Peak 6002 from nnoeabs.peaks (8.38, 8.38, 117.61 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H HIS 3 + H HIS 3 OK 100 100 - 100 Peak 6003 from nnoeabs.peaks (3.89, 8.38, 117.61 ppm; 3.84 A): 2 out of 6 assignments used, quality = 1.00: HA3 GLY 2 + H HIS 3 OK 100 100 - 100 - 3.6=100 * HA2 GLY 2 + H HIS 3 OK 100 100 - 100 - 3.6=100 HA ALA 46 - H HIS 3 lone 1 99 - 1 - HB3 SER 50 - H HIS 3 lone 1 92 - 1 - HA LYS 86 - H HIS 3 lone 0 87 - 1 - HB2 SER 94 - H HIS 3 lone 0 65 - 1 - Peak 6004 from nnoeabs.peaks (3.89, 8.38, 117.61 ppm; 3.84 A): 2 out of 6 assignments used, quality = 1.00: * HA3 GLY 2 + H HIS 3 OK 100 100 - 100 - 3.6=100 HA2 GLY 2 + H HIS 3 OK 100 100 - 100 - 3.6=100 HA ALA 46 - H HIS 3 lone 1 99 - 1 - HB3 SER 50 - H HIS 3 lone 1 92 - 1 - HA LYS 86 - H HIS 3 lone 0 87 - 1 - HB2 SER 94 - H HIS 3 lone 0 65 - 1 - Peak 6005 from nnoeabs.peaks (4.61, 8.38, 117.61 ppm; 4.33 A): 1 out of 1 assignment used, quality = 1.00: * HA HIS 3 + H HIS 3 OK 100 100 - 100 - 2.9=100 Peak 6006 from nnoeabs.peaks (3.02, 8.38, 117.61 ppm; 4.38 A): 1 out of 2 assignments used, quality = 1.00: * HB2 HIS 3 + H HIS 3 OK 100 100 - 100 - 4.0=100 HB2 TYR 72 - H HIS 3 lone 6 99 - 5 - 14/2.9=3, 24/4.0=1 Peak 6007 from nnoeabs.peaks (3.15, 8.38, 117.61 ppm; 5.52 A): 1 out of 3 assignments used, quality = 1.00: * HB3 HIS 3 + H HIS 3 OK 100 100 - 100 - 4.0=100 HB3 HIS 7 - H HIS 3 lone 4 100 - 4 - 15/2.9=2 HB2 HIS 6 - H HIS 3 lone 3 99 - 3 - 15/2.9=1 Peak 6009 from nnoeabs.peaks (8.52, 8.52, 118.99 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H HIS 4 + H HIS 4 OK 100 100 - 100 Peak 6010 from nnoeabs.peaks (8.38, 8.52, 118.99 ppm; 5.68 A): 1 out of 6 assignments used, quality = 1.00: * H HIS 3 + H HIS 4 OK 100 100 - 100 - 4.7=100 H THR 65 - H HIS 4 lone 2 100 - 2 - H ASP 35 - H HIS 4 lone 1 81 - 2 - H LYS 26 - H HIS 4 lone 1 65 - 2 - H GLN 27 - H HIS 4 lone 1 65 - 2 - H LYS 24 - H HIS 4 lone 1 57 - 2 - Peak 6011 from nnoeabs.peaks (4.61, 8.52, 118.99 ppm; 4.33 A): 1 out of 1 assignment used, quality = 1.00: * HA HIS 3 + H HIS 4 OK 100 100 - 100 - 3.6=100 Peak 6014 from nnoeabs.peaks (4.64, 8.52, 118.99 ppm; 4.60 A): 1 out of 3 assignments used, quality = 1.00: * HA HIS 4 + H HIS 4 OK 100 100 - 100 - 2.9=100 HA HIS 7 - H HIS 4 OK 20 87 - 23 - 38/4.0=5, 33/4.0=5...(9) HA HIS 6 - H HIS 4 lone 9 99 - 9 - 38/4.0=2, 33/4.0=2...(4) Peak 6017 from nnoeabs.peaks (8.53, 8.52, 118.99 ppm; diagonal): 1 out of 1 assignment used, quality = 0.81: H HIS 4 + H HIS 4 OK 81 81 - 100 Reference assignment not found: H HIS 5 - H HIS 4 Peak 6018 from nnoeabs.peaks (8.53, 8.53, 121.63 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H HIS 5 + H HIS 5 OK 100 100 - 100 Peak 6019 from nnoeabs.peaks (8.52, 8.53, 121.63 ppm; diagonal): 1 out of 1 assignment used, quality = 0.81: H HIS 5 + H HIS 5 OK 81 81 - 100 Reference assignment not found: H HIS 4 - H HIS 5 Peak 6023 from nnoeabs.peaks (4.41, 8.53, 121.63 ppm; 6.80 A): 1 out of 3 assignments used, quality = 1.00: * HA HIS 5 + H HIS 5 OK 100 100 - 100 - 2.9=100 HA ASP 71 - H HIS 5 lone 5 92 - 5 - HA THR 115 - H HIS 5 lone 2 57 - 3 - Peak 6026 from nnoeabs.peaks (8.69, 8.69, 121.41 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H HIS 7 + H HIS 7 OK 100 100 - 100 Peak 6027 from nnoeabs.peaks (4.64, 8.69, 121.41 ppm; 3.39 A): 2 out of 3 assignments used, quality = 0.98: * HA HIS 6 + H HIS 7 OK 92 100 - 92 - 3.6=86, 3.0/65=19...(8) HA HIS 7 + H HIS 7 OK 73 73 - 100 - 2.9=100 HA HIS 4 - H HIS 7 OK 19 99 - 19 - 57=6, 3.0/6031=3, ~38=2...(10) Peak 6028 from nnoeabs.peaks (3.16, 8.69, 121.41 ppm; 3.96 A): 3 out of 4 assignments used, quality = 1.00: HB3 HIS 7 + H HIS 7 OK 99 99 - 100 - 3.9=100 * HB2 HIS 6 + H HIS 7 OK 91 100 - 91 - 4.4=74, 1.8/65=33...(7) HB3 HIS 6 + H HIS 7 OK 59 65 - 90 - 4.4=74, 1.8/61=32...(6) HB3 HIS 3 - H HIS 7 lone 2 99 - 2 - Peak 6029 from nnoeabs.peaks (3.17, 8.69, 121.41 ppm; 3.96 A): 2 out of 7 assignments used, quality = 0.96: * HB3 HIS 6 + H HIS 7 OK 90 100 - 90 - 4.4=74, 1.8/61=32...(6) HB2 HIS 6 + H HIS 7 OK 59 65 - 90 - 4.4=74, 1.8/65=33...(7) HD3 ARG 90 - H HIS 7 lone 1 96 - 1 - HD2 ARG 90 - H HIS 7 lone 1 87 - 1 - HD3 ARG 23 - H HIS 7 lone 1 98 - 1 - HD2 ARG 23 - H HIS 7 lone 1 98 - 1 - HB2 HIS 10 - H HIS 7 lone 0 65 - 1 - Peak 6030 from nnoeabs.peaks (4.65, 8.69, 121.41 ppm; 3.21 A): 2 out of 3 assignments used, quality = 1.00: * HA HIS 7 + H HIS 7 OK 100 100 - 100 - 2.9=100 HA HIS 6 + H HIS 7 OK 61 73 - 83 - 3.6=73, 3.0/65=17...(9) HA HIS 4 - H HIS 7 OK 14 87 - 16 - 57=4, 3.0/6031=3...(7) Peak 6031 from nnoeabs.peaks (3.11, 8.69, 121.41 ppm; 4.34 A): 1 out of 2 assignments used, quality = 1.00: * HB2 HIS 7 + H HIS 7 OK 100 100 - 100 - 3.9=100 HB2 HIS 4 - H HIS 7 OK 18 87 - 20 - 3.0/57=5, 68/2.9=5...(6) Peak 6032 from nnoeabs.peaks (3.15, 8.69, 121.41 ppm; 3.96 A): 2 out of 3 assignments used, quality = 1.00: * HB3 HIS 7 + H HIS 7 OK 100 100 - 100 - 3.9=100 HB2 HIS 6 + H HIS 7 OK 91 99 - 91 - 4.4=74, 1.8/65=33...(7) HB3 HIS 3 - H HIS 7 lone 2 100 - 2 - Peak 6034 from nnoeabs.peaks (8.66, 8.66, 120.36 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H HIS 8 + H HIS 8 OK 100 100 - 100 Peak 6036 from nnoeabs.peaks (4.65, 8.66, 120.36 ppm; 3.27 A): 2 out of 3 assignments used, quality = 0.86: * HA HIS 7 + H HIS 8 OK 84 100 - 84 - 3.6=77, 3.0/6037=17, 3.0/80=16 HA HIS 6 + H HIS 8 OK 11 73 - 16 - 57/4.7=7, 3.0/6038=5...(4) HA HIS 4 - H HIS 8 lone 6 87 - 6 - 3.0/6037=2, 77/4.6=1...(4) Peak 6037 from nnoeabs.peaks (3.11, 8.66, 120.36 ppm; 4.10 A): 2 out of 2 assignments used, quality = 0.88: * HB2 HIS 7 + H HIS 8 OK 87 100 - 87 - 4.6=71, 68/3.6=32, 1.8/80=32 HB2 HIS 4 + H HIS 8 OK 10 87 - 12 - 68/3.6=4, 6031/4.7=3...(4) Peak 6038 from nnoeabs.peaks (3.15, 8.66, 120.36 ppm; 4.18 A): 2 out of 3 assignments used, quality = 0.93: * HB3 HIS 7 + H HIS 8 OK 89 100 - 89 - 4.6=75, 1.8/6037=35, 3.0/6036=32 HB2 HIS 6 + H HIS 8 OK 36 99 - 36 - 61/4.7=20, 69/3.6=12...(4) HB3 HIS 3 - H HIS 8 lone 2 100 - 2 - Peak 6039 from nnoeabs.peaks (4.70, 8.66, 120.36 ppm; 4.12 A): 1 out of 2 assignments used, quality = 1.00: * HA HIS 8 + H HIS 8 OK 100 100 - 100 - 2.9=100 HA HIS 10 - H HIS 8 poor 9 73 - 12 - 6045/4.7=5, 92/4.0=2...(4) Peak 6040 from nnoeabs.peaks (3.13, 8.66, 120.36 ppm; 4.36 A): 1 out of 3 assignments used, quality = 1.00: * HB2 HIS 8 + H HIS 8 OK 100 100 - 100 - 4.0=100 HB3 TYR 76 - H HIS 8 lone 4 96 - 4 - 83/2.9=2, 6046/4.7=1 HB3 CYS 45 - H HIS 8 lone 4 98 - 4 - 83/2.9=1 Peak 6043 from nnoeabs.peaks (8.49, 8.49, 118.11 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H SER 9 + H SER 9 OK 100 100 - 100 Peak 6045 from nnoeabs.peaks (4.70, 8.49, 118.11 ppm; 2.75 A): 2 out of 2 assignments used, quality = 0.65: * HA HIS 8 + H SER 9 OK 59 100 - 59 - 3.6=46, 2.9/6047=13, 2.9/6046=12 HA HIS 10 + H SER 9 OK 15 73 - 20 - 3.0/6051=10, ~100=5, ~6054=5 Peak 6046 from nnoeabs.peaks (3.13, 8.49, 118.11 ppm; 4.12 A): 1 out of 3 assignments used, quality = 0.89: * HB2 HIS 8 + H SER 9 OK 89 100 - 89 - 4.6=70, 1.8/6047=39, 2.9/85=39 HB3 TYR 76 - H SER 9 lone 4 96 - 4 - 83/3.6=1 HB3 CYS 45 - H SER 9 lone 3 98 - 3 - 83/3.6=1 Peak 6047 from nnoeabs.peaks (3.21, 8.49, 118.11 ppm; 3.98 A): 1 out of 2 assignments used, quality = 0.84: * HB3 HIS 8 + H SER 9 OK 84 100 - 85 - 4.6=63, 2.9/85=37, 1.8/6046=33 HB3 CYS 125 - H SER 9 lone 1 92 - 1 - Peak 6048 from nnoeabs.peaks (4.39, 8.49, 118.11 ppm; 3.44 A): 1 out of 6 assignments used, quality = 1.00: * HA SER 9 + H SER 9 OK 100 100 - 100 - 3.0=100 HA SER 33 - H SER 9 OK 13 98 - 13 - 96=5, 6054/4.7=1, ~941=1, ~946=1 HA SER 107 - H SER 9 lone 1 87 - 1 - HA THR 115 - H SER 9 lone 1 81 - 1 - HA CYS 73 - H SER 9 lone 1 65 - 1 - HA ASP 78 - H SER 9 lone 0 57 - 1 - Peak 6049 from nnoeabs.peaks (3.80, 8.49, 118.11 ppm; 3.13 A): 2 out of 3 assignments used, quality = 0.90: * HB2 SER 9 + H SER 9 OK 69 100 - 69 - 4.0=48, 99/3.0=13...(6) HB3 SER 9 + H SER 9 OK 69 100 - 69 - 4.0=48, 99/3.0=13...(6) HA ARG 90 - H SER 9 lone 0 57 - 1 - Peak 6050 from nnoeabs.peaks (3.80, 8.49, 118.11 ppm; 3.13 A): 2 out of 2 assignments used, quality = 0.90: * HB3 SER 9 + H SER 9 OK 69 100 - 69 - 4.0=48, 99/3.0=13...(6) HB2 SER 9 + H SER 9 OK 69 100 - 69 - 4.0=48, 99/3.0=13...(6) Peak 6051 from nnoeabs.peaks (8.71, 8.49, 118.11 ppm; 4.53 A): 1 out of 1 assignment used, quality = 0.97: * H HIS 10 + H SER 9 OK 97 100 - 97 - 4.7=92, 6054/3.0=42...(6) Peak 6052 from nnoeabs.peaks (8.71, 8.71, 120.74 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H HIS 10 + H HIS 10 OK 100 100 - 100 Peak 6053 from nnoeabs.peaks (8.49, 8.71, 120.74 ppm; 4.86 A): 1 out of 2 assignments used, quality = 1.00: * H SER 9 + H HIS 10 OK 100 100 - 100 - 4.7=100 H LEU 100 - H HIS 10 lone 5 100 - 5 - 96/3.6=3 Peak 6054 from nnoeabs.peaks (4.39, 8.71, 120.74 ppm; 2.80 A): 1 out of 6 assignments used, quality = 0.61: * HA SER 9 + H HIS 10 OK 61 100 - 61 - 3.6=48, 3.0/6051=11...(5) HA SER 33 - H HIS 10 lone 5 98 - 5 - 100=2, 6048/4.7=1 HA CYS 73 - H HIS 10 lone 1 65 - 1 - HA SER 107 - H HIS 10 lone 0 87 - 0 - HA THR 115 - H HIS 10 lone 0 81 - 0 - HA ASP 78 - H HIS 10 lone 0 57 - 0 - Peak 6055 from nnoeabs.peaks (3.80, 8.71, 120.74 ppm; 3.74 A): 2 out of 3 assignments used, quality = 0.96: * HB2 SER 9 + H HIS 10 OK 81 100 - 81 - 4.5=58, 3.0/6054=33...(5) HB3 SER 9 + H HIS 10 OK 81 100 - 81 - 4.5=58, 3.0/6054=33...(5) HA ARG 90 - H HIS 10 lone 3 57 - 5 - 11757/4.7=2, 5.2/6058=1 Peak 6056 from nnoeabs.peaks (3.80, 8.71, 120.74 ppm; 3.74 A): 2 out of 2 assignments used, quality = 0.96: * HB3 SER 9 + H HIS 10 OK 81 100 - 81 - 4.5=58, 3.0/6054=33...(5) HB2 SER 9 + H HIS 10 OK 81 100 - 81 - 4.5=58, 3.0/6054=33...(5) Peak 6057 from nnoeabs.peaks (4.69, 8.71, 120.74 ppm; 3.10 A): 1 out of 2 assignments used, quality = 1.00: * HA HIS 10 + H HIS 10 OK 100 100 - 100 - 3.0=100 HA HIS 8 - H HIS 10 OK 12 73 - 16 - 3.6/6051=13 Peak 6058 from nnoeabs.peaks (3.17, 8.71, 120.74 ppm; 3.39 A): 1 out of 6 assignments used, quality = 0.75: * HB2 HIS 10 + H HIS 10 OK 75 100 - 75 - 4.0=60, 1.8/6059=27, 4.7/6062=13 HD2 ARG 90 - H HIS 10 lone 6 98 - 6 - 113/3.0=2, 6064/4.7=1 HD3 ARG 90 - H HIS 10 lone 5 92 - 5 - 113/3.0=1, 6064/4.7=1 HD3 ARG 23 - H HIS 10 lone 1 87 - 1 - HD2 ARG 23 - H HIS 10 lone 1 87 - 1 - HB3 HIS 6 - H HIS 10 lone 0 65 - 1 - Peak 6059 from nnoeabs.peaks (3.25, 8.71, 120.74 ppm; 3.84 A): 1 out of 2 assignments used, quality = 0.93: * HB3 HIS 10 + H HIS 10 OK 93 100 - 94 - 4.0=87, 1.8/116=37, 6065/4.7=18 HA VAL 93 - H HIS 10 lone 7 96 - 7 - 114/3.0=4, 119/4.0=2, 6065/4.7=1 Peak 6060 from nnoeabs.peaks (8.41, 8.71, 120.74 ppm; 3.99 A): 1 out of 2 assignments used, quality = 0.88: * H MET 11 + H HIS 10 OK 88 100 - 88 - 4.7=63, 6063/3.0=41...(6) H SER 74 - H HIS 10 lone 5 87 - 5 - 125/4.0=1, 115/3.0=1, 120/4.0=1 Peak 6061 from nnoeabs.peaks (8.41, 8.41, 122.27 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H MET 11 + H MET 11 OK 100 100 - 100 Peak 6062 from nnoeabs.peaks (8.71, 8.41, 122.27 ppm; 4.15 A): 1 out of 1 assignment used, quality = 0.92: * H HIS 10 + H MET 11 OK 92 100 - 92 - 4.7=71, 3.0/6063=43...(6) Peak 6063 from nnoeabs.peaks (4.69, 8.41, 122.27 ppm; 2.63 A): 1 out of 2 assignments used, quality = 0.58: * HA HIS 10 + H MET 11 OK 58 100 - 58 - 3.6=40, 3.0/6065=12...(4) HA HIS 8 - H MET 11 lone 1 73 - 2 - Peak 6064 from nnoeabs.peaks (3.17, 8.41, 122.27 ppm; 3.96 A): 3 out of 6 assignments used, quality = 0.91: * HB2 HIS 10 + H MET 11 OK 89 100 - 89 - 4.7=62, 3.0/6063=40...(4) HD2 ARG 90 + H MET 11 OK 12 98 - 12 - 3.0/6068=3, 5.2/11757=3...(4) HD3 ARG 90 + H MET 11 OK 10 92 - 11 - 3.0/6068=3, 5.2/11757=3...(4) HD3 ARG 23 - H MET 11 lone 2 87 - 2 - HD2 ARG 23 - H MET 11 lone 2 87 - 2 - HB3 HIS 6 - H MET 11 lone 1 65 - 1 - Peak 6065 from nnoeabs.peaks (3.25, 8.41, 122.27 ppm; 3.76 A): 1 out of 2 assignments used, quality = 0.82: * HB3 HIS 10 + H MET 11 OK 82 100 - 83 - 4.7=53, 3.0/6063=37...(4) HA VAL 93 - H MET 11 lone 6 96 - 6 - 114/3.6=3, 119/4.7=1, 6059/4.7=1 Peak 6066 from nnoeabs.peaks (4.42, 8.41, 122.27 ppm; 3.09 A): 1 out of 5 assignments used, quality = 1.00: * HA MET 11 + H MET 11 OK 100 100 - 100 - 2.9=100 HA VAL 112 - H MET 11 OK 12 100 - 12 - 11494/4.0=3, 141/4.0=2...(4) HA ASP 71 - H MET 11 lone 7 81 - 8 - 3.6/6986=1, 2281=1 HA ASN 120 - H MET 11 lone 6 99 - 6 - 141/4.0=1, 134/4.0=1 HA THR 54 - H MET 11 lone 6 100 - 6 - 141/4.0=1, 134/4.0=1 Peak 6067 from nnoeabs.peaks (1.92, 8.41, 122.27 ppm; 2.93 A): 1 out of 4 assignments used, quality = 0.66: * HB2 MET 11 + H MET 11 OK 66 100 - 66 - 4.0=38, 1.8/140=18...(5) HG2 PRO 113 - H MET 11 poor 8 65 - 13 - 128/2.9=3, ~11510=2...(6) HB3 LEU 49 - H MET 11 lone 3 81 - 4 - 128/2.9=1 HB3 LEU 123 - H MET 11 lone 1 35 - 1 - Peak 6068 from nnoeabs.peaks (2.02, 8.41, 122.27 ppm; 3.39 A): 3 out of 7 assignments used, quality = 0.89: * HB3 MET 11 + H MET 11 OK 84 100 - 84 - 4.0=59, 1.8/6067=35...(5) HB VAL 63 + H MET 11 OK 18 100 - 19 - 129/2.9=6, 136/4.0=5...(5) HG2 ARG 90 + H MET 11 OK 12 100 - 12 - 3.8/11757=3, 3.0/6064=2...(4) HB2 GLN 134 - H MET 11 lone 3 99 - 3 - HG2 PRO 58 - H MET 11 lone 3 96 - 3 - HB3 GLU 30 - H MET 11 lone 3 98 - 3 - HB2 GLU 44 - H MET 11 lone 2 100 - 2 - Peak 6069 from nnoeabs.peaks (2.47, 8.41, 122.27 ppm; 3.69 A): 2 out of 3 assignments used, quality = 0.80: * HG2 MET 11 + H MET 11 OK 78 100 - 78 - 4.9=42, 2.9/6067=30...(4) HG2 GLU 55 + H MET 11 OK 12 100 - 12 - 130/2.9=4, 144/4.0=3...(5) HG3 GLN 104 - H MET 11 lone 4 81 - 5 - 144/4.0=2, 130/2.9=1, 137/4.0=1 Peak 6070 from nnoeabs.peaks (2.52, 8.41, 122.27 ppm; 3.92 A): 2 out of 2 assignments used, quality = 0.89: * HG3 MET 11 + H MET 11 OK 85 100 - 85 - 4.9=51, 1.8/6069=34...(5) HG3 GLU 102 + H MET 11 OK 26 100 - 26 - 131/2.9=7, 145/4.0=6...(6) Peak 6072 from nnoeabs.peaks (8.44, 8.44, 125.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 12 + H ALA 12 OK 100 100 - 100 Peak 6074 from nnoeabs.peaks (4.42, 8.44, 125.95 ppm; 2.50 A): 1 out of 5 assignments used, quality = 0.52: * HA MET 11 + H ALA 12 OK 52 100 - 52 - 3.6=34, 3.0/6075=9...(6) HA VAL 112 - H ALA 12 lone 4 100 - 4 - 11494/4.4=1, 141/4.4=1 HA ASP 71 - H ALA 12 lone 2 81 - 3 - 3.0/11120=1 HA THR 54 - H ALA 12 lone 2 100 - 2 - HA ASN 120 - H ALA 12 lone 2 99 - 2 - Peak 6075 from nnoeabs.peaks (1.92, 8.44, 125.95 ppm; 3.98 A): 1 out of 4 assignments used, quality = 0.91: * HB2 MET 11 + H ALA 12 OK 91 100 - 91 - 4.4=72, 3.0/6074=36...(6) HG2 PRO 113 - H ALA 12 poor 7 65 - 11 - 128/3.6=5, 6067/4.6=3, 142/4.4=2 HB3 LEU 49 - H ALA 12 lone 4 81 - 5 - 128/3.6=2, 142/4.4=1, 6067/4.6=1 HB3 LEU 123 - H ALA 12 lone 0 35 - 1 - Peak 6076 from nnoeabs.peaks (2.02, 8.44, 125.95 ppm; 3.55 A): 2 out of 7 assignments used, quality = 0.84: * HB3 MET 11 + H ALA 12 OK 81 100 - 81 - 4.4=51, 3.0/6074=31...(6) HB VAL 63 + H ALA 12 OK 15 100 - 15 - 129/3.6=5, 136/4.4=4...(4) HG2 ARG 90 - H ALA 12 lone 6 100 - 6 - 6068/4.6=2, 129/3.6=1 HB2 GLN 134 - H ALA 12 lone 5 99 - 5 - 10653/4.3=3 HB3 GLU 30 - H ALA 12 lone 2 98 - 2 - HG2 PRO 58 - H ALA 12 lone 2 96 - 2 - HB2 GLU 44 - H ALA 12 lone 2 100 - 2 - Peak 6078 from nnoeabs.peaks (2.52, 8.44, 125.95 ppm; 6.25 A): 2 out of 2 assignments used, quality = 0.92: * HG3 MET 11 + H ALA 12 OK 87 100 - 87 - 2.9/6075=44, 4.0/6074=42...(4) HG3 GLU 102 + H ALA 12 OK 41 100 - 41 - 145/4.4=13, 138/4.4=13...(4) Peak 6079 from nnoeabs.peaks (4.28, 8.44, 125.95 ppm; 3.09 A): 1 out of 15 assignments used, quality = 1.00: * HA ALA 12 + H ALA 12 OK 100 100 - 100 - 3.0=100 HA THR 18 - H ALA 12 OK 12 81 - 15 - 10686/2.9=6, ~10683=3, ~10688=3 HA ARG 23 - H ALA 12 lone 3 100 - 3 - HA ALA 15 - H ALA 12 lone 2 100 - 2 - HA ALA 21 - H ALA 12 lone 2 92 - 2 - HA ALA 110 - H ALA 12 lone 1 100 - 1 - HA GLN 61 - H ALA 12 lone 1 96 - 1 - HA LEU 22 - H ALA 12 lone 1 73 - 1 - HA THR 25 - H ALA 12 lone 1 87 - 1 - HA SER 74 - H ALA 12 lone 1 87 - 1 - HA LYS 31 - H ALA 12 lone 0 73 - 1 - HA ALA 16 - H ALA 12 lone 0 65 - 1 - HA ALA 108 - H ALA 12 lone 0 73 - 0 - HA ALA 109 - H ALA 12 lone 0 73 - 0 - HA LYS 36 - H ALA 12 lone 0 57 - 0 - Peak 6080 from nnoeabs.peaks (1.36, 8.44, 125.95 ppm; 2.75 A): 1 out of 2 assignments used, quality = 0.90: * QB ALA 12 + H ALA 12 OK 90 100 - 90 - 2.9=83, 2.1/161=20...(9) HG2 LYS 19 - H ALA 12 lone 4 92 - 4 - 6085/4.3=2, 163/3.0=1 Peak 6082 from nnoeabs.peaks (8.44, 8.44, 118.33 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASN 13 + H ASN 13 OK 100 100 - 100 Peak 6084 from nnoeabs.peaks (4.28, 8.44, 118.33 ppm; 2.65 A): 1 out of 15 assignments used, quality = 0.56: * HA ALA 12 + H ASN 13 OK 56 100 - 56 - 3.6=41, 2.1/6085=18...(5) HA THR 18 - H ASN 13 lone 4 81 - 5 - 10686/3.7=4 HA ARG 23 - H ASN 13 lone 3 100 - 3 - 11760/4.7=1, 3.6/6091=1 HA ALA 15 - H ASN 13 lone 2 100 - 2 - 11760/4.7=2 HA THR 25 - H ASN 13 lone 1 87 - 1 - HA ALA 21 - H ASN 13 lone 1 92 - 1 - HA ALA 110 - H ASN 13 lone 1 100 - 1 - HA GLN 61 - H ASN 13 lone 0 96 - 0 - HA SER 74 - H ASN 13 lone 0 87 - 0 - HA LEU 22 - H ASN 13 lone 0 73 - 0 - HA LYS 31 - H ASN 13 lone 0 73 - 0 - HA ALA 108 - H ASN 13 lone 0 73 - 0 - HA ALA 109 - H ASN 13 lone 0 73 - 0 - HA ALA 16 - H ASN 13 lone 0 65 - 0 - HA LYS 36 - H ASN 13 lone 0 57 - 0 - Peak 6085 from nnoeabs.peaks (1.36, 8.44, 118.33 ppm; 3.26 A): 2 out of 2 assignments used, quality = 0.88: * QB ALA 12 + H ASN 13 OK 85 100 - 85 - 3.7=70, 2.1/6084=31...(7) HG2 LYS 19 + H ASN 13 OK 15 92 - 16 - 10657/5.6=4, 11759/4.1=3...(6) Peak 6086 from nnoeabs.peaks (4.66, 8.44, 118.33 ppm; 3.11 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 13 + H ASN 13 OK 100 100 - 100 - 3.0=100 HA PRO 56 - H ASN 13 lone 3 87 - 3 - Peak 6087 from nnoeabs.peaks (2.81, 8.44, 118.33 ppm; 3.29 A): 1 out of 3 assignments used, quality = 0.74: * HB2 ASN 13 + H ASN 13 OK 74 100 - 74 - 4.1=52, 1.8/6088=34...(4) HB3 ASP 71 - H ASN 13 lone 10 100 - 10 - 171/3.0=3, 2129/11039=2...(4) HB3 ASN 85 - H ASN 13 lone 2 73 - 2 - Peak 6088 from nnoeabs.peaks (2.77, 8.44, 118.33 ppm; 3.15 A): 1 out of 2 assignments used, quality = 0.69: * HB3 ASN 13 + H ASN 13 OK 69 100 - 69 - 4.1=46, 1.8/6087=28...(5) HB2 ASP 131 - H ASN 13 lone 7 100 - 6 - 172/3.0=2, 179/4.1=1 Peak 6090 from nnoeabs.peaks (6.90, 8.44, 118.33 ppm; 6.22 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 13 + H ASN 13 OK 100 100 - 100 - 5.6=100 Peak 6091 from nnoeabs.peaks (8.37, 8.44, 118.33 ppm; 3.33 A): 1 out of 3 assignments used, quality = 0.73: * H GLY 14 + H ASN 13 OK 73 100 - 73 - 4.7=37, 6106/3.0=29...(6) H LYS 24 - H ASN 13 lone 6 98 - 6 - 175/3.0=2, 182/4.1=1...(4) H LYS 26 - H ASN 13 lone 4 96 - 4 - 175/3.0=1 Peak 6092 from nnoeabs.peaks (7.60, 7.60, 112.82 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 13 + HD21 ASN 13 OK 100 100 - 100 Peak 6095 from nnoeabs.peaks (2.81, 7.60, 112.82 ppm; 3.61 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ASN 13 + HD21 ASN 13 OK 100 100 - 100 - 3.5=100 HB3 ASP 71 - HD21 ASN 13 lone 9 100 - 9 - 6101/1.7=3, 171/4.4=2...(4) HB3 ASN 85 - HD21 ASN 13 lone 2 73 - 3 - Peak 6096 from nnoeabs.peaks (2.77, 7.60, 112.82 ppm; 3.47 A): 1 out of 2 assignments used, quality = 0.96: * HB3 ASN 13 + HD21 ASN 13 OK 96 100 - 96 - 3.5=95, 6088/5.6=10 HB2 ASP 131 - HD21 ASN 13 lone 8 100 - 8 - 6102/1.7=3, 179/3.5=2...(4) Peak 6097 from nnoeabs.peaks (6.90, 7.60, 112.82 ppm; 2.50 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 13 + HD21 ASN 13 OK 100 100 - 100 - 1.7=100 Peak 6098 from nnoeabs.peaks (6.90, 6.90, 112.82 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 13 + HD22 ASN 13 OK 100 100 - 100 Peak 6101 from nnoeabs.peaks (2.81, 6.90, 112.82 ppm; 4.33 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ASN 13 + HD22 ASN 13 OK 100 100 - 100 - 3.5=100 HB3 ASP 71 - HD22 ASN 13 OK 13 100 - 13 - 6095/1.7=4, 171/4.4=3...(4) HB3 ASN 85 - HD22 ASN 13 lone 3 73 - 4 - Peak 6102 from nnoeabs.peaks (2.77, 6.90, 112.82 ppm; 4.13 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASN 13 + HD22 ASN 13 OK 100 100 - 100 - 3.5=100 HB2 ASP 131 - HD22 ASN 13 OK 12 100 - 11 - 6096/1.7=4, 179/3.5=3...(4) Peak 6103 from nnoeabs.peaks (7.60, 6.90, 112.82 ppm; 2.50 A): 1 out of 2 assignments used, quality = 1.00: * HD21 ASN 13 + HD22 ASN 13 OK 100 100 - 100 - 1.7=100 HD21 ASN 120 - HD22 ASN 13 lone 1 87 - 1 - Peak 6104 from nnoeabs.peaks (8.37, 8.37, 109.62 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLY 14 + H GLY 14 OK 100 100 - 100 Peak 6106 from nnoeabs.peaks (4.66, 8.37, 109.62 ppm; 2.91 A): 1 out of 2 assignments used, quality = 0.73: * HA ASN 13 + H GLY 14 OK 73 100 - 73 - 3.6=54, 3.0/6091=17...(5) HA PRO 56 - H GLY 14 lone 1 87 - 2 - Peak 6107 from nnoeabs.peaks (2.81, 8.37, 109.62 ppm; 4.07 A): 2 out of 3 assignments used, quality = 0.93: * HB2 ASN 13 + H GLY 14 OK 92 100 - 92 - 4.5=75, 3.0/6106=39...(4) HB3 ASP 71 + H GLY 14 OK 12 100 - 11 - 171/3.6=4, 6087/4.7=3...(5) HB3 ASN 85 - H GLY 14 lone 2 73 - 3 - Peak 6108 from nnoeabs.peaks (2.77, 8.37, 109.62 ppm; 4.09 A): 1 out of 2 assignments used, quality = 0.93: * HB3 ASN 13 + H GLY 14 OK 93 100 - 93 - 4.5=76, 3.0/6106=39...(4) HB2 ASP 131 - H GLY 14 lone 8 100 - 8 - 172/3.6=3, 6088/4.7=2, 179/4.5=2 Peak 6111 from nnoeabs.peaks (3.92, 8.37, 109.62 ppm; 2.69 A): 2 out of 5 assignments used, quality = 0.95: * HA2 GLY 14 + H GLY 14 OK 78 100 - 78 - 3.0=76, 3.6/6113=9 HA3 GLY 14 + H GLY 14 OK 78 100 - 78 - 3.0=76, 3.6/6113=9 HB2 SER 107 - H GLY 14 lone 1 96 - 1 - HB2 SER 33 - H GLY 14 lone 1 81 - 1 - HA ALA 41 - H GLY 14 lone 0 65 - 0 - Peak 6112 from nnoeabs.peaks (3.92, 8.37, 109.62 ppm; 2.69 A): 2 out of 4 assignments used, quality = 0.95: * HA3 GLY 14 + H GLY 14 OK 78 100 - 78 - 3.0=76, 3.6/6113=9 HA2 GLY 14 + H GLY 14 OK 78 100 - 78 - 3.0=76, 3.6/6113=9 HB2 SER 107 - H GLY 14 lone 1 98 - 1 - HB2 SER 33 - H GLY 14 lone 1 73 - 1 - Peak 6113 from nnoeabs.peaks (8.14, 8.37, 109.62 ppm; 4.17 A): 1 out of 5 assignments used, quality = 0.86: * H ALA 15 + H GLY 14 OK 86 100 - 86 - 4.6=74, 6117/3.0=20...(6) H ASP 71 - H GLY 14 lone 6 92 - 7 - 4.0/6107=3, 6968/4.5=2 H LEU 22 - H GLY 14 lone 4 87 - 5 - 4.6/6209=2 H ILE 32 - H GLY 14 lone 3 99 - 3 - H VAL 133 - H GLY 14 lone 2 98 - 2 - Peak 6114 from nnoeabs.peaks (8.14, 8.14, 123.81 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 15 + H ALA 15 OK 100 100 - 100 Peak 6115 from nnoeabs.peaks (8.37, 8.14, 123.81 ppm; 4.22 A): 2 out of 3 assignments used, quality = 0.91: * H GLY 14 + H ALA 15 OK 88 100 - 88 - 4.6=77, 3.0/6117=21...(6) H LYS 24 + H ALA 15 OK 25 98 - 26 - 3.6/10728=15, 4.5/6195=3...(4) H LYS 26 - H ALA 15 lone 8 96 - 9 - 424/10728=3 Peak 6116 from nnoeabs.peaks (3.92, 8.14, 123.81 ppm; 2.86 A): 2 out of 5 assignments used, quality = 0.89: * HA2 GLY 14 + H ALA 15 OK 67 100 - 67 - 3.6=52, 1.8/197=13...(7) HA3 GLY 14 + H ALA 15 OK 67 100 - 67 - 3.6=52, 1.8/193=13...(7) HB2 SER 107 - H ALA 15 lone 2 96 - 2 - 10675/4.6=2 HB2 SER 33 - H ALA 15 lone 1 81 - 2 - 4.0/6359=1 HA ALA 41 - H ALA 15 lone 0 65 - 0 - Peak 6117 from nnoeabs.peaks (3.92, 8.14, 123.81 ppm; 2.86 A): 2 out of 4 assignments used, quality = 0.89: * HA3 GLY 14 + H ALA 15 OK 67 100 - 67 - 3.6=52, 1.8/193=13...(7) HA2 GLY 14 + H ALA 15 OK 67 100 - 67 - 3.6=52, 1.8/197=13...(7) HB2 SER 107 - H ALA 15 lone 3 98 - 3 - 10675/4.6=2 HB2 SER 33 - H ALA 15 lone 1 73 - 2 - 4.0/6359=1 Peak 6118 from nnoeabs.peaks (4.28, 8.14, 123.81 ppm; 3.45 A): 1 out of 15 assignments used, quality = 1.00: * HA ALA 15 + H ALA 15 OK 100 100 - 100 - 3.0=100 HA ARG 23 - H ALA 15 OK 32 100 - 33 - 10728=21, 3.6/6115=4...(5) HA ALA 16 - H ALA 15 OK 26 65 - 40 - 3.0/6122=12, ~201=9...(10) HA LYS 31 - H ALA 15 OK 20 73 - 27 - 3.0/6339=5, 798=5...(8) HA LEU 22 - H ALA 15 OK 12 73 - 16 - 3.6/6195=3, 2.9/384=2...(7) HA ALA 110 - H ALA 15 lone 9 100 - 9 - 2.1/6119=2, 3532/2.9=1 HA ALA 21 - H ALA 15 lone 6 92 - 7 - 2.1/367=2, 363=1, 3.0/6182=1 HA ALA 12 - H ALA 15 lone 5 100 - 5 - 11760/4.6=3 HA THR 25 - H ALA 15 lone 3 87 - 4 - 3.6/6115=1 HA ALA 108 - H ALA 15 lone 3 73 - 4 - 2.1/6119=1 HA ALA 109 - H ALA 15 lone 2 73 - 3 - HA SER 74 - H ALA 15 lone 2 87 - 2 - HA LYS 36 - H ALA 15 lone 2 57 - 3 - HA GLN 61 - H ALA 15 lone 2 96 - 2 - HA THR 18 - H ALA 15 lone 1 81 - 1 - Peak 6119 from nnoeabs.peaks (1.38, 8.14, 123.81 ppm; 2.95 A): 1 out of 15 assignments used, quality = 1.00: * QB ALA 15 + H ALA 15 OK 100 100 - 100 - 2.9=100 HG3 LYS 31 - H ALA 15 OK 13 73 - 19 - 3.0/809=3, 3.8/798=3...(8) QB ALA 110 - H ALA 15 lone 9 100 - 9 - 202=2, 200/3.0=1 HG2 LYS 24 - H ALA 15 lone 5 98 - 5 - 5.1/6115=2 QB ALA 108 - H ALA 15 lone 4 99 - 4 - HG3 LYS 26 - H ALA 15 lone 3 100 - 3 - HB2 LEU 96 - H ALA 15 lone 3 99 - 3 - QB ALA 28 - H ALA 15 lone 3 100 - 3 - QB ALA 109 - H ALA 15 lone 3 87 - 3 - HB2 LEU 42 - H ALA 15 lone 3 96 - 3 - QB ALA 29 - H ALA 15 lone 3 99 - 3 - HG2 LYS 36 - H ALA 15 lone 2 99 - 2 - HB3 LEU 100 - H ALA 15 lone 1 98 - 1 - HG3 LYS 95 - H ALA 15 lone 1 98 - 1 - HG2 LYS 95 - H ALA 15 lone 1 92 - 1 - Peak 6121 from nnoeabs.peaks (8.03, 8.03, 122.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 16 + H ALA 16 OK 100 100 - 100 Peak 6122 from nnoeabs.peaks (8.14, 8.03, 122.31 ppm; 4.47 A): 1 out of 5 assignments used, quality = 0.98: * H ALA 15 + H ALA 16 OK 98 100 - 98 - 4.6=93, 3.0/201=41...(8) H VAL 133 - H ALA 16 OK 30 98 - 30 - 4.2/11652=11...(6) H ASP 71 - H ALA 16 OK 15 92 - 16 - 3.4/6127=5, 6969/4.6=2...(4) H ILE 32 - H ALA 16 lone 7 99 - 8 - 202/3.7=2, 198/3.6=1, 3.6/6125=1 H LEU 22 - H ALA 16 lone 7 87 - 8 - 198/3.6=2 Peak 6123 from nnoeabs.peaks (4.28, 8.03, 122.31 ppm; 2.60 A): 2 out of 15 assignments used, quality = 0.79: * HA ALA 15 + H ALA 16 OK 55 100 - 55 - 3.6=39, 2.1/6124=17...(4) HA ALA 16 + H ALA 16 OK 52 65 - 80 - 3.0=69, 2.1/6126=25...(4) HA ARG 23 - H ALA 16 lone 6 100 - 6 - 10728/4.6=5 HA SER 74 - H ALA 16 lone 4 87 - 4 - 2.9/9582=4 HA ALA 110 - H ALA 16 lone 3 100 - 3 - 2.1/6124=2 HA LYS 31 - H ALA 16 lone 2 73 - 2 - HA ALA 108 - H ALA 16 lone 2 73 - 2 - 2.1/6124=1 HA ALA 21 - H ALA 16 lone 1 92 - 1 - HA ALA 109 - H ALA 16 lone 1 73 - 2 - HA LEU 22 - H ALA 16 lone 1 73 - 2 - HA LYS 36 - H ALA 16 lone 1 57 - 1 - HA GLN 61 - H ALA 16 lone 1 96 - 1 - HA ALA 12 - H ALA 16 lone 1 100 - 1 - HA THR 25 - H ALA 16 lone 0 87 - 0 - HA THR 18 - H ALA 16 lone 0 81 - 0 - Peak 6124 from nnoeabs.peaks (1.38, 8.03, 122.31 ppm; 2.66 A): 1 out of 15 assignments used, quality = 0.60: * QB ALA 15 + H ALA 16 OK 60 100 - 60 - 3.7=37, 2.1/201=21...(7) HB2 LEU 96 - H ALA 16 lone 6 99 - 6 - 3070/2.9=2, 3.0/6126=1, ~3079=1 QB ALA 110 - H ALA 16 lone 6 100 - 6 - 205=2 QB ALA 108 - H ALA 16 lone 4 99 - 4 - 205=1 QB ALA 28 - H ALA 16 lone 3 100 - 3 - 205=1 QB ALA 109 - H ALA 16 lone 3 87 - 3 - HB2 LEU 42 - H ALA 16 lone 2 96 - 2 - QB ALA 29 - H ALA 16 lone 2 99 - 2 - HG3 LYS 31 - H ALA 16 lone 2 73 - 3 - HG2 LYS 36 - H ALA 16 lone 1 99 - 1 - HG3 LYS 26 - H ALA 16 lone 1 100 - 1 - HG2 LYS 24 - H ALA 16 lone 1 98 - 1 - HG3 LYS 95 - H ALA 16 lone 0 98 - 0 - HB3 LEU 100 - H ALA 16 lone 0 98 - 0 - HG2 LYS 95 - H ALA 16 lone 0 92 - 0 - Peak 6125 from nnoeabs.peaks (4.28, 8.03, 122.31 ppm; 2.60 A): 2 out of 14 assignments used, quality = 0.87: * HA ALA 16 + H ALA 16 OK 80 100 - 80 - 3.0=69, 2.1/6126=25...(4) HA ALA 15 + H ALA 16 OK 36 65 - 55 - 3.6=39, 2.1/6124=17...(4) HB THR 115 - H ALA 16 lone 7 99 - 7 - ~10669=2, 10192/10667=1 HA LYS 31 - H ALA 16 lone 4 100 - 4 - 798/4.6=1 HA LEU 22 - H ALA 16 lone 3 100 - 3 - HA ALA 108 - H ALA 16 lone 3 100 - 3 - 2.1/6124=1 HA ALA 110 - H ALA 16 lone 2 73 - 3 - 2.1/6124=2 HA ALA 109 - H ALA 16 lone 2 100 - 2 - HA LYS 36 - H ALA 16 lone 1 100 - 1 - HA ARG 23 - H ALA 16 lone 2 57 - 3 - 10728/4.6=2 HA GLN 61 - H ALA 16 lone 1 92 - 1 - HA LYS 26 - H ALA 16 lone 0 81 - 1 - HA ALA 12 - H ALA 16 lone 0 65 - 0 - HA LYS 19 - H ALA 16 lone 0 65 - 0 - Peak 6126 from nnoeabs.peaks (1.40, 8.03, 122.31 ppm; 2.70 A): 1 out of 2 assignments used, quality = 0.86: * QB ALA 16 + H ALA 16 OK 86 100 - 86 - 2.9=78, 2.1/6125=17...(9) HG LEU 96 - H ALA 16 lone 6 81 - 7 - 3.0/6124=1, 208/3.0=1 Peak 6127 from nnoeabs.peaks (8.32, 8.03, 122.31 ppm; 3.68 A): 2 out of 3 assignments used, quality = 0.81: * H GLY 17 + H ALA 16 OK 78 100 - 78 - 4.6=50, 209/3.0=33...(6) H TYR 72 + H ALA 16 OK 15 99 - 15 - 6986/9582=4, 213/2.9=3...(5) H ALA 28 - H ALA 16 lone 4 81 - 5 - 2.9/6124=1, 213/2.9=1, 209/3.0=1 Peak 6128 from nnoeabs.peaks (8.32, 8.32, 107.83 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLY 17 + H GLY 17 OK 100 100 - 100 Peak 6130 from nnoeabs.peaks (4.28, 8.32, 107.83 ppm; 2.70 A): 1 out of 14 assignments used, quality = 0.63: * HA ALA 16 + H GLY 17 OK 63 100 - 63 - 209=44, 2.1/213=20...(5) HA ALA 15 - H GLY 17 poor 8 65 - 13 - 3.6/6127=10, 211/3.7=2 HA LYS 36 - H GLY 17 lone 3 100 - 3 - 983/4.4=1 HB THR 115 - H GLY 17 lone 2 99 - 2 - HA ALA 108 - H GLY 17 lone 1 100 - 1 - HA LYS 31 - H GLY 17 lone 1 100 - 1 - HA LEU 22 - H GLY 17 lone 1 100 - 1 - HA LYS 26 - H GLY 17 lone 1 81 - 1 - HA ALA 109 - H GLY 17 lone 0 100 - 0 - HA ALA 110 - H GLY 17 lone 0 73 - 1 - HA GLN 61 - H GLY 17 lone 0 92 - 0 - HA ARG 23 - H GLY 17 lone 0 57 - 0 - HA LYS 19 - H GLY 17 lone 0 65 - 0 - HA ALA 12 - H GLY 17 lone 0 65 - 0 - Peak 6131 from nnoeabs.peaks (1.40, 8.32, 107.83 ppm; 3.65 A): 1 out of 2 assignments used, quality = 0.98: * QB ALA 16 + H GLY 17 OK 98 100 - 98 - 3.7=95, 2.1/209=39...(5) HG LEU 96 - H GLY 17 lone 3 81 - 4 - 208/3.6=1, 6126/4.6=1 Peak 6132 from nnoeabs.peaks (3.96, 8.32, 107.83 ppm; 2.63 A): 2 out of 8 assignments used, quality = 0.97: HA3 GLY 17 + H GLY 17 OK 82 100 - 82 - 3.0=71, 3.6/6136=14...(7) * HA2 GLY 17 + H GLY 17 OK 82 100 - 82 - 3.0=71, 3.6/6136=14...(7) HB3 SER 107 - H GLY 17 lone 5 100 - 5 - 10104/3.7=5 HA LEU 100 - H GLY 17 lone 4 100 - 4 - ~10679=2 HD3 PRO 117 - H GLY 17 lone 1 65 - 1 - HA GLN 127 - H GLY 17 lone 1 73 - 1 - HA THR 65 - H GLY 17 lone 0 65 - 1 - HB2 SER 106 - H GLY 17 lone 0 92 - 0 - Peak 6133 from nnoeabs.peaks (3.96, 8.32, 107.83 ppm; 2.63 A): 2 out of 8 assignments used, quality = 0.97: * HA3 GLY 17 + H GLY 17 OK 82 100 - 82 - 3.0=71, 3.6/6136=14...(7) HA2 GLY 17 + H GLY 17 OK 82 100 - 82 - 3.0=71, 3.6/6136=14...(7) HB3 SER 107 - H GLY 17 lone 5 100 - 5 - 10104/3.7=5 HA LEU 100 - H GLY 17 lone 4 100 - 4 - ~10679=2 HD3 PRO 117 - H GLY 17 lone 1 65 - 1 - HA GLN 127 - H GLY 17 lone 1 73 - 1 - HA THR 65 - H GLY 17 lone 0 65 - 1 - HB2 SER 106 - H GLY 17 lone 0 92 - 0 - Peak 6134 from nnoeabs.peaks (7.97, 8.32, 107.83 ppm; 3.44 A): 1 out of 3 assignments used, quality = 0.64: * H THR 18 + H GLY 17 OK 64 100 - 64 - 6136=48, 6138/3.0=16 H ILE 37 - H GLY 17 lone 4 87 - 5 - 6418/4.4=1, 4.0/9023=1 H SER 38 - H GLY 17 lone 2 65 - 3 - 4.2/9023=1 Peak 6135 from nnoeabs.peaks (7.97, 7.97, 113.82 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H THR 18 + H THR 18 OK 100 100 - 100 Peak 6136 from nnoeabs.peaks (8.32, 7.97, 113.82 ppm; 2.87 A): 0 out of 3 assignments used, low quality = 0.44: ! H GLY 17 - H THR 18 OK 44 100 - 44 - 4.4=28, 3.0/6138=12, 3.0/6138=12 H TYR 72 - H THR 18 lone 1 99 - 1 - H ALA 28 - H THR 18 lone 1 81 - 1 - Peak 6137 from nnoeabs.peaks (3.96, 7.97, 113.82 ppm; 2.59 A): 2 out of 8 assignments used, quality = 0.81: HA3 GLY 17 + H THR 18 OK 56 100 - 56 - 3.6=38, 3.0/6136=18, 1.8/217=14 * HA2 GLY 17 + H THR 18 OK 56 100 - 56 - 3.6=38, 3.0/6136=18, 1.8/217=14 HA GLN 127 - H THR 18 lone 3 73 - 5 - 2.9/10681=4 HB3 SER 107 - H THR 18 lone 1 100 - 1 - HA LEU 100 - H THR 18 lone 0 100 - 0 - HB2 SER 106 - H THR 18 lone 0 92 - 0 - HA THR 65 - H THR 18 lone 0 65 - 0 - HD3 PRO 117 - H THR 18 lone 0 65 - 0 - Peak 6138 from nnoeabs.peaks (3.96, 7.97, 113.82 ppm; 2.59 A): 2 out of 8 assignments used, quality = 0.81: * HA3 GLY 17 + H THR 18 OK 56 100 - 56 - 3.6=38, 3.0/6136=18, 1.8/217=14 HA2 GLY 17 + H THR 18 OK 56 100 - 56 - 3.6=38, 3.0/6136=18, 1.8/217=14 HA GLN 127 - H THR 18 lone 3 73 - 5 - 2.9/10681=4 HB3 SER 107 - H THR 18 lone 1 100 - 1 - HA LEU 100 - H THR 18 lone 0 100 - 0 - HB2 SER 106 - H THR 18 lone 0 92 - 0 - HA THR 65 - H THR 18 lone 0 65 - 0 - HD3 PRO 117 - H THR 18 lone 0 65 - 0 - Peak 6139 from nnoeabs.peaks (4.29, 7.97, 113.82 ppm; 2.92 A): 1 out of 8 assignments used, quality = 0.99: * HA THR 18 + H THR 18 OK 99 100 - 99 - 3.0=97, 3.0/6140=20...(10) HA ALA 12 - H THR 18 OK 15 81 - 19 - 2.1/10683=9, ~10686=4...(5) HA THR 25 - H THR 18 lone 5 100 - 4 - 228/3.8=1 HA ARG 23 - H THR 18 lone 2 87 - 3 - HA ALA 21 - H THR 18 lone 1 99 - 1 - HA SER 74 - H THR 18 lone 1 100 - 1 - HA ALA 15 - H THR 18 lone 0 81 - 0 - HA ALA 110 - H THR 18 lone 0 73 - 0 - Peak 6140 from nnoeabs.peaks (4.19, 7.97, 113.82 ppm; 3.05 A): 1 out of 4 assignments used, quality = 0.81: * HB THR 18 + H THR 18 OK 81 100 - 81 - 3.8=51, 2.1/6141=27...(7) HB THR 25 - H THR 18 lone 3 73 - 4 - 224/3.0=1 HA GLU 128 - H THR 18 lone 3 98 - 3 - HA VAL 105 - H THR 18 lone 2 98 - 2 - Peak 6141 from nnoeabs.peaks (1.17, 7.97, 113.82 ppm; 3.14 A): 1 out of 3 assignments used, quality = 0.80: * QG2 THR 18 + H THR 18 OK 80 100 - 81 - 4.0=48, 2.1/6140=29...(6) QB ALA 41 - H THR 18 lone 5 100 - 5 - 225/3.0=2 HG12 ILE 32 - H THR 18 lone 3 65 - 5 - 6147/4.7=2 Peak 6142 from nnoeabs.peaks (8.35, 7.97, 113.82 ppm; 2.89 A): 1 out of 2 assignments used, quality = 0.64: * H LYS 19 + H THR 18 OK 64 100 - 64 - 6144=35, 226/3.0=23...(5) H LYS 86 - H THR 18 lone 5 65 - 7 - 236/4.0=3, 231/3.8=2, 226/3.0=2 Peak 6143 from nnoeabs.peaks (8.35, 8.35, 123.97 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 19 + H LYS 19 OK 100 100 - 100 Peak 6144 from nnoeabs.peaks (7.97, 8.35, 123.97 ppm; 3.11 A): 1 out of 3 assignments used, quality = 0.74: * H THR 18 + H LYS 19 OK 74 100 - 74 - 6142=47, 3.0/226=26...(5) H ILE 37 - H LYS 19 lone 9 87 - 10 - 222/3.6=3, 232/4.3=2, 227/4.6=1 H SER 38 - H LYS 19 lone 2 65 - 3 - 222/3.6=1 Peak 6145 from nnoeabs.peaks (4.29, 8.35, 123.97 ppm; 2.50 A): 1 out of 8 assignments used, quality = 0.62: * HA THR 18 + H LYS 19 OK 62 100 - 62 - 226=39, 3.0/6142=16...(6) HA ALA 12 - H LYS 19 lone 5 81 - 7 - 2.1/6151=3 HA ARG 23 - H LYS 19 lone 3 87 - 3 - HA THR 25 - H LYS 19 lone 2 100 - 2 - HA ALA 21 - H LYS 19 lone 0 99 - 0 - HA ALA 15 - H LYS 19 lone 0 81 - 0 - HA SER 74 - H LYS 19 lone 0 100 - 0 - HA ALA 110 - H LYS 19 lone 0 73 - 0 - Peak 6146 from nnoeabs.peaks (4.19, 8.35, 123.97 ppm; 3.13 A): 1 out of 4 assignments used, quality = 0.76: * HB THR 18 + H LYS 19 OK 76 100 - 76 - 231=43, 3.0/226=26...(8) HB THR 25 - H LYS 19 lone 4 73 - 5 - 224/3.6=1, 3.0/6145=1 HA GLU 128 - H LYS 19 lone 3 98 - 3 - 4.9/10699=1 HA VAL 105 - H LYS 19 lone 3 98 - 3 - Peak 6147 from nnoeabs.peaks (1.17, 8.35, 123.97 ppm; 3.66 A): 2 out of 3 assignments used, quality = 0.92: * QG2 THR 18 + H LYS 19 OK 90 100 - 90 - 4.3=60, 2.1/6146=35...(8) HG12 ILE 32 + H LYS 19 OK 22 65 - 33 - 5.2/10806=14, 1.8/6152=6...(10) QB ALA 41 - H LYS 19 lone 8 100 - 8 - 225/3.6=2, 11763/3.0=1...(4) Peak 6148 from nnoeabs.peaks (4.27, 8.35, 123.97 ppm; 2.50 A): 3 out of 10 assignments used, quality = 0.86: * HA LYS 19 + H LYS 19 OK 80 100 - 80 - 3.0=61, 3.6/6159=12...(10) HA LYS 26 + H LYS 19 OK 23 99 - 23 - 237=7, 3.0/248=3...(5) HA LYS 31 + H LYS 19 OK 12 57 - 20 - 3.6/10806=9, 3.0/259=4...(4) HA LYS 36 - H LYS 19 lone 4 73 - 5 - 3.6/6144=1 HA PHE 87 - H LYS 19 lone 3 99 - 3 - HB THR 115 - H LYS 19 lone 1 81 - 1 - HA LEU 22 - H LYS 19 lone 0 57 - 1 - HA ALA 109 - H LYS 19 lone 0 57 - 0 - HA ALA 16 - H LYS 19 lone 0 65 - 0 - HA ALA 108 - H LYS 19 lone 0 57 - 0 - Peak 6149 from nnoeabs.peaks (1.75, 8.35, 123.97 ppm; 2.81 A): 4 out of 6 assignments used, quality = 0.92: * HB2 LYS 19 + H LYS 19 OK 77 100 - 77 - 3.9=36, 1.8/259=17...(16) HB2 LYS 26 + H LYS 19 OK 31 100 - 31 - 248=10, 3.0/6148=4...(9) HB2 LYS 24 + H LYS 19 OK 31 98 - 32 - 248=9, 1.8/259=6...(8) HB2 LYS 31 + H LYS 19 OK 24 81 - 30 - 4.6/10806=9, 1.8/259=7...(6) HB2 ARG 23 - H LYS 19 lone 4 92 - 4 - 6161/4.6=1, 3.0/6145=1 HG13 ILE 129 - H LYS 19 lone 1 87 - 1 - Peak 6150 from nnoeabs.peaks (1.81, 8.35, 123.97 ppm; 3.13 A): 3 out of 9 assignments used, quality = 0.96: * HB3 LYS 19 + H LYS 19 OK 88 100 - 88 - 3.9=50, 1.8/248=23...(17) HB3 LYS 31 + H LYS 19 OK 44 100 - 44 - 259=11, 4.6/10806=11...(10) HB3 LYS 24 + H LYS 19 OK 37 99 - 38 - 259=9, 1.8/6149=7...(14) HB3 LYS 26 - H LYS 19 OK 26 81 - 33 - 1.8/248=8, 3.0/6148=5...(15) HB ILE 32 - H LYS 19 OK 24 87 - 28 - 4.0/10806=14, 2.9/6147=4...(8) HB2 LYS 36 - H LYS 19 poor 9 92 - 10 - 994/4.7=2, 4.6/6144=1 HB3 LEU 123 - H LYS 19 lone 3 61 - 5 - 1.8/6153=1 HB2 ARG 84 - H LYS 19 lone 1 98 - 1 - HB3 ARG 135 - H LYS 19 lone 1 87 - 1 - Peak 6151 from nnoeabs.peaks (1.36, 8.35, 123.97 ppm; 3.58 A): 2 out of 2 assignments used, quality = 0.94: * HG2 LYS 19 + H LYS 19 OK 92 100 - 92 - 270=42, 1.8/281=22...(28) QB ALA 12 + H LYS 19 OK 25 92 - 27 - 10686/3.6=7, 10688/4.6=5...(8) Peak 6152 from nnoeabs.peaks (1.44, 8.35, 123.97 ppm; 3.43 A): 3 out of 4 assignments used, quality = 0.96: * HG3 LYS 19 + H LYS 19 OK 88 100 - 88 - 4.9=35, 1.8/270=30...(23) HG3 LYS 24 + H LYS 19 OK 46 99 - 46 - 281=13, 2.9/6149=6...(13) HG2 LYS 31 + H LYS 19 OK 38 99 - 38 - 3.0/259=7, 3.0/6149=5...(10) HG13 ILE 32 - H LYS 19 OK 29 92 - 31 - 5.2/10806=12, 1.8/6147=6...(9) Peak 6153 from nnoeabs.peaks (1.65, 8.35, 123.97 ppm; 4.10 A): 2 out of 8 assignments used, quality = 0.99: HD3 LYS 19 + H LYS 19 OK 92 100 - 92 - 3.0/270=32, 6.2=29...(25) * HD2 LYS 19 + H LYS 19 OK 92 100 - 92 - 3.0/270=32, 6.2=29...(25) HD3 LYS 26 - H LYS 19 OK 26 65 - 40 - 3.5/248=7, 5.0/237=5...(16) HB2 LEU 123 - H LYS 19 OK 17 100 - 18 - 10696/4.3=8, 6165/4.6=3 HG LEU 62 - H LYS 19 lone 7 100 - 7 - 2.1/10698=3, 10696/4.3=1 HG LEU 43 - H LYS 19 lone 5 87 - 6 - 277/4.9=1, 10696/4.3=1 HB2 LEU 98 - H LYS 19 lone 3 98 - 3 - HD2 LYS 95 - H LYS 19 lone 2 92 - 2 - Peak 6154 from nnoeabs.peaks (1.65, 8.35, 123.97 ppm; 4.10 A): 2 out of 8 assignments used, quality = 0.99: * HD3 LYS 19 + H LYS 19 OK 92 100 - 92 - 3.0/270=32, 6.2=29...(25) HD2 LYS 19 + H LYS 19 OK 92 100 - 92 - 3.0/270=32, 6.2=29...(25) HD3 LYS 26 - H LYS 19 OK 26 65 - 40 - 3.5/248=7, 5.0/237=5...(16) HB2 LEU 123 - H LYS 19 OK 17 100 - 18 - 10696/4.3=8, 6165/4.6=3 HG LEU 62 - H LYS 19 lone 7 100 - 7 - 2.1/10698=3, 10696/4.3=1 HG LEU 43 - H LYS 19 lone 5 87 - 6 - 277/4.9=1, 10696/4.3=1 HB2 LEU 98 - H LYS 19 lone 3 98 - 3 - HD2 LYS 95 - H LYS 19 lone 2 92 - 2 - Peak 6157 from nnoeabs.peaks (8.06, 8.35, 123.97 ppm; 3.31 A): 1 out of 1 assignment used, quality = 0.78: * H VAL 20 + H LYS 19 OK 78 100 - 78 - 6159=49, 6160/3.0=21...(11) Peak 6158 from nnoeabs.peaks (8.06, 8.06, 121.67 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 20 + H VAL 20 OK 100 100 - 100 Peak 6159 from nnoeabs.peaks (8.35, 8.06, 121.67 ppm; 3.04 A): 1 out of 2 assignments used, quality = 0.69: * H LYS 19 + H VAL 20 OK 69 100 - 69 - 6157=39, 3.0/6160=18...(11) H LYS 86 - H VAL 20 lone 2 65 - 3 - Peak 6160 from nnoeabs.peaks (4.27, 8.06, 121.67 ppm; 3.04 A): 2 out of 10 assignments used, quality = 0.85: * HA LYS 19 + H VAL 20 OK 82 100 - 82 - 3.6=62, 3.0/6159=23...(10) HA LYS 26 + H VAL 20 OK 15 99 - 15 - 3.0/258=3, 237/4.6=3...(7) HA LYS 31 - H VAL 20 poor 6 57 - 11 - 3.0/269=3, 3.8/6164=2...(4) HA LEU 22 - H VAL 20 lone 4 57 - 8 - ~10724=5, 4.0/6172=1, 374/4.0=1 HA LYS 36 - H VAL 20 lone 2 73 - 2 - HA PHE 87 - H VAL 20 lone 2 99 - 2 - HA ALA 109 - H VAL 20 lone 1 57 - 2 - 3.6/6173=1 HB THR 115 - H VAL 20 lone 1 81 - 1 - HA ALA 16 - H VAL 20 lone 0 65 - 0 - HA ALA 108 - H VAL 20 lone 0 57 - 0 - Peak 6161 from nnoeabs.peaks (1.75, 8.06, 121.67 ppm; 3.63 A): 5 out of 6 assignments used, quality = 0.94: * HB2 LYS 19 + H VAL 20 OK 84 100 - 84 - 4.6=50, 3.0/6160=24...(8) HB2 LYS 26 + H VAL 20 OK 27 100 - 27 - 258=8, 3.0/6160=4...(9) HB2 LYS 24 + H VAL 20 OK 25 98 - 26 - 258=7, 1.8/269=6...(7) HB2 ARG 23 + H VAL 20 OK 20 92 - 22 - ~10707=7, 10706/3.0=6...(4) HB2 LYS 31 + H VAL 20 OK 16 81 - 20 - 1.8/269=6, 3.0/6164=4...(7) HG13 ILE 129 - H VAL 20 lone 3 87 - 3 - 2.9/6170=1 Peak 6162 from nnoeabs.peaks (1.81, 8.06, 121.67 ppm; 3.59 A): 5 out of 9 assignments used, quality = 0.93: * HB3 LYS 19 + H VAL 20 OK 83 100 - 83 - 4.6=48, 3.0/6160=24...(8) HB3 LYS 31 + H VAL 20 OK 25 100 - 25 - 269=8, 259/4.6=5...(8) HB3 LYS 24 + H VAL 20 OK 25 99 - 25 - 269=7, 1.8/258=5...(7) HB3 LYS 26 + H VAL 20 OK 17 81 - 21 - 1.8/258=6, 3.0/6160=4...(7) HB3 LEU 123 + H VAL 20 OK 11 61 - 18 - 3.2/11574=6, 1.8/6165=3...(5) HB ILE 32 - H VAL 20 lone 6 87 - 7 - 6150/4.6=2, 2.9/6164=2 HB2 LYS 36 - H VAL 20 lone 4 92 - 4 - HB2 ARG 84 - H VAL 20 lone 1 98 - 1 - HB3 ARG 135 - H VAL 20 lone 1 87 - 1 - Peak 6163 from nnoeabs.peaks (1.36, 8.06, 121.67 ppm; 4.75 A): 2 out of 2 assignments used, quality = 0.90: * HG2 LYS 19 + H VAL 20 OK 88 100 - 88 - 4.9/6159=30, 241/3.6=28...(11) QB ALA 12 + H VAL 20 OK 20 92 - 21 - 6151/4.6=7, 10711/4.0=6...(6) Peak 6164 from nnoeabs.peaks (1.44, 8.06, 121.67 ppm; 4.71 A): 4 out of 4 assignments used, quality = 0.94: * HG3 LYS 19 + H VAL 20 OK 85 100 - 85 - 1.8/6163=32, 4.9/6159=30...(7) HG3 LYS 24 + H VAL 20 OK 36 99 - 36 - 281/4.6=9, 2.9/269=7...(7) HG2 LYS 31 + H VAL 20 OK 35 99 - 35 - 3.0/269=8, 6152/4.6=6...(8) HG13 ILE 32 + H VAL 20 OK 15 92 - 16 - 6152/4.6=4, 921/4.6=3...(6) Peak 6165 from nnoeabs.peaks (1.65, 8.06, 121.67 ppm; 5.14 A): 3 out of 8 assignments used, quality = 0.98: HD3 LYS 19 + H VAL 20 OK 83 100 - 83 - 3.0/6163=30, 3.9/258=25...(7) * HD2 LYS 19 + H VAL 20 OK 83 100 - 83 - 3.0/6163=30, 3.9/258=25...(7) HB2 LEU 123 + H VAL 20 OK 49 100 - 49 - ~10707=13, 3.2/11574=13...(10) HD3 LYS 26 - H VAL 20 OK 18 65 - 28 - 3.5/258=8, 5.0/6160=5...(8) HG LEU 62 - H VAL 20 lone 9 100 - 8 - 2.1/6171=1, 1995/4.0=1, ~339=1 HG LEU 43 - H VAL 20 lone 5 87 - 5 - HB2 LEU 98 - H VAL 20 lone 4 98 - 4 - 3946/11574=1 HD2 LYS 95 - H VAL 20 lone 2 92 - 2 - Peak 6166 from nnoeabs.peaks (1.65, 8.06, 121.67 ppm; 5.14 A): 3 out of 8 assignments used, quality = 0.98: * HD3 LYS 19 + H VAL 20 OK 83 100 - 83 - 3.0/6163=30, 3.9/258=25...(7) HD2 LYS 19 + H VAL 20 OK 83 100 - 83 - 3.0/6163=30, 3.9/258=25...(7) HB2 LEU 123 + H VAL 20 OK 49 100 - 49 - ~10707=13, 3.2/11574=13...(10) HD3 LYS 26 - H VAL 20 OK 18 65 - 28 - 3.5/258=8, 5.0/6160=5...(8) HG LEU 62 - H VAL 20 lone 9 100 - 8 - 2.1/6171=1, 1995/4.0=1, ~339=1 HG LEU 43 - H VAL 20 lone 5 87 - 5 - HB2 LEU 98 - H VAL 20 lone 4 98 - 4 - 3946/11574=1 HD2 LYS 95 - H VAL 20 lone 2 92 - 2 - Peak 6169 from nnoeabs.peaks (3.99, 8.06, 121.67 ppm; 3.03 A): 1 out of 5 assignments used, quality = 1.00: * HA VAL 20 + H VAL 20 OK 100 100 - 100 - 3.0=100 HA GLN 68 - H VAL 20 lone 8 98 - 8 - 343/4.0=1, 355/4.0=1, 349/4.0=1 HA SER 50 - H VAL 20 lone 7 87 - 8 - 349/4.0=2, 343/4.0=1, 355/4.0=1 HB2 SER 124 - H VAL 20 lone 6 92 - 6 - 355/4.0=1, 343/4.0=1, 349/4.0=1 HB3 SER 51 - H VAL 20 lone 2 65 - 3 - Peak 6170 from nnoeabs.peaks (2.00, 8.06, 121.67 ppm; 2.78 A): 1 out of 9 assignments used, quality = 0.70: * HB VAL 20 + H VAL 20 OK 70 100 - 70 - 4.0=34, 2.1/348=24...(8) HB3 LEU 53 - H VAL 20 lone 4 73 - 6 - 338/3.0=2 HB ILE 129 - H VAL 20 lone 3 100 - 3 - HB3 PRO 56 - H VAL 20 lone 3 100 - 3 - HG2 PRO 81 - H VAL 20 lone 2 98 - 2 - HG2 PRO 56 - H VAL 20 lone 2 87 - 2 - HG3 PRO 56 - H VAL 20 lone 2 87 - 2 - HB3 PRO 117 - H VAL 20 lone 2 81 - 2 - HB2 GLU 91 - H VAL 20 lone 1 81 - 1 - Peak 6171 from nnoeabs.peaks (0.91, 8.06, 121.67 ppm; 2.77 A): 3 out of 6 assignments used, quality = 0.78: * QG1 VAL 20 + H VAL 20 OK 72 100 - 72 - 348=33, 2.1/342=24...(8) QD1 LEU 49 + H VAL 20 OK 12 92 - 13 - 339/3.0=3, ~10710=3...(7) QG2 VAL 63 + H VAL 20 OK 10 98 - 10 - ~11019=2, 11764/3.6=2...(4) QD2 LEU 48 - H VAL 20 lone 8 100 - 8 - 6178/4.7=2, 339/3.0=2, 345/4.0=1 QG1 VAL 118 - H VAL 20 lone 6 73 - 8 - ~10270=2, 339/3.0=1 QD1 LEU 62 - H VAL 20 lone 2 87 - 3 - Peak 6172 from nnoeabs.peaks (0.89, 8.06, 121.67 ppm; 2.85 A): 2 out of 4 assignments used, quality = 0.80: * QG2 VAL 20 + H VAL 20 OK 76 100 - 76 - 4.0=35, 2.1/348=26...(8) QD2 LEU 123 + H VAL 20 OK 17 81 - 21 - 340/3.0=4, 11574=3...(10) QD1 LEU 22 - H VAL 20 lone 8 98 - 8 - 340/3.0=3, 6179/4.7=2...(4) QG1 VAL 118 - H VAL 20 lone 6 73 - 9 - ~10270=3, 340/3.0=2 Peak 6173 from nnoeabs.peaks (8.31, 8.06, 121.67 ppm; 2.93 A): 2 out of 5 assignments used, quality = 0.68: * H ALA 21 + H VAL 20 OK 63 100 - 63 - 4.7=25, 6176/3.0=21...(7) H LEU 49 + H VAL 20 OK 13 92 - 14 - 341/3.0=4, 353/4.0=3...(5) H ALA 110 - H VAL 20 lone 5 81 - 6 - 341/3.0=1, 347/4.0=1...(4) H GLY 111 - H VAL 20 lone 3 92 - 4 - 353/4.0=1 H LEU 69 - H VAL 20 lone 3 65 - 5 - 341/3.0=1, 3.6/6169=1 Peak 6174 from nnoeabs.peaks (8.31, 8.31, 127.69 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 21 + H ALA 21 OK 100 100 - 100 Peak 6175 from nnoeabs.peaks (8.06, 8.31, 127.69 ppm; 3.98 A): 1 out of 1 assignment used, quality = 0.91: * H VAL 20 + H ALA 21 OK 91 100 - 91 - 4.7=63, 3.0/6176=34...(7) Peak 6176 from nnoeabs.peaks (3.99, 8.31, 127.69 ppm; 2.64 A): 1 out of 5 assignments used, quality = 0.67: * HA VAL 20 + H ALA 21 OK 67 100 - 67 - 3.6=40, 3.0/6173=13...(7) HA SER 50 - H ALA 21 lone 6 87 - 7 - 2.9/6616=1 HA GLN 68 - H ALA 21 lone 5 98 - 5 - HB2 SER 124 - H ALA 21 lone 3 92 - 4 - HB3 SER 51 - H ALA 21 lone 2 65 - 3 - Peak 6177 from nnoeabs.peaks (2.00, 8.31, 127.69 ppm; 3.56 A): 1 out of 9 assignments used, quality = 0.84: * HB VAL 20 + H ALA 21 OK 84 100 - 84 - 4.5=48, 3.0/6176=29...(7) HB3 LEU 53 - H ALA 21 lone 5 73 - 7 - 338/3.6=2, 356/4.3=1, 350/4.3=1 HB ILE 129 - H ALA 21 lone 5 100 - 5 - HB3 PRO 56 - H ALA 21 lone 4 100 - 4 - 338/3.6=1 HG2 PRO 81 - H ALA 21 lone 4 98 - 4 - 10719/4.6=1 HB2 GLU 91 - H ALA 21 lone 3 81 - 4 - 10719/4.6=2 HG2 PRO 56 - H ALA 21 lone 3 87 - 3 - HG3 PRO 56 - H ALA 21 lone 3 87 - 3 - HB3 PRO 117 - H ALA 21 lone 2 81 - 2 - Peak 6178 from nnoeabs.peaks (0.91, 8.31, 127.69 ppm; 3.52 A): 3 out of 6 assignments used, quality = 0.93: * QG1 VAL 20 + H ALA 21 OK 85 100 - 85 - 4.3=53, 3.2/6176=27...(6) QD2 LEU 48 + H ALA 21 OK 34 100 - 34 - 1527=8, ~11771=5...(13) QD1 LEU 49 + H ALA 21 OK 25 92 - 27 - 1580=5, 339/3.6=4...(11) QG2 VAL 63 - H ALA 21 lone 8 98 - 8 - 339/3.6=2, 6171/4.7=2...(4) QG1 VAL 118 - H ALA 21 lone 5 73 - 7 - 339/3.6=2, 357/4.3=1 QD1 LEU 62 - H ALA 21 lone 3 87 - 4 - Peak 6179 from nnoeabs.peaks (0.89, 8.31, 127.69 ppm; 3.48 A): 3 out of 4 assignments used, quality = 0.89: * QG2 VAL 20 + H ALA 21 OK 84 100 - 84 - 4.3=51, 3.2/6176=26...(8) QD1 LEU 22 + H ALA 21 OK 21 98 - 21 - 4.9/6184=13, 340/3.6=3...(5) QD2 LEU 123 + H ALA 21 OK 11 81 - 14 - 340/3.6=4, 11574/4.7=4...(4) QG1 VAL 118 - H ALA 21 lone 7 73 - 9 - 340/3.6=2, 6192/4.6=2...(6) Peak 6180 from nnoeabs.peaks (4.29, 8.31, 127.69 ppm; 3.12 A): 1 out of 9 assignments used, quality = 1.00: * HA ALA 21 + H ALA 21 OK 100 100 - 100 - 3.0=100 HA ARG 23 - H ALA 21 OK 17 96 - 18 - ~10726=6, 6185/4.6=4...(4) HA THR 18 - H ALA 21 lone 6 99 - 6 - 10685/4.3=5 HA ALA 15 - H ALA 21 lone 5 92 - 5 - 3.0/6182=1 HA ALA 110 - H ALA 21 lone 3 87 - 3 - HA ALA 12 - H ALA 21 lone 2 92 - 2 - HA THR 25 - H ALA 21 lone 1 100 - 1 - HA GLN 61 - H ALA 21 lone 1 65 - 2 - HA SER 74 - H ALA 21 lone 0 100 - 0 - Peak 6181 from nnoeabs.peaks (1.34, 8.31, 127.69 ppm; 2.84 A): 1 out of 2 assignments used, quality = 0.95: * QB ALA 21 + H ALA 21 OK 95 100 - 95 - 2.9=91, 2.1/360=28...(5) QB ALA 46 - H ALA 21 lone 7 100 - 6 - 362/3.0=1 Peak 6182 from nnoeabs.peaks (8.15, 8.31, 127.69 ppm; 4.07 A): 1 out of 4 assignments used, quality = 0.91: * H LEU 22 + H ALA 21 OK 91 100 - 91 - 4.6=70, 6186/2.9=37...(7) H ALA 15 - H ALA 21 lone 7 87 - 8 - 367/2.9=2, 363/3.0=2, 3.0/6180=1 H VAL 133 - H ALA 21 lone 3 98 - 3 - H ILE 32 - H ALA 21 lone 1 73 - 2 - Peak 6183 from nnoeabs.peaks (8.15, 8.15, 121.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 22 + H LEU 22 OK 100 100 - 100 Peak 6184 from nnoeabs.peaks (8.31, 8.15, 121.80 ppm; 3.23 A): 1 out of 5 assignments used, quality = 0.70: * H ALA 21 + H LEU 22 OK 70 100 - 70 - 4.6=35, 2.9/6186=25...(7) H LEU 49 - H LEU 22 lone 4 92 - 5 - 360/3.6=1, 364/3.7=1 H ALA 110 - H LEU 22 lone 3 81 - 4 - H GLY 111 - H LEU 22 lone 3 92 - 3 - H LEU 69 - H LEU 22 lone 2 65 - 2 - Peak 6185 from nnoeabs.peaks (4.29, 8.15, 121.80 ppm; 2.50 A): 2 out of 9 assignments used, quality = 0.66: * HA ALA 21 + H LEU 22 OK 54 100 - 54 - 3.6=34, 2.1/6186=19, 3.0/6184=13 HA ARG 23 + H LEU 22 OK 25 96 - 27 - 2.9/6193=14, ~375=3...(8) HA ALA 15 - H LEU 22 lone 4 92 - 4 - 198=1 HA THR 25 - H LEU 22 lone 2 100 - 2 - ~10720=2 HA ALA 110 - H LEU 22 lone 2 87 - 2 - HA GLN 61 - H LEU 22 lone 1 65 - 2 - HA ALA 12 - H LEU 22 lone 1 92 - 1 - HA THR 18 - H LEU 22 lone 1 99 - 1 - HA SER 74 - H LEU 22 lone 0 100 - 0 - Peak 6186 from nnoeabs.peaks (1.34, 8.15, 121.80 ppm; 3.05 A): 1 out of 2 assignments used, quality = 0.76: * QB ALA 21 + H LEU 22 OK 76 100 - 76 - 3.7=55, 2.1/363=26...(5) QB ALA 46 - H LEU 22 lone 5 100 - 5 - Peak 6187 from nnoeabs.peaks (4.28, 8.15, 121.80 ppm; 2.50 A): 2 out of 14 assignments used, quality = 0.80: * HA LEU 22 + H LEU 22 OK 76 100 - 76 - 2.9=61, 2.9/6188=11...(7) HA ARG 23 + H LEU 22 OK 17 65 - 26 - 2.9/6193=14, ~375=3...(9) HA GLN 61 - H LEU 22 lone 6 96 - 7 - 9379/4.9=3 HA ALA 15 - H LEU 22 lone 4 73 - 5 - HA LYS 36 - H LEU 22 lone 3 99 - 3 - HA LYS 31 - H LEU 22 lone 3 100 - 3 - HA ALA 110 - H LEU 22 lone 2 81 - 2 - HA ALA 109 - H LEU 22 lone 1 100 - 1 - HA ALA 16 - H LEU 22 lone 1 100 - 1 - HB THR 115 - H LEU 22 lone 1 98 - 1 - HA LYS 26 - H LEU 22 lone 1 73 - 1 - HA ALA 108 - H LEU 22 lone 1 100 - 1 - HA ALA 12 - H LEU 22 lone 0 73 - 0 - HA LYS 19 - H LEU 22 lone 0 57 - 0 - Peak 6188 from nnoeabs.peaks (1.54, 8.15, 121.80 ppm; 3.06 A): 3 out of 3 assignments used, quality = 0.88: * HB2 LEU 22 + H LEU 22 OK 81 100 - 81 - 4.0=43, 1.8/6189=19...(13) HB2 LEU 119 + H LEU 22 OK 30 100 - 30 - 370/2.9=7, 386/4.0=6...(10) HB3 LEU 42 + H LEU 22 OK 10 100 - 10 - 370/2.9=3, 386/4.0=2...(5) Peak 6189 from nnoeabs.peaks (1.62, 8.15, 121.80 ppm; 2.50 A): 3 out of 6 assignments used, quality = 0.84: * HB3 LEU 22 + H LEU 22 OK 62 100 - 62 - 4.0=24, 1.8/6188=15...(13) HG LEU 22 + H LEU 22 OK 51 100 - 51 - 5.1=12, 3.0/6188=10...(10) HG LEU 119 + H LEU 22 OK 13 92 - 14 - 2.9/6188=4, 3783/4.0=3...(6) HG3 ARG 23 - H LEU 22 poor 8 65 - 12 - 5.0/6193=5, 3.8/6185=4 HG LEU 70 - H LEU 22 lone 1 92 - 1 - HB2 LEU 122 - H LEU 22 lone 0 73 - 0 - Peak 6190 from nnoeabs.peaks (1.62, 8.15, 121.80 ppm; 2.56 A): 3 out of 6 assignments used, quality = 0.86: HB3 LEU 22 + H LEU 22 OK 64 100 - 64 - 4.0=25, 1.8/6188=16...(13) * HG LEU 22 + H LEU 22 OK 53 100 - 53 - 5.1=12, 3.0/6188=11...(10) HG LEU 119 + H LEU 22 OK 13 92 - 15 - 2.9/6188=4, 3783/4.0=3...(7) HG3 ARG 23 - H LEU 22 poor 9 65 - 14 - 5.0/6193=6, 3.8/6185=4 HG LEU 70 - H LEU 22 lone 1 92 - 1 - HB2 LEU 122 - H LEU 22 lone 0 73 - 0 - Peak 6191 from nnoeabs.peaks (0.84, 8.15, 121.80 ppm; 4.28 A): 2 out of 2 assignments used, quality = 0.98: * QD2 LEU 22 + H LEU 22 OK 96 100 - 96 - 4.9=66, 373/2.9=32...(12) QG1 VAL 133 + H LEU 22 OK 52 92 - 57 - 373/2.9=10, 4245=10...(12) Peak 6192 from nnoeabs.peaks (0.89, 8.15, 121.80 ppm; 3.60 A): 3 out of 3 assignments used, quality = 0.95: * QD1 LEU 22 + H LEU 22 OK 88 100 - 88 - 4.9=41, 3.1/6188=21...(15) QG2 VAL 20 + H LEU 22 OK 48 98 - 49 - 4.3/6184=17...(9) QG1 VAL 118 + H LEU 22 OK 20 92 - 22 - 390/4.0=5, 374/2.9=5...(6) Peak 6193 from nnoeabs.peaks (8.24, 8.15, 121.80 ppm; 2.97 A): 2 out of 2 assignments used, quality = 0.75: * H ARG 23 + H LEU 22 OK 71 100 - 71 - 6195=29, 375/2.9=23...(11) H ALA 29 + H LEU 22 OK 15 98 - 15 - 375/2.9=4, 383/4.0=3...(5) Peak 6194 from nnoeabs.peaks (8.24, 8.24, 121.99 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ARG 23 + H ARG 23 OK 100 100 - 100 Peak 6195 from nnoeabs.peaks (8.15, 8.24, 121.99 ppm; 3.13 A): 3 out of 4 assignments used, quality = 0.85: * H LEU 22 + H ARG 23 OK 78 100 - 79 - 6193=41, 2.9/375=25...(11) H VAL 133 + H ARG 23 OK 17 98 - 17 - 368/3.6=4, 4.0/6200=3...(6) H ALA 15 + H ARG 23 OK 15 87 - 18 - 10728/2.9=6, 368/3.6=2...(8) H ILE 32 - H ARG 23 lone 5 73 - 7 - 10728/2.9=2 Peak 6196 from nnoeabs.peaks (4.28, 8.24, 121.99 ppm; 2.50 A): 3 out of 14 assignments used, quality = 0.86: * HA LEU 22 + H ARG 23 OK 66 100 - 66 - 375=39, 2.9/6193=14...(8) HA ARG 23 + H ARG 23 OK 52 65 - 80 - 2.9=61, 3.0/6203=11...(14) HA LYS 26 + H ARG 23 OK 11 73 - 15 - 2.9/6209=4, 3.0/6203=3...(5) HA ALA 15 - H ARG 23 lone 7 73 - 9 - ~10728=2, 3.0/6195=2, 2.1/744=1 HA GLN 61 - H ARG 23 lone 4 96 - 4 - 9379/6201=1 HA LYS 31 - H ARG 23 lone 3 100 - 3 - HA LYS 36 - H ARG 23 lone 3 99 - 3 - HB THR 115 - H ARG 23 lone 2 98 - 2 - 11521/4.5=1 HA LYS 19 - H ARG 23 lone 2 57 - 3 - HA ALA 12 - H ARG 23 lone 1 73 - 1 - HA ALA 110 - H ARG 23 lone 1 81 - 1 - HA ALA 16 - H ARG 23 lone 1 100 - 1 - HA ALA 109 - H ARG 23 lone 1 100 - 1 - HA ALA 108 - H ARG 23 lone 1 100 - 1 - Peak 6197 from nnoeabs.peaks (1.54, 8.24, 121.99 ppm; 3.15 A): 2 out of 3 assignments used, quality = 0.85: * HB2 LEU 22 + H ARG 23 OK 80 100 - 80 - 4.6=31, 2.9/375=25...(15) HB2 LEU 119 + H ARG 23 OK 26 100 - 26 - 370/3.6=6, 386/4.6=5...(10) HB3 LEU 42 - H ARG 23 lone 7 100 - 7 - 370/3.6=2, 386/4.6=1, 6188/4.6=1 Peak 6198 from nnoeabs.peaks (1.62, 8.24, 121.99 ppm; 2.98 A): 3 out of 6 assignments used, quality = 0.96: * HB3 LEU 22 + H ARG 23 OK 78 100 - 78 - 4.6=27, 2.9/375=23...(16) HG LEU 22 + H ARG 23 OK 68 100 - 68 - 3.0/6197=16, 399=13...(17) HG3 ARG 23 + H ARG 23 OK 51 65 - 78 - 1.8/6205=22, 5.0=21...(16) HG LEU 119 - H ARG 23 OK 22 92 - 23 - 2.9/6197=5, 3783/4.6=3...(9) HG LEU 70 - H ARG 23 lone 1 92 - 1 - HB2 LEU 122 - H ARG 23 lone 1 73 - 1 - Peak 6199 from nnoeabs.peaks (1.62, 8.24, 121.99 ppm; 3.05 A): 3 out of 6 assignments used, quality = 0.97: HB3 LEU 22 + H ARG 23 OK 80 100 - 80 - 4.6=29, 2.9/375=24...(16) * HG LEU 22 + H ARG 23 OK 70 100 - 70 - 3.0/6197=16, 399=14...(17) HG3 ARG 23 + H ARG 23 OK 52 65 - 80 - 1.8/6205=23, 5.0=23...(16) HG LEU 119 - H ARG 23 OK 23 92 - 25 - 2.9/6197=5, 3783/4.6=3...(9) HG LEU 70 - H ARG 23 lone 1 92 - 1 - HB2 LEU 122 - H ARG 23 lone 1 73 - 1 - Peak 6200 from nnoeabs.peaks (0.84, 8.24, 121.99 ppm; 4.26 A): 2 out of 2 assignments used, quality = 0.95: * QD2 LEU 22 + H ARG 23 OK 92 100 - 92 - 3.9/375=31, 407=29...(16) QG1 VAL 133 + H ARG 23 OK 32 92 - 35 - 373/3.6=9, 6191/4.6=8...(7) Peak 6201 from nnoeabs.peaks (0.89, 8.24, 121.99 ppm; 3.89 A): 3 out of 3 assignments used, quality = 0.92: * QD1 LEU 22 + H ARG 23 OK 85 100 - 85 - 4.0/375=26, 3.1/6197=24...(13) QG2 VAL 20 + H ARG 23 OK 34 98 - 35 - 3.2/11783=11...(8) QG1 VAL 118 + H ARG 23 OK 24 92 - 26 - 390/4.6=5, 374/3.6=4...(9) Peak 6202 from nnoeabs.peaks (4.29, 8.24, 121.99 ppm; 2.50 A): 5 out of 14 assignments used, quality = 0.93: * HA ARG 23 + H ARG 23 OK 81 100 - 81 - 2.9=61, 3.0/6203=11...(15) HA LEU 22 + H ARG 23 OK 42 65 - 64 - 3.6=34, 2.9/6193=14...(10) HA ALA 21 + H ARG 23 OK 19 96 - 20 - 3.6/6193=10, 2.1/10726=7 HA THR 25 + H ARG 23 OK 11 92 - 12 - 3.6/6209=3, 582/4.5=3...(4) HA ALA 15 + H ARG 23 OK 10 100 - 10 - ~10728=2, 3.0/6195=2, 2.1/744=1 HA GLN 61 - H ARG 23 lone 3 92 - 3 - 9379/6201=1 HA ALA 12 - H ARG 23 lone 2 100 - 2 - HA LYS 31 - H ARG 23 lone 2 65 - 2 - HA THR 18 - H ARG 23 lone 2 87 - 2 - HA ALA 110 - H ARG 23 lone 2 99 - 1 - HA SER 74 - H ARG 23 lone 0 92 - 1 - HA ALA 16 - H ARG 23 lone 0 57 - 1 - HA ALA 108 - H ARG 23 lone 0 65 - 1 - HA ALA 109 - H ARG 23 lone 0 65 - 1 - Peak 6203 from nnoeabs.peaks (1.75, 8.24, 121.99 ppm; 2.81 A): 3 out of 5 assignments used, quality = 0.85: * HB2 ARG 23 + H ARG 23 OK 78 100 - 78 - 3.8=39, 1.8/434=19...(14) HB2 LYS 26 + H ARG 23 OK 21 92 - 23 - 1.8/6204=5, 418/2.9=4...(9) HB2 LYS 24 + H ARG 23 OK 15 73 - 20 - 4.1/6211=10, 1.8/6204=3...(4) HB2 LYS 19 - H ARG 23 lone 6 92 - 6 - 6213/4.5=2, 418/2.9=1 HB2 LYS 39 - H ARG 23 lone 4 87 - 4 - 418/2.9=1, 436/3.8=1 Peak 6204 from nnoeabs.peaks (1.82, 8.24, 121.99 ppm; 2.95 A): 3 out of 9 assignments used, quality = 0.89: * HB3 ARG 23 + H ARG 23 OK 83 100 - 83 - 3.8=45, 1.8/6203=23...(14) HB3 LYS 26 + H ARG 23 OK 25 96 - 26 - 1.8/6203=6, 419/2.9=4...(9) HB3 LYS 24 + H ARG 23 OK 14 65 - 22 - 4.1/6211=12, 1.8/6203=4...(5) HB2 LEU 100 - H ARG 23 lone 5 100 - 5 - 11385/6200=1 HB ILE 32 - H ARG 23 lone 5 92 - 5 - 419/2.9=1 HB3 LEU 123 - H ARG 23 lone 3 79 - 4 - HB2 LYS 36 - H ARG 23 lone 2 87 - 2 - HB3 ARG 135 - H ARG 23 lone 1 92 - 1 - HB VAL 93 - H ARG 23 lone 1 92 - 1 - Peak 6205 from nnoeabs.peaks (1.57, 8.24, 121.99 ppm; 3.06 A): 2 out of 4 assignments used, quality = 0.81: * HG2 ARG 23 + H ARG 23 OK 76 100 - 76 - 5.0=23, 3.0/6203=17...(16) HG LEU 49 + H ARG 23 OK 21 98 - 22 - 443=5, 420/2.9=4...(6) HB2 LEU 103 - H ARG 23 lone 9 99 - 9 - 420/2.9=2, 429/3.8=2...(4) HG LEU 123 - H ARG 23 lone 4 73 - 5 - Peak 6206 from nnoeabs.peaks (1.63, 8.24, 121.99 ppm; 3.06 A): 3 out of 4 assignments used, quality = 0.95: * HG3 ARG 23 + H ARG 23 OK 80 100 - 80 - 1.8/6205=23, 5.0=23...(16) HB3 LEU 22 + H ARG 23 OK 53 65 - 81 - 4.6=29, 2.9/375=24...(17) HG LEU 22 + H ARG 23 OK 45 65 - 68 - 3.0/6197=16, 4.3/375=14...(17) HG LEU 119 - H ARG 23 OK 28 96 - 29 - 2.9/6197=5, 452=5...(10) Peak 6207 from nnoeabs.peaks (3.17, 8.24, 121.99 ppm; 4.43 A): 2 out of 6 assignments used, quality = 0.99: * HD2 ARG 23 + H ARG 23 OK 93 100 - 93 - 6.4=33, 3.0/6205=30...(15) HD3 ARG 23 + H ARG 23 OK 93 100 - 93 - 6.4=33, 3.0/6205=30...(15) HD3 ARG 90 - H ARG 23 OK 17 100 - 17 - 423/2.9=3, 441/3.8=3...(7) HD2 ARG 90 - H ARG 23 OK 16 98 - 17 - 423/2.9=3, 441/3.8=3...(7) HB3 HIS 6 - H ARG 23 lone 2 98 - 2 - HB2 HIS 10 - H ARG 23 lone 1 87 - 2 - Peak 6208 from nnoeabs.peaks (3.17, 8.24, 121.99 ppm; 4.43 A): 2 out of 6 assignments used, quality = 0.99: HD2 ARG 23 + H ARG 23 OK 93 100 - 93 - 6.4=33, 3.0/6205=30...(15) * HD3 ARG 23 + H ARG 23 OK 93 100 - 93 - 6.4=33, 3.0/6205=30...(15) HD3 ARG 90 - H ARG 23 OK 17 100 - 17 - 423/2.9=3, 441/3.8=3...(7) HD2 ARG 90 - H ARG 23 OK 16 98 - 17 - 423/2.9=3, 441/3.8=3...(7) HB3 HIS 6 - H ARG 23 lone 2 98 - 2 - HB2 HIS 10 - H ARG 23 lone 1 87 - 2 - Peak 6209 from nnoeabs.peaks (8.37, 8.24, 121.99 ppm; 3.26 A): 3 out of 4 assignments used, quality = 0.83: * H LYS 24 + H ARG 23 OK 72 100 - 72 - 6211=39, 3.6/416=19...(10) H LYS 26 + H ARG 23 OK 31 100 - 31 - 424/2.9=10, 433/3.8=5...(9) H GLY 14 + H ARG 23 OK 11 98 - 11 - 424/2.9=4, 4.6/6195=2...(4) H HIS 3 - H ARG 23 lone 0 57 - 1 - Peak 6210 from nnoeabs.peaks (8.37, 8.37, 122.93 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 24 + H LYS 24 OK 100 100 - 100 Peak 6211 from nnoeabs.peaks (8.24, 8.37, 122.93 ppm; 3.15 A): 2 out of 2 assignments used, quality = 0.73: * H ARG 23 + H LYS 24 OK 68 100 - 68 - 4.5=34, 2.9/424=18...(10) H ALA 29 + H LYS 24 OK 18 98 - 18 - 416/3.6=4, 425/4.2=4...(6) Peak 6212 from nnoeabs.peaks (4.29, 8.37, 122.93 ppm; 2.50 A): 2 out of 14 assignments used, quality = 0.75: * HA ARG 23 + H LYS 24 OK 57 100 - 57 - 3.6=34, 2.9/6211=12...(8) HA THR 25 + H LYS 24 OK 41 92 - 45 - 582=17, 3.0/6228=15...(8) HA LEU 22 - H LYS 24 poor 10 65 - 15 - 3.6/6211=10, 2.9/6216=2...(4) HA LYS 31 - H LYS 24 poor 8 65 - 11 - 3.8/6223=2, 3.0/6220=2 HA ALA 15 - H LYS 24 lone 6 100 - 6 - 3.0/6115=2 HA ALA 21 - H LYS 24 lone 3 96 - 3 - HA ALA 12 - H LYS 24 lone 2 100 - 2 - HA THR 18 - H LYS 24 lone 1 87 - 2 - HA ALA 110 - H LYS 24 lone 1 99 - 1 - HA GLN 61 - H LYS 24 lone 1 92 - 1 - HA SER 74 - H LYS 24 lone 0 92 - 0 - HA ALA 108 - H LYS 24 lone 0 65 - 1 - HA ALA 109 - H LYS 24 lone 0 65 - 0 - HA ALA 16 - H LYS 24 lone 0 57 - 0 - Peak 6213 from nnoeabs.peaks (1.75, 8.37, 122.93 ppm; 2.81 A): 4 out of 5 assignments used, quality = 0.93: * HB2 ARG 23 + H LYS 24 OK 63 100 - 63 - 4.2=29, 3.0/424=14...(8) HB2 LYS 24 + H LYS 24 OK 54 73 - 74 - 4.1=33, 3.0/6219=23...(17) HB2 LYS 26 + H LYS 24 OK 42 92 - 46 - 1.8/615=8, 604=7...(17) HB2 LYS 19 + H LYS 24 OK 25 92 - 27 - 3.0/6223=4, 604=4...(10) HB2 LYS 39 - H LYS 24 lone 3 87 - 4 - 418/3.6=1 Peak 6214 from nnoeabs.peaks (1.82, 8.37, 122.93 ppm; 2.95 A): 3 out of 9 assignments used, quality = 0.92: * HB3 ARG 23 + H LYS 24 OK 67 100 - 67 - 4.2=34, 3.0/424=16...(9) HB3 LYS 24 + H LYS 24 OK 51 65 - 78 - 4.1=38, 3.0/6219=25...(16) HB3 LYS 26 + H LYS 24 OK 49 96 - 52 - 615=11, 1.8/6213=8...(18) HB ILE 32 - H LYS 24 lone 7 92 - 7 - HB2 LEU 100 - H LYS 24 lone 6 100 - 6 - 1.8/6222=1 HB2 LYS 36 - H LYS 24 lone 6 87 - 6 - 3.0/6222=1 HB3 LEU 123 - H LYS 24 lone 3 79 - 3 - HB3 ARG 135 - H LYS 24 lone 1 92 - 1 - HB VAL 93 - H LYS 24 lone 1 92 - 1 - Peak 6215 from nnoeabs.peaks (1.57, 8.37, 122.93 ppm; 4.04 A): 3 out of 4 assignments used, quality = 0.94: * HG2 ARG 23 + H LYS 24 OK 89 100 - 89 - 4.6=68, 1.8/6216=23...(10) HG LEU 49 + H LYS 24 OK 38 98 - 39 - 2.1/10733=11, 429/4.2=7...(7) HB2 LEU 103 + H LYS 24 OK 14 99 - 13 - 420/3.6=3, 429/4.2=3...(5) HG LEU 123 - H LYS 24 lone 5 73 - 7 - 420/3.6=1, 429/4.2=1, 438/4.2=1 Peak 6216 from nnoeabs.peaks (1.63, 8.37, 122.93 ppm; 4.04 A): 4 out of 4 assignments used, quality = 0.95: * HG3 ARG 23 + H LYS 24 OK 89 100 - 89 - 4.6=68, 1.8/6215=23...(10) HG LEU 119 + H LYS 24 OK 23 96 - 24 - 430/4.2=5, 439/4.2=5...(6) HB3 LEU 22 + H LYS 24 OK 23 65 - 35 - 4.6/6211=19, 421/3.6=7...(6) HG LEU 22 + H LYS 24 OK 14 65 - 22 - 399/4.5=7, 421/3.6=6...(6) Peak 6219 from nnoeabs.peaks (4.33, 8.37, 122.93 ppm; 2.50 A): 1 out of 5 assignments used, quality = 0.76: * HA LYS 24 + H LYS 24 OK 76 100 - 76 - 3.0=61, 3.6/6228=12...(10) HA ASN 59 - H LYS 24 lone 3 100 - 3 - HA LEU 69 - H LYS 24 lone 2 96 - 2 - HA PRO 81 - H LYS 24 lone 1 99 - 1 - HA ASP 47 - H LYS 24 lone 0 73 - 0 - Peak 6220 from nnoeabs.peaks (1.75, 8.37, 122.93 ppm; 2.74 A): 4 out of 6 assignments used, quality = 0.94: * HB2 LYS 24 + H LYS 24 OK 71 100 - 71 - 4.1=31, 3.0/6219=22...(15) HB2 LYS 26 + H LYS 24 OK 44 98 - 46 - 604=8, 1.8/615=8...(16) HB2 ARG 23 + H LYS 24 OK 44 73 - 60 - 4.2=27, 3.0/424=14...(8) HB2 LYS 19 + H LYS 24 OK 27 98 - 28 - 604=4, 3.0/6223=4...(10) HB2 LYS 31 - H LYS 24 OK 25 96 - 26 - 3.0/6223=4, 1.8/6221=3...(10) HG13 ILE 129 - H LYS 24 lone 1 98 - 1 - Peak 6221 from nnoeabs.peaks (1.81, 8.37, 122.93 ppm; 2.95 A): 4 out of 11 assignments used, quality = 0.95: * HB3 LYS 24 + H LYS 24 OK 77 100 - 77 - 4.1=38, 3.0/6219=25...(14) HB3 LYS 26 + H LYS 24 OK 46 92 - 51 - 615=11, 1.8/6213=8...(18) HB3 ARG 23 + H LYS 24 OK 44 65 - 67 - 4.2=34, 3.0/424=16...(9) HB3 LYS 31 + H LYS 24 OK 29 99 - 30 - 3.0/6223=4, 1.8/6220=4...(10) HB3 LYS 19 - H LYS 24 OK 29 99 - 29 - 1.8/6213=5, 3.0/6223=5...(11) HB2 LYS 36 - H LYS 24 lone 7 98 - 7 - 3.0/6222=1 HB ILE 32 - H LYS 24 lone 7 96 - 7 - HB2 LEU 100 - H LYS 24 lone 4 73 - 5 - 1.8/6222=1 HB3 LEU 123 - H LYS 24 lone 2 64 - 3 - HB3 ARG 135 - H LYS 24 lone 1 96 - 1 - HB2 ARG 84 - H LYS 24 lone 1 92 - 1 - Peak 6222 from nnoeabs.peaks (1.38, 8.37, 122.93 ppm; 3.20 A): 3 out of 14 assignments used, quality = 0.89: * HG2 LYS 24 + H LYS 24 OK 74 100 - 74 - 5.1=25, 4.1/6219=18...(17) HG3 LYS 26 + H LYS 24 OK 54 99 - 55 - 1.8/626=11, 637=9...(21) HG2 LYS 36 + H LYS 24 OK 11 100 - 11 - 483/3.0=2, 1008/4.1=2 QB ALA 15 - H LYS 24 lone 9 98 - 9 - 2.9/6115=3, 2.1/6212=2 QB ALA 29 - H LYS 24 lone 8 100 - 8 - 2.9/6211=5 HB3 LEU 100 - H LYS 24 lone 8 100 - 8 - 6234/4.6=1, 1.8/6214=1 QB ALA 28 - H LYS 24 lone 7 96 - 7 - 3.7/6211=4 QB ALA 110 - H LYS 24 lone 2 98 - 2 - HG3 LYS 95 - H LYS 24 lone 2 87 - 2 - HB2 LEU 42 - H LYS 24 lone 2 100 - 2 - HG2 LYS 95 - H LYS 24 lone 2 73 - 2 - HB2 LEU 96 - H LYS 24 lone 2 100 - 2 - QB ALA 108 - H LYS 24 lone 2 92 - 2 - QB ALA 109 - H LYS 24 lone 1 65 - 1 - Peak 6223 from nnoeabs.peaks (1.45, 8.37, 122.93 ppm; 3.47 A): 3 out of 4 assignments used, quality = 0.92: * HG3 LYS 24 + H LYS 24 OK 80 100 - 80 - 5.1=32, 4.1/6219=22...(18) HG3 LYS 19 + H LYS 24 OK 39 99 - 39 - 524/3.0=9, 523=7...(13) HG2 LYS 31 + H LYS 24 OK 37 96 - 39 - 484/3.0=7, 823/4.1=4...(20) HG13 ILE 32 - H LYS 24 lone 6 81 - 8 - 484/3.0=1, 921/4.1=1, 2.9/6214=1 Peak 6228 from nnoeabs.peaks (8.10, 8.37, 122.93 ppm; 3.19 A): 1 out of 1 assignment used, quality = 0.76: * H THR 25 + H LYS 24 OK 76 100 - 76 - 4.6=32, 6231/3.0=27...(14) Peak 6229 from nnoeabs.peaks (8.10, 8.10, 115.50 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H THR 25 + H THR 25 OK 100 100 - 100 Peak 6230 from nnoeabs.peaks (8.37, 8.10, 115.50 ppm; 2.67 A): 2 out of 4 assignments used, quality = 0.86: * H LYS 24 + H THR 25 OK 65 100 - 65 - 6228=29, 3.0/6231=19...(14) H LYS 26 + H THR 25 OK 62 100 - 62 - 6245=31, 6246/3.0=14...(10) H GLY 14 - H THR 25 lone 2 98 - 2 - H HIS 3 - H THR 25 lone 0 57 - 0 - Peak 6231 from nnoeabs.peaks (4.33, 8.10, 115.50 ppm; 2.85 A): 1 out of 5 assignments used, quality = 0.75: * HA LYS 24 + H THR 25 OK 75 100 - 75 - 3.6=51, 3.0/6228=20...(11) HA ASN 59 - H THR 25 lone 2 100 - 2 - HA LEU 69 - H THR 25 lone 2 96 - 2 - HA PRO 81 - H THR 25 lone 1 99 - 1 - HA ASP 47 - H THR 25 lone 0 73 - 0 - Peak 6232 from nnoeabs.peaks (1.75, 8.10, 115.50 ppm; 3.37 A): 3 out of 6 assignments used, quality = 0.93: * HB2 LYS 24 + H THR 25 OK 80 100 - 80 - 4.7=38, 3.0/6231=29...(10) HB2 LYS 26 + H THR 25 OK 51 98 - 52 - 4.0/6245=20, 500=12...(10) HB2 ARG 23 + H THR 25 OK 27 73 - 37 - 4.2/6228=18, 3.0/6240=6...(8) HB2 LYS 31 - H THR 25 OK 25 96 - 26 - 1.8/511=5, 500=4...(9) HB2 LYS 19 - H THR 25 OK 24 98 - 24 - 500=5, 1.8/511=4...(7) HG13 ILE 129 - H THR 25 lone 1 98 - 1 - Peak 6233 from nnoeabs.peaks (1.81, 8.10, 115.50 ppm; 3.20 A): 5 out of 11 assignments used, quality = 0.93: * HB3 LYS 24 + H THR 25 OK 74 100 - 74 - 4.7=33, 3.0/6231=27...(9) HB3 LYS 26 + H THR 25 OK 42 92 - 46 - 4.0/6245=18, 1.8/500=8...(9) HB3 LYS 31 + H THR 25 OK 24 99 - 24 - 511=6, 1.8/6232=4...(9) HB3 LYS 19 + H THR 25 OK 21 99 - 21 - 511=5, 502/3.6=4...(7) HB3 ARG 23 + H THR 25 OK 21 65 - 32 - 4.2/6228=16, 3.0/6240=6...(7) HB2 LEU 100 - H THR 25 poor 9 73 - 12 - ~11128=5, 1.8/6234=3 HB2 LYS 36 - H THR 25 lone 5 98 - 6 - 3.0/6234=1 HB ILE 32 - H THR 25 lone 4 96 - 5 - HB2 ARG 84 - H THR 25 lone 2 92 - 2 - 11272/9773=2 HB3 ARG 135 - H THR 25 lone 1 96 - 1 - HB3 LEU 123 - H THR 25 lone 1 64 - 1 - Peak 6234 from nnoeabs.peaks (1.38, 8.10, 115.50 ppm; 3.43 A): 3 out of 14 assignments used, quality = 0.87: * HG2 LYS 24 + H THR 25 OK 68 100 - 68 - 4.1/6231=20, 2.9/511=14...(11) HG3 LYS 26 + H THR 25 OK 50 99 - 50 - 4.9/6245=15, 483/3.6=8...(12) HB3 LEU 100 + H THR 25 OK 16 100 - 16 - ~11128=7, 3.9/10047=3...(5) HG2 LYS 36 - H THR 25 lone 10 100 - 10 - 483/3.6=2, 1008/4.7=2...(4) QB ALA 15 - H THR 25 lone 4 98 - 4 - QB ALA 28 - H THR 25 lone 3 96 - 4 - 10691/3.9=1 QB ALA 29 - H THR 25 lone 3 100 - 3 - HG3 LYS 95 - H THR 25 lone 2 87 - 3 - HG2 LYS 95 - H THR 25 lone 2 73 - 2 - QB ALA 110 - H THR 25 lone 2 98 - 2 - HB2 LEU 96 - H THR 25 lone 2 100 - 2 - HB2 LEU 42 - H THR 25 lone 1 100 - 1 - QB ALA 108 - H THR 25 lone 1 92 - 1 - QB ALA 109 - H THR 25 lone 1 65 - 1 - Peak 6235 from nnoeabs.peaks (1.45, 8.10, 115.50 ppm; 4.53 A): 3 out of 4 assignments used, quality = 0.96: * HG3 LYS 24 + H THR 25 OK 87 100 - 87 - 4.1/6231=34, 5.1/6228=26...(11) HG3 LYS 19 + H THR 25 OK 45 99 - 45 - 524/3.6=12, 533=10...(9) HG2 LYS 31 + H THR 25 OK 41 96 - 43 - 484/3.6=9, 6223/4.6=7...(10) HG13 ILE 32 - H THR 25 lone 8 81 - 9 - 484/3.6=2, 921/4.7=2, 6223/4.6=1 Peak 6236 from nnoeabs.peaks (1.66, 8.10, 115.50 ppm; 4.32 A): 4 out of 15 assignments used, quality = 0.99: * HD2 LYS 24 + H THR 25 OK 79 100 - 79 - 5.4/6231=21, 3.0/522=19...(11) HD3 LYS 24 + H THR 25 OK 79 100 - 79 - 5.4/6231=21, 3.0/522=19...(11) HD2 LYS 26 + H THR 25 OK 58 100 - 58 - 5.7/6245=19, 2.9/6234=12...(12) HD3 LYS 26 + H THR 25 OK 56 98 - 58 - 5.7/6245=19, 2.9/6234=12...(12) HD2 LYS 31 - H THR 25 OK 36 100 - 37 - 2.9/6235=7, 544=5...(12) HD3 LYS 31 - H THR 25 OK 36 100 - 37 - 2.9/6235=7, 544=5...(12) QB ALA 88 - H THR 25 lone 6 100 - 6 - 2.1/6241=2, 2752/3.9=1 HD2 LYS 86 - H THR 25 lone 4 99 - 4 - HD3 LYS 86 - H THR 25 lone 4 99 - 4 - HB2 LEU 98 - H THR 25 lone 5 65 - 7 - ~11128=4 HD3 LYS 36 - H THR 25 lone 4 65 - 7 - 3.0/6234=2 HD2 LYS 36 - H THR 25 lone 4 65 - 7 - 3.0/6234=2 HD3 LYS 95 - H THR 25 lone 4 99 - 4 - HD2 LYS 95 - H THR 25 lone 3 81 - 3 - HB2 LEU 69 - H THR 25 lone 2 73 - 3 - 2182/3.6=1 Peak 6237 from nnoeabs.peaks (1.66, 8.10, 115.50 ppm; 4.32 A): 4 out of 13 assignments used, quality = 0.99: * HD3 LYS 24 + H THR 25 OK 79 100 - 79 - 5.4/6231=21, 3.0/522=19...(11) HD2 LYS 24 + H THR 25 OK 79 100 - 79 - 5.4/6231=21, 3.0/522=19...(11) HD2 LYS 26 + H THR 25 OK 58 100 - 58 - 5.7/6245=19, 2.9/6234=12...(12) HD3 LYS 26 + H THR 25 OK 57 99 - 58 - 5.7/6245=19, 2.9/6234=12...(12) HD3 LYS 31 - H THR 25 OK 37 100 - 37 - 2.9/6235=7, 544=5...(12) HD2 LYS 31 - H THR 25 OK 36 100 - 37 - 2.9/6235=7, 544=5...(12) QB ALA 88 - H THR 25 lone 6 100 - 6 - 2.1/6241=2, 2752/3.9=1 HB2 LEU 98 - H THR 25 lone 5 73 - 7 - ~11128=4 HD3 LYS 86 - H THR 25 lone 5 100 - 5 - HD2 LYS 86 - H THR 25 lone 5 100 - 5 - HD3 LYS 95 - H THR 25 lone 4 100 - 4 - HD2 LYS 95 - H THR 25 lone 3 87 - 3 - HB2 LEU 69 - H THR 25 lone 2 65 - 3 - 2182/3.6=1 Peak 6240 from nnoeabs.peaks (4.29, 8.10, 115.50 ppm; 2.85 A): 1 out of 9 assignments used, quality = 0.96: * HA THR 25 + H THR 25 OK 96 100 - 96 - 3.0=90, 3.0/583=20...(9) HA ARG 23 - H THR 25 OK 27 92 - 30 - 3.6/6228=16, 6246/6245=3...(7) HA THR 18 - H THR 25 lone 4 100 - 4 - HA ALA 15 - H THR 25 lone 2 87 - 2 - HA ALA 21 - H THR 25 lone 1 100 - 1 - HA ALA 110 - H THR 25 lone 1 81 - 1 - HA ALA 12 - H THR 25 lone 1 87 - 1 - HA SER 74 - H THR 25 lone 1 100 - 1 - HA GLN 61 - H THR 25 lone 0 57 - 0 - Peak 6241 from nnoeabs.peaks (4.20, 8.10, 115.50 ppm; 2.99 A): 1 out of 4 assignments used, quality = 0.79: * HB THR 25 + H THR 25 OK 79 100 - 79 - 3.9=43, 2.1/6242=28...(8) HB THR 18 - H THR 25 lone 3 73 - 4 - 580/3.0=1 HA ALA 88 - H THR 25 lone 3 99 - 3 - HA GLU 128 - H THR 25 lone 1 92 - 1 - Peak 6242 from nnoeabs.peaks (1.19, 8.10, 115.50 ppm; 2.92 A): 2 out of 2 assignments used, quality = 0.78: * QG2 THR 25 + H THR 25 OK 75 100 - 75 - 4.0=38, 2.1/583=27...(7) QG2 VAL 77 + H THR 25 OK 10 87 - 11 - ~11154=4, 581/3.0=4...(4) Peak 6243 from nnoeabs.peaks (8.37, 8.10, 115.50 ppm; 2.67 A): 2 out of 5 assignments used, quality = 0.86: H LYS 24 + H THR 25 OK 65 100 - 65 - 6228=29, 3.0/6231=19...(14) * H LYS 26 + H THR 25 OK 62 100 - 62 - 6245=31, 6246/3.0=14...(10) H GLY 14 - H THR 25 lone 2 96 - 2 - H HIS 3 - H THR 25 lone 0 65 - 0 - H THR 65 - H THR 25 lone 0 57 - 0 - Peak 6244 from nnoeabs.peaks (8.37, 8.37, 123.67 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 26 + H LYS 26 OK 100 100 - 100 Peak 6245 from nnoeabs.peaks (8.10, 8.37, 123.67 ppm; 3.13 A): 1 out of 1 assignment used, quality = 0.71: * H THR 25 + H LYS 26 OK 71 100 - 71 - 4.6=31, 3.0/6246=19...(13) Peak 6246 from nnoeabs.peaks (4.29, 8.37, 123.67 ppm; 2.50 A): 2 out of 9 assignments used, quality = 0.70: * HA THR 25 + H LYS 26 OK 59 100 - 59 - 3.6=34, 3.0/6245=15...(4) HA ARG 23 + H LYS 26 OK 27 92 - 29 - 424=12, 2.9/6209=4...(11) HA THR 18 - H LYS 26 lone 3 100 - 3 - HA ALA 15 - H LYS 26 lone 2 87 - 2 - HA ALA 12 - H LYS 26 lone 1 87 - 1 - HA ALA 21 - H LYS 26 lone 1 100 - 1 - HA ALA 110 - H LYS 26 lone 1 81 - 1 - HA SER 74 - H LYS 26 lone 0 100 - 0 - HA GLN 61 - H LYS 26 lone 0 57 - 0 - Peak 6247 from nnoeabs.peaks (4.20, 8.37, 123.67 ppm; 2.87 A): 1 out of 4 assignments used, quality = 0.65: * HB THR 25 + H LYS 26 OK 65 100 - 65 - 587=32, 2.1/6248=20...(6) HB THR 18 - H LYS 26 lone 3 73 - 4 - 580/3.6=1 HA ALA 88 - H LYS 26 lone 3 99 - 3 - HA GLU 128 - H LYS 26 lone 1 92 - 1 - Peak 6248 from nnoeabs.peaks (1.19, 8.37, 123.67 ppm; 3.41 A): 2 out of 2 assignments used, quality = 0.85: * QG2 THR 25 + H LYS 26 OK 83 100 - 83 - 4.3=51, 2.1/6247=35...(5) QG2 VAL 77 + H LYS 26 OK 14 87 - 16 - 581/3.6=4, 10758/4.6=4...(5) Peak 6249 from nnoeabs.peaks (4.27, 8.37, 123.67 ppm; 2.50 A): 3 out of 10 assignments used, quality = 0.84: * HA LYS 26 + H LYS 26 OK 76 100 - 76 - 2.9=61, 3.6/6258=12...(10) HA LYS 19 + H LYS 26 OK 24 99 - 24 - 593=7, 3.0/6250=3...(8) HA LYS 31 + H LYS 26 OK 11 73 - 15 - 3.0/6250=2, 3.8/6252=2...(5) HB THR 115 - H LYS 26 lone 7 92 - 8 - 3.0/11520=3, 11521=1 HA LYS 36 - H LYS 26 lone 5 87 - 6 - HA LEU 22 - H LYS 26 lone 4 73 - 5 - 3.6/6209=3, 10720/4.3=2 HA PHE 87 - H LYS 26 lone 2 96 - 2 - HA ALA 108 - H LYS 26 lone 1 73 - 1 - HA ALA 16 - H LYS 26 lone 0 81 - 1 - HA ALA 109 - H LYS 26 lone 0 73 - 1 - Peak 6250 from nnoeabs.peaks (1.75, 8.37, 123.67 ppm; 2.64 A): 5 out of 6 assignments used, quality = 0.92: * HB2 LYS 26 + H LYS 26 OK 66 100 - 66 - 4.0=28, 3.0/6249=12...(17) HB2 LYS 24 + H LYS 26 OK 43 98 - 44 - 4.7/6245=9, 490=7...(14) HB2 LYS 19 + H LYS 26 OK 28 100 - 28 - 604=5, 3.0/6249=4...(10) HB2 ARG 23 + H LYS 26 OK 24 92 - 27 - 3.0/424=6, 1.8/442=4...(11) HB2 LYS 31 + H LYS 26 OK 21 81 - 26 - 1.8/6251=3, 3.0/6252=3...(10) HG13 ILE 129 - H LYS 26 lone 2 87 - 2 - Peak 6251 from nnoeabs.peaks (1.82, 8.37, 123.67 ppm; 2.87 A): 5 out of 11 assignments used, quality = 0.94: * HB3 LYS 26 + H LYS 26 OK 74 100 - 74 - 4.0=35, 3.0/6249=15...(17) HB3 LYS 24 + H LYS 26 OK 45 92 - 49 - 4.7/6245=11, 1.8/6250=8...(15) HB3 ARG 23 + H LYS 26 OK 29 96 - 30 - 3.0/424=7, 1.8/6250=5...(9) HB3 LYS 19 + H LYS 26 OK 24 81 - 30 - 1.8/6250=6, 3.0/6249=5...(11) HB3 LYS 31 + H LYS 26 OK 24 81 - 30 - 1.8/6250=4, 3.0/6252=4...(11) HB ILE 32 - H LYS 26 OK 12 100 - 12 - 2.9/6252=2, ~10753=2...(5) HB2 LYS 36 - H LYS 26 OK 10 99 - 10 - 3.0/6253=1, 985/2.9=1 HB2 LEU 100 - H LYS 26 lone 5 98 - 5 - 1.8/6253=1 HB3 LEU 123 - H LYS 26 lone 2 73 - 3 - HB3 ARG 135 - H LYS 26 lone 1 100 - 1 - HB VAL 93 - H LYS 26 lone 0 65 - 1 - Peak 6252 from nnoeabs.peaks (1.43, 8.37, 123.67 ppm; 3.39 A): 4 out of 4 assignments used, quality = 0.88: * HG2 LYS 26 + H LYS 26 OK 79 100 - 79 - 4.9=33, 4.0/6249=14...(23) HG2 LYS 31 + H LYS 26 OK 25 65 - 38 - 1.8/6253=4, 597/2.9=4...(13) HG13 ILE 32 + H LYS 26 OK 17 87 - 19 - ~10753=4, 597/2.9=3...(8) QB ALA 92 + H LYS 26 OK 10 98 - 10 - 11317/4.0=3, 6264/4.6=2...(4) Peak 6253 from nnoeabs.peaks (1.38, 8.37, 123.67 ppm; 3.36 A): 2 out of 15 assignments used, quality = 0.93: * HG3 LYS 26 + H LYS 26 OK 82 100 - 83 - 4.9=32, 1.8/6252=21...(22) HG2 LYS 24 + H LYS 26 OK 60 99 - 61 - 512=11, 2.9/6250=8...(17) HG3 LYS 31 - H LYS 26 OK 25 65 - 38 - 1.8/6252=7, 3.0/6250=4...(13) HG2 LYS 36 - H LYS 26 OK 17 100 - 17 - 1007/2.9=3, 1008/4.0=2...(4) HB3 LEU 100 - H LYS 26 lone 9 99 - 9 - 3243/4.0=2, 6234/4.6=1 QB ALA 28 - H LYS 26 lone 8 99 - 8 - 6265/4.6=3, 10691/4.3=1 QB ALA 15 - H LYS 26 lone 5 100 - 5 - 2.9/6115=1 QB ALA 29 - H LYS 26 lone 4 100 - 4 - 6265/4.6=1 HG3 LYS 95 - H LYS 26 lone 4 96 - 4 - HG2 LYS 95 - H LYS 26 lone 3 87 - 4 - HB2 LEU 96 - H LYS 26 lone 2 100 - 2 - QB ALA 110 - H LYS 26 lone 2 100 - 2 - QB ALA 108 - H LYS 26 lone 2 98 - 2 - HB2 LEU 42 - H LYS 26 lone 1 98 - 1 - QB ALA 109 - H LYS 26 lone 1 81 - 1 - Peak 6254 from nnoeabs.peaks (1.66, 8.37, 123.67 ppm; 3.98 A): 6 out of 13 assignments used, quality = 1.00: * HD2 LYS 26 + H LYS 26 OK 84 100 - 84 - 5.7=34, 2.9/6252=21...(24) HD3 LYS 26 + H LYS 26 OK 83 99 - 83 - 5.7=34, 2.9/6252=21...(23) HD3 LYS 24 + H LYS 26 OK 58 100 - 59 - 3.0/6253=9, 3.5/6250=8...(23) HD2 LYS 24 + H LYS 26 OK 58 100 - 59 - 3.0/6253=9, 3.5/6250=8...(23) HD2 LYS 31 + H LYS 26 OK 53 100 - 53 - 2.9/6252=7, 3.5/6250=4...(25) HD3 LYS 31 + H LYS 26 OK 53 100 - 53 - 2.9/6252=7, 3.5/6250=4...(25) HD3 LYS 86 - H LYS 26 lone 8 100 - 8 - 3.5/10744=4 HD2 LYS 86 - H LYS 26 lone 8 100 - 8 - 3.5/10744=4 QB ALA 88 - H LYS 26 lone 6 100 - 6 - 2.1/6247=2, 2752/4.3=1 HD3 LYS 95 - H LYS 26 lone 5 100 - 5 - HD2 LYS 95 - H LYS 26 lone 4 87 - 4 - HB2 LEU 98 - H LYS 26 lone 2 73 - 2 - HB2 LEU 69 - H LYS 26 lone 1 65 - 1 - Peak 6255 from nnoeabs.peaks (1.66, 8.37, 123.67 ppm; 3.98 A): 6 out of 15 assignments used, quality = 1.00: HD2 LYS 26 + H LYS 26 OK 84 99 - 84 - 5.7=34, 2.9/6252=21...(24) * HD3 LYS 26 + H LYS 26 OK 83 100 - 83 - 5.7=34, 2.9/6252=21...(23) HD3 LYS 24 + H LYS 26 OK 58 99 - 59 - 3.0/6253=9, 3.5/6250=8...(23) HD2 LYS 24 + H LYS 26 OK 57 98 - 59 - 3.0/6253=9, 3.5/6250=8...(23) HD3 LYS 31 + H LYS 26 OK 52 99 - 53 - 2.9/6252=7, 3.5/6250=4...(25) HD2 LYS 31 + H LYS 26 OK 52 98 - 53 - 2.9/6252=7, 3.5/6250=4...(25) HD2 LYS 19 - H LYS 26 OK 29 65 - 45 - 3.0/523=6, 3.9/6250=5...(16) HD3 LYS 19 - H LYS 26 OK 29 65 - 45 - 3.0/523=6, 3.9/6250=5...(16) HD3 LYS 86 - H LYS 26 lone 8 100 - 8 - 3.5/10744=4 HD2 LYS 86 - H LYS 26 lone 8 100 - 8 - 3.5/10744=4 QB ALA 88 - H LYS 26 lone 6 98 - 6 - 2.1/6247=2, 2752/4.3=1 HD3 LYS 95 - H LYS 26 lone 5 100 - 5 - HD2 LYS 95 - H LYS 26 lone 4 96 - 4 - HB2 LEU 123 - H LYS 26 lone 4 73 - 5 - HB2 LEU 98 - H LYS 26 lone 2 87 - 2 - Peak 6258 from nnoeabs.peaks (8.39, 8.37, 123.67 ppm; 2.50 A): 1 out of 4 assignments used, quality = 0.61: * H GLN 27 + H LYS 26 OK 61 100 - 61 - 6260=38, 603/2.9=13...(10) H ASP 35 - H LYS 26 lone 8 99 - 8 - 603/2.9=2, 10884/4.0=2...(5) H THR 65 - H LYS 26 lone 1 73 - 1 - H HIS 3 - H LYS 26 lone 0 65 - 1 - Peak 6259 from nnoeabs.peaks (8.39, 8.39, 121.72 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLN 27 + H GLN 27 OK 100 100 - 100 Peak 6260 from nnoeabs.peaks (8.37, 8.39, 121.72 ppm; 2.50 A): 2 out of 5 assignments used, quality = 0.71: * H LYS 26 + H GLN 27 OK 64 100 - 65 - 6258=43, 2.9/603=13...(10) H LYS 24 + H GLN 27 OK 18 100 - 18 - 593/3.6=3, 626/5.0=2...(9) H GLY 14 - H GLN 27 lone 1 96 - 1 - H THR 65 - H GLN 27 lone 1 57 - 1 - H HIS 3 - H GLN 27 lone 0 65 - 0 - Peak 6261 from nnoeabs.peaks (4.27, 8.39, 121.72 ppm; 2.50 A): 2 out of 10 assignments used, quality = 0.69: * HA LYS 26 + H GLN 27 OK 62 100 - 62 - 3.6=34, 2.9/6258=17...(8) HA LYS 19 + H GLN 27 OK 17 99 - 18 - 603=8, 3.0/614=2...(6) HA LYS 31 - H GLN 27 lone 7 73 - 10 - 3.0/6262=1, 3.0/6263=1...(4) HA LYS 36 - H GLN 27 lone 6 87 - 7 - 3.0/6387=3 HB THR 115 - H GLN 27 lone 3 92 - 4 - 11521/4.6=2 HA PHE 87 - H GLN 27 lone 1 96 - 1 - HA LEU 22 - H GLN 27 lone 1 73 - 1 - HA ALA 16 - H GLN 27 lone 1 81 - 1 - HA ALA 108 - H GLN 27 lone 0 73 - 1 - HA ALA 109 - H GLN 27 lone 0 73 - 0 - Peak 6262 from nnoeabs.peaks (1.75, 8.39, 121.72 ppm; 3.19 A): 5 out of 6 assignments used, quality = 0.92: * HB2 LYS 26 + H GLN 27 OK 79 100 - 80 - 4.5=36, 1.8/625=25...(9) HB2 LYS 24 + H GLN 27 OK 33 98 - 34 - 614=9, 1.8/6263=5...(11) HB2 LYS 19 + H GLN 27 OK 24 100 - 24 - 614=6, 3.0/6261=5...(8) HB2 LYS 31 + H GLN 27 OK 16 81 - 20 - 1.8/6263=3, 3.0/6264=2...(11) HB2 ARG 23 + H GLN 27 OK 13 92 - 15 - 4.2/6260=4, 433/4.6=3...(5) HG13 ILE 129 - H GLN 27 lone 2 87 - 3 - Peak 6263 from nnoeabs.peaks (1.82, 8.39, 121.72 ppm; 3.19 A): 7 out of 11 assignments used, quality = 0.92: * HB3 LYS 26 + H GLN 27 OK 79 100 - 79 - 4.5=36, 1.8/614=21...(9) HB3 LYS 24 + H GLN 27 OK 29 92 - 32 - 1.8/614=7, 625=7...(11) HB3 LYS 31 + H GLN 27 OK 15 81 - 19 - 1.8/6262=3, 3.0/6264=2...(10) HB3 LYS 19 + H GLN 27 OK 14 81 - 18 - 3.0/6261=5, 1.8/614=5...(5) HB3 ARG 23 + H GLN 27 OK 14 96 - 15 - 4.2/6260=4, 442/4.6=3...(5) HB2 LYS 36 + H GLN 27 OK 11 99 - 11 - 3.9/6387=3, 3.0/6261=2...(4) HB ILE 32 + H GLN 27 OK 10 100 - 10 - 2.9/6264=2, 900/5.0=2...(4) HB3 LEU 123 - H GLN 27 lone 5 73 - 6 - ~10760=3 HB2 LEU 100 - H GLN 27 lone 4 98 - 4 - HB3 ARG 135 - H GLN 27 lone 1 100 - 1 - HB VAL 93 - H GLN 27 lone 1 65 - 1 - Peak 6264 from nnoeabs.peaks (1.43, 8.39, 121.72 ppm; 4.17 A): 2 out of 4 assignments used, quality = 0.95: * HG2 LYS 26 + H GLN 27 OK 93 100 - 93 - 5.0=59, 3.0/625=27...(11) QB ALA 92 + H GLN 27 OK 28 98 - 28 - 9948/4.0=10, 11319/4.6=5...(8) HG2 LYS 31 - H GLN 27 OK 23 65 - 35 - 6252/4.6=5, 597/3.6=5...(12) HG13 ILE 32 - H GLN 27 OK 22 87 - 26 - 10765/4.6=6, 597/3.6=4...(8) Peak 6265 from nnoeabs.peaks (1.38, 8.39, 121.72 ppm; 3.54 A): 3 out of 15 assignments used, quality = 0.97: * HG3 LYS 26 + H GLN 27 OK 85 100 - 85 - 5.0=36, 1.8/636=25...(14) QB ALA 28 + H GLN 27 OK 62 99 - 62 - 2.9/6295=32, 2.1/6270=12...(8) HG2 LYS 24 + H GLN 27 OK 41 99 - 42 - 647=9, 2.9/6262=6...(12) QB ALA 29 - H GLN 27 OK 20 100 - 20 - 6304/4.6=6, 10768/3.0=4...(7) HG2 LYS 36 - H GLN 27 OK 17 100 - 17 - 5.0/6387=3, 1007/3.6=2...(7) HG3 LYS 31 - H GLN 27 OK 16 65 - 25 - 1.8/6264=4, 3.0/6262=3...(11) HB3 LEU 100 - H GLN 27 lone 7 99 - 7 - 3243/4.5=2 HG3 LYS 95 - H GLN 27 lone 4 96 - 4 - HG2 LYS 95 - H GLN 27 lone 4 87 - 4 - QB ALA 15 - H GLN 27 lone 3 100 - 3 - HB2 LEU 96 - H GLN 27 lone 3 100 - 3 - QB ALA 108 - H GLN 27 lone 2 98 - 2 - HB2 LEU 42 - H GLN 27 lone 2 98 - 2 - QB ALA 110 - H GLN 27 lone 2 100 - 2 - QB ALA 109 - H GLN 27 lone 1 81 - 2 - Peak 6266 from nnoeabs.peaks (1.66, 8.39, 121.72 ppm; 4.39 A): 2 out of 13 assignments used, quality = 0.96: * HD2 LYS 26 + H GLN 27 OK 80 100 - 80 - 2.9/636=28, 3.5/625=25...(7) HD3 LYS 26 + H GLN 27 OK 80 99 - 80 - 2.9/636=28, 3.5/625=25...(7) HD2 LYS 24 - H GLN 27 OK 36 100 - 36 - 3.5/6262=7, 3.0/647=7...(11) HD3 LYS 24 - H GLN 27 OK 36 100 - 36 - 3.5/6262=7, 3.0/647=7...(11) HD2 LYS 31 - H GLN 27 OK 30 100 - 30 - 2.9/6264=5, 632/5.0=4...(11) HD3 LYS 31 - H GLN 27 OK 30 100 - 30 - 2.9/6264=5, 632/5.0=4...(11) HD3 LYS 95 - H GLN 27 lone 4 100 - 4 - HD3 LYS 86 - H GLN 27 lone 3 100 - 3 - HD2 LYS 86 - H GLN 27 lone 3 100 - 3 - HD2 LYS 95 - H GLN 27 lone 3 87 - 4 - QB ALA 88 - H GLN 27 lone 3 100 - 3 - ~7173=1 HB2 LEU 69 - H GLN 27 lone 1 65 - 2 - HB2 LEU 98 - H GLN 27 lone 1 73 - 1 - Peak 6267 from nnoeabs.peaks (1.66, 8.39, 121.72 ppm; 4.39 A): 2 out of 15 assignments used, quality = 0.96: * HD3 LYS 26 + H GLN 27 OK 80 100 - 80 - 2.9/636=28, 3.5/625=25...(7) HD2 LYS 26 + H GLN 27 OK 80 99 - 80 - 2.9/636=28, 3.5/625=25...(7) HD3 LYS 24 - H GLN 27 OK 35 99 - 36 - 3.5/6262=7, 3.0/647=7...(11) HD2 LYS 24 - H GLN 27 OK 35 98 - 36 - 3.5/6262=7, 3.0/647=7...(11) HD3 LYS 31 - H GLN 27 OK 30 99 - 30 - 2.9/6264=5, 632/5.0=4...(11) HD2 LYS 31 - H GLN 27 OK 29 98 - 30 - 2.9/6264=5, 632/5.0=4...(11) HD2 LYS 19 - H GLN 27 OK 13 65 - 21 - 3.9/6262=5, 5.2/6261=5...(8) HD3 LYS 19 - H GLN 27 OK 13 65 - 21 - 3.9/6262=5, 5.2/6261=5...(8) HB2 LEU 123 - H GLN 27 poor 9 73 - 13 - ~10760=8, 1.8/6263=1 HD3 LYS 95 - H GLN 27 lone 4 100 - 4 - HD2 LYS 95 - H GLN 27 lone 4 96 - 4 - HD2 LYS 86 - H GLN 27 lone 3 100 - 3 - HD3 LYS 86 - H GLN 27 lone 3 100 - 3 - QB ALA 88 - H GLN 27 lone 3 98 - 3 - ~7173=1 HB2 LEU 98 - H GLN 27 lone 1 87 - 1 - Peak 6270 from nnoeabs.peaks (4.24, 8.39, 121.72 ppm; 2.50 A): 2 out of 4 assignments used, quality = 0.87: * HA GLN 27 + H GLN 27 OK 80 100 - 81 - 3.0=61, 3.0/6271=15...(9) HA ALA 28 + H GLN 27 OK 31 87 - 36 - 3.0/6295=17, 2.1/6265=4...(10) HA SER 124 - H GLN 27 lone 4 98 - 4 - HA ARG 84 - H GLN 27 lone 2 96 - 2 - Peak 6271 from nnoeabs.peaks (1.96, 8.39, 121.72 ppm; 2.66 A): 2 out of 3 assignments used, quality = 0.75: * HB2 GLN 27 + H GLN 27 OK 71 100 - 71 - 4.0=28, 1.8/710=18...(12) HB ILE 37 + H GLN 27 OK 14 98 - 14 - 694/3.0=4, 712/4.0=2...(7) HB2 GLU 30 - H GLN 27 lone 1 65 - 2 - Peak 6272 from nnoeabs.peaks (2.06, 8.39, 121.72 ppm; 3.01 A): 2 out of 7 assignments used, quality = 0.90: * HB3 GLN 27 + H GLN 27 OK 86 100 - 86 - 4.0=41, 1.8/6271=32...(14) HB2 GLN 127 + H GLN 27 OK 29 96 - 30 - 695/3.0=6, 3.0/6273=4...(11) HB VAL 118 - H GLN 27 poor 10 96 - 10 - 695/3.0=2, 704/4.0=2...(5) HG2 PRO 117 - H GLN 27 lone 7 81 - 9 - 695/3.0=2, 731/4.6=1...(5) HG3 PRO 113 - H GLN 27 lone 3 100 - 3 - HB2 LEU 62 - H GLN 27 lone 3 96 - 3 - HG3 PRO 81 - H GLN 27 lone 1 65 - 1 - Peak 6273 from nnoeabs.peaks (2.35, 8.39, 121.72 ppm; 2.99 A): 2 out of 5 assignments used, quality = 0.94: * HG2 GLN 27 + H GLN 27 OK 80 100 - 80 - 719=31, 1.8/728=24...(12) HG3 GLN 27 + H GLN 27 OK 69 87 - 80 - 4.6=27, 1.8/719=24...(13) HG2 GLN 127 - H GLN 27 OK 30 99 - 30 - 11606/3.0=11, 3.0/6272=5...(9) HB2 PRO 117 - H GLN 27 lone 4 65 - 7 - 2.3/6272=2, 715/4.0=1...(4) HG2 GLU 102 - H GLN 27 lone 2 87 - 2 - Peak 6274 from nnoeabs.peaks (2.36, 8.39, 121.72 ppm; 2.99 A): 2 out of 5 assignments used, quality = 0.94: * HG3 GLN 27 + H GLN 27 OK 81 100 - 81 - 728=31, 1.8/719=24...(14) HG2 GLN 27 + H GLN 27 OK 68 87 - 79 - 4.6=27, 1.8/728=24...(11) HG2 GLN 127 - H GLN 27 OK 28 96 - 29 - 11606/3.0=10, 3.0/6272=5...(9) HB2 PRO 117 - H GLN 27 lone 7 98 - 7 - 2.3/6272=2, 715/4.0=1...(4) HG2 GLU 102 - H GLN 27 lone 2 100 - 2 - Peak 6277 from nnoeabs.peaks (8.33, 8.39, 121.72 ppm; 4.23 A): 1 out of 4 assignments used, quality = 0.96: * H ALA 28 + H GLN 27 OK 96 100 - 96 - 4.6=76, 700/3.0=37...(13) H GLU 44 - H GLN 27 OK 11 87 - 13 - 709/4.0=3, 718/4.0=3...(5) H TYR 72 - H GLN 27 OK 11 92 - 12 - 709/4.0=3, 700/3.0=3...(5) H GLY 17 - H GLN 27 lone 6 81 - 7 - 700/3.0=1, 709/4.0=1...(4) Peak 6278 from nnoeabs.peaks (6.85, 6.85, 112.56 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 27 + HE21 GLN 27 OK 100 100 - 100 Peak 6282 from nnoeabs.peaks (2.06, 6.85, 112.56 ppm; 5.58 A): 3 out of 7 assignments used, quality = 1.00: * HB3 GLN 27 + HE21 GLN 27 OK 100 100 - 100 - 4.6=100 HB VAL 118 + HE21 GLN 27 OK 57 96 - 59 - ~10266=17, ~10268=15...(12) HB2 GLN 127 + HE21 GLN 27 OK 56 96 - 58 - 722/3.5=12, 731/3.5=11...(12) HG2 PRO 117 - HE21 GLN 27 OK 34 81 - 42 - ~3680=6, ~3672=6...(14) HG3 PRO 113 - HE21 GLN 27 lone 9 100 - 9 - 704/4.6=2, 722/3.5=1...(5) HB2 LEU 62 - HE21 GLN 27 lone 7 96 - 8 - 695/5.9=1, 722/3.5=1, 731/3.5=1 HG3 PRO 81 - HE21 GLN 27 lone 5 65 - 8 - ~11190=3, ~11914=1 Peak 6283 from nnoeabs.peaks (2.35, 6.85, 112.56 ppm; 3.76 A): 2 out of 5 assignments used, quality = 1.00: * HG2 GLN 27 + HE21 GLN 27 OK 100 100 - 100 - 3.5=100 HG3 GLN 27 + HE21 GLN 27 OK 87 87 - 100 - 3.5=100 HG2 GLN 127 - HE21 GLN 27 OK 31 99 - 31 - 11606/5.9=6, 6291/1.7=5...(12) HB2 PRO 117 - HE21 GLN 27 OK 14 65 - 21 - ~3704=3, 6292/1.7=2...(11) HG2 GLU 102 - HE21 GLN 27 lone 4 87 - 5 - Peak 6284 from nnoeabs.peaks (2.36, 6.85, 112.56 ppm; 3.76 A): 2 out of 5 assignments used, quality = 1.00: * HG3 GLN 27 + HE21 GLN 27 OK 100 100 - 100 - 3.5=100 HG2 GLN 27 + HE21 GLN 27 OK 87 87 - 100 - 3.5=100 HG2 GLN 127 - HE21 GLN 27 OK 28 96 - 30 - 11606/5.9=5, 6292/1.7=4...(12) HB2 PRO 117 - HE21 GLN 27 OK 22 98 - 22 - 6292/1.7=3, ~3704=3...(11) HG2 GLU 102 - HE21 GLN 27 lone 5 100 - 5 - Peak 6285 from nnoeabs.peaks (7.54, 6.85, 112.56 ppm; 2.50 A): 1 out of 3 assignments used, quality = 1.00: * HE22 GLN 27 + HE21 GLN 27 OK 100 100 - 100 - 1.7=100 H LEU 119 - HE21 GLN 27 lone 2 73 - 3 - 726/3.5=1 H VAL 77 - HE21 GLN 27 lone 2 73 - 3 - Peak 6286 from nnoeabs.peaks (7.54, 7.54, 112.56 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 27 + HE22 GLN 27 OK 100 100 - 100 Peak 6287 from nnoeabs.peaks (8.39, 7.54, 112.56 ppm; 6.80 A): 1 out of 4 assignments used, quality = 1.00: * H GLN 27 + HE22 GLN 27 OK 100 100 - 100 - 6.8=100 H ASP 35 - HE22 GLN 27 OK 35 99 - 36 - 701/4.6=10, 710/4.6=9...(5) H THR 65 - HE22 GLN 27 OK 12 73 - 16 - 11784/9295=6, 710/4.6=2...(6) H HIS 3 - HE22 GLN 27 lone 4 65 - 5 - Peak 6288 from nnoeabs.peaks (4.24, 7.54, 112.56 ppm; 6.80 A): 2 out of 4 assignments used, quality = 1.00: * HA GLN 27 + HE22 GLN 27 OK 100 100 - 100 - 5.9=100 HA ALA 28 + HE22 GLN 27 OK 73 87 - 85 - ~727=28, ~736=28...(9) HA SER 124 - HE22 GLN 27 OK 19 98 - 20 - 3966/4.6=6, 729/3.5=3...(6) HA ARG 84 - HE22 GLN 27 lone 8 96 - 8 - 711/4.6=1, 702/4.6=1 Peak 6290 from nnoeabs.peaks (2.06, 7.54, 112.56 ppm; 6.80 A): 3 out of 7 assignments used, quality = 1.00: * HB3 GLN 27 + HE22 GLN 27 OK 100 100 - 100 - 4.6=100 HB2 GLN 127 + HE22 GLN 27 OK 65 96 - 68 - 4039/5.9=13, 722/3.5=12...(12) HB VAL 118 + HE22 GLN 27 OK 64 96 - 67 - ~10266=23, ~10268=21...(13) HG2 PRO 117 - HE22 GLN 27 OK 41 81 - 51 - ~3680=8, ~3672=8...(14) HG3 PRO 113 - HE22 GLN 27 OK 12 100 - 12 - 704/4.6=2, 6282/1.7=2...(5) HB2 LEU 62 - HE22 GLN 27 OK 10 96 - 11 - 695/5.9=2, 6282/1.7=1...(5) HG3 PRO 81 - HE22 GLN 27 poor 7 65 - 10 - 2.3/11190=4, 6282/1.7=1 Peak 6291 from nnoeabs.peaks (2.35, 7.54, 112.56 ppm; 3.45 A): 2 out of 5 assignments used, quality = 1.00: * HG2 GLN 27 + HE22 GLN 27 OK 99 100 - 99 - 3.5=98, 721/4.6=15...(9) HG3 GLN 27 + HE22 GLN 27 OK 86 87 - 99 - 3.5=98, 730/4.6=11...(9) HG2 GLN 127 - HE22 GLN 27 OK 25 99 - 26 - 11606/5.9=5, 6283/1.7=4...(12) HB2 PRO 117 - HE22 GLN 27 OK 12 65 - 18 - 6284/1.7=2, ~3704=2...(10) HG2 GLU 102 - HE22 GLN 27 lone 3 87 - 4 - Peak 6292 from nnoeabs.peaks (2.36, 7.54, 112.56 ppm; 3.45 A): 2 out of 5 assignments used, quality = 1.00: * HG3 GLN 27 + HE22 GLN 27 OK 99 100 - 99 - 3.5=98, 730/4.6=15...(9) HG2 GLN 27 + HE22 GLN 27 OK 86 87 - 99 - 3.5=98, 721/4.6=11...(9) HG2 GLN 127 - HE22 GLN 27 OK 23 96 - 25 - 11606/5.9=4, 6284/1.7=4...(11) HB2 PRO 117 - HE22 GLN 27 OK 19 98 - 19 - 6284/1.7=3, ~3704=2...(10) HG2 GLU 102 - HE22 GLN 27 lone 4 100 - 4 - Peak 6293 from nnoeabs.peaks (6.85, 7.54, 112.56 ppm; 2.50 A): 1 out of 2 assignments used, quality = 1.00: * HE21 GLN 27 + HE22 GLN 27 OK 100 100 - 100 - 1.7=100 HE21 GLN 68 - HE22 GLN 27 lone 2 73 - 2 - Peak 6294 from nnoeabs.peaks (8.33, 8.33, 125.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 28 + H ALA 28 OK 100 100 - 100 Peak 6295 from nnoeabs.peaks (8.39, 8.33, 125.44 ppm; 2.50 A): 1 out of 4 assignments used, quality = 0.51: * H GLN 27 + H ALA 28 OK 51 100 - 51 - 4.6=16, 3.0/700=15...(9) H ASP 35 - H ALA 28 lone 7 99 - 7 - 692/3.6=2, 701/4.6=2, 710/4.6=1 H THR 65 - H ALA 28 lone 1 73 - 1 - H HIS 3 - H ALA 28 lone 0 65 - 1 - Peak 6296 from nnoeabs.peaks (4.24, 8.33, 125.44 ppm; 2.50 A): 2 out of 4 assignments used, quality = 0.88: * HA GLN 27 + H ALA 28 OK 67 100 - 67 - 3.6=34, 3.0/6295=17...(12) HA ALA 28 + H ALA 28 OK 65 87 - 75 - 3.0=61, 2.1/741=14...(10) HA SER 124 - H ALA 28 lone 4 98 - 4 - HA ARG 84 - H ALA 28 lone 1 96 - 1 - Peak 6297 from nnoeabs.peaks (1.96, 8.33, 125.44 ppm; 3.33 A): 2 out of 3 assignments used, quality = 0.90: * HB2 GLN 27 + H ALA 28 OK 87 100 - 87 - 4.6=37, 3.0/700=26...(15) HB ILE 37 + H ALA 28 OK 20 98 - 20 - 694/3.6=5, 2.1/9023=3...(8) HB2 GLU 30 - H ALA 28 poor 8 65 - 12 - 10787/4.6=3, 10797/2.9=2...(6) Peak 6298 from nnoeabs.peaks (2.06, 8.33, 125.44 ppm; 3.20 A): 3 out of 7 assignments used, quality = 0.90: * HB3 GLN 27 + H ALA 28 OK 85 100 - 85 - 4.6=33, 1.8/6297=25...(15) HB2 GLN 127 + H ALA 28 OK 24 96 - 26 - 695/3.6=6, 3.0/6299=3...(10) HB VAL 118 + H ALA 28 OK 13 96 - 13 - 10788/4.6=2, 695/3.6=2...(8) HG2 PRO 117 - H ALA 28 lone 6 81 - 7 - 695/3.6=1, 731/4.9=1...(4) HB2 LEU 62 - H ALA 28 lone 4 96 - 4 - HG3 PRO 113 - H ALA 28 lone 3 100 - 3 - HG3 PRO 81 - H ALA 28 lone 1 65 - 1 - Peak 6299 from nnoeabs.peaks (2.35, 8.33, 125.44 ppm; 3.84 A): 2 out of 5 assignments used, quality = 0.98: * HG2 GLN 27 + H ALA 28 OK 92 100 - 92 - 4.9=50, 3.7/700=27...(13) HG3 GLN 27 + H ALA 28 OK 80 87 - 92 - 4.9=50, 3.7/700=27...(13) HG2 GLN 127 - H ALA 28 OK 37 99 - 37 - 11606/3.6=14, 3.0/6298=6...(9) HB2 PRO 117 - H ALA 28 lone 5 65 - 8 - 2.3/6298=2, 715/4.6=2...(4) HG2 GLU 102 - H ALA 28 lone 2 87 - 2 - Peak 6300 from nnoeabs.peaks (2.36, 8.33, 125.44 ppm; 3.84 A): 2 out of 5 assignments used, quality = 0.98: * HG3 GLN 27 + H ALA 28 OK 92 100 - 92 - 4.9=50, 3.7/700=27...(13) HG2 GLN 27 + H ALA 28 OK 80 87 - 92 - 4.9=50, 3.7/700=27...(13) HG2 GLN 127 - H ALA 28 OK 34 96 - 36 - 11606/3.6=13, 3.0/6298=6...(9) HB2 PRO 117 - H ALA 28 lone 9 98 - 9 - 715/4.6=2, 706/4.6=2...(4) HG2 GLU 102 - H ALA 28 lone 3 100 - 3 - Peak 6303 from nnoeabs.peaks (4.24, 8.33, 125.44 ppm; 2.50 A): 3 out of 6 assignments used, quality = 0.92: * HA ALA 28 + H ALA 28 OK 74 100 - 75 - 3.0=61, 2.1/741=14...(10) HA GLN 27 + H ALA 28 OK 58 87 - 67 - 3.6=34, 3.0/6295=17...(13) HA ALA 29 + H ALA 28 OK 25 65 - 38 - 2.9/6305=14, 2.1/6304=8...(11) HA SER 124 - H ALA 28 lone 4 98 - 4 - HA SER 94 - H ALA 28 lone 1 92 - 1 - HA ARG 84 - H ALA 28 lone 1 57 - 1 - Peak 6304 from nnoeabs.peaks (1.38, 8.33, 125.44 ppm; 2.50 A): 3 out of 15 assignments used, quality = 0.90: * QB ALA 28 + H ALA 28 OK 77 100 - 77 - 2.9=63, 2.1/6296=13...(11) QB ALA 29 + H ALA 28 OK 49 98 - 50 - 741=14, 2.9/6305=14...(13) HG3 LYS 26 + H ALA 28 OK 12 99 - 12 - 5.0/6295=5, 10768/3.6=3 HG2 LYS 24 - H ALA 28 lone 4 96 - 4 - 647/4.6=1 HG2 LYS 36 - H ALA 28 lone 3 98 - 3 - QB ALA 15 - H ALA 28 lone 3 100 - 3 - HB2 LEU 42 - H ALA 28 lone 3 92 - 3 - HG3 LYS 31 - H ALA 28 lone 2 81 - 2 - HB2 LEU 96 - H ALA 28 lone 1 98 - 1 - QB ALA 110 - H ALA 28 lone 1 100 - 1 - QB ALA 108 - H ALA 28 lone 1 100 - 1 - HB3 LEU 100 - H ALA 28 lone 1 96 - 1 - HG3 LYS 95 - H ALA 28 lone 1 99 - 1 - HG2 LYS 95 - H ALA 28 lone 1 96 - 1 - QB ALA 109 - H ALA 28 lone 1 92 - 1 - Peak 6305 from nnoeabs.peaks (8.25, 8.33, 125.44 ppm; 3.00 A): 1 out of 2 assignments used, quality = 0.74: * H ALA 29 + H ALA 28 OK 74 100 - 74 - 6307=41, 740/3.0=26...(11) H ARG 23 - H ALA 28 lone 9 98 - 9 - 3.8/10770=6, 740/3.0=1 Peak 6306 from nnoeabs.peaks (8.25, 8.25, 122.97 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 29 + H ALA 29 OK 100 100 - 100 Peak 6307 from nnoeabs.peaks (8.33, 8.25, 122.97 ppm; 3.10 A): 1 out of 4 assignments used, quality = 0.77: * H ALA 28 + H ALA 29 OK 77 100 - 77 - 6305=44, 3.0/740=28...(12) H GLU 44 - H ALA 29 lone 4 87 - 4 - 10778/2.9=2 H TYR 72 - H ALA 29 lone 2 92 - 2 - H GLY 17 - H ALA 29 lone 1 81 - 1 - Peak 6308 from nnoeabs.peaks (4.24, 8.25, 122.97 ppm; 2.50 A): 3 out of 6 assignments used, quality = 0.86: * HA ALA 28 + H ALA 29 OK 66 100 - 66 - 740=47, 3.0/6305=14...(8) HA ALA 29 + H ALA 29 OK 49 65 - 75 - 2.9=62, 2.1/749=14...(10) HA GLN 27 + H ALA 29 OK 19 87 - 22 - 3.6/6307=11, 3.0/10788=5...(5) HA SER 124 - H ALA 29 lone 1 98 - 1 - HA SER 94 - H ALA 29 lone 1 92 - 1 - HA ARG 84 - H ALA 29 lone 0 57 - 0 - Peak 6309 from nnoeabs.peaks (1.38, 8.25, 122.97 ppm; 2.50 A): 2 out of 15 assignments used, quality = 0.92: QB ALA 29 + H ALA 29 OK 79 98 - 80 - 2.9=62, 2.1/745=26...(12) * QB ALA 28 + H ALA 29 OK 65 100 - 65 - 3.7=31, 2.1/740=26...(10) HG3 LYS 26 - H ALA 29 lone 3 99 - 3 - HG2 LYS 24 - H ALA 29 lone 2 96 - 2 - 5.1/6211=1 QB ALA 15 - H ALA 29 lone 2 100 - 2 - HG2 LYS 36 - H ALA 29 lone 2 98 - 2 - HB2 LEU 96 - H ALA 29 lone 1 98 - 1 - HB3 LEU 100 - H ALA 29 lone 1 96 - 1 - HB2 LEU 42 - H ALA 29 lone 1 92 - 1 - QB ALA 110 - H ALA 29 lone 1 100 - 1 - HG3 LYS 31 - H ALA 29 lone 1 81 - 1 - HG3 LYS 95 - H ALA 29 lone 1 99 - 1 - HG2 LYS 95 - H ALA 29 lone 1 96 - 1 - QB ALA 108 - H ALA 29 lone 1 100 - 1 - QB ALA 109 - H ALA 29 lone 1 92 - 1 - Peak 6310 from nnoeabs.peaks (4.23, 8.25, 122.97 ppm; 2.50 A): 3 out of 6 assignments used, quality = 0.91: * HA ALA 29 + H ALA 29 OK 77 100 - 77 - 2.9=62, 2.1/749=14...(10) HA ALA 28 + H ALA 29 OK 37 65 - 56 - 3.6=34, 3.0/6305=14...(8) HA GLU 30 + H ALA 29 OK 36 98 - 37 - 3.0/6314=14, 10796/2.9=5...(15) HA ALA 34 - H ALA 29 lone 6 96 - 7 - 10868=4 HA SER 94 - H ALA 29 lone 1 96 - 1 - HB3 SER 38 - H ALA 29 lone 0 87 - 0 - Peak 6311 from nnoeabs.peaks (1.38, 8.25, 122.97 ppm; 2.50 A): 2 out of 14 assignments used, quality = 0.93: * QB ALA 29 + H ALA 29 OK 80 100 - 80 - 2.9=62, 2.1/745=26...(12) QB ALA 28 + H ALA 29 OK 63 98 - 65 - 3.7=31, 2.1/740=26...(10) HG3 LYS 26 - H ALA 29 lone 3 100 - 3 - HG2 LYS 24 - H ALA 29 lone 2 100 - 2 - 5.1/6211=1 QB ALA 15 - H ALA 29 lone 2 99 - 2 - HG2 LYS 36 - H ALA 29 lone 2 100 - 2 - HB3 LEU 100 - H ALA 29 lone 1 100 - 1 - HB2 LEU 96 - H ALA 29 lone 1 100 - 1 - HB2 LEU 42 - H ALA 29 lone 1 99 - 1 - QB ALA 110 - H ALA 29 lone 1 99 - 1 - HG3 LYS 95 - H ALA 29 lone 1 92 - 1 - QB ALA 108 - H ALA 29 lone 1 96 - 1 - HG2 LYS 95 - H ALA 29 lone 1 81 - 1 - QB ALA 109 - H ALA 29 lone 0 73 - 1 - Peak 6312 from nnoeabs.peaks (8.26, 8.25, 122.97 ppm; 2.50 A): 2 out of 3 assignments used, quality = 0.66: * H GLU 30 + H ALA 29 OK 57 100 - 58 - 6314=36, 748/2.9=14...(7) H LEU 123 + H ALA 29 OK 21 98 - 21 - 6314=12, 748/2.9=4, 752/2.9=3 H ASP 131 - H ALA 29 lone 1 73 - 1 - Peak 6313 from nnoeabs.peaks (8.26, 8.26, 119.71 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H GLU 30 + H GLU 30 OK 100 100 - 100 H LEU 123 + H LEU 123 OK 82 82 - 100 Peak 6314 from nnoeabs.peaks (8.25, 8.26, 119.71 ppm; 2.50 A): 2 out of 4 assignments used, quality = 0.66: * H ALA 29 + H GLU 30 OK 57 100 - 58 - 6312=36, 2.9/748=14...(7) H ALA 29 + H LEU 123 OK 19 87 - 22 - 6312=13, 2.9/748=4, 2.9/752=3 H ARG 23 - H GLU 30 lone 1 98 - 1 - H ARG 23 - H LEU 123 lone 1 82 - 1 - Peak 6315 from nnoeabs.peaks (4.23, 8.26, 119.71 ppm; 2.50 A): 5 out of 12 assignments used, quality = 0.95: HA GLU 30 + H GLU 30 OK 75 98 - 76 - 3.0=61, 3.6/6324=10...(9) * HA ALA 29 + H GLU 30 OK 60 100 - 60 - 3.6=34, 2.9/6314=14...(9) HA GLU 30 + H LEU 123 OK 25 82 - 30 - 753=7, 3.6/6324=4...(10) HA ALA 29 + H LEU 123 OK 21 87 - 24 - 748=11, 2.9/6312=5...(4) HA ALA 28 + H GLU 30 OK 11 65 - 18 - 3.6/6314=10, 2.1/752=5 HA ALA 34 - H GLU 30 lone 7 96 - 7 - 10868/4.6=2, 10876/4.0=1 HA ALA 28 - H LEU 123 lone 3 50 - 6 - 3.6/6312=4, 2.1/752=2 HA ALA 34 - H LEU 123 lone 3 79 - 4 - HA SER 94 - H LEU 123 lone 3 79 - 4 - 11335/4.8=2 HA SER 94 - H GLU 30 lone 2 96 - 2 - HB3 SER 38 - H GLU 30 lone 1 87 - 1 - HB3 SER 38 - H LEU 123 lone 1 70 - 1 - Peak 6316 from nnoeabs.peaks (1.38, 8.26, 119.71 ppm; 2.85 A): 5 out of 28 assignments used, quality = 0.90: * QB ALA 29 + H GLU 30 OK 74 100 - 74 - 3.7=46, 2.1/748=25...(9) QB ALA 28 + H GLU 30 OK 35 98 - 36 - 3.7/6314=13, 752=9...(8) QB ALA 29 + H LEU 123 OK 25 87 - 29 - 752=9, 2.1/748=8...(6) HG2 LYS 36 + H LEU 123 OK 12 87 - 13 - 10900/4.8=7, 1009/3.9=4 QB ALA 28 + H LEU 123 OK 11 82 - 13 - 3.7/6312=5, 752=3, 4.7/752=2 HG3 LYS 95 - H GLU 30 lone 4 92 - 4 - HG3 LYS 26 - H LEU 123 lone 4 86 - 4 - 10703/4.8=2 HG2 LYS 36 - H GLU 30 lone 4 100 - 4 - 10900/3944=2 HG2 LYS 95 - H GLU 30 lone 3 81 - 4 - HG3 LYS 26 - H GLU 30 lone 3 100 - 3 - QB ALA 15 - H GLU 30 lone 3 99 - 3 - HB3 LEU 100 - H LEU 123 lone 2 86 - 3 - 11421/4.8=1, 3243/3.9=1 HB2 LEU 96 - H GLU 30 lone 2 100 - 2 - QB ALA 108 - H GLU 30 lone 2 96 - 2 - HB2 LEU 96 - H LEU 123 lone 2 87 - 2 - QB ALA 110 - H GLU 30 lone 2 99 - 1 - QB ALA 108 - H LEU 123 lone 1 79 - 2 - HB3 LEU 100 - H GLU 30 lone 1 100 - 1 - QB ALA 109 - H GLU 30 lone 1 73 - 2 - HG3 LYS 95 - H LEU 123 lone 1 75 - 2 - HG2 LYS 24 - H LEU 123 lone 1 86 - 1 - HG2 LYS 24 - H GLU 30 lone 1 100 - 1 - HG2 LYS 95 - H LEU 123 lone 1 64 - 2 - QB ALA 15 - H LEU 123 lone 1 85 - 1 - QB ALA 110 - H LEU 123 lone 1 85 - 1 - HB2 LEU 42 - H GLU 30 lone 1 99 - 1 - QB ALA 109 - H LEU 123 lone 1 57 - 1 - HB2 LEU 42 - H LEU 123 lone 0 85 - 0 - Peak 6317 from nnoeabs.peaks (4.22, 8.26, 119.71 ppm; 2.50 A): 4 out of 16 assignments used, quality = 0.94: * HA GLU 30 + H GLU 30 OK 76 100 - 76 - 3.0=61, 3.6/6324=10...(9) HA ALA 29 + H GLU 30 OK 59 98 - 60 - 3.6=34, 2.9/6314=14...(9) HA GLU 30 + H LEU 123 OK 26 87 - 30 - 753=7, 3.6/6324=4...(10) HA ALA 29 + H LEU 123 OK 20 82 - 24 - 748=10, 2.9/6312=5...(4) HA ALA 34 - H GLU 30 lone 7 100 - 7 - 10868/4.6=2, 10876/4.0=1 HA ALA 34 - H LEU 123 lone 4 86 - 4 - HA SER 94 - H LEU 123 lone 2 64 - 3 - 11335/4.8=2 HA SER 94 - H GLU 30 lone 1 81 - 2 - HA SER 99 - H LEU 123 lone 1 57 - 2 - HB3 SER 38 - H GLU 30 lone 1 98 - 1 - HB3 SER 38 - H LEU 123 lone 1 82 - 1 - HA SER 99 - H GLU 30 lone 1 73 - 1 - HA HIS 67 - H GLU 30 lone 0 73 - 1 - HA SER 51 - H GLU 30 lone 0 65 - 0 - HA HIS 67 - H LEU 123 lone 0 57 - 0 - HA SER 51 - H LEU 123 lone 0 50 - 0 - Peak 6318 from nnoeabs.peaks (1.96, 8.26, 119.71 ppm; 2.75 A): 4 out of 10 assignments used, quality = 0.83: * HB2 GLU 30 + H GLU 30 OK 70 100 - 70 - 4.0=33, 1.8/767=15...(12) HB2 GLU 30 + H LEU 123 OK 27 87 - 31 - 760=8, 1.8/767=7...(6) HB3 ARG 90 + H GLU 30 OK 13 92 - 14 - 755/3.0=3, 769/4.0=3...(6) HB3 LYS 86 + H GLU 30 OK 11 100 - 11 - 755/3.0=2, 10791/3.7=1...(4) HB2 PRO 58 - H GLU 30 poor 8 81 - 10 - 755/3.0=2, 769/4.0=2...(5) HB3 LYS 86 - H LEU 123 lone 7 86 - 8 - 2639/4.3=3, 1.8/7744=1, ~7730=1 HB3 ARG 90 - H LEU 123 lone 3 75 - 4 - HB2 GLN 27 - H GLU 30 lone 3 65 - 4 - 10787/4.6=2 HB2 PRO 58 - H LEU 123 lone 2 64 - 3 - HB2 GLN 27 - H LEU 123 lone 1 50 - 1 - Peak 6319 from nnoeabs.peaks (2.02, 8.26, 119.71 ppm; 2.98 A): 4 out of 14 assignments used, quality = 0.88: * HB3 GLU 30 + H GLU 30 OK 77 100 - 77 - 4.0=41, 1.8/6318=18...(12) HB3 GLU 30 + H LEU 123 OK 31 87 - 36 - 767=10, 1.8/760=8...(6) HB2 GLN 134 + H GLU 30 OK 16 100 - 16 - 1.8/6321=4, 756/3.0=3...(7) HG2 ARG 90 + H GLU 30 OK 13 98 - 13 - 756/3.0=3, 2817/4.0=3...(7) HB2 GLU 44 - H GLU 30 lone 8 96 - 8 - 756/3.0=2, 3.0/6321=1...(4) HG2 PRO 58 - H GLU 30 lone 8 81 - 9 - 756/3.0=2, 2.3/6318=2...(4) HG2 ARG 90 - H LEU 123 lone 4 82 - 4 - 10316/7704=1 HB2 GLU 44 - H LEU 123 lone 3 79 - 4 - 1403/3.6=1 HB2 GLN 134 - H LEU 123 lone 3 86 - 4 - HB VAL 63 - H GLU 30 lone 2 99 - 2 - HG2 PRO 58 - H LEU 123 lone 2 64 - 4 - ~7718=1 HB VAL 63 - H LEU 123 lone 2 85 - 3 - HB3 MET 11 - H GLU 30 lone 2 98 - 2 - HB3 MET 11 - H LEU 123 lone 2 82 - 2 - Peak 6320 from nnoeabs.peaks (2.29, 8.26, 119.71 ppm; 3.38 A): 2 out of 6 assignments used, quality = 0.85: * HG2 GLU 30 + H GLU 30 OK 77 100 - 77 - 5.1=30, 757/3.0=20...(9) HG2 GLU 30 + H LEU 123 OK 36 87 - 42 - 774=14, 1.8/781=11...(7) HB VAL 132 - H GLU 30 poor 9 81 - 10 - 757/3.0=2, 764/4.0=2...(5) HG2 GLN 61 - H GLU 30 lone 6 87 - 6 - 757/3.0=2, 764/4.0=1...(4) HG2 GLN 61 - H LEU 123 lone 2 70 - 2 - HB VAL 132 - H LEU 123 lone 2 64 - 2 - Peak 6321 from nnoeabs.peaks (2.33, 8.26, 119.71 ppm; 3.25 A): 5 out of 10 assignments used, quality = 0.92: * HG3 GLU 30 + H GLU 30 OK 78 100 - 78 - 5.1=27, 1.8/6320=20...(12) HG3 GLU 30 + H LEU 123 OK 39 87 - 45 - 781=12, 1.8/774=10...(9) HB3 GLN 134 + H GLU 30 OK 23 99 - 23 - 772/4.0=5, 758/3.0=4...(9) HB VAL 77 + H GLU 30 OK 13 98 - 13 - 758/3.0=3, 765/4.0=2...(6) HG2 GLU 44 + H GLU 30 OK 11 87 - 13 - 758/3.0=2, 772/4.0=2...(6) HB3 GLN 134 - H LEU 123 lone 4 85 - 5 - HG2 GLU 44 - H LEU 123 lone 4 70 - 5 - 11582/4.8=1 HB VAL 77 - H LEU 123 lone 3 82 - 4 - HG3 GLN 68 - H GLU 30 lone 1 73 - 2 - HG3 GLN 68 - H LEU 123 lone 0 57 - 1 - Peak 6322 from nnoeabs.peaks (8.23, 8.26, 119.71 ppm; 2.50 A): 3 out of 6 assignments used, quality = 0.68: * H LYS 31 + H GLU 30 OK 55 100 - 55 - 6324=33, 759/3.0=12...(7) H LYS 31 + H LEU 123 OK 22 87 - 26 - 6324=15, 3.6/753=3...(6) H SER 33 + H GLU 30 OK 10 100 - 10 - 759/3.0=4, 773/4.0=2...(5) H SER 107 - H GLU 30 lone 7 100 - 7 - 759/3.0=2, 766/4.0=1, 773/4.0=1 H SER 33 - H LEU 123 lone 4 86 - 5 - 6368/2.9=2 H SER 107 - H LEU 123 lone 2 86 - 2 - Peak 6323 from nnoeabs.peaks (8.23, 8.23, 122.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 31 + H LYS 31 OK 100 100 - 100 Peak 6324 from nnoeabs.peaks (8.26, 8.23, 122.66 ppm; 2.50 A): 2 out of 3 assignments used, quality = 0.62: * H GLU 30 + H LYS 31 OK 51 100 - 51 - 6322=27, 3.0/759=12...(7) H LEU 123 + H LYS 31 OK 22 98 - 23 - 6322=11, 753/3.6=3...(6) H ASP 131 - H LYS 31 lone 3 73 - 4 - Peak 6325 from nnoeabs.peaks (4.22, 8.23, 122.66 ppm; 2.50 A): 2 out of 8 assignments used, quality = 0.70: * HA GLU 30 + H LYS 31 OK 61 100 - 61 - 3.6=34, 3.0/6324=13...(7) HA ALA 29 + H LYS 31 OK 24 98 - 25 - 3.6/6324=10, 10784/4.6=3...(7) HA ALA 34 - H LYS 31 lone 7 100 - 7 - 3.0/6371=2, 10876/4.6=1 HA SER 94 - H LYS 31 lone 2 81 - 2 - HB3 SER 38 - H LYS 31 lone 2 98 - 2 - HA SER 51 - H LYS 31 lone 0 65 - 1 - HA SER 99 - H LYS 31 lone 0 73 - 0 - HA HIS 67 - H LYS 31 lone 0 73 - 0 - Peak 6326 from nnoeabs.peaks (1.96, 8.23, 122.66 ppm; 3.37 A): 3 out of 5 assignments used, quality = 0.84: * HB2 GLU 30 + H LYS 31 OK 79 100 - 79 - 4.6=38, 1.8/773=23...(9) HB3 ARG 90 + H LYS 31 OK 16 92 - 17 - 755/3.6=4, 2.9/6327=3...(6) HB3 LYS 86 + H LYS 31 OK 11 100 - 11 - 755/3.6=2, 783/4.9=1...(5) HB2 PRO 58 - H LYS 31 poor 10 81 - 12 - 755/3.6=3, 2.3/6327=2...(5) HB2 GLN 27 - H LYS 31 lone 1 65 - 2 - Peak 6327 from nnoeabs.peaks (2.02, 8.23, 122.66 ppm; 3.30 A): 3 out of 7 assignments used, quality = 0.85: * HB3 GLU 30 + H LYS 31 OK 78 100 - 78 - 4.6=36, 1.8/6326=23...(10) HB2 GLN 134 + H LYS 31 OK 17 100 - 17 - 1.8/6329=4, 756/3.6=3...(7) HG2 ARG 90 + H LYS 31 OK 16 98 - 17 - 2.9/6326=3, 756/3.6=3...(7) HB2 GLU 44 - H LYS 31 lone 8 96 - 9 - 756/3.6=2, 3.0/6329=2...(5) HG2 PRO 58 - H LYS 31 poor 8 81 - 10 - 2.3/6326=2, 756/3.6=2...(5) HB VAL 63 - H LYS 31 lone 4 99 - 4 - 10830/4.7=1 HB3 MET 11 - H LYS 31 lone 2 98 - 2 - Peak 6328 from nnoeabs.peaks (2.29, 8.23, 122.66 ppm; 4.19 A): 2 out of 3 assignments used, quality = 0.93: * HG2 GLU 30 + H LYS 31 OK 92 100 - 92 - 4.9=62, 1.8/787=28...(9) HB VAL 132 + H LYS 31 OK 12 81 - 14 - 757/3.6=3, 764/4.6=2...(7) HG2 GLN 61 - H LYS 31 poor 10 87 - 11 - 757/3.6=2, 764/4.6=2...(5) Peak 6329 from nnoeabs.peaks (2.33, 8.23, 122.66 ppm; 4.20 A): 2 out of 5 assignments used, quality = 0.94: * HG3 GLU 30 + H LYS 31 OK 92 100 - 92 - 4.9=63, 1.8/6328=31...(9) HB3 GLN 134 + H LYS 31 OK 29 99 - 29 - 772/4.6=6, 758/3.6=6...(6) HB VAL 77 - H LYS 31 OK 15 98 - 15 - 758/3.6=4, 772/4.6=3...(5) HG2 GLU 44 - H LYS 31 OK 13 87 - 14 - 758/3.6=3, 772/4.6=3...(6) HG3 GLN 68 - H LYS 31 lone 2 73 - 3 - Peak 6330 from nnoeabs.peaks (4.28, 8.23, 122.66 ppm; 2.82 A): 1 out of 14 assignments used, quality = 0.93: * HA LYS 31 + H LYS 31 OK 93 100 - 93 - 3.0=88, 3.0/6331=11...(12) HA LYS 36 - H LYS 31 OK 15 99 - 15 - 3.0/10896=3, 975/4.0=2...(7) HA LYS 26 - H LYS 31 OK 15 73 - 21 - 3.0/6331=3, 3.0/6332=2...(7) HA LYS 19 - H LYS 31 poor 9 57 - 16 - 3.0/6331=3, 3.0/6332=3...(5) HA ALA 15 - H LYS 31 lone 7 73 - 10 - 3.0/6339=3, 2.1/6334=2 HA ALA 108 - H LYS 31 lone 6 100 - 6 - 3.0/7554=2, 2.1/6334=1 HA ALA 109 - H LYS 31 lone 4 100 - 4 - 2.1/6334=1 HA LEU 22 - H LYS 31 lone 4 100 - 3 - HA GLN 61 - H LYS 31 lone 2 96 - 2 - HA ARG 23 - H LYS 31 lone 2 65 - 3 - 10728/4.7=1 HA ALA 16 - H LYS 31 lone 1 100 - 1 - HB THR 115 - H LYS 31 lone 1 98 - 1 - HA ALA 110 - H LYS 31 lone 1 81 - 2 - HA ALA 12 - H LYS 31 lone 0 73 - 0 - Peak 6331 from nnoeabs.peaks (1.74, 8.23, 122.66 ppm; 2.73 A): 4 out of 6 assignments used, quality = 0.84: * HB2 LYS 31 + H LYS 31 OK 67 100 - 67 - 4.0=32, 3.0/6330=12...(15) HB2 LYS 24 + H LYS 31 OK 26 96 - 28 - 799=5, 1.8/6332=4...(11) HB2 LYS 26 + H LYS 31 OK 20 81 - 25 - 1.8/6332=3, 790/3.0=3...(11) HB2 LYS 19 + H LYS 31 OK 16 81 - 20 - 1.8/6332=4, 790/3.0=3...(8) HG13 ILE 129 - H LYS 31 lone 1 100 - 1 - HB ILE 80 - H LYS 31 lone 1 87 - 1 - Peak 6332 from nnoeabs.peaks (1.81, 8.23, 122.66 ppm; 2.80 A): 6 out of 9 assignments used, quality = 0.94: * HB3 LYS 31 + H LYS 31 OK 72 100 - 72 - 4.0=34, 1.8/6331=17...(15) HB ILE 32 + H LYS 31 OK 39 87 - 45 - 4.0/6339=9, 2.1/910=7...(12) HB3 LYS 24 + H LYS 31 OK 30 99 - 30 - 1.8/6331=7, 810=4...(11) HB3 LYS 19 + H LYS 31 OK 26 100 - 26 - 810=5, 1.8/6331=4...(10) HB3 LYS 26 + H LYS 31 OK 23 81 - 28 - 1.8/6331=5, 3.0/6334=3...(11) HB2 LYS 36 + H LYS 31 OK 14 92 - 16 - 3.9/10896=3, 791/3.0=2...(5) HB3 LEU 123 - H LYS 31 lone 3 61 - 6 - 3.9/6324=5 HB3 ARG 135 - H LYS 31 lone 1 87 - 1 - HB2 ARG 84 - H LYS 31 lone 1 98 - 1 - Peak 6333 from nnoeabs.peaks (1.44, 8.23, 122.66 ppm; 3.42 A): 3 out of 5 assignments used, quality = 0.95: * HG2 LYS 31 + H LYS 31 OK 82 100 - 82 - 5.0=33, 1.8/6334=19...(20) HG13 ILE 32 + H LYS 31 OK 54 98 - 55 - 919/4.7=9, 926=9...(13) HG3 LYS 24 + H LYS 31 OK 38 96 - 40 - 2.9/6331=7, 792/3.0=5...(13) HG3 LYS 19 - H LYS 31 OK 33 99 - 33 - 792/3.0=5, 3.0/6331=4...(11) HG2 LYS 26 - H LYS 31 OK 28 65 - 42 - 1.8/6334=6, 3.0/6331=5...(19) Peak 6334 from nnoeabs.peaks (1.39, 8.23, 122.66 ppm; 2.97 A): 3 out of 10 assignments used, quality = 0.78: * HG3 LYS 31 + H LYS 31 OK 68 100 - 68 - 5.0=21, 3.0/6331=13...(20) HG3 LYS 26 + H LYS 31 OK 22 65 - 34 - 793/3.0=4, 3.0/6331=4...(15) HG2 LYS 95 + H LYS 31 OK 12 98 - 12 - 793/3.0=2, 10799/4.9=2...(4) HG3 LYS 95 - H LYS 31 poor 10 92 - 11 - 793/3.0=2, 6346/4.7=1 QB ALA 15 - H LYS 31 poor 9 73 - 12 - 2.9/6339=4, 793/3.0=2...(5) QB ALA 108 - H LYS 31 lone 7 87 - 8 - 2.9/7554=2, 2.1/6330=1 QB ALA 28 - H LYS 31 lone 7 81 - 8 - 10797/4.6=2, 10796/3.6=2 QB ALA 109 - H LYS 31 lone 6 99 - 6 - 793/3.0=1 HG LEU 96 - H LYS 31 lone 4 81 - 5 - 10799/4.9=1 QB ALA 110 - H LYS 31 lone 2 73 - 2 - Peak 6335 from nnoeabs.peaks (1.66, 8.23, 122.66 ppm; 4.04 A): 6 out of 15 assignments used, quality = 1.00: * HD2 LYS 31 + H LYS 31 OK 86 100 - 86 - 6.2=28, 3.5/6331=19...(28) HD3 LYS 31 + H LYS 31 OK 86 100 - 86 - 6.2=28, 3.5/6331=19...(28) HD2 LYS 26 + H LYS 31 OK 53 100 - 53 - 2.9/6334=6, 3.5/6331=6...(24) HD3 LYS 26 + H LYS 31 OK 52 98 - 53 - 2.9/6334=6, 3.5/6331=6...(24) HD2 LYS 24 + H LYS 31 OK 47 100 - 48 - 3.5/6331=7, 3.0/6333=6...(18) HD3 LYS 24 + H LYS 31 OK 47 100 - 47 - 3.5/6331=7, 3.0/6333=6...(18) HD3 LYS 36 - H LYS 31 OK 16 65 - 25 - 6.1/10896=4, 3.5/6332=2...(10) HD2 LYS 36 - H LYS 31 OK 16 65 - 25 - 6.1/10896=4, 3.5/6332=2...(10) HD3 LYS 95 - H LYS 31 OK 13 99 - 13 - 2.9/6334=3, 2.9/6334=3...(5) HD2 LYS 95 - H LYS 31 OK 10 81 - 12 - 2.9/6334=3, 2.9/6334=3...(4) HD3 LYS 86 - H LYS 31 lone 9 99 - 9 - 3.5/6326=3, 2673/4.6=1 HD2 LYS 86 - H LYS 31 lone 9 99 - 9 - 3.5/6326=3, 2673/4.6=1 QB ALA 88 - H LYS 31 lone 2 100 - 2 - HB2 LEU 69 - H LYS 31 lone 2 73 - 2 - HB2 LEU 98 - H LYS 31 lone 2 65 - 2 - Peak 6336 from nnoeabs.peaks (1.66, 8.23, 122.66 ppm; 4.04 A): 6 out of 13 assignments used, quality = 1.00: * HD3 LYS 31 + H LYS 31 OK 86 100 - 86 - 6.2=28, 3.5/6331=19...(28) HD2 LYS 31 + H LYS 31 OK 86 100 - 86 - 6.2=28, 3.5/6331=19...(28) HD2 LYS 26 + H LYS 31 OK 53 100 - 53 - 2.9/6334=6, 3.5/6331=6...(24) HD3 LYS 26 + H LYS 31 OK 53 99 - 53 - 2.9/6334=6, 3.5/6331=6...(24) HD2 LYS 24 + H LYS 31 OK 47 100 - 47 - 3.5/6331=7, 3.0/6333=6...(18) HD3 LYS 24 + H LYS 31 OK 47 100 - 47 - 3.5/6331=7, 3.0/6333=6...(18) HD3 LYS 95 - H LYS 31 OK 13 100 - 13 - 2.9/6334=3, 2.9/6334=3...(5) HD2 LYS 95 - H LYS 31 OK 11 87 - 13 - 2.9/6334=3, 2.9/6334=3...(4) HD3 LYS 86 - H LYS 31 lone 9 100 - 9 - 3.5/6326=3, 2673/4.6=1 HD2 LYS 86 - H LYS 31 lone 9 100 - 9 - 3.5/6326=3, 2673/4.6=1 QB ALA 88 - H LYS 31 lone 2 100 - 2 - HB2 LEU 98 - H LYS 31 lone 2 73 - 2 - HB2 LEU 69 - H LYS 31 lone 1 65 - 2 - Peak 6337 from nnoeabs.peaks (2.96, 8.23, 122.66 ppm; 5.50 A): 5 out of 11 assignments used, quality = 1.00: * HE2 LYS 31 + H LYS 31 OK 90 100 - 90 - 7.1=47, 3.7/6334=22...(22) HE3 LYS 31 + H LYS 31 OK 88 98 - 90 - 7.1=47, 3.7/6334=22...(23) HE2 LYS 26 + H LYS 31 OK 60 98 - 62 - 3.6/6334=7, 4.8/6331=6...(25) HE3 LYS 26 + H LYS 31 OK 60 98 - 62 - 3.6/6334=7, 4.8/6331=6...(25) HE3 LYS 24 + H LYS 31 OK 49 98 - 50 - 5.1/6331=8, 4.0/6333=7...(17) HE3 LYS 19 - H LYS 31 OK 38 100 - 38 - 3.8/6333=6, 5.1/6332=5...(15) HE2 LYS 19 - H LYS 31 OK 33 87 - 38 - 3.8/6333=6, 5.1/6332=5...(15) HE2 LYS 24 - H LYS 31 OK 32 65 - 50 - 5.1/6331=8, 4.0/6333=7...(19) HE3 LYS 36 - H LYS 31 OK 31 98 - 32 - 7.3/10896=6, 6.0/6330=3...(14) HE2 LYS 36 - H LYS 31 OK 25 81 - 31 - 7.3/10896=6, 6.0/6330=3...(14) HE3 LYS 86 - H LYS 31 OK 11 92 - 12 - 4.9/6326=4, 2706/4.6=2...(4) Peak 6338 from nnoeabs.peaks (2.97, 8.23, 122.66 ppm; 5.50 A): 4 out of 11 assignments used, quality = 1.00: * HE3 LYS 31 + H LYS 31 OK 90 100 - 90 - 7.1=47, 3.7/6334=22...(23) HE2 LYS 31 + H LYS 31 OK 88 98 - 90 - 7.1=47, 3.7/6334=22...(22) HE3 LYS 26 + H LYS 31 OK 62 100 - 62 - 3.6/6334=7, 4.8/6331=6...(25) HE2 LYS 26 + H LYS 31 OK 62 100 - 62 - 3.6/6334=7, 4.8/6331=6...(25) HE3 LYS 24 - H LYS 31 OK 43 87 - 49 - 5.1/6331=8, 4.0/6333=7...(17) HE3 LYS 19 - H LYS 31 OK 37 98 - 38 - 3.8/6333=6, 5.1/6332=5...(15) HE3 LYS 36 - H LYS 31 OK 27 87 - 31 - 7.3/10896=6, 6.0/6330=3...(14) HE2 LYS 19 - H LYS 31 OK 24 65 - 37 - 3.8/6333=6, 5.1/6332=5...(15) HE2 LYS 36 - H LYS 31 OK 17 57 - 30 - 7.3/10896=6, 6.0/6330=3...(13) HE3 LYS 86 - H LYS 31 poor 9 73 - 11 - 4.9/6326=4, 2706/4.6=1...(4) HB3 ASN 121 - H LYS 31 lone 2 81 - 2 - Peak 6339 from nnoeabs.peaks (8.14, 8.23, 122.66 ppm; 2.98 A): 2 out of 5 assignments used, quality = 0.72: * H ILE 32 + H LYS 31 OK 66 100 - 66 - 4.7=26, 798/3.0=17...(15) H ALA 15 + H LYS 31 OK 16 99 - 16 - 798/3.0=4, 809/4.0=3...(7) H ASP 71 - H LYS 31 lone 7 98 - 8 - 798/3.0=1 H VAL 133 - H LYS 31 lone 7 92 - 8 - 798/3.0=1 H LEU 22 - H LYS 31 lone 3 73 - 4 - Peak 6340 from nnoeabs.peaks (8.14, 8.14, 122.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ILE 32 + H ILE 32 OK 100 100 - 100 Peak 6341 from nnoeabs.peaks (8.23, 8.14, 122.30 ppm; 2.71 A): 3 out of 3 assignments used, quality = 0.86: * H LYS 31 + H ILE 32 OK 60 100 - 60 - 6339=25, 3.0/798=14...(14) H SER 33 + H ILE 32 OK 59 100 - 60 - 6359=23, 6360/3.0=17...(12) H SER 107 + H ILE 32 OK 17 100 - 17 - 894/3.0=3, 910/4.0=2...(8) Peak 6342 from nnoeabs.peaks (4.28, 8.14, 122.30 ppm; 2.50 A): 2 out of 14 assignments used, quality = 0.62: * HA LYS 31 + H ILE 32 OK 57 100 - 57 - 3.6=35, 3.0/6339=11...(10) HA LYS 19 + H ILE 32 OK 12 57 - 21 - 3.0/10806=11, 3.0/6344=3...(4) HA LYS 36 - H ILE 32 lone 10 99 - 10 - 3.0/11920=3, 3.0/6352=1 HA LYS 26 - H ILE 32 poor 9 73 - 12 - 3.0/6343=2, 3.0/6352=2...(4) HA ARG 23 - H ILE 32 lone 3 65 - 5 - 10728=3 HA LEU 22 - H ILE 32 lone 3 100 - 3 - HA ALA 15 - H ILE 32 lone 3 73 - 4 - HA ALA 109 - H ILE 32 lone 1 100 - 1 - HA ALA 108 - H ILE 32 lone 1 100 - 1 - HA ALA 16 - H ILE 32 lone 1 100 - 1 - HB THR 115 - H ILE 32 lone 1 98 - 1 - HA ALA 110 - H ILE 32 lone 1 81 - 1 - HA GLN 61 - H ILE 32 lone 1 96 - 1 - HA ALA 12 - H ILE 32 lone 0 73 - 0 - Peak 6343 from nnoeabs.peaks (1.74, 8.14, 122.30 ppm; 3.50 A): 4 out of 6 assignments used, quality = 0.93: * HB2 LYS 31 + H ILE 32 OK 80 100 - 80 - 4.6=44, 3.0/798=22...(16) HB2 LYS 19 + H ILE 32 OK 38 81 - 47 - 3.9/10806=19, 1.8/820=8...(11) HB2 LYS 24 + H ILE 32 OK 31 96 - 33 - 809=6, 790/3.6=6...(12) HB2 LYS 26 + H ILE 32 OK 25 81 - 31 - 1.8/6352=4, 790/3.6=4...(13) HB ILE 80 - H ILE 32 lone 5 87 - 5 - 11933/5.2=2 HG13 ILE 129 - H ILE 32 lone 4 100 - 4 - 3.2/11632=2 Peak 6344 from nnoeabs.peaks (1.81, 8.14, 122.30 ppm; 2.51 A): 6 out of 9 assignments used, quality = 0.91: HB ILE 32 + H ILE 32 OK 60 87 - 70 - 4.0=25, 3.0/6351=12...(17) * HB3 LYS 31 + H ILE 32 OK 50 100 - 50 - 4.6=16, 3.0/798=11...(12) HB3 LYS 19 + H ILE 32 OK 30 100 - 30 - 3.9/10806=9, 820=4...(8) HB3 LYS 24 + H ILE 32 OK 17 99 - 17 - 1.8/6343=3, 791/3.6=2...(6) HB3 LYS 26 + H ILE 32 OK 14 81 - 18 - 1.8/6343=2, 3.0/6355=2...(7) HB2 LYS 36 + H ILE 32 OK 10 92 - 11 - 3.9/11920=3, 3.0/6342=2 HB3 ARG 135 - H ILE 32 lone 2 87 - 2 - HB3 LEU 123 - H ILE 32 lone 1 61 - 1 - HB2 ARG 84 - H ILE 32 lone 0 98 - 0 - Peak 6345 from nnoeabs.peaks (1.44, 8.14, 122.30 ppm; 2.87 A): 5 out of 5 assignments used, quality = 0.95: HG13 ILE 32 + H ILE 32 OK 75 98 - 77 - 1.8/6354=21, 919=19...(16) * HG2 LYS 31 + H ILE 32 OK 51 100 - 51 - 3.8/798=11, 3.0/809=9...(17) HG3 LYS 19 + H ILE 32 OK 35 99 - 35 - 4.9/10806=9, ~10831=6...(12) HG3 LYS 24 + H ILE 32 OK 22 96 - 22 - 2.9/6343=3, 792/3.6=3...(10) HG2 LYS 26 + H ILE 32 OK 16 65 - 24 - 1.8/6346=3, 3.0/6343=2...(10) Peak 6346 from nnoeabs.peaks (1.39, 8.14, 122.30 ppm; 3.67 A): 5 out of 10 assignments used, quality = 0.87: * HG3 LYS 31 + H ILE 32 OK 67 100 - 67 - 3.8/798=19, 3.0/809=14...(14) HG2 LYS 95 + H ILE 32 OK 25 98 - 25 - 3.0/10829=9, 3.0/10829=8...(7) HG3 LYS 95 + H ILE 32 OK 22 92 - 24 - 3.0/10829=9, 3.0/10829=8...(7) HG3 LYS 26 + H ILE 32 OK 22 65 - 33 - 1.8/6355=5, 793/3.6=5...(12) HG LEU 96 + H ILE 32 OK 13 81 - 16 - 2.1/6356=4, 3089/4.8=3...(5) QB ALA 15 - H ILE 32 poor 9 73 - 12 - 10790/4.6=2, 793/3.6=2...(7) QB ALA 28 - H ILE 32 lone 6 81 - 8 - 4.7/202=2, 2.1/10819=1 QB ALA 109 - H ILE 32 lone 6 99 - 6 - 793/3.6=1 QB ALA 108 - H ILE 32 lone 5 87 - 5 - 793/3.6=1 QB ALA 110 - H ILE 32 lone 2 73 - 2 - Peak 6347 from nnoeabs.peaks (1.66, 8.14, 122.30 ppm; 4.94 A): 3 out of 15 assignments used, quality = 0.97: * HD2 LYS 31 + H ILE 32 OK 77 100 - 77 - 5.2/798=21, 3.5/809=20...(12) HD3 LYS 31 + H ILE 32 OK 77 100 - 77 - 5.2/798=21, 3.5/809=20...(12) HD2 LYS 26 + H ILE 32 OK 42 100 - 42 - 3.5/6343=6, 795/3.6=6...(13) HD3 LYS 26 - H ILE 32 OK 41 98 - 42 - 3.5/6343=6, 795/3.6=5...(13) HD3 LYS 95 - H ILE 32 OK 38 99 - 38 - 3.7/10829=14...(5) HD2 LYS 24 - H ILE 32 OK 37 100 - 37 - 3.5/6343=7, 795/3.6=5...(11) HD3 LYS 24 - H ILE 32 OK 37 100 - 37 - 3.5/6343=7, 795/3.6=5...(11) HD2 LYS 95 - H ILE 32 OK 30 81 - 37 - 3.7/10829=14...(4) HD2 LYS 36 - H ILE 32 OK 18 65 - 28 - 6.1/11920=7, 10832/3.0=4...(9) HD3 LYS 36 - H ILE 32 OK 18 65 - 28 - 6.1/11920=7, 10832/3.0=4...(9) HB2 LEU 98 - H ILE 32 OK 14 65 - 21 - 3.0/6351=4, 3.1/6353=3...(8) HB2 LEU 69 - H ILE 32 OK 12 73 - 16 - 4.4/6952=7, 3.7/6932=5 QB ALA 88 - H ILE 32 lone 6 100 - 6 - 11293/3.0=2 HD2 LYS 86 - H ILE 32 lone 5 99 - 5 - HD3 LYS 86 - H ILE 32 lone 5 99 - 5 - Peak 6348 from nnoeabs.peaks (1.66, 8.14, 122.30 ppm; 4.94 A): 3 out of 13 assignments used, quality = 0.97: * HD3 LYS 31 + H ILE 32 OK 77 100 - 77 - 5.2/798=21, 3.5/809=20...(12) HD2 LYS 31 + H ILE 32 OK 76 100 - 77 - 5.2/798=21, 3.5/809=20...(12) HD3 LYS 26 + H ILE 32 OK 42 99 - 42 - 3.5/6343=6, 795/3.6=5...(13) HD2 LYS 26 - H ILE 32 OK 42 100 - 42 - 3.5/6343=6, 795/3.6=6...(13) HD3 LYS 95 - H ILE 32 OK 38 100 - 38 - 3.7/10829=14...(5) HD3 LYS 24 - H ILE 32 OK 37 100 - 37 - 3.5/6343=7, 795/3.6=5...(11) HD2 LYS 24 - H ILE 32 OK 37 100 - 37 - 3.5/6343=7, 795/3.6=5...(11) HD2 LYS 95 - H ILE 32 OK 33 87 - 37 - 3.7/10829=14...(4) HB2 LEU 98 - H ILE 32 OK 16 73 - 22 - 3.0/6351=4, 3.1/6353=3...(8) HB2 LEU 69 - H ILE 32 OK 10 65 - 16 - 4.4/6952=7, 3.7/6932=5 QB ALA 88 - H ILE 32 lone 6 100 - 6 - 11293/3.0=2 HD2 LYS 86 - H ILE 32 lone 5 100 - 5 - HD3 LYS 86 - H ILE 32 lone 5 100 - 5 - Peak 6351 from nnoeabs.peaks (4.11, 8.14, 122.30 ppm; 2.95 A): 1 out of 6 assignments used, quality = 1.00: * HA ILE 32 + H ILE 32 OK 100 100 - 100 - 3.0=100 HA LEU 98 - H ILE 32 OK 12 98 - 12 - 904/4.0=2, 896/4.0=2...(7) HA GLN 101 - H ILE 32 lone 7 87 - 8 - 896/4.0=1, 904/4.0=1 HA LEU 48 - H ILE 32 lone 6 100 - 6 - 904/4.0=1 HA LEU 49 - H ILE 32 lone 5 99 - 5 - HA CYS 79 - H ILE 32 lone 4 98 - 4 - Peak 6352 from nnoeabs.peaks (1.82, 8.14, 122.30 ppm; 2.51 A): 6 out of 11 assignments used, quality = 0.92: * HB ILE 32 + H ILE 32 OK 70 100 - 70 - 4.0=25, 3.0/6351=12...(17) HB3 LYS 31 + H ILE 32 OK 43 87 - 50 - 4.6=16, 3.0/798=11...(12) HB3 LYS 19 + H ILE 32 OK 25 87 - 29 - 3.9/10806=9, 1.8/6343=4...(9) HB3 LYS 26 + H ILE 32 OK 18 100 - 18 - 1.8/6343=2, 3.0/6355=2...(7) HB3 LYS 24 + H ILE 32 OK 16 96 - 17 - 1.8/6343=3, 2.9/6345=2...(5) HB2 LYS 36 + H ILE 32 OK 12 100 - 12 - 3.9/11920=3, 3.0/6342=2 HB3 ARG 23 - H ILE 32 lone 5 92 - 6 - 3.0/10728=4 HB2 LEU 100 - H ILE 32 lone 3 96 - 3 - HB3 ARG 135 - H ILE 32 lone 2 100 - 2 - HB3 LEU 123 - H ILE 32 lone 1 71 - 1 - HB2 ARG 84 - H ILE 32 lone 0 65 - 0 - Peak 6353 from nnoeabs.peaks (0.85, 8.14, 122.30 ppm; 3.26 A): 3 out of 4 assignments used, quality = 0.94: * QG2 ILE 32 + H ILE 32 OK 90 100 - 90 - 4.0=55, 2.1/895=21...(17) QD2 LEU 70 + H ILE 32 OK 38 99 - 38 - 890/3.0=7, 2.1/2259=6...(13) QD1 LEU 98 + H ILE 32 OK 10 73 - 14 - 890/3.0=2, 4.0/6351=2, 898/4.0=2 QG2 VAL 57 - H ILE 32 lone 2 73 - 3 - Peak 6354 from nnoeabs.peaks (1.16, 8.14, 122.30 ppm; 3.07 A): 2 out of 4 assignments used, quality = 0.85: * HG12 ILE 32 + H ILE 32 OK 81 100 - 81 - 911=21, 1.8/919=19...(17) HG3 LYS 39 + H ILE 32 OK 19 87 - 22 - 891/3.0=5, 907/4.0=5...(6) QG2 THR 18 - H ILE 32 poor 10 65 - 15 - 4.3/10806=12 QB ALA 41 - H ILE 32 lone 5 73 - 6 - Peak 6355 from nnoeabs.peaks (1.44, 8.14, 122.30 ppm; 2.87 A): 5 out of 6 assignments used, quality = 0.95: * HG13 ILE 32 + H ILE 32 OK 77 100 - 77 - 1.8/6354=21, 919=20...(16) HG2 LYS 31 + H ILE 32 OK 50 98 - 51 - 3.8/798=11, 3.0/809=9...(17) HG3 LYS 19 + H ILE 32 OK 32 92 - 35 - 4.9/10806=9, ~10831=6...(12) HG2 LYS 26 + H ILE 32 OK 21 87 - 25 - 1.8/6346=3, 3.0/6343=2...(12) HG3 LYS 24 + H ILE 32 OK 18 81 - 22 - 2.9/6343=3, 792/3.6=3...(9) QB ALA 92 - H ILE 32 lone 1 65 - 2 - Peak 6356 from nnoeabs.peaks (0.78, 8.14, 122.30 ppm; 3.58 A): 1 out of 5 assignments used, quality = 0.92: * QD1 ILE 32 + H ILE 32 OK 92 100 - 92 - 4.8=41, 2.1/6354=28...(16) QD1 ILE 37 - H ILE 32 OK 21 99 - 22 - 901/4.0=4, 893/3.0=4...(6) QD1 LEU 96 - H ILE 32 OK 19 92 - 21 - 893/3.0=4, 909/4.0=4...(7) QG1 VAL 63 - H ILE 32 OK 12 87 - 14 - 893/3.0=2, 2.1/10830=2...(7) QD1 LEU 103 - H ILE 32 lone 6 92 - 6 - 893/3.0=1 Peak 6357 from nnoeabs.peaks (8.23, 8.14, 122.30 ppm; 2.71 A): 3 out of 3 assignments used, quality = 0.86: H LYS 31 + H ILE 32 OK 60 100 - 60 - 6339=25, 3.0/798=14...(14) * H SER 33 + H ILE 32 OK 60 100 - 60 - 6359=23, 6360/3.0=17...(12) H SER 107 + H ILE 32 OK 17 99 - 17 - 894/3.0=3, 910/4.0=2...(8) Peak 6358 from nnoeabs.peaks (8.23, 8.23, 119.56 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H SER 33 + H SER 33 OK 100 100 - 100 Peak 6359 from nnoeabs.peaks (8.14, 8.23, 119.56 ppm; 3.11 A): 2 out of 5 assignments used, quality = 0.75: * H ILE 32 + H SER 33 OK 72 100 - 72 - 4.6=31, 3.0/6360=22...(12) H ASP 71 + H SER 33 OK 13 98 - 13 - 887/3.6=4, 903/4.4=3, 895/4.4=2 H ALA 15 - H SER 33 lone 8 99 - 8 - 887/3.6=2, 895/4.4=1, 903/4.4=1 H VAL 133 - H SER 33 lone 7 92 - 7 - 887/3.6=2, 895/4.4=1, 903/4.4=1 H LEU 22 - H SER 33 lone 2 73 - 2 - Peak 6360 from nnoeabs.peaks (4.11, 8.23, 119.56 ppm; 2.50 A): 1 out of 6 assignments used, quality = 0.66: * HA ILE 32 + H SER 33 OK 66 100 - 66 - 3.6=34, 3.0/6359=11...(12) HA LEU 98 - H SER 33 lone 8 98 - 9 - 10859/4.0=1, 904/4.4=1...(5) HA GLN 101 - H SER 33 lone 4 87 - 4 - HA LEU 49 - H SER 33 lone 4 99 - 4 - HA LEU 48 - H SER 33 lone 3 100 - 3 - HA CYS 79 - H SER 33 lone 2 98 - 2 - Peak 6361 from nnoeabs.peaks (1.82, 8.23, 119.56 ppm; 2.97 A): 6 out of 11 assignments used, quality = 0.93: * HB ILE 32 + H SER 33 OK 80 100 - 80 - 4.4=30, 2.1/6362=22...(14) HB3 LYS 31 + H SER 33 OK 37 87 - 42 - 4.6/6359=8, 1.8/799=7...(12) HB2 LYS 36 + H SER 33 OK 18 100 - 18 - 3.9/10896=5, 3.5/10855=3...(6) HB3 LYS 26 + H SER 33 OK 13 100 - 13 - 3.0/6364=2, 889/3.6=2...(4) HB3 LYS 24 + H SER 33 OK 12 96 - 13 - 810=2, 889/3.6=1...(5) HB3 LYS 19 + H SER 33 OK 11 87 - 13 - 889/3.6=2, 810=2...(5) HB3 LEU 123 - H SER 33 lone 5 71 - 7 - 3.0/6368=2, 10856/4.0=1 HB2 LEU 100 - H SER 33 lone 3 96 - 4 - HB3 ARG 135 - H SER 33 lone 2 100 - 2 - HB3 ARG 23 - H SER 33 lone 2 92 - 2 - HB2 ARG 84 - H SER 33 lone 0 65 - 1 - Peak 6362 from nnoeabs.peaks (0.85, 8.23, 119.56 ppm; 3.11 A): 2 out of 4 assignments used, quality = 0.85: * QG2 ILE 32 + H SER 33 OK 82 100 - 82 - 4.4=36, 3.2/6360=20...(14) QD2 LEU 70 + H SER 33 OK 17 99 - 17 - 890/3.6=5, 6353/4.6=4...(6) QD1 LEU 98 - H SER 33 lone 7 73 - 9 - 4.0/6360=2, 890/3.6=2, 898/4.4=1 QG2 VAL 57 - H SER 33 lone 2 73 - 2 - Peak 6363 from nnoeabs.peaks (1.16, 8.23, 119.56 ppm; 4.06 A): 2 out of 4 assignments used, quality = 0.90: * HG12 ILE 32 + H SER 33 OK 85 100 - 86 - 3.2/6362=28, 4.1/6360=25...(10) HG3 LYS 39 + H SER 33 OK 32 87 - 37 - 3.0/10855=13, 899/4.4=8...(7) QB ALA 41 - H SER 33 lone 7 73 - 9 - 2.1/6367=2, 891/3.6=1...(4) QG2 THR 18 - H SER 33 lone 4 65 - 6 - 6354/4.6=2 Peak 6364 from nnoeabs.peaks (1.44, 8.23, 119.56 ppm; 3.57 A): 5 out of 6 assignments used, quality = 0.93: * HG13 ILE 32 + H SER 33 OK 77 100 - 77 - 3.2/6362=23, 1.8/6363=20...(9) HG2 LYS 31 + H SER 33 OK 47 98 - 48 - 3.0/799=7, 3.0/6361=7...(17) HG3 LYS 19 + H SER 33 OK 17 92 - 18 - 892/3.6=4, 6345/4.6=3...(5) HG2 LYS 26 + H SER 33 OK 16 87 - 18 - 908/4.4=3, 892/3.6=3...(5) HG3 LYS 24 + H SER 33 OK 13 81 - 16 - 2.9/6361=2, 892/3.6=2...(6) QB ALA 92 - H SER 33 lone 4 65 - 5 - 3.7/6369=3 Peak 6365 from nnoeabs.peaks (0.78, 8.23, 119.56 ppm; 3.86 A): 3 out of 5 assignments used, quality = 0.89: * QD1 ILE 32 + H SER 33 OK 82 100 - 82 - 3.0/6362=27, 4.2/6360=22...(9) QD1 LEU 96 + H SER 33 OK 21 92 - 23 - ~10852=7, 893/3.6=4...(6) QD1 ILE 37 + H SER 33 OK 19 99 - 19 - 901/4.4=4, 909/4.4=4...(6) QG1 VAL 63 - H SER 33 lone 9 87 - 10 - 893/3.6=2, 901/4.4=2...(4) QD1 LEU 103 - H SER 33 lone 6 92 - 6 - 893/3.6=1 Peak 6366 from nnoeabs.peaks (4.40, 8.23, 119.56 ppm; 2.97 A): 1 out of 4 assignments used, quality = 1.00: * HA SER 33 + H SER 33 OK 100 100 - 100 - 3.0=100 HA SER 107 - H SER 33 OK 14 65 - 21 - 3.0/3504=4, 3499=3...(6) HA SER 9 - H SER 33 OK 13 98 - 13 - 935=4, 941/4.0=2...(4) HA THR 115 - H SER 33 lone 3 96 - 3 - Peak 6367 from nnoeabs.peaks (3.91, 8.23, 119.56 ppm; 3.06 A): 1 out of 8 assignments used, quality = 0.79: * HB2 SER 33 + H SER 33 OK 79 100 - 79 - 4.0=43, 1.8/6368=29...(7) HA ALA 41 - H SER 33 lone 3 99 - 3 - 2.1/6363=1 HA2 GLY 14 - H SER 33 lone 2 81 - 3 - 3.6/6359=2 HA3 GLY 14 - H SER 33 lone 2 73 - 3 - 3.6/6359=2 HB2 SER 94 - H SER 33 lone 1 65 - 2 - 6373/4.5=1 HA3 GLY 75 - H SER 33 lone 1 73 - 2 - HB2 SER 60 - H SER 33 lone 1 98 - 1 - HB3 SER 60 - H SER 33 lone 1 98 - 1 - Peak 6368 from nnoeabs.peaks (3.85, 8.23, 119.56 ppm; 3.07 A): 2 out of 6 assignments used, quality = 0.82: * HB3 SER 33 + H SER 33 OK 80 100 - 80 - 4.0=44, 1.8/6367=30...(8) HA LEU 123 + H SER 33 OK 10 96 - 11 - ~10853=3, 938/3.0=3...(5) HD2 PRO 81 - H SER 33 lone 1 100 - 1 - HA LEU 62 - H SER 33 lone 1 87 - 1 - HD2 PRO 117 - H SER 33 lone 1 73 - 1 - HA GLU 40 - H SER 33 lone 1 57 - 1 - Peak 6369 from nnoeabs.peaks (8.43, 8.23, 119.56 ppm; 3.09 A): 1 out of 3 assignments used, quality = 0.66: * H ALA 34 + H SER 33 OK 66 100 - 66 - 4.5=32, 6372/3.0=24...(6) H VAL 93 - H SER 33 lone 10 98 - 10 - 939/3.0=2, 949/4.0=2...(5) H ASN 13 - H SER 33 lone 4 92 - 4 - 939/3.0=1 Peak 6370 from nnoeabs.peaks (8.43, 8.43, 125.99 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 34 + H ALA 34 OK 100 100 - 100 Peak 6371 from nnoeabs.peaks (8.23, 8.43, 125.99 ppm; 3.56 A): 3 out of 3 assignments used, quality = 0.85: * H SER 33 + H ALA 34 OK 80 100 - 80 - 4.5=48, 3.0/6372=31...(6) H LYS 31 + H ALA 34 OK 17 100 - 17 - 935/3.6=3, 6325/3.0=3...(8) H SER 107 + H ALA 34 OK 11 99 - 10 - 935/3.6=3, 945/4.6=2...(5) Peak 6372 from nnoeabs.peaks (4.40, 8.43, 125.99 ppm; 2.58 A): 1 out of 4 assignments used, quality = 0.62: * HA SER 33 + H ALA 34 OK 62 100 - 62 - 3.6=38, 3.0/6369=14...(6) HA SER 9 - H ALA 34 lone 7 98 - 7 - 939=4 HA SER 107 - H ALA 34 lone 3 65 - 4 - 3.0/6371=1 HA THR 115 - H ALA 34 lone 1 96 - 1 - Peak 6373 from nnoeabs.peaks (3.91, 8.43, 125.99 ppm; 3.48 A): 1 out of 8 assignments used, quality = 0.77: * HB2 SER 33 + H ALA 34 OK 77 100 - 77 - 4.6=43, 1.8/949=30...(4) HB2 SER 94 - H ALA 34 poor 8 65 - 13 - 3.6/7279=5, 4.4/7292=3 HA ALA 41 - H ALA 34 lone 2 99 - 2 - HB3 SER 60 - H ALA 34 lone 1 98 - 1 - HB2 SER 60 - H ALA 34 lone 1 98 - 1 - HA2 GLY 14 - H ALA 34 lone 1 81 - 1 - HA3 GLY 14 - H ALA 34 lone 1 73 - 1 - HA3 GLY 75 - H ALA 34 lone 1 73 - 1 - Peak 6374 from nnoeabs.peaks (3.85, 8.43, 125.99 ppm; 3.82 A): 2 out of 6 assignments used, quality = 0.88: * HB3 SER 33 + H ALA 34 OK 86 100 - 86 - 4.6=57, 1.8/6373=34...(5) HA LEU 123 + H ALA 34 OK 12 96 - 13 - 938/3.6=3, 6368/4.5=2...(6) HD2 PRO 81 - H ALA 34 lone 2 100 - 2 - HA LEU 62 - H ALA 34 lone 2 87 - 2 - HD2 PRO 117 - H ALA 34 lone 1 73 - 1 - HA GLU 40 - H ALA 34 lone 1 57 - 1 - Peak 6375 from nnoeabs.peaks (4.22, 8.43, 125.99 ppm; 3.11 A): 1 out of 8 assignments used, quality = 1.00: * HA ALA 34 + H ALA 34 OK 100 100 - 100 - 3.0=100 HB3 SER 38 - H ALA 34 OK 13 99 - 13 - 3.9/10867=7, 955/2.9=2...(4) HA SER 94 - H ALA 34 OK 13 73 - 17 - 2.9/7279=5, 3.6/7292=2...(6) HA GLU 30 - H ALA 34 OK 11 100 - 11 - 759/4.5=3, 3.6/6371=3...(4) HA SER 51 - H ALA 34 poor 10 73 - 13 - 3.0/10867=6, ~10869=2...(4) HA ALA 29 - H ALA 34 lone 8 96 - 8 - ~10868=2, 10781/10811=2 HA HIS 67 - H ALA 34 lone 1 81 - 2 - HA SER 99 - H ALA 34 lone 1 81 - 1 - Peak 6376 from nnoeabs.peaks (1.42, 8.43, 125.99 ppm; 2.64 A): 2 out of 2 assignments used, quality = 0.82: * QB ALA 34 + H ALA 34 OK 80 100 - 80 - 2.9=73, 3.6/6379=13...(5) HG2 LYS 86 + H ALA 34 OK 11 99 - 11 - 952/3.0=3, ~10877=2...(4) Peak 6377 from nnoeabs.peaks (8.38, 8.43, 125.99 ppm; 3.00 A): 1 out of 4 assignments used, quality = 0.67: * H ASP 35 + H ALA 34 OK 67 100 - 67 - 6379=42, 6381/2.9=23...(4) H GLN 27 - H ALA 34 lone 5 99 - 5 - 957/2.9=2, 953/3.0=2 H THR 65 - H ALA 34 lone 2 87 - 2 - H HIS 3 - H ALA 34 lone 0 81 - 1 - Peak 6378 from nnoeabs.peaks (8.38, 8.38, 118.19 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASP 35 + H ASP 35 OK 100 100 - 100 Peak 6379 from nnoeabs.peaks (8.43, 8.38, 118.19 ppm; 2.61 A): 1 out of 3 assignments used, quality = 0.53: * H ALA 34 + H ASP 35 OK 53 100 - 53 - 6377=30, 2.9/6381=17...(4) H VAL 93 - H ASP 35 lone 9 98 - 9 - 3.6/6385=3, 954/3.6=2...(4) H ASN 13 - H ASP 35 lone 1 92 - 1 - Peak 6380 from nnoeabs.peaks (4.22, 8.38, 118.19 ppm; 2.96 A): 1 out of 8 assignments used, quality = 0.78: * HA ALA 34 + H ASP 35 OK 78 100 - 78 - 3.6=57, 2.1/6381=29...(4) HA SER 94 - H ASP 35 lone 6 73 - 9 - 2.9/6385=5 HB3 SER 38 - H ASP 35 lone 3 99 - 3 - 955/3.6=1 HA ALA 29 - H ASP 35 lone 2 96 - 3 - HA GLU 30 - H ASP 35 lone 2 100 - 2 - HA SER 51 - H ASP 35 lone 2 73 - 2 - 955/3.6=1 HA HIS 67 - H ASP 35 lone 1 81 - 1 - HA SER 99 - H ASP 35 lone 0 81 - 0 - Peak 6381 from nnoeabs.peaks (1.42, 8.38, 118.19 ppm; 2.84 A): 1 out of 2 assignments used, quality = 0.74: * QB ALA 34 + H ASP 35 OK 74 100 - 74 - 3.6=49, 2.1/6380=23...(6) HG2 LYS 86 - H ASP 35 lone 7 99 - 7 - 952/3.6=2, 6376/6379=1...(4) Peak 6382 from nnoeabs.peaks (4.52, 8.38, 118.19 ppm; 2.97 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 35 + H ASP 35 OK 100 100 - 100 - 3.0=100 Peak 6383 from nnoeabs.peaks (2.67, 8.38, 118.19 ppm; 2.95 A): 1 out of 1 assignment used, quality = 0.62: * HB2 ASP 35 + H ASP 35 OK 62 100 - 62 - 4.0=39, 1.8/6384=26...(4) Peak 6384 from nnoeabs.peaks (2.75, 8.38, 118.19 ppm; 2.97 A): 2 out of 4 assignments used, quality = 0.71: * HB3 ASP 35 + H ASP 35 OK 66 100 - 66 - 4.0=39, 1.8/6383=34...(4) HB2 ASP 64 + H ASP 35 OK 15 100 - 15 - 2052=5, 961/3.0=3...(7) HB2 CYS 73 - H ASP 35 lone 2 99 - 2 - HB2 TYR 76 - H ASP 35 lone 0 65 - 1 - Peak 6385 from nnoeabs.peaks (8.00, 8.38, 118.19 ppm; 2.87 A): 2 out of 3 assignments used, quality = 0.62: * H LYS 36 + H ASP 35 OK 55 100 - 55 - 6387=26, 6388/3.0=21...(5) H SER 94 + H ASP 35 OK 15 96 - 16 - 3.6/6379=3, 962/3.0=2...(8) H ILE 129 - H ASP 35 lone 2 81 - 2 - Peak 6386 from nnoeabs.peaks (8.00, 8.00, 120.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 36 + H LYS 36 OK 100 100 - 100 Peak 6387 from nnoeabs.peaks (8.38, 8.00, 120.91 ppm; 3.18 A): 3 out of 4 assignments used, quality = 0.76: * H ASP 35 + H LYS 36 OK 67 100 - 67 - 6385=38, 3.0/6388=26...(5) H GLN 27 + H LYS 36 OK 17 99 - 17 - 4.0/10894=4, 6261/3.0=2...(10) H THR 65 + H LYS 36 OK 11 87 - 12 - 4.6/6390=2, 968/4.7=2...(7) H HIS 3 - H LYS 36 lone 1 81 - 1 - Peak 6388 from nnoeabs.peaks (4.52, 8.00, 120.91 ppm; 3.10 A): 1 out of 1 assignment used, quality = 0.81: * HA ASP 35 + H LYS 36 OK 81 100 - 81 - 3.6=65, 3.0/6385=20...(5) Peak 6389 from nnoeabs.peaks (2.67, 8.00, 120.91 ppm; 3.71 A): 1 out of 1 assignment used, quality = 0.81: * HB2 ASP 35 + H LYS 36 OK 81 100 - 81 - 4.7=51, 3.0/6388=33...(4) Peak 6390 from nnoeabs.peaks (2.75, 8.00, 120.91 ppm; 3.81 A): 2 out of 4 assignments used, quality = 0.89: * HB3 ASP 35 + H LYS 36 OK 86 100 - 86 - 4.7=55, 1.8/6389=38...(4) HB2 ASP 64 + H LYS 36 OK 21 100 - 21 - 2052/4.6=4, 961/3.6=4...(8) HB2 CYS 73 - H LYS 36 lone 5 99 - 5 - 961/3.6=1 HB2 TYR 76 - H LYS 36 lone 1 65 - 1 - Peak 6391 from nnoeabs.peaks (4.27, 8.00, 120.91 ppm; 3.28 A): 1 out of 14 assignments used, quality = 1.00: * HA LYS 36 + H LYS 36 OK 100 100 - 100 - 3.0=100 HA LYS 31 - H LYS 36 OK 32 99 - 32 - 3.6/11920=10...(8) HA LYS 26 - H LYS 36 OK 17 87 - 19 - 3.6/6387=4, 3.0/6392=3...(8) HB THR 115 - H LYS 36 lone 10 100 - 10 - 10191/5.0=3, 996/3.9=1 HA LYS 19 - H LYS 36 lone 6 73 - 9 - 3.0/6392=1 HA ALA 108 - H LYS 36 lone 5 99 - 5 - HA LEU 22 - H LYS 36 lone 5 99 - 5 - 996/3.9=1 HA ALA 109 - H LYS 36 lone 4 99 - 4 - HA GLN 61 - H LYS 36 lone 4 87 - 4 - HA ALA 16 - H LYS 36 lone 3 100 - 3 - HA ALA 15 - H LYS 36 lone 2 57 - 4 - 3.0/11920=1 HA ALA 110 - H LYS 36 lone 2 65 - 2 - HA PHE 87 - H LYS 36 lone 1 57 - 1 - HA ALA 12 - H LYS 36 lone 0 57 - 1 - Peak 6392 from nnoeabs.peaks (1.82, 8.00, 120.91 ppm; 3.00 A): 5 out of 11 assignments used, quality = 0.94: * HB2 LYS 36 + H LYS 36 OK 83 100 - 83 - 3.9=44, 1.8/6393=27...(13) HB ILE 32 + H LYS 36 OK 30 100 - 30 - 2.1/10892=10...(8) HB3 LYS 31 + H LYS 36 OK 27 92 - 29 - 4.6/11920=6, 4.0/10896=4...(9) HB3 LYS 26 + H LYS 36 OK 20 99 - 20 - 975/3.0=3, 3.0/6394=3...(8) HB3 LYS 24 + H LYS 36 OK 15 98 - 15 - 2.9/6394=3, 975/3.0=2...(5) HB3 LYS 19 - H LYS 36 lone 8 92 - 9 - 975/3.0=1, 984=1 HB2 LEU 100 - H LYS 36 lone 7 92 - 8 - 1.8/6394=2, 975/3.0=1, 997/3.9=1 HB3 LEU 123 - H LYS 36 lone 4 69 - 5 - HB3 ARG 135 - H LYS 36 lone 2 100 - 2 - HB3 ARG 23 - H LYS 36 lone 1 87 - 2 - HB2 ARG 84 - H LYS 36 lone 0 73 - 0 - Peak 6393 from nnoeabs.peaks (1.88, 8.00, 120.91 ppm; 3.09 A): 2 out of 2 assignments used, quality = 0.86: * HB3 LYS 36 + H LYS 36 OK 83 100 - 83 - 3.9=48, 1.8/984=20...(14) HB3 LEU 123 + H LYS 36 OK 18 92 - 20 - 976/3.0=5, 987/3.9=3...(5) Peak 6394 from nnoeabs.peaks (1.38, 8.00, 120.91 ppm; 3.64 A): 2 out of 14 assignments used, quality = 0.94: * HG2 LYS 36 + H LYS 36 OK 92 100 - 92 - 5.0=38, 1.8/6395=33...(18) HG3 LYS 26 + H LYS 36 OK 27 100 - 27 - 977/3.0=4, 3.0/6392=3...(11) HG2 LYS 24 - H LYS 36 OK 27 100 - 27 - 977/3.0=5, 999/3.9=4...(8) HB3 LEU 100 - H LYS 36 OK 14 100 - 14 - 3243/3.9=3, 977/3.0=3...(7) HB2 LEU 96 - H LYS 36 lone 8 100 - 8 - 11824/10892=2 QB ALA 108 - H LYS 36 lone 6 96 - 6 - 2.1/6391=1 QB ALA 15 - H LYS 36 lone 5 99 - 5 - 2.9/11920=1 HG3 LYS 95 - H LYS 36 lone 5 92 - 5 - 4.6/7294=1 QB ALA 28 - H LYS 36 lone 4 98 - 4 - QB ALA 110 - H LYS 36 lone 4 99 - 4 - HG2 LYS 95 - H LYS 36 lone 4 81 - 5 - 4.6/7294=1 QB ALA 29 - H LYS 36 lone 3 100 - 3 - QB ALA 109 - H LYS 36 lone 3 73 - 4 - HB2 LEU 42 - H LYS 36 lone 2 99 - 2 - Peak 6395 from nnoeabs.peaks (1.47, 8.00, 120.91 ppm; 3.60 A): 2 out of 2 assignments used, quality = 0.91: * HG3 LYS 36 + H LYS 36 OK 90 100 - 90 - 5.0=36, 978/3.0=26...(18) HG3 LYS 86 + H LYS 36 OK 10 73 - 14 - 978/3.0=3, 1000/3.9=3...(5) Peak 6396 from nnoeabs.peaks (1.67, 8.00, 120.91 ppm; 3.96 A): 2 out of 7 assignments used, quality = 0.99: * HD2 LYS 36 + H LYS 36 OK 92 100 - 92 - 3.0/6395=29, 6.1=27...(22) HD3 LYS 36 + H LYS 36 OK 92 100 - 92 - 3.0/6395=29, 6.1=27...(22) HD2 LYS 31 - H LYS 36 OK 20 65 - 30 - 6.2/10896=5, 3.5/6392=4...(11) HD2 LYS 24 - H LYS 36 OK 16 65 - 25 - 3.0/6394=4, 979/3.0=3...(8) HB2 LEU 69 - H LYS 36 lone 10 100 - 10 - 1002/3.9=2, 980/3.0=1...(6) HD2 LYS 39 - H LYS 36 poor 7 73 - 10 - 10837/10892=3...(4) QB ALA 88 - H LYS 36 lone 1 65 - 1 - Peak 6397 from nnoeabs.peaks (1.67, 8.00, 120.91 ppm; 3.96 A): 2 out of 7 assignments used, quality = 0.99: HD2 LYS 36 + H LYS 36 OK 92 100 - 92 - 3.0/6395=29, 6.1=27...(22) * HD3 LYS 36 + H LYS 36 OK 92 100 - 92 - 3.0/6395=29, 6.1=27...(22) HD2 LYS 31 - H LYS 36 OK 20 65 - 30 - 6.2/10896=5, 3.5/6392=4...(11) HD2 LYS 24 - H LYS 36 OK 16 65 - 25 - 3.0/6394=4, 979/3.0=3...(8) HB2 LEU 69 - H LYS 36 lone 10 100 - 10 - 1002/3.9=2, 980/3.0=1...(6) HD2 LYS 39 - H LYS 36 poor 7 73 - 10 - 10837/10892=3...(4) QB ALA 88 - H LYS 36 lone 1 65 - 1 - Peak 6400 from nnoeabs.peaks (7.97, 8.00, 120.91 ppm; 2.50 A): 1 out of 3 assignments used, quality = 0.64: * H ILE 37 + H LYS 36 OK 64 100 - 64 - 6402=41, 983/3.0=12...(10) H THR 18 - H LYS 36 lone 8 87 - 9 - 983/3.0=2, 1005/3.9=2...(5) H ASP 64 - H LYS 36 lone 6 73 - 8 - 3.9/6390=2, 983/3.0=1 Peak 6401 from nnoeabs.peaks (7.97, 7.97, 121.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ILE 37 + H ILE 37 OK 100 100 - 100 Peak 6402 from nnoeabs.peaks (8.00, 7.97, 121.77 ppm; 2.50 A): 2 out of 3 assignments used, quality = 0.68: * H LYS 36 + H ILE 37 OK 64 100 - 64 - 6400=41, 3.0/983=12...(10) H SER 94 + H ILE 37 OK 12 96 - 12 - 11917/4.0=5, 973/3.6=2...(4) H ILE 129 - H ILE 37 lone 1 81 - 2 - Peak 6403 from nnoeabs.peaks (4.27, 7.97, 121.77 ppm; 3.02 A): 1 out of 14 assignments used, quality = 0.83: * HA LYS 36 + H ILE 37 OK 83 100 - 83 - 3.6=61, 3.0/6402=24...(8) HA LYS 31 - H ILE 37 lone 10 99 - 10 - 6391/4.4=2, 996/4.6=2...(4) HA LYS 26 - H ILE 37 lone 7 87 - 8 - 3.0/6404=1, 4.0/6406=1...(4) HB THR 115 - H ILE 37 lone 5 100 - 5 - HA LYS 19 - H ILE 37 lone 5 73 - 6 - 3.0/6144=2 HA ALA 108 - H ILE 37 lone 2 99 - 2 - HA ALA 16 - H ILE 37 lone 2 100 - 2 - HA LEU 22 - H ILE 37 lone 2 99 - 2 - HA ALA 109 - H ILE 37 lone 2 99 - 2 - HA GLN 61 - H ILE 37 lone 1 87 - 2 - HA ALA 110 - H ILE 37 lone 1 65 - 1 - HA ALA 15 - H ILE 37 lone 1 57 - 1 - HA PHE 87 - H ILE 37 lone 0 57 - 1 - HA ALA 12 - H ILE 37 lone 0 57 - 0 - Peak 6404 from nnoeabs.peaks (1.82, 7.97, 121.77 ppm; 3.62 A): 2 out of 11 assignments used, quality = 0.91: * HB2 LYS 36 + H ILE 37 OK 88 100 - 88 - 4.6=48, 1.8/1005=30...(8) HB ILE 32 + H ILE 37 OK 25 100 - 25 - 2.9/10904=7, 3.2/6417=4...(8) HB3 LYS 31 - H ILE 37 OK 15 92 - 17 - 975/3.6=3, 6392/4.4=3...(6) HB3 LYS 26 - H ILE 37 OK 14 99 - 14 - 975/3.6=3, 3.0/6406=2...(5) HB3 LEU 123 - H ILE 37 OK 13 69 - 18 - 3.0/6416=6, 3.2/6414=5...(5) HB3 LYS 24 - H ILE 37 OK 13 98 - 13 - 975/3.6=3, 2.9/6406=3...(5) HB3 LYS 19 - H ILE 37 poor 10 92 - 10 - 3.9/6144=2, 975/3.6=1...(5) HB3 ARG 135 - H ILE 37 lone 8 100 - 8 - 4321/2.9=2, ~4313=1 HB2 LEU 100 - H ILE 37 lone 7 92 - 8 - 1.8/6406=2, 975/3.6=2, 997/4.6=1 HB3 ARG 23 - H ILE 37 lone 1 87 - 2 - HB2 ARG 84 - H ILE 37 lone 1 73 - 1 - Peak 6405 from nnoeabs.peaks (1.88, 7.97, 121.77 ppm; 3.44 A): 2 out of 2 assignments used, quality = 0.88: * HB3 LYS 36 + H ILE 37 OK 84 100 - 84 - 4.6=42, 1.8/994=24...(8) HB3 LEU 123 + H ILE 37 OK 28 92 - 30 - 976/3.6=5, 3.0/6416=5...(11) Peak 6406 from nnoeabs.peaks (1.38, 7.97, 121.77 ppm; 4.06 A): 5 out of 14 assignments used, quality = 0.93: * HG2 LYS 36 + H ILE 37 OK 87 100 - 87 - 1.8/6407=30, 1016=28...(9) HG2 LYS 24 + H ILE 37 OK 20 100 - 21 - 977/3.6=5, 999/4.6=4...(7) HG3 LYS 26 + H ILE 37 OK 18 100 - 18 - 977/3.6=4, 6394/4.4=3...(7) HB3 LEU 100 + H ILE 37 OK 13 100 - 13 - 3243/4.6=3, 977/3.6=3...(6) HG3 LYS 95 + H ILE 37 OK 10 92 - 11 - 3000/2.9=2, ~2989=1...(4) HB2 LEU 96 - H ILE 37 lone 9 100 - 9 - 3072/4.9=3, 3.2/6417=1 HG2 LYS 95 - H ILE 37 poor 8 81 - 11 - 3000/2.9=1, ~3000=1...(4) QB ALA 108 - H ILE 37 lone 5 96 - 5 - QB ALA 15 - H ILE 37 lone 4 99 - 4 - QB ALA 28 - H ILE 37 lone 3 98 - 3 - 10761/6413=1 QB ALA 110 - H ILE 37 lone 3 99 - 3 - QB ALA 29 - H ILE 37 lone 3 100 - 3 - QB ALA 109 - H ILE 37 lone 2 73 - 3 - HB2 LEU 42 - H ILE 37 lone 2 99 - 2 - Peak 6407 from nnoeabs.peaks (1.47, 7.97, 121.77 ppm; 4.31 A): 2 out of 2 assignments used, quality = 0.91: * HG3 LYS 36 + H ILE 37 OK 90 100 - 90 - 1027=35, 978/3.6=31...(9) HG3 LYS 86 + H ILE 37 OK 12 73 - 16 - 1000/4.6=4, 978/3.6=4...(5) Peak 6408 from nnoeabs.peaks (1.67, 7.97, 121.77 ppm; 4.13 A): 2 out of 7 assignments used, quality = 0.97: * HD2 LYS 36 + H ILE 37 OK 82 100 - 82 - 3.0/6407=25, 3.5/1005=25...(10) HD3 LYS 36 + H ILE 37 OK 82 100 - 82 - 3.0/6407=25, 3.5/1005=25...(10) HB2 LEU 69 - H ILE 37 OK 15 100 - 15 - 10918/4.9=7, 10912/4.0=3...(5) HD2 LYS 24 - H ILE 37 OK 11 65 - 16 - 3.0/6406=3, 980/3.6=3...(7) HD2 LYS 31 - H ILE 37 poor 10 65 - 15 - 980/3.6=3, 3.5/6404=2...(7) HD2 LYS 39 - H ILE 37 poor 9 73 - 12 - 10912/4.0=8 QB ALA 88 - H ILE 37 lone 1 65 - 2 - Peak 6409 from nnoeabs.peaks (1.67, 7.97, 121.77 ppm; 4.13 A): 2 out of 7 assignments used, quality = 0.97: HD2 LYS 36 + H ILE 37 OK 82 100 - 82 - 3.0/6407=25, 3.5/1005=25...(10) * HD3 LYS 36 + H ILE 37 OK 82 100 - 82 - 3.0/6407=25, 3.5/1005=25...(10) HB2 LEU 69 - H ILE 37 OK 15 100 - 15 - 10918/4.9=7, 10912/4.0=3...(5) HD2 LYS 24 - H ILE 37 OK 11 65 - 16 - 3.0/6406=3, 980/3.6=3...(7) HD2 LYS 31 - H ILE 37 poor 10 65 - 15 - 980/3.6=3, 3.5/6404=2...(7) HD2 LYS 39 - H ILE 37 poor 9 73 - 12 - 10912/4.0=8 QB ALA 88 - H ILE 37 lone 1 65 - 2 - Peak 6412 from nnoeabs.peaks (4.02, 7.97, 121.77 ppm; 3.37 A): 1 out of 7 assignments used, quality = 1.00: * HA ILE 37 + H ILE 37 OK 100 100 - 100 - 2.9=100 HB2 SER 38 - H ILE 37 OK 42 87 - 49 - 3.9/6420=20, 3.0/9012=18...(9) HA LEU 103 - H ILE 37 OK 29 96 - 30 - 3366/5.0=5, 4.3/6416=5...(12) HA LEU 119 - H ILE 37 OK 17 92 - 18 - 3760/4.0=4, 4.1/6414=3...(9) HA LYS 95 - H ILE 37 lone 8 100 - 8 - ~7298=1, 1089/4.0=1 HA ARG 135 - H ILE 37 lone 6 98 - 6 - 3.0/6404=1 HB3 SER 124 - H ILE 37 lone 2 65 - 3 - Peak 6413 from nnoeabs.peaks (1.97, 7.97, 121.77 ppm; 2.96 A): 2 out of 2 assignments used, quality = 0.84: * HB ILE 37 + H ILE 37 OK 80 100 - 80 - 3.8=45, 2.1/1088=20...(11) HB2 GLN 27 + H ILE 37 OK 21 98 - 21 - 1074/2.9=5, 1090/4.0=4...(7) Peak 6414 from nnoeabs.peaks (0.94, 7.97, 121.77 ppm; 3.35 A): 3 out of 3 assignments used, quality = 0.94: * QG2 ILE 37 + H ILE 37 OK 90 100 - 90 - 4.0=58, 2.1/6413=30...(13) QD1 LEU 123 + H ILE 37 OK 24 73 - 33 - 2.1/6416=6, 3.2/6405=6...(10) QD1 LEU 119 + H ILE 37 OK 23 87 - 27 - 1075/2.9=6, 1083/3.8=4...(12) Peak 6415 from nnoeabs.peaks (1.28, 7.97, 121.77 ppm; 3.32 A): 2 out of 2 assignments used, quality = 0.86: * HG12 ILE 37 + H ILE 37 OK 82 100 - 83 - 1096=30, 2.9/6413=23...(11) HB3 LEU 43 + H ILE 37 OK 18 87 - 20 - 1084/3.8=5, 1076/2.9=5...(6) Peak 6416 from nnoeabs.peaks (1.56, 7.97, 121.77 ppm; 3.29 A): 3 out of 3 assignments used, quality = 0.92: * HG13 ILE 37 + H ILE 37 OK 82 100 - 82 - 1104=30, 1.8/6415=28...(10) HG LEU 103 + H ILE 37 OK 37 92 - 41 - 2.1/6417=7, 1077/2.9=6...(14) HG LEU 123 + H ILE 37 OK 27 87 - 31 - 3.0/6405=6, 2.1/6414=6...(10) Peak 6417 from nnoeabs.peaks (0.78, 7.97, 121.77 ppm; 3.55 A): 3 out of 6 assignments used, quality = 0.95: * QD1 ILE 37 + H ILE 37 OK 88 100 - 88 - 4.9=39, 2.1/6415=30...(12) QD1 LEU 103 + H ILE 37 OK 48 98 - 49 - 2.1/6416=9, 3397/2.9=9...(14) QD1 ILE 32 + H ILE 37 OK 29 99 - 29 - 2.1/10904=7, 1078/2.9=4...(10) QG1 VAL 63 - H ILE 37 OK 22 96 - 23 - 2032=4, 11015/5.0=3...(12) QD1 LEU 96 - H ILE 37 lone 8 81 - 10 - 1094/4.0=2, 1078/2.9=2...(4) QD2 LEU 122 - H ILE 37 lone 6 73 - 8 - 1078/2.9=1 Peak 6418 from nnoeabs.peaks (7.98, 7.97, 121.77 ppm; 2.50 A): 2 out of 4 assignments used, quality = 0.68: * H SER 38 + H ILE 37 OK 63 100 - 63 - 6420=40, 1079/2.9=9...(10) H SER 51 + H ILE 37 OK 13 99 - 13 - 1079/2.9=3, 1095/4.0=3...(6) H THR 18 - H ILE 37 lone 6 65 - 9 - 3.0/222=1, 4.0/10904=1 H SER 94 - H ILE 37 lone 4 57 - 6 - 1087/3.8=1, 1079/2.9=1 Peak 6419 from nnoeabs.peaks (7.98, 7.98, 119.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H SER 38 + H SER 38 OK 100 100 - 100 Peak 6420 from nnoeabs.peaks (7.97, 7.98, 119.00 ppm; 2.55 A): 1 out of 3 assignments used, quality = 0.62: * H ILE 37 + H SER 38 OK 62 100 - 62 - 6418=37, 2.9/1079=10...(10) H THR 18 - H SER 38 lone 8 87 - 9 - 1072/3.6=2, 1088/4.2=2 H ASP 64 - H SER 38 lone 4 73 - 5 - 1072/3.6=1 Peak 6421 from nnoeabs.peaks (4.02, 7.98, 119.00 ppm; 3.02 A): 3 out of 7 assignments used, quality = 0.95: * HA ILE 37 + H SER 38 OK 87 100 - 87 - 3.6=61, 2.9/6420=24...(12) HB2 SER 38 + H SER 38 OK 54 87 - 62 - 3.9=45, 1.8/1130=15...(7) HA LEU 103 + H SER 38 OK 15 96 - 16 - 1089/4.2=3, 4.1/6426=2...(8) HA LEU 119 - H SER 38 lone 8 92 - 8 - 3760/4.2=3, 4.1/6423=2 HA LYS 95 - H SER 38 lone 6 100 - 6 - HA ARG 135 - H SER 38 lone 4 98 - 4 - HB3 SER 124 - H SER 38 lone 1 65 - 2 - Peak 6422 from nnoeabs.peaks (1.97, 7.98, 119.00 ppm; 3.78 A): 1 out of 2 assignments used, quality = 0.95: * HB ILE 37 + H SER 38 OK 95 100 - 95 - 4.5=61, 2.1/6423=27...(16) HB2 GLN 27 - H SER 38 OK 26 98 - 26 - 1074/3.6=8, 1090/4.2=6...(7) Peak 6423 from nnoeabs.peaks (0.94, 7.98, 119.00 ppm; 3.63 A): 1 out of 3 assignments used, quality = 0.95: * QG2 ILE 37 + H SER 38 OK 95 100 - 95 - 4.2=66, 2.1/6422=25...(16) QD1 LEU 123 - H SER 38 OK 16 73 - 22 - 1075/3.6=5, 1083/4.5=5...(8) QD1 LEU 119 - H SER 38 OK 15 87 - 17 - 1075/3.6=6, 1083/4.5=4...(6) Peak 6424 from nnoeabs.peaks (1.28, 7.98, 119.00 ppm; 4.66 A): 1 out of 2 assignments used, quality = 0.97: * HG12 ILE 37 + H SER 38 OK 97 100 - 97 - 2.9/6422=32, 3.2/6423=30...(16) HB3 LEU 43 - H SER 38 OK 31 87 - 35 - 1084/4.5=8, 1092/4.2=8...(7) Peak 6425 from nnoeabs.peaks (1.56, 7.98, 119.00 ppm; 4.89 A): 1 out of 3 assignments used, quality = 0.97: * HG13 ILE 37 + H SER 38 OK 97 100 - 97 - 2.9/6422=34, 1.8/6424=32...(16) HG LEU 103 - H SER 38 OK 45 92 - 49 - 1077/3.6=11, 1093/4.2=11...(9) HG LEU 123 - H SER 38 OK 32 87 - 37 - 1093/4.2=9, 1085/4.5=8...(7) Peak 6426 from nnoeabs.peaks (0.78, 7.98, 119.00 ppm; 4.31 A): 2 out of 6 assignments used, quality = 0.96: * QD1 ILE 37 + H SER 38 OK 94 100 - 94 - 3.0/6423=28, 1119=27...(15) QD1 LEU 103 + H SER 38 OK 41 98 - 41 - 3397/3.6=10, 1094/4.2=8...(9) QD1 ILE 32 - H SER 38 OK 26 99 - 27 - 1094/4.2=5, 1078/3.6=4...(9) QG1 VAL 63 - H SER 38 OK 18 96 - 19 - 2032/4.6=4, 1078/3.6=3...(7) QD1 LEU 96 - H SER 38 lone 8 81 - 10 - 1094/4.2=2, 1078/3.6=2...(4) QD2 LEU 122 - H SER 38 lone 5 73 - 7 - 1078/3.6=1, 1094/4.2=1 Peak 6427 from nnoeabs.peaks (4.54, 7.98, 119.00 ppm; 3.57 A): 1 out of 1 assignment used, quality = 1.00: * HA SER 38 + H SER 38 OK 100 100 - 100 - 3.0=100 Peak 6428 from nnoeabs.peaks (4.01, 7.98, 119.00 ppm; 3.04 A): 3 out of 7 assignments used, quality = 0.92: HA ILE 37 + H SER 38 OK 76 87 - 87 - 3.6=63, 2.9/6420=24...(12) * HB2 SER 38 + H SER 38 OK 63 100 - 63 - 3.9=46, 1.8/1130=16...(6) HA LEU 103 + H SER 38 OK 16 99 - 16 - 4.1/6426=2, 4.3/6425=2...(9) HA LYS 95 - H SER 38 lone 5 92 - 5 - HB3 SER 99 - H SER 38 lone 5 65 - 7 - 3.7/9029=3, 3.0/6429=1 HA ARG 135 - H SER 38 lone 4 98 - 4 - HA SER 60 - H SER 38 lone 1 92 - 1 - Peak 6429 from nnoeabs.peaks (4.22, 7.98, 119.00 ppm; 3.76 A): 2 out of 8 assignments used, quality = 0.98: * HB3 SER 38 + H SER 38 OK 92 100 - 92 - 3.9=86, 1.8/6428=17...(8) HA ALA 34 + H SER 38 OK 67 99 - 68 - 10869=30, 2.1/10878=16...(11) HA SER 51 - H SER 38 OK 23 87 - 26 - 1608=6, 2.9/1616=4...(9) HA SER 99 - H SER 38 OK 13 92 - 15 - 2.9/9029=7, 1123/3.0=3...(4) HA HIS 67 - H SER 38 lone 6 92 - 7 - 6435/4.6=3, 1123/3.0=1 HA SER 94 - H SER 38 lone 5 57 - 9 - 9003/4.5=2, 9004/4.2=2 HA ALA 29 - H SER 38 lone 5 87 - 6 - 10779/9040=1 HA GLU 30 - H SER 38 lone 3 98 - 3 - Peak 6430 from nnoeabs.peaks (8.69, 7.98, 119.00 ppm; 4.29 A): 2 out of 3 assignments used, quality = 0.90: * H LYS 39 + H SER 38 OK 88 100 - 88 - 4.6=79, 1134/3.9=22...(5) H PHE 89 + H SER 38 OK 11 100 - 10 - 1124/3.0=4, 1134/3.9=3 H HIS 7 - H SER 38 lone 2 73 - 2 - Peak 6431 from nnoeabs.peaks (8.69, 8.69, 124.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 39 + H LYS 39 OK 100 100 - 100 Peak 6432 from nnoeabs.peaks (7.98, 8.69, 124.20 ppm; 4.50 A): 1 out of 4 assignments used, quality = 0.95: * H SER 38 + H LYS 39 OK 95 100 - 95 - 4.6=91, 3.9/1134=24...(5) H SER 51 - H LYS 39 OK 20 99 - 20 - 1120/3.6=7, 1130/4.6=6...(4) H SER 94 - H LYS 39 lone 4 57 - 6 - 1120/3.6=1, 1125/4.6=1 H THR 18 - H LYS 39 lone 2 65 - 3 - Peak 6433 from nnoeabs.peaks (4.54, 8.69, 124.20 ppm; 3.78 A): 1 out of 1 assignment used, quality = 1.00: * HA SER 38 + H LYS 39 OK 100 100 - 100 - 3.6=100 Peak 6434 from nnoeabs.peaks (4.01, 8.69, 124.20 ppm; 4.66 A): 1 out of 7 assignments used, quality = 1.00: * HB2 SER 38 + H LYS 39 OK 100 100 - 100 - 4.6=100 HA ILE 37 - H LYS 39 OK 37 87 - 43 - 3.6/6430=28, 1122/3.6=12...(4) HA ARG 135 - H LYS 39 OK 16 98 - 16 - 4.2/6442=5, 4308/5.5=3...(6) HA LYS 95 - H LYS 39 OK 12 92 - 13 - 3.6/6445=5, 2960/4.6=3...(4) HA LEU 103 - H LYS 39 lone 9 99 - 9 - 6428/4.6=3, 1122/3.6=2 HB3 SER 99 - H LYS 39 lone 5 65 - 8 - 3.0/6435=4, 3216/4.6=2 HA SER 60 - H LYS 39 lone 3 92 - 3 - 10934/6466=1 Peak 6435 from nnoeabs.peaks (4.22, 8.69, 124.20 ppm; 4.48 A): 1 out of 8 assignments used, quality = 0.96: * HB3 SER 38 + H LYS 39 OK 96 100 - 96 - 4.6=90, 1.8/1129=36...(5) HA HIS 67 - H LYS 39 OK 37 92 - 40 - 11034/4.6=12...(7) HA ALA 34 - H LYS 39 OK 28 99 - 28 - 10869/4.6=17, 1123/3.6=7 HA SER 99 - H LYS 39 OK 22 92 - 24 - 10023/3.9=11, 3206/3.9=4...(5) HA SER 51 - H LYS 39 OK 13 87 - 15 - 3.0/6432=5, 1123/3.6=3...(4) HA ALA 29 - H LYS 39 lone 4 87 - 5 - HA GLU 30 - H LYS 39 lone 3 98 - 3 - HA SER 94 - H LYS 39 lone 3 57 - 5 - 4.9/6434=1 Peak 6436 from nnoeabs.peaks (3.40, 8.69, 124.20 ppm; 4.34 A): 2 out of 2 assignments used, quality = 1.00: * HA LYS 39 + H LYS 39 OK 100 100 - 100 - 2.8=100 HB3 HIS 67 + H LYS 39 OK 52 99 - 52 - 1161/3.9=8, 1150/3.9=8...(13) Peak 6437 from nnoeabs.peaks (1.76, 8.69, 124.20 ppm; 4.04 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LYS 39 + H LYS 39 OK 100 100 - 100 - 3.9=100 HB2 ARG 23 - H LYS 39 OK 30 87 - 34 - 1137/2.8=8, 1162/3.9=7...(9) Peak 6438 from nnoeabs.peaks (2.08, 8.69, 124.20 ppm; 4.13 A): 1 out of 6 assignments used, quality = 1.00: * HB3 LYS 39 + H LYS 39 OK 100 100 - 100 - 3.9=100 HG3 GLN 134 - H LYS 39 OK 26 98 - 26 - 1138/2.8=5, 1152/3.9=4...(9) HB2 GLU 128 - H LYS 39 OK 24 99 - 24 - 1138/2.8=5, 1152/3.9=4...(8) HB3 GLU 44 - H LYS 39 OK 20 100 - 20 - 1138/2.8=4, 1152/3.9=4...(7) HB2 GLU 102 - H LYS 39 OK 14 98 - 14 - 3332/4.6=2, 1138/2.8=2...(8) HG3 PRO 58 - H LYS 39 lone 6 81 - 7 - 1138/2.8=1, 1152/3.9=1 Peak 6439 from nnoeabs.peaks (1.13, 8.69, 124.20 ppm; 4.56 A): 3 out of 4 assignments used, quality = 1.00: * HG2 LYS 39 + H LYS 39 OK 98 100 - 98 - 4.7=91, 1.8/6440=25...(13) QG2 VAL 132 + H LYS 39 OK 60 96 - 63 - 10551=19, 10923/3.6=10...(18) QG1 VAL 132 + H LYS 39 OK 60 96 - 63 - 2.1/10551=17, 1139/2.8=9...(15) QG2 THR 115 - H LYS 39 OK 17 100 - 16 - 1139/2.8=3, 1164/3.9=2...(8) Peak 6440 from nnoeabs.peaks (1.16, 8.69, 124.20 ppm; 4.57 A): 2 out of 2 assignments used, quality = 0.99: * HG3 LYS 39 + H LYS 39 OK 98 100 - 98 - 4.7=91, 6453/4.6=18...(14) HG12 ILE 32 + H LYS 39 OK 52 87 - 60 - 1140/2.8=11, 1154/3.9=11...(12) Peak 6441 from nnoeabs.peaks (1.68, 8.69, 124.20 ppm; 5.11 A): 1 out of 4 assignments used, quality = 0.98: * HD2 LYS 39 + H LYS 39 OK 98 100 - 98 - 5.5=79, 1195/3.9=34...(16) HD3 LYS 36 - H LYS 39 OK 27 73 - 37 - 1141/2.8=6, 1166/3.9=5...(11) HD2 LYS 36 - H LYS 39 OK 27 73 - 37 - 1141/2.8=6, 1166/3.9=5...(11) HB2 LEU 69 - H LYS 39 OK 14 65 - 21 - 1141/2.8=3, 1188/4.7=3...(9) Peak 6442 from nnoeabs.peaks (1.71, 8.69, 124.20 ppm; 4.65 A): 2 out of 6 assignments used, quality = 0.96: * HD3 LYS 39 + H LYS 39 OK 92 100 - 92 - 5.5=60, 1206/3.9=30...(13) HG2 ARG 135 + H LYS 39 OK 44 98 - 46 - 6455/4.6=7, 11689/4.7=7...(13) HB3 LEU 70 - H LYS 39 OK 31 100 - 31 - 1142/2.8=5, 1156/3.9=5...(10) HB2 LEU 70 - H LYS 39 OK 31 99 - 31 - 1142/2.8=5, 1156/3.9=5...(10) HG LEU 48 - H LYS 39 OK 11 100 - 11 - 1142/2.8=2, 6455/4.6=2...(6) HG LEU 98 - H LYS 39 OK 10 96 - 10 - 1142/2.8=1, 1156/3.9=1...(5) Peak 6445 from nnoeabs.peaks (8.28, 8.69, 124.20 ppm; 4.24 A): 1 out of 5 assignments used, quality = 0.93: * H GLU 40 + H LYS 39 OK 93 100 - 93 - 4.6=77, 6450/3.9=25...(14) H LEU 43 - H LYS 39 OK 27 81 - 33 - 6494/2.8=13, 1159/3.9=4...(10) H LEU 96 - H LYS 39 OK 25 87 - 28 - 10921/4.6=4, 1145/2.8=4...(12) H ASP 131 - H LYS 39 poor 8 57 - 13 - 10921/4.6=2, 1159/3.9=2...(8) H VAL 126 - H LYS 39 lone 4 57 - 6 - Peak 6447 from nnoeabs.peaks (8.28, 8.28, 116.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 40 + H GLU 40 OK 100 100 - 100 Peak 6448 from nnoeabs.peaks (8.69, 8.28, 116.30 ppm; 4.08 A): 2 out of 3 assignments used, quality = 0.92: * H LYS 39 + H GLU 40 OK 90 100 - 90 - 4.6=68, 3.9/6450=23...(13) H PHE 89 + H GLU 40 OK 23 100 - 23 - 1135/3.6=7, 1160/4.7=6...(7) H HIS 7 - H GLU 40 lone 2 73 - 2 - Peak 6449 from nnoeabs.peaks (3.40, 8.28, 116.30 ppm; 5.39 A): 2 out of 2 assignments used, quality = 1.00: * HA LYS 39 + H GLU 40 OK 100 100 - 100 - 3.6=100 HB3 HIS 67 + H GLU 40 OK 55 99 - 55 - 3.0/11034=24...(8) Peak 6450 from nnoeabs.peaks (1.76, 8.28, 116.30 ppm; 3.52 A): 2 out of 2 assignments used, quality = 0.82: * HB2 LYS 39 + H GLU 40 OK 78 100 - 79 - 4.7=43, 1.8/6451=18...(10) HB2 ARG 23 + H GLU 40 OK 15 87 - 17 - 1137/3.6=5, 1162/4.7=4...(6) Peak 6451 from nnoeabs.peaks (2.08, 8.28, 116.30 ppm; 3.90 A): 4 out of 6 assignments used, quality = 0.95: * HB3 LYS 39 + H GLU 40 OK 90 100 - 90 - 4.7=59, 1.8/6450=35...(10) HB2 GLU 128 + H GLU 40 OK 23 99 - 23 - 4088/4.6=5, 3.6/6463=4...(8) HG3 GLN 134 + H GLU 40 OK 17 98 - 18 - 1138/3.6=4, 1152/4.7=3...(7) HB3 GLU 44 + H GLU 40 OK 16 100 - 16 - 3.9/6518=3, 1138/3.6=3...(7) HB2 GLU 102 - H GLU 40 lone 8 98 - 8 - 1138/3.6=2, 1152/4.7=1 HG3 PRO 58 - H GLU 40 lone 4 81 - 5 - 1138/3.6=1 Peak 6452 from nnoeabs.peaks (1.13, 8.28, 116.30 ppm; 4.44 A): 3 out of 4 assignments used, quality = 0.96: * HG2 LYS 39 + H GLU 40 OK 86 100 - 86 - 2.9/6450=33, 1.8/6453=30...(12) QG2 VAL 132 + H GLU 40 OK 54 96 - 56 - 11657/4.8=17...(14) QG1 VAL 132 + H GLU 40 OK 46 96 - 48 - 11651=11, 1139/3.6=7...(13) QG2 THR 115 - H GLU 40 OK 12 100 - 12 - 1139/3.6=2, 1153/4.7=2...(4) Peak 6453 from nnoeabs.peaks (1.16, 8.28, 116.30 ppm; 4.12 A): 2 out of 2 assignments used, quality = 0.85: * HG3 LYS 39 + H GLU 40 OK 78 100 - 78 - 2.9/6450=30, 3.0/6454=25...(9) HG12 ILE 32 + H GLU 40 OK 31 87 - 36 - 1140/3.6=8, 1154/4.7=7...(9) Peak 6454 from nnoeabs.peaks (1.68, 8.28, 116.30 ppm; 3.84 A): 1 out of 4 assignments used, quality = 0.77: * HD2 LYS 39 + H GLU 40 OK 77 100 - 77 - 3.6/6450=23, 3.0/6453=19...(12) HD3 LYS 36 - H GLU 40 poor 10 73 - 13 - 1141/3.6=3, 1155/4.7=3...(5) HD2 LYS 36 - H GLU 40 poor 10 73 - 13 - 1141/3.6=3, 1155/4.7=3...(5) HB2 LEU 69 - H GLU 40 lone 5 65 - 8 - 1141/3.6=2, 1166/4.7=1...(4) Peak 6455 from nnoeabs.peaks (1.71, 8.28, 116.30 ppm; 3.89 A): 5 out of 6 assignments used, quality = 0.93: * HD3 LYS 39 + H GLU 40 OK 78 100 - 78 - 1.8/6454=29, 3.6/6450=23...(12) HG2 ARG 135 + H GLU 40 OK 47 98 - 48 - 1.8/6460=10, 4333/4.0=8...(13) HB3 LEU 70 + H GLU 40 OK 17 100 - 17 - 1142/3.6=3, 1156/4.7=3...(7) HB2 LEU 70 + H GLU 40 OK 17 99 - 17 - 1142/3.6=3, 1156/4.7=3...(7) HG LEU 48 + H GLU 40 OK 10 100 - 10 - 3.0/6459=2, 1515/4.0=1 HG LEU 98 - H GLU 40 lone 7 96 - 7 - 5.1/7354=1 Peak 6458 from nnoeabs.peaks (3.84, 8.28, 116.30 ppm; 3.82 A): 1 out of 6 assignments used, quality = 1.00: * HA GLU 40 + H GLU 40 OK 100 100 - 100 - 2.8=100 HA LEU 62 - H GLU 40 OK 18 96 - 19 - 3.9/11008=3, 1248/4.0=2...(8) HA LEU 123 - H GLU 40 OK 15 87 - 17 - 1248/4.0=2, 1255/4.0=2...(6) HB2 SER 50 - H GLU 40 lone 8 96 - 9 - 1248/4.0=2, 1255/4.0=2...(6) HB3 SER 33 - H GLU 40 lone 2 57 - 3 - HD2 PRO 81 - H GLU 40 lone 1 57 - 2 - Peak 6459 from nnoeabs.peaks (1.90, 8.28, 116.30 ppm; 3.66 A): 2 out of 5 assignments used, quality = 0.95: * HB2 GLU 40 + H GLU 40 OK 92 100 - 92 - 4.0=79, 1.8/1254=25...(8) HB2 ARG 135 + H GLU 40 OK 39 98 - 40 - 1239/2.8=8, 1256/4.0=8...(8) HB3 LEU 123 - H GLU 40 poor 9 74 - 11 - 3.0/6458=3, 1239/2.8=2...(5) HB3 LEU 48 - H GLU 40 lone 8 92 - 8 - 1239/2.8=2, 3.0/6455=2 HB3 ARG 84 - H GLU 40 lone 5 92 - 5 - 1239/2.8=1 Peak 6460 from nnoeabs.peaks (2.04, 8.28, 116.30 ppm; 3.49 A): 3 out of 6 assignments used, quality = 0.93: * HB3 GLU 40 + H GLU 40 OK 87 100 - 87 - 4.0=68, 1.8/1247=22...(6) HG3 ARG 135 + H GLU 40 OK 37 98 - 38 - 1.8/6455=8, 1240/2.8=7...(8) HB3 GLU 55 + H GLU 40 OK 21 87 - 24 - 3.0/6462=6, 1240/2.8=4...(7) HB3 GLU 91 - H GLU 40 lone 5 98 - 5 - 1240/2.8=1 HG2 PRO 58 - H GLU 40 lone 2 65 - 3 - QE MET 11 - H GLU 40 lone 2 92 - 2 - Peak 6461 from nnoeabs.peaks (2.31, 8.28, 116.30 ppm; 4.19 A): 1 out of 2 assignments used, quality = 0.91: * HG2 GLU 40 + H GLU 40 OK 91 100 - 91 - 4.8=68, 1.8/6462=27...(8) HG3 GLN 68 - H GLU 40 lone 5 65 - 7 - 1241/2.8=2, 1251/4.0=2...(4) Peak 6462 from nnoeabs.peaks (2.39, 8.28, 116.30 ppm; 4.20 A): 2 out of 2 assignments used, quality = 0.96: * HG3 GLU 40 + H GLU 40 OK 93 100 - 93 - 4.8=69, 1.8/6461=36...(8) HG3 GLU 55 + H GLU 40 OK 40 98 - 41 - 1242/2.8=10, 1259/4.0=10...(7) Peak 6463 from nnoeabs.peaks (7.89, 8.28, 116.30 ppm; 3.78 A): 3 out of 4 assignments used, quality = 0.86: * H ALA 41 + H GLU 40 OK 81 100 - 81 - 4.6=56, 1260/4.0=15...(10) H GLU 128 + H GLU 40 OK 18 87 - 21 - 1243/2.8=4, 3.6/6451=3...(8) H GLN 104 + H GLU 40 OK 11 92 - 12 - 1243/2.8=2, 1260/4.0=2...(5) H SER 106 - H GLU 40 lone 7 81 - 9 - 1274/4.8=3, 1243/2.8=2...(5) Peak 6465 from nnoeabs.peaks (7.89, 7.89, 122.33 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 41 + H ALA 41 OK 100 100 - 100 Peak 6466 from nnoeabs.peaks (8.69, 7.89, 122.33 ppm; 5.86 A): 2 out of 3 assignments used, quality = 0.72: * H LYS 39 + H ALA 41 OK 69 100 - 69 - 6448/4.6=31, ~6479=24...(6) H PHE 89 + H ALA 41 OK 12 100 - 12 - 6448/4.6=8, 1134/9033=1 H HIS 7 - H ALA 41 lone 2 73 - 3 - Peak 6468 from nnoeabs.peaks (8.28, 7.89, 122.33 ppm; 3.72 A): 3 out of 5 assignments used, quality = 0.86: * H GLU 40 + H ALA 41 OK 79 100 - 79 - 4.6=54, 4.0/1260=14...(10) H LEU 43 + H ALA 41 OK 25 81 - 31 - 10942/3.0=9, 1244/3.6=8...(6) H VAL 126 + H ALA 41 OK 11 57 - 19 - 3.5/7819=5, 2.9/11598=4...(7) H LEU 96 - H ALA 41 poor 9 87 - 10 - 1237/3.6=2, 1254/4.6=1...(4) H ASP 131 - H ALA 41 poor 6 57 - 11 - 4.5/7879=2, ~7921=2...(4) Peak 6469 from nnoeabs.peaks (3.84, 7.89, 122.33 ppm; 4.18 A): 1 out of 6 assignments used, quality = 1.00: * HA GLU 40 + H ALA 41 OK 100 100 - 100 - 3.6=100 HA LEU 62 - H ALA 41 OK 15 96 - 16 - 6458/4.6=3, 1248/4.6=2...(5) HA LEU 123 - H ALA 41 OK 14 87 - 16 - 1248/4.6=3, 1255/4.6=2...(5) HB2 SER 50 - H ALA 41 lone 8 96 - 8 - 1248/4.6=2, 1255/4.6=2...(4) HB3 SER 33 - H ALA 41 lone 3 57 - 5 - 1.8/6474=1 HD2 PRO 81 - H ALA 41 lone 1 57 - 2 - Peak 6470 from nnoeabs.peaks (1.90, 7.89, 122.33 ppm; 3.99 A): 2 out of 5 assignments used, quality = 0.93: * HB2 GLU 40 + H ALA 41 OK 89 100 - 89 - 4.6=66, 1.8/1260=27...(9) HB2 ARG 135 + H ALA 41 OK 35 98 - 36 - 1239/3.6=8, 1256/4.6=8...(9) HB3 LEU 123 - H ALA 41 poor 9 74 - 12 - 3.0/6469=3, ~9069=2...(6) HB3 LEU 48 - H ALA 41 lone 6 92 - 7 - 1239/3.6=2, 1256/4.6=1 HB3 ARG 84 - H ALA 41 lone 5 92 - 5 - 1239/3.6=1 Peak 6471 from nnoeabs.peaks (2.04, 7.89, 122.33 ppm; 3.87 A): 3 out of 6 assignments used, quality = 0.92: * HB3 GLU 40 + H ALA 41 OK 86 100 - 86 - 4.6=61, 1.8/6470=22...(11) HG3 ARG 135 + H ALA 41 OK 31 98 - 32 - 1240/3.6=7, 2.9/6470=7...(9) HB3 GLU 55 + H ALA 41 OK 16 87 - 19 - 3.0/6473=6, 1240/3.6=5...(6) HB3 GLU 91 - H ALA 41 lone 6 98 - 6 - 1240/3.6=1 HG2 PRO 58 - H ALA 41 lone 2 65 - 3 - QE MET 11 - H ALA 41 lone 2 92 - 2 - Peak 6472 from nnoeabs.peaks (2.31, 7.89, 122.33 ppm; 5.59 A): 1 out of 2 assignments used, quality = 0.90: * HG2 GLU 40 + H ALA 41 OK 90 100 - 90 - 6461/4.6=34, 3.0/1260=32...(11) HG3 GLN 68 - H ALA 41 poor 7 65 - 11 - 1241/3.6=2, 1251/4.6=2...(4) Peak 6473 from nnoeabs.peaks (2.39, 7.89, 122.33 ppm; 5.24 A): 2 out of 2 assignments used, quality = 0.95: * HG3 GLU 40 + H ALA 41 OK 91 100 - 91 - 1.8/6472=34, 3.0/1260=31...(10) HG3 GLU 55 + H ALA 41 OK 44 98 - 45 - 1242/3.6=13, 1259/4.6=12...(6) Peak 6474 from nnoeabs.peaks (3.91, 7.89, 122.33 ppm; 3.69 A): 1 out of 7 assignments used, quality = 1.00: * HA ALA 41 + H ALA 41 OK 100 100 - 100 - 2.9=100 HB2 SER 60 - H ALA 41 OK 25 100 - 25 - ~10933=9, 1283/3.0=5...(8) HB3 SER 60 - H ALA 41 OK 25 100 - 25 - ~10933=9, 1283/3.0=5...(8) HB2 SER 33 - H ALA 41 lone 4 99 - 4 - HB2 SER 94 - H ALA 41 lone 1 81 - 2 - HA3 GLY 75 - H ALA 41 lone 1 87 - 1 - HA2 GLY 14 - H ALA 41 lone 1 65 - 1 - Peak 6475 from nnoeabs.peaks (1.17, 7.89, 122.33 ppm; 3.06 A): 1 out of 3 assignments used, quality = 1.00: * QB ALA 41 + H ALA 41 OK 100 100 - 100 - 3.0=100 QG2 THR 18 - H ALA 41 OK 15 100 - 15 - 9056/3.6=3, 10682/6472=3...(5) HG12 ILE 32 - H ALA 41 lone 6 73 - 8 - 1277/2.9=1, ~9070=1, 9056/3.6=1 Peak 6476 from nnoeabs.peaks (7.49, 7.89, 122.33 ppm; 3.70 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 42 + H ALA 41 OK 100 100 - 100 - 3.5=100 H GLN 134 - H ALA 41 OK 23 100 - 23 - 10606/3.0=12, 1278/2.9=7...(4) HE22 GLN 127 - H ALA 41 OK 14 65 - 21 - 3.5/4067=5, 3.5/4076=5...(6) Peak 6477 from nnoeabs.peaks (8.29, 7.89, 122.33 ppm; 3.72 A): 3 out of 4 assignments used, quality = 0.83: H GLU 40 + H ALA 41 OK 63 81 - 78 - 4.6=53, 4.0/1260=14...(9) * H LEU 43 + H ALA 41 OK 41 100 - 41 - 10942/3.0=14, 1244/3.6=9...(6) H VAL 126 + H ALA 41 OK 24 98 - 25 - 3.5/7819=5, 10937/2.9=4...(7) H SER 99 - H ALA 41 lone 8 96 - 8 - 10937/2.9=2, 6491/3.5=2 Peak 6478 from nnoeabs.peaks (7.49, 7.49, 120.97 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 42 + H LEU 42 OK 100 100 - 100 Peak 6479 from nnoeabs.peaks (3.40, 7.49, 120.97 ppm; 4.86 A): 1 out of 2 assignments used, quality = 0.71: * HA LYS 39 + H LEU 42 OK 71 100 - 71 - 6494/3.9=22, 1148/4.0=20...(8) HB3 HIS 67 - H LEU 42 lone 5 99 - 5 - 6494/3.9=2, 6449/6480=1 Peak 6480 from nnoeabs.peaks (8.28, 7.49, 120.97 ppm; 4.01 A): 3 out of 5 assignments used, quality = 0.91: H LEU 43 + H LEU 42 OK 81 81 - 100 - 3.9=100 * H GLU 40 + H LEU 42 OK 49 100 - 49 - 6463/3.5=19, 3.6/6479=19...(10) H VAL 126 + H LEU 42 OK 12 57 - 20 - 6477/3.5=3, 1330/4.6=3...(8) H LEU 96 - H LEU 42 poor 9 87 - 11 - 3.8/6486=3, 6468/3.5=2...(5) H ASP 131 - H LEU 42 poor 9 57 - 15 - 3.3/7921=5, 2.9/4192=4...(5) Peak 6481 from nnoeabs.peaks (3.84, 7.49, 120.97 ppm; 6.16 A): 1 out of 6 assignments used, quality = 0.93: * HA GLU 40 + H LEU 42 OK 93 100 - 93 - 4.9/6479=33, 9056/3.7=23...(13) HA LEU 62 - H LEU 42 OK 24 96 - 25 - 6495/3.9=13, 6469/3.5=5 HA LEU 123 - H LEU 42 OK 18 87 - 21 - 3916/3.9=8, 6469/3.5=5...(5) HB2 SER 50 - H LEU 42 OK 15 96 - 16 - 11698/9027=9, 6469/3.5=3 HB3 SER 33 - H LEU 42 lone 5 57 - 8 - 1.8/6483=2, 6469/3.5=1, ~6474=1 HD2 PRO 81 - H LEU 42 lone 3 57 - 5 - 6495/3.9=1 Peak 6482 from nnoeabs.peaks (7.89, 7.49, 120.97 ppm; 3.92 A): 1 out of 4 assignments used, quality = 1.00: * H ALA 41 + H LEU 42 OK 100 100 - 100 - 3.5=100 H GLU 128 - H LEU 42 OK 17 87 - 20 - 6496/3.9=4, 1275/3.6=4...(7) H GLN 104 - H LEU 42 lone 7 92 - 7 - 1275/3.6=2, 1282/3.7=1 H SER 106 - H LEU 42 lone 3 81 - 3 - Peak 6483 from nnoeabs.peaks (3.91, 7.49, 120.97 ppm; 5.39 A): 1 out of 7 assignments used, quality = 1.00: * HA ALA 41 + H LEU 42 OK 100 100 - 100 - 3.6=100 HB2 SER 60 - H LEU 42 OK 25 100 - 25 - 6474/3.5=7, 1283/3.7=7...(6) HB3 SER 60 - H LEU 42 OK 25 100 - 25 - 6474/3.5=7, 1283/3.7=7...(6) HB2 SER 33 - H LEU 42 lone 8 99 - 7 - 6497/3.9=2, 6474/3.5=1 HB2 SER 94 - H LEU 42 lone 5 81 - 6 - 11338/6488=2, 6497/3.9=1 HA3 GLY 75 - H LEU 42 lone 3 87 - 4 - HA2 GLY 14 - H LEU 42 lone 3 65 - 4 - Peak 6484 from nnoeabs.peaks (1.17, 7.49, 120.97 ppm; 3.64 A): 1 out of 3 assignments used, quality = 0.95: * QB ALA 41 + H LEU 42 OK 95 100 - 95 - 3.7=93, 9073/2.8=12...(7) QG2 THR 18 - H LEU 42 OK 14 100 - 14 - 6475/3.5=4, 9073/2.8=3...(4) HG12 ILE 32 - H LEU 42 lone 6 73 - 8 - 10567/4256=2, 1277/3.6=2...(4) Peak 6485 from nnoeabs.peaks (3.48, 7.49, 120.97 ppm; 4.04 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 42 + H LEU 42 OK 100 100 - 100 - 2.8=100 Peak 6486 from nnoeabs.peaks (1.38, 7.49, 120.97 ppm; 3.88 A): 1 out of 13 assignments used, quality = 0.98: * HB2 LEU 42 + H LEU 42 OK 98 100 - 98 - 4.0=94, 1.8/6487=25...(7) HB2 LEU 96 - H LEU 42 OK 19 99 - 19 - 1288/2.8=4, 1333/4.8=3...(7) HB3 LEU 100 - H LEU 42 poor 10 100 - 10 - 6500/3.9=2, 1288/2.8=2...(5) QB ALA 28 - H LEU 42 lone 8 92 - 9 - 2.9/6492=3, 6500/3.9=1 HG2 LYS 36 - H LEU 42 lone 6 99 - 6 - QB ALA 15 - H LEU 42 lone 5 96 - 5 - QB ALA 29 - H LEU 42 lone 4 99 - 4 - HG2 LYS 24 - H LEU 42 lone 4 100 - 4 - HG3 LYS 95 - H LEU 42 lone 4 81 - 5 - HG3 LYS 26 - H LEU 42 lone 3 98 - 3 - HG2 LYS 95 - H LEU 42 lone 3 65 - 4 - QB ALA 110 - H LEU 42 lone 2 96 - 2 - QB ALA 108 - H LEU 42 lone 2 87 - 2 - Peak 6487 from nnoeabs.peaks (1.54, 7.49, 120.97 ppm; 3.86 A): 1 out of 3 assignments used, quality = 0.98: * HB3 LEU 42 + H LEU 42 OK 98 100 - 98 - 4.0=93, 3.1/6490=23...(7) HB2 LEU 22 - H LEU 42 OK 24 100 - 24 - 1289/2.8=5, 1301/4.0=4...(7) HB2 LEU 119 - H LEU 42 OK 23 100 - 23 - 1289/2.8=5, 1301/4.0=4...(6) Peak 6488 from nnoeabs.peaks (1.49, 7.49, 120.97 ppm; 4.12 A): 2 out of 2 assignments used, quality = 0.94: * HG LEU 42 + H LEU 42 OK 93 100 - 93 - 4.6=71, 2.1/6490=31...(8) QB ALA 52 + H LEU 42 OK 24 81 - 30 - 1290/2.8=7, 1302/4.0=6...(6) Peak 6489 from nnoeabs.peaks (0.63, 7.49, 120.97 ppm; 4.38 A): 1 out of 2 assignments used, quality = 0.97: * QD1 LEU 42 + H LEU 42 OK 97 100 - 97 - 4.6=85, 2.1/6490=35...(11) QD1 ILE 129 - H LEU 42 OK 36 81 - 45 - 6503/3.9=9, 1291/2.8=9...(8) Peak 6490 from nnoeabs.peaks (0.56, 7.49, 120.97 ppm; 4.49 A): 1 out of 1 assignment used, quality = 0.97: * QD2 LEU 42 + H LEU 42 OK 97 100 - 97 - 4.8=80, 2.1/6488=32...(12) Peak 6491 from nnoeabs.peaks (8.29, 7.49, 120.97 ppm; 3.91 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 43 + H LEU 42 OK 100 100 - 100 - 3.9=100 H GLU 40 - H LEU 42 OK 36 81 - 44 - 3.6/6479=18, 6477/3.5=13...(9) H VAL 126 - H LEU 42 OK 26 98 - 27 - 7801/3.5=5, 10937/3.6=4...(8) H SER 99 - H LEU 42 OK 16 96 - 17 - 1293/2.8=3, 1338/4.8=3...(7) Peak 6492 from nnoeabs.peaks (8.33, 7.49, 120.97 ppm; 4.28 A): 2 out of 3 assignments used, quality = 0.70: * H GLU 44 + H LEU 42 OK 67 100 - 67 - 6511/3.9=24, 1279/3.6=22...(8) H ALA 28 + H LEU 42 OK 10 87 - 11 - 6511/3.9=5, 1279/3.6=2 H LYS 86 - H LEU 42 poor 9 81 - 11 - 6.9/11791=6, 6511/3.9=3 Peak 6493 from nnoeabs.peaks (8.29, 8.29, 119.18 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 43 + H LEU 43 OK 100 100 - 100 Peak 6494 from nnoeabs.peaks (3.40, 8.29, 119.18 ppm; 5.38 A): 1 out of 2 assignments used, quality = 0.74: * HA LYS 39 + H LEU 43 OK 74 100 - 74 - 6479/3.9=32, 1148/4.6=22...(15) HB3 HIS 67 - H LEU 43 lone 8 99 - 8 - 6479/3.9=2 Peak 6495 from nnoeabs.peaks (3.84, 8.29, 119.18 ppm; 4.50 A): 3 out of 6 assignments used, quality = 0.95: * HA GLU 40 + H LEU 43 OK 83 100 - 83 - 1245/3.9=26, 1246/3.9=20...(16) HA LEU 62 + H LEU 43 OK 56 96 - 59 - 11804/4.5=10...(11) HA LEU 123 + H LEU 43 OK 34 87 - 39 - 3916=9, 3.6/7772=4...(13) HB2 SER 50 - H LEU 43 lone 8 96 - 8 - 6481/3.9=2, 6514/3.9=1 HD2 PRO 81 - H LEU 43 lone 5 57 - 9 - 11805/4.4=2, 2.3/10940=2 HB3 SER 33 - H LEU 43 lone 3 57 - 5 - 1.8/6497=1 Peak 6496 from nnoeabs.peaks (7.89, 8.29, 119.18 ppm; 5.67 A): 2 out of 4 assignments used, quality = 0.76: * H ALA 41 + H LEU 43 OK 66 100 - 66 - 3.0/10942=29...(10) H GLU 128 + H LEU 43 OK 30 87 - 34 - 7840=7, 3.2/7807=7...(9) H GLN 104 - H LEU 43 poor 10 92 - 11 - 10278/11534=4, 6482/3.9=2 H SER 106 - H LEU 43 lone 6 81 - 7 - 10278/11534=2 Peak 6497 from nnoeabs.peaks (3.91, 8.29, 119.18 ppm; 6.61 A): 3 out of 7 assignments used, quality = 0.88: * HA ALA 41 + H LEU 43 OK 82 100 - 82 - 1279/3.9=39...(7) HB2 SER 60 + H LEU 43 OK 18 100 - 19 - 6483/3.9=6, 6515/3.9=6...(5) HB3 SER 60 + H LEU 43 OK 18 100 - 19 - 6483/3.9=6, 6515/3.9=6...(5) HB2 SER 33 - H LEU 43 lone 10 99 - 9 - 6515/3.9=2, 6483/3.9=2 HB2 SER 94 - H LEU 43 lone 8 81 - 10 - 11338/9247=4, 6483/3.9=1 HA3 GLY 75 - H LEU 43 lone 6 87 - 7 - 6515/3.9=2, 6533/6535=2 HA2 GLY 14 - H LEU 43 lone 3 65 - 5 - 4.9/6500=1 Peak 6498 from nnoeabs.peaks (7.49, 8.29, 119.18 ppm; 3.96 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 42 + H LEU 43 OK 100 100 - 100 - 3.9=100 H GLN 134 + H LEU 43 OK 48 100 - 48 - 7938/2.8=11, 1286/3.6=8...(12) HE22 GLN 127 - H LEU 43 lone 6 65 - 8 - 4.5/10940=3, 6.8/7807=1 Peak 6499 from nnoeabs.peaks (3.48, 8.29, 119.18 ppm; 5.15 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 42 + H LEU 43 OK 100 100 - 100 - 3.6=100 Peak 6500 from nnoeabs.peaks (1.38, 8.29, 119.18 ppm; 4.42 A): 1 out of 13 assignments used, quality = 0.98: * HB2 LEU 42 + H LEU 43 OK 98 100 - 98 - 4.6=88, 3.1/6504=32...(11) HB2 LEU 96 - H LEU 43 OK 30 99 - 30 - 3.0/3062=5, 4.4/7350=4...(10) HB3 LEU 100 - H LEU 43 OK 24 100 - 24 - ~10036=4, ~10039=4...(8) QB ALA 28 - H LEU 43 OK 15 92 - 16 - 2.9/6511=6, ~1346=3...(4) HG2 LYS 36 - H LEU 43 lone 7 99 - 7 - 1147/6494=1, 1288/3.6=1 QB ALA 29 - H LEU 43 lone 6 99 - 6 - QB ALA 15 - H LEU 43 lone 5 96 - 5 - HG2 LYS 24 - H LEU 43 lone 5 100 - 5 - HG3 LYS 26 - H LEU 43 lone 5 98 - 5 - HG3 LYS 95 - H LEU 43 lone 4 81 - 5 - QB ALA 110 - H LEU 43 lone 3 96 - 3 - HG2 LYS 95 - H LEU 43 lone 3 65 - 4 - QB ALA 108 - H LEU 43 lone 2 87 - 3 - Peak 6501 from nnoeabs.peaks (1.54, 8.29, 119.18 ppm; 4.09 A): 3 out of 3 assignments used, quality = 0.94: * HB3 LEU 42 + H LEU 43 OK 92 100 - 92 - 4.6=70, 3.1/6504=28...(10) HB2 LEU 22 + H LEU 43 OK 19 100 - 19 - 1289/3.6=5, 6487/3.9=4...(6) HB2 LEU 119 + H LEU 43 OK 18 100 - 18 - 1289/3.6=5, 1301/4.6=4...(6) Peak 6502 from nnoeabs.peaks (1.49, 8.29, 119.18 ppm; 4.43 A): 2 out of 2 assignments used, quality = 0.87: * HG LEU 42 + H LEU 43 OK 82 100 - 82 - 2.1/6504=39, 2.1/6503=25...(9) QB ALA 52 + H LEU 43 OK 28 81 - 34 - 1290/3.6=6, 9247=6...(9) Peak 6503 from nnoeabs.peaks (0.63, 8.29, 119.18 ppm; 4.30 A): 2 out of 2 assignments used, quality = 0.91: * QD1 LEU 42 + H LEU 43 OK 83 100 - 83 - 2.1/6504=38, 2.1/6502=26...(9) QD1 ILE 129 + H LEU 43 OK 43 81 - 54 - 11635/4.6=11, 2.1/6510=8...(11) Peak 6504 from nnoeabs.peaks (0.56, 8.29, 119.18 ppm; 4.19 A): 1 out of 1 assignment used, quality = 0.86: * QD2 LEU 42 + H LEU 43 OK 86 100 - 86 - 1338=29, 2.1/6502=25...(13) Peak 6505 from nnoeabs.peaks (3.78, 8.29, 119.18 ppm; 4.04 A): 2 out of 3 assignments used, quality = 1.00: * HA LEU 43 + H LEU 43 OK 100 100 - 100 - 2.8=100 HA SER 130 + H LEU 43 OK 52 100 - 52 - 3.0/11640=15...(13) HB3 SER 130 - H LEU 43 OK 39 81 - 48 - 11640=15, 10509/4.4=14...(10) Peak 6506 from nnoeabs.peaks (1.73, 8.29, 119.18 ppm; 3.85 A): 1 out of 2 assignments used, quality = 0.98: * HB2 LEU 43 + H LEU 43 OK 98 100 - 98 - 3.9=93, 3.2/6509=28...(8) HG3 ARG 90 - H LEU 43 OK 30 92 - 32 - 1341/2.8=7, 1361/3.9=7...(6) Peak 6507 from nnoeabs.peaks (1.28, 8.29, 119.18 ppm; 4.02 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 43 + H LEU 43 OK 100 100 - 100 - 3.9=100 HG12 ILE 37 - H LEU 43 OK 29 87 - 33 - 1342/2.8=8, 1353/3.9=7...(6) Peak 6508 from nnoeabs.peaks (1.64, 8.29, 119.18 ppm; 3.65 A): 6 out of 8 assignments used, quality = 0.95: * HG LEU 43 + H LEU 43 OK 85 100 - 85 - 4.6=49, 2.1/6509=32...(9) HG LEU 62 + H LEU 43 OK 35 92 - 39 - 2.1/11008=9, 3.0/10940=6...(10) HB2 LEU 123 + H LEU 43 OK 15 81 - 19 - 3.0/3916=5, 4.6/7772=2...(8) HB2 LEU 98 + H LEU 43 OK 15 65 - 23 - 1.8/3175=4, 3.0/3154=3...(8) HD3 LYS 19 + H LEU 43 OK 12 87 - 14 - 1387/4.4=2, 1354/3.9=2...(7) HD2 LYS 19 + H LEU 43 OK 12 87 - 14 - 1387/4.4=2, 1354/3.9=2...(7) HG2 ARG 84 - H LEU 43 lone 5 87 - 5 - HG3 ARG 84 - H LEU 43 lone 5 87 - 5 - Peak 6509 from nnoeabs.peaks (0.70, 8.29, 119.18 ppm; 3.78 A): 1 out of 1 assignment used, quality = 0.87: * QD1 LEU 43 + H LEU 43 OK 87 100 - 87 - 4.5=60, 3.2/6506=20...(11) Peak 6510 from nnoeabs.peaks (0.75, 8.29, 119.18 ppm; 3.71 A): 3 out of 4 assignments used, quality = 0.94: * QD2 LEU 43 + H LEU 43 OK 89 100 - 89 - 4.4=59, 2.1/6509=34...(9) HG12 ILE 129 + H LEU 43 OK 31 92 - 34 - 2.1/6503=9, 1345/2.8=6...(10) QG1 VAL 93 + H LEU 43 OK 27 92 - 29 - 11324/4.6=7, 1345/2.8=6...(8) QD2 LEU 96 - H LEU 43 OK 16 87 - 18 - 3.2/6500=3, 4.0/3062=3...(9) Peak 6511 from nnoeabs.peaks (8.33, 8.29, 119.18 ppm; 3.30 A): 2 out of 3 assignments used, quality = 0.85: * H GLU 44 + H LEU 43 OK 83 100 - 83 - 3.9=59, 6523/4.5=12...(11) H ALA 28 + H LEU 43 OK 16 87 - 18 - 1346/2.8=3, 1357/3.9=3...(8) H LYS 86 - H LEU 43 poor 10 81 - 12 - 1346/2.8=2, 1357/3.9=2...(7) Peak 6513 from nnoeabs.peaks (8.33, 8.33, 119.61 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 44 + H GLU 44 OK 100 100 - 100 Peak 6514 from nnoeabs.peaks (3.84, 8.33, 119.61 ppm; 4.09 A): 3 out of 6 assignments used, quality = 0.73: * HA GLU 40 + H GLU 44 OK 56 100 - 56 - 1245/4.6=18, 4.9/1279=15...(9) HA LEU 62 + H GLU 44 OK 27 96 - 29 - 1349/4.6=7, 6495/3.9=6...(7) HA LEU 123 + H GLU 44 OK 17 87 - 19 - 3916/3.9=4, 3.0/6522=3...(7) HB2 SER 50 - H GLU 44 lone 5 96 - 5 - HB3 SER 33 - H GLU 44 lone 3 57 - 4 - 1.8/6515=2 HD2 PRO 81 - H GLU 44 lone 2 57 - 3 - Peak 6515 from nnoeabs.peaks (3.91, 8.33, 119.61 ppm; 4.02 A): 3 out of 7 assignments used, quality = 0.84: * HA ALA 41 + H GLU 44 OK 79 100 - 79 - 1279=31, 3.6/6492=19...(11) HB2 SER 60 + H GLU 44 OK 14 100 - 14 - 1401/3.9=4, 1409/3.9=4...(5) HB3 SER 60 + H GLU 44 OK 14 100 - 14 - 1401/3.9=4, 1409/3.9=4...(5) HB2 SER 33 - H GLU 44 lone 5 99 - 5 - HA3 GLY 75 - H GLU 44 lone 4 87 - 5 - 6533/3.4=2 HB2 SER 94 - H GLU 44 lone 2 81 - 2 - HA2 GLY 14 - H GLU 44 lone 1 65 - 2 - Peak 6516 from nnoeabs.peaks (7.49, 8.33, 119.61 ppm; 4.97 A): 2 out of 3 assignments used, quality = 0.93: * H LEU 42 + H GLU 44 OK 82 100 - 82 - 6492=39, 3.9/6511=31...(9) H GLN 134 + H GLU 44 OK 59 100 - 59 - 7938/3.6=13, 6498/3.9=11...(11) HE22 GLN 127 - H GLU 44 lone 2 65 - 3 - 6498/3.9=1 Peak 6518 from nnoeabs.peaks (8.29, 8.33, 119.61 ppm; 2.73 A): 2 out of 4 assignments used, quality = 0.67: * H LEU 43 + H GLU 44 OK 61 100 - 61 - 3.9=34, 3.9/6520=7...(10) H GLU 40 + H GLU 44 OK 15 81 - 18 - 2.8/6514=7, 1339/3.6=2...(6) H VAL 126 - H GLU 44 lone 8 98 - 9 - 1339/3.6=2, 6535/3.4=1 H SER 99 - H GLU 44 lone 7 96 - 8 - 6535/3.4=2, 7372/2.8=1 Peak 6519 from nnoeabs.peaks (3.78, 8.33, 119.61 ppm; 4.16 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 43 + H GLU 44 OK 100 100 - 100 - 3.6=100 HA SER 130 - H GLU 44 OK 35 100 - 35 - 6505/3.9=7, 1360/4.6=6...(10) HB3 SER 130 - H GLU 44 OK 24 81 - 30 - 11640/3.9=10...(8) Peak 6520 from nnoeabs.peaks (1.73, 8.33, 119.61 ppm; 4.06 A): 2 out of 2 assignments used, quality = 0.95: * HB2 LEU 43 + H GLU 44 OK 93 100 - 93 - 4.6=70, 1.8/6521=26...(8) HG3 ARG 90 + H GLU 44 OK 30 92 - 32 - 1341/3.6=7, 1361/4.6=6...(10) Peak 6521 from nnoeabs.peaks (1.28, 8.33, 119.61 ppm; 4.42 A): 1 out of 2 assignments used, quality = 0.98: * HB3 LEU 43 + H GLU 44 OK 98 100 - 98 - 4.6=91, 1.8/6520=32...(8) HG12 ILE 37 - H GLU 44 OK 26 87 - 30 - 1342/3.6=9, 1353/4.6=7...(7) Peak 6522 from nnoeabs.peaks (1.64, 8.33, 119.61 ppm; 4.30 A): 5 out of 8 assignments used, quality = 0.91: * HG LEU 43 + H GLU 44 OK 82 100 - 82 - 2.1/6523=33, 2.1/1390=27...(7) HG LEU 62 + H GLU 44 OK 27 92 - 30 - 3.7/6514=7, 6508/3.9=6...(7) HB2 LEU 123 + H GLU 44 OK 17 81 - 22 - ~9163=6, 3.0/6514=5...(6) HD2 LYS 19 + H GLU 44 OK 11 87 - 13 - 1354/4.6=3, 1363/4.6=2...(6) HD3 LYS 19 + H GLU 44 OK 11 87 - 13 - 1354/4.6=3, 1363/4.6=2...(6) HG3 ARG 84 - H GLU 44 lone 7 87 - 7 - 4.6/7098=2, 1343/3.6=1 HG2 ARG 84 - H GLU 44 lone 7 87 - 7 - 4.6/7098=2, 1343/3.6=1 HB2 LEU 98 - H GLU 44 poor 7 65 - 10 - 4.6/6518=2, 6508/3.9=2...(4) Peak 6523 from nnoeabs.peaks (0.70, 8.33, 119.61 ppm; 4.55 A): 1 out of 1 assignment used, quality = 0.87: * QD1 LEU 43 + H GLU 44 OK 87 100 - 87 - 6509/3.9=32, 2.1/1390=30...(12) Peak 6524 from nnoeabs.peaks (0.75, 8.33, 119.61 ppm; 4.28 A): 4 out of 4 assignments used, quality = 0.95: * QD2 LEU 43 + H GLU 44 OK 87 100 - 88 - 1390=35, 2.1/6523=33...(11) HG12 ILE 129 + H GLU 44 OK 30 92 - 32 - 3.2/9753=11, 1345/3.6=6...(8) QG1 VAL 93 + H GLU 44 OK 29 92 - 32 - 11332/3.4=8, 1345/3.6=6...(9) QD2 LEU 96 + H GLU 44 OK 15 87 - 17 - 6510/3.9=3, 1345/3.6=2...(6) Peak 6525 from nnoeabs.peaks (4.05, 8.33, 119.61 ppm; 3.53 A): 1 out of 5 assignments used, quality = 1.00: * HA GLU 44 + H GLU 44 OK 100 100 - 100 - 2.8=100 HA GLU 102 - H GLU 44 OK 29 99 - 29 - 1411/3.9=5, 1403/3.9=5...(11) HA LEU 122 - H GLU 44 OK 11 100 - 11 - 4.9/6514=2, 1411/3.9=2...(4) HA LEU 96 - H GLU 44 poor 9 81 - 11 - 3062/3.9=2, 4.0/6524=2 HA ALA 92 - H GLU 44 lone 8 100 - 8 - 9941/6522=1, 1403/3.9=1 Peak 6526 from nnoeabs.peaks (2.02, 8.33, 119.61 ppm; 3.15 A): 5 out of 9 assignments used, quality = 0.94: * HB2 GLU 44 + H GLU 44 OK 85 100 - 85 - 3.9=51, 1.8/1410=21...(14) HB2 GLN 134 + H GLU 44 OK 36 98 - 37 - 1.8/6528=5, 1393/2.8=5...(15) HG2 PRO 58 + H GLU 44 OK 20 98 - 21 - 1860/3.9=5, 1393/2.8=4...(7) HG2 ARG 90 + H GLU 44 OK 14 100 - 13 - 1.8/6520=5, 2819/4.6=3 HB3 GLU 30 + H GLU 44 OK 10 96 - 11 - 1393/2.8=2, 3.0/6528=2...(4) HG3 ARG 135 - H GLU 44 lone 3 65 - 5 - 6539/3.4=2, ~6544=1 HB3 MET 11 - H GLU 44 lone 2 100 - 2 - HB VAL 63 - H GLU 44 lone 2 99 - 2 - HB3 GLU 91 - H GLU 44 lone 1 65 - 1 - Peak 6527 from nnoeabs.peaks (2.08, 8.33, 119.61 ppm; 3.18 A): 5 out of 6 assignments used, quality = 0.94: * HB3 GLU 44 + H GLU 44 OK 86 100 - 86 - 3.9=52, 1.8/1402=23...(14) HG3 GLN 134 + H GLU 44 OK 31 96 - 33 - 2.9/6526=5, 2.9/6528=4...(14) HB2 GLU 102 + H GLU 44 OK 18 96 - 19 - 3.0/6525=4, 1394/2.8=4...(10) HG3 PRO 58 + H GLU 44 OK 17 87 - 20 - 1.8/6526=4, 1394/2.8=4...(8) HB3 LYS 39 + H GLU 44 OK 11 100 - 11 - 4.7/6518=2, 1170/3.9=2...(6) HB2 GLU 128 - H GLU 44 lone 5 98 - 5 - Peak 6528 from nnoeabs.peaks (2.34, 8.33, 119.61 ppm; 3.83 A): 2 out of 4 assignments used, quality = 0.95: * HG2 GLU 44 + H GLU 44 OK 93 100 - 93 - 4.8=49, 1.8/6529=34...(14) HB3 GLN 134 + H GLU 44 OK 36 73 - 50 - 1.8/6526=10, 1395/2.8=7...(15) HB VAL 77 - H GLU 44 OK 23 98 - 24 - 2.1/9130=8, 1395/2.8=4...(6) HG3 GLU 30 - H GLU 44 OK 14 87 - 16 - 1406/3.9=3, 1395/2.8=3...(6) Peak 6529 from nnoeabs.peaks (2.51, 8.33, 119.61 ppm; 3.65 A): 2 out of 2 assignments used, quality = 0.93: * HG3 GLU 44 + H GLU 44 OK 92 100 - 92 - 4.8=43, 1.8/1417=25...(17) HB2 ASP 78 + H GLU 44 OK 15 99 - 15 - 1396/2.8=4, 1407/3.9=4...(4) Peak 6530 from nnoeabs.peaks (7.69, 8.33, 119.61 ppm; 3.54 A): 1 out of 2 assignments used, quality = 1.00: * H CYS 45 + H GLU 44 OK 100 100 - 100 - 3.4=100 H GLN 101 - H GLU 44 OK 14 65 - 21 - 1397/2.8=4, 1416/3.9=3...(9) Peak 6531 from nnoeabs.peaks (8.54, 8.33, 119.61 ppm; 3.83 A): 1 out of 2 assignments used, quality = 0.54: * H ALA 46 + H GLU 44 OK 54 100 - 54 - 3.1/9132=20, 6551=18...(5) H HIS 5 - H GLU 44 lone 3 87 - 4 - 6546/3.4=2 Peak 6532 from nnoeabs.peaks (7.69, 7.69, 120.85 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H CYS 45 + H CYS 45 OK 100 100 - 100 Peak 6533 from nnoeabs.peaks (3.91, 7.69, 120.85 ppm; 5.50 A): 4 out of 7 assignments used, quality = 0.89: * HA ALA 41 + H CYS 45 OK 77 100 - 77 - 1279/3.4=34, 1409/4.7=22...(8) HA3 GLY 75 + H CYS 45 OK 21 87 - 24 - ~9585=14, 4.9/6545=6...(5) HB3 SER 60 + H CYS 45 OK 21 100 - 21 - 1401/4.7=6, 1409/4.7=5...(4) HB2 SER 60 + H CYS 45 OK 21 100 - 21 - 1401/4.7=6, 1409/4.7=5...(4) HB2 SER 33 - H CYS 45 lone 8 99 - 7 - 6515/3.4=2, 1401/4.7=1 HB2 SER 94 - H CYS 45 lone 3 81 - 3 - HA2 GLY 14 - H CYS 45 lone 2 65 - 2 - Peak 6534 from nnoeabs.peaks (3.48, 7.69, 120.85 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.95: * HA LEU 42 + H CYS 45 OK 95 100 - 95 - 1294=45, 1439/3.5=45...(9) Peak 6535 from nnoeabs.peaks (8.29, 7.69, 120.85 ppm; 3.98 A): 3 out of 4 assignments used, quality = 0.56: * H LEU 43 + H CYS 45 OK 44 100 - 44 - 6518/3.4=24, 3.6/1294=11...(5) H GLU 40 + H CYS 45 OK 12 81 - 15 - ~6514=6, 6518/3.4=6...(4) H SER 99 + H CYS 45 OK 11 96 - 12 - 6518/3.4=3, 7372/3.6=2...(4) H VAL 126 - H CYS 45 lone 8 98 - 8 - 6518/3.4=3, 7788/3.6=2 Peak 6537 from nnoeabs.peaks (8.33, 7.69, 120.85 ppm; 3.65 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 44 + H CYS 45 OK 100 100 - 100 - 3.4=100 H ALA 28 - H CYS 45 OK 13 87 - 15 - 1391/3.6=4, 1410/4.7=3...(7) H LYS 86 - H CYS 45 lone 8 81 - 9 - 1391/3.6=2, 1410/4.7=1...(5) Peak 6538 from nnoeabs.peaks (4.05, 7.69, 120.85 ppm; 4.45 A): 1 out of 5 assignments used, quality = 1.00: * HA GLU 44 + H CYS 45 OK 100 100 - 100 - 3.6=100 HA GLU 102 - H CYS 45 OK 33 99 - 34 - 1411/4.7=7, 6525/3.4=7...(11) HA LEU 122 - H CYS 45 OK 11 100 - 11 - 6525/3.4=3, 1411/4.7=2...(4) HA LEU 96 - H CYS 45 poor 9 81 - 11 - 6525/3.4=2, 1403/4.7=1 HA ALA 92 - H CYS 45 lone 8 100 - 8 - 6525/3.4=2, 1403/4.7=1 Peak 6539 from nnoeabs.peaks (2.02, 7.69, 120.85 ppm; 3.86 A): 2 out of 9 assignments used, quality = 0.95: * HB2 GLU 44 + H CYS 45 OK 92 100 - 92 - 4.7=57, 1.8/1416=28...(13) HB2 GLN 134 + H CYS 45 OK 38 98 - 39 - 6526/3.4=7, ~11738=6...(11) HG3 ARG 135 - H CYS 45 OK 22 65 - 34 - 11688/2.8=9, 3.0/6544=7...(11) HG2 PRO 58 - H CYS 45 OK 21 98 - 21 - 1860/4.7=6, 1393/3.6=5...(7) HG2 ARG 90 - H CYS 45 OK 10 100 - 10 - ~6520=4, 6526/3.4=2, 1393/3.6=1 HB3 GLU 30 - H CYS 45 poor 10 96 - 10 - 1393/3.6=2, 6526/3.4=2...(4) HB VAL 63 - H CYS 45 lone 2 99 - 2 - HB3 MET 11 - H CYS 45 lone 2 100 - 2 - HB3 GLU 91 - H CYS 45 lone 1 65 - 1 - Peak 6540 from nnoeabs.peaks (2.08, 7.69, 120.85 ppm; 3.91 A): 2 out of 6 assignments used, quality = 0.95: * HB3 GLU 44 + H CYS 45 OK 92 100 - 92 - 4.7=60, 1.8/1408=27...(13) HG3 GLN 134 + H CYS 45 OK 33 96 - 34 - ~10603=6, 6527/3.4=6...(10) HB2 GLU 102 - H CYS 45 OK 20 96 - 21 - 3.0/6538=5, 3334/3.6=5...(6) HG3 PRO 58 - H CYS 45 OK 17 87 - 20 - 1394/3.6=5, 1405/4.7=4...(7) HB3 LYS 39 - H CYS 45 OK 11 100 - 11 - 4.7/6535=3, 6527/3.4=2...(4) HB2 GLU 128 - H CYS 45 lone 5 98 - 5 - Peak 6541 from nnoeabs.peaks (2.34, 7.69, 120.85 ppm; 6.07 A): 2 out of 4 assignments used, quality = 1.00: * HG2 GLU 44 + H CYS 45 OK 99 100 - 99 - 1.8/1430=41, 1423=40...(14) HB3 GLN 134 + H CYS 45 OK 51 73 - 70 - ~11738=18, ~10603=13...(12) HB VAL 77 - H CYS 45 OK 36 98 - 37 - ~9130=11, 6528/3.4=7...(7) HG3 GLU 30 - H CYS 45 OK 23 87 - 27 - 1406/4.7=5, 1395/3.6=4...(8) Peak 6543 from nnoeabs.peaks (4.12, 7.69, 120.85 ppm; 3.91 A): 1 out of 4 assignments used, quality = 1.00: * HA CYS 45 + H CYS 45 OK 100 100 - 100 - 2.8=100 HA ILE 80 - H CYS 45 OK 13 98 - 14 - 1441/3.5=3, 1447/3.5=3...(7) HA3 GLY 114 - H CYS 45 lone 8 99 - 7 - 6554/3.2=2, 1441/3.5=2 HA ALA 52 - H CYS 45 lone 1 57 - 3 - Peak 6544 from nnoeabs.peaks (2.94, 7.69, 120.85 ppm; 3.72 A): 1 out of 4 assignments used, quality = 1.00: * HB2 CYS 45 + H CYS 45 OK 100 100 - 100 - 3.5=100 HD2 ARG 135 - H CYS 45 OK 31 96 - 33 - ~11688=9, 1433/2.8=7...(9) HG CYS 73 - H CYS 45 lone 5 87 - 6 - 6555/3.2=1, 1448/3.5=1 HB3 ASN 116 - H CYS 45 lone 1 65 - 2 - Peak 6545 from nnoeabs.peaks (3.13, 7.69, 120.85 ppm; 3.72 A): 1 out of 3 assignments used, quality = 1.00: * HB3 CYS 45 + H CYS 45 OK 100 100 - 100 - 3.5=100 HB3 TYR 76 - H CYS 45 OK 22 100 - 22 - 1434/2.8=5, 1443/3.5=5...(7) HB2 HIS 8 - H CYS 45 lone 5 98 - 5 - 1434/2.8=1, 1443/3.5=1 Peak 6546 from nnoeabs.peaks (8.54, 7.69, 120.85 ppm; 3.75 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 46 + H CYS 45 OK 100 100 - 100 - 3.2=100 H HIS 5 - H CYS 45 lone 8 87 - 8 - 1444/3.5=2, 1435/2.8=2...(4) Peak 6547 from nnoeabs.peaks (8.46, 7.69, 120.85 ppm; 4.73 A): 1 out of 2 assignments used, quality = 0.82: * H ASP 47 + H CYS 45 OK 82 100 - 82 - 6566/3.2=38, 1398/3.6=31...(5) H LEU 70 - H CYS 45 lone 6 73 - 8 - 6559/3.2=4, 1398/3.6=2 Peak 6548 from nnoeabs.peaks (8.54, 8.54, 121.48 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 46 + H ALA 46 OK 100 100 - 100 Peak 6550 from nnoeabs.peaks (3.78, 8.54, 121.48 ppm; 4.67 A): 3 out of 3 assignments used, quality = 0.92: * HA LEU 43 + H ALA 46 OK 74 100 - 74 - 3.6/6531=33, 1348/3.1=33...(6) HA SER 130 + H ALA 46 OK 52 100 - 52 - 1458/3.1=15, ~10508=15...(9) HB3 SER 130 + H ALA 46 OK 36 81 - 45 - ~11641=19, 10508/3.1=18...(6) Peak 6551 from nnoeabs.peaks (8.33, 8.54, 121.48 ppm; 5.06 A): 1 out of 3 assignments used, quality = 0.82: * H GLU 44 + H ALA 46 OK 82 100 - 82 - 6531=47, 9132/3.1=33...(6) H ALA 28 - H ALA 46 lone 8 87 - 10 - 6537/3.2=5, 1346/1347=2 H LYS 86 - H ALA 46 lone 7 81 - 9 - 6537/3.2=3, 2.9/6557=2 Peak 6553 from nnoeabs.peaks (7.69, 8.54, 121.48 ppm; 3.76 A): 1 out of 2 assignments used, quality = 1.00: * H CYS 45 + H ALA 46 OK 100 100 - 100 - 3.2=100 H GLN 101 - H ALA 46 poor 9 65 - 13 - 1431/3.6=2, 1440/4.4=2...(7) Peak 6554 from nnoeabs.peaks (4.12, 8.54, 121.48 ppm; 4.90 A): 1 out of 4 assignments used, quality = 1.00: * HA CYS 45 + H ALA 46 OK 100 100 - 100 - 3.6=100 HA ILE 80 - H ALA 46 OK 18 98 - 18 - 6543/3.2=4, 6565/4.3=4...(5) HA3 GLY 114 - H ALA 46 OK 12 99 - 12 - 6565/4.3=3, 6543/3.2=3...(5) HA ALA 52 - H ALA 46 lone 3 57 - 5 - 6576/6577=2, 6565/4.3=1 Peak 6555 from nnoeabs.peaks (2.94, 8.54, 121.48 ppm; 4.24 A): 2 out of 4 assignments used, quality = 0.95: * HB2 CYS 45 + H ALA 46 OK 93 100 - 93 - 4.4=91, ~9152=9...(4) HD2 ARG 135 + H ALA 46 OK 22 96 - 23 - 1433/3.6=8, 6544/3.2=8...(4) HG CYS 73 - H ALA 46 lone 7 87 - 8 - 11071/11083=3...(4) HB3 ASN 116 - H ALA 46 lone 1 65 - 2 - Peak 6556 from nnoeabs.peaks (3.13, 8.54, 121.48 ppm; 4.61 A): 1 out of 3 assignments used, quality = 1.00: * HB3 CYS 45 + H ALA 46 OK 100 100 - 100 - 4.4=100 HB3 TYR 76 - H ALA 46 OK 29 100 - 29 - 1434/3.6=7, 3.8/6560=7...(7) HB2 HIS 8 - H ALA 46 lone 6 98 - 6 - 1434/3.6=2, 6545/3.2=2 Peak 6557 from nnoeabs.peaks (3.90, 8.54, 121.48 ppm; 4.03 A): 1 out of 7 assignments used, quality = 1.00: * HA ALA 46 + H ALA 46 OK 100 100 - 100 - 2.9=100 HA3 GLY 75 - H ALA 46 OK 11 73 - 15 - 3.5/6560=6, 4.9/6556=3...(4) HB3 SER 50 - H ALA 46 OK 10 81 - 13 - 6567/4.3=4, 1460/3.1=2...(5) HA LYS 86 - H ALA 46 lone 5 73 - 6 - 2.9/6551=2 HA2 GLY 2 - H ALA 46 lone 2 99 - 2 - HA3 GLY 2 - H ALA 46 lone 2 99 - 2 - HB2 SER 94 - H ALA 46 lone 2 81 - 2 - Peak 6558 from nnoeabs.peaks (1.34, 8.54, 121.48 ppm; 3.33 A): 1 out of 2 assignments used, quality = 1.00: * QB ALA 46 + H ALA 46 OK 100 100 - 100 - 3.1=100 QB ALA 21 - H ALA 46 OK 12 100 - 11 - 9152/3.2=3, 1453/2.9=3 Peak 6559 from nnoeabs.peaks (8.46, 8.54, 121.48 ppm; 3.84 A): 1 out of 2 assignments used, quality = 0.89: * H ASP 47 + H ALA 46 OK 89 100 - 89 - 4.3=73, 6568/3.1=27...(9) H LEU 70 - H ALA 46 poor 9 73 - 13 - 1462/3.1=4, 2214/11083=3...(4) Peak 6560 from nnoeabs.peaks (8.04, 8.54, 121.48 ppm; 4.37 A): 3 out of 5 assignments used, quality = 0.82: * H LEU 48 + H ALA 46 OK 69 100 - 69 - 3.6/6566=31, 6577=21...(6) H TYR 76 + H ALA 46 OK 31 99 - 31 - 1436/3.6=6, 9191/3.1=6...(7) H SER 130 + H ALA 46 OK 16 57 - 28 - 2.9/6550=9, 9191/3.1=8...(5) H CYS 79 - H ALA 46 lone 8 99 - 8 - 1436/3.6=2, 6572/4.3=2...(4) H CYS 125 - H ALA 46 lone 8 99 - 8 - 9191/3.1=3, 6572/4.3=2 Peak 6561 from nnoeabs.peaks (8.46, 8.46, 118.99 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASP 47 + H ASP 47 OK 100 100 - 100 Peak 6562 from nnoeabs.peaks (3.78, 8.46, 118.99 ppm; 6.12 A): 3 out of 3 assignments used, quality = 0.89: * HA LEU 43 + H ASP 47 OK 75 100 - 75 - 1348/3.7=41, 4.9/1398=37 HA SER 130 + H ASP 47 OK 39 100 - 40 - 1458/3.7=17, 6550/4.3=13...(5) HB3 SER 130 + H ASP 47 OK 29 81 - 36 - 10508/3.7=25, 6550/4.3=9 Peak 6563 from nnoeabs.peaks (4.05, 8.46, 118.99 ppm; 4.20 A): 2 out of 5 assignments used, quality = 0.86: * HA GLU 44 + H ASP 47 OK 84 100 - 84 - 1398=46, 1400/4.0=27...(7) HA LEU 122 + H ASP 47 OK 12 100 - 12 - 6575/3.6=5, 1471/4.0=3 HA GLU 102 - H ASP 47 lone 10 99 - 10 - 6575/3.6=3, 1471/4.0=2...(4) HA ALA 92 - H ASP 47 lone 6 100 - 6 - 6575/3.6=2, 1471/4.0=1 HA LEU 96 - H ASP 47 lone 5 81 - 6 - 4.0/9181=2 Peak 6564 from nnoeabs.peaks (7.69, 8.46, 118.99 ppm; 5.46 A): 1 out of 2 assignments used, quality = 0.91: * H CYS 45 + H ASP 47 OK 91 100 - 91 - 6547=47, 3.2/6566=44...(5) H GLN 101 - H ASP 47 lone 6 65 - 9 - 6553/4.3=3, 1397/1398=3 Peak 6565 from nnoeabs.peaks (4.12, 8.46, 118.99 ppm; 5.11 A): 3 out of 4 assignments used, quality = 0.86: * HA CYS 45 + H ASP 47 OK 80 100 - 80 - 3.6/6566=39, 2.8/6547=35...(6) HA ILE 80 + H ASP 47 OK 19 98 - 19 - 6576/3.6=9, 6554/4.3=4...(5) HA3 GLY 114 + H ASP 47 OK 13 99 - 13 - 6576/3.6=6, 6554/4.3=3 HA ALA 52 - H ASP 47 poor 7 57 - 12 - 6576/3.6=6, 6592/6594=4 Peak 6566 from nnoeabs.peaks (8.54, 8.46, 118.99 ppm; 3.65 A): 1 out of 2 assignments used, quality = 0.83: * H ALA 46 + H ASP 47 OK 83 100 - 83 - 4.3=62, 3.1/6568=25...(9) H HIS 5 - H ASP 47 lone 5 87 - 5 - 1459/3.7=2, 1451/3.6=1 Peak 6567 from nnoeabs.peaks (3.90, 8.46, 118.99 ppm; 5.13 A): 2 out of 7 assignments used, quality = 1.00: * HA ALA 46 + H ASP 47 OK 100 100 - 100 - 3.6=100 HB3 SER 50 + H ASP 47 OK 46 81 - 57 - ~1469=26, ~1596=17...(7) HA3 GLY 75 - H ASP 47 OK 13 73 - 17 - 3.5/6572=7, 6578/3.6=3...(5) HA3 GLY 2 - H ASP 47 lone 5 99 - 5 - 6578/3.6=1 HA2 GLY 2 - H ASP 47 lone 5 99 - 5 - 6578/3.6=1 HB2 SER 94 - H ASP 47 lone 4 81 - 5 - 6578/3.6=2, 6593/6594=1 HA LYS 86 - H ASP 47 lone 4 73 - 5 - 6557/4.3=1 Peak 6568 from nnoeabs.peaks (1.34, 8.46, 118.99 ppm; 3.53 A): 2 out of 2 assignments used, quality = 0.94: * QB ALA 46 + H ASP 47 OK 93 100 - 93 - 3.7=85, 3.1/6566=24...(10) QB ALA 21 + H ASP 47 OK 12 100 - 12 - 1453/3.6=3, 6558/4.3=2...(6) Peak 6569 from nnoeabs.peaks (4.34, 8.46, 118.99 ppm; 3.92 A): 1 out of 4 assignments used, quality = 1.00: * HA ASP 47 + H ASP 47 OK 100 100 - 100 - 2.9=100 HA PRO 81 - H ASP 47 poor 9 87 - 11 - 6580/3.6=2, 4.9/6565=2...(5) HA ASN 59 - H ASP 47 lone 2 65 - 3 - HA LYS 24 - H ASP 47 lone 1 73 - 2 - Peak 6570 from nnoeabs.peaks (2.72, 8.46, 118.99 ppm; 3.60 A): 1 out of 1 assignment used, quality = 0.90: * HB2 ASP 47 + H ASP 47 OK 90 100 - 90 - 4.0=74, 1.8/6571=38...(5) Peak 6571 from nnoeabs.peaks (2.84, 8.46, 118.99 ppm; 3.45 A): 1 out of 2 assignments used, quality = 0.85: * HB3 ASP 47 + H ASP 47 OK 85 100 - 85 - 4.0=65, 1.8/6570=34...(5) HB2 ASN 116 - H ASP 47 lone 2 73 - 2 - Peak 6572 from nnoeabs.peaks (8.04, 8.46, 118.99 ppm; 3.71 A): 1 out of 5 assignments used, quality = 1.00: * H LEU 48 + H ASP 47 OK 100 100 - 100 - 3.6=100 H TYR 76 - H ASP 47 OK 26 99 - 27 - 1467/2.9=5, 1476/4.0=5...(10) H CYS 125 - H ASP 47 OK 11 99 - 11 - 9191/3.7=2, 1467/2.9=2...(6) H CYS 79 - H ASP 47 lone 8 99 - 8 - 1467/2.9=2, 1476/4.0=1...(4) H SER 130 - H ASP 47 poor 8 57 - 15 - 9191/3.7=5, 2.9/6562=3...(5) Peak 6573 from nnoeabs.peaks (8.30, 8.46, 118.99 ppm; 4.71 A): 3 out of 5 assignments used, quality = 0.84: * H LEU 49 + H ASP 47 OK 73 100 - 73 - 4.0/6579=31, 6594=28...(7) H LEU 69 + H ASP 47 OK 31 96 - 33 - 1455/3.6=8, 6589/3.6=5...(10) H ALA 21 + H ASP 47 OK 15 92 - 16 - 2.9/6568=5, 6589/3.6=5...(4) H GLY 111 - H ASP 47 lone 7 100 - 7 - 6589/3.6=3, 1455/3.6=1 H ALA 110 - H ASP 47 lone 7 99 - 7 - 6589/3.6=4, 1455/3.6=1 Peak 6574 from nnoeabs.peaks (8.04, 8.04, 122.99 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 48 + H LEU 48 OK 100 100 - 100 Peak 6575 from nnoeabs.peaks (4.05, 8.04, 122.99 ppm; 3.95 A): 3 out of 5 assignments used, quality = 0.67: * HA GLU 44 + H LEU 48 OK 56 100 - 56 - 1398/3.6=22, 1400/4.7=20...(4) HA LEU 122 + H LEU 48 OK 18 100 - 18 - 3863=6, 3.6/7755=4...(6) HA GLU 102 + H LEU 48 OK 11 99 - 11 - 3863=2, 6563/3.6=2...(4) HA ALA 92 - H LEU 48 lone 6 100 - 5 - 6563/3.6=1 HA LEU 96 - H LEU 48 lone 2 81 - 3 - Peak 6576 from nnoeabs.peaks (4.12, 8.04, 122.99 ppm; 3.29 A): 4 out of 4 assignments used, quality = 0.70: * HA CYS 45 + H LEU 48 OK 52 100 - 52 - 1494/3.9=10, 3.6/6577=9...(9) HA ILE 80 + H LEU 48 OK 19 98 - 19 - 1503/3.9=4, 3.0/7068=4...(8) HA ALA 52 + H LEU 48 OK 13 57 - 22 - 6592/4.0=5, ~1631=4...(7) HA3 GLY 114 + H LEU 48 OK 12 99 - 12 - 1494/3.9=3, 1503/3.9=3...(5) Peak 6577 from nnoeabs.peaks (8.54, 8.04, 122.99 ppm; 5.68 A): 1 out of 2 assignments used, quality = 0.82: * H ALA 46 + H LEU 48 OK 82 100 - 82 - 6566/3.6=43, 6560=26...(6) H HIS 5 - H LEU 48 lone 6 87 - 6 - 6566/3.6=3, 1435/6576=1 Peak 6578 from nnoeabs.peaks (3.90, 8.04, 122.99 ppm; 5.09 A): 4 out of 7 assignments used, quality = 0.92: * HA ALA 46 + H LEU 48 OK 81 100 - 82 - 3.6/6579=37, 2.9/6577=27...(10) HB3 SER 50 + H LEU 48 OK 42 81 - 52 - 3.9/6590=24, 1602/3.6=14...(6) HA3 GLY 75 + H LEU 48 OK 16 73 - 22 - 4.9/2361=5, 1.8/2356=3...(8) HB2 SER 94 + H LEU 48 OK 11 81 - 13 - 6593/4.0=4, 11339/5.0=2...(6) HA3 GLY 2 - H LEU 48 lone 6 99 - 6 - 6593/4.0=2 HA2 GLY 2 - H LEU 48 lone 6 99 - 6 - 6593/4.0=2 HA LYS 86 - H LEU 48 lone 5 73 - 6 - 9820/9751=2 Peak 6579 from nnoeabs.peaks (8.46, 8.04, 122.99 ppm; 3.58 A): 1 out of 2 assignments used, quality = 0.98: * H ASP 47 + H LEU 48 OK 98 100 - 98 - 3.6=94, 2.9/1467=21...(11) H LEU 70 - H LEU 48 OK 12 73 - 17 - 6594/4.0=3, 3.6/6589=3...(7) Peak 6580 from nnoeabs.peaks (4.34, 8.04, 122.99 ppm; 4.37 A): 1 out of 4 assignments used, quality = 1.00: * HA ASP 47 + H LEU 48 OK 100 100 - 100 - 3.6=100 HA PRO 81 - H LEU 48 OK 13 87 - 14 - 4.9/6576=5, 6569/3.6=3...(6) HA ASN 59 - H LEU 48 lone 4 65 - 5 - 3.6/6590=1 HA LYS 24 - H LEU 48 lone 1 73 - 2 - Peak 6581 from nnoeabs.peaks (2.72, 8.04, 122.99 ppm; 3.78 A): 1 out of 1 assignment used, quality = 0.86: * HB2 ASP 47 + H LEU 48 OK 86 100 - 86 - 4.7=54, 1.8/6582=36...(8) Peak 6582 from nnoeabs.peaks (2.84, 8.04, 122.99 ppm; 3.80 A): 1 out of 2 assignments used, quality = 0.85: * HB3 ASP 47 + H LEU 48 OK 85 100 - 85 - 4.7=55, 1.8/6581=37...(6) HB2 ASN 116 - H LEU 48 lone 2 73 - 2 - Peak 6583 from nnoeabs.peaks (4.11, 8.04, 122.99 ppm; 3.29 A): 2 out of 6 assignments used, quality = 1.00: * HA LEU 48 + H LEU 48 OK 100 100 - 100 - 2.9=100 HA LEU 49 + H LEU 48 OK 52 99 - 52 - 2.9/6596=14, 3.0/9198=10...(13) HA LEU 98 - H LEU 48 OK 35 98 - 36 - 3.0/6584=7, 3150/3.9=6...(12) HA CYS 79 - H LEU 48 OK 26 98 - 27 - 2421=7, 3.6/7068=3...(12) HA GLN 101 - H LEU 48 poor 9 87 - 10 - 4.8/6575=1, 6603/4.0=1 HA ILE 32 - H LEU 48 lone 5 100 - 5 - Peak 6584 from nnoeabs.peaks (1.78, 8.04, 122.99 ppm; 3.41 A): 2 out of 3 assignments used, quality = 0.95: * HB2 LEU 48 + H LEU 48 OK 91 100 - 91 - 3.9=67, 1.8/6585=26...(15) HB3 LEU 98 + H LEU 48 OK 44 96 - 47 - 1485/2.9=10, 1506/3.9=7...(13) HG LEU 100 - H LEU 48 poor 10 96 - 10 - 1485/2.9=3, 1506/3.9=2...(5) Peak 6585 from nnoeabs.peaks (1.89, 8.04, 122.99 ppm; 3.26 A): 3 out of 4 assignments used, quality = 0.91: * HB3 LEU 48 + H LEU 48 OK 87 100 - 87 - 3.9=58, 1.8/6584=21...(17) HB3 LEU 123 + H LEU 48 OK 22 81 - 28 - 3.2/6588=6, 1486/2.9=4...(10) HB2 ARG 135 + H LEU 48 OK 11 73 - 14 - 1486/2.9=3, 1498/3.9=2...(8) HB2 GLU 40 - H LEU 48 lone 6 92 - 6 - 1486/2.9=2, 1498/3.9=1 Peak 6586 from nnoeabs.peaks (1.71, 8.04, 122.99 ppm; 3.50 A): 2 out of 6 assignments used, quality = 0.92: * HG LEU 48 + H LEU 48 OK 85 100 - 85 - 5.0=35, 2.1/6588=22...(12) HG LEU 98 + H LEU 48 OK 48 96 - 50 - 3.0/6584=8, 1487/2.9=8...(14) HG2 ARG 135 - H LEU 48 OK 16 98 - 16 - 1487/2.9=3, 1508/3.9=3...(8) HB2 LEU 70 - H LEU 48 OK 14 99 - 14 - 3.2/6579=3, 1487/2.9=2...(6) HB3 LEU 70 - H LEU 48 OK 14 100 - 14 - 3.2/6579=3, 1487/2.9=2...(6) HD3 LYS 39 - H LEU 48 lone 3 100 - 3 - Peak 6587 from nnoeabs.peaks (0.91, 8.04, 122.99 ppm; 3.39 A): 3 out of 6 assignments used, quality = 0.93: * QD2 LEU 48 + H LEU 48 OK 84 100 - 84 - 5.0=31, 2.1/6588=21...(18) QD1 LEU 49 + H LEU 48 OK 46 96 - 48 - 3.2/9198=11, 4.7/6596=9...(14) QG1 VAL 20 + H LEU 48 OK 18 100 - 18 - 353/4.0=4, 1488/2.9=3...(7) QD1 LEU 62 - H LEU 48 poor 10 92 - 10 - 6608/4.0=2, 1488/2.9=2...(4) QG2 VAL 63 - H LEU 48 lone 9 99 - 9 - 1488/2.9=2, 1500/3.9=1...(4) QG1 VAL 118 - H LEU 48 lone 3 65 - 4 - Peak 6588 from nnoeabs.peaks (0.92, 8.04, 122.99 ppm; 3.39 A): 3 out of 3 assignments used, quality = 0.92: * QD1 LEU 48 + H LEU 48 OK 85 100 - 86 - 4.8=36, 1489/2.9=22...(15) QD1 LEU 123 + H LEU 48 OK 34 96 - 36 - 1489/2.9=7, 1510/3.9=6...(12) QG2 VAL 112 + H LEU 48 OK 13 100 - 12 - 1489/2.9=3, 1510/3.9=2...(4) Peak 6589 from nnoeabs.peaks (8.30, 8.04, 122.99 ppm; 3.54 A): 2 out of 5 assignments used, quality = 0.93: * H LEU 49 + H LEU 48 OK 91 100 - 91 - 4.0=72, 6599/3.9=14...(16) H LEU 69 + H LEU 48 OK 22 96 - 23 - 6573/3.6=4, 1490/2.9=3...(10) H ALA 21 - H LEU 48 OK 20 92 - 22 - 1490/2.9=4, 1502/3.9=3...(8) H ALA 110 - H LEU 48 OK 17 99 - 17 - 11478/4.8=3, 1490/2.9=3...(6) H GLY 111 - H LEU 48 OK 15 100 - 15 - 1490/2.9=3, 1502/3.9=2...(7) Peak 6590 from nnoeabs.peaks (8.66, 8.04, 122.99 ppm; 4.75 A): 2 out of 4 assignments used, quality = 0.90: * H SER 50 + H LEU 48 OK 87 100 - 87 - 6614=29, 6613/3.6=27...(15) H HIS 67 + H LEU 48 OK 17 98 - 17 - 6609/4.0=8, 1468/3.6=3 H SER 60 - H LEU 48 lone 5 81 - 7 - 11184/9751=1, 1468/3.6=1...(4) H HIS 8 - H LEU 48 lone 4 99 - 4 - 6609/4.0=1 Peak 6591 from nnoeabs.peaks (8.30, 8.30, 120.94 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 49 + H LEU 49 OK 100 100 - 100 Peak 6592 from nnoeabs.peaks (4.12, 8.30, 120.94 ppm; 3.65 A): 4 out of 4 assignments used, quality = 0.68: * HA CYS 45 + H LEU 49 OK 41 100 - 41 - 6576/4.0=13, 1437/4.6=10...(8) HA ALA 52 + H LEU 49 OK 31 57 - 53 - ~1545=14, ~1544=10...(11) HA ILE 80 + H LEU 49 OK 12 98 - 13 - 6576/4.0=5, 1503/4.6=4 HA3 GLY 114 + H LEU 49 OK 12 99 - 11 - 6576/4.0=3, 1494/4.6=3...(4) Peak 6593 from nnoeabs.peaks (3.90, 8.30, 120.94 ppm; 4.43 A): 3 out of 7 assignments used, quality = 0.88: * HA ALA 46 + H LEU 49 OK 71 100 - 71 - 3.6/6594=17, 1455=16...(12) HB3 SER 50 + H LEU 49 OK 46 81 - 58 - 6612/3.2=21, 4.7/6610=20...(7) HB2 SER 94 + H LEU 49 OK 19 81 - 24 - 11339/4.7=7, 11340/5.0=5...(7) HA2 GLY 2 - H LEU 49 lone 7 99 - 7 - 6612/3.2=2, ~6612=1 HA3 GLY 2 - H LEU 49 lone 7 99 - 7 - 6612/3.2=2, ~6612=1 HA3 GLY 75 - H LEU 49 lone 6 73 - 8 - 3.5/6596=3, 6578/4.0=2 HA LYS 86 - H LEU 49 lone 3 73 - 4 - 6625/3.2=1 Peak 6594 from nnoeabs.peaks (8.46, 8.30, 120.94 ppm; 5.20 A): 2 out of 2 assignments used, quality = 0.84: * H ASP 47 + H LEU 49 OK 79 100 - 79 - 6579/4.0=36, 6573=27...(8) H LEU 70 + H LEU 49 OK 25 73 - 34 - 3.6/2168=6, 6579/4.0=5...(11) Peak 6596 from nnoeabs.peaks (8.04, 8.30, 120.94 ppm; 3.77 A): 1 out of 5 assignments used, quality = 0.97: * H LEU 48 + H LEU 49 OK 97 100 - 97 - 4.0=87, 3.9/6599=16...(17) H CYS 79 - H LEU 49 OK 24 99 - 24 - 1483/3.6=6, 1504/4.6=3...(8) H CYS 125 - H LEU 49 OK 19 99 - 20 - 6614/3.2=6, 1504/4.6=3...(6) H TYR 76 - H LEU 49 OK 16 99 - 16 - 1483/3.6=3, 1495/4.6=3...(5) H SER 130 - H LEU 49 lone 1 57 - 2 - Peak 6597 from nnoeabs.peaks (4.11, 8.30, 120.94 ppm; 3.65 A): 2 out of 6 assignments used, quality = 1.00: * HA LEU 48 + H LEU 49 OK 100 100 - 100 - 3.6=100 HA LEU 49 + H LEU 49 OK 99 99 - 100 - 2.9=100 HA LEU 98 - H LEU 49 OK 33 98 - 34 - 3.0/6598=7, 3150/4.6=6...(15) HA CYS 79 - H LEU 49 OK 20 98 - 20 - 2.9/6596=4, 2421/4.0=4...(7) HA GLN 101 - H LEU 49 OK 19 87 - 22 - 11401/5.0=5, 1548/3.9=2...(10) HA ILE 32 - H LEU 49 OK 10 100 - 10 - 6615/3.2=2, 6630/6610=1 Peak 6598 from nnoeabs.peaks (1.78, 8.30, 120.94 ppm; 4.08 A): 2 out of 3 assignments used, quality = 0.97: * HB2 LEU 48 + H LEU 49 OK 94 100 - 94 - 4.6=69, 1.8/6599=29...(20) HB3 LEU 98 + H LEU 49 OK 44 96 - 46 - 1485/3.6=11, 6584/4.0=9...(12) HG LEU 100 - H LEU 49 OK 10 96 - 11 - 1485/3.6=3, 1506/4.6=3 Peak 6599 from nnoeabs.peaks (1.89, 8.30, 120.94 ppm; 3.72 A): 2 out of 4 assignments used, quality = 0.91: * HB3 LEU 48 + H LEU 49 OK 88 100 - 88 - 4.6=52, 1.8/6598=20...(21) HB3 LEU 123 + H LEU 49 OK 25 81 - 31 - 3.2/6602=8, 3.0/6606=5...(9) HB2 ARG 135 - H LEU 49 poor 9 73 - 13 - 1486/3.6=3, 1498/4.6=3...(5) HB2 GLU 40 - H LEU 49 lone 7 92 - 7 - 1486/3.6=2, 1498/4.6=1 Peak 6600 from nnoeabs.peaks (1.71, 8.30, 120.94 ppm; 4.54 A): 2 out of 6 assignments used, quality = 0.96: * HG LEU 48 + H LEU 49 OK 91 100 - 91 - 2.1/6602=28, 3.0/6599=27...(17) HG LEU 98 + H LEU 49 OK 52 96 - 55 - 3.0/6598=11, 1487/3.6=10...(15) HB3 LEU 70 - H LEU 49 OK 21 100 - 21 - 3.2/6594=6, 1487/3.6=3...(7) HB2 LEU 70 - H LEU 49 OK 21 99 - 21 - 3.2/6594=6, 1487/3.6=3...(7) HG2 ARG 135 - H LEU 49 OK 19 98 - 19 - 1508/4.6=4, 1487/3.6=4...(6) HD3 LYS 39 - H LEU 49 lone 5 100 - 5 - Peak 6601 from nnoeabs.peaks (0.91, 8.30, 120.94 ppm; 3.64 A): 2 out of 6 assignments used, quality = 0.98: QD1 LEU 49 + H LEU 49 OK 88 96 - 92 - 4.7=47, 3.2/6604=26...(20) * QD2 LEU 48 + H LEU 49 OK 85 100 - 85 - 1527=23, 3.1/6599=18...(20) QG1 VAL 20 - H LEU 49 OK 42 100 - 42 - 353=10, 2.1/347=5...(16) QD1 LEU 62 - H LEU 49 OK 22 92 - 24 - ~10990=4, 1542/2.9=3...(9) QG2 VAL 63 - H LEU 49 OK 14 99 - 14 - 1542/2.9=2, 1488/3.6=2...(8) QG1 VAL 118 - H LEU 49 lone 5 65 - 7 - Peak 6602 from nnoeabs.peaks (0.92, 8.30, 120.94 ppm; 3.64 A): 3 out of 3 assignments used, quality = 0.90: * QD1 LEU 48 + H LEU 49 OK 82 100 - 82 - 1489/3.6=20, 3.1/6599=18...(18) QD1 LEU 123 + H LEU 49 OK 38 96 - 40 - 1489/3.6=7, 2.1/6606=6...(10) QG2 VAL 112 + H LEU 49 OK 13 100 - 12 - 1489/3.6=3, 6588/4.0=2...(4) Peak 6603 from nnoeabs.peaks (4.11, 8.30, 120.94 ppm; 3.65 A): 2 out of 6 assignments used, quality = 1.00: * HA LEU 49 + H LEU 49 OK 100 100 - 100 - 2.9=100 HA LEU 48 + H LEU 49 OK 99 99 - 100 - 3.6=100 HA LEU 98 - H LEU 49 OK 34 100 - 34 - 3.0/6598=7, 3150/4.6=6...(15) HA GLN 101 - H LEU 49 OK 21 96 - 22 - 11401/5.0=6, 1548/3.9=2...(10) HA CYS 79 - H LEU 49 OK 20 100 - 20 - 2.9/6596=4, 2421/4.0=4...(7) HA ILE 32 - H LEU 49 OK 10 99 - 10 - 6615/3.2=2, 6632/6610=1 Peak 6604 from nnoeabs.peaks (1.50, 8.30, 120.94 ppm; 3.76 A): 1 out of 1 assignment used, quality = 0.98: * HB2 LEU 49 + H LEU 49 OK 98 100 - 98 - 3.9=88, 1.8/6605=26...(20) Peak 6605 from nnoeabs.peaks (1.92, 8.30, 120.94 ppm; 3.64 A): 1 out of 5 assignments used, quality = 0.97: * HB3 LEU 49 + H LEU 49 OK 97 100 - 97 - 3.9=80, 1.8/6604=35...(20) HB2 ARG 90 - H LEU 49 OK 14 98 - 14 - 1539/2.9=3, 6619/3.2=3...(6) HB3 LEU 123 - H LEU 49 OK 14 46 - 30 - 3.2/6602=8, 3.0/6606=5...(11) HB2 PRO 113 - H LEU 49 OK 12 87 - 14 - 1539/2.9=3, 1550/3.9=3...(6) HB2 MET 11 - H LEU 49 lone 6 81 - 7 - 1539/2.9=2, 1550/3.9=1 Peak 6606 from nnoeabs.peaks (1.57, 8.30, 120.94 ppm; 4.29 A): 1 out of 4 assignments used, quality = 0.97: * HG LEU 49 + H LEU 49 OK 97 100 - 97 - 5.0=63, 3.0/6604=36...(18) HG LEU 123 - H LEU 49 OK 44 92 - 48 - 2.1/6602=12, 3.0/6599=7...(13) HG2 ARG 23 - H LEU 49 OK 36 98 - 36 - 1566/3.9=8, 1540/2.9=6...(8) HB2 LEU 103 - H LEU 49 OK 14 92 - 15 - 1540/2.9=3, 1551/3.9=3...(6) Peak 6607 from nnoeabs.peaks (0.80, 8.30, 120.94 ppm; 4.17 A): 1 out of 3 assignments used, quality = 0.96: * QD2 LEU 49 + H LEU 49 OK 96 100 - 96 - 5.0=59, 3.2/6604=33...(19) QD1 LEU 53 - H LEU 49 OK 40 98 - 41 - 6621/3.2=10, 1541/2.9=9...(9) QD2 LEU 119 - H LEU 49 OK 21 96 - 21 - 1541/2.9=5, 1552/3.9=4...(6) Peak 6608 from nnoeabs.peaks (0.91, 8.30, 120.94 ppm; 3.64 A): 2 out of 5 assignments used, quality = 0.99: * QD1 LEU 49 + H LEU 49 OK 92 100 - 92 - 4.7=47, 3.2/6604=26...(20) QD2 LEU 48 + H LEU 49 OK 80 96 - 84 - 1527=21, 3.1/6599=18...(20) QG1 VAL 20 - H LEU 49 OK 38 92 - 42 - 353=9, 2.1/347=5...(16) QD1 LEU 62 - H LEU 49 OK 24 100 - 24 - ~10990=4, 1542/2.9=4...(9) QG2 VAL 63 - H LEU 49 OK 14 99 - 14 - 1542/2.9=2, 6622/3.2=2...(7) Peak 6609 from nnoeabs.peaks (8.66, 8.30, 120.94 ppm; 3.90 A): 1 out of 4 assignments used, quality = 1.00: * H SER 50 + H LEU 49 OK 100 100 - 100 - 3.2=100 H HIS 67 - H LEU 49 OK 35 98 - 36 - 9460/5.0=12, 1543/2.9=6...(9) H HIS 8 - H LEU 49 lone 5 99 - 5 - 1543/2.9=2 H SER 60 - H LEU 49 lone 5 81 - 6 - 1587/4.7=2 Peak 6610 from nnoeabs.peaks (7.98, 8.30, 120.94 ppm; 4.11 A): 1 out of 3 assignments used, quality = 0.70: * H SER 51 + H LEU 49 OK 70 100 - 70 - 6631=24, 1491/3.6=23...(9) H SER 38 - H LEU 49 lone 8 99 - 8 - 6626/3.2=4, 1491/3.6=2 H SER 94 - H LEU 49 lone 6 73 - 8 - 3.6/6593=3, 6626/3.2=2 Peak 6611 from nnoeabs.peaks (8.66, 8.66, 113.28 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H SER 50 + H SER 50 OK 100 100 - 100 Peak 6612 from nnoeabs.peaks (3.90, 8.66, 113.28 ppm; 3.45 A): 3 out of 7 assignments used, quality = 0.82: HB3 SER 50 + H SER 50 OK 70 81 - 87 - 3.9=68, 1.8/6624=27...(11) * HA ALA 46 + H SER 50 OK 33 100 - 33 - 6593/3.2=8, 1457/4.6=6...(12) HB2 SER 94 + H SER 50 OK 11 81 - 14 - 6593/3.2=2, 2939/3.1=2...(8) HA2 GLY 2 - H SER 50 lone 5 99 - 5 - HA3 GLY 2 - H SER 50 lone 5 99 - 5 - HA LYS 86 - H SER 50 lone 3 73 - 5 - 9820/11184=1 HA3 GLY 75 - H SER 50 lone 2 73 - 3 - 3.5/6614=1 Peak 6613 from nnoeabs.peaks (4.34, 8.66, 113.28 ppm; 3.85 A): 2 out of 4 assignments used, quality = 0.71: * HA ASP 47 + H SER 50 OK 66 100 - 67 - 1468=26, 1469/3.9=17...(8) HA PRO 81 + H SER 50 OK 14 87 - 17 - 1596/3.9=5, 1602/3.9=5...(4) HA ASN 59 - H SER 50 poor 7 65 - 10 - 6629/3.1=2, 2.9/6721=1...(6) HA LYS 24 - H SER 50 lone 2 73 - 2 - Peak 6614 from nnoeabs.peaks (8.04, 8.66, 113.28 ppm; 4.06 A): 3 out of 5 assignments used, quality = 0.87: * H LEU 48 + H SER 50 OK 78 100 - 78 - 6590=24, 3.6/6613=21...(15) H CYS 125 + H SER 50 OK 30 99 - 30 - 7780/2.9=7...(10) H CYS 79 + H SER 50 OK 16 99 - 16 - 6596/3.2=5, 7063/3.6=3...(5) H TYR 76 - H SER 50 lone 9 99 - 9 - 6596/3.2=3, 1467/6613=2 H SER 130 - H SER 50 lone 2 57 - 3 - Peak 6615 from nnoeabs.peaks (4.11, 8.66, 113.28 ppm; 3.95 A): 2 out of 6 assignments used, quality = 1.00: HA LEU 49 + H SER 50 OK 99 99 - 100 - 3.6=100 * HA LEU 48 + H SER 50 OK 75 100 - 75 - 1491/3.1=24, 2.9/6590=18...(16) HA ILE 32 - H SER 50 OK 16 100 - 16 - ~11918=7, 6630/3.1=5...(4) HA LEU 98 - H SER 50 OK 15 98 - 15 - 6597/3.2=4, ~6598=3...(6) HA GLN 101 - H SER 50 OK 13 87 - 15 - ~11396=5, 6603/3.2=2...(6) HA CYS 79 - H SER 50 OK 13 98 - 13 - 2.9/6614=4, 6597/3.2=2...(4) Peak 6616 from nnoeabs.peaks (8.30, 8.66, 113.28 ppm; 3.65 A): 1 out of 5 assignments used, quality = 1.00: * H LEU 49 + H SER 50 OK 100 100 - 100 - 3.2=100 H LEU 69 - H SER 50 OK 33 96 - 35 - 6915=5, 4.0/6880=5...(11) H ALA 21 - H SER 50 OK 19 92 - 21 - 3.6/6623=4, 1536/3.6=3...(7) H ALA 110 - H SER 50 OK 11 99 - 11 - 1536/3.6=2, 1547/4.6=2 H GLY 111 - H SER 50 OK 11 100 - 11 - 1536/3.6=2, 6631/3.1=2...(4) Peak 6617 from nnoeabs.peaks (4.11, 8.66, 113.28 ppm; 3.95 A): 2 out of 6 assignments used, quality = 1.00: * HA LEU 49 + H SER 50 OK 100 100 - 100 - 3.6=100 HA LEU 48 + H SER 50 OK 74 99 - 75 - 1491/3.1=24, 2.9/6590=18...(16) HA ILE 32 - H SER 50 OK 16 99 - 16 - ~11918=7, 6632/3.1=5...(4) HA GLN 101 - H SER 50 OK 15 96 - 16 - ~11396=5, 11401/6621=2...(6) HA LEU 98 - H SER 50 OK 15 100 - 15 - 6603/3.2=4, ~6598=3...(6) HA CYS 79 - H SER 50 OK 13 100 - 13 - 2.9/6614=4, 6603/3.2=2...(4) Peak 6618 from nnoeabs.peaks (1.50, 8.66, 113.28 ppm; 4.03 A): 1 out of 1 assignment used, quality = 0.96: * HB2 LEU 49 + H SER 50 OK 96 100 - 96 - 4.6=67, 6604/3.2=31...(21) Peak 6619 from nnoeabs.peaks (1.92, 8.66, 113.28 ppm; 3.73 A): 3 out of 5 assignments used, quality = 0.94: * HB3 LEU 49 + H SER 50 OK 92 100 - 92 - 4.6=53, 1.8/6618=33...(21) HB2 ARG 90 + H SER 50 OK 16 98 - 16 - ~11296=5, 1539/3.6=3...(5) HB3 LEU 123 + H SER 50 OK 12 46 - 25 - 3.0/6620=5, ~6602=3...(9) HB2 PRO 113 - H SER 50 poor 10 87 - 11 - 1539/3.6=3, 1550/4.6=3 HB2 MET 11 - H SER 50 lone 4 81 - 5 - 1539/3.6=1, 6605/3.2=1 Peak 6620 from nnoeabs.peaks (1.57, 8.66, 113.28 ppm; 4.64 A): 2 out of 4 assignments used, quality = 0.96: * HG LEU 49 + H SER 50 OK 93 100 - 93 - 3.0/6618=38, 3.0/6619=28...(16) HG LEU 123 + H SER 50 OK 46 92 - 50 - 6606/3.2=8, 1540/3.6=7...(17) HG2 ARG 23 - H SER 50 OK 29 98 - 29 - 1566/4.6=8, 6606/3.2=6...(7) HB2 LEU 103 - H SER 50 OK 12 92 - 13 - 1540/3.6=3, 1551/4.6=3...(4) Peak 6621 from nnoeabs.peaks (0.80, 8.66, 113.28 ppm; 3.98 A): 2 out of 3 assignments used, quality = 0.95: * QD2 LEU 49 + H SER 50 OK 90 100 - 90 - 3.2/6618=28, 3.2/6619=21...(19) QD1 LEU 53 + H SER 50 OK 51 98 - 52 - 2.1/11785=10, 9218/2.9=7...(14) QD2 LEU 119 - H SER 50 OK 18 96 - 18 - 1541/3.6=4, 6607/3.2=4...(5) Peak 6622 from nnoeabs.peaks (0.91, 8.66, 113.28 ppm; 3.54 A): 3 out of 5 assignments used, quality = 0.95: * QD1 LEU 49 + H SER 50 OK 82 100 - 82 - 3.2/6618=22, 3.2/6619=17...(17) QD2 LEU 48 + H SER 50 OK 62 96 - 65 - 1527/3.2=11, 1542/3.6=11...(18) QG1 VAL 20 + H SER 50 OK 28 92 - 30 - 353/3.2=5, 3.2/6623=4...(13) QD1 LEU 62 - H SER 50 OK 25 100 - 25 - 11001/2.9=7, 2.1/10990=4...(9) QG2 VAL 63 - H SER 50 OK 12 99 - 12 - ~11019=3, 9217/2.9=2...(4) Peak 6623 from nnoeabs.peaks (4.00, 8.66, 113.28 ppm; 3.11 A): 1 out of 5 assignments used, quality = 1.00: * HA SER 50 + H SER 50 OK 100 100 - 100 - 2.9=100 HA GLN 68 - H SER 50 OK 22 98 - 23 - 2.9/6880=5, 3.6/6915=3...(10) HA VAL 20 - H SER 50 OK 21 87 - 24 - 341/3.2=3, 3.2/6622=3...(10) HB2 SER 124 - H SER 50 OK 21 100 - 21 - 1588=4, 4.5/6614=3...(9) HB3 SER 99 - H SER 50 lone 2 65 - 3 - Peak 6624 from nnoeabs.peaks (3.84, 8.66, 113.28 ppm; 3.57 A): 2 out of 4 assignments used, quality = 0.91: * HB2 SER 50 + H SER 50 OK 90 100 - 90 - 3.9=75, 1.8/6625=24...(8) HA LEU 62 + H SER 50 OK 11 73 - 15 - 3.9/10990=3...(6) HA LEU 123 - H SER 50 poor 8 57 - 14 - 3.7/6620=4, 3.0/6619=2...(4) HA GLU 40 - H SER 50 lone 4 96 - 4 - 1605/3.9=1 Peak 6625 from nnoeabs.peaks (3.89, 8.66, 113.28 ppm; 3.45 A): 3 out of 7 assignments used, quality = 0.91: * HB3 SER 50 + H SER 50 OK 87 100 - 87 - 3.9=68, 1.8/6624=27...(10) HA ALA 46 + H SER 50 OK 21 81 - 26 - 6593/3.2=5, 1457/4.6=4...(11) HA LEU 70 + H SER 50 OK 10 81 - 13 - 6636/3.1=3, ~6938=3...(6) HA LYS 86 - H SER 50 lone 6 100 - 6 - 9820/11184=2, 6636/3.1=1 HA3 GLY 2 - H SER 50 lone 5 92 - 5 - HA2 GLY 2 - H SER 50 lone 5 92 - 5 - HA2 GLY 114 - H SER 50 lone 4 87 - 4 - ~6592=2 Peak 6626 from nnoeabs.peaks (7.98, 8.66, 113.28 ppm; 3.56 A): 1 out of 3 assignments used, quality = 1.00: * H SER 51 + H SER 50 OK 100 100 - 100 - 3.1=100 H SER 38 - H SER 50 OK 16 99 - 16 - 1601/3.9=5, 1592/2.9=3...(6) H SER 94 - H SER 50 poor 9 73 - 12 - 3.6/6612=2, 6610/3.2=2...(8) Peak 6627 from nnoeabs.peaks (8.03, 8.66, 113.28 ppm; 3.59 A): 1 out of 3 assignments used, quality = 0.77: * H ALA 52 + H SER 50 OK 77 100 - 77 - 6640/3.1=31, 1544/3.6=21...(15) H ALA 16 - H SER 50 lone 6 99 - 6 - 6640/3.1=2, 1544/3.6=1 H SER 130 - H SER 50 lone 3 81 - 4 - 11603/11785=1 Peak 6628 from nnoeabs.peaks (7.98, 7.98, 115.88 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H SER 51 + H SER 51 OK 100 100 - 100 Peak 6629 from nnoeabs.peaks (4.34, 7.98, 115.88 ppm; 5.30 A): 3 out of 4 assignments used, quality = 0.82: * HA ASP 47 + H SER 51 OK 72 100 - 72 - 1468/3.1=33, 1469/4.7=27...(4) HA PRO 81 + H SER 51 OK 28 87 - 33 - 1596/4.7=8, 2.3/9221=8...(5) HA ASN 59 + H SER 51 OK 10 65 - 16 - 6613/3.1=3, ~1888=2...(7) HA LYS 24 - H SER 51 lone 3 73 - 4 - Peak 6630 from nnoeabs.peaks (4.11, 7.98, 115.88 ppm; 4.20 A): 2 out of 6 assignments used, quality = 0.97: * HA LEU 48 + H SER 51 OK 86 100 - 86 - 1491=42, 1492/3.8=23...(10) HA LEU 49 + H SER 51 OK 79 99 - 80 - 1544/3.1=31, 2.9/6610=27...(9) HA ILE 32 - H SER 51 OK 41 100 - 41 - 3.2/11918=17...(7) HA LEU 98 - H SER 51 lone 10 98 - 10 - 6615/3.1=2, 6597/6610=1...(5) HA CYS 79 - H SER 51 lone 8 98 - 8 - 6617/3.1=2, ~6614=2 HA GLN 101 - H SER 51 lone 8 87 - 9 - 6617/3.1=2, ~7408=1 Peak 6631 from nnoeabs.peaks (8.30, 7.98, 115.88 ppm; 4.39 A): 4 out of 5 assignments used, quality = 0.89: * H LEU 49 + H SER 51 OK 81 100 - 81 - 6610=42, 3.6/1491=26...(9) H LEU 69 + H SER 51 OK 25 96 - 26 - 6915/3.1=8, 6918/3.6=6...(8) H ALA 21 + H SER 51 OK 12 92 - 13 - 6616/3.1=4, 3.6/6634=3...(4) H GLY 111 + H SER 51 OK 12 100 - 12 - 3.0/6638=3, 6616/3.1=2...(6) H ALA 110 - H SER 51 lone 6 99 - 6 - 6616/3.1=2, 1490/1491=1 Peak 6632 from nnoeabs.peaks (4.11, 7.98, 115.88 ppm; 4.20 A): 2 out of 6 assignments used, quality = 0.97: HA LEU 48 + H SER 51 OK 85 99 - 86 - 1491=42, 3.6/6610=23...(10) * HA LEU 49 + H SER 51 OK 80 100 - 80 - 1544/3.1=32, 2.9/6610=27...(9) HA ILE 32 - H SER 51 OK 41 99 - 41 - 3.2/11918=17...(7) HA LEU 98 - H SER 51 OK 10 100 - 10 - 6617/3.1=2, 6603/6610=1...(5) HA GLN 101 - H SER 51 lone 9 96 - 9 - 6617/3.1=2, ~7408=1 HA CYS 79 - H SER 51 lone 8 100 - 8 - 6617/3.1=2, ~6614=2 Peak 6633 from nnoeabs.peaks (8.66, 7.98, 115.88 ppm; 4.24 A): 1 out of 4 assignments used, quality = 1.00: * H SER 50 + H SER 51 OK 100 100 - 100 - 3.1=100 H HIS 67 - H SER 51 OK 32 98 - 33 - 6645/3.1=6, 2.9/6637=6...(9) H SER 60 - H SER 51 lone 7 81 - 8 - 3.6/6629=2, 10979/1087=1 H HIS 8 - H SER 51 lone 5 99 - 5 - Peak 6634 from nnoeabs.peaks (4.00, 7.98, 115.88 ppm; 3.18 A): 4 out of 5 assignments used, quality = 0.92: * HA SER 50 + H SER 51 OK 87 100 - 87 - 3.6=71, 3.0/1607=18...(11) HA GLN 68 + H SER 51 OK 14 98 - 14 - 6623/3.1=3, 3.6/6631=3...(5) HB2 SER 124 + H SER 51 OK 12 100 - 12 - 1592=4, 1588/3.1=3...(5) HA VAL 20 + H SER 51 OK 12 87 - 13 - 6646/3.1=3, 6623/3.1=3...(5) HB3 SER 99 - H SER 51 lone 3 65 - 5 - 3.0/6637=1 Peak 6635 from nnoeabs.peaks (3.84, 7.98, 115.88 ppm; 4.00 A): 1 out of 4 assignments used, quality = 0.92: * HB2 SER 50 + H SER 51 OK 92 100 - 92 - 4.7=63, 1.8/1607=36...(10) HA LEU 62 - H SER 51 lone 5 73 - 6 - 6624/3.1=3, 1590/3.6=1 HA GLU 40 - H SER 51 lone 4 96 - 4 - 6624/3.1=1, 1605/4.7=1 HA LEU 123 - H SER 51 lone 4 57 - 7 - 6624/3.1=2, 1590/3.6=2, ~6619=1 Peak 6636 from nnoeabs.peaks (3.89, 7.98, 115.88 ppm; 3.34 A): 2 out of 7 assignments used, quality = 0.75: * HB3 SER 50 + H SER 51 OK 72 100 - 72 - 4.7=37, 1.8/6635=23...(8) HA LEU 70 + H SER 51 OK 11 81 - 13 - 4.0/11918=6, 6625/3.1=2...(5) HA ALA 46 - H SER 51 poor 9 81 - 11 - 6612/3.1=4, 6593/6610=2...(5) HA LYS 86 - H SER 51 lone 4 100 - 4 - 6625/3.1=1 HA3 GLY 2 - H SER 51 lone 3 92 - 3 - HA2 GLY 2 - H SER 51 lone 3 92 - 3 - HA2 GLY 114 - H SER 51 lone 3 87 - 3 - Peak 6637 from nnoeabs.peaks (4.22, 7.98, 115.88 ppm; 3.30 A): 1 out of 6 assignments used, quality = 1.00: * HA SER 51 + H SER 51 OK 100 100 - 100 - 3.0=100 HA HIS 67 - H SER 51 OK 24 100 - 24 - 2092/3.1=5, 2.9/6633=4...(13) HB3 SER 38 - H SER 51 OK 20 87 - 23 - 1.8/1125=5, 1130=5...(8) HA ALA 34 - H SER 51 OK 17 73 - 24 - 2.1/10878=7, 3.0/10867=6...(5) HA SER 99 - H SER 51 lone 9 100 - 9 - 6648/3.1=1 HA GLU 30 - H SER 51 lone 1 65 - 1 - Peak 6638 from nnoeabs.peaks (3.94, 7.98, 115.88 ppm; 2.80 A): 1 out of 4 assignments used, quality = 0.68: * HB2 SER 51 + H SER 51 OK 68 100 - 68 - 3.8=39, 1.8/6639=23...(7) HA3 GLY 111 - H SER 51 lone 5 98 - 5 - 3.0/6631=1, 1610/3.0=1 HD3 PRO 113 - H SER 51 lone 4 92 - 5 - 1610/3.0=1, 6649/3.1=1 HD3 PRO 117 - H SER 51 lone 0 57 - 1 - Peak 6639 from nnoeabs.peaks (3.98, 7.98, 115.88 ppm; 2.90 A): 2 out of 5 assignments used, quality = 0.76: * HB3 SER 51 + H SER 51 OK 73 100 - 73 - 3.8=43, 1.8/6638=30...(6) HA GLU 91 + H SER 51 OK 10 100 - 10 - 4.8/11296=3, 1611/3.0=2...(5) HB3 SER 94 - H SER 51 poor 7 65 - 10 - 6650/3.1=2, 4.4/6641=2...(5) HA VAL 20 - H SER 51 lone 4 65 - 7 - 6650/3.1=1, ~9227=1, 3.6/6631=1 HB3 SER 106 - H SER 51 lone 3 98 - 3 - Peak 6640 from nnoeabs.peaks (8.03, 7.98, 115.88 ppm; 2.64 A): 1 out of 3 assignments used, quality = 0.79: * H ALA 52 + H SER 51 OK 79 100 - 79 - 3.1=60, 6627/3.1=12...(11) H ALA 16 - H SER 51 lone 6 99 - 6 - 1612/3.0=1, 1620/3.8=1 H SER 130 - H SER 51 lone 2 81 - 3 - Peak 6641 from nnoeabs.peaks (7.71, 7.98, 115.88 ppm; 3.55 A): 2 out of 2 assignments used, quality = 0.78: * H LEU 53 + H SER 51 OK 73 100 - 73 - 3.3/6640=30, 6658=26...(11) H LYS 95 + H SER 51 OK 16 65 - 25 - 9219/3.8=5, 6653/3.1=5...(10) Peak 6642 from nnoeabs.peaks (8.03, 8.03, 125.41 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 52 + H ALA 52 OK 100 100 - 100 Peak 6643 from nnoeabs.peaks (4.11, 8.03, 125.41 ppm; 3.30 A): 3 out of 6 assignments used, quality = 0.90: HA LEU 49 + H ALA 52 OK 75 99 - 75 - 1544=35, 1545/2.9=22...(12) * HA LEU 48 + H ALA 52 OK 55 100 - 55 - 1491/3.1=17, 4.9/1544=11...(11) HA ILE 32 + H ALA 52 OK 14 100 - 14 - ~11918=4, 6630/3.1=3...(6) HA LEU 98 - H ALA 52 lone 5 98 - 5 - 1631/2.9=2 HA GLN 101 - H ALA 52 lone 3 87 - 4 - HA CYS 79 - H ALA 52 lone 3 98 - 3 - Peak 6644 from nnoeabs.peaks (4.11, 8.03, 125.41 ppm; 3.30 A): 3 out of 6 assignments used, quality = 0.90: * HA LEU 49 + H ALA 52 OK 75 100 - 76 - 1544=35, 1545/2.9=22...(12) HA LEU 48 + H ALA 52 OK 55 99 - 55 - 1491/3.1=16, 4.9/1544=11...(11) HA ILE 32 + H ALA 52 OK 14 99 - 14 - ~11918=4, 6632/3.1=3...(6) HA LEU 98 - H ALA 52 lone 5 100 - 5 - 1631/2.9=2 HA GLN 101 - H ALA 52 lone 4 96 - 4 - HA CYS 79 - H ALA 52 lone 3 100 - 3 - Peak 6645 from nnoeabs.peaks (8.66, 8.03, 125.41 ppm; 5.15 A): 1 out of 4 assignments used, quality = 0.96: * H SER 50 + H ALA 52 OK 96 100 - 97 - 6627=45, 3.1/6640=45...(15) H HIS 67 - H ALA 52 OK 38 98 - 39 - 6633/3.1=9, 10990/9228=7...(9) H HIS 8 - H ALA 52 lone 5 99 - 5 - 6633/3.1=1, 1543/1544=1 H SER 60 - H ALA 52 lone 4 81 - 5 - 6633/3.1=2 Peak 6646 from nnoeabs.peaks (4.00, 8.03, 125.41 ppm; 4.03 A): 3 out of 5 assignments used, quality = 0.85: * HA SER 50 + H ALA 52 OK 79 100 - 79 - 3.6/6640=33, 2.9/6627=31...(8) HA VAL 20 + H ALA 52 OK 22 87 - 25 - 3.2/9227=8, 6657/3.3=5...(8) HA GLN 68 + H ALA 52 OK 11 98 - 11 - 6634/3.1=4, 4.9/6648=3...(4) HB2 SER 124 - H ALA 52 lone 9 100 - 9 - 6634/3.1=3, 6657/3.3=3 HB3 SER 99 - H ALA 52 lone 5 65 - 8 - 3.0/6648=2, 6657/3.3=1 Peak 6647 from nnoeabs.peaks (7.98, 8.03, 125.41 ppm; 2.66 A): 1 out of 3 assignments used, quality = 0.80: * H SER 51 + H ALA 52 OK 80 100 - 81 - 3.1=61, 3.1/6627=13...(11) H SER 94 - H ALA 52 poor 10 73 - 13 - 9224/2.9=3, 3.4/6653=2...(7) H SER 38 - H ALA 52 lone 8 99 - 8 - 1608/3.6=2, ~1120=1 Peak 6648 from nnoeabs.peaks (4.22, 8.03, 125.41 ppm; 4.10 A): 1 out of 6 assignments used, quality = 1.00: * HA SER 51 + H ALA 52 OK 100 100 - 100 - 3.6=100 HA HIS 67 - H ALA 52 OK 25 100 - 26 - 2.9/6645=6, 6637/3.1=5...(9) HB3 SER 38 - H ALA 52 OK 17 87 - 19 - 1130/3.1=5, ~1125=4...(7) HA ALA 34 - H ALA 52 OK 13 73 - 18 - 10869/3.1=5, ~10867=5, ~10878=5 HA SER 99 - H ALA 52 OK 12 100 - 12 - ~9247=2, 6659/3.3=2...(6) HA GLU 30 - H ALA 52 lone 1 65 - 2 - Peak 6649 from nnoeabs.peaks (3.94, 8.03, 125.41 ppm; 3.73 A): 1 out of 4 assignments used, quality = 0.89: * HB2 SER 51 + H ALA 52 OK 89 100 - 89 - 4.6=53, 1.8/1626=36...(10) HD3 PRO 113 - H ALA 52 lone 9 92 - 9 - 6638/3.1=2, 1610/3.6=2...(4) HA3 GLY 111 - H ALA 52 lone 7 98 - 7 - 6638/3.1=2, 1610/3.6=2 HD3 PRO 117 - H ALA 52 lone 1 57 - 1 - Peak 6650 from nnoeabs.peaks (3.98, 8.03, 125.41 ppm; 3.78 A): 4 out of 5 assignments used, quality = 0.93: * HB3 SER 51 + H ALA 52 OK 89 100 - 89 - 4.6=55, 1.8/1620=36...(10) HB3 SER 94 + H ALA 52 OK 18 65 - 28 - ~11338=11, 4.4/6653=4...(10) HA GLU 91 + H ALA 52 OK 14 100 - 14 - 6639/3.1=4, 1611/3.6=3...(4) HA VAL 20 + H ALA 52 OK 12 65 - 19 - 3.2/9227=7, 3.2/9227=4...(6) HB3 SER 106 - H ALA 52 lone 5 98 - 5 - 6639/3.1=1, 1611/3.6=1 Peak 6651 from nnoeabs.peaks (4.13, 8.03, 125.41 ppm; 3.34 A): 1 out of 4 assignments used, quality = 1.00: * HA ALA 52 + H ALA 52 OK 100 100 - 100 - 2.9=100 HA ILE 80 - H ALA 52 OK 16 81 - 20 - 3.2/10963=8, 1633/2.9=3...(7) HA3 GLY 114 - H ALA 52 lone 6 73 - 9 - ~9243=5, 1633/2.9=1 HA CYS 45 - H ALA 52 lone 2 57 - 3 - 11813/9446=1 Peak 6652 from nnoeabs.peaks (1.48, 8.03, 125.41 ppm; 2.93 A): 1 out of 3 assignments used, quality = 1.00: * QB ALA 52 + H ALA 52 OK 100 100 - 100 - 2.9=100 HG LEU 42 - H ALA 52 OK 13 81 - 16 - 2.1/9105=4, 1629/2.9=3...(8) HG3 LYS 86 - H ALA 52 lone 6 92 - 6 - 1629/2.9=2 Peak 6653 from nnoeabs.peaks (7.71, 8.03, 125.41 ppm; 3.58 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 53 + H ALA 52 OK 100 100 - 100 - 3.3=100 H LYS 95 - H ALA 52 OK 23 65 - 35 - 6641/3.1=5, 1635/2.9=5...(13) Peak 6654 from nnoeabs.peaks (7.55, 8.03, 125.41 ppm; 5.61 A): 2 out of 5 assignments used, quality = 0.94: * H THR 54 + H ALA 52 OK 92 100 - 92 - 6675/3.3=41, 6673=39...(9) H GLN 82 + H ALA 52 OK 23 87 - 27 - 4.1/9234=7, 6669/3.3=6...(6) HE22 GLN 61 - H ALA 52 OK 18 57 - 31 - ~9375=19, 9369/2.9=11 H LEU 119 - H ALA 52 OK 17 81 - 21 - 4.1/9227=7, 6669/3.3=4...(6) H VAL 77 - H ALA 52 poor 9 81 - 11 - 9636/10963=3, 6669/3.3=2...(5) Peak 6655 from nnoeabs.peaks (7.71, 7.71, 113.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 53 + H LEU 53 OK 100 100 - 100 Peak 6656 from nnoeabs.peaks (4.11, 7.71, 113.84 ppm; 4.09 A): 2 out of 6 assignments used, quality = 0.80: * HA LEU 49 + H LEU 53 OK 69 100 - 69 - 1544/3.3=29, 1545/3.7=27...(9) HA LEU 48 + H LEU 53 OK 36 99 - 37 - 6643/3.3=12, 1491/6641=9...(6) HA ILE 32 - H LEU 53 lone 8 99 - 8 - 6643/3.3=3, 1631/3.7=2 HA GLN 101 - H LEU 53 lone 6 96 - 6 - 11401/4.3=2, 11401/6667=1 HA LEU 98 - H LEU 53 lone 6 100 - 5 - 1631/3.7=2, 6644/3.3=1 HA CYS 79 - H LEU 53 lone 3 100 - 3 - Peak 6657 from nnoeabs.peaks (4.00, 7.71, 113.84 ppm; 4.59 A): 4 out of 5 assignments used, quality = 0.89: * HA SER 50 + H LEU 53 OK 79 100 - 79 - 3.6/6641=30, 6646/3.3=22...(11) HA VAL 20 + H LEU 53 OK 27 87 - 31 - 6646/3.3=6, 1653/4.0=4...(10) HB2 SER 124 + H LEU 53 OK 15 100 - 15 - 1594/4.0=3, 1595/4.0=3...(5) HA GLN 68 + H LEU 53 OK 11 98 - 12 - 6646/3.3=3, 4.9/6659=3...(5) HB3 SER 99 - H LEU 53 poor 7 65 - 11 - 3.0/6659=2, 11378/4.3=2...(5) Peak 6658 from nnoeabs.peaks (7.98, 7.71, 113.84 ppm; 4.03 A): 2 out of 3 assignments used, quality = 0.87: * H SER 51 + H LEU 53 OK 84 100 - 84 - 6641=41, 6640/3.3=36...(11) H SER 94 + H LEU 53 OK 16 73 - 22 - 9224/3.7=6, 6647/3.3=4...(9) H SER 38 - H LEU 53 lone 9 99 - 9 - 6647/3.3=3, 3.9/6659=2 Peak 6659 from nnoeabs.peaks (4.22, 7.71, 113.84 ppm; 4.33 A): 2 out of 6 assignments used, quality = 0.85: * HA SER 51 + H LEU 53 OK 82 100 - 82 - 3.0/6641=31, 2.9/9219=19...(10) HA HIS 67 + H LEU 53 OK 15 100 - 16 - 6648/3.3=5, ~6645=3...(5) HA SER 99 - H LEU 53 lone 9 100 - 8 - 6648/3.3=2, 3.0/6657=1 HB3 SER 38 - H LEU 53 lone 8 87 - 10 - 6648/3.3=3, 3.9/6658=2 HA ALA 34 - H LEU 53 lone 4 73 - 6 - 6648/3.3=2, 10869/6641=2 HA GLU 30 - H LEU 53 lone 1 65 - 2 - Peak 6660 from nnoeabs.peaks (8.03, 7.71, 113.84 ppm; 3.55 A): 1 out of 3 assignments used, quality = 1.00: * H ALA 52 + H LEU 53 OK 100 100 - 100 - 3.3=100 H SER 130 - H LEU 53 OK 11 81 - 14 - 10497/4.3=3, 6673/4.6=2...(7) H ALA 16 - H LEU 53 lone 9 99 - 9 - 1627/3.6=2, 1632/3.7=1 Peak 6661 from nnoeabs.peaks (4.13, 7.71, 113.84 ppm; 3.82 A): 1 out of 4 assignments used, quality = 1.00: * HA ALA 52 + H LEU 53 OK 100 100 - 100 - 3.6=100 HA ILE 80 - H LEU 53 OK 13 81 - 17 - ~10963=5, 6674/4.6=4...(4) HA3 GLY 114 - H LEU 53 lone 4 73 - 5 - 6651/3.3=2, 1633/3.7=2 HA CYS 45 - H LEU 53 lone 2 57 - 4 - 11813/9250=2 Peak 6662 from nnoeabs.peaks (1.48, 7.71, 113.84 ppm; 3.43 A): 1 out of 3 assignments used, quality = 0.88: * QB ALA 52 + H LEU 53 OK 88 100 - 88 - 3.7=79, 6652/3.3=24...(7) HG LEU 42 - H LEU 53 poor 10 81 - 12 - ~9105=4, 6652/3.3=3...(4) HG3 LYS 86 - H LEU 53 lone 4 92 - 4 - 1629/3.6=2, 6652/3.3=2 Peak 6663 from nnoeabs.peaks (4.18, 7.71, 113.84 ppm; 3.70 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 53 + H LEU 53 OK 100 100 - 100 - 3.0=100 HB THR 83 - H LEU 53 OK 11 57 - 20 - 1646/4.0=3, 1655/4.0=3...(8) Peak 6664 from nnoeabs.peaks (1.52, 7.71, 113.84 ppm; 3.53 A): 2 out of 2 assignments used, quality = 0.92: * HB2 LEU 53 + H LEU 53 OK 90 100 - 90 - 4.0=66, 1.8/6665=19...(14) HG LEU 69 + H LEU 53 OK 23 81 - 29 - 1638/3.0=7, 1656/4.0=6...(7) Peak 6665 from nnoeabs.peaks (1.99, 7.71, 113.84 ppm; 3.51 A): 2 out of 7 assignments used, quality = 0.94: * HB3 LEU 53 + H LEU 53 OK 91 100 - 91 - 4.0=65, 1.8/6664=28...(13) HG2 PRO 81 + H LEU 53 OK 34 92 - 37 - ~11900=8, 11914/4.6=6...(11) HB VAL 20 - H LEU 53 OK 15 73 - 20 - 3.0/6657=4, ~9227=3...(9) HB ILE 129 - H LEU 53 OK 11 65 - 16 - 9238/3.6=2, ~10963=2...(8) HB2 GLU 55 - H LEU 53 lone 9 98 - 10 - 6678/4.6=2, 1639/3.0=2...(5) HB2 GLU 91 - H LEU 53 lone 9 100 - 9 - 1639/3.0=2, 1648/4.0=1...(4) HB3 PRO 56 - H LEU 53 lone 2 81 - 2 - Peak 6666 from nnoeabs.peaks (1.94, 7.71, 113.84 ppm; 3.53 A): 5 out of 5 assignments used, quality = 0.94: * HG LEU 53 + H LEU 53 OK 81 100 - 81 - 5.3=29, 3.0/6664=22...(12) HB2 LYS 95 + H LEU 53 OK 34 100 - 34 - 1640/3.0=4, 1674/4.3=4...(13) HB3 LYS 95 + H LEU 53 OK 32 96 - 34 - 1640/3.0=4, 1674/4.3=3...(13) HB3 PRO 81 + H LEU 53 OK 23 65 - 35 - ~11900=10, 2.3/6665=6...(12) HG2 PRO 113 + H LEU 53 OK 15 96 - 16 - 1682/4.3=3, 1674/4.3=3...(6) Peak 6667 from nnoeabs.peaks (0.79, 7.71, 113.84 ppm; 3.67 A): 2 out of 4 assignments used, quality = 0.95: * QD1 LEU 53 + H LEU 53 OK 91 100 - 91 - 4.3=61, 3.1/6664=22...(13) QD2 LEU 49 + H LEU 53 OK 44 98 - 45 - 3.9/6656=11...(10) QD2 LEU 119 - H LEU 53 OK 12 81 - 15 - 6680/4.6=3, 1641/3.0=2...(7) QD2 LEU 122 - H LEU 53 lone 6 81 - 8 - 1641/3.0=1, 1659/4.0=1...(4) Peak 6668 from nnoeabs.peaks (0.97, 7.71, 113.84 ppm; 3.63 A): 2 out of 4 assignments used, quality = 0.95: * QD2 LEU 53 + H LEU 53 OK 90 100 - 90 - 4.3=59, 1679/3.0=24...(10) QG2 VAL 126 + H LEU 53 OK 48 98 - 49 - 11614/4.3=14, ~11602=11...(9) QG1 VAL 112 - H LEU 53 OK 20 100 - 20 - 2.1/11726=4, 1642/3.0=4...(8) QG1 VAL 105 - H LEU 53 lone 2 81 - 3 - Peak 6669 from nnoeabs.peaks (7.55, 7.71, 113.84 ppm; 3.79 A): 3 out of 5 assignments used, quality = 0.88: * H THR 54 + H LEU 53 OK 84 100 - 84 - 4.6=55, 4.6/6664=16...(10) H GLN 82 + H LEU 53 OK 17 87 - 20 - 1643/3.0=4, 11886/4.0=3...(8) H LEU 119 + H LEU 53 OK 11 81 - 13 - 1643/3.0=2, 1677/4.3=2...(8) H VAL 77 - H LEU 53 lone 6 81 - 7 - 1685/4.3=1, 1643/3.0=1 HE22 GLN 61 - H LEU 53 lone 4 57 - 7 - 9369/3.7=4, 6654/3.3=2 Peak 6670 from nnoeabs.peaks (7.55, 7.55, 107.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H THR 54 + H THR 54 OK 100 100 - 100 Peak 6672 from nnoeabs.peaks (4.22, 7.55, 107.70 ppm; 4.48 A): 2 out of 6 assignments used, quality = 0.63: * HA SER 51 + H THR 54 OK 57 100 - 57 - 3.6/6673=20, 6659/4.6=16...(5) HA HIS 67 + H THR 54 OK 13 100 - 13 - 1691/4.0=8, 6659/4.6=3 HA SER 99 - H THR 54 lone 5 100 - 5 - 1691/4.0=2, 6659/4.6=2 HB3 SER 38 - H THR 54 lone 4 87 - 4 - 6659/4.6=2, 1691/4.0=1 HA ALA 34 - H THR 54 lone 2 73 - 3 - HA GLU 30 - H THR 54 lone 2 65 - 3 - Peak 6673 from nnoeabs.peaks (8.03, 7.55, 107.70 ppm; 4.94 A): 2 out of 3 assignments used, quality = 0.88: * H ALA 52 + H THR 54 OK 86 100 - 86 - 3.3/6675=37, 2.9/6674=28...(9) H SER 130 + H THR 54 OK 15 81 - 18 - 10497/4.6=6, 6660/4.6=3...(6) H ALA 16 - H THR 54 lone 9 99 - 9 - 6660/4.6=3, 10668/9742=2...(4) Peak 6674 from nnoeabs.peaks (4.13, 7.55, 107.70 ppm; 4.22 A): 2 out of 4 assignments used, quality = 0.69: * HA ALA 52 + H THR 54 OK 61 100 - 61 - 3.6/6675=29, 2.9/6673=19...(6) HA ILE 80 + H THR 54 OK 22 81 - 27 - 3.2/9742=10, 3.8/11189=6...(6) HA3 GLY 114 - H THR 54 lone 2 73 - 3 - HA CYS 45 - H THR 54 lone 1 57 - 2 - Peak 6675 from nnoeabs.peaks (7.71, 7.55, 107.70 ppm; 3.17 A): 2 out of 2 assignments used, quality = 0.70: * H LEU 53 + H THR 54 OK 65 100 - 66 - 4.6=32, 3.6/6674=10...(10) H LYS 95 + H THR 54 OK 14 65 - 21 - 1636/3.6=4, 1670/4.6=4...(7) Peak 6676 from nnoeabs.peaks (4.18, 7.55, 107.70 ppm; 4.03 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 53 + H THR 54 OK 100 100 - 100 - 3.6=100 HB THR 83 - H THR 54 OK 13 57 - 23 - 2.1/6684=5, 1671/4.6=3...(7) Peak 6677 from nnoeabs.peaks (1.52, 7.55, 107.70 ppm; 4.45 A): 1 out of 2 assignments used, quality = 0.96: * HB2 LEU 53 + H THR 54 OK 96 100 - 96 - 4.6=89, 4.0/6675=28...(6) HG LEU 69 - H THR 54 OK 26 81 - 33 - 1638/3.6=9, 1656/4.6=8...(6) Peak 6678 from nnoeabs.peaks (1.99, 7.55, 107.70 ppm; 4.06 A): 3 out of 7 assignments used, quality = 0.95: * HB3 LEU 53 + H THR 54 OK 87 100 - 87 - 4.6=68, 1.8/6677=26...(7) HG2 PRO 81 + H THR 54 OK 48 92 - 52 - 11914=14, 2.3/11904=7...(12) HB2 GLU 55 + H THR 54 OK 29 98 - 30 - 3.8/6685=22, 1639/3.6=2...(6) HB2 GLU 91 - H THR 54 OK 11 100 - 11 - 6692/4.6=3, 1639/3.6=2...(6) HB ILE 129 - H THR 54 poor 9 65 - 13 - 4.6/6673=2, 1681/4.6=2...(6) HB VAL 20 - H THR 54 poor 9 73 - 12 - 1639/3.6=2, 6665/4.6=2...(6) HB3 PRO 56 - H THR 54 lone 2 81 - 3 - Peak 6679 from nnoeabs.peaks (1.94, 7.55, 107.70 ppm; 4.64 A): 5 out of 5 assignments used, quality = 0.96: * HG LEU 53 + H THR 54 OK 72 100 - 72 - 3.0/6677=27, 2.1/6681=22...(11) HG2 PRO 113 + H THR 54 OK 42 96 - 44 - ~9269=10, 11509/3.0=6...(12) HB3 PRO 81 + H THR 54 OK 37 65 - 57 - 2.3/11914=16...(15) HB2 LYS 95 + H THR 54 OK 36 100 - 36 - 4.0/6675=6, 1640/3.6=6...(9) HB3 LYS 95 + H THR 54 OK 34 96 - 35 - 4.0/6675=6, 1640/3.6=6...(9) Peak 6680 from nnoeabs.peaks (0.79, 7.55, 107.70 ppm; 4.95 A): 1 out of 4 assignments used, quality = 1.00: * QD1 LEU 53 + H THR 54 OK 100 100 - 100 - 4.6=100 QD2 LEU 119 - H THR 54 OK 39 81 - 48 - ~11774=12, 2.1/3797=6...(14) QD2 LEU 49 - H THR 54 OK 38 98 - 39 - 1641/3.6=10, 6667/4.6=9...(7) QD2 LEU 122 - H THR 54 poor 9 81 - 11 - 1641/3.6=2, 1659/4.6=2...(5) Peak 6681 from nnoeabs.peaks (0.97, 7.55, 107.70 ppm; 4.38 A): 1 out of 4 assignments used, quality = 0.96: * QD2 LEU 53 + H THR 54 OK 96 100 - 96 - 4.6=85, 1679/3.6=29...(6) QG2 VAL 126 - H THR 54 OK 44 98 - 45 - 11614/4.6=19...(7) QG1 VAL 112 - H THR 54 OK 29 100 - 29 - 3562/3.0=5, 3.2/6682=4...(9) QG1 VAL 105 - H THR 54 lone 3 81 - 3 - Peak 6682 from nnoeabs.peaks (4.42, 7.55, 107.70 ppm; 3.67 A): 1 out of 5 assignments used, quality = 1.00: * HA THR 54 + H THR 54 OK 100 100 - 100 - 3.0=100 HA VAL 112 - H THR 54 OK 16 99 - 16 - 3.2/6681=4, 3550/4.6=3...(9) HA ASN 120 - H THR 54 OK 14 100 - 14 - 2.9/7662=3, ~7669=2...(7) HA MET 11 - H THR 54 lone 6 100 - 6 - 6688/4.6=1 HA ASP 71 - H THR 54 lone 1 73 - 1 - Peak 6683 from nnoeabs.peaks (4.46, 7.55, 107.70 ppm; 3.90 A): 1 out of 4 assignments used, quality = 0.99: * HB THR 54 + H THR 54 OK 99 100 - 99 - 4.0=95, 1688/3.0=37...(7) HA ASP 64 - H THR 54 lone 4 92 - 4 - HA SER 106 - H THR 54 lone 3 92 - 3 - HA PRO 58 - H THR 54 lone 1 65 - 2 - Peak 6684 from nnoeabs.peaks (1.24, 7.55, 107.70 ppm; 3.38 A): 2 out of 2 assignments used, quality = 0.90: * QG2 THR 54 + H THR 54 OK 89 100 - 89 - 4.0=61, 1689/3.0=26...(8) QG2 THR 83 + H THR 54 OK 13 100 - 13 - 2.1/6676=3, 1689/3.0=3...(6) Peak 6685 from nnoeabs.peaks (7.75, 7.55, 107.70 ppm; 3.08 A): 2 out of 3 assignments used, quality = 0.62: * H GLU 55 + H THR 54 OK 52 100 - 52 - 6687=34, 4.2/6684=13...(5) H VAL 118 + H THR 54 OK 21 98 - 21 - 1690/3.0=4, 7643=4...(9) HE22 GLN 68 - H THR 54 lone 1 73 - 2 - Peak 6686 from nnoeabs.peaks (7.75, 7.75, 122.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 55 + H GLU 55 OK 100 100 - 100 Peak 6687 from nnoeabs.peaks (7.55, 7.75, 122.78 ppm; 3.08 A): 2 out of 5 assignments used, quality = 0.63: * H THR 54 + H GLU 55 OK 53 100 - 53 - 6685=35, 6684/4.2=13...(5) H LEU 119 + H GLU 55 OK 21 81 - 27 - 7646=5, 1686/3.6=3...(11) H VAL 77 - H GLU 55 lone 2 81 - 2 - H GLN 82 - H GLU 55 lone 2 87 - 2 - HE22 GLN 61 - H GLU 55 lone 0 57 - 1 - Peak 6688 from nnoeabs.peaks (4.42, 7.75, 122.78 ppm; 3.73 A): 1 out of 5 assignments used, quality = 1.00: * HA THR 54 + H GLU 55 OK 100 100 - 100 - 3.6=100 HA ASN 120 - H GLU 55 OK 12 100 - 12 - 2.9/7660=5, 6682/4.6=2...(6) HA MET 11 - H GLU 55 OK 11 100 - 11 - 4.0/6694=4, 130/4.9=2 HA VAL 112 - H GLU 55 lone 9 99 - 9 - 3.2/9279=3, 6682/4.6=2...(4) HA ASP 71 - H GLU 55 lone 1 73 - 1 - Peak 6689 from nnoeabs.peaks (4.46, 7.75, 122.78 ppm; 4.11 A): 1 out of 4 assignments used, quality = 0.90: * HB THR 54 + H GLU 55 OK 90 100 - 90 - 4.6=72, 1688/3.6=34...(4) HA SER 106 - H GLU 55 lone 3 92 - 3 - HA ASP 64 - H GLU 55 lone 3 92 - 3 - HA PRO 58 - H GLU 55 lone 1 65 - 2 - Peak 6690 from nnoeabs.peaks (1.24, 7.75, 122.78 ppm; 4.08 A): 1 out of 2 assignments used, quality = 0.96: * QG2 THR 54 + H GLU 55 OK 96 100 - 96 - 4.2=89, 2.1/6689=32...(7) QG2 THR 83 - H GLU 55 OK 11 100 - 11 - 1689/3.6=3, 6684/4.6=3...(4) Peak 6691 from nnoeabs.peaks (4.76, 7.75, 122.78 ppm; 3.54 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 55 + H GLU 55 OK 100 100 - 100 - 3.0=100 Peak 6692 from nnoeabs.peaks (1.99, 7.75, 122.78 ppm; 3.35 A): 3 out of 4 assignments used, quality = 0.91: * HB2 GLU 55 + H GLU 55 OK 88 100 - 88 - 3.8=69, 1.8/6693=21...(9) HB3 LEU 53 + H GLU 55 OK 16 98 - 16 - 4.6/6685=11, 1704/3.0=2...(5) HB2 GLU 91 + H GLU 55 OK 14 96 - 15 - 1716/3.8=4, 1704/3.0=3...(5) HG2 PRO 81 - H GLU 55 lone 5 73 - 7 - 11914/4.6=3 Peak 6693 from nnoeabs.peaks (2.04, 7.75, 122.78 ppm; 3.47 A): 1 out of 6 assignments used, quality = 0.92: * HB3 GLU 55 + H GLU 55 OK 92 100 - 92 - 3.8=77, 1.8/6692=27...(9) HB3 GLU 40 - H GLU 55 OK 16 87 - 19 - 3.0/6695=5, 1711/3.8=4...(6) HG3 PRO 117 - H GLU 55 OK 15 65 - 23 - 2.3/3710=5, 2.3/3702=4...(7) QE MET 11 - H GLU 55 OK 13 100 - 13 - 3.3/6694=4, ~1706=2...(7) HB3 GLU 91 - H GLU 55 poor 9 65 - 13 - 1.8/6692=4, 1711/3.8=3...(5) HG3 ARG 135 - H GLU 55 lone 2 65 - 2 - Peak 6694 from nnoeabs.peaks (2.47, 7.75, 122.78 ppm; 3.83 A): 2 out of 3 assignments used, quality = 0.91: * HG2 GLU 55 + H GLU 55 OK 89 100 - 89 - 4.9=46, 1721/3.0=30...(9) HG2 MET 11 + H GLU 55 OK 21 100 - 21 - 1712/3.8=5, 1718/3.8=4...(8) HG3 GLN 104 - H GLU 55 lone 6 81 - 7 - 1712/3.8=2, 1718/3.8=2 Peak 6695 from nnoeabs.peaks (2.40, 7.75, 122.78 ppm; 3.87 A): 2 out of 2 assignments used, quality = 0.91: * HG3 GLU 55 + H GLU 55 OK 88 100 - 88 - 4.9=48, 1727/3.0=31...(6) HG3 GLU 40 + H GLU 55 OK 25 98 - 25 - 1719/3.8=8, 1713/3.8=7...(6) Peak 6696 from nnoeabs.peaks (8.01, 8.01, 121.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 57 + H VAL 57 OK 100 100 - 100 Peak 6697 from nnoeabs.peaks (4.67, 8.01, 121.40 ppm; 3.46 A): 1 out of 2 assignments used, quality = 0.94: * HA PRO 56 + H VAL 57 OK 94 100 - 94 - 3.6=91, 2.3/6699=11...(7) HA ASN 13 - H VAL 57 lone 3 87 - 3 - 1768/3.9=1, 1760/3.9=1 Peak 6698 from nnoeabs.peaks (2.13, 8.01, 121.40 ppm; 4.32 A): 1 out of 2 assignments used, quality = 1.00: * HB2 PRO 56 + H VAL 57 OK 100 100 - 100 - 3.9=100 HB2 GLU 97 - H VAL 57 OK 22 99 - 22 - 1769/3.9=8, 1753/3.6=5...(6) Peak 6699 from nnoeabs.peaks (2.00, 8.01, 121.40 ppm; 3.78 A): 2 out of 9 assignments used, quality = 0.97: * HB3 PRO 56 + H VAL 57 OK 95 100 - 95 - 3.9=88, 2.3/6697=36...(8) HG2 PRO 56 + H VAL 57 OK 43 81 - 53 - 3.8/6697=24, 2.3/6703=12...(7) HG3 PRO 56 - H VAL 57 OK 43 81 - 53 - 3.8/6697=24, 2.3/6703=12...(7) HB ILE 129 - H VAL 57 OK 43 99 - 43 - 4128=12, 2.1/4136=8...(11) HG2 PRO 81 - H VAL 57 lone 5 99 - 5 - HB2 GLU 91 - H VAL 57 lone 3 87 - 3 - HB3 PRO 117 - H VAL 57 lone 2 73 - 3 - HB3 LEU 53 - H VAL 57 lone 2 81 - 2 - HB VAL 20 - H VAL 57 lone 2 100 - 2 - Peak 6700 from nnoeabs.peaks (2.01, 8.01, 121.40 ppm; 3.78 A): 3 out of 7 assignments used, quality = 0.95: HB3 PRO 56 + H VAL 57 OK 77 81 - 95 - 3.9=88, 2.3/6697=36...(8) HG3 PRO 56 + H VAL 57 OK 54 100 - 54 - 3.8/6697=24, 2.3/6703=12...(7) * HG2 PRO 56 + H VAL 57 OK 54 100 - 54 - 3.8/6697=24, 2.3/6703=12...(7) HB ILE 129 - H VAL 57 OK 38 92 - 41 - 4128=10, 2.1/4136=8...(10) HB3 PRO 117 - H VAL 57 lone 4 100 - 4 - 3710/9261=1 HG2 PRO 81 - H VAL 57 lone 3 65 - 4 - HB VAL 20 - H VAL 57 lone 1 87 - 2 - Peak 6701 from nnoeabs.peaks (2.01, 8.01, 121.40 ppm; 3.78 A): 3 out of 7 assignments used, quality = 0.95: HB3 PRO 56 + H VAL 57 OK 77 81 - 95 - 3.9=88, 2.3/6697=36...(8) * HG3 PRO 56 + H VAL 57 OK 54 100 - 54 - 3.8/6697=24, 2.3/6703=12...(7) HG2 PRO 56 + H VAL 57 OK 54 100 - 54 - 3.8/6697=24, 2.3/6703=12...(7) HB ILE 129 - H VAL 57 OK 38 92 - 41 - 4128=10, 2.1/4136=8...(10) HB3 PRO 117 - H VAL 57 lone 4 100 - 4 - 3710/9261=1 HG2 PRO 81 - H VAL 57 lone 3 65 - 4 - HB VAL 20 - H VAL 57 lone 1 87 - 2 - Peak 6702 from nnoeabs.peaks (3.66, 8.01, 121.40 ppm; 5.00 A): 2 out of 2 assignments used, quality = 0.86: * HD2 PRO 56 + H VAL 57 OK 71 100 - 71 - 3.6/6697=40, 3.0/6699=17...(6) HD3 PRO 56 + H VAL 57 OK 52 73 - 71 - 3.6/6697=40, 3.0/6699=17...(6) Peak 6703 from nnoeabs.peaks (3.65, 8.01, 121.40 ppm; 5.00 A): 2 out of 2 assignments used, quality = 0.86: * HD3 PRO 56 + H VAL 57 OK 71 100 - 71 - 3.6/6697=40, 3.0/6699=17...(7) HD2 PRO 56 + H VAL 57 OK 52 73 - 71 - 3.6/6697=40, 3.0/6699=17...(6) Peak 6704 from nnoeabs.peaks (4.59, 8.01, 121.40 ppm; 4.24 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 57 + H VAL 57 OK 100 100 - 100 - 3.0=100 HA GLN 82 - H VAL 57 OK 32 81 - 40 - 1798/4.0=7, 1808/4.1=7...(9) Peak 6705 from nnoeabs.peaks (2.09, 8.01, 121.40 ppm; 3.76 A): 1 out of 6 assignments used, quality = 0.94: * HB VAL 57 + H VAL 57 OK 94 100 - 94 - 4.0=84, 2.1/1802=35...(6) HB3 GLN 82 - H VAL 57 OK 25 99 - 25 - 11213/3.0=6, 3.0/6704=6...(7) HB2 GLU 128 - H VAL 57 OK 21 65 - 32 - 1.8/4102=6, 3.6/7855=6...(8) HB2 GLN 61 - H VAL 57 OK 10 73 - 14 - 1809/4.1=5, 1794/3.0=5 HB2 GLU 102 - H VAL 57 lone 2 73 - 3 - HG3 GLN 134 - H VAL 57 lone 2 73 - 2 - Peak 6706 from nnoeabs.peaks (0.86, 8.01, 121.40 ppm; 3.19 A): 1 out of 5 assignments used, quality = 0.69: * QG2 VAL 57 + H VAL 57 OK 69 100 - 69 - 4.1=46, 2.1/6707=20...(5) QD1 LEU 98 - H VAL 57 lone 7 100 - 7 - 1795/3.0=3, 1800/4.0=2 QD2 LEU 70 - H VAL 57 lone 6 87 - 7 - 11109/3.9=2, 11114/10968=1 QD2 LEU 69 - H VAL 57 lone 5 81 - 6 - 1795/3.0=1, 1800/4.0=1 QG2 ILE 32 - H VAL 57 lone 1 73 - 1 - Peak 6707 from nnoeabs.peaks (0.95, 8.01, 121.40 ppm; 3.56 A): 2 out of 3 assignments used, quality = 0.86: * QG1 VAL 57 + H VAL 57 OK 82 100 - 82 - 4.1=66, 2.1/1802=32, 2.1/6705=19 QD1 LEU 119 + H VAL 57 OK 25 81 - 31 - 3.0/10969=16, 1796/3.0=5...(6) QG1 VAL 126 - H VAL 57 lone 6 73 - 8 - 3.2/4006=3, 4.3/7820=3 Peak 6708 from nnoeabs.peaks (8.89, 8.89, 122.23 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASN 59 + H ASN 59 OK 100 100 - 100 Peak 6709 from nnoeabs.peaks (4.45, 8.89, 122.23 ppm; 3.16 A): 2 out of 4 assignments used, quality = 0.85: * HA PRO 58 + H ASN 59 OK 83 100 - 83 - 3.6=69, 2.3/6711=16...(6) HA ASP 64 + H ASN 59 OK 12 96 - 13 - 1840/4.3=3, 1848/4.3=3...(4) HA SER 106 - H ASN 59 lone 5 96 - 5 - 1840/4.3=1, 1848/4.3=1 HB THR 54 - H ASN 59 lone 1 65 - 1 - Peak 6710 from nnoeabs.peaks (1.95, 8.89, 122.23 ppm; 4.13 A): 1 out of 6 assignments used, quality = 0.96: * HB2 PRO 58 + H ASN 59 OK 96 100 - 96 - 4.3=86, 2.3/6709=36...(6) HB3 ARG 90 - H ASN 59 OK 19 99 - 20 - 1833/3.6=7, 1849/4.3=6...(5) HB3 PRO 81 - H ASN 59 OK 17 96 - 17 - 2.3/6716=4, 11902/2.9=4...(6) HB3 LYS 95 - H ASN 59 poor 10 65 - 15 - 3.0/9349=4, 3.0/9349=4...(4) HB2 GLU 30 - H ASN 59 poor 10 81 - 12 - 1833/3.6=4, 1849/4.3=3...(4) HB3 LYS 86 - H ASN 59 lone 4 87 - 5 - 1833/3.6=2, 1849/4.3=1 Peak 6711 from nnoeabs.peaks (2.41, 8.89, 122.23 ppm; 3.93 A): 2 out of 3 assignments used, quality = 0.94: * HB3 PRO 58 + H ASN 59 OK 92 100 - 92 - 4.3=74, 2.3/6709=35...(7) HG3 GLN 61 + H ASN 59 OK 31 99 - 31 - 4.5/6722=12, 1834/3.6=8...(6) HG3 GLU 97 - H ASN 59 lone 2 65 - 3 - Peak 6712 from nnoeabs.peaks (2.03, 8.89, 122.23 ppm; 4.36 A): 5 out of 10 assignments used, quality = 0.92: * HG2 PRO 58 + H ASN 59 OK 82 100 - 82 - 2.3/6711=29, 3.8/6709=28...(7) HB2 GLU 44 + H ASN 59 OK 27 98 - 28 - 1.8/6713=9, 1851/4.3=6...(6) HG2 ARG 90 + H ASN 59 OK 22 96 - 23 - 2817/4.3=7, 1835/3.6=5...(5) HB VAL 63 + H ASN 59 OK 12 92 - 13 - ~9361=4, 3.0/2019=3...(5) HB3 GLU 30 + H ASN 59 OK 11 81 - 13 - 1843/4.3=3, 1851/4.3=3...(4) HB2 GLN 134 - H ASN 59 lone 7 87 - 8 - 1851/4.3=2, 1843/4.3=2...(4) HG3 ARG 135 - H ASN 59 lone 4 87 - 5 - 10978/4.6=3 HB3 GLU 91 - H ASN 59 lone 4 87 - 5 - 10978/4.6=2 HB3 MET 11 - H ASN 59 lone 4 96 - 4 - HB3 GLU 40 - H ASN 59 lone 1 65 - 2 - Peak 6713 from nnoeabs.peaks (2.07, 8.89, 122.23 ppm; 4.40 A): 2 out of 6 assignments used, quality = 0.78: * HG3 PRO 58 + H ASN 59 OK 71 100 - 71 - 2.3/6711=30, 3.8/6709=29...(5) HB3 GLU 44 + H ASN 59 OK 26 87 - 30 - 1852/4.3=9, 1844/4.3=8...(5) HB3 LYS 39 - H ASN 59 lone 5 81 - 6 - 1836/3.6=2, 1852/4.3=1 HG3 GLN 134 - H ASN 59 lone 5 57 - 8 - 1852/4.3=2, 1844/4.3=2...(4) HB2 GLU 128 - H ASN 59 lone 2 65 - 2 - HB2 GLU 102 - H ASN 59 lone 1 57 - 2 - Peak 6716 from nnoeabs.peaks (4.33, 8.89, 122.23 ppm; 3.65 A): 1 out of 5 assignments used, quality = 1.00: * HA ASN 59 + H ASN 59 OK 100 100 - 100 - 2.9=100 HA PRO 81 - H ASN 59 OK 13 98 - 13 - 2.3/6710=3, 1890/4.0=2...(7) HA LEU 69 - H ASN 59 OK 12 98 - 12 - 1883/4.0=2, 1890/4.0=2...(8) HA LYS 24 - H ASN 59 lone 9 100 - 8 - 1890/4.0=2, 1883/4.0=2 HA ASP 47 - H ASN 59 lone 2 65 - 3 - Peak 6717 from nnoeabs.peaks (2.62, 8.89, 122.23 ppm; 3.65 A): 1 out of 3 assignments used, quality = 0.87: * HB2 ASN 59 + H ASN 59 OK 87 100 - 87 - 4.0=75, 1.8/6718=26...(4) HB3 CYS 79 - H ASN 59 lone 3 73 - 4 - 1874/2.9=1 HB2 ASP 71 - H ASN 59 lone 3 65 - 4 - 1874/2.9=2 Peak 6718 from nnoeabs.peaks (2.87, 8.89, 122.23 ppm; 3.49 A): 3 out of 4 assignments used, quality = 0.88: * HB3 ASN 59 + H ASN 59 OK 82 100 - 82 - 4.0=66, 1.8/6717=32...(4) HE3 LYS 95 + H ASN 59 OK 19 92 - 20 - 11351/5.7=4, 1875/2.9=4...(8) HE2 LYS 95 + H ASN 59 OK 19 92 - 20 - 11351/5.7=4, 1875/2.9=4...(8) HB3 ASP 131 - H ASN 59 lone 1 65 - 1 - Peak 6720 from nnoeabs.peaks (7.79, 8.89, 122.23 ppm; 5.33 A): 1 out of 2 assignments used, quality = 0.92: * HD22 ASN 59 + H ASN 59 OK 92 100 - 92 - 5.7=81, 3.5/6717=41, 3.5/6718=30 H GLY 75 - H ASN 59 lone 9 92 - 10 - 1887/4.0=4, 1894/4.0=3 Peak 6721 from nnoeabs.peaks (8.66, 8.89, 122.23 ppm; 3.94 A): 2 out of 4 assignments used, quality = 0.87: * H SER 60 + H ASN 59 OK 85 100 - 85 - 4.6=62, 6738/4.0=22...(7) H HIS 67 + H ASN 59 OK 11 57 - 20 - 9334/3.6=6, 9330/4.3=4...(5) H SER 50 - H ASN 59 lone 8 81 - 10 - 1878/2.9=2, 1895/4.0=2...(5) H HIS 8 - H ASN 59 lone 2 65 - 2 - Peak 6722 from nnoeabs.peaks (7.42, 8.89, 122.23 ppm; 5.07 A): 2 out of 2 assignments used, quality = 0.66: * H GLN 61 + H ASN 59 OK 59 100 - 59 - 6745/4.6=30, 6748=17...(5) HE22 GLN 104 + H ASN 59 OK 16 81 - 20 - ~11629=11, 6745/4.6=4 Peak 6723 from nnoeabs.peaks (6.60, 6.60, 111.09 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 59 + HD21 ASN 59 OK 100 100 - 100 Peak 6724 from nnoeabs.peaks (8.89, 6.60, 111.09 ppm; 5.75 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 59 + HD21 ASN 59 OK 100 100 - 100 - 5.7=100 H GLY 66 - HD21 ASN 59 poor 9 73 - 12 - 1872/4.4=4, 1882/3.5=4 Peak 6725 from nnoeabs.peaks (4.33, 6.60, 111.09 ppm; 4.61 A): 1 out of 5 assignments used, quality = 1.00: * HA ASN 59 + HD21 ASN 59 OK 100 100 - 100 - 4.4=100 HA LEU 69 - HD21 ASN 59 OK 16 98 - 17 - 1883/3.5=4, 1890/3.5=4...(5) HA PRO 81 - HD21 ASN 59 OK 13 98 - 14 - 6731/1.7=4, 1890/3.5=4...(4) HA LYS 24 - HD21 ASN 59 OK 11 100 - 11 - 6731/1.7=3, 1890/3.5=3...(4) HA ASP 47 - HD21 ASN 59 lone 2 65 - 3 - Peak 6726 from nnoeabs.peaks (2.62, 6.60, 111.09 ppm; 4.20 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ASN 59 + HD21 ASN 59 OK 100 100 - 100 - 3.5=100 HB3 CYS 79 - HD21 ASN 59 lone 5 73 - 6 - 6732/1.7=2, 1891/3.5=1 HB2 ASP 71 - HD21 ASN 59 lone 4 65 - 6 - 1874/4.4=2, 6732/1.7=1 Peak 6727 from nnoeabs.peaks (2.87, 6.60, 111.09 ppm; 4.03 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ASN 59 + HD21 ASN 59 OK 100 100 - 100 - 3.5=100 HE3 LYS 95 - HD21 ASN 59 OK 31 92 - 34 - 11351/1.7=13, ~11351=11...(6) HE2 LYS 95 - HD21 ASN 59 OK 31 92 - 34 - 11351/1.7=13, ~11351=11...(6) HB3 ASP 131 - HD21 ASN 59 lone 3 65 - 4 - 10518/10547=2 Peak 6728 from nnoeabs.peaks (7.79, 6.60, 111.09 ppm; 2.70 A): 1 out of 2 assignments used, quality = 1.00: * HD22 ASN 59 + HD21 ASN 59 OK 100 100 - 100 - 1.7=100 H GLY 75 - HD21 ASN 59 lone 5 92 - 5 - Peak 6729 from nnoeabs.peaks (7.79, 7.79, 111.09 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 59 + HD22 ASN 59 OK 100 100 - 100 Peak 6731 from nnoeabs.peaks (4.33, 7.79, 111.09 ppm; 4.91 A): 1 out of 5 assignments used, quality = 1.00: * HA ASN 59 + HD22 ASN 59 OK 100 100 - 100 - 4.4=100 HA LEU 69 - HD22 ASN 59 OK 16 98 - 17 - 6725/1.7=5, 1883/3.5=5...(4) HA PRO 81 - HD22 ASN 59 OK 15 98 - 15 - 6725/1.7=4, 1890/3.5=4...(4) HA LYS 24 - HD22 ASN 59 OK 12 100 - 12 - 6725/1.7=3, 1890/3.5=3...(4) HA ASP 47 - HD22 ASN 59 lone 3 65 - 4 - Peak 6732 from nnoeabs.peaks (2.62, 7.79, 111.09 ppm; 4.55 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ASN 59 + HD22 ASN 59 OK 100 100 - 100 - 3.5=100 HB3 CYS 79 - HD22 ASN 59 lone 5 73 - 7 - 6726/1.7=2, 1891/3.5=1 HB2 ASP 71 - HD22 ASN 59 lone 4 65 - 6 - 1874/4.4=2, 6726/1.7=2 Peak 6733 from nnoeabs.peaks (2.87, 7.79, 111.09 ppm; 4.33 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ASN 59 + HD22 ASN 59 OK 100 100 - 100 - 3.5=100 HE3 LYS 95 - HD22 ASN 59 OK 33 92 - 36 - 6727/1.7=8, 1.8/11351=6...(9) HE2 LYS 95 - HD22 ASN 59 OK 33 92 - 36 - 6727/1.7=8, 1.8/11351=6...(9) HB3 ASP 131 - HD22 ASN 59 lone 2 65 - 2 - Peak 6734 from nnoeabs.peaks (6.60, 7.79, 111.09 ppm; 2.84 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 59 + HD22 ASN 59 OK 100 100 - 100 - 1.7=100 Peak 6735 from nnoeabs.peaks (8.66, 8.66, 113.17 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H SER 60 + H SER 60 OK 100 100 - 100 Peak 6736 from nnoeabs.peaks (8.89, 8.66, 113.17 ppm; 3.82 A): 1 out of 2 assignments used, quality = 0.82: * H ASN 59 + H SER 60 OK 82 100 - 82 - 4.6=57, 4.0/6738=20...(7) H GLY 66 - H SER 60 poor 9 73 - 12 - 1872/3.6=2, 6748/4.6=2...(7) Peak 6737 from nnoeabs.peaks (4.33, 8.66, 113.17 ppm; 3.89 A): 1 out of 5 assignments used, quality = 1.00: * HA ASN 59 + H SER 60 OK 100 100 - 100 - 3.6=100 HA PRO 81 - H SER 60 lone 10 98 - 10 - 1890/4.5=2, 1883/4.5=2...(5) HA LEU 69 - H SER 60 lone 9 98 - 9 - 1883/4.5=2, 1890/4.5=2 HA LYS 24 - H SER 60 lone 7 100 - 7 - 1890/4.5=2, 1883/4.5=2...(4) HA ASP 47 - H SER 60 lone 2 65 - 3 - Peak 6738 from nnoeabs.peaks (2.62, 8.66, 113.17 ppm; 3.94 A): 1 out of 3 assignments used, quality = 0.82: * HB2 ASN 59 + H SER 60 OK 82 100 - 82 - 4.5=66, 1.8/6739=30, 4.0/6736=21 HB3 CYS 79 - H SER 60 lone 3 73 - 3 - 1874/3.6=1 HB2 ASP 71 - H SER 60 lone 3 65 - 4 - 1874/3.6=2 Peak 6739 from nnoeabs.peaks (2.87, 8.66, 113.17 ppm; 3.85 A): 3 out of 4 assignments used, quality = 0.84: * HB3 ASN 59 + H SER 60 OK 80 100 - 80 - 4.5=62, 1.8/6738=34, 4.0/6736=20 HE3 LYS 95 + H SER 60 OK 10 92 - 11 - 1875/3.6=4, 6718/4.6=3 HE2 LYS 95 + H SER 60 OK 10 92 - 11 - 1875/3.6=4, 6718/4.6=3 HB3 ASP 131 - H SER 60 lone 1 65 - 1 - Peak 6742 from nnoeabs.peaks (4.01, 8.66, 113.17 ppm; 3.36 A): 1 out of 6 assignments used, quality = 1.00: * HA SER 60 + H SER 60 OK 100 100 - 100 - 2.8=100 HA ARG 135 - H SER 60 lone 3 73 - 4 - 4.2/10978=2 HB3 SER 99 - H SER 60 lone 2 96 - 2 - HB2 SER 38 - H SER 60 lone 2 92 - 2 - HA LYS 95 - H SER 60 lone 2 57 - 3 - HA LEU 103 - H SER 60 lone 1 81 - 2 - Peak 6743 from nnoeabs.peaks (3.91, 8.66, 113.17 ppm; 3.35 A): 3 out of 6 assignments used, quality = 0.89: * HB2 SER 60 + H SER 60 OK 65 100 - 65 - 4.0=59, 4.6/6745=13 HB3 SER 60 + H SER 60 OK 65 100 - 65 - 4.0=59, 4.6/6745=13 HA ALA 41 + H SER 60 OK 15 100 - 15 - ~10933=10, 1898/2.8=3, ~10934=1 HB2 SER 94 - H SER 60 lone 1 87 - 1 - HB2 SER 33 - H SER 60 lone 0 98 - 0 - HA3 GLY 75 - H SER 60 lone 0 92 - 0 - Peak 6744 from nnoeabs.peaks (3.91, 8.66, 113.17 ppm; 3.35 A): 3 out of 6 assignments used, quality = 0.89: HB2 SER 60 + H SER 60 OK 65 100 - 65 - 4.0=59, 4.6/6745=13 * HB3 SER 60 + H SER 60 OK 65 100 - 65 - 4.0=59, 4.6/6745=13 HA ALA 41 + H SER 60 OK 15 100 - 15 - ~10933=10, 1898/2.8=3, ~10934=1 HB2 SER 94 - H SER 60 lone 1 87 - 1 - HB2 SER 33 - H SER 60 lone 0 98 - 0 - HA3 GLY 75 - H SER 60 lone 0 92 - 0 - Peak 6745 from nnoeabs.peaks (7.42, 8.66, 113.17 ppm; 3.63 A): 1 out of 2 assignments used, quality = 0.66: * H GLN 61 + H SER 60 OK 66 100 - 66 - 4.6=48, 6722/4.6=10...(8) HE22 GLN 104 - H SER 60 poor 8 81 - 10 - 1900/2.8=3, 6722/4.6=3...(4) Peak 6746 from nnoeabs.peaks (7.43, 8.66, 113.17 ppm; 3.63 A): 0 out of 2 assignments used, low quality = 0.31: ! H LEU 62 - H SER 60 OK 31 100 - 31 - 6783/4.6=16, 1879/3.6=13...(4) HE22 GLN 104 - H SER 60 poor 9 87 - 11 - 1879/3.6=5, 6761/4.6=4 Peak 6747 from nnoeabs.peaks (7.42, 7.42, 122.18 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLN 61 + H GLN 61 OK 100 100 - 100 Peak 6748 from nnoeabs.peaks (8.89, 7.42, 122.18 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.85: * H ASN 59 + H GLN 61 OK 81 100 - 81 - 4.6/6745=42, 6722=39...(5) H GLY 66 + H GLN 61 OK 20 73 - 28 - ~6833=18, 6736/4.6=5...(5) Peak 6749 from nnoeabs.peaks (4.33, 7.42, 122.18 ppm; 6.26 A): 4 out of 5 assignments used, quality = 0.89: * HA ASN 59 + H GLN 61 OK 81 100 - 81 - 3.6/6745=44, 2.9/6722=36...(9) HA PRO 81 + H GLN 61 OK 22 98 - 22 - 6780/3.9=10, 6737/4.6=3...(6) HA LYS 24 + H GLN 61 OK 16 100 - 16 - 6780/3.9=5, 6737/4.6=2...(4) HA LEU 69 + H GLN 61 OK 13 98 - 13 - 6780/3.9=4, 6737/4.6=3...(4) HA ASP 47 - H GLN 61 lone 5 65 - 7 - 6780/3.9=1 Peak 6750 from nnoeabs.peaks (8.66, 7.42, 122.18 ppm; 4.60 A): 1 out of 4 assignments used, quality = 0.99: * H SER 60 + H GLN 61 OK 99 100 - 99 - 4.6=98, 6746/3.9=26...(11) H SER 50 - H GLN 61 lone 7 81 - 8 - 9214/4.0=2, 1896/3.6=1 H HIS 67 - H GLN 61 lone 4 57 - 7 - 4.1/6748=3, 6721/6722=1 H HIS 8 - H GLN 61 lone 1 65 - 2 - Peak 6751 from nnoeabs.peaks (4.01, 7.42, 122.18 ppm; 6.39 A): 1 out of 6 assignments used, quality = 1.00: * HA SER 60 + H GLN 61 OK 100 100 - 100 - 3.6=100 HB3 SER 99 - H GLN 61 lone 8 96 - 8 - 6801/6802=2, 11378/9405=1 HA LEU 103 - H GLN 61 lone 7 81 - 9 - 6801/6802=3, 1081/10981=1 HB2 SER 38 - H GLN 61 lone 6 92 - 6 - 1081/10981=1, 6801/6802=1 HA ARG 135 - H GLN 61 lone 4 73 - 5 - 6742/4.6=1 HA LYS 95 - H GLN 61 lone 4 57 - 6 - 5.0/10983=1 Peak 6754 from nnoeabs.peaks (4.28, 7.42, 122.18 ppm; 4.48 A): 1 out of 15 assignments used, quality = 1.00: * HA GLN 61 + H GLN 61 OK 100 100 - 100 - 2.8=100 HB THR 115 - H GLN 61 OK 11 81 - 14 - 1926/4.0=2, 1935/4.0=2...(7) HA LEU 22 - H GLN 61 OK 11 96 - 12 - ~377=2, ~385=2...(4) HA LYS 31 - H GLN 61 lone 6 96 - 7 - 1944/4.5=1, 1953/4.5=1 HA ALA 16 - H GLN 61 lone 5 92 - 5 - 6784/3.9=1 HA ARG 23 - H GLN 61 lone 4 92 - 5 - HA LYS 36 - H GLN 61 lone 4 87 - 4 - HA ALA 109 - H GLN 61 lone 3 96 - 4 - HA ALA 110 - H GLN 61 lone 3 98 - 3 - HA ALA 12 - H GLN 61 lone 3 96 - 3 - HA ALA 108 - H GLN 61 lone 3 96 - 3 - HA ALA 15 - H GLN 61 lone 3 96 - 3 - HA SER 74 - H GLN 61 lone 1 57 - 2 - HA ALA 21 - H GLN 61 lone 1 65 - 2 - HA THR 25 - H GLN 61 lone 1 57 - 2 - Peak 6755 from nnoeabs.peaks (2.10, 7.42, 122.18 ppm; 3.59 A): 2 out of 5 assignments used, quality = 0.99: * HB2 GLN 61 + H GLN 61 OK 90 100 - 90 - 4.0=74, 3.0/1952=22...(7) HB3 GLN 61 + H GLN 61 OK 88 98 - 90 - 4.0=74, 3.0/1952=22...(7) HB VAL 57 - H GLN 61 OK 13 73 - 18 - 2.1/9298=7, 1954/4.5=3...(7) HB VAL 126 - H GLN 61 poor 9 81 - 11 - 4.6/6762=3, 6786/3.9=2...(4) HB3 GLN 82 - H GLN 61 lone 2 87 - 3 - Peak 6756 from nnoeabs.peaks (2.10, 7.42, 122.18 ppm; 3.59 A): 2 out of 5 assignments used, quality = 0.99: * HB3 GLN 61 + H GLN 61 OK 90 100 - 90 - 4.0=74, 3.0/1952=22...(7) HB2 GLN 61 + H GLN 61 OK 88 98 - 90 - 4.0=74, 3.0/1952=22...(7) HB VAL 126 - H GLN 61 OK 11 96 - 11 - 4.6/6762=3, 6786/3.9=2...(4) HB3 GLN 82 - H GLN 61 lone 2 65 - 2 - HG3 GLU 91 - H GLN 61 lone 1 73 - 2 - Peak 6757 from nnoeabs.peaks (2.28, 7.42, 122.18 ppm; 4.71 A): 1 out of 5 assignments used, quality = 1.00: * HG2 GLN 61 + H GLN 61 OK 100 100 - 100 - 4.5=100 HB VAL 132 - H GLN 61 OK 22 100 - 22 - 6787/3.9=7, 1917/2.8=5...(7) HB3 PRO 113 - H GLN 61 OK 14 81 - 17 - 3.0/10984=7, 1917/2.8=3...(4) HG2 GLU 97 - H GLN 61 poor 7 57 - 13 - 1.8/6758=3, 1917/2.8=2...(4) HG2 GLU 30 - H GLN 61 lone 7 87 - 8 - 1917/2.8=2, 6787/3.9=1 Peak 6758 from nnoeabs.peaks (2.41, 7.42, 122.18 ppm; 4.54 A): 2 out of 5 assignments used, quality = 1.00: * HG3 GLN 61 + H GLN 61 OK 100 100 - 100 - 4.5=100 HB3 PRO 58 + H GLN 61 OK 62 99 - 62 - 9331/3.9=21, 4.3/6722=17...(10) HG3 GLU 97 - H GLN 61 OK 11 81 - 14 - 1918/2.8=2, 1.8/6757=2...(9) HG3 GLU 128 - H GLN 61 lone 3 73 - 4 - HG2 GLN 101 - H GLN 61 lone 1 57 - 2 - Peak 6761 from nnoeabs.peaks (7.43, 7.42, 122.18 ppm; 3.03 A): 2 out of 2 assignments used, quality = 0.77: * H LEU 62 + H GLN 61 OK 71 100 - 71 - 3.9=48, 6746/4.6=9...(12) HE22 GLN 104 + H GLN 61 OK 19 87 - 22 - 1921/2.8=4, 1951/4.5=3...(9) Peak 6762 from nnoeabs.peaks (8.20, 7.42, 122.18 ppm; 6.30 A): 2 out of 2 assignments used, quality = 0.93: * H VAL 63 + H GLN 61 OK 89 100 - 89 - 4.2/6783=39, 1901/3.6=35...(11) H GLN 127 + H GLN 61 OK 40 96 - 42 - 6797/3.9=14, 1901/3.6=8...(10) Peak 6763 from nnoeabs.peaks (6.88, 6.88, 111.48 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 61 + HE21 GLN 61 OK 100 100 - 100 Peak 6766 from nnoeabs.peaks (2.10, 6.88, 111.48 ppm; 4.55 A): 2 out of 5 assignments used, quality = 1.00: * HB2 GLN 61 + HE21 GLN 61 OK 100 100 - 100 - 4.4=100 HB3 GLN 61 + HE21 GLN 61 OK 98 98 - 100 - 4.4=100 HB VAL 57 - HE21 GLN 61 OK 34 73 - 46 - 2.1/9376=20, 2.1/9300=16...(7) HB3 GLN 82 - HE21 GLN 61 lone 8 87 - 9 - ~11236=2, 6774/1.7=1, 4.0/6770=1 HB VAL 126 - HE21 GLN 61 lone 7 81 - 8 - 1946/3.5=2, 1955/3.5=2...(5) Peak 6767 from nnoeabs.peaks (2.10, 6.88, 111.48 ppm; 4.55 A): 2 out of 5 assignments used, quality = 1.00: * HB3 GLN 61 + HE21 GLN 61 OK 100 100 - 100 - 4.4=100 HB2 GLN 61 + HE21 GLN 61 OK 98 98 - 100 - 4.4=100 HB VAL 126 - HE21 GLN 61 lone 8 96 - 8 - 1946/3.5=2, 1955/3.5=2...(5) HB3 GLN 82 - HE21 GLN 61 lone 6 65 - 9 - ~11236=2, 6774/1.7=1, 4.0/6770=1 HG3 GLU 91 - HE21 GLN 61 lone 2 73 - 3 - Peak 6768 from nnoeabs.peaks (2.28, 6.88, 111.48 ppm; 4.24 A): 1 out of 5 assignments used, quality = 1.00: * HG2 GLN 61 + HE21 GLN 61 OK 100 100 - 100 - 3.5=100 HB VAL 132 - HE21 GLN 61 OK 16 100 - 16 - 6776/1.7=4, 1956/3.5=3...(7) HG2 GLU 97 - HE21 GLN 61 poor 7 57 - 12 - 1.8/6769=3, ~6777=2...(4) HB3 PRO 113 - HE21 GLN 61 lone 6 81 - 7 - 6776/1.7=2, 1956/3.5=1...(4) HG2 GLU 30 - HE21 GLN 61 lone 6 87 - 7 - 6776/1.7=2, 1956/3.5=1 Peak 6769 from nnoeabs.peaks (2.41, 6.88, 111.48 ppm; 4.48 A): 1 out of 5 assignments used, quality = 1.00: * HG3 GLN 61 + HE21 GLN 61 OK 100 100 - 100 - 3.5=100 HB3 PRO 58 - HE21 GLN 61 OK 36 99 - 36 - 1948/3.5=10, 6777/1.7=9...(8) HG3 GLU 97 - HE21 GLN 61 OK 11 81 - 13 - 6777/1.7=3, 1.8/6768=2...(7) HG3 GLU 128 - HE21 GLN 61 lone 2 73 - 3 - HG2 GLN 101 - HE21 GLN 61 lone 1 57 - 2 - Peak 6770 from nnoeabs.peaks (7.56, 6.88, 111.48 ppm; 2.50 A): 1 out of 3 assignments used, quality = 1.00: * HE22 GLN 61 + HE21 GLN 61 OK 100 100 - 100 - 1.7=100 H GLN 82 - HE21 GLN 61 lone 3 96 - 3 - H THR 54 - HE21 GLN 61 lone 0 57 - 0 - Peak 6771 from nnoeabs.peaks (7.56, 7.56, 111.48 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 61 + HE22 GLN 61 OK 100 100 - 100 Peak 6774 from nnoeabs.peaks (2.10, 7.56, 111.48 ppm; 4.41 A): 2 out of 5 assignments used, quality = 1.00: * HB2 GLN 61 + HE22 GLN 61 OK 100 100 - 100 - 4.4=100 HB3 GLN 61 + HE22 GLN 61 OK 98 98 - 100 - 4.4=100 HB VAL 57 - HE22 GLN 61 OK 34 73 - 46 - ~9376=14, ~9300=13...(8) HB3 GLN 82 - HE22 GLN 61 lone 7 87 - 8 - 1.8/11236=3, 6766/1.7=1 HB VAL 126 - HE22 GLN 61 lone 6 81 - 8 - 1946/3.5=2, 1955/3.5=2...(4) Peak 6775 from nnoeabs.peaks (2.10, 7.56, 111.48 ppm; 4.41 A): 2 out of 5 assignments used, quality = 1.00: * HB3 GLN 61 + HE22 GLN 61 OK 100 100 - 100 - 4.4=100 HB2 GLN 61 + HE22 GLN 61 OK 98 98 - 100 - 4.4=100 HB VAL 126 - HE22 GLN 61 lone 7 96 - 8 - 1946/3.5=2, 1955/3.5=2...(5) HB3 GLN 82 - HE22 GLN 61 lone 5 65 - 7 - 1.8/11236=3, 6766/1.7=1 HG3 GLU 91 - HE22 GLN 61 lone 2 73 - 2 - Peak 6776 from nnoeabs.peaks (2.28, 7.56, 111.48 ppm; 3.74 A): 1 out of 5 assignments used, quality = 1.00: * HG2 GLN 61 + HE22 GLN 61 OK 100 100 - 100 - 3.5=100 HB VAL 132 - HE22 GLN 61 OK 13 100 - 13 - 6768/1.7=4, 1956/3.5=2...(7) HG2 GLU 97 - HE22 GLN 61 lone 5 57 - 9 - 1.8/6777=2, 6768/1.7=2...(4) HB3 PRO 113 - HE22 GLN 61 lone 5 81 - 6 - 6768/1.7=1, 1956/3.5=1 HG2 GLU 30 - HE22 GLN 61 lone 5 87 - 5 - 6768/1.7=1, 1956/3.5=1 Peak 6777 from nnoeabs.peaks (2.41, 7.56, 111.48 ppm; 4.05 A): 1 out of 5 assignments used, quality = 1.00: * HG3 GLN 61 + HE22 GLN 61 OK 100 100 - 100 - 3.5=100 HB3 PRO 58 - HE22 GLN 61 OK 29 99 - 29 - 1948/3.5=8, 6769/1.7=8...(7) HG3 GLU 97 - HE22 GLN 61 poor 9 81 - 11 - 6769/1.7=2, 1.8/6776=2...(4) HG3 GLU 128 - HE22 GLN 61 lone 2 73 - 2 - HG2 GLN 101 - HE22 GLN 61 lone 1 57 - 1 - Peak 6778 from nnoeabs.peaks (6.88, 7.56, 111.48 ppm; 2.50 A): 1 out of 3 assignments used, quality = 1.00: * HE21 GLN 61 + HE22 GLN 61 OK 100 100 - 100 - 1.7=100 HD21 ASN 121 - HE22 GLN 61 lone 3 98 - 3 - HE21 GLN 134 - HE22 GLN 61 lone 0 73 - 0 - Peak 6779 from nnoeabs.peaks (7.43, 7.43, 120.60 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 62 + H LEU 62 OK 100 100 - 100 Peak 6780 from nnoeabs.peaks (4.33, 7.43, 120.60 ppm; 4.37 A): 4 out of 5 assignments used, quality = 0.91: * HA ASN 59 + H LEU 62 OK 81 100 - 82 - 1879=32, 3.6/6746=26...(8) HA PRO 81 + H LEU 62 OK 33 98 - 34 - ~11896=8, 3.6/6791=5...(9) HA LYS 24 + H LEU 62 OK 16 100 - 15 - 9388/4.6=3, 11000/4.8=3...(6) HA LEU 69 + H LEU 62 OK 14 98 - 14 - 9388/4.6=3...(7) HA ASP 47 - H LEU 62 lone 4 65 - 7 - 9388/4.6=1 Peak 6783 from nnoeabs.peaks (7.42, 7.43, 120.60 ppm; 2.85 A): 2 out of 2 assignments used, quality = 0.70: * H GLN 61 + H LEU 62 OK 64 100 - 64 - 3.9=40, 6802/4.2=7...(10) HE22 GLN 104 + H LEU 62 OK 16 81 - 20 - 6802/4.2=4, 1.7/7507=3...(8) Peak 6784 from nnoeabs.peaks (4.28, 7.43, 120.60 ppm; 4.49 A): 1 out of 15 assignments used, quality = 1.00: * HA GLN 61 + H LEU 62 OK 100 100 - 100 - 3.6=100 HB THR 115 - H LEU 62 poor 9 81 - 11 - 1926/4.6=2, 1935/4.6=2...(4) HA ALA 16 - H LEU 62 lone 6 92 - 6 - 10669/11653=2, 6803/4.2=1 HA LEU 22 - H LEU 62 lone 6 96 - 6 - 6754/3.9=2, 6803/4.2=1 HA LYS 31 - H LEU 62 lone 5 96 - 5 - 6754/3.9=1 HA LYS 36 - H LEU 62 lone 4 87 - 4 - 6803/4.2=2 HA ALA 109 - H LEU 62 lone 4 96 - 4 - 6803/4.2=1 HA ARG 23 - H LEU 62 lone 3 92 - 3 - HA ALA 110 - H LEU 62 lone 3 98 - 3 - HA ALA 108 - H LEU 62 lone 2 96 - 3 - HA SER 74 - H LEU 62 lone 2 57 - 4 - ~1970=3 HA ALA 12 - H LEU 62 lone 2 96 - 3 - HA ALA 15 - H LEU 62 lone 2 96 - 2 - HA ALA 21 - H LEU 62 lone 1 65 - 2 - HA THR 25 - H LEU 62 lone 1 57 - 1 - Peak 6785 from nnoeabs.peaks (2.10, 7.43, 120.60 ppm; 3.56 A): 2 out of 5 assignments used, quality = 0.94: * HB2 GLN 61 + H LEU 62 OK 75 100 - 76 - 4.6=46, 4.0/6783=20...(5) HB3 GLN 61 + H LEU 62 OK 74 98 - 75 - 4.6=46, 4.0/6783=20...(5) HB VAL 126 - H LEU 62 OK 15 81 - 18 - 4.6/6797=4, 4008/2.9=4...(6) HB VAL 57 - H LEU 62 OK 10 73 - 14 - 10970/5.0=5, 2.1/9298=3...(6) HB3 GLN 82 - H LEU 62 lone 1 87 - 1 - Peak 6786 from nnoeabs.peaks (2.10, 7.43, 120.60 ppm; 3.56 A): 3 out of 5 assignments used, quality = 0.95: * HB3 GLN 61 + H LEU 62 OK 75 100 - 76 - 4.6=46, 4.0/6783=20...(5) HB2 GLN 61 + H LEU 62 OK 74 98 - 76 - 4.6=46, 4.0/6783=20...(5) HB VAL 126 + H LEU 62 OK 20 96 - 21 - 4008/2.9=5, 4014/4.2=5...(7) HG3 GLU 91 - H LEU 62 lone 2 73 - 2 - HB3 GLN 82 - H LEU 62 lone 1 65 - 1 - Peak 6787 from nnoeabs.peaks (2.28, 7.43, 120.60 ppm; 5.36 A): 3 out of 5 assignments used, quality = 0.93: * HG2 GLN 61 + H LEU 62 OK 85 100 - 85 - 1.8/1960=38, 1951=37...(7) HB VAL 132 + H LEU 62 OK 48 100 - 48 - 2.1/11653=20...(9) HB3 PRO 113 + H LEU 62 OK 14 81 - 17 - 6757/3.9=3, 1917/3.6=3...(7) HG2 GLU 30 - H LEU 62 lone 8 87 - 9 - 1917/3.6=2, 6757/3.9=2 HG2 GLU 97 - H LEU 62 poor 7 57 - 11 - 1.8/6788=2, 1917/3.6=2...(4) Peak 6788 from nnoeabs.peaks (2.41, 7.43, 120.60 ppm; 6.30 A): 2 out of 5 assignments used, quality = 0.99: * HG3 GLN 61 + H LEU 62 OK 92 100 - 92 - 1952/3.9=42, 1960=38...(9) HB3 PRO 58 + H LEU 62 OK 82 99 - 82 - 1.8/9333=42, 9331=42...(9) HG3 GLU 97 - H LEU 62 OK 14 81 - 17 - 10033/6795=4, 1918/3.6=3...(6) HG3 GLU 128 - H LEU 62 lone 7 73 - 9 - 11627/11653=3 HG2 GLN 101 - H LEU 62 lone 2 57 - 4 - Peak 6791 from nnoeabs.peaks (3.85, 7.43, 120.60 ppm; 4.10 A): 1 out of 6 assignments used, quality = 1.00: * HA LEU 62 + H LEU 62 OK 100 100 - 100 - 2.9=100 HA LEU 123 - H LEU 62 OK 42 99 - 42 - 3.0/6794=7, 1998/5.0=5...(13) HD2 PRO 81 - H LEU 62 OK 31 87 - 36 - ~11896=6, 3.6/6780=5...(13) HA GLU 40 - H LEU 62 OK 15 96 - 15 - 1973/3.9=2, 1982/3.9=2...(9) HB2 SER 50 - H LEU 62 poor 8 73 - 10 - 2006/4.6=2, 1982/3.9=1...(5) HB3 SER 33 - H LEU 62 lone 5 87 - 5 - Peak 6792 from nnoeabs.peaks (2.06, 7.43, 120.60 ppm; 3.60 A): 2 out of 8 assignments used, quality = 0.94: * HB2 LEU 62 + H LEU 62 OK 90 100 - 90 - 3.9=75, 3.1/1997=16...(9) HB2 GLN 127 + H LEU 62 OK 37 100 - 37 - 10436/4.6=7, 4040/4.2=7...(9) HG3 PRO 81 - H LEU 62 OK 24 92 - 27 - ~11896=5, 2.3/6791=4...(11) HG2 PRO 117 - H LEU 62 lone 9 98 - 9 - 1963/2.9=1, 1983/3.9=1 HG3 PRO 113 - H LEU 62 lone 8 96 - 8 - 1963/2.9=1, 2.3/6787=1 HG3 PRO 117 - H LEU 62 lone 7 87 - 8 - 1963/2.9=1, 1983/3.9=1 HB VAL 118 - H LEU 62 lone 6 100 - 6 - HB3 GLN 27 - H LEU 62 lone 5 96 - 5 - 1963/2.9=1 Peak 6793 from nnoeabs.peaks (1.14, 7.43, 120.60 ppm; 4.15 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 62 + H LEU 62 OK 100 100 - 100 - 3.9=100 QG2 VAL 132 - H LEU 62 OK 37 87 - 43 - 2.1/11653=13, 1964/2.9=8...(8) Peak 6794 from nnoeabs.peaks (1.65, 7.43, 120.60 ppm; 3.63 A): 3 out of 7 assignments used, quality = 0.91: * HG LEU 62 + H LEU 62 OK 81 100 - 81 - 4.8=44, 2.1/1997=20...(12) HB2 LEU 123 + H LEU 62 OK 34 99 - 34 - 3920/2.9=7, 3.0/6791=5...(11) HG LEU 43 + H LEU 62 OK 33 92 - 36 - ~11805=7, 1965/2.9=6...(10) HD2 LYS 19 - H LEU 62 lone 7 100 - 7 - 1965/2.9=1 HD3 LYS 19 - H LEU 62 lone 7 100 - 7 - 1965/2.9=1 HB2 LEU 98 - H LEU 62 lone 5 96 - 6 - HD2 LYS 95 - H LEU 62 lone 2 87 - 2 - Peak 6795 from nnoeabs.peaks (0.68, 7.43, 120.60 ppm; 4.01 A): 2 out of 2 assignments used, quality = 0.91: * QD2 LEU 62 + H LEU 62 OK 85 100 - 85 - 5.0=51, 1966/2.9=24...(9) QD2 LEU 100 + H LEU 62 OK 41 98 - 42 - 1966/2.9=11, 6809/4.2=8...(6) Peak 6796 from nnoeabs.peaks (0.91, 7.43, 120.60 ppm; 3.60 A): 3 out of 5 assignments used, quality = 0.95: * QD1 LEU 62 + H LEU 62 OK 83 100 - 83 - 4.6=48, 2.1/1997=20...(11) QG2 VAL 63 + H LEU 62 OK 52 98 - 54 - 3.7/6804=16...(10) QD1 LEU 49 + H LEU 62 OK 39 100 - 39 - 2.1/10993=13, ~10994=9...(8) QD2 LEU 48 - H LEU 62 lone 9 92 - 10 - 1967/2.9=2, 6814/4.2=1...(4) QG1 VAL 20 - H LEU 62 lone 5 87 - 5 - Peak 6797 from nnoeabs.peaks (8.20, 7.43, 120.60 ppm; 4.03 A): 1 out of 2 assignments used, quality = 0.96: * H VAL 63 + H LEU 62 OK 96 100 - 96 - 4.2=86, 6802/3.9=18...(14) H GLN 127 - H LEU 62 OK 39 96 - 41 - 1968/2.9=10, 2004/5.0=7...(11) Peak 6799 from nnoeabs.peaks (8.20, 8.20, 118.17 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 63 + H VAL 63 OK 100 100 - 100 Peak 6800 from nnoeabs.peaks (4.33, 8.20, 118.17 ppm; 5.72 A): 4 out of 5 assignments used, quality = 0.87: * HA ASN 59 + H VAL 63 OK 75 100 - 75 - 9360/4.5=35, 1879/4.2=27...(9) HA PRO 81 + H VAL 63 OK 30 98 - 31 - 6780/4.2=8, 1980/4.5=7...(8) HA LYS 24 + H VAL 63 OK 17 100 - 17 - 1980/4.5=5, 6780/4.2=4...(6) HA LEU 69 + H VAL 63 OK 12 98 - 13 - 6780/4.2=4, 1980/4.5=3 HA ASP 47 - H VAL 63 lone 5 65 - 8 - 1980/4.5=1, 6780/4.2=1...(4) Peak 6801 from nnoeabs.peaks (4.01, 8.20, 118.17 ppm; 4.68 A): 3 out of 6 assignments used, quality = 0.81: * HA SER 60 + H VAL 63 OK 69 100 - 69 - 1901=35, 3.6/6802=24...(6) HA LEU 103 + H VAL 63 OK 24 81 - 30 - 4.1/11715=9, 4.1/6813=8...(5) HB3 SER 99 + H VAL 63 OK 19 96 - 19 - 11378/4.0=6, 2020/4.0=6 HB2 SER 38 - H VAL 63 poor 10 92 - 11 - 9043/9396=4, 6818/4.3=2...(4) HA LYS 95 - H VAL 63 lone 2 57 - 4 - HA ARG 135 - H VAL 63 lone 2 73 - 3 - Peak 6802 from nnoeabs.peaks (7.42, 8.20, 118.17 ppm; 3.68 A): 2 out of 2 assignments used, quality = 0.63: * H GLN 61 + H VAL 63 OK 51 100 - 51 - 6783/4.2=19, 3.6/1901=13...(8) HE22 GLN 104 + H VAL 63 OK 25 81 - 32 - 9405/4.0=12, 9407/3.7=7...(6) Peak 6803 from nnoeabs.peaks (4.28, 8.20, 118.17 ppm; 5.40 A): 2 out of 15 assignments used, quality = 0.79: * HA GLN 61 + H VAL 63 OK 75 100 - 75 - 3.6/6804=33, 2.8/6802=32...(6) HA LYS 36 + H VAL 63 OK 14 87 - 15 - 3.6/6815=6, 6819/4.3=4...(5) HA LEU 22 - H VAL 63 lone 9 96 - 9 - 10721/4.0=2, 6819/4.3=2...(4) HA ALA 109 - H VAL 63 lone 8 96 - 8 - 6819/4.3=5 HA ALA 16 - H VAL 63 lone 8 92 - 8 - 10671/4.0=3, 6784/4.2=1 HA LYS 31 - H VAL 63 lone 7 96 - 8 - 10816/9396=3, 6819/4.3=1 HB THR 115 - H VAL 63 lone 6 81 - 7 - 6784/4.2=2, 10189/4.5=1 HA ALA 108 - H VAL 63 lone 4 96 - 4 - 6819/4.3=1 HA SER 74 - H VAL 63 lone 3 57 - 6 - 9590/4.0=2 HA ARG 23 - H VAL 63 lone 3 92 - 3 - HA ALA 110 - H VAL 63 lone 3 98 - 3 - HA ALA 12 - H VAL 63 lone 3 96 - 3 - HA ALA 15 - H VAL 63 lone 3 96 - 3 - HA ALA 21 - H VAL 63 lone 2 65 - 2 - HA THR 25 - H VAL 63 lone 2 57 - 3 - Peak 6804 from nnoeabs.peaks (7.43, 8.20, 118.17 ppm; 3.68 A): 2 out of 2 assignments used, quality = 0.90: * H LEU 62 + H VAL 63 OK 85 100 - 85 - 4.2=66, 3.9/6807=14...(12) HE22 GLN 104 + H VAL 63 OK 29 87 - 33 - 10078/4.0=8, 9407/3.7=7...(9) Peak 6805 from nnoeabs.peaks (3.85, 8.20, 118.17 ppm; 4.87 A): 1 out of 6 assignments used, quality = 1.00: * HA LEU 62 + H VAL 63 OK 100 100 - 100 - 3.6=100 HA LEU 123 - H VAL 63 OK 38 99 - 38 - 3.0/6808=7, 6791/4.2=7...(13) HD2 PRO 81 - H VAL 63 OK 22 87 - 26 - 3.6/6800=5, 6791/4.2=5...(6) HA GLU 40 - H VAL 63 OK 13 96 - 13 - 1973/4.5=3, 1982/4.5=3 HB2 SER 50 - H VAL 63 poor 10 73 - 13 - 11699/4.0=4, 1982/4.5=2...(4) HB3 SER 33 - H VAL 63 lone 6 87 - 7 - 10863/4.0=1 Peak 6806 from nnoeabs.peaks (2.06, 8.20, 118.17 ppm; 3.68 A): 3 out of 8 assignments used, quality = 0.94: * HB2 LEU 62 + H VAL 63 OK 86 100 - 86 - 4.5=53, 1.8/6807=21...(12) HB2 GLN 127 + H VAL 63 OK 54 100 - 54 - 4040=14, 1.8/4050=10...(12) HG3 PRO 81 + H VAL 63 OK 14 92 - 15 - 1963/3.6=3, 6792/4.2=3...(5) HB VAL 118 - H VAL 63 lone 10 100 - 10 - 11548/4.0=2...(3) HG3 PRO 113 - H VAL 63 lone 9 96 - 9 - 10144/9396=3, 1963/3.6=1 HG2 PRO 117 - H VAL 63 lone 7 98 - 7 - 1963/3.6=1, 1983/4.5=1 HB3 GLN 27 - H VAL 63 lone 7 96 - 7 - HG3 PRO 117 - H VAL 63 lone 5 87 - 6 - 1963/3.6=1 Peak 6807 from nnoeabs.peaks (1.14, 8.20, 118.17 ppm; 4.47 A): 1 out of 2 assignments used, quality = 0.99: * HB3 LEU 62 + H VAL 63 OK 99 100 - 99 - 4.5=95, 11012/3.7=26...(15) QG2 VAL 132 - H VAL 63 OK 24 87 - 27 - 1964/3.6=8, 6793/4.2=7...(7) Peak 6808 from nnoeabs.peaks (1.65, 8.20, 118.17 ppm; 4.57 A): 3 out of 7 assignments used, quality = 0.93: * HG LEU 62 + H VAL 63 OK 86 100 - 86 - ~9386=27, 3.0/6807=27...(14) HB2 LEU 123 + H VAL 63 OK 34 99 - 35 - 3920/3.6=9, 6794/4.2=6...(9) HG LEU 43 + H VAL 63 OK 25 92 - 27 - 1965/3.6=8, 6794/4.2=6...(6) HD2 LYS 19 - H VAL 63 lone 8 100 - 8 - 1965/3.6=2, 1985/4.5=1...(4) HD3 LYS 19 - H VAL 63 lone 8 100 - 8 - 1965/3.6=2, 1985/4.5=1...(4) HB2 LEU 98 - H VAL 63 lone 8 96 - 8 - 1965/3.6=1, 6794/4.2=1 HD2 LYS 95 - H VAL 63 lone 2 87 - 3 - Peak 6809 from nnoeabs.peaks (0.68, 8.20, 118.17 ppm; 4.42 A): 2 out of 2 assignments used, quality = 0.97: * QD2 LEU 62 + H VAL 63 OK 92 100 - 92 - 9386/2.9=41, 2004=30...(14) QD2 LEU 100 + H VAL 63 OK 67 98 - 69 - ~10034=20, 9397/2.9=16...(11) Peak 6810 from nnoeabs.peaks (0.91, 8.20, 118.17 ppm; 3.16 A): 3 out of 5 assignments used, quality = 0.95: QG2 VAL 63 + H VAL 63 OK 81 98 - 83 - 3.7=60, 2.1/2021=18...(11) * QD1 LEU 62 + H VAL 63 OK 68 100 - 68 - 3.2/6807=12, ~9386=11...(17) QD1 LEU 49 + H VAL 63 OK 18 100 - 19 - 1967/3.6=4, 6796/4.2=3...(5) QD2 LEU 48 - H VAL 63 poor 10 92 - 11 - 1967/3.6=2, 2017/2.9=1...(4) QG1 VAL 20 - H VAL 63 lone 7 87 - 8 - 2017/2.9=1, 2025/4.0=1 Peak 6811 from nnoeabs.peaks (3.37, 8.20, 118.17 ppm; 3.97 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 63 + H VAL 63 OK 100 100 - 100 - 2.9=100 Peak 6812 from nnoeabs.peaks (2.02, 8.20, 118.17 ppm; 3.36 A): 2 out of 7 assignments used, quality = 0.85: * HB VAL 63 + H VAL 63 OK 79 100 - 79 - 4.0=60, 2.1/2033=21...(6) HB3 MET 11 + H VAL 63 OK 31 100 - 31 - 10651/3.7=19, 2015/2.9=6...(4) HG2 ARG 90 - H VAL 63 lone 7 100 - 7 - 2029/4.0=2, 11845/9396=1...(4) HG2 PRO 58 - H VAL 63 lone 6 92 - 7 - 6824/4.3=2, 2015/2.9=1 HB2 GLU 44 - H VAL 63 lone 3 99 - 3 - HB2 GLN 134 - H VAL 63 lone 3 100 - 2 - HB3 GLU 30 - H VAL 63 lone 3 99 - 2 - Peak 6813 from nnoeabs.peaks (0.78, 8.20, 118.17 ppm; 3.48 A): 4 out of 5 assignments used, quality = 0.94: * QG1 VAL 63 + H VAL 63 OK 85 100 - 85 - 4.0=66, 2.1/2033=23...(9) QD1 LEU 103 + H VAL 63 OK 39 100 - 39 - ~11720=11, 11708/2.9=9...(7) QD1 ILE 32 + H VAL 63 OK 23 87 - 26 - 2.1/9396=18, 2016/2.9=3...(6) QD1 ILE 37 + H VAL 63 OK 18 96 - 19 - 9395/4.5=3, 2016/2.9=3...(7) QD2 LEU 122 - H VAL 63 lone 8 96 - 9 - 2016/2.9=2, 2036/3.7=1 Peak 6814 from nnoeabs.peaks (0.91, 8.20, 118.17 ppm; 3.16 A): 2 out of 5 assignments used, quality = 0.94: * QG2 VAL 63 + H VAL 63 OK 83 100 - 83 - 3.7=60, 2.1/2021=18...(11) QD1 LEU 62 + H VAL 63 OK 66 98 - 68 - 3.2/6807=12, ~9386=11...(15) QD1 LEU 49 - H VAL 63 OK 18 99 - 18 - 1967/3.6=4, 6796/4.2=3...(6) QD2 LEU 48 - H VAL 63 OK 11 99 - 11 - 1967/3.6=2, 2017/2.9=1...(5) QG1 VAL 20 - H VAL 63 lone 8 98 - 8 - 2017/2.9=1, 2025/4.0=1...(4) Peak 6815 from nnoeabs.peaks (7.96, 8.20, 118.17 ppm; 3.81 A): 2 out of 2 assignments used, quality = 0.89: * H ASP 64 + H VAL 63 OK 87 100 - 87 - 4.3=70, 2026/4.0=17...(9) H ILE 37 + H VAL 63 OK 14 73 - 19 - 2032/4.0=4, 2018/2.9=4...(6) Peak 6816 from nnoeabs.peaks (8.38, 8.20, 118.17 ppm; 6.80 A): 1 out of 5 assignments used, quality = 0.97: * H THR 65 + H VAL 63 OK 97 100 - 97 - 6837/4.3=46, 6836/2.9=38...(11) H ASP 35 - H VAL 63 poor 9 87 - 11 - 6830/4.3=6, 1969/3.6=2 H GLN 27 - H VAL 63 poor 8 73 - 10 - 1969/3.6=3, 4.0/6806=2 H HIS 3 - H VAL 63 lone 7 100 - 7 - 1969/3.6=2, 6830/4.3=2 H LYS 26 - H VAL 63 lone 3 57 - 5 - Peak 6817 from nnoeabs.peaks (7.96, 7.96, 120.19 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASP 64 + H ASP 64 OK 100 100 - 100 Peak 6818 from nnoeabs.peaks (4.01, 7.96, 120.19 ppm; 4.16 A): 3 out of 6 assignments used, quality = 0.53: * HA SER 60 + H ASP 64 OK 38 100 - 38 - 1901/4.3=15, 4.9/1922=12...(6) HA LEU 103 + H ASP 64 OK 14 81 - 17 - 4.1/6825=5, 2020/4.5=5...(4) HB3 SER 99 + H ASP 64 OK 13 96 - 13 - 11378/4.3=5, 2020/4.5=4 HB2 SER 38 - H ASP 64 lone 5 92 - 5 - 6801/4.3=2, 3.9/6420=1 HA LYS 95 - H ASP 64 lone 2 57 - 4 - 3.9/9409=1, 3.9/9409=1 HA ARG 135 - H ASP 64 lone 1 73 - 2 - Peak 6819 from nnoeabs.peaks (4.28, 7.96, 120.19 ppm; 4.73 A): 4 out of 15 assignments used, quality = 0.92: * HA GLN 61 + H ASP 64 OK 83 100 - 83 - 1924/3.9=29, 1923/3.9=28...(9) HA ALA 109 + H ASP 64 OK 30 96 - 32 - 2.1/9409=16, ~11794=9...(6) HA LYS 36 + H ASP 64 OK 21 87 - 24 - 2047/3.9=4, 2053/3.9=3...(10) HA LEU 22 + H ASP 64 OK 11 96 - 11 - 6833/4.2=3, 2047/3.9=2...(5) HA LYS 31 - H ASP 64 lone 8 96 - 8 - 3.8/9409=3, 6803/4.3=1 HA ALA 16 - H ASP 64 lone 7 92 - 7 - 10671/4.3=2, 6803/4.3=1 HA ALA 108 - H ASP 64 lone 7 96 - 7 - 2.1/9409=2, 3527/9409=1 HA ALA 110 - H ASP 64 lone 4 98 - 4 - HA SER 74 - H ASP 64 lone 4 57 - 7 - 6833/4.2=2, 9590/4.3=1 HB THR 115 - H ASP 64 lone 4 81 - 5 - HA ARG 23 - H ASP 64 lone 4 92 - 4 - HA ALA 15 - H ASP 64 lone 3 96 - 3 - HA ALA 12 - H ASP 64 lone 3 96 - 3 - HA ALA 21 - H ASP 64 lone 1 65 - 2 - HA THR 25 - H ASP 64 lone 1 57 - 2 - Peak 6820 from nnoeabs.peaks (7.43, 7.96, 120.19 ppm; 6.57 A): 2 out of 2 assignments used, quality = 0.88: * H LEU 62 + H ASP 64 OK 80 100 - 80 - 4.2/6815=41, 3.6/1922=36...(7) HE22 GLN 104 + H ASP 64 OK 41 87 - 47 - 10078/4.3=18...(6) Peak 6822 from nnoeabs.peaks (8.20, 7.96, 120.19 ppm; 4.11 A): 1 out of 2 assignments used, quality = 0.96: * H VAL 63 + H ASP 64 OK 96 100 - 96 - 4.3=87, 4.0/2026=20...(9) H GLN 127 - H ASP 64 OK 33 96 - 35 - 2013/3.6=8, 2033/4.4=7...(7) Peak 6823 from nnoeabs.peaks (3.37, 7.96, 120.19 ppm; 5.44 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 63 + H ASP 64 OK 100 100 - 100 - 3.6=100 Peak 6824 from nnoeabs.peaks (2.02, 7.96, 120.19 ppm; 3.92 A): 3 out of 7 assignments used, quality = 0.94: * HB VAL 63 + H ASP 64 OK 88 100 - 88 - 4.5=67, 2.1/2032=26...(7) HB3 MET 11 + H ASP 64 OK 36 100 - 36 - 10651/4.4=21, 2015/3.6=7...(4) HG2 PRO 58 + H ASP 64 OK 24 92 - 26 - 1856/2.9=4, 3.8/6827=4...(10) HG2 ARG 90 - H ASP 64 lone 7 100 - 7 - 2029/4.3=2, 2015/3.6=1...(4) HB2 GLU 44 - H ASP 64 lone 4 99 - 4 - HB3 GLU 30 - H ASP 64 lone 4 99 - 4 - HB2 GLN 134 - H ASP 64 lone 3 100 - 3 - Peak 6825 from nnoeabs.peaks (0.78, 7.96, 120.19 ppm; 3.92 A): 2 out of 5 assignments used, quality = 0.95: * QG1 VAL 63 + H ASP 64 OK 92 100 - 92 - 4.3=75, 2.1/2026=28...(7) QD1 LEU 103 + H ASP 64 OK 39 100 - 39 - 11708/3.6=12, 2036/4.4=6...(8) QD1 ILE 37 - H ASP 64 OK 27 96 - 28 - 1112=4, 9411/2.9=4...(12) QD2 LEU 122 - H ASP 64 OK 11 96 - 12 - 9411/2.9=2, 2016/3.6=2...(6) QD1 ILE 32 - H ASP 64 OK 11 87 - 12 - 6813/4.3=3, 2016/3.6=3...(4) Peak 6826 from nnoeabs.peaks (0.91, 7.96, 120.19 ppm; 3.34 A): 2 out of 5 assignments used, quality = 0.80: * QG2 VAL 63 + H ASP 64 OK 73 100 - 73 - 4.4=45, 2.1/2026=20...(6) QD1 LEU 62 + H ASP 64 OK 26 98 - 26 - 2017/3.6=7, 6814/4.3=6...(6) QG1 VAL 20 - H ASP 64 lone 8 98 - 8 - ~9412=3, 2017/3.6=1...(4) QD1 LEU 49 - H ASP 64 lone 6 99 - 6 - 6814/4.3=2, 2017/3.6=2 QD2 LEU 48 - H ASP 64 lone 6 99 - 6 - 2017/3.6=1, 2031/4.3=1 Peak 6827 from nnoeabs.peaks (4.46, 7.96, 120.19 ppm; 4.01 A): 1 out of 4 assignments used, quality = 1.00: * HA ASP 64 + H ASP 64 OK 100 100 - 100 - 2.9=100 HA PRO 58 - H ASP 64 OK 21 96 - 22 - 6838/4.2=4, 3.8/6824=4...(7) HA SER 106 - H ASP 64 OK 13 100 - 12 - 6838/4.2=4, 2049/3.9=2...(6) HB THR 54 - H ASP 64 lone 3 92 - 3 - Peak 6828 from nnoeabs.peaks (2.75, 7.96, 120.19 ppm; 3.85 A): 1 out of 4 assignments used, quality = 0.99: * HB2 ASP 64 + H ASP 64 OK 99 100 - 99 - 3.9=99 HB3 ASP 35 - H ASP 64 OK 15 100 - 15 - 6839/4.2=5, 2041/2.9=4...(5) HB2 CYS 73 - H ASP 64 lone 4 98 - 4 - 2041/2.9=1 HB2 TYR 76 - H ASP 64 lone 2 73 - 3 - Peak 6829 from nnoeabs.peaks (2.80, 7.96, 120.19 ppm; 3.80 A): 1 out of 4 assignments used, quality = 0.98: * HB3 ASP 64 + H ASP 64 OK 98 100 - 98 - 3.9=96, 1.8/2048=35...(4) HB3 ASN 120 - H ASP 64 lone 8 100 - 7 - 2042/2.9=2, ~2042=1...(4) HB2 ASN 120 - H ASP 64 lone 8 100 - 7 - 2042/2.9=2, ~2042=1...(4) HB2 ASN 121 - H ASP 64 lone 5 98 - 5 - 2042/2.9=1, 6840/4.2=1 Peak 6830 from nnoeabs.peaks (8.38, 7.96, 120.19 ppm; 4.20 A): 1 out of 5 assignments used, quality = 0.99: * H THR 65 + H ASP 64 OK 99 100 - 99 - 4.2=99 H ASP 35 - H ASP 64 OK 17 87 - 19 - 2052/3.9=6, 2058/3.9=4...(5) H HIS 3 - H ASP 64 lone 5 100 - 5 - 2043/2.9=1, 2058/3.9=1 H GLN 27 - H ASP 64 lone 3 73 - 4 - H LYS 26 - H ASP 64 lone 1 57 - 2 - Peak 6831 from nnoeabs.peaks (8.90, 7.96, 120.19 ppm; 6.20 A): 2 out of 2 assignments used, quality = 0.76: * H GLY 66 + H ASP 64 OK 70 100 - 70 - 3.5/6837=46, 6848/3.6=44 H ASN 59 + H ASP 64 OK 19 73 - 26 - 2019/3.6=8, 3.6/6827=7...(6) Peak 6832 from nnoeabs.peaks (8.38, 8.38, 118.14 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H THR 65 + H THR 65 OK 100 100 - 100 Peak 6833 from nnoeabs.peaks (4.28, 8.38, 118.14 ppm; 3.97 A): 3 out of 15 assignments used, quality = 0.65: * HA GLN 61 + H THR 65 OK 55 100 - 55 - 1924/4.6=17, 1923/4.6=17...(8) HA LYS 36 + H THR 65 OK 11 87 - 13 - 3.0/6387=3, 3.6/6837=3...(5) HA LEU 22 + H THR 65 OK 11 96 - 12 - 4.0/9415=7, 2047/4.6=1 HA SER 74 - H THR 65 poor 8 57 - 13 - 3.0/6842=4, 3.0/6842=4...(4) HA ALA 109 - H THR 65 lone 7 96 - 8 - 6819/4.2=3, 2053/4.6=2 HA ALA 16 - H THR 65 lone 3 92 - 4 - HA ARG 23 - H THR 65 lone 3 92 - 4 - 10727/9415=1 HA LYS 31 - H THR 65 lone 3 96 - 3 - HA ALA 108 - H THR 65 lone 2 96 - 2 - HA ALA 110 - H THR 65 lone 2 98 - 2 - HA ALA 15 - H THR 65 lone 2 96 - 2 - HA ALA 21 - H THR 65 lone 1 65 - 2 - ~11812=1 HA ALA 12 - H THR 65 lone 1 96 - 1 - HB THR 115 - H THR 65 lone 1 81 - 2 - HA THR 25 - H THR 65 lone 1 57 - 1 - Peak 6834 from nnoeabs.peaks (3.85, 8.38, 118.14 ppm; 4.04 A): 1 out of 6 assignments used, quality = 0.69: * HA LEU 62 + H THR 65 OK 69 100 - 69 - 10997/4.0=18...(9) HA LEU 123 - H THR 65 lone 9 99 - 10 - 6847/3.5=4, 2067/4.0=2...(4) HB2 SER 50 - H THR 65 poor 8 73 - 11 - 3.9/6845=6, 6847/3.5=2 HB3 SER 33 - H THR 65 lone 4 87 - 4 - HA GLU 40 - H THR 65 lone 3 96 - 3 - HD2 PRO 81 - H THR 65 lone 3 87 - 3 - Peak 6835 from nnoeabs.peaks (8.20, 8.38, 118.14 ppm; 4.29 A): 2 out of 2 assignments used, quality = 0.81: * H VAL 63 + H THR 65 OK 75 100 - 75 - 4.3/6837=28, 3.6/6834=21...(11) H GLN 127 + H THR 65 OK 26 96 - 27 - 6822/4.2=6, 7812/2.9=5...(9) Peak 6836 from nnoeabs.peaks (3.37, 8.38, 118.14 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.96: * HA VAL 63 + H THR 65 OK 96 100 - 96 - 6848/3.5=48, 3.6/6837=46...(12) Peak 6837 from nnoeabs.peaks (7.96, 8.38, 118.14 ppm; 2.97 A): 1 out of 2 assignments used, quality = 0.63: * H ASP 64 + H THR 65 OK 63 100 - 63 - 4.2=35, 3.9/6839=13...(9) H ILE 37 - H THR 65 lone 6 73 - 8 - 2039/3.6=2, 3.6/6833=1...(4) Peak 6838 from nnoeabs.peaks (4.46, 8.38, 118.14 ppm; 4.01 A): 1 out of 4 assignments used, quality = 1.00: * HA ASP 64 + H THR 65 OK 100 100 - 100 - 3.6=100 HA PRO 58 - H THR 65 OK 25 96 - 26 - 1839/3.5=5, ~1847=4...(8) HA SER 106 - H THR 65 OK 24 100 - 24 - 3486/2.9=4, 3.0/6841=3...(12) HB THR 54 - H THR 65 lone 3 92 - 3 - Peak 6839 from nnoeabs.peaks (2.75, 8.38, 118.14 ppm; 2.98 A): 2 out of 4 assignments used, quality = 0.60: * HB2 ASP 64 + H THR 65 OK 55 100 - 55 - 4.6=27, 1.8/6840=23...(4) HB3 ASP 35 + H THR 65 OK 12 100 - 12 - 968=4, 2041/3.6=2...(7) HB2 CYS 73 - H THR 65 lone 2 98 - 2 - HB2 TYR 76 - H THR 65 lone 1 73 - 1 - Peak 6840 from nnoeabs.peaks (2.80, 8.38, 118.14 ppm; 3.47 A): 1 out of 4 assignments used, quality = 0.71: * HB3 ASP 64 + H THR 65 OK 71 100 - 72 - 4.6=43, 1.8/6839=33...(4) HB3 ASN 120 - H THR 65 lone 5 100 - 5 - 2042/3.6=2, 6829/4.2=1 HB2 ASN 120 - H THR 65 lone 5 100 - 5 - 2042/3.6=2, 6829/4.2=1 HB2 ASN 121 - H THR 65 lone 4 98 - 4 - 2042/3.6=1 Peak 6841 from nnoeabs.peaks (3.97, 8.38, 118.14 ppm; 3.71 A): 1 out of 9 assignments used, quality = 1.00: * HA THR 65 + H THR 65 OK 100 100 - 100 - 2.9=100 HA GLN 127 - H THR 65 OK 22 100 - 22 - 2.9/6835=6, 2074/4.0=3...(9) HB2 SER 106 - H THR 65 OK 18 96 - 19 - 3.0/6838=4, 2069/4.0=3...(9) HB3 SER 106 - H THR 65 OK 12 73 - 17 - 3.0/6838=4, 2069/4.0=2...(10) HA LEU 100 - H THR 65 poor 9 65 - 14 - 4.1/9417=7, 6852/3.5=3 HB3 SER 94 - H THR 65 lone 3 99 - 3 - HA3 GLY 17 - H THR 65 lone 2 65 - 2 - HA2 GLY 17 - H THR 65 lone 2 65 - 2 - HA GLU 91 - H THR 65 lone 1 57 - 2 - Peak 6842 from nnoeabs.peaks (4.07, 8.38, 118.14 ppm; 3.62 A): 3 out of 3 assignments used, quality = 0.83: * HB THR 65 + H THR 65 OK 78 100 - 78 - 4.0=72, 6853/3.5=15...(4) HB2 SER 74 + H THR 65 OK 14 99 - 14 - 2061/2.9=3, 6853/3.5=3...(6) HB3 SER 74 + H THR 65 OK 14 98 - 14 - 2061/2.9=3, 6853/3.5=2...(6) Peak 6843 from nnoeabs.peaks (1.23, 8.38, 118.14 ppm; 4.00 A): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 65 + H THR 65 OK 100 100 - 100 - 4.0=100 Peak 6844 from nnoeabs.peaks (8.90, 8.38, 118.14 ppm; 3.61 A): 1 out of 2 assignments used, quality = 1.00: * H GLY 66 + H THR 65 OK 100 100 - 100 - 3.5=100 H ASN 59 - H THR 65 OK 12 73 - 16 - 3.6/6838=3, 6831/4.2=2...(8) Peak 6845 from nnoeabs.peaks (8.65, 8.38, 118.14 ppm; 5.04 A): 2 out of 4 assignments used, quality = 0.89: * H HIS 67 + H THR 65 OK 80 100 - 80 - 6862=38, 6864/3.5=32...(10) H SER 50 + H THR 65 OK 44 98 - 45 - 9212/4.0=25, ~11812=9...(6) H SER 60 - H THR 65 poor 6 57 - 11 - 4.6/6844=4, 2044/3.6=3...(4) H HIS 8 - H THR 65 lone 5 100 - 5 - 2044/3.6=1, 6857/3.5=1 Peak 6846 from nnoeabs.peaks (8.90, 8.90, 110.50 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLY 66 + H GLY 66 OK 100 100 - 100 Peak 6847 from nnoeabs.peaks (3.85, 8.90, 110.50 ppm; 5.13 A): 3 out of 6 assignments used, quality = 0.86: * HA LEU 62 + H GLY 66 OK 79 100 - 79 - 6834/3.5=28...(8) HA LEU 123 + H GLY 66 OK 25 99 - 25 - 4.0/10351=17, 6834/3.5=4...(4) HB2 SER 50 + H GLY 66 OK 12 73 - 16 - 3.9/6857=8, 6834/3.5=3...(4) HB3 SER 33 - H GLY 66 lone 6 87 - 7 - 10863/9434=2, 6834/3.5=2 HA GLU 40 - H GLY 66 lone 4 96 - 4 - 6834/3.5=1 HD2 PRO 81 - H GLY 66 lone 4 87 - 5 - 6834/3.5=1, 1998/9435=1 Peak 6848 from nnoeabs.peaks (3.37, 8.90, 110.50 ppm; 4.71 A): 1 out of 1 assignment used, quality = 0.88: * HA VAL 63 + H GLY 66 OK 88 100 - 88 - 6860/4.1=36, 2019=29...(14) Peak 6851 from nnoeabs.peaks (8.38, 8.90, 110.50 ppm; 3.96 A): 1 out of 5 assignments used, quality = 1.00: * H THR 65 + H GLY 66 OK 100 100 - 100 - 3.5=100 H ASP 35 - H GLY 66 lone 6 87 - 7 - 2059/3.6=2, ~958=1, 6862/4.1=1 H HIS 3 - H GLY 66 lone 5 100 - 5 - 2059/3.6=1 H GLN 27 - H GLY 66 lone 2 73 - 3 - H LYS 26 - H GLY 66 lone 1 57 - 2 - Peak 6852 from nnoeabs.peaks (3.97, 8.90, 110.50 ppm; 4.66 A): 1 out of 9 assignments used, quality = 1.00: * HA THR 65 + H GLY 66 OK 100 100 - 100 - 3.6=100 HA LEU 100 - H GLY 66 OK 27 65 - 41 - 4.0/10045=20...(6) HA GLN 127 - H GLY 66 OK 21 100 - 22 - 6841/3.5=5, ~6835=4...(6) HB2 SER 106 - H GLY 66 OK 19 96 - 20 - 2069/4.5=5, 6841/3.5=4...(7) HB3 SER 106 - H GLY 66 OK 12 73 - 16 - 2069/4.5=3, 6841/3.5=3...(6) HB3 SER 94 - H GLY 66 lone 4 99 - 4 - HA3 GLY 17 - H GLY 66 lone 3 65 - 4 - 3266/10045=1 HA2 GLY 17 - H GLY 66 lone 3 65 - 4 - 3266/10045=1 HA GLU 91 - H GLY 66 lone 1 57 - 2 - Peak 6853 from nnoeabs.peaks (4.07, 8.90, 110.50 ppm; 4.25 A): 3 out of 3 assignments used, quality = 0.93: * HB THR 65 + H GLY 66 OK 90 100 - 90 - 4.5=86, 6842/3.5=24, 1970/6847=4 HB2 SER 74 + H GLY 66 OK 15 99 - 15 - 6842/3.5=4, 2061/3.6=4...(4) HB3 SER 74 + H GLY 66 OK 14 98 - 14 - 6842/3.5=4, 2061/3.6=4...(4) Peak 6854 from nnoeabs.peaks (1.23, 8.90, 110.50 ppm; 4.60 A): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 65 + H GLY 66 OK 100 100 - 100 - 4.4=100 Peak 6855 from nnoeabs.peaks (3.63, 8.90, 110.50 ppm; 3.49 A): 2 out of 3 assignments used, quality = 1.00: * HA2 GLY 66 + H GLY 66 OK 100 100 - 100 - 2.9=100 HA3 GLY 66 + H GLY 66 OK 92 92 - 100 - 2.9=100 HD2 PRO 58 - H GLY 66 OK 13 57 - 24 - 11028/4.4=3, 3.0/1847=3...(11) Peak 6856 from nnoeabs.peaks (3.63, 8.90, 110.50 ppm; 3.49 A): 2 out of 2 assignments used, quality = 1.00: * HA3 GLY 66 + H GLY 66 OK 100 100 - 100 - 2.9=100 HA2 GLY 66 + H GLY 66 OK 92 92 - 100 - 2.9=100 Peak 6857 from nnoeabs.peaks (8.65, 8.90, 110.50 ppm; 4.06 A): 1 out of 4 assignments used, quality = 0.99: * H HIS 67 + H GLY 66 OK 99 100 - 99 - 4.1=99 H SER 50 - H GLY 66 OK 31 98 - 31 - 9212/4.4=15, 6845/3.5=7...(8) H SER 60 - H GLY 66 lone 5 57 - 9 - 3.6/1872=1, 4.6/6748=1 H HIS 8 - H GLY 66 lone 4 100 - 4 - Peak 6859 from nnoeabs.peaks (8.65, 8.65, 120.06 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H HIS 67 + H HIS 67 OK 100 100 - 100 Peak 6860 from nnoeabs.peaks (3.37, 8.65, 120.06 ppm; 3.32 A): 0 out of 1 assignment used, low quality = 0.36: ! HA VAL 63 - H HIS 67 OK 36 100 - 36 - 6848/4.1=13, 4.9/2044=8...(8) Peak 6861 from nnoeabs.peaks (4.46, 8.65, 120.06 ppm; 5.04 A): 2 out of 4 assignments used, quality = 0.96: * HA ASP 64 + H HIS 67 OK 91 100 - 91 - 2044=37, 4.9/6860=33...(9) HA PRO 58 + H HIS 67 OK 62 96 - 65 - 9334=28, 2.3/9332=16...(11) HB THR 54 - H HIS 67 OK 22 92 - 24 - 1691/2.9=11, 2110/3.8=4...(5) HA SER 106 - H HIS 67 OK 15 100 - 15 - 6875/4.0=4, 2110/3.8=2...(5) Peak 6862 from nnoeabs.peaks (8.38, 8.65, 120.06 ppm; 5.22 A): 1 out of 5 assignments used, quality = 0.78: * H THR 65 + H HIS 67 OK 78 100 - 78 - 3.5/6864=34, 6845=29...(10) H ASP 35 - H HIS 67 lone 6 87 - 7 - 6851/4.1=2, 2043/2044=2 H HIS 3 - H HIS 67 lone 4 100 - 4 - 6851/4.1=2 H GLN 27 - H HIS 67 lone 2 73 - 3 - H LYS 26 - H HIS 67 lone 1 57 - 2 - Peak 6863 from nnoeabs.peaks (3.97, 8.65, 120.06 ppm; 6.31 A): 3 out of 9 assignments used, quality = 0.97: * HA THR 65 + H HIS 67 OK 89 100 - 89 - 3.6/6864=39, 2.9/6862=39...(9) HA GLN 127 + H HIS 67 OK 56 100 - 57 - 11605/2.9=29...(8) HA LEU 100 + H HIS 67 OK 45 65 - 69 - 4.0/11037=44...(8) HB2 SER 106 - H HIS 67 OK 17 96 - 18 - 6852/4.1=4, 3.0/6861=4...(5) HB3 SER 106 - H HIS 67 OK 10 73 - 14 - 3.0/6861=4, 6852/4.1=3...(4) HB3 SER 94 - H HIS 67 lone 7 99 - 7 - 6876/4.0=2 HA GLU 91 - H HIS 67 lone 4 57 - 7 - 3.9/9452=2, 6876/4.0=1 HA2 GLY 17 - H HIS 67 lone 4 65 - 6 - 3266/11037=1, 3258/9461=1 HA3 GLY 17 - H HIS 67 lone 4 65 - 6 - 3266/11037=1, 3258/9461=1 Peak 6864 from nnoeabs.peaks (8.90, 8.65, 120.06 ppm; 3.80 A): 2 out of 2 assignments used, quality = 0.92: * H GLY 66 + H HIS 67 OK 90 100 - 90 - 4.1=82, 3.5/6862=14...(10) H ASN 59 + H HIS 67 OK 22 73 - 30 - 3.6/9334=11, 4.3/9332=7...(8) Peak 6865 from nnoeabs.peaks (3.63, 8.65, 120.06 ppm; 4.09 A): 2 out of 3 assignments used, quality = 1.00: * HA2 GLY 66 + H HIS 67 OK 100 100 - 100 - 3.6=100 HA3 GLY 66 + H HIS 67 OK 92 92 - 100 - 3.6=100 HD2 PRO 58 - H HIS 67 OK 17 57 - 29 - 3.6/9334=14, 3.0/9332=10...(4) Peak 6866 from nnoeabs.peaks (3.63, 8.65, 120.06 ppm; 4.09 A): 2 out of 2 assignments used, quality = 1.00: * HA3 GLY 66 + H HIS 67 OK 100 100 - 100 - 3.6=100 HA2 GLY 66 + H HIS 67 OK 92 92 - 100 - 3.6=100 Peak 6867 from nnoeabs.peaks (4.22, 8.65, 120.06 ppm; 3.97 A): 1 out of 6 assignments used, quality = 1.00: * HA HIS 67 + H HIS 67 OK 100 100 - 100 - 2.9=100 HA SER 51 - H HIS 67 OK 27 100 - 28 - 3.0/6633=6, 3.6/6645=5...(10) HA SER 99 - H HIS 67 OK 22 100 - 22 - 6881/4.0=3, 2112/3.8=3...(11) HB3 SER 38 - H HIS 67 lone 6 92 - 7 - 2112/3.8=2, 2104/3.8=1 HA ALA 34 - H HIS 67 lone 3 81 - 4 - 3.6/6862=1 HA GLU 30 - H HIS 67 lone 2 73 - 2 - Peak 6868 from nnoeabs.peaks (3.34, 8.65, 120.06 ppm; 3.30 A): 2 out of 3 assignments used, quality = 0.87: * HB2 HIS 67 + H HIS 67 OK 83 100 - 83 - 3.8=67, 1.8/6869=28...(6) HB3 TYR 72 + H HIS 67 OK 22 99 - 23 - 2094/2.9=6, 2.7/6870=5...(6) HB3 PHE 89 - H HIS 67 lone 2 65 - 2 - Peak 6869 from nnoeabs.peaks (3.41, 8.65, 120.06 ppm; 3.41 A): 2 out of 2 assignments used, quality = 0.89: * HB3 HIS 67 + H HIS 67 OK 87 100 - 87 - 3.8=73, 1.8/6868=29...(5) HA LYS 39 + H HIS 67 OK 16 99 - 16 - 2095/2.9=7, 2106/3.8=4...(5) Peak 6870 from nnoeabs.peaks (7.15, 8.65, 120.06 ppm; 4.63 A): 2 out of 2 assignments used, quality = 0.89: * HD2 HIS 67 + H HIS 67 OK 83 100 - 83 - 6.2=41, 4.0/6869=29...(9) QD TYR 72 + H HIS 67 OK 37 96 - 39 - 2096/2.9=12, 2.7/6868=9...(7) Peak 6872 from nnoeabs.peaks (7.86, 8.65, 120.06 ppm; 3.44 A): 1 out of 2 assignments used, quality = 0.82: * H GLN 68 + H HIS 67 OK 82 100 - 82 - 4.0=63, 6883/3.8=15...(13) H ALA 88 - H HIS 67 lone 7 87 - 8 - 2098/2.9=3, 2117/3.8=2 Peak 6873 from nnoeabs.peaks (8.30, 8.65, 120.06 ppm; 5.46 A): 3 out of 7 assignments used, quality = 0.95: * H LEU 69 + H HIS 67 OK 85 100 - 85 - 4.0/6872=40, 6915=28...(10) H LEU 49 + H HIS 67 OK 56 96 - 59 - 5.0/9460=24, 2.9/1543=11...(10) H SER 99 + H HIS 67 OK 19 81 - 23 - 2.9/6867=6, 7382/2.9=4...(6) H ALA 110 - H HIS 67 lone 8 99 - 8 - 6893/4.0=3, 1572/9460=2 H VAL 126 - H HIS 67 lone 7 73 - 9 - 4.0/11601=3, 6893/4.0=1 H GLY 111 - H HIS 67 lone 6 96 - 6 - 6893/4.0=2, 1572/9460=1 H ALA 21 - H HIS 67 lone 5 65 - 8 - 1572/9460=2, 6893/4.0=2 Peak 6874 from nnoeabs.peaks (7.86, 7.86, 121.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLN 68 + H GLN 68 OK 100 100 - 100 Peak 6875 from nnoeabs.peaks (4.46, 7.86, 121.44 ppm; 5.16 A): 4 out of 4 assignments used, quality = 0.87: * HA ASP 64 + H GLN 68 OK 71 100 - 71 - 2046/4.4=29, 2045/4.4=28...(4) HA PRO 58 + H GLN 68 OK 34 96 - 35 - 9334/4.0=19, 2110/4.4=6...(6) HB THR 54 + H GLN 68 OK 20 92 - 22 - 1691/3.6=10, 2110/4.4=4...(4) HA SER 106 + H GLN 68 OK 18 100 - 18 - 11460/4.0=5, 3.0/6876=3...(7) Peak 6876 from nnoeabs.peaks (3.97, 7.86, 121.44 ppm; 3.52 A): 2 out of 9 assignments used, quality = 0.74: * HA THR 65 + H GLN 68 OK 61 100 - 61 - 2066/3.7=18, 2064=15...(10) HA GLN 127 + H GLN 68 OK 32 100 - 33 - 11605/3.6=11, 2130/3.7=7...(9) HB2 SER 106 - H GLN 68 lone 7 96 - 7 - 3.0/6875=2 HA LEU 100 - H GLN 68 lone 6 65 - 9 - 4.9/6881=2, 6863/4.0=2...(5) HB3 SER 106 - H GLN 68 lone 4 73 - 6 - 3.0/6875=2 HB3 SER 94 - H GLN 68 lone 4 99 - 4 - 2130/3.7=1 HA GLU 91 - H GLN 68 lone 3 57 - 5 - 3.9/6889=2, 2130/3.7=1 HA2 GLY 17 - H GLN 68 lone 1 65 - 1 - HA3 GLY 17 - H GLN 68 lone 1 65 - 1 - Peak 6877 from nnoeabs.peaks (8.90, 7.86, 121.44 ppm; 5.21 A): 2 out of 2 assignments used, quality = 0.77: * H GLY 66 + H GLN 68 OK 73 100 - 73 - 4.1/6872=37, 3.6/2064=29...(6) H ASN 59 + H GLN 68 OK 14 73 - 19 - 6864/4.0=8, 3.6/6875=7...(4) Peak 6878 from nnoeabs.peaks (3.63, 7.86, 121.44 ppm; 6.80 A): 2 out of 3 assignments used, quality = 0.97: * HA2 GLY 66 + H GLN 68 OK 85 100 - 85 - 3.6/6872=46, 2.9/6877=40...(5) HA3 GLY 66 + H GLN 68 OK 78 92 - 85 - 3.6/6872=46, 2.9/6877=40...(5) HD2 PRO 58 - H GLN 68 OK 14 57 - 24 - 3.6/6875=11...(5) Peak 6879 from nnoeabs.peaks (3.63, 7.86, 121.44 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.97: * HA3 GLY 66 + H GLN 68 OK 85 100 - 85 - 3.6/6872=46, 2.9/6877=40...(5) HA2 GLY 66 + H GLN 68 OK 78 92 - 85 - 3.6/6872=46, 2.9/6877=40...(5) Peak 6880 from nnoeabs.peaks (8.65, 7.86, 121.44 ppm; 3.51 A): 2 out of 4 assignments used, quality = 0.89: * H HIS 67 + H GLN 68 OK 85 100 - 85 - 4.0=67, 3.8/6883=16...(13) H SER 50 + H GLN 68 OK 30 98 - 31 - 2092/3.6=5, 2.9/6886=5...(12) H HIS 8 - H GLN 68 lone 4 100 - 4 - H SER 60 - H GLN 68 lone 2 57 - 4 - 4.6/6877=2 Peak 6881 from nnoeabs.peaks (4.22, 7.86, 121.44 ppm; 3.63 A): 1 out of 6 assignments used, quality = 1.00: * HA HIS 67 + H GLN 68 OK 100 100 - 100 - 3.6=100 HA SER 99 - H GLN 68 OK 18 100 - 18 - 6916/4.0=4, 6867/4.0=3...(8) HA SER 51 - H GLN 68 OK 16 100 - 16 - 6867/4.0=3, 6916/4.0=3...(7) HB3 SER 38 - H GLN 68 lone 4 92 - 5 - 2112/4.4=1 HA GLU 30 - H GLN 68 lone 2 73 - 3 - HA ALA 34 - H GLN 68 lone 2 81 - 2 - Peak 6882 from nnoeabs.peaks (3.34, 7.86, 121.44 ppm; 3.92 A): 2 out of 3 assignments used, quality = 0.87: * HB2 HIS 67 + H GLN 68 OK 85 100 - 85 - 4.4=69, 1.8/6883=30...(4) HB3 TYR 72 + H GLN 68 OK 18 99 - 18 - 2094/3.6=8, 6868/4.0=6 HB3 PHE 89 - H GLN 68 lone 4 65 - 5 - 3.5/7193=2 Peak 6883 from nnoeabs.peaks (3.41, 7.86, 121.44 ppm; 4.02 A): 2 out of 2 assignments used, quality = 0.90: * HB3 HIS 67 + H GLN 68 OK 88 100 - 88 - 4.4=74, 1.8/6882=31...(4) HA LYS 39 + H GLN 68 OK 17 99 - 17 - 2095/3.6=8, 2106/4.4=5 Peak 6886 from nnoeabs.peaks (3.99, 7.86, 121.44 ppm; 3.53 A): 1 out of 4 assignments used, quality = 1.00: * HA GLN 68 + H GLN 68 OK 100 100 - 100 - 2.9=100 HA SER 50 - H GLN 68 OK 26 98 - 27 - 2.9/6880=7, 6918/4.0=4...(10) HA VAL 20 - H GLN 68 OK 16 98 - 16 - 2132/3.7=3, 2142/3.7=3...(5) HB2 SER 124 - H GLN 68 OK 16 99 - 16 - 2132/3.7=3, 2142/3.7=3...(6) Peak 6887 from nnoeabs.peaks (2.22, 7.86, 121.44 ppm; 3.16 A): 2 out of 6 assignments used, quality = 0.91: * HB2 GLN 68 + H GLN 68 OK 89 100 - 89 - 3.7=60, 1.8/6888=32...(14) HB3 GLN 127 + H GLN 68 OK 17 81 - 22 - 3.0/6876=6, 11036/3.6=4...(9) HB3 GLN 104 - H GLN 68 lone 9 98 - 10 - 2120/2.9=2, 2143/3.7=1...(4) HB3 GLU 128 - H GLN 68 poor 9 87 - 10 - 6919/4.0=2, 2120/2.9=2...(4) HB3 GLU 97 - H GLN 68 lone 8 98 - 8 - 2120/2.9=2, 2143/3.7=1 HG2 GLU 91 - H GLN 68 lone 5 73 - 7 - Peak 6888 from nnoeabs.peaks (2.18, 7.86, 121.44 ppm; 3.32 A): 1 out of 1 assignment used, quality = 0.92: * HB3 GLN 68 + H GLN 68 OK 92 100 - 92 - 3.7=70, 1.8/2131=26...(12) Peak 6889 from nnoeabs.peaks (2.23, 7.86, 121.44 ppm; 3.16 A): 2 out of 7 assignments used, quality = 0.83: * HG2 GLN 68 + H GLN 68 OK 79 100 - 79 - 5.1=24, 3.0/6888=23...(10) HB3 GLN 127 + H GLN 68 OK 19 92 - 21 - 3.0/6876=6, 2122/2.9=3...(7) HB3 LEU 96 - H GLN 68 lone 9 92 - 10 - ~11040=2, 2122/2.9=2...(5) HB3 GLU 102 - H GLN 68 lone 9 99 - 9 - 3340/3.6=3, 2122/2.9=1 HG2 GLU 91 - H GLN 68 lone 9 96 - 9 - 2122/2.9=2, 2135/3.7=1...(5) HB3 GLU 128 - H GLN 68 lone 8 87 - 9 - 6921/4.0=2, 2122/2.9=2...(4) HB3 GLN 104 - H GLN 68 lone 3 65 - 5 - Peak 6890 from nnoeabs.peaks (2.32, 7.86, 121.44 ppm; 3.74 A): 2 out of 4 assignments used, quality = 0.92: * HG3 GLN 68 + H GLN 68 OK 90 100 - 90 - 5.1=40, 3.0/6888=32...(10) HB3 GLN 134 + H GLN 68 OK 14 87 - 16 - 2123/2.9=4, 2146/3.7=3...(6) HG3 GLU 30 - H GLN 68 lone 5 73 - 6 - 2123/2.9=1 HG2 GLU 40 - H GLN 68 lone 3 65 - 5 - Peak 6893 from nnoeabs.peaks (8.30, 7.86, 121.44 ppm; 3.71 A): 2 out of 7 assignments used, quality = 0.95: * H LEU 69 + H GLN 68 OK 93 100 - 93 - 4.0=77, 6920/3.7=24...(11) H LEU 49 + H GLN 68 OK 27 96 - 28 - 3.2/6880=7, 6609/4.0=4...(10) H SER 99 - H GLN 68 OK 13 81 - 16 - 2.9/6881=4, 2126/2.9=2...(8) H ALA 110 - H GLN 68 OK 10 99 - 10 - 2126/2.9=2, ~11040=2...(6) H ALA 21 - H GLN 68 lone 6 65 - 9 - 3.6/6886=3, 2126/2.9=1 H GLY 111 - H GLN 68 lone 6 96 - 6 - 2126/2.9=1 H VAL 126 - H GLN 68 lone 5 73 - 6 - 2139/3.7=2, 2126/2.9=1 Peak 6894 from nnoeabs.peaks (8.46, 7.86, 121.44 ppm; 4.87 A): 1 out of 3 assignments used, quality = 0.90: * H LEU 70 + H GLN 68 OK 90 100 - 90 - 6937=41, 3.6/6917=29...(12) H VAL 132 - H GLN 68 poor 8 81 - 10 - 2099/3.6=4, 6931/4.0=4 H ASP 47 - H GLN 68 lone 6 73 - 9 - 6931/4.0=5, 2099/3.6=1 Peak 6895 from nnoeabs.peaks (6.86, 6.86, 112.26 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 68 + HE21 GLN 68 OK 100 100 - 100 Peak 6896 from nnoeabs.peaks (7.86, 6.86, 112.26 ppm; 4.31 A): 2 out of 2 assignments used, quality = 0.93: * H GLN 68 + HE21 GLN 68 OK 89 100 - 89 - 6888/4.6=27, 6.7=27...(11) H ALA 88 + HE21 GLN 68 OK 39 87 - 45 - 4.3/11043=15, 2159/3.5=8...(8) Peak 6897 from nnoeabs.peaks (3.99, 6.86, 112.26 ppm; 5.02 A): 1 out of 4 assignments used, quality = 1.00: * HA GLN 68 + HE21 GLN 68 OK 100 100 - 100 - 5.2=89, 3.0/6899=39...(19) HB2 SER 124 - HE21 GLN 68 OK 27 99 - 27 - 2151/3.5=6, 2160/3.5=5...(8) HA SER 50 - HE21 GLN 68 OK 24 98 - 25 - 2151/3.5=5, 2160/3.5=5...(7) HA VAL 20 - HE21 GLN 68 OK 22 98 - 22 - 2151/3.5=5, 2160/3.5=4...(7) Peak 6898 from nnoeabs.peaks (2.22, 6.86, 112.26 ppm; 3.64 A): 1 out of 6 assignments used, quality = 0.94: * HB2 GLN 68 + HE21 GLN 68 OK 94 100 - 94 - 4.6=50, 1.8/6899=27...(15) HB3 GLN 127 - HE21 GLN 68 OK 14 81 - 18 - 2152/3.5=4, 2161/3.5=3...(9) HB3 GLN 104 - HE21 GLN 68 OK 10 98 - 10 - 2152/3.5=2, 2161/3.5=2...(5) HB3 GLU 128 - HE21 GLN 68 poor 9 87 - 10 - 2152/3.5=2, 2161/3.5=2...(5) HB3 GLU 97 - HE21 GLN 68 lone 8 98 - 8 - 2152/3.5=2, 2161/3.5=2...(4) HG2 GLU 91 - HE21 GLN 68 lone 7 73 - 9 - 2152/3.5=2, 6906/1.7=1...(4) Peak 6899 from nnoeabs.peaks (2.18, 6.86, 112.26 ppm; 4.37 A): 1 out of 1 assignment used, quality = 0.99: * HB3 GLN 68 + HE21 GLN 68 OK 99 100 - 99 - 4.6=86, 2162/3.5=40...(16) Peak 6900 from nnoeabs.peaks (2.23, 6.86, 112.26 ppm; 3.64 A): 1 out of 7 assignments used, quality = 1.00: * HG2 GLN 68 + HE21 GLN 68 OK 100 100 - 100 - 3.5=100 HB3 GLN 127 - HE21 GLN 68 OK 17 92 - 18 - 2163/3.5=3, 2135/4.6=3...(9) HB3 LEU 96 - HE21 GLN 68 OK 13 92 - 15 - ~3069=2, 2163/3.5=2...(10) HG2 GLU 91 - HE21 GLN 68 OK 11 96 - 11 - 2163/3.5=2, 6908/1.7=2...(6) HB3 GLU 128 - HE21 GLN 68 lone 8 87 - 9 - 2145/4.6=1, 2135/4.6=1 HB3 GLU 102 - HE21 GLN 68 lone 7 99 - 7 - 2163/3.5=1 HB3 GLN 104 - HE21 GLN 68 lone 4 65 - 6 - Peak 6901 from nnoeabs.peaks (2.32, 6.86, 112.26 ppm; 3.51 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLN 68 + HE21 GLN 68 OK 100 100 - 100 - 3.5=100 HB3 GLN 134 - HE21 GLN 68 OK 13 87 - 15 - 2155/3.5=3, 6909/1.7=3...(5) HG3 GLU 30 - HE21 GLN 68 lone 3 73 - 4 - HG2 GLU 40 - HE21 GLN 68 lone 3 65 - 5 - Peak 6902 from nnoeabs.peaks (7.76, 6.86, 112.26 ppm; 2.69 A): 1 out of 3 assignments used, quality = 1.00: * HE22 GLN 68 + HE21 GLN 68 OK 100 100 - 100 - 1.7=100 H VAL 118 - HE21 GLN 68 lone 6 92 - 6 - 2157/3.5=1, 2138/4.6=1...(4) H GLU 55 - HE21 GLN 68 lone 1 73 - 2 - Peak 6903 from nnoeabs.peaks (7.76, 7.76, 112.26 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 68 + HE22 GLN 68 OK 100 100 - 100 Peak 6904 from nnoeabs.peaks (7.86, 7.76, 112.26 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * H GLN 68 + HE22 GLN 68 OK 100 100 - 100 - 6.7=100 H ALA 88 + HE22 GLN 68 OK 50 87 - 57 - 6896/1.7=15, 2150/3.5=13...(6) Peak 6905 from nnoeabs.peaks (3.99, 7.76, 112.26 ppm; 6.80 A): 1 out of 4 assignments used, quality = 1.00: * HA GLN 68 + HE22 GLN 68 OK 100 100 - 100 - 5.2=100 HB2 SER 124 - HE22 GLN 68 OK 37 99 - 37 - 6897/1.7=8, 2151/3.5=7...(7) HA SER 50 - HE22 GLN 68 OK 34 98 - 35 - 6897/1.7=7, 2142/4.6=7...(6) HA VAL 20 - HE22 GLN 68 OK 32 98 - 32 - 6897/1.7=6, 2142/4.6=6...(7) Peak 6906 from nnoeabs.peaks (2.22, 7.76, 112.26 ppm; 6.80 A): 1 out of 6 assignments used, quality = 1.00: * HB2 GLN 68 + HE22 GLN 68 OK 100 100 - 100 - 4.6=100 HB3 GLN 127 - HE22 GLN 68 OK 34 81 - 43 - 2120/5.2=6, 2152/3.5=6...(11) HB3 GLN 104 - HE22 GLN 68 OK 26 98 - 26 - 2120/5.2=4, 6898/1.7=4...(11) HG2 GLU 91 - HE22 GLN 68 OK 24 73 - 33 - 4.7/11044=12, ~2865=4...(11) HB3 GLU 128 - HE22 GLN 68 OK 22 87 - 25 - 2120/5.2=3, 6898/1.7=3...(11) HB3 GLU 97 - HE22 GLN 68 OK 18 98 - 18 - 2120/5.2=3, 2143/4.6=3...(6) Peak 6907 from nnoeabs.peaks (2.18, 7.76, 112.26 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 68 + HE22 GLN 68 OK 100 100 - 100 - 4.6=100 Peak 6908 from nnoeabs.peaks (2.23, 7.76, 112.26 ppm; 6.80 A): 1 out of 7 assignments used, quality = 1.00: * HG2 GLN 68 + HE22 GLN 68 OK 100 100 - 100 - 3.5=100 HB3 GLN 127 - HE22 GLN 68 OK 40 92 - 45 - 2145/4.6=6, 2135/4.6=6...(11) HB3 LEU 96 - HE22 GLN 68 OK 37 92 - 40 - ~3069=7, ~3086=5...(11) HG2 GLU 91 - HE22 GLN 68 OK 35 96 - 36 - 4.7/11044=12, ~2865=4...(11) HB3 GLU 128 - HE22 GLN 68 OK 21 87 - 24 - 2122/5.2=3, 2145/4.6=3...(11) HB3 GLU 102 - HE22 GLN 68 OK 20 99 - 20 - 2122/5.2=3, 6889/6.7=3...(10) HB3 GLN 104 - HE22 GLN 68 OK 12 65 - 17 - 2135/4.6=2, 2120/5.2=2...(10) Peak 6909 from nnoeabs.peaks (2.32, 7.76, 112.26 ppm; 6.80 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLN 68 + HE22 GLN 68 OK 100 100 - 100 - 3.5=100 HB3 GLN 134 - HE22 GLN 68 OK 34 87 - 39 - 2146/4.6=6, 2123/5.2=6...(10) HG2 GLU 40 - HE22 GLN 68 OK 10 65 - 15 - ~1251=2, ~1258=2...(8) HG3 GLU 30 - HE22 GLN 68 poor 10 73 - 13 - 2123/5.2=2, 2146/4.6=2...(6) Peak 6910 from nnoeabs.peaks (6.86, 7.76, 112.26 ppm; 3.02 A): 1 out of 2 assignments used, quality = 1.00: * HE21 GLN 68 + HE22 GLN 68 OK 100 100 - 100 - 1.7=100 HE21 GLN 27 - HE22 GLN 68 lone 5 73 - 6 - 2156/3.5=1, 2165/3.5=1 Peak 6911 from nnoeabs.peaks (8.30, 8.30, 120.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 69 + H LEU 69 OK 100 100 - 100 Peak 6912 from nnoeabs.peaks (3.97, 8.30, 120.25 ppm; 4.66 A): 3 out of 9 assignments used, quality = 0.84: * HA THR 65 + H LEU 69 OK 72 100 - 72 - 2066/4.4=27, 2064/4.0=21...(8) HA GLN 127 + H LEU 69 OK 37 100 - 38 - 2130/4.4=9, 6876/4.0=9...(10) HA LEU 100 + H LEU 69 OK 11 65 - 16 - 4.9/6916=5, 2.9/7392=2...(6) HB2 SER 106 - H LEU 69 lone 10 96 - 10 - 3.0/11460=3, 6876/4.0=2...(4) HB3 SER 106 - H LEU 69 poor 8 73 - 11 - 3.0/11460=3, 10095/4.3=1 HB3 SER 94 - H LEU 69 lone 6 99 - 6 - 2130/4.4=2, 2140/4.4=1 HA GLU 91 - H LEU 69 lone 5 57 - 8 - 3.9/6921=3, 2130/4.4=1 HA2 GLY 17 - H LEU 69 lone 2 65 - 3 - HA3 GLY 17 - H LEU 69 lone 2 65 - 3 - Peak 6913 from nnoeabs.peaks (3.63, 8.30, 120.25 ppm; 5.71 A): 2 out of 3 assignments used, quality = 0.85: * HA2 GLY 66 + H LEU 69 OK 64 100 - 64 - 3.6/6915=19, 4.9/6916=19...(7) HA3 GLY 66 + H LEU 69 OK 58 92 - 63 - 3.6/6915=19, 4.9/6916=19...(7) HD2 PRO 58 - H LEU 69 poor 7 57 - 12 - 11028/11068=4...(5) Peak 6914 from nnoeabs.peaks (3.63, 8.30, 120.25 ppm; 5.71 A): 2 out of 2 assignments used, quality = 0.85: * HA3 GLY 66 + H LEU 69 OK 65 100 - 65 - 3.6/6915=19, 4.9/6916=19...(7) HA2 GLY 66 + H LEU 69 OK 58 92 - 63 - 3.6/6915=19, 4.9/6916=19...(7) Peak 6915 from nnoeabs.peaks (8.65, 8.30, 120.25 ppm; 5.37 A): 2 out of 4 assignments used, quality = 0.92: * H HIS 67 + H LEU 69 OK 83 100 - 83 - 6872/4.0=39, 2.9/6916=24...(10) H SER 50 + H LEU 69 OK 56 98 - 58 - 6880/4.0=10, 2.9/6918=10...(15) H SER 60 - H LEU 69 lone 6 57 - 10 - 3.6/6925=5, 6737/2.9=1 H HIS 8 - H LEU 69 lone 5 100 - 5 - 6880/4.0=2 Peak 6916 from nnoeabs.peaks (4.22, 8.30, 120.25 ppm; 4.05 A): 3 out of 6 assignments used, quality = 0.74: * HA HIS 67 + H LEU 69 OK 60 100 - 60 - 3.6/6917=22, 2099/3.6=20...(9) HA SER 99 + H LEU 69 OK 23 100 - 23 - 6936/3.6=5, 3200=5...(9) HA SER 51 + H LEU 69 OK 17 100 - 17 - 3.0/6631=5, 6936/3.6=4...(4) HB3 SER 38 - H LEU 69 lone 5 92 - 6 - 3.9/9029=1, 9042/9061=1 HA ALA 34 - H LEU 69 lone 4 81 - 4 - 10873/11056=1 HA GLU 30 - H LEU 69 lone 3 73 - 4 - 3.8/6922=1 Peak 6917 from nnoeabs.peaks (7.86, 8.30, 120.25 ppm; 3.98 A): 1 out of 2 assignments used, quality = 0.99: * H GLN 68 + H LEU 69 OK 99 100 - 99 - 4.0=95, 3.7/6920=27...(12) H ALA 88 - H LEU 69 OK 23 87 - 27 - 2118/3.6=7, 2141/4.4=6...(8) Peak 6918 from nnoeabs.peaks (3.99, 8.30, 120.25 ppm; 4.52 A): 1 out of 4 assignments used, quality = 1.00: * HA GLN 68 + H LEU 69 OK 100 100 - 100 - 3.6=100 HA SER 50 - H LEU 69 OK 45 98 - 46 - 2.9/6915=9, 6938/3.6=9...(12) HA VAL 20 - H LEU 69 OK 24 98 - 24 - 2142/4.4=4, 2132/4.4=4...(7) HB2 SER 124 - H LEU 69 OK 22 99 - 22 - 2132/4.4=4, 2142/4.4=4...(7) Peak 6919 from nnoeabs.peaks (2.22, 8.30, 120.25 ppm; 3.65 A): 4 out of 6 assignments used, quality = 0.92: * HB2 GLN 68 + H LEU 69 OK 85 100 - 85 - 4.4=56, 1.8/6920=37...(8) HB3 GLU 128 + H LEU 69 OK 22 87 - 26 - 11625/4.9=9, ~11628=8...(5) HB3 GLN 127 + H LEU 69 OK 16 81 - 20 - 3.0/6912=5, 2120/3.6=3...(6) HB3 GLN 104 + H LEU 69 OK 12 98 - 12 - 2120/3.6=2, 6887/4.0=2...(4) HB3 GLU 97 - H LEU 69 lone 9 98 - 9 - 2120/3.6=2, 2143/4.4=1...(5) HG2 GLU 91 - H LEU 69 lone 6 73 - 8 - 9913/4.9=2 Peak 6920 from nnoeabs.peaks (2.18, 8.30, 120.25 ppm; 3.59 A): 1 out of 1 assignment used, quality = 0.83: * HB3 GLN 68 + H LEU 69 OK 83 100 - 84 - 4.4=53, 6888/4.0=22...(9) Peak 6921 from nnoeabs.peaks (2.23, 8.30, 120.25 ppm; 3.65 A): 5 out of 7 assignments used, quality = 0.88: * HG2 GLN 68 + H LEU 69 OK 75 100 - 75 - 3.0/6920=28, 1.8/6922=17...(9) HB3 GLU 128 + H LEU 69 OK 22 87 - 25 - 11625/4.9=9, ~11628=8...(6) HB3 GLN 127 + H LEU 69 OK 19 92 - 21 - 3.0/6912=5, 2122/3.6=4...(5) HB3 LEU 96 + H LEU 69 OK 13 92 - 14 - 3.2/11056=4, 2122/3.6=2...(6) HG2 GLU 91 + H LEU 69 OK 12 96 - 13 - 9913/4.9=4, 2122/3.6=2...(5) HB3 GLU 102 - H LEU 69 lone 9 99 - 9 - 6889/4.0=2, 2122/3.6=2 HB3 GLN 104 - H LEU 69 lone 4 65 - 7 - ~11629=1 Peak 6922 from nnoeabs.peaks (2.32, 8.30, 120.25 ppm; 4.71 A): 2 out of 4 assignments used, quality = 0.92: * HG3 GLN 68 + H LEU 69 OK 90 100 - 90 - 3.0/6920=42, 2123/3.6=29...(7) HB3 GLN 134 + H LEU 69 OK 16 87 - 19 - 2123/3.6=5, 2146/4.4=4...(6) HG3 GLU 30 - H LEU 69 lone 6 73 - 7 - 2123/3.6=2, 6890/4.0=1...(4) HG2 GLU 40 - H LEU 69 lone 5 65 - 7 - 2123/3.6=1, 9009/11056=1...(4) Peak 6923 from nnoeabs.peaks (6.86, 8.30, 120.25 ppm; 5.93 A): 2 out of 2 assignments used, quality = 0.90: * HE21 GLN 68 + H LEU 69 OK 89 100 - 89 - 4.6/6920=42, 3.5/6922=32...(7) HE21 GLN 27 + H LEU 69 OK 13 73 - 17 - 2124/3.6=5, 2137/4.4=5...(4) Peak 6925 from nnoeabs.peaks (4.33, 8.30, 120.25 ppm; 3.74 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 69 + H LEU 69 OK 100 100 - 100 - 2.9=100 HA ASN 59 - H LEU 69 OK 15 98 - 15 - 2208/4.3=2, 2182/3.7=2...(9) HA LYS 24 - H LEU 69 OK 12 96 - 13 - 2208/4.3=2, 2216/4.9=2...(6) HA PRO 81 - H LEU 69 lone 6 87 - 7 - 6940/3.6=1 Peak 6926 from nnoeabs.peaks (1.67, 8.30, 120.25 ppm; 3.87 A): 1 out of 10 assignments used, quality = 1.00: * HB2 LEU 69 + H LEU 69 OK 100 100 - 100 - 3.7=100 HD2 LYS 36 - H LEU 69 OK 17 100 - 17 - 2209/4.3=3, 2170/2.9=3...(7) HD3 LYS 36 - H LEU 69 OK 17 100 - 17 - 2209/4.3=3, 2170/2.9=3...(7) HD2 LYS 24 - H LEU 69 poor 8 73 - 11 - 5.4/6925=1, 2170/2.9=1...(4) QB ALA 88 - H LEU 69 lone 7 73 - 10 - 3.0/6917=5 HD2 LYS 39 - H LEU 69 poor 7 65 - 10 - 6941/3.6=3, 2209/4.3=2...(6) HD3 LYS 24 - H LEU 69 poor 7 65 - 10 - 5.4/6925=1, 2170/2.9=1 HD2 LYS 31 - H LEU 69 lone 5 73 - 7 - HD3 LYS 31 - H LEU 69 lone 4 65 - 7 - HD2 LYS 26 - H LEU 69 lone 2 65 - 2 - Peak 6927 from nnoeabs.peaks (2.16, 8.30, 120.25 ppm; 3.59 A): 1 out of 1 assignment used, quality = 0.97: * HB3 LEU 69 + H LEU 69 OK 97 100 - 97 - 3.7=94, 6942/3.6=20...(6) Peak 6928 from nnoeabs.peaks (1.51, 8.30, 120.25 ppm; 4.68 A): 1 out of 2 assignments used, quality = 0.95: * HG LEU 69 + H LEU 69 OK 95 100 - 95 - 5.2=74, 2.9/6927=42...(7) HB2 LEU 53 - H LEU 69 OK 37 81 - 46 - 2185/3.7=10, 2211/4.3=8...(8) Peak 6929 from nnoeabs.peaks (1.01, 8.30, 120.25 ppm; 4.45 A): 2 out of 3 assignments used, quality = 1.00: * QD1 LEU 69 + H LEU 69 OK 100 100 - 100 - 4.3=100 QG2 VAL 118 + H LEU 69 OK 52 100 - 53 - 10270/3.6=17...(9) QG2 VAL 105 - H LEU 69 OK 18 92 - 19 - 2173/2.9=4, 2196/3.7=3...(6) Peak 6930 from nnoeabs.peaks (0.87, 8.30, 120.25 ppm; 4.04 A): 3 out of 4 assignments used, quality = 0.96: * QD2 LEU 69 + H LEU 69 OK 89 100 - 89 - 4.9=55, 3.0/6927=33...(10) QD2 LEU 98 + H LEU 69 OK 36 81 - 44 - 6945/3.6=7, 2174/2.9=5...(16) QD1 LEU 98 + H LEU 69 OK 35 81 - 43 - 6945/3.6=6, 2174/2.9=5...(15) QG2 VAL 57 - H LEU 69 poor 8 81 - 10 - 2197/3.7=2, 2187/3.7=2...(6) Peak 6931 from nnoeabs.peaks (8.46, 8.30, 120.25 ppm; 4.09 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 70 + H LEU 69 OK 100 100 - 100 - 3.6=100 H ASP 47 - H LEU 69 OK 23 73 - 32 - 2214/4.3=6, 3.6/1455=5...(10) H VAL 132 - H LEU 69 OK 15 81 - 19 - 2175/2.9=4, 3.3/6932=3...(9) Peak 6932 from nnoeabs.peaks (8.14, 8.30, 120.25 ppm; 4.35 A): 3 out of 4 assignments used, quality = 0.75: * H ASP 71 + H LEU 69 OK 67 100 - 67 - 6957=31, 2127/3.6=28...(6) H ILE 32 + H LEU 69 OK 15 98 - 16 - 6952/3.6=7, 4.8/11056=4 H VAL 133 + H LEU 69 OK 10 73 - 14 - 6952/3.6=6, 3.3/6931=3...(4) H ALA 15 - H LEU 69 lone 4 92 - 4 - 6952/3.6=2, 2127/3.6=1 Peak 6933 from nnoeabs.peaks (8.46, 8.46, 121.15 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 70 + H LEU 70 OK 100 100 - 100 Peak 6934 from nnoeabs.peaks (3.63, 8.46, 121.15 ppm; 6.80 A): 2 out of 3 assignments used, quality = 0.94: * HA2 GLY 66 + H LEU 70 OK 79 100 - 79 - 3.6/11100=46...(5) HA3 GLY 66 + H LEU 70 OK 73 92 - 79 - 3.6/11100=46...(6) HD2 PRO 58 - H LEU 70 poor 6 57 - 11 - 2189/4.4=3, 6913/3.6=2...(4) Peak 6935 from nnoeabs.peaks (3.63, 8.46, 121.15 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.95: * HA3 GLY 66 + H LEU 70 OK 82 100 - 82 - 3.6/11100=46...(6) HA2 GLY 66 + H LEU 70 OK 72 92 - 78 - 3.6/11100=46...(5) Peak 6936 from nnoeabs.peaks (4.22, 8.46, 121.15 ppm; 4.29 A): 2 out of 6 assignments used, quality = 0.93: * HA HIS 67 + H LEU 70 OK 89 100 - 89 - 2099=39, 2.9/11100=27...(15) HA SER 99 + H LEU 70 OK 36 100 - 36 - 6916/3.6=6, 11104/4.9=6...(11) HA SER 51 - H LEU 70 OK 27 100 - 27 - 4.9/6938=6, 6916/3.6=4...(9) HB3 SER 38 - H LEU 70 lone 5 92 - 5 - 6916/3.6=1 HA GLU 30 - H LEU 70 lone 3 73 - 4 - HA ALA 34 - H LEU 70 lone 3 81 - 3 - Peak 6937 from nnoeabs.peaks (7.86, 8.46, 121.15 ppm; 4.98 A): 2 out of 2 assignments used, quality = 0.92: * H GLN 68 + H LEU 70 OK 91 100 - 91 - 6894=43, 6917/3.6=30...(12) H ALA 88 + H LEU 70 OK 14 87 - 16 - 6917/3.6=7, 2118/6938=2...(4) Peak 6938 from nnoeabs.peaks (3.99, 8.46, 121.15 ppm; 4.10 A): 2 out of 4 assignments used, quality = 0.68: * HA GLN 68 + H LEU 70 OK 55 100 - 55 - 2127/3.4=26, 2.9/6894=21...(5) HA SER 50 + H LEU 70 OK 29 98 - 29 - 6956/3.4=6, 6918/3.6=5...(11) HA VAL 20 - H LEU 70 lone 10 98 - 10 - 6918/3.6=3, 6956/3.4=2 HB2 SER 124 - H LEU 70 lone 9 99 - 9 - 6918/3.6=3, 6956/3.4=2 Peak 6939 from nnoeabs.peaks (8.30, 8.46, 121.15 ppm; 3.66 A): 1 out of 7 assignments used, quality = 1.00: * H LEU 69 + H LEU 70 OK 100 100 - 100 - 3.6=100 H SER 99 - H LEU 70 OK 22 81 - 27 - 2.9/6936=5, 6957/3.4=4...(10) H LEU 49 - H LEU 70 OK 19 96 - 20 - 2168/3.6=3, 6957/3.4=2...(9) H VAL 126 - H LEU 70 lone 7 73 - 9 - 2181/4.4=2, 2191/4.4=2...(4) H ALA 110 - H LEU 70 lone 6 99 - 6 - 2168/3.6=1 H ALA 21 - H LEU 70 lone 5 65 - 7 - 3.6/6938=2 H GLY 111 - H LEU 70 lone 4 96 - 4 - Peak 6940 from nnoeabs.peaks (4.33, 8.46, 121.15 ppm; 6.80 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 69 + H LEU 70 OK 100 100 - 100 - 3.6=100 HA ASN 59 - H LEU 70 OK 34 98 - 34 - 6958/3.4=8, 2182/4.4=7...(9) HA LYS 24 - H LEU 70 OK 28 96 - 30 - 2192/4.4=6, 2182/4.4=6...(10) HA PRO 81 - H LEU 70 OK 23 87 - 27 - ~11106=5, 6958/3.4=3...(8) Peak 6941 from nnoeabs.peaks (1.67, 8.46, 121.15 ppm; 3.29 A): 2 out of 10 assignments used, quality = 0.73: * HB2 LEU 69 + H LEU 70 OK 70 100 - 70 - 4.4=41, 1.8/6942=23...(7) HD2 LYS 39 + H LEU 70 OK 11 65 - 16 - 1.8/6948=2, ~11105=2...(8) HD2 LYS 36 - H LEU 70 lone 8 100 - 8 - 6926/3.6=2, 2170/3.6=2 HD3 LYS 36 - H LEU 70 lone 8 100 - 8 - 6926/3.6=2, 2170/3.6=2 QB ALA 88 - H LEU 70 lone 4 73 - 5 - 3.0/6937=2 HD2 LYS 31 - H LEU 70 lone 3 73 - 5 - HD2 LYS 24 - H LEU 70 lone 3 73 - 5 - HD3 LYS 31 - H LEU 70 lone 3 65 - 4 - HD3 LYS 24 - H LEU 70 lone 3 65 - 4 - HD2 LYS 26 - H LEU 70 lone 1 65 - 2 - Peak 6942 from nnoeabs.peaks (2.16, 8.46, 121.15 ppm; 4.17 A): 1 out of 1 assignment used, quality = 0.96: * HB3 LEU 69 + H LEU 70 OK 96 100 - 96 - 4.4=83, 6927/3.6=31...(9) Peak 6943 from nnoeabs.peaks (1.51, 8.46, 121.15 ppm; 4.62 A): 2 out of 2 assignments used, quality = 0.88: * HG LEU 69 + H LEU 70 OK 83 100 - 83 - 2.9/6942=37, 2.9/6941=27...(8) HB2 LEU 53 + H LEU 70 OK 29 81 - 36 - 2185/4.4=8, 6928/3.6=8...(9) Peak 6944 from nnoeabs.peaks (1.01, 8.46, 121.15 ppm; 4.82 A): 2 out of 3 assignments used, quality = 0.96: * QD1 LEU 69 + H LEU 70 OK 93 100 - 93 - 3.2/6942=37, 2208/3.6=30...(11) QG2 VAL 118 + H LEU 70 OK 40 100 - 41 - 6929/3.6=10, 2173/3.6=10...(9) QG2 VAL 105 - H LEU 70 OK 15 92 - 16 - 2173/3.6=4, 2196/4.4=4...(5) Peak 6945 from nnoeabs.peaks (0.87, 8.46, 121.15 ppm; 3.60 A): 3 out of 4 assignments used, quality = 0.83: * QD2 LEU 69 + H LEU 70 OK 65 100 - 65 - 3.0/6942=23, 3.0/6941=18...(8) QD2 LEU 98 + H LEU 70 OK 32 81 - 40 - 2.1/6947=5, 6930/3.6=4...(20) QD1 LEU 98 + H LEU 70 OK 29 81 - 36 - 2.1/6947=5, 6930/3.6=4...(18) QG2 VAL 57 - H LEU 70 lone 5 81 - 6 - 2197/4.4=1, 2187/4.4=1 Peak 6946 from nnoeabs.peaks (3.88, 8.46, 121.15 ppm; 4.13 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 70 + H LEU 70 OK 100 100 - 100 - 2.9=100 HB3 SER 50 - H LEU 70 OK 21 81 - 26 - 3.0/6938=8, 6960/3.4=3...(11) HA LYS 86 - H LEU 70 OK 17 87 - 20 - 2261/4.3=4, 6960/3.4=3...(9) HA2 GLY 114 - H LEU 70 OK 10 100 - 10 - 6960/3.4=2, 2261/4.3=2...(6) Peak 6947 from nnoeabs.peaks (1.71, 8.46, 121.15 ppm; 3.25 A): 2 out of 6 assignments used, quality = 1.00: * HB2 LEU 70 + H LEU 70 OK 100 100 - 100 - 3.2=100 HB3 LEU 70 + H LEU 70 OK 98 98 - 100 - 3.2=100 HG LEU 98 - H LEU 70 OK 33 99 - 34 - 2.1/6945=7, 2.1/6945=6...(16) HD3 LYS 39 - H LEU 70 OK 16 99 - 16 - 1.8/6941=3, 2226/2.9=2...(8) HG2 ARG 135 - H LEU 70 OK 10 100 - 10 - ~4340=1, 2225/2.9=1 HG LEU 48 - H LEU 70 lone 8 99 - 8 - 1519/3.6=2 Peak 6948 from nnoeabs.peaks (1.71, 8.46, 121.15 ppm; 3.25 A): 2 out of 6 assignments used, quality = 1.00: * HB3 LEU 70 + H LEU 70 OK 100 100 - 100 - 3.2=100 HB2 LEU 70 + H LEU 70 OK 98 98 - 100 - 3.2=100 HG LEU 98 - H LEU 70 OK 30 92 - 33 - 2.1/6945=7, 2.1/6945=6...(16) HD3 LYS 39 - H LEU 70 OK 16 100 - 16 - 1.8/6941=3, 2226/2.9=2...(8) HG2 ARG 135 - H LEU 70 lone 9 96 - 10 - ~4340=1, 2225/2.9=1 HG LEU 48 - H LEU 70 lone 8 100 - 8 - 1519/3.6=2 Peak 6949 from nnoeabs.peaks (1.61, 8.46, 121.15 ppm; 4.05 A): 1 out of 5 assignments used, quality = 0.94: * HG LEU 70 + H LEU 70 OK 94 100 - 94 - 5.0=54, 2.1/2260=27...(20) HB2 LEU 122 - H LEU 70 OK 15 98 - 15 - 2227/2.9=3, 2264/4.3=3...(6) HG LEU 122 - H LEU 70 OK 10 81 - 13 - 11792/11094=2...(7) HB3 LEU 22 - H LEU 70 lone 9 92 - 9 - 2227/2.9=2, 2264/4.3=1...(5) HG LEU 22 - H LEU 70 lone 9 92 - 9 - 2227/2.9=2, 2264/4.3=1...(5) Peak 6950 from nnoeabs.peaks (0.82, 8.46, 121.15 ppm; 3.51 A): 2 out of 4 assignments used, quality = 0.95: * QD1 LEU 70 + H LEU 70 OK 92 100 - 92 - 4.3=53, 2261/2.9=19...(21) QG2 ILE 129 + H LEU 70 OK 40 98 - 40 - 11632/3.4=9, 3.0/10454=8...(13) QG2 ILE 80 - H LEU 70 OK 27 92 - 29 - 2228/2.9=4, ~11181=3...(13) HG13 ILE 80 - H LEU 70 OK 26 92 - 28 - ~11181=4, 2228/2.9=4...(13) Peak 6951 from nnoeabs.peaks (0.86, 8.46, 121.15 ppm; 3.60 A): 2 out of 4 assignments used, quality = 0.94: * QD2 LEU 70 + H LEU 70 OK 91 100 - 91 - 4.9=40, 2269/2.9=25...(20) QG2 ILE 32 + H LEU 70 OK 39 99 - 40 - ~10822=9, 903/3.4=6...(14) QD1 LEU 98 - H LEU 70 OK 34 87 - 39 - 2229/2.9=6, 2.1/6947=5...(16) QG2 VAL 57 - H LEU 70 lone 5 87 - 5 - Peak 6952 from nnoeabs.peaks (8.14, 8.46, 121.15 ppm; 3.92 A): 1 out of 4 assignments used, quality = 1.00: * H ASP 71 + H LEU 70 OK 100 100 - 100 - 3.4=100 H ILE 32 - H LEU 70 OK 42 98 - 43 - ~10822=12, 4.0/6951=6...(11) H VAL 133 - H LEU 70 OK 38 73 - 52 - 4.0/9483=7, 7927=5...(23) H ALA 15 - H LEU 70 OK 10 92 - 11 - 2230/2.9=2, 2267/4.3=1...(4) Peak 6953 from nnoeabs.peaks (8.32, 8.46, 121.15 ppm; 3.74 A): 1 out of 3 assignments used, quality = 0.70: * H TYR 72 + H LEU 70 OK 70 100 - 71 - 6974=31, 6973/3.6=22...(13) H ALA 28 - H LEU 70 lone 5 92 - 5 - 6969/3.4=2, 2176/3.6=1 H GLY 17 - H LEU 70 lone 4 99 - 4 - 6969/3.4=2, 2176/3.6=1 Peak 6954 from nnoeabs.peaks (8.14, 8.14, 121.15 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASP 71 + H ASP 71 OK 100 100 - 100 Peak 6955 from nnoeabs.peaks (4.22, 8.14, 121.15 ppm; 5.43 A): 3 out of 6 assignments used, quality = 0.91: * HA HIS 67 + H ASP 71 OK 82 100 - 82 - 2099/3.4=34, 4.9/2127=29...(12) HA SER 99 + H ASP 71 OK 33 100 - 33 - 6936/3.4=9, 2.9/6957=7...(8) HA SER 51 + H ASP 71 OK 24 100 - 24 - 6936/3.4=7, 4.9/6956=7...(7) HA GLU 30 - H ASP 71 lone 7 73 - 9 - 3.6/6339=3 HB3 SER 38 - H ASP 71 lone 6 92 - 7 - 6936/3.4=1 HA ALA 34 - H ASP 71 lone 5 81 - 6 - 10873/927=1 Peak 6956 from nnoeabs.peaks (3.99, 8.14, 121.15 ppm; 4.25 A): 4 out of 4 assignments used, quality = 0.92: * HA GLN 68 + H ASP 71 OK 86 100 - 87 - 2127=41, 2128/4.0=23...(11) HA SER 50 + H ASP 71 OK 29 98 - 30 - 6938/3.4=8, 6972/3.4=5...(10) HA VAL 20 + H ASP 71 OK 12 98 - 12 - 6938/3.4=3, 6972/3.4=2...(4) HB2 SER 124 + H ASP 71 OK 11 99 - 11 - 6938/3.4=3, 6972/3.4=2...(4) Peak 6957 from nnoeabs.peaks (8.30, 8.14, 121.15 ppm; 3.86 A): 2 out of 7 assignments used, quality = 0.62: * H LEU 69 + H ASP 71 OK 56 100 - 57 - 6932=24, 3.6/2127=22...(6) H SER 99 + H ASP 71 OK 14 81 - 17 - 6939/3.4=4, 2.9/6955=4...(5) H LEU 49 - H ASP 71 lone 9 96 - 10 - 6594/3.4=4, 6600/4.3=2...(4) H ALA 110 - H ASP 71 lone 3 99 - 3 - 6939/3.4=1 H ALA 21 - H ASP 71 lone 3 65 - 4 - 3.6/6956=2 H GLY 111 - H ASP 71 lone 2 96 - 2 - H VAL 126 - H ASP 71 lone 2 73 - 3 - 6939/3.4=1 Peak 6958 from nnoeabs.peaks (4.33, 8.14, 121.15 ppm; 6.35 A): 4 out of 4 assignments used, quality = 0.94: * HA LEU 69 + H ASP 71 OK 89 100 - 89 - 2176/3.4=40, 4.9/2127=36...(8) HA ASN 59 + H ASP 71 OK 28 98 - 28 - 6973/3.4=7, 6940/3.4=6...(8) HA LYS 24 + H ASP 71 OK 15 96 - 16 - 6940/3.4=5, 6973/3.4=3...(4) HA PRO 81 + H ASP 71 OK 13 87 - 15 - 6940/3.4=4...(4) Peak 6959 from nnoeabs.peaks (8.46, 8.14, 121.15 ppm; 3.80 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 70 + H ASP 71 OK 100 100 - 100 - 3.4=100 H VAL 132 - H ASP 71 OK 29 81 - 36 - 2223/3.6=6, 6974/3.4=3...(16) H ASP 47 - H ASP 71 lone 6 73 - 8 - 2223/3.6=2, 6974/3.4=1 Peak 6960 from nnoeabs.peaks (3.88, 8.14, 121.15 ppm; 4.99 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 70 + H ASP 71 OK 100 100 - 100 - 3.6=100 HB3 SER 50 - H ASP 71 OK 23 81 - 29 - 3.0/6956=8, ~6938=5...(7) HA LYS 86 - H ASP 71 OK 18 87 - 21 - 6946/3.4=4, 9820/11181=4...(7) HA2 GLY 114 - H ASP 71 OK 11 100 - 11 - 6946/3.4=3, 6975/3.4=2...(4) Peak 6961 from nnoeabs.peaks (1.71, 8.14, 121.15 ppm; 3.65 A): 2 out of 6 assignments used, quality = 0.98: * HB2 LEU 70 + H ASP 71 OK 86 100 - 86 - 4.3=59, 3.0/2259=13...(18) HB3 LEU 70 + H ASP 71 OK 84 98 - 86 - 4.3=59, 3.0/2259=13...(18) HG LEU 98 - H ASP 71 OK 19 99 - 19 - 2.1/6965=4, 6947/3.4=3...(5) HD3 LYS 39 - H ASP 71 lone 8 99 - 8 - 2226/3.6=2, 6947/3.4=2, ~6941=1 HG2 ARG 135 - H ASP 71 lone 6 100 - 6 - 2225/3.6=1, 6947/3.4=1, ~11831=1 HG LEU 48 - H ASP 71 lone 4 99 - 4 - Peak 6962 from nnoeabs.peaks (1.71, 8.14, 121.15 ppm; 3.65 A): 2 out of 6 assignments used, quality = 0.98: * HB3 LEU 70 + H ASP 71 OK 86 100 - 86 - 4.3=59, 3.0/2259=13...(18) HB2 LEU 70 + H ASP 71 OK 85 98 - 86 - 4.3=59, 3.0/2259=13...(18) HG LEU 98 - H ASP 71 OK 17 92 - 19 - 2.1/6965=4, 6947/3.4=3...(5) HD3 LYS 39 - H ASP 71 lone 8 100 - 8 - 2226/3.6=2, 6948/3.4=2, ~6941=1 HG2 ARG 135 - H ASP 71 lone 6 96 - 6 - 2225/3.6=1, ~11831=1, 6947/3.4=1 HG LEU 48 - H ASP 71 lone 4 100 - 4 - Peak 6964 from nnoeabs.peaks (0.82, 8.14, 121.15 ppm; 4.49 A): 2 out of 4 assignments used, quality = 0.96: * QD1 LEU 70 + H ASP 71 OK 91 100 - 91 - 2261/3.6=25, 2260/3.4=25...(14) QG2 ILE 129 + H ASP 71 OK 52 98 - 53 - 11632=23, ~10454=8...(11) QG2 ILE 80 - H ASP 71 OK 35 92 - 38 - 3.1/11181=10, 6950/3.4=5...(12) HG13 ILE 80 - H ASP 71 OK 31 92 - 33 - 2.1/11181=11, 6950/3.4=5...(11) Peak 6965 from nnoeabs.peaks (0.86, 8.14, 121.15 ppm; 4.36 A): 2 out of 4 assignments used, quality = 0.94: * QD2 LEU 70 + H ASP 71 OK 88 100 - 88 - 2269/3.6=28, 2.1/2259=21...(14) QG2 ILE 32 + H ASP 71 OK 54 99 - 54 - 903=11, 6951/3.4=8...(12) QD1 LEU 98 - H ASP 71 OK 31 87 - 36 - 6951/3.4=7, 2229/3.6=7...(11) QG2 VAL 57 - H ASP 71 lone 4 87 - 5 - 6951/3.4=1 Peak 6966 from nnoeabs.peaks (4.42, 8.14, 121.15 ppm; 3.61 A): 1 out of 6 assignments used, quality = 1.00: * HA ASP 71 + H ASP 71 OK 100 100 - 100 - 2.8=100 HA MET 11 - H ASP 71 poor 9 81 - 11 - 6977/3.4=2, 2286/4.0=2...(5) HA VAL 112 - H ASP 71 lone 3 87 - 4 - HA HIS 5 - H ASP 71 lone 2 92 - 2 - HA ASN 120 - H ASP 71 lone 2 65 - 2 - ~9499=1 HA THR 54 - H ASP 71 lone 1 73 - 2 - Peak 6967 from nnoeabs.peaks (2.63, 8.14, 121.15 ppm; 3.63 A): 1 out of 2 assignments used, quality = 0.90: * HB2 ASP 71 + H ASP 71 OK 90 100 - 90 - 4.0=74, 1.8/6968=34...(7) HB2 ASN 59 - H ASP 71 lone 6 65 - 9 - 6978/3.4=2, 3.0/6958=2...(5) Peak 6968 from nnoeabs.peaks (2.81, 8.14, 121.15 ppm; 3.42 A): 2 out of 3 assignments used, quality = 0.86: * HB3 ASP 71 + H ASP 71 OK 84 100 - 84 - 4.0=61, 1.8/6967=31...(8) HB2 ASN 13 + H ASP 71 OK 10 100 - 10 - 2279/2.8=2, 2288/4.0=2...(4) HB3 ASN 85 - H ASP 71 lone 4 73 - 5 - 2279/2.8=1 Peak 6969 from nnoeabs.peaks (8.32, 8.14, 121.15 ppm; 3.84 A): 1 out of 3 assignments used, quality = 1.00: * H TYR 72 + H ASP 71 OK 100 100 - 100 - 3.4=100 H GLY 17 - H ASP 71 OK 11 99 - 11 - 2280/2.8=3, 2295/4.0=2...(5) H ALA 28 - H ASP 71 lone 8 92 - 8 - 2280/2.8=2, 6953/3.4=2...(4) Peak 6970 from nnoeabs.peaks (8.85, 8.14, 121.15 ppm; 5.49 A): 1 out of 1 assignment used, quality = 0.82: * H CYS 73 + H ASP 71 OK 82 100 - 82 - 2231/3.6=36, 6991/2.8=33...(8) Peak 6971 from nnoeabs.peaks (8.32, 8.32, 120.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H TYR 72 + H TYR 72 OK 100 100 - 100 Peak 6972 from nnoeabs.peaks (3.99, 8.32, 120.30 ppm; 4.84 A): 4 out of 4 assignments used, quality = 0.85: * HA GLN 68 + H TYR 72 OK 75 100 - 75 - 2127/3.4=34, 2128/4.6=26...(6) HA SER 50 + H TYR 72 OK 24 98 - 24 - 6956/3.4=7, 6938/6953=4...(7) HA VAL 20 + H TYR 72 OK 12 98 - 12 - 6956/3.4=3, 10270/9522=2...(5) HB2 SER 124 + H TYR 72 OK 10 99 - 10 - 6956/3.4=3, 2290/4.6=2...(4) Peak 6973 from nnoeabs.peaks (4.33, 8.32, 120.30 ppm; 3.07 A): 1 out of 4 assignments used, quality = 0.50: * HA LEU 69 + H TYR 72 OK 50 100 - 50 - 3.6/6953=14, 2176=12...(11) HA ASN 59 - H TYR 72 lone 8 98 - 8 - 6988/3.5=2, 3.0/6978=1 HA LYS 24 - H TYR 72 lone 4 96 - 4 - 6988/3.5=1 HA PRO 81 - H TYR 72 lone 3 87 - 3 - Peak 6974 from nnoeabs.peaks (8.46, 8.32, 120.30 ppm; 4.11 A): 2 out of 3 assignments used, quality = 0.83: * H LEU 70 + H TYR 72 OK 81 100 - 81 - 6953=44, 3.6/6973=26...(13) H VAL 132 + H TYR 72 OK 14 81 - 17 - 6959/3.4=6, 3.3/6976=3...(7) H ASP 47 - H TYR 72 lone 5 73 - 7 - 6565/9148=2, 6959/3.4=1...(4) Peak 6975 from nnoeabs.peaks (3.88, 8.32, 120.30 ppm; 6.80 A): 1 out of 4 assignments used, quality = 0.94: * HA LEU 70 + H TYR 72 OK 94 100 - 94 - 2231/3.5=47, 2.9/6953=44...(10) HB3 SER 50 - H TYR 72 OK 25 81 - 32 - 3.0/6972=10, ~6956=7...(6) HA LYS 86 - H TYR 72 OK 24 87 - 27 - 6989/3.5=9, 6960/3.4=6...(7) HA2 GLY 114 - H TYR 72 OK 13 100 - 13 - 6960/3.4=3, 6989/3.5=2...(4) Peak 6976 from nnoeabs.peaks (8.14, 8.32, 120.30 ppm; 3.64 A): 1 out of 4 assignments used, quality = 1.00: * H ASP 71 + H TYR 72 OK 100 100 - 100 - 3.4=100 H ILE 32 - H TYR 72 OK 14 98 - 14 - 2276/3.6=3, 2285/4.6=2...(6) H VAL 133 - H TYR 72 OK 12 73 - 16 - 3.3/6974=3, 6952/6953=2...(8) H ALA 15 - H TYR 72 lone 8 92 - 9 - 4.6/6127=3, 2276/3.6=1 Peak 6977 from nnoeabs.peaks (4.42, 8.32, 120.30 ppm; 4.63 A): 1 out of 6 assignments used, quality = 1.00: * HA ASP 71 + H TYR 72 OK 100 100 - 100 - 3.6=100 HA MET 11 - H TYR 72 OK 15 81 - 19 - 2.9/6986=5, 6991/3.5=4...(7) HA VAL 112 - H TYR 72 lone 5 87 - 5 - 6966/3.4=1 HA HIS 5 - H TYR 72 lone 3 92 - 3 - HA THR 54 - H TYR 72 lone 3 73 - 4 - HA ASN 120 - H TYR 72 lone 2 65 - 2 - Peak 6978 from nnoeabs.peaks (2.63, 8.32, 120.30 ppm; 4.26 A): 1 out of 2 assignments used, quality = 0.95: * HB2 ASP 71 + H TYR 72 OK 95 100 - 95 - 4.6=80, 1.8/6979=36...(7) HB2 ASN 59 - H TYR 72 poor 10 65 - 15 - 3.0/6973=5, 6967/3.4=2...(5) Peak 6979 from nnoeabs.peaks (2.81, 8.32, 120.30 ppm; 3.97 A): 1 out of 3 assignments used, quality = 0.89: * HB3 ASP 71 + H TYR 72 OK 89 100 - 89 - 4.6=65, 1.8/6978=31...(8) HB2 ASN 13 - H TYR 72 lone 10 100 - 10 - 6968/3.4=3, 2279/3.6=3 HB3 ASN 85 - H TYR 72 lone 4 73 - 5 - 11172/9523=1, 6968/3.4=1 Peak 6980 from nnoeabs.peaks (4.55, 8.32, 120.30 ppm; 3.85 A): 1 out of 1 assignment used, quality = 1.00: * HA TYR 72 + H TYR 72 OK 100 100 - 100 - 2.9=100 Peak 6981 from nnoeabs.peaks (3.02, 8.32, 120.30 ppm; 4.16 A): 1 out of 2 assignments used, quality = 1.00: * HB2 TYR 72 + H TYR 72 OK 100 100 - 100 - 3.8=100 HB2 HIS 3 - H TYR 72 OK 14 99 - 14 - 2298/2.9=4, 2314/3.8=4...(4) Peak 6982 from nnoeabs.peaks (3.34, 8.32, 120.30 ppm; 3.96 A): 1 out of 3 assignments used, quality = 1.00: * HB3 TYR 72 + H TYR 72 OK 100 100 - 100 - 3.8=100 HB2 HIS 67 - H TYR 72 OK 37 99 - 37 - 2299/2.9=8, 2307/3.8=7...(9) HB3 PHE 89 - H TYR 72 OK 10 81 - 12 - 6995/3.5=3, 2299/2.9=2...(5) Peak 6983 from nnoeabs.peaks (7.15, 8.32, 120.30 ppm; 3.92 A): 2 out of 2 assignments used, quality = 0.87: * QD TYR 72 + H TYR 72 OK 81 100 - 81 - 4.5=68, 2.2/6984=21...(8) HD2 HIS 67 + H TYR 72 OK 28 96 - 29 - 2300/2.9=6, 2316/3.8=6...(6) Peak 6984 from nnoeabs.peaks (6.81, 8.32, 120.30 ppm; 5.22 A): 1 out of 1 assignment used, quality = 0.77: * QE TYR 72 + H TYR 72 OK 77 100 - 78 - 6.5=52, 2.2/6983=36...(6) Peak 6985 from nnoeabs.peaks (8.85, 8.32, 120.30 ppm; 3.72 A): 1 out of 1 assignment used, quality = 1.00: * H CYS 73 + H TYR 72 OK 100 100 - 100 - 3.5=100 Peak 6986 from nnoeabs.peaks (8.41, 8.32, 120.30 ppm; 3.95 A): 1 out of 2 assignments used, quality = 0.70: * H SER 74 + H TYR 72 OK 70 100 - 70 - 7005=32, 7007/3.5=29...(6) H MET 11 - H TYR 72 poor 10 87 - 11 - 2281/3.6=3, 2.9/6977=3...(4) Peak 6987 from nnoeabs.peaks (8.85, 8.85, 116.83 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H CYS 73 + H CYS 73 OK 100 100 - 100 Peak 6988 from nnoeabs.peaks (4.33, 8.85, 116.83 ppm; 4.79 A): 3 out of 4 assignments used, quality = 0.84: * HA LEU 69 + H CYS 73 OK 78 100 - 78 - 6973/3.5=33...(9) HA ASN 59 + H CYS 73 OK 18 98 - 18 - 6973/3.5=6, 2303/4.4=3...(7) HA LYS 24 + H CYS 73 OK 11 96 - 12 - 6973/3.5=3, 2311/4.4=2...(5) HA PRO 81 - H CYS 73 lone 7 87 - 8 - 6973/3.5=2, 2311/4.4=1 Peak 6989 from nnoeabs.peaks (3.88, 8.85, 116.83 ppm; 4.65 A): 2 out of 4 assignments used, quality = 0.94: * HA LEU 70 + H CYS 73 OK 92 100 - 92 - 2231=41, 2233/3.8=25...(13) HA LYS 86 + H CYS 73 OK 25 87 - 29 - ~9536=15, 2622/3.8=5...(6) HB3 SER 50 - H CYS 73 poor 9 81 - 11 - ~6972=3, 6975/3.5=2...(5) HA2 GLY 114 - H CYS 73 lone 5 100 - 5 - 6975/3.5=1, 7003/3.8=1 Peak 6990 from nnoeabs.peaks (8.14, 8.85, 116.83 ppm; 5.85 A): 3 out of 4 assignments used, quality = 0.95: * H ASP 71 + H CYS 73 OK 90 100 - 90 - 6970=50, 3.6/2231=39...(8) H ILE 32 + H CYS 73 OK 27 98 - 28 - 4.0/11121=12, ~10821=6...(5) H VAL 133 + H CYS 73 OK 24 73 - 32 - 4.0/11121=22, 6976/3.5=4...(5) H ALA 15 - H CYS 73 lone 7 92 - 8 - 6976/3.5=3, 2230/2231=1 Peak 6991 from nnoeabs.peaks (4.42, 8.85, 116.83 ppm; 4.73 A): 2 out of 6 assignments used, quality = 0.81: * HA ASP 71 + H CYS 73 OK 78 100 - 78 - 7004/3.8=28, 2.8/6970=27...(7) HA MET 11 + H CYS 73 OK 13 81 - 16 - 7004/3.8=4, 6977/3.5=4...(5) HA VAL 112 - H CYS 73 lone 3 87 - 3 - 6977/3.5=1 HA HIS 5 - H CYS 73 lone 2 92 - 3 - HA THR 54 - H CYS 73 lone 2 73 - 2 - HA ASN 120 - H CYS 73 lone 1 65 - 2 - Peak 6992 from nnoeabs.peaks (8.32, 8.85, 116.83 ppm; 3.97 A): 1 out of 3 assignments used, quality = 1.00: * H TYR 72 + H CYS 73 OK 100 100 - 100 - 3.5=100 H GLY 17 - H CYS 73 OK 14 99 - 14 - 7005/3.8=5, 2296/3.6=3...(4) H ALA 28 - H CYS 73 lone 7 92 - 8 - 2296/3.6=2, 2312/4.4=1 Peak 6993 from nnoeabs.peaks (4.55, 8.85, 116.83 ppm; 5.48 A): 1 out of 1 assignment used, quality = 1.00: * HA TYR 72 + H CYS 73 OK 100 100 - 100 - 3.6=100 Peak 6994 from nnoeabs.peaks (3.02, 8.85, 116.83 ppm; 5.05 A): 1 out of 2 assignments used, quality = 1.00: * HB2 TYR 72 + H CYS 73 OK 100 100 - 100 - 4.4=100 HB2 HIS 3 - H CYS 73 OK 16 99 - 16 - 2298/3.6=6, 2314/4.4=5...(4) Peak 6995 from nnoeabs.peaks (3.34, 8.85, 116.83 ppm; 4.03 A): 3 out of 3 assignments used, quality = 0.90: * HB3 TYR 72 + H CYS 73 OK 84 100 - 84 - 4.4=77, 2.7/6996=13...(6) HB2 HIS 67 + H CYS 73 OK 29 99 - 29 - 6982/3.5=7, 2299/3.6=7...(7) HB3 PHE 89 + H CYS 73 OK 16 81 - 20 - 1.8/7000=5, ~2322=5...(6) Peak 6996 from nnoeabs.peaks (7.15, 8.85, 116.83 ppm; 5.43 A): 2 out of 2 assignments used, quality = 0.85: * QD TYR 72 + H CYS 73 OK 75 100 - 75 - 6983/3.5=32, 2.7/6995=30...(8) HD2 HIS 67 + H CYS 73 OK 39 96 - 41 - 6983/3.5=11, 2316/4.4=11...(5) Peak 6998 from nnoeabs.peaks (4.38, 8.85, 116.83 ppm; 4.30 A): 1 out of 4 assignments used, quality = 1.00: * HA CYS 73 + H CYS 73 OK 100 100 - 100 - 2.9=100 HA ASP 78 - H CYS 73 OK 36 100 - 36 - ~11125=15, 2326/3.8=6...(7) HA SER 107 - H CYS 73 OK 11 98 - 11 - 10115/9564=2, 7008/3.8=2...(4) HA SER 9 - H CYS 73 lone 1 65 - 2 - Peak 6999 from nnoeabs.peaks (2.75, 8.85, 116.83 ppm; 4.32 A): 1 out of 3 assignments used, quality = 1.00: * HB2 CYS 73 + H CYS 73 OK 100 100 - 100 - 3.8=100 HB3 ASP 35 - H CYS 73 OK 11 99 - 11 - 2321/2.9=3, 7009/3.8=3 HB2 ASP 64 - H CYS 73 lone 9 98 - 9 - 2321/2.9=3, 2333/3.8=2...(4) Peak 7000 from nnoeabs.peaks (3.32, 8.85, 116.83 ppm; 3.81 A): 1 out of 2 assignments used, quality = 1.00: * HB3 CYS 73 + H CYS 73 OK 100 100 - 100 - 3.8=100 HB2 PHE 89 - H CYS 73 OK 15 81 - 18 - 2322/2.9=5, 1.8/6995=4...(6) Peak 7001 from nnoeabs.peaks (8.41, 8.85, 116.83 ppm; 3.92 A): 1 out of 2 assignments used, quality = 1.00: * H SER 74 + H CYS 73 OK 100 100 - 100 - 3.8=100 H MET 11 - H CYS 73 poor 10 87 - 11 - 6986/3.5=3, 2.9/6991=3...(5) Peak 7002 from nnoeabs.peaks (8.41, 8.41, 115.94 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H SER 74 + H SER 74 OK 100 100 - 100 Peak 7003 from nnoeabs.peaks (3.88, 8.41, 115.94 ppm; 4.56 A): 1 out of 4 assignments used, quality = 0.68: * HA LEU 70 + H SER 74 OK 68 100 - 68 - 2231/3.8=25, 2233/4.4=21...(8) HA LYS 86 - H SER 74 poor 10 87 - 11 - 6989/3.8=5, 2622/4.4=4 HB3 SER 50 - H SER 74 lone 3 81 - 4 - 6989/3.8=2, 6975/6986=1 HA2 GLY 114 - H SER 74 lone 3 100 - 3 - 6989/3.8=1 Peak 7004 from nnoeabs.peaks (4.42, 8.41, 115.94 ppm; 3.94 A): 2 out of 6 assignments used, quality = 0.76: * HA ASP 71 + H SER 74 OK 73 100 - 73 - 2281=30, 3.6/6986=22...(7) HA MET 11 + H SER 74 OK 10 81 - 12 - 6991/3.8=3, 126=2...(6) HA VAL 112 - H SER 74 lone 2 87 - 3 - HA HIS 5 - H SER 74 lone 1 92 - 2 - HA THR 54 - H SER 74 lone 1 73 - 1 - HA ASN 120 - H SER 74 lone 1 65 - 1 - Peak 7005 from nnoeabs.peaks (8.32, 8.41, 115.94 ppm; 4.18 A): 2 out of 3 assignments used, quality = 0.82: * H TYR 72 + H SER 74 OK 78 100 - 78 - 6986=44, 3.5/7007=32...(7) H GLY 17 + H SER 74 OK 20 99 - 20 - 4.6/9582=15, 6992/3.8=3...(4) H ALA 28 - H SER 74 lone 4 92 - 4 - 6992/3.8=2 Peak 7006 from nnoeabs.peaks (4.55, 8.41, 115.94 ppm; 5.49 A): 1 out of 1 assignment used, quality = 0.77: * HA TYR 72 + H SER 74 OK 77 100 - 77 - 3.6/7007=45, 2.9/6986=41 Peak 7007 from nnoeabs.peaks (8.85, 8.41, 115.94 ppm; 3.61 A): 1 out of 1 assignment used, quality = 0.96: * H CYS 73 + H SER 74 OK 96 100 - 96 - 3.8=88, 3.5/6986=19...(11) Peak 7008 from nnoeabs.peaks (4.38, 8.41, 115.94 ppm; 3.90 A): 1 out of 4 assignments used, quality = 1.00: * HA CYS 73 + H SER 74 OK 100 100 - 100 - 3.6=100 HA ASP 78 - H SER 74 OK 17 100 - 17 - 6998/3.8=5, 2326/4.4=4...(4) HA SER 107 - H SER 74 lone 9 98 - 9 - 6998/3.8=2...(6) HA SER 9 - H SER 74 lone 2 65 - 2 - Peak 7009 from nnoeabs.peaks (2.75, 8.41, 115.94 ppm; 4.22 A): 1 out of 3 assignments used, quality = 0.96: * HB2 CYS 73 + H SER 74 OK 96 100 - 96 - 4.4=86, 1.8/7010=36...(8) HB3 ASP 35 - H SER 74 OK 13 99 - 13 - 10883/10808=4...(4) HB2 ASP 64 - H SER 74 lone 10 98 - 9 - 2321/3.6=2, 6999/3.8=2 Peak 7010 from nnoeabs.peaks (3.32, 8.41, 115.94 ppm; 4.04 A): 2 out of 2 assignments used, quality = 0.92: * HB3 CYS 73 + H SER 74 OK 91 100 - 91 - 4.4=75, 1.8/7009=29...(7) HB2 PHE 89 + H SER 74 OK 11 81 - 14 - 2322/3.6=6, 2328/4.4=4 Peak 7011 from nnoeabs.peaks (4.29, 8.41, 115.94 ppm; 3.42 A): 1 out of 9 assignments used, quality = 1.00: * HA SER 74 + H SER 74 OK 100 100 - 100 - 2.9=100 HA ALA 15 - H SER 74 OK 11 87 - 13 - 3.6/9582=11 HA THR 25 - H SER 74 lone 3 100 - 2 - 7017/4.1=2 HA GLN 61 - H SER 74 lone 1 57 - 2 - HA ARG 23 - H SER 74 lone 1 92 - 1 - HA THR 18 - H SER 74 lone 1 100 - 1 - HA ALA 21 - H SER 74 lone 1 100 - 1 - HA ALA 12 - H SER 74 lone 1 87 - 1 - HA ALA 110 - H SER 74 lone 0 81 - 1 - Peak 7012 from nnoeabs.peaks (4.07, 8.41, 115.94 ppm; 3.07 A): 2 out of 3 assignments used, quality = 0.92: * HB2 SER 74 + H SER 74 OK 72 100 - 72 - 3.9=50, 3.0/2336=24...(5) HB3 SER 74 + H SER 74 OK 72 100 - 72 - 3.9=50, 3.0/2336=24...(5) HB THR 65 - H SER 74 lone 1 99 - 1 - Peak 7013 from nnoeabs.peaks (4.07, 8.41, 115.94 ppm; 3.07 A): 2 out of 3 assignments used, quality = 0.92: * HB3 SER 74 + H SER 74 OK 72 100 - 72 - 3.9=50, 3.0/2336=24...(5) HB2 SER 74 + H SER 74 OK 72 100 - 72 - 3.9=50, 3.0/2336=24...(5) HB THR 65 - H SER 74 lone 1 98 - 1 - Peak 7014 from nnoeabs.peaks (7.79, 8.41, 115.94 ppm; 3.65 A): 1 out of 3 assignments used, quality = 0.83: * H GLY 75 + H SER 74 OK 83 100 - 83 - 4.1=70, 3.6/2336=28...(6) HD22 ASN 59 - H SER 74 lone 7 92 - 8 - 9539/3.6=4, 2340/2.9=2 HD22 ASN 121 - H SER 74 lone 0 57 - 1 - Peak 7015 from nnoeabs.peaks (7.79, 7.79, 107.45 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLY 75 + H GLY 75 OK 100 100 - 100 Peak 7016 from nnoeabs.peaks (8.41, 7.79, 107.45 ppm; 3.77 A): 1 out of 2 assignments used, quality = 0.88: * H SER 74 + H GLY 75 OK 88 100 - 88 - 4.1=77, 2336/3.6=30...(6) H MET 11 - H GLY 75 lone 2 87 - 2 - Peak 7017 from nnoeabs.peaks (4.29, 7.79, 107.45 ppm; 3.30 A): 1 out of 9 assignments used, quality = 0.88: * HA SER 74 + H GLY 75 OK 88 100 - 88 - 3.6=79, 2.9/7016=22...(5) HA THR 25 - H GLY 75 lone 8 100 - 8 - ~9612=6, 11154/11151=1 HA GLN 61 - H GLY 75 lone 4 57 - 7 - 5.7/9583=3, ~11140=3 HA ALA 15 - H GLY 75 lone 2 87 - 2 - 7011/4.1=2 HA THR 18 - H GLY 75 lone 1 100 - 1 - HA ALA 21 - H GLY 75 lone 1 100 - 1 - HA ARG 23 - H GLY 75 lone 1 92 - 1 - HA ALA 12 - H GLY 75 lone 0 87 - 0 - HA ALA 110 - H GLY 75 lone 0 81 - 0 - Peak 7018 from nnoeabs.peaks (4.07, 7.79, 107.45 ppm; 3.67 A): 2 out of 3 assignments used, quality = 0.95: * HB2 SER 74 + H GLY 75 OK 78 100 - 78 - 4.6=50, 3.0/7017=26...(7) HB3 SER 74 + H GLY 75 OK 78 100 - 78 - 4.6=50, 3.0/7017=26...(7) HB THR 65 - H GLY 75 lone 1 99 - 1 - Peak 7019 from nnoeabs.peaks (4.07, 7.79, 107.45 ppm; 3.67 A): 2 out of 3 assignments used, quality = 0.95: * HB3 SER 74 + H GLY 75 OK 78 100 - 78 - 4.6=50, 3.0/7017=26...(7) HB2 SER 74 + H GLY 75 OK 78 100 - 78 - 4.6=50, 3.0/7017=26...(7) HB THR 65 - H GLY 75 lone 1 98 - 1 - Peak 7020 from nnoeabs.peaks (4.32, 7.79, 107.45 ppm; 3.12 A): 1 out of 3 assignments used, quality = 1.00: * HA2 GLY 75 + H GLY 75 OK 100 100 - 100 - 2.9=100 HA TYR 76 - H GLY 75 OK 29 87 - 33 - 2358/2.9=7, ~7028=6...(9) HA ASP 131 - H GLY 75 poor 9 57 - 15 - 3.0/9586=8, ~11646=2...(4) Peak 7021 from nnoeabs.peaks (3.90, 7.79, 107.45 ppm; 3.37 A): 1 out of 7 assignments used, quality = 1.00: * HA3 GLY 75 + H GLY 75 OK 100 100 - 100 - 2.9=100 HA ALA 46 - H GLY 75 lone 6 73 - 9 - 7026/3.1=2, ~9191=2, ~6560=2 HB3 SER 60 - H GLY 75 lone 3 92 - 4 - 7026/3.1=1 HB2 SER 60 - H GLY 75 lone 3 92 - 4 - 7026/3.1=1 HB2 SER 94 - H GLY 75 lone 2 100 - 2 - HA ALA 41 - H GLY 75 lone 1 87 - 1 - HB2 SER 33 - H GLY 75 lone 1 73 - 1 - Peak 7022 from nnoeabs.peaks (8.04, 7.79, 107.45 ppm; 3.57 A): 1 out of 5 assignments used, quality = 1.00: * H TYR 76 + H GLY 75 OK 100 100 - 100 - 3.1=100 H CYS 79 - H GLY 75 OK 18 100 - 18 - 11162/2.9=9, 2360/2.9=4...(4) H LEU 48 - H GLY 75 lone 5 99 - 5 - 2360/2.9=2, 2356/2.9=1, ~1483=1 H CYS 125 - H GLY 75 lone 4 100 - 4 - H SER 130 - H GLY 75 lone 3 73 - 3 - 10562/9593=1 Peak 7023 from nnoeabs.peaks (8.04, 8.04, 121.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H TYR 76 + H TYR 76 OK 100 100 - 100 Peak 7024 from nnoeabs.peaks (7.79, 8.04, 121.95 ppm; 3.56 A): 1 out of 3 assignments used, quality = 1.00: * H GLY 75 + H TYR 76 OK 100 100 - 100 - 3.1=100 HD22 ASN 59 - H TYR 76 lone 6 92 - 6 - 2353/3.5=2, 2357/3.5=2 HD22 ASN 121 - H TYR 76 lone 1 57 - 1 - Peak 7025 from nnoeabs.peaks (4.32, 8.04, 121.95 ppm; 3.33 A): 2 out of 3 assignments used, quality = 0.98: * HA2 GLY 75 + H TYR 76 OK 89 100 - 89 - 3.5=83, 4.9/7028=12...(8) HA TYR 76 + H TYR 76 OK 87 87 - 100 - 3.0=100 HA ASP 131 - H TYR 76 OK 13 57 - 23 - ~9586=6, 3.0/11646=4...(12) Peak 7026 from nnoeabs.peaks (3.90, 8.04, 121.95 ppm; 4.26 A): 1 out of 7 assignments used, quality = 1.00: * HA3 GLY 75 + H TYR 76 OK 100 100 - 100 - 3.5=100 HA ALA 46 - H TYR 76 OK 18 73 - 25 - 2.9/6560=7, 2.1/9191=7...(6) HB3 SER 60 - H TYR 76 OK 10 92 - 11 - 4.6/11140=8, 7021/3.1=1 HB2 SER 60 - H TYR 76 OK 10 92 - 11 - 4.6/11140=8, 7021/3.1=1 HB2 SER 94 - H TYR 76 lone 3 100 - 3 - HA ALA 41 - H TYR 76 lone 2 87 - 2 - HB2 SER 33 - H TYR 76 lone 1 73 - 1 - Peak 7027 from nnoeabs.peaks (4.31, 8.04, 121.95 ppm; 3.33 A): 2 out of 3 assignments used, quality = 1.00: * HA TYR 76 + H TYR 76 OK 100 100 - 100 - 3.0=100 HA2 GLY 75 + H TYR 76 OK 77 87 - 89 - 3.5=83, 4.9/7028=12...(8) HA ASP 131 - H TYR 76 OK 22 96 - 23 - ~9586=6, 3.0/11646=4...(11) Peak 7028 from nnoeabs.peaks (2.76, 8.04, 121.95 ppm; 3.70 A): 1 out of 3 assignments used, quality = 0.98: * HB2 TYR 76 + H TYR 76 OK 98 100 - 98 - 3.8=91, 2.6/7030=27...(11) HB2 ASP 64 - H TYR 76 lone 4 73 - 5 - 2363/3.0=1, 7037/3.1=1 HB3 ASP 35 - H TYR 76 lone 3 65 - 4 - Peak 7029 from nnoeabs.peaks (3.13, 8.04, 121.95 ppm; 3.72 A): 1 out of 3 assignments used, quality = 0.98: * HB3 TYR 76 + H TYR 76 OK 98 100 - 98 - 3.8=92, 1.8/7028=35...(11) HB3 CYS 45 - H TYR 76 OK 26 100 - 27 - 2364/3.0=6, 3.0/1436=5...(8) HB2 HIS 8 - H TYR 76 lone 6 96 - 6 - 2364/3.0=1, 2371/3.8=1 Peak 7030 from nnoeabs.peaks (6.50, 8.04, 121.95 ppm; 4.04 A): 1 out of 1 assignment used, quality = 0.96: * QD TYR 76 + H TYR 76 OK 96 100 - 96 - 4.6=70, 2.6/7028=33...(12) Peak 7031 from nnoeabs.peaks (6.47, 8.04, 121.95 ppm; 4.34 A): 1 out of 1 assignment used, quality = 0.90: * QE TYR 76 + H TYR 76 OK 90 100 - 90 - 2.2/7030=39, 2366/3.0=33...(12) Peak 7032 from nnoeabs.peaks (7.54, 8.04, 121.95 ppm; 3.48 A): 1 out of 4 assignments used, quality = 1.00: * H VAL 77 + H TYR 76 OK 100 100 - 100 - 3.1=100 H LEU 119 - H TYR 76 OK 11 100 - 11 - 2367/3.0=2, ~3754=2...(5) HE22 GLN 27 - H TYR 76 poor 9 73 - 13 - ~11146=9 H THR 54 - H TYR 76 lone 4 81 - 5 - 4.6/11728=1, 9583/3.1=1 Peak 7033 from nnoeabs.peaks (7.58, 8.04, 121.95 ppm; 4.00 A): 1 out of 1 assignment used, quality = 0.87: * H ASP 78 + H TYR 76 OK 87 100 - 87 - 7045/3.1=38, 7047=22...(14) Peak 7034 from nnoeabs.peaks (7.54, 7.54, 116.56 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 77 + H VAL 77 OK 100 100 - 100 Peak 7035 from nnoeabs.peaks (8.04, 7.54, 116.56 ppm; 3.36 A): 2 out of 5 assignments used, quality = 1.00: * H TYR 76 + H VAL 77 OK 100 100 - 100 - 3.1=100 H CYS 79 + H VAL 77 OK 55 100 - 55 - 4.6/7045=17, 9697/4.0=14...(10) H LEU 48 - H VAL 77 lone 9 99 - 9 - 2361/3.6=3, 9751/9637=1...(5) H CYS 125 - H VAL 77 lone 7 100 - 7 - 7047/4.5=1 H SER 130 - H VAL 77 lone 5 73 - 6 - 9675/4.0=2, 4.2/9636=1 Peak 7036 from nnoeabs.peaks (4.31, 7.54, 116.56 ppm; 3.83 A): 1 out of 3 assignments used, quality = 1.00: * HA TYR 76 + H VAL 77 OK 100 100 - 100 - 3.6=100 HA2 GLY 75 - H VAL 77 OK 35 87 - 41 - 4.9/7037=14, 7027/3.1=12...(6) HA ASP 131 - H VAL 77 OK 14 96 - 15 - ~11646=4, 7027/3.1=4...(7) Peak 7037 from nnoeabs.peaks (2.76, 7.54, 116.56 ppm; 4.28 A): 1 out of 3 assignments used, quality = 0.96: * HB2 TYR 76 + H VAL 77 OK 96 100 - 96 - 4.5=83, 7028/3.1=33...(8) HB2 ASP 64 - H VAL 77 lone 5 73 - 7 - 2363/3.6=2, 7028/3.1=1...(5) HB3 ASP 35 - H VAL 77 lone 4 65 - 5 - 9654/4.0=2 Peak 7038 from nnoeabs.peaks (3.13, 7.54, 116.56 ppm; 5.06 A): 1 out of 3 assignments used, quality = 1.00: * HB3 TYR 76 + H VAL 77 OK 100 100 - 100 - 4.5=100 HB3 CYS 45 - H VAL 77 OK 31 100 - 31 - 7029/3.1=9, 2364/3.6=9...(5) HB2 HIS 8 - H VAL 77 lone 9 96 - 9 - 2364/3.6=2, 7029/3.1=2...(4) Peak 7039 from nnoeabs.peaks (6.50, 7.54, 116.56 ppm; 4.73 A): 1 out of 1 assignment used, quality = 0.99: * QD TYR 76 + H VAL 77 OK 99 100 - 99 - 5.0=85, 7030/3.1=38...(10) Peak 7040 from nnoeabs.peaks (6.47, 7.54, 116.56 ppm; 4.90 A): 1 out of 1 assignment used, quality = 0.93: * QE TYR 76 + H VAL 77 OK 93 100 - 93 - 2.2/7039=39, 7031/3.1=37...(9) Peak 7041 from nnoeabs.peaks (3.45, 7.54, 116.56 ppm; 3.62 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 77 + H VAL 77 OK 100 100 - 100 - 3.0=100 Peak 7042 from nnoeabs.peaks (2.33, 7.54, 116.56 ppm; 3.15 A): 3 out of 4 assignments used, quality = 0.88: * HB VAL 77 + H VAL 77 OK 84 100 - 84 - 3.9=52, 2.1/7043=32...(9) HG2 GLU 44 + H VAL 77 OK 12 98 - 12 - 2384/3.0=4, 2396/4.0=3...(4) HB3 GLN 134 + H VAL 77 OK 12 92 - 13 - 4276/3.6=4, 2384/3.0=3...(5) HG3 GLU 30 - H VAL 77 lone 7 98 - 7 - 2384/3.0=2, 2402/4.0=2 Peak 7043 from nnoeabs.peaks (1.06, 7.54, 116.56 ppm; 3.09 A): 1 out of 1 assignment used, quality = 0.81: * QG1 VAL 77 + H VAL 77 OK 81 100 - 81 - 4.0=47, 2.1/7044=23...(10) Peak 7044 from nnoeabs.peaks (1.18, 7.54, 116.56 ppm; 3.47 A): 2 out of 2 assignments used, quality = 0.94: * QG2 VAL 77 + H VAL 77 OK 93 100 - 93 - 4.0=64, 2.1/7043=38...(14) QG2 THR 25 + H VAL 77 OK 14 87 - 16 - 2386/3.0=5, 2392/3.9=4...(4) Peak 7045 from nnoeabs.peaks (7.58, 7.54, 116.56 ppm; 2.89 A): 1 out of 1 assignment used, quality = 0.79: * H ASP 78 + H VAL 77 OK 79 100 - 79 - 7049=43, 7052/4.0=15...(13) Peak 7046 from nnoeabs.peaks (7.58, 7.58, 116.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASP 78 + H ASP 78 OK 100 100 - 100 Peak 7047 from nnoeabs.peaks (8.04, 7.58, 116.40 ppm; 3.16 A): 3 out of 5 assignments used, quality = 0.94: H CYS 79 + H ASP 78 OK 75 100 - 75 - 7059=44, 4.3/2411=14...(12) * H TYR 76 + H ASP 78 OK 74 100 - 74 - 3.1/7045=26, 7033=25...(13) H CYS 125 + H ASP 78 OK 10 100 - 10 - 7783/4.1=3, 3.9/7056=2...(4) H LEU 48 - H ASP 78 lone 7 99 - 7 - 2.9/9687=1 H SER 130 - H ASP 78 lone 3 73 - 4 - 9675/4.2=1 Peak 7048 from nnoeabs.peaks (4.31, 7.58, 116.40 ppm; 4.13 A): 2 out of 3 assignments used, quality = 0.86: * HA TYR 76 + H ASP 78 OK 77 100 - 77 - 3.6/7045=36, 3.0/7033=32...(8) HA2 GLY 75 + H ASP 78 OK 37 87 - 43 - 3.5/7033=28, 9603/4.2=10...(4) HA ASP 131 - H ASP 78 lone 7 96 - 7 - 7036/4.5=2, 7027/7033=2 Peak 7049 from nnoeabs.peaks (7.54, 7.58, 116.40 ppm; 2.81 A): 1 out of 4 assignments used, quality = 0.78: * H VAL 77 + H ASP 78 OK 78 100 - 78 - 7045=46, 4.0/7052=14...(13) H LEU 119 - H ASP 78 lone 8 100 - 8 - 2382/3.6=2, 2400/4.3=2...(5) HE22 GLN 27 - H ASP 78 lone 3 73 - 4 - 2382/3.6=1 H THR 54 - H ASP 78 lone 2 81 - 3 - Peak 7050 from nnoeabs.peaks (3.45, 7.58, 116.40 ppm; 4.03 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 77 + H ASP 78 OK 100 100 - 100 - 3.6=100 Peak 7051 from nnoeabs.peaks (2.33, 7.58, 116.40 ppm; 3.52 A): 3 out of 4 assignments used, quality = 0.93: * HB VAL 77 + H ASP 78 OK 89 100 - 89 - 2393=46, 2.1/7052=41...(11) HG2 GLU 44 + H ASP 78 OK 24 98 - 24 - 1.8/7055=9, 2384/3.6=4...(7) HB3 GLN 134 + H ASP 78 OK 12 92 - 13 - 2384/3.6=3, 2396/4.2=3...(5) HG3 GLU 30 - H ASP 78 lone 9 98 - 9 - 2384/3.6=2, 2402/4.3=2...(4) Peak 7052 from nnoeabs.peaks (1.06, 7.58, 116.40 ppm; 2.89 A): 1 out of 1 assignment used, quality = 0.84: * QG1 VAL 77 + H ASP 78 OK 84 100 - 84 - 2399=46, 2.1/2393=22...(13) Peak 7053 from nnoeabs.peaks (1.18, 7.58, 116.40 ppm; 3.68 A): 1 out of 2 assignments used, quality = 0.94: * QG2 VAL 77 + H ASP 78 OK 94 100 - 94 - 4.3=63, 2.1/7052=43...(12) QG2 THR 25 - H ASP 78 OK 15 87 - 17 - 2386/3.6=5, 2392/4.5=4...(6) Peak 7054 from nnoeabs.peaks (4.38, 7.58, 116.40 ppm; 3.27 A): 1 out of 4 assignments used, quality = 1.00: * HA ASP 78 + H ASP 78 OK 100 100 - 100 - 2.9=100 HA CYS 73 - H ASP 78 OK 31 100 - 31 - 11125=16, 2412/4.1=4...(8) HA SER 107 - H ASP 78 lone 2 96 - 2 - HA SER 9 - H ASP 78 lone 0 57 - 1 - Peak 7055 from nnoeabs.peaks (2.51, 7.58, 116.40 ppm; 3.09 A): 2 out of 2 assignments used, quality = 0.77: * HB2 ASP 78 + H ASP 78 OK 71 100 - 71 - 4.1=44, 1.8/7056=28...(7) HG3 GLU 44 + H ASP 78 OK 20 99 - 20 - 1.8/7051=5, 9141/4.3=5...(7) Peak 7056 from nnoeabs.peaks (2.74, 7.58, 116.40 ppm; 3.24 A): 2 out of 2 assignments used, quality = 0.79: * HB3 ASP 78 + H ASP 78 OK 77 100 - 77 - 4.1=51, 1.8/2411=30...(7) HB2 CYS 125 + H ASP 78 OK 10 99 - 10 - 2409/2.9=3, 7062/4.6=3...(4) Peak 7057 from nnoeabs.peaks (8.04, 7.58, 116.40 ppm; 3.16 A): 3 out of 5 assignments used, quality = 0.94: * H CYS 79 + H ASP 78 OK 75 100 - 75 - 7059=44, 4.3/2411=14...(12) H TYR 76 + H ASP 78 OK 74 100 - 74 - 3.1/7045=26, 7033=25...(13) H CYS 125 + H ASP 78 OK 10 100 - 10 - 7783/4.1=3, 3.9/7056=2...(4) H LEU 48 - H ASP 78 lone 7 99 - 7 - 2.9/9687=1 H SER 130 - H ASP 78 lone 3 73 - 4 - 9675/4.2=1 Peak 7058 from nnoeabs.peaks (8.04, 8.04, 116.97 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H CYS 79 + H CYS 79 OK 100 100 - 100 Peak 7059 from nnoeabs.peaks (7.58, 8.04, 116.97 ppm; 3.30 A): 1 out of 1 assignment used, quality = 0.74: * H ASP 78 + H CYS 79 OK 74 100 - 74 - 4.6=38, 2411/4.3=16...(12) Peak 7060 from nnoeabs.peaks (4.38, 8.04, 116.97 ppm; 3.96 A): 1 out of 4 assignments used, quality = 1.00: * HA ASP 78 + H CYS 79 OK 100 100 - 100 - 3.6=100 HA CYS 73 - H CYS 79 OK 33 100 - 33 - 11125/4.6=17...(4) HA SER 107 - H CYS 79 lone 2 96 - 2 - HA SER 9 - H CYS 79 lone 1 57 - 1 - Peak 7061 from nnoeabs.peaks (2.51, 8.04, 116.97 ppm; 4.23 A): 1 out of 2 assignments used, quality = 0.99: * HB2 ASP 78 + H CYS 79 OK 99 100 - 99 - 4.3=98, 4.1/7059=30...(4) HG3 GLU 44 - H CYS 79 OK 18 99 - 17 - 7055/4.6=6, 2408/3.6=6...(4) Peak 7062 from nnoeabs.peaks (2.74, 8.04, 116.97 ppm; 4.31 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASP 78 + H CYS 79 OK 100 100 - 100 - 4.3=100 HB2 CYS 125 - H CYS 79 OK 31 99 - 31 - 3989=9, 1.8/3995=5...(8) Peak 7063 from nnoeabs.peaks (4.11, 8.04, 116.97 ppm; 3.50 A): 1 out of 6 assignments used, quality = 1.00: * HA CYS 79 + H CYS 79 OK 100 100 - 100 - 2.9=100 HA LEU 48 - H CYS 79 OK 42 98 - 42 - 1483=10, 3.0/1495=4...(15) HA LEU 49 - H CYS 79 OK 17 100 - 17 - 2.9/6596=4, 4.9/1483=3...(5) HA LEU 98 - H CYS 79 OK 14 100 - 14 - 11368/9696=6, 7069/4.6=2 HA ILE 32 - H CYS 79 OK 12 98 - 12 - 10824/4.3=4, 9687/4.6=2 HA GLN 101 - H CYS 79 lone 4 98 - 4 - Peak 7064 from nnoeabs.peaks (1.84, 8.04, 116.97 ppm; 3.72 A): 1 out of 2 assignments used, quality = 0.94: * HB2 CYS 79 + H CYS 79 OK 94 100 - 94 - 3.9=88, 1.8/7065=36, 4.4/7066=21 HB3 LEU 123 - H CYS 79 lone 6 95 - 6 - 2423/2.9=1, 4.6/7771=1 Peak 7065 from nnoeabs.peaks (2.61, 8.04, 116.97 ppm; 3.71 A): 1 out of 2 assignments used, quality = 0.94: * HB3 CYS 79 + H CYS 79 OK 94 100 - 94 - 3.9=88, 1.8/7064=35...(4) HB2 ASN 59 - H CYS 79 lone 2 73 - 3 - Peak 7066 from nnoeabs.peaks (6.96, 8.04, 116.97 ppm; 3.19 A): 1 out of 2 assignments used, quality = 0.69: * H ILE 80 + H CYS 79 OK 69 100 - 69 - 4.6=33, 4.4/7065=14...(10) HE21 GLN 104 - H CYS 79 lone 4 65 - 6 - 9680/4.6=1, 2457/9696=1 Peak 7067 from nnoeabs.peaks (6.96, 6.96, 123.17 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ILE 80 + H ILE 80 OK 100 100 - 100 Peak 7068 from nnoeabs.peaks (8.04, 6.96, 123.17 ppm; 3.28 A): 3 out of 5 assignments used, quality = 0.86: * H CYS 79 + H ILE 80 OK 77 100 - 77 - 7066=47, 7065/4.4=14...(10) H TYR 76 + H ILE 80 OK 26 100 - 26 - 6.5/9704=6, 7033/9680=5...(8) H LEU 48 + H ILE 80 OK 19 99 - 19 - 6576/3.0=5, 2.9/7069=4...(6) H SER 130 - H ILE 80 poor 8 73 - 11 - 4.2/7076=5, 7884/4.4=2...(4) H CYS 125 - H ILE 80 lone 4 100 - 4 - Peak 7069 from nnoeabs.peaks (4.11, 6.96, 123.17 ppm; 3.59 A): 1 out of 6 assignments used, quality = 1.00: * HA CYS 79 + H ILE 80 OK 100 100 - 100 - 3.6=100 HA LEU 48 - H ILE 80 OK 32 98 - 32 - 9203/4.4=16, 2.9/7068=4...(8) HA LEU 98 - H ILE 80 OK 20 100 - 20 - 11368/4.4=16, 7063/4.6=1 HA ILE 32 - H ILE 80 lone 8 98 - 9 - 4.1/9709=4, 7063/4.6=1 HA LEU 49 - H ILE 80 lone 6 100 - 6 - 7063/4.6=2, ~6592=1, 2427/4.4=1 HA GLN 101 - H ILE 80 lone 2 98 - 2 - Peak 7070 from nnoeabs.peaks (1.84, 6.96, 123.17 ppm; 4.48 A): 1 out of 2 assignments used, quality = 1.00: * HB2 CYS 79 + H ILE 80 OK 100 100 - 100 - 4.4=100 HB3 LEU 123 - H ILE 80 lone 5 95 - 5 - 7064/4.6=2, 2423/3.6=1 Peak 7071 from nnoeabs.peaks (2.61, 6.96, 123.17 ppm; 5.32 A): 1 out of 2 assignments used, quality = 1.00: * HB3 CYS 79 + H ILE 80 OK 100 100 - 100 - 4.4=100 HB2 ASN 59 - H ILE 80 lone 4 73 - 5 - 2424/3.6=1, 2429/4.4=1 Peak 7072 from nnoeabs.peaks (4.12, 6.96, 123.17 ppm; 3.59 A): 1 out of 4 assignments used, quality = 1.00: * HA ILE 80 + H ILE 80 OK 100 100 - 100 - 3.0=100 HA3 GLY 114 - H ILE 80 OK 20 100 - 20 - 2451/4.0=4, 2458/4.4=3...(8) HA CYS 45 - H ILE 80 OK 15 98 - 15 - 2451/4.0=2, 2458/4.4=2...(10) HA ALA 52 - H ILE 80 OK 14 81 - 18 - 2451/4.0=3, 2480/4.8=2...(9) Peak 7073 from nnoeabs.peaks (1.74, 6.96, 123.17 ppm; 3.30 A): 2 out of 4 assignments used, quality = 0.90: * HB ILE 80 + H ILE 80 OK 86 100 - 86 - 3.9=60, 3.0/7075=24...(10) HG13 ILE 129 + H ILE 80 OK 27 81 - 34 - 3.2/7076=7, 2452/4.0=5...(11) HB2 LYS 31 - H ILE 80 lone 8 87 - 9 - 3.0/9709=4, 2438/3.0=1 HG3 ARG 90 - H ILE 80 lone 8 92 - 9 - 2438/3.0=2, 2473/5.0=2...(4) Peak 7074 from nnoeabs.peaks (0.81, 6.96, 123.17 ppm; 3.29 A): 3 out of 4 assignments used, quality = 0.91: * QG2 ILE 80 + H ILE 80 OK 85 100 - 85 - 4.0=57, 3.2/7075=22...(10) QG2 ILE 129 + H ILE 80 OK 27 73 - 37 - 2439/3.0=5, 3.2/7073=5...(13) QD1 LEU 70 + H ILE 80 OK 16 92 - 17 - 2439/3.0=3, 2467/4.4=3...(6) QD1 LEU 122 - H ILE 80 lone 5 81 - 7 - 2439/3.0=1, 2446/3.9=1 Peak 7075 from nnoeabs.peaks (1.21, 6.96, 123.17 ppm; 3.58 A): 1 out of 1 assignment used, quality = 0.89: * HG12 ILE 80 + H ILE 80 OK 89 100 - 89 - 4.4=53, 2.1/7077=32...(12) Peak 7076 from nnoeabs.peaks (0.82, 6.96, 123.17 ppm; 3.37 A): 3 out of 3 assignments used, quality = 0.93: * HG13 ILE 80 + H ILE 80 OK 86 100 - 86 - 4.4=44, 1.8/7075=33...(9) QG2 ILE 129 + H ILE 80 OK 43 99 - 43 - 2441/3.0=8, 2455/4.0=8...(13) QD1 LEU 70 + H ILE 80 OK 15 92 - 16 - 2455/4.0=4, 2441/3.0=3...(6) Peak 7077 from nnoeabs.peaks (0.27, 6.96, 123.17 ppm; 3.72 A): 1 out of 1 assignment used, quality = 0.90: * QD1 ILE 80 + H ILE 80 OK 90 100 - 90 - 5.0=42, 2.1/7075=36...(15) Peak 7078 from nnoeabs.peaks (6.94, 6.94, 112.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 82 + HE21 GLN 82 OK 100 100 - 100 Peak 7079 from nnoeabs.peaks (2.44, 6.94, 112.44 ppm; 3.89 A): 2 out of 2 assignments used, quality = 1.00: * HG2 GLN 82 + HE21 GLN 82 OK 100 100 - 100 - 3.5=100 HG3 GLN 82 + HE21 GLN 82 OK 65 65 - 100 - 3.5=100 Peak 7080 from nnoeabs.peaks (2.45, 6.94, 112.44 ppm; 3.89 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLN 82 + HE21 GLN 82 OK 100 100 - 100 - 3.5=100 HG2 GLN 82 + HE21 GLN 82 OK 65 65 - 100 - 3.5=100 Peak 7081 from nnoeabs.peaks (7.64, 6.94, 112.44 ppm; 2.50 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 82 + HE21 GLN 82 OK 100 100 - 100 - 1.7=100 Peak 7082 from nnoeabs.peaks (7.64, 7.64, 112.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 82 + HE22 GLN 82 OK 100 100 - 100 Peak 7083 from nnoeabs.peaks (2.44, 7.64, 112.44 ppm; 3.41 A): 2 out of 2 assignments used, quality = 0.97: * HG2 GLN 82 + HE22 GLN 82 OK 93 100 - 93 - 3.5=92, 11243/5.9=5, 11257/7.0=3 HG3 GLN 82 + HE22 GLN 82 OK 61 65 - 93 - 3.5=92, 11243/5.9=4, 11257/7.0=2 Peak 7084 from nnoeabs.peaks (2.45, 7.64, 112.44 ppm; 3.41 A): 2 out of 2 assignments used, quality = 0.97: * HG3 GLN 82 + HE22 GLN 82 OK 93 100 - 93 - 3.5=92, 11210/5.9=8, 11227/7.0=5 HG2 GLN 82 + HE22 GLN 82 OK 61 65 - 93 - 3.5=92, 11243/5.9=4, 11257/7.0=2 Peak 7085 from nnoeabs.peaks (6.94, 7.64, 112.44 ppm; 2.50 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 82 + HE22 GLN 82 OK 100 100 - 100 - 1.7=100 Peak 7086 from nnoeabs.peaks (9.00, 9.00, 120.08 ppm; diagonal): 1 out of 1 assignment used, quality = 0.97: * H ARG 84 + H ARG 84 OK 97 97 - 100 Peak 7087 from nnoeabs.peaks (3.75, 9.00, 120.08 ppm; 4.63 A): 1 out of 1 assignment used, quality = 0.99: * HA THR 83 + H ARG 84 OK 99 99 - 100 - 3.6=100 Peak 7088 from nnoeabs.peaks (4.17, 9.00, 120.08 ppm; 3.41 A): 1 out of 2 assignments used, quality = 0.84: * HB THR 83 + H ARG 84 OK 84 99 - 85 - 4.4=47, 2.1/2520=29...(10) HA LEU 53 - H ARG 84 lone 2 54 - 4 - 2518/4.3=1, 2507/3.6=1 Peak 7089 from nnoeabs.peaks (1.24, 9.00, 120.08 ppm; 3.89 A): 1 out of 2 assignments used, quality = 0.93: * QG2 THR 83 + H ARG 84 OK 93 99 - 94 - 4.3=73, 2.1/2516=39...(7) QG2 THR 54 - H ARG 84 lone 7 98 - 7 - 2508/3.6=2, 11222/4.7=2...(4) Peak 7090 from nnoeabs.peaks (4.25, 9.00, 120.08 ppm; 3.44 A): 1 out of 4 assignments used, quality = 0.99: * HA ARG 84 + H ARG 84 OK 99 99 - 100 - 2.8=100 HA GLN 27 - H ARG 84 lone 8 93 - 9 - 2534/3.9=2, 2543/3.9=2 HA SER 124 - H ARG 84 lone 4 77 - 5 - HA ALA 28 - H ARG 84 lone 1 54 - 2 - Peak 7091 from nnoeabs.peaks (1.81, 9.00, 120.08 ppm; 3.37 A): 2 out of 8 assignments used, quality = 0.89: * HB2 ARG 84 + H ARG 84 OK 87 99 - 88 - 3.9=64, 1.8/2542=31...(10) HB3 ARG 135 + H ARG 84 OK 18 62 - 30 - 1.8/7092=8, ~11275=6...(8) HB3 LYS 31 - H ARG 84 lone 6 96 - 6 - 4.6/11197=3 HB3 LYS 19 - H ARG 84 lone 4 96 - 4 - HB3 LEU 123 - H ARG 84 lone 3 53 - 6 - ~9784=3, 2523/2.8=1 HB ILE 32 - H ARG 84 lone 3 62 - 4 - 4.0/11197=3 HB3 LYS 24 - H ARG 84 lone 2 89 - 2 - HB2 LYS 36 - H ARG 84 lone 1 70 - 1 - Peak 7092 from nnoeabs.peaks (1.90, 9.00, 120.08 ppm; 3.29 A): 2 out of 6 assignments used, quality = 0.89: * HB3 ARG 84 + H ARG 84 OK 85 99 - 86 - 3.9=60, 1.8/2533=27...(11) HB2 ARG 135 + H ARG 84 OK 28 97 - 30 - 2524/2.8=7, ~11275=5...(8) HB3 LEU 123 - H ARG 84 lone 3 63 - 5 - ~9784=3, 2524/2.8=1 HB2 PRO 113 - H ARG 84 lone 3 84 - 4 - 2524/2.8=1 HB2 GLU 40 - H ARG 84 lone 3 89 - 3 - HB2 ARG 90 - H ARG 84 lone 2 62 - 4 - 4.4/11197=2 Peak 7093 from nnoeabs.peaks (1.64, 9.00, 120.08 ppm; 3.51 A): 2 out of 3 assignments used, quality = 0.98: HG3 ARG 84 + H ARG 84 OK 84 99 - 86 - 4.6=46, 3.0/2542=26...(13) * HG2 ARG 84 + H ARG 84 OK 84 99 - 86 - 4.6=46, 3.0/2542=26...(13) HG LEU 43 - H ARG 84 lone 3 84 - 4 - Peak 7094 from nnoeabs.peaks (1.64, 9.00, 120.08 ppm; 3.51 A): 2 out of 3 assignments used, quality = 0.98: * HG3 ARG 84 + H ARG 84 OK 84 99 - 86 - 4.6=46, 3.0/2542=26...(13) HG2 ARG 84 + H ARG 84 OK 84 99 - 86 - 4.6=46, 3.0/2542=26...(13) HG LEU 43 - H ARG 84 lone 3 84 - 4 - Peak 7095 from nnoeabs.peaks (3.20, 9.00, 120.08 ppm; 4.40 A): 2 out of 3 assignments used, quality = 1.00: HD3 ARG 84 + H ARG 84 OK 94 99 - 96 - 5.7=46, 4.0/2542=30...(16) * HD2 ARG 84 + H ARG 84 OK 94 99 - 96 - 5.7=46, 4.0/2542=30...(16) HB3 CYS 125 - H ARG 84 lone 3 70 - 4 - Peak 7096 from nnoeabs.peaks (3.20, 9.00, 120.08 ppm; 4.40 A): 2 out of 3 assignments used, quality = 1.00: * HD3 ARG 84 + H ARG 84 OK 94 99 - 96 - 5.7=46, 4.0/2542=30...(16) HD2 ARG 84 + H ARG 84 OK 94 99 - 96 - 5.7=46, 4.0/2542=30...(16) HB3 CYS 125 - H ARG 84 lone 3 70 - 4 - Peak 7097 from nnoeabs.peaks (7.27, 9.00, 120.08 ppm; 3.91 A): 1 out of 3 assignments used, quality = 0.99: * H ASN 85 + H ARG 84 OK 99 99 - 100 - 3.7=100 QE PHE 87 - H ARG 84 OK 34 97 - 35 - 2529/2.8=9, 9771/3.6=6...(10) HD2 HIS 10 - H ARG 84 lone 9 89 - 10 - 2529/2.8=2, 2550/3.9=2 Peak 7098 from nnoeabs.peaks (8.34, 9.00, 120.08 ppm; 5.35 A): 2 out of 3 assignments used, quality = 0.89: * H LYS 86 + H ARG 84 OK 86 99 - 87 - 7131/2.8=38, 7129/3.6=35...(6) H GLU 44 + H ARG 84 OK 21 77 - 27 - 3.9/11198=16, 2510/3.6=4...(4) H LYS 19 - H ARG 84 lone 4 62 - 7 - 2510/3.6=2, 3.9/7091=2 Peak 7099 from nnoeabs.peaks (7.27, 7.27, 117.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASN 85 + H ASN 85 OK 100 100 - 100 Peak 7100 from nnoeabs.peaks (3.75, 7.27, 117.40 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.71: * HA THR 83 + H ASN 85 OK 71 100 - 71 - 7129/3.9=45, 3.0/9774=23...(4) Peak 7101 from nnoeabs.peaks (9.00, 7.27, 117.40 ppm; 4.56 A): 1 out of 1 assignment used, quality = 0.99: * H ARG 84 + H ASN 85 OK 99 99 - 100 - 3.7=100 Peak 7102 from nnoeabs.peaks (4.25, 7.27, 117.40 ppm; 5.04 A): 1 out of 4 assignments used, quality = 1.00: * HA ARG 84 + H ASN 85 OK 100 100 - 100 - 3.6=100 HA GLN 27 - H ASN 85 OK 15 96 - 16 - 2534/4.7=3, 7090/3.7=3...(4) HA SER 124 - H ASN 85 lone 7 81 - 9 - 2534/4.7=2, 2543/4.7=2...(4) HA ALA 28 - H ASN 85 lone 2 57 - 4 - Peak 7103 from nnoeabs.peaks (1.81, 7.27, 117.40 ppm; 4.76 A): 1 out of 8 assignments used, quality = 1.00: * HB2 ARG 84 + H ASN 85 OK 100 100 - 100 - 4.7=100 HB3 ARG 135 - H ASN 85 OK 26 65 - 41 - 3.7/11885=13...(6) HB3 LYS 19 - H ASN 85 lone 8 98 - 7 - 2523/3.6=1, 7091/3.7=1 HB3 LYS 31 - H ASN 85 lone 7 98 - 7 - 7091/3.7=2, 2523/3.6=2 HB3 LYS 24 - H ASN 85 lone 4 92 - 4 - HB3 LEU 123 - H ASN 85 lone 3 56 - 5 - 2523/3.6=2 HB ILE 32 - H ASN 85 lone 2 65 - 3 - HB2 LYS 36 - H ASN 85 lone 2 73 - 2 - Peak 7104 from nnoeabs.peaks (1.90, 7.27, 117.40 ppm; 5.03 A): 2 out of 6 assignments used, quality = 1.00: * HB3 ARG 84 + H ASN 85 OK 100 100 - 100 - 4.7=100 HB2 ARG 135 + H ASN 85 OK 49 99 - 50 - 3.7/11885=14...(9) HB2 PRO 113 - H ASN 85 lone 9 87 - 10 - 11279/5.3=2, 2524/3.6=2...(5) HB2 GLU 40 - H ASN 85 lone 8 92 - 8 - 2524/3.6=2, 4354/11885=2...(4) HB2 ARG 90 - H ASN 85 lone 5 65 - 8 - 2723/2719=2, 4.4/7115=2 HB3 LEU 123 - H ASN 85 lone 4 66 - 5 - 2524/3.6=2, 7092/3.7=1 Peak 7105 from nnoeabs.peaks (1.64, 7.27, 117.40 ppm; 4.67 A): 2 out of 3 assignments used, quality = 0.96: HG3 ARG 84 + H ASN 85 OK 81 100 - 81 - 3.0/2550=22, 3.0/2541=21...(10) * HG2 ARG 84 + H ASN 85 OK 81 100 - 81 - 3.0/2550=22, 3.0/2541=21...(10) HG LEU 43 - H ASN 85 lone 7 87 - 8 - 1374/3.9=3, 11278/3.6=1 Peak 7106 from nnoeabs.peaks (1.64, 7.27, 117.40 ppm; 4.67 A): 2 out of 3 assignments used, quality = 0.96: * HG3 ARG 84 + H ASN 85 OK 81 100 - 81 - 3.0/2550=22, 3.0/2541=21...(10) HG2 ARG 84 + H ASN 85 OK 81 100 - 81 - 3.0/2550=22, 3.0/2541=21...(10) HG LEU 43 - H ASN 85 lone 7 87 - 8 - 1374/3.9=3, 11278/3.6=1 Peak 7107 from nnoeabs.peaks (3.20, 7.27, 117.40 ppm; 6.76 A): 2 out of 3 assignments used, quality = 0.99: HD3 ARG 84 + H ASN 85 OK 90 100 - 90 - 4.0/2550=30, 4.0/2541=29...(10) * HD2 ARG 84 + H ASN 85 OK 90 100 - 90 - 4.0/2550=30, 4.0/2541=29...(10) HB3 CYS 125 - H ASN 85 lone 5 73 - 6 - Peak 7108 from nnoeabs.peaks (3.20, 7.27, 117.40 ppm; 6.76 A): 2 out of 3 assignments used, quality = 0.99: * HD3 ARG 84 + H ASN 85 OK 90 100 - 90 - 4.0/2550=30, 4.0/2541=29...(10) HD2 ARG 84 + H ASN 85 OK 90 100 - 90 - 4.0/2550=30, 4.0/2541=29...(10) HB3 CYS 125 - H ASN 85 lone 5 73 - 6 - Peak 7109 from nnoeabs.peaks (4.81, 7.27, 117.40 ppm; 4.51 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 85 + H ASN 85 OK 100 100 - 100 - 2.9=100 Peak 7110 from nnoeabs.peaks (2.69, 7.27, 117.40 ppm; 4.79 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 85 + H ASN 85 OK 100 100 - 100 - 3.6=100 Peak 7111 from nnoeabs.peaks (2.82, 7.27, 117.40 ppm; 4.55 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ASN 85 + H ASN 85 OK 100 100 - 100 - 3.6=100 HB3 ASP 71 - H ASN 85 poor 8 73 - 11 - 2599/3.6=2, 2590/2.9=2...(6) HB2 ASN 13 - H ASN 85 lone 6 73 - 7 - 2590/2.9=2, 2599/3.6=2...(4) Peak 7113 from nnoeabs.peaks (8.08, 7.27, 117.40 ppm; 5.67 A): 1 out of 5 assignments used, quality = 1.00: * HD22 ASN 85 + H ASN 85 OK 100 100 - 100 - 5.3=100 H LEU 103 - H ASN 85 OK 31 100 - 31 - 7137/3.9=13, 2601/3.6=6...(5) H ASN 120 - H ASN 85 OK 26 92 - 28 - 7137/3.9=11, 2608/3.6=8...(5) H ALA 108 - H ASN 85 OK 11 100 - 11 - 7137/3.9=3, 2601/3.6=2 H ALA 109 - H ASN 85 lone 7 100 - 7 - 7137/3.9=2, 2601/3.6=1 Peak 7114 from nnoeabs.peaks (8.34, 7.27, 117.40 ppm; 4.20 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 86 + H ASN 85 OK 100 100 - 100 - 3.9=100 H GLU 44 - H ASN 85 lone 6 81 - 7 - 7098/3.7=4 H LYS 19 - H ASN 85 lone 3 65 - 5 - 3.9/7103=1 Peak 7115 from nnoeabs.peaks (8.12, 7.27, 117.40 ppm; 5.28 A): 2 out of 3 assignments used, quality = 0.92: * H PHE 87 + H ASN 85 OK 90 100 - 90 - 7151/3.6=40, 7154/3.9=33...(12) H ASN 121 + H ASN 85 OK 17 92 - 19 - 7147/3.9=7, 4.1/7113=4...(4) H GLU 91 - H ASN 85 poor 8 65 - 12 - 7147/3.9=4, 2530/3.6=2...(4) Peak 7116 from nnoeabs.peaks (7.25, 7.25, 114.49 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 85 + HD21 ASN 85 OK 100 100 - 100 Peak 7118 from nnoeabs.peaks (4.81, 7.25, 114.49 ppm; 5.07 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 85 + HD21 ASN 85 OK 100 100 - 100 - 4.5=100 Peak 7119 from nnoeabs.peaks (2.69, 7.25, 114.49 ppm; 4.11 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 85 + HD21 ASN 85 OK 100 100 - 100 - 3.5=100 Peak 7120 from nnoeabs.peaks (2.82, 7.25, 114.49 ppm; 3.96 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ASN 85 + HD21 ASN 85 OK 100 100 - 100 - 3.5=100 HB3 ASP 71 - HD21 ASN 85 lone 6 73 - 8 - 7126/1.7=2, 2599/3.5=2...(4) HB2 ASN 13 - HD21 ASN 85 lone 5 73 - 6 - 7126/1.7=2, 2599/3.5=1 Peak 7121 from nnoeabs.peaks (8.08, 7.25, 114.49 ppm; 2.79 A): 1 out of 5 assignments used, quality = 1.00: * HD22 ASN 85 + HD21 ASN 85 OK 100 100 - 100 - 1.7=100 H LEU 103 - HD21 ASN 85 poor 10 100 - 10 - 4.6/9798=4, 2608/3.5=2...(5) H ASN 120 - HD21 ASN 85 lone 5 92 - 5 - 2608/3.5=2, 2601/3.5=1 H ALA 108 - HD21 ASN 85 lone 3 100 - 2 - H ALA 109 - HD21 ASN 85 lone 2 100 - 1 - Peak 7122 from nnoeabs.peaks (8.08, 8.08, 114.49 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 85 + HD22 ASN 85 OK 100 100 - 100 Peak 7124 from nnoeabs.peaks (4.81, 8.08, 114.49 ppm; 5.72 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 85 + HD22 ASN 85 OK 100 100 - 100 - 4.5=100 Peak 7125 from nnoeabs.peaks (2.69, 8.08, 114.49 ppm; 4.47 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 85 + HD22 ASN 85 OK 100 100 - 100 - 3.5=100 Peak 7126 from nnoeabs.peaks (2.82, 8.08, 114.49 ppm; 4.40 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ASN 85 + HD22 ASN 85 OK 100 100 - 100 - 3.5=100 HB3 ASP 71 - HD22 ASN 85 poor 8 73 - 11 - 7120/1.7=3, 2599/3.5=2...(4) HB2 ASN 13 - HD22 ASN 85 lone 6 73 - 8 - 7120/1.7=2, 2599/3.5=2 Peak 7127 from nnoeabs.peaks (7.25, 8.08, 114.49 ppm; 2.86 A): 1 out of 2 assignments used, quality = 1.00: * HD21 ASN 85 + HD22 ASN 85 OK 100 100 - 100 - 1.7=100 HE ARG 84 - HD22 ASN 85 lone 6 87 - 7 - 2607/3.5=2, 5.1/9807=2 Peak 7128 from nnoeabs.peaks (8.34, 8.34, 124.24 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 86 + H LYS 86 OK 100 100 - 100 Peak 7129 from nnoeabs.peaks (3.75, 8.34, 124.24 ppm; 4.86 A): 1 out of 1 assignment used, quality = 0.92: * HA THR 83 + H LYS 86 OK 92 100 - 92 - 2510=30, 3.2/11241=30...(11) Peak 7130 from nnoeabs.peaks (9.00, 8.34, 124.24 ppm; 6.24 A): 1 out of 1 assignment used, quality = 0.91: * H ARG 84 + H LYS 86 OK 91 99 - 92 - 3.6/7129=43, 2.8/7131=42...(6) Peak 7131 from nnoeabs.peaks (4.25, 8.34, 124.24 ppm; 4.18 A): 1 out of 4 assignments used, quality = 0.67: * HA ARG 84 + H LYS 86 OK 67 100 - 67 - 7151/4.3=24, 3.6/7132=22...(8) HA GLN 27 - H LYS 86 lone 7 96 - 7 - 7102/3.9=3, 7151/4.3=2 HA SER 124 - H LYS 86 lone 3 81 - 4 - 7102/3.9=1 HA ALA 28 - H LYS 86 lone 1 57 - 1 - Peak 7132 from nnoeabs.peaks (7.27, 8.34, 124.24 ppm; 3.76 A): 2 out of 3 assignments used, quality = 0.95: * H ASN 85 + H LYS 86 OK 92 100 - 92 - 3.9=86, 3.6/7131=19...(7) QE PHE 87 + H LYS 86 OK 29 99 - 29 - 7152/4.3=9, 4.4/9844=6...(9) HD2 HIS 10 - H LYS 86 lone 3 92 - 3 - Peak 7133 from nnoeabs.peaks (4.81, 8.34, 124.24 ppm; 4.52 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 85 + H LYS 86 OK 100 100 - 100 - 3.6=100 Peak 7134 from nnoeabs.peaks (2.69, 8.34, 124.24 ppm; 5.53 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 85 + H LYS 86 OK 100 100 - 100 - 4.4=100 Peak 7135 from nnoeabs.peaks (2.82, 8.34, 124.24 ppm; 4.67 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ASN 85 + H LYS 86 OK 100 100 - 100 - 4.4=100 HB3 ASP 71 - H LYS 86 lone 5 73 - 7 - 7111/3.9=2, 2590/3.6=2 HB2 ASN 13 - H LYS 86 lone 4 73 - 6 - 2590/3.6=2, 2599/4.4=2 Peak 7137 from nnoeabs.peaks (8.08, 8.34, 124.24 ppm; 3.96 A): 0 out of 5 assignments used, low quality = 0.43: ! HD22 ASN 85 - H LYS 86 OK 19 100 - 19 - 5.3/7132=12, 9810/9813=2 H LEU 103 - H LYS 86 OK 18 100 - 18 - 3.9/7139=4, 2601/4.4=3...(6) H ASN 120 - H LYS 86 OK 15 92 - 16 - 4.1/7147=4, 2608/4.4=4...(6) H ALA 108 - H LYS 86 lone 5 100 - 5 - 2608/4.4=1, 2601/4.4=1 H ALA 109 - H LYS 86 lone 3 100 - 3 - Peak 7138 from nnoeabs.peaks (3.89, 8.34, 124.24 ppm; 4.20 A): 1 out of 7 assignments used, quality = 1.00: * HA LYS 86 + H LYS 86 OK 100 100 - 100 - 2.9=100 HA LEU 70 - H LYS 86 OK 19 87 - 21 - 3.8/9813=4, 2638/4.0=3...(9) HA2 GLY 114 - H LYS 86 OK 13 92 - 14 - 2638/4.0=2, 2626/4.0=2...(7) HB3 SER 50 - H LYS 86 OK 13 100 - 12 - 2638/4.0=2, 2626/4.0=2...(6) HA2 GLY 2 - H LYS 86 OK 11 87 - 12 - 2626/4.0=2, 2638/4.0=2...(5) HA3 GLY 2 - H LYS 86 OK 11 87 - 12 - 2626/4.0=2, 2638/4.0=2...(5) HA ALA 46 - H LYS 86 lone 5 73 - 6 - 2.9/6551=1 Peak 7139 from nnoeabs.peaks (1.79, 8.34, 124.24 ppm; 3.58 A): 2 out of 4 assignments used, quality = 0.93: * HB2 LYS 86 + H LYS 86 OK 91 100 - 91 - 4.0=73, 1.8/7140=21...(11) HB3 LEU 122 + H LYS 86 OK 30 100 - 30 - 2612/2.9=6, 2639/4.0=5...(10) HB3 LEU 103 - H LYS 86 OK 24 99 - 24 - 3.9/7137=6, 2612/2.9=4...(7) HB3 LEU 123 - H LYS 86 lone 1 34 - 4 - Peak 7140 from nnoeabs.peaks (1.95, 8.34, 124.24 ppm; 3.84 A): 1 out of 4 assignments used, quality = 0.97: * HB3 LYS 86 + H LYS 86 OK 97 100 - 97 - 4.0=90, 1.8/2625=33...(12) HB3 ARG 90 - H LYS 86 OK 28 96 - 29 - 7157/4.3=6, 2613/2.9=6...(9) HB2 GLU 30 - H LYS 86 OK 18 100 - 18 - 2613/2.9=4, 2628/4.0=3...(6) HB2 PRO 58 - H LYS 86 OK 10 87 - 12 - 2613/2.9=3, 2628/4.0=2...(5) Peak 7141 from nnoeabs.peaks (1.42, 8.34, 124.24 ppm; 4.28 A): 1 out of 3 assignments used, quality = 0.97: * HG2 LYS 86 + H LYS 86 OK 97 100 - 97 - 4.5=88, 1.8/7142=31...(14) QB ALA 34 - H LYS 86 OK 35 99 - 35 - 10877/4.0=9, 2614/2.9=8...(8) QB ALA 92 - H LYS 86 OK 11 65 - 17 - 9948/4.0=3, 2614/2.9=3...(6) Peak 7142 from nnoeabs.peaks (1.47, 8.34, 124.24 ppm; 3.98 A): 3 out of 3 assignments used, quality = 0.94: * HG3 LYS 86 + H LYS 86 OK 92 100 - 92 - 4.5=71, 3.0/2625=27...(12) QB ALA 52 + H LYS 86 OK 16 92 - 17 - 2615/2.9=4, 2642/4.0=4...(5) HG3 LYS 36 + H LYS 86 OK 15 73 - 20 - 2642/4.0=4, 2615/2.9=3...(10) Peak 7143 from nnoeabs.peaks (1.66, 8.34, 124.24 ppm; 4.02 A): 3 out of 13 assignments used, quality = 0.99: * HD2 LYS 86 + H LYS 86 OK 84 100 - 84 - 5.6=36, 3.5/2625=24...(17) HD3 LYS 86 + H LYS 86 OK 84 100 - 84 - 5.6=36, 3.5/2625=24...(17) QB ALA 88 + H LYS 86 OK 63 99 - 63 - 2750/3.6=30, 3.0/7175=20...(10) HD3 LYS 24 - H LYS 86 OK 19 100 - 19 - 2632/4.0=2, 2644/4.0=2...(9) HD2 LYS 24 - H LYS 86 OK 19 99 - 19 - 2632/4.0=2, 2643/4.0=2...(9) HD3 LYS 31 - H LYS 86 OK 13 100 - 13 - 2644/4.0=2, 2631/4.0=1...(6) HD2 LYS 31 - H LYS 86 OK 13 99 - 13 - 2643/4.0=2, 2631/4.0=1...(6) HD3 LYS 26 - H LYS 86 lone 8 100 - 8 - HD2 LYS 26 - H LYS 86 lone 8 100 - 8 - HB2 LEU 123 - H LYS 86 lone 5 65 - 8 - 9755/7129=3, 9759/11241=2 HD2 LYS 95 - H LYS 86 lone 4 92 - 4 - HD3 LYS 95 - H LYS 86 lone 4 100 - 4 - HB2 LEU 98 - H LYS 86 lone 4 81 - 5 - 7160/4.3=1 Peak 7144 from nnoeabs.peaks (1.66, 8.34, 124.24 ppm; 4.02 A): 3 out of 13 assignments used, quality = 0.99: HD2 LYS 86 + H LYS 86 OK 84 100 - 84 - 5.6=36, 3.5/2625=24...(17) * HD3 LYS 86 + H LYS 86 OK 84 100 - 84 - 5.6=36, 3.5/2625=24...(17) QB ALA 88 + H LYS 86 OK 63 99 - 63 - 2750/3.6=30, 3.0/7175=20...(10) HD3 LYS 24 - H LYS 86 OK 19 100 - 19 - 2632/4.0=2, 2644/4.0=2...(9) HD2 LYS 24 - H LYS 86 OK 19 99 - 19 - 2632/4.0=2, 2643/4.0=2...(9) HD3 LYS 31 - H LYS 86 OK 13 100 - 13 - 2644/4.0=2, 2631/4.0=1...(6) HD2 LYS 31 - H LYS 86 OK 13 99 - 13 - 2643/4.0=2, 2631/4.0=1...(6) HD3 LYS 26 - H LYS 86 lone 8 100 - 8 - HD2 LYS 26 - H LYS 86 lone 8 100 - 8 - HB2 LEU 123 - H LYS 86 lone 5 65 - 8 - 9755/7129=3, 9759/11241=2 HD2 LYS 95 - H LYS 86 lone 4 92 - 4 - HD3 LYS 95 - H LYS 86 lone 4 100 - 4 - HB2 LEU 98 - H LYS 86 lone 4 81 - 5 - 7160/4.3=1 Peak 7147 from nnoeabs.peaks (8.12, 8.34, 124.24 ppm; 3.79 A): 3 out of 3 assignments used, quality = 0.95: * H PHE 87 + H LYS 86 OK 92 100 - 92 - 4.3=70, 2635/4.0=16...(18) H ASN 121 + H LYS 86 OK 22 92 - 24 - 4.1/7137=5, 2635/4.0=4...(7) H GLU 91 + H LYS 86 OK 12 65 - 18 - 4.4/7140=4, 2647/4.0=3...(8) Peak 7148 from nnoeabs.peaks (7.86, 8.34, 124.24 ppm; 6.09 A): 1 out of 3 assignments used, quality = 0.94: * H ALA 88 + H LYS 86 OK 94 100 - 94 - 7174/3.6=47, 7175=44...(13) H GLU 102 - H LYS 86 OK 20 81 - 25 - 3.0/7137=15, 7170/4.3=3...(5) H GLN 68 - H LYS 86 lone 8 87 - 9 - 7170/4.3=4, 11180/9753=3 Peak 7149 from nnoeabs.peaks (8.12, 8.12, 118.33 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H PHE 87 + H PHE 87 OK 100 100 - 100 Peak 7150 from nnoeabs.peaks (3.75, 8.12, 118.33 ppm; 5.01 A): 1 out of 1 assignment used, quality = 0.82: * HA THR 83 + H PHE 87 OK 82 100 - 82 - 4.9/7151=29, 7129/4.3=28...(9) Peak 7151 from nnoeabs.peaks (4.25, 8.12, 118.33 ppm; 3.43 A): 1 out of 4 assignments used, quality = 0.68: * HA ARG 84 + H PHE 87 OK 68 100 - 68 - 2530=21, 7173/4.3=15...(11) HA GLN 27 - H PHE 87 lone 5 96 - 5 - 7173/4.3=1, 7131/4.3=1 HA SER 124 - H PHE 87 lone 2 81 - 2 - HA ALA 28 - H PHE 87 lone 1 57 - 1 - Peak 7152 from nnoeabs.peaks (7.27, 8.12, 118.33 ppm; 4.19 A): 2 out of 3 assignments used, quality = 0.95: * H ASN 85 + H PHE 87 OK 78 100 - 78 - 3.6/7151=29, 3.9/7154=23...(11) QE PHE 87 + H PHE 87 OK 75 99 - 76 - 2.2/7167=30, 6.3=30...(10) HD2 HIS 10 - H PHE 87 lone 5 92 - 5 - Peak 7153 from nnoeabs.peaks (4.81, 8.12, 118.33 ppm; 5.69 A): 1 out of 1 assignment used, quality = 0.89: * HA ASN 85 + H PHE 87 OK 89 100 - 89 - 7174/4.3=40, 3.6/7154=38...(7) Peak 7154 from nnoeabs.peaks (8.34, 8.12, 118.33 ppm; 3.72 A): 2 out of 3 assignments used, quality = 0.92: * H LYS 86 + H PHE 87 OK 91 100 - 91 - 4.3=66, 4.0/2635=15...(18) H LYS 19 + H PHE 87 OK 10 65 - 15 - 2625/4.6=3, 2610/3.6=3...(6) H GLU 44 - H PHE 87 poor 9 81 - 11 - 2610/3.6=3, 2637/4.6=2 Peak 7155 from nnoeabs.peaks (3.89, 8.12, 118.33 ppm; 4.70 A): 1 out of 7 assignments used, quality = 1.00: * HA LYS 86 + H PHE 87 OK 100 100 - 100 - 3.6=100 HA LEU 70 - H PHE 87 OK 15 87 - 17 - 3.8/9831=5, 7138/4.3=3...(4) HA2 GLY 114 - H PHE 87 OK 12 92 - 13 - ~2722=4, 2626/4.6=2...(5) HB3 SER 50 - H PHE 87 lone 9 100 - 9 - 2626/4.6=2, 2638/4.6=2 HA2 GLY 2 - H PHE 87 lone 8 87 - 9 - 2626/4.6=2, 2638/4.6=2 HA3 GLY 2 - H PHE 87 lone 8 87 - 9 - 2626/4.6=2, 2638/4.6=2 HA ALA 46 - H PHE 87 lone 3 73 - 4 - 7190/7171=1 Peak 7156 from nnoeabs.peaks (1.79, 8.12, 118.33 ppm; 3.82 A): 3 out of 4 assignments used, quality = 0.90: * HB2 LYS 86 + H PHE 87 OK 84 100 - 84 - 4.6=59, 1.8/7157=21...(10) HB3 LEU 122 + H PHE 87 OK 23 100 - 23 - 2612/3.6=6, 2639/4.6=5...(7) HB3 LEU 103 + H PHE 87 OK 16 99 - 16 - 2612/3.6=4, 7139/4.3=4 HB3 LEU 123 - H PHE 87 lone 2 34 - 6 - 3.9/7739=2 Peak 7157 from nnoeabs.peaks (1.95, 8.12, 118.33 ppm; 3.82 A): 3 out of 4 assignments used, quality = 0.94: * HB3 LYS 86 + H PHE 87 OK 86 100 - 86 - 4.6=59, 1.8/2635=27...(9) HB3 ARG 90 + H PHE 87 OK 48 96 - 50 - 2804/2.9=16, ~2794=9...(12) HB2 GLU 30 + H PHE 87 OK 13 100 - 13 - 2613/3.6=3, 2628/4.6=3...(4) HB2 PRO 58 - H PHE 87 lone 9 87 - 10 - 2613/3.6=2, 2628/4.6=2...(4) Peak 7158 from nnoeabs.peaks (1.42, 8.12, 118.33 ppm; 5.33 A): 3 out of 3 assignments used, quality = 0.94: * HG2 LYS 86 + H PHE 87 OK 88 100 - 88 - 3.0/2635=33, 4.5/7154=30...(10) QB ALA 34 + H PHE 87 OK 38 99 - 38 - 10877/4.6=12...(5) QB ALA 92 + H PHE 87 OK 19 65 - 28 - 9866/7171=4, 9948/4.6=4...(12) Peak 7159 from nnoeabs.peaks (1.47, 8.12, 118.33 ppm; 5.77 A): 3 out of 3 assignments used, quality = 0.94: * HG3 LYS 86 + H PHE 87 OK 90 100 - 90 - 3.0/2635=35, 4.5/7154=34...(9) QB ALA 52 + H PHE 87 OK 22 92 - 24 - 2615/3.6=7, 2642/4.6=6...(4) HG3 LYS 36 + H PHE 87 OK 18 73 - 25 - 2642/4.6=7, 2615/3.6=6...(5) Peak 7160 from nnoeabs.peaks (1.66, 8.12, 118.33 ppm; 3.81 A): 4 out of 13 assignments used, quality = 0.94: QB ALA 88 + H PHE 87 OK 65 99 - 65 - 3.0/7170=27, 9851=20...(11) * HD2 LYS 86 + H PHE 87 OK 57 100 - 57 - 3.5/2635=18, 3.5/7157=14...(9) HD3 LYS 86 + H PHE 87 OK 57 100 - 57 - 3.5/2635=18, 3.5/7157=14...(9) HB2 LEU 98 + H PHE 87 OK 13 81 - 16 - ~11288=7, 9834/4.0=3...(6) HD3 LYS 24 - H PHE 87 lone 8 100 - 9 - 2631/4.6=2, 2644/4.6=2...(4) HD2 LYS 24 - H PHE 87 lone 8 99 - 8 - 2631/4.6=2, 2644/4.6=2...(4) HD3 LYS 26 - H PHE 87 lone 6 100 - 6 - HD3 LYS 31 - H PHE 87 lone 6 100 - 6 - 2644/4.6=1, 2631/4.6=1 HD2 LYS 31 - H PHE 87 lone 6 99 - 6 - 2644/4.6=1, 2631/4.6=1 HD2 LYS 26 - H PHE 87 lone 6 100 - 6 - HB2 LEU 123 - H PHE 87 lone 6 65 - 9 - 9755/7150=2, 3.9/7739=2 HD2 LYS 95 - H PHE 87 lone 4 92 - 4 - HD3 LYS 95 - H PHE 87 lone 3 100 - 3 - Peak 7161 from nnoeabs.peaks (1.66, 8.12, 118.33 ppm; 3.81 A): 4 out of 13 assignments used, quality = 0.94: QB ALA 88 + H PHE 87 OK 65 99 - 65 - 3.0/7170=27, 9851=20...(11) HD2 LYS 86 + H PHE 87 OK 57 100 - 57 - 3.5/2635=18, 3.5/7157=14...(9) * HD3 LYS 86 + H PHE 87 OK 57 100 - 57 - 3.5/2635=18, 3.5/7157=14...(9) HB2 LEU 98 + H PHE 87 OK 13 81 - 16 - ~11288=7, 9834/4.0=3...(6) HD3 LYS 24 - H PHE 87 lone 8 100 - 9 - 2631/4.6=2, 2644/4.6=2...(4) HD2 LYS 24 - H PHE 87 lone 8 99 - 8 - 2631/4.6=2, 2644/4.6=2...(4) HD3 LYS 26 - H PHE 87 lone 6 100 - 6 - HD3 LYS 31 - H PHE 87 lone 6 100 - 6 - 2644/4.6=1, 2631/4.6=1 HD2 LYS 31 - H PHE 87 lone 6 99 - 6 - 2644/4.6=1, 2631/4.6=1 HD2 LYS 26 - H PHE 87 lone 6 100 - 6 - HB2 LEU 123 - H PHE 87 lone 6 65 - 9 - 9755/7150=2, 3.9/7739=2 HD2 LYS 95 - H PHE 87 lone 4 92 - 4 - HD3 LYS 95 - H PHE 87 lone 3 100 - 3 - Peak 7164 from nnoeabs.peaks (4.26, 8.12, 118.33 ppm; 3.35 A): 1 out of 5 assignments used, quality = 1.00: * HA PHE 87 + H PHE 87 OK 100 100 - 100 - 2.9=100 HA LYS 19 - H PHE 87 lone 8 99 - 8 - 3.0/7154=2, 5522/4.2=1 HA LYS 26 - H PHE 87 lone 4 96 - 4 - HA LYS 36 - H PHE 87 lone 1 57 - 2 - 4.1/7159=1 HB THR 115 - H PHE 87 lone 1 65 - 1 - Peak 7165 from nnoeabs.peaks (3.23, 8.12, 118.33 ppm; 3.01 A): 3 out of 5 assignments used, quality = 0.90: * HB2 PHE 87 + H PHE 87 OK 68 100 - 68 - 4.0=44, 2.5/7167=15...(8) HB3 PHE 87 + H PHE 87 OK 65 96 - 68 - 4.0=44, 2.5/7167=15...(8) HD3 ARG 135 + H PHE 87 OK 14 96 - 15 - 4352/4.2=3, 2717/2.9=3...(8) HB3 HIS 4 - H PHE 87 lone 1 99 - 1 - HB2 HIS 5 - H PHE 87 lone 1 99 - 1 - Peak 7166 from nnoeabs.peaks (3.23, 8.12, 118.33 ppm; 3.01 A): 3 out of 5 assignments used, quality = 0.91: * HB3 PHE 87 + H PHE 87 OK 68 100 - 68 - 4.0=44, 2.5/7167=15...(8) HB2 PHE 87 + H PHE 87 OK 65 96 - 68 - 4.0=44, 2.5/7167=15...(8) HD3 ARG 135 + H PHE 87 OK 16 100 - 16 - 4352/4.2=4, 2717/2.9=3...(8) HB3 HIS 4 - H PHE 87 lone 1 99 - 1 - HB2 HIS 5 - H PHE 87 lone 1 99 - 1 - Peak 7167 from nnoeabs.peaks (7.32, 8.12, 118.33 ppm; 3.99 A): 1 out of 2 assignments used, quality = 0.94: * QD PHE 87 + H PHE 87 OK 94 100 - 94 - 4.2=84, 2.5/7165=19...(8) H ARG 135 - H PHE 87 OK 23 92 - 25 - 2718/2.9=6, 7181/4.3=5...(6) Peak 7168 from nnoeabs.peaks (7.27, 8.12, 118.33 ppm; 4.19 A): 2 out of 3 assignments used, quality = 0.95: H ASN 85 + H PHE 87 OK 78 99 - 78 - 3.6/7151=29, 3.9/7154=23...(11) * QE PHE 87 + H PHE 87 OK 76 100 - 76 - 2.2/7167=30, 6.3=30...(10) HD2 HIS 10 - H PHE 87 lone 4 81 - 5 - Peak 7170 from nnoeabs.peaks (7.86, 8.12, 118.33 ppm; 3.50 A): 1 out of 3 assignments used, quality = 0.83: * H ALA 88 + H PHE 87 OK 83 100 - 83 - 4.3=55, 3.0/9851=12...(13) H GLN 68 - H PHE 87 lone 8 87 - 9 - 6.7/11043=5, 2721/2.9=1 H GLU 102 - H PHE 87 lone 6 81 - 7 - 7148/4.3=1, 2721/2.9=1 Peak 7171 from nnoeabs.peaks (8.69, 8.12, 118.33 ppm; 5.27 A): 2 out of 3 assignments used, quality = 0.85: * H PHE 89 + H PHE 87 OK 82 100 - 82 - 4.1/7170=34, 2621/3.6=29...(9) H LYS 39 + H PHE 87 OK 16 100 - 16 - 7186/4.3=6, 2621/3.6=4...(4) H HIS 7 - H PHE 87 lone 2 73 - 3 - Peak 7172 from nnoeabs.peaks (7.86, 7.86, 121.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 88 + H ALA 88 OK 100 100 - 100 Peak 7173 from nnoeabs.peaks (4.25, 7.86, 121.70 ppm; 3.63 A): 1 out of 4 assignments used, quality = 0.52: * HA ARG 84 + H ALA 88 OK 52 100 - 53 - 7151/4.3=18, 4.9/7174=15...(7) HA GLN 27 - H ALA 88 lone 4 96 - 4 - 7151/4.3=1 HA SER 124 - H ALA 88 lone 2 81 - 3 - HA ALA 28 - H ALA 88 lone 1 57 - 1 - Peak 7174 from nnoeabs.peaks (4.81, 7.86, 121.70 ppm; 3.94 A): 1 out of 1 assignment used, quality = 0.77: * HA ASN 85 + H ALA 88 OK 77 100 - 77 - 2750/3.0=33, 7189/4.1=22...(8) Peak 7175 from nnoeabs.peaks (8.34, 7.86, 121.70 ppm; 4.79 A): 1 out of 3 assignments used, quality = 0.82: * H LYS 86 + H ALA 88 OK 82 100 - 82 - 3.6/7174=36, 4.3/7170=29...(13) H LYS 19 - H ALA 88 poor 7 65 - 11 - 7154/4.3=3, 3.0/7178=3...(4) H GLU 44 - H ALA 88 lone 5 81 - 6 - 7154/4.3=3 Peak 7177 from nnoeabs.peaks (8.12, 7.86, 121.70 ppm; 3.65 A): 3 out of 3 assignments used, quality = 0.91: * H PHE 87 + H ALA 88 OK 87 100 - 87 - 4.3=63, 9851/3.0=13...(13) H GLU 91 + H ALA 88 OK 23 65 - 36 - 4.0/7207=12, 2747/2.9=9...(6) H ASN 121 + H ALA 88 OK 11 92 - 12 - 9851/3.0=2, 7191/4.1=2...(5) Peak 7178 from nnoeabs.peaks (4.26, 7.86, 121.70 ppm; 4.13 A): 1 out of 5 assignments used, quality = 1.00: * HA PHE 87 + H ALA 88 OK 100 100 - 100 - 3.6=100 HA LYS 19 - H ALA 88 lone 9 99 - 9 - 7164/4.3=2, 3.0/7175=2 HA LYS 26 - H ALA 88 lone 6 96 - 6 - 7206/7207=1 HB THR 115 - H ALA 88 lone 3 65 - 5 - 2.1/9476=2 HA LYS 36 - H ALA 88 lone 1 57 - 2 - Peak 7179 from nnoeabs.peaks (3.23, 7.86, 121.70 ppm; 3.29 A): 3 out of 5 assignments used, quality = 0.93: * HB2 PHE 87 + H ALA 88 OK 72 100 - 72 - 4.5=38, 1.8/2742=16...(10) HB3 PHE 87 + H ALA 88 OK 68 96 - 72 - 4.5=38, 1.8/2733=16...(10) HD3 ARG 135 + H ALA 88 OK 22 96 - 23 - 10623/4.3=6, ~11290=4...(9) HB3 HIS 4 - H ALA 88 lone 1 99 - 1 - HB2 HIS 5 - H ALA 88 lone 1 99 - 1 - Peak 7180 from nnoeabs.peaks (3.23, 7.86, 121.70 ppm; 3.29 A): 3 out of 5 assignments used, quality = 0.93: * HB3 PHE 87 + H ALA 88 OK 72 100 - 72 - 4.5=38, 1.8/2733=16...(10) HB2 PHE 87 + H ALA 88 OK 69 96 - 72 - 4.5=38, 1.8/2742=16...(10) HD3 ARG 135 + H ALA 88 OK 25 100 - 25 - 10623/4.3=6, ~11290=4...(10) HB3 HIS 4 - H ALA 88 lone 1 99 - 1 - HB2 HIS 5 - H ALA 88 lone 1 99 - 1 - Peak 7181 from nnoeabs.peaks (7.32, 7.86, 121.70 ppm; 4.47 A): 2 out of 2 assignments used, quality = 0.76: * QD PHE 87 + H ALA 88 OK 69 100 - 69 - 4.2/7170=26, 2.5/2742=22...(7) H ARG 135 + H ALA 88 OK 23 92 - 25 - 2718/3.6=7, 7167/4.3=5...(7) Peak 7182 from nnoeabs.peaks (7.27, 7.86, 121.70 ppm; 4.74 A): 2 out of 3 assignments used, quality = 0.96: H ASN 85 + H ALA 88 OK 86 99 - 87 - 2.9/7174=40, 3.6/7173=33...(11) * QE PHE 87 + H ALA 88 OK 74 100 - 74 - 2.2/7181=30, 2719/3.6=18...(9) HD2 HIS 10 - H ALA 88 lone 4 81 - 5 - 2529/7173=1 Peak 7184 from nnoeabs.peaks (4.20, 7.86, 121.70 ppm; 3.42 A): 1 out of 3 assignments used, quality = 1.00: * HA ALA 88 + H ALA 88 OK 100 100 - 100 - 2.9=100 HB THR 25 - H ALA 88 lone 4 99 - 4 - 2752/3.0=1, 7194/4.1=1 HA GLU 128 - H ALA 88 lone 4 81 - 5 - 2752/3.0=1 Peak 7185 from nnoeabs.peaks (1.66, 7.86, 121.70 ppm; 2.86 A): 3 out of 15 assignments used, quality = 0.93: * QB ALA 88 + H ALA 88 OK 91 100 - 91 - 3.0=87, 3.7/7193=12...(7) HD2 LYS 86 + H ALA 88 OK 12 99 - 12 - 5.6/7175=5, 7161/4.3=2...(4) HD3 LYS 86 + H ALA 88 OK 12 99 - 12 - 5.6/7175=5, 7161/4.3=2...(4) HB2 LEU 69 - H ALA 88 lone 3 73 - 4 - 3.7/6917=2 HB2 LEU 98 - H ALA 88 lone 2 65 - 4 - HD2 LYS 26 - H ALA 88 lone 2 100 - 2 - HD3 LYS 26 - H ALA 88 lone 2 98 - 2 - HD3 LYS 24 - H ALA 88 lone 2 100 - 2 - HD2 LYS 24 - H ALA 88 lone 2 100 - 2 - HD3 LYS 31 - H ALA 88 lone 2 100 - 2 - HD2 LYS 31 - H ALA 88 lone 2 100 - 2 - HD2 LYS 95 - H ALA 88 lone 1 81 - 1 - HD3 LYS 95 - H ALA 88 lone 1 99 - 1 - HD2 LYS 36 - H ALA 88 lone 0 65 - 1 - HD3 LYS 36 - H ALA 88 lone 0 65 - 1 - Peak 7186 from nnoeabs.peaks (8.69, 7.86, 121.70 ppm; 3.60 A): 2 out of 3 assignments used, quality = 0.84: * H PHE 89 + H ALA 88 OK 81 100 - 81 - 4.1=66, 3.7/7185=19...(6) H LYS 39 + H ALA 88 OK 15 100 - 15 - 2754/3.0=4, 2746/2.9=3...(6) H HIS 7 - H ALA 88 lone 1 73 - 1 - Peak 7187 from nnoeabs.peaks (8.56, 7.86, 121.70 ppm; 5.52 A): 2 out of 2 assignments used, quality = 0.87: * H ARG 90 + H ALA 88 OK 84 100 - 84 - 7207=43, 4.1/7193=36...(7) H GLY 114 + H ALA 88 OK 21 99 - 21 - 7202/4.1=8, 2722/3.6=7...(4) Peak 7188 from nnoeabs.peaks (8.69, 8.69, 120.07 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H PHE 89 + H PHE 89 OK 100 100 - 100 Peak 7189 from nnoeabs.peaks (4.81, 8.69, 120.07 ppm; 3.93 A): 1 out of 1 assignment used, quality = 0.53: * HA ASN 85 + H PHE 89 OK 53 100 - 53 - 2750/3.7=28, 7174/4.1=22...(4) Peak 7190 from nnoeabs.peaks (3.89, 8.69, 120.07 ppm; 4.95 A): 2 out of 7 assignments used, quality = 0.93: * HA LYS 86 + H PHE 89 OK 90 100 - 90 - 2621=43, 4.9/7189=29...(12) HA2 GLY 114 + H PHE 89 OK 25 92 - 27 - 2.9/7202=9, 7205/4.1=6...(5) HA ALA 46 - H PHE 89 OK 20 73 - 28 - ~9188=21, 2765/3.5=3...(4) HA LEU 70 - H PHE 89 OK 17 87 - 20 - 3.8/9868=5, 9484/9869=4...(5) HB3 SER 50 - H PHE 89 lone 5 100 - 5 - HA2 GLY 2 - H PHE 89 lone 3 87 - 4 - HA3 GLY 2 - H PHE 89 lone 3 87 - 4 - Peak 7191 from nnoeabs.peaks (8.12, 8.69, 120.07 ppm; 4.65 A): 3 out of 3 assignments used, quality = 0.88: * H PHE 87 + H PHE 89 OK 76 100 - 76 - 7170/4.1=28, 7171=28...(9) H GLU 91 + H PHE 89 OK 42 65 - 64 - 4.0/7209=26, 4.0/9870=14...(9) H ASN 121 + H PHE 89 OK 16 92 - 17 - 9851/3.7=3, 7177/4.1=3...(7) Peak 7193 from nnoeabs.peaks (7.86, 8.69, 120.07 ppm; 3.62 A): 1 out of 3 assignments used, quality = 0.81: * H ALA 88 + H PHE 89 OK 81 100 - 81 - 4.1=67, 7185/3.7=19...(6) H GLN 68 - H PHE 89 lone 7 87 - 7 - 2743/3.6=2, 2751/3.7=1 H GLU 102 - H PHE 89 lone 6 81 - 8 - 2743/3.6=4, 2751/3.7=3 Peak 7194 from nnoeabs.peaks (4.20, 8.69, 120.07 ppm; 4.41 A): 1 out of 3 assignments used, quality = 1.00: * HA ALA 88 + H PHE 89 OK 100 100 - 100 - 3.6=100 HB THR 25 - H PHE 89 lone 8 99 - 8 - 7208/4.1=3, 2752/3.7=2 HA GLU 128 - H PHE 89 lone 6 81 - 8 - 7208/4.1=2, 2752/3.7=1...(5) Peak 7195 from nnoeabs.peaks (1.66, 8.69, 120.07 ppm; 3.50 A): 1 out of 15 assignments used, quality = 0.93: * QB ALA 88 + H PHE 89 OK 93 100 - 93 - 3.7=84, 3.0/7193=22...(9) HD3 LYS 86 - H PHE 89 OK 19 99 - 19 - 5.5/2621=8, 3.0/9866=5...(6) HD2 LYS 86 - H PHE 89 OK 19 99 - 19 - 5.5/2621=8, 3.0/9866=5...(6) HD2 LYS 26 - H PHE 89 lone 3 100 - 3 - HD3 LYS 26 - H PHE 89 lone 3 98 - 3 - HD3 LYS 24 - H PHE 89 lone 2 100 - 2 - HD2 LYS 31 - H PHE 89 lone 2 100 - 2 - HD2 LYS 24 - H PHE 89 lone 2 100 - 2 - HD3 LYS 31 - H PHE 89 lone 2 100 - 2 - HD3 LYS 95 - H PHE 89 lone 1 99 - 1 - HB2 LEU 69 - H PHE 89 lone 1 73 - 1 - HB2 LEU 98 - H PHE 89 lone 1 65 - 1 - HD2 LYS 95 - H PHE 89 lone 1 81 - 1 - HD2 LYS 36 - H PHE 89 lone 0 65 - 1 - HD3 LYS 36 - H PHE 89 lone 0 65 - 1 - Peak 7196 from nnoeabs.peaks (4.08, 8.69, 120.07 ppm; 3.87 A): 1 out of 2 assignments used, quality = 1.00: * HA PHE 89 + H PHE 89 OK 100 100 - 100 - 2.9=100 HA GLN 104 - H PHE 89 OK 27 98 - 27 - 2767/3.5=5, 2776/3.5=5...(8) Peak 7197 from nnoeabs.peaks (3.31, 8.69, 120.07 ppm; 3.42 A): 1 out of 2 assignments used, quality = 0.95: * HB2 PHE 89 + H PHE 89 OK 95 100 - 95 - 3.5=89, 1.8/7198=33...(6) HB3 CYS 73 - H PHE 89 OK 11 81 - 13 - 2757/2.9=3, 2777/3.5=3...(6) Peak 7198 from nnoeabs.peaks (3.33, 8.69, 120.07 ppm; 3.42 A): 1 out of 3 assignments used, quality = 0.95: * HB3 PHE 89 + H PHE 89 OK 95 100 - 95 - 3.5=89, 1.8/7197=32...(6) HB3 TYR 72 - H PHE 89 lone 6 81 - 7 - 2769/3.5=2, 2758/2.9=2...(4) HB2 HIS 67 - H PHE 89 lone 3 65 - 5 - 4.4/7193=1 Peak 7199 from nnoeabs.peaks (7.07, 8.69, 120.07 ppm; 4.49 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 89 + H PHE 89 OK 100 100 - 100 - 4.2=100 Peak 7202 from nnoeabs.peaks (8.56, 8.69, 120.07 ppm; 3.93 A): 1 out of 2 assignments used, quality = 0.97: * H ARG 90 + H PHE 89 OK 97 100 - 97 - 4.1=88, 7212/3.5=24...(10) H GLY 114 - H PHE 89 OK 25 99 - 25 - 2762/2.9=7, 2773/3.5=5...(8) Peak 7203 from nnoeabs.peaks (8.13, 8.69, 120.07 ppm; 4.51 A): 3 out of 3 assignments used, quality = 0.87: * H GLU 91 + H PHE 89 OK 73 100 - 73 - 4.0/7209=24, 7228=23...(9) H PHE 87 + H PHE 89 OK 43 65 - 65 - 4.3/7193=26, 3.6/2621=22...(10) H ASN 121 + H PHE 89 OK 17 96 - 18 - 7223/4.1=5, 2747/3.6=3...(7) Peak 7204 from nnoeabs.peaks (8.56, 8.56, 117.97 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ARG 90 + H ARG 90 OK 100 100 - 100 Peak 7205 from nnoeabs.peaks (3.89, 8.56, 117.97 ppm; 5.14 A): 3 out of 7 assignments used, quality = 0.90: * HA LYS 86 + H ARG 90 OK 82 100 - 82 - 2621/4.1=25, 2623/4.4=24...(12) HA2 GLY 114 + H ARG 90 OK 36 92 - 39 - ~2783=9, 3626=6...(10) HA LEU 70 + H ARG 90 OK 17 87 - 19 - 9484/9896=8, 7190/4.1=3...(6) HA ALA 46 - H ARG 90 poor 9 73 - 12 - 7190/4.1=4, 2765/4.4=3 HB3 SER 50 - H ARG 90 lone 5 100 - 5 - HA2 GLY 2 - H ARG 90 lone 3 87 - 4 - HA3 GLY 2 - H ARG 90 lone 3 87 - 4 - Peak 7206 from nnoeabs.peaks (4.26, 8.56, 117.97 ppm; 4.43 A): 3 out of 5 assignments used, quality = 0.82: * HA PHE 87 + H ARG 90 OK 75 100 - 75 - 2722=26, 3.6/7207=20...(10) HA LYS 26 + H ARG 90 OK 17 96 - 18 - 2804/3.8=4, 2794/3.8=4...(5) HA LYS 19 + H ARG 90 OK 14 99 - 14 - 7226/4.0=4, 2804/3.8=3 HB THR 115 - H ARG 90 poor 7 65 - 11 - 4.0/7602=4, 4.6/11514=2 HA LYS 36 - H ARG 90 lone 2 57 - 4 - 7226/4.0=1 Peak 7207 from nnoeabs.peaks (7.86, 8.56, 117.97 ppm; 5.12 A): 1 out of 3 assignments used, quality = 0.77: * H ALA 88 + H ARG 90 OK 77 100 - 77 - 7193/4.1=33, 7187=32...(7) H GLN 68 - H ARG 90 lone 7 87 - 7 - 7193/4.1=3, 4.4/7212=1 H GLU 102 - H ARG 90 lone 5 81 - 6 - 7193/4.1=3, 2743/7208=1 Peak 7208 from nnoeabs.peaks (4.20, 8.56, 117.97 ppm; 6.41 A): 3 out of 3 assignments used, quality = 0.93: * HA ALA 88 + H ARG 90 OK 89 100 - 89 - 2.9/7207=40, 3.6/7202=39...(7) HB THR 25 + H ARG 90 OK 22 99 - 22 - 10694/4.6=8, 7227/4.0=5...(5) HA GLU 128 + H ARG 90 OK 14 81 - 18 - 7227/4.0=8, 7246/7224=6 Peak 7209 from nnoeabs.peaks (8.69, 8.56, 117.97 ppm; 3.71 A): 2 out of 3 assignments used, quality = 0.94: * H PHE 89 + H ARG 90 OK 92 100 - 92 - 4.1=74, 3.5/7212=21...(11) H LYS 39 + H ARG 90 OK 26 100 - 26 - 4.7/9894=5, 2755/3.6=5...(10) H HIS 7 - H ARG 90 lone 2 73 - 2 - Peak 7210 from nnoeabs.peaks (4.08, 8.56, 117.97 ppm; 4.38 A): 1 out of 2 assignments used, quality = 1.00: * HA PHE 89 + H ARG 90 OK 100 100 - 100 - 3.6=100 HA GLN 104 - H ARG 90 OK 31 98 - 31 - 7196/4.1=6, 2767/4.4=6...(7) Peak 7211 from nnoeabs.peaks (3.31, 8.56, 117.97 ppm; 3.85 A): 2 out of 2 assignments used, quality = 0.90: * HB2 PHE 89 + H ARG 90 OK 89 100 - 89 - 4.4=65, 1.8/7212=34...(8) HB3 CYS 73 + H ARG 90 OK 14 81 - 18 - 9581/9896=4, 2757/3.6=4...(5) Peak 7212 from nnoeabs.peaks (3.33, 8.56, 117.97 ppm; 3.85 A): 1 out of 3 assignments used, quality = 0.89: * HB3 PHE 89 + H ARG 90 OK 89 100 - 89 - 4.4=65, 1.8/7211=32...(9) HB3 TYR 72 - H ARG 90 lone 7 81 - 8 - 2758/3.6=2, 2769/4.4=2...(4) HB2 HIS 67 - H ARG 90 lone 3 65 - 5 - 4.4/7207=1 Peak 7213 from nnoeabs.peaks (7.07, 8.56, 117.97 ppm; 4.36 A): 1 out of 1 assignment used, quality = 0.93: * QD PHE 89 + H ARG 90 OK 93 100 - 93 - 5.0=67, 2.7/7212=34...(12) Peak 7216 from nnoeabs.peaks (3.79, 8.56, 117.97 ppm; 3.80 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 90 + H ARG 90 OK 100 100 - 100 - 2.9=100 HB2 SER 9 - H ARG 90 poor 6 57 - 11 - 2806/3.8=2, 2796/3.8=2...(6) Peak 7217 from nnoeabs.peaks (1.91, 8.56, 117.97 ppm; 3.63 A): 2 out of 5 assignments used, quality = 0.98: * HB2 ARG 90 + H ARG 90 OK 96 100 - 96 - 3.8=86, 1.8/7218=20...(11) HB2 PRO 113 + H ARG 90 OK 55 98 - 57 - 3601=11, 1.8/3609=9...(14) HB3 LEU 49 - H ARG 90 OK 13 98 - 13 - 2785/2.9=3, 2807/3.8=2...(5) HB3 ARG 84 - H ARG 90 lone 3 65 - 5 - 2723/2722=1 HB3 LEU 123 - H ARG 90 lone 1 51 - 2 - Peak 7218 from nnoeabs.peaks (1.95, 8.56, 117.97 ppm; 3.44 A): 2 out of 5 assignments used, quality = 0.94: * HB3 ARG 90 + H ARG 90 OK 91 100 - 91 - 3.8=73, 1.8/7217=19...(12) HB3 LYS 86 + H ARG 90 OK 30 96 - 31 - 3.0/7205=7, ~9897=5...(11) HB2 PRO 58 - H ARG 90 OK 28 99 - 28 - 2786/2.9=5, 2798/3.8=5...(9) HB2 GLU 30 - H ARG 90 OK 22 92 - 24 - 1.8/7219=4, 2786/2.9=4...(7) HB3 PRO 81 - H ARG 90 lone 3 87 - 4 - Peak 7219 from nnoeabs.peaks (2.02, 8.56, 117.97 ppm; 3.39 A): 5 out of 7 assignments used, quality = 0.94: * HG2 ARG 90 + H ARG 90 OK 85 100 - 85 - 4.6=40, 1.8/7220=19...(15) HG2 PRO 58 + H ARG 90 OK 25 96 - 26 - 2809/3.8=6, 2.3/7218=5...(7) HB3 GLU 30 + H ARG 90 OK 22 98 - 23 - 769/3.8=4, 1.8/7218=4...(7) HB2 GLN 134 + H ARG 90 OK 21 99 - 21 - ~10604=7, ~10605=4...(7) HB VAL 63 + H ARG 90 OK 18 100 - 18 - 2.1/9408=8, ~9899=4...(6) HB2 GLU 44 - H ARG 90 lone 5 100 - 5 - 2787/2.9=1 HB3 MET 11 - H ARG 90 lone 5 100 - 5 - Peak 7220 from nnoeabs.peaks (1.73, 8.56, 117.97 ppm; 3.84 A): 1 out of 3 assignments used, quality = 0.93: * HG3 ARG 90 + H ARG 90 OK 93 100 - 93 - 4.6=58, 1.8/2814=23...(18) HB ILE 80 - H ARG 90 OK 27 92 - 30 - 3.2/11183=8, 2788/2.9=5...(9) HB2 LEU 43 - H ARG 90 OK 25 92 - 28 - 2788/2.9=6, 2810/3.8=5...(8) Peak 7221 from nnoeabs.peaks (3.17, 8.56, 117.97 ppm; 4.11 A): 2 out of 6 assignments used, quality = 0.99: * HD2 ARG 90 + H ARG 90 OK 91 100 - 91 - 5.9=34, 3.0/7220=21...(16) HD3 ARG 90 + H ARG 90 OK 90 99 - 91 - 5.9=34, 3.0/7220=21...(16) HD3 ARG 23 - H ARG 90 OK 19 98 - 19 - 2790/2.9=3, 2802/3.8=3...(8) HD2 ARG 23 - H ARG 90 OK 19 98 - 19 - 2790/2.9=3, 2802/3.8=3...(8) HB2 HIS 10 - H ARG 90 lone 8 98 - 8 - 7236/4.0=3, 2789/2.9=1 HB3 HIS 6 - H ARG 90 lone 2 87 - 3 - Peak 7222 from nnoeabs.peaks (3.17, 8.56, 117.97 ppm; 4.22 A): 2 out of 6 assignments used, quality = 0.99: * HD3 ARG 90 + H ARG 90 OK 92 100 - 92 - 5.9=37, 3.0/7220=22...(16) HD2 ARG 90 + H ARG 90 OK 91 99 - 92 - 5.9=37, 3.0/7220=22...(16) HD3 ARG 23 - H ARG 90 OK 20 100 - 20 - 2790/2.9=4, 2802/3.8=3...(8) HD2 ARG 23 - H ARG 90 OK 20 100 - 20 - 2790/2.9=4, 2802/3.8=3...(8) HB2 HIS 10 - H ARG 90 lone 8 92 - 8 - 7236/4.0=3, 2789/2.9=1 HB3 HIS 6 - H ARG 90 lone 3 96 - 3 - Peak 7223 from nnoeabs.peaks (8.13, 8.56, 117.97 ppm; 3.70 A): 2 out of 3 assignments used, quality = 0.96: * H GLU 91 + H ARG 90 OK 94 100 - 94 - 4.0=81, 4.1/7224=16...(13) H PHE 87 + H ARG 90 OK 33 65 - 51 - 2.9/7206=15, 4.3/7207=12...(10) H ASN 121 - H ARG 90 OK 23 96 - 24 - 10316/4.6=5, 2791/2.9=4...(9) Peak 7224 from nnoeabs.peaks (7.82, 8.56, 117.97 ppm; 4.76 A): 1 out of 1 assignment used, quality = 0.85: * H ALA 92 + H ARG 90 OK 85 100 - 85 - 7248=41, 7243/4.0=36...(8) Peak 7225 from nnoeabs.peaks (8.13, 8.13, 119.27 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 91 + H GLU 91 OK 100 100 - 100 Peak 7226 from nnoeabs.peaks (4.26, 8.13, 119.27 ppm; 4.95 A): 3 out of 5 assignments used, quality = 0.78: * HA PHE 87 + H GLU 91 OK 67 100 - 67 - 2722/4.0=22, 2804/4.4=20...(9) HA LYS 19 + H GLU 91 OK 19 99 - 19 - ~10699=6, 7206/4.0=4...(5) HA LYS 26 + H GLU 91 OK 18 96 - 19 - 2804/4.4=5, 7206/4.0=5...(4) HA LYS 36 - H GLU 91 lone 5 57 - 9 - 3.0/11920=4, ~2857=3 HB THR 115 - H GLU 91 lone 4 65 - 6 - 7206/4.0=2, 2794/4.4=2 Peak 7227 from nnoeabs.peaks (4.20, 8.13, 119.27 ppm; 4.29 A): 3 out of 3 assignments used, quality = 0.87: * HA ALA 88 + H GLU 91 OK 82 100 - 82 - 2747=29, 2749/4.0=19...(11) HA GLU 128 + H GLU 91 OK 20 81 - 24 - 7246/4.1=7, 2860/4.0=5...(6) HB THR 25 + H GLU 91 OK 12 99 - 12 - 7208/4.0=2, 2860/4.0=2...(5) Peak 7228 from nnoeabs.peaks (8.69, 8.13, 119.27 ppm; 5.40 A): 2 out of 3 assignments used, quality = 0.87: * H PHE 89 + H GLU 91 OK 84 100 - 84 - 7202/4.0=32, 3.6/7227=29...(10) H LYS 39 + H GLU 91 OK 18 100 - 18 - 7209/4.0=9, 2755/7229=3...(5) H HIS 7 - H GLU 91 lone 2 73 - 3 - Peak 7229 from nnoeabs.peaks (4.08, 8.13, 119.27 ppm; 4.99 A): 2 out of 2 assignments used, quality = 0.81: * HA PHE 89 + H GLU 91 OK 75 100 - 75 - 3.6/7230=30, 7247/4.1=29...(8) HA GLN 104 + H GLU 91 OK 26 98 - 26 - 7247/4.1=8, 7210/4.0=8...(8) Peak 7230 from nnoeabs.peaks (8.56, 8.13, 119.27 ppm; 3.77 A): 1 out of 2 assignments used, quality = 0.96: * H ARG 90 + H GLU 91 OK 96 100 - 96 - 4.0=85, 7224/4.1=16...(13) H GLY 114 - H GLU 91 OK 32 99 - 32 - 2783/3.6=8, 2795/4.4=7...(9) Peak 7231 from nnoeabs.peaks (3.79, 8.13, 119.27 ppm; 4.47 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 90 + H GLU 91 OK 100 100 - 100 - 3.6=100 HB2 SER 9 - H GLU 91 poor 7 57 - 11 - 2796/4.4=2, 2806/4.4=2...(4) Peak 7232 from nnoeabs.peaks (1.91, 8.13, 119.27 ppm; 3.85 A): 2 out of 5 assignments used, quality = 0.92: * HB2 ARG 90 + H GLU 91 OK 89 100 - 89 - 4.4=68, 1.8/7233=25...(9) HB2 PRO 113 + H GLU 91 OK 29 98 - 29 - 2785/3.6=8, 7217/4.0=8...(6) HB3 LEU 49 - H GLU 91 lone 9 98 - 9 - 2785/3.6=3, 2807/4.4=2 HB3 ARG 84 - H GLU 91 lone 4 65 - 6 - 3.9/11197=2, 2723/7226=1 HB3 LEU 123 - H GLU 91 lone 1 51 - 2 - Peak 7233 from nnoeabs.peaks (1.95, 8.13, 119.27 ppm; 3.34 A): 4 out of 5 assignments used, quality = 0.85: * HB3 ARG 90 + H GLU 91 OK 74 100 - 74 - 4.4=44, 1.8/7232=19...(8) HB2 PRO 58 + H GLU 91 OK 20 99 - 20 - 2.3/7234=5, 2786/3.6=4...(6) HB3 LYS 86 + H GLU 91 OK 16 96 - 17 - 2786/3.6=3, 7218/4.0=3...(6) HB2 GLU 30 + H GLU 91 OK 15 92 - 16 - 1.8/7234=5, 2786/3.6=3...(5) HB3 PRO 81 - H GLU 91 lone 5 87 - 6 - 2.3/7239=2 Peak 7234 from nnoeabs.peaks (2.02, 8.13, 119.27 ppm; 3.10 A): 3 out of 7 assignments used, quality = 0.67: * HG2 ARG 90 + H GLU 91 OK 54 100 - 54 - 2.9/7233=13, 2.9/7232=13...(9) HG2 PRO 58 + H GLU 91 OK 17 96 - 18 - 2.3/7233=4, 2809/4.4=4...(5) HB3 GLU 30 + H GLU 91 OK 14 98 - 14 - 1.8/7233=4, 769/4.4=3...(5) HB2 GLN 134 - H GLU 91 lone 8 99 - 8 - 2787/3.6=3, 7219/4.0=2...(4) HB VAL 63 - H GLU 91 lone 5 100 - 5 - 7219/4.0=2, 2787/3.6=2 HB2 GLU 44 - H GLU 91 lone 4 100 - 4 - HB3 MET 11 - H GLU 91 lone 3 100 - 2 - Peak 7235 from nnoeabs.peaks (1.73, 8.13, 119.27 ppm; 4.68 A): 3 out of 3 assignments used, quality = 0.91: * HG3 ARG 90 + H GLU 91 OK 84 100 - 84 - 2.9/7232=27, 1.8/7234=26...(11) HB2 LEU 43 + H GLU 91 OK 25 92 - 27 - 2800/4.4=7, 2810/4.4=7...(5) HB ILE 80 + H GLU 91 OK 25 92 - 27 - 7220/4.0=6, 2788/3.6=6...(6) Peak 7236 from nnoeabs.peaks (3.17, 8.13, 119.27 ppm; 4.90 A): 2 out of 6 assignments used, quality = 0.97: * HD2 ARG 90 + H GLU 91 OK 83 100 - 83 - 3.8/7232=24, 3.0/7234=24...(8) HD3 ARG 90 + H GLU 91 OK 83 99 - 83 - 3.8/7232=24, 3.0/7234=24...(8) HB2 HIS 10 - H GLU 91 OK 38 98 - 38 - 1.8/11310=34, 2789/3.6=2 HD3 ARG 23 - H GLU 91 OK 16 98 - 17 - 2790/3.6=4, 2802/4.4=4...(5) HD2 ARG 23 - H GLU 91 OK 16 98 - 17 - 2790/3.6=4, 2802/4.4=4...(5) HB3 HIS 6 - H GLU 91 lone 3 87 - 3 - Peak 7237 from nnoeabs.peaks (3.17, 8.13, 119.27 ppm; 5.11 A): 2 out of 6 assignments used, quality = 0.98: * HD3 ARG 90 + H GLU 91 OK 85 100 - 85 - 3.8/7232=26, 3.0/7234=25...(8) HD2 ARG 90 + H GLU 91 OK 84 99 - 85 - 3.8/7232=26, 3.0/7234=25...(8) HB2 HIS 10 - H GLU 91 OK 38 92 - 42 - 1.8/11310=37, 2789/3.6=2...(5) HD3 ARG 23 - H GLU 91 OK 18 100 - 18 - 2790/3.6=4, 2802/4.4=4...(6) HD2 ARG 23 - H GLU 91 OK 18 100 - 18 - 2790/3.6=4, 2802/4.4=4...(6) HB3 HIS 6 - H GLU 91 lone 4 96 - 4 - Peak 7238 from nnoeabs.peaks (3.98, 8.13, 119.27 ppm; 3.56 A): 1 out of 5 assignments used, quality = 1.00: * HA GLU 91 + H GLU 91 OK 100 100 - 100 - 2.9=100 HB3 SER 94 - H GLU 91 OK 22 73 - 31 - ~2858=13, ~2938=5...(10) HB3 SER 51 - H GLU 91 OK 16 100 - 16 - 2862/4.0=3, 2870/4.0=3...(7) HB3 SER 106 - H GLU 91 lone 6 99 - 6 - 2862/4.0=1, 2870/4.0=1 HA THR 65 - H GLU 91 lone 1 57 - 1 - Peak 7239 from nnoeabs.peaks (1.99, 8.13, 119.27 ppm; 3.17 A): 2 out of 7 assignments used, quality = 0.85: * HB2 GLU 91 + H GLU 91 OK 82 100 - 82 - 4.0=51, 1.8/7240=23...(11) HB2 GLU 55 + H GLU 91 OK 17 96 - 19 - 2852/2.9=4, 2871/4.0=3...(7) HG2 PRO 81 - H GLU 91 lone 8 96 - 8 - 7252/4.1=2, 2852/2.9=1...(4) HB3 LEU 53 - H GLU 91 lone 6 100 - 6 - 2852/2.9=2, 2871/4.0=1 HB ILE 129 - H GLU 91 lone 5 73 - 7 - 7252/4.1=3, 2852/2.9=1 HB3 PRO 56 - H GLU 91 lone 1 87 - 1 - HB VAL 20 - H GLU 91 lone 1 81 - 1 - Peak 7240 from nnoeabs.peaks (2.03, 8.13, 119.27 ppm; 3.21 A): 3 out of 7 assignments used, quality = 0.87: * HB3 GLU 91 + H GLU 91 OK 83 100 - 83 - 4.0=53, 1.8/7239=24...(10) HG2 PRO 58 + H GLU 91 OK 14 87 - 17 - 2.3/7233=4, 1857/4.4=3...(6) HB3 GLU 55 + H GLU 91 OK 11 65 - 17 - 1.8/7239=5, 2853/2.9=3...(7) HG3 ARG 135 - H GLU 91 lone 9 100 - 9 - 2853/2.9=2, 2864/4.0=2...(5) HB3 GLU 40 - H GLU 91 lone 5 98 - 5 - 2853/2.9=1 HB2 GLU 44 - H GLU 91 lone 2 65 - 3 - QE MET 11 - H GLU 91 lone 1 73 - 1 - Peak 7241 from nnoeabs.peaks (2.23, 8.13, 119.27 ppm; 3.69 A): 4 out of 8 assignments used, quality = 0.93: * HG2 GLU 91 + H GLU 91 OK 88 100 - 88 - 4.7=47, 1.8/7242=26...(9) HB3 GLU 128 + H GLU 91 OK 19 99 - 19 - 3.0/7227=4, 2854/2.9=4...(6) HG2 GLN 68 + H GLU 91 OK 15 96 - 15 - 3.5/11044=3, 2854/2.9=3...(6) HB3 GLN 104 + H GLU 91 OK 11 92 - 12 - 3.0/7229=5, 2854/2.9=2...(4) HB3 LEU 96 - H GLU 91 poor 8 65 - 13 - ~11307=4, 7254/4.1=2...(5) HB2 GLN 68 - H GLU 91 poor 8 73 - 11 - 4.6/11044=3, 2854/2.9=1...(4) HB3 GLU 102 - H GLU 91 lone 8 99 - 8 - 7254/4.1=2, 2854/2.9=2 HB3 GLN 127 - H GLU 91 lone 7 100 - 6 - 2854/2.9=1, 7254/4.1=1 Peak 7242 from nnoeabs.peaks (2.11, 8.13, 119.27 ppm; 3.72 A): 2 out of 4 assignments used, quality = 0.92: * HG3 GLU 91 + H GLU 91 OK 89 100 - 89 - 4.7=48, 1.8/2876=26...(9) HB VAL 126 + H GLU 91 OK 30 96 - 32 - 2855/2.9=8, ~10394=8...(6) HB3 GLN 61 - H GLU 91 lone 5 73 - 6 - ~10985=2, 2855/2.9=1 HB VAL 112 - H GLU 91 lone 1 65 - 2 - Peak 7243 from nnoeabs.peaks (7.82, 8.13, 119.27 ppm; 3.53 A): 1 out of 1 assignment used, quality = 0.91: * H ALA 92 + H GLU 91 OK 91 100 - 91 - 4.1=64, 2867/4.0=18...(12) Peak 7245 from nnoeabs.peaks (7.82, 7.82, 123.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 92 + H ALA 92 OK 100 100 - 100 Peak 7246 from nnoeabs.peaks (4.20, 7.82, 123.43 ppm; 4.66 A): 2 out of 3 assignments used, quality = 0.80: * HA ALA 88 + H ALA 92 OK 70 100 - 70 - 4.9/7247=21, 7227/4.1=21...(7) HA GLU 128 + H ALA 92 OK 33 81 - 41 - ~10444=10, ~10439=9...(8) HB THR 25 - H ALA 92 lone 10 99 - 10 - 7227/4.1=3, 2860/4.6=2...(4) Peak 7247 from nnoeabs.peaks (4.08, 7.82, 123.43 ppm; 3.52 A): 2 out of 2 assignments used, quality = 0.71: * HA PHE 89 + H ALA 92 OK 65 100 - 65 - 2897/3.0=22, 2763=19...(9) HA GLN 104 + H ALA 92 OK 18 98 - 19 - 2897/3.0=7, 7229/4.1=3...(5) Peak 7248 from nnoeabs.peaks (8.56, 7.82, 123.43 ppm; 4.76 A): 2 out of 2 assignments used, quality = 0.90: * H ARG 90 + H ALA 92 OK 88 100 - 88 - 7224=50, 4.0/7243=36...(8) H GLY 114 + H ALA 92 OK 18 99 - 18 - 7230/4.1=8, 2783/7249=4...(4) Peak 7249 from nnoeabs.peaks (3.79, 7.82, 123.43 ppm; 5.61 A): 1 out of 2 assignments used, quality = 0.93: * HA ARG 90 + H ALA 92 OK 93 100 - 93 - 3.6/7243=46, 2.9/7224=42...(11) HB2 SER 9 - H ALA 92 poor 9 57 - 15 - 7262/4.0=4, 9953/9936=3...(6) Peak 7250 from nnoeabs.peaks (8.13, 7.82, 123.43 ppm; 3.33 A): 2 out of 3 assignments used, quality = 0.88: * H GLU 91 + H ALA 92 OK 85 100 - 85 - 4.1=54, 4.0/2867=16...(12) H ASN 121 + H ALA 92 OK 15 96 - 16 - 2850/3.6=3, 2869/4.6=3...(8) H PHE 87 - H ALA 92 poor 8 65 - 13 - 2850/3.6=2, 7223/7224=1...(4) Peak 7251 from nnoeabs.peaks (3.98, 7.82, 123.43 ppm; 3.80 A): 1 out of 5 assignments used, quality = 1.00: * HA GLU 91 + H ALA 92 OK 100 100 - 100 - 3.6=100 HB3 SER 94 - H ALA 92 OK 23 73 - 32 - 3.6/7277=19, 7264/4.0=4...(6) HB3 SER 51 - H ALA 92 OK 16 100 - 16 - 2862/4.6=3, 2870/4.6=3...(8) HB3 SER 106 - H ALA 92 lone 6 99 - 6 - 2862/4.6=1, 7238/4.1=1 HA THR 65 - H ALA 92 lone 1 57 - 1 - Peak 7252 from nnoeabs.peaks (1.99, 7.82, 123.43 ppm; 3.39 A): 4 out of 7 assignments used, quality = 0.90: * HB2 GLU 91 + H ALA 92 OK 77 100 - 78 - 4.6=40, 1.8/2875=26...(9) HB ILE 129 + H ALA 92 OK 31 73 - 43 - ~9952=8, ~9946=7...(9) HB2 GLU 55 + H ALA 92 OK 22 96 - 23 - ~9949=6, 2852/3.6=4...(8) HG2 PRO 81 + H ALA 92 OK 15 96 - 15 - ~11316=3, ~2896=2...(7) HB3 LEU 53 - H ALA 92 lone 6 100 - 6 - 2852/3.6=2, 2871/4.6=1 HB3 PRO 56 - H ALA 92 lone 1 87 - 1 - HB VAL 20 - H ALA 92 lone 1 81 - 1 - Peak 7253 from nnoeabs.peaks (2.03, 7.82, 123.43 ppm; 3.44 A): 3 out of 7 assignments used, quality = 0.84: * HB3 GLU 91 + H ALA 92 OK 79 100 - 79 - 4.6=41, 1.8/2867=27...(8) HB3 GLU 55 + H ALA 92 OK 12 65 - 19 - ~9949=6, 1.8/7252=5...(6) HG3 ARG 135 + H ALA 92 OK 11 100 - 11 - ~9951=4, 2853/3.6=2...(4) HG2 PRO 58 - H ALA 92 poor 10 87 - 11 - 10974/11314=3...(4) HB3 GLU 40 - H ALA 92 lone 6 98 - 6 - ~9949=2, 2853/3.6=1 HB2 GLU 44 - H ALA 92 lone 4 65 - 5 - QE MET 11 - H ALA 92 lone 1 73 - 1 - Peak 7254 from nnoeabs.peaks (2.23, 7.82, 123.43 ppm; 4.22 A): 2 out of 8 assignments used, quality = 0.96: * HG2 GLU 91 + H ALA 92 OK 91 100 - 91 - 2882=44, 3.0/2867=32...(10) HB3 GLU 128 + H ALA 92 OK 49 99 - 50 - ~10444=11, ~10446=10...(13) HB3 GLU 102 - H ALA 92 OK 29 99 - 29 - 3342/2.9=5, ~11319=4...(13) HB3 LEU 96 - H ALA 92 OK 25 65 - 38 - 3.2/9934=5, 3.0/7256=5...(17) HB3 GLN 104 - H ALA 92 OK 23 92 - 24 - 3.0/7247=8, ~2897=4...(7) HB3 GLN 127 - H ALA 92 OK 16 100 - 16 - ~11316=3, 11315/3.0=3...(5) HG2 GLN 68 - H ALA 92 OK 14 96 - 15 - 2854/3.6=3, 7241/4.1=2...(4) HB2 GLN 68 - H ALA 92 lone 7 73 - 9 - 2854/3.6=2, 2865/4.6=1...(4) Peak 7255 from nnoeabs.peaks (2.11, 7.82, 123.43 ppm; 4.12 A): 2 out of 4 assignments used, quality = 0.92: * HG3 GLU 91 + H ALA 92 OK 89 100 - 89 - 1.8/2882=34, 2889=33...(9) HB VAL 126 + H ALA 92 OK 32 96 - 34 - 2855/3.6=8, 7242/4.1=6...(7) HB3 GLN 61 - H ALA 92 lone 4 73 - 5 - 2855/3.6=1, 7242/4.1=1 HB VAL 112 - H ALA 92 lone 2 65 - 3 - Peak 7256 from nnoeabs.peaks (4.05, 7.82, 123.43 ppm; 3.33 A): 1 out of 6 assignments used, quality = 1.00: * HA ALA 92 + H ALA 92 OK 100 100 - 100 - 2.9=100 HA LEU 96 - H ALA 92 OK 19 87 - 22 - 7266/4.0=4, 2899/3.0=3...(10) HA GLU 102 - H ALA 92 OK 12 98 - 12 - 2899/3.0=3, 3.0/7254=2...(5) HD3 PRO 81 - H ALA 92 poor 6 57 - 11 - 2.3/7252=3, ~11316=2...(5) HA LEU 122 - H ALA 92 lone 5 99 - 5 - ~7728=1, ~3868=1 HA GLU 44 - H ALA 92 lone 5 100 - 5 - Peak 7257 from nnoeabs.peaks (1.43, 7.82, 123.43 ppm; 2.89 A): 1 out of 4 assignments used, quality = 0.96: * QB ALA 92 + H ALA 92 OK 96 100 - 96 - 3.0=94, 3.7/7265=13...(6) HG2 LYS 26 - H ALA 92 lone 9 98 - 9 - 2892/2.9=2, 7267/4.0=1, ~11317=1 HG2 LYS 86 - H ALA 92 lone 5 65 - 8 - ~9948=1, 2892/2.9=1 HG13 ILE 32 - H ALA 92 lone 3 65 - 5 - 9902/4.1=1 Peak 7258 from nnoeabs.peaks (8.43, 7.82, 123.43 ppm; 3.39 A): 2 out of 3 assignments used, quality = 0.88: * H VAL 93 + H ALA 92 OK 86 100 - 86 - 4.0=59, 3.7/7257=20...(11) H ALA 34 + H ALA 92 OK 11 98 - 11 - 2893/2.9=2, 2901/3.0=2...(5) H ASN 13 - H ALA 92 lone 4 99 - 4 - Peak 7259 from nnoeabs.peaks (7.99, 7.82, 123.43 ppm; 4.27 A): 3 out of 4 assignments used, quality = 0.93: * H SER 94 + H ALA 92 OK 90 100 - 90 - 7277=41, 3.6/7265=30...(13) H LYS 36 + H ALA 92 OK 16 96 - 17 - 7272/4.0=4, 2857/3.6=4...(5) H SER 51 + H ALA 92 OK 12 73 - 16 - 2857/3.6=4, 3.8/7251=3...(6) H SER 38 - H ALA 92 lone 4 57 - 8 - 1119/9026=3, 7272/4.0=2 Peak 7260 from nnoeabs.peaks (8.43, 8.43, 119.94 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 93 + H VAL 93 OK 100 100 - 100 Peak 7261 from nnoeabs.peaks (4.08, 8.43, 119.94 ppm; 5.47 A): 2 out of 2 assignments used, quality = 0.78: * HA PHE 89 + H VAL 93 OK 71 100 - 72 - 2897/3.7=35, 2763/4.0=34...(4) HA GLN 104 + H VAL 93 OK 24 98 - 24 - 2897/3.7=11, 7247/4.0=10...(4) Peak 7262 from nnoeabs.peaks (3.79, 8.43, 119.94 ppm; 4.66 A): 1 out of 2 assignments used, quality = 0.90: * HA ARG 90 + H VAL 93 OK 90 100 - 90 - 2792=37, 9900/3.9=30...(9) HB2 SER 9 - H VAL 93 poor 10 57 - 17 - 9953/3.9=4, 9962/3.9=4...(5) Peak 7263 from nnoeabs.peaks (8.13, 8.43, 119.94 ppm; 4.68 A): 2 out of 3 assignments used, quality = 0.77: * H GLU 91 + H VAL 93 OK 74 100 - 74 - 7243/4.0=34, 3.6/7262=26...(7) H ASN 121 + H VAL 93 OK 13 96 - 13 - 7250/4.0=5, 11311/3.6=4...(4) H PHE 87 - H VAL 93 poor 7 65 - 11 - 2791/7262=3, 7250/4.0=3...(4) Peak 7264 from nnoeabs.peaks (3.98, 8.43, 119.94 ppm; 5.08 A): 3 out of 5 assignments used, quality = 0.90: * HA GLU 91 + H VAL 93 OK 80 100 - 80 - 3.6/7265=40, 2.9/7263=30...(6) HB3 SER 94 + H VAL 93 OK 37 73 - 51 - 3.6/7279=30, 4.4/7273=23...(4) HB3 SER 51 + H VAL 93 OK 18 100 - 17 - 1622/3.6=6, 7251/4.0=4...(5) HB3 SER 106 - H VAL 93 lone 7 99 - 6 - 7276/3.6=2, 7251/4.0=2 HA THR 65 - H VAL 93 lone 1 57 - 2 - Peak 7265 from nnoeabs.peaks (7.82, 8.43, 119.94 ppm; 3.85 A): 1 out of 1 assignment used, quality = 0.97: * H ALA 92 + H VAL 93 OK 97 100 - 97 - 4.0=86, 7257/3.7=26...(12) Peak 7266 from nnoeabs.peaks (4.05, 8.43, 119.94 ppm; 4.64 A): 2 out of 6 assignments used, quality = 1.00: * HA ALA 92 + H VAL 93 OK 100 100 - 100 - 3.6=100 HA LEU 96 + H VAL 93 OK 55 87 - 64 - ~7311=16, 7278/3.6=11...(12) HA GLU 102 - H VAL 93 OK 16 98 - 17 - 2899/3.7=4, 7256/4.0=3...(6) HA LEU 122 - H VAL 93 lone 7 99 - 7 - 2899/3.7=1, 7256/4.0=1 HA GLU 44 - H VAL 93 lone 6 100 - 6 - 9954/3.9=1, 7256/4.0=1...(4) HD3 PRO 81 - H VAL 93 lone 3 57 - 5 - 2899/3.7=2, 7256/4.0=1 Peak 7267 from nnoeabs.peaks (1.43, 8.43, 119.94 ppm; 3.70 A): 1 out of 4 assignments used, quality = 0.99: * QB ALA 92 + H VAL 93 OK 99 100 - 99 - 3.7=99, 3.0/7265=27...(9) HG2 LYS 26 - H VAL 93 OK 11 98 - 11 - 2892/3.6=2, 7257/4.0=2...(4) HG2 LYS 86 - H VAL 93 poor 7 65 - 10 - 9826/3.9=4, 9974/3.9=2...(4) HG13 ILE 32 - H VAL 93 lone 6 65 - 9 - 3.2/10811=3, 2.9/10810=2 Peak 7268 from nnoeabs.peaks (3.25, 8.43, 119.94 ppm; 4.30 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 93 + H VAL 93 OK 100 100 - 100 - 2.9=100 HB3 HIS 10 - H VAL 93 OK 28 96 - 29 - 2919/3.9=5, 7280/3.6=5...(9) Peak 7269 from nnoeabs.peaks (1.83, 8.43, 119.94 ppm; 3.58 A): 1 out of 5 assignments used, quality = 0.91: * HB VAL 93 + H VAL 93 OK 91 100 - 91 - 4.0=72, 2.1/7270=37...(6) HB2 LEU 100 - H VAL 93 lone 7 87 - 9 - 2926/3.9=3, 2920/3.9=2...(4) HB3 LEU 123 - H VAL 93 lone 7 85 - 8 - 7281/3.6=3, 11342/7273=1...(4) HB3 LYS 26 - H VAL 93 lone 5 65 - 7 - 3.0/7267=2 HB3 ARG 23 - H VAL 93 lone 4 92 - 4 - Peak 7270 from nnoeabs.peaks (0.29, 8.43, 119.94 ppm; 3.32 A): 1 out of 1 assignment used, quality = 0.89: * QG2 VAL 93 + H VAL 93 OK 89 100 - 89 - 3.9=62, 2.1/7269=23...(11) Peak 7271 from nnoeabs.peaks (0.75, 8.43, 119.94 ppm; 3.70 A): 3 out of 5 assignments used, quality = 0.99: * QG1 VAL 93 + H VAL 93 OK 95 100 - 95 - 3.9=83, 2.1/7270=39...(7) HG12 ILE 129 + H VAL 93 OK 59 100 - 60 - ~10461=14, 2.1/9965=14...(10) QD2 LEU 96 + H VAL 93 OK 50 100 - 51 - 11691/2.9=17, 7283/3.6=7...(12) QD2 LEU 43 - H VAL 93 OK 14 92 - 15 - 7283/3.6=3, 2906/2.9=3...(6) QD2 LEU 103 - H VAL 93 lone 1 65 - 2 - Peak 7272 from nnoeabs.peaks (7.99, 8.43, 119.94 ppm; 3.76 A): 1 out of 4 assignments used, quality = 1.00: * H SER 94 + H VAL 93 OK 100 100 - 100 - 3.6=100 H LYS 36 - H VAL 93 OK 21 96 - 22 - 2929/3.9=3, 2923/3.9=3...(7) H SER 51 - H VAL 93 OK 10 73 - 14 - 3.8/7264=2, 7259/4.0=2...(7) H SER 38 - H VAL 93 poor 8 57 - 14 - 4.5/9964=8 Peak 7273 from nnoeabs.peaks (7.71, 8.43, 119.94 ppm; 5.51 A): 1 out of 2 assignments used, quality = 0.93: * H LYS 95 + H VAL 93 OK 93 100 - 93 - 7287/3.6=41, 2894/3.6=37...(10) H LEU 53 - H VAL 93 lone 6 65 - 9 - 7287/3.6=5, 2894/3.6=2 Peak 7274 from nnoeabs.peaks (7.99, 7.99, 115.96 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H SER 94 + H SER 94 OK 100 100 - 100 Peak 7275 from nnoeabs.peaks (3.79, 7.99, 115.96 ppm; 4.17 A): 1 out of 2 assignments used, quality = 0.64: * HA ARG 90 + H SER 94 OK 64 100 - 64 - 9900/4.3=22, 7262/3.6=21...(6) HB2 SER 9 - H SER 94 poor 7 57 - 11 - 9953/4.3=3, 9962/4.3=3...(4) Peak 7276 from nnoeabs.peaks (3.98, 7.99, 115.96 ppm; 2.81 A): 3 out of 5 assignments used, quality = 0.75: HB3 SER 94 + H SER 94 OK 47 73 - 64 - 3.6=46, 1.8/7285=23...(4) * HA GLU 91 + H SER 94 OK 45 100 - 45 - 2857=12, 2858/3.6=10...(9) HB3 SER 51 + H SER 94 OK 14 100 - 14 - 7290/3.4=3, 1622=2...(6) HB3 SER 106 - H SER 94 lone 4 99 - 4 - HA THR 65 - H SER 94 lone 1 57 - 1 - Peak 7277 from nnoeabs.peaks (7.82, 7.99, 115.96 ppm; 4.57 A): 1 out of 1 assignment used, quality = 0.92: * H ALA 92 + H SER 94 OK 92 100 - 92 - 7259=37, 7265/3.6=34...(13) Peak 7278 from nnoeabs.peaks (4.05, 7.99, 115.96 ppm; 3.77 A): 2 out of 6 assignments used, quality = 0.75: * HA ALA 92 + H SER 94 OK 60 100 - 61 - 2.9/7277=22, 3.6/7279=19...(7) HA LEU 96 + H SER 94 OK 37 87 - 43 - 2.9/7288=17, 7291/3.4=9...(9) HA GLU 102 - H SER 94 lone 8 98 - 9 - 7291/3.4=2, 7266/3.6=2 HA LEU 122 - H SER 94 lone 4 99 - 4 - 7291/3.4=1 HA GLU 44 - H SER 94 lone 3 100 - 3 - HD3 PRO 81 - H SER 94 lone 2 57 - 3 - Peak 7279 from nnoeabs.peaks (8.43, 7.99, 115.96 ppm; 3.47 A): 1 out of 3 assignments used, quality = 0.96: * H VAL 93 + H SER 94 OK 96 100 - 96 - 3.6=87, 3.9/7282=19...(11) H ALA 34 - H SER 94 OK 32 98 - 32 - 2918/4.3=4, 2924/4.3=4...(11) H ASN 13 - H SER 94 lone 6 99 - 6 - 2918/4.3=1, 2902/3.6=1 Peak 7280 from nnoeabs.peaks (3.25, 7.99, 115.96 ppm; 4.69 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 93 + H SER 94 OK 100 100 - 100 - 3.6=100 HB3 HIS 10 - H SER 94 OK 27 96 - 28 - 7268/3.6=7, 2919/4.3=6...(7) Peak 7281 from nnoeabs.peaks (1.83, 7.99, 115.96 ppm; 3.53 A): 2 out of 5 assignments used, quality = 0.85: * HB VAL 93 + H SER 94 OK 82 100 - 82 - 4.7=44, 2.1/7282=29...(9) HB3 LEU 123 + H SER 94 OK 14 85 - 16 - 11342/3.4=5, ~11335=4...(6) HB2 LEU 100 - H SER 94 lone 7 87 - 8 - 2926/4.3=2, 2920/4.3=2...(4) HB3 ARG 23 - H SER 94 lone 4 92 - 4 - HB3 LYS 26 - H SER 94 lone 3 65 - 5 - Peak 7282 from nnoeabs.peaks (0.29, 7.99, 115.96 ppm; 3.87 A): 1 out of 1 assignment used, quality = 0.93: * QG2 VAL 93 + H SER 94 OK 93 100 - 93 - 4.3=70, 2.1/7281=29...(11) Peak 7283 from nnoeabs.peaks (0.75, 7.99, 115.96 ppm; 3.54 A): 2 out of 5 assignments used, quality = 0.93: * QG1 VAL 93 + H SER 94 OK 86 100 - 86 - 4.3=54, 2.1/7282=30...(11) QD2 LEU 96 + H SER 94 OK 48 100 - 49 - 11691/3.6=14, 5.1/7288=9...(11) HG12 ILE 129 - H SER 94 OK 24 100 - 24 - 7271/3.6=6, 2906/3.6=6...(6) QD2 LEU 43 - H SER 94 OK 23 92 - 25 - 2.1/9225=16, 2906/3.6=2...(6) QD2 LEU 103 - H SER 94 lone 1 65 - 2 - Peak 7284 from nnoeabs.peaks (4.23, 7.99, 115.96 ppm; 3.17 A): 1 out of 7 assignments used, quality = 1.00: * HA SER 94 + H SER 94 OK 100 100 - 100 - 2.9=100 HA ALA 34 - H SER 94 OK 15 73 - 21 - 3.0/7279=5, 3.6/6385=4...(8) HA ALA 28 - H SER 94 lone 5 92 - 5 - 9963/4.3=2 HA ALA 29 - H SER 94 lone 4 96 - 4 - HA SER 124 - H SER 94 lone 3 73 - 4 - HB3 SER 38 - H SER 94 lone 2 57 - 4 - HA GLU 30 - H SER 94 lone 2 81 - 2 - Peak 7285 from nnoeabs.peaks (3.90, 7.99, 115.96 ppm; 3.18 A): 1 out of 9 assignments used, quality = 0.82: * HB2 SER 94 + H SER 94 OK 82 100 - 82 - 3.6=67, 1.8/2945=27...(7) HB2 SER 33 - H SER 94 lone 4 65 - 6 - 4.6/7279=3 HB2 SER 60 - H SER 94 lone 2 87 - 3 - HB3 SER 60 - H SER 94 lone 2 87 - 3 - HA ALA 46 - H SER 94 lone 2 81 - 2 - HA3 GLY 75 - H SER 94 lone 2 100 - 2 - HA ALA 41 - H SER 94 lone 1 81 - 2 - HA2 GLY 2 - H SER 94 lone 1 65 - 1 - HA3 GLY 2 - H SER 94 lone 1 65 - 1 - Peak 7286 from nnoeabs.peaks (3.97, 7.99, 115.96 ppm; 2.81 A): 2 out of 7 assignments used, quality = 0.73: * HB3 SER 94 + H SER 94 OK 63 100 - 63 - 3.6=46, 1.8/7285=23...(4) HA GLU 91 + H SER 94 OK 26 73 - 36 - 3.6/7277=10, 4.8/7275=7...(9) HA GLN 127 - H SER 94 lone 8 98 - 8 - 2933/2.9=2...(3) HB3 SER 51 - H SER 94 poor 7 65 - 11 - ~9219=2, 1.8/1616=2...(5) HB2 SER 106 - H SER 94 lone 3 87 - 4 - HB3 SER 106 - H SER 94 lone 3 87 - 3 - HA THR 65 - H SER 94 lone 1 99 - 1 - Peak 7287 from nnoeabs.peaks (7.71, 7.99, 115.96 ppm; 3.35 A): 1 out of 2 assignments used, quality = 0.98: * H LYS 95 + H SER 94 OK 98 100 - 98 - 3.4=95, 4.4/7285=15...(12) H LEU 53 - H SER 94 OK 12 65 - 19 - 3.7/9224=7, 2934/2.9=2...(8) Peak 7288 from nnoeabs.peaks (8.27, 7.99, 115.96 ppm; 4.22 A): 2 out of 3 assignments used, quality = 0.81: * H LEU 96 + H SER 94 OK 74 100 - 74 - 3.1/7287=33, 7311/3.6=23...(10) H ASP 131 + H SER 94 OK 25 96 - 26 - 10510/9225=7, 7307/3.4=6...(6) H GLU 40 - H SER 94 lone 8 87 - 9 - 7307/3.4=3, 2908/3.6=2 Peak 7289 from nnoeabs.peaks (7.71, 7.71, 121.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 95 + H LYS 95 OK 100 100 - 100 Peak 7290 from nnoeabs.peaks (3.98, 7.71, 121.43 ppm; 3.36 A): 3 out of 5 assignments used, quality = 0.74: HB3 SER 94 + H LYS 95 OK 48 73 - 66 - 4.4=45, 3.6/7287=19...(6) * HA GLU 91 + H LYS 95 OK 38 100 - 38 - 2857/3.4=14, 2858/4.4=12...(6) HB3 SER 51 + H LYS 95 OK 18 100 - 18 - 1.8/9219=7, 7276/3.4=3...(6) HB3 SER 106 - H LYS 95 lone 6 99 - 6 - 7276/3.4=1 HA THR 65 - H LYS 95 lone 1 57 - 1 - Peak 7291 from nnoeabs.peaks (4.05, 7.71, 121.43 ppm; 3.61 A): 3 out of 6 assignments used, quality = 0.85: * HA ALA 92 + H LYS 95 OK 68 100 - 68 - 2894=23, 7278/3.4=12...(12) HA LEU 96 + H LYS 95 OK 48 87 - 56 - 3.6/7335=19, 4.0/9980=12...(16) HA GLU 102 + H LYS 95 OK 10 98 - 10 - 7310/3.1=3, 7278/3.4=2...(4) HA LEU 122 - H LYS 95 lone 6 99 - 6 - 7310/3.1=1 HD3 PRO 81 - H LYS 95 lone 4 57 - 8 - 7324/3.1=2, 3.0/7300=1 HA GLU 44 - H LYS 95 lone 3 100 - 3 - 7310/3.1=1 Peak 7292 from nnoeabs.peaks (8.43, 7.71, 121.43 ppm; 5.19 A): 2 out of 3 assignments used, quality = 0.95: * H VAL 93 + H LYS 95 OK 92 100 - 92 - 7273=39, 3.6/7287=39...(10) H ALA 34 + H LYS 95 OK 34 98 - 35 - 7279/3.4=11, ~10878=6...(11) H ASN 13 - H LYS 95 lone 6 99 - 5 - 7279/3.4=2 Peak 7293 from nnoeabs.peaks (3.25, 7.71, 121.43 ppm; 5.54 A): 1 out of 2 assignments used, quality = 0.99: * HA VAL 93 + H LYS 95 OK 99 100 - 99 - 3.6/7287=41, 7311/3.1=38...(22) HB3 HIS 10 - H LYS 95 OK 21 96 - 21 - 7280/3.4=9, 7311/3.1=7...(5) Peak 7294 from nnoeabs.peaks (7.99, 7.71, 121.43 ppm; 3.52 A): 1 out of 4 assignments used, quality = 1.00: * H SER 94 + H LYS 95 OK 100 100 - 100 - 3.4=100 H SER 51 - H LYS 95 OK 18 73 - 25 - 3.8/9219=5, 3.8/7290=4...(11) H LYS 36 - H LYS 95 OK 11 96 - 11 - 2930/3.6=2, ~973=1...(4) H SER 38 - H LYS 95 poor 7 57 - 11 - 3.6/7298=3, 3.9/7298=2 Peak 7295 from nnoeabs.peaks (4.23, 7.71, 121.43 ppm; 4.49 A): 1 out of 7 assignments used, quality = 1.00: * HA SER 94 + H LYS 95 OK 100 100 - 100 - 3.6=100 HA ALA 34 - H LYS 95 OK 19 73 - 25 - 3.0/7292=7, ~10878=5...(7) HA ALA 29 - H LYS 95 OK 10 96 - 11 - 7313/3.1=2, 7334/7335=1 HB3 SER 38 - H LYS 95 poor 10 57 - 17 - 1.8/7298=4, 10921/3.1=3...(4) HA ALA 28 - H LYS 95 lone 9 92 - 10 - 7313/3.1=2, 7284/3.4=1 HA SER 124 - H LYS 95 poor 9 73 - 12 - 10370/11342=4, 11588/9980=2 HA GLU 30 - H LYS 95 lone 5 81 - 7 - 10796/4.6=1 Peak 7296 from nnoeabs.peaks (3.90, 7.71, 121.43 ppm; 4.41 A): 1 out of 9 assignments used, quality = 1.00: * HB2 SER 94 + H LYS 95 OK 100 100 - 100 - 4.4=100 HA ALA 46 - H LYS 95 poor 9 81 - 11 - ~9190=6, 9174/9979=1 HB2 SER 33 - H LYS 95 lone 6 65 - 9 - 4.6/7292=5, 7285/3.4=1 HA ALA 41 - H LYS 95 lone 5 81 - 6 - ~6468=1 HB3 SER 60 - H LYS 95 lone 5 87 - 5 - HB2 SER 60 - H LYS 95 lone 5 87 - 5 - HA3 GLY 75 - H LYS 95 lone 4 100 - 4 - HA2 GLY 2 - H LYS 95 lone 1 65 - 1 - HA3 GLY 2 - H LYS 95 lone 1 65 - 1 - Peak 7297 from nnoeabs.peaks (3.97, 7.71, 121.43 ppm; 3.36 A): 3 out of 7 assignments used, quality = 0.76: * HB3 SER 94 + H LYS 95 OK 66 100 - 66 - 4.4=45, 2945/3.4=20...(5) HA GLU 91 + H LYS 95 OK 21 73 - 29 - 4.9/2894=10, 2857/3.4=8...(6) HB3 SER 51 + H LYS 95 OK 11 65 - 17 - 1.8/9219=7, 3.8/7294=3...(6) HA GLN 127 - H LYS 95 lone 8 98 - 8 - 7286/3.4=2, 2933/3.6=2 HB3 SER 106 - H LYS 95 lone 4 87 - 5 - HB2 SER 106 - H LYS 95 lone 4 87 - 4 - HA THR 65 - H LYS 95 lone 2 99 - 2 - Peak 7298 from nnoeabs.peaks (4.02, 7.71, 121.43 ppm; 3.38 A): 1 out of 8 assignments used, quality = 1.00: * HA LYS 95 + H LYS 95 OK 100 100 - 100 - 2.9=100 HA ILE 37 - H LYS 95 OK 19 100 - 19 - ~11917=5, 7315/3.1=2...(7) HB2 SER 38 - H LYS 95 OK 13 92 - 14 - ~10921=3, 7315/3.1=2, 1.8/7295=1 HA LEU 103 - H LYS 95 lone 9 98 - 9 - 7315/3.1=2 HA ARG 135 - H LYS 95 lone 7 99 - 7 - HA LEU 119 - H LYS 95 lone 3 87 - 3 - HA SER 60 - H LYS 95 lone 2 57 - 3 - HB3 SER 124 - H LYS 95 lone 2 57 - 3 - Peak 7299 from nnoeabs.peaks (1.94, 7.71, 121.43 ppm; 3.22 A): 2 out of 5 assignments used, quality = 0.96: * HB2 LYS 95 + H LYS 95 OK 81 100 - 81 - 4.0=54, 3.0/2988=8...(20) HB3 LYS 95 + H LYS 95 OK 79 98 - 81 - 4.0=54, 3.0/2988=8...(20) HG LEU 53 - H LYS 95 OK 33 100 - 33 - ~11725=8, ~11724=8...(10) HB3 PRO 81 - H LYS 95 lone 5 73 - 6 - 7317/3.1=1 HG2 PRO 113 - H LYS 95 lone 3 92 - 3 - Peak 7300 from nnoeabs.peaks (1.94, 7.71, 121.43 ppm; 3.22 A): 2 out of 6 assignments used, quality = 0.96: * HB3 LYS 95 + H LYS 95 OK 81 100 - 81 - 4.0=54, 3.0/2988=8...(20) HB2 LYS 95 + H LYS 95 OK 79 98 - 81 - 4.0=54, 3.0/2988=8...(20) HG LEU 53 - H LYS 95 OK 31 96 - 33 - ~11725=8, ~11724=8...(10) HB3 PRO 81 - H LYS 95 lone 6 92 - 7 - 7317/3.1=1 HG2 PRO 113 - H LYS 95 lone 2 73 - 3 - HB2 PRO 58 - H LYS 95 lone 1 65 - 1 - Peak 7301 from nnoeabs.peaks (1.39, 7.71, 121.43 ppm; 3.72 A): 3 out of 15 assignments used, quality = 1.00: * HG2 LYS 95 + H LYS 95 OK 94 100 - 94 - 4.6=53, 1.8/2999=15...(30) HG3 LYS 95 + H LYS 95 OK 93 99 - 94 - 4.6=53, 1.8/2988=15...(30) HB2 LEU 96 + H LYS 95 OK 53 81 - 65 - 4.4/7335=16, 3.2/9980=15...(16) HG2 LYS 36 - H LYS 95 OK 19 81 - 23 - ~9224=7, 1006/3.4=4...(8) HG3 LYS 31 - H LYS 95 OK 11 98 - 11 - 7318/3.1=1, 2.9/7304=1...(4) HB3 LEU 100 - H LYS 95 poor 7 73 - 10 - ~10043=4, 7319/3.1=1, ~7281=1 HG3 LYS 26 - H LYS 95 lone 6 87 - 7 - QB ALA 28 - H LYS 95 lone 5 96 - 5 - 2.1/7295=1 QB ALA 29 - H LYS 95 lone 5 81 - 6 - 2.1/7295=2, ~7313=1 HG2 LYS 24 - H LYS 95 lone 4 73 - 5 - HB2 LEU 42 - H LYS 95 lone 2 65 - 4 - QB ALA 109 - H LYS 95 lone 2 100 - 2 - QB ALA 108 - H LYS 95 lone 2 98 - 2 - QB ALA 15 - H LYS 95 lone 2 92 - 2 - QB ALA 110 - H LYS 95 lone 1 92 - 1 - Peak 7302 from nnoeabs.peaks (1.39, 7.71, 121.43 ppm; 3.72 A): 3 out of 15 assignments used, quality = 1.00: * HG3 LYS 95 + H LYS 95 OK 94 100 - 94 - 4.6=53, 1.8/2988=15...(31) HG2 LYS 95 + H LYS 95 OK 93 99 - 94 - 4.6=53, 1.8/2999=15...(30) HB2 LEU 96 + H LYS 95 OK 60 92 - 66 - 4.4/7335=16, 3.2/9980=15...(16) HG2 LYS 36 - H LYS 95 OK 22 92 - 24 - ~9224=7, 1006/3.4=5...(8) HG3 LYS 31 - H LYS 95 poor 10 92 - 11 - 2.9/7304=1, 2.9/7304=1...(4) HB3 LEU 100 - H LYS 95 poor 9 87 - 11 - ~10043=4, 7325/3.1=1...(4) HG3 LYS 26 - H LYS 95 lone 7 96 - 7 - QB ALA 29 - H LYS 95 lone 6 92 - 6 - 2.1/7295=2, ~7313=1 QB ALA 28 - H LYS 95 lone 5 99 - 5 - 2.1/7295=1 HG2 LYS 24 - H LYS 95 lone 5 87 - 6 - HB2 LEU 42 - H LYS 95 lone 3 81 - 4 - 7325/3.1=1 QB ALA 15 - H LYS 95 lone 2 98 - 2 - QB ALA 108 - H LYS 95 lone 2 100 - 2 - QB ALA 109 - H LYS 95 lone 2 98 - 2 - QB ALA 110 - H LYS 95 lone 2 98 - 2 - Peak 7303 from nnoeabs.peaks (1.65, 7.71, 121.43 ppm; 3.53 A): 3 out of 16 assignments used, quality = 0.99: * HD2 LYS 95 + H LYS 95 OK 88 100 - 88 - 5.5=27, 1.8/3021=15...(34) HD3 LYS 95 + H LYS 95 OK 81 92 - 88 - 5.5=27, 1.8/3010=15...(34) HB2 LEU 98 + H LYS 95 OK 48 99 - 49 - 3158/2.9=10, ~2963=10...(13) HB2 LEU 123 - H LYS 95 OK 24 96 - 25 - 1.8/11342=18, 2962/2.9=2...(5) HD3 LYS 31 - H LYS 95 poor 10 87 - 11 - ~7327=1, 2957/2.9=1 HD2 LYS 31 - H LYS 95 poor 9 81 - 12 - ~7327=1, 2957/2.9=1 HD3 LYS 26 - H LYS 95 lone 6 96 - 6 - HD2 LYS 26 - H LYS 95 lone 6 87 - 7 - HD3 LYS 24 - H LYS 95 lone 5 87 - 5 - HD2 LYS 24 - H LYS 95 lone 4 81 - 5 - HD3 LYS 86 - H LYS 95 lone 3 92 - 3 - HD2 LYS 86 - H LYS 95 lone 3 92 - 3 - HG LEU 62 - H LYS 95 lone 2 87 - 2 - HD2 LYS 19 - H LYS 95 lone 2 92 - 2 - HD3 LYS 19 - H LYS 95 lone 2 92 - 2 - QB ALA 88 - H LYS 95 lone 1 81 - 1 - Peak 7304 from nnoeabs.peaks (1.66, 7.71, 121.43 ppm; 3.53 A): 2 out of 13 assignments used, quality = 0.98: * HD3 LYS 95 + H LYS 95 OK 89 100 - 89 - 5.5=27, 1.8/3010=15...(35) HD2 LYS 95 + H LYS 95 OK 81 92 - 88 - 5.5=27, 1.8/3021=15...(34) HB2 LEU 98 - H LYS 95 OK 37 81 - 46 - ~2963=10, ~3167=8...(13) HB2 LEU 123 - H LYS 95 OK 16 65 - 24 - 1.8/11342=18, ~7281=2...(4) HD2 LYS 31 - H LYS 95 OK 12 99 - 12 - ~7327=1, 7321/3.1=1, 2957/2.9=1 HD3 LYS 31 - H LYS 95 OK 12 100 - 12 - ~7327=1, 7321/3.1=1, 2957/2.9=1 HD2 LYS 26 - H LYS 95 lone 7 100 - 7 - HD3 LYS 26 - H LYS 95 lone 7 100 - 7 - HD2 LYS 24 - H LYS 95 lone 6 99 - 6 - HD3 LYS 24 - H LYS 95 lone 6 100 - 6 - HD2 LYS 86 - H LYS 95 lone 3 100 - 3 - HD3 LYS 86 - H LYS 95 lone 3 100 - 3 - QB ALA 88 - H LYS 95 lone 1 99 - 1 - Peak 7305 from nnoeabs.peaks (2.88, 7.71, 121.43 ppm; 5.73 A): 2 out of 3 assignments used, quality = 1.00: HE3 LYS 95 + H LYS 95 OK 99 100 - 99 - 6.7=62, 3.0/3021=26...(27) * HE2 LYS 95 + H LYS 95 OK 99 100 - 99 - 6.7=62, 3.0/3021=26...(27) HB3 ASN 59 - H LYS 95 lone 9 92 - 9 - 9363/9980=3, 2958/2.9=1 Peak 7306 from nnoeabs.peaks (2.88, 7.71, 121.43 ppm; 5.73 A): 2 out of 3 assignments used, quality = 1.00: * HE3 LYS 95 + H LYS 95 OK 99 100 - 99 - 6.7=62, 3.0/3021=26...(27) HE2 LYS 95 + H LYS 95 OK 99 100 - 99 - 6.7=62, 3.0/3021=26...(27) HB3 ASN 59 - H LYS 95 lone 9 92 - 9 - 9363/9980=3, 2958/2.9=1 Peak 7307 from nnoeabs.peaks (8.27, 7.71, 121.43 ppm; 3.61 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 96 + H LYS 95 OK 100 100 - 100 - 3.1=100 H ASP 131 - H LYS 95 OK 27 96 - 28 - 7288/3.4=5, 2960/2.9=4...(14) H GLU 40 - H LYS 95 OK 12 87 - 13 - 2960/2.9=3, 7288/3.4=1 Peak 7308 from nnoeabs.peaks (8.50, 7.71, 121.43 ppm; 4.85 A): 1 out of 1 assignment used, quality = 0.92: * H GLU 97 + H LYS 95 OK 92 100 - 92 - 7335=47, 7330/3.1=44...(14) Peak 7309 from nnoeabs.peaks (8.27, 8.27, 124.81 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 96 + H LEU 96 OK 100 100 - 100 Peak 7310 from nnoeabs.peaks (4.05, 8.27, 124.81 ppm; 3.74 A): 2 out of 6 assignments used, quality = 0.94: HA LEU 96 + H LEU 96 OK 87 87 - 100 - 2.9=100 * HA ALA 92 + H LEU 96 OK 54 100 - 54 - 2894/3.1=19, 4.9/7311=13...(14) HA GLU 102 - H LEU 96 OK 21 98 - 22 - 3.0/7326=4, 7338/3.7=2...(10) HD3 PRO 81 - H LEU 96 OK 11 57 - 19 - ~2485=2, ~2493=2...(9) HA GLU 44 - H LEU 96 lone 8 100 - 8 - HA LEU 122 - H LEU 96 lone 8 99 - 8 - 7291/3.1=1 Peak 7311 from nnoeabs.peaks (3.25, 8.27, 124.81 ppm; 4.20 A): 2 out of 2 assignments used, quality = 0.88: * HA VAL 93 + H LEU 96 OK 85 100 - 85 - 3.6/7288=19, 3.2/9983=18...(17) HB3 HIS 10 + H LEU 96 OK 15 96 - 15 - 7293/3.1=3, 3074/3.8=3...(6) Peak 7312 from nnoeabs.peaks (7.99, 8.27, 124.81 ppm; 6.79 A): 1 out of 4 assignments used, quality = 0.95: * H SER 94 + H LEU 96 OK 95 100 - 95 - 7287/3.1=44, 3.6/7311=42...(10) H SER 51 - H LEU 96 OK 23 73 - 32 - ~6653=7, 7294/3.1=7...(9) H LYS 36 - H LEU 96 OK 22 96 - 23 - 7294/3.1=4...(9) H SER 38 - H LEU 96 OK 19 57 - 33 - 3.9/10921=14, 4.6/6445=5...(5) Peak 7313 from nnoeabs.peaks (4.23, 8.27, 124.81 ppm; 6.12 A): 1 out of 7 assignments used, quality = 0.93: * HA SER 94 + H LEU 96 OK 93 100 - 93 - 2935/3.7=42, 2.9/7288=34...(11) HA ALA 29 - H LEU 96 OK 22 96 - 23 - 7334/3.7=5, 7295/3.1=3...(6) HB3 SER 38 - H LEU 96 OK 18 57 - 30 - 10921=5, 1.8/7315=5...(8) HA ALA 34 - H LEU 96 OK 16 73 - 23 - ~7292=7, 7295/3.1=5...(6) HA ALA 28 - H LEU 96 OK 15 92 - 16 - 7334/3.7=5, 7295/3.1=3...(4) HA GLU 30 - H LEU 96 poor 9 81 - 10 - 7334/3.7=2, 7295/3.1=2 HA SER 124 - H LEU 96 poor 8 73 - 11 - 7295/3.1=3, 7334/3.7=2, ~7760=1 Peak 7314 from nnoeabs.peaks (7.71, 8.27, 124.81 ppm; 3.73 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 95 + H LEU 96 OK 100 100 - 100 - 3.1=100 H LEU 53 - H LEU 96 OK 13 65 - 19 - 2950/3.6=5, ~1636=2...(7) Peak 7315 from nnoeabs.peaks (4.02, 8.27, 124.81 ppm; 3.73 A): 1 out of 8 assignments used, quality = 1.00: * HA LYS 95 + H LEU 96 OK 100 100 - 100 - 3.6=100 HB2 SER 38 - H LEU 96 OK 16 92 - 17 - 1.8/10921=6, 7298/3.1=3...(4) HA ILE 37 - H LEU 96 OK 15 100 - 15 - 7298/3.1=4, 4.2/7329=3...(6) HA LEU 103 - H LEU 96 OK 11 98 - 11 - 7336/3.7=2, 7298/3.1=2...(4) HA ARG 135 - H LEU 96 lone 7 99 - 7 - 7298/3.1=1, 7336/3.7=1 HA LEU 119 - H LEU 96 lone 2 87 - 3 - HB3 SER 124 - H LEU 96 lone 2 57 - 3 - HA SER 60 - H LEU 96 lone 1 57 - 2 - Peak 7316 from nnoeabs.peaks (1.94, 8.27, 124.81 ppm; 3.82 A): 2 out of 5 assignments used, quality = 0.97: * HB2 LYS 95 + H LEU 96 OK 85 100 - 85 - 4.6=56, 7299/3.1=13...(20) HB3 LYS 95 + H LEU 96 OK 83 98 - 85 - 4.6=56, 7299/3.1=13...(20) HG LEU 53 - H LEU 96 OK 27 100 - 27 - 1662/3.1=6, 2952/3.6=5...(7) HB3 PRO 81 - H LEU 96 OK 11 73 - 15 - 3.0/7324=3, ~11899=2...(7) HG2 PRO 113 - H LEU 96 lone 2 92 - 2 - Peak 7317 from nnoeabs.peaks (1.94, 8.27, 124.81 ppm; 3.82 A): 2 out of 6 assignments used, quality = 0.97: * HB3 LYS 95 + H LEU 96 OK 85 100 - 85 - 4.6=56, 7300/3.1=13...(20) HB2 LYS 95 + H LEU 96 OK 83 98 - 85 - 4.6=56, 7300/3.1=13...(20) HG LEU 53 - H LEU 96 OK 25 96 - 26 - 1662/3.1=6, 2952/3.6=5...(7) HB3 PRO 81 - H LEU 96 OK 15 92 - 16 - 3.0/7324=3, 11898/2.9=3...(7) HG2 PRO 113 - H LEU 96 lone 2 73 - 2 - HB2 PRO 58 - H LEU 96 lone 1 65 - 1 - Peak 7318 from nnoeabs.peaks (1.39, 8.27, 124.81 ppm; 3.51 A): 3 out of 15 assignments used, quality = 0.98: HB2 LEU 96 + H LEU 96 OK 75 81 - 93 - 3.8=80, 4.4/7330=19...(14) * HG2 LYS 95 + H LEU 96 OK 74 100 - 75 - 3.0/7316=10, 2988/3.1=10...(30) HG3 LYS 95 + H LEU 96 OK 74 99 - 75 - 3.0/7316=10, 3.0/7317=10...(29) HG3 LYS 31 - H LEU 96 OK 13 98 - 14 - 3070/3.8=2, 3079/3.8=1...(7) HB3 LEU 100 - H LEU 96 OK 11 73 - 16 - 3.2/10043=6, 7339/3.7=2...(6) HB2 LEU 42 - H LEU 96 poor 7 65 - 10 - 3077/3.8=2, 7339/3.7=1...(5) HG2 LYS 36 - H LEU 96 lone 6 81 - 7 - 7302/3.1=2 HG3 LYS 26 - H LEU 96 lone 6 87 - 6 - QB ALA 28 - H LEU 96 lone 4 96 - 4 - QB ALA 29 - H LEU 96 lone 4 81 - 5 - 2.1/7313=1 HG2 LYS 24 - H LEU 96 lone 4 73 - 5 - QB ALA 109 - H LEU 96 lone 3 100 - 3 - QB ALA 15 - H LEU 96 lone 3 92 - 3 - QB ALA 110 - H LEU 96 lone 2 92 - 2 - QB ALA 108 - H LEU 96 lone 2 98 - 2 - Peak 7319 from nnoeabs.peaks (1.39, 8.27, 124.81 ppm; 3.51 A): 3 out of 15 assignments used, quality = 0.99: HB2 LEU 96 + H LEU 96 OK 86 92 - 93 - 3.8=80, 4.4/7330=19...(14) * HG3 LYS 95 + H LEU 96 OK 75 100 - 75 - 3.0/7316=10, 2999/3.1=10...(29) HG2 LYS 95 + H LEU 96 OK 74 99 - 75 - 3.0/7316=10, 3.0/7317=10...(29) HB3 LEU 100 - H LEU 96 OK 15 87 - 17 - 3.2/10043=6, 7339/3.7=3...(7) HG3 LYS 31 - H LEU 96 OK 11 92 - 11 - 2.9/7321=1, 2.9/7321=1...(4) HB2 LEU 42 - H LEU 96 poor 9 81 - 12 - 7339/3.7=2, 3077/3.8=2...(6) HG2 LYS 36 - H LEU 96 lone 7 92 - 8 - 7302/3.1=2, 1006/7288=1 HG3 LYS 26 - H LEU 96 lone 7 96 - 7 - HG2 LYS 24 - H LEU 96 lone 5 87 - 6 - QB ALA 29 - H LEU 96 lone 5 92 - 5 - 2.1/7313=1 QB ALA 28 - H LEU 96 lone 5 99 - 5 - QB ALA 15 - H LEU 96 lone 3 98 - 3 - QB ALA 110 - H LEU 96 lone 3 98 - 2 - QB ALA 109 - H LEU 96 lone 2 98 - 2 - QB ALA 108 - H LEU 96 lone 2 100 - 2 - Peak 7320 from nnoeabs.peaks (1.65, 8.27, 124.81 ppm; 4.65 A): 3 out of 16 assignments used, quality = 1.00: * HD2 LYS 95 + H LEU 96 OK 93 100 - 93 - 3020=20, 3010/3.1=19...(28) HD3 LYS 95 + H LEU 96 OK 85 92 - 93 - 3031=17, 1.8/3020=17...(29) HB2 LEU 98 + H LEU 96 OK 53 99 - 53 - 3.9/7331=26, 3158/3.6=15...(8) HB2 LEU 123 - H LEU 96 OK 28 96 - 29 - ~11342=20, 7303/3.1=3...(4) HD3 LYS 31 - H LEU 96 OK 18 87 - 20 - 2.9/7327=6, ~3058=3...(6) HD2 LYS 31 - H LEU 96 OK 16 81 - 20 - 2.9/7327=6, ~3058=3...(6) HD3 LYS 26 - H LEU 96 lone 10 96 - 10 - 2.9/7325=1 HD2 LYS 26 - H LEU 96 lone 9 87 - 10 - 2.9/7325=1 HD3 LYS 24 - H LEU 96 lone 8 87 - 9 - HD2 LYS 24 - H LEU 96 lone 7 81 - 9 - HD3 LYS 86 - H LEU 96 lone 3 92 - 3 - HD2 LYS 86 - H LEU 96 lone 3 92 - 3 - QB ALA 88 - H LEU 96 lone 3 81 - 4 - 10533/11651=1 HG LEU 62 - H LEU 96 lone 2 87 - 3 - HD2 LYS 19 - H LEU 96 lone 2 92 - 2 - HD3 LYS 19 - H LEU 96 lone 2 92 - 2 - Peak 7321 from nnoeabs.peaks (1.66, 8.27, 124.81 ppm; 4.65 A): 2 out of 13 assignments used, quality = 0.99: * HD3 LYS 95 + H LEU 96 OK 94 100 - 94 - 3031=20, 3021/3.1=19...(28) HD2 LYS 95 + H LEU 96 OK 85 92 - 92 - 3020=17, 1.8/3031=17...(28) HB2 LEU 98 - H LEU 96 OK 40 81 - 49 - 3.9/7331=26, 3158/3.6=10...(8) HD2 LYS 31 - H LEU 96 OK 22 99 - 23 - 2.9/7327=6, 11694/5.1=3...(7) HD3 LYS 31 - H LEU 96 OK 22 100 - 22 - 2.9/7327=6, 11694/5.1=3...(7) HB2 LEU 123 - H LEU 96 OK 18 65 - 27 - ~11342=20, 7303/3.1=3...(4) HD2 LYS 26 - H LEU 96 OK 11 100 - 11 - 11694/5.1=1, 2.9/7325=1 HD3 LYS 26 - H LEU 96 OK 11 100 - 11 - 2.9/7325=1, 11694/5.1=1 HD2 LYS 24 - H LEU 96 OK 10 99 - 10 - 11694/5.1=1 HD3 LYS 24 - H LEU 96 OK 10 100 - 10 - 11694/5.1=1 QB ALA 88 - H LEU 96 lone 4 99 - 4 - 10533/11651=1 HD2 LYS 86 - H LEU 96 lone 4 100 - 4 - HD3 LYS 86 - H LEU 96 lone 4 100 - 4 - Peak 7324 from nnoeabs.peaks (4.04, 8.27, 124.81 ppm; 3.73 A): 1 out of 6 assignments used, quality = 1.00: * HA LEU 96 + H LEU 96 OK 100 100 - 100 - 2.9=100 HA ALA 92 - H LEU 96 OK 42 87 - 49 - 2894/3.1=15, 4.9/7311=13...(13) HD3 PRO 81 - H LEU 96 OK 20 96 - 20 - ~2485=2, ~2493=2...(12) HA GLU 102 - H LEU 96 OK 14 65 - 22 - 3.0/7326=4, 7338/3.7=3...(11) HA GLU 44 - H LEU 96 lone 7 81 - 8 - 3067/3.8=1 HA LEU 122 - H LEU 96 lone 6 73 - 8 - Peak 7325 from nnoeabs.peaks (1.38, 8.27, 124.81 ppm; 3.51 A): 3 out of 14 assignments used, quality = 0.99: * HB2 LEU 96 + H LEU 96 OK 93 100 - 93 - 3.8=80, 4.4/7330=19...(15) HG3 LYS 95 + H LEU 96 OK 68 92 - 74 - 3.0/7316=10, 3.0/7317=10...(29) HG2 LYS 95 + H LEU 96 OK 59 81 - 74 - 3.0/7316=10, 3.0/7317=10...(29) HB3 LEU 100 - H LEU 96 OK 18 100 - 18 - 3.2/10043=6, 7339/3.7=3...(7) HB2 LEU 42 - H LEU 96 OK 13 99 - 13 - 7339/3.7=2, 3077/3.8=2...(7) HG2 LYS 36 - H LEU 96 lone 8 100 - 8 - 1006/7288=1, 7302/3.1=1 HG3 LYS 26 - H LEU 96 lone 7 100 - 7 - HG2 LYS 24 - H LEU 96 lone 6 100 - 6 - QB ALA 29 - H LEU 96 lone 6 100 - 5 - 2.1/7313=1 QB ALA 28 - H LEU 96 lone 5 98 - 5 - QB ALA 15 - H LEU 96 lone 3 99 - 3 - QB ALA 110 - H LEU 96 lone 3 99 - 3 - QB ALA 108 - H LEU 96 lone 2 96 - 2 - QB ALA 109 - H LEU 96 lone 1 73 - 2 - Peak 7326 from nnoeabs.peaks (2.23, 8.27, 124.81 ppm; 3.82 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LEU 96 + H LEU 96 OK 100 100 - 100 - 3.8=100 HB3 GLU 102 - H LEU 96 OK 21 81 - 26 - 3057/2.9=5, 7340/3.7=4...(8) HG2 GLN 68 - H LEU 96 OK 16 92 - 18 - 3057/2.9=4, 3069/3.8=3...(6) HG2 GLU 91 - H LEU 96 poor 9 65 - 13 - 3069/3.8=2, 9914/5.0=2...(6) HB3 GLN 127 - H LEU 96 lone 2 57 - 4 - Peak 7327 from nnoeabs.peaks (1.40, 8.27, 124.81 ppm; 3.51 A): 3 out of 4 assignments used, quality = 0.82: * HG LEU 96 + H LEU 96 OK 77 100 - 77 - 5.0=34, 2.1/7329=21...(15) HG3 LYS 31 + H LEU 96 OK 15 81 - 18 - 3070/3.8=3, 3079/3.8=3...(8) QB ALA 16 + H LEU 96 OK 11 81 - 13 - 7341/3.7=3, 3079/3.8=3...(6) QB ALA 109 - H LEU 96 lone 3 65 - 4 - Peak 7328 from nnoeabs.peaks (0.75, 8.27, 124.81 ppm; 3.46 A): 3 out of 5 assignments used, quality = 0.96: * QD2 LEU 96 + H LEU 96 OK 82 100 - 82 - 5.1=32, 2.1/7327=24...(15) QG1 VAL 93 + H LEU 96 OK 65 100 - 66 - 3.2/7311=17, 9973/3.8=11...(14) HG12 ILE 129 + H LEU 96 OK 41 100 - 41 - 2.1/9982=21, 3059/2.9=5...(10) QD2 LEU 43 - H LEU 96 OK 11 87 - 12 - 11090/10563=2...(5) QD2 LEU 103 - H LEU 96 lone 7 73 - 9 - 7342/3.7=2, 4.1/7315=1 Peak 7329 from nnoeabs.peaks (0.77, 8.27, 124.81 ppm; 3.56 A): 3 out of 3 assignments used, quality = 0.91: * QD1 LEU 96 + H LEU 96 OK 84 100 - 84 - 4.6=45, 2.1/7327=25...(13) QD1 ILE 32 + H LEU 96 OK 29 92 - 32 - 3060/2.9=6, 3072/3.8=5...(8) QD1 ILE 37 + H LEU 96 OK 15 81 - 18 - 3060/2.9=3, 3072/3.8=3...(7) Peak 7330 from nnoeabs.peaks (8.50, 8.27, 124.81 ppm; 3.33 A): 1 out of 1 assignment used, quality = 0.90: * H GLU 97 + H LEU 96 OK 90 100 - 90 - 3.7=71, 7335/3.1=17...(12) Peak 7331 from nnoeabs.peaks (7.74, 8.27, 124.81 ppm; 4.88 A): 1 out of 1 assignment used, quality = 0.86: * H LEU 98 + H LEU 96 OK 86 100 - 87 - 7354=40, 3.9/7330=39...(9) Peak 7332 from nnoeabs.peaks (8.50, 8.50, 119.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 97 + H GLU 97 OK 100 100 - 100 Peak 7333 from nnoeabs.peaks (3.25, 8.50, 119.00 ppm; 6.80 A): 1 out of 2 assignments used, quality = 0.94: * HA VAL 93 + H GLU 97 OK 94 100 - 94 - 7311/3.7=41, 4.9/2935=41...(11) HB3 HIS 10 - H GLU 97 OK 24 96 - 25 - 7311/3.7=7, 3074/4.4=7...(6) Peak 7334 from nnoeabs.peaks (4.23, 8.50, 119.00 ppm; 4.74 A): 1 out of 7 assignments used, quality = 0.93: * HA SER 94 + H GLU 97 OK 93 100 - 93 - 2935=49, 3.6/7335=32...(12) HA ALA 29 - H GLU 97 OK 22 96 - 23 - 3117/4.0=4, 3125/4.0=3...(7) HA ALA 28 - H GLU 97 OK 19 92 - 21 - 3125/4.0=4, 3117/4.0=4...(7) HA ALA 34 - H GLU 97 OK 15 73 - 21 - 3125/4.0=4, 11359/4.6=4...(7) HA GLU 30 - H GLU 97 lone 8 81 - 9 - 7352/3.9=1, 3125/4.0=1...(4) HB3 SER 38 - H GLU 97 poor 7 57 - 12 - 1.8/7336=3, 10921/3.7=3 HA SER 124 - H GLU 97 lone 6 73 - 8 - Peak 7335 from nnoeabs.peaks (7.71, 8.50, 119.00 ppm; 4.21 A): 1 out of 2 assignments used, quality = 0.84: * H LYS 95 + H GLU 97 OK 84 100 - 84 - 3.1/7330=37, 7308=33...(14) H LEU 53 - H GLU 97 lone 5 65 - 8 - 7314/3.7=3, 2950/11341=2 Peak 7336 from nnoeabs.peaks (4.02, 8.50, 119.00 ppm; 4.55 A): 5 out of 8 assignments used, quality = 0.94: * HA LYS 95 + H GLU 97 OK 89 100 - 89 - 3.6/7330=38, 2.9/7335=34...(12) HA LEU 103 + H GLU 97 OK 19 98 - 19 - 7353/3.9=5, 4.1/7342=4...(6) HA ILE 37 + H GLU 97 OK 15 100 - 15 - 7315/3.7=3, 4.2/7343=3...(5) HB2 SER 38 + H GLU 97 OK 12 92 - 13 - 7315/3.7=3, 7371/7373=2...(5) HA ARG 135 + H GLU 97 OK 11 99 - 11 - 7353/3.9=4, 7371/7373=2...(4) HA LEU 119 - H GLU 97 lone 5 87 - 5 - 10725/11367=1 HB3 SER 124 - H GLU 97 lone 3 57 - 4 - 3.0/7334=1 HA SER 60 - H GLU 97 lone 1 57 - 2 - Peak 7337 from nnoeabs.peaks (8.27, 8.50, 119.00 ppm; 3.75 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 96 + H GLU 97 OK 100 100 - 100 - 3.7=100 H ASP 131 - H GLU 97 OK 23 96 - 24 - 3054/3.6=5, 3075/4.4=4...(9) H GLU 40 - H GLU 97 OK 18 87 - 21 - 3054/3.6=4, 3066/4.4=3...(7) Peak 7338 from nnoeabs.peaks (4.04, 8.50, 119.00 ppm; 4.55 A): 1 out of 6 assignments used, quality = 1.00: * HA LEU 96 + H GLU 97 OK 100 100 - 100 - 3.6=100 HA ALA 92 - H GLU 97 OK 32 87 - 37 - 4.9/7333=10, 2894/7335=8...(9) HA GLU 102 - H GLU 97 OK 31 65 - 47 - 2.9/11356=28, 3.0/7340=7...(11) HD3 PRO 81 - H GLU 97 OK 13 96 - 13 - 7324/3.7=4, 3067/4.4=3...(4) HA LEU 122 - H GLU 97 poor 9 73 - 12 - 7372/7373=2, 7355/3.9=2...(4) HA GLU 44 - H GLU 97 lone 8 81 - 10 - 3067/4.4=2, 7372/7373=1...(4) Peak 7339 from nnoeabs.peaks (1.38, 8.50, 119.00 ppm; 3.90 A): 2 out of 14 assignments used, quality = 0.97: * HB2 LEU 96 + H GLU 97 OK 95 100 - 95 - 4.4=71, 1.8/7340=30...(13) HB3 LEU 100 + H GLU 97 OK 50 100 - 50 - ~10001=12, ~3115=11...(11) HG3 LYS 95 - H GLU 97 OK 43 92 - 47 - 4.6/7335=17...(9) HG2 LYS 95 - H GLU 97 OK 37 81 - 46 - 4.6/7335=17...(10) HB2 LEU 42 - H GLU 97 OK 35 99 - 36 - 3.1/9106=16, 3.2/9994=8...(8) QB ALA 29 - H GLU 97 lone 8 100 - 8 - 2.1/7334=3 QB ALA 28 - H GLU 97 lone 8 98 - 8 - 2.1/7334=3, 11361/4.6=1 HG2 LYS 36 - H GLU 97 lone 8 100 - 8 - HG3 LYS 26 - H GLU 97 lone 7 100 - 7 - HG2 LYS 24 - H GLU 97 lone 7 100 - 7 - QB ALA 15 - H GLU 97 lone 7 99 - 7 - 4.7/7341=3 QB ALA 110 - H GLU 97 lone 4 99 - 4 - QB ALA 108 - H GLU 97 lone 3 96 - 3 - QB ALA 109 - H GLU 97 lone 2 73 - 2 - Peak 7340 from nnoeabs.peaks (2.23, 8.50, 119.00 ppm; 3.34 A): 3 out of 5 assignments used, quality = 0.86: * HB3 LEU 96 + H GLU 97 OK 79 100 - 79 - 4.4=44, 3.8/7330=21...(11) HB3 GLU 102 + H GLU 97 OK 19 81 - 24 - 3.8/11356=12, 3057/3.6=3...(7) HG2 GLN 68 + H GLU 97 OK 14 92 - 15 - 3.0/7346=3, 3057/3.6=3...(6) HG2 GLU 91 - H GLU 97 lone 4 65 - 7 - 3069/4.4=1, 3057/3.6=1 HB3 GLN 127 - H GLU 97 lone 1 57 - 2 - Peak 7341 from nnoeabs.peaks (1.40, 8.50, 119.00 ppm; 4.06 A): 3 out of 4 assignments used, quality = 0.93: * HG LEU 96 + H GLU 97 OK 89 100 - 89 - 2.1/3106=31, 2.1/3098=31...(14) QB ALA 16 + H GLU 97 OK 20 81 - 25 - 11363/4.0=5, 10010/4.6=4...(9) HG3 LYS 31 + H GLU 97 OK 17 81 - 21 - 7327/3.7=4, 3079/4.4=3...(9) QB ALA 109 - H GLU 97 lone 5 65 - 7 - 3058/3.6=1 Peak 7342 from nnoeabs.peaks (0.75, 8.50, 119.00 ppm; 3.70 A): 2 out of 5 assignments used, quality = 0.93: * QD2 LEU 96 + H GLU 97 OK 85 100 - 85 - 3098=28, 2.1/3106=26...(12) QG1 VAL 93 + H GLU 97 OK 55 100 - 55 - 9973/4.4=11...(12) HG12 ILE 129 - H GLU 97 OK 27 100 - 27 - 2.1/9994=6, 7328/3.7=5...(10) QD2 LEU 103 - H GLU 97 OK 23 73 - 32 - 11852/2.8=11...(6) QD2 LEU 43 - H GLU 97 poor 10 87 - 11 - 4.4/7350=3, 7328/3.7=1...(4) Peak 7343 from nnoeabs.peaks (0.77, 8.50, 119.00 ppm; 3.76 A): 3 out of 3 assignments used, quality = 0.91: * QD1 LEU 96 + H GLU 97 OK 86 100 - 86 - 3106=30, 2.1/3098=26...(12) QD1 ILE 32 + H GLU 97 OK 28 92 - 30 - 3060/3.6=6, 3.0/11367=6...(9) QD1 ILE 37 + H GLU 97 OK 13 81 - 16 - 7329/3.7=3, 3072/4.4=3...(6) Peak 7344 from nnoeabs.peaks (3.76, 8.50, 119.00 ppm; 3.82 A): 3 out of 3 assignments used, quality = 1.00: * HA GLU 97 + H GLU 97 OK 100 100 - 100 - 2.8=100 HA VAL 133 + H GLU 97 OK 53 92 - 57 - 3.2/11367=18, ~10000=11...(13) HB2 SER 99 + H GLU 97 OK 51 98 - 52 - 3.7/7373=24, 3208/3.6=13...(9) Peak 7345 from nnoeabs.peaks (2.14, 8.50, 119.00 ppm; 3.60 A): 1 out of 2 assignments used, quality = 0.94: * HB2 GLU 97 + H GLU 97 OK 94 100 - 94 - 4.0=75, 1.8/7346=26...(10) HB2 PRO 56 - H GLU 97 OK 26 99 - 26 - 3109/2.8=8, 3128/4.0=5...(5) Peak 7346 from nnoeabs.peaks (2.21, 8.50, 119.00 ppm; 3.34 A): 3 out of 5 assignments used, quality = 0.91: * HB3 GLU 97 + H GLU 97 OK 87 100 - 87 - 4.0=60, 1.8/3118=28...(8) HB2 GLN 101 + H GLU 97 OK 16 57 - 27 - 4.7/11356=10, 2.9/7348=5...(8) HB2 GLN 68 + H GLU 97 OK 14 98 - 14 - 3.0/7340=3, 3110/2.8=3...(8) HB3 GLU 128 - H GLU 97 poor 9 65 - 13 - 3.0/7348=3, 3110/2.8=2...(6) HB3 GLN 104 - H GLU 97 lone 6 87 - 7 - 3110/2.8=2, 7359/3.9=1 Peak 7347 from nnoeabs.peaks (2.27, 8.50, 119.00 ppm; 3.76 A): 2 out of 5 assignments used, quality = 0.93: * HG2 GLU 97 + H GLU 97 OK 90 100 - 90 - 4.6=55, 1.8/3140=35...(10) HB3 PRO 113 + H GLU 97 OK 24 98 - 24 - 3111/2.8=7, 3122/4.0=6...(5) HB VAL 105 - H GLU 97 poor 9 87 - 10 - 3465/3.6=2, 10082/4.4=2...(6) HB VAL 132 - H GLU 97 lone 5 65 - 8 - 11662/11367=2...(3) HG2 GLN 61 - H GLU 97 lone 4 57 - 7 - 1.8/7348=2, 3111/2.8=1 Peak 7348 from nnoeabs.peaks (2.42, 8.50, 119.00 ppm; 3.89 A): 2 out of 5 assignments used, quality = 0.95: * HG3 GLU 97 + H GLU 97 OK 92 100 - 92 - 4.6=61, 1.8/3133=36...(13) HG2 GLN 101 + H GLU 97 OK 34 98 - 35 - 3112/2.8=7, 7361/3.9=7...(8) HG3 GLU 128 - H GLU 97 OK 21 100 - 21 - 3112/2.8=4, 3123/4.0=4...(8) HG3 GLN 61 - H GLU 97 lone 7 81 - 9 - 3112/2.8=2, 3123/4.0=1...(5) HB3 PRO 58 - H GLU 97 lone 2 65 - 2 - Peak 7349 from nnoeabs.peaks (7.74, 8.50, 119.00 ppm; 3.97 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 98 + H GLU 97 OK 100 100 - 100 - 3.9=100 Peak 7350 from nnoeabs.peaks (8.29, 8.50, 119.00 ppm; 3.81 A): 4 out of 5 assignments used, quality = 0.89: * H SER 99 + H GLU 97 OK 82 100 - 82 - 7373=48, 7375/3.9=23...(13) H LEU 43 + H GLU 97 OK 23 96 - 24 - 6504/9106=6, 3062/3.6=4...(7) H VAL 126 + H GLU 97 OK 12 100 - 12 - 7368/3.9=3, 3062/3.6=3 H LEU 69 + H GLU 97 OK 10 81 - 13 - 7368/3.9=3, 4.4/7346=2...(5) H ALA 110 - H GLU 97 lone 2 65 - 4 - Peak 7351 from nnoeabs.peaks (7.74, 7.74, 119.22 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 98 + H LEU 98 OK 100 100 - 100 Peak 7352 from nnoeabs.peaks (4.23, 7.74, 119.22 ppm; 4.99 A): 4 out of 7 assignments used, quality = 0.86: * HA SER 94 + H LEU 98 OK 78 100 - 78 - 2935/3.9=30, 4.9/2961=27...(7) HA ALA 29 + H LEU 98 OK 18 96 - 18 - 7334/3.9=4, 3117/4.7=3...(7) HA ALA 28 + H LEU 98 OK 13 92 - 14 - 7334/3.9=3, 3117/4.7=3...(5) HA ALA 34 + H LEU 98 OK 11 73 - 15 - 3125/4.7=4, 3117/4.7=4...(5) HA GLU 30 - H LEU 98 lone 6 81 - 7 - 7334/3.9=1, 3117/4.7=1 HB3 SER 38 - H LEU 98 lone 5 57 - 9 - 1.8/7353=4, 10921/7331=1 HA SER 124 - H LEU 98 lone 5 73 - 7 - 7334/3.9=1 Peak 7353 from nnoeabs.peaks (4.02, 7.74, 119.22 ppm; 4.25 A): 2 out of 8 assignments used, quality = 0.93: * HA LYS 95 + H LEU 98 OK 90 100 - 90 - 2961=48, 3.6/7331=23...(15) HA LEU 103 + H LEU 98 OK 31 98 - 32 - 3167/3.9=6, 3158/3.9=5...(10) HA ARG 135 - H LEU 98 OK 24 99 - 24 - 3167/3.9=5, 3158/3.9=5...(8) HB2 SER 38 - H LEU 98 OK 14 92 - 15 - 7371/3.8=4, 7336/3.9=2...(7) HA ILE 37 - H LEU 98 OK 13 100 - 13 - 7371/3.8=3, 7336/3.9=2...(5) HA LEU 119 - H LEU 98 lone 5 87 - 5 - 7371/3.8=1 HB3 SER 124 - H LEU 98 lone 3 57 - 5 - 7371/3.8=1 HA SER 60 - H LEU 98 lone 1 57 - 2 - Peak 7354 from nnoeabs.peaks (8.27, 7.74, 119.22 ppm; 4.14 A): 1 out of 3 assignments used, quality = 0.76: * H LEU 96 + H LEU 98 OK 76 100 - 76 - 7331=31, 7330/3.9=30...(8) H ASP 131 - H LEU 98 lone 9 96 - 10 - 7337/3.9=4, 2960/2961=2 H GLU 40 - H LEU 98 poor 9 87 - 10 - 7337/3.9=4, 2960/2961=1...(5) Peak 7355 from nnoeabs.peaks (4.04, 7.74, 119.22 ppm; 4.25 A): 2 out of 6 assignments used, quality = 0.77: * HA LEU 96 + H LEU 98 OK 72 100 - 72 - 3.6/7356=30, 2.9/7354=26...(7) HA GLU 102 + H LEU 98 OK 18 65 - 28 - 7372/3.8=7, 4.8/7362=6...(6) HA ALA 92 - H LEU 98 lone 8 87 - 9 - 7338/3.9=4, 7324/7331=2 HA LEU 122 - H LEU 98 poor 8 73 - 10 - 7372/3.8=4, 7388/7369=2...(4) HA GLU 44 - H LEU 98 lone 5 81 - 6 - 7372/3.8=2, 7388/7369=1 HD3 PRO 81 - H LEU 98 lone 5 96 - 5 - 7338/3.9=2, 7324/7331=1 Peak 7356 from nnoeabs.peaks (8.50, 7.74, 119.22 ppm; 3.89 A): 1 out of 1 assignment used, quality = 0.99: * H GLU 97 + H LEU 98 OK 99 100 - 99 - 3.9=99 Peak 7357 from nnoeabs.peaks (3.76, 7.74, 119.22 ppm; 4.67 A): 2 out of 3 assignments used, quality = 1.00: * HA GLU 97 + H LEU 98 OK 100 100 - 100 - 3.6=100 HB2 SER 99 + H LEU 98 OK 70 98 - 71 - 3.7/7375=35, 4.5/7369=25...(10) HA VAL 133 - H LEU 98 OK 33 92 - 35 - 3119/4.7=10, 3127/4.7=9...(7) Peak 7358 from nnoeabs.peaks (2.14, 7.74, 119.22 ppm; 3.97 A): 2 out of 2 assignments used, quality = 0.92: * HB2 GLU 97 + H LEU 98 OK 90 100 - 90 - 4.7=62, 1.8/3132=31...(8) HB2 PRO 56 + H LEU 98 OK 23 99 - 23 - 3109/3.6=8, 7345/3.9=6...(5) Peak 7359 from nnoeabs.peaks (2.21, 7.74, 119.22 ppm; 3.78 A): 4 out of 5 assignments used, quality = 0.93: * HB3 GLU 97 + H LEU 98 OK 86 100 - 86 - 4.7=54, 1.8/3124=29...(8) HB2 GLN 101 + H LEU 98 OK 34 57 - 59 - ~3157=18, 3156/2.9=13...(14) HB2 GLN 68 + H LEU 98 OK 14 98 - 14 - 7346/3.9=3, 3110/3.6=3...(6) HB3 GLN 104 + H LEU 98 OK 10 87 - 12 - 3431/2.9=3, ~3421=2...(5) HB3 GLU 128 - H LEU 98 poor 8 65 - 13 - 3.0/7361=2, 3110/3.6=2...(5) Peak 7360 from nnoeabs.peaks (2.27, 7.74, 119.22 ppm; 4.26 A): 2 out of 5 assignments used, quality = 0.90: * HG2 GLU 97 + H LEU 98 OK 87 100 - 87 - 3139=34, 2.9/3124=30...(9) HB3 PRO 113 + H LEU 98 OK 24 98 - 25 - 3111/3.6=7, 3122/4.7=7...(5) HB VAL 105 - H LEU 98 lone 8 87 - 9 - 7347/3.9=2, 3111/3.6=2...(4) HB VAL 132 - H LEU 98 lone 6 65 - 10 - ~10539=4, 3111/3.6=1, 7347/3.9=1 HG2 GLN 61 - H LEU 98 lone 5 57 - 9 - 1.8/7361=2, 3111/3.6=1 Peak 7361 from nnoeabs.peaks (2.42, 7.74, 119.22 ppm; 4.75 A): 2 out of 5 assignments used, quality = 0.98: * HG3 GLU 97 + H LEU 98 OK 91 100 - 91 - 1.8/3139=39, 2.9/3124=36...(10) HG2 GLN 101 + H LEU 98 OK 82 98 - 84 - ~3157=21, ~3156=15...(18) HG3 GLU 128 - H LEU 98 OK 23 100 - 23 - 3112/3.6=5, 3123/4.7=5...(6) HG3 GLN 61 - H LEU 98 OK 12 81 - 15 - 10986/4.8=2, 10986/4.8=2...(7) HB3 PRO 58 - H LEU 98 lone 2 65 - 3 - Peak 7362 from nnoeabs.peaks (4.11, 7.74, 119.22 ppm; 3.69 A): 2 out of 6 assignments used, quality = 1.00: * HA LEU 98 + H LEU 98 OK 100 100 - 100 - 2.9=100 HA GLN 101 + H LEU 98 OK 64 98 - 65 - ~3157=11, ~3155=10...(21) HA LEU 48 - H LEU 98 OK 43 98 - 44 - 1485/3.9=8, 3.0/7364=7...(13) HA LEU 49 - H LEU 98 OK 22 100 - 23 - 9195/7369=7, 7376/3.8=3...(8) HA ILE 32 - H LEU 98 OK 17 98 - 17 - 3.2/7366=2, ~896=2...(10) HA CYS 79 - H LEU 98 lone 6 100 - 5 - Peak 7363 from nnoeabs.peaks (1.65, 7.74, 119.22 ppm; 3.59 A): 1 out of 17 assignments used, quality = 0.96: * HB2 LEU 98 + H LEU 98 OK 96 100 - 96 - 3.9=78, 1.8/3168=33...(16) HD2 LYS 95 - H LEU 98 OK 30 99 - 31 - 5.0/2961=13, 2.9/10018=4...(10) HB2 LEU 123 - H LEU 98 OK 27 99 - 27 - 3149/2.9=5, 3.2/7367=4...(8) HD3 LYS 95 - H LEU 98 OK 23 81 - 28 - 5.0/2961=13, 2.9/10018=4...(10) HG LEU 62 - H LEU 98 lone 5 96 - 6 - 7377/3.8=1, 3149/2.9=1 HD2 LYS 19 - H LEU 98 lone 4 98 - 4 - HD3 LYS 19 - H LEU 98 lone 4 98 - 4 - HD3 LYS 26 - H LEU 98 lone 4 87 - 4 - HD3 LYS 31 - H LEU 98 lone 4 73 - 5 - 2.9/10018=1 HG LEU 43 - H LEU 98 lone 3 65 - 5 - 4.6/7368=2 HD2 LYS 31 - H LEU 98 lone 3 65 - 5 - 2.9/10018=1 HD2 LYS 26 - H LEU 98 lone 3 73 - 3 - QB ALA 88 - H LEU 98 lone 2 65 - 3 - HD3 LYS 24 - H LEU 98 lone 2 73 - 3 - HD2 LYS 86 - H LEU 98 lone 2 81 - 2 - HD3 LYS 86 - H LEU 98 lone 2 81 - 2 - HD2 LYS 24 - H LEU 98 lone 2 65 - 2 - Peak 7364 from nnoeabs.peaks (1.78, 7.74, 119.22 ppm; 3.55 A): 2 out of 5 assignments used, quality = 0.97: * HB3 LEU 98 + H LEU 98 OK 95 100 - 95 - 3.9=75, 3.1/3184=24...(16) HB2 LEU 48 + H LEU 98 OK 47 96 - 49 - 3150/2.9=10, 3162/3.9=7...(15) HG LEU 100 - H LEU 98 OK 21 73 - 28 - 5.1/7369=12, 7378/3.8=5...(8) HB3 LEU 103 - H LEU 98 OK 15 73 - 21 - 11364/4.7=6, 3.0/7353=4...(9) HB3 LEU 122 - H LEU 98 lone 5 65 - 8 - 7378/3.8=2, 3.0/7355=1 Peak 7365 from nnoeabs.peaks (1.71, 7.74, 119.22 ppm; 3.63 A): 2 out of 6 assignments used, quality = 0.96: * HG LEU 98 + H LEU 98 OK 91 100 - 91 - 5.1=36, 2.1/3184=31...(13) HG LEU 48 + H LEU 98 OK 52 96 - 54 - 3176=13, 3151/2.9=8...(15) HB2 LEU 70 - H LEU 98 OK 29 99 - 30 - 3.2/7366=6, 3151/2.9=5...(9) HB3 LEU 70 - H LEU 98 OK 26 92 - 28 - 3.2/7366=6, 3151/2.9=4...(9) HG2 ARG 135 - H LEU 98 OK 11 100 - 11 - 4.2/7353=2, 3172/3.9=1...(5) HD3 LYS 39 - H LEU 98 lone 4 96 - 4 - Peak 7366 from nnoeabs.peaks (0.86, 7.74, 119.22 ppm; 3.68 A): 2 out of 5 assignments used, quality = 0.95: * QD1 LEU 98 + H LEU 98 OK 92 100 - 92 - 4.8=46, 2.1/3192=30...(16) QD2 LEU 70 + H LEU 98 OK 43 87 - 49 - 11109/4.7=11...(15) QG2 VAL 57 - H LEU 98 OK 16 100 - 16 - 9316/3.9=5, 3152/2.9=3...(6) QG2 ILE 32 - H LEU 98 OK 16 73 - 21 - 3152/2.9=4, ~896=2...(10) QD2 LEU 69 - H LEU 98 OK 11 81 - 14 - 3152/2.9=2, 4.9/7368=2...(7) Peak 7367 from nnoeabs.peaks (0.88, 7.74, 119.22 ppm; 3.76 A): 1 out of 3 assignments used, quality = 0.94: * QD2 LEU 98 + H LEU 98 OK 94 100 - 94 - 4.8=49, 2.1/3184=34...(15) QD2 LEU 123 - H LEU 98 OK 23 73 - 32 - 3153/2.9=7, 3165/3.9=6...(9) QD2 LEU 69 - H LEU 98 OK 15 81 - 18 - 3153/2.9=3, 3174/3.9=3...(7) Peak 7368 from nnoeabs.peaks (8.29, 7.74, 119.22 ppm; 3.88 A): 1 out of 5 assignments used, quality = 1.00: * H SER 99 + H LEU 98 OK 100 100 - 100 - 3.8=100 H LEU 43 - H LEU 98 OK 23 96 - 24 - 7350/3.9=4, 3154/2.9=4...(9) H VAL 126 - H LEU 98 OK 22 100 - 22 - 3154/2.9=4, 3166/3.9=3...(9) H LEU 69 - H LEU 98 OK 20 81 - 25 - 3191/4.8=4, 3154/2.9=4...(9) H ALA 110 - H LEU 98 lone 3 65 - 5 - Peak 7369 from nnoeabs.peaks (8.49, 7.74, 119.22 ppm; 3.82 A): 2 out of 2 assignments used, quality = 0.78: * H LEU 100 + H LEU 98 OK 76 100 - 76 - 3.4/7375=27, 3114/3.6=22...(13) H SER 9 + H LEU 98 OK 10 100 - 10 - 7385/3.8=4, 3114/3.6=3 Peak 7370 from nnoeabs.peaks (8.29, 8.29, 116.35 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H SER 99 + H SER 99 OK 100 100 - 100 Peak 7371 from nnoeabs.peaks (4.02, 8.29, 116.35 ppm; 3.57 A): 5 out of 8 assignments used, quality = 0.75: * HA LYS 95 + H SER 99 OK 50 100 - 50 - 2961/3.8=18, 2963/4.6=10...(11) HA LEU 103 + H SER 99 OK 20 98 - 21 - ~7462=4, 3167/4.6=3...(6) HB2 SER 38 + H SER 99 OK 18 92 - 20 - 3.9/9029=5, 1.8/7382=5...(5) HA ARG 135 + H SER 99 OK 12 99 - 12 - 3167/4.6=3, 3158/4.6=3 HA ILE 37 + H SER 99 OK 12 100 - 12 - 3.6/9029=5, 7353/3.8=1...(4) HA LEU 119 - H SER 99 lone 6 87 - 6 - 3.9/11382=3 HB3 SER 124 - H SER 99 lone 5 57 - 9 - 4.0/7772=4, 4.5/7785=2 HA SER 60 - H SER 99 lone 1 57 - 2 - Peak 7372 from nnoeabs.peaks (4.04, 8.29, 116.35 ppm; 3.57 A): 4 out of 6 assignments used, quality = 0.88: * HA LEU 96 + H SER 99 OK 76 100 - 76 - 3064/3.7=27, 3062=27...(11) HA GLU 102 + H SER 99 OK 35 65 - 53 - ~3205=9, ~7443=6...(14) HA LEU 122 + H SER 99 OK 18 73 - 24 - 3.8/11382=5, 3214/3.7=4...(8) HA GLU 44 + H SER 99 OK 11 81 - 14 - 3.6/6535=3, 2.8/6518=3...(6) HA ALA 92 - H SER 99 lone 5 87 - 6 - 7338/7373=1, 7355/3.8=1 HD3 PRO 81 - H SER 99 lone 3 96 - 3 - Peak 7373 from nnoeabs.peaks (8.50, 8.29, 116.35 ppm; 3.87 A): 1 out of 1 assignment used, quality = 0.78: * H GLU 97 + H SER 99 OK 78 100 - 78 - 7350=32, 3.9/7375=24...(13) Peak 7374 from nnoeabs.peaks (3.76, 8.29, 116.35 ppm; 3.88 A): 2 out of 3 assignments used, quality = 1.00: HB2 SER 99 + H SER 99 OK 98 98 - 100 - 3.7=100 * HA GLU 97 + H SER 99 OK 76 100 - 77 - 2.8/7373=31, 3.6/7375=27...(9) HA VAL 133 - H SER 99 OK 12 92 - 13 - 7357/3.8=3, 7344/7373=3...(4) Peak 7375 from nnoeabs.peaks (7.74, 8.29, 116.35 ppm; 3.71 A): 1 out of 1 assignment used, quality = 0.99: * H LEU 98 + H SER 99 OK 99 100 - 99 - 3.8=94, 7369/3.4=22...(13) Peak 7376 from nnoeabs.peaks (4.11, 8.29, 116.35 ppm; 4.01 A): 2 out of 6 assignments used, quality = 1.00: * HA LEU 98 + H SER 99 OK 100 100 - 100 - 3.6=100 HA GLN 101 + H SER 99 OK 48 98 - 49 - 2.9/7386=21, ~7408=7...(10) HA LEU 49 - H SER 99 OK 37 100 - 37 - 9195/3.4=20, 3.9/11382=9...(7) HA LEU 48 - H SER 99 OK 35 98 - 36 - 1485/4.6=8, 3.0/7378=6...(11) HA ILE 32 - H SER 99 OK 13 98 - 13 - 3.2/7380=2, 7362/3.8=2...(6) HA CYS 79 - H SER 99 lone 4 100 - 4 - Peak 7377 from nnoeabs.peaks (1.65, 8.29, 116.35 ppm; 3.72 A): 5 out of 17 assignments used, quality = 0.94: * HB2 LEU 98 + H SER 99 OK 85 100 - 85 - 4.6=52, 3.9/7375=22...(10) HB2 LEU 123 + H SER 99 OK 30 99 - 30 - 3.2/7381=5, 3.0/3916=5...(11) HD2 LYS 95 + H SER 99 OK 19 99 - 19 - 5.0/7371=7, 7363/3.8=3...(6) HG LEU 62 + H SER 99 OK 14 96 - 14 - ~7400=4, 2.1/11008=3 HD3 LYS 95 + H SER 99 OK 13 81 - 17 - 5.0/7371=7, 7363/3.8=2...(6) HG LEU 43 - H SER 99 poor 8 65 - 12 - 2.1/1383=2, 2.1/1375=2...(5) HD2 LYS 19 - H SER 99 lone 4 98 - 4 - HD3 LYS 19 - H SER 99 lone 4 98 - 4 - HD3 LYS 26 - H SER 99 lone 4 87 - 4 - QB ALA 88 - H SER 99 lone 3 65 - 5 - ~7403=2, ~3205=1 HD2 LYS 26 - H SER 99 lone 2 73 - 3 - HD3 LYS 24 - H SER 99 lone 2 73 - 3 - HD3 LYS 31 - H SER 99 lone 2 73 - 3 - HD2 LYS 24 - H SER 99 lone 2 65 - 2 - HD2 LYS 31 - H SER 99 lone 2 65 - 2 - HD2 LYS 86 - H SER 99 lone 1 81 - 2 - HD3 LYS 86 - H SER 99 lone 1 81 - 2 - Peak 7378 from nnoeabs.peaks (1.78, 8.29, 116.35 ppm; 3.56 A): 5 out of 5 assignments used, quality = 0.95: * HB3 LEU 98 + H SER 99 OK 82 100 - 82 - 4.6=46, 3.9/7375=20...(14) HG LEU 100 + H SER 99 OK 42 73 - 58 - ~7401=12, ~3257=9...(16) HB2 LEU 48 + H SER 99 OK 35 96 - 36 - 3150/3.6=8, 3162/4.6=6...(12) HB3 LEU 122 + H SER 99 OK 14 65 - 21 - 3.1/11382=5, ~11381=4...(6) HB3 LEU 103 + H SER 99 OK 11 73 - 16 - 3.0/7371=4, 11730/3.4=4...(5) Peak 7379 from nnoeabs.peaks (1.71, 8.29, 116.35 ppm; 3.96 A): 4 out of 6 assignments used, quality = 0.95: * HG LEU 98 + H SER 99 OK 80 100 - 80 - 2.1/7381=21, 3183=20...(11) HB2 LEU 70 + H SER 99 OK 40 99 - 41 - 3.2/7380=7, 3151/3.6=4...(15) HG LEU 48 + H SER 99 OK 40 96 - 42 - 3151/3.6=8, 3176/3.8=7...(11) HB3 LEU 70 + H SER 99 OK 36 92 - 39 - 3.2/7380=7, 3151/3.6=4...(15) HG2 ARG 135 - H SER 99 OK 10 100 - 10 - 4.2/7371=2, 7365/3.8=1...(5) HD3 LYS 39 - H SER 99 lone 3 96 - 3 - Peak 7380 from nnoeabs.peaks (0.86, 8.29, 116.35 ppm; 3.97 A): 5 out of 5 assignments used, quality = 0.94: * QD1 LEU 98 + H SER 99 OK 84 100 - 84 - 3184/3.8=25, 3191=25...(12) QD2 LEU 70 + H SER 99 OK 40 87 - 46 - 11104/2.9=6, 7366/3.8=6...(13) QG2 VAL 57 + H SER 99 OK 18 100 - 17 - 9316/4.6=4, 3152/3.6=3...(7) QD2 LEU 69 + H SER 99 OK 14 81 - 17 - 3152/3.6=2, 3173/4.6=2...(10) QG2 ILE 32 + H SER 99 OK 12 73 - 16 - 3152/3.6=4, 7366/3.8=2...(6) Peak 7381 from nnoeabs.peaks (0.88, 8.29, 116.35 ppm; 4.14 A): 3 out of 3 assignments used, quality = 0.91: * QD2 LEU 98 + H SER 99 OK 84 100 - 84 - 3153/3.6=27, 3192/3.8=26...(13) QD2 LEU 123 + H SER 99 OK 28 73 - 39 - 3153/3.6=7, 3165/4.6=6...(14) QD2 LEU 69 + H SER 99 OK 18 81 - 22 - 3153/3.6=3, 7367/3.8=3...(10) Peak 7382 from nnoeabs.peaks (4.22, 8.29, 116.35 ppm; 3.73 A): 1 out of 6 assignments used, quality = 1.00: * HA SER 99 + H SER 99 OK 100 100 - 100 - 2.9=100 HB3 SER 38 - H SER 99 OK 22 92 - 24 - 3.9/9029=6, 1.8/7371=6...(9) HA HIS 67 - H SER 99 OK 18 100 - 19 - 7393/3.4=3, 3210/3.7=2...(8) HA SER 51 - H SER 99 lone 10 100 - 10 - 7393/3.4=2, 3210/3.7=2 HA ALA 34 - H SER 99 lone 3 81 - 4 - 10869/9029=1 HA GLU 30 - H SER 99 lone 2 73 - 3 - Peak 7383 from nnoeabs.peaks (3.76, 8.29, 116.35 ppm; 3.88 A): 2 out of 3 assignments used, quality = 1.00: * HB2 SER 99 + H SER 99 OK 100 100 - 100 - 3.7=100 HA GLU 97 + H SER 99 OK 75 98 - 76 - 2.8/7373=31, 3.6/7375=27...(9) HA VAL 133 - H SER 99 poor 9 73 - 12 - 7357/3.8=3, 7344/7373=3...(4) Peak 7384 from nnoeabs.peaks (4.00, 8.29, 116.35 ppm; 3.48 A): 2 out of 5 assignments used, quality = 0.91: * HB3 SER 99 + H SER 99 OK 90 100 - 90 - 3.7=83, 7395/3.4=16...(8) HB2 SER 38 + H SER 99 OK 12 65 - 19 - 3.9/9029=5, 1.8/7382=5...(6) HA SER 50 - H SER 99 lone 6 65 - 9 - 7395/3.4=2, 4.8/7376=2 HB2 SER 124 - H SER 99 lone 5 57 - 9 - 4.0/7772=4, 4.5/7785=2 HA SER 60 - H SER 99 lone 3 96 - 3 - Peak 7385 from nnoeabs.peaks (8.49, 8.29, 116.35 ppm; 3.61 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 100 + H SER 99 OK 100 100 - 100 - 3.4=100 H SER 9 - H SER 99 OK 17 100 - 17 - 3204/2.9=4, 3213/3.7=3...(6) Peak 7386 from nnoeabs.peaks (7.68, 8.29, 116.35 ppm; 4.77 A): 2 out of 2 assignments used, quality = 0.88: * H GLN 101 + H SER 99 OK 86 100 - 86 - 3155/3.6=31, 7407=30...(15) H CYS 45 + H SER 99 OK 13 65 - 19 - 7402/3.4=5, 3.4/6518=3...(5) Peak 7387 from nnoeabs.peaks (8.49, 8.49, 120.88 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 100 + H LEU 100 OK 100 100 - 100 Peak 7388 from nnoeabs.peaks (4.04, 8.49, 120.88 ppm; 4.12 A): 4 out of 6 assignments used, quality = 0.84: * HA LEU 96 + H LEU 100 OK 66 100 - 66 - 3064/4.5=27, 3062/3.4=20...(10) HA GLU 102 + H LEU 100 OK 27 65 - 42 - 2.9/7444=19, 7372/3.4=7...(7) HA LEU 122 + H LEU 100 OK 24 73 - 33 - 3.8/10026=9, 3.0/11730=7...(7) HA GLU 44 + H LEU 100 OK 16 81 - 20 - 3.6/7402=4, 1397/3.1=3...(9) HA ALA 92 - H LEU 100 lone 4 87 - 5 - 7372/3.4=1 HD3 PRO 81 - H LEU 100 lone 3 96 - 3 - Peak 7389 from nnoeabs.peaks (3.76, 8.49, 120.88 ppm; 4.08 A): 2 out of 3 assignments used, quality = 0.99: * HA GLU 97 + H LEU 100 OK 90 100 - 90 - 3114=44, 3.6/7369=25...(16) HB2 SER 99 + H LEU 100 OK 88 98 - 90 - 4.5=73, 1.8/7395=31...(11) HA VAL 133 - H LEU 100 OK 21 92 - 23 - 3231/3.9=5, 3240/3.9=4...(9) Peak 7390 from nnoeabs.peaks (7.74, 8.49, 120.88 ppm; 5.46 A): 1 out of 1 assignment used, quality = 0.96: * H LEU 98 + H LEU 100 OK 96 100 - 96 - 7375/3.4=45, 7369=44...(15) Peak 7391 from nnoeabs.peaks (4.11, 8.49, 120.88 ppm; 4.52 A): 3 out of 6 assignments used, quality = 0.99: * HA LEU 98 + H LEU 100 OK 87 100 - 87 - 2.9/7369=34, 3155/3.1=31...(16) HA GLN 101 + H LEU 100 OK 79 98 - 80 - 3.5/7444=21, ~7418=18...(16) HA LEU 49 + H LEU 100 OK 59 100 - 60 - 9195=40, 3.9/11700=19...(6) HA LEU 48 - H LEU 100 OK 43 98 - 44 - 4.9/9195=17, 3.0/7399=7...(12) HA ILE 32 - H LEU 100 OK 16 98 - 16 - 3.0/7397=4, 7406/3.1=2...(7) HA CYS 79 - H LEU 100 lone 4 100 - 4 - Peak 7392 from nnoeabs.peaks (8.29, 8.49, 120.88 ppm; 3.80 A): 1 out of 5 assignments used, quality = 1.00: * H SER 99 + H LEU 100 OK 100 100 - 100 - 3.4=100 H LEU 43 - H LEU 100 OK 18 96 - 19 - ~10039=3, 7407/3.1=2...(10) H VAL 126 - H LEU 100 OK 15 100 - 15 - 3215/4.5=3, 3209/4.5=2...(6) H LEU 69 - H LEU 100 OK 13 81 - 16 - 3200/3.6=3, 4.4/10027=3...(7) H ALA 110 - H LEU 100 lone 4 65 - 6 - Peak 7393 from nnoeabs.peaks (4.22, 8.49, 120.88 ppm; 4.75 A): 1 out of 6 assignments used, quality = 1.00: * HA SER 99 + H LEU 100 OK 100 100 - 100 - 3.6=100 HA HIS 67 - H LEU 100 OK 27 100 - 27 - 10037/4.9=7, 7382/3.4=5...(9) HB3 SER 38 - H LEU 100 OK 24 92 - 26 - 7382/3.4=6, 1.8/7395=4...(8) HA SER 51 - H LEU 100 OK 15 100 - 14 - 4.9/7395=3, 7408/3.1=3...(6) HA ALA 34 - H LEU 100 lone 3 81 - 4 - HA GLU 30 - H LEU 100 lone 3 73 - 4 - Peak 7394 from nnoeabs.peaks (3.76, 8.49, 120.88 ppm; 4.08 A): 2 out of 3 assignments used, quality = 0.99: * HB2 SER 99 + H LEU 100 OK 90 100 - 90 - 4.5=73, 1.8/7395=31...(11) HA GLU 97 + H LEU 100 OK 88 98 - 89 - 3114=42, 3.6/7369=25...(16) HA VAL 133 - H LEU 100 OK 16 73 - 21 - 3231/3.9=5, 3240/3.9=4...(8) Peak 7395 from nnoeabs.peaks (4.00, 8.49, 120.88 ppm; 3.83 A): 2 out of 5 assignments used, quality = 0.83: * HB3 SER 99 + H LEU 100 OK 81 100 - 81 - 4.5=60, 7384/3.4=22...(9) HA SER 50 + H LEU 100 OK 12 65 - 18 - 4.8/9195=12, 7384/3.4=1...(5) HB2 SER 38 - H LEU 100 poor 10 65 - 15 - 1.8/7393=3, 7384/3.4=3...(6) HA SER 60 - H LEU 100 lone 3 96 - 3 - HB2 SER 124 - H LEU 100 lone 2 57 - 4 - 7384/3.4=1 Peak 7396 from nnoeabs.peaks (3.96, 8.49, 120.88 ppm; 3.96 A): 1 out of 8 assignments used, quality = 1.00: * HA LEU 100 + H LEU 100 OK 100 100 - 100 - 2.9=100 HA2 GLY 17 - H LEU 100 OK 24 100 - 24 - 10679/3.9=8, 3233/3.9=3...(7) HA3 GLY 17 - H LEU 100 OK 24 100 - 24 - 10679/3.9=8, 3233/3.9=3...(7) HB3 SER 107 - H LEU 100 OK 13 100 - 13 - 7410/3.1=2, 3242/3.9=2...(8) HB2 SER 106 - H LEU 100 OK 11 92 - 12 - 3233/3.9=2, 3242/3.9=2...(7) HA GLN 127 - H LEU 100 poor 10 73 - 13 - 11605/3.6=3, 3.0/10027=2...(4) HA THR 65 - H LEU 100 poor 9 65 - 14 - 3266/4.9=2, 3258/5.1=2...(6) HD3 PRO 117 - H LEU 100 lone 3 65 - 4 - Peak 7397 from nnoeabs.peaks (1.82, 8.49, 120.88 ppm; 3.38 A): 1 out of 9 assignments used, quality = 0.91: * HB2 LEU 100 + H LEU 100 OK 91 100 - 91 - 3.9=64, 3.2/7401=20...(18) HB3 LEU 123 - H LEU 100 OK 17 77 - 22 - ~11397=4, 3232=3...(11) HB ILE 32 - H LEU 100 OK 15 96 - 16 - 7411/3.1=3, 3222/2.9=2...(7) HB3 LYS 26 - H LEU 100 OK 14 98 - 14 - 3222/2.9=2, 3243/3.9=2...(8) HB2 LYS 36 - H LEU 100 OK 12 92 - 13 - 3243/3.9=2, 3222/2.9=2...(7) HB VAL 93 - H LEU 100 poor 9 87 - 11 - ~11332=5, 3115/3114=1...(4) HB3 LYS 24 - H LEU 100 poor 9 73 - 12 - 4.7/10047=4, 2.9/7398=1...(4) HB3 ARG 23 - H LEU 100 lone 6 100 - 6 - 3222/2.9=1, ~3229=1 HB3 ARG 135 - H LEU 100 lone 4 96 - 4 - Peak 7398 from nnoeabs.peaks (1.38, 8.49, 120.88 ppm; 3.75 A): 1 out of 14 assignments used, quality = 0.98: * HB3 LEU 100 + H LEU 100 OK 98 100 - 98 - 3.9=88, 3.2/7401=25...(19) HB2 LEU 96 - H LEU 100 OK 36 100 - 37 - 3.0/7388=12, ~3062=6...(11) HG2 LYS 36 - H LEU 100 OK 17 100 - 17 - 3223/2.9=3, 3235/3.9=2...(8) HB2 LEU 42 - H LEU 100 OK 16 100 - 16 - 4.6/7392=2, 1305/3.4=2...(8) HG3 LYS 26 - H LEU 100 OK 16 99 - 16 - 3.0/7397=2, 3223/2.9=2...(8) HG2 LYS 24 - H LEU 100 OK 12 100 - 12 - 2.9/7397=2, 3223/2.9=1...(6) QB ALA 108 - H LEU 100 poor 10 92 - 10 - ~3228=2, ~7424=2...(5) HG3 LYS 95 - H LEU 100 lone 8 87 - 9 - 11383/3.4=2, ~11383=1 HG2 LYS 95 - H LEU 100 lone 6 73 - 8 - 11383/3.4=2, ~11383=1 QB ALA 110 - H LEU 100 lone 6 98 - 5 - 11488/11700=1 QB ALA 29 - H LEU 100 lone 4 100 - 4 - QB ALA 109 - H LEU 100 lone 3 65 - 5 - ~7424=1, ~3228=1 QB ALA 28 - H LEU 100 lone 3 96 - 3 - QB ALA 15 - H LEU 100 lone 2 98 - 2 - Peak 7399 from nnoeabs.peaks (1.78, 8.49, 120.88 ppm; 3.32 A): 3 out of 3 assignments used, quality = 0.94: * HG LEU 100 + H LEU 100 OK 84 100 - 84 - 5.1=28, 2.1/7401=24...(19) HB3 LEU 98 + H LEU 100 OK 49 73 - 67 - 3.9/7369=15, 1.8/10020=8...(24) HB2 LEU 48 + H LEU 100 OK 28 96 - 29 - 3224/2.9=4, 7413/3.1=4...(14) Peak 7400 from nnoeabs.peaks (0.68, 8.49, 120.88 ppm; 4.03 A): 2 out of 2 assignments used, quality = 0.96: * QD2 LEU 100 + H LEU 100 OK 94 100 - 94 - 5.1=50, 2.1/7401=35...(14) QD2 LEU 62 + H LEU 100 OK 38 98 - 39 - 3225/2.9=9, 3246/3.9=8...(8) Peak 7401 from nnoeabs.peaks (0.60, 8.49, 120.88 ppm; 4.05 A): 1 out of 1 assignment used, quality = 0.95: * QD1 LEU 100 + H LEU 100 OK 95 100 - 95 - 4.9=58, 2.1/3257=28...(19) Peak 7402 from nnoeabs.peaks (7.68, 8.49, 120.88 ppm; 3.79 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 101 + H LEU 100 OK 100 100 - 100 - 3.1=100 H CYS 45 - H LEU 100 OK 15 65 - 22 - 3227/2.9=3, 3.6/7388=3...(9) Peak 7403 from nnoeabs.peaks (7.85, 8.49, 120.88 ppm; 5.39 A): 2 out of 2 assignments used, quality = 0.94: * H GLU 102 + H LEU 100 OK 91 100 - 92 - 7444=43, 3205/3.6=34...(17) H ALA 88 + H LEU 100 OK 24 81 - 30 - 4.3/10047=15, 7423/3.1=9...(5) Peak 7404 from nnoeabs.peaks (7.68, 7.68, 119.11 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLN 101 + H GLN 101 OK 100 100 - 100 Peak 7405 from nnoeabs.peaks (3.76, 7.68, 119.11 ppm; 5.50 A): 2 out of 3 assignments used, quality = 0.99: * HA GLU 97 + H GLN 101 OK 91 100 - 92 - 3114/3.1=41, 4.9/3155=30...(17) HB2 SER 99 + H GLN 101 OK 83 98 - 85 - 3.7/7386=32, ~7395=26...(11) HA VAL 133 - H GLN 101 OK 25 92 - 27 - 3231/4.6=7, 3240/4.6=7...(7) Peak 7406 from nnoeabs.peaks (4.11, 7.68, 119.11 ppm; 3.30 A): 2 out of 6 assignments used, quality = 1.00: HA GLN 101 + H GLN 101 OK 98 98 - 100 - 2.9=100 * HA LEU 98 + H GLN 101 OK 75 100 - 76 - 3155=22, 3157/4.0=16...(20) HA LEU 49 - H GLN 101 OK 24 100 - 24 - 9195/3.1=14, 7442/3.1=2...(4) HA LEU 48 - H GLN 101 OK 16 98 - 16 - 3.0/7413=4, 7391/3.1=2...(4) HA ILE 32 - H GLN 101 OK 13 98 - 13 - 3.0/7411=3, 4.2/11398=2 HA CYS 79 - H GLN 101 lone 4 100 - 4 - Peak 7407 from nnoeabs.peaks (8.29, 7.68, 119.11 ppm; 4.94 A): 4 out of 5 assignments used, quality = 0.94: * H SER 99 + H GLN 101 OK 90 100 - 90 - 7386=43, 3.6/3155=32...(15) H LEU 43 + H GLN 101 OK 17 96 - 18 - 7392/3.1=5, 6500/4.6=3...(6) H VAL 126 + H GLN 101 OK 11 100 - 11 - 7392/3.1=4, 3154/3155=2 H LEU 69 + H GLN 101 OK 10 81 - 13 - 7392/3.1=4, 3154/3155=2...(4) H ALA 110 - H GLN 101 lone 6 65 - 9 - 4.7/7424=3, 7392/3.1=1 Peak 7408 from nnoeabs.peaks (4.22, 7.68, 119.11 ppm; 5.09 A): 4 out of 6 assignments used, quality = 0.86: * HA SER 99 + H GLN 101 OK 78 100 - 78 - 3205/3.1=34, 2.9/7386=32...(10) HA HIS 67 + H GLN 101 OK 18 100 - 18 - 7393/3.1=6, 7443/3.1=5...(4) HB3 SER 38 + H GLN 101 OK 15 92 - 17 - 7393/3.1=5, 7443/3.1=5...(5) HA SER 51 + H GLN 101 OK 13 100 - 13 - 7393/3.1=3, 7443/3.1=3 HA ALA 34 - H GLN 101 lone 4 81 - 5 - 7443/3.1=1 HA GLU 30 - H GLN 101 lone 4 73 - 5 - 7443/3.1=1 Peak 7409 from nnoeabs.peaks (8.49, 7.68, 119.11 ppm; 3.57 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 100 + H GLN 101 OK 100 100 - 100 - 3.1=100 H SER 9 - H GLN 101 OK 24 100 - 24 - 3220/3.6=6, 3241/4.6=5...(8) Peak 7410 from nnoeabs.peaks (3.96, 7.68, 119.11 ppm; 4.46 A): 1 out of 8 assignments used, quality = 1.00: * HA LEU 100 + H GLN 101 OK 100 100 - 100 - 3.6=100 HA2 GLY 17 - H GLN 101 OK 26 100 - 26 - 10679/4.6=9, 7396/3.1=4...(9) HA3 GLY 17 - H GLN 101 OK 26 100 - 26 - 10679/4.6=9, 7396/3.1=4...(9) HB3 SER 107 - H GLN 101 OK 20 100 - 20 - 7445/3.1=5, 4.7/7424=3...(6) HA THR 65 - H GLN 101 OK 13 65 - 20 - 11023/4.0=11, 7445/3.1=2...(7) HB2 SER 106 - H GLN 101 OK 12 92 - 13 - 7445/3.1=4, 7396/3.1=2...(4) HA GLN 127 - H GLN 101 poor 10 73 - 13 - 7445/3.1=3, ~7456=2...(4) HD3 PRO 117 - H GLN 101 lone 3 65 - 5 - 7445/3.1=1, ~7457=1 Peak 7411 from nnoeabs.peaks (1.82, 7.68, 119.11 ppm; 3.80 A): 2 out of 9 assignments used, quality = 0.93: * HB2 LEU 100 + H GLN 101 OK 91 100 - 91 - 4.6=55, 3.2/7415=20...(16) HB3 LEU 123 + H GLN 101 OK 25 77 - 32 - 3.2/11397=12, ~11400=6...(8) HB ILE 32 - H GLN 101 OK 22 96 - 23 - 3.2/11398=3, 7397/3.1=3...(10) HB2 LYS 36 - H GLN 101 OK 13 92 - 14 - 3243/4.6=3, 3222/3.6=2...(4) HB3 LYS 26 - H GLN 101 OK 13 98 - 13 - 3222/3.6=2, 7397/3.1=2...(4) HB VAL 93 - H GLN 101 poor 9 87 - 10 - 2.1/11332=5, 7397/3.1=2 HB3 ARG 23 - H GLN 101 lone 6 100 - 6 - 3222/3.6=2, 7397/3.1=1, ~10066=1 HB3 LYS 24 - H GLN 101 lone 6 73 - 8 - 7397/3.1=2, 2.9/7412=1...(4) HB3 ARG 135 - H GLN 101 lone 3 96 - 4 - Peak 7412 from nnoeabs.peaks (1.38, 7.68, 119.11 ppm; 4.22 A): 1 out of 14 assignments used, quality = 0.97: * HB3 LEU 100 + H GLN 101 OK 97 100 - 97 - 4.6=76, 3.2/7415=26...(19) HB2 LEU 96 - H GLN 101 OK 27 100 - 27 - ~7388=7, 7398/3.1=5...(10) HG2 LYS 36 - H GLN 101 OK 22 100 - 22 - 10900/11397=5...(10) HG3 LYS 26 - H GLN 101 OK 17 99 - 17 - 3223/3.6=2, 10053/4.7=2...(8) QB ALA 108 - H GLN 101 OK 13 92 - 14 - 2.9/7424=4, 3.7/7424=2...(6) HG2 LYS 24 - H GLN 101 OK 12 100 - 12 - 7398/3.1=2, 3223/3.6=2...(5) HB2 LEU 42 - H GLN 101 OK 11 100 - 11 - 4.6/7407=2, 7398/3.1=2 QB ALA 110 - H GLN 101 lone 6 98 - 6 - 2.9/7407=1 HG3 LYS 95 - H GLN 101 lone 6 87 - 7 - 7398/3.1=1 QB ALA 29 - H GLN 101 lone 6 100 - 6 - QB ALA 109 - H GLN 101 lone 5 65 - 8 - 2.9/7424=3 HG2 LYS 95 - H GLN 101 lone 4 73 - 6 - QB ALA 28 - H GLN 101 lone 4 96 - 4 - QB ALA 15 - H GLN 101 lone 3 98 - 3 - Peak 7413 from nnoeabs.peaks (1.78, 7.68, 119.11 ppm; 3.90 A): 3 out of 3 assignments used, quality = 0.94: * HG LEU 100 + H GLN 101 OK 84 100 - 84 - 2.1/7415=26, 2.1/3264=23...(14) HB3 LEU 98 + H GLN 101 OK 52 73 - 71 - 3.0/3155=24, 4.6/7386=14...(20) HB2 LEU 48 + H GLN 101 OK 29 96 - 31 - 7399/3.1=6, 3224/3.6=5...(11) Peak 7414 from nnoeabs.peaks (0.68, 7.68, 119.11 ppm; 5.79 A): 2 out of 2 assignments used, quality = 0.99: * QD2 LEU 100 + H GLN 101 OK 99 100 - 99 - 2.1/7415=48, 3264=43...(19) QD2 LEU 62 + H GLN 101 OK 51 98 - 52 - 7400/3.1=14, 3246/4.6=13...(8) Peak 7415 from nnoeabs.peaks (0.60, 7.68, 119.11 ppm; 4.70 A): 1 out of 1 assignment used, quality = 0.95: * QD1 LEU 100 + H GLN 101 OK 95 100 - 95 - 7401/3.1=37, 2.1/3264=34...(18) Peak 7416 from nnoeabs.peaks (4.10, 7.68, 119.11 ppm; 3.30 A): 2 out of 6 assignments used, quality = 1.00: * HA GLN 101 + H GLN 101 OK 100 100 - 100 - 2.9=100 HA LEU 98 + H GLN 101 OK 73 98 - 75 - 3155=21, 3157/4.0=16...(20) HA LEU 49 - H GLN 101 OK 22 96 - 23 - 9195/3.1=13, 7442/3.1=2...(4) HA LEU 48 - H GLN 101 OK 13 87 - 15 - 3.0/7413=4, 7391/3.1=2...(4) HA ILE 32 - H GLN 101 OK 11 87 - 12 - 3.0/7411=3, 4.2/11398=2 HA CYS 79 - H GLN 101 lone 4 98 - 4 - Peak 7417 from nnoeabs.peaks (2.21, 7.68, 119.11 ppm; 3.28 A): 1 out of 3 assignments used, quality = 0.95: * HB2 GLN 101 + H GLN 101 OK 95 100 - 95 - 4.0=57, 1.8/7418=35...(23) HB2 GLN 82 - H GLN 101 OK 32 96 - 33 - 11214/4.7=12, 3275/2.9=7...(8) HB3 GLU 97 - H GLN 101 OK 21 57 - 36 - ~3114=7, 2.9/7419=6...(14) Peak 7418 from nnoeabs.peaks (2.30, 7.68, 119.11 ppm; 3.30 A): 1 out of 1 assignment used, quality = 0.95: * HB3 GLN 101 + H GLN 101 OK 95 100 - 95 - 4.0=58, 1.8/3286=26...(22) Peak 7419 from nnoeabs.peaks (2.42, 7.68, 119.11 ppm; 3.70 A): 1 out of 4 assignments used, quality = 0.97: * HG2 GLN 101 + H GLN 101 OK 97 100 - 97 - 4.7=48, 1.8/7420=39...(20) HG3 GLU 97 - H GLN 101 OK 42 98 - 43 - 3277/2.9=7, 3.8/7405=6...(14) HG3 GLU 128 - H GLN 101 OK 26 99 - 26 - 7450/3.1=6, 3277/2.9=5...(8) HG3 GLN 61 - H GLN 101 lone 1 57 - 2 - Peak 7420 from nnoeabs.peaks (2.56, 7.68, 119.11 ppm; 3.54 A): 1 out of 1 assignment used, quality = 0.96: * HG3 GLN 101 + H GLN 101 OK 96 100 - 96 - 3314=45, 1.8/3305=33...(19) Peak 7423 from nnoeabs.peaks (7.85, 7.68, 119.11 ppm; 3.43 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 102 + H GLN 101 OK 100 100 - 100 - 3.1=100 H ALA 88 - H GLN 101 OK 24 81 - 29 - 3281/2.9=6, ~11293=6...(8) Peak 7424 from nnoeabs.peaks (8.08, 7.68, 119.11 ppm; 4.90 A): 4 out of 5 assignments used, quality = 0.79: * H LEU 103 + H GLN 101 OK 67 100 - 67 - 7464=20, 7465/2.9=20...(8) H ALA 108 + H GLN 101 OK 20 100 - 20 - 3228/3.6=5, 7459/3.1=5...(7) H ALA 109 + H GLN 101 OK 12 100 - 12 - 3228/3.6=3, 7459/3.1=3...(4) HD22 ASN 85 + H GLN 101 OK 10 100 - 10 - 7459/3.1=6, 3228/3.6=2 H ASN 120 - H GLN 101 lone 6 92 - 7 - 7459/3.1=2, 3228/3.6=2 Peak 7425 from nnoeabs.peaks (6.79, 6.79, 111.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 101 + HE21 GLN 101 OK 100 100 - 100 Peak 7426 from nnoeabs.peaks (7.68, 6.79, 111.00 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 101 + HE21 GLN 101 OK 100 100 - 100 - 6.8=100 H CYS 45 - HE21 GLN 101 OK 24 65 - 37 - 7434/1.7=8, 3273/5.1=7...(8) Peak 7427 from nnoeabs.peaks (4.10, 6.79, 111.00 ppm; 4.68 A): 2 out of 6 assignments used, quality = 0.99: * HA GLN 101 + HE21 GLN 101 OK 97 100 - 97 - 5.1=77, 3278/3.5=36...(11) HA LEU 98 + HE21 GLN 101 OK 76 98 - 78 - 3157/4.5=28...(8) HA LEU 49 - HE21 GLN 101 OK 14 96 - 14 - 3285/4.5=3, 7435/1.7=3...(7) HA LEU 48 - HE21 GLN 101 OK 13 87 - 15 - 3193/10057=3, 7435/1.7=2...(8) HA ILE 32 - HE21 GLN 101 lone 8 87 - 9 - 7435/1.7=2, 3306/3.5=1...(5) HA CYS 79 - HE21 GLN 101 lone 6 98 - 6 - 7435/1.7=1 Peak 7428 from nnoeabs.peaks (2.21, 6.79, 111.00 ppm; 4.40 A): 2 out of 3 assignments used, quality = 1.00: * HB2 GLN 101 + HE21 GLN 101 OK 99 100 - 99 - 4.5=93, 1.8/7429=38...(14) HB2 GLN 82 + HE21 GLN 101 OK 54 96 - 56 - 11214/3.5=31...(6) HB3 GLU 97 - HE21 GLN 101 OK 17 57 - 29 - 2.9/7430=7, ~7438=5...(9) Peak 7429 from nnoeabs.peaks (2.30, 6.79, 111.00 ppm; 4.48 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 101 + HE21 GLN 101 OK 100 100 - 100 - 4.5=98, 3308/3.5=43...(14) Peak 7430 from nnoeabs.peaks (2.42, 6.79, 111.00 ppm; 3.61 A): 1 out of 4 assignments used, quality = 1.00: * HG2 GLN 101 + HE21 GLN 101 OK 100 100 - 100 - 3.5=100 HG3 GLU 97 - HE21 GLN 101 OK 26 98 - 27 - 7438/1.7=7, 3318/3.5=5...(8) HG3 GLU 128 - HE21 GLN 101 OK 16 99 - 16 - 7438/1.7=4, 3318/3.5=3...(6) HG3 GLN 61 - HE21 GLN 101 lone 1 57 - 2 - Peak 7431 from nnoeabs.peaks (2.56, 6.79, 111.00 ppm; 3.59 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 101 + HE21 GLN 101 OK 100 100 - 100 - 3.5=100 Peak 7432 from nnoeabs.peaks (7.38, 6.79, 111.00 ppm; 2.50 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 101 + HE21 GLN 101 OK 100 100 - 100 - 1.7=100 Peak 7433 from nnoeabs.peaks (7.38, 7.38, 111.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 101 + HE22 GLN 101 OK 100 100 - 100 Peak 7434 from nnoeabs.peaks (7.68, 7.38, 111.00 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 101 + HE22 GLN 101 OK 100 100 - 100 - 6.8=100 H CYS 45 - HE22 GLN 101 OK 23 65 - 34 - 7426/1.7=8, 3273/5.1=7...(6) Peak 7435 from nnoeabs.peaks (4.10, 7.38, 111.00 ppm; 4.36 A): 2 out of 6 assignments used, quality = 0.98: * HA GLN 101 + HE22 GLN 101 OK 94 100 - 94 - 5.1=62, 3.8/7439=34...(10) HA LEU 98 + HE22 GLN 101 OK 70 98 - 71 - 3157/4.5=24...(7) HA LEU 49 - HE22 GLN 101 OK 12 96 - 13 - 3285/4.5=2, 3315/3.5=2...(6) HA LEU 48 - HE22 GLN 101 OK 10 87 - 12 - 3185/10059=3, 7427/1.7=2...(6) HA ILE 32 - HE22 GLN 101 lone 7 87 - 8 - 7427/1.7=1, 3306/3.5=1...(5) HA CYS 79 - HE22 GLN 101 lone 5 98 - 5 - 7427/1.7=1 Peak 7436 from nnoeabs.peaks (2.21, 7.38, 111.00 ppm; 4.31 A): 2 out of 3 assignments used, quality = 0.99: * HB2 GLN 101 + HE22 GLN 101 OK 99 100 - 99 - 4.5=87, 2.9/7439=40...(11) HB2 GLN 82 + HE22 GLN 101 OK 52 96 - 55 - 11214/3.5=30...(6) HB3 GLU 97 - HE22 GLN 101 OK 16 57 - 28 - 2.9/7438=7, ~7430=5...(9) Peak 7437 from nnoeabs.peaks (2.30, 7.38, 111.00 ppm; 4.39 A): 1 out of 1 assignment used, quality = 0.99: * HB3 GLN 101 + HE22 GLN 101 OK 99 100 - 99 - 4.5=92, 3308/3.5=42...(11) Peak 7438 from nnoeabs.peaks (2.42, 7.38, 111.00 ppm; 3.40 A): 1 out of 4 assignments used, quality = 0.97: * HG2 GLN 101 + HE22 GLN 101 OK 97 100 - 97 - 3.5=90, 1.8/7439=37...(11) HG3 GLU 97 - HE22 GLN 101 OK 23 98 - 24 - 7430/1.7=6, 3318/3.5=4...(8) HG3 GLU 128 - HE22 GLN 101 OK 14 99 - 14 - 7430/1.7=4, 3318/3.5=3...(5) HG3 GLN 61 - HE22 GLN 101 lone 1 57 - 1 - Peak 7439 from nnoeabs.peaks (2.56, 7.38, 111.00 ppm; 3.28 A): 1 out of 1 assignment used, quality = 0.93: * HG3 GLN 101 + HE22 GLN 101 OK 93 100 - 93 - 3.5=81, 1.8/7438=24...(8) Peak 7440 from nnoeabs.peaks (6.79, 7.38, 111.00 ppm; 2.50 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 101 + HE22 GLN 101 OK 100 100 - 100 - 1.7=100 Peak 7441 from nnoeabs.peaks (7.85, 7.85, 118.36 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 102 + H GLU 102 OK 100 100 - 100 Peak 7442 from nnoeabs.peaks (4.11, 7.85, 118.36 ppm; 3.63 A): 2 out of 6 assignments used, quality = 0.99: HA GLN 101 + H GLU 102 OK 98 98 - 100 - 3.5=100 * HA LEU 98 + H GLU 102 OK 54 100 - 54 - 3155/3.1=20, 3157/4.7=16...(10) HA LEU 49 - H GLU 102 OK 16 100 - 16 - 9195/7444=4, 7406/3.1=3...(6) HA LEU 48 - H GLU 102 OK 11 98 - 11 - 7406/3.1=2, ~7413=2, ~6575=1 HA ILE 32 - H GLU 102 lone 8 98 - 8 - 7406/3.1=2, ~7411=1, 7465/3.0=1 HA CYS 79 - H GLU 102 lone 4 100 - 4 - Peak 7443 from nnoeabs.peaks (4.22, 7.85, 118.36 ppm; 4.14 A): 3 out of 6 assignments used, quality = 0.86: * HA SER 99 + H GLU 102 OK 81 100 - 81 - 3205=35, 3332/3.8=17...(13) HA HIS 67 + H GLU 102 OK 15 100 - 15 - 3340/3.8=4, 3332/3.8=4...(5) HB3 SER 38 + H GLU 102 OK 15 92 - 16 - 7462/3.0=3, 3332/3.8=3...(6) HA SER 51 - H GLU 102 lone 9 100 - 9 - 7408/3.1=2, 3332/3.8=2...(4) HA ALA 34 - H GLU 102 lone 4 81 - 5 - HA GLU 30 - H GLU 102 lone 4 73 - 5 - Peak 7444 from nnoeabs.peaks (8.49, 7.85, 118.36 ppm; 5.14 A): 2 out of 2 assignments used, quality = 0.90: * H LEU 100 + H GLU 102 OK 89 100 - 89 - 7403=34, 3.6/3205=32...(17) H SER 9 + H GLU 102 OK 15 100 - 15 - 7409/3.1=9, 3204/3205=3 Peak 7445 from nnoeabs.peaks (3.96, 7.85, 118.36 ppm; 4.44 A): 7 out of 8 assignments used, quality = 0.89: * HA LEU 100 + H GLU 102 OK 66 100 - 66 - 2.9/7444=22, 4.9/3205=19...(11) HB3 SER 107 + H GLU 102 OK 29 100 - 29 - 7463/3.0=8...(9) HB2 SER 106 + H GLU 102 OK 22 92 - 24 - 4.0/7460=7, 7463/3.0=5...(6) HA GLN 127 + H GLU 102 OK 18 73 - 24 - 3.8/7457=5, 3.0/7456=4...(9) HA3 GLY 17 + H GLU 102 OK 11 100 - 11 - 7410/3.1=4, ~7410=3...(4) HA2 GLY 17 + H GLU 102 OK 11 100 - 11 - 7410/3.1=4, ~7410=3...(4) HA THR 65 + H GLU 102 OK 10 65 - 16 - 11023/4.7=9, 7410/3.1=2 HD3 PRO 117 - H GLU 102 poor 8 65 - 11 - 3.0/7457=2, 7463/3.0=2, ~7470=1 Peak 7446 from nnoeabs.peaks (7.68, 7.85, 118.36 ppm; 3.39 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 101 + H GLU 102 OK 100 100 - 100 - 3.1=100 H CYS 45 - H GLU 102 OK 15 65 - 23 - 3.6/7454=4, 3273/3.5=3...(10) Peak 7447 from nnoeabs.peaks (4.10, 7.85, 118.36 ppm; 3.63 A): 2 out of 6 assignments used, quality = 1.00: * HA GLN 101 + H GLU 102 OK 100 100 - 100 - 3.5=100 HA LEU 98 + H GLU 102 OK 52 98 - 53 - 3155/3.1=19, 3157/4.7=16...(10) HA LEU 49 - H GLU 102 OK 15 96 - 15 - 9195/7444=4, 7406/3.1=3...(6) HA LEU 48 - H GLU 102 poor 10 87 - 11 - 7406/3.1=2, ~7413=2, ~6575=1 HA ILE 32 - H GLU 102 lone 7 87 - 8 - 7406/3.1=2, ~7411=1, 7465/3.0=1 HA CYS 79 - H GLU 102 lone 4 98 - 4 - Peak 7448 from nnoeabs.peaks (2.21, 7.85, 118.36 ppm; 3.15 A): 3 out of 3 assignments used, quality = 0.89: * HB2 GLN 101 + H GLU 102 OK 85 100 - 85 - 1.8/7449=31, 4.7=31...(13) HB2 GLN 82 + H GLU 102 OK 20 96 - 21 - 3275/3.5=5, 7417/3.1=5...(6) HB3 GLU 97 + H GLU 102 OK 14 57 - 24 - 4.0/11356=8, 2.9/7450=4...(8) Peak 7449 from nnoeabs.peaks (2.30, 7.85, 118.36 ppm; 3.38 A): 1 out of 1 assignment used, quality = 0.88: * HB3 GLN 101 + H GLU 102 OK 88 100 - 88 - 4.7=38, 1.8/7448=28...(13) Peak 7450 from nnoeabs.peaks (2.42, 7.85, 118.36 ppm; 4.09 A): 1 out of 4 assignments used, quality = 0.97: * HG2 GLN 101 + H GLU 102 OK 97 100 - 97 - 1.8/7451=43, 2.9/7449=37...(15) HG3 GLU 128 - H GLU 102 OK 43 99 - 43 - 3.0/7455=7, 3.0/7456=6...(13) HG3 GLU 97 - H GLU 102 OK 41 98 - 42 - 4.6/11356=13, 7419/3.1=8...(9) HG3 GLN 61 - H GLU 102 lone 1 57 - 2 - Peak 7451 from nnoeabs.peaks (2.56, 7.85, 118.36 ppm; 3.63 A): 1 out of 1 assignment used, quality = 0.91: * HG3 GLN 101 + H GLU 102 OK 91 100 - 91 - 2.9/7449=30, 7420/3.1=28...(14) Peak 7454 from nnoeabs.peaks (4.05, 7.85, 118.36 ppm; 3.32 A): 1 out of 5 assignments used, quality = 1.00: * HA GLU 102 + H GLU 102 OK 100 100 - 100 - 2.9=100 HA LEU 122 - H GLU 102 OK 43 100 - 44 - 3323=7, 3.0/11410=7...(16) HA GLU 44 - H GLU 102 OK 32 99 - 32 - 3.0/7455=5, 3334/3.8=3...(16) HA LEU 96 - H GLU 102 OK 15 65 - 23 - 3.6/11356=9, 3.0/7456=2...(5) HA ALA 92 - H GLU 102 OK 12 98 - 12 - 3342/3.8=2, 3334/3.8=2...(7) Peak 7455 from nnoeabs.peaks (2.08, 7.85, 118.36 ppm; 3.40 A): 2 out of 7 assignments used, quality = 0.95: * HB2 GLU 102 + H GLU 102 OK 92 100 - 92 - 3.8=69, 1.8/3341=26...(15) HB2 GLU 128 + H GLU 102 OK 33 100 - 33 - 1.8/7456=6, 3343/3.8=5...(10) HB3 GLU 44 - H GLU 102 OK 33 96 - 34 - 1411/2.9=6, 3.0/7454=4...(15) HG3 GLN 134 - H GLU 102 lone 7 100 - 7 - 7468/3.0=3, 3325/2.9=1 HB3 LYS 39 - H GLU 102 lone 6 98 - 6 - HB VAL 57 - H GLU 102 lone 1 73 - 1 - HG3 PRO 58 - H GLU 102 lone 1 57 - 2 - Peak 7456 from nnoeabs.peaks (2.23, 7.85, 118.36 ppm; 3.16 A): 3 out of 7 assignments used, quality = 0.93: * HB3 GLU 102 + H GLU 102 OK 87 100 - 87 - 3.8=55, 1.8/3333=20...(18) HB3 GLU 128 + H GLU 102 OK 31 96 - 33 - 1.8/7455=6, 3336/3.8=4...(13) HB3 GLN 104 + H GLU 102 OK 27 81 - 33 - 3.9/7483=19, 3284/3.5=8...(5) HB3 GLN 127 - H GLU 102 OK 20 98 - 20 - 3.0/7457=3, 3336/3.8=3...(9) HB3 LEU 96 - H GLU 102 OK 16 81 - 20 - 4.4/11356=7, 3.0/7454=2...(8) HG2 GLN 68 - H GLU 102 lone 5 99 - 5 - HG2 GLU 91 - H GLU 102 lone 3 99 - 3 - Peak 7457 from nnoeabs.peaks (2.36, 7.85, 118.36 ppm; 3.56 A): 3 out of 5 assignments used, quality = 0.91: * HG2 GLU 102 + H GLU 102 OK 88 100 - 88 - 5.0=36, 1.8/7458=31...(14) HG2 GLN 127 + H GLU 102 OK 23 96 - 24 - 3345/3.8=5, 3337/3.8=4...(9) HG3 GLN 27 + H GLU 102 OK 11 100 - 11 - 3327/2.9=2, 3337/3.8=2...(5) HG2 GLN 27 - H GLU 102 poor 9 87 - 11 - 3327/2.9=2, 3337/3.8=2...(7) HB2 PRO 117 - H GLU 102 lone 8 98 - 8 - 7470/3.0=2, 3327/2.9=1...(4) Peak 7458 from nnoeabs.peaks (2.52, 7.85, 118.36 ppm; 3.44 A): 2 out of 2 assignments used, quality = 0.89: * HG3 GLU 102 + H GLU 102 OK 86 100 - 86 - 5.0=33, 1.8/3348=24...(16) HG3 MET 11 + H GLU 102 OK 20 100 - 20 - 3338/3.8=5, 3346/3.8=5...(5) Peak 7459 from nnoeabs.peaks (8.08, 7.85, 118.36 ppm; 3.58 A): 1 out of 5 assignments used, quality = 1.00: * H LEU 103 + H GLU 102 OK 100 100 - 100 - 3.0=100 HD22 ASN 85 - H GLU 102 OK 24 100 - 25 - 9805/3.8=5, 3347/3.8=4...(9) H ALA 108 - H GLU 102 OK 18 100 - 18 - 7424/3.1=3, 4.7/7445=2...(6) H ALA 109 - H GLU 102 lone 10 100 - 9 - 7424/3.1=2, 3347/3.8=1 H ASN 120 - H GLU 102 lone 8 92 - 9 - 3329/2.9=1 Peak 7460 from nnoeabs.peaks (7.90, 7.85, 118.36 ppm; 3.65 A): 2 out of 4 assignments used, quality = 0.86: * H GLN 104 + H GLU 102 OK 81 100 - 81 - 7483=48, 7484/2.9=18...(13) H SER 106 + H GLU 102 OK 29 99 - 29 - 4.3/10065=10...(5) H ALA 41 - H GLU 102 lone 7 92 - 7 - 7478/3.0=3 H THR 115 - H GLU 102 lone 3 73 - 4 - Peak 7461 from nnoeabs.peaks (8.08, 8.08, 120.56 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 103 + H LEU 103 OK 100 100 - 100 Peak 7462 from nnoeabs.peaks (4.22, 8.08, 120.56 ppm; 5.89 A): 4 out of 6 assignments used, quality = 0.88: * HA SER 99 + H LEU 103 OK 77 100 - 77 - 3205/3.0=41, 3332/4.6=26...(6) HB3 SER 38 + H LEU 103 OK 28 92 - 30 - 9033/4.6=6, 7443/3.0=5...(10) HA HIS 67 + H LEU 103 OK 21 100 - 21 - 3340/4.6=7, 3332/4.6=6...(4) HA SER 51 + H LEU 103 OK 13 100 - 13 - 7443/3.0=3, 3340/4.6=3...(4) HA ALA 34 - H LEU 103 poor 9 81 - 11 - 9006/7475=2, 10873/4.8=1...(6) HA GLU 30 - H LEU 103 lone 6 73 - 7 - 7443/3.0=1, 3332/4.6=1 Peak 7463 from nnoeabs.peaks (3.96, 8.08, 120.56 ppm; 3.96 A): 4 out of 8 assignments used, quality = 0.84: * HA LEU 100 + H LEU 103 OK 64 100 - 64 - 3230/3.9=13, 3.6/7424=11...(11) HB3 SER 107 + H LEU 103 OK 35 100 - 35 - 3513=9, 7481/4.6=4...(11) HB2 SER 106 + H LEU 103 OK 24 92 - 26 - 4.0/7478=8, 7481/4.6=5...(6) HA GLN 127 + H LEU 103 OK 12 73 - 16 - 3.0/7469=3, 3.8/7470=3...(5) HD3 PRO 117 - H LEU 103 poor 9 65 - 13 - 11922/4.8=3, 3370/3.9=2...(5) HA3 GLY 17 - H LEU 103 lone 6 100 - 6 - 7445/3.0=2, ~7445=1 HA2 GLY 17 - H LEU 103 lone 6 100 - 6 - 7445/3.0=2, ~7445=1 HA THR 65 - H LEU 103 lone 5 65 - 8 - 3370/3.9=2, 7445/3.0=1 Peak 7464 from nnoeabs.peaks (7.68, 8.08, 120.56 ppm; 6.16 A): 2 out of 2 assignments used, quality = 0.85: * H GLN 101 + H LEU 103 OK 81 100 - 81 - 7424=29, 2.9/7465=25...(9) H CYS 45 + H LEU 103 OK 18 65 - 28 - 7446/3.0=7, 4.7/7468=6...(8) Peak 7465 from nnoeabs.peaks (4.10, 8.08, 120.56 ppm; 4.31 A): 3 out of 6 assignments used, quality = 0.81: * HA GLN 101 + H LEU 103 OK 68 100 - 68 - 7482/4.6=17, ~7449=17...(10) HA LEU 98 + H LEU 103 OK 31 98 - 32 - 7447/3.0=10, 3155/7424=5...(9) HA LEU 49 + H LEU 103 OK 14 96 - 15 - 3.7/7473=4, 7482/4.6=3...(4) HA ILE 32 - H LEU 103 lone 6 87 - 7 - 7442/3.0=2, 7482/4.6=1 HA LEU 48 - H LEU 103 lone 6 87 - 6 - 7442/3.0=2, 7482/4.6=1 HA CYS 79 - H LEU 103 lone 3 98 - 3 - 7482/4.6=1 Peak 7466 from nnoeabs.peaks (7.85, 8.08, 120.56 ppm; 3.51 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 102 + H LEU 103 OK 100 100 - 100 - 3.0=100 H ALA 88 - H LEU 103 OK 15 81 - 18 - 3323/3.6=3, 3333/4.6=3...(8) Peak 7467 from nnoeabs.peaks (4.05, 8.08, 120.56 ppm; 3.75 A): 2 out of 5 assignments used, quality = 1.00: * HA GLU 102 + H LEU 103 OK 100 100 - 100 - 3.6=100 HA LEU 122 + H LEU 103 OK 55 100 - 55 - 3.0/7474=10, 2.9/7720=7...(16) HA GLU 44 - H LEU 103 OK 23 99 - 23 - 7454/3.0=5, 3334/4.6=4...(8) HA ALA 92 - H LEU 103 OK 12 98 - 12 - 3342/4.6=2, 3334/4.6=2...(4) HA LEU 96 - H LEU 103 OK 10 65 - 16 - 7454/3.0=2, 4.0/7477=2...(6) Peak 7468 from nnoeabs.peaks (2.08, 8.08, 120.56 ppm; 4.09 A): 1 out of 7 assignments used, quality = 0.95: * HB2 GLU 102 + H LEU 103 OK 95 100 - 95 - 4.6=72, 3333/3.0=26...(12) HB2 GLU 128 - H LEU 103 OK 32 100 - 32 - 7455/3.0=7, 1.8/7469=7...(8) HB3 GLU 44 - H LEU 103 OK 26 96 - 27 - 1411/3.6=7, 7455/3.0=7...(7) HG3 GLN 134 - H LEU 103 OK 23 100 - 23 - 11685/5.0=18, 7455/3.0=1...(4) HB3 LYS 39 - H LEU 103 lone 7 98 - 7 - 10069/4.8=1, 7455/3.0=1...(4) HG3 PRO 58 - H LEU 103 lone 2 57 - 3 - 10069/4.8=1 HB VAL 57 - H LEU 103 lone 1 73 - 2 - Peak 7469 from nnoeabs.peaks (2.23, 8.08, 120.56 ppm; 3.94 A): 2 out of 7 assignments used, quality = 0.95: * HB3 GLU 102 + H LEU 103 OK 93 100 - 93 - 4.6=65, 3341/3.0=26...(15) HB3 GLU 128 + H LEU 103 OK 34 96 - 36 - 1.8/7468=6, 7456/3.0=6...(10) HB3 GLN 104 - H LEU 103 OK 33 81 - 41 - 3.9/7485=15, 4.4/7519=10...(9) HB3 GLN 127 - H LEU 103 OK 23 98 - 24 - 7456/3.0=4, 3.0/7470=4...(9) HB3 LEU 96 - H LEU 103 OK 12 81 - 15 - 7456/3.0=3, 3.2/7477=3...(6) HG2 GLN 68 - H LEU 103 lone 6 99 - 6 - HG2 GLU 91 - H LEU 103 lone 4 99 - 4 - Peak 7470 from nnoeabs.peaks (2.36, 8.08, 120.56 ppm; 5.17 A): 1 out of 5 assignments used, quality = 0.97: * HG2 GLU 102 + H LEU 103 OK 97 100 - 97 - 3348/3.0=35, 1.8/7471=33...(14) HG2 GLN 127 - H LEU 103 OK 35 96 - 37 - 3345/4.6=8, 7457/3.0=7...(8) HB2 PRO 117 - H LEU 103 OK 19 98 - 19 - 4.3/7644=6, 7457/3.0=3...(6) HG3 GLN 27 - H LEU 103 OK 18 100 - 17 - 7457/3.0=4, 3327/3.6=3...(5) HG2 GLN 27 - H LEU 103 OK 15 87 - 17 - 7457/3.0=3, 3327/3.6=3...(6) Peak 7471 from nnoeabs.peaks (2.52, 8.08, 120.56 ppm; 4.77 A): 2 out of 2 assignments used, quality = 0.96: * HG3 GLU 102 + H LEU 103 OK 94 100 - 94 - 7458/3.0=35, 3356/3.6=23...(15) HG3 MET 11 + H LEU 103 OK 31 100 - 31 - 7458/3.0=8, 3346/4.6=8...(6) Peak 7472 from nnoeabs.peaks (4.02, 8.08, 120.56 ppm; 3.54 A): 1 out of 7 assignments used, quality = 1.00: * HA LEU 103 + H LEU 103 OK 100 100 - 100 - 3.0=100 HA ILE 37 - H LEU 103 OK 34 96 - 36 - 4.0/7475=7, 3372/3.9=5...(11) HA LEU 119 - H LEU 103 OK 17 65 - 26 - 2.8/7657=4, 3764/3.9=2...(14) HB2 SER 38 - H LEU 103 OK 13 99 - 13 - 1.8/7462=2, ~7443=2...(7) HA LYS 95 - H LEU 103 lone 10 98 - 10 - 2963/3.9=2, 3372/3.9=1 HA ARG 135 - H LEU 103 lone 6 100 - 6 - HA SER 60 - H LEU 103 lone 2 81 - 2 - Peak 7473 from nnoeabs.peaks (1.58, 8.08, 120.56 ppm; 3.35 A): 3 out of 3 assignments used, quality = 0.93: * HB2 LEU 103 + H LEU 103 OK 91 100 - 91 - 3.9=63, 3.1/7477=17...(20) HG2 ARG 23 + H LEU 103 OK 17 99 - 17 - 3364/3.0=4, 3382/3.9=2...(7) HG LEU 49 + H LEU 103 OK 16 92 - 17 - 3364/3.0=4, 7487/4.6=2...(8) Peak 7474 from nnoeabs.peaks (1.79, 8.08, 120.56 ppm; 3.60 A): 2 out of 5 assignments used, quality = 0.99: * HB3 LEU 103 + H LEU 103 OK 96 100 - 96 - 3.9=77, 1.8/7473=29...(19) HB3 LEU 122 + H LEU 103 OK 65 100 - 65 - 3380=9, 3374/3.9=8...(20) HB2 LYS 86 - H LEU 103 OK 19 99 - 19 - 4.0/7137=6, 3365/3.0=3...(8) HB3 LEU 98 - H LEU 103 OK 19 73 - 26 - 3.0/7465=5, 3167/3.0=3...(9) HB3 LEU 123 - H LEU 103 lone 1 31 - 3 - Peak 7475 from nnoeabs.peaks (1.56, 8.08, 120.56 ppm; 3.54 A): 2 out of 2 assignments used, quality = 0.93: * HG LEU 103 + H LEU 103 OK 88 100 - 88 - 5.0=36, 2.1/7477=23...(15) HG13 ILE 37 + H LEU 103 OK 46 92 - 50 - 3366/3.0=10, 3375/3.9=9...(14) Peak 7476 from nnoeabs.peaks (0.78, 8.08, 120.56 ppm; 3.74 A): 3 out of 5 assignments used, quality = 0.98: * QD1 LEU 103 + H LEU 103 OK 93 100 - 93 - 4.8=46, 2.1/7477=26...(22) QD2 LEU 122 + H LEU 103 OK 55 92 - 60 - 3.1/7474=9, ~11702=8...(18) QD1 ILE 37 + H LEU 103 OK 49 98 - 50 - 2.1/7475=13, 3367/3.0=8...(14) QG1 VAL 63 - H LEU 103 OK 34 100 - 34 - 11015/5.0=9, 7490/4.6=4...(9) QD1 ILE 32 - H LEU 103 poor 10 92 - 10 - 7490/4.6=1 Peak 7477 from nnoeabs.peaks (0.74, 8.08, 120.56 ppm; 3.85 A): 3 out of 4 assignments used, quality = 0.95: * QD2 LEU 103 + H LEU 103 OK 93 100 - 93 - 5.0=45, 3368/3.0=27...(19) QD2 LEU 96 + H LEU 103 OK 12 73 - 16 - 3368/3.0=3, 3377/3.9=2...(9) HG12 ILE 129 + H LEU 103 OK 11 65 - 17 - ~10455=12, 3368/3.0=1 QG1 VAL 93 - H LEU 103 lone 3 65 - 5 - Peak 7478 from nnoeabs.peaks (7.90, 8.08, 120.56 ppm; 3.56 A): 2 out of 4 assignments used, quality = 0.95: * H GLN 104 + H LEU 103 OK 89 100 - 89 - 4.6=46, 7483/3.0=32...(18) H SER 106 + H LEU 103 OK 49 99 - 50 - 4.7/7519=7, 3369/3.0=7...(15) H ALA 41 - H LEU 103 OK 15 92 - 16 - 3369/3.0=3, 3378/3.9=2...(8) H THR 115 - H LEU 103 lone 5 73 - 6 - Peak 7480 from nnoeabs.peaks (7.90, 7.90, 117.67 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLN 104 + H GLN 104 OK 100 100 - 100 Peak 7481 from nnoeabs.peaks (3.96, 7.90, 117.67 ppm; 3.90 A): 3 out of 8 assignments used, quality = 0.73: * HA LEU 100 + H GLN 104 OK 44 100 - 44 - 4.9/7482=12, 3230/4.6=11...(9) HB2 SER 106 + H GLN 104 OK 34 92 - 37 - 3489=9, 1.8/3494=9...(9) HB3 SER 107 + H GLN 104 OK 28 100 - 28 - 4.1/7545=5...(10) HA GLN 127 - H GLN 104 lone 6 73 - 9 - 3.0/7494=2, 7463/4.6=1 HD3 PRO 117 - H GLN 104 lone 5 65 - 8 - 3370/4.6=2, 10090/3477=2...(4) HA THR 65 - H GLN 104 lone 5 65 - 8 - 3370/4.6=1, 3.2/11029=1 HA2 GLY 17 - H GLN 104 lone 4 100 - 4 - HA3 GLY 17 - H GLN 104 lone 4 100 - 4 - Peak 7482 from nnoeabs.peaks (4.10, 7.90, 117.67 ppm; 3.25 A): 3 out of 6 assignments used, quality = 0.73: * HA GLN 101 + H GLN 104 OK 64 100 - 64 - 3.5/7483=23, 3283/3.9=17...(8) HA LEU 49 + H GLN 104 OK 13 96 - 13 - 3.7/7487=3, 4.1/11444=2...(7) HA LEU 98 + H GLN 104 OK 13 98 - 13 - 7447/7483=3, 7465/4.6=3...(7) HA ILE 32 - H GLN 104 lone 5 87 - 5 - HA LEU 48 - H GLN 104 lone 5 87 - 5 - 3431/3.9=1 HA CYS 79 - H GLN 104 lone 4 98 - 4 - Peak 7483 from nnoeabs.peaks (7.85, 7.90, 117.67 ppm; 2.75 A): 1 out of 2 assignments used, quality = 0.49: * H GLU 102 + H GLN 104 OK 49 100 - 49 - 7460=14, 2.9/7484=11...(9) H ALA 88 - H GLN 104 lone 3 81 - 3 - 7466/4.6=1, 3281/7482=1 Peak 7484 from nnoeabs.peaks (4.05, 7.90, 117.67 ppm; 3.15 A): 2 out of 5 assignments used, quality = 0.64: * HA GLU 102 + H GLN 104 OK 53 100 - 53 - 2.9/7483=27, 3.6/7485=11...(9) HA LEU 122 + H GLN 104 OK 24 100 - 24 - 3.0/7488=7, 7467/4.6=3...(7) HA ALA 92 - H GLN 104 lone 8 98 - 8 - ~2897=3, ~7247=2 HA GLU 44 - H GLN 104 lone 5 99 - 5 - 7454/7483=2, 7467/4.6=1 HA LEU 96 - H GLN 104 lone 4 65 - 6 - 4.0/7491=1 Peak 7485 from nnoeabs.peaks (8.08, 7.90, 117.67 ppm; 3.58 A): 3 out of 5 assignments used, quality = 0.94: * H LEU 103 + H GLN 104 OK 90 100 - 90 - 4.6=46, 3.0/7483=33...(18) H ALA 108 + H GLN 104 OK 22 100 - 22 - 4.3/7545=4, 4.7/7481=3...(10) HD22 ASN 85 + H GLN 104 OK 21 100 - 21 - 9804/3.9=7, 3362/3.6=3...(6) H ASN 120 - H GLN 104 poor 10 92 - 11 - 3362/3.6=2, 3371/4.6=2 H ALA 109 - H GLN 104 lone 9 100 - 9 - 3362/3.6=1, 7519/4.7=1 Peak 7486 from nnoeabs.peaks (4.02, 7.90, 117.67 ppm; 3.53 A): 1 out of 7 assignments used, quality = 0.99: * HA LEU 103 + H GLN 104 OK 99 100 - 99 - 3.6=97, 3.0/7487=19...(12) HA ILE 37 - H GLN 104 OK 24 96 - 25 - 4.0/7489=6, 3372/4.6=4...(8) HB2 SER 38 - H GLN 104 OK 10 99 - 10 - 1.8/9033=4, 7472/4.6=1 HA LYS 95 - H GLN 104 lone 7 98 - 7 - 2963/4.6=2 HA LEU 119 - H GLN 104 lone 6 65 - 9 - 3764/4.6=2, 7472/4.6=2...(4) HA ARG 135 - H GLN 104 lone 4 100 - 4 - HA SER 60 - H GLN 104 lone 2 81 - 2 - Peak 7487 from nnoeabs.peaks (1.58, 7.90, 117.67 ppm; 3.59 A): 3 out of 3 assignments used, quality = 0.91: * HB2 LEU 103 + H GLN 104 OK 87 100 - 87 - 4.6=47, 3.1/7491=22...(13) HG LEU 49 + H GLN 104 OK 21 92 - 22 - ~11433=5, 3364/3.6=4...(9) HG2 ARG 23 + H GLN 104 OK 14 99 - 14 - 3364/3.6=4, 7473/4.6=2...(5) Peak 7488 from nnoeabs.peaks (1.79, 7.90, 117.67 ppm; 3.77 A): 2 out of 5 assignments used, quality = 0.97: * HB3 LEU 103 + H GLN 104 OK 92 100 - 92 - 4.6=55, 1.8/7487=28...(13) HB3 LEU 122 + H GLN 104 OK 57 100 - 58 - 11431/3.0=10, 3.0/7484=9...(15) HB2 LYS 86 - H GLN 104 OK 12 99 - 12 - 3365/3.6=3, 3374/4.6=2...(5) HB3 LEU 98 - H GLN 104 OK 10 73 - 14 - 3.0/7482=4, 3167/3.6=3...(5) HB3 LEU 123 - H GLN 104 lone 1 31 - 2 - Peak 7489 from nnoeabs.peaks (1.56, 7.90, 117.67 ppm; 3.76 A): 2 out of 2 assignments used, quality = 0.86: * HG LEU 103 + H GLN 104 OK 78 100 - 78 - 2.1/7491=30, 3.0/7487=21...(10) HG13 ILE 37 + H GLN 104 OK 35 92 - 39 - 3366/3.6=10, 3375/4.6=8...(8) Peak 7490 from nnoeabs.peaks (0.78, 7.90, 117.67 ppm; 3.68 A): 3 out of 5 assignments used, quality = 0.96: * QD1 LEU 103 + H GLN 104 OK 85 100 - 85 - 2.1/7491=29, 2.1/7489=23...(18) QG1 VAL 63 + H GLN 104 OK 54 100 - 54 - 9400/5.0=11...(14) QD2 LEU 122 + H GLN 104 OK 46 92 - 50 - ~11433=10, 3.1/7488=9...(15) QD1 ILE 37 - H GLN 104 OK 36 98 - 36 - 2.1/7489=10, 3367/3.6=6...(11) QD1 ILE 32 - H GLN 104 OK 13 92 - 14 - 11436/3.9=2, 11441/5.0=2...(4) Peak 7491 from nnoeabs.peaks (0.74, 7.90, 117.67 ppm; 3.79 A): 1 out of 4 assignments used, quality = 0.81: * QD2 LEU 103 + H GLN 104 OK 81 100 - 81 - 2.1/7489=24, 3368/3.6=23...(13) QD2 LEU 96 - H GLN 104 lone 7 73 - 9 - 3368/3.6=2, 7477/4.6=2...(4) HG12 ILE 129 - H GLN 104 lone 3 65 - 5 - 7477/4.6=2, 3368/3.6=1 QG1 VAL 93 - H GLN 104 lone 2 65 - 3 - Peak 7492 from nnoeabs.peaks (4.09, 7.90, 117.67 ppm; 3.05 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 104 + H GLN 104 OK 100 100 - 100 - 3.0=100 HA PHE 89 - H GLN 104 OK 23 98 - 23 - 3433/3.9=4, 3423/3.9=4...(11) Peak 7493 from nnoeabs.peaks (2.19, 7.90, 117.67 ppm; 2.92 A): 2 out of 2 assignments used, quality = 0.82: * HB2 GLN 104 + H GLN 104 OK 77 100 - 78 - 3.9=42, 3.0/7496=15...(12) HB VAL 133 + H GLN 104 OK 19 100 - 18 - 3414/3.0=5, 3434/3.9=4...(7) Peak 7494 from nnoeabs.peaks (2.22, 7.90, 117.67 ppm; 3.03 A): 4 out of 8 assignments used, quality = 0.93: * HB3 GLN 104 + H GLN 104 OK 84 100 - 84 - 3.9=47, 1.8/7493=29...(15) HB3 GLU 128 + H GLN 104 OK 31 98 - 32 - 11624/10070=5...(12) HB3 GLU 102 + H GLN 104 OK 31 81 - 38 - 3.8/7483=18, 3.0/7484=13...(5) HB3 GLU 97 + H GLN 104 OK 11 87 - 12 - 11364/4.6=6...(4) HB3 GLN 127 - H GLN 104 lone 8 96 - 9 - HB2 GLN 68 - H GLN 104 lone 8 98 - 8 - 3415/3.0=2, 3425/3.9=1 HG2 GLU 91 - H GLN 104 lone 3 92 - 3 - HG2 GLN 68 - H GLN 104 lone 3 65 - 4 - Peak 7495 from nnoeabs.peaks (2.38, 7.90, 117.67 ppm; 3.71 A): 2 out of 2 assignments used, quality = 0.95: * HG2 GLN 104 + H GLN 104 OK 92 100 - 93 - 5.0=41, 1.8/7496=32...(16) HG2 GLU 128 + H GLN 104 OK 30 81 - 37 - 3416/3.0=8, 3436/3.9=7...(9) Peak 7496 from nnoeabs.peaks (2.47, 7.90, 117.67 ppm; 3.39 A): 2 out of 3 assignments used, quality = 0.89: * HG3 GLN 104 + H GLN 104 OK 87 100 - 87 - 5.0=31, 3.0/7493=24...(15) HG2 GLU 55 + H GLN 104 OK 14 81 - 17 - 9287/4.6=6, 3417/3.0=3...(6) HG2 MET 11 - H GLN 104 poor 8 81 - 10 - 3417/3.0=2, 3427/3.9=2...(4) Peak 7499 from nnoeabs.peaks (7.62, 7.90, 117.67 ppm; 3.31 A): 1 out of 1 assignment used, quality = 0.85: * H VAL 105 + H GLN 104 OK 85 100 - 85 - 4.7=36, 7522/3.0=20...(14) Peak 7500 from nnoeabs.peaks (6.96, 6.96, 111.83 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 104 + HE21 GLN 104 OK 100 100 - 100 Peak 7501 from nnoeabs.peaks (7.90, 6.96, 111.83 ppm; 5.63 A): 2 out of 4 assignments used, quality = 1.00: * H GLN 104 + HE21 GLN 104 OK 99 100 - 99 - 6.4=68, 3.0/3418=44...(17) H SER 106 + HE21 GLN 104 OK 59 99 - 60 - 3441/3.5=16, 3450/3.5=14...(8) H ALA 41 - HE21 GLN 104 OK 21 92 - 22 - 7509/1.7=5, 3450/3.5=4...(6) H THR 115 - HE21 GLN 104 poor 10 73 - 13 - 7509/1.7=4, 3441/3.5=2...(6) Peak 7502 from nnoeabs.peaks (4.09, 6.96, 111.83 ppm; 4.16 A): 1 out of 2 assignments used, quality = 0.96: * HA GLN 104 + HE21 GLN 104 OK 96 100 - 96 - 3418=44, 7510/1.7=29...(20) HA PHE 89 - HE21 GLN 104 OK 40 98 - 40 - 7510/1.7=13, 3451/3.5=9...(7) Peak 7503 from nnoeabs.peaks (2.19, 6.96, 111.83 ppm; 4.08 A): 1 out of 2 assignments used, quality = 0.99: * HB2 GLN 104 + HE21 GLN 104 OK 99 100 - 99 - 4.5=72, 7511/1.7=31...(19) HB VAL 133 - HE21 GLN 104 OK 36 100 - 35 - 7511/1.7=11, 3452/3.5=8...(7) Peak 7504 from nnoeabs.peaks (2.22, 6.96, 111.83 ppm; 4.18 A): 2 out of 8 assignments used, quality = 1.00: * HB3 GLN 104 + HE21 GLN 104 OK 99 100 - 99 - 4.5=77, 1.8/7503=29...(20) HB3 GLU 128 + HE21 GLN 104 OK 52 98 - 53 - 4100/3.5=11, 7512/1.7=10...(13) HB2 GLN 68 - HE21 GLN 104 OK 14 98 - 14 - 7512/1.7=3, 3453/3.5=2...(6) HB3 GLN 127 - HE21 GLN 104 OK 10 96 - 11 - 7512/1.7=2, 3444/3.5=2...(4) HB3 GLU 102 - HE21 GLN 104 poor 8 81 - 10 - 7494/6.4=2, 7512/1.7=2...(6) HG2 GLN 68 - HE21 GLN 104 lone 6 65 - 10 - ~7512=1, 7512/1.7=1...(4) HB3 GLU 97 - HE21 GLN 104 lone 6 87 - 7 - 7512/1.7=1, 3425/4.5=1...(4) HG2 GLU 91 - HE21 GLN 104 lone 4 92 - 5 - Peak 7505 from nnoeabs.peaks (2.38, 6.96, 111.83 ppm; 3.66 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLN 104 + HE21 GLN 104 OK 100 100 - 100 - 3.5=100 HG2 GLU 128 - HE21 GLN 104 OK 36 81 - 44 - 7513/1.7=10, 3454/3.5=6...(13) Peak 7506 from nnoeabs.peaks (2.47, 6.96, 111.83 ppm; 3.58 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLN 104 + HE21 GLN 104 OK 100 100 - 100 - 3.5=100 HG2 GLU 55 - HE21 GLN 104 OK 12 81 - 15 - 7514/1.7=4, 3427/4.5=2...(6) HG2 MET 11 - HE21 GLN 104 OK 11 81 - 13 - 7514/1.7=3, 3427/4.5=2...(5) Peak 7507 from nnoeabs.peaks (7.43, 6.96, 111.83 ppm; 2.50 A): 1 out of 3 assignments used, quality = 1.00: * HE22 GLN 104 + HE21 GLN 104 OK 100 100 - 100 - 1.7=100 H LEU 62 - HE21 GLN 104 OK 10 87 - 12 - 6783/1.7=4, 3457/3.5=2...(5) H GLN 61 - HE21 GLN 104 lone 8 81 - 9 - 6761/1.7=3, ~1921=2...(5) Peak 7508 from nnoeabs.peaks (7.43, 7.43, 111.83 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 104 + HE22 GLN 104 OK 100 100 - 100 Peak 7509 from nnoeabs.peaks (7.90, 7.43, 111.83 ppm; 5.10 A): 2 out of 4 assignments used, quality = 0.99: * H GLN 104 + HE22 GLN 104 OK 98 100 - 98 - 6.4=50, 7496/3.5=35...(19) H SER 106 + HE22 GLN 104 OK 55 99 - 56 - 3441/3.5=14, 3450/3.5=13...(10) H ALA 41 - HE22 GLN 104 OK 19 92 - 20 - 7501/1.7=4, 3450/3.5=3...(6) H THR 115 - HE22 GLN 104 OK 14 73 - 19 - 4.6/11430=9, 7501/1.7=2...(6) Peak 7510 from nnoeabs.peaks (4.09, 7.43, 111.83 ppm; 3.85 A): 2 out of 2 assignments used, quality = 0.96: * HA GLN 104 + HE22 GLN 104 OK 93 100 - 93 - 5.5=33, 3418/1.7=30...(19) HA PHE 89 + HE22 GLN 104 OK 40 98 - 41 - 7502/1.7=10, 3.6/11430=9...(8) Peak 7511 from nnoeabs.peaks (2.19, 7.43, 111.83 ppm; 3.80 A): 1 out of 2 assignments used, quality = 0.96: * HB2 GLN 104 + HE22 GLN 104 OK 96 100 - 96 - 4.5=58, 3.0/7514=27...(18) HB VAL 133 - HE22 GLN 104 OK 33 100 - 33 - 7503/1.7=9, 3452/3.5=7...(8) Peak 7512 from nnoeabs.peaks (2.22, 7.43, 111.83 ppm; 3.88 A): 2 out of 8 assignments used, quality = 0.99: * HB3 GLN 104 + HE22 GLN 104 OK 97 100 - 97 - 4.5=62, 1.8/7511=28...(19) HB3 GLU 128 + HE22 GLN 104 OK 47 98 - 48 - 4100/3.5=9, 7504/1.7=9...(13) HB2 GLN 68 - HE22 GLN 104 OK 12 98 - 12 - 7504/1.7=2, 3453/3.5=2...(6) HB3 GLN 127 - HE22 GLN 104 OK 10 96 - 11 - 7504/1.7=2, 3444/3.5=2...(4) HB3 GLU 102 - HE22 GLN 104 lone 7 81 - 9 - 7494/6.4=2, 7504/1.7=1...(6) HB3 GLU 97 - HE22 GLN 104 lone 6 87 - 7 - 3425/4.5=1, 7504/1.7=1 HG2 GLN 68 - HE22 GLN 104 lone 5 65 - 8 - ~7504=1, 7504/1.7=1, 3453/3.5=1 HG2 GLU 91 - HE22 GLN 104 lone 4 92 - 4 - Peak 7513 from nnoeabs.peaks (2.38, 7.43, 111.83 ppm; 3.34 A): 1 out of 2 assignments used, quality = 0.97: * HG2 GLN 104 + HE22 GLN 104 OK 97 100 - 97 - 3.5=87, 1.8/7514=30...(15) HG2 GLU 128 - HE22 GLN 104 OK 31 81 - 38 - 7505/1.7=8, 3454/3.5=5...(13) Peak 7514 from nnoeabs.peaks (2.47, 7.43, 111.83 ppm; 3.27 A): 1 out of 3 assignments used, quality = 0.94: * HG3 GLN 104 + HE22 GLN 104 OK 94 100 - 94 - 3.5=82, 1.8/7513=26...(14) HG2 GLU 55 - HE22 GLN 104 poor 10 81 - 12 - 7506/1.7=3, 3446/3.5=2...(5) HG2 MET 11 - HE22 GLN 104 poor 9 81 - 11 - 7506/1.7=3, 3427/4.5=2...(5) Peak 7515 from nnoeabs.peaks (6.96, 7.43, 111.83 ppm; 2.50 A): 1 out of 2 assignments used, quality = 1.00: * HE21 GLN 104 + HE22 GLN 104 OK 100 100 - 100 - 1.7=100 H ILE 80 - HE22 GLN 104 lone 1 65 - 2 - Peak 7516 from nnoeabs.peaks (7.62, 7.62, 114.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 105 + H VAL 105 OK 100 100 - 100 Peak 7517 from nnoeabs.peaks (4.10, 7.62, 114.95 ppm; 3.91 A): 1 out of 6 assignments used, quality = 0.53: * HA GLN 101 + H VAL 105 OK 53 100 - 53 - 3283/4.4=21, 3431/4.4=14...(6) HA LEU 98 - H VAL 105 lone 8 98 - 9 - 7482/4.7=3, 3431/4.4=2...(4) HA LEU 49 - H VAL 105 lone 8 96 - 8 - 7482/4.7=3, 3431/4.4=3 HA CYS 79 - H VAL 105 lone 4 98 - 4 - 3421/4.4=1, 3431/4.4=1 HA ILE 32 - H VAL 105 lone 4 87 - 4 - 3431/4.4=1, 3421/4.4=1 HA LEU 48 - H VAL 105 lone 3 87 - 4 - 3431/4.4=1, 7482/4.7=1 Peak 7518 from nnoeabs.peaks (4.05, 7.62, 114.95 ppm; 3.64 A): 2 out of 5 assignments used, quality = 0.65: * HA GLU 102 + H VAL 105 OK 57 100 - 58 - 3330=17, 3331/4.0=15...(8) HA LEU 122 + H VAL 105 OK 17 100 - 17 - 7484/4.7=5, 3465/4.0=4...(5) HA ALA 92 - H VAL 105 lone 6 98 - 6 - 7484/4.7=2, 10086/4.0=1 HA LEU 96 - H VAL 105 lone 6 65 - 8 - 10086/4.0=3, 3465/4.0=2 HA GLU 44 - H VAL 105 lone 4 99 - 4 - 7484/4.7=1 Peak 7519 from nnoeabs.peaks (8.08, 7.62, 114.95 ppm; 4.90 A): 4 out of 5 assignments used, quality = 0.89: * H LEU 103 + H VAL 105 OK 81 100 - 81 - 4.6/7499=34, 3.0/7520=31...(9) HD22 ASN 85 + H VAL 105 OK 24 100 - 24 - 9804/4.4=13, 7485/4.7=4...(5) H ALA 108 + H VAL 105 OK 17 100 - 17 - 7485/4.7=5, 11454/3.0=5...(5) H ALA 109 + H VAL 105 OK 12 100 - 12 - 11454/3.0=5, ~10081=2...(4) H ASN 120 - H VAL 105 lone 6 92 - 6 - 7485/4.7=2, 3362/7520=2 Peak 7520 from nnoeabs.peaks (4.02, 7.62, 114.95 ppm; 4.22 A): 1 out of 7 assignments used, quality = 0.64: * HA LEU 103 + H VAL 105 OK 64 100 - 64 - 3.6/7499=34...(5) HA ILE 37 - H VAL 105 lone 5 96 - 6 - 7486/4.7=4, 7472/7519=1 HA LYS 95 - H VAL 105 lone 4 98 - 4 - 4.9/7518=1, 7486/4.7=1 HB2 SER 38 - H VAL 105 lone 3 99 - 3 - 7486/4.7=2 HA LEU 119 - H VAL 105 lone 2 65 - 3 - HA ARG 135 - H VAL 105 lone 2 100 - 2 - HA SER 60 - H VAL 105 lone 1 81 - 1 - Peak 7521 from nnoeabs.peaks (7.90, 7.62, 114.95 ppm; 3.03 A): 2 out of 4 assignments used, quality = 0.95: * H GLN 104 + H VAL 105 OK 81 100 - 81 - 7499=39, 3.0/7522=17...(14) H SER 106 + H VAL 105 OK 76 99 - 76 - 7535=43, 7536/3.0=18...(12) H ALA 41 - H VAL 105 lone 8 92 - 8 - 3412/3.6=1, 3432/4.4=1 H THR 115 - H VAL 105 lone 4 73 - 5 - Peak 7522 from nnoeabs.peaks (4.09, 7.62, 114.95 ppm; 3.54 A): 1 out of 2 assignments used, quality = 0.99: * HA GLN 104 + H VAL 105 OK 99 100 - 99 - 3.6=98, 3.0/7499=30...(8) HA PHE 89 - H VAL 105 OK 20 98 - 20 - 3433/4.4=5, 3423/4.4=5...(5) Peak 7523 from nnoeabs.peaks (2.19, 7.62, 114.95 ppm; 3.51 A): 2 out of 2 assignments used, quality = 0.90: * HB2 GLN 104 + H VAL 105 OK 88 100 - 88 - 4.4=52, 1.8/3440=25...(9) HB VAL 133 + H VAL 105 OK 21 100 - 21 - 3414/3.6=6, 3434/4.4=4...(5) Peak 7524 from nnoeabs.peaks (2.22, 7.62, 114.95 ppm; 3.34 A): 3 out of 8 assignments used, quality = 0.92: * HB3 GLN 104 + H VAL 105 OK 83 100 - 83 - 4.4=44, 1.8/7523=27...(8) HB3 GLU 128 + H VAL 105 OK 43 98 - 44 - 11624/4.0=13, 4097/3.0=6...(12) HB3 GLU 102 + H VAL 105 OK 22 81 - 27 - 3.0/7518=15, 4.6/7519=6...(4) HB2 GLN 68 - H VAL 105 lone 7 98 - 7 - 3415/3.6=2, 3425/4.4=1 HB3 GLU 97 - H VAL 105 lone 7 87 - 8 - 2.9/7530=2, 3284/7517=1 HB3 GLN 127 - H VAL 105 lone 5 96 - 6 - HG2 GLU 91 - H VAL 105 lone 3 92 - 3 - HG2 GLN 68 - H VAL 105 lone 2 65 - 4 - Peak 7525 from nnoeabs.peaks (2.38, 7.62, 114.95 ppm; 4.73 A): 2 out of 2 assignments used, quality = 0.99: * HG2 GLN 104 + H VAL 105 OK 99 100 - 99 - 5.0=86, 1.8/3458=39...(9) HG2 GLU 128 + H VAL 105 OK 48 81 - 59 - 3.0/7524=11, 3436/4.4=10...(11) Peak 7526 from nnoeabs.peaks (2.47, 7.62, 114.95 ppm; 5.07 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLN 104 + H VAL 105 OK 100 100 - 100 - 5.0=100 HG2 GLU 55 - H VAL 105 OK 17 81 - 20 - 3417/3.6=5, 3427/4.4=5...(5) HG2 MET 11 - H VAL 105 OK 14 81 - 16 - 3417/3.6=4, 3427/4.4=4...(5) Peak 7529 from nnoeabs.peaks (4.19, 7.62, 114.95 ppm; 3.53 A): 1 out of 3 assignments used, quality = 1.00: * HA VAL 105 + H VAL 105 OK 100 100 - 100 - 3.0=100 HA GLU 128 - H VAL 105 OK 28 87 - 32 - 3.0/7524=7, 3.9/7525=5...(11) HB THR 18 - H VAL 105 lone 5 98 - 4 - Peak 7530 from nnoeabs.peaks (2.26, 7.62, 114.95 ppm; 3.21 A): 1 out of 4 assignments used, quality = 0.89: * HB VAL 105 + H VAL 105 OK 89 100 - 89 - 4.0=53, 2.1/3478=34...(10) HG2 GLU 97 - H VAL 105 lone 6 87 - 7 - 3461/3.0=2, 7537/4.7=1 HB3 PRO 113 - H VAL 105 lone 2 65 - 2 - HB2 PRO 81 - H VAL 105 lone 1 57 - 2 - Peak 7531 from nnoeabs.peaks (0.96, 7.62, 114.95 ppm; 3.15 A): 3 out of 5 assignments used, quality = 0.91: * QG1 VAL 105 + H VAL 105 OK 88 100 - 88 - 3.9=51, 2.1/3478=34...(9) QG1 VAL 126 + H VAL 105 OK 19 98 - 19 - 11620/4.4=5, 3462/3.0=4...(7) QG2 VAL 126 + H VAL 105 OK 11 96 - 11 - 3462/3.0=4, 3469/4.0=2...(5) QD2 LEU 53 - H VAL 105 lone 1 81 - 2 - QG1 VAL 112 - H VAL 105 lone 1 73 - 1 - Peak 7532 from nnoeabs.peaks (1.00, 7.62, 114.95 ppm; 2.95 A): 2 out of 3 assignments used, quality = 0.87: * QG2 VAL 105 + H VAL 105 OK 86 100 - 86 - 3478=48, 2.1/7530=24...(11) QG2 VAL 118 + H VAL 105 OK 12 87 - 14 - 10278/4.7=4, 11545/4.4=3...(6) QD1 LEU 69 - H VAL 105 lone 5 92 - 5 - 3463/3.0=2, 3470/4.0=1 Peak 7533 from nnoeabs.peaks (7.90, 7.62, 114.95 ppm; 2.99 A): 2 out of 4 assignments used, quality = 0.95: H GLN 104 + H VAL 105 OK 79 99 - 80 - 7499=36, 3.0/7522=16...(14) * H SER 106 + H VAL 105 OK 75 100 - 75 - 7535=42, 7536/3.0=17...(11) H ALA 41 - H VAL 105 lone 6 81 - 8 - 3412/3.6=1 H THR 115 - H VAL 105 lone 5 87 - 5 - Peak 7534 from nnoeabs.peaks (7.90, 7.90, 116.86 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H SER 106 + H SER 106 OK 100 100 - 100 Peak 7535 from nnoeabs.peaks (7.62, 7.90, 116.86 ppm; 3.18 A): 1 out of 1 assignment used, quality = 0.74: * H VAL 105 + H SER 106 OK 74 100 - 74 - 4.7=32, 3.0/7536=20...(13) Peak 7536 from nnoeabs.peaks (4.19, 7.90, 116.86 ppm; 3.44 A): 1 out of 3 assignments used, quality = 0.97: * HA VAL 105 + H SER 106 OK 97 100 - 97 - 3.6=90, 3.0/7535=29...(8) HA GLU 128 - H SER 106 OK 12 87 - 14 - 3467/4.4=3, 3473/4.4=3...(4) HB THR 18 - H SER 106 lone 4 98 - 3 - Peak 7537 from nnoeabs.peaks (2.26, 7.90, 116.86 ppm; 3.54 A): 2 out of 4 assignments used, quality = 0.89: * HB VAL 105 + H SER 106 OK 87 100 - 87 - 4.4=51, 2.1/7538=26...(7) HG2 GLU 97 + H SER 106 OK 11 87 - 12 - 10093/2.9=6, 3461/3.6=2...(5) HB2 PRO 81 - H SER 106 lone 4 57 - 6 - 10091/4.0=4 HB3 PRO 113 - H SER 106 lone 3 65 - 4 - 10093/2.9=1 Peak 7538 from nnoeabs.peaks (0.96, 7.90, 116.86 ppm; 3.48 A): 3 out of 5 assignments used, quality = 0.91: * QG1 VAL 105 + H SER 106 OK 88 100 - 88 - 4.4=51, 2.1/7537=27...(9) QG1 VAL 126 + H SER 106 OK 14 98 - 15 - 3462/3.6=4, 3481/4.3=3...(4) QG2 VAL 126 + H SER 106 OK 10 96 - 11 - 3462/3.6=4, 3481/4.3=3...(4) QD2 LEU 53 - H SER 106 lone 1 81 - 2 - QG1 VAL 112 - H SER 106 lone 1 73 - 2 - Peak 7539 from nnoeabs.peaks (1.00, 7.90, 116.86 ppm; 3.40 A): 2 out of 3 assignments used, quality = 0.91: * QG2 VAL 105 + H SER 106 OK 89 100 - 89 - 4.3=49, 2.1/7537=26...(11) QG2 VAL 118 + H SER 106 OK 24 87 - 27 - 10278=5, ~11467=4...(11) QD1 LEU 69 - H SER 106 lone 8 92 - 9 - 3463/3.6=2, 11466/2.9=2...(5) Peak 7540 from nnoeabs.peaks (4.46, 7.90, 116.86 ppm; 3.35 A): 1 out of 4 assignments used, quality = 1.00: * HA SER 106 + H SER 106 OK 100 100 - 100 - 2.9=100 HA ASP 64 - H SER 106 OK 10 100 - 10 - 4.9/7542=2, 3490/4.0=2 HA PRO 58 - H SER 106 lone 5 96 - 5 - ~1840=1, ~1848=1 HB THR 54 - H SER 106 lone 1 92 - 1 - Peak 7541 from nnoeabs.peaks (3.97, 7.90, 116.86 ppm; 3.03 A): 4 out of 8 assignments used, quality = 0.87: * HB2 SER 106 + H SER 106 OK 77 100 - 77 - 4.0=42, 1.8/3494=24...(7) HB3 SER 107 + H SER 106 OK 21 87 - 24 - 4.1/7543=12, 10105/4.3=5...(5) HA THR 65 + H SER 106 OK 20 96 - 20 - 3.0/11781=14, 3486/2.9=2...(4) HA LEU 100 + H SER 106 OK 12 92 - 13 - ~11465=3, 4.9/3282=2...(5) HA GLN 127 - H SER 106 lone 5 98 - 5 - 4.9/7536=1 HA2 GLY 17 - H SER 106 lone 2 92 - 2 - HA3 GLY 17 - H SER 106 lone 2 92 - 2 - HB3 SER 94 - H SER 106 lone 1 87 - 2 - Peak 7542 from nnoeabs.peaks (3.98, 7.90, 116.86 ppm; 3.03 A): 2 out of 6 assignments used, quality = 0.81: * HB3 SER 106 + H SER 106 OK 78 100 - 78 - 4.0=42, 1.8/3489=23...(7) HA THR 65 + H SER 106 OK 15 73 - 20 - 3.0/11781=14, 3487/2.9=2...(4) HA GLN 127 - H SER 106 lone 2 65 - 4 - 4.9/7536=1 HB3 SER 51 - H SER 106 lone 2 98 - 2 - HA GLU 91 - H SER 106 lone 2 99 - 2 - HB3 SER 94 - H SER 106 lone 2 87 - 2 - Peak 7543 from nnoeabs.peaks (8.23, 7.90, 116.86 ppm; 3.58 A): 1 out of 3 assignments used, quality = 0.78: * H SER 107 + H SER 106 OK 78 100 - 78 - 4.6=47, 7546/2.9=30...(7) H SER 33 - H SER 106 lone 8 99 - 8 - 3488/2.9=2, 3498/4.0=2 H LYS 31 - H SER 106 lone 7 100 - 7 - 3488/2.9=2, 3498/4.0=2 Peak 7544 from nnoeabs.peaks (8.23, 8.23, 117.55 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H SER 107 + H SER 107 OK 100 100 - 100 Peak 7545 from nnoeabs.peaks (7.90, 8.23, 117.55 ppm; 3.59 A): 2 out of 4 assignments used, quality = 0.83: * H SER 106 + H SER 107 OK 78 100 - 78 - 4.6=47, 2.9/7546=30...(7) H GLN 104 + H SER 107 OK 22 99 - 22 - 3484/3.6=5, 3489/4.5=4...(7) H THR 115 - H SER 107 lone 5 87 - 5 - 10166/10102=3 H ALA 41 - H SER 107 lone 2 81 - 2 - Peak 7546 from nnoeabs.peaks (4.46, 8.23, 117.55 ppm; 3.10 A): 1 out of 4 assignments used, quality = 0.82: * HA SER 106 + H SER 107 OK 82 100 - 82 - 3.6=65, 3.0/7548=19...(6) HA ASP 64 - H SER 107 lone 4 100 - 4 - 7540/4.6=1, 3490/4.5=1 HA PRO 58 - H SER 107 lone 2 96 - 2 - HB THR 54 - H SER 107 lone 1 92 - 1 - Peak 7547 from nnoeabs.peaks (3.97, 8.23, 117.55 ppm; 3.27 A): 2 out of 8 assignments used, quality = 0.91: * HB2 SER 106 + H SER 107 OK 72 100 - 72 - 4.5=39, 3.0/7546=24...(7) HB3 SER 107 + H SER 107 OK 69 87 - 79 - 4.1=52, 1.8/7550=30...(8) HA LEU 100 - H SER 107 lone 9 92 - 9 - 3486/3.6=2, 10046/4.6=2...(4) HA THR 65 - H SER 107 lone 7 96 - 7 - 3486/3.6=2, 7541/4.6=2 HA GLN 127 - H SER 107 lone 5 98 - 5 - 11611/10102=2 HA2 GLY 17 - H SER 107 lone 3 92 - 4 - 3507/4.1=1 HA3 GLY 17 - H SER 107 lone 3 92 - 4 - 3507/4.1=1 HB3 SER 94 - H SER 107 lone 1 87 - 2 - Peak 7548 from nnoeabs.peaks (3.98, 8.23, 117.55 ppm; 3.27 A): 1 out of 6 assignments used, quality = 0.72: * HB3 SER 106 + H SER 107 OK 72 100 - 72 - 4.5=39, 1.8/3493=24...(6) HA THR 65 - H SER 107 lone 5 73 - 7 - 7542/4.6=2, 3487/3.6=2 HA GLN 127 - H SER 107 lone 2 65 - 3 - HB3 SER 94 - H SER 107 lone 2 87 - 2 - HA GLU 91 - H SER 107 lone 2 99 - 2 - HB3 SER 51 - H SER 107 lone 2 98 - 2 - Peak 7549 from nnoeabs.peaks (4.39, 8.23, 117.55 ppm; 3.18 A): 1 out of 5 assignments used, quality = 1.00: * HA SER 107 + H SER 107 OK 100 100 - 100 - 3.0=100 HA SER 33 - H SER 107 OK 11 65 - 17 - 3.0/945=3, 3.0/940=2...(7) HA CYS 73 - H SER 107 lone 5 98 - 5 - HA ASP 78 - H SER 107 lone 2 96 - 2 - HA SER 9 - H SER 107 lone 1 87 - 2 - Peak 7550 from nnoeabs.peaks (3.92, 8.23, 117.55 ppm; 3.41 A): 1 out of 4 assignments used, quality = 0.82: * HB2 SER 107 + H SER 107 OK 82 100 - 82 - 4.1=59, 3501/3.0=29...(6) HA3 GLY 14 - H SER 107 lone 4 98 - 3 - HA2 GLY 14 - H SER 107 lone 3 96 - 3 - HA2 GLY 111 - H SER 107 lone 1 65 - 2 - Peak 7551 from nnoeabs.peaks (3.96, 8.23, 117.55 ppm; 3.23 A): 2 out of 7 assignments used, quality = 0.92: * HB3 SER 107 + H SER 107 OK 78 100 - 78 - 4.1=50, 1.8/7550=29...(8) HB2 SER 106 + H SER 107 OK 62 87 - 71 - 4.5=37, 3.0/7546=24...(7) HA LEU 100 - H SER 107 lone 10 100 - 10 - 10046/4.6=2, 7557/4.3=2...(4) HA2 GLY 17 - H SER 107 lone 4 100 - 4 - 3507/4.1=1 HA3 GLY 17 - H SER 107 lone 4 100 - 4 - 3507/4.1=1 HA GLN 127 - H SER 107 lone 2 65 - 4 - HD3 PRO 117 - H SER 107 lone 1 73 - 2 - Peak 7552 from nnoeabs.peaks (8.08, 8.23, 117.55 ppm; 3.43 A): 3 out of 5 assignments used, quality = 0.86: * H ALA 108 + H SER 107 OK 76 100 - 76 - 4.3=50, 7555/3.0=26...(7) H ALA 109 + H SER 107 OK 31 99 - 31 - 4.6/7554=13, 3503/3.0=6...(7) H LEU 103 + H SER 107 OK 17 100 - 17 - 7478/4.6=5, 7463/4.1=4...(5) H ASN 120 - H SER 107 lone 5 96 - 5 - 7668/10102=2 HD22 ASN 85 - H SER 107 lone 3 100 - 3 - Peak 7553 from nnoeabs.peaks (8.08, 8.08, 124.88 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 108 + H ALA 108 OK 100 100 - 100 Peak 7554 from nnoeabs.peaks (8.23, 8.08, 124.88 ppm; 3.28 A): 3 out of 3 assignments used, quality = 0.77: * H SER 107 + H ALA 108 OK 72 100 - 72 - 4.3=44, 3.0/7555=24...(8) H SER 33 + H ALA 108 OK 11 99 - 11 - 3499/3.6=4, 3504/4.7=3...(4) H LYS 31 + H ALA 108 OK 11 100 - 10 - 3499/3.6=2, 3504/4.7=2...(6) Peak 7555 from nnoeabs.peaks (4.39, 8.08, 124.88 ppm; 3.16 A): 1 out of 5 assignments used, quality = 0.85: * HA SER 107 + H ALA 108 OK 85 100 - 85 - 3.6=69, 3.0/7554=18...(8) HA SER 33 - H ALA 108 lone 5 65 - 7 - 3.0/7554=3, 7549/4.3=1...(4) HA CYS 73 - H ALA 108 lone 2 98 - 2 - HA ASP 78 - H ALA 108 lone 1 96 - 1 - HA SER 9 - H ALA 108 lone 1 87 - 1 - Peak 7556 from nnoeabs.peaks (3.92, 8.08, 124.88 ppm; 3.80 A): 1 out of 4 assignments used, quality = 0.83: * HB2 SER 107 + H ALA 108 OK 83 100 - 83 - 4.7=55, 3.0/7555=31...(6) HA2 GLY 111 - H ALA 108 lone 6 65 - 9 - 4.8/7559=2, ~7578=2, ~10117=2 HA3 GLY 14 - H ALA 108 lone 5 98 - 5 - HA2 GLY 14 - H ALA 108 lone 5 96 - 5 - Peak 7557 from nnoeabs.peaks (3.96, 8.08, 124.88 ppm; 3.61 A): 3 out of 7 assignments used, quality = 0.87: * HB3 SER 107 + H ALA 108 OK 80 100 - 80 - 4.7=47, 1.8/7556=28...(6) HB2 SER 106 + H ALA 108 OK 23 87 - 26 - 4.5/7554=15, 3502/3.6=6...(5) HA LEU 100 + H ALA 108 OK 16 100 - 16 - 3228=3, 3.6/7424=3...(7) HA2 GLY 17 - H ALA 108 lone 5 100 - 5 - 3507/4.7=1 HA3 GLY 17 - H ALA 108 lone 5 100 - 5 - 3507/4.7=1 HD3 PRO 117 - H ALA 108 lone 2 73 - 3 - HA GLN 127 - H ALA 108 lone 1 65 - 2 - Peak 7558 from nnoeabs.peaks (4.28, 8.08, 124.88 ppm; 3.12 A): 1 out of 14 assignments used, quality = 1.00: * HA ALA 108 + H ALA 108 OK 100 100 - 100 - 3.0=100 HA ALA 109 - H ALA 108 OK 39 100 - 39 - 2.1/3526=9, 3522=9...(13) HA ALA 110 - H ALA 108 OK 11 81 - 14 - 2.1/7559=4, 7563/4.6=2...(4) HA ALA 16 - H ALA 108 lone 9 100 - 9 - 10676/4.7=5 HA LYS 31 - H ALA 108 lone 8 100 - 8 - 3.0/7554=3, 788/4.3=2, 793/2.9=1 HB THR 115 - H ALA 108 lone 6 98 - 6 - 2.1/11483=3, 10191/2.9=1 HA LYS 36 - H ALA 108 lone 3 99 - 3 - HA ALA 15 - H ALA 108 lone 2 73 - 3 - HA LEU 22 - H ALA 108 lone 1 100 - 1 - HA GLN 61 - H ALA 108 lone 1 96 - 1 - HA LYS 26 - H ALA 108 lone 1 73 - 1 - HA ARG 23 - H ALA 108 lone 1 65 - 1 - HA LYS 19 - H ALA 108 lone 0 57 - 1 - HA ALA 12 - H ALA 108 lone 0 73 - 0 - Peak 7559 from nnoeabs.peaks (1.38, 8.08, 124.88 ppm; 2.66 A): 3 out of 15 assignments used, quality = 0.88: * QB ALA 108 + H ALA 108 OK 79 100 - 79 - 2.9=76, 7564/4.6=3...(7) QB ALA 109 + H ALA 108 OK 31 96 - 33 - 3526=8, 2.1/3522=5...(14) QB ALA 110 + H ALA 108 OK 15 99 - 16 - 3518=4, 4.7/3526=3...(5) HG3 LYS 31 - H ALA 108 lone 5 87 - 6 - 10112/3.6=1, 832/4.3=1 HB3 LEU 100 - H ALA 108 lone 4 92 - 5 - 3.0/7557=2, 4.6/7424=1 QB ALA 15 - H ALA 108 lone 4 99 - 4 - HG2 LYS 36 - H ALA 108 lone 3 96 - 3 - QB ALA 28 - H ALA 108 lone 1 100 - 1 - HB2 LEU 96 - H ALA 108 lone 1 96 - 1 - HG3 LYS 26 - H ALA 108 lone 1 98 - 1 - HG2 LYS 95 - H ALA 108 lone 1 98 - 1 - HG3 LYS 95 - H ALA 108 lone 1 100 - 1 - QB ALA 29 - H ALA 108 lone 1 96 - 1 - HB2 LEU 42 - H ALA 108 lone 1 87 - 1 - HG2 LYS 24 - H ALA 108 lone 1 92 - 1 - Peak 7560 from nnoeabs.peaks (8.08, 8.08, 124.88 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: H ALA 108 + H ALA 108 OK 99 99 - 100 Reference assignment not found: H ALA 109 - H ALA 108 Peak 7561 from nnoeabs.peaks (8.08, 8.08, 123.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 109 + H ALA 109 OK 100 100 - 100 Peak 7562 from nnoeabs.peaks (8.08, 8.08, 123.00 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: H ALA 109 + H ALA 109 OK 99 99 - 100 Reference assignment not found: H ALA 108 - H ALA 109 Peak 7563 from nnoeabs.peaks (4.28, 8.08, 123.00 ppm; 3.27 A): 2 out of 14 assignments used, quality = 1.00: HA ALA 109 + H ALA 109 OK 100 100 - 100 - 3.0=100 * HA ALA 108 + H ALA 109 OK 83 100 - 83 - 3.6=77, 2.1/7564=10...(9) HA ALA 110 - H ALA 109 OK 35 81 - 44 - 3.0/7567=11, 2.1/7564=6...(13) HA LYS 31 - H ALA 109 lone 6 100 - 6 - 793/2.9=1 HB THR 115 - H ALA 109 lone 3 98 - 3 - 10191/3.7=1 HA LYS 36 - H ALA 109 lone 3 99 - 3 - HA ALA 16 - H ALA 109 lone 3 100 - 3 - HA ALA 15 - H ALA 109 lone 2 73 - 3 - HA LEU 22 - H ALA 109 lone 1 100 - 1 - HA GLN 61 - H ALA 109 lone 1 96 - 1 - HA LYS 26 - H ALA 109 lone 1 73 - 1 - HA ARG 23 - H ALA 109 lone 1 65 - 1 - HA ALA 12 - H ALA 109 lone 0 73 - 1 - HA LYS 19 - H ALA 109 lone 0 57 - 1 - Peak 7564 from nnoeabs.peaks (1.38, 8.08, 123.00 ppm; 3.10 A): 2 out of 15 assignments used, quality = 0.99: QB ALA 109 + H ALA 109 OK 96 96 - 100 - 2.9=100 * QB ALA 108 + H ALA 109 OK 73 100 - 73 - 3.7=60, 2.1/3517=12...(11) QB ALA 110 - H ALA 109 OK 44 99 - 45 - 2.9/7567=10, 3521=8...(15) QB ALA 15 - H ALA 109 lone 5 99 - 5 - HG3 LYS 31 - H ALA 109 lone 4 87 - 4 - HG2 LYS 36 - H ALA 109 lone 4 96 - 4 - HB3 LEU 100 - H ALA 109 lone 4 92 - 4 - 3.0/3228=1 HB2 LEU 96 - H ALA 109 lone 3 96 - 3 - HG3 LYS 26 - H ALA 109 lone 1 98 - 1 - QB ALA 28 - H ALA 109 lone 1 100 - 1 - HG3 LYS 95 - H ALA 109 lone 1 100 - 1 - HG2 LYS 95 - H ALA 109 lone 1 98 - 1 - QB ALA 29 - H ALA 109 lone 1 96 - 1 - HG2 LYS 24 - H ALA 109 lone 1 92 - 1 - HB2 LEU 42 - H ALA 109 lone 1 87 - 1 - Peak 7565 from nnoeabs.peaks (4.28, 8.08, 123.00 ppm; 3.27 A): 2 out of 14 assignments used, quality = 1.00: * HA ALA 109 + H ALA 109 OK 100 100 - 100 - 3.0=100 HA ALA 108 + H ALA 109 OK 83 100 - 83 - 3.6=77, 2.1/7564=10...(9) HA ALA 110 - H ALA 109 OK 35 81 - 44 - 3.0/7567=11, 2.1/7564=6...(13) HA LYS 31 - H ALA 109 lone 6 100 - 6 - 793/2.9=1 HB THR 115 - H ALA 109 lone 3 98 - 3 - 10191/3.7=1 HA LYS 36 - H ALA 109 lone 3 99 - 3 - HA ALA 16 - H ALA 109 lone 3 100 - 3 - HA ALA 15 - H ALA 109 lone 2 73 - 3 - HA LEU 22 - H ALA 109 lone 1 100 - 1 - HA GLN 61 - H ALA 109 lone 1 96 - 1 - HA LYS 26 - H ALA 109 lone 1 73 - 1 - HA ARG 23 - H ALA 109 lone 1 65 - 1 - HA ALA 12 - H ALA 109 lone 0 73 - 1 - HA LYS 19 - H ALA 109 lone 0 57 - 1 - Peak 7566 from nnoeabs.peaks (1.39, 8.08, 123.00 ppm; 3.10 A): 2 out of 15 assignments used, quality = 1.00: * QB ALA 109 + H ALA 109 OK 100 100 - 100 - 2.9=100 QB ALA 108 + H ALA 109 OK 70 96 - 73 - 3.7=60, 2.1/3517=12...(11) QB ALA 110 - H ALA 109 OK 38 87 - 44 - 2.9/7567=10, 3521=7...(15) HG3 LYS 31 - H ALA 109 lone 5 99 - 5 - QB ALA 15 - H ALA 109 lone 4 87 - 5 - HG2 LYS 36 - H ALA 109 lone 2 73 - 3 - HB3 LEU 100 - H ALA 109 lone 2 65 - 4 - 3.0/3228=1 HB2 LEU 96 - H ALA 109 lone 2 73 - 3 - HG LEU 96 - H ALA 109 lone 2 65 - 3 - HG2 LYS 95 - H ALA 109 lone 1 100 - 1 - HG3 LYS 26 - H ALA 109 lone 1 81 - 1 - HG3 LYS 95 - H ALA 109 lone 1 98 - 1 - QB ALA 28 - H ALA 109 lone 1 92 - 1 - QB ALA 29 - H ALA 109 lone 1 73 - 1 - HG2 LYS 24 - H ALA 109 lone 1 65 - 1 - Peak 7567 from nnoeabs.peaks (8.30, 8.08, 123.00 ppm; 4.45 A): 1 out of 6 assignments used, quality = 0.96: * H ALA 110 + H ALA 109 OK 96 100 - 96 - 4.7=88, 3525/3.0=34...(13) H GLY 111 - H ALA 109 OK 36 99 - 37 - 3529/2.9=12, 3525/3.0=11...(6) H LEU 49 - H ALA 109 lone 8 99 - 8 - 4.7/10118=4 H LEU 69 - H ALA 109 lone 3 99 - 3 - H ALA 21 - H ALA 109 lone 2 81 - 2 - H SER 99 - H ALA 109 lone 2 65 - 2 - Peak 7568 from nnoeabs.peaks (8.30, 8.30, 123.19 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 110 + H ALA 110 OK 100 100 - 100 Peak 7570 from nnoeabs.peaks (4.28, 8.30, 123.19 ppm; 2.53 A): 3 out of 14 assignments used, quality = 0.83: HA ALA 110 + H ALA 110 OK 59 81 - 73 - 3.0=63, 2.1/7573=12...(11) * HA ALA 109 + H ALA 110 OK 52 100 - 52 - 3.6=36, 2.1/3529=11...(6) HA ALA 108 + H ALA 110 OK 14 100 - 14 - 3.6/7567=5, 2.1/7573=4...(4) HA ALA 15 - H ALA 110 lone 3 73 - 4 - 2.1/7573=2 HA ALA 16 - H ALA 110 lone 2 100 - 2 - HA LYS 31 - H ALA 110 lone 2 100 - 2 - HA LYS 36 - H ALA 110 lone 1 99 - 1 - HA LEU 22 - H ALA 110 lone 1 100 - 1 - HB THR 115 - H ALA 110 lone 1 98 - 1 - HA GLN 61 - H ALA 110 lone 1 96 - 1 - HA ARG 23 - H ALA 110 lone 1 65 - 1 - HA LYS 19 - H ALA 110 lone 0 57 - 1 - HA LYS 26 - H ALA 110 lone 0 73 - 0 - HA ALA 12 - H ALA 110 lone 0 73 - 0 - Peak 7571 from nnoeabs.peaks (1.39, 8.30, 123.19 ppm; 2.56 A): 3 out of 15 assignments used, quality = 0.90: QB ALA 110 + H ALA 110 OK 69 87 - 79 - 2.9=67, 2.1/7572=15...(14) * QB ALA 109 + H ALA 110 OK 57 100 - 57 - 3.7=33, 2.1/3525=20...(7) QB ALA 108 + H ALA 110 OK 21 96 - 22 - 3.7/7567=5, 4.6/3529=5...(6) QB ALA 15 - H ALA 110 lone 8 87 - 9 - 4.9/11477=2, 4.9/11477=2, 3534=2 HG3 LYS 31 - H ALA 110 lone 2 99 - 1 - HG2 LYS 36 - H ALA 110 lone 1 73 - 1 - HB2 LEU 96 - H ALA 110 lone 1 73 - 1 - QB ALA 28 - H ALA 110 lone 1 92 - 1 - HB3 LEU 100 - H ALA 110 lone 1 65 - 1 - QB ALA 29 - H ALA 110 lone 1 73 - 1 - HG LEU 96 - H ALA 110 lone 1 65 - 1 - HG2 LYS 95 - H ALA 110 lone 0 100 - 0 - HG3 LYS 95 - H ALA 110 lone 0 98 - 0 - HG3 LYS 26 - H ALA 110 lone 0 81 - 1 - HG2 LYS 24 - H ALA 110 lone 0 65 - 0 - Peak 7572 from nnoeabs.peaks (4.28, 8.30, 123.19 ppm; 2.53 A): 3 out of 15 assignments used, quality = 0.86: * HA ALA 110 + H ALA 110 OK 74 100 - 74 - 3.0=63, 2.1/7573=12...(10) HA ALA 109 + H ALA 110 OK 41 81 - 51 - 3.6=36, 2.1/3529=11...(6) HA ALA 108 + H ALA 110 OK 11 81 - 14 - 3.6/7567=5, 2.1/7573=4...(4) HA ALA 15 - H ALA 110 lone 4 100 - 4 - 2.1/7573=2 HA ALA 21 - H ALA 110 lone 2 87 - 3 - HA ALA 16 - H ALA 110 lone 1 73 - 1 - HA LYS 31 - H ALA 110 lone 1 81 - 1 - HA ARG 23 - H ALA 110 lone 1 99 - 1 - HA LEU 22 - H ALA 110 lone 1 81 - 1 - HA LYS 36 - H ALA 110 lone 1 65 - 1 - HA GLN 61 - H ALA 110 lone 1 98 - 1 - HA ALA 12 - H ALA 110 lone 0 100 - 0 - HA THR 25 - H ALA 110 lone 0 81 - 0 - HA SER 74 - H ALA 110 lone 0 81 - 0 - HA THR 18 - H ALA 110 lone 0 73 - 0 - Peak 7573 from nnoeabs.peaks (1.38, 8.30, 123.19 ppm; 2.56 A): 3 out of 15 assignments used, quality = 0.92: * QB ALA 110 + H ALA 110 OK 80 100 - 80 - 2.9=67, 2.1/7572=15...(14) QB ALA 109 + H ALA 110 OK 49 87 - 57 - 3.7=33, 2.1/3525=20...(7) QB ALA 108 + H ALA 110 OK 23 99 - 23 - 3534=5, 3.7/7567=5...(7) QB ALA 15 - H ALA 110 lone 10 100 - 10 - 3534=2, 4.9/11477=2, 4.9/11477=2 HB2 LEU 96 - H ALA 110 lone 2 99 - 2 - HG2 LYS 36 - H ALA 110 lone 2 99 - 2 - HB3 LEU 100 - H ALA 110 lone 1 98 - 1 - QB ALA 28 - H ALA 110 lone 1 100 - 1 - HG3 LYS 31 - H ALA 110 lone 1 73 - 1 - QB ALA 29 - H ALA 110 lone 1 99 - 1 - HG3 LYS 26 - H ALA 110 lone 1 100 - 1 - HB2 LEU 42 - H ALA 110 lone 1 96 - 1 - HG2 LYS 24 - H ALA 110 lone 1 98 - 1 - HG3 LYS 95 - H ALA 110 lone 0 98 - 0 - HG2 LYS 95 - H ALA 110 lone 0 92 - 0 - Peak 7574 from nnoeabs.peaks (8.30, 8.30, 123.19 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: H ALA 110 + H ALA 110 OK 99 99 - 100 Reference assignment not found: H GLY 111 - H ALA 110 Peak 7575 from nnoeabs.peaks (8.30, 8.30, 108.05 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLY 111 + H GLY 111 OK 100 100 - 100 Peak 7576 from nnoeabs.peaks (8.30, 8.30, 108.05 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: H GLY 111 + H GLY 111 OK 99 99 - 100 Reference assignment not found: H ALA 110 - H GLY 111 Peak 7577 from nnoeabs.peaks (4.28, 8.30, 108.05 ppm; 2.54 A): 2 out of 15 assignments used, quality = 0.58: * HA ALA 110 + H GLY 111 OK 51 100 - 51 - 3.6=36, 2.1/7578=13...(6) HA ALA 109 + H GLY 111 OK 15 81 - 19 - 3525=8, 2.1/3529=5...(5) HA ALA 108 - H GLY 111 lone 6 81 - 7 - 2.1/7578=3, 3.6/7567=2 HA ALA 15 - H GLY 111 lone 2 100 - 2 - HA ALA 21 - H GLY 111 lone 2 87 - 3 - 360=1 HA ALA 16 - H GLY 111 lone 1 73 - 2 - HA LEU 22 - H GLY 111 lone 1 81 - 1 - HA ARG 23 - H GLY 111 lone 1 99 - 1 - HA GLN 61 - H GLY 111 lone 1 98 - 1 - HA LYS 31 - H GLY 111 lone 0 81 - 1 - HA ALA 12 - H GLY 111 lone 0 100 - 0 - HA LYS 36 - H GLY 111 lone 0 65 - 0 - HA THR 25 - H GLY 111 lone 0 81 - 0 - HA SER 74 - H GLY 111 lone 0 81 - 0 - HA THR 18 - H GLY 111 lone 0 73 - 0 - Peak 7578 from nnoeabs.peaks (1.38, 8.30, 108.05 ppm; 2.94 A): 3 out of 15 assignments used, quality = 0.83: * QB ALA 110 + H GLY 111 OK 73 100 - 73 - 3.7=50, 2.1/7577=22...(9) QB ALA 109 + H GLY 111 OK 25 87 - 29 - 2.1/3525=8, 3529=7...(7) QB ALA 108 + H GLY 111 OK 16 99 - 16 - 4.6/3529=3, 3537=3...(7) QB ALA 15 - H GLY 111 lone 5 100 - 5 - 2.1/7577=1 QB ALA 28 - H GLY 111 lone 1 100 - 1 - HG2 LYS 36 - H GLY 111 lone 1 99 - 1 - QB ALA 29 - H GLY 111 lone 1 99 - 1 - HB2 LEU 96 - H GLY 111 lone 1 99 - 1 - HG3 LYS 26 - H GLY 111 lone 1 100 - 1 - HB3 LEU 100 - H GLY 111 lone 1 98 - 1 - HG3 LYS 31 - H GLY 111 lone 1 73 - 1 - HG2 LYS 24 - H GLY 111 lone 0 98 - 0 - HG3 LYS 95 - H GLY 111 lone 0 98 - 0 - HB2 LEU 42 - H GLY 111 lone 0 96 - 0 - HG2 LYS 95 - H GLY 111 lone 0 92 - 0 - Peak 7579 from nnoeabs.peaks (3.93, 8.30, 108.05 ppm; 2.58 A): 2 out of 3 assignments used, quality = 0.77: * HA2 GLY 111 + H GLY 111 OK 72 100 - 72 - 3.0=66, 3.6/7581=12...(4) HD3 PRO 113 + H GLY 111 OK 16 87 - 18 - 4.8/7581=7, 3543/3.0=4...(8) HB2 SER 107 - H GLY 111 lone 0 65 - 0 - Peak 7580 from nnoeabs.peaks (3.94, 8.30, 108.05 ppm; 2.65 A): 2 out of 4 assignments used, quality = 0.81: * HA3 GLY 111 + H GLY 111 OK 78 100 - 78 - 3.0=72, 3.6/7581=13...(4) HD3 PRO 113 + H GLY 111 OK 15 73 - 20 - 4.8/7581=8, 3540/3.0=4...(9) HB2 SER 51 - H GLY 111 lone 3 98 - 3 - HD3 PRO 117 - H GLY 111 lone 1 81 - 2 - Peak 7581 from nnoeabs.peaks (7.93, 8.30, 108.05 ppm; 3.32 A): 1 out of 1 assignment used, quality = 0.72: * H VAL 112 + H GLY 111 OK 72 100 - 72 - 4.6=37, 3541/3.0=27...(7) Peak 7582 from nnoeabs.peaks (7.93, 7.93, 120.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 112 + H VAL 112 OK 100 100 - 100 Peak 7583 from nnoeabs.peaks (8.30, 7.93, 120.44 ppm; 3.56 A): 2 out of 5 assignments used, quality = 0.89: * H GLY 111 + H VAL 112 OK 80 100 - 80 - 7581=50, 3.0/3541=31...(6) H ALA 110 + H VAL 112 OK 44 99 - 44 - 4.5/7581=19, 2.9/10136=9...(6) H LEU 49 - H VAL 112 lone 5 100 - 5 - 6602/4.1=2, 3542/3.6=1 H ALA 21 - H VAL 112 lone 1 92 - 1 - H LEU 69 - H VAL 112 lone 1 96 - 1 - Peak 7584 from nnoeabs.peaks (3.93, 7.93, 120.44 ppm; 2.77 A): 2 out of 3 assignments used, quality = 0.89: * HA2 GLY 111 + H VAL 112 OK 76 100 - 76 - 3.6=47, 1.8/3545=26...(11) HD3 PRO 113 + H VAL 112 OK 57 87 - 65 - 4.8=19, 4.4/3556=12...(14) HB2 SER 107 - H VAL 112 lone 0 65 - 1 - Peak 7585 from nnoeabs.peaks (3.94, 7.93, 120.44 ppm; 2.94 A): 2 out of 4 assignments used, quality = 0.90: * HA3 GLY 111 + H VAL 112 OK 80 100 - 80 - 3.6=56, 1.8/3541=30...(9) HD3 PRO 113 + H VAL 112 OK 52 73 - 71 - 4.8=22, 4.4/3556=13...(15) HB2 SER 51 - H VAL 112 lone 2 98 - 2 - HD3 PRO 117 - H VAL 112 lone 1 81 - 1 - Peak 7586 from nnoeabs.peaks (4.42, 7.93, 120.44 ppm; 3.31 A): 1 out of 5 assignments used, quality = 1.00: * HA VAL 112 + H VAL 112 OK 100 100 - 100 - 3.0=100 HA MET 11 - H VAL 112 OK 16 100 - 16 - 3552/3.7=3, 3566/4.8=2...(8) HA THR 54 - H VAL 112 OK 13 99 - 13 - 3552/3.7=2, 3562/4.0=2...(5) HA ASN 120 - H VAL 112 lone 7 98 - 7 - 3557/4.1=1, 3552/3.7=1 HA ASP 71 - H VAL 112 lone 3 87 - 3 - Peak 7587 from nnoeabs.peaks (2.12, 7.93, 120.44 ppm; 3.10 A): 1 out of 2 assignments used, quality = 0.88: * HB VAL 112 + H VAL 112 OK 88 100 - 88 - 3.7=57, 2.1/3556=34...(11) HG3 GLU 91 - H VAL 112 lone 1 65 - 2 - Peak 7588 from nnoeabs.peaks (0.92, 7.93, 120.44 ppm; 2.84 A): 2 out of 3 assignments used, quality = 0.85: * QG2 VAL 112 + H VAL 112 OK 83 100 - 83 - 3556=49, 2.1/7587=26...(12) QD1 LEU 123 + H VAL 112 OK 17 96 - 18 - 3549/3.0=4, 10137/4.8=3...(6) QD1 LEU 48 - H VAL 112 lone 5 100 - 5 - 3549/3.0=1, 1535/4.6=1 Peak 7589 from nnoeabs.peaks (0.97, 7.93, 120.44 ppm; 3.30 A): 2 out of 4 assignments used, quality = 0.93: * QG1 VAL 112 + H VAL 112 OK 92 100 - 92 - 4.0=56, 2.1/3556=38...(11) QD2 LEU 53 + H VAL 112 OK 12 100 - 12 - 3550/3.0=4, 3555/3.7=3...(5) QG2 VAL 126 - H VAL 112 lone 2 96 - 2 - QG1 VAL 105 - H VAL 112 lone 2 73 - 2 - Peak 7590 from nnoeabs.peaks (8.57, 8.57, 108.97 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLY 114 + H GLY 114 OK 100 100 - 100 Peak 7591 from nnoeabs.peaks (4.37, 8.57, 108.97 ppm; 2.65 A): 2 out of 2 assignments used, quality = 0.74: * HA PRO 113 + H GLY 114 OK 71 100 - 71 - 3.6=41, 11516/2.9=12...(9) HA PRO 117 + H GLY 114 OK 12 92 - 13 - 3594/3.9=3, 3602/3.9=3...(6) Peak 7592 from nnoeabs.peaks (1.91, 8.57, 108.97 ppm; 3.50 A): 2 out of 6 assignments used, quality = 0.98: * HB2 PRO 113 + H GLY 114 OK 96 100 - 96 - 3.9=73, 2.3/7591=35...(14) HB2 ARG 90 + H GLY 114 OK 51 98 - 52 - 2795=10, 1.8/2805=8...(15) HB3 LEU 49 - H GLY 114 poor 9 87 - 10 - 3587/3.6=2, 3603/3.9=2 HB3 LEU 123 - H GLY 114 poor 7 56 - 13 - 3.2/10160=6, ~10165=2...(4) HB3 ARG 84 - H GLY 114 lone 4 87 - 4 - HB2 ARG 135 - H GLY 114 lone 2 73 - 3 - Peak 7593 from nnoeabs.peaks (2.27, 8.57, 108.97 ppm; 3.59 A): 1 out of 5 assignments used, quality = 0.97: * HB3 PRO 113 + H GLY 114 OK 97 100 - 97 - 3.9=79, 2.3/7591=37...(11) HB VAL 132 - H GLY 114 OK 27 87 - 31 - 2.1/11663=11...(6) HG2 GLU 97 - H GLY 114 OK 14 98 - 15 - 3596/3.9=5, 3588/3.6=5...(5) HG2 GLN 61 - H GLY 114 lone 3 81 - 3 - HB VAL 105 - H GLY 114 lone 2 65 - 3 - Peak 7594 from nnoeabs.peaks (1.93, 8.57, 108.97 ppm; 3.56 A): 2 out of 5 assignments used, quality = 0.80: * HG2 PRO 113 + H GLY 114 OK 73 100 - 73 - 3.8/7591=23, 2.3/7593=22...(8) HG LEU 53 + H GLY 114 OK 28 96 - 29 - ~9254=8, 3589/3.6=7...(7) HB2 LYS 95 - H GLY 114 lone 8 92 - 8 - 3589/3.6=2, 3605/3.9=2 HB2 MET 11 - H GLY 114 lone 6 65 - 9 - 4.4/11513=2, 3605/3.9=2...(4) HB3 LYS 95 - H GLY 114 lone 5 73 - 6 - 3589/3.6=2, 3605/3.9=1 Peak 7595 from nnoeabs.peaks (2.06, 8.57, 108.97 ppm; 4.34 A): 3 out of 7 assignments used, quality = 0.93: * HG3 PRO 113 + H GLY 114 OK 89 100 - 89 - 3.8/7591=32, 2.3/7596=32...(10) HG2 PRO 117 + H GLY 114 OK 19 81 - 24 - 3590/3.6=6, 3606/3.9=6...(6) HB VAL 118 + H GLY 114 OK 15 96 - 15 - 11542/3.6=7, 3606/3.9=3...(4) HB2 LEU 62 - H GLY 114 poor 10 96 - 10 - 3606/3.9=2, 3598/3.9=2...(4) HB3 GLN 27 - H GLY 114 lone 9 100 - 9 - 3606/3.9=2, 3598/3.9=2 HB2 GLN 127 - H GLY 114 lone 7 96 - 7 - 3606/3.9=2, 3598/3.9=2 HG3 PRO 81 - H GLY 114 lone 4 65 - 6 - ~2480=2, ~2478=2 Peak 7596 from nnoeabs.peaks (3.70, 8.57, 108.97 ppm; 4.70 A): 1 out of 1 assignment used, quality = 0.91: * HD2 PRO 113 + H GLY 114 OK 91 100 - 91 - 3.6/7591=38, 3.0/7593=28...(13) Peak 7598 from nnoeabs.peaks (3.88, 8.57, 108.97 ppm; 2.95 A): 1 out of 4 assignments used, quality = 1.00: * HA2 GLY 114 + H GLY 114 OK 100 100 - 100 - 2.9=100 HA LYS 86 - H GLY 114 lone 6 92 - 7 - 4.9/2722=1, 3631/2.9=1 HA LEU 70 - H GLY 114 lone 2 100 - 2 - HB3 SER 50 - H GLY 114 lone 1 87 - 1 - Peak 7599 from nnoeabs.peaks (4.12, 8.57, 108.97 ppm; 3.00 A): 1 out of 4 assignments used, quality = 1.00: * HA3 GLY 114 + H GLY 114 OK 100 100 - 100 - 2.9=100 HA ILE 80 - H GLY 114 lone 9 100 - 9 - 3628/2.9=2, 4.2/11183=1...(5) HA ALA 52 - H GLY 114 lone 4 73 - 5 - ~9243=3 HA CYS 45 - H GLY 114 lone 3 99 - 3 - Peak 7600 from nnoeabs.peaks (7.90, 8.57, 108.97 ppm; 3.27 A): 1 out of 3 assignments used, quality = 0.77: * H THR 115 + H GLY 114 OK 77 100 - 77 - 7602=44, 7603/2.9=23...(9) H SER 106 - H GLY 114 lone 4 87 - 4 - 3629/2.9=1, 3633/2.9=1 H GLN 104 - H GLY 114 lone 3 73 - 4 - 6.4/11430=1 Peak 7601 from nnoeabs.peaks (7.90, 7.90, 111.39 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H THR 115 + H THR 115 OK 100 100 - 100 Peak 7602 from nnoeabs.peaks (8.57, 7.90, 111.39 ppm; 3.26 A): 2 out of 2 assignments used, quality = 0.80: * H GLY 114 + H THR 115 OK 77 100 - 77 - 7600=46, 2.9/7603=23...(8) H ARG 90 + H THR 115 OK 10 99 - 10 - 3626/3.6=3, 3630/3.6=3 Peak 7603 from nnoeabs.peaks (3.88, 7.90, 111.39 ppm; 3.43 A): 1 out of 4 assignments used, quality = 0.96: * HA2 GLY 114 + H THR 115 OK 96 100 - 96 - 3.6=89, 1.8/7604=33...(7) HA LYS 86 - H THR 115 lone 3 92 - 4 - 3631/3.6=1, 7598/4.6=1 HA LEU 70 - H THR 115 lone 2 100 - 2 - HB3 SER 50 - H THR 115 lone 1 87 - 1 - Peak 7604 from nnoeabs.peaks (4.12, 7.90, 111.39 ppm; 3.46 A): 1 out of 4 assignments used, quality = 0.97: * HA3 GLY 114 + H THR 115 OK 97 100 - 97 - 3.6=91, 1.8/7603=34...(6) HA ILE 80 - H THR 115 lone 5 100 - 5 - 3628/3.6=2, 7599/4.6=1 HA CYS 45 - H THR 115 lone 2 99 - 2 - HA ALA 52 - H THR 115 lone 2 73 - 2 - Peak 7605 from nnoeabs.peaks (4.40, 7.90, 111.39 ppm; 3.28 A): 1 out of 4 assignments used, quality = 1.00: * HA THR 115 + H THR 115 OK 100 100 - 100 - 3.0=100 HA SER 33 - H THR 115 lone 6 96 - 6 - 11556/10166=2...(3) HA SER 9 - H THR 115 lone 1 81 - 1 - HA HIS 5 - H THR 115 lone 0 57 - 1 - Peak 7606 from nnoeabs.peaks (4.27, 7.90, 111.39 ppm; 3.55 A): 2 out of 11 assignments used, quality = 0.89: * HB THR 115 + H THR 115 OK 88 100 - 88 - 4.0=68, 2.1/3644=32...(6) HA GLN 61 + H THR 115 OK 12 81 - 15 - 3.0/10169=5, 3.0/10169=5...(4) HA ALA 16 - H THR 115 lone 9 99 - 9 - 10669/4.0=5, 3636/3.0=2 HA LYS 26 - H THR 115 lone 8 92 - 9 - ~11520=4, 3636/3.0=2, 3646/4.0=1 HA ALA 108 - H THR 115 lone 3 98 - 3 - 3636/3.0=1 HA LEU 22 - H THR 115 lone 2 98 - 3 - HA LYS 36 - H THR 115 lone 2 100 - 2 - HA PHE 87 - H THR 115 lone 2 65 - 3 - 2722/4.6=1 HA ALA 109 - H THR 115 lone 2 98 - 2 - HA LYS 31 - H THR 115 lone 2 98 - 2 - HA LYS 19 - H THR 115 lone 1 81 - 1 - Peak 7607 from nnoeabs.peaks (1.13, 7.90, 111.39 ppm; 3.07 A): 2 out of 4 assignments used, quality = 0.80: * QG2 THR 115 + H THR 115 OK 77 100 - 77 - 4.0=46, 3637/3.0=20...(9) QG1 VAL 132 + H THR 115 OK 13 96 - 14 - 10162/3.6=4, 10164/3.6=3...(4) QG2 VAL 132 - H THR 115 lone 8 96 - 9 - 11663/4.6=4, 3637/3.0=1 HG2 LYS 39 - H THR 115 lone 5 100 - 5 - 3637/3.0=2 Peak 7608 from nnoeabs.peaks (8.45, 7.90, 111.39 ppm; 2.98 A): 1 out of 3 assignments used, quality = 0.71: * H ASN 116 + H THR 115 OK 71 100 - 72 - 7610=34, 7611/3.0=19...(9) H ALA 12 - H THR 115 lone 8 99 - 8 - 3638/3.0=2, 3648/4.0=1...(5) H ASN 13 - H THR 115 lone 1 57 - 2 - Peak 7609 from nnoeabs.peaks (8.45, 8.45, 123.09 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASN 116 + H ASN 116 OK 100 100 - 100 Peak 7610 from nnoeabs.peaks (7.90, 8.45, 123.09 ppm; 3.23 A): 1 out of 3 assignments used, quality = 0.80: * H THR 115 + H ASN 116 OK 80 100 - 80 - 7608=44, 3.0/7611=22...(9) H SER 106 - H ASN 116 lone 8 87 - 9 - 4.4/10230=4, 3634/3.6=2 H GLN 104 - H ASN 116 lone 2 73 - 3 - Peak 7611 from nnoeabs.peaks (4.40, 8.45, 123.09 ppm; 3.41 A): 1 out of 4 assignments used, quality = 0.96: * HA THR 115 + H ASN 116 OK 96 100 - 96 - 3.6=87, 3.0/7608=27...(9) HA SER 33 - H ASN 116 lone 6 96 - 7 - 11556/11559=1...(4) HA SER 9 - H ASN 116 lone 1 81 - 1 - HA HIS 5 - H ASN 116 lone 0 57 - 0 - Peak 7612 from nnoeabs.peaks (4.27, 8.45, 123.09 ppm; 3.80 A): 2 out of 11 assignments used, quality = 0.83: * HB THR 115 + H ASN 116 OK 81 100 - 81 - 4.6=55, 3.0/7611=29...(5) HA ALA 16 + H ASN 116 OK 11 99 - 11 - 10669/4.2=5, 3636/3.6=2 HA ALA 108 - H ASN 116 lone 6 98 - 6 - 2.1/10229=3, 3636/3.6=1 HA ALA 109 - H ASN 116 lone 5 98 - 5 - 2.1/10229=3 HA LYS 26 - H ASN 116 lone 5 92 - 6 - 3636/3.6=2, 3646/4.2=1 HA GLN 61 - H ASN 116 lone 5 81 - 6 - 3646/4.2=2, 7606/4.6=2 HA LYS 31 - H ASN 116 lone 4 98 - 4 - 3.8/10229=2 HA LYS 36 - H ASN 116 lone 3 100 - 3 - 3646/4.2=1 HA LEU 22 - H ASN 116 lone 2 98 - 2 - HA PHE 87 - H ASN 116 lone 1 65 - 2 - HA LYS 19 - H ASN 116 lone 1 81 - 1 - Peak 7613 from nnoeabs.peaks (1.13, 8.45, 123.09 ppm; 4.17 A): 1 out of 4 assignments used, quality = 1.00: * QG2 THR 115 + H ASN 116 OK 100 100 - 100 - 4.2=100 QG1 VAL 132 - H ASN 116 OK 12 96 - 13 - 7607/4.6=3, 3637/3.6=3...(5) HG2 LYS 39 - H ASN 116 OK 11 100 - 11 - 4.0/7616=2, 3637/3.6=2...(5) QG2 VAL 132 - H ASN 116 OK 11 96 - 11 - 11663/11513=4...(4) Peak 7614 from nnoeabs.peaks (4.97, 8.45, 123.09 ppm; 3.62 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 116 + H ASN 116 OK 100 100 - 100 - 2.9=100 Peak 7615 from nnoeabs.peaks (2.85, 8.45, 123.09 ppm; 3.36 A): 1 out of 2 assignments used, quality = 0.86: * HB2 ASN 116 + H ASN 116 OK 86 100 - 86 - 4.0=60, 1.8/7616=25...(9) HB3 ASP 47 - H ASN 116 lone 3 73 - 4 - 3651/2.9=1 Peak 7616 from nnoeabs.peaks (2.93, 8.45, 123.09 ppm; 3.40 A): 2 out of 6 assignments used, quality = 0.87: * HB3 ASN 116 + H ASN 116 OK 85 100 - 85 - 4.0=62, 1.8/7615=35...(6) HD2 ARG 135 + H ASN 116 OK 15 92 - 16 - 3.0/10199=5, ~10200=4...(4) HE2 LYS 39 - H ASN 116 lone 10 99 - 10 - 3652/2.9=2, 4.0/7613=1 HE3 LYS 39 - H ASN 116 lone 7 87 - 8 - 3652/2.9=2, 4.0/7613=1, ~3652=1 HG CYS 73 - H ASN 116 lone 2 98 - 2 - HB2 CYS 45 - H ASN 116 lone 1 65 - 1 - Peak 7618 from nnoeabs.peaks (7.92, 8.45, 123.09 ppm; 3.23 A): 1 out of 1 assignment used, quality = 0.51: * HD22 ASN 116 + H ASN 116 OK 51 100 - 51 - 5.5=20, 3.5/7615=20...(6) Peak 7619 from nnoeabs.peaks (7.01, 7.01, 113.21 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 116 + HD21 ASN 116 OK 100 100 - 100 Peak 7620 from nnoeabs.peaks (8.45, 7.01, 113.21 ppm; 6.06 A): 2 out of 3 assignments used, quality = 1.00: * H ASN 116 + HD21 ASN 116 OK 100 100 - 100 - 5.5=100 H ALA 12 + HD21 ASN 116 OK 54 99 - 54 - 7626/1.7=15...(8) H ASN 13 - HD21 ASN 116 OK 11 57 - 19 - 3.6/10211=10, 7626/1.7=3...(5) Peak 7621 from nnoeabs.peaks (4.97, 7.01, 113.21 ppm; 5.65 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 116 + HD21 ASN 116 OK 100 100 - 100 - 4.6=100 Peak 7622 from nnoeabs.peaks (2.85, 7.01, 113.21 ppm; 3.93 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASN 116 + HD21 ASN 116 OK 100 100 - 100 - 3.5=100 HB3 ASP 47 - HD21 ASN 116 lone 4 73 - 5 - 7628/1.7=1, 3663/3.5=1 Peak 7623 from nnoeabs.peaks (2.93, 7.01, 113.21 ppm; 4.00 A): 1 out of 6 assignments used, quality = 1.00: * HB3 ASN 116 + HD21 ASN 116 OK 100 100 - 100 - 3.5=100 HE2 LYS 39 - HD21 ASN 116 OK 12 99 - 12 - 7629/1.7=3, 3658/3.5=2...(5) HD2 ARG 135 - HD21 ASN 116 OK 11 92 - 12 - 3652/4.6=3, 3658/3.5=3...(4) HE3 LYS 39 - HD21 ASN 116 poor 9 87 - 10 - 7629/1.7=3, ~7629=2...(5) HG CYS 73 - HD21 ASN 116 lone 4 98 - 4 - 7629/1.7=1 HB2 CYS 45 - HD21 ASN 116 lone 1 65 - 1 - Peak 7624 from nnoeabs.peaks (7.92, 7.01, 113.21 ppm; 2.50 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 116 + HD21 ASN 116 OK 100 100 - 100 - 1.7=100 Peak 7625 from nnoeabs.peaks (7.92, 7.92, 113.21 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 116 + HD22 ASN 116 OK 100 100 - 100 Peak 7626 from nnoeabs.peaks (8.45, 7.92, 113.21 ppm; 5.31 A): 2 out of 3 assignments used, quality = 0.99: * H ASN 116 + HD22 ASN 116 OK 97 100 - 97 - 5.5=90, 7615/3.5=43...(7) H ALA 12 + HD22 ASN 116 OK 47 99 - 47 - 3.0/10212=12...(8) H ASN 13 - HD22 ASN 116 poor 10 57 - 17 - 3.6/10212=11, 7620/1.7=2...(4) Peak 7627 from nnoeabs.peaks (4.97, 7.92, 113.21 ppm; 4.88 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 116 + HD22 ASN 116 OK 100 100 - 100 - 4.6=100 Peak 7628 from nnoeabs.peaks (2.85, 7.92, 113.21 ppm; 3.65 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASN 116 + HD22 ASN 116 OK 100 100 - 100 - 3.5=100 HB3 ASP 47 - HD22 ASN 116 lone 3 73 - 4 - 7622/1.7=1, 3663/3.5=1 Peak 7629 from nnoeabs.peaks (2.93, 7.92, 113.21 ppm; 3.81 A): 1 out of 6 assignments used, quality = 1.00: * HB3 ASN 116 + HD22 ASN 116 OK 100 100 - 100 - 3.5=100 HE2 LYS 39 - HD22 ASN 116 OK 11 99 - 11 - 7623/1.7=3, 3658/3.5=2...(5) HD2 ARG 135 - HD22 ASN 116 poor 10 92 - 11 - 3652/4.6=3, 3658/3.5=3...(4) HE3 LYS 39 - HD22 ASN 116 lone 8 87 - 9 - 7623/1.7=2, ~7623=2...(4) HG CYS 73 - HD22 ASN 116 lone 3 98 - 3 - HB2 CYS 45 - HD22 ASN 116 lone 1 65 - 1 - Peak 7630 from nnoeabs.peaks (7.01, 7.92, 113.21 ppm; 2.50 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 116 + HD22 ASN 116 OK 100 100 - 100 - 1.7=100 Peak 7631 from nnoeabs.peaks (7.75, 7.75, 118.27 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 118 + H VAL 118 OK 100 100 - 100 Peak 7632 from nnoeabs.peaks (4.37, 7.75, 118.27 ppm; 4.59 A): 1 out of 2 assignments used, quality = 1.00: * HA PRO 117 + H VAL 118 OK 100 100 - 100 - 3.6=100 HA PRO 113 - H VAL 118 OK 24 92 - 26 - 3703/4.3=8, 3695/4.3=8...(6) Peak 7633 from nnoeabs.peaks (2.36, 7.75, 118.27 ppm; 4.62 A): 1 out of 5 assignments used, quality = 1.00: * HB2 PRO 117 + H VAL 118 OK 100 100 - 100 - 4.3=100 HG3 GLN 27 - H VAL 118 OK 29 98 - 29 - 3688/3.6=6, 3704/4.3=5...(10) HG2 GLU 102 - H VAL 118 OK 15 98 - 15 - 11413/4.0=8, 3688/3.6=2...(4) HG2 GLN 27 - H VAL 118 OK 14 65 - 22 - 3.5/7643=4, 3704/4.3=3...(10) HG2 GLN 127 - H VAL 118 OK 12 81 - 15 - 3688/3.6=3, 3704/4.3=3...(6) Peak 7634 from nnoeabs.peaks (2.01, 7.75, 118.27 ppm; 3.64 A): 3 out of 6 assignments used, quality = 0.86: * HB3 PRO 117 + H VAL 118 OK 82 100 - 82 - 4.3=59, 3.0/7637=16...(10) HG3 PRO 56 + H VAL 118 OK 12 100 - 12 - 2.3/9293=3, 3689/3.6=3...(4) HG2 PRO 56 + H VAL 118 OK 12 100 - 12 - 2.3/9293=3, 3689/3.6=3...(4) HB VAL 20 - H VAL 118 lone 7 81 - 8 - 2.1/7641=2, 2.1/7641=2, ~3730=1 HB3 PRO 56 - H VAL 118 lone 6 73 - 8 - 3.0/9293=3, 3689/3.6=2 HB ILE 129 - H VAL 118 lone 3 87 - 3 - Peak 7635 from nnoeabs.peaks (2.05, 7.75, 118.27 ppm; 3.20 A): 3 out of 8 assignments used, quality = 0.95: HB VAL 118 + H VAL 118 OK 76 98 - 78 - 4.0=53, 2.1/7642=24...(9) * HG2 PRO 117 + H VAL 118 OK 55 100 - 55 - 2.3/7634=17, 2.3/7637=14...(12) HG3 PRO 117 + H VAL 118 OK 53 98 - 54 - 2.3/7634=17, 2.3/7637=14...(12) HG3 PRO 81 - H VAL 118 OK 23 99 - 23 - 2.3/7637=5, 3719/3.6=3...(9) HB2 GLN 127 - H VAL 118 OK 12 98 - 12 - 3729/2.8=2, 3744/3.9=2...(6) HB3 GLN 27 - H VAL 118 OK 11 81 - 14 - 3.0/7633=2, 3744/3.9=2...(6) HG3 PRO 113 - H VAL 118 poor 10 81 - 12 - 3618/3.6=3, 3.8/7632=2...(4) HB2 LEU 62 - H VAL 118 lone 3 98 - 3 - Peak 7636 from nnoeabs.peaks (2.05, 7.75, 118.27 ppm; 3.20 A): 4 out of 8 assignments used, quality = 0.95: HB VAL 118 + H VAL 118 OK 67 87 - 78 - 4.0=53, 2.1/7642=24...(9) * HG3 PRO 117 + H VAL 118 OK 54 100 - 54 - 2.3/7634=17, 2.3/7637=14...(12) HG2 PRO 117 + H VAL 118 OK 53 98 - 55 - 2.3/7634=17, 2.3/7637=14...(12) HG3 PRO 81 + H VAL 118 OK 23 100 - 23 - 2.3/7637=5, 3719/3.6=4...(9) HB3 GLU 55 - H VAL 118 poor 10 65 - 15 - 3.0/1720=3, 3.0/1726=3...(6) HB2 GLN 127 - H VAL 118 poor 9 87 - 11 - 3729/2.8=2, ~4037=1...(5) HB2 LEU 62 - H VAL 118 lone 2 87 - 3 - QE MET 11 - H VAL 118 lone 1 57 - 2 - Peak 7637 from nnoeabs.peaks (3.86, 7.75, 118.27 ppm; 4.20 A): 2 out of 3 assignments used, quality = 0.79: * HD2 PRO 117 + H VAL 118 OK 72 100 - 72 - 3.0/7634=24, 1.8/7638=22...(9) HD2 PRO 81 + H VAL 118 OK 26 73 - 35 - 3708/4.3=9, 3700/4.3=8...(8) HB3 SER 33 - H VAL 118 lone 3 73 - 4 - Peak 7638 from nnoeabs.peaks (3.95, 7.75, 118.27 ppm; 4.72 A): 2 out of 7 assignments used, quality = 0.84: * HD3 PRO 117 + H VAL 118 OK 81 100 - 81 - 1.8/7637=32, 3.0/7634=28...(10) HB3 SER 107 + H VAL 118 OK 17 73 - 23 - 10105/4.0=8, 11473/4.0=4...(6) HA3 GLY 111 - H VAL 118 lone 5 81 - 6 - 3693/3.6=2, 3701/4.3=1 HA3 GLY 17 - H VAL 118 lone 5 65 - 7 - 3693/3.6=2, 3701/4.3=2 HA2 GLY 17 - H VAL 118 lone 5 65 - 7 - 3693/3.6=2, 3701/4.3=2 HA LEU 100 - H VAL 118 lone 4 65 - 6 - HB2 SER 51 - H VAL 118 lone 2 57 - 3 - Peak 7639 from nnoeabs.peaks (3.81, 7.75, 118.27 ppm; 3.72 A): 1 out of 3 assignments used, quality = 1.00: * HA VAL 118 + H VAL 118 OK 100 100 - 100 - 2.8=100 HD3 PRO 58 - H VAL 118 OK 28 96 - 29 - 3743/3.9=5, 3737/4.0=5...(10) HB2 SER 130 - H VAL 118 lone 7 87 - 8 - 3737/4.0=2, 3743/3.9=2...(5) Peak 7640 from nnoeabs.peaks (2.06, 7.75, 118.27 ppm; 3.20 A): 3 out of 8 assignments used, quality = 0.95: * HB VAL 118 + H VAL 118 OK 78 100 - 78 - 4.0=53, 2.1/7642=24...(9) HG2 PRO 117 + H VAL 118 OK 54 98 - 55 - 2.3/7634=17, 2.3/7637=14...(12) HG3 PRO 117 + H VAL 118 OK 46 87 - 54 - 2.3/7634=17, 2.3/7637=14...(12) HG3 PRO 81 - H VAL 118 OK 21 92 - 22 - 2.3/7637=5, 3711/3.6=3...(8) HB3 GLN 27 - H VAL 118 OK 14 96 - 15 - 3.0/7633=2, 3744/3.9=2...(7) HG3 PRO 113 - H VAL 118 OK 13 96 - 13 - 3618/3.6=5, 3.8/7632=2...(4) HB2 GLN 127 - H VAL 118 OK 12 100 - 12 - 3729/2.8=2, 3744/3.9=2...(6) HB2 LEU 62 - H VAL 118 lone 3 100 - 3 - Peak 7641 from nnoeabs.peaks (0.90, 7.75, 118.27 ppm; 3.85 A): 1 out of 5 assignments used, quality = 0.98: * QG1 VAL 118 + H VAL 118 OK 98 100 - 98 - 3.9=95, 2.1/7642=33...(7) QD1 LEU 22 - H VAL 118 OK 25 92 - 28 - 7649/4.6=6, 2.1/10255=6...(6) QG2 VAL 20 - H VAL 118 poor 10 73 - 13 - 3730/2.8=3, 3751/4.0=2...(5) QG1 VAL 20 - H VAL 118 poor 10 73 - 13 - 3730/2.8=3, 2.1/7634=2...(6) QD2 LEU 48 - H VAL 118 lone 3 65 - 4 - 3730/2.8=1 Peak 7642 from nnoeabs.peaks (1.01, 7.75, 118.27 ppm; 3.28 A): 2 out of 3 assignments used, quality = 0.85: * QG2 VAL 118 + H VAL 118 OK 83 100 - 83 - 4.0=56, 3749/2.8=23...(7) QD1 LEU 69 + H VAL 118 OK 12 100 - 12 - 3731/2.8=4, 3740/4.0=3...(4) QG2 VAL 105 - H VAL 118 poor 9 87 - 10 - 11528/4.3=3, 3731/2.8=2...(4) Peak 7643 from nnoeabs.peaks (7.54, 7.75, 118.27 ppm; 3.62 A): 4 out of 4 assignments used, quality = 0.89: * H LEU 119 + H VAL 118 OK 80 100 - 80 - 4.6=47, 4.3/7642=17...(10) H THR 54 + H VAL 118 OK 28 81 - 35 - 6685=9, 3.0/1690=6...(9) HE22 GLN 27 + H VAL 118 OK 14 73 - 19 - 3741/4.0=4, 3753/4.0=4...(7) H VAL 77 + H VAL 118 OK 13 100 - 13 - 11751/3.6=3, 3741/4.0=2...(5) Peak 7644 from nnoeabs.peaks (8.08, 7.75, 118.27 ppm; 4.62 A): 4 out of 5 assignments used, quality = 0.90: * H ASN 120 + H VAL 118 OK 75 100 - 75 - 11562/3.6=28, 7660=25...(9) H LEU 103 + H VAL 118 OK 37 92 - 40 - 11705/3.9=20...(4) HD22 ASN 85 + H VAL 118 OK 30 92 - 33 - 3.5/10245=23, 7657/4.6=5...(7) H ALA 108 + H VAL 118 OK 11 96 - 11 - 4.7/7638=3, 7657/4.6=3 H ALA 109 - H VAL 118 lone 3 87 - 4 - Peak 7645 from nnoeabs.peaks (7.54, 7.54, 119.74 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 119 + H LEU 119 OK 100 100 - 100 Peak 7646 from nnoeabs.peaks (7.75, 7.54, 119.74 ppm; 3.63 A): 3 out of 3 assignments used, quality = 0.89: * H VAL 118 + H LEU 119 OK 80 100 - 80 - 4.6=48, 7642/4.3=17...(10) H GLU 55 + H LEU 119 OK 35 98 - 35 - 6687=9, 3742/4.1=4...(11) HE22 GLN 68 + H LEU 119 OK 15 92 - 16 - 3748/4.3=3, 3727/3.5=3...(7) Peak 7647 from nnoeabs.peaks (3.81, 7.54, 119.74 ppm; 4.52 A): 1 out of 3 assignments used, quality = 1.00: * HA VAL 118 + H LEU 119 OK 100 100 - 100 - 3.5=100 HD3 PRO 58 - H LEU 119 OK 37 96 - 38 - 3.9/9297=8, 9325/4.6=7...(8) HB2 SER 130 - H LEU 119 poor 10 87 - 11 - 3743/4.1=2, 3737/4.6=2...(5) Peak 7648 from nnoeabs.peaks (2.06, 7.54, 119.74 ppm; 3.84 A): 6 out of 8 assignments used, quality = 0.93: * HB VAL 118 + H LEU 119 OK 81 100 - 81 - 4.6=57, 2.1/7650=26...(7) HG3 PRO 81 + H LEU 119 OK 28 92 - 30 - 2.3/11190=9, 1.8/11914=9...(10) HG2 PRO 117 + H LEU 119 OK 22 98 - 22 - 3729/3.5=5, 7640/4.6=5...(6) HG3 PRO 117 + H LEU 119 OK 18 87 - 21 - 3729/3.5=4, 7635/4.6=4...(6) HB3 GLN 27 + H LEU 119 OK 12 96 - 12 - 3744/4.1=3, 3750/4.3=3...(5) HB2 GLN 127 + H LEU 119 OK 10 100 - 10 - 11557/4.6=2, 3744/4.1=2...(5) HG3 PRO 113 - H LEU 119 lone 8 96 - 8 - 11557/4.6=3, 3744/4.1=1 HB2 LEU 62 - H LEU 119 lone 4 100 - 4 - Peak 7649 from nnoeabs.peaks (0.90, 7.54, 119.74 ppm; 3.91 A): 2 out of 5 assignments used, quality = 0.97: * QG1 VAL 118 + H LEU 119 OK 94 100 - 94 - 4.1=87, 2.1/7650=28...(5) QD1 LEU 22 + H LEU 119 OK 54 92 - 59 - ~10725=16, 3.1/7652=10...(13) QG2 VAL 20 - H LEU 119 poor 8 73 - 11 - 3730/3.5=2, 3751/4.3=2...(4) QG1 VAL 20 - H LEU 119 lone 7 73 - 10 - 3730/3.5=2, 3751/4.3=2...(4) QD2 LEU 48 - H LEU 119 lone 4 65 - 6 - Peak 7650 from nnoeabs.peaks (1.01, 7.54, 119.74 ppm; 3.98 A): 2 out of 3 assignments used, quality = 0.94: * QG2 VAL 118 + H LEU 119 OK 93 100 - 93 - 4.3=81, 3749/3.5=26...(6) QD1 LEU 69 + H LEU 119 OK 15 100 - 15 - 3731/3.5=5, 3746/4.1=4...(4) QG2 VAL 105 - H LEU 119 lone 8 87 - 9 - 3746/4.1=2, 3731/3.5=2...(4) Peak 7651 from nnoeabs.peaks (4.03, 7.54, 119.74 ppm; 4.06 A): 1 out of 6 assignments used, quality = 1.00: * HA LEU 119 + H LEU 119 OK 100 100 - 100 - 2.8=100 HA ILE 37 - H LEU 119 OK 33 92 - 36 - 3.2/7656=7, 3798/4.6=5...(11) HB3 SER 124 - H LEU 119 OK 25 96 - 26 - 3774/3.9=4, 7663/3.8=3...(10) HA LEU 103 - H LEU 119 OK 24 65 - 37 - 11709/4.1=9, 3.0/7657=6...(14) HA LYS 95 - H LEU 119 lone 5 87 - 6 - HA ARG 135 - H LEU 119 lone 3 73 - 4 - Peak 7652 from nnoeabs.peaks (1.54, 7.54, 119.74 ppm; 3.86 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LEU 119 + H LEU 119 OK 99 100 - 99 - 3.9=95, 1.8/7653=26...(14) HB2 LEU 22 + H LEU 119 OK 65 100 - 65 - 3756/2.8=11, ~10725=11...(13) HB3 LEU 42 - H LEU 119 OK 17 100 - 17 - 3756/2.8=4, 3775/3.9=3...(6) Peak 7653 from nnoeabs.peaks (1.87, 7.54, 119.74 ppm; 3.89 A): 1 out of 2 assignments used, quality = 0.99: * HB3 LEU 119 + H LEU 119 OK 99 100 - 99 - 3.9=97, 1.8/7652=21...(13) HB3 LEU 123 - H LEU 119 OK 43 99 - 44 - 3757/2.8=11, 7665/3.8=10...(7) Peak 7654 from nnoeabs.peaks (1.62, 7.54, 119.74 ppm; 3.55 A): 3 out of 4 assignments used, quality = 0.97: * HG LEU 119 + H LEU 119 OK 86 100 - 86 - 4.6=46, 2.1/7656=19...(14) HG LEU 22 + H LEU 119 OK 53 92 - 57 - ~10725=13, 2.1/7649=9...(15) HB3 LEU 22 + H LEU 119 OK 52 92 - 57 - 1.8/7652=12, ~10725=9...(15) HG3 ARG 23 - H LEU 119 OK 19 96 - 20 - 3781=4, 3784/3.9=3...(8) Peak 7655 from nnoeabs.peaks (0.80, 7.54, 119.74 ppm; 3.75 A): 2 out of 4 assignments used, quality = 0.93: * QD2 LEU 119 + H LEU 119 OK 90 100 - 90 - 4.6=54, 2.1/7656=22...(14) QD1 LEU 122 + H LEU 119 OK 34 87 - 40 - 3759/2.8=9, ~3764=6...(11) QD2 LEU 49 - H LEU 119 OK 18 96 - 19 - 3759/2.8=3, 3778/3.9=3...(8) QD1 LEU 53 - H LEU 119 OK 16 81 - 19 - 3759/2.8=3, 3778/3.9=2...(12) Peak 7656 from nnoeabs.peaks (0.94, 7.54, 119.74 ppm; 3.79 A): 2 out of 3 assignments used, quality = 0.95: * QD1 LEU 119 + H LEU 119 OK 92 100 - 92 - 4.6=56, 2.1/7655=20...(15) QG2 ILE 37 + H LEU 119 OK 32 87 - 37 - 3760/2.8=8, 3771/3.9=6...(11) QG1 VAL 57 - H LEU 119 OK 21 81 - 26 - 3.9/7647=5, 9297=4...(9) Peak 7657 from nnoeabs.peaks (8.08, 7.54, 119.74 ppm; 3.59 A): 2 out of 5 assignments used, quality = 0.96: * H ASN 120 + H LEU 119 OK 94 100 - 94 - 3.8=85, 4.1/7658=13...(10) H LEU 103 + H LEU 119 OK 33 92 - 36 - 11705/4.1=12...(11) HD22 ASN 85 - H LEU 119 OK 33 92 - 36 - 3.5/10284=16, 3780/3.9=4...(8) H ALA 108 - H LEU 119 OK 16 96 - 17 - 3.6/10286=3, 3761/2.8=3...(8) H ALA 109 - H LEU 119 lone 5 87 - 5 - Peak 7658 from nnoeabs.peaks (8.12, 7.54, 119.74 ppm; 4.63 A): 1 out of 3 assignments used, quality = 0.74: * H ASN 121 + H LEU 119 OK 74 100 - 74 - 7674/3.8=34, 7690=29...(5) H PHE 87 - H LEU 119 lone 5 92 - 6 - 7674/3.8=3, 3733/3.5=2 H GLU 91 - H LEU 119 lone 5 96 - 5 - 3733/3.5=2, 7674/3.8=2 Peak 7659 from nnoeabs.peaks (8.08, 8.08, 117.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASN 120 + H ASN 120 OK 100 100 - 100 Peak 7660 from nnoeabs.peaks (7.75, 8.08, 117.66 ppm; 4.97 A): 3 out of 3 assignments used, quality = 0.88: * H VAL 118 + H ASN 120 OK 79 100 - 79 - 3.6/11562=32...(11) H GLU 55 + H ASN 120 OK 34 98 - 35 - 6687/3.8=11, 3.6/7669=7...(9) HE22 GLN 68 + H ASN 120 OK 13 92 - 14 - 7646/3.8=5, 11044/4.1=3...(6) Peak 7661 from nnoeabs.peaks (3.81, 8.08, 117.66 ppm; 5.52 A): 2 out of 3 assignments used, quality = 0.87: * HA VAL 118 + H ASN 120 OK 81 100 - 81 - 3.5/7662=33, 3733/4.1=31...(8) HD3 PRO 58 + H ASN 120 OK 30 96 - 32 - 7647/3.8=9, 7689/4.1=8...(8) HB2 SER 130 - H ASN 120 lone 9 87 - 10 - 7689/4.1=3, 7647/3.8=3 Peak 7662 from nnoeabs.peaks (7.54, 8.08, 117.66 ppm; 3.51 A): 3 out of 4 assignments used, quality = 0.94: * H LEU 119 + H ASN 120 OK 91 100 - 91 - 3.8=80, 7658/4.1=13...(10) H THR 54 + H ASN 120 OK 18 81 - 22 - 3.0/7669=4, 4.6/7660=3...(9) H VAL 77 + H ASN 120 OK 13 100 - 13 - 3754/3.6=3, 3773/4.6=2...(5) HE22 GLN 27 - H ASN 120 lone 3 73 - 5 - 3754/3.6=1 Peak 7663 from nnoeabs.peaks (4.03, 8.08, 117.66 ppm; 4.45 A): 1 out of 6 assignments used, quality = 1.00: * HA LEU 119 + H ASN 120 OK 100 100 - 100 - 3.6=100 HB3 SER 124 - H ASN 120 OK 28 96 - 29 - 7691/4.1=10, 3774/4.6=4...(9) HA ILE 37 - H ASN 120 OK 27 92 - 29 - 3.2/7668=7, 7651/3.8=5...(9) HA LEU 103 - H ASN 120 OK 21 65 - 33 - 7651/3.8=4, 4.1/3396=4...(15) HA LYS 95 - H ASN 120 lone 5 87 - 6 - HA ARG 135 - H ASN 120 lone 3 73 - 3 - Peak 7664 from nnoeabs.peaks (1.54, 8.08, 117.66 ppm; 4.10 A): 2 out of 3 assignments used, quality = 0.95: * HB2 LEU 119 + H ASN 120 OK 91 100 - 91 - 4.6=70, 1.8/7665=23...(9) HB2 LEU 22 + H ASN 120 OK 43 100 - 43 - 3756/3.6=10, 7652/3.8=10...(9) HB3 LEU 42 - H ASN 120 OK 13 100 - 13 - 3756/3.6=4, 3775/4.6=3...(4) Peak 7665 from nnoeabs.peaks (1.87, 8.08, 117.66 ppm; 3.88 A): 2 out of 2 assignments used, quality = 0.96: * HB3 LEU 119 + H ASN 120 OK 87 100 - 87 - 4.6=59, 1.8/7664=21...(11) HB3 LEU 123 + H ASN 120 OK 66 99 - 67 - 3814/2.9=15, ~11566=14...(15) Peak 7666 from nnoeabs.peaks (1.62, 8.08, 117.66 ppm; 4.36 A): 4 out of 4 assignments used, quality = 0.93: * HG LEU 119 + H ASN 120 OK 77 100 - 77 - 2.1/7668=25, 2.9/7664=21...(10) HB3 LEU 22 + H ASN 120 OK 40 92 - 43 - 1.8/7664=12, 386/4.6=8...(9) HG LEU 22 + H ASN 120 OK 39 92 - 43 - 3.0/7664=10, 394/4.6=9...(9) HG3 ARG 23 + H ASN 120 OK 17 96 - 18 - 3784/4.6=4, 3769/4.6=3...(7) Peak 7667 from nnoeabs.peaks (0.80, 8.08, 117.66 ppm; 4.25 A): 4 out of 4 assignments used, quality = 0.91: * QD2 LEU 119 + H ASN 120 OK 80 100 - 80 - 2.1/7668=24, 3759/3.6=20...(13) QD1 LEU 122 + H ASN 120 OK 40 87 - 47 - 4.3/7675=24, 3759/3.6=9...(8) QD2 LEU 49 + H ASN 120 OK 18 96 - 18 - 3778/4.6=4, 3759/3.6=3...(6) QD1 LEU 53 + H ASN 120 OK 13 81 - 16 - 4.6/7662=4, 7655/3.8=3...(5) Peak 7668 from nnoeabs.peaks (0.94, 8.08, 117.66 ppm; 4.16 A): 3 out of 3 assignments used, quality = 0.87: * QD1 LEU 119 + H ASN 120 OK 79 100 - 79 - 3760/3.6=19, 3.0/7664=19...(12) QG2 ILE 37 + H ASN 120 OK 27 87 - 31 - 3760/3.6=8, 7656/3.8=6...(7) QG1 VAL 57 + H ASN 120 OK 17 81 - 20 - 9297/3.8=6, 3.9/7661=4...(5) Peak 7669 from nnoeabs.peaks (4.42, 8.08, 117.66 ppm; 3.56 A): 1 out of 5 assignments used, quality = 1.00: * HA ASN 120 + H ASN 120 OK 100 100 - 100 - 2.9=100 HA THR 54 - H ASN 120 OK 24 100 - 24 - 1686/3.8=4, 3.6/7660=4...(8) HA VAL 112 - H ASN 120 OK 12 98 - 12 - 4.9/11562=2, 7678/5.3=2...(4) HA MET 11 - H ASN 120 lone 7 99 - 7 - 5.1/10298=1 HA ASP 71 - H ASN 120 lone 1 65 - 1 - Peak 7670 from nnoeabs.peaks (2.80, 8.08, 117.66 ppm; 3.03 A): 3 out of 4 assignments used, quality = 0.95: HB3 ASN 120 + H ASN 120 OK 74 100 - 74 - 3.8=51, 4.4/7674=12...(11) * HB2 ASN 120 + H ASN 120 OK 74 100 - 74 - 3.8=51, 4.4/7674=12...(11) HB2 ASN 121 + H ASN 120 OK 36 99 - 36 - 3.8/7674=15, 4.3/7675=11...(7) HB3 ASP 64 - H ASN 120 lone 1 100 - 1 - Peak 7671 from nnoeabs.peaks (2.80, 8.08, 117.66 ppm; 3.03 A): 3 out of 4 assignments used, quality = 0.95: * HB3 ASN 120 + H ASN 120 OK 74 100 - 74 - 3.8=51, 4.4/7674=12...(11) HB2 ASN 120 + H ASN 120 OK 74 100 - 74 - 3.8=51, 4.4/7674=12...(11) HB2 ASN 121 + H ASN 120 OK 36 99 - 36 - 3.8/7674=15, 4.3/7675=11...(7) HB3 ASP 64 - H ASN 120 lone 1 100 - 1 - Peak 7672 from nnoeabs.peaks (7.60, 8.08, 117.66 ppm; 4.55 A): 1 out of 2 assignments used, quality = 0.92: * HD21 ASN 120 + H ASN 120 OK 92 100 - 92 - 5.3=64, 3809/2.9=34...(8) HD21 ASN 13 - H ASN 120 lone 5 87 - 6 - 3809/2.9=2, 7696/4.1=2 Peak 7673 from nnoeabs.peaks (6.77, 8.08, 117.66 ppm; 5.69 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 120 + H ASN 120 OK 100 100 - 100 - 5.3=100 Peak 7674 from nnoeabs.peaks (8.12, 8.08, 117.66 ppm; 3.15 A): 1 out of 3 assignments used, quality = 0.71: * H ASN 121 + H ASN 120 OK 71 100 - 71 - 4.1=45, 4.0/7675=13...(10) H PHE 87 - H ASN 120 lone 6 92 - 7 - 4.3/7137=3, 3811/2.9=1 H GLU 91 - H ASN 120 lone 4 96 - 4 - 3811/2.9=1 Peak 7675 from nnoeabs.peaks (8.18, 8.08, 117.66 ppm; 4.17 A): 1 out of 1 assignment used, quality = 0.78: * H LEU 122 + H ASN 120 OK 78 100 - 78 - 7703/4.1=29, 7720=25...(14) Peak 7676 from nnoeabs.peaks (7.60, 7.60, 111.74 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 120 + HD21 ASN 120 OK 100 100 - 100 Peak 7677 from nnoeabs.peaks (8.08, 7.60, 111.74 ppm; 4.52 A): 2 out of 5 assignments used, quality = 0.94: * H ASN 120 + HD21 ASN 120 OK 92 100 - 92 - 5.3=63, 2.9/3809=33...(8) H ALA 108 + HD21 ASN 120 OK 33 96 - 35 - 11474/4.4=22, 7683/1.7=8...(5) H LEU 103 - HD21 ASN 120 lone 9 92 - 10 - 3805/4.4=3, 7683/1.7=2...(5) H ALA 109 - HD21 ASN 120 lone 5 87 - 5 - 3805/4.4=2, 7683/1.7=1 HD22 ASN 85 - HD21 ASN 120 lone 4 92 - 5 - 3805/4.4=2, 7683/1.7=1 Peak 7678 from nnoeabs.peaks (4.42, 7.60, 111.74 ppm; 4.04 A): 1 out of 5 assignments used, quality = 0.95: * HA ASN 120 + HD21 ASN 120 OK 95 100 - 95 - 4.4=77, 7684/1.7=25...(14) HA VAL 112 - HD21 ASN 120 OK 17 98 - 17 - 7684/1.7=5, 4.9/11734=4...(6) HA THR 54 - HD21 ASN 120 lone 10 100 - 10 - 7669/5.3=3, 7684/1.7=3...(4) HA MET 11 - HD21 ASN 120 lone 5 99 - 5 - 7684/1.7=1 HA ASP 71 - HD21 ASN 120 lone 1 65 - 1 - Peak 7679 from nnoeabs.peaks (2.80, 7.60, 111.74 ppm; 3.15 A): 2 out of 4 assignments used, quality = 0.99: HB3 ASN 120 + HD21 ASN 120 OK 88 100 - 88 - 3.5=73, 3.0/3809=16...(9) * HB2 ASN 120 + HD21 ASN 120 OK 88 100 - 88 - 3.5=73, 3.0/3809=16...(9) HB2 ASN 121 - HD21 ASN 120 OK 30 99 - 30 - 3.8/7696=8, 3819=5...(13) HB3 ASP 64 - HD21 ASN 120 lone 2 100 - 2 - Peak 7680 from nnoeabs.peaks (2.80, 7.60, 111.74 ppm; 3.15 A): 2 out of 4 assignments used, quality = 0.99: * HB3 ASN 120 + HD21 ASN 120 OK 88 100 - 88 - 3.5=73, 3.0/3809=16...(9) HB2 ASN 120 + HD21 ASN 120 OK 88 100 - 88 - 3.5=73, 3.0/3809=16...(9) HB2 ASN 121 - HD21 ASN 120 OK 30 99 - 30 - 3.8/7696=8, 3819=5...(13) HB3 ASP 64 - HD21 ASN 120 lone 2 100 - 2 - Peak 7681 from nnoeabs.peaks (6.77, 7.60, 111.74 ppm; 2.50 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 120 + HD21 ASN 120 OK 100 100 - 100 - 1.7=100 Peak 7682 from nnoeabs.peaks (6.77, 6.77, 111.74 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 120 + HD22 ASN 120 OK 100 100 - 100 Peak 7683 from nnoeabs.peaks (8.08, 6.77, 111.74 ppm; 5.09 A): 1 out of 5 assignments used, quality = 0.99: * H ASN 120 + HD22 ASN 120 OK 99 100 - 99 - 5.3=90, 7672/1.7=43...(9) H ALA 108 - HD22 ASN 120 OK 39 96 - 41 - 11474/4.4=27...(5) H LEU 103 - HD22 ASN 120 OK 11 92 - 12 - 3805/4.4=3, 7677/1.7=3...(5) HD22 ASN 85 - HD22 ASN 120 lone 5 92 - 6 - 3805/4.4=2, 7677/1.7=1 H ALA 109 - HD22 ASN 120 lone 5 87 - 6 - 3805/4.4=2, 7677/1.7=2 Peak 7684 from nnoeabs.peaks (4.42, 6.77, 111.74 ppm; 4.34 A): 1 out of 5 assignments used, quality = 0.99: * HA ASN 120 + HD22 ASN 120 OK 99 100 - 99 - 4.4=94, 3809/1.7=38...(15) HA VAL 112 - HD22 ASN 120 OK 18 98 - 18 - 7678/1.7=6, 4.9/11735=5...(6) HA THR 54 - HD22 ASN 120 OK 10 100 - 10 - 7669/5.3=4, 7678/1.7=3...(4) HA MET 11 - HD22 ASN 120 lone 5 99 - 5 - 7678/1.7=2, 7669/5.3=1 HA ASP 71 - HD22 ASN 120 lone 1 65 - 1 - Peak 7685 from nnoeabs.peaks (2.80, 6.77, 111.74 ppm; 3.46 A): 2 out of 4 assignments used, quality = 1.00: HB3 ASN 120 + HD22 ASN 120 OK 99 100 - 99 - 3.5=97, 7679/1.7=17...(10) * HB2 ASN 120 + HD22 ASN 120 OK 99 100 - 99 - 3.5=97, 7679/1.7=17...(10) HB2 ASN 121 - HD22 ASN 120 OK 34 99 - 34 - 3.8/7697=7, 7680/1.7=6...(13) HB3 ASP 64 - HD22 ASN 120 lone 2 100 - 2 - Peak 7686 from nnoeabs.peaks (2.80, 6.77, 111.74 ppm; 3.46 A): 2 out of 4 assignments used, quality = 1.00: * HB3 ASN 120 + HD22 ASN 120 OK 99 100 - 99 - 3.5=97, 7679/1.7=17...(10) HB2 ASN 120 + HD22 ASN 120 OK 99 100 - 99 - 3.5=97, 7679/1.7=17...(10) HB2 ASN 121 - HD22 ASN 120 OK 34 99 - 34 - 3.8/7697=7, 7680/1.7=6...(13) HB3 ASP 64 - HD22 ASN 120 lone 2 100 - 2 - Peak 7687 from nnoeabs.peaks (7.60, 6.77, 111.74 ppm; 2.50 A): 1 out of 2 assignments used, quality = 1.00: * HD21 ASN 120 + HD22 ASN 120 OK 100 100 - 100 - 1.7=100 HD21 ASN 13 - HD22 ASN 120 lone 1 87 - 1 - Peak 7688 from nnoeabs.peaks (8.12, 8.12, 119.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASN 121 + H ASN 121 OK 100 100 - 100 Peak 7689 from nnoeabs.peaks (3.81, 8.12, 119.98 ppm; 4.09 A): 2 out of 3 assignments used, quality = 0.81: * HA VAL 118 + H ASN 121 OK 76 100 - 76 - 3733=31, 3.5/7658=20...(10) HD3 PRO 58 + H ASN 121 OK 21 96 - 22 - 7661/4.1=4, 2.3/10316=4...(7) HB2 SER 130 - H ASN 121 lone 7 87 - 8 - 3847/3.8=1, 7718/4.0=1...(4) Peak 7690 from nnoeabs.peaks (7.54, 8.12, 119.98 ppm; 5.09 A): 2 out of 4 assignments used, quality = 0.85: * H LEU 119 + H ASN 121 OK 83 100 - 83 - 7658=44, 3.8/7674=38...(5) H THR 54 + H ASN 121 OK 13 81 - 17 - 7662/4.1=5, 3.0/7693=4...(5) H VAL 77 - H ASN 121 lone 9 100 - 9 - 7662/4.1=4, 3754/7691=1 HE22 GLN 27 - H ASN 121 lone 3 73 - 5 - 3732/3733=2, 7662/4.1=1 Peak 7691 from nnoeabs.peaks (4.03, 8.12, 119.98 ppm; 4.17 A): 4 out of 6 assignments used, quality = 0.91: * HA LEU 119 + H ASN 121 OK 73 100 - 73 - 3.6/7674=30, 2.8/7658=24...(10) HB3 SER 124 + H ASN 121 OK 59 96 - 62 - 3974/2.9=29, ~3968=18...(12) HA LEU 103 + H ASN 121 OK 11 65 - 17 - 7719/4.0=5, 3.0/7692=4...(5) HA ILE 37 + H ASN 121 OK 10 92 - 11 - 7663/4.1=3, 7719/4.0=2 HA LYS 95 - H ASN 121 lone 4 87 - 4 - HA ARG 135 - H ASN 121 lone 2 73 - 2 - Peak 7692 from nnoeabs.peaks (8.08, 8.12, 119.98 ppm; 2.93 A): 2 out of 5 assignments used, quality = 0.68: * H ASN 120 + H ASN 121 OK 62 100 - 62 - 4.1=36, 7675/4.0=11...(10) H ALA 108 + H ASN 121 OK 15 96 - 15 - 11474/3.6=11, 7720/4.0=1 H LEU 103 - H ASN 121 lone 8 92 - 9 - 7720/4.0=4, 3805/3.6=1 HD22 ASN 85 - H ASN 121 lone 4 92 - 5 - H ALA 109 - H ASN 121 lone 2 87 - 2 - Peak 7693 from nnoeabs.peaks (4.42, 8.12, 119.98 ppm; 3.95 A): 1 out of 5 assignments used, quality = 1.00: * HA ASN 120 + H ASN 121 OK 100 100 - 100 - 3.6=100 HA THR 54 - H ASN 121 OK 13 100 - 14 - 7669/4.1=4, 3.0/7690=2...(5) HA VAL 112 - H ASN 121 lone 9 98 - 9 - 7669/4.1=2, 7721/4.0=2 HA MET 11 - H ASN 121 lone 7 99 - 7 - 3.0/10316=2, 7669/4.1=1 HA ASP 71 - H ASN 121 lone 1 65 - 1 - Peak 7694 from nnoeabs.peaks (2.80, 8.12, 119.98 ppm; 2.94 A): 3 out of 4 assignments used, quality = 0.96: HB2 ASN 121 + H ASN 121 OK 74 99 - 74 - 3.8=46, 1.8/7700=26...(8) HB3 ASN 120 + H ASN 121 OK 61 100 - 61 - 4.4=29, 3.8/7674=14...(12) * HB2 ASN 120 + H ASN 121 OK 61 100 - 61 - 4.4=29, 3.8/7674=14...(12) HB3 ASP 64 - H ASN 121 lone 2 100 - 2 - Peak 7695 from nnoeabs.peaks (2.80, 8.12, 119.98 ppm; 2.94 A): 3 out of 4 assignments used, quality = 0.96: HB2 ASN 121 + H ASN 121 OK 74 99 - 74 - 3.8=46, 1.8/7700=26...(8) * HB3 ASN 120 + H ASN 121 OK 61 100 - 61 - 4.4=29, 3.8/7674=14...(12) HB2 ASN 120 + H ASN 121 OK 61 100 - 61 - 4.4=29, 3.8/7674=14...(12) HB3 ASP 64 - H ASN 121 lone 2 100 - 2 - Peak 7696 from nnoeabs.peaks (7.60, 8.12, 119.98 ppm; 5.49 A): 1 out of 2 assignments used, quality = 0.84: * HD21 ASN 120 + H ASN 121 OK 84 100 - 84 - 3809/3.6=39, 7672/4.1=34...(8) HD21 ASN 13 - H ASN 121 lone 7 87 - 7 - 3809/3.6=2, 7672/4.1=2 Peak 7697 from nnoeabs.peaks (6.77, 8.12, 119.98 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.91: * HD22 ASN 120 + H ASN 121 OK 91 100 - 91 - 1.7/7696=46, 5.3/7674=41...(8) Peak 7698 from nnoeabs.peaks (4.49, 8.12, 119.98 ppm; 3.53 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 121 + H ASN 121 OK 100 100 - 100 - 2.9=100 Peak 7699 from nnoeabs.peaks (2.80, 8.12, 119.98 ppm; 2.94 A): 3 out of 4 assignments used, quality = 0.96: * HB2 ASN 121 + H ASN 121 OK 74 100 - 74 - 3.8=46, 1.8/7700=26...(8) HB3 ASN 120 + H ASN 121 OK 61 99 - 61 - 4.4=29, 3.8/7674=14...(12) HB2 ASN 120 + H ASN 121 OK 61 99 - 61 - 4.4=29, 3.8/7674=14...(12) HB3 ASP 64 - H ASN 121 lone 2 98 - 2 - Peak 7700 from nnoeabs.peaks (2.98, 8.12, 119.98 ppm; 3.27 A): 1 out of 4 assignments used, quality = 0.82: * HB3 ASN 121 + H ASN 121 OK 82 100 - 82 - 3.8=63, 4.3/7703=16...(8) HE3 LYS 26 - H ASN 121 lone 4 81 - 5 - 3832/2.9=1 HE2 LYS 26 - H ASN 121 lone 4 81 - 5 - 3832/2.9=1 HE3 LYS 31 - H ASN 121 lone 2 81 - 2 - Peak 7701 from nnoeabs.peaks (6.88, 8.12, 119.98 ppm; 5.69 A): 1 out of 2 assignments used, quality = 1.00: * HD21 ASN 121 + H ASN 121 OK 100 100 - 100 - 5.6=100 HE21 GLN 61 - H ASN 121 OK 24 98 - 24 - 3833/2.9=7, 3852/3.8=6...(5) Peak 7702 from nnoeabs.peaks (7.78, 8.12, 119.98 ppm; 4.47 A): 1 out of 2 assignments used, quality = 0.85: * HD22 ASN 121 + H ASN 121 OK 85 100 - 85 - 5.6=50, 3.5/7700=34...(7) H GLY 75 - H ASN 121 lone 3 57 - 4 - 7727/4.0=1, 3834/2.9=1 Peak 7703 from nnoeabs.peaks (8.18, 8.12, 119.98 ppm; 3.25 A): 1 out of 1 assignment used, quality = 0.82: * H LEU 122 + H ASN 121 OK 82 100 - 82 - 4.0=52, 4.3/7700=14...(16) Peak 7704 from nnoeabs.peaks (8.26, 8.12, 119.98 ppm; 3.85 A): 2 out of 2 assignments used, quality = 0.75: * H LEU 123 + H ASN 121 OK 65 100 - 65 - 3.3/7703=32, 7739=17...(9) H GLU 30 + H ASN 121 OK 28 98 - 29 - 7734/4.0=8, 7739=8...(7) Peak 7705 from nnoeabs.peaks (6.88, 6.88, 112.45 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 121 + HD21 ASN 121 OK 100 100 - 100 Peak 7706 from nnoeabs.peaks (8.12, 6.88, 112.45 ppm; 4.67 A): 3 out of 3 assignments used, quality = 0.92: * H ASN 121 + HD21 ASN 121 OK 90 100 - 90 - 5.6=57, 7702/1.7=41...(7) H GLU 91 + HD21 ASN 121 OK 13 96 - 13 - 7712/1.7=4, 3848/3.5=3...(4) H PHE 87 + HD21 ASN 121 OK 12 92 - 13 - 7712/1.7=4, 3848/3.5=3...(4) Peak 7707 from nnoeabs.peaks (4.49, 6.88, 112.45 ppm; 5.74 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 121 + HD21 ASN 121 OK 100 100 - 100 - 4.5=100 Peak 7708 from nnoeabs.peaks (2.80, 6.88, 112.45 ppm; 3.78 A): 3 out of 4 assignments used, quality = 1.00: * HB2 ASN 121 + HD21 ASN 121 OK 100 100 - 100 - 3.5=100 HB3 ASN 120 + HD21 ASN 121 OK 58 99 - 59 - 4.4/7706=12, 7714/1.7=10...(22) HB2 ASN 120 + HD21 ASN 121 OK 58 99 - 59 - 4.4/7706=12, 7714/1.7=10...(22) HB3 ASP 64 - HD21 ASN 121 lone 3 98 - 3 - Peak 7709 from nnoeabs.peaks (2.98, 6.88, 112.45 ppm; 3.95 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ASN 121 + HD21 ASN 121 OK 100 100 - 100 - 3.5=100 HE3 LYS 26 - HD21 ASN 121 lone 6 81 - 7 - 7715/1.7=2, ~7715=1, 3832/4.5=1 HE2 LYS 26 - HD21 ASN 121 lone 6 81 - 7 - 7715/1.7=2, ~7715=1, 3832/4.5=1 HE3 LYS 31 - HD21 ASN 121 lone 2 81 - 3 - Peak 7710 from nnoeabs.peaks (7.78, 6.88, 112.45 ppm; 2.50 A): 1 out of 2 assignments used, quality = 1.00: * HD22 ASN 121 + HD21 ASN 121 OK 100 100 - 100 - 1.7=100 H GLY 75 - HD21 ASN 121 lone 0 57 - 1 - Peak 7711 from nnoeabs.peaks (7.78, 7.78, 112.45 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 121 + HD22 ASN 121 OK 100 100 - 100 Peak 7712 from nnoeabs.peaks (8.12, 7.78, 112.45 ppm; 4.90 A): 3 out of 3 assignments used, quality = 0.94: * H ASN 121 + HD22 ASN 121 OK 92 100 - 92 - 5.6=66, 7700/3.5=38...(7) H GLU 91 + HD22 ASN 121 OK 14 96 - 15 - 7706/1.7=5, 3848/3.5=4...(4) H PHE 87 + HD22 ASN 121 OK 13 92 - 14 - 7706/1.7=5, 3848/3.5=4...(4) Peak 7713 from nnoeabs.peaks (4.49, 7.78, 112.45 ppm; 5.24 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 121 + HD22 ASN 121 OK 100 100 - 100 - 4.5=100 Peak 7714 from nnoeabs.peaks (2.80, 7.78, 112.45 ppm; 3.71 A): 3 out of 4 assignments used, quality = 1.00: * HB2 ASN 121 + HD22 ASN 121 OK 100 100 - 100 - 3.5=100 HB3 ASN 120 + HD22 ASN 121 OK 60 99 - 60 - 4.4/7702=15, 7708/1.7=10...(24) HB2 ASN 120 + HD22 ASN 121 OK 60 99 - 60 - 4.4/7702=15, 7708/1.7=10...(24) HB3 ASP 64 - HD22 ASN 121 lone 3 98 - 3 - Peak 7715 from nnoeabs.peaks (2.98, 7.78, 112.45 ppm; 3.73 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ASN 121 + HD22 ASN 121 OK 100 100 - 100 - 3.5=100 HE3 LYS 26 - HD22 ASN 121 lone 6 81 - 7 - 7709/1.7=2, ~7709=1 HE2 LYS 26 - HD22 ASN 121 lone 6 81 - 7 - 7709/1.7=2, ~7709=1 HE3 LYS 31 - HD22 ASN 121 lone 2 81 - 3 - Peak 7716 from nnoeabs.peaks (6.88, 7.78, 112.45 ppm; 2.50 A): 1 out of 2 assignments used, quality = 1.00: * HD21 ASN 121 + HD22 ASN 121 OK 100 100 - 100 - 1.7=100 HE21 GLN 61 - HD22 ASN 121 lone 3 98 - 3 - Peak 7717 from nnoeabs.peaks (8.18, 8.18, 122.62 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 122 + H LEU 122 OK 100 100 - 100 Peak 7718 from nnoeabs.peaks (3.81, 8.18, 122.62 ppm; 5.54 A): 2 out of 3 assignments used, quality = 0.87: * HA VAL 118 + H LEU 122 OK 83 100 - 83 - 3733/4.0=32, 4.9/3762=29...(10) HD3 PRO 58 + H LEU 122 OK 25 96 - 26 - 7689/4.0=8, 3847/4.3=7...(6) HB2 SER 130 - H LEU 122 poor 10 87 - 11 - 3847/4.3=3, 7689/4.0=3...(4) Peak 7719 from nnoeabs.peaks (4.03, 8.18, 122.62 ppm; 3.88 A): 3 out of 6 assignments used, quality = 0.94: * HA LEU 119 + H LEU 122 OK 79 100 - 79 - 3762=24, 3.6/7675=23...(17) HB3 SER 124 + H LEU 122 OK 56 96 - 59 - 3974/3.6=22, 4.0/7759=20...(10) HA LEU 103 + H LEU 122 OK 40 65 - 61 - 4.1/11714=12...(23) HA ILE 37 - H LEU 122 OK 16 92 - 18 - 7737/3.3=3, 3866/3.5=2...(9) HA LYS 95 - H LEU 122 lone 7 87 - 8 - HA ARG 135 - H LEU 122 lone 2 73 - 2 - Peak 7720 from nnoeabs.peaks (8.08, 8.18, 122.62 ppm; 4.15 A): 3 out of 5 assignments used, quality = 0.95: * H ASN 120 + H LEU 122 OK 85 100 - 85 - 7675=50, 4.1/7703=29...(14) H LEU 103 + H LEU 122 OK 56 92 - 61 - 4.8/11714=12...(18) H ALA 108 + H LEU 122 OK 16 96 - 16 - 7692/4.0=5, 11486/5.1=3...(6) HD22 ASN 85 - H LEU 122 lone 8 92 - 9 - 9807/3.5=2, 3761/3762=2 H ALA 109 - H LEU 122 lone 3 87 - 3 - Peak 7721 from nnoeabs.peaks (4.42, 8.18, 122.62 ppm; 6.80 A): 1 out of 5 assignments used, quality = 0.96: * HA ASN 120 + H LEU 122 OK 96 100 - 96 - 3.6/7703=50, 2.9/7675=50...(12) HA VAL 112 - H LEU 122 OK 27 98 - 27 - 3.2/11749=7, 7738/3.3=6...(6) HA THR 54 - H LEU 122 OK 25 100 - 25 - 7738/3.3=9, 7693/4.0=5...(4) HA MET 11 - H LEU 122 OK 10 99 - 10 - 7693/4.0=3, 7738/3.3=1 HA ASP 71 - H LEU 122 lone 4 65 - 6 - 7738/3.3=1 Peak 7722 from nnoeabs.peaks (8.12, 8.18, 122.62 ppm; 2.98 A): 1 out of 3 assignments used, quality = 0.73: * H ASN 121 + H LEU 122 OK 73 100 - 73 - 4.0=40, 7700/4.3=12...(16) H PHE 87 - H LEU 122 lone 9 92 - 10 - 7156/3.5=2, 4.6/7730=2...(5) H GLU 91 - H LEU 122 lone 5 96 - 5 - 3829/3.6=2, 3848/4.3=1 Peak 7723 from nnoeabs.peaks (4.49, 8.18, 122.62 ppm; 5.29 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 121 + H LEU 122 OK 100 100 - 100 - 3.6=100 Peak 7724 from nnoeabs.peaks (2.80, 8.18, 122.62 ppm; 4.02 A): 3 out of 4 assignments used, quality = 0.99: * HB2 ASN 121 + H LEU 122 OK 93 100 - 93 - 4.3=79, 1.8/7725=31...(11) HB3 ASN 120 + H LEU 122 OK 70 99 - 71 - 4.4/7703=25, 3.8/7675=24...(15) HB2 ASN 120 + H LEU 122 OK 70 99 - 71 - 4.4/7703=25, 3.8/7675=24...(15) HB3 ASP 64 - H LEU 122 lone 2 98 - 2 - Peak 7725 from nnoeabs.peaks (2.98, 8.18, 122.62 ppm; 4.23 A): 1 out of 4 assignments used, quality = 0.97: * HB3 ASN 121 + H LEU 122 OK 97 100 - 97 - 4.3=92, 3.8/7703=33...(10) HE3 LYS 26 - H LEU 122 lone 4 81 - 5 - 3832/3.6=2, 7700/4.0=1 HE2 LYS 26 - H LEU 122 lone 4 81 - 5 - 3832/3.6=2, 7700/4.0=1 HE3 LYS 31 - H LEU 122 lone 3 81 - 3 - 3832/3.6=1 Peak 7726 from nnoeabs.peaks (6.88, 8.18, 122.62 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.91: * HD21 ASN 121 + H LEU 122 OK 87 100 - 87 - 5.6/7703=44, 3.5/7725=44...(7) HE21 GLN 61 + H LEU 122 OK 28 98 - 28 - 3833/3.6=9, 7701/4.0=8...(4) Peak 7727 from nnoeabs.peaks (7.78, 8.18, 122.62 ppm; 6.80 A): 1 out of 2 assignments used, quality = 0.86: * HD22 ASN 121 + H LEU 122 OK 86 100 - 86 - 7702/4.0=45, 3.5/7725=44...(7) H GLY 75 - H LEU 122 poor 9 57 - 15 - ~3863=3, ~7755=2...(6) Peak 7728 from nnoeabs.peaks (4.05, 8.18, 122.62 ppm; 3.80 A): 2 out of 5 assignments used, quality = 1.00: * HA LEU 122 + H LEU 122 OK 100 100 - 100 - 2.9=100 HA GLU 102 + H LEU 122 OK 46 100 - 46 - 3855=9, 3.6/7720=8...(14) HA ALA 92 - H LEU 122 OK 22 99 - 22 - 11312/3.3=8, 3868/3.5=3...(8) HA GLU 44 - H LEU 122 OK 13 100 - 13 - 3868/3.5=2, 7742/3.3=1...(5) HA LEU 96 - H LEU 122 lone 7 73 - 10 - 3893/4.3=1, 3868/3.5=1 Peak 7729 from nnoeabs.peaks (1.61, 8.18, 122.62 ppm; 4.04 A): 2 out of 5 assignments used, quality = 1.00: * HB2 LEU 122 + H LEU 122 OK 100 100 - 100 - 3.5=100 HG LEU 122 + H LEU 122 OK 93 96 - 98 - 4.6=68, 2.1/3900=32...(27) HG LEU 70 - H LEU 122 OK 11 98 - 11 - ~2272=2, ~2264=2...(5) HG LEU 22 - H LEU 122 poor 10 73 - 13 - 2.1/11748=5, 3763/3762=2 HB3 LEU 22 - H LEU 122 poor 9 73 - 12 - 3.1/11748=4, 3763/3762=2 Peak 7730 from nnoeabs.peaks (1.79, 8.18, 122.62 ppm; 3.51 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LEU 122 + H LEU 122 OK 100 100 - 100 - 3.5=100 HB3 LEU 103 + H LEU 122 OK 69 100 - 70 - 3876=12, 3.2/11714=11...(28) HB2 LYS 86 - H LEU 122 OK 33 100 - 33 - 9821/4.3=7, 3870/3.5=4...(12) HB3 LEU 123 - H LEU 122 OK 15 32 - 48 - 4.6/7759=13, ~3919=8...(11) HB3 LEU 98 - H LEU 122 lone 4 65 - 7 - ~7749=1 Peak 7731 from nnoeabs.peaks (1.60, 8.18, 122.62 ppm; 4.04 A): 2 out of 3 assignments used, quality = 1.00: * HG LEU 122 + H LEU 122 OK 98 100 - 98 - 4.6=68, 2.1/3900=32...(27) HB2 LEU 122 + H LEU 122 OK 96 96 - 100 - 3.5=100 HG LEU 70 - H LEU 122 poor 9 81 - 11 - ~2272=2, ~2264=2...(5) Peak 7732 from nnoeabs.peaks (0.81, 8.18, 122.62 ppm; 3.61 A): 1 out of 3 assignments used, quality = 0.95: * QD1 LEU 122 + H LEU 122 OK 95 100 - 95 - 4.3=59, 2.1/3884=26...(26) QD2 LEU 119 - H LEU 122 OK 37 87 - 43 - 3.9/3762=15, ~11552=6...(11) QG2 ILE 80 - H LEU 122 OK 11 81 - 14 - 11177/2.9=4, 3872/3.5=2...(5) Peak 7733 from nnoeabs.peaks (0.79, 8.18, 122.62 ppm; 3.68 A): 2 out of 5 assignments used, quality = 0.97: * QD2 LEU 122 + H LEU 122 OK 93 100 - 93 - 5.1=38, 2.1/3884=27...(24) QD1 LEU 103 + H LEU 122 OK 66 92 - 72 - 11714=12, 3.2/3876=10...(28) QD1 ILE 37 - H LEU 122 OK 12 73 - 16 - 7747/3.3=3, ~11570=2...(7) QD1 LEU 53 - H LEU 122 OK 11 81 - 13 - 2.1/11749=4, 10307/4.3=2...(4) QG1 VAL 63 - H LEU 122 lone 9 96 - 10 - 3873/3.5=1, 3861/2.9=1 Peak 7734 from nnoeabs.peaks (8.26, 8.18, 122.62 ppm; 3.75 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 123 + H LEU 122 OK 100 100 - 100 - 3.3=100 H GLU 30 + H LEU 122 OK 55 98 - 56 - 7741=14, 3862/2.9=9...(13) Peak 7735 from nnoeabs.peaks (7.95, 8.18, 122.62 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.98: * H SER 124 + H LEU 122 OK 98 100 - 98 - 7759=50, 7758/3.6=49...(19) Peak 7736 from nnoeabs.peaks (8.26, 8.26, 119.72 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H LEU 123 + H LEU 123 OK 100 100 - 100 H GLU 30 + H GLU 30 OK 82 82 - 100 Peak 7737 from nnoeabs.peaks (4.03, 8.26, 119.72 ppm; 4.13 A): 4 out of 12 assignments used, quality = 0.93: * HA LEU 119 + H LEU 123 OK 71 100 - 71 - 3762/3.3=22...(14) HB3 SER 124 + H LEU 123 OK 57 96 - 60 - 3975/4.2=24, 4.5/7776=16...(12) HA ILE 37 + H LEU 123 OK 26 92 - 29 - 4.0/11570=4, 1077/4.6=4...(11) HA LEU 103 + H LEU 123 OK 26 65 - 40 - 3.0/3883=7, 7719/3.3=6...(9) HA LEU 119 - H GLU 30 OK 21 87 - 25 - 2.9/11552=5, 4.9/11560=5...(11) HB3 SER 124 - H GLU 30 OK 19 79 - 24 - 4.0/7761=9, 4.5/7776=6...(8) HA LYS 95 - H LEU 123 lone 8 87 - 9 - 2962/3.9=2, 7719/3.3=1 HA ILE 37 - H GLU 30 lone 6 75 - 7 - 4.0/11570=1 HA LEU 103 - H GLU 30 lone 4 50 - 8 - 3.0/3883=2, 3866/3874=1 HA LYS 95 - H GLU 30 lone 3 70 - 4 - HA ARG 135 - H LEU 123 lone 2 73 - 2 - HA ARG 135 - H GLU 30 lone 1 57 - 1 - Peak 7738 from nnoeabs.peaks (4.42, 8.26, 119.72 ppm; 3.79 A): 4 out of 10 assignments used, quality = 0.91: * HA ASN 120 + H LEU 123 OK 78 100 - 78 - 11560=26, 11564/3.9=22...(15) HA THR 54 + H LEU 123 OK 32 100 - 32 - 9277/4.8=12, 3927/3.9=5...(7) HA ASN 120 + H GLU 30 OK 24 87 - 28 - 11560=9, 3.6/7704=7...(7) HA VAL 112 + H LEU 123 OK 22 98 - 22 - 3549/4.7=4, 3918/3.9=4...(9) HA THR 54 - H GLU 30 lone 7 86 - 9 - 9277/3944=3 HA MET 11 - H LEU 123 lone 5 99 - 5 - HA ASP 71 - H LEU 123 lone 5 65 - 8 - 11569/4.8=4 HA VAL 112 - H GLU 30 lone 4 82 - 5 - 3549/3952=1 HA MET 11 - H GLU 30 lone 2 85 - 3 - HA ASP 71 - H GLU 30 lone 1 50 - 3 - Peak 7739 from nnoeabs.peaks (8.12, 8.26, 119.72 ppm; 4.40 A): 3 out of 6 assignments used, quality = 0.88: * H ASN 121 + H LEU 123 OK 79 100 - 79 - 7703/3.3=39, 7704=35...(10) H ASN 121 + H GLU 30 OK 35 87 - 40 - 7704=15, 4.0/7734=10...(8) H PHE 87 + H LEU 123 OK 14 92 - 15 - 7722/3.3=4, 7156/4.3=4...(4) H GLU 91 - H GLU 30 poor 10 79 - 12 - 7234/4.0=4, 7233/4.0=3 H GLU 91 - H LEU 123 lone 8 96 - 8 - 7722/3.3=3, 11311/11312=2 H PHE 87 - H GLU 30 lone 6 75 - 8 - 7157/4.0=2, 4.6/6318=2 Peak 7740 from nnoeabs.peaks (4.49, 8.26, 119.72 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.99: * HA ASN 121 + H LEU 123 OK 97 100 - 97 - 7758/4.2=47, ~7703=41...(11) HA ASN 121 + H GLU 30 OK 48 87 - 56 - 3.6/7734=18, 2.9/7704=15...(7) Peak 7741 from nnoeabs.peaks (8.18, 8.26, 119.72 ppm; 3.30 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 122 + H LEU 123 OK 100 100 - 100 - 3.3=100 H LEU 122 - H GLU 30 OK 40 87 - 47 - 7734=12, 2.9/3862=7...(11) Peak 7742 from nnoeabs.peaks (4.05, 8.26, 119.72 ppm; 3.84 A): 2 out of 10 assignments used, quality = 1.00: * HA LEU 122 + H LEU 123 OK 100 100 - 100 - 3.6=100 HA LEU 122 + H GLU 30 OK 50 87 - 58 - 3862=15, 2.9/7734=11...(11) HA GLU 102 - H LEU 123 OK 28 100 - 28 - 7728/3.3=7, 3868/4.3=5...(9) HA ALA 92 - H LEU 123 OK 22 99 - 22 - 11312=9, 7728/3.3=3...(6) HA GLU 44 - H LEU 123 OK 13 100 - 13 - 7760/4.2=2, 7728/3.3=2...(4) HA GLU 102 - H GLU 30 poor 9 86 - 10 - 3862=2, 3901/3907=1...(4) HA GLU 44 - H GLU 30 poor 9 86 - 10 - 1393/4.0=2, 1395/5.1=2...(4) HA ALA 92 - H GLU 30 lone 7 85 - 8 - 11312=3 HA LEU 96 - H LEU 123 lone 5 73 - 7 - 7728/3.3=1 HA LEU 96 - H GLU 30 lone 2 57 - 4 - Peak 7743 from nnoeabs.peaks (1.61, 8.26, 119.72 ppm; 3.73 A): 3 out of 10 assignments used, quality = 0.99: * HB2 LEU 122 + H LEU 123 OK 89 100 - 89 - 4.3=64, 3.1/3907=17...(13) HG LEU 122 + H LEU 123 OK 77 96 - 81 - 2.1/3907=21, 3884/3.3=21...(11) HB2 LEU 122 + H GLU 30 OK 47 87 - 54 - 3874=13, 3.1/3907=11...(8) HG LEU 122 - H GLU 30 OK 41 79 - 52 - 2.1/3907=14, 2.1/3899=13...(7) HG LEU 70 - H LEU 123 lone 6 98 - 6 - 2.1/11099=2, 7729/3.3=1 HG LEU 22 - H LEU 123 lone 5 73 - 7 - ~11748=2, 7729/3.3=1 HB3 LEU 22 - H LEU 123 lone 5 73 - 7 - ~11748=1 HB3 LEU 22 - H GLU 30 lone 2 57 - 4 - 391/4.6=2 HG LEU 22 - H GLU 30 lone 2 57 - 4 - 399/4.6=2 HG LEU 70 - H GLU 30 lone 2 82 - 2 - Peak 7744 from nnoeabs.peaks (1.79, 8.26, 119.72 ppm; 3.55 A): 3 out of 10 assignments used, quality = 0.95: * HB3 LEU 122 + H LEU 123 OK 84 100 - 84 - 4.3=55, 1.8/3874=18...(12) HB3 LEU 103 + H LEU 123 OK 46 100 - 46 - 3876/3.3=9, 3883=8...(13) HB3 LEU 122 + H GLU 30 OK 43 87 - 49 - 1.8/3874=10, 3.1/3907=10...(7) HB3 LEU 123 - H LEU 123 OK 30 32 - 92 - 3.9=75, 1.8/3919=20...(11) HB2 LYS 86 - H LEU 123 OK 19 100 - 19 - 7730/3.3=4, 3870/4.3=3...(8) HB2 LYS 86 - H GLU 30 OK 13 86 - 15 - 2628/4.0=3, 1.8/6318=3...(5) HB3 LEU 123 - H GLU 30 OK 11 24 - 48 - 1.8/3919=12, 3.2/3952=9...(8) HB3 LEU 103 - H GLU 30 OK 10 86 - 12 - 3883=2, 3903/3907=2...(6) HB3 LEU 98 - H LEU 123 poor 10 65 - 15 - 1.8/7749=3, 3.1/7752=3...(6) HB3 LEU 98 - H GLU 30 lone 1 50 - 3 - Peak 7745 from nnoeabs.peaks (1.60, 8.26, 119.72 ppm; 3.73 A): 3 out of 6 assignments used, quality = 0.99: HB2 LEU 122 + H LEU 123 OK 85 96 - 89 - 4.3=64, 3.1/3907=17...(12) * HG LEU 122 + H LEU 123 OK 82 100 - 82 - 3884/3.3=22, 2.1/3907=21...(11) HG LEU 122 + H GLU 30 OK 46 87 - 53 - 2.1/3907=14, 3891=13...(7) HB2 LEU 122 - H GLU 30 OK 42 79 - 53 - 3874=12, 3.1/3907=11...(8) HG LEU 70 - H LEU 123 lone 5 81 - 6 - 2.1/11099=2, 7729/3.3=1 HG LEU 70 - H GLU 30 lone 1 64 - 2 - Peak 7746 from nnoeabs.peaks (0.81, 8.26, 119.72 ppm; 3.44 A): 3 out of 6 assignments used, quality = 0.93: * QD1 LEU 122 + H LEU 123 OK 81 100 - 81 - 3899=21, 2.1/3907=19...(14) QD1 LEU 122 + H GLU 30 OK 44 87 - 50 - 3899=14, 2.1/3907=12...(8) QD2 LEU 119 + H LEU 123 OK 35 87 - 40 - 3.1/11552=12, 7732/3.3=6...(10) QG2 ILE 80 - H LEU 123 poor 9 81 - 11 - 11177/3.6=3, 7732/3.3=2...(4) QD2 LEU 119 - H GLU 30 poor 9 70 - 13 - 3.1/11552=3, 10802/4.6=3 QG2 ILE 80 - H GLU 30 lone 2 64 - 3 - Peak 7747 from nnoeabs.peaks (0.79, 8.26, 119.72 ppm; 3.49 A): 3 out of 10 assignments used, quality = 0.94: * QD2 LEU 122 + H LEU 123 OK 81 100 - 81 - 3907=26, 3900/3.3=19...(14) QD2 LEU 122 + H GLU 30 OK 47 87 - 54 - 3907=17, 2.1/3899=11...(9) QD1 LEU 103 + H LEU 123 OK 39 92 - 42 - 11714/3.3=11, 3861/3.6=7...(12) QD1 ILE 37 - H LEU 123 OK 23 73 - 31 - 11571/3.9=11...(10) QG1 VAL 63 - H LEU 123 lone 9 96 - 9 - 11571/3.9=2, 11016/3.9=1 QD1 LEU 103 - H GLU 30 poor 8 75 - 11 - 11714/7734=1...(6) QD1 LEU 53 - H LEU 123 lone 7 81 - 9 - ~11749=2, 10366/7776=1 QD1 ILE 37 - H GLU 30 lone 6 57 - 10 - 10780/3.6=2...(3) QG1 VAL 63 - H GLU 30 lone 3 79 - 4 - QD1 LEU 53 - H GLU 30 lone 2 64 - 2 - Peak 7748 from nnoeabs.peaks (3.85, 8.26, 119.72 ppm; 3.35 A): 1 out of 12 assignments used, quality = 1.00: * HA LEU 123 + H LEU 123 OK 100 100 - 100 - 2.9=100 HA LEU 123 - H GLU 30 OK 43 87 - 50 - 3908=11, 3.0/3919=8...(12) HA LEU 62 - H LEU 123 OK 30 99 - 31 - 9383/4.2=8, 3920/3.9=4...(11) HB3 SER 33 - H LEU 123 OK 12 96 - 12 - 3929/3.9=2, 3920/3.9=2...(6) HA GLU 40 - H LEU 123 lone 7 87 - 8 - 3920/3.9=1 HD2 PRO 81 - H LEU 123 lone 7 96 - 7 - 7762/4.2=1 HA LEU 62 - H GLU 30 lone 5 85 - 6 - 9383/7754=1 HB3 SER 33 - H GLU 30 lone 5 79 - 6 - 945/4.6=2, 4.0/6322=2 HB2 SER 50 - H LEU 123 lone 3 57 - 6 - 7762/4.2=1 HD2 PRO 81 - H GLU 30 lone 1 79 - 2 - HA GLU 40 - H GLU 30 lone 1 70 - 1 - HB2 SER 50 - H GLU 30 lone 1 44 - 1 - Peak 7749 from nnoeabs.peaks (1.65, 8.26, 119.72 ppm; 3.50 A): 2 out of 22 assignments used, quality = 0.96: * HB2 LEU 123 + H LEU 123 OK 91 100 - 91 - 3.9=71, 1.8/3928=20...(13) HB2 LEU 123 + H GLU 30 OK 49 87 - 57 - 3919=14, 1.8/3928=11...(10) HG LEU 62 - H LEU 123 OK 30 99 - 30 - 3910/2.9=5, 3930/3.9=4...(12) HB2 LEU 98 - H LEU 123 OK 23 99 - 24 - 3910/2.9=4, 3165/4.8=4...(9) HG LEU 43 - H LEU 123 OK 12 81 - 15 - ~11805=3, 3910/2.9=2...(7) HD2 LYS 19 - H LEU 123 lone 9 100 - 9 - 3910/2.9=2, 3930/3.9=1...(5) HD3 LYS 19 - H LEU 123 lone 9 100 - 9 - 3910/2.9=2, 3930/3.9=1...(5) HD3 LYS 26 - H LEU 123 lone 5 73 - 7 - 3946/4.8=1, 3954/4.7=1 HB2 LEU 98 - H GLU 30 lone 4 85 - 5 - HG LEU 62 - H GLU 30 lone 4 85 - 5 - HD2 LYS 86 - H LEU 123 lone 3 65 - 5 - 3.5/7744=2, 3.5/6318=1 HD3 LYS 86 - H LEU 123 lone 3 65 - 5 - 3.5/7744=2, 3.5/6318=1 HD2 LYS 95 - H LEU 123 lone 3 96 - 3 - HD2 LYS 95 - H GLU 30 lone 2 79 - 3 - HD2 LYS 86 - H GLU 30 lone 2 50 - 4 - 3.5/6318=2, 3.5/7744=1 HD3 LYS 86 - H GLU 30 lone 2 50 - 4 - 3.5/6318=2, 3.5/7744=1 HD3 LYS 19 - H GLU 30 lone 2 86 - 2 - HD2 LYS 19 - H GLU 30 lone 2 86 - 2 - HD3 LYS 26 - H GLU 30 lone 2 57 - 3 - HD3 LYS 95 - H LEU 123 lone 2 65 - 2 - HG LEU 43 - H GLU 30 lone 1 64 - 2 - HD3 LYS 95 - H GLU 30 lone 1 50 - 2 - Peak 7750 from nnoeabs.peaks (1.88, 8.26, 119.72 ppm; 3.70 A): 3 out of 6 assignments used, quality = 0.99: * HB3 LEU 123 + H LEU 123 OK 93 98 - 96 - 3.9=84, 1.8/3919=21...(12) HB3 LEU 119 + H LEU 123 OK 60 96 - 63 - 11552=17, 11551/4.2=13...(14) HB3 LEU 123 + H GLU 30 OK 47 82 - 58 - 3928=16, 1.8/3919=13...(9) HB3 LYS 36 - H LEU 123 OK 15 73 - 20 - 3922/3.9=4, 3911/2.9=4...(7) HB3 LEU 119 - H GLU 30 OK 14 79 - 18 - 11552=5, 2.9/7737=2...(10) HB3 LYS 36 - H GLU 30 lone 3 57 - 5 - Peak 7752 from nnoeabs.peaks (0.88, 8.26, 119.72 ppm; 3.65 A): 2 out of 6 assignments used, quality = 0.94: * QD2 LEU 123 + H LEU 123 OK 87 100 - 87 - 4.8=44, 2.1/3952=22...(12) QD2 LEU 123 + H GLU 30 OK 51 87 - 59 - 3944=14, 2.1/3952=13...(10) QD2 LEU 98 - H LEU 123 OK 19 73 - 26 - 3913/2.9=5, 3924/3.9=5...(9) QG2 VAL 20 - H LEU 123 OK 18 81 - 23 - 3913/2.9=5, 3924/3.9=4...(8) QD2 LEU 98 - H GLU 30 lone 3 57 - 6 - QG2 VAL 20 - H GLU 30 lone 3 64 - 5 - Peak 7753 from nnoeabs.peaks (0.93, 8.26, 119.72 ppm; 3.69 A): 2 out of 8 assignments used, quality = 0.94: * QD1 LEU 123 + H LEU 123 OK 88 100 - 88 - 4.7=49, 3953/2.9=21...(12) QD1 LEU 123 + H GLU 30 OK 49 87 - 56 - 3952=18, 2.1/3944=12...(8) QG2 ILE 37 - H LEU 123 OK 26 73 - 36 - 3914/2.9=5, 3925/3.9=5...(11) QD1 LEU 48 - H LEU 123 OK 26 96 - 27 - 3914/2.9=5, 1531/3.9=5...(8) QG2 VAL 112 - H LEU 123 OK 21 96 - 21 - 3914/2.9=4, 3925/3.9=3...(8) QG2 ILE 37 - H GLU 30 poor 6 57 - 10 - 3.2/11570=1 QD1 LEU 48 - H GLU 30 lone 5 79 - 6 - QG2 VAL 112 - H GLU 30 lone 4 79 - 5 - Peak 7754 from nnoeabs.peaks (7.95, 8.26, 119.72 ppm; 4.45 A): 2 out of 2 assignments used, quality = 1.00: * H SER 124 + H LEU 123 OK 100 100 - 100 - 4.2=100 H SER 124 + H GLU 30 OK 52 87 - 60 - 7761=16, 3.6/3908=12...(14) Peak 7755 from nnoeabs.peaks (8.04, 8.26, 119.72 ppm; 4.17 A): 3 out of 10 assignments used, quality = 0.82: * H CYS 125 + H LEU 123 OK 70 100 - 70 - 7776=37, 3.4/7761=23...(9) H CYS 125 + H GLU 30 OK 24 87 - 28 - 7776=13, 3.4/7761=10...(5) H LEU 48 + H LEU 123 OK 23 99 - 23 - 6588/4.7=6, 6585/3.9=5...(5) H TYR 76 - H LEU 123 lone 10 100 - 9 - 3863/3.6=2, 11135/4.7=2...(4) H CYS 79 - H LEU 123 lone 6 100 - 5 - 7064/3.9=2, 7771/4.2=1 H LEU 48 - H GLU 30 lone 4 85 - 5 - 6588/3952=1 H TYR 76 - H GLU 30 lone 3 87 - 4 - H SER 130 - H LEU 123 lone 1 73 - 2 - H CYS 79 - H GLU 30 lone 1 87 - 1 - H SER 130 - H GLU 30 lone 1 57 - 2 - Peak 7756 from nnoeabs.peaks (7.95, 7.95, 113.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H SER 124 + H SER 124 OK 100 100 - 100 Peak 7757 from nnoeabs.peaks (4.42, 7.95, 113.43 ppm; 4.90 A): 3 out of 5 assignments used, quality = 0.91: * HA ASN 120 + H SER 124 OK 81 100 - 81 - 11564/4.6=30...(13) HA THR 54 + H SER 124 OK 35 100 - 35 - 9277/3951=10, 3927/4.6=8...(7) HA VAL 112 + H SER 124 OK 25 98 - 25 - 3918/4.6=5, 3927/4.6=5...(7) HA MET 11 - H SER 124 lone 6 99 - 6 - 7738/4.2=1 HA ASP 71 - H SER 124 lone 5 65 - 8 - 11569/3951=3 Peak 7758 from nnoeabs.peaks (4.49, 7.95, 113.43 ppm; 4.33 A): 1 out of 1 assignment used, quality = 0.90: * HA ASN 121 + H SER 124 OK 90 100 - 90 - 3836=46, 3.6/7759=27...(11) Peak 7759 from nnoeabs.peaks (8.18, 7.95, 113.43 ppm; 4.45 A): 1 out of 1 assignment used, quality = 0.83: * H LEU 122 + H SER 124 OK 83 100 - 83 - 3.6/7758=29, 3.3/7761=26...(15) Peak 7760 from nnoeabs.peaks (4.05, 7.95, 113.43 ppm; 3.45 A): 3 out of 5 assignments used, quality = 0.64: * HA LEU 122 + H SER 124 OK 50 100 - 51 - 2.9/7759=19, 3.6/7761=15...(7) HA GLU 102 + H SER 124 OK 17 100 - 18 - 7775/3.4=5, 3.0/10374=4...(7) HA ALA 92 + H SER 124 OK 12 99 - 12 - 11312/4.2=6, 7775/3.4=3 HA GLU 44 - H SER 124 lone 8 100 - 8 - 7775/3.4=2, 3.0/10374=1 HA LEU 96 - H SER 124 lone 4 73 - 5 - 7775/3.4=1 Peak 7761 from nnoeabs.peaks (8.26, 7.95, 113.43 ppm; 3.52 A): 2 out of 2 assignments used, quality = 0.94: * H LEU 123 + H SER 124 OK 90 100 - 90 - 4.2=59, 3.3/7759=18...(13) H GLU 30 + H SER 124 OK 41 98 - 42 - 7754=9, 3908/3.6=8...(13) Peak 7762 from nnoeabs.peaks (3.85, 7.95, 113.43 ppm; 4.55 A): 2 out of 6 assignments used, quality = 1.00: * HA LEU 123 + H SER 124 OK 100 100 - 100 - 3.6=100 HA LEU 62 + H SER 124 OK 50 99 - 50 - 9383=22, 3920/4.6=7...(11) HD2 PRO 81 - H SER 124 OK 16 96 - 16 - 2485/4.0=3, ~3966=2...(8) HB2 SER 50 - H SER 124 OK 16 57 - 28 - 3.0/3969=10, ~3962=4...(8) HB3 SER 33 - H SER 124 OK 14 96 - 15 - 3929/4.6=3, 3920/4.6=3...(7) HA GLU 40 - H SER 124 poor 10 87 - 11 - 3920/4.6=2, 7789/7790=2...(5) Peak 7763 from nnoeabs.peaks (1.65, 7.95, 113.43 ppm; 3.92 A): 2 out of 11 assignments used, quality = 0.95: * HB2 LEU 123 + H SER 124 OK 93 100 - 93 - 4.6=61, 1.8/3935=30...(12) HG LEU 62 + H SER 124 OK 31 99 - 31 - 3.7/9383=13, 3910/3.6=5...(9) HB2 LEU 98 - H SER 124 OK 24 99 - 24 - 3910/3.6=4, 4.6/7772=4...(9) HG LEU 43 - H SER 124 OK 21 81 - 26 - ~11588=15, 4.6/7772=3...(7) HD2 LYS 19 - H SER 124 lone 8 100 - 8 - 3910/3.6=2, 3930/4.6=2 HD3 LYS 19 - H SER 124 lone 8 100 - 8 - 3910/3.6=2, 3930/4.6=2 HD3 LYS 26 - H SER 124 lone 4 73 - 5 - HD2 LYS 95 - H SER 124 lone 3 96 - 3 - HD3 LYS 95 - H SER 124 lone 1 65 - 2 - HD2 LYS 86 - H SER 124 lone 1 65 - 2 - HD3 LYS 86 - H SER 124 lone 1 65 - 2 - Peak 7764 from nnoeabs.peaks (1.88, 7.95, 113.43 ppm; 3.72 A): 2 out of 3 assignments used, quality = 0.94: * HB3 LEU 123 + H SER 124 OK 86 98 - 88 - 4.6=53, 1.8/3926=29...(12) HB3 LEU 119 + H SER 124 OK 58 96 - 61 - 11551=17, 11552/4.2=12...(15) HB3 LYS 36 - H SER 124 poor 10 73 - 14 - 3922/4.6=3, 3911/3.6=3...(6) Peak 7765 from nnoeabs.peaks (1.57, 7.95, 113.43 ppm; 4.16 A): 3 out of 4 assignments used, quality = 0.95: * HG LEU 123 + H SER 124 OK 90 100 - 90 - 3943=36, 2.1/3959=32...(12) HG13 ILE 37 + H SER 124 OK 29 87 - 34 - 3912/3.6=7, 3923/4.6=7...(9) HG LEU 49 + H SER 124 OK 25 92 - 28 - 2.1/11585=8, 3912/3.6=5...(8) HG2 ARG 23 - H SER 124 lone 4 73 - 6 - Peak 7766 from nnoeabs.peaks (0.88, 7.95, 113.43 ppm; 4.12 A): 1 out of 3 assignments used, quality = 0.93: * QD2 LEU 123 + H SER 124 OK 93 100 - 93 - 2.1/3959=31, 2.1/3943=30...(16) QG2 VAL 20 - H SER 124 OK 25 81 - 30 - 11587/2.9=5, 3913/3.6=5...(10) QD2 LEU 98 - H SER 124 OK 19 73 - 25 - 3913/3.6=5, 3924/4.6=5...(7) Peak 7767 from nnoeabs.peaks (0.93, 7.95, 113.43 ppm; 4.01 A): 2 out of 4 assignments used, quality = 0.96: * QD1 LEU 123 + H SER 124 OK 93 100 - 93 - 3959=35, 2.1/3943=28...(15) QD1 LEU 48 + H SER 124 OK 36 96 - 38 - 10372/4.0=8, 3914/3.6=5...(14) QG2 ILE 37 - H SER 124 OK 22 73 - 30 - 3914/3.6=5, 3.2/7765=5...(10) QG2 VAL 112 - H SER 124 OK 18 96 - 19 - 3914/3.6=4, 3.2/7757=3...(8) Peak 7768 from nnoeabs.peaks (4.24, 7.95, 113.43 ppm; 3.62 A): 1 out of 5 assignments used, quality = 1.00: * HA SER 124 + H SER 124 OK 100 100 - 100 - 2.9=100 HA GLN 27 - H SER 124 OK 13 98 - 13 - 10760/3959=4, 7779/3.4=2...(5) HA ALA 28 - H SER 124 lone 5 98 - 5 - 7779/3.4=1 HA ARG 84 - H SER 124 lone 5 81 - 6 - 9784/7766=1 HA SER 94 - H SER 124 lone 4 73 - 5 - 11335/3951=2 Peak 7769 from nnoeabs.peaks (4.00, 7.95, 113.43 ppm; 3.18 A): 3 out of 5 assignments used, quality = 0.86: * HB2 SER 124 + H SER 124 OK 78 100 - 78 - 4.0=52, 1.8/3975=30...(9) HA SER 50 + H SER 124 OK 26 100 - 26 - 3969=9, 3962/2.9=5...(9) HA VAL 20 + H SER 124 OK 16 92 - 18 - 10707/4.6=4, 3.2/7766=3...(8) HA GLN 68 - H SER 124 lone 8 99 - 8 - 3962/2.9=2, 7780/3.4=2 HB3 SER 99 - H SER 124 lone 4 57 - 7 - 3.7/7772=3 Peak 7770 from nnoeabs.peaks (4.03, 7.95, 113.43 ppm; 3.15 A): 2 out of 5 assignments used, quality = 0.84: * HB3 SER 124 + H SER 124 OK 74 100 - 74 - 4.0=50, 1.8/3969=23...(9) HA LEU 119 + H SER 124 OK 37 96 - 39 - 2.9/11551=11, 7781/3.4=5...(10) HA ILE 37 - H SER 124 poor 8 65 - 12 - 4.0/7765=3, 3.2/7767=2 HD3 PRO 81 - H SER 124 lone 5 73 - 6 - 3963/2.9=2, 1.8/7762=1, ~3966=1 HA LYS 95 - H SER 124 lone 2 57 - 4 - Peak 7771 from nnoeabs.peaks (8.04, 7.95, 113.43 ppm; 3.49 A): 1 out of 5 assignments used, quality = 1.00: * H CYS 125 + H SER 124 OK 100 100 - 100 - 3.4=100 H LEU 48 - H SER 124 OK 22 99 - 22 - 3979/4.0=4, 6585/4.6=3...(8) H TYR 76 - H SER 124 lone 8 100 - 8 - 3964/2.9=1, 3979/4.0=1 H CYS 79 - H SER 124 lone 7 100 - 7 - 3964/2.9=2, 3979/4.0=1 H SER 130 - H SER 124 lone 3 73 - 4 - 7792/7790=1, 3964/2.9=1 Peak 7772 from nnoeabs.peaks (8.29, 7.95, 113.43 ppm; 3.75 A): 3 out of 5 assignments used, quality = 0.68: * H VAL 126 + H SER 124 OK 54 100 - 54 - 7790=31, 7785/3.4=19...(6) H SER 99 + H SER 124 OK 19 100 - 19 - 3916/3.6=5, 7785/3.4=4...(5) H LEU 43 + H SER 124 OK 13 98 - 13 - 3916/3.6=5, 7785/3.4=3...(5) H LEU 69 - H SER 124 lone 5 73 - 6 - 3.6/7769=2, 7785/3.4=2 H GLU 40 - H SER 124 lone 3 57 - 5 - 3916/3.6=2, 2.8/7762=1 Peak 7773 from nnoeabs.peaks (8.04, 8.04, 119.83 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H CYS 125 + H CYS 125 OK 100 100 - 100 Peak 7774 from nnoeabs.peaks (4.49, 8.04, 119.83 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.91: * HA ASN 121 + H CYS 125 OK 91 100 - 91 - 7758/3.4=49, 3974/4.5=46...(9) Peak 7775 from nnoeabs.peaks (4.05, 8.04, 119.83 ppm; 3.69 A): 4 out of 5 assignments used, quality = 0.86: * HA LEU 122 + H CYS 125 OK 69 100 - 69 - 3863=18, 3.6/7776=16...(11) HA GLU 102 + H CYS 125 OK 34 100 - 34 - 3863=5, 7760/3.4=5...(10) HA ALA 92 + H CYS 125 OK 20 99 - 20 - 9927/3.9=7, 7760/3.4=3...(6) HA GLU 44 + H CYS 125 OK 16 100 - 15 - 7760/3.4=3, 3.0/10360=2...(5) HA LEU 96 - H CYS 125 poor 9 73 - 12 - 3994/3.9=4, 3988/3.9=3...(4) Peak 7776 from nnoeabs.peaks (8.26, 8.04, 119.83 ppm; 3.96 A): 2 out of 2 assignments used, quality = 0.68: * H LEU 123 + H CYS 125 OK 59 100 - 59 - 7755=21, 7761/3.4=21...(8) H GLU 30 + H CYS 125 OK 21 98 - 22 - 7761/3.4=10, 7755=7...(5) Peak 7778 from nnoeabs.peaks (7.95, 8.04, 119.83 ppm; 3.51 A): 1 out of 1 assignment used, quality = 1.00: * H SER 124 + H CYS 125 OK 100 100 - 100 - 3.4=100 Peak 7779 from nnoeabs.peaks (4.24, 8.04, 119.83 ppm; 4.59 A): 1 out of 5 assignments used, quality = 1.00: * HA SER 124 + H CYS 125 OK 100 100 - 100 - 3.6=100 HA GLN 27 - H CYS 125 OK 18 98 - 18 - 7768/3.4=4, 7804/7786=3...(6) HA ALA 28 - H CYS 125 OK 11 98 - 11 - 7791/3.6=2, 7768/3.4=2...(4) HA ARG 84 - H CYS 125 lone 7 81 - 8 - 7768/3.4=1, 5.0/7784=1 HA SER 94 - H CYS 125 lone 5 73 - 6 - 7768/3.4=1 Peak 7780 from nnoeabs.peaks (4.00, 8.04, 119.83 ppm; 3.65 A): 4 out of 5 assignments used, quality = 0.90: * HB2 SER 124 + H CYS 125 OK 81 100 - 81 - 4.5=53, 1.8/7781=25...(7) HA SER 50 + H CYS 125 OK 29 100 - 29 - 3973=8, 3969/3.4=6...(6) HA GLN 68 + H CYS 125 OK 12 99 - 12 - 3962/3.6=2, 3.0/10359=2...(5) HA VAL 20 + H CYS 125 OK 11 92 - 12 - 7769/3.4=4, 3962/3.6=2...(4) HB3 SER 99 - H CYS 125 poor 7 57 - 11 - 11589/2.9=4, 3.7/7785=3 Peak 7781 from nnoeabs.peaks (4.03, 8.04, 119.83 ppm; 3.53 A): 2 out of 5 assignments used, quality = 0.86: * HB3 SER 124 + H CYS 125 OK 78 100 - 78 - 4.5=48, 3975/3.4=25...(9) HA LEU 119 + H CYS 125 OK 34 96 - 36 - 3.7/10363=9, 7770/3.4=8...(9) HD3 PRO 81 - H CYS 125 lone 4 73 - 6 - 3963/3.6=2, 7770/3.4=1 HA ILE 37 - H CYS 125 lone 4 65 - 6 - 7770/3.4=2 HA LYS 95 - H CYS 125 lone 2 57 - 3 - Peak 7782 from nnoeabs.peaks (4.35, 8.04, 119.83 ppm; 3.85 A): 1 out of 2 assignments used, quality = 1.00: * HA CYS 125 + H CYS 125 OK 100 100 - 100 - 2.9=100 HA GLN 134 - H CYS 125 OK 30 99 - 30 - 3990/3.9=5, 3996/3.9=5...(8) Peak 7783 from nnoeabs.peaks (2.74, 8.04, 119.83 ppm; 3.73 A): 2 out of 2 assignments used, quality = 0.94: * HB2 CYS 125 + H CYS 125 OK 92 100 - 92 - 3.9=85, 1.8/7784=31...(6) HB3 ASP 78 + H CYS 125 OK 24 99 - 23 - 2420=6, 3982/2.9=6...(7) Peak 7784 from nnoeabs.peaks (3.21, 8.04, 119.83 ppm; 3.85 A): 1 out of 4 assignments used, quality = 0.97: * HB3 CYS 125 + H CYS 125 OK 97 100 - 97 - 3.9=94, 1.8/7783=31...(4) HD3 ARG 84 - H CYS 125 lone 6 73 - 8 - 3983/2.9=2, ~3983=1, ~11591=1 HD2 ARG 84 - H CYS 125 lone 6 73 - 8 - 3983/2.9=2, ~3983=1, ~11591=1 HB3 HIS 8 - H CYS 125 lone 3 92 - 3 - Peak 7785 from nnoeabs.peaks (8.29, 8.04, 119.83 ppm; 3.53 A): 1 out of 5 assignments used, quality = 0.97: * H VAL 126 + H CYS 125 OK 97 100 - 97 - 3.6=92, 7790/3.4=19...(9) H SER 99 - H CYS 125 OK 18 100 - 18 - 7772/3.4=5, 3984/2.9=3...(5) H LEU 43 - H CYS 125 OK 14 98 - 14 - 3984/2.9=3, 7772/3.4=3...(5) H LEU 69 - H CYS 125 poor 8 73 - 10 - 3.6/7780=2, 4.4/10359=1...(4) H GLU 40 - H CYS 125 lone 3 57 - 5 - Peak 7786 from nnoeabs.peaks (8.20, 8.04, 119.83 ppm; 3.97 A): 2 out of 2 assignments used, quality = 0.77: * H GLN 127 + H CYS 125 OK 73 100 - 73 - 7805=26, 3.5/7785=20...(10) H VAL 63 + H CYS 125 OK 14 96 - 15 - 7800/3.6=6, 3965/3.6=5 Peak 7787 from nnoeabs.peaks (8.29, 8.29, 121.89 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 126 + H VAL 126 OK 100 100 - 100 Peak 7788 from nnoeabs.peaks (4.05, 8.29, 121.89 ppm; 5.51 A): 3 out of 5 assignments used, quality = 0.94: * HA LEU 122 + H VAL 126 OK 83 100 - 83 - 4.3/10405=33...(8) HA ALA 92 + H VAL 126 OK 45 99 - 45 - 9927/4.7=18...(7) HA GLU 102 + H VAL 126 OK 35 100 - 35 - 7775/3.6=10, 3864/4.7=8...(7) HA GLU 44 - H VAL 126 OK 28 100 - 28 - 4.9/1339=5, 7775/3.6=5...(8) HA LEU 96 - H VAL 126 OK 22 73 - 30 - 3994/4.7=8, 3988/4.7=5...(8) Peak 7789 from nnoeabs.peaks (3.85, 8.29, 121.89 ppm; 5.35 A): 5 out of 6 assignments used, quality = 0.95: * HA LEU 123 + H VAL 126 OK 78 100 - 78 - 3.6/7790=38, 3917/3.7=26...(7) HA LEU 62 + H VAL 126 OK 49 99 - 49 - 1968/3.5=14...(9) HA GLU 40 + H VAL 126 OK 31 87 - 36 - 3.6/7801=11, 4.9/10937=7...(8) HD2 PRO 81 + H VAL 126 OK 24 96 - 25 - 10393/4.0=10, 4008/3.7=6...(5) HB3 SER 33 + H VAL 126 OK 11 96 - 11 - 4008/3.7=2, 10393/4.0=2...(4) HB2 SER 50 - H VAL 126 lone 3 57 - 5 - 7762/7790=1 Peak 7790 from nnoeabs.peaks (7.95, 8.29, 121.89 ppm; 4.41 A): 1 out of 1 assignment used, quality = 0.60: * H SER 124 + H VAL 126 OK 60 100 - 60 - 7772=29, 3.4/7785=25...(6) Peak 7791 from nnoeabs.peaks (4.24, 8.29, 121.89 ppm; 6.80 A): 3 out of 5 assignments used, quality = 0.92: * HA SER 124 + H VAL 126 OK 86 100 - 86 - 2.9/7790=50, 3965/3.5=37...(7) HA GLN 27 + H VAL 126 OK 26 98 - 27 - 7804/3.5=14, 7779/3.6=6...(4) HA ALA 28 + H VAL 126 OK 20 98 - 20 - 7804/3.5=7, 7779/3.6=4...(7) HA ARG 84 - H VAL 126 poor 10 81 - 12 - 7779/3.6=2, 5.0/7795=2...(4) HA SER 94 - H VAL 126 poor 9 73 - 12 - 7804/3.5=4, 7779/3.6=2...(4) Peak 7792 from nnoeabs.peaks (8.04, 8.29, 121.89 ppm; 3.44 A): 1 out of 5 assignments used, quality = 0.94: * H CYS 125 + H VAL 126 OK 94 100 - 94 - 3.6=85, 3.4/7790=17...(9) H SER 130 - H VAL 126 OK 21 73 - 28 - 7877/2.9=11, 7805/3.5=6...(7) H CYS 79 - H VAL 126 OK 12 100 - 12 - 7062/4.7=3, 3980/3.6=3...(4) H TYR 76 - H VAL 126 lone 9 100 - 9 - 3980/3.6=2, 3989/4.7=1 H LEU 48 - H VAL 126 lone 7 99 - 7 - 7771/7790=1, 3980/3.6=1 Peak 7793 from nnoeabs.peaks (4.35, 8.29, 121.89 ppm; 5.56 A): 1 out of 2 assignments used, quality = 1.00: * HA CYS 125 + H VAL 126 OK 100 100 - 100 - 3.6=100 HA GLN 134 - H VAL 126 OK 34 99 - 34 - 7782/3.6=10, 3990/4.7=9...(8) Peak 7794 from nnoeabs.peaks (2.74, 8.29, 121.89 ppm; 4.66 A): 1 out of 2 assignments used, quality = 1.00: * HB2 CYS 125 + H VAL 126 OK 100 100 - 100 - 4.7=100 HB3 ASP 78 - H VAL 126 OK 22 99 - 22 - 7783/3.6=7, 3982/3.6=7...(4) Peak 7795 from nnoeabs.peaks (3.21, 8.29, 121.89 ppm; 4.63 A): 1 out of 4 assignments used, quality = 0.99: * HB3 CYS 125 + H VAL 126 OK 99 100 - 99 - 4.7=98, 7784/3.6=30...(4) HD3 ARG 84 - H VAL 126 lone 5 73 - 7 - 3983/3.6=2, 7784/3.6=2 HD2 ARG 84 - H VAL 126 lone 5 73 - 7 - 3983/3.6=2, 7784/3.6=2 HB3 HIS 8 - H VAL 126 lone 4 92 - 4 - 3983/3.6=1 Peak 7796 from nnoeabs.peaks (3.43, 8.29, 121.89 ppm; 4.23 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 126 + H VAL 126 OK 100 100 - 100 - 2.9=100 Peak 7797 from nnoeabs.peaks (2.10, 8.29, 121.89 ppm; 3.61 A): 1 out of 4 assignments used, quality = 0.96: * HB VAL 126 + H VAL 126 OK 96 100 - 96 - 3.7=91, 2.1/4021=25...(7) HG3 GLU 91 - H VAL 126 OK 17 96 - 18 - 4002/2.9=4, 4017/4.0=4...(5) HB3 GLN 61 - H VAL 126 OK 14 96 - 15 - 7809/3.5=4, 4002/2.9=3...(5) HB2 GLN 61 - H VAL 126 OK 10 81 - 13 - 4002/2.9=3, 7809/3.5=3...(5) Peak 7798 from nnoeabs.peaks (0.96, 8.29, 121.89 ppm; 3.18 A): 2 out of 4 assignments used, quality = 0.91: * QG1 VAL 126 + H VAL 126 OK 78 100 - 78 - 4.0=51, 2.1/4021=20...(7) QG2 VAL 126 + H VAL 126 OK 59 81 - 73 - 4.0=52, 2.1/7797=18...(8) QG1 VAL 105 - H VAL 126 lone 5 98 - 5 - 4003/2.9=2, 4012/3.7=1 QG1 VAL 57 - H VAL 126 lone 2 73 - 3 - Peak 7799 from nnoeabs.peaks (0.96, 8.29, 121.89 ppm; 3.16 A): 3 out of 5 assignments used, quality = 0.92: * QG2 VAL 126 + H VAL 126 OK 73 100 - 73 - 4.0=51, 2.1/7797=18...(8) QG1 VAL 126 + H VAL 126 OK 60 81 - 74 - 4.0=50, 2.1/4021=20...(8) QD2 LEU 53 + H VAL 126 OK 27 98 - 28 - 2.1/10399=8, ~10401=7...(8) QG1 VAL 105 - H VAL 126 lone 4 96 - 4 - 4003/2.9=1, 4012/3.7=1 QG1 VAL 112 - H VAL 126 lone 2 96 - 2 - Peak 7800 from nnoeabs.peaks (8.20, 8.29, 121.89 ppm; 3.69 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 127 + H VAL 126 OK 100 100 - 100 - 3.5=100 H VAL 63 - H VAL 126 OK 27 96 - 28 - 4014/3.7=6, 4020/4.0=5...(8) Peak 7801 from nnoeabs.peaks (7.88, 8.29, 121.89 ppm; 5.46 A): 2 out of 2 assignments used, quality = 0.87: * H GLU 128 + H VAL 126 OK 78 100 - 78 - 7839/3.6=33, 7841/2.9=30...(9) H ALA 41 + H VAL 126 OK 40 87 - 46 - 7819/3.5=11...(7) Peak 7802 from nnoeabs.peaks (8.20, 8.20, 119.68 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLN 127 + H GLN 127 OK 100 100 - 100 Peak 7803 from nnoeabs.peaks (3.85, 8.20, 119.68 ppm; 5.07 A): 3 out of 6 assignments used, quality = 0.94: HA LEU 62 + H GLN 127 OK 77 99 - 78 - 1968=19, 3.9/2004=12...(17) * HA LEU 123 + H GLN 127 OK 63 100 - 63 - 4.9/3965=21, 3917/4.6=21...(8) HA GLU 40 + H GLN 127 OK 34 87 - 39 - 3.6/7819=10, 1243/3.2=5...(11) HD2 PRO 81 - H GLN 127 OK 25 96 - 26 - 10393/4.3=9, 4008/4.6=5...(6) HB3 SER 33 - H GLN 127 lone 7 96 - 8 - 7789/3.5=2, 10393/4.3=2 HB2 SER 50 - H GLN 127 lone 3 57 - 5 - Peak 7804 from nnoeabs.peaks (4.24, 8.20, 119.68 ppm; 5.22 A): 2 out of 5 assignments used, quality = 0.95: * HA SER 124 + H GLN 127 OK 85 100 - 85 - 3965=38, 3.6/7786=34...(11) HA GLN 27 + H GLN 127 OK 65 98 - 66 - 11606/4.8=18...(12) HA ALA 28 - H GLN 127 OK 30 98 - 30 - 4039/4.0=6, 4049/4.0=6...(10) HA SER 94 - H GLN 127 OK 19 73 - 26 - 3.0/7812=4, 4049/4.0=4...(11) HA ARG 84 - H GLN 127 lone 6 81 - 7 - 7791/3.5=1 Peak 7805 from nnoeabs.peaks (8.04, 8.20, 119.68 ppm; 4.12 A): 2 out of 5 assignments used, quality = 0.89: * H CYS 125 + H GLN 127 OK 80 100 - 80 - 7786=42, 7785/3.5=22...(10) H SER 130 + H GLN 127 OK 41 73 - 57 - 3.6/7820=20, 4036/2.9=15...(7) H CYS 79 - H GLN 127 lone 6 100 - 6 - 7792/3.5=3 H TYR 76 - H GLN 127 lone 6 100 - 6 - 7792/3.5=2 H LEU 48 - H GLN 127 lone 4 99 - 4 - 7792/3.5=2, 3964/3965=1 Peak 7807 from nnoeabs.peaks (8.29, 8.20, 119.68 ppm; 3.62 A): 1 out of 5 assignments used, quality = 1.00: * H VAL 126 + H GLN 127 OK 100 100 - 100 - 3.5=100 H LEU 43 - H GLN 127 OK 22 98 - 23 - 7840/3.2=4, 4000/3.6=4...(6) H SER 99 - H GLN 127 OK 14 100 - 14 - 4000/3.6=2, 4021/4.4=2...(7) H LEU 69 - H GLN 127 OK 10 73 - 14 - 6912/2.9=3, 4000/3.6=2...(6) H GLU 40 - H GLN 127 poor 8 57 - 14 - 4.6/7819=4, 2.8/7803=3...(5) Peak 7808 from nnoeabs.peaks (3.43, 8.20, 119.68 ppm; 5.21 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 126 + H GLN 127 OK 100 100 - 100 - 3.6=100 Peak 7809 from nnoeabs.peaks (2.10, 8.20, 119.68 ppm; 3.53 A): 4 out of 4 assignments used, quality = 0.85: * HB VAL 126 + H GLN 127 OK 74 100 - 74 - 4.6=44, 2.1/4026=21...(7) HB3 GLN 61 + H GLN 127 OK 18 96 - 18 - 4.6/6797=4, 4002/3.6=3...(7) HG3 GLU 91 + H GLN 127 OK 17 96 - 17 - 4017/4.3=4, 4002/3.6=4...(5) HB2 GLN 61 + H GLN 127 OK 13 81 - 16 - 4.6/6797=4, 4.0/6762=2...(7) Peak 7810 from nnoeabs.peaks (0.96, 8.20, 119.68 ppm; 3.68 A): 2 out of 4 assignments used, quality = 0.95: * QG1 VAL 126 + H GLN 127 OK 85 100 - 85 - 4.3=61, 2.1/4026=23...(9) QG2 VAL 126 + H GLN 127 OK 66 81 - 82 - 4.4=60, 2.1/7809=22...(8) QG1 VAL 105 - H GLN 127 lone 8 98 - 8 - 4003/3.6=2, ~7850=1, 4012/4.6=1 QG1 VAL 57 - H GLN 127 lone 7 73 - 10 - 4.1/7820=3, 10440/3.2=2 Peak 7811 from nnoeabs.peaks (0.96, 8.20, 119.68 ppm; 3.74 A): 2 out of 5 assignments used, quality = 0.95: * QG2 VAL 126 + H GLN 127 OK 85 100 - 85 - 4.4=63, 2.1/4020=22...(8) QG1 VAL 126 + H GLN 127 OK 69 81 - 85 - 4.3=64, 2.1/4026=23...(9) QD2 LEU 53 - H GLN 127 OK 14 98 - 15 - 4004/3.6=6, 7799/3.5=5 QG1 VAL 105 - H GLN 127 lone 7 96 - 7 - 4003/3.6=2, ~7850=2, 4012/4.6=1 QG1 VAL 112 - H GLN 127 lone 2 96 - 2 - Peak 7812 from nnoeabs.peaks (3.97, 8.20, 119.68 ppm; 3.83 A): 1 out of 9 assignments used, quality = 1.00: * HA GLN 127 + H GLN 127 OK 100 100 - 100 - 2.9=100 HA THR 65 - H GLN 127 OK 31 100 - 31 - 2.9/6835=6, ~11029=5...(12) HB3 SER 94 - H GLN 127 OK 17 98 - 17 - 4051/4.0=3, 4041/4.0=3...(8) HB2 SER 106 - H GLN 127 OK 15 98 - 15 - 4041/4.0=2, 4051/4.0=2...(6) HA2 GLY 17 - H GLN 127 poor 9 73 - 12 - 3.6/10681=7 HA3 GLY 17 - H GLN 127 poor 9 73 - 12 - 3.6/10681=7 HB3 SER 106 - H GLN 127 poor 7 65 - 10 - 4041/4.0=1, 4051/4.0=1...(4) HA LEU 100 - H GLN 127 lone 5 73 - 7 - 4051/4.0=1 HB3 SER 107 - H GLN 127 lone 3 65 - 5 - Peak 7813 from nnoeabs.peaks (2.06, 8.20, 119.68 ppm; 3.54 A): 2 out of 8 assignments used, quality = 0.97: * HB2 GLN 127 + H GLN 127 OK 94 100 - 94 - 4.0=71, 3.0/7816=23...(15) HB2 LEU 62 + H GLN 127 OK 49 100 - 49 - ~11006=8, 3.1/2004=7...(15) HB3 GLN 27 - H GLN 127 OK 33 96 - 35 - 3.0/7804=5, 4029/2.9=5...(11) HG2 PRO 117 - H GLN 127 OK 16 98 - 17 - 4029/2.9=2, 4052/4.0=2...(8) HB VAL 118 - H GLN 127 OK 13 100 - 13 - 4029/2.9=2, ~4037=2...(6) HG3 PRO 117 - H GLN 127 OK 13 87 - 15 - 4029/2.9=2, 2.3/7815=2...(8) HG3 PRO 81 - H GLN 127 lone 7 92 - 7 - 2.3/7803=2 HG3 PRO 113 - H GLN 127 lone 5 96 - 5 - Peak 7814 from nnoeabs.peaks (2.23, 8.20, 119.68 ppm; 3.58 A): 2 out of 8 assignments used, quality = 0.98: * HB3 GLN 127 + H GLN 127 OK 94 100 - 94 - 4.0=74, 3.0/7816=23...(16) HB3 GLU 128 + H GLN 127 OK 66 100 - 66 - 4096/3.2=21, 4.5/7820=12...(14) HB3 GLU 102 - H GLN 127 OK 25 98 - 26 - 3345/4.8=4, 4030/2.9=4...(10) HG2 GLN 68 - H GLN 127 OK 22 92 - 24 - 4030/2.9=4, ~2130=3...(9) HB2 GLN 68 - H GLN 127 OK 22 81 - 27 - 2130/2.9=6, ~2140=4...(11) HB3 GLN 104 - H GLN 127 OK 14 96 - 15 - 11620/4.3=3, 7852/3.2=2...(5) HG2 GLU 91 - H GLN 127 OK 13 100 - 13 - 1.8/7809=5, 2881/4.6=3...(4) HB3 LEU 96 - H GLN 127 lone 1 57 - 1 - Peak 7815 from nnoeabs.peaks (2.35, 8.20, 119.68 ppm; 4.15 A): 1 out of 5 assignments used, quality = 0.97: * HG2 GLN 127 + H GLN 127 OK 97 100 - 97 - 4.8=66, 1.8/7816=39...(19) HG2 GLN 27 - H GLN 127 OK 45 99 - 45 - 722/4.0=8, 4031/2.9=7...(13) HG3 GLN 27 - H GLN 127 OK 42 96 - 44 - 731/4.0=7, 4031/2.9=6...(13) HG2 GLU 102 - H GLN 127 OK 28 96 - 30 - 7846/3.2=6, 3351/4.0=5...(11) HB2 PRO 117 - H GLN 127 OK 17 81 - 20 - 2.3/7813=3, 4031/2.9=3...(9) Peak 7816 from nnoeabs.peaks (2.49, 8.20, 119.68 ppm; 4.05 A): 1 out of 1 assignment used, quality = 0.96: * HG3 GLN 127 + H GLN 127 OK 96 100 - 96 - 4.8=61, 1.8/4059=29...(17) Peak 7819 from nnoeabs.peaks (7.88, 8.20, 119.68 ppm; 3.75 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 128 + H GLN 127 OK 100 100 - 100 - 3.2=100 H ALA 41 - H GLN 127 OK 34 87 - 40 - 4035/2.9=7, 4058/4.0=6...(11) Peak 7820 from nnoeabs.peaks (8.00, 8.20, 119.68 ppm; 4.22 A): 2 out of 3 assignments used, quality = 0.81: * H ILE 129 + H GLN 127 OK 76 100 - 76 - 7859/3.6=30, 7860=27...(11) H VAL 57 + H GLN 127 OK 17 96 - 18 - 7855/3.2=9, 4006/3.6=5...(5) H LYS 36 - H GLN 127 lone 4 81 - 5 - 7855/3.2=2, 4006/3.6=1 Peak 7821 from nnoeabs.peaks (6.82, 6.82, 112.36 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 127 + HE21 GLN 127 OK 100 100 - 100 Peak 7823 from nnoeabs.peaks (3.97, 6.82, 112.36 ppm; 5.15 A): 2 out of 9 assignments used, quality = 0.93: * HA GLN 127 + HE21 GLN 127 OK 91 100 - 91 - 5.6=77, 4060/3.5=24...(5) HA THR 65 + HE21 GLN 127 OK 30 100 - 30 - 2065/4.5=7, 7831/1.7=6...(7) HB2 SER 106 - HE21 GLN 127 OK 22 98 - 23 - 7831/1.7=5, 4069/3.5=4...(8) HB3 SER 94 - HE21 GLN 127 OK 22 98 - 22 - 7831/1.7=5, 4069/3.5=4...(6) HB3 SER 106 - HE21 GLN 127 OK 11 65 - 16 - ~7831=4, 7831/1.7=2...(6) HA LEU 100 - HE21 GLN 127 poor 8 73 - 11 - 3229/10430=2, 4051/4.5=2...(6) HA2 GLY 17 - HE21 GLN 127 lone 7 73 - 10 - 7831/1.7=2, 4069/3.5=1...(4) HA3 GLY 17 - HE21 GLN 127 lone 7 73 - 10 - 7831/1.7=2, 4069/3.5=1...(4) HB3 SER 107 - HE21 GLN 127 lone 6 65 - 9 - 7831/1.7=1...(3) Peak 7824 from nnoeabs.peaks (2.06, 6.82, 112.36 ppm; 5.87 A): 3 out of 8 assignments used, quality = 1.00: * HB2 GLN 127 + HE21 GLN 127 OK 100 100 - 100 - 4.5=100 HB2 LEU 62 + HE21 GLN 127 OK 59 100 - 59 - 3.2/10431=16, ~10434=14...(10) HB3 GLN 27 + HE21 GLN 127 OK 47 96 - 49 - 4061/3.5=9, 4070/3.5=9...(9) HB VAL 118 - HE21 GLN 127 OK 37 100 - 37 - 3.0/10419=12, ~10420=9...(8) HG2 PRO 117 - HE21 GLN 127 OK 29 98 - 29 - 4070/3.5=5, 4061/3.5=4...(10) HG3 PRO 117 - HE21 GLN 127 OK 23 87 - 27 - 4070/3.5=4, 4052/4.5=4...(9) HG3 PRO 113 - HE21 GLN 127 OK 12 96 - 12 - 10141/10430=3...(6) HG3 PRO 81 - HE21 GLN 127 lone 8 92 - 9 - 7832/1.7=1, 4061/3.5=1 Peak 7825 from nnoeabs.peaks (2.23, 6.82, 112.36 ppm; 4.76 A): 1 out of 8 assignments used, quality = 1.00: * HB3 GLN 127 + HE21 GLN 127 OK 100 100 - 100 - 4.5=100 HB3 GLU 102 - HE21 GLN 127 OK 31 98 - 31 - 3345/3.5=9, 4071/3.5=6...(8) HB3 GLU 128 - HE21 GLN 127 OK 26 100 - 26 - 4071/3.5=6, 4062/3.5=5...(6) HG2 GLN 68 - HE21 GLN 127 OK 22 92 - 24 - 4071/3.5=4, 7833/1.7=4...(8) HB2 GLN 68 - HE21 GLN 127 OK 19 81 - 24 - 2130/5.6=5, 4071/3.5=3...(8) HB3 GLN 104 - HE21 GLN 127 OK 13 96 - 13 - 7833/1.7=2, 4071/3.5=2...(7) HG2 GLU 91 - HE21 GLN 127 lone 8 100 - 7 - 7833/1.7=1, 4071/3.5=1 HB3 LEU 96 - HE21 GLN 127 lone 1 57 - 2 - Peak 7826 from nnoeabs.peaks (2.35, 6.82, 112.36 ppm; 3.54 A): 1 out of 5 assignments used, quality = 1.00: * HG2 GLN 127 + HE21 GLN 127 OK 100 100 - 100 - 3.5=100 HG2 GLN 27 - HE21 GLN 127 OK 26 99 - 26 - 7834/1.7=6, 4072/3.5=5...(9) HG3 GLN 27 - HE21 GLN 127 OK 24 96 - 26 - 7834/1.7=5, 4072/3.5=5...(9) HG2 GLU 102 - HE21 GLN 127 OK 16 96 - 16 - 7834/1.7=3, 3351/4.5=3...(7) HB2 PRO 117 - HE21 GLN 127 poor 10 81 - 12 - 7834/1.7=2, 4072/3.5=2...(6) Peak 7827 from nnoeabs.peaks (2.49, 6.82, 112.36 ppm; 3.83 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 127 + HE21 GLN 127 OK 100 100 - 100 - 3.5=100 Peak 7828 from nnoeabs.peaks (7.48, 6.82, 112.36 ppm; 2.50 A): 1 out of 3 assignments used, quality = 1.00: * HE22 GLN 127 + HE21 GLN 127 OK 100 100 - 100 - 1.7=100 H LEU 42 - HE21 GLN 127 lone 3 65 - 5 - 4075/3.5=1, 4066/3.5=1 H GLN 134 - HE21 GLN 127 lone 1 65 - 1 - Peak 7829 from nnoeabs.peaks (7.48, 7.48, 112.36 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 127 + HE22 GLN 127 OK 100 100 - 100 Peak 7831 from nnoeabs.peaks (3.97, 7.48, 112.36 ppm; 4.74 A): 4 out of 9 assignments used, quality = 0.91: * HA GLN 127 + HE22 GLN 127 OK 81 100 - 81 - 5.6=60, 4060/3.5=22...(5) HA THR 65 + HE22 GLN 127 OK 25 100 - 26 - 2065/4.5=6, 7823/1.7=5...(6) HB2 SER 106 + HE22 GLN 127 OK 19 98 - 20 - 7823/1.7=4, 4069/3.5=4...(8) HB3 SER 94 + HE22 GLN 127 OK 19 98 - 19 - 4060/3.5=4, 4069/3.5=4...(6) HB3 SER 106 - HE22 GLN 127 poor 9 65 - 13 - ~7823=3, 7823/1.7=2...(6) HA2 GLY 17 - HE22 GLN 127 lone 6 73 - 8 - 7823/1.7=1, 4069/3.5=1 HA3 GLY 17 - HE22 GLN 127 lone 6 73 - 8 - 7823/1.7=1, 4069/3.5=1 HA LEU 100 - HE22 GLN 127 lone 6 73 - 8 - 4051/4.5=1, 7823/1.7=1...(5) HB3 SER 107 - HE22 GLN 127 lone 5 65 - 7 - 11853/10434=1 Peak 7832 from nnoeabs.peaks (2.06, 7.48, 112.36 ppm; 4.89 A): 2 out of 8 assignments used, quality = 1.00: * HB2 GLN 127 + HE22 GLN 127 OK 100 100 - 100 - 4.5=100 HB2 LEU 62 + HE22 GLN 127 OK 52 100 - 52 - 3.2/10434=15, ~10431=10...(10) HB3 GLN 27 - HE22 GLN 127 OK 40 96 - 42 - 4061/3.5=9, 4070/3.5=8...(9) HB VAL 118 - HE22 GLN 127 OK 29 100 - 29 - 3.0/10420=8, ~10419=7...(9) HG2 PRO 117 - HE22 GLN 127 OK 24 98 - 24 - 4070/3.5=4, 4061/3.5=4...(9) HG3 PRO 117 - HE22 GLN 127 OK 19 87 - 21 - 4070/3.5=3, 4061/3.5=3...(9) HG3 PRO 113 - HE22 GLN 127 lone 8 96 - 8 - 10141/10433=1...(5) HG3 PRO 81 - HE22 GLN 127 lone 7 92 - 7 - 9127/9116=1 Peak 7833 from nnoeabs.peaks (2.23, 7.48, 112.36 ppm; 4.83 A): 1 out of 8 assignments used, quality = 1.00: * HB3 GLN 127 + HE22 GLN 127 OK 100 100 - 100 - 4.5=100 HB3 GLU 102 - HE22 GLN 127 OK 31 98 - 32 - 3345/3.5=9, 4071/3.5=6...(8) HB3 GLU 128 - HE22 GLN 127 OK 27 100 - 27 - 4071/3.5=6, 4062/3.5=5...(6) HG2 GLN 68 - HE22 GLN 127 OK 22 92 - 24 - 4071/3.5=4, 7825/1.7=4...(8) HB2 GLN 68 - HE22 GLN 127 OK 20 81 - 25 - 2130/5.6=5, 7825/1.7=4...(8) HB3 GLN 104 - HE22 GLN 127 OK 13 96 - 13 - 7825/1.7=2, 4071/3.5=2...(7) HG2 GLU 91 - HE22 GLN 127 lone 8 100 - 8 - 7825/1.7=1, 4071/3.5=1...(5) HB3 LEU 96 - HE22 GLN 127 lone 1 57 - 2 - Peak 7834 from nnoeabs.peaks (2.35, 7.48, 112.36 ppm; 3.32 A): 4 out of 5 assignments used, quality = 0.94: * HG2 GLN 127 + HE22 GLN 127 OK 89 100 - 89 - 3.5=85, 4062/4.5=8...(6) HG2 GLN 27 + HE22 GLN 127 OK 23 99 - 23 - 7826/1.7=5, 4072/3.5=4...(9) HG3 GLN 27 + HE22 GLN 127 OK 21 96 - 22 - 7826/1.7=4, 4072/3.5=4...(9) HG2 GLU 102 + HE22 GLN 127 OK 14 96 - 14 - 7826/1.7=3, 3351/4.5=2...(7) HB2 PRO 117 - HE22 GLN 127 poor 9 81 - 11 - 4072/3.5=2, 7826/1.7=2...(6) Peak 7835 from nnoeabs.peaks (2.49, 7.48, 112.36 ppm; 3.51 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 127 + HE22 GLN 127 OK 100 100 - 100 - 3.5=100 Peak 7836 from nnoeabs.peaks (6.82, 7.48, 112.36 ppm; 2.50 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 127 + HE22 GLN 127 OK 100 100 - 100 - 1.7=100 Peak 7837 from nnoeabs.peaks (7.88, 7.88, 119.85 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 128 + H GLU 128 OK 100 100 - 100 Peak 7838 from nnoeabs.peaks (4.24, 7.88, 119.85 ppm; 4.41 A): 4 out of 5 assignments used, quality = 0.84: * HA SER 124 + H GLU 128 OK 63 100 - 63 - 3965/3.2=23, 4.9/7839=18...(9) HA GLN 27 + H GLU 128 OK 41 98 - 42 - 4049/4.7=8, 4039/4.7=8...(9) HA ALA 28 + H GLU 128 OK 16 98 - 17 - 4039/4.7=4, 4049/4.7=4...(5) HA SER 94 + H GLU 128 OK 12 73 - 16 - 3.0/7843=3, 4049/4.7=2...(7) HA ARG 84 - H GLU 128 lone 3 81 - 4 - Peak 7839 from nnoeabs.peaks (4.35, 7.88, 119.85 ppm; 4.07 A): 2 out of 2 assignments used, quality = 0.89: * HA CYS 125 + H GLU 128 OK 86 100 - 86 - 3985=30, 11590/2.9=21...(15) HA GLN 134 + H GLU 128 OK 23 99 - 23 - 4087/3.6=9, 4095/3.6=7...(5) Peak 7840 from nnoeabs.peaks (8.29, 7.88, 119.85 ppm; 4.68 A): 4 out of 5 assignments used, quality = 0.82: * H VAL 126 + H GLU 128 OK 67 100 - 67 - 3.6/7839=27, 2.9/7841=21...(7) H LEU 43 + H GLU 128 OK 26 98 - 27 - 7807/3.2=6, 6496=6...(8) H GLU 40 + H GLU 128 OK 15 57 - 26 - 2.8/1243=4, 4.0/1260=3...(11) H LEU 69 + H GLU 128 OK 13 73 - 18 - 6912/3.6=4, 6919/3.6=3...(6) H SER 99 - H GLU 128 lone 10 100 - 10 - 7807/3.2=4, 3984/7839=2...(4) Peak 7841 from nnoeabs.peaks (3.43, 7.88, 119.85 ppm; 6.10 A): 1 out of 1 assignment used, quality = 0.96: * HA VAL 126 + H GLU 128 OK 96 100 - 96 - 7859/4.2=45, 5.0/7839=30...(17) Peak 7842 from nnoeabs.peaks (8.20, 7.88, 119.85 ppm; 3.52 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 127 + H GLU 128 OK 100 100 - 100 - 3.2=100 H VAL 63 - H GLU 128 OK 29 96 - 30 - 4027/3.6=6, 4040/4.7=5...(10) Peak 7843 from nnoeabs.peaks (3.97, 7.88, 119.85 ppm; 4.27 A): 1 out of 9 assignments used, quality = 1.00: * HA GLN 127 + H GLU 128 OK 100 100 - 100 - 3.6=100 HA THR 65 - H GLU 128 OK 31 100 - 31 - 3.2/11029=12, 7812/3.2=5...(8) HB3 SER 94 - H GLU 128 OK 15 98 - 15 - 7812/3.2=3, 4051/4.7=3...(7) HB2 SER 106 - H GLU 128 OK 13 98 - 13 - 7812/3.2=3, 4041/4.7=2...(4) HB3 SER 106 - H GLU 128 lone 5 65 - 8 - ~7812=2, 7812/3.2=1...(4) HA LEU 100 - H GLU 128 lone 5 73 - 6 - 3225/11006=1, 4051/4.7=1 HA2 GLY 17 - H GLU 128 lone 4 73 - 6 - 7812/3.2=2 HA3 GLY 17 - H GLU 128 lone 4 73 - 6 - 7812/3.2=2 HB3 SER 107 - H GLU 128 lone 2 65 - 3 - Peak 7844 from nnoeabs.peaks (2.06, 7.88, 119.85 ppm; 3.22 A): 3 out of 8 assignments used, quality = 0.88: * HB2 GLN 127 + H GLU 128 OK 76 100 - 76 - 4.7=33, 1.8/4058=21...(14) HB2 LEU 62 + H GLU 128 OK 36 100 - 36 - 3.1/11006=9, ~11004=6...(11) HB3 GLN 27 + H GLU 128 OK 23 96 - 24 - 3.0/7838=5, 3.0/7846=4...(8) HG2 PRO 117 - H GLU 128 lone 9 98 - 9 - 4029/3.6=2, 7813/3.2=2...(4) HG3 PRO 117 - H GLU 128 lone 7 87 - 8 - 2.3/7846=1, 4029/3.6=1...(4) HB VAL 118 - H GLU 128 lone 7 100 - 7 - 4029/3.6=2, 7813/3.2=1 HG3 PRO 81 - H GLU 128 lone 4 92 - 5 - HG3 PRO 113 - H GLU 128 lone 4 96 - 4 - Peak 7845 from nnoeabs.peaks (2.23, 7.88, 119.85 ppm; 3.16 A): 2 out of 8 assignments used, quality = 0.97: HB3 GLU 128 + H GLU 128 OK 88 100 - 89 - 3.6=68, 1.8/4088=22...(11) * HB3 GLN 127 + H GLU 128 OK 75 100 - 75 - 4.7=31, 1.8/4048=16...(18) HB3 GLU 102 - H GLU 128 OK 30 98 - 31 - 1.8/7851=6, 3343/3.6=5...(12) HB3 GLN 104 - H GLU 128 OK 20 96 - 21 - 3.0/7853=5, 3436/4.6=4...(8) HG2 GLN 68 - H GLU 128 OK 13 92 - 14 - 4030/3.6=3, 7814/3.2=2...(6) HB2 GLN 68 - H GLU 128 OK 13 81 - 16 - 2130/3.6=4, 7814/3.2=2...(6) HG2 GLU 91 - H GLU 128 OK 12 100 - 11 - ~7809=2, ~2860=1...(5) HB3 LEU 96 - H GLU 128 lone 1 57 - 1 - Peak 7846 from nnoeabs.peaks (2.35, 7.88, 119.85 ppm; 3.66 A): 5 out of 5 assignments used, quality = 0.95: * HG2 GLN 127 + H GLU 128 OK 82 100 - 82 - 3.0/4058=20, 3.0/4048=18...(16) HG2 GLU 102 + H GLU 128 OK 31 96 - 33 - 3.0/7851=6, 3350/3.6=5...(11) HG2 GLN 27 + H GLU 128 OK 30 99 - 30 - 3.7/7838=6, 722/4.7=5...(9) HG3 GLN 27 + H GLU 128 OK 29 96 - 30 - 3.7/7838=6, 3.0/7844=4...(9) HB2 PRO 117 + H GLU 128 OK 10 81 - 13 - 2.3/7844=2, 4031/3.6=2...(6) Peak 7847 from nnoeabs.peaks (2.49, 7.88, 119.85 ppm; 5.38 A): 1 out of 1 assignment used, quality = 0.97: * HG3 GLN 127 + H GLU 128 OK 97 100 - 97 - 7816/3.2=43, 3.0/4058=34...(17) Peak 7850 from nnoeabs.peaks (4.20, 7.88, 119.85 ppm; 3.57 A): 1 out of 5 assignments used, quality = 1.00: * HA GLU 128 + H GLU 128 OK 100 100 - 100 - 2.9=100 HA VAL 105 - H GLU 128 OK 23 87 - 26 - 4097/3.6=6, 4089/3.6=5...(9) HB THR 18 - H GLU 128 lone 6 98 - 6 - 4097/3.6=1, 4089/3.6=1 HA ALA 88 - H GLU 128 lone 5 81 - 6 - 4097/3.6=1, 11590/7839=1 HB THR 25 - H GLU 128 lone 5 92 - 5 - Peak 7851 from nnoeabs.peaks (2.08, 7.88, 119.85 ppm; 3.24 A): 2 out of 7 assignments used, quality = 0.93: * HB2 GLU 128 + H GLU 128 OK 91 100 - 91 - 3.6=73, 1.8/4096=25...(11) HB2 GLU 102 + H GLU 128 OK 29 100 - 29 - 4098/3.6=5, 4079/2.9=5...(11) HB3 LYS 39 - H GLU 128 OK 14 99 - 14 - 4079/2.9=3, ~10442=2...(7) HG3 GLN 134 - H GLU 128 OK 13 100 - 13 - 4.1/7839=3, 4296/7839=2...(5) HB VAL 57 - H GLU 128 poor 10 65 - 15 - 2.1/10440=6, 4.0/7855=4...(4) HB3 GLU 44 - H GLU 128 lone 5 98 - 5 - HG3 PRO 58 - H GLU 128 lone 1 65 - 1 - Peak 7852 from nnoeabs.peaks (2.22, 7.88, 119.85 ppm; 3.16 A): 2 out of 8 assignments used, quality = 0.97: * HB3 GLU 128 + H GLU 128 OK 89 100 - 89 - 3.6=68, 1.8/4088=22...(11) HB3 GLN 127 + H GLU 128 OK 75 100 - 75 - 4.7=31, 1.8/4048=16...(18) HB3 GLU 102 - H GLU 128 OK 29 96 - 30 - 1.8/7851=6, 3343/3.6=5...(12) HB3 GLN 104 - H GLU 128 OK 21 98 - 21 - 3.0/7853=5, 3436/4.6=4...(8) HB2 GLN 68 - H GLU 128 OK 15 87 - 17 - 2130/3.6=4, 7814/3.2=2...(7) HG2 GLN 68 - H GLU 128 OK 12 87 - 14 - 4030/3.6=3, 7814/3.2=2...(6) HG2 GLU 91 - H GLU 128 OK 11 99 - 11 - ~7809=2, ~2860=1...(5) HB3 GLU 97 - H GLU 128 lone 6 65 - 10 - 2.9/7854=3, ~4082=1, 4091/3.6=1 Peak 7853 from nnoeabs.peaks (2.37, 7.88, 119.85 ppm; 3.66 A): 2 out of 2 assignments used, quality = 0.91: * HG2 GLU 128 + H GLU 128 OK 88 100 - 88 - 4.6=52, 1.8/4110=27...(10) HG2 GLN 104 + H GLU 128 OK 25 81 - 31 - 4100/3.6=9, 4081/2.9=7...(7) Peak 7854 from nnoeabs.peaks (2.42, 7.88, 119.85 ppm; 3.86 A): 1 out of 4 assignments used, quality = 0.93: * HG3 GLU 128 + H GLU 128 OK 93 100 - 93 - 4.6=61, 1.8/4103=35...(11) HG3 GLU 97 - H GLU 128 OK 24 100 - 24 - 4093/3.6=6, 4101/3.6=6...(6) HG2 GLN 101 - H GLU 128 OK 15 99 - 16 - 4101/3.6=4, 4093/3.6=4...(5) HG3 GLN 61 - H GLU 128 lone 5 73 - 6 - ~7809=2, 10987/10440=1 Peak 7855 from nnoeabs.peaks (8.00, 7.88, 119.85 ppm; 3.53 A): 2 out of 3 assignments used, quality = 0.91: * H ILE 129 + H GLU 128 OK 86 100 - 86 - 4.2=61, 7820/3.2=16...(14) H VAL 57 + H GLU 128 OK 31 96 - 33 - 4.1/10440=6, 4094/3.6=5...(10) H LYS 36 - H GLU 128 lone 8 81 - 10 - 4083/2.9=2, 4094/3.6=1...(5) Peak 7856 from nnoeabs.peaks (8.04, 7.88, 119.85 ppm; 3.55 A): 2 out of 7 assignments used, quality = 0.70: * H SER 130 + H GLU 128 OK 51 100 - 51 - 7881/4.2=17, 7879=16...(7) H CYS 125 + H GLU 128 OK 40 73 - 54 - 2.9/7839=18, 7786/3.2=11...(11) H ALA 52 - H GLU 128 lone 6 81 - 7 - 9228/11006=2...(4) H CYS 79 - H GLU 128 lone 5 73 - 6 - 7874/4.2=2, 4.3/10428=1 H TYR 76 - H GLU 128 lone 3 73 - 4 - 7874/4.2=1 H ALA 16 - H GLU 128 lone 2 92 - 2 - 7874/4.2=1 H LEU 48 - H GLU 128 lone 2 57 - 3 - Peak 7857 from nnoeabs.peaks (8.00, 8.00, 119.54 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ILE 129 + H ILE 129 OK 100 100 - 100 Peak 7858 from nnoeabs.peaks (4.35, 8.00, 119.54 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.98: * HA CYS 125 + H ILE 129 OK 95 100 - 95 - 5.0/7859=45, 3985/4.2=38...(14) HA GLN 134 + H ILE 129 OK 47 99 - 47 - 4087/4.5=17, 4095/4.5=14...(8) Peak 7859 from nnoeabs.peaks (3.43, 8.00, 119.54 ppm; 3.85 A): 1 out of 1 assignment used, quality = 0.84: * HA VAL 126 + H ILE 129 OK 84 100 - 84 - 11631/4.0=24, 4006=21...(13) Peak 7860 from nnoeabs.peaks (8.20, 8.00, 119.54 ppm; 4.84 A): 2 out of 2 assignments used, quality = 0.89: * H GLN 127 + H ILE 129 OK 86 100 - 86 - 7820=39, 3.6/7859=37...(11) H VAL 63 + H ILE 129 OK 19 96 - 20 - 7842/4.2=8, 4005/7859=4...(7) Peak 7861 from nnoeabs.peaks (3.97, 8.00, 119.54 ppm; 6.80 A): 4 out of 9 assignments used, quality = 0.95: * HA GLN 127 + H ILE 129 OK 91 100 - 91 - 4.8/7859=46, 2.9/7860=40...(9) HA THR 65 + H ILE 129 OK 22 100 - 22 - 7843/4.2=8, 7878/3.6=4...(5) HB3 SER 94 + H ILE 129 OK 14 98 - 15 - 7843/4.2=4, 7878/3.6=4...(4) HB2 SER 106 + H ILE 129 OK 11 98 - 11 - 7843/4.2=3, 7878/3.6=3 HA LEU 100 - H ILE 129 poor 8 73 - 11 - 7878/3.6=3, 7894/7896=2...(4) HA2 GLY 17 - H ILE 129 lone 5 73 - 7 - 7878/3.6=1, 7843/4.2=1 HA3 GLY 17 - H ILE 129 lone 5 73 - 7 - 7878/3.6=1, 7843/4.2=1 HB3 SER 106 - H ILE 129 lone 4 65 - 6 - 7843/4.2=1 HB3 SER 107 - H ILE 129 lone 3 65 - 5 - Peak 7862 from nnoeabs.peaks (7.88, 8.00, 119.54 ppm; 3.96 A): 1 out of 2 assignments used, quality = 0.96: * H GLU 128 + H ILE 129 OK 96 100 - 96 - 4.2=86, 3.2/7820=20...(14) H ALA 41 - H ILE 129 OK 23 87 - 27 - 4077/3.6=6, 4088/4.5=5...(9) Peak 7863 from nnoeabs.peaks (4.20, 8.00, 119.54 ppm; 5.43 A): 1 out of 5 assignments used, quality = 1.00: * HA GLU 128 + H ILE 129 OK 100 100 - 100 - 3.6=100 HA VAL 105 - H ILE 129 OK 30 87 - 35 - 4097/4.5=10, 4089/4.5=9...(8) HB THR 18 - H ILE 129 OK 11 98 - 11 - 7880/3.6=3, 4089/4.5=2...(4) HB THR 25 - H ILE 129 lone 9 92 - 10 - 7880/3.6=2, 4089/4.5=2...(5) HA ALA 88 - H ILE 129 poor 9 81 - 11 - 4097/4.5=2, 4089/4.5=2...(5) Peak 7864 from nnoeabs.peaks (2.08, 8.00, 119.54 ppm; 4.00 A): 5 out of 7 assignments used, quality = 0.95: * HB2 GLU 128 + H ILE 129 OK 88 100 - 88 - 4.5=71, 3.6/7862=21...(8) HB2 GLU 102 + H ILE 129 OK 22 100 - 22 - 4098/4.5=6, 4079/3.6=6...(6) HB3 LYS 39 + H ILE 129 OK 18 99 - 18 - ~10477=7, 4079/3.6=4...(5) HB VAL 57 + H ILE 129 OK 17 65 - 25 - 2.1/1802=7, 2.1/1807=7...(6) HG3 GLN 134 + H ILE 129 OK 13 100 - 13 - 4.1/7858=3, 4079/3.6=2...(5) HB3 GLU 44 - H ILE 129 lone 4 98 - 4 - HG3 PRO 58 - H ILE 129 lone 1 65 - 2 - Peak 7865 from nnoeabs.peaks (2.22, 8.00, 119.54 ppm; 4.42 A): 2 out of 8 assignments used, quality = 0.99: * HB3 GLU 128 + H ILE 129 OK 99 100 - 99 - 4.5=95, 1.8/4094=27...(9) HB3 GLN 127 + H ILE 129 OK 51 100 - 51 - 4058/4.2=21, 4.0/7820=21...(5) HB3 GLU 102 - H ILE 129 OK 24 96 - 25 - 3343/4.5=7, 1.8/7864=6...(7) HB3 GLN 104 - H ILE 129 OK 22 98 - 23 - 3.0/7866=6, 4080/3.6=4...(7) HG2 GLU 91 - H ILE 129 OK 13 99 - 13 - 4080/3.6=2...(6) HB2 GLN 68 - H ILE 129 OK 11 87 - 12 - 7852/4.2=2, 4080/3.6=2...(5) HG2 GLN 68 - H ILE 129 lone 8 87 - 10 - 7845/4.2=2, 4080/3.6=2...(4) HB3 GLU 97 - H ILE 129 poor 7 65 - 11 - 2.9/7867=3, 4091/4.5=2 Peak 7866 from nnoeabs.peaks (2.37, 8.00, 119.54 ppm; 5.58 A): 2 out of 2 assignments used, quality = 0.96: * HG2 GLU 128 + H ILE 129 OK 93 100 - 93 - 4103/4.2=35...(8) HG2 GLN 104 + H ILE 129 OK 36 81 - 44 - 4100/4.5=14, 4081/3.6=13...(6) Peak 7867 from nnoeabs.peaks (2.42, 8.00, 119.54 ppm; 6.80 A): 2 out of 4 assignments used, quality = 0.97: * HG3 GLU 128 + H ILE 129 OK 95 100 - 95 - 4110/4.2=38, ~10452=37...(11) HG3 GLU 97 + H ILE 129 OK 45 100 - 45 - 4082/3.6=10, 4093/4.5=10...(13) HG2 GLN 101 - H ILE 129 OK 31 99 - 31 - 4101/4.5=6, 4093/4.5=6...(9) HG3 GLN 61 - H ILE 129 poor 9 73 - 11 - 7854/4.2=2, 10987/1807=2...(5) Peak 7868 from nnoeabs.peaks (3.46, 8.00, 119.54 ppm; 3.86 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 129 + H ILE 129 OK 100 100 - 100 - 2.9=100 Peak 7869 from nnoeabs.peaks (2.00, 8.00, 119.54 ppm; 3.68 A): 1 out of 9 assignments used, quality = 0.98: * HB ILE 129 + H ILE 129 OK 98 100 - 98 - 3.8=93, 2.1/4136=22...(10) HB3 PRO 56 - H ILE 129 OK 25 99 - 25 - 1775=5, 1.8/1767=4...(11) HG2 PRO 81 - H ILE 129 OK 20 96 - 21 - 4138/4.0=5, 4119/2.9=5...(7) HG3 PRO 56 - H ILE 129 OK 19 92 - 21 - 2.3/1775=5, 2.3/1767=4...(10) HG2 PRO 56 - H ILE 129 OK 19 92 - 21 - 2.3/1775=5, 2.3/1767=4...(10) HB2 GLU 91 - H ILE 129 poor 7 73 - 10 - 2860/3.6=2, 2865/4.5=1...(4) HB3 LEU 53 - H ILE 129 poor 7 65 - 11 - 3.1/10475=2, 7883/3.6=2...(5) HB VAL 20 - H ILE 129 lone 4 100 - 3 - HB3 PRO 117 - H ILE 129 lone 4 87 - 4 - Peak 7870 from nnoeabs.peaks (0.82, 8.00, 119.54 ppm; 3.78 A): 2 out of 4 assignments used, quality = 0.99: * QG2 ILE 129 + H ILE 129 OK 97 100 - 97 - 4.0=83, 2.1/4128=23...(13) HG13 ILE 80 + H ILE 129 OK 58 99 - 58 - ~10485=14, 4120/2.9=9...(15) QG2 ILE 80 - H ILE 129 OK 32 73 - 44 - ~10485=10, 2.1/7872=7...(11) QD1 LEU 70 - H ILE 129 OK 26 98 - 27 - 10443/3.6=5, 7884/3.6=5...(10) Peak 7871 from nnoeabs.peaks (0.75, 8.00, 119.54 ppm; 3.98 A): 2 out of 5 assignments used, quality = 0.94: * HG12 ILE 129 + H ILE 129 OK 90 100 - 90 - 4.8=56, 2.1/7873=26...(10) QG1 VAL 93 + H ILE 129 OK 38 100 - 38 - 4140/4.0=8, 4132/3.8=7...(10) QD2 LEU 96 - H ILE 129 OK 25 100 - 25 - 5.1/7875=4, 4140/4.0=4...(8) QD2 LEU 43 - H ILE 129 OK 25 92 - 28 - 11091/3.6=11, 4140/4.0=4...(6) QD2 LEU 103 - H ILE 129 lone 3 65 - 4 - Peak 7872 from nnoeabs.peaks (1.74, 8.00, 119.54 ppm; 4.06 A): 2 out of 6 assignments used, quality = 0.95: * HG13 ILE 129 + H ILE 129 OK 91 100 - 91 - 4.8=59, 2.1/7873=27...(11) HB ILE 80 + H ILE 129 OK 41 81 - 51 - ~10485=12, 3.0/7870=9...(10) HB2 LYS 26 - H ILE 129 OK 20 87 - 22 - 3.0/10476=6, 4122/2.9=3...(9) HB2 LYS 31 - H ILE 129 lone 8 100 - 8 - 4122/2.9=2, 4141/4.0=1 HB2 LYS 24 - H ILE 129 lone 6 98 - 6 - 4122/2.9=1 HB2 LYS 19 - H ILE 129 lone 6 87 - 7 - 7886/3.6=2, 4122/2.9=1 Peak 7873 from nnoeabs.peaks (0.64, 8.00, 119.54 ppm; 3.89 A): 2 out of 2 assignments used, quality = 0.94: * QD1 ILE 129 + H ILE 129 OK 91 100 - 91 - 4.9=50, 4161/2.9=34...(15) QD1 LEU 42 + H ILE 129 OK 35 81 - 43 - 9083/4.0=14, 4123/2.9=10...(6) Peak 7874 from nnoeabs.peaks (8.04, 8.00, 119.54 ppm; 3.02 A): 3 out of 7 assignments used, quality = 0.83: * H SER 130 + H ILE 129 OK 77 100 - 77 - 3.6=58, 4.5/7896=9...(10) H CYS 125 + H ILE 129 OK 16 73 - 22 - 7856/4.2=5, 2.9/7858=3...(11) H CYS 79 + H ILE 129 OK 11 73 - 15 - 9700/4.8=4, 9702/2.9=3...(6) H ALA 52 - H ILE 129 lone 7 81 - 8 - 4143/4.0=1, 4135/3.8=1...(4) H TYR 76 - H ILE 129 lone 6 73 - 8 - 9609/4.9=2, 4124/2.9=1 H ALA 16 - H ILE 129 lone 6 92 - 6 - 4124/2.9=1 H LEU 48 - H ILE 129 lone 1 57 - 2 - Peak 7875 from nnoeabs.peaks (8.27, 8.00, 119.54 ppm; 5.02 A): 3 out of 4 assignments used, quality = 0.94: * H ASP 131 + H ILE 129 OK 88 100 - 88 - 7896=41, 7895/3.6=36...(9) H LEU 96 + H ILE 129 OK 41 96 - 43 - 9982/4.9=25, 7891/3.6=7...(6) H GLU 40 + H ILE 129 OK 11 57 - 20 - 4.6/7862=6, 4084/3.6=4...(7) H GLU 30 - H ILE 129 lone 2 73 - 3 - Peak 7876 from nnoeabs.peaks (8.04, 8.04, 112.76 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H SER 130 + H SER 130 OK 100 100 - 100 Peak 7877 from nnoeabs.peaks (3.43, 8.04, 112.76 ppm; 4.46 A): 1 out of 1 assignment used, quality = 0.82: * HA VAL 126 + H SER 130 OK 82 100 - 82 - 7859/3.6=33...(13) Peak 7878 from nnoeabs.peaks (3.97, 8.04, 112.76 ppm; 4.48 A): 3 out of 9 assignments used, quality = 0.88: * HA GLN 127 + H SER 130 OK 84 100 - 84 - 4036=32, 4175/3.9=23...(10) HA THR 65 + H SER 130 OK 12 100 - 12 - 4175/3.9=2, 7861/3.6=2...(7) HB3 SER 94 + H SER 130 OK 10 98 - 10 - 7894/4.5=3, 4175/3.9=2...(4) HA LEU 100 - H SER 130 poor 9 73 - 13 - 4181/3.9=3, 10039/2.9=3...(4) HB2 SER 106 - H SER 130 lone 8 98 - 8 - 4175/3.9=2, 4181/3.9=2 HA2 GLY 17 - H SER 130 lone 4 73 - 5 - HA3 GLY 17 - H SER 130 lone 4 73 - 5 - HB3 SER 106 - H SER 130 lone 3 65 - 4 - HB3 SER 107 - H SER 130 lone 2 65 - 2 - Peak 7879 from nnoeabs.peaks (7.88, 8.04, 112.76 ppm; 4.82 A): 2 out of 2 assignments used, quality = 0.77: * H GLU 128 + H SER 130 OK 73 100 - 73 - 4.2/7881=30, 7856=24...(7) H ALA 41 + H SER 130 OK 15 87 - 18 - 7862/3.6=7, 11598/7877=3...(6) Peak 7880 from nnoeabs.peaks (4.20, 8.04, 112.76 ppm; 6.80 A): 4 out of 5 assignments used, quality = 0.94: * HA GLU 128 + H SER 130 OK 91 100 - 91 - 2.9/7879=40, 3.6/7881=39...(10) HA VAL 105 + H SER 130 OK 18 87 - 21 - 7863/3.6=8, 7895/4.5=4...(6) HB THR 18 + H SER 130 OK 16 98 - 16 - 10688/10498=4...(4) HB THR 25 + H SER 130 OK 10 92 - 11 - 7895/4.5=3, 7863/3.6=3 HA ALA 88 - H SER 130 poor 10 81 - 12 - 7863/3.6=3...(4) Peak 7881 from nnoeabs.peaks (8.00, 8.04, 112.76 ppm; 3.10 A): 2 out of 3 assignments used, quality = 0.84: * H ILE 129 + H SER 130 OK 81 100 - 81 - 3.6=63, 7896/4.5=10...(11) H VAL 57 + H SER 130 OK 18 96 - 19 - 4117/3.6=4, 4136/4.2=3...(8) H LYS 36 - H SER 130 lone 4 81 - 5 - 4117/3.6=1 Peak 7882 from nnoeabs.peaks (3.46, 8.04, 112.76 ppm; 4.27 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 129 + H SER 130 OK 100 100 - 100 - 3.6=100 Peak 7883 from nnoeabs.peaks (2.00, 8.04, 112.76 ppm; 3.80 A): 4 out of 9 assignments used, quality = 0.91: * HB ILE 129 + H SER 130 OK 86 100 - 86 - 4.6=57, 3.8/7881=22...(11) HB3 PRO 56 + H SER 130 OK 16 99 - 16 - 3.9/7881=5, 1775/3.6=5...(4) HG2 PRO 81 + H SER 130 OK 15 96 - 16 - 4138/4.2=5, 4119/3.6=4...(4) HB3 LEU 53 + H SER 130 OK 12 65 - 19 - 3.1/10497=7, 3.1/11728=4...(6) HG3 PRO 56 - H SER 130 lone 7 92 - 8 - 7869/3.6=2, 4119/3.6=2 HG2 PRO 56 - H SER 130 lone 7 92 - 8 - 7869/3.6=2, 4119/3.6=2 HB VAL 20 - H SER 130 lone 5 100 - 5 - 10711/10498=2 HB2 GLU 91 - H SER 130 lone 4 73 - 5 - 4007/7877=1 HB3 PRO 117 - H SER 130 lone 3 87 - 3 - Peak 7884 from nnoeabs.peaks (0.82, 8.04, 112.76 ppm; 3.71 A): 3 out of 4 assignments used, quality = 0.96: * QG2 ILE 129 + H SER 130 OK 90 100 - 90 - 4.2=67, 4.0/7881=19...(13) HG13 ILE 80 + H SER 130 OK 43 99 - 43 - ~9726=9, 4120/3.6=7...(11) QD1 LEU 70 + H SER 130 OK 39 98 - 40 - 11101/2.9=15...(7) QG2 ILE 80 - H SER 130 OK 24 73 - 33 - ~9726=7, 4120/3.6=5...(10) Peak 7885 from nnoeabs.peaks (0.75, 8.04, 112.76 ppm; 4.13 A): 3 out of 5 assignments used, quality = 0.94: * HG12 ILE 129 + H SER 130 OK 76 100 - 76 - 2.1/7887=22, 2.9/7883=19...(11) QD2 LEU 43 + H SER 130 OK 62 92 - 68 - 11091=16, 11747/2.9=15...(16) QG1 VAL 93 + H SER 130 OK 35 100 - 35 - 4140/4.2=8, 4132/4.6=6...(10) QD2 LEU 96 - H SER 130 OK 27 100 - 27 - 3091/4.5=5, 7871/3.6=4...(9) QD2 LEU 103 - H SER 130 lone 2 65 - 3 - Peak 7886 from nnoeabs.peaks (1.74, 8.04, 112.76 ppm; 5.72 A): 2 out of 6 assignments used, quality = 0.96: * HG13 ILE 129 + H SER 130 OK 91 100 - 91 - 2.1/7887=33, 4.8/7881=33...(15) HB ILE 80 + H SER 130 OK 51 81 - 64 - ~9726=18, 4141/4.2=13...(11) HB2 LYS 19 - H SER 130 OK 20 87 - 23 - 3.0/10498=16, 4122/3.6=2...(5) HB2 LYS 26 - H SER 130 OK 19 87 - 22 - 4122/3.6=5, 7872/3.6=5...(5) HB2 LYS 31 - H SER 130 OK 12 100 - 12 - 4122/3.6=2, 7872/3.6=2...(4) HB2 LYS 24 - H SER 130 lone 10 98 - 9 - 4122/3.6=2, 7872/3.6=2...(5) Peak 7887 from nnoeabs.peaks (0.64, 8.04, 112.76 ppm; 4.47 A): 2 out of 2 assignments used, quality = 0.95: * QD1 ILE 129 + H SER 130 OK 91 100 - 91 - 4161/3.6=36, 7873/3.6=23...(17) QD1 LEU 42 + H SER 130 OK 44 81 - 54 - 9083/4.2=17, 4123/3.6=11...(10) Peak 7888 from nnoeabs.peaks (3.78, 8.04, 112.76 ppm; 3.18 A): 2 out of 3 assignments used, quality = 1.00: * HA SER 130 + H SER 130 OK 100 100 - 100 - 2.9=100 HB3 SER 130 + H SER 130 OK 52 73 - 71 - 3.9=53, 1.8/7889=27...(6) HA LEU 43 - H SER 130 OK 22 100 - 22 - 3.9/11091=7, 9731/4.2=4...(7) Peak 7889 from nnoeabs.peaks (3.82, 8.04, 112.76 ppm; 3.27 A): 2 out of 3 assignments used, quality = 0.76: * HB2 SER 130 + H SER 130 OK 72 100 - 72 - 3.9=57, 1.8/4182=19...(5) HD3 PRO 58 + H SER 130 OK 14 99 - 14 - 4170/2.9=5, 4184/3.9=4...(4) HA VAL 118 - H SER 130 lone 4 87 - 4 - 4170/2.9=1, 4184/3.9=1 Peak 7890 from nnoeabs.peaks (3.77, 8.04, 112.76 ppm; 3.18 A): 4 out of 4 assignments used, quality = 0.95: HA SER 130 + H SER 130 OK 73 73 - 100 - 2.9=100 * HB3 SER 130 + H SER 130 OK 72 100 - 72 - 3.9=53, 1.8/7889=27...(8) HA VAL 133 + H SER 130 OK 19 81 - 23 - ~11744=6, ~4174=5...(6) HA LEU 43 + H SER 130 OK 16 81 - 20 - 3.9/11091=7, 9731/4.2=3...(7) Peak 7891 from nnoeabs.peaks (8.27, 8.04, 112.76 ppm; 3.70 A): 2 out of 4 assignments used, quality = 0.88: * H ASP 131 + H SER 130 OK 86 100 - 86 - 4.5=55, 7900/3.9=19...(12) H LEU 96 + H SER 130 OK 20 96 - 21 - 7875/3.6=5, 9982/7887=4...(5) H GLU 40 - H SER 130 lone 5 57 - 8 - 4.6/7879=2, 7875/3.6=1 H GLU 30 - H SER 130 lone 2 73 - 2 - Peak 7892 from nnoeabs.peaks (8.47, 8.04, 112.76 ppm; 5.97 A): 2 out of 2 assignments used, quality = 0.94: * H VAL 132 + H SER 130 OK 90 100 - 90 - 7909/3.6=44, 3.3/7891=37...(10) H LEU 70 + H SER 130 OK 35 81 - 43 - 4125/3.6=11, 7905/4.5=10...(9) Peak 7893 from nnoeabs.peaks (8.27, 8.27, 119.63 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASP 131 + H ASP 131 OK 100 100 - 100 Peak 7894 from nnoeabs.peaks (3.97, 8.27, 119.63 ppm; 4.37 A): 3 out of 9 assignments used, quality = 0.73: * HA GLN 127 + H ASP 131 OK 62 100 - 63 - 4.9/7895=22, 4175/4.6=18...(9) HB3 SER 94 + H ASP 131 OK 16 98 - 16 - 3.6/7288=6, 4.4/7307=5...(5) HA LEU 100 + H ASP 131 OK 13 73 - 18 - 4.0/10043=9, 10039/3.6=3...(5) HA THR 65 - H ASP 131 lone 7 100 - 7 - 7878/4.5=2, 4175/4.6=2 HB2 SER 106 - H ASP 131 lone 6 98 - 6 - 4175/4.6=2, 4181/4.6=1 HA2 GLY 17 - H ASP 131 lone 3 73 - 3 - HA3 GLY 17 - H ASP 131 lone 3 73 - 3 - HB3 SER 106 - H ASP 131 lone 2 65 - 3 - HB3 SER 107 - H ASP 131 lone 2 65 - 3 - Peak 7895 from nnoeabs.peaks (4.20, 8.27, 119.63 ppm; 2.80 A): 0 out of 5 assignments used, low quality = 0.44: ! HA GLU 128 - H ASP 131 OK 44 100 - 44 - 4086/3.8=10, 3.6/7896=10...(8) HA VAL 105 - H ASP 131 lone 5 87 - 6 - 4201/3.8=2, 4195/3.8=2 HB THR 25 - H ASP 131 lone 4 92 - 4 - 10692/10510=2 HB THR 18 - H ASP 131 lone 3 98 - 3 - HA ALA 88 - H ASP 131 lone 1 81 - 2 - Peak 7896 from nnoeabs.peaks (8.00, 8.27, 119.63 ppm; 3.89 A): 2 out of 3 assignments used, quality = 0.70: * H ILE 129 + H ASP 131 OK 66 100 - 66 - 3.6/7895=26, 3.6/7891=20...(8) H VAL 57 + H ASP 131 OK 12 96 - 13 - 7881/4.5=4, 4.8/7900=3...(5) H LYS 36 - H ASP 131 lone 3 81 - 3 - Peak 7897 from nnoeabs.peaks (3.46, 8.27, 119.63 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.94: * HA ILE 129 + H ASP 131 OK 94 100 - 94 - 7909/3.3=49, 2.9/7896=41...(12) Peak 7898 from nnoeabs.peaks (8.04, 8.27, 119.63 ppm; 3.57 A): 3 out of 7 assignments used, quality = 0.87: * H SER 130 + H ASP 131 OK 82 100 - 82 - 4.5=49, 3.9/7900=18...(12) H TYR 76 + H ASP 131 OK 17 73 - 23 - 11646/3.8=5, 3.0/7902=5...(8) H ALA 16 + H ASP 131 OK 15 92 - 16 - 7910/3.3=3...(4) H CYS 125 - H ASP 131 lone 6 73 - 8 - 7874/7896=1, 4182/4.6=1 H ALA 52 - H ASP 131 lone 6 81 - 7 - 4168/3.6=1 H CYS 79 - H ASP 131 lone 5 73 - 7 - H LEU 48 - H ASP 131 lone 3 57 - 6 - 4.8/10512=1, 9191/9190=1 Peak 7899 from nnoeabs.peaks (3.78, 8.27, 119.63 ppm; 3.39 A): 2 out of 3 assignments used, quality = 0.96: * HA SER 130 + H ASP 131 OK 93 100 - 93 - 3.6=85, 3.0/7900=21...(13) HB3 SER 130 + H ASP 131 OK 49 73 - 66 - 4.6=39, 1.8/7900=29...(8) HA LEU 43 - H ASP 131 OK 25 100 - 25 - 3.7/10510=17...(4) Peak 7900 from nnoeabs.peaks (3.82, 8.27, 119.63 ppm; 3.34 A): 2 out of 3 assignments used, quality = 0.69: * HB2 SER 130 + H ASP 131 OK 64 100 - 64 - 4.6=38, 3.0/7899=14...(7) HD3 PRO 58 + H ASP 131 OK 13 99 - 14 - 4170/3.6=5, 4184/4.6=3...(4) HA VAL 118 - H ASP 131 lone 3 87 - 4 - 4170/3.6=1 Peak 7901 from nnoeabs.peaks (3.77, 8.27, 119.63 ppm; 3.39 A): 4 out of 4 assignments used, quality = 0.94: HA SER 130 + H ASP 131 OK 68 73 - 93 - 3.6=85, 3.0/7900=21...(13) * HB3 SER 130 + H ASP 131 OK 68 100 - 68 - 4.6=39, 1.8/7900=29...(7) HA VAL 133 + H ASP 131 OK 32 81 - 40 - 3.0/7906=14, 3.2/10563=8...(10) HA LEU 43 + H ASP 131 OK 19 81 - 23 - 3.7/10510=17...(4) Peak 7902 from nnoeabs.peaks (4.31, 8.27, 119.63 ppm; 3.48 A): 1 out of 3 assignments used, quality = 1.00: * HA ASP 131 + H ASP 131 OK 100 100 - 100 - 2.9=100 HA TYR 76 - H ASP 131 OK 20 96 - 21 - 7913/3.3=4, 3.0/7898=3...(8) HA2 GLY 75 - H ASP 131 lone 5 57 - 9 - 3.5/7898=3, 4203/3.8=2 Peak 7903 from nnoeabs.peaks (2.77, 8.27, 119.63 ppm; 3.27 A): 1 out of 2 assignments used, quality = 0.85: * HB2 ASP 131 + H ASP 131 OK 85 100 - 85 - 3.8=62, 1.8/7904=35...(8) HB3 ASN 13 - H ASP 131 lone 9 100 - 9 - 4189/2.9=3, 7914/3.3=2...(4) Peak 7904 from nnoeabs.peaks (2.87, 8.27, 119.63 ppm; 3.25 A): 1 out of 2 assignments used, quality = 0.85: * HB3 ASP 131 + H ASP 131 OK 85 100 - 85 - 3.8=61, 1.8/7903=31...(9) HB3 ASN 59 - H ASP 131 lone 1 65 - 1 - Peak 7905 from nnoeabs.peaks (8.47, 8.27, 119.63 ppm; 3.36 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 132 + H ASP 131 OK 100 100 - 100 - 3.3=100 H LEU 70 - H ASP 131 OK 27 81 - 34 - 4.3/10513=11, 4191/2.9=3...(13) Peak 7906 from nnoeabs.peaks (8.14, 8.27, 119.63 ppm; 3.80 A): 3 out of 5 assignments used, quality = 0.74: * H VAL 133 + H ASP 131 OK 66 100 - 66 - 7925=18, 4.4/10511=14...(14) H ASP 71 + H ASP 131 OK 14 73 - 19 - 3.4/7905=6, 7920/3.3=4...(6) H LEU 22 + H ASP 131 OK 10 98 - 10 - 7920/3.3=3, 11644/3.8=2...(4) H ALA 15 - H ASP 131 lone 8 98 - 8 - 7920/3.3=2, 4.6/7898=2 H ILE 32 - H ASP 131 lone 7 92 - 8 - 7920/3.3=2 Peak 7907 from nnoeabs.peaks (8.47, 8.47, 118.09 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 132 + H VAL 132 OK 100 100 - 100 Peak 7908 from nnoeabs.peaks (4.20, 8.47, 118.09 ppm; 4.98 A): 2 out of 5 assignments used, quality = 0.85: * HA GLU 128 + H VAL 132 OK 83 100 - 83 - 7895/3.3=37, 4086/4.7=29...(7) HA VAL 105 + H VAL 132 OK 14 87 - 16 - 4201/4.7=5, 4195/4.7=5...(4) HB THR 25 - H VAL 132 lone 8 92 - 8 - 7895/3.3=3, 4195/4.7=2 HB THR 18 - H VAL 132 lone 7 98 - 7 - 7895/3.3=2, 4201/4.7=2 HA ALA 88 - H VAL 132 lone 7 81 - 8 - 11292/11647=4, 7895/3.3=1 Peak 7909 from nnoeabs.peaks (3.46, 8.47, 118.09 ppm; 4.45 A): 1 out of 1 assignment used, quality = 0.82: * HA ILE 129 + H VAL 132 OK 82 100 - 82 - 4213/3.8=27, 7923/3.3=21...(11) Peak 7910 from nnoeabs.peaks (8.04, 8.47, 118.09 ppm; 4.68 A): 3 out of 7 assignments used, quality = 0.88: * H SER 130 + H VAL 132 OK 77 100 - 77 - 3.6/7909=31, 7891/3.3=30...(10) H ALA 16 + H VAL 132 OK 29 92 - 31 - 10674/4.0=11...(6) H TYR 76 + H VAL 132 OK 23 73 - 31 - 11646/4.7=8, 3.0/7913=7...(9) H CYS 79 - H VAL 132 lone 6 73 - 9 - 9702/7909=2...(4) H ALA 52 - H VAL 132 lone 5 81 - 6 - 11652/4.0=2, 7898/3.3=2 H CYS 125 - H VAL 132 lone 4 73 - 6 - 7898/3.3=2, 4124/7909=1 H LEU 48 - H VAL 132 lone 2 57 - 3 - Peak 7912 from nnoeabs.peaks (8.27, 8.47, 118.09 ppm; 3.63 A): 1 out of 4 assignments used, quality = 1.00: * H ASP 131 + H VAL 132 OK 100 100 - 100 - 3.3=100 H LEU 96 - H VAL 132 OK 25 96 - 26 - 9985/4.7=5, 7925/3.3=4...(10) H GLU 40 - H VAL 132 poor 10 57 - 17 - 11651/4.0=4, 11648/3.8=3...(7) H GLU 30 - H VAL 132 lone 5 73 - 6 - 4187/3.6=2, 5.1/7917=1 Peak 7913 from nnoeabs.peaks (4.31, 8.47, 118.09 ppm; 4.42 A): 1 out of 3 assignments used, quality = 1.00: * HA ASP 131 + H VAL 132 OK 100 100 - 100 - 3.6=100 HA TYR 76 - H VAL 132 OK 29 96 - 30 - 7902/3.3=6...(8) HA2 GLY 75 - H VAL 132 poor 6 57 - 11 - 3.5/7910=4, 4203/4.7=2...(4) Peak 7914 from nnoeabs.peaks (2.77, 8.47, 118.09 ppm; 3.58 A): 2 out of 2 assignments used, quality = 0.90: * HB2 ASP 131 + H VAL 132 OK 89 100 - 89 - 4.7=45, 1.8/7915=34...(14) HB3 ASN 13 + H VAL 132 OK 10 100 - 10 - 7903/3.3=3, 4189/3.6=3...(4) Peak 7915 from nnoeabs.peaks (2.87, 8.47, 118.09 ppm; 3.75 A): 1 out of 2 assignments used, quality = 0.92: * HB3 ASP 131 + H VAL 132 OK 92 100 - 92 - 4.7=52, 1.8/7914=35...(14) HB3 ASN 59 - H VAL 132 lone 1 65 - 2 - Peak 7916 from nnoeabs.peaks (3.52, 8.47, 118.09 ppm; 3.75 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 132 + H VAL 132 OK 100 100 - 100 - 3.0=100 Peak 7917 from nnoeabs.peaks (2.28, 8.47, 118.09 ppm; 3.30 A): 2 out of 5 assignments used, quality = 0.94: * HB VAL 132 + H VAL 132 OK 93 100 - 93 - 3.8=63, 2.1/4226=28...(17) HB3 PRO 113 + H VAL 132 OK 10 87 - 12 - 4209/3.0=3, 4228/4.0=3...(6) HG2 GLU 30 - H VAL 132 poor 10 81 - 12 - 7929/3.3=2...(7) HG2 GLN 61 - H VAL 132 lone 6 100 - 6 - 4209/3.0=1, 4222/4.0=1...(4) HG2 GLU 97 - H VAL 132 lone 6 65 - 8 - 7929/3.3=3, 10004/10522=2 Peak 7918 from nnoeabs.peaks (1.13, 8.47, 118.09 ppm; 2.89 A): 3 out of 4 assignments used, quality = 0.95: * QG1 VAL 132 + H VAL 132 OK 85 100 - 85 - 4.0=38, 2.1/4226=22...(20) QG2 VAL 132 + H VAL 132 OK 57 73 - 78 - 4.0=37, 2.1/7917=19...(16) HG2 LYS 39 + H VAL 132 OK 13 96 - 14 - 4210/3.0=3, 4217/3.8=2...(6) QG2 THR 115 - H VAL 132 lone 2 96 - 2 - Peak 7919 from nnoeabs.peaks (1.14, 8.47, 118.09 ppm; 2.89 A): 3 out of 5 assignments used, quality = 0.94: * QG2 VAL 132 + H VAL 132 OK 82 100 - 82 - 4.0=37, 4227/3.0=21...(18) QG1 VAL 132 + H VAL 132 OK 59 73 - 81 - 4.0=38, 2.1/4226=22...(19) HG2 LYS 39 + H VAL 132 OK 11 96 - 12 - 4211/3.0=3, 7931/3.3=2...(5) HB3 LEU 62 - H VAL 132 lone 6 87 - 7 - 1.8/10525=1, ~10582=1 QG2 THR 115 - H VAL 132 lone 2 96 - 2 - Peak 7920 from nnoeabs.peaks (8.14, 8.47, 118.09 ppm; 3.53 A): 1 out of 5 assignments used, quality = 1.00: * H VAL 133 + H VAL 132 OK 100 100 - 100 - 3.3=100 H ASP 71 - H VAL 132 OK 24 73 - 32 - 6959=3, 3.6/2223=3...(14) H LEU 22 - H VAL 132 OK 18 98 - 18 - 4.9/10522=3, 7906/3.3=2...(9) H ALA 15 - H VAL 132 OK 13 98 - 14 - 4.6/7910=3, 4225/4.0=2...(6) H ILE 32 - H VAL 132 OK 10 92 - 11 - 7906/3.3=2, 4225/4.0=1...(5) Peak 7921 from nnoeabs.peaks (7.49, 8.47, 118.09 ppm; 4.98 A): 2 out of 3 assignments used, quality = 0.90: * H GLN 134 + H VAL 132 OK 86 100 - 86 - 7936/3.3=29, 7941/3.0=29...(8) H LEU 42 + H VAL 132 OK 28 100 - 29 - 7936/3.3=12, 4192/3.6=6...(6) HE22 GLN 127 - H VAL 132 lone 5 65 - 7 - 4.5/10525=3, 7936/3.3=1 Peak 7922 from nnoeabs.peaks (8.14, 8.14, 117.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 133 + H VAL 133 OK 100 100 - 100 Peak 7923 from nnoeabs.peaks (3.46, 8.14, 117.00 ppm; 5.65 A): 1 out of 1 assignment used, quality = 0.78: * HA ILE 129 + H VAL 133 OK 78 100 - 78 - 7909/3.3=42, 4213/4.7=35...(7) Peak 7925 from nnoeabs.peaks (8.27, 8.14, 117.00 ppm; 4.57 A): 3 out of 4 assignments used, quality = 0.89: * H ASP 131 + H VAL 133 OK 82 100 - 82 - 7906=31, 10511/4.4=20...(15) H LEU 96 + H VAL 133 OK 30 96 - 31 - 10563/4.0=7, 11665/4.0=7...(7) H GLU 40 + H VAL 133 OK 16 57 - 27 - 11651/4.2=7, 11665/4.0=6...(6) H GLU 30 - H VAL 133 lone 6 73 - 9 - 5.1/7929=3, 4.6/6339=2...(4) Peak 7926 from nnoeabs.peaks (4.31, 8.14, 117.00 ppm; 6.80 A): 2 out of 3 assignments used, quality = 0.98: * HA ASP 131 + H VAL 133 OK 96 100 - 96 - ~7915=37, ~7914=35...(13) HA TYR 76 + H VAL 133 OK 62 96 - 64 - 11134/4.0=37...(10) HA2 GLY 75 - H VAL 133 poor 9 57 - 15 - 10350/10580=7...(4) Peak 7927 from nnoeabs.peaks (8.47, 8.14, 117.00 ppm; 3.72 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 132 + H VAL 133 OK 100 100 - 100 - 3.3=100 H LEU 70 - H VAL 133 OK 39 81 - 48 - 4207/3.6=6, 4220/4.2=5...(24) Peak 7928 from nnoeabs.peaks (3.52, 8.14, 117.00 ppm; 4.71 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 132 + H VAL 133 OK 100 100 - 100 - 3.6=100 Peak 7929 from nnoeabs.peaks (2.28, 8.14, 117.00 ppm; 3.73 A): 4 out of 5 assignments used, quality = 0.93: * HB VAL 132 + H VAL 133 OK 88 100 - 88 - 4.7=51, 7917/3.3=22...(12) HG2 GLU 97 + H VAL 133 OK 23 65 - 35 - 10004/4.0=10, ~3141=6...(8) HG2 GLU 30 + H VAL 133 OK 15 81 - 19 - 11669/4.0=6, 11670/4.0=5...(7) HB3 PRO 113 + H VAL 133 OK 13 87 - 15 - 4209/3.6=3, 2.3/10582=3...(5) HG2 GLN 61 - H VAL 133 lone 8 100 - 8 - 4209/3.6=2, 4222/4.2=2...(5) Peak 7930 from nnoeabs.peaks (1.13, 8.14, 117.00 ppm; 3.49 A): 2 out of 4 assignments used, quality = 0.97: * QG1 VAL 132 + H VAL 133 OK 92 100 - 92 - 4.2=56, 4221/3.6=25...(20) QG2 VAL 132 + H VAL 133 OK 64 73 - 87 - 4.4=51, 2.1/7929=18...(15) HG2 LYS 39 - H VAL 133 OK 20 96 - 21 - 11680/4.0=4, 11798/4.0=4...(7) QG2 THR 115 - H VAL 133 lone 4 96 - 4 - Peak 7931 from nnoeabs.peaks (1.14, 8.14, 117.00 ppm; 3.49 A): 2 out of 5 assignments used, quality = 0.97: * QG2 VAL 132 + H VAL 133 OK 91 100 - 91 - 4.4=51, 4227/3.6=25...(16) QG1 VAL 132 + H VAL 133 OK 65 73 - 89 - 4.2=56, 2.1/7929=18...(17) HG2 LYS 39 - H VAL 133 OK 21 96 - 22 - 11680/4.0=6, 11799/3.0=4...(6) HB3 LEU 62 - H VAL 133 poor 10 87 - 11 - 1.8/10582=3, ~10525=1...(6) QG2 THR 115 - H VAL 133 lone 4 96 - 4 - Peak 7932 from nnoeabs.peaks (3.77, 8.14, 117.00 ppm; 3.56 A): 1 out of 4 assignments used, quality = 1.00: * HA VAL 133 + H VAL 133 OK 100 100 - 100 - 3.0=100 HA GLU 97 - H VAL 133 OK 38 92 - 41 - 10000/4.0=16, 4252/4.0=6...(9) HB3 SER 130 - H VAL 133 OK 27 81 - 33 - 4.6/7906=10, 3.0/4173=7...(9) HB2 SER 99 - H VAL 133 lone 2 73 - 3 - Peak 7933 from nnoeabs.peaks (2.19, 8.14, 117.00 ppm; 3.50 A): 2 out of 2 assignments used, quality = 0.93: * HB VAL 133 + H VAL 133 OK 91 100 - 91 - 4.0=68, 2.1/7935=36...(12) HB2 GLN 104 + H VAL 133 OK 19 100 - 19 - 4234/3.0=6, 4247/4.0=5...(4) Peak 7934 from nnoeabs.peaks (0.84, 8.14, 117.00 ppm; 3.47 A): 2 out of 2 assignments used, quality = 0.96: * QG1 VAL 133 + H VAL 133 OK 93 100 - 93 - 4.0=66, 2.1/7935=36...(14) QD2 LEU 22 + H VAL 133 OK 43 92 - 47 - 2.1/392=8, 4235/3.0=8...(12) Peak 7935 from nnoeabs.peaks (1.04, 8.14, 117.00 ppm; 3.27 A): 1 out of 1 assignment used, quality = 0.86: * QG2 VAL 133 + H VAL 133 OK 86 100 - 86 - 4.0=53, 2.1/7933=24...(12) Peak 7936 from nnoeabs.peaks (7.49, 8.14, 117.00 ppm; 3.63 A): 2 out of 3 assignments used, quality = 0.87: * H GLN 134 + H VAL 133 OK 81 100 - 81 - 4.6=48, 4.4/7935=20...(11) H LEU 42 + H VAL 133 OK 33 100 - 33 - 4256/4.0=8, 4250/4.0=7...(7) HE22 GLN 127 - H VAL 133 lone 3 65 - 4 - 4.5/10582=1 Peak 7937 from nnoeabs.peaks (7.49, 7.49, 116.34 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLN 134 + H GLN 134 OK 100 100 - 100 Peak 7938 from nnoeabs.peaks (3.78, 7.49, 116.34 ppm; 4.15 A): 2 out of 3 assignments used, quality = 0.68: * HA SER 130 + H GLN 134 OK 51 100 - 51 - 11744/4.4=18...(9) HA LEU 43 + H GLN 134 OK 35 100 - 35 - 2.8/6498=10, ~11683=10...(5) HB3 SER 130 - H GLN 134 poor 9 73 - 13 - 10494/6.9=5, 10495/6.9=3...(4) Peak 7939 from nnoeabs.peaks (4.31, 7.49, 116.34 ppm; 4.01 A): 2 out of 3 assignments used, quality = 0.76: * HA ASP 131 + H GLN 134 OK 63 100 - 63 - 4192=20, 3.6/7921=14...(7) HA TYR 76 + H GLN 134 OK 35 96 - 36 - 11134/4.4=12, 4276/4.0=7...(9) HA2 GLY 75 - H GLN 134 lone 2 57 - 4 - 10350/10593=2 Peak 7940 from nnoeabs.peaks (8.47, 7.49, 116.34 ppm; 5.54 A): 2 out of 2 assignments used, quality = 0.95: * H VAL 132 + H GLN 134 OK 92 100 - 92 - 7921=36, 3.0/7941=35...(8) H LEU 70 + H GLN 134 OK 40 81 - 49 - 7927/4.6=11...(10) Peak 7941 from nnoeabs.peaks (3.52, 7.49, 116.34 ppm; 5.54 A): 1 out of 1 assignment used, quality = 0.76: * HA VAL 132 + H GLN 134 OK 76 100 - 76 - 10624/4.7=34...(5) Peak 7942 from nnoeabs.peaks (8.14, 7.49, 116.34 ppm; 3.65 A): 4 out of 5 assignments used, quality = 0.89: * H VAL 133 + H GLN 134 OK 82 100 - 82 - 4.6=49, 7935/4.4=20...(11) H LEU 22 + H GLN 134 OK 20 98 - 21 - 6191/4.3=6, 4232/3.6=4...(6) H ASP 71 + H GLN 134 OK 14 73 - 19 - 3.4/7940=4, 4251/4.4=3...(8) H ILE 32 + H GLN 134 OK 14 92 - 15 - 5.2/10606=3, 4251/4.4=2...(7) H ALA 15 - H GLN 134 lone 7 98 - 7 - 4232/3.6=1, 4245/4.3=1 Peak 7943 from nnoeabs.peaks (3.77, 7.49, 116.34 ppm; 4.18 A): 1 out of 4 assignments used, quality = 1.00: * HA VAL 133 + H GLN 134 OK 100 100 - 100 - 3.6=100 HA GLU 97 - H GLN 134 OK 36 92 - 39 - 10000/4.3=20, 4252/4.4=7...(5) HB3 SER 130 - H GLN 134 OK 31 81 - 39 - 3.0/7938=16, 10494/6.9=6...(9) HB2 SER 99 - H GLN 134 lone 2 73 - 3 - Peak 7944 from nnoeabs.peaks (2.19, 7.49, 116.34 ppm; 4.10 A): 2 out of 2 assignments used, quality = 0.94: * HB VAL 133 + H GLN 134 OK 92 100 - 92 - 4.6=72, 2.1/7946=36...(7) HB2 GLN 104 + H GLN 134 OK 24 100 - 24 - 4234/3.6=7, 4247/4.3=6...(5) Peak 7945 from nnoeabs.peaks (0.84, 7.49, 116.34 ppm; 4.06 A): 1 out of 2 assignments used, quality = 0.97: * QG1 VAL 133 + H GLN 134 OK 97 100 - 97 - 4.3=83, 2.1/7946=36...(14) QD2 LEU 22 - H GLN 134 OK 29 92 - 31 - 4235/3.6=8, 7934/4.6=7...(8) Peak 7946 from nnoeabs.peaks (1.04, 7.49, 116.34 ppm; 4.06 A): 1 out of 1 assignment used, quality = 0.97: * QG2 VAL 133 + H GLN 134 OK 97 100 - 97 - 4.4=79, 2.1/7944=28...(17) Peak 7947 from nnoeabs.peaks (4.35, 7.49, 116.34 ppm; 3.58 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 134 + H GLN 134 OK 100 100 - 100 - 3.0=100 HA CYS 125 - H GLN 134 OK 35 99 - 35 - 4278/4.0=6, 4268/4.0=6...(13) Peak 7948 from nnoeabs.peaks (2.02, 7.49, 116.34 ppm; 3.55 A): 2 out of 7 assignments used, quality = 0.95: * HB2 GLN 134 + H GLN 134 OK 92 100 - 92 - 4.0=68, 2.9/7950=26...(13) HB2 GLU 44 + H GLN 134 OK 39 98 - 40 - 1.8/7951=7, 4259/3.0=6...(14) HG2 ARG 90 - H GLN 134 OK 28 99 - 29 - 11846/4.4=12, ~11683=4...(9) HB3 GLU 30 - H GLN 134 OK 24 100 - 24 - 772/4.0=5, 4259/3.0=4...(8) HG2 PRO 58 - H GLN 134 poor 9 87 - 10 - 4259/3.0=2, 4279/4.0=1...(4) HB VAL 63 - H GLN 134 lone 4 100 - 4 - HB3 MET 11 - H GLN 134 lone 3 99 - 3 - Peak 7949 from nnoeabs.peaks (2.33, 7.49, 116.34 ppm; 3.69 A): 1 out of 5 assignments used, quality = 0.95: * HB3 GLN 134 + H GLN 134 OK 95 100 - 95 - 4.0=76, 2.9/7950=28...(13) HG2 GLU 44 - H GLN 134 OK 26 73 - 36 - 3.0/7951=6, 3.0/7948=6...(13) HG3 GLU 30 - H GLN 134 OK 24 99 - 25 - 4260/3.0=5, 784/4.0=5...(10) HB VAL 77 - H GLN 134 OK 13 92 - 15 - 4260/3.0=3, 4270/4.0=3...(5) HG3 GLN 68 - H GLN 134 lone 8 87 - 9 - 4260/3.0=2, 4270/4.0=2...(6) Peak 7950 from nnoeabs.peaks (2.65, 7.49, 116.34 ppm; 3.71 A): 1 out of 1 assignment used, quality = 0.89: * HG2 GLN 134 + H GLN 134 OK 89 100 - 89 - 4.9=42, 4261/3.0=28...(12) Peak 7951 from nnoeabs.peaks (2.08, 7.49, 116.34 ppm; 3.60 A): 3 out of 7 assignments used, quality = 0.96: * HG3 GLN 134 + H GLN 134 OK 91 100 - 91 - 4.9=39, 1.8/7950=35...(14) HB3 GLU 44 + H GLN 134 OK 40 96 - 42 - 1.8/7948=7, 4262/3.0=7...(13) HB2 GLU 128 + H GLN 134 OK 36 100 - 36 - 11623/4.3=15, 4087/3.0=8...(8) HB3 LYS 39 - H GLN 134 OK 16 98 - 16 - 3.0/1146=4, 7977/4.7=2...(7) HB2 GLU 102 - H GLN 134 lone 7 100 - 7 - 4262/3.0=1 HG3 PRO 58 - H GLN 134 lone 5 57 - 9 - 1.8/7948=2, 4272/4.0=1...(5) HB VAL 57 - H GLN 134 lone 1 73 - 1 - Peak 7952 from nnoeabs.peaks (6.89, 7.49, 116.34 ppm; 5.95 A): 1 out of 2 assignments used, quality = 0.97: * HE21 GLN 134 + H GLN 134 OK 97 100 - 97 - 6.9=63, 3.5/7950=48...(10) HE21 GLN 61 - H GLN 134 OK 12 73 - 17 - 9381/4.3=7, 4263/3.0=3...(4) Peak 7954 from nnoeabs.peaks (7.31, 7.49, 116.34 ppm; 3.26 A): 3 out of 3 assignments used, quality = 0.78: * H ARG 135 + H GLN 134 OK 71 100 - 71 - 7972=35, 4.9/7950=12...(11) QD PHE 87 + H GLN 134 OK 13 92 - 14 - 10560/3.6=3, 4265/3.0=2...(8) HZ PHE 89 + H GLN 134 OK 12 81 - 15 - 10553/4.4=6, 10548/4.6=2...(7) Peak 7955 from nnoeabs.peaks (6.89, 6.89, 112.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 134 + HE21 GLN 134 OK 100 100 - 100 Peak 7956 from nnoeabs.peaks (7.49, 6.89, 112.66 ppm; 4.80 A): 2 out of 3 assignments used, quality = 0.96: * H GLN 134 + HE21 GLN 134 OK 89 100 - 89 - 7950/3.5=38, 6.9=33...(9) H LEU 42 + HE21 GLN 134 OK 63 100 - 63 - 7964/1.7=20, ~9113=17...(7) HE22 GLN 127 - HE21 GLN 134 lone 5 65 - 7 - 7964/1.7=1, 4295/3.5=1 Peak 7957 from nnoeabs.peaks (4.35, 6.89, 112.66 ppm; 4.67 A): 2 out of 2 assignments used, quality = 0.97: * HA GLN 134 + HE21 GLN 134 OK 95 100 - 95 - 5.4=64, 4261/3.5=37...(11) HA CYS 125 + HE21 GLN 134 OK 49 99 - 49 - 7965/1.7=13, 4296/3.5=13...(7) Peak 7958 from nnoeabs.peaks (2.02, 6.89, 112.66 ppm; 4.02 A): 2 out of 7 assignments used, quality = 0.95: * HB2 GLN 134 + HE21 GLN 134 OK 91 100 - 91 - 4.3=79, 1.8/7959=17...(8) HB2 GLU 44 + HE21 GLN 134 OK 41 98 - 42 - 1.8/7961=8, 7966/1.7=7...(10) HB3 GLU 30 - HE21 GLN 134 OK 28 100 - 28 - 772/4.3=6, 7966/1.7=5...(8) HG2 ARG 90 - HE21 GLN 134 OK 17 99 - 18 - 7966/1.7=6, 4288/3.5=3...(6) HG2 PRO 58 - HE21 GLN 134 OK 11 87 - 12 - 4288/3.5=2, 4297/3.5=2...(6) HB VAL 63 - HE21 GLN 134 lone 4 100 - 4 - 7966/1.7=1 HB3 MET 11 - HE21 GLN 134 lone 4 99 - 4 - Peak 7959 from nnoeabs.peaks (2.33, 6.89, 112.66 ppm; 4.23 A): 1 out of 5 assignments used, quality = 0.97: * HB3 GLN 134 + HE21 GLN 134 OK 97 100 - 97 - 4.3=93, 1.8/7958=19...(8) HG3 GLU 30 - HE21 GLN 134 OK 30 99 - 31 - 784/4.3=6, 4298/3.5=5...(8) HG2 GLU 44 - HE21 GLN 134 OK 29 73 - 40 - 3.0/7961=7, 3.0/7958=7...(10) HG3 GLN 68 - HE21 GLN 134 OK 29 87 - 33 - ~9481=22, 7967/1.7=6...(6) HB VAL 77 - HE21 GLN 134 OK 17 92 - 18 - 4289/3.5=5, 4298/3.5=4...(5) Peak 7960 from nnoeabs.peaks (2.65, 6.89, 112.66 ppm; 3.78 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 134 + HE21 GLN 134 OK 100 100 - 100 - 3.5=100 Peak 7961 from nnoeabs.peaks (2.08, 6.89, 112.66 ppm; 3.92 A): 1 out of 7 assignments used, quality = 1.00: * HG3 GLN 134 + HE21 GLN 134 OK 100 100 - 100 - 3.5=100 HB3 GLU 44 - HE21 GLN 134 OK 40 96 - 42 - 7969/1.7=8, 1.8/7958=7...(10) HB2 GLU 128 - HE21 GLN 134 OK 22 100 - 22 - 4087/5.4=5, 7969/1.7=5...(7) HB3 LYS 39 - HE21 GLN 134 OK 10 98 - 10 - 4291/3.5=2, 7969/1.7=2...(5) HB2 GLU 102 - HE21 GLN 134 lone 7 100 - 7 - 7969/1.7=2, 4291/3.5=1...(4) HG3 PRO 58 - HE21 GLN 134 lone 6 57 - 10 - 1.8/7958=2, 4291/3.5=1...(6) HB VAL 57 - HE21 GLN 134 lone 1 73 - 2 - Peak 7962 from nnoeabs.peaks (7.13, 6.89, 112.66 ppm; 2.50 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 134 + HE21 GLN 134 OK 100 100 - 100 - 1.7=100 Peak 7963 from nnoeabs.peaks (7.13, 7.13, 112.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 134 + HE22 GLN 134 OK 100 100 - 100 Peak 7964 from nnoeabs.peaks (7.49, 7.13, 112.66 ppm; 4.45 A): 2 out of 3 assignments used, quality = 0.97: * H GLN 134 + HE22 GLN 134 OK 89 100 - 89 - 7950/3.5=34, 6.9=27...(15) H LEU 42 + HE22 GLN 134 OK 77 100 - 77 - 3.7/9062=22, 4.6/9111=18...(12) HE22 GLN 127 - HE22 GLN 134 lone 5 65 - 7 - 7956/1.7=1 Peak 7965 from nnoeabs.peaks (4.35, 7.13, 112.66 ppm; 4.98 A): 2 out of 2 assignments used, quality = 0.99: * HA GLN 134 + HE22 GLN 134 OK 98 100 - 98 - 5.4=78, 4261/3.5=40...(13) HA CYS 125 + HE22 GLN 134 OK 55 99 - 56 - 7957/1.7=15, 4296/3.5=14...(8) Peak 7966 from nnoeabs.peaks (2.02, 7.13, 112.66 ppm; 4.18 A): 2 out of 7 assignments used, quality = 0.98: * HB2 GLN 134 + HE22 GLN 134 OK 96 100 - 96 - 4.3=90, 7958/1.7=19...(10) HB2 GLU 44 + HE22 GLN 134 OK 45 98 - 47 - 1.8/7969=9, 7958/1.7=8...(11) HG2 ARG 90 - HE22 GLN 134 OK 36 99 - 36 - 3.8/10626=20...(8) HB3 GLU 30 - HE22 GLN 134 OK 31 100 - 31 - 772/4.3=7, 7958/1.7=6...(8) HG2 PRO 58 - HE22 GLN 134 OK 12 87 - 14 - 4288/3.5=2, 7958/1.7=2...(7) HB VAL 63 - HE22 GLN 134 lone 7 100 - 6 - 2024/9024=1 HB3 MET 11 - HE22 GLN 134 lone 5 99 - 5 - Peak 7967 from nnoeabs.peaks (2.33, 7.13, 112.66 ppm; 4.49 A): 1 out of 5 assignments used, quality = 1.00: * HB3 GLN 134 + HE22 GLN 134 OK 100 100 - 100 - 4.3=100 HG3 GLN 68 - HE22 GLN 134 OK 35 87 - 40 - 1.8/9481=29, 7959/1.7=6...(6) HG3 GLU 30 - HE22 GLN 134 OK 34 99 - 34 - 784/4.3=6, 7959/1.7=6...(8) HG2 GLU 44 - HE22 GLN 134 OK 32 73 - 44 - 3.0/7969=8, 3.0/7966=7...(11) HB VAL 77 - HE22 GLN 134 OK 19 92 - 20 - 4289/3.5=5, 4298/3.5=5...(6) Peak 7968 from nnoeabs.peaks (2.65, 7.13, 112.66 ppm; 3.56 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 134 + HE22 GLN 134 OK 100 100 - 100 - 3.5=100 Peak 7969 from nnoeabs.peaks (2.08, 7.13, 112.66 ppm; 3.87 A): 1 out of 7 assignments used, quality = 1.00: * HG3 GLN 134 + HE22 GLN 134 OK 100 100 - 100 - 3.5=100 HB3 GLU 44 - HE22 GLN 134 OK 39 96 - 41 - 7961/1.7=8, 4291/3.5=7...(10) HB2 GLU 128 - HE22 GLN 134 OK 22 100 - 22 - 4087/5.4=5, 7961/1.7=4...(8) HB3 LYS 39 - HE22 GLN 134 OK 10 98 - 10 - 4291/3.5=2, 7961/1.7=2...(5) HB2 GLU 102 - HE22 GLN 134 lone 8 100 - 7 - 7961/1.7=2, 4291/3.5=1...(4) HG3 PRO 58 - HE22 GLN 134 lone 6 57 - 10 - 1.8/7966=2, ~7958=1...(6) HB VAL 57 - HE22 GLN 134 lone 2 73 - 2 - Peak 7970 from nnoeabs.peaks (6.89, 7.13, 112.66 ppm; 2.50 A): 1 out of 2 assignments used, quality = 1.00: * HE21 GLN 134 + HE22 GLN 134 OK 100 100 - 100 - 1.7=100 HE21 GLN 61 - HE22 GLN 134 lone 1 73 - 1 - Peak 7971 from nnoeabs.peaks (7.31, 7.31, 125.67 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ARG 135 + H ARG 135 OK 100 100 - 100 Peak 7972 from nnoeabs.peaks (7.49, 7.31, 125.67 ppm; 3.13 A): 2 out of 3 assignments used, quality = 0.77: * H GLN 134 + H ARG 135 OK 68 100 - 68 - 7954=33, 7950/4.9=11...(11) H LEU 42 + H ARG 135 OK 28 100 - 28 - 4257/3.6=5, 4.6/9110=5...(10) HE22 GLN 127 - H ARG 135 lone 2 65 - 2 - Peak 7973 from nnoeabs.peaks (4.35, 7.31, 125.67 ppm; 3.71 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 134 + H ARG 135 OK 100 100 - 100 - 3.6=100 HA CYS 125 - H ARG 135 OK 28 99 - 28 - 4278/4.4=6, 4268/4.4=6...(6) Peak 7974 from nnoeabs.peaks (2.02, 7.31, 125.67 ppm; 3.23 A): 4 out of 7 assignments used, quality = 0.81: * HB2 GLN 134 + H ARG 135 OK 66 100 - 66 - 4.4=40, 2.9/7976=14...(5) HB2 GLU 44 + H ARG 135 OK 21 98 - 22 - 1.8/7977=5, 4259/3.6=4...(7) HG2 ARG 90 + H ARG 135 OK 19 99 - 19 - 3.8/10625=11, 4259/3.6=2...(6) HB3 GLU 30 + H ARG 135 OK 15 100 - 15 - 772/4.4=4, 4259/3.6=3...(6) HG2 PRO 58 - H ARG 135 lone 7 87 - 8 - 4259/3.6=1, 4279/4.4=1 HB VAL 63 - H ARG 135 lone 3 100 - 3 - HB3 MET 11 - H ARG 135 lone 2 99 - 2 - Peak 7975 from nnoeabs.peaks (2.33, 7.31, 125.67 ppm; 4.30 A): 1 out of 5 assignments used, quality = 0.98: * HB3 GLN 134 + H ARG 135 OK 98 100 - 98 - 4.4=95, 2.9/7976=27...(8) HG3 GLU 30 - H ARG 135 OK 25 99 - 26 - 784/4.4=6, 4260/3.6=6...(6) HB VAL 77 - H ARG 135 OK 23 92 - 25 - 9672/10612=4, 4270/4.4=4...(10) HG2 GLU 44 - H ARG 135 OK 23 73 - 31 - 3.0/7974=6, 3.0/7977=6...(7) HG3 GLN 68 - H ARG 135 lone 9 87 - 10 - 4260/3.6=2, 4270/4.4=2...(5) Peak 7976 from nnoeabs.peaks (2.65, 7.31, 125.67 ppm; 4.81 A): 1 out of 1 assignment used, quality = 0.99: * HG2 GLN 134 + H ARG 135 OK 99 100 - 99 - 4.9=93, 4261/3.6=38...(12) Peak 7977 from nnoeabs.peaks (2.08, 7.31, 125.67 ppm; 3.80 A): 4 out of 7 assignments used, quality = 0.93: * HG3 GLN 134 + H ARG 135 OK 82 100 - 82 - 4.9=45, 1.8/7976=24...(11) HB3 GLU 44 + H ARG 135 OK 31 96 - 32 - 1.8/7974=7, 4262/3.6=6...(7) HB2 GLU 128 + H ARG 135 OK 25 100 - 25 - 4087/3.6=8...(7) HB3 LYS 39 + H ARG 135 OK 23 98 - 23 - 2.9/10631=5, 3.6/7983=4...(9) HB2 GLU 102 - H ARG 135 lone 6 100 - 6 - 4262/3.6=1 HG3 PRO 58 - H ARG 135 lone 5 57 - 9 - 1.8/7974=2, 4272/4.4=1 HB VAL 57 - H ARG 135 lone 1 73 - 1 - Peak 7980 from nnoeabs.peaks (4.02, 7.31, 125.67 ppm; 3.18 A): 1 out of 7 assignments used, quality = 1.00: * HA ARG 135 + H ARG 135 OK 100 100 - 100 - 3.0=100 HB2 SER 38 - H ARG 135 lone 10 98 - 10 - 4321/4.0=2, 4313/4.0=2...(4) HA LYS 95 - H ARG 135 lone 7 99 - 7 - 4313/4.0=1, 4321/4.0=1 HA LEU 103 - H ARG 135 lone 7 100 - 7 - 4313/4.0=1, 4321/4.0=1 HA ILE 37 - H ARG 135 lone 7 98 - 7 - 4313/4.0=1, 4321/4.0=1 HA SER 60 - H ARG 135 lone 3 73 - 5 - HA LEU 119 - H ARG 135 lone 2 73 - 2 - Peak 7981 from nnoeabs.peaks (1.90, 7.31, 125.67 ppm; 3.30 A): 3 out of 6 assignments used, quality = 0.92: * HB2 ARG 135 + H ARG 135 OK 85 100 - 85 - 4.0=57, 1.8/7982=22...(13) HB2 GLU 40 + H ARG 135 OK 31 98 - 32 - 1.8/7984=9, 4306/3.0=6...(10) HB3 ARG 84 + H ARG 135 OK 27 99 - 28 - ~11275=5, 4306/3.0=5...(9) HB3 LEU 48 - H ARG 135 poor 9 73 - 12 - 3.0/7983=2, 4306/3.0=2...(6) HB2 PRO 113 - H ARG 135 lone 3 73 - 3 - HB3 LEU 123 - H ARG 135 lone 1 69 - 1 - Peak 7982 from nnoeabs.peaks (1.82, 7.31, 125.67 ppm; 3.19 A): 2 out of 11 assignments used, quality = 0.84: * HB3 ARG 135 + H ARG 135 OK 80 100 - 80 - 4.0=52, 1.8/7981=18...(12) HB2 ARG 84 + H ARG 135 OK 16 65 - 25 - 1.8/7981=6, ~11275=5...(9) HB2 LEU 100 - H ARG 135 lone 8 96 - 8 - 11385/10556=4, 4307/3.0=1 HB ILE 32 - H ARG 135 lone 8 100 - 8 - 4307/3.0=1, 4.0/10611=1 HB3 LYS 26 - H ARG 135 lone 4 100 - 4 - HB2 LYS 36 - H ARG 135 lone 4 100 - 4 - HB3 LYS 31 - H ARG 135 lone 3 87 - 3 - HB3 LYS 24 - H ARG 135 lone 3 96 - 3 - HB3 ARG 23 - H ARG 135 lone 3 92 - 3 - HB3 LYS 19 - H ARG 135 lone 2 87 - 2 - HB3 LEU 123 - H ARG 135 lone 1 71 - 1 - Peak 7983 from nnoeabs.peaks (1.71, 7.31, 125.67 ppm; 3.35 A): 6 out of 6 assignments used, quality = 0.94: * HG2 ARG 135 + H ARG 135 OK 83 100 - 83 - 5.0=31, 1.8/7984=22...(14) HD3 LYS 39 + H ARG 135 OK 27 98 - 28 - 3.0/10631=4, 4308/3.0=4...(12) HG LEU 98 + H ARG 135 OK 16 100 - 16 - 4308/3.0=4, ~11373=2...(7) HB2 LEU 70 + H ARG 135 OK 15 100 - 15 - 4308/3.0=2, 3.2/10633=2...(7) HB3 LEU 70 + H ARG 135 OK 15 96 - 16 - 4308/3.0=2, 3.2/10633=2...(7) HG LEU 48 + H ARG 135 OK 14 98 - 14 - 4308/3.0=3, 4316/4.0=2...(5) Peak 7984 from nnoeabs.peaks (2.03, 7.31, 125.67 ppm; 3.13 A): 2 out of 7 assignments used, quality = 0.83: * HG3 ARG 135 + H ARG 135 OK 75 100 - 75 - 5.0=25, 1.8/7983=15...(13) HB3 GLU 40 + H ARG 135 OK 31 98 - 32 - 4309/3.0=7, 1.8/7981=6...(9) HB2 GLU 44 - H ARG 135 poor 9 65 - 13 - 1.8/7977=4, 3.0/7975=2...(5) HB3 GLU 91 - H ARG 135 lone 8 100 - 8 - 4309/3.0=2, 4325/4.0=1...(4) HG2 PRO 58 - H ARG 135 lone 5 87 - 6 - HB3 GLU 55 - H ARG 135 lone 2 65 - 3 - QE MET 11 - H ARG 135 lone 1 73 - 1 - Peak 7985 from nnoeabs.peaks (2.94, 7.31, 125.67 ppm; 4.25 A): 2 out of 5 assignments used, quality = 0.96: * HD2 ARG 135 + H ARG 135 OK 93 100 - 93 - 6.2=32, 3.0/7984=23...(20) HB2 CYS 45 + H ARG 135 OK 36 96 - 38 - 11738/3.6=12, 4310/3.0=5...(10) HE2 LYS 39 - H ARG 135 OK 32 81 - 40 - 2.9/7983=6, 4.0/10631=5...(13) HG CYS 73 - H ARG 135 OK 19 99 - 18 - 4.6/9538=6, 3.4/11816=3...(7) HB3 ASN 116 - H ARG 135 OK 13 92 - 15 - 4326/4.0=3, 4318/4.0=3...(6) Peak 7986 from nnoeabs.peaks (3.23, 7.31, 125.67 ppm; 4.61 A): 3 out of 5 assignments used, quality = 0.99: * HD3 ARG 135 + H ARG 135 OK 96 100 - 96 - 6.2=41, 3.0/7984=25...(19) HB3 PHE 87 + H ARG 135 OK 62 100 - 62 - 4311/3.0=9, 4327/4.0=8...(16) HB2 PHE 87 + H ARG 135 OK 58 96 - 61 - 4311/3.0=8, 4327/4.0=8...(16) HB3 HIS 4 - H ARG 135 lone 6 99 - 6 - HB2 HIS 5 - H ARG 135 lone 5 99 - 5 - Peak 9012 from nnoeabs.peaks (4.53, 7.97, 121.77 ppm; 4.42 A): 1 out of 1 assignment used, quality = 0.65: HA SER 38 + H ILE 37 OK 65 81 - 81 - 3.0/6420=39, 9015/4.0=26...(10) Peak 9029 from nnoeabs.peaks (8.29, 7.98, 119.00 ppm; 5.83 A): 0 out of 5 assignments used, low quality = 0.36: H SER 99 - H SER 38 OK 25 100 - 25 - 7371/3.9=7, 7382/3.9=6...(6) H LEU 43 - H SER 38 OK 15 96 - 15 - 3.9/6424=9, 6507/6424=2 H LEU 69 - H SER 38 lone 7 81 - 8 - 11056/1119=3, 6916/3.9=1 H VAL 126 - H SER 38 lone 3 100 - 3 - H ALA 110 - H SER 38 lone 2 65 - 2 - Peak 9035 from nnoeabs.peaks (6.48, 8.69, 124.20 ppm; 5.14 A): 0 out of 1 assignment used, low quality = 0.00: QE TYR 76 - H LYS 39 poor 8 57 - 14 - 9625/2.8=8, 9628/3.9=3 Peak 9040 from nnoeabs.peaks (1.18, 7.98, 119.00 ppm; 3.89 A): 0 out of 2 assignments used, low quality = 0.00: QG2 VAL 77 - H SER 38 lone 2 98 - 2 - QG2 THR 25 - H SER 38 lone 1 98 - 1 - Peak 9076 from nnoeabs.peaks (1.69, 7.49, 120.97 ppm; 5.28 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9130 from nnoeabs.peaks (1.18, 8.33, 119.61 ppm; 4.91 A): 2 out of 4 assignments used, quality = 0.63: QB ALA 41 + H GLU 44 OK 45 65 - 68 - 2.1/1279=36, 3.7/6492=26...(6) QG2 VAL 77 + H GLU 44 OK 34 99 - 34 - 2.1/6528=7, 9141/4.8=6...(9) QG2 THR 18 - H GLU 44 poor 8 73 - 11 - 10942/3.9=5, 1277/1279=1 QG2 THR 25 - H GLU 44 lone 5 73 - 7 - 9141/4.8=5 Peak 9132 from nnoeabs.peaks (1.34, 8.33, 119.61 ppm; 4.41 A): 1 out of 2 assignments used, quality = 0.60: QB ALA 46 + H GLU 44 OK 60 98 - 62 - 3.1/6531=34, 1348/3.6=27...(4) QB ALA 21 - H GLU 44 lone 10 98 - 9 - 9152/3.4=5, 1348/3.6=3 Peak 9142 from nnoeabs.peaks (6.80, 7.69, 120.85 ppm; 5.04 A): 2 out of 2 assignments used, quality = 0.60: QE TYR 72 + H CYS 45 OK 56 92 - 61 - 9146/3.5=26, 9548/3.5=22...(6) HE21 GLN 101 + H CYS 45 OK 10 65 - 15 - 11575/9163=3, 3.5/3314=2...(7) Peak 9149 from nnoeabs.peaks (2.18, 7.69, 120.85 ppm; 4.68 A): 0 out of 1 assignment used, low quality = 0.36: HB3 GLN 68 - H CYS 45 OK 36 100 - 36 - 9153/2.8=32, 9550/9142=5 Peak 9152 from nnoeabs.peaks (1.34, 7.69, 120.85 ppm; 4.71 A): 2 out of 2 assignments used, quality = 0.70: QB ALA 46 + H CYS 45 OK 64 100 - 65 - 3.7/6547=27, 9132/3.4=25...(5) QB ALA 21 + H CYS 45 OK 15 100 - 14 - 6558/3.2=5, 9132/3.4=4...(4) Peak 9162 from nnoeabs.peaks (0.99, 7.69, 120.85 ppm; 6.19 A): 0 out of 1 assignment used, low quality = 0.32: QG2 VAL 105 - H CYS 45 OK 32 65 - 49 - 9160/3.5=44, 9072/6534=5...(4) Peak 9163 from nnoeabs.peaks (0.89, 7.69, 120.85 ppm; 5.83 A): 0 out of 4 assignments used, low quality = 0.14: QD2 LEU 123 - H CYS 45 OK 14 73 - 20 - ~9164=8, ~1438=4...(4) QG1 VAL 118 - H CYS 45 poor 8 81 - 10 - 11537/3.6=5...(3) QG2 VAL 20 - H CYS 45 lone 2 100 - 2 - QD1 LEU 22 - H CYS 45 lone 2 99 - 2 - Peak 9165 from nnoeabs.peaks (0.99, 8.54, 121.48 ppm; 4.05 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9166 from nnoeabs.peaks (0.78, 8.54, 121.48 ppm; 5.03 A): 3 out of 6 assignments used, quality = 0.76: QD1 ILE 32 + H ALA 46 OK 55 99 - 55 - 10812/4.3=23...(6) QD1 ILE 37 + H ALA 46 OK 40 100 - 40 - ~9184=17, 9176/3.1=15...(5) QD1 LEU 96 + H ALA 46 OK 12 81 - 14 - 11064/11083=6...(3) QD1 LEU 103 - H ALA 46 lone 8 98 - 8 - 9176/3.1=3, 9181/4.3=1 QG1 VAL 63 - H ALA 46 lone 5 96 - 5 - 9176/3.1=2 QD2 LEU 122 - H ALA 46 lone 2 73 - 2 - Peak 9167 from nnoeabs.peaks (0.57, 8.54, 121.48 ppm; 6.07 A): 0 out of 1 assignment used, low quality = 0.28: QD2 LEU 42 - H ALA 46 OK 28 73 - 38 - 9177/3.1=24, 9097/4.4=11...(4) Peak 9180 from nnoeabs.peaks (0.94, 8.46, 118.99 ppm; 4.80 A): 0 out of 3 assignments used, low quality = 0.14: QG2 ILE 37 - H ASP 47 OK 14 96 - 14 - 3.0/9181=9, 11745/6562=2...(4) QD1 LEU 119 - H ASP 47 lone 2 99 - 2 - QG1 VAL 57 - H ASP 47 lone 1 65 - 1 - Peak 9181 from nnoeabs.peaks (0.77, 8.46, 118.99 ppm; 5.93 A): 3 out of 5 assignments used, quality = 0.81: QD1 ILE 32 + H ASP 47 OK 53 99 - 54 - 10812=27, 9176/3.7=20...(4) QD1 ILE 37 + H ASP 47 OK 52 96 - 54 - 3.0/9180=36, 9176/3.7=15...(6) QD1 LEU 96 + H ASP 47 OK 16 98 - 16 - 9176/3.7=4, 9166/4.3=3...(6) QD1 LEU 103 - H ASP 47 poor 10 81 - 12 - 1094/9180=4, 9176/3.7=3 QG1 VAL 63 - H ASP 47 lone 5 73 - 7 - 9176/3.7=2, 9166/4.3=1 Peak 9198 from nnoeabs.peaks (1.50, 8.04, 122.99 ppm; 5.49 A): 1 out of 1 assignment used, quality = 0.79: HB2 LEU 49 + H LEU 48 OK 79 96 - 83 - 6604/4.0=38, 4.6/6590=24...(13) Peak 9199 from nnoeabs.peaks (1.23, 8.04, 122.99 ppm; 5.03 A): 1 out of 3 assignments used, quality = 0.63: QG2 THR 65 + H LEU 48 OK 63 92 - 68 - 11703/4.0=30...(11) QG2 THR 54 - H LEU 48 poor 8 81 - 10 - 11703/4.0=3, 9275/5.0=3 QG2 THR 83 - H LEU 48 lone 3 87 - 4 - 11703/4.0=1 Peak 9212 from nnoeabs.peaks (1.22, 8.66, 113.28 ppm; 5.37 A): 1 out of 1 assignment used, quality = 0.67: QG2 THR 65 + H SER 50 OK 67 81 - 83 - 9200/3.6=39, 9445/3.2=22...(14) Peak 9213 from nnoeabs.peaks (1.33, 8.66, 113.28 ppm; 5.78 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9214 from nnoeabs.peaks (2.09, 8.66, 113.28 ppm; 4.72 A): 0 out of 7 assignments used, low quality = 0.00: HB3 GLN 82 - H SER 50 lone 4 96 - 5 - 11231/6880=4 HB VAL 57 - H SER 50 lone 3 99 - 3 - 10970/10990=1 HB2 GLU 128 - H SER 50 lone 1 81 - 2 - HB2 GLU 102 - H SER 50 lone 1 87 - 2 - HG3 GLN 134 - H SER 50 lone 1 87 - 1 - HB2 GLN 61 - H SER 50 lone 1 57 - 2 - 4.0/6750=1 HB3 LYS 39 - H SER 50 lone 1 65 - 1 - Peak 9220 from nnoeabs.peaks (1.43, 7.98, 115.88 ppm; 4.36 A): 0 out of 5 assignments used, low quality = 0.28: HG13 ILE 32 - H SER 51 OK 28 96 - 29 - 3.2/11918=18, 4.1/6630=5...(6) QB ALA 92 - H SER 51 lone 5 92 - 5 - 3.0/7259=2, 3.7/7272=1 HG2 LYS 31 - H SER 51 lone 3 81 - 3 - 908/11918=2 HG2 LYS 26 - H SER 51 lone 2 99 - 2 - 908/11918=1 HG3 LYS 19 - H SER 51 lone 2 65 - 2 - 908/11918=1 Peak 9221 from nnoeabs.peaks (1.94, 7.98, 115.88 ppm; 4.11 A): 5 out of 6 assignments used, quality = 0.58: HG LEU 53 + H SER 51 OK 23 73 - 31 - 5.3/6641=15, 9234/3.1=8...(4) HB3 LYS 95 + H SER 51 OK 16 96 - 16 - 9234/3.1=5, 4.0/6641=5...(5) HB3 PRO 81 + H SER 51 OK 14 100 - 14 - 2.3/6629=5, 9234/3.1=5, ~6613=3 HB2 LYS 95 + H SER 51 OK 13 81 - 16 - 4.0/6641=5, 9234/3.1=5...(4) HB3 ARG 90 + H SER 51 OK 13 81 - 16 - 3.0/11296=9...(4) HB2 PRO 58 - H SER 51 lone 7 92 - 8 - 9234/3.1=2, ~9334=2, ~9330=1 Peak 9223 from nnoeabs.peaks (1.25, 7.99, 115.96 ppm; 6.80 A): 0 out of 1 assignment used, low quality = 0.00: QG2 THR 54 - H SER 94 lone 4 65 - 7 - 4.2/9261=2 Peak 9224 from nnoeabs.peaks (1.47, 7.99, 115.96 ppm; 4.20 A): 2 out of 3 assignments used, quality = 0.48: HG3 LYS 36 + H SER 94 OK 29 73 - 40 - 1.8/1006=10, 3.0/995=8...(10) QB ALA 52 + H SER 94 OK 26 92 - 28 - 11338/3.6=14, 1635/3.4=5...(6) HG3 LYS 86 - H SER 94 lone 4 100 - 4 - 11338/3.6=1 Peak 9225 from nnoeabs.peaks (1.64, 7.99, 115.96 ppm; 4.63 A): 0 out of 4 assignments used, low quality = 0.34: HG LEU 43 - H SER 94 OK 34 96 - 35 - 11324/4.3=15, ~11336=8...(6) HG LEU 62 - H SER 94 lone 3 65 - 5 - 9941/7278=2, 11324/4.3=2 HG3 ARG 84 - H SER 94 lone 3 99 - 3 - 11324/4.3=1 HG2 ARG 84 - H SER 94 lone 3 99 - 3 - 11324/4.3=1 Peak 9226 from nnoeabs.peaks (2.22, 7.99, 115.96 ppm; 5.18 A): 6 out of 7 assignments used, quality = 0.91: HB3 GLU 97 + H SER 94 OK 70 96 - 73 - 2937/2.9=34, ~2936=28...(6) HG2 GLU 91 + H SER 94 OK 39 81 - 48 - 3.9/2857=28...(6) HB3 GLN 127 + H SER 94 OK 21 87 - 24 - 3.0/7286=4, 4051/3.6=3...(9) HB3 GLU 128 + H SER 94 OK 18 92 - 19 - ~9976=7, 9975/3.4=4...(5) HB3 GLN 104 + H SER 94 OK 14 99 - 14 - ~9976=7, 9975/3.4=3, 2937/2.9=2 HB2 GLN 68 + H SER 94 OK 12 100 - 12 - 2937/2.9=4, 2130/3.6=2...(4) HB3 GLU 102 - H SER 94 poor 8 65 - 12 - 3.0/7278=3, 9975/3.4=3...(4) Peak 9227 from nnoeabs.peaks (0.90, 8.03, 125.41 ppm; 3.96 A): 4 out of 5 assignments used, quality = 0.52: QD2 LEU 48 + H ALA 52 OK 26 73 - 35 - 3.8/6643=10, 9231/2.9=9...(8) QG1 VAL 20 + H ALA 52 OK 18 81 - 22 - 3.2/6646=5, 9231/2.9=5...(7) QG1 VAL 118 + H ALA 52 OK 12 100 - 12 - 9275/9233=3, 9231/2.9=3...(4) QG2 VAL 20 + H ALA 52 OK 10 65 - 16 - 3.2/6646=5, ~9231=3...(6) QD1 LEU 22 - H ALA 52 lone 1 87 - 1 - Peak 9228 from nnoeabs.peaks (0.68, 8.03, 125.41 ppm; 4.62 A): 1 out of 2 assignments used, quality = 0.57: QD2 LEU 62 + H ALA 52 OK 57 100 - 57 - 10996/2.9=35, ~11726=8...(9) QD2 LEU 100 - H ALA 52 lone 7 99 - 7 - 9432/9446=2...(3) Peak 9233 from nnoeabs.peaks (1.25, 8.03, 125.41 ppm; 5.27 A): 0 out of 2 assignments used, low quality = 0.29: QG2 THR 54 - H ALA 52 OK 29 92 - 32 - 4.0/6673=25, 9263/9248=5 QG2 THR 83 - H ALA 52 lone 7 87 - 8 - ~6663=3, 9760/9234=2 Peak 9234 from nnoeabs.peaks (1.94, 8.03, 125.41 ppm; 4.45 A): 5 out of 6 assignments used, quality = 0.92: HG LEU 53 + H ALA 52 OK 60 87 - 70 - 1662/3.3=14, ~6664=13...(12) HB3 LYS 95 + H ALA 52 OK 40 99 - 40 - 9221/3.1=6, 9240/2.9=6...(13) HB3 PRO 81 + H ALA 52 OK 37 98 - 38 - 9240/2.9=8, 9221/3.1=5...(12) HB2 LYS 95 + H ALA 52 OK 37 92 - 40 - 4.0/6653=6, 9240/2.9=6...(13) HB2 PRO 58 + H ALA 52 OK 15 81 - 18 - ~9239=9, 9240/2.9=3...(4) HB3 ARG 90 - H ALA 52 poor 8 65 - 13 - ~11296=7, 9221/3.1=5 Peak 9250 from nnoeabs.peaks (1.23, 7.71, 113.84 ppm; 4.60 A): 1 out of 1 assignment used, quality = 0.66: QG2 THR 65 + H LEU 53 OK 66 100 - 66 - 9440/3.7=34...(4) Peak 9251 from nnoeabs.peaks (0.66, 7.71, 113.84 ppm; 4.55 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9261 from nnoeabs.peaks (8.00, 7.75, 122.78 ppm; 4.68 A): 0 out of 4 assignments used, low quality = 0.19: H VAL 57 - H GLU 55 OK 19 92 - 21 - 6703/4.8=10, 6702/4.8=10 H SER 94 - H GLU 55 lone 4 57 - 6 - 9223/4.2=5 H LYS 36 - H GLU 55 lone 2 87 - 3 - H ILE 129 - H GLU 55 lone 1 100 - 1 - Peak 9264 from nnoeabs.peaks (4.15, 7.75, 122.78 ppm; 3.97 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9266 from nnoeabs.peaks (3.67, 7.75, 122.78 ppm; 4.31 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9267 from nnoeabs.peaks (1.50, 7.75, 122.78 ppm; 4.71 A): 0 out of 1 assignment used, low quality = 0.00: HB2 LEU 49 - H GLU 55 lone 6 98 - 6 - 10959/4.2=5 Peak 9268 from nnoeabs.peaks (2.44, 7.55, 107.70 ppm; 5.13 A): 0 out of 2 assignments used, low quality = 0.25: HG2 GLN 82 - H THR 54 OK 15 99 - 15 - 2.9/11233=8, 1.8/11227=7 HG3 GLN 82 - H THR 54 OK 11 81 - 14 - 2.9/11233=8, 11227=5 Peak 9279 from nnoeabs.peaks (0.93, 7.75, 122.78 ppm; 4.13 A): 3 out of 5 assignments used, quality = 0.48: QD1 LEU 123 + H GLU 55 OK 32 96 - 33 - 11584/4.2=15...(4) QD1 LEU 119 + H GLU 55 OK 15 57 - 25 - 11774/3.6=9, 4.6/6687=7...(6) QG2 ILE 37 + H GLU 55 OK 11 96 - 11 - 11774/3.6=8, 9292/4.8=2 QG2 VAL 112 - H GLU 55 lone 7 73 - 9 - 9294/4.9=3, 3.2/6688=2...(4) QD1 LEU 48 - H GLU 55 lone 3 73 - 4 - 9294/4.9=2, 9292/4.8=1 Peak 9280 from nnoeabs.peaks (0.84, 7.75, 122.78 ppm; 4.77 A): 0 out of 2 assignments used, low quality = 0.11: QG1 VAL 133 - H GLU 55 OK 11 92 - 12 - 10574/3.8=10 QD2 LEU 22 - H GLU 55 lone 1 100 - 1 - Peak 9335 from nnoeabs.peaks (3.98, 6.60, 111.09 ppm; 5.04 A): 0 out of 5 assignments used, low quality = 0.18: HA VAL 20 - HD21 ASN 59 OK 18 87 - 21 - 3.0/11921=8, 3.2/9342=6...(4) HB3 SER 106 - HD21 ASN 59 lone 5 87 - 6 - 10096/11424=3, 11854/9342=1 HA GLN 68 - HD21 ASN 59 lone 4 65 - 5 - 4.9/6725=3 HB3 SER 51 - HD21 ASN 59 lone 1 98 - 1 - HA GLU 91 - HD21 ASN 59 lone 1 96 - 1 - Peak 9338 from nnoeabs.peaks (4.45, 8.66, 113.17 ppm; 4.66 A): 2 out of 3 assignments used, quality = 0.63: HA PRO 58 + H SER 60 OK 57 98 - 58 - 3.6/6736=32...(4) HA ASP 64 + H SER 60 OK 15 81 - 18 - ~6818=10, 6709/4.6=4...(5) HA SER 106 - H SER 60 lone 3 81 - 4 - 6709/4.6=1 Peak 9339 from nnoeabs.peaks (1.95, 6.60, 122.23 ppm; 6.80 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9340 from nnoeabs.peaks (1.57, 6.60, 111.09 ppm; 5.00 A): 0 out of 4 assignments used, low quality = 0.26: HG LEU 49 - HD21 ASN 59 OK 26 87 - 30 - 2.1/9342=12, 2.1/9343=9...(4) HG13 ILE 37 - HD21 ASN 59 poor 10 92 - 11 - 1110/11424=3, 9364/3.5=2...(4) HG LEU 123 - HD21 ASN 59 lone 5 100 - 5 - 10708/9335=2 HG2 ARG 23 - HD21 ASN 59 lone 4 65 - 7 - 10708/9335=2 Peak 9341 from nnoeabs.peaks (1.41, 6.60, 111.09 ppm; 5.64 A): 0 out of 2 assignments used, low quality = 0.29: QB ALA 16 - HD21 ASN 59 OK 29 92 - 32 - 9356/3.5=27, 9394/9342=3 QB ALA 34 - HD21 ASN 59 lone 4 65 - 6 - 9356/3.5=4 Peak 9342 from nnoeabs.peaks (0.91, 6.60, 111.09 ppm; 4.43 A): 4 out of 5 assignments used, quality = 0.85: QD1 LEU 62 + HD21 ASN 59 OK 47 100 - 48 - 9361/4.4=17, 9357/3.5=13...(6) QD1 LEU 49 + HD21 ASN 59 OK 42 100 - 42 - 2.1/9340=18, 2.1/9343=8...(7) QG2 VAL 63 + HD21 ASN 59 OK 34 98 - 35 - 2.1/9343=8, 9347/1.7=7...(9) QG1 VAL 20 + HD21 ASN 59 OK 24 87 - 28 - 3.2/9335=16, 4.0/11921=5...(5) QD2 LEU 48 - HD21 ASN 59 lone 9 92 - 9 - 9205/9340=2, 9347/1.7=2...(4) Peak 9343 from nnoeabs.peaks (0.79, 6.60, 111.09 ppm; 3.88 A): 3 out of 5 assignments used, quality = 0.69: QD1 LEU 103 + HD21 ASN 59 OK 54 81 - 67 - 2.1/11428=19, 11424=18...(8) QD2 LEU 49 + HD21 ASN 59 OK 19 73 - 26 - 2.1/9340=13, 2.1/9342=8...(4) QG1 VAL 63 + HD21 ASN 59 OK 18 87 - 20 - 2.1/9342=6, 9348/1.7=4...(5) QD2 LEU 122 - HD21 ASN 59 lone 6 99 - 6 - 3393/11428=1...(4) QD1 LEU 53 - HD21 ASN 59 lone 3 92 - 3 - Peak 9346 from nnoeabs.peaks (1.39, 7.79, 111.09 ppm; 6.80 A): 4 out of 13 assignments used, quality = 0.78: QB ALA 108 + HD22 ASN 59 OK 48 92 - 53 - ~11482=42, ~11921=14, 9349/5.7=2 HG2 LYS 95 + HD22 ASN 59 OK 25 99 - 25 - 3.7/6733=9, 3.7/6733=9 HG3 LYS 95 + HD22 ASN 59 OK 24 96 - 25 - 3.7/6733=9, 3.7/6733=9 HG LEU 96 + HD22 ASN 59 OK 24 73 - 32 - 9359/4.4=28, 3088/11331=3 HB2 LEU 96 - HD22 ASN 59 poor 8 65 - 13 - 9349/5.7=7, 3071/11331=2 HG3 LYS 31 - HD22 ASN 59 lone 7 100 - 7 - 9359/4.4=3, 9349/5.7=1 QB ALA 109 - HD22 ASN 59 lone 6 100 - 6 - 9349/5.7=2 QB ALA 28 - HD22 ASN 59 lone 4 87 - 4 - QB ALA 110 - HD22 ASN 59 lone 4 81 - 4 - HG3 LYS 26 - HD22 ASN 59 lone 4 73 - 5 - 9349/5.7=1 QB ALA 15 - HD22 ASN 59 lone 3 81 - 4 - QB ALA 29 - HD22 ASN 59 lone 3 65 - 4 - 9349/5.7=1 HG2 LYS 36 - HD22 ASN 59 lone 3 65 - 4 - 9349/5.7=1 Peak 9347 from nnoeabs.peaks (0.91, 7.79, 111.09 ppm; 5.12 A): 4 out of 5 assignments used, quality = 0.88: QD1 LEU 62 + HD22 ASN 59 OK 54 100 - 54 - 9361/4.4=21, 9357/3.5=17...(4) QD1 LEU 49 + HD22 ASN 59 OK 45 100 - 45 - ~9340=17, 9342/1.7=13...(6) QG2 VAL 63 + HD22 ASN 59 OK 39 98 - 40 - 9342/1.7=10, 2.1/9348=8...(8) QG1 VAL 20 + HD22 ASN 59 OK 23 87 - 27 - ~9335=15, 9342/1.7=7...(4) QD2 LEU 48 - HD22 ASN 59 lone 9 92 - 9 - 9342/1.7=3, 9357/3.5=2...(4) Peak 9348 from nnoeabs.peaks (0.78, 7.79, 111.09 ppm; 4.55 A): 2 out of 6 assignments used, quality = 0.88: QD1 LEU 103 + HD22 ASN 59 OK 85 98 - 87 - 11424/1.7=40, 11427=32...(7) QG1 VAL 63 + HD22 ASN 59 OK 22 99 - 22 - 9343/1.7=7, 2.1/9347=7...(4) QD1 ILE 37 - HD22 ASN 59 lone 7 87 - 8 - ~9340=5, 3409/11711=1 QD1 ILE 32 - HD22 ASN 59 lone 6 73 - 8 - 10848/3.5=5, 9363/3.5=1 QD2 LEU 122 - HD22 ASN 59 lone 5 99 - 5 - 9343/1.7=3, 3409/11711=1 QD1 LEU 53 - HD22 ASN 59 lone 2 65 - 3 - 9343/1.7=1 Peak 9349 from nnoeabs.peaks (1.39, 8.89, 122.23 ppm; 4.73 A): 3 out of 15 assignments used, quality = 0.46: HB2 LEU 96 + H ASN 59 OK 22 92 - 24 - ~9359=17, ~9362=6 HG3 LYS 95 + H ASN 59 OK 17 100 - 17 - 3.7/6718=6, 3.7/6718=6...(4) HG2 LYS 95 + H ASN 59 OK 17 99 - 17 - 3.7/6718=6, 3.7/6718=6...(4) HG2 LYS 24 - H ASN 59 lone 7 87 - 8 - 4.1/6716=2, 513/2.9=1, ~524=1 QB ALA 109 - H ASN 59 lone 6 98 - 6 - 11794/3.6=3 QB ALA 108 - H ASN 59 lone 5 100 - 5 - 9346/5.7=3 HG3 LYS 26 - H ASN 59 lone 4 96 - 4 - 10703/9350=1 HG3 LYS 31 - H ASN 59 lone 4 92 - 4 - 9359/2.9=1 HG2 LYS 36 - H ASN 59 lone 4 92 - 4 - 10900/9350=3 QB ALA 29 - H ASN 59 lone 4 92 - 4 - 10791/4.3=1 HB3 LEU 100 - H ASN 59 lone 3 87 - 4 - 3246/9384=2 HB2 LEU 42 - H ASN 59 lone 3 81 - 4 - ~9100=3 QB ALA 28 - H ASN 59 lone 2 99 - 2 - QB ALA 15 - H ASN 59 lone 1 98 - 1 - QB ALA 110 - H ASN 59 lone 1 98 - 1 - Peak 9350 from nnoeabs.peaks (0.89, 8.89, 122.23 ppm; 4.85 A): 0 out of 4 assignments used, low quality = 0.00: QD2 LEU 123 - H ASN 59 lone 8 87 - 10 - 2.1/10351=5, 10348/9384=4 QG1 VAL 118 - H ASN 59 lone 3 65 - 4 - ~1880=1 QG2 VAL 20 - H ASN 59 lone 3 100 - 3 - QD1 LEU 22 - H ASN 59 lone 2 96 - 2 - Peak 9369 from nnoeabs.peaks (1.48, 7.56, 111.48 ppm; 5.56 A): 0 out of 3 assignments used, low quality = 0.21: QB ALA 52 - HE22 GLN 61 OK 21 96 - 22 - 9375/1.7=14, 9246=6, 2.9/6654=1 HG3 LYS 86 - HE22 GLN 61 lone 3 65 - 5 - 9375/1.7=3 HG LEU 42 - HE22 GLN 61 lone 2 98 - 2 - Peak 9371 from nnoeabs.peaks (0.94, 7.56, 111.48 ppm; 4.15 A): 0 out of 2 assignments used, low quality = 0.27: QD1 LEU 119 - HE22 GLN 61 OK 27 96 - 28 - 9376/1.7=15, 10987/3.5=7...(4) QG2 ILE 37 - HE22 GLN 61 lone 6 99 - 6 - 9376/1.7=3 Peak 9375 from nnoeabs.peaks (1.48, 6.88, 111.48 ppm; 6.17 A): 0 out of 3 assignments used, low quality = 0.35: QB ALA 52 - HE21 GLN 61 OK 35 96 - 37 - 9369/1.7=20...(4) HG3 LYS 86 - HE21 GLN 61 lone 8 100 - 7 - 9369/1.7=3, 9317/9300=1 HG3 LYS 36 - HE21 GLN 61 lone 1 65 - 2 - Peak 9376 from nnoeabs.peaks (0.94, 6.88, 111.48 ppm; 4.09 A): 2 out of 3 assignments used, quality = 0.67: QG1 VAL 57 + HE21 GLN 61 OK 45 81 - 56 - 10987/3.5=18...(11) QD1 LEU 119 + HE21 GLN 61 OK 41 100 - 41 - 9371/1.7=27, 10987/3.5=8...(4) QG2 ILE 37 - HE21 GLN 61 lone 9 87 - 9 - 9371/1.7=7, 10987/3.5=1 Peak 9380 from nnoeabs.peaks (0.84, 7.56, 111.48 ppm; 6.01 A): 0 out of 2 assignments used, low quality = 0.42: QD2 LEU 22 - HE22 GLN 61 OK 28 99 - 29 - 9381/1.7=24, 401/5.7=4 QG1 VAL 133 - HE22 GLN 61 OK 19 81 - 24 - 9381/1.7=18, 11670/3.5=3 Peak 9381 from nnoeabs.peaks (0.84, 6.88, 111.48 ppm; 6.03 A): 0 out of 2 assignments used, low quality = 0.44: QD2 LEU 22 - HE21 GLN 61 OK 29 99 - 30 - 9380/1.7=25, 401/5.7=4 QG1 VAL 133 - HE21 GLN 61 OK 21 81 - 26 - 9380/1.7=17, 11670/3.5=3...(4) Peak 9396 from nnoeabs.peaks (1.16, 8.20, 118.17 ppm; 4.56 A): 0 out of 2 assignments used, low quality = 0.12: HG12 ILE 32 - H VAL 63 OK 12 92 - 13 - 2.1/6813=6, 917/4.0=3, ~2016=2 HG3 LYS 39 - H VAL 63 lone 2 100 - 2 - Peak 9409 from nnoeabs.peaks (1.39, 7.96, 120.19 ppm; 5.50 A): 0 out of 6 assignments used, low quality = 0.21: QB ALA 109 - H ASP 64 OK 21 92 - 23 - 11794/2.9=14, 2.1/6819=7 HG3 LYS 31 - H ASP 64 lone 4 98 - 4 - 3.8/6819=2 HG LEU 96 - H ASP 64 lone 4 96 - 4 - 10104/11022=1 HG2 LYS 95 - H ASP 64 lone 3 87 - 4 - 3.9/6818=1 QB ALA 108 - H ASP 64 lone 3 65 - 5 - 2.1/6819=2 HG3 LYS 95 - H ASP 64 lone 2 73 - 3 - 3.9/6818=1 Peak 9410 from nnoeabs.peaks (2.10, 7.96, 120.19 ppm; 3.68 A): 0 out of 5 assignments used, low quality = 0.38: HB3 GLN 61 - H ASP 64 OK 16 100 - 16 - 3.0/1922=10, 4.6/6820=5 HB2 GLN 61 - H ASP 64 OK 16 98 - 16 - 3.0/1922=10, 4.6/6820=5 HB VAL 126 - H ASP 64 OK 12 96 - 13 - 4014/4.3=5, 4.6/6822=4 HG3 GLU 91 - H ASP 64 lone 1 73 - 1 - HB3 GLN 82 - H ASP 64 lone 0 65 - 1 - Peak 9415 from nnoeabs.peaks (0.90, 8.38, 118.14 ppm; 3.96 A): 3 out of 4 assignments used, quality = 0.48: QG1 VAL 118 + H THR 65 OK 27 100 - 27 - 9433/3.5=10, 9412/3.6=5...(7) QD1 LEU 22 + H THR 65 OK 19 96 - 20 - 9433/3.5=7, 9412/3.6=4...(6) QG2 VAL 20 + H THR 65 OK 13 81 - 16 - 9433/3.5=7, 9412/3.6=4...(4) QG1 VAL 20 - H THR 65 poor 7 65 - 11 - ~9433=4, 9430/4.0=2...(5) Peak 9416 from nnoeabs.peaks (0.79, 8.38, 118.14 ppm; 4.05 A): 3 out of 5 assignments used, quality = 0.76: QG1 VAL 63 + H THR 65 OK 63 87 - 72 - 4.3/6837=25, 4.0/6835=17...(12) QD1 LEU 103 + H THR 65 OK 22 81 - 27 - 9431/4.0=7, 9411/3.6=5...(9) QD2 LEU 49 + H THR 65 OK 18 73 - 25 - 9419/2.9=6, 9422/4.0=5...(6) QD2 LEU 122 - H THR 65 lone 10 99 - 10 - 9411/3.6=2, 11549/9415=1...(4) QD1 LEU 53 - H THR 65 lone 7 92 - 7 - 9419/2.9=1, 10994/6834=1 Peak 9417 from nnoeabs.peaks (0.67, 8.38, 118.14 ppm; 4.84 A): 2 out of 2 assignments used, quality = 0.84: QD2 LEU 62 + H THR 65 OK 66 99 - 67 - 3.9/6834=24, 9432/4.0=20...(10) QD2 LEU 100 + H THR 65 OK 52 92 - 57 - ~10045=19, 9435/3.5=17...(15) Peak 9427 from nnoeabs.peaks (2.01, 8.38, 118.14 ppm; 5.27 A): 3 out of 8 assignments used, quality = 0.72: HB VAL 63 + H THR 65 OK 54 65 - 83 - 4.5/6837=37, 4.0/6835=27...(7) HG3 PRO 56 + H THR 65 OK 22 92 - 24 - 2.3/9447=23 HG2 PRO 56 + H THR 65 OK 22 92 - 24 - 2.3/9447=23 HB3 MET 11 - H THR 65 lone 5 57 - 9 - 6824/4.2=3, 2015/6836=2...(4) HG2 ARG 90 - H THR 65 lone 2 57 - 3 - HB3 GLU 30 - H THR 65 lone 2 81 - 2 - HB3 PRO 117 - H THR 65 lone 2 96 - 2 - HB2 GLN 134 - H THR 65 lone 2 73 - 2 - Peak 9433 from nnoeabs.peaks (0.89, 8.90, 110.50 ppm; 4.00 A): 0 out of 3 assignments used, low quality = 0.35: QG1 VAL 118 - H GLY 66 OK 16 92 - 18 - 9415/3.5=10, 9421/4.5=3...(4) QD1 LEU 22 - H GLY 66 OK 13 100 - 13 - 9415/3.5=7, 11033/2.9=3...(4) QG2 VAL 20 - H GLY 66 OK 12 98 - 12 - 9415/3.5=5, 11033/2.9=3...(4) Peak 9434 from nnoeabs.peaks (0.80, 8.90, 110.50 ppm; 3.95 A): 1 out of 4 assignments used, quality = 0.46: QD2 LEU 49 + H GLY 66 OK 46 98 - 47 - 9460/4.1=15, 9208/2.9=14...(7) QD2 LEU 119 - H GLY 66 lone 10 100 - 9 - 9448/2.9=2, 9460/4.1=2...(4) QD1 LEU 53 - H GLY 66 lone 9 87 - 10 - 9460/4.1=3, 9448/2.9=2 QD1 LEU 122 - H GLY 66 lone 3 81 - 3 - ~9416=1 Peak 9435 from nnoeabs.peaks (0.67, 8.90, 110.50 ppm; 4.15 A): 2 out of 2 assignments used, quality = 0.89: QD2 LEU 62 + H GLY 66 OK 69 99 - 69 - 9384=19, 10990/4.1=15...(9) QD2 LEU 100 + H GLY 66 OK 64 92 - 70 - 2.1/10045=21, ~10035=18...(11) Peak 9447 from nnoeabs.peaks (3.64, 8.38, 118.14 ppm; 6.80 A): 0 out of 1 assignment used, low quality = 0.18: HD3 PRO 56 - H THR 65 OK 18 87 - 21 - 2.3/9427=10, 2.3/9427=10 Peak 9452 from nnoeabs.peaks (2.22, 8.65, 120.06 ppm; 5.18 A): 5 out of 8 assignments used, quality = 0.84: HB2 GLN 68 + H HIS 67 OK 60 98 - 61 - 3.7/6872=39...(4) HB3 GLN 127 + H HIS 67 OK 32 96 - 34 - ~11605=14, 11036/2.9=10...(5) HG2 GLN 68 + H HIS 67 OK 28 65 - 42 - 5.1/6872=30, ~11036=11...(5) HB3 GLU 102 + H HIS 67 OK 11 81 - 13 - ~3332=5, 3340/2.9=5...(4) HB3 GLN 104 + H HIS 67 OK 11 100 - 11 - 11036/2.9=3, 6887/4.0=3 HB3 GLU 97 - H HIS 67 poor 10 87 - 11 - 11036/2.9=4...(3) HB3 GLU 128 - H HIS 67 lone 9 98 - 10 - 11036/2.9=3, 6887/4.0=3...(4) HG2 GLU 91 - H HIS 67 lone 8 92 - 9 - 9916/2.9=3, ~9915=2, 6887/4.0=1 Peak 9458 from nnoeabs.peaks (1.69, 8.65, 120.06 ppm; 4.41 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9460 from nnoeabs.peaks (0.80, 8.65, 120.06 ppm; 3.94 A): 2 out of 4 assignments used, quality = 0.64: QD2 LEU 49 + H HIS 67 OK 59 100 - 59 - 9434/4.1=14, 9208/3.6=13...(10) QD1 LEU 53 + H HIS 67 OK 12 99 - 12 - 9434/4.1=3, 9465/3.8=2...(4) QD2 LEU 119 - H HIS 67 lone 8 92 - 9 - 9434/4.1=3, 9448/3.6=2 QD2 LEU 122 - H HIS 67 lone 2 65 - 3 - Peak 9461 from nnoeabs.peaks (0.68, 8.65, 120.06 ppm; 4.23 A): 2 out of 2 assignments used, quality = 0.85: QD2 LEU 100 + H HIS 67 OK 66 100 - 66 - 2.1/11037=34...(8) QD2 LEU 62 + H HIS 67 OK 56 96 - 58 - 10990=24, 9386/6860=16...(11) Peak 9474 from nnoeabs.peaks (0.81, 7.86, 121.44 ppm; 5.16 A): 0 out of 4 assignments used, low quality = 0.18: QD1 LEU 70 - H GLN 68 OK 18 57 - 32 - 4.3/6894=25, 11102/3.6=7 QD2 LEU 119 - H GLN 68 poor 9 73 - 12 - 9478/5.1=6, 10281/6.7=2 QG2 ILE 80 - H GLN 68 lone 6 92 - 6 - 2455/11180=3 QD1 LEU 122 - H GLN 68 lone 4 99 - 4 - 9478/5.1=1 Peak 9475 from nnoeabs.peaks (1.23, 7.86, 121.44 ppm; 6.21 A): 1 out of 1 assignment used, quality = 0.88: QG2 THR 65 + H GLN 68 OK 88 100 - 88 - 9443/3.7=40, 3.2/2064=39...(8) Peak 9476 from nnoeabs.peaks (1.14, 7.86, 121.70 ppm; 4.33 A): 3 out of 5 assignments used, quality = 0.69: QG2 VAL 132 + H ALA 88 OK 50 99 - 50 - 9861/3.0=16...(6) QG1 VAL 132 + H ALA 88 OK 27 87 - 31 - 9861/3.0=18, ~9861=9 HG2 LYS 39 + H ALA 88 OK 16 99 - 16 - 9861/3.0=6, 9867/4.1=5 QG2 THR 115 - H ALA 88 lone 5 99 - 5 - 9861/3.0=2, 2.1/7178=1 HB3 LEU 62 - H ALA 88 lone 3 73 - 3 - 9830/4.3=2, 9867/4.1=1 Peak 9477 from nnoeabs.peaks (1.98, 7.86, 121.70 ppm; 4.96 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9483 from nnoeabs.peaks (2.20, 8.46, 121.15 ppm; 4.27 A): 0 out of 4 assignments used, low quality = 0.42: HB2 GLN 82 - H LEU 70 OK 19 96 - 20 - 9491/3.4=8, 11237/6937=5...(4) HB VAL 133 - H LEU 70 OK 18 73 - 25 - 4.0/6952=5, 9491/3.4=5...(8) HB2 GLN 101 - H LEU 70 OK 13 73 - 18 - 9491/3.4=7, 11112/3.2=5...(4) HB2 GLN 104 - H LEU 70 lone 1 65 - 2 - Peak 9491 from nnoeabs.peaks (2.20, 8.14, 121.15 ppm; 5.57 A): 3 out of 3 assignments used, quality = 0.63: HB2 GLN 82 + H ASP 71 OK 34 99 - 34 - 9483/3.4=16, 11118/4.0=7...(5) HB2 GLN 101 + H ASP 71 OK 30 87 - 35 - 9483/3.4=11...(6) HB VAL 133 + H ASP 71 OK 21 57 - 36 - 9483/3.4=15, ~10565=7...(8) Peak 9499 from nnoeabs.peaks (2.80, 8.46, 121.15 ppm; 6.18 A): 0 out of 4 assignments used, low quality = 0.00: HB3 ASP 64 - H LEU 70 lone 7 100 - 7 - ~2232=5 HB2 ASN 121 - H LEU 70 lone 4 98 - 5 - 11541/6944=3 HB3 ASN 120 - H LEU 70 lone 4 100 - 4 - 11541/6944=1 HB2 ASN 120 - H LEU 70 lone 4 100 - 4 - 11541/6944=1 Peak 9505 from nnoeabs.peaks (3.34, 8.14, 121.15 ppm; 6.79 A): 3 out of 3 assignments used, quality = 0.91: HB2 HIS 67 + H ASP 71 OK 72 100 - 72 - ~2099=29, 3.0/6955=24...(8) HB3 TYR 72 + H ASP 71 OK 64 99 - 65 - 4.4/6970=40, ~6983=29...(6) HB3 PHE 89 + H ASP 71 OK 10 65 - 15 - 6982/3.4=3, 9878/11181=3...(5) Peak 9520 from nnoeabs.peaks (1.50, 8.32, 120.30 ppm; 4.98 A): 0 out of 1 assignment used, low quality = 0.31: HB2 LEU 49 - H TYR 72 OK 31 100 - 31 - 9516/3.8=23, 9513/3.8=10 Peak 9522 from nnoeabs.peaks (1.02, 8.32, 120.30 ppm; 4.47 A): 0 out of 1 assignment used, low quality = 0.00: QG2 VAL 118 - H TYR 72 poor 7 65 - 11 - 9084/9524=4, 2173/6973=2 Peak 9523 from nnoeabs.peaks (0.81, 8.32, 120.30 ppm; 4.71 A): 4 out of 5 assignments used, quality = 0.85: QD1 LEU 70 + H TYR 72 OK 72 96 - 75 - 4.3/6953=27, 2267/3.4=14...(13) QG2 ILE 80 + H TYR 72 OK 23 100 - 23 - ~11181=7, 6964/3.4=5...(6) QG2 ILE 129 + H TYR 72 OK 23 81 - 29 - 11632/3.4=11, 3.0/9524=8...(5) HG13 ILE 80 + H TYR 72 OK 12 65 - 18 - ~11181=8, 6964/3.4=4...(4) QD1 LEU 122 - H TYR 72 lone 2 73 - 3 - Peak 9524 from nnoeabs.peaks (0.63, 8.32, 120.30 ppm; 5.38 A): 2 out of 2 assignments used, quality = 0.80: QD1 LEU 42 + H TYR 72 OK 72 100 - 72 - 9104/3.5=30, 9519/3.8=27...(9) QD1 ILE 129 + H TYR 72 OK 29 73 - 39 - ~11632=11, 9565/3.5=9...(8) Peak 9535 from nnoeabs.peaks (7.33, 8.85, 116.83 ppm; 5.67 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9555 from nnoeabs.peaks (2.94, 8.85, 116.83 ppm; 3.57 A): 2 out of 5 assignments used, quality = 0.60: * HG CYS 73 + H CYS 73 OK 45 98 - 46 - 5.2=33, 9557/3.8=11...(6) HB2 CYS 45 + H CYS 73 OK 26 98 - 27 - 11831/3.5=9, ~9148=5...(8) HD2 ARG 135 - H CYS 73 lone 9 100 - 9 - 9559/2.9=2, 9557/3.8=2...(4) HE2 LYS 39 - H CYS 73 lone 3 73 - 5 - HB3 ASN 116 - H CYS 73 lone 2 87 - 3 - Peak 9557 from nnoeabs.peaks (2.94, 8.41, 115.94 ppm; 4.42 A): 3 out of 5 assignments used, quality = 0.72: HG CYS 73 + H SER 74 OK 61 98 - 62 - 3.4/7010=28, 3.4/7009=25...(6) HB2 CYS 45 + H SER 74 OK 20 98 - 20 - 9555/3.8=10...(4) HD2 ARG 135 + H SER 74 OK 11 100 - 11 - 9555/3.8=3, 9559/3.6=3...(4) HE2 LYS 39 - H SER 74 lone 5 73 - 7 - 9555/3.8=1, 9958/9576=1...(5) HB3 ASN 116 - H SER 74 lone 3 87 - 4 - Peak 9561 from nnoeabs.peaks (1.70, 8.85, 116.83 ppm; 6.36 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9562 from nnoeabs.peaks (1.51, 8.85, 116.83 ppm; 5.57 A): 1 out of 2 assignments used, quality = 0.70: HG LEU 69 + H CYS 73 OK 70 100 - 70 - 2.1/11084=43...(6) HB2 LEU 53 - H CYS 73 lone 7 73 - 10 - 2211/11084=4, 2172/6988=3 Peak 9563 from nnoeabs.peaks (1.01, 8.85, 116.83 ppm; 5.15 A): 3 out of 3 assignments used, quality = 0.90: QD1 LEU 69 + H CYS 73 OK 85 99 - 85 - 11084=49, 2.1/9562=31...(11) QG2 VAL 118 + H CYS 73 OK 19 98 - 20 - 9522/3.5=6, 9084/9565=5...(5) QG2 VAL 105 + H CYS 73 OK 19 98 - 20 - 9514/4.4=15, 9160/9555=2...(4) Peak 9564 from nnoeabs.peaks (0.76, 8.85, 116.83 ppm; 4.58 A): 0 out of 2 assignments used, low quality = 0.34: QD1 LEU 96 - H CYS 73 OK 34 73 - 47 - 9572/3.8=14, 9569/2.9=12...(6) QD2 LEU 43 - H CYS 73 lone 2 65 - 2 - Peak 9565 from nnoeabs.peaks (0.63, 8.85, 116.83 ppm; 4.75 A): 2 out of 2 assignments used, quality = 0.78: QD1 LEU 42 + H CYS 73 OK 71 100 - 71 - 9519/4.4=19, 9524/3.5=18...(10) QD1 ILE 129 + H CYS 73 OK 25 73 - 34 - 9524/3.5=7, 9967/11328=7...(9) Peak 9566 from nnoeabs.peaks (0.29, 8.85, 116.83 ppm; 5.56 A): 1 out of 1 assignment used, quality = 0.64: QG2 VAL 93 + H CYS 73 OK 64 81 - 79 - 9581/3.8=32, 11328=30...(9) Peak 9575 from nnoeabs.peaks (0.77, 8.41, 115.94 ppm; 4.48 A): 3 out of 3 assignments used, quality = 0.79: QD1 LEU 96 + H SER 74 OK 58 100 - 58 - 9564/3.8=16, 9986/4.4=13...(11) QD1 ILE 32 + H SER 74 OK 41 87 - 48 - 4.2/10808=22, 9595/4.1=9...(9) QD1 ILE 37 + H SER 74 OK 14 73 - 18 - 9595/4.1=5, 9590/2.9=4...(8) Peak 9576 from nnoeabs.peaks (0.29, 8.41, 115.94 ppm; 5.02 A): 1 out of 1 assignment used, quality = 0.76: QG2 VAL 93 + H SER 74 OK 76 100 - 76 - 9571/3.6=28...(7) Peak 9577 from nnoeabs.peaks (1.04, 8.41, 115.94 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.73: QG2 VAL 133 + H SER 74 OK 73 98 - 75 - 2.1/11123=45...(6) Peak 9582 from nnoeabs.peaks (8.02, 8.41, 115.94 ppm; 4.90 A): 0 out of 2 assignments used, low quality = 0.10: H ALA 16 - H SER 74 OK 10 81 - 13 - 4.6/7005=6, 3.6/7011=4 H ALA 52 - H SER 74 lone 2 92 - 2 - 6643/10808=1 Peak 9583 from nnoeabs.peaks (7.55, 7.79, 107.45 ppm; 4.60 A): 0 out of 3 assignments used, low quality = 0.00: HE22 GLN 61 - H GLY 75 lone 2 92 - 2 - H THR 54 - H GLY 75 lone 1 92 - 2 - H GLN 82 - H GLY 75 lone 1 100 - 1 - Peak 9585 from nnoeabs.peaks (3.14, 7.79, 107.45 ppm; 6.18 A): 0 out of 2 assignments used, low quality = 0.11: HB3 CYS 45 - H GLY 75 OK 11 65 - 17 - ~1436=8, ~6533=3...(4) HB2 HIS 8 - H GLY 75 lone 3 87 - 3 - Peak 9586 from nnoeabs.peaks (2.77, 7.79, 107.45 ppm; 5.54 A): 0 out of 2 assignments used, low quality = 0.39: HB2 ASP 131 - H GLY 75 OK 39 100 - 39 - ~11646=11, 11129/4.6=9...(9) HB3 ASN 13 - H GLY 75 lone 6 100 - 5 - 11129/4.6=2, 11129/4.6=2 Peak 9593 from nnoeabs.peaks (1.05, 7.79, 107.45 ppm; 5.69 A): 0 out of 1 assignment used, low quality = 0.28: QG2 VAL 133 - H GLY 75 OK 28 81 - 35 - ~11930=16, 10562/3.1=7...(6) Peak 9595 from nnoeabs.peaks (0.77, 7.79, 107.45 ppm; 4.79 A): 3 out of 3 assignments used, quality = 0.65: QD1 ILE 32 + H GLY 75 OK 35 81 - 43 - 9608/2.9=16...(9) QD1 LEU 96 + H GLY 75 OK 33 99 - 34 - 9575/4.1=15, 9608/2.9=6...(7) QD1 ILE 37 + H GLY 75 OK 19 65 - 29 - ~11135=9, 9608/2.9=5...(6) Peak 9601 from nnoeabs.peaks (2.34, 8.04, 121.95 ppm; 5.46 A): 2 out of 3 assignments used, quality = 0.86: HB VAL 77 + H TYR 76 OK 84 87 - 97 - 2.1/9611=46, 4.5/7033=36...(12) HG2 GLU 44 + H TYR 76 OK 11 98 - 11 - 7042/3.1=4, 7051/7033=3 HG3 GLU 30 - H TYR 76 lone 5 65 - 8 - 7042/3.1=2, 2396/9611=2 Peak 9609 from nnoeabs.peaks (0.64, 8.04, 121.95 ppm; 4.50 A): 2 out of 2 assignments used, quality = 0.65: QD1 LEU 42 + H TYR 76 OK 51 96 - 53 - 9635/3.8=20, 9615/3.0=19...(8) QD1 ILE 129 + H TYR 76 OK 29 98 - 29 - 9617/3.8=8, 9635/3.8=5...(11) Peak 9610 from nnoeabs.peaks (0.79, 8.04, 121.95 ppm; 5.36 A): 5 out of 6 assignments used, quality = 0.79: QD1 LEU 103 + H TYR 76 OK 44 87 - 51 - 11710/3.0=23...(7) QD2 LEU 122 + H TYR 76 OK 35 100 - 35 - 11828/3.8=29, 3.9/3863=3 QD1 ILE 37 + H TYR 76 OK 22 65 - 34 - 3.0/11135=20, ~10919=13 QD1 LEU 53 + H TYR 76 OK 14 87 - 16 - 11728=5, 1677/3.1=2...(6) QG1 VAL 63 + H TYR 76 OK 12 92 - 13 - 11017/9609=5...(3) QD2 LEU 49 - H TYR 76 lone 5 65 - 7 - 5.0/6596=3 Peak 9611 from nnoeabs.peaks (1.06, 8.04, 121.95 ppm; 4.61 A): 1 out of 1 assignment used, quality = 0.94: QG1 VAL 77 + H TYR 76 OK 94 100 - 94 - 7043/3.1=44, 4.2/7033=29...(16) Peak 9612 from nnoeabs.peaks (1.20, 8.04, 121.95 ppm; 5.02 A): 0 out of 1 assignment used, low quality = 0.00: QG2 THR 25 - H TYR 76 lone 2 65 - 4 - ~7017=2 Peak 9636 from nnoeabs.peaks (0.81, 7.54, 116.56 ppm; 5.58 A): 4 out of 4 assignments used, quality = 0.94: QG2 ILE 80 + H VAL 77 OK 89 99 - 90 - 3.1/9637=41, ~9643=28...(14) QG2 ILE 129 + H VAL 77 OK 19 57 - 34 - ~9609=9, 2474/9637=5...(13) QD1 LEU 70 + H VAL 77 OK 17 81 - 21 - 9490/4.5=13, 2474/9637=3...(5) QD1 LEU 122 + H VAL 77 OK 16 92 - 17 - ~9610=7, 9690/4.5=2...(4) Peak 9637 from nnoeabs.peaks (0.27, 7.54, 116.56 ppm; 4.80 A): 1 out of 1 assignment used, quality = 0.93: QD1 ILE 80 + H VAL 77 OK 93 100 - 93 - 9643/3.0=41, 9649/4.0=35...(14) Peak 9665 from nnoeabs.peaks (7.06, 7.54, 116.56 ppm; 5.10 A): 2 out of 2 assignments used, quality = 0.84: QD PHE 89 + H VAL 77 OK 78 96 - 82 - 9667/3.0=37, 9677/4.0=31...(7) HE ARG 135 + H VAL 77 OK 26 57 - 45 - 9674/4.0=25, 9672/3.9=9...(5) Peak 9680 from nnoeabs.peaks (6.96, 7.58, 116.40 ppm; 4.34 A): 2 out of 2 assignments used, quality = 0.77: H ILE 80 + H ASP 78 OK 74 92 - 81 - 9703=32, 4.6/7059=27...(9) HE21 GLN 104 + H ASP 78 OK 12 96 - 13 - 9668/3.6=8, 2471/9689=2...(4) Peak 9681 from nnoeabs.peaks (6.49, 7.58, 116.40 ppm; 5.33 A): 1 out of 1 assignment used, quality = 0.54: QD TYR 76 + H ASP 78 OK 54 65 - 82 - 5.0/7045=38, 4.6/7033=35...(6) Peak 9687 from nnoeabs.peaks (4.11, 7.58, 116.40 ppm; 5.34 A): 3 out of 6 assignments used, quality = 0.78: HA CYS 79 + H ASP 78 OK 66 98 - 68 - 2.9/7059=49, 3.6/9680=33 HA ILE 32 + H ASP 78 OK 21 100 - 21 - 10824/4.1=11...(5) HA LEU 48 + H ASP 78 OK 17 100 - 17 - 1483/4.6=9, 7069/9703=3...(4) HA LEU 98 - H ASP 78 lone 6 98 - 6 - 7063/4.6=3, 7069/9703=2 HA LEU 49 - H ASP 78 lone 5 99 - 5 - 7063/4.6=3 HA GLN 101 - H ASP 78 lone 2 87 - 2 - Peak 9689 from nnoeabs.peaks (0.27, 7.58, 116.40 ppm; 5.92 A): 1 out of 1 assignment used, quality = 0.91: QD1 ILE 80 + H ASP 78 OK 91 96 - 96 - 9719/4.2=39, 9643/3.6=38...(9) Peak 9690 from nnoeabs.peaks (0.81, 7.58, 116.40 ppm; 5.82 A): 1 out of 4 assignments used, quality = 0.70: QG2 ILE 80 + H ASP 78 OK 70 99 - 70 - 4.0/9680=35, 3.1/9689=34...(4) QG2 ILE 129 - H ASP 78 poor 9 57 - 16 - 9636/4.5=4, 2474/9689=4...(4) QD1 LEU 70 - H ASP 78 lone 8 81 - 10 - 9636/4.5=4, 2474/9689=2 QD1 LEU 122 - H ASP 78 lone 8 92 - 8 - 9636/4.5=3, 9646/4.5=2 Peak 9696 from nnoeabs.peaks (1.21, 8.04, 116.97 ppm; 4.30 A): 1 out of 1 assignment used, quality = 0.51: HG12 ILE 80 + H CYS 79 OK 51 98 - 53 - 4.4/7066=27, 1.8/9698=19...(7) Peak 9697 from nnoeabs.peaks (1.07, 8.04, 116.97 ppm; 4.48 A): 1 out of 1 assignment used, quality = 0.73: QG1 VAL 77 + H CYS 79 OK 73 87 - 84 - 4.2/7059=32, 9692/4.3=22...(13) Peak 9698 from nnoeabs.peaks (0.82, 8.04, 116.97 ppm; 4.41 A): 2 out of 3 assignments used, quality = 0.83: HG13 ILE 80 + H CYS 79 OK 64 100 - 65 - 1.8/9696=40, 4.4/7066=29...(5) QG2 ILE 129 + H CYS 79 OK 51 99 - 51 - 3.2/9700=25, 3.2/9702=12...(10) QD1 LEU 70 - H CYS 79 lone 9 92 - 10 - 7076/4.6=3, 2462/9696=2 Peak 9699 from nnoeabs.peaks (0.28, 8.04, 116.97 ppm; 4.81 A): 0 out of 1 assignment used, low quality = 0.22: QG2 VAL 93 - H CYS 79 OK 22 96 - 23 - 9648/9697=9, 9959/4.3=5...(4) Peak 9700 from nnoeabs.peaks (1.75, 8.04, 116.97 ppm; 4.31 A): 0 out of 6 assignments used, low quality = 0.33: HG13 ILE 129 - H CYS 79 OK 33 87 - 38 - 3.2/9698=12, 3.7/9702=10...(11) HB2 LYS 31 - H CYS 79 lone 2 81 - 3 - HB2 LYS 26 - H CYS 79 lone 2 100 - 2 - HB2 LYS 24 - H CYS 79 lone 1 98 - 1 - HB2 LYS 19 - H CYS 79 lone 1 100 - 1 - HB2 ARG 23 - H CYS 79 lone 1 92 - 1 - Peak 9702 from nnoeabs.peaks (3.46, 8.04, 116.97 ppm; 4.83 A): 2 out of 2 assignments used, quality = 0.77: HA VAL 77 + H CYS 79 OK 58 73 - 78 - 3.6/7059=41, 3.2/9697=35...(7) HA ILE 129 + H CYS 79 OK 47 87 - 54 - 3.7/9700=26, 3.2/9698=14...(10) Peak 9703 from nnoeabs.peaks (7.59, 6.96, 123.17 ppm; 4.34 A): 1 out of 2 assignments used, quality = 0.68: H ASP 78 + H ILE 80 OK 68 87 - 79 - 9680=28, 4.6/7066=26...(9) HD21 ASN 13 - H ILE 80 lone 1 73 - 1 - Peak 9704 from nnoeabs.peaks (6.47, 6.96, 123.17 ppm; 5.00 A): 1 out of 1 assignment used, quality = 0.81: QE TYR 76 + H ILE 80 OK 81 99 - 81 - 9737/3.0=29, 9746/5.0=29...(9) Peak 9707 from nnoeabs.peaks (6.49, 8.04, 116.97 ppm; 5.15 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9708 from nnoeabs.peaks (1.06, 6.96, 123.17 ppm; 6.43 A): 1 out of 1 assignment used, quality = 0.88: QG1 VAL 77 + H ILE 80 OK 88 99 - 88 - 3.2/9712=45, 4.2/9703=44...(6) Peak 9709 from nnoeabs.peaks (1.44, 6.96, 123.17 ppm; 5.31 A): 0 out of 5 assignments used, low quality = 0.00: HG2 LYS 31 - H ILE 80 lone 8 100 - 8 - 3.0/7073=3, ~2438=2, 823/3.9=1 HG13 ILE 32 - H ILE 80 lone 7 99 - 7 - 920/3.6=3, 4.1/7069=2 HG2 LYS 26 - H ILE 80 lone 3 73 - 4 - 9720/5.0=1 HG3 LYS 19 - H ILE 80 lone 2 98 - 2 - HG3 LYS 24 - H ILE 80 lone 1 92 - 2 - Peak 9712 from nnoeabs.peaks (3.45, 6.96, 123.17 ppm; 5.17 A): 1 out of 1 assignment used, quality = 0.79: HA VAL 77 + H ILE 80 OK 79 96 - 82 - 3.6/9703=37, 9643/5.0=29...(8) Peak 9733 from nnoeabs.peaks (3.87, 6.96, 123.17 ppm; 5.38 A): 0 out of 1 assignment used, low quality = 0.32: HD2 PRO 117 - H ILE 80 OK 32 65 - 48 - 11171/4.0=39, 3.6/9734=9 Peak 9734 from nnoeabs.peaks (4.38, 6.96, 123.17 ppm; 4.72 A): 2 out of 4 assignments used, quality = 0.60: HA ASP 78 + H ILE 80 OK 49 73 - 67 - 3.6/7066=38, 2.9/9703=36...(5) HA PRO 117 + H ILE 80 OK 21 65 - 32 - 3.6/9733=25, ~11168=4 HA CYS 73 - H ILE 80 poor 8 65 - 13 - 11125/9703=6, 7060/4.6=4 HA PRO 113 - H ILE 80 lone 6 96 - 6 - 10150/3.0=2, 11515/7072=2 Peak 9777 from nnoeabs.peaks (2.45, 9.00, 120.08 ppm; 4.88 A): 1 out of 1 assignment used, quality = 0.74: HG3 GLN 82 + H ARG 84 OK 74 96 - 78 - 11230=36, 2.9/9778=35...(5) Peak 9778 from nnoeabs.peaks (2.21, 9.00, 120.08 ppm; 4.39 A): 1 out of 4 assignments used, quality = 0.47: HB2 GLN 82 + H ARG 84 OK 47 70 - 67 - 2.9/9777=28...(5) HB2 GLN 101 - H ARG 84 lone 3 93 - 3 - 11277/3.7=1 HB3 GLU 97 - H ARG 84 lone 1 84 - 1 - HB2 GLN 68 - H ARG 84 lone 0 62 - 1 - Peak 9779 from nnoeabs.peaks (4.61, 9.00, 120.08 ppm; 5.25 A): 1 out of 2 assignments used, quality = 0.47: HA GLN 82 + H ARG 84 OK 47 62 - 76 - 3.6/11196=39...(4) HA HIS 3 - H ARG 84 lone 1 93 - 1 - Peak 9787 from nnoeabs.peaks (0.82, 7.27, 117.40 ppm; 5.17 A): 4 out of 4 assignments used, quality = 0.79: QG2 ILE 80 + H ASN 85 OK 51 92 - 56 - 11173/3.6=33...(5) QG2 ILE 129 + H ASN 85 OK 32 98 - 32 - 9753/3.9=20, 9810/5.3=4...(6) HG13 ILE 80 + H ASN 85 OK 29 92 - 32 - 9810/5.3=10, 9813/3.9=10...(5) QD1 LEU 70 + H ASN 85 OK 13 100 - 12 - 9813/3.9=3, 9831/7115=2...(6) Peak 9796 from nnoeabs.peaks (2.45, 7.25, 114.49 ppm; 4.43 A): 1 out of 1 assignment used, quality = 0.77: HG3 GLN 82 + HD21 ASN 85 OK 77 99 - 77 - 11239/1.7=36, 11226=32...(8) Peak 9797 from nnoeabs.peaks (2.21, 7.25, 114.49 ppm; 4.48 A): 2 out of 4 assignments used, quality = 0.66: HB2 GLN 82 + HD21 ASN 85 OK 51 65 - 78 - 2.9/9796=33, ~11232=28...(7) HB3 GLU 97 + HD21 ASN 85 OK 30 92 - 33 - 11365/3.5=19, 11366/3.5=16 HB2 GLN 68 - HD21 ASN 85 lone 3 73 - 4 - ~9804=2 HB2 GLN 101 - HD21 ASN 85 lone 2 92 - 2 - Peak 9798 from nnoeabs.peaks (2.08, 7.25, 114.49 ppm; 4.14 A): 0 out of 6 assignments used, low quality = 0.44: HB2 GLU 102 - HD21 ASN 85 OK 26 98 - 27 - 3339/1.7=10, ~3347=6...(6) HB3 LYS 39 - HD21 ASN 85 OK 25 100 - 25 - 2.9/9801=9, 9805/1.7=6...(6) HB2 GLU 128 - HD21 ASN 85 lone 5 99 - 5 - ~10448=2, 9805/1.7=1 HB3 GLU 44 - HD21 ASN 85 lone 3 100 - 3 - HG3 GLN 134 - HD21 ASN 85 lone 2 98 - 2 - HG3 PRO 58 - HD21 ASN 85 lone 1 81 - 1 - Peak 9799 from nnoeabs.peaks (1.82, 7.25, 114.49 ppm; 5.12 A): 0 out of 11 assignments used, low quality = 0.15: HB3 ARG 135 - HD21 ASN 85 OK 15 99 - 15 - 1.8/11279=11, 4322/11279=2 HB2 LEU 100 - HD21 ASN 85 lone 4 99 - 4 - ~3228=2 HB3 ARG 23 - HD21 ASN 85 lone 3 98 - 3 - ~10290=1 HB3 LYS 31 - HD21 ASN 85 lone 2 73 - 2 - HB ILE 32 - HD21 ASN 85 lone 2 99 - 2 - HB3 LEU 123 - HD21 ASN 85 lone 2 74 - 2 - HB2 LYS 36 - HD21 ASN 85 lone 1 98 - 1 - HB3 LYS 24 - HD21 ASN 85 lone 1 87 - 2 - HB3 LYS 26 - HD21 ASN 85 lone 1 100 - 1 - HB3 LYS 19 - HD21 ASN 85 lone 1 73 - 2 - HB VAL 93 - HD21 ASN 85 lone 1 73 - 1 - Peak 9800 from nnoeabs.peaks (1.69, 7.25, 114.49 ppm; 5.27 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9801 from nnoeabs.peaks (1.14, 7.25, 114.49 ppm; 4.94 A): 2 out of 4 assignments used, quality = 0.72: QG2 VAL 132 + HD21 ASN 85 OK 56 98 - 57 - 9794/3.5=23, ~11660=22...(7) HG2 LYS 39 + HD21 ASN 85 OK 37 81 - 46 - 2.9/9798=17, ~9808=16...(6) HB3 LEU 62 - HD21 ASN 85 lone 4 98 - 4 - 9794/3.5=3 QG2 THR 115 - HD21 ASN 85 lone 2 81 - 2 - Peak 9802 from nnoeabs.peaks (0.83, 7.25, 114.49 ppm; 4.72 A): 2 out of 3 assignments used, quality = 0.62: HG13 ILE 80 + HD21 ASN 85 OK 55 98 - 56 - 9810/1.7=16, ~11173=16...(9) QG2 ILE 129 + HD21 ASN 85 OK 16 92 - 17 - 9810/1.7=6, 9715/9796=6...(4) QD1 LEU 70 - HD21 ASN 85 lone 5 73 - 7 - 9810/1.7=3, 11262/9796=1 Peak 9803 from nnoeabs.peaks (2.46, 8.08, 114.49 ppm; 4.63 A): 1 out of 1 assignment used, quality = 0.53: HG3 GLN 82 + HD22 ASN 85 OK 53 81 - 66 - 9796/1.7=35, 11239=28...(5) Peak 9804 from nnoeabs.peaks (2.19, 8.08, 114.49 ppm; 5.58 A): 0 out of 3 assignments used, low quality = 0.14: HB2 GLN 104 - HD22 ASN 85 OK 14 99 - 14 - 3.9/7485=6, 4.4/7519=6 HB VAL 133 - HD22 ASN 85 lone 7 98 - 7 - 11798/9809=2...(3) HB3 GLN 68 - HD22 ASN 85 lone 2 65 - 4 - ~9797=1 Peak 9805 from nnoeabs.peaks (2.08, 8.08, 114.49 ppm; 4.32 A): 3 out of 7 assignments used, quality = 0.84: HB3 GLN 82 + HD22 ASN 85 OK 57 81 - 71 - 2.9/9803=29, ~9796=21...(7) HB2 GLU 102 + HD22 ASN 85 OK 44 98 - 46 - 9798/1.7=13, 3339=13...(8) HB3 LYS 39 + HD22 ASN 85 OK 33 87 - 38 - 3.6/9808=13, 9798/1.7=12...(6) HB2 GLU 128 - HD22 ASN 85 lone 9 96 - 9 - 9798/1.7=2, ~10448=2 HG3 GLN 134 - HD22 ASN 85 lone 5 98 - 5 - 11685/11415=1, 9798/1.7=1 HB3 GLU 44 - HD22 ASN 85 lone 4 81 - 5 - 9798/1.7=1 HB VAL 57 - HD22 ASN 85 lone 1 92 - 1 - Peak 9806 from nnoeabs.peaks (1.92, 8.08, 114.49 ppm; 6.13 A): 0 out of 5 assignments used, low quality = 0.10: HB2 PRO 113 - HD22 ASN 85 OK 10 87 - 12 - ~9789=7, 10140/3804=2 HB3 LEU 49 - HD22 ASN 85 lone 3 100 - 3 - HB2 ARG 90 - HD22 ASN 85 lone 3 98 - 3 - HB2 MET 11 - HD22 ASN 85 lone 2 81 - 3 - HB3 LEU 123 - HD22 ASN 85 lone 2 46 - 3 - Peak 9807 from nnoeabs.peaks (1.80, 8.08, 114.49 ppm; 6.04 A): 4 out of 5 assignments used, quality = 0.71: HB2 ARG 84 + HD22 ASN 85 OK 44 73 - 59 - ~11279=26, ~11863=19...(6) HB3 LEU 103 + HD22 ASN 85 OK 27 73 - 38 - 3.0/3362=6, 3.1/11415=6...(10) HB2 LYS 86 + HD22 ASN 85 OK 16 87 - 18 - 4.0/7137=14 HB3 LEU 122 + HD22 ASN 85 OK 15 81 - 19 - ~9793=2, ~9791=2...(7) HB3 LEU 123 - HD22 ASN 85 lone 2 43 - 4 - Peak 9808 from nnoeabs.peaks (1.68, 8.08, 114.49 ppm; 6.80 A): 0 out of 1 assignment used, low quality = 0.44: HD2 LYS 39 - HD22 ASN 85 OK 44 99 - 44 - ~9801=15, 3.0/9809=14...(6) Peak 9809 from nnoeabs.peaks (1.13, 8.08, 114.49 ppm; 5.48 A): 3 out of 4 assignments used, quality = 0.96: QG1 VAL 132 + HD22 ASN 85 OK 78 98 - 79 - 11660/3.5=38...(10) HG2 LYS 39 + HD22 ASN 85 OK 57 100 - 58 - 3.0/9808=24, ~9798=14...(8) QG2 VAL 132 + HD22 ASN 85 OK 54 92 - 59 - ~11660=27, 9801/1.7=13...(8) QG2 THR 115 - HD22 ASN 85 lone 4 100 - 4 - Peak 9810 from nnoeabs.peaks (0.82, 8.08, 114.49 ppm; 4.96 A): 4 out of 4 assignments used, quality = 0.84: HG13 ILE 80 + HD22 ASN 85 OK 65 100 - 65 - 9802/1.7=28, ~11173=18...(9) QG2 ILE 80 + HD22 ASN 85 OK 32 65 - 49 - ~9802=18, 11173/3.5=17...(5) QG2 ILE 129 + HD22 ASN 85 OK 25 100 - 25 - 9802/1.7=8, 9715/9803=8...(6) QD1 LEU 70 + HD22 ASN 85 OK 11 96 - 11 - 9802/1.7=3, 9787/5.3=2...(4) Peak 9813 from nnoeabs.peaks (0.83, 8.34, 124.24 ppm; 4.06 A): 3 out of 3 assignments used, quality = 0.75: HG13 ILE 80 + H LYS 86 OK 56 98 - 57 - ~9820=16, 2.1/11182=10...(14) QG2 ILE 129 + H LYS 86 OK 33 92 - 36 - 9753=15, 10481/4.5=6...(10) QD1 LEU 70 + H LYS 86 OK 15 73 - 20 - 9831/4.3=3, 2261/2.9=3...(7) Peak 9816 from nnoeabs.peaks (3.23, 8.08, 114.49 ppm; 5.71 A): 0 out of 5 assignments used, low quality = 0.28: HD3 ARG 135 - HD22 ASN 85 OK 19 96 - 19 - 11885/5.3=13...(4) HB2 PHE 87 - HD22 ASN 85 OK 12 100 - 12 - 2731/5.3=8, 9844/7137=2 HB3 PHE 87 - HD22 ASN 85 poor 10 96 - 10 - 2740/5.3=7, 9844/7137=2 HB2 HIS 5 - HD22 ASN 85 lone 2 99 - 2 - HB3 HIS 4 - HD22 ASN 85 lone 2 99 - 2 - Peak 9817 from nnoeabs.peaks (3.24, 8.34, 124.24 ppm; 5.18 A): 3 out of 5 assignments used, quality = 0.94: HB3 PHE 87 + H LYS 86 OK 72 99 - 73 - 4.0/7154=32, 4.5/7175=25...(9) HB2 PHE 87 + H LYS 86 OK 62 87 - 72 - 4.0/7154=32, 4.5/7175=25...(9) HD3 ARG 135 + H LYS 86 OK 41 99 - 42 - 10623/4.3=19...(7) HB2 HIS 5 - H LYS 86 lone 3 96 - 3 - 49/6.9=1 HB3 HIS 4 - H LYS 86 lone 2 96 - 2 - Peak 9829 from nnoeabs.peaks (1.21, 8.12, 118.33 ppm; 5.16 A): 0 out of 1 assignment used, low quality = 0.18: HG12 ILE 80 - H PHE 87 OK 18 96 - 19 - 1.8/9831=12, 3.2/9831=5 Peak 9830 from nnoeabs.peaks (1.15, 8.12, 118.33 ppm; 5.99 A): 0 out of 2 assignments used, low quality = 0.18: QG2 VAL 132 - H PHE 87 OK 18 81 - 23 - 9867/7171=9, 9476/4.3=8 HB3 LEU 62 - H PHE 87 lone 6 100 - 6 - ~9841=2, 9867/7171=1 Peak 9831 from nnoeabs.peaks (0.82, 8.12, 118.33 ppm; 5.66 A): 4 out of 4 assignments used, quality = 0.92: HG13 ILE 80 + H PHE 87 OK 64 100 - 64 - 1.8/9829=46, 9813/4.3=19...(4) QD1 LEU 70 + H PHE 87 OK 46 96 - 48 - 9498/4.0=31, 2261/3.6=6...(6) QG2 ILE 129 + H PHE 87 OK 40 100 - 40 - 9753/4.3=23, 11282/4.6=8...(6) QG2 ILE 80 + H PHE 87 OK 33 65 - 51 - 3.2/9829=38...(5) Peak 9866 from nnoeabs.peaks (1.42, 8.69, 120.07 ppm; 5.63 A): 3 out of 4 assignments used, quality = 0.83: QB ALA 92 + H PHE 89 OK 60 87 - 69 - 2897/2.9=29, ~2763=25...(9) HG2 LYS 86 + H PHE 89 OK 53 98 - 54 - 3.7/2621=31...(7) QB ALA 34 + H PHE 89 OK 12 92 - 13 - 2614/2621=4, 7158/7171=3...(4) HG2 LYS 26 - H PHE 89 lone 6 65 - 8 - 2764/2.9=3, 2.9/7195=1 Peak 9867 from nnoeabs.peaks (1.14, 8.69, 120.07 ppm; 3.63 A): 2 out of 4 assignments used, quality = 0.57: QG2 VAL 132 + H PHE 89 OK 45 92 - 49 - 9873/2.9=15, 10551=13...(9) HG2 LYS 39 + H PHE 89 OK 23 65 - 35 - 9873/2.9=7, 2.9/1160=6...(10) HB3 LEU 62 - H PHE 89 lone 5 100 - 5 - 9873/2.9=2 QG2 THR 115 - H PHE 89 lone 3 65 - 5 - 9873/2.9=1 Peak 9868 from nnoeabs.peaks (0.81, 8.69, 120.07 ppm; 4.83 A): 0 out of 3 assignments used, low quality = 0.37: QG2 ILE 80 - H PHE 89 OK 37 98 - 38 - ~9874=16, 9882/4.2=11...(5) QD1 LEU 70 - H PHE 89 poor 9 73 - 12 - 9497/3.5=4, 3.8/7190=3 QD1 LEU 122 - H PHE 89 lone 8 96 - 9 - 9819/2621=4, 9882/4.2=2 Peak 9869 from nnoeabs.peaks (0.28, 8.69, 120.07 ppm; 4.55 A): 0 out of 1 assignment used, low quality = 0.21: QG2 VAL 93 - H PHE 89 OK 21 73 - 29 - 9924/4.2=13, 11326/6.2=9...(5) Peak 9870 from nnoeabs.peaks (1.99, 8.69, 120.07 ppm; 5.30 A): 2 out of 7 assignments used, quality = 0.65: HB2 GLU 91 + H PHE 89 OK 56 100 - 56 - 2860/3.6=27, 4.0/7228=23 HG2 PRO 81 + H PHE 89 OK 19 92 - 21 - 9865/3.7=11, 2748/3.6=9 HB2 GLU 55 - H PHE 89 lone 8 98 - 8 - 2748/3.6=3, 7239/7228=2 HB3 LEU 53 - H PHE 89 lone 4 100 - 4 - 2748/3.6=1 HB ILE 129 - H PHE 89 lone 3 65 - 5 - 2748/3.6=1, 9865/3.7=1 HB3 PRO 56 - H PHE 89 lone 2 81 - 3 - HB VAL 20 - H PHE 89 lone 2 73 - 2 - Peak 9893 from nnoeabs.peaks (1.44, 8.56, 117.97 ppm; 5.83 A): 3 out of 5 assignments used, quality = 0.92: QB ALA 92 + H ARG 90 OK 70 87 - 81 - 3.0/7224=44, 2897/3.6=28...(8) HG13 ILE 32 + H ARG 90 OK 67 98 - 68 - 1.8/9894=34...(7) HG2 LYS 26 + H ARG 90 OK 21 98 - 21 - 4.0/7206=6, 9902/4.0=5...(6) HG3 LYS 19 - H ARG 90 lone 7 73 - 10 - 4.2/7206=5, 9902/4.0=2 HG2 LYS 31 - H ARG 90 lone 4 87 - 5 - 916/9894=2 Peak 9894 from nnoeabs.peaks (1.16, 8.56, 117.97 ppm; 4.25 A): 0 out of 2 assignments used, low quality = 0.42: HG12 ILE 32 - H ARG 90 OK 32 87 - 36 - ~9899=9, 1.8/9893=8...(7) HG3 LYS 39 - H ARG 90 OK 15 100 - 15 - 9880/5.0=7, 4.7/7209=5...(4) Peak 9896 from nnoeabs.peaks (0.29, 8.56, 117.97 ppm; 4.75 A): 1 out of 1 assignment used, quality = 0.74: QG2 VAL 93 + H ARG 90 OK 74 96 - 78 - 9900/2.9=28, ~2793=21...(11) Peak 9901 from nnoeabs.peaks (1.69, 8.13, 119.27 ppm; 4.79 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9902 from nnoeabs.peaks (1.44, 8.13, 119.27 ppm; 4.43 A): 3 out of 5 assignments used, quality = 0.68: QB ALA 92 + H GLU 91 OK 55 87 - 64 - 3.0/7243=40, 3.7/7263=20...(6) HG13 ILE 32 + H GLU 91 OK 18 98 - 19 - 10845/4.4=10, 9893/4.0=7 HG2 LYS 26 + H GLU 91 OK 12 98 - 12 - 4.0/7226=4, 9893/4.0=2...(4) HG3 LYS 19 - H GLU 91 lone 4 73 - 5 - 4.2/7226=4 HG2 LYS 31 - H GLU 91 lone 1 87 - 2 - Peak 9919 from nnoeabs.peaks (7.33, 8.13, 119.27 ppm; 5.51 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9926 from nnoeabs.peaks (2.23, 8.43, 119.94 ppm; 6.21 A): 2 out of 7 assignments used, quality = 0.95: HB3 LEU 96 + H VAL 93 OK 81 96 - 85 - 9973/3.9=29, 3074/2.9=27...(14) HG2 GLU 91 + H VAL 93 OK 71 92 - 77 - 2882/4.0=37, 4.7/7263=30...(9) HB3 GLU 102 - H VAL 93 OK 30 98 - 31 - 11315/3.7=6, 3342/3.6=6...(6) HB3 GLU 128 - H VAL 93 OK 25 81 - 31 - 11315/3.7=11, 7254/4.0=7...(7) HG2 GLN 68 - H VAL 93 OK 18 100 - 18 - 3.7/11039=3, 2910/2.9=3...(7) HB3 GLN 127 - H VAL 93 OK 14 87 - 16 - 11315/3.7=5, 7254/4.0=2...(5) HB3 GLN 104 - H VAL 93 OK 14 57 - 24 - 3.0/7261=11, 7254/4.0=3...(5) Peak 9930 from nnoeabs.peaks (3.25, 7.82, 123.43 ppm; 5.89 A): 1 out of 2 assignments used, quality = 0.97: HA VAL 93 + H ALA 92 OK 97 99 - 98 - 2.9/7265=49, 3.2/9936=46...(13) HB3 HIS 10 - H ALA 92 OK 32 99 - 32 - 11310/4.1=14, 7268/4.0=9...(6) Peak 9933 from nnoeabs.peaks (1.14, 7.82, 123.43 ppm; 4.95 A): 5 out of 5 assignments used, quality = 0.73: QG2 VAL 132 + H ALA 92 OK 45 100 - 45 - 9947/3.0=16, ~11658=15...(7) HB3 LEU 62 + H ALA 92 OK 22 87 - 25 - 9947/3.0=9, ~9941=6...(5) QG1 VAL 132 + H ALA 92 OK 20 73 - 27 - 11658/3.0=13, ~9947=11 QG2 THR 115 + H ALA 92 OK 13 96 - 14 - 10186/9939=8, 9947/3.0=2 HG2 LYS 39 + H ALA 92 OK 10 96 - 11 - 9947/3.0=5, 9873/7247=4 Peak 9934 from nnoeabs.peaks (0.75, 7.82, 123.43 ppm; 4.88 A): 3 out of 5 assignments used, quality = 0.99: QG1 VAL 93 + H ALA 92 OK 92 98 - 94 - 2.1/9936=45, 3.9/7265=35...(10) HG12 ILE 129 + H ALA 92 OK 69 98 - 70 - ~11317=19, 10483/3.0=19...(12) QD2 LEU 96 + H ALA 92 OK 50 99 - 51 - 3092/2.9=9, 7271/4.0=8...(15) QD2 LEU 43 - H ALA 92 OK 18 73 - 25 - ~9941=9, ~11318=6...(7) QD2 LEU 103 - H ALA 92 lone 5 87 - 6 - 3409/9026=2 Peak 9936 from nnoeabs.peaks (0.29, 7.82, 123.43 ppm; 4.20 A): 1 out of 1 assignment used, quality = 0.85: QG2 VAL 93 + H ALA 92 OK 85 100 - 85 - 7270/4.0=30, 9945/3.0=26...(11) Peak 9938 from nnoeabs.peaks (1.66, 7.82, 123.43 ppm; 4.50 A): 0 out of 13 assignments used, low quality = 0.39: QB ALA 88 - H ALA 92 OK 39 98 - 40 - 2.1/7246=22, 9865/4.6=12...(4) HD2 LYS 86 - H ALA 92 lone 9 92 - 10 - 3.0/7257=2, 2685/3.0=1, ~2696=1 HD3 LYS 86 - H ALA 92 lone 9 92 - 10 - 3.0/7257=2, 2685/3.0=1, ~2696=1 HD2 LYS 26 - H ALA 92 lone 9 96 - 9 - 2.9/7257=4, ~2892=2 HD3 LYS 95 - H ALA 92 lone 9 92 - 9 - ~9928=7 HD3 LYS 26 - H ALA 92 lone 8 87 - 9 - 2.9/7257=4, ~2892=2 HD3 LYS 36 - H ALA 92 lone 5 87 - 6 - 6.1/7259=2, 10918/9026=2 HD2 LYS 36 - H ALA 92 lone 5 87 - 6 - 6.1/7259=2, 10918/9026=2 HB2 LEU 69 - H ALA 92 lone 5 92 - 5 - 10918/9026=4 HD2 LYS 31 - H ALA 92 lone 3 98 - 3 - HD3 LYS 31 - H ALA 92 lone 3 96 - 3 - HD2 LYS 24 - H ALA 92 lone 2 98 - 2 - HD3 LYS 24 - H ALA 92 lone 2 96 - 2 - Peak 9939 from nnoeabs.peaks (1.84, 7.82, 123.43 ppm; 4.69 A): 0 out of 2 assignments used, low quality = 0.00: HB3 LEU 123 - H ALA 92 lone 5 98 - 5 - ~11318=4 HB2 CYS 79 - H ALA 92 lone 1 96 - 1 - Peak 9964 from nnoeabs.peaks (1.97, 8.43, 119.94 ppm; 5.06 A): 0 out of 2 assignments used, low quality = 0.27: HB ILE 37 - H VAL 93 OK 17 99 - 18 - 9948/3.7=7, 1087/3.6=5...(5) HB2 GLN 27 - H VAL 93 OK 11 92 - 12 - 9948/3.7=10 Peak 9965 from nnoeabs.peaks (0.63, 8.43, 119.94 ppm; 4.78 A): 2 out of 2 assignments used, quality = 0.63: QD1 ILE 129 + H VAL 93 OK 48 73 - 66 - 9967/3.9=23...(8) QD1 LEU 42 + H VAL 93 OK 29 100 - 29 - 9079/3.9=25, ~2909=3 Peak 9975 from nnoeabs.peaks (2.22, 7.71, 121.43 ppm; 4.97 A): 8 out of 8 assignments used, quality = 0.87: HG2 GLU 91 + H LYS 95 OK 42 98 - 43 - 3.9/7290=13, 9916/3.6=7...(9) HB3 GLU 97 + H LYS 95 OK 39 73 - 53 - 4.0/7335=32, 2937/3.6=23 HB3 GLU 128 + H LYS 95 OK 23 100 - 24 - 3.0/9976=10, ~4084=3...(7) HB3 GLN 127 + H LYS 95 OK 17 99 - 17 - 4049/3.6=4, 4051/4.4=4...(5) HB3 GLN 104 + H LYS 95 OK 16 99 - 16 - 3.0/9976=9, 9226/3.4=2...(4) HB3 GLU 102 + H LYS 95 OK 15 92 - 16 - 3.0/7291=3, ~7310=2...(6) HB2 GLN 68 + H LYS 95 OK 11 92 - 12 - 2937/3.6=3, ~7326=2...(5) HG2 GLN 68 + H LYS 95 OK 10 81 - 13 - 11830/9532=7, ~9226=1 Peak 9976 from nnoeabs.peaks (2.38, 7.71, 121.43 ppm; 6.80 A): 0 out of 2 assignments used, low quality = 0.21: HG2 GLU 128 - H LYS 95 OK 11 87 - 13 - 3.0/9975=6, ~9226=3 HG2 GLN 104 - H LYS 95 OK 11 100 - 11 - 3.0/9975=5, ~9226=3 Peak 9978 from nnoeabs.peaks (2.87, 7.71, 121.43 ppm; 5.73 A): 2 out of 4 assignments used, quality = 0.98: HE3 LYS 95 + H LYS 95 OK 86 87 - 99 - 6.7=62, 3.0/3021=26...(27) HE2 LYS 95 + H LYS 95 OK 86 87 - 99 - 6.7=62, 3.0/3021=26...(27) HB3 ASP 131 - H LYS 95 OK 26 73 - 36 - ~9985=17, 3.8/7307=9...(5) HB3 ASN 59 - H LYS 95 lone 9 100 - 9 - 9363/9980=3, 2958/2.9=1 Peak 9979 from nnoeabs.peaks (0.87, 7.71, 121.43 ppm; 5.06 A): 4 out of 4 assignments used, quality = 0.90: QD1 LEU 98 + H LYS 95 OK 62 87 - 72 - 11343/2.9=25, ~2963=15...(17) QD2 LEU 98 + H LYS 95 OK 53 73 - 73 - ~11343=17, ~2963=15...(17) QD2 LEU 69 + H LYS 95 OK 40 100 - 40 - 2.1/11082=28...(5) QG2 VAL 57 + H LYS 95 OK 10 87 - 12 - ~11917=4, 11343/2.9=3 Peak 9980 from nnoeabs.peaks (0.76, 7.71, 121.43 ppm; 4.57 A): 2 out of 2 assignments used, quality = 0.60: QD1 LEU 96 + H LYS 95 OK 50 65 - 77 - 11336/3.6=18, ~7327=17...(19) QD2 LEU 43 + H LYS 95 OK 19 73 - 26 - ~9225=14, 11336/3.6=11 Peak 9981 from nnoeabs.peaks (0.28, 7.71, 121.43 ppm; 5.74 A): 1 out of 1 assignment used, quality = 0.71: QG2 VAL 93 + H LYS 95 OK 71 73 - 96 - 4.3/7287=39, 3.9/7273=31...(15) Peak 9982 from nnoeabs.peaks (0.65, 8.27, 124.81 ppm; 4.48 A): 1 out of 1 assignment used, quality = 0.59: QD1 ILE 129 + H LEU 96 OK 59 96 - 62 - 10453=24, 10492/3.8=13...(13) Peak 9983 from nnoeabs.peaks (0.29, 8.27, 124.81 ppm; 5.77 A): 1 out of 1 assignment used, quality = 0.94: QG2 VAL 93 + H LEU 96 OK 94 100 - 94 - 3.2/7311=39, 9971/3.8=29...(15) Peak 9985 from nnoeabs.peaks (2.77, 8.27, 124.81 ppm; 6.80 A): 0 out of 2 assignments used, low quality = 0.35: HB2 ASP 131 - H LEU 96 OK 35 99 - 35 - 4.7/7912=8, 4196=7...(8) HB3 ASN 13 - H LEU 96 lone 9 100 - 9 - 10656/3.8=3, 9490/11099=1 Peak 9994 from nnoeabs.peaks (0.64, 8.50, 119.00 ppm; 5.78 A): 2 out of 2 assignments used, quality = 0.82: QD1 LEU 42 + H GLU 97 OK 63 100 - 63 - 2.1/9106=40...(8) QD1 ILE 129 + H GLU 97 OK 51 87 - 59 - 10453/3.7=18...(12) Peak 9995 from nnoeabs.peaks (0.29, 8.50, 119.00 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.87: QG2 VAL 93 + H GLU 97 OK 87 99 - 87 - 9983/3.7=41, 9971/4.4=35...(10) Peak 9997 from nnoeabs.peaks (1.67, 8.50, 119.00 ppm; 5.53 A): 4 out of 13 assignments used, quality = 0.65: HD3 LYS 95 + H GLU 97 OK 50 81 - 62 - 5.5/7335=28...(8) HD2 LYS 31 + H GLU 97 OK 12 92 - 13 - 2.9/7341=6, 11694/3098=2 HD3 LYS 31 + H GLU 97 OK 11 87 - 13 - 2.9/7341=6, 11694/3098=2 HB2 LEU 69 + H GLU 97 OK 11 98 - 11 - 3.7/7350=4, 11694/3098=3 HD2 LYS 24 - H GLU 97 lone 6 92 - 7 - 3.0/7339=1, 10572/11367=1 HD3 LYS 36 - H GLU 97 lone 6 96 - 6 - 3.0/7339=1 HD2 LYS 36 - H GLU 97 lone 6 96 - 6 - 3.0/7339=1 HD3 LYS 24 - H GLU 97 lone 6 87 - 7 - 10572/11367=1, 3.0/7339=1 HD2 LYS 26 - H GLU 97 lone 6 87 - 6 - 2.9/7339=1 HD3 LYS 26 - H GLU 97 lone 5 73 - 6 - 2.9/7339=1 QB ALA 88 - H GLU 97 lone 3 92 - 3 - HD2 LYS 86 - H GLU 97 lone 2 81 - 3 - HD3 LYS 86 - H GLU 97 lone 2 81 - 3 - Peak 9998 from nnoeabs.peaks (1.78, 8.50, 119.00 ppm; 5.26 A): 3 out of 3 assignments used, quality = 0.90: HG LEU 100 + H GLU 97 OK 68 100 - 69 - ~10001=31, ~3115=15...(11) HB3 LEU 98 + H GLU 97 OK 61 81 - 75 - 3.9/7356=39, 4.6/7373=34...(5) HB2 LEU 48 + H GLU 97 OK 22 98 - 22 - 3.0/10021=8, 7364/3.9=7...(5) Peak 10018 from nnoeabs.peaks (1.39, 7.74, 119.22 ppm; 5.15 A): 4 out of 6 assignments used, quality = 0.89: HG LEU 96 + H LEU 98 OK 65 96 - 68 - 5.0/7331=25, 3090/3.9=25...(7) HG2 LYS 95 + H LEU 98 OK 42 87 - 48 - 3.9/2961=35, 2.9/7363=6...(6) HG3 LYS 95 + H LEU 98 OK 36 73 - 48 - 3.9/2961=35, 2.9/7363=6...(6) HG3 LYS 31 + H LEU 98 OK 12 98 - 13 - 7341/3.9=4, 7327/7331=2 QB ALA 109 - H LEU 98 lone 5 92 - 5 - 7341/3.9=1 QB ALA 108 - H LEU 98 lone 2 65 - 2 - Peak 10026 from nnoeabs.peaks (0.80, 8.49, 120.88 ppm; 3.75 A): 3 out of 4 assignments used, quality = 0.67: QD2 LEU 49 + H LEU 100 OK 44 87 - 51 - 11384/2.9=18...(6) QD1 LEU 122 + H LEU 100 OK 33 96 - 35 - 11381/3.6=9, 11702/4.5=9...(9) QD2 LEU 119 + H LEU 100 OK 12 99 - 12 - 11384/2.9=4, 11381/3.6=3 QD1 LEU 53 - H LEU 100 poor 7 65 - 10 - 11382/3.4=4, 11384/2.9=2...(4) Peak 10027 from nnoeabs.peaks (2.22, 8.49, 120.88 ppm; 4.85 A): 3 out of 6 assignments used, quality = 0.86: HB3 GLU 97 + H LEU 100 OK 77 99 - 78 - 3.0/3114=37, 4.7/7369=26...(12) HB2 GLN 68 + H LEU 100 OK 26 100 - 26 - 2139/3.4=4, 10030/4.9=3...(12) HB3 GLN 104 + H LEU 100 OK 15 96 - 16 - ~10028=4, 3431/7391=2...(7) HB3 GLN 127 - H LEU 100 poor 10 73 - 13 - 3.0/7396=2, 10029/3.9=2...(6) HB3 GLU 128 - H LEU 100 poor 9 81 - 11 - ~7419=3, 10025/5.1=2...(5) HG2 GLU 91 - H LEU 100 lone 2 65 - 3 - Peak 10047 from nnoeabs.peaks (8.11, 8.49, 120.88 ppm; 5.49 A): 0 out of 2 assignments used, low quality = 0.00: H PHE 87 - H LEU 100 lone 8 87 - 10 - 4.3/7403=6 H THR 25 - H LEU 100 lone 7 81 - 8 - 6234/3.9=3, 4.7/7397=2 Peak 10057 from nnoeabs.peaks (0.87, 6.79, 111.00 ppm; 3.73 A): 2 out of 2 assignments used, quality = 0.56: QD2 LEU 98 + HE21 GLN 101 OK 50 98 - 51 - 10055/3.5=18, ~10059=16...(7) QD2 LEU 69 + HE21 GLN 101 OK 13 96 - 13 - 3.9/11055=6, 10059/1.7=4 Peak 10058 from nnoeabs.peaks (0.97, 6.79, 111.00 ppm; 4.50 A): 1 out of 2 assignments used, quality = 0.45: QG1 VAL 112 + HE21 GLN 101 OK 45 73 - 62 - 10060/1.7=34...(3) QD2 LEU 53 - HE21 GLN 101 poor 8 65 - 11 - 10060/1.7=6, 11408/3.5=5 Peak 10059 from nnoeabs.peaks (0.86, 7.38, 111.00 ppm; 3.83 A): 0 out of 4 assignments used, low quality = 0.27: QD1 LEU 98 - HE22 GLN 101 OK 27 98 - 27 - ~10057=19, 4.0/7435=7 QD2 LEU 69 - HE22 GLN 101 lone 8 96 - 8 - 10057/1.7=4, 10055/3.5=3 QD2 LEU 70 - HE22 GLN 101 lone 3 65 - 4 - 9486/3.5=2 QG2 VAL 57 - HE22 GLN 101 lone 1 98 - 1 - Peak 10060 from nnoeabs.peaks (0.97, 7.38, 111.00 ppm; 4.23 A): 1 out of 3 assignments used, quality = 0.51: QG1 VAL 112 + HE22 GLN 101 OK 51 92 - 55 - 10058/1.7=29...(3) QD2 LEU 53 - HE22 GLN 101 lone 9 87 - 10 - 10058/1.7=5, 11408/3.5=4 QG2 VAL 126 - HE22 GLN 101 lone 1 65 - 1 - Peak 10065 from nnoeabs.peaks (1.00, 7.85, 118.36 ppm; 3.84 A): 2 out of 3 assignments used, quality = 0.83: QG2 VAL 105 + H GLU 102 OK 63 100 - 63 - 10086/2.9=19, ~3331=12...(9) QG2 VAL 118 + H GLU 102 OK 54 92 - 59 - 2.1/10067=28...(8) QD1 LEU 69 - H GLU 102 lone 6 96 - 6 - 11417/3.0=1, 11069/3.8=1 Peak 10066 from nnoeabs.peaks (1.58, 7.85, 118.36 ppm; 4.61 A): 1 out of 2 assignments used, quality = 0.77: HB2 LEU 103 + H GLU 102 OK 77 87 - 88 - 4.6/7483=32, 7473/3.0=23...(20) HG2 ARG 23 - H GLU 102 poor 9 73 - 11 - 7473/3.0=4, 7487/7483=2 Peak 10067 from nnoeabs.peaks (0.89, 7.85, 118.36 ppm; 4.00 A): 1 out of 3 assignments used, quality = 0.52: QG1 VAL 118 + H GLU 102 OK 52 92 - 56 - 11705/3.0=19...(8) QG2 VAL 20 - H GLU 102 lone 6 98 - 6 - 11705/3.0=2, ~11705=2 QD1 LEU 22 - H GLU 102 lone 3 100 - 3 - 11705/3.0=1 Peak 10068 from nnoeabs.peaks (0.79, 7.85, 118.36 ppm; 4.66 A): 3 out of 6 assignments used, quality = 0.97: QD1 LEU 103 + H GLU 102 OK 84 96 - 88 - 3.2/10066=28, ~7477=19...(20) QD2 LEU 122 + H GLU 102 OK 67 100 - 67 - 3.1/11410=13...(20) QG1 VAL 63 + H GLU 102 OK 39 98 - 40 - 11011/4.7=16...(7) QD1 ILE 37 - H GLU 102 OK 20 81 - 25 - ~7475=9, 7476/3.0=7...(6) QD1 ILE 32 - H GLU 102 OK 10 65 - 15 - 11398/3.1=5, ~7411=2...(6) QD1 LEU 53 - H GLU 102 lone 4 73 - 6 - 11401/3.5=3, 11549/10067=1 Peak 10070 from nnoeabs.peaks (1.00, 7.90, 117.67 ppm; 3.86 A): 1 out of 1 assignment used, quality = 0.71: QG2 VAL 105 + H GLN 104 OK 71 92 - 78 - 4.0/7499=26...(13) Peak 10073 from nnoeabs.peaks (0.91, 6.96, 111.83 ppm; 4.44 A): 5 out of 6 assignments used, quality = 0.91: QG2 VAL 63 + HE21 GLN 104 OK 74 96 - 78 - 2.1/10074=23, ~9405=18...(10) QD1 LEU 62 + HE21 GLN 104 OK 40 81 - 50 - 10077/1.7=12, ~1997=10...(11) QD1 LEU 49 + HE21 GLN 104 OK 18 87 - 21 - 2.1/10074=7, 10077/1.7=5...(6) QG1 VAL 118 + HE21 GLN 104 OK 15 81 - 19 - 11432/5.5=13...(3) QD2 LEU 48 + HE21 GLN 104 OK 11 99 - 11 - ~11442=3, 10077/1.7=3...(4) QG1 VAL 20 - HE21 GLN 104 lone 6 100 - 6 - 11432/5.5=2, 10077/1.7=1 Peak 10074 from nnoeabs.peaks (0.79, 6.96, 111.83 ppm; 3.83 A): 3 out of 5 assignments used, quality = 0.57: QG1 VAL 63 + HE21 GLN 104 OK 42 73 - 57 - 11443/3.5=13...(9) QD1 LEU 103 + HE21 GLN 104 OK 16 65 - 24 - 11443/3.5=7, ~11712=6...(7) QD2 LEU 49 + HE21 GLN 104 OK 13 87 - 15 - 11433/5.5=3, 2.1/10073=3...(5) QD2 LEU 122 - HE21 GLN 104 lone 8 96 - 9 - 11443/3.5=3, 11435/4.5=2 QD1 LEU 53 - HE21 GLN 104 lone 1 98 - 1 - Peak 10076 from nnoeabs.peaks (1.39, 7.43, 111.83 ppm; 5.53 A): 0 out of 15 assignments used, low quality = 0.00: HB2 LEU 42 - HE22 GLN 104 poor 10 65 - 15 - 3.1/11801=10, 11445/4.5=4 HB2 LEU 96 - HE22 GLN 104 lone 5 81 - 6 - 11445/4.5=2 HB3 LEU 100 - HE22 GLN 104 lone 5 73 - 6 - 11445/4.5=4 QB ALA 108 - HE22 GLN 104 lone 4 98 - 4 - QB ALA 109 - HE22 GLN 104 lone 3 100 - 3 - 9409/6820=1 QB ALA 110 - HE22 GLN 104 lone 3 92 - 3 - HG3 LYS 95 - HE22 GLN 104 lone 3 99 - 3 - QB ALA 28 - HE22 GLN 104 lone 3 96 - 3 - QB ALA 15 - HE22 GLN 104 lone 3 92 - 3 - HG2 LYS 95 - HE22 GLN 104 lone 3 100 - 3 - QB ALA 29 - HE22 GLN 104 lone 2 81 - 3 - HG3 LYS 26 - HE22 GLN 104 lone 2 87 - 3 - HG2 LYS 36 - HE22 GLN 104 lone 2 81 - 3 - HG3 LYS 31 - HE22 GLN 104 lone 2 98 - 2 - HG2 LYS 24 - HE22 GLN 104 lone 2 73 - 3 - Peak 10077 from nnoeabs.peaks (0.91, 7.43, 111.83 ppm; 4.35 A): 2 out of 5 assignments used, quality = 0.93: QG2 VAL 63 + HE22 GLN 104 OK 82 100 - 82 - 2.1/10078=22, 9407=20...(16) QD1 LEU 62 + HE22 GLN 104 OK 63 98 - 64 - 2005=13, 11442/3.5=10...(15) QD1 LEU 49 - HE22 GLN 104 OK 26 99 - 26 - ~10074=5, 11440/3.5=5...(6) QD2 LEU 48 - HE22 GLN 104 OK 13 99 - 13 - ~11442=3, 10073/1.7=2...(5) QG1 VAL 20 - HE22 GLN 104 lone 6 98 - 6 - 11444/6.4=1, 10073/1.7=1 Peak 10078 from nnoeabs.peaks (0.78, 7.43, 111.83 ppm; 3.68 A): 3 out of 6 assignments used, quality = 0.75: QG1 VAL 63 + HE22 GLN 104 OK 60 96 - 62 - 9400/3.5=15, 9405=15...(14) QD1 LEU 103 + HE22 GLN 104 OK 29 98 - 30 - 11441/3.5=7, 2.1/11712=6...(8) QD1 ILE 32 + HE22 GLN 104 OK 11 99 - 11 - ~10844=3, 11441/3.5=3...(4) QD1 ILE 37 - HE22 GLN 104 lone 9 100 - 9 - 11441/3.5=2, 7490/6.4=1...(4) QD2 LEU 122 - HE22 GLN 104 poor 8 73 - 11 - 11435/4.5=3, 11436/4.5=2...(4) QD1 LEU 96 - HE22 GLN 104 lone 2 81 - 3 - 3.2/10076=1 Peak 10101 from nnoeabs.peaks (1.39, 8.23, 117.55 ppm; 4.53 A): 4 out of 7 assignments used, quality = 0.84: QB ALA 108 + H SER 107 OK 43 73 - 59 - 2.9/7554=33, ~7555=19...(5) HG3 LYS 31 + H SER 107 OK 40 99 - 39 - 832=9, 10112/3.0=6...(13) QB ALA 109 + H SER 107 OK 38 96 - 40 - 2.9/7552=10...(6) HG LEU 96 + H SER 107 OK 25 92 - 27 - 10104/4.1=9, 10112/3.0=7...(5) HG2 LYS 95 - H SER 107 lone 6 92 - 6 - 10094/4.5=2 HG3 LYS 95 - H SER 107 lone 4 81 - 5 - 10094/4.5=1 QB ALA 28 - H SER 107 lone 2 65 - 3 - Peak 10102 from nnoeabs.peaks (0.94, 8.23, 117.55 ppm; 4.86 A): 0 out of 3 assignments used, low quality = 0.14: QD1 LEU 119 - H SER 107 OK 14 87 - 16 - 2.1/10103=10, 3804/4.3=3 QG2 ILE 37 - H SER 107 lone 7 100 - 7 - ~10115=2, 10911/10101=1 QD1 LEU 123 - H SER 107 lone 2 73 - 2 - Peak 10103 from nnoeabs.peaks (0.79, 8.23, 117.55 ppm; 6.80 A): 0 out of 4 assignments used, low quality = 0.33: QD2 LEU 119 - H SER 107 OK 33 87 - 39 - 2.1/10102=31, 3796/4.3=4 QD2 LEU 49 - H SER 107 lone 10 99 - 10 - 11486/4.3=3...(3) QD1 LEU 53 - H SER 107 lone 8 100 - 8 - 11486/4.3=3 QD2 LEU 122 - H SER 107 poor 7 73 - 10 - 11486/4.3=5 Peak 10118 from nnoeabs.peaks (0.92, 8.08, 123.00 ppm; 4.19 A): 0 out of 6 assignments used, low quality = 0.29: QG2 VAL 112 - H ALA 109 OK 29 96 - 31 - 11496/2.9=8, 11496/3.7=7...(6) QD1 LEU 49 - H ALA 109 lone 8 81 - 10 - 11484/4.6=3, 10663/3.7=2...(4) QD1 LEU 62 - H ALA 109 lone 5 87 - 6 - 11484/4.6=3, 10663/3.7=1 QD1 LEU 48 - H ALA 109 lone 5 96 - 5 - 11478/4.7=3 QG2 VAL 63 - H ALA 109 lone 4 65 - 6 - 11484/4.6=3, 10663/3.7=1 QD1 LEU 123 - H ALA 109 lone 2 73 - 2 - Peak 10121 from nnoeabs.peaks (0.95, 8.30, 108.05 ppm; 3.92 A): 0 out of 3 assignments used, low quality = 0.00: QD1 LEU 119 - H GLY 111 lone 6 87 - 7 - 11553/4.6=3, 10296/3.6=2 QG1 VAL 126 - H GLY 111 lone 1 65 - 1 - QG1 VAL 57 - H GLY 111 lone 1 100 - 1 - Peak 10133 from nnoeabs.peaks (3.69, 7.93, 120.44 ppm; 5.06 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10136 from nnoeabs.peaks (1.39, 7.93, 120.44 ppm; 4.47 A): 3 out of 9 assignments used, quality = 0.67: QB ALA 110 + H VAL 112 OK 48 65 - 73 - 3.7/7581=36, 4.8/3541=27...(6) QB ALA 109 + H VAL 112 OK 30 98 - 30 - 3.7/7583=11, 10134/3.7=8...(4) QB ALA 108 + H VAL 112 OK 10 81 - 13 - 11496/4.1=7, 10117/3.6=2 QB ALA 15 - H VAL 112 lone 6 65 - 10 - 11496/4.1=7 HG LEU 96 - H VAL 112 lone 3 87 - 3 - 10134/3.7=1 HG3 LYS 31 - H VAL 112 lone 2 100 - 2 - HG2 LYS 95 - H VAL 112 lone 2 96 - 2 - QB ALA 28 - H VAL 112 lone 1 73 - 2 - HG3 LYS 95 - H VAL 112 lone 1 87 - 1 - Peak 10159 from nnoeabs.peaks (1.13, 8.57, 108.97 ppm; 4.73 A): 4 out of 4 assignments used, quality = 0.95: QG2 THR 115 + H GLY 114 OK 76 100 - 77 - 4.0/7600=34...(8) QG1 VAL 132 + H GLY 114 OK 51 98 - 52 - 2.1/11663=20...(11) QG2 VAL 132 + H GLY 114 OK 47 92 - 52 - 11663=21, ~10164=10...(13) HG2 LYS 39 + H GLY 114 OK 10 100 - 10 - 10162/2.9=2, 7607/4.6=2 Peak 10160 from nnoeabs.peaks (0.93, 8.57, 108.97 ppm; 3.65 A): 0 out of 4 assignments used, low quality = 0.43: QG2 VAL 112 - H GLY 114 OK 33 81 - 41 - 4.4/7596=15...(6) QD1 LEU 123 - H GLY 114 OK 16 98 - 16 - 11506/3.6=6...(4) QG2 ILE 37 - H GLY 114 poor 9 92 - 10 - 10163/2.9=3, 11506/3.6=3...(4) QD1 LEU 48 - H GLY 114 lone 8 81 - 10 - 10165/2.9=4, ~1503=2...(4) Peak 10161 from nnoeabs.peaks (0.79, 8.57, 108.97 ppm; 6.80 A): 3 out of 4 assignments used, quality = 0.62: QD1 LEU 53 + H GLY 114 OK 41 100 - 41 - ~9254=28, 2.1/7594=12...(4) QD2 LEU 119 + H GLY 114 OK 26 81 - 33 - ~10163=30 QD2 LEU 49 + H GLY 114 OK 13 98 - 14 - 1575/3.9=6, 3.2/7592=3 QD2 LEU 122 - H GLY 114 lone 3 81 - 3 - Peak 10166 from nnoeabs.peaks (0.94, 7.90, 111.39 ppm; 3.74 A): 0 out of 3 assignments used, low quality = 0.41: QD1 LEU 119 - H THR 115 OK 41 99 - 42 - 11556/3.0=15...(7) QG2 ILE 37 - H THR 115 lone 7 96 - 7 - 10163/3.6=4, 10160/4.6=1 QG1 VAL 57 - H THR 115 lone 6 65 - 8 - 2.1/10169=2, 10163/3.6=2...(4) Peak 10168 from nnoeabs.peaks (1.91, 7.90, 111.39 ppm; 6.15 A): 2 out of 6 assignments used, quality = 0.69: HB2 PRO 113 + H THR 115 OK 59 100 - 59 - 3.9/7600=45...(4) HB2 ARG 90 + H THR 115 OK 24 98 - 24 - 2795/4.6=15, 3.8/7602=6 HB3 LEU 49 - H THR 115 lone 4 87 - 5 - 7592/4.6=2 HB3 LEU 123 - H THR 115 lone 4 56 - 7 - 10158/3.6=3, 7592/4.6=2 HB3 ARG 84 - H THR 115 lone 4 87 - 4 - 7592/4.6=1 HB2 ARG 135 - H THR 115 lone 3 73 - 4 - 10158/3.6=2 Peak 10169 from nnoeabs.peaks (2.09, 7.90, 111.39 ppm; 5.54 A): 0 out of 4 assignments used, low quality = 0.35: HB2 GLN 61 - H THR 115 OK 21 98 - 22 - 10185/4.0=12, 3.0/7606=4...(4) HB3 GLN 61 - H THR 115 OK 18 87 - 21 - 10185/4.0=13, 3.0/7606=4...(4) HB VAL 57 - H THR 115 lone 7 92 - 8 - 2.1/10166=5, 1801/10166=1 HB3 GLN 82 - H THR 115 lone 2 98 - 2 - Peak 10173 from nnoeabs.peaks (2.85, 7.90, 111.39 ppm; 4.95 A): 1 out of 2 assignments used, quality = 0.76: HB2 ASN 116 + H THR 115 OK 76 99 - 76 - 4.0/7608=36...(5) HB3 ASP 47 - H THR 115 lone 3 57 - 5 - 10174/3.0=2, 7615/4.6=1 Peak 10176 from nnoeabs.peaks (4.97, 7.90, 111.39 ppm; 4.87 A): 1 out of 1 assignment used, quality = 0.88: HA ASN 116 + H THR 115 OK 88 98 - 90 - 2.9/7608=42...(8) Peak 10197 from nnoeabs.peaks (3.96, 8.45, 123.09 ppm; 4.37 A): 2 out of 8 assignments used, quality = 0.69: HD3 PRO 117 + H ASN 116 OK 63 65 - 97 - 4.8=75, 1.8/10198=40...(11) HB3 SER 107 + H ASN 116 OK 14 100 - 14 - 11470/4.2=8, 3670/2.9=2...(5) HA2 GLY 17 - H ASN 116 lone 6 100 - 6 - 4.9/7612=2 HA3 GLY 17 - H ASN 116 lone 6 100 - 6 - 4.9/7612=2 HB2 SER 106 - H ASN 116 lone 4 92 - 4 - 4.0/7610=3 HA LEU 100 - H ASN 116 lone 4 100 - 4 - HA GLN 127 - H ASN 116 lone 2 73 - 3 - 11611/11559=3 HA THR 65 - H ASN 116 lone 1 65 - 1 - Peak 10198 from nnoeabs.peaks (3.86, 8.45, 123.09 ppm; 4.27 A): 1 out of 1 assignment used, quality = 0.94: HD2 PRO 117 + H ASN 116 OK 94 99 - 95 - 4.8=70, 3667/2.9=35...(9) Peak 10199 from nnoeabs.peaks (2.04, 8.45, 123.09 ppm; 5.27 A): 3 out of 5 assignments used, quality = 0.46: HG3 ARG 135 + H ASN 116 OK 25 81 - 31 - 10200/2.9=19, 3.0/7616=6...(4) QE MET 11 + H ASN 116 OK 20 100 - 20 - 10200/2.9=9, 4.2/139=3...(5) HB3 GLU 55 + H ASN 116 OK 10 99 - 10 - 10200/2.9=7, 11527/4.0=1 HB3 GLU 40 - H ASN 116 lone 5 96 - 6 - 10200/2.9=3 HB3 GLU 91 - H ASN 116 lone 4 81 - 5 - 10200/2.9=4 Peak 10202 from nnoeabs.peaks (2.05, 7.01, 113.21 ppm; 5.05 A): 4 out of 8 assignments used, quality = 0.91: HG2 PRO 117 + HD21 ASN 116 OK 54 100 - 54 - 2.3/10210=22, ~10214=20...(5) HB VAL 118 + HD21 ASN 116 OK 53 99 - 54 - ~11535=24, 10277/4.6=17...(6) HG3 PRO 117 + HD21 ASN 116 OK 53 96 - 55 - 2.3/10210=22, ~10214=20...(5) HG3 PRO 81 + HD21 ASN 116 OK 11 98 - 11 - 10257/4.6=4, ~10214=3...(4) HG3 PRO 113 - HD21 ASN 116 lone 5 87 - 6 - 11557/10218=2, ~10153=1 HB2 LEU 62 - HD21 ASN 116 lone 4 99 - 4 - ~10214=1 HB2 GLN 127 - HD21 ASN 116 lone 4 99 - 4 - 11557/10218=1 HB3 GLN 27 - HD21 ASN 116 lone 3 87 - 4 - Peak 10204 from nnoeabs.peaks (2.06, 7.92, 113.21 ppm; 4.64 A): 2 out of 7 assignments used, quality = 0.59: HB VAL 118 + HD22 ASN 116 OK 42 87 - 48 - ~11532=22, 2.1/11535=19...(6) HG2 PRO 117 + HD22 ASN 116 OK 30 65 - 46 - 2.3/10214=22, ~10210=14...(5) HG3 PRO 113 - HD22 ASN 116 lone 4 99 - 4 - 11557/11553=1 HB2 LEU 62 - HD22 ASN 116 lone 3 87 - 3 - 3.0/10214=1 HB3 GLN 27 - HD22 ASN 116 lone 3 99 - 3 - HB2 GLN 127 - HD22 ASN 116 lone 3 87 - 3 - HG3 PRO 58 - HD22 ASN 116 lone 1 65 - 2 - Peak 10210 from nnoeabs.peaks (3.95, 7.01, 113.21 ppm; 5.28 A): 3 out of 6 assignments used, quality = 0.76: HD3 PRO 117 + HD21 ASN 116 OK 67 100 - 67 - 3670/4.6=30, ~10214=24...(6) HA3 GLY 111 + HD21 ASN 116 OK 15 73 - 20 - ~10213=11, 4.8/10217=7...(4) HB3 SER 107 + HD21 ASN 116 OK 14 81 - 17 - ~10213=7, 10207/3.5=3...(5) HA LEU 100 - HD21 ASN 116 lone 5 73 - 7 - 11384/10219=1, 10207/3.5=1 HA2 GLY 17 - HD21 ASN 116 lone 4 73 - 5 - 10207/3.5=1, 3670/4.6=1 HA3 GLY 17 - HD21 ASN 116 lone 4 73 - 5 - 10207/3.5=1, 3670/4.6=1 Peak 10211 from nnoeabs.peaks (4.29, 7.01, 113.21 ppm; 5.82 A): 3 out of 9 assignments used, quality = 0.66: HA ALA 12 + HD21 ASN 116 OK 34 96 - 35 - 10212/1.7=14...(5) HA ALA 110 + HD21 ASN 116 OK 29 92 - 32 - 10212/1.7=12...(4) HA ALA 15 + HD21 ASN 116 OK 27 96 - 29 - 10212/1.7=12...(3) HA ARG 23 - HD21 ASN 116 lone 10 98 - 10 - 10212/1.7=4, 10296/10218=3 HA GLN 61 - HD21 ASN 116 lone 5 73 - 7 - 10296/10218=3, 10212/1.7=2 HA THR 18 - HD21 ASN 116 lone 4 98 - 4 - 10212/1.7=2 HA ALA 21 - HD21 ASN 116 lone 3 100 - 3 - 10212/1.7=1 HA SER 74 - HD21 ASN 116 lone 3 99 - 3 - 10212/1.7=1 HA THR 25 - HD21 ASN 116 lone 3 99 - 3 - 10212/1.7=1 Peak 10212 from nnoeabs.peaks (4.29, 7.92, 113.21 ppm; 4.64 A): 3 out of 9 assignments used, quality = 0.49: HA ALA 12 + HD22 ASN 116 OK 22 98 - 22 - 3.0/7626=8, 10211/1.7=7...(4) HA ALA 110 + HD22 ASN 116 OK 20 96 - 21 - 2.1/10220=8, ~10217=6 HA ALA 15 + HD22 ASN 116 OK 18 98 - 19 - 2.1/10220=8, 10211/1.7=6 HA ARG 23 - HD22 ASN 116 lone 6 99 - 6 - 10211/1.7=2 HA GLN 61 - HD22 ASN 116 lone 4 81 - 4 - 10211/1.7=1, 4.9/10214=1 HA THR 18 - HD22 ASN 116 lone 3 96 - 3 - HA ALA 21 - HD22 ASN 116 lone 2 99 - 2 - HA SER 74 - HD22 ASN 116 lone 2 98 - 2 - HA THR 25 - HD22 ASN 116 lone 2 98 - 2 - Peak 10213 from nnoeabs.peaks (3.92, 7.92, 113.21 ppm; 5.34 A): 0 out of 4 assignments used, low quality = 0.10: HA2 GLY 111 - HD22 ASN 116 OK 10 87 - 12 - 4.8/10220=7, ~10210=4 HB2 SER 107 - HD22 ASN 116 lone 7 98 - 7 - ~10210=4 HA3 GLY 14 - HD22 ASN 116 lone 7 87 - 8 - 4.9/10220=6 HA2 GLY 14 - HD22 ASN 116 lone 6 81 - 8 - 4.9/10220=6 Peak 10214 from nnoeabs.peaks (3.85, 7.92, 113.21 ppm; 5.31 A): 1 out of 5 assignments used, quality = 0.68: HD2 PRO 117 + HD22 ASN 116 OK 68 92 - 74 - 4.8/7618=37, 3667/4.6=30...(5) HD2 PRO 81 - HD22 ASN 116 lone 10 98 - 10 - 3668/4.6=4, ~10202=2 HB3 SER 33 - HD22 ASN 116 lone 5 98 - 5 - 10863/10223=3 HA LEU 62 - HD22 ASN 116 lone 5 65 - 7 - 3.0/10204=1, 4.9/10212=1 HA LEU 123 - HD22 ASN 116 lone 3 81 - 3 - 10393/10222=2 Peak 10216 from nnoeabs.peaks (1.61, 7.01, 113.21 ppm; 5.55 A): 3 out of 5 assignments used, quality = 0.89: HG LEU 119 + HD21 ASN 116 OK 81 87 - 93 - 2.1/10219=37...(7) HB3 LEU 22 + HD21 ASN 116 OK 23 100 - 24 - 10221/1.7=8, ~10221=5...(6) HG LEU 22 + HD21 ASN 116 OK 23 100 - 23 - 10221/1.7=7, ~10221=5...(6) HB2 LEU 122 - HD21 ASN 116 poor 9 81 - 11 - 10221/1.7=3, ~10223=3...(5) HG LEU 70 - HD21 ASN 116 lone 3 96 - 3 - Peak 10217 from nnoeabs.peaks (1.39, 7.01, 113.21 ppm; 4.82 A): 0 out of 9 assignments used, low quality = 0.30: QB ALA 110 - HD21 ASN 116 OK 17 65 - 27 - 10220/1.7=8, ~10212=7...(5) QB ALA 15 - HD21 ASN 116 OK 15 65 - 23 - 10220/1.7=8, ~10212=7...(4) HG2 LYS 95 - HD21 ASN 116 lone 8 96 - 8 - 10220/1.7=3, ~10220=2 HG3 LYS 95 - HD21 ASN 116 lone 7 87 - 8 - 10220/1.7=3, ~10220=3 QB ALA 109 - HD21 ASN 116 lone 6 98 - 7 - 10229/5.5=3, 10220/1.7=2 HG3 LYS 31 - HD21 ASN 116 lone 6 100 - 6 - 10229/5.5=3, 10220/1.7=2 QB ALA 108 - HD21 ASN 116 lone 5 81 - 7 - 10229/5.5=2, 10220/1.7=2 QB ALA 28 - HD21 ASN 116 lone 3 73 - 4 - 10220/1.7=1 HG LEU 96 - HD21 ASN 116 lone 3 87 - 3 - 10229/5.5=1 Peak 10218 from nnoeabs.peaks (0.94, 7.01, 113.21 ppm; 4.15 A): 2 out of 3 assignments used, quality = 0.89: QD1 LEU 119 + HD21 ASN 116 OK 85 99 - 86 - 11553/1.7=30...(10) QG1 VAL 57 + HD21 ASN 116 OK 27 92 - 29 - 10222/1.7=13...(4) QG2 ILE 37 - HD21 ASN 116 lone 2 73 - 3 - 3795/10219=2 Peak 10219 from nnoeabs.peaks (0.80, 7.01, 113.21 ppm; 4.36 A): 2 out of 4 assignments used, quality = 0.73: QD2 LEU 119 + HD21 ASN 116 OK 70 92 - 76 - 2.1/10218=29...(7) QD2 LEU 49 + HD21 ASN 116 OK 12 100 - 12 - 10232/4.6=6, 10223/1.7=4 QD1 LEU 53 - HD21 ASN 116 lone 4 99 - 4 - 10223/1.7=1, 10232/4.6=1 QD2 LEU 122 - HD21 ASN 116 lone 4 65 - 6 - ~10223=2, 3.1/10216=1, ~10221=1 Peak 10220 from nnoeabs.peaks (1.39, 7.92, 113.21 ppm; 5.12 A): 4 out of 15 assignments used, quality = 0.62: QB ALA 110 + HD22 ASN 116 OK 31 92 - 34 - 2.1/10212=11...(5) QB ALA 15 + HD22 ASN 116 OK 30 92 - 33 - 2.1/10212=10...(6) HG2 LYS 95 + HD22 ASN 116 OK 11 100 - 11 - 10217/1.7=5, ~10217=3 HG3 LYS 95 + HD22 ASN 116 OK 11 99 - 11 - 10217/1.7=4, ~10217=4 QB ALA 109 - HD22 ASN 116 lone 9 100 - 9 - 10217/1.7=4, 10229/5.5=3 QB ALA 108 - HD22 ASN 116 lone 8 98 - 8 - 10217/1.7=3, 10229/5.5=2 HG3 LYS 31 - HD22 ASN 116 lone 7 98 - 7 - 10217/1.7=3, 10229/5.5=3 QB ALA 28 - HD22 ASN 116 lone 5 96 - 5 - 10217/1.7=2 HB2 LEU 96 - HD22 ASN 116 lone 3 81 - 3 - HB3 LEU 100 - HD22 ASN 116 lone 3 73 - 4 - ~10210=1 QB ALA 29 - HD22 ASN 116 lone 2 81 - 2 - HB2 LEU 42 - HD22 ASN 116 lone 2 65 - 3 - 10262/11535=1 HG3 LYS 26 - HD22 ASN 116 lone 2 87 - 2 - HG2 LYS 24 - HD22 ASN 116 lone 1 73 - 2 - HG2 LYS 36 - HD22 ASN 116 lone 1 81 - 2 - Peak 10221 from nnoeabs.peaks (1.61, 7.92, 113.21 ppm; 4.52 A): 3 out of 5 assignments used, quality = 0.74: HG LEU 119 + HD22 ASN 116 OK 64 87 - 74 - 2.1/10223=30, ~10218=22...(6) HB3 LEU 22 + HD22 ASN 116 OK 16 100 - 16 - 10216/1.7=4, 10225/3.5=3...(6) HG LEU 22 + HD22 ASN 116 OK 16 100 - 16 - 10216/1.7=4, ~10216=3...(6) HB2 LEU 122 - HD22 ASN 116 lone 7 81 - 9 - 3.1/10223=2, 10216/1.7=2...(4) HG LEU 70 - HD22 ASN 116 lone 2 96 - 2 - Peak 10222 from nnoeabs.peaks (0.95, 7.92, 113.21 ppm; 3.86 A): 0 out of 3 assignments used, low quality = 0.30: QG1 VAL 57 - HD22 ASN 116 OK 22 98 - 22 - 10227/3.5=6, 10228/3.5=5...(5) QG1 VAL 126 - HD22 ASN 116 OK 11 92 - 12 - 10230/5.5=3, 10227/3.5=2...(4) QG1 VAL 105 - HD22 ASN 116 lone 4 73 - 5 - 10230/5.5=4 Peak 10223 from nnoeabs.peaks (0.80, 7.92, 113.21 ppm; 4.24 A): 2 out of 4 assignments used, quality = 0.79: QD2 LEU 119 + HD22 ASN 116 OK 76 100 - 76 - 11558=22, 10219/1.7=21...(9) QD2 LEU 49 + HD22 ASN 116 OK 12 92 - 13 - 10232/4.6=5, 10219/1.7=4 QD1 LEU 122 - HD22 ASN 116 lone 7 92 - 8 - 3.1/10221=2...(4) QD1 LEU 53 - HD22 ASN 116 lone 5 73 - 6 - 10334/11732=2...(3) Peak 10229 from nnoeabs.peaks (1.39, 8.45, 123.09 ppm; 4.89 A): 0 out of 9 assignments used, low quality = 0.00: QB ALA 110 - H ASN 116 poor 7 65 - 11 - 10217/5.5=5, 10220/5.5=4 QB ALA 109 - H ASN 116 lone 7 98 - 7 - 2.1/7612=2, 10217/5.5=2 QB ALA 15 - H ASN 116 lone 6 65 - 10 - 10217/5.5=4, 10220/5.5=4 HG3 LYS 31 - H ASN 116 lone 6 100 - 6 - 10217/5.5=2, 3.8/7612=1 QB ALA 108 - H ASN 116 lone 5 81 - 7 - 2.1/7612=2, 10217/5.5=2 HG2 LYS 95 - H ASN 116 lone 5 96 - 5 - 10217/5.5=2, 10220/5.5=2 HG3 LYS 95 - H ASN 116 lone 4 87 - 5 - 10217/5.5=2, 10220/5.5=2 HG LEU 96 - H ASN 116 lone 2 87 - 3 - QB ALA 28 - H ASN 116 lone 2 73 - 3 - Peak 10230 from nnoeabs.peaks (0.95, 8.45, 123.09 ppm; 4.25 A): 3 out of 4 assignments used, quality = 0.51: QG1 VAL 105 + H ASN 116 OK 23 96 - 24 - 10090/4.8=17, 4.4/7610=3...(6) QG1 VAL 126 + H ASN 116 OK 20 100 - 20 - 11599=5, 10222/5.5=5...(7) QG1 VAL 57 + H ASN 116 OK 20 81 - 24 - 10222/5.5=10...(4) QG2 VAL 126 - H ASN 116 poor 9 73 - 12 - 2.1/11599=5, ~11525=2...(4) Peak 10245 from nnoeabs.peaks (2.83, 7.75, 118.27 ppm; 5.46 A): 1 out of 1 assignment used, quality = 0.64: HB3 ASN 85 + H VAL 118 OK 64 92 - 70 - 10243/4.3=30...(10) Peak 10251 from nnoeabs.peaks (4.97, 7.75, 118.27 ppm; 5.04 A): 1 out of 1 assignment used, quality = 0.77: HA ASN 116 + H VAL 118 OK 77 100 - 77 - 10276/4.0=28...(9) Peak 10254 from nnoeabs.peaks (1.88, 7.75, 118.27 ppm; 5.45 A): 2 out of 3 assignments used, quality = 0.74: HB3 LEU 119 + H VAL 118 OK 67 92 - 73 - 3.9/7646=26...(6) HB3 LEU 123 + H VAL 118 OK 21 97 - 22 - 7653/4.6=9, 7665/7660=4...(6) HB3 LYS 36 - H VAL 118 lone 1 81 - 1 - Peak 10255 from nnoeabs.peaks (1.62, 7.75, 118.27 ppm; 4.87 A): 3 out of 5 assignments used, quality = 0.86: HG LEU 119 + H VAL 118 OK 64 98 - 65 - 2.9/10254=21...(7) HG LEU 22 + H VAL 118 OK 37 99 - 38 - 10258/4.0=9, 2.1/7641=8...(9) HB3 LEU 22 + H VAL 118 OK 37 99 - 37 - 10258/4.0=9, 390/3.9=8...(9) HG3 ARG 23 - H VAL 118 poor 9 81 - 11 - 10258/4.0=3, 3781/4.6=3...(5) HG LEU 70 - H VAL 118 lone 1 81 - 1 - Peak 10256 from nnoeabs.peaks (0.79, 7.75, 118.27 ppm; 5.06 A): 4 out of 4 assignments used, quality = 0.75: QD2 LEU 119 + H VAL 118 OK 52 73 - 71 - 3.1/10254=22...(8) QD1 LEU 53 + H VAL 118 OK 22 100 - 22 - 4.6/6685=10, 11549/3.9=4...(4) QD2 LEU 49 + H VAL 118 OK 20 96 - 21 - 9206/7637=8, 11549/3.9=4...(4) QD2 LEU 122 + H VAL 118 OK 16 87 - 18 - 11549/3.9=8, 11547/2.8=6...(4) Peak 10284 from nnoeabs.peaks (2.83, 7.54, 119.74 ppm; 4.82 A): 0 out of 1 assignment used, low quality = 0.45: HB3 ASN 85 - H LEU 119 OK 45 73 - 61 - 10245/4.6=20...(8) Peak 10285 from nnoeabs.peaks (2.93, 7.54, 119.74 ppm; 4.95 A): 0 out of 4 assignments used, low quality = 0.34: HB3 ASN 116 - H LEU 119 OK 34 92 - 37 - 10295/4.6=24...(3) HE2 LYS 39 - H LEU 119 lone 6 98 - 6 - 10295/4.6=3, 10292/4.6=2 HE3 LYS 39 - H LEU 119 lone 6 100 - 6 - 10295/4.6=3, 10292/4.6=2 HG CYS 73 - H LEU 119 lone 5 73 - 6 - 4.6/10286=3, 10292/4.6=1 Peak 10286 from nnoeabs.peaks (4.39, 7.54, 119.74 ppm; 5.25 A): 0 out of 5 assignments used, low quality = 0.29: HA SER 33 - H LEU 119 OK 18 87 - 21 - 10853/3.9=12...(4) HA SER 107 - H LEU 119 OK 13 98 - 13 - 11542/4.6=6, 3.6/7657=4 HA ASP 78 - H LEU 119 poor 9 81 - 11 - 2.9/7049=5, 11542/4.6=3 HA CYS 73 - H LEU 119 lone 7 87 - 8 - 4.6/10285=3, 11542/4.6=2 HA SER 9 - H LEU 119 lone 6 98 - 5 - 10853/3.9=2, 11556/4.6=1 Peak 10298 from nnoeabs.peaks (2.04, 8.08, 117.66 ppm; 4.98 A): 4 out of 6 assignments used, quality = 0.58: HG3 PRO 117 + H ASN 120 OK 31 87 - 36 - 3.8/11562=30...(3) HG2 PRO 117 + H ASN 120 OK 23 65 - 35 - 3.8/11562=30...(3) QE MET 11 + H ASN 120 OK 12 96 - 12 - 11939/2.9=3, ~155=2...(6) HB3 GLU 55 + H ASN 120 OK 11 98 - 11 - 3.8/7660=8, 1714/7660=2 HG3 PRO 81 - H ASN 120 lone 7 81 - 9 - 11265/3.8=4, 3691/11562=2 HB3 GLU 40 - H ASN 120 lone 1 65 - 2 - Peak 10299 from nnoeabs.peaks (2.95, 8.08, 117.66 ppm; 4.65 A): 0 out of 7 assignments used, low quality = 0.00: HE3 LYS 86 - H ASN 120 lone 6 81 - 7 - 6.9/7137=3, 11554/4.6=3 HE2 LYS 19 - H ASN 120 lone 5 87 - 6 - 11554/4.6=3, ~11566=1, ~3813=1 HE2 LYS 36 - H ASN 120 lone 2 92 - 3 - 11554/4.6=1 HE2 LYS 24 - H ASN 120 lone 2 98 - 2 - 11554/4.6=1 HE3 LYS 36 - H ASN 120 lone 2 65 - 3 - 11554/4.6=1 HE3 LYS 24 - H ASN 120 lone 1 65 - 2 - 11554/4.6=1 HB2 CYS 45 - H ASN 120 lone 1 57 - 1 - Peak 10311 from nnoeabs.peaks (0.93, 7.60, 111.74 ppm; 6.80 A): 2 out of 3 assignments used, quality = 0.53: QD1 LEU 123 + HD21 ASN 120 OK 39 99 - 40 - 11568/4.4=14, ~10303=10...(5) QG2 VAL 112 + HD21 ASN 120 OK 23 99 - 23 - 3.2/7678=7, ~7684=6...(7) QD1 LEU 48 - HD21 ASN 120 lone 3 99 - 3 - Peak 10316 from nnoeabs.peaks (2.02, 8.12, 119.98 ppm; 5.08 A): 5 out of 7 assignments used, quality = 0.69: HG2 ARG 90 + H ASN 121 OK 42 99 - 42 - 2822=10, 2.9/2813=7...(8) HB3 GLU 30 + H ASN 121 OK 18 100 - 18 - 4.0/7704=11, 767/7704=4 HG2 PRO 58 + H ASN 121 OK 16 87 - 19 - 2.3/7689=9, 10302/3.8=2 HB VAL 63 + H ASN 121 OK 12 100 - 12 - 2.1/10322=8 HB3 MET 11 + H ASN 121 OK 10 99 - 10 - 141/3.6=4, 3.0/7693=2 HB2 GLN 134 - H ASN 121 lone 4 100 - 4 - HB2 GLU 44 - H ASN 121 lone 4 98 - 4 - Peak 10317 from nnoeabs.peaks (1.89, 8.12, 119.98 ppm; 5.45 A): 0 out of 4 assignments used, low quality = 0.44: HB3 LEU 123 - H ASN 121 OK 30 86 - 35 - 3.9/7704=29, 3814/3.6=6 HB3 LEU 48 - H ASN 121 OK 20 96 - 21 - 3.1/10322=14, 10958/7691=4 HB3 LYS 36 - H ASN 121 lone 2 87 - 2 - HB2 GLU 40 - H ASN 121 lone 1 65 - 2 - Peak 10318 from nnoeabs.peaks (1.76, 8.12, 119.98 ppm; 5.43 A): 0 out of 2 assignments used, low quality = 0.00: HB2 LYS 39 - H ASN 121 lone 2 100 - 2 - HB2 ARG 23 - H ASN 121 lone 1 87 - 2 - Peak 10319 from nnoeabs.peaks (1.61, 8.12, 119.98 ppm; 5.00 A): 2 out of 5 assignments used, quality = 0.87: HB2 LEU 122 + H ASN 121 OK 69 100 - 70 - 3.5/7703=44, 4.3/7704=23...(6) HG LEU 122 + H ASN 121 OK 59 98 - 60 - 4.6/7703=35...(7) HG LEU 70 - H ASN 121 lone 9 96 - 9 - 2.1/10321=5, 7729/4.0=2 HG LEU 22 - H ASN 121 lone 6 65 - 9 - ~10324=3, 3763/7691=2 HB3 LEU 22 - H ASN 121 lone 5 65 - 8 - ~10324=3, 3763/7691=2 Peak 10320 from nnoeabs.peaks (0.99, 8.12, 119.98 ppm; 5.13 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10321 from nnoeabs.peaks (0.82, 8.12, 119.98 ppm; 4.56 A): 0 out of 5 assignments used, low quality = 0.29: QD1 LEU 122 - H ASN 121 OK 29 57 - 51 - 4.3/7703=33...(4) QG2 ILE 80 - H ASN 121 lone 7 98 - 7 - QD1 LEU 70 - H ASN 121 lone 6 99 - 6 - 2.1/10319=2 QG2 ILE 129 - H ASN 121 lone 3 92 - 3 - HG13 ILE 80 - H ASN 121 lone 2 81 - 3 - Peak 10322 from nnoeabs.peaks (0.91, 8.12, 119.98 ppm; 4.59 A): 0 out of 5 assignments used, low quality = 0.11: QD2 LEU 48 - H ASN 121 OK 11 98 - 11 - 3.1/10317=9, 1523/10317=1 QG1 VAL 20 - H ASN 121 lone 10 96 - 10 - ~10324=4, 10713/10319=2, ~3837=2 QG2 VAL 63 - H ASN 121 lone 6 100 - 6 - 2.1/10316=4 QD1 LEU 49 - H ASN 121 lone 2 100 - 2 - QD1 LEU 62 - H ASN 121 lone 2 99 - 2 - Peak 10328 from nnoeabs.peaks (0.97, 6.88, 112.45 ppm; 5.39 A): 0 out of 2 assignments used, low quality = 0.14: QD2 LEU 53 - HD21 ASN 121 OK 14 81 - 17 - ~10334=12, ~10307=3 QG1 VAL 112 - HD21 ASN 121 lone 8 87 - 9 - 10135/10330=6 Peak 10329 from nnoeabs.peaks (0.89, 6.88, 112.45 ppm; 4.27 A): 1 out of 4 assignments used, quality = 0.58: QG1 VAL 118 + HD21 ASN 121 OK 58 81 - 71 - ~10332=21, 10333/1.7=19...(13) QG2 VAL 20 - HD21 ASN 121 lone 9 100 - 9 - 10324/4.5=3, 10333/1.7=3...(4) QD2 LEU 123 - HD21 ASN 121 poor 7 73 - 10 - 3.2/10331=4, 10306/3.5=2...(4) QD1 LEU 22 - HD21 ASN 121 lone 7 99 - 7 - 10333/1.7=3, 10324/4.5=2 Peak 10330 from nnoeabs.peaks (1.41, 6.88, 112.45 ppm; 6.80 A): 0 out of 2 assignments used, low quality = 0.00: QB ALA 16 - HD21 ASN 121 lone 8 99 - 8 - 10135/10328=6 HG LEU 96 - HD21 ASN 121 lone 2 65 - 3 - Peak 10331 from nnoeabs.peaks (1.65, 6.88, 112.45 ppm; 6.80 A): 0 out of 7 assignments used, low quality = 0.19: HB2 LEU 123 - HD21 ASN 121 OK 19 99 - 19 - 3.2/10329=5, 10305/3.5=4...(6) HG LEU 62 - HD21 ASN 121 lone 8 100 - 8 - 9316/9300=2, 9311/9299=2 HD2 LYS 19 - HD21 ASN 121 lone 6 100 - 6 - 9311/9299=1 HD3 LYS 19 - HD21 ASN 121 lone 6 100 - 6 - 9311/9299=1 HG LEU 43 - HD21 ASN 121 lone 5 92 - 5 - HB2 LEU 98 - HD21 ASN 121 lone 5 96 - 5 - 9316/9300=1 HD2 LYS 95 - HD21 ASN 121 lone 3 87 - 3 - Peak 10332 from nnoeabs.peaks (1.00, 7.78, 112.45 ppm; 4.85 A): 1 out of 3 assignments used, quality = 0.72: QG2 VAL 118 + HD22 ASN 121 OK 72 92 - 78 - 2.1/10333=28, ~10329=23...(11) QD1 LEU 69 - HD22 ASN 121 lone 2 96 - 2 - 3746/10333=1 QG2 VAL 105 - HD22 ASN 121 lone 2 100 - 2 - Peak 10333 from nnoeabs.peaks (0.90, 7.78, 112.45 ppm; 5.04 A): 3 out of 3 assignments used, quality = 0.91: QG1 VAL 118 + HD22 ASN 121 OK 88 99 - 89 - 2.1/10332=38...(14) QG2 VAL 20 + HD22 ASN 121 OK 13 87 - 15 - 10324/4.5=5, 10329/1.7=4...(5) QD1 LEU 22 + HD22 ASN 121 OK 12 98 - 12 - 10324/4.5=4, 10329/1.7=4...(4) Peak 10334 from nnoeabs.peaks (0.80, 7.78, 112.45 ppm; 6.80 A): 2 out of 3 assignments used, quality = 0.46: QD1 LEU 53 + HD22 ASN 121 OK 34 98 - 35 - ~10328=28, 10307/3.5=4 QD2 LEU 119 + HD22 ASN 121 OK 19 96 - 19 - 11558/11732=14, ~10303=2 QD2 LEU 49 - HD22 ASN 121 lone 7 100 - 7 - 10223/11732=2, 11549/10333=1 Peak 10335 from nnoeabs.peaks (3.83, 7.78, 112.45 ppm; 4.61 A): 0 out of 2 assignments used, low quality = 0.00: HA GLU 40 - HD22 ASN 121 lone 2 81 - 3 - ~10302=2 HB2 SER 50 - HD22 ASN 121 lone 1 98 - 1 - Peak 10336 from nnoeabs.peaks (3.83, 6.88, 112.45 ppm; 5.06 A): 0 out of 2 assignments used, low quality = 0.36: HD3 PRO 58 - HD21 ASN 121 OK 28 87 - 33 - 4.6/9300=9, 3.9/9299=8...(8) HB2 SER 130 - HD21 ASN 121 OK 11 96 - 11 - 9305/9300=4, 1.8/10495=2...(4) Peak 10352 from nnoeabs.peaks (2.80, 7.95, 113.43 ppm; 4.72 A): 3 out of 4 assignments used, quality = 0.86: HB2 ASN 121 + H SER 124 OK 62 98 - 63 - 3.0/7758=36, 4.3/7759=27...(7) HB3 ASN 120 + H SER 124 OK 39 100 - 39 - 3.0/7757=16, 10303/4.6=8...(7) HB2 ASN 120 + H SER 124 OK 39 100 - 39 - 3.0/7757=16, 10303/4.6=8...(7) HB3 ASP 64 - H SER 124 lone 1 100 - 1 - Peak 10359 from nnoeabs.peaks (2.22, 8.04, 119.83 ppm; 4.83 A): 3 out of 8 assignments used, quality = 0.93: HB3 GLU 128 + H CYS 125 OK 75 99 - 75 - 4095/2.9=24...(12) HB3 GLN 127 + H CYS 125 OK 53 98 - 55 - 4.0/7786=28, 3967/3.6=15...(6) HB3 GLU 102 + H CYS 125 OK 40 87 - 46 - 3.0/7775=10...(11) HB2 GLN 68 - H CYS 125 OK 24 96 - 25 - 2132/4.5=4, 3967/3.6=4...(10) HG2 GLN 68 - H CYS 125 OK 14 73 - 18 - 3967/3.6=5, 3.7/7780=3...(7) HB3 GLN 104 - H CYS 125 lone 9 100 - 9 - 11620/10365=2, 3987/2.9=1 HB3 GLU 97 - H CYS 125 lone 5 81 - 6 - ~11593=2 HG2 GLU 91 - H CYS 125 lone 4 96 - 4 - Peak 10360 from nnoeabs.peaks (2.08, 8.04, 119.83 ppm; 4.52 A): 4 out of 6 assignments used, quality = 0.86: HB2 GLU 128 + H CYS 125 OK 62 96 - 65 - 4087/2.9=20, ~4095=15...(10) HB2 GLU 102 + H CYS 125 OK 35 92 - 38 - 3.0/7775=9, 3986/2.9=7...(9) HG3 GLN 134 + H CYS 125 OK 34 92 - 37 - 4296/2.9=12, ~4287=8...(6) HB3 GLU 44 + H CYS 125 OK 14 100 - 13 - 3.0/7775=4, 3986/2.9=2...(5) HB3 LYS 39 - H CYS 125 lone 6 99 - 6 - 3986/2.9=2, 1170/3.6=1 HG3 PRO 58 - H CYS 125 lone 4 92 - 5 - ~11592=1, ~11593=1 Peak 10363 from nnoeabs.peaks (1.62, 8.04, 119.83 ppm; 5.50 A): 1 out of 5 assignments used, quality = 0.63: HG LEU 119 + H CYS 125 OK 63 98 - 65 - ~11551=22, 11595/3.9=21...(7) HG LEU 22 - H CYS 125 lone 7 99 - 7 - 10371/4.5=2, 3758/7781=1 HB3 LEU 22 - H CYS 125 lone 7 99 - 7 - 10371/4.5=2, 3758/7781=1 HG3 ARG 23 - H CYS 125 lone 5 81 - 6 - 11595/3.9=2 HG LEU 70 - H CYS 125 lone 2 81 - 3 - Peak 10365 from nnoeabs.peaks (0.95, 8.04, 119.83 ppm; 4.15 A): 2 out of 4 assignments used, quality = 0.70: QG1 VAL 126 + H CYS 125 OK 54 100 - 54 - 4.0/7785=20, 4.3/7786=19...(8) QG2 VAL 126 + H CYS 125 OK 36 73 - 49 - 4.0/7785=20, 4.4/7786=19...(6) QG1 VAL 105 - H CYS 125 lone 3 96 - 3 - 7798/3.6=1 QG1 VAL 57 - H CYS 125 lone 3 81 - 3 - Peak 10366 from nnoeabs.peaks (0.79, 8.04, 119.83 ppm; 4.24 A): 4 out of 4 assignments used, quality = 0.79: QD1 LEU 53 + H CYS 125 OK 39 100 - 39 - 11728=12, 10399/3.6=11...(7) QD2 LEU 119 + H CYS 125 OK 34 73 - 46 - 2.1/10363=17, ~11551=11...(7) QD2 LEU 122 + H CYS 125 OK 32 87 - 37 - 3.9/7775=13, 10399/3.6=8...(8) QD2 LEU 49 + H CYS 125 OK 24 96 - 25 - 11585/3.4=5, 10399/3.6=5...(8) Peak 10374 from nnoeabs.peaks (2.08, 7.95, 113.43 ppm; 5.82 A): 4 out of 7 assignments used, quality = 0.65: HB2 GLU 102 + H SER 124 OK 35 100 - 35 - 3.0/7760=9, 10360/3.4=7...(7) HB2 GLU 128 + H SER 124 OK 30 99 - 31 - 10360/3.4=13, ~10359=10, ~3967=9 HB3 GLU 44 + H SER 124 OK 13 92 - 14 - 3.0/7760=5, ~7775=3...(4) HG3 GLN 134 + H SER 124 OK 12 100 - 12 - 10360/3.4=7, 10598/4.6=2 HB3 LYS 39 - H SER 124 lone 5 96 - 5 - 10360/3.4=1, 4.7/7772=1 HB VAL 57 - H SER 124 lone 2 81 - 3 - HB3 GLN 82 - H SER 124 lone 1 65 - 2 - Peak 10392 from nnoeabs.peaks (3.86, 8.29, 121.89 ppm; 5.12 A): 2 out of 4 assignments used, quality = 0.55: HA LEU 123 + H VAL 126 OK 43 65 - 66 - 3.6/7790=36...(7) HD2 PRO 81 + H VAL 126 OK 20 92 - 22 - 10393/4.0=13, 4008/3.7=4...(4) HD2 PRO 117 - H VAL 126 lone 8 98 - 8 - 10393/4.0=5, 9206/10399=1 HB3 SER 33 - H VAL 126 lone 8 92 - 8 - 10393/4.0=2, 4008/3.7=1 Peak 10399 from nnoeabs.peaks (0.79, 8.29, 121.89 ppm; 4.12 A): 4 out of 5 assignments used, quality = 0.83: QD1 LEU 53 + H VAL 126 OK 56 98 - 57 - 10401/2.9=18...(8) QD2 LEU 122 + H VAL 126 OK 43 96 - 45 - 2.1/10405=28, 3.9/7788=6...(6) QD2 LEU 49 + H VAL 126 OK 24 87 - 28 - 10401/2.9=8, 11614/4.0=6...(7) QG1 VAL 63 + H VAL 126 OK 13 73 - 18 - 4.0/7800=6, 10407/3.7=4...(4) QD1 LEU 103 - H VAL 126 lone 4 65 - 7 - 3890/10405=2 Peak 10400 from nnoeabs.peaks (0.64, 8.29, 121.89 ppm; 5.75 A): 1 out of 1 assignment used, quality = 0.93: QD1 ILE 129 + H VAL 126 OK 93 98 - 95 - 10402/2.9=42, ~11631=32...(15) Peak 10405 from nnoeabs.peaks (1.60, 8.29, 121.89 ppm; 4.79 A): 0 out of 1 assignment used, low quality = 0.16: HG LEU 122 - H VAL 126 OK 16 73 - 22 - 2.1/10399=14, 4.3/7788=9 Peak 10419 from nnoeabs.peaks (3.82, 6.82, 112.36 ppm; 5.84 A): 3 out of 3 assignments used, quality = 0.64: HB2 SER 130 + HE21 GLN 127 OK 44 99 - 44 - 10420/1.7=25, 4175/5.6=24 HA VAL 118 + HE21 GLN 127 OK 28 96 - 29 - 10420/1.7=12, 4037/5.6=6...(5) HD3 PRO 58 + HE21 GLN 127 OK 11 100 - 10 - 10420/1.7=5, 4037/5.6=3 Peak 10420 from nnoeabs.peaks (3.82, 7.48, 112.36 ppm; 5.53 A): 2 out of 3 assignments used, quality = 0.56: HB2 SER 130 + HE22 GLN 127 OK 43 100 - 44 - 4175/5.6=22...(3) HA VAL 118 + HE22 GLN 127 OK 21 81 - 26 - 10419/1.7=12, 4037/5.6=6...(5) HD3 PRO 58 - HE22 GLN 127 lone 9 98 - 9 - 10419/1.7=5, 4037/5.6=3 Peak 10428 from nnoeabs.peaks (2.75, 7.88, 119.85 ppm; 6.80 A): 2 out of 5 assignments used, quality = 0.61: HB2 CYS 125 + H GLU 128 OK 55 73 - 75 - 3.0/3985=41, ~11590=28...(4) HB3 ASP 78 + H GLU 128 OK 13 87 - 15 - 11161/4.7=5, 3982/3985=3...(4) HB3 ASP 35 - H GLU 128 lone 7 87 - 8 - 4.7/7855=3, 972/4.2=1 HB2 CYS 73 - H GLU 128 lone 3 96 - 3 - HB2 ASP 64 - H GLU 128 lone 2 81 - 3 - Peak 10430 from nnoeabs.peaks (1.57, 6.82, 112.36 ppm; 4.62 A): 2 out of 4 assignments used, quality = 0.52: HG LEU 49 + HE21 GLN 127 OK 39 100 - 39 - 2.1/10431=16...(3) HG2 ARG 23 + HE21 GLN 127 OK 22 99 - 22 - 3.6/11877=20, 1584/10431=1 HB2 LEU 103 - HE21 GLN 127 lone 4 96 - 5 - HG LEU 123 - HE21 GLN 127 lone 4 87 - 4 - 10433/1.7=2, 1584/10431=1 Peak 10431 from nnoeabs.peaks (0.91, 6.82, 112.36 ppm; 3.59 A): 3 out of 5 assignments used, quality = 0.71: QD1 LEU 49 + HE21 GLN 127 OK 40 100 - 40 - 2.1/10430=12, ~10433=11...(7) QD1 LEU 62 + HE21 GLN 127 OK 38 99 - 38 - 10434/1.7=11...(8) QG2 VAL 63 + HE21 GLN 127 OK 23 100 - 23 - 10434/1.7=6, 10435/3.5=6...(6) QD2 LEU 48 - HE21 GLN 127 lone 10 98 - 10 - 9205/10430=3...(4) QG1 VAL 20 - HE21 GLN 127 lone 3 96 - 3 - Peak 10433 from nnoeabs.peaks (1.56, 7.48, 112.36 ppm; 4.66 A): 0 out of 4 assignments used, low quality = 0.29: HG LEU 49 - HE22 GLN 127 OK 29 81 - 36 - 2.1/10434=17, ~10431=12 HG13 ILE 37 - HE22 GLN 127 lone 7 96 - 7 - ~9025=6 HG LEU 123 - HE22 GLN 127 lone 3 99 - 3 - 10430/1.7=1 HG LEU 103 - HE22 GLN 127 lone 2 65 - 2 - ~10430=2 Peak 10434 from nnoeabs.peaks (0.92, 7.48, 112.36 ppm; 3.54 A): 3 out of 7 assignments used, quality = 0.69: QD1 LEU 49 + HE22 GLN 127 OK 38 96 - 40 - 2.1/10433=15...(7) QD1 LEU 62 + HE22 GLN 127 OK 37 98 - 38 - 10431/1.7=10...(8) QG2 VAL 63 + HE22 GLN 127 OK 20 87 - 23 - 10431/1.7=6, 10435/3.5=5...(6) QD2 LEU 48 - HE22 GLN 127 lone 6 73 - 7 - 10431/1.7=3, 10435/3.5=2 QD1 LEU 48 - HE22 GLN 127 lone 4 81 - 5 - ~10431=2, 10437/3.5=1 QG1 VAL 20 - HE22 GLN 127 lone 2 65 - 2 - QG2 VAL 112 - HE22 GLN 127 lone 1 81 - 2 - Peak 10439 from nnoeabs.peaks (1.43, 7.88, 119.85 ppm; 4.89 A): 4 out of 4 assignments used, quality = 0.80: QB ALA 92 + H GLU 128 OK 61 96 - 64 - 10446/4.6=20...(11) HG2 LYS 86 + H GLU 128 OK 29 92 - 32 - 10445/3.6=11...(7) HG2 LYS 26 + H GLU 128 OK 18 81 - 23 - 10476/4.2=6, 10444/3.6=6...(4) QB ALA 34 + H GLU 128 OK 13 81 - 16 - 10445/3.6=7...(5) Peak 10440 from nnoeabs.peaks (0.94, 7.88, 119.85 ppm; 4.91 A): 0 out of 3 assignments used, low quality = 0.38: QG1 VAL 57 - H GLU 128 OK 22 98 - 22 - 4.1/7855=9, 1807/4.2=7...(5) QD1 LEU 119 - H GLU 128 OK 20 96 - 21 - 11611/3.6=15, 11557/4.7=5 QG2 ILE 37 - H GLU 128 poor 7 57 - 11 - 11611/3.6=9 Peak 10441 from nnoeabs.peaks (0.83, 7.88, 119.85 ppm; 5.59 A): 4 out of 4 assignments used, quality = 0.82: QG2 ILE 129 + H GLU 128 OK 61 87 - 70 - 4.0/7862=33, 4.2/7879=28...(6) HG13 ILE 80 + H GLU 128 OK 31 96 - 33 - 10443/2.9=14...(5) QG1 VAL 133 + H GLU 128 OK 22 65 - 33 - 11623/3.6=28...(3) QD1 LEU 70 + H GLU 128 OK 15 65 - 22 - 10443/2.9=11, 9489/4.6=4...(5) Peak 10475 from nnoeabs.peaks (0.96, 8.00, 119.54 ppm; 4.60 A): 4 out of 5 assignments used, quality = 0.88: QG2 VAL 126 + H ILE 129 OK 65 99 - 65 - 3.2/7859=37, 4.4/7820=21...(5) QG1 VAL 126 + H ILE 129 OK 52 92 - 57 - 3.2/7859=37, 4.3/7820=21...(4) QD2 LEU 53 + H ILE 129 OK 19 92 - 21 - 10489/4.9=5, 11622/4.5=4...(6) QG1 VAL 105 + H ILE 129 OK 14 99 - 14 - 3473/3.6=7, 3.2/7863=5 QG1 VAL 112 - H ILE 129 lone 6 87 - 7 - 11622/4.5=4 Peak 10476 from nnoeabs.peaks (1.43, 8.00, 119.54 ppm; 4.58 A): 3 out of 4 assignments used, quality = 0.91: QB ALA 92 + H ILE 129 OK 80 99 - 81 - 9952/2.9=36, 9946/4.0=19...(13) HG2 LYS 26 + H ILE 129 OK 34 92 - 36 - 10478/2.9=7, 10491/4.9=6...(11) HG2 LYS 86 + H ILE 129 OK 31 81 - 38 - 10481/4.0=9, 10478/2.9=7...(10) QB ALA 34 - H ILE 129 poor 10 65 - 15 - 10445/4.5=4, 10439/4.2=2...(7) Peak 10497 from nnoeabs.peaks (0.97, 8.04, 112.76 ppm; 4.58 A): 2 out of 3 assignments used, quality = 0.55: QG2 VAL 126 + H SER 130 OK 42 73 - 57 - 3.2/7877=32, 11603=13...(9) QD2 LEU 53 + H SER 130 OK 23 92 - 25 - 2.1/11728=7, 11643/3.9=6...(9) QG1 VAL 112 - H SER 130 lone 5 96 - 5 - 11643/3.9=2 Peak 10498 from nnoeabs.peaks (1.36, 8.04, 112.76 ppm; 5.54 A): 0 out of 2 assignments used, low quality = 0.25: QB ALA 12 - H SER 130 OK 15 98 - 15 - 10403/7877=12, 11088/11091=2 HG2 LYS 19 - H SER 130 OK 11 73 - 16 - 11088/11091=10, 3.0/7886=3 Peak 10499 from nnoeabs.peaks (2.21, 8.04, 112.76 ppm; 6.34 A): 0 out of 4 assignments used, low quality = 0.00: HB3 GLN 104 - H SER 130 poor 8 73 - 11 - ~4174=7, 7865/3.6=1 HB2 GLN 68 - H SER 130 lone 8 92 - 9 - 2130/4036=4, 2065/7878=1 HB3 GLU 97 - H SER 130 lone 4 99 - 4 - HB2 GLN 101 - H SER 130 lone 3 73 - 4 - Peak 10510 from nnoeabs.peaks (1.64, 8.27, 119.63 ppm; 3.48 A): 0 out of 3 assignments used, low quality = 0.11: HG LEU 43 - H ASP 131 OK 11 81 - 13 - 3.7/7899=3, 1368/3.6=3...(5) HG3 ARG 84 - H ASP 131 lone 1 100 - 1 - HG2 ARG 84 - H ASP 131 lone 1 100 - 1 - Peak 10511 from nnoeabs.peaks (1.15, 8.27, 119.63 ppm; 4.05 A): 1 out of 3 assignments used, quality = 0.45: QG2 VAL 132 + H ASP 131 OK 45 65 - 69 - 4.4/7906=14, ~4220=14...(9) HB3 LEU 62 - H ASP 131 lone 8 98 - 9 - ~10525=2, ~10999=2 HG3 LYS 39 - H ASP 131 poor 8 65 - 12 - 10910/10512=4, ~7918=2, ~7919=2 Peak 10512 from nnoeabs.peaks (0.93, 8.27, 119.63 ppm; 3.66 A): 0 out of 4 assignments used, low quality = 0.13: QG2 ILE 37 - H ASP 131 OK 13 73 - 18 - 11745/3.6=11...(3) QD1 LEU 123 - H ASP 131 lone 3 100 - 3 - 11745/3.6=2 QG2 VAL 112 - H ASP 131 lone 2 96 - 3 - QD1 LEU 48 - H ASP 131 lone 2 96 - 2 - Peak 10513 from nnoeabs.peaks (0.81, 8.27, 119.63 ppm; 3.41 A): 0 out of 3 assignments used, low quality = 0.32: QD1 LEU 70 - H ASP 131 OK 24 73 - 33 - 11099=8, 11101/3.6=6...(10) QG2 ILE 80 - H ASP 131 OK 10 98 - 10 - 11746/3.6=3...(4) QD1 LEU 122 - H ASP 131 lone 1 96 - 1 - Peak 10522 from nnoeabs.peaks (0.83, 8.47, 118.09 ppm; 4.75 A): 2 out of 2 assignments used, quality = 0.93: QG1 VAL 133 + H VAL 132 OK 91 98 - 92 - 2.1/10564=29...(15) QD2 LEU 22 + H VAL 132 OK 30 73 - 40 - 7934/3.3=12, ~392=7...(10) Peak 10525 from nnoeabs.peaks (2.05, 8.47, 118.09 ppm; 5.49 A): 6 out of 8 assignments used, quality = 0.62: HG3 PRO 117 + H VAL 132 OK 19 99 - 19 - 11529/4.0=5, ~10582=5...(6) HG2 PRO 117 + H VAL 132 OK 16 92 - 17 - 11529/4.0=5, ~10582=4...(5) HB2 LEU 62 + H VAL 132 OK 15 73 - 21 - 1975/4.0=6, ~10511=5...(7) HG3 PRO 81 + H VAL 132 OK 15 98 - 15 - 11529/4.0=4, 10517/4.7=3...(5) HB2 GLN 127 + H VAL 132 OK 14 73 - 19 - ~7894=13, 10507/10496=2...(4) HB3 GLU 55 + H VAL 132 OK 10 81 - 13 - 10575/10564=4...(3) HB VAL 118 - H VAL 132 lone 4 73 - 6 - 10582/3.3=2, ~7900=1 QE MET 11 - H VAL 132 lone 3 73 - 4 - 10575/10564=1 Peak 10548 from nnoeabs.peaks (7.31, 8.14, 117.00 ppm; 4.75 A): 3 out of 3 assignments used, quality = 0.86: H ARG 135 + H VAL 133 OK 75 92 - 81 - 10624/3.6=29, 10611=29...(10) HZ PHE 89 + H VAL 133 OK 32 99 - 32 - 10553/4.0=17...(3) QD PHE 87 + H VAL 133 OK 17 57 - 29 - 3.8/10549=16...(5) Peak 10549 from nnoeabs.peaks (7.11, 8.14, 117.00 ppm; 6.80 A): 0 out of 1 assignment used, low quality = 0.00: HZ PHE 87 - H VAL 133 poor 9 57 - 16 - 2.2/9846=7, 3.8/10548=6 Peak 10550 from nnoeabs.peaks (6.48, 8.14, 117.00 ppm; 5.50 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10580 from nnoeabs.peaks (0.74, 8.14, 117.00 ppm; 4.77 A): 0 out of 1 assignment used, low quality = 0.40: QD2 LEU 103 - H VAL 133 OK 40 98 - 41 - 11721/4.2=25...(4) Peak 10582 from nnoeabs.peaks (2.06, 8.14, 117.00 ppm; 5.12 A): 5 out of 8 assignments used, quality = 0.55: HB2 LEU 62 + H VAL 133 OK 19 100 - 19 - 1975/4.4=8, 1.8/7931=3...(6) HG2 PRO 117 + H VAL 133 OK 15 96 - 16 - ~10525=4, 11529/4.2=3...(6) HG3 PRO 113 + H VAL 133 OK 15 98 - 15 - 2.3/7929=4, 3620/4.7=3...(6) HG3 PRO 117 + H VAL 133 OK 13 81 - 16 - ~10525=4, 10575/4.0=3...(6) HB VAL 118 + H VAL 133 OK 11 100 - 11 - 11716/10580=6...(3) HG3 PRO 81 - H VAL 133 poor 9 87 - 10 - 10575/4.0=3, 11529/4.2=2...(4) HB2 GLN 127 - H VAL 133 lone 8 100 - 8 - 10525/3.3=2 HB3 GLN 27 - H VAL 133 lone 2 98 - 2 - Peak 10583 from nnoeabs.peaks (2.67, 8.14, 117.00 ppm; 6.80 A): 0 out of 1 assignment used, low quality = 0.00: HB2 ASP 35 - H VAL 133 lone 2 81 - 3 - Peak 10593 from nnoeabs.peaks (0.74, 7.49, 116.34 ppm; 4.49 A): 2 out of 4 assignments used, quality = 0.63: QD2 LEU 103 + H GLN 134 OK 50 100 - 50 - 11685/4.9=21...(6) QG1 VAL 93 + H GLN 134 OK 26 73 - 36 - 11322/4.3=18, ~9955=8...(5) HG12 ILE 129 - H GLN 134 lone 4 73 - 6 - 11682/3.0=2, 11747/7938=1 QD2 LEU 96 - H GLN 134 lone 2 81 - 3 - Peak 10606 from nnoeabs.peaks (1.17, 7.49, 116.34 ppm; 5.00 A): 2 out of 3 assignments used, quality = 0.67: QB ALA 41 + H GLN 134 OK 58 99 - 58 - 9062/6.9=16, 1285=14...(11) HG12 ILE 32 + H GLN 134 OK 21 87 - 24 - 10567/4.4=15, 911/4.6=4...(4) QG2 THR 18 - H GLN 134 lone 5 98 - 5 - Peak 10607 from nnoeabs.peaks (1.72, 7.49, 116.34 ppm; 5.57 A): 4 out of 5 assignments used, quality = 0.74: HB2 LEU 43 + H GLN 134 OK 52 81 - 64 - 11683/3.0=31...(6) HB3 LEU 70 + H GLN 134 OK 23 87 - 26 - 3.2/7940=10, 11683/3.0=6...(7) HD3 LYS 39 + H GLN 134 OK 17 81 - 21 - 5.3/1146=8, 3.6/7951=4...(5) HB2 LEU 70 + H GLN 134 OK 16 65 - 24 - 3.2/7940=10, ~11683=4...(6) HG LEU 48 - H GLN 134 lone 3 81 - 3 - 7983/4.7=1 Peak 10611 from nnoeabs.peaks (8.15, 7.31, 125.67 ppm; 4.50 A): 3 out of 5 assignments used, quality = 0.86: H VAL 133 + H ARG 135 OK 82 99 - 82 - 3.6/10624=31, 10548=22...(9) H LEU 22 + H ARG 135 OK 12 100 - 12 - 7942/4.7=4, 6191/10556=3...(5) H ILE 32 + H ARG 135 OK 11 81 - 13 - 7942/4.7=3, 4.0/7982=2...(5) H ASP 71 - H ARG 135 poor 9 57 - 16 - 4.3/7983=3, 4.3/7983=3...(5) H ALA 15 - H ARG 135 lone 6 92 - 6 - 7942/4.7=1, 4212/10624=1 Peak 10612 from nnoeabs.peaks (7.07, 7.31, 125.67 ppm; 4.27 A): 0 out of 1 assignment used, low quality = 0.43: QD PHE 89 - H ARG 135 OK 43 92 - 47 - 10615/5.0=16...(8) Peak 10624 from nnoeabs.peaks (3.52, 7.31, 125.67 ppm; 4.11 A): 1 out of 1 assignment used, quality = 0.73: HA VAL 132 + H ARG 135 OK 73 98 - 75 - 10019/5.0=17...(11) Peak 10625 from nnoeabs.peaks (3.79, 7.31, 125.67 ppm; 4.93 A): 0 out of 2 assignments used, low quality = 0.43: HA ARG 90 - H ARG 135 OK 43 100 - 43 - 10604/4.9=19...(6) HB2 SER 9 - H ARG 135 lone 2 57 - 3 - 10605/4.9=1 Peak 10626 from nnoeabs.peaks (3.80, 7.13, 112.66 ppm; 4.31 A): 0 out of 3 assignments used, low quality = 0.23: HA ARG 90 - HE22 GLN 134 OK 23 81 - 28 - 10604/3.5=12...(6) HB2 SER 9 - HE22 GLN 134 lone 3 98 - 3 - 10605/3.5=2 HB3 SER 9 - HE22 GLN 134 lone 2 96 - 2 - 10605/3.5=1 Peak 10629 from nnoeabs.peaks (1.03, 7.13, 112.66 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.59: QG2 VAL 133 + HE22 GLN 134 OK 59 87 - 68 - 7946/6.9=24...(9) Peak 10630 from nnoeabs.peaks (0.76, 7.13, 112.66 ppm; 3.73 A): 0 out of 1 assignment used, low quality = 0.00: QD1 LEU 96 - HE22 GLN 134 lone 3 81 - 4 - 11678/10629=2, 11064/11080=1 Peak 10631 from nnoeabs.peaks (1.13, 7.31, 125.67 ppm; 4.64 A): 3 out of 4 assignments used, quality = 0.92: QG1 VAL 132 + H ARG 135 OK 71 99 - 72 - 3.2/10624=35...(11) QG2 VAL 132 + H ARG 135 OK 52 87 - 60 - 3.2/10624=36...(8) HG2 LYS 39 + H ARG 135 OK 40 99 - 40 - 3.0/7983=7, 11689/5.0=6...(13) QG2 THR 115 - H ARG 135 lone 3 99 - 3 - Peak 10632 from nnoeabs.peaks (1.04, 7.31, 125.67 ppm; 5.38 A): 1 out of 1 assignment used, quality = 0.91: QG2 VAL 133 + H ARG 135 OK 91 99 - 91 - 2.1/10556=34...(14) Peak 10633 from nnoeabs.peaks (0.81, 7.31, 125.67 ppm; 5.56 A): 2 out of 4 assignments used, quality = 0.50: QG2 ILE 80 + H ARG 135 OK 41 99 - 42 - 9740/7.3=18, 3.1/9748=16...(4) QD1 LEU 70 + H ARG 135 OK 15 81 - 19 - 3.2/7983=4, 3.2/7983=4...(6) QG2 ILE 129 - H ARG 135 poor 9 57 - 16 - 11634/10612=6...(4) QD1 LEU 122 - H ARG 135 lone 6 92 - 6 - 9882/10612=1, 10531/10631=1 Peak 10642 from nnoeabs.peaks (7.27, 8.71, 120.74 ppm; 6.17 A): 1 out of 3 assignments used, quality = 1.00: * HD2 HIS 10 + H HIS 10 OK 100 100 - 100 - 6.0=100 H ASN 85 - H HIS 10 lone 6 92 - 6 - 10644/3.0=1, 10643/4.0=1 QE PHE 87 - H HIS 10 lone 3 81 - 3 - Peak 10647 from nnoeabs.peaks (1.37, 8.41, 122.27 ppm; 5.82 A): 0 out of 7 assignments used, low quality = 0.00: HG2 LYS 19 - H MET 11 lone 3 87 - 3 - HB2 LEU 42 - H MET 11 lone 1 73 - 2 - HB3 LEU 100 - H MET 11 lone 1 65 - 2 - HG2 LYS 24 - H MET 11 lone 1 65 - 2 - HB2 LEU 96 - H MET 11 lone 1 57 - 2 - HG2 LYS 36 - H MET 11 lone 1 57 - 2 - QB ALA 29 - H MET 11 lone 1 57 - 2 - Peak 10653 from nnoeabs.peaks (2.02, 8.44, 118.33 ppm; 5.12 A): 0 out of 8 assignments used, low quality = 0.45: HB3 MET 11 - H ASN 13 OK 33 96 - 35 - 6076/4.3=24, 1.8/139=5...(4) HB2 GLN 134 - H ASN 13 OK 17 99 - 18 - 11681/5.6=15, 6076/4.3=1 HB VAL 63 - H ASN 13 lone 6 98 - 6 - 6076/4.3=4 HG2 ARG 90 - H ASN 13 lone 5 96 - 5 - 3.8/2792=2, 6076/4.3=2 HB3 GLU 30 - H ASN 13 lone 3 100 - 3 - HB2 GLU 44 - H ASN 13 lone 2 92 - 2 - HG2 PRO 58 - H ASN 13 lone 2 73 - 2 - HB3 PRO 117 - H ASN 13 lone 1 57 - 2 - Peak 10655 from nnoeabs.peaks (1.37, 7.60, 112.82 ppm; 5.38 A): 2 out of 2 assignments used, quality = 0.68: HG2 LYS 19 + HD21 ASN 13 OK 60 98 - 61 - 10657/1.7=30...(5) QB ALA 12 + HD21 ASN 13 OK 20 73 - 27 - 10657/1.7=14, 6085/5.6=14 Peak 10657 from nnoeabs.peaks (1.36, 6.90, 112.82 ppm; 4.81 A): 2 out of 2 assignments used, quality = 0.61: HG2 LYS 19 + HD22 ASN 13 OK 49 100 - 49 - 10655/1.7=24...(5) QB ALA 12 + HD22 ASN 13 OK 23 92 - 25 - 6085/5.6=18, 10655/1.7=8 Peak 10659 from nnoeabs.peaks (1.35, 8.37, 109.62 ppm; 4.37 A): 1 out of 2 assignments used, quality = 0.51: QB ALA 12 + H GLY 14 OK 51 96 - 54 - 3.7/6091=30, 5.0/6106=26 HG2 LYS 19 - H GLY 14 lone 4 65 - 6 - 6085/4.7=4 Peak 10666 from nnoeabs.peaks (2.12, 8.03, 122.31 ppm; 3.95 A): 1 out of 1 assignment used, quality = 0.56: HB VAL 112 + H ALA 16 OK 56 92 - 61 - 2.1/10667=26, 11479=20...(6) Peak 10667 from nnoeabs.peaks (0.93, 8.03, 122.31 ppm; 3.78 A): 0 out of 5 assignments used, low quality = 0.42: QG2 VAL 112 - H ALA 16 OK 42 73 - 58 - 2.1/10666=32, ~10135=16...(7) QG2 ILE 37 - H ALA 16 lone 9 96 - 9 - 10911/2.9=3, 9023/4.6=2 QD1 LEU 123 - H ALA 16 lone 4 96 - 4 - 10678/4.6=2, 3554/10666=1 QD1 LEU 48 - H ALA 16 lone 3 73 - 4 - 10678/4.6=2 QD1 LEU 119 - H ALA 16 lone 1 57 - 2 - Peak 10668 from nnoeabs.peaks (0.81, 8.03, 122.31 ppm; 5.14 A): 3 out of 3 assignments used, quality = 0.74: QG2 ILE 80 + H ALA 16 OK 57 98 - 58 - 11176/2.9=35, ~9713=24...(5) QD1 LEU 122 + H ALA 16 OK 33 96 - 34 - ~10671=19, 10673/2.9=15...(4) QD1 LEU 70 + H ALA 16 OK 12 73 - 16 - ~11114=4, 9488/2.9=4...(6) Peak 10674 from nnoeabs.peaks (1.14, 8.03, 122.31 ppm; 5.41 A): 3 out of 4 assignments used, quality = 0.67: QG2 VAL 132 + H ALA 16 OK 51 96 - 54 - 2.1/11652=23, ~10669=13...(10) HB3 LEU 62 + H ALA 16 OK 18 99 - 19 - ~9394=15, 11932/10668=1 QG2 THR 115 + H ALA 16 OK 17 73 - 23 - 10669/3.0=8...(6) HG2 LYS 39 - H ALA 16 lone 4 73 - 5 - Peak 10675 from nnoeabs.peaks (3.92, 8.03, 122.31 ppm; 4.68 A): 4 out of 4 assignments used, quality = 0.87: HB2 SER 107 + H ALA 16 OK 49 98 - 50 - 10109/2.9=26...(4) HA3 GLY 14 + H ALA 16 OK 47 87 - 54 - 4.9/205=21, 3.6/6122=19...(7) HA2 GLY 14 + H ALA 16 OK 43 81 - 54 - 4.9/205=21, 3.6/6122=19...(7) HA2 GLY 111 + H ALA 16 OK 13 87 - 15 - 10129/10666=5...(4) Peak 10678 from nnoeabs.peaks (0.93, 8.32, 107.83 ppm; 5.45 A): 0 out of 3 assignments used, low quality = 0.30: QG2 VAL 112 - H GLY 17 OK 30 99 - 30 - 10667/4.6=19...(3) QD1 LEU 48 - H GLY 17 lone 10 99 - 10 - 10680/3.0=3, 10680/3.0=3 QD1 LEU 123 - H GLY 17 lone 8 99 - 8 - 10667/4.6=2, 10680/3.0=2 Peak 10681 from nnoeabs.peaks (8.20, 7.97, 113.82 ppm; 4.36 A): 0 out of 2 assignments used, low quality = 0.10: H VAL 63 - H THR 18 OK 10 100 - 10 - 3.7/10684=8, 6810/10684=1 H GLN 127 - H THR 18 lone 6 96 - 6 - 2.9/6138=1, 7812/3.6=1...(4) Peak 10683 from nnoeabs.peaks (1.36, 7.97, 113.82 ppm; 3.82 A): 2 out of 2 assignments used, quality = 0.49: HG2 LYS 19 + H THR 18 OK 30 81 - 37 - 4.9/6142=19...(4) QB ALA 12 + H THR 18 OK 27 99 - 27 - 10686/3.0=15...(5) Peak 10684 from nnoeabs.peaks (0.91, 7.97, 113.82 ppm; 4.62 A): 3 out of 7 assignments used, quality = 0.52: QG2 VAL 63 + H THR 18 OK 29 96 - 31 - 3.7/10681=19...(7) QD1 LEU 62 + H THR 18 OK 19 100 - 19 - 10680/3.6=5, 10680/3.6=5...(6) QG1 VAL 20 + H THR 18 OK 16 81 - 20 - 10698/4.7=9, 10685/3.0=6 QG2 VAL 112 - H THR 18 poor 8 65 - 13 - 10680/3.6=5, 10680/3.6=5 QD1 LEU 48 - H THR 18 lone 6 65 - 10 - ~10685=4, 10680/3.6=2 QD2 LEU 48 - H THR 18 lone 6 87 - 7 - 10685/3.0=2, 10698/4.7=2 QD1 LEU 49 - H THR 18 lone 4 99 - 4 - 6810/10681=1 Peak 10698 from nnoeabs.peaks (0.91, 8.35, 123.97 ppm; 4.36 A): 3 out of 6 assignments used, quality = 0.69: QG1 VAL 20 + H LYS 19 OK 53 100 - 53 - 4.0/6159=33...(6) QG2 VAL 63 + H LYS 19 OK 25 99 - 25 - 11764/3.0=5, 10684/4.7=5...(7) QD2 LEU 48 + H LYS 19 OK 12 100 - 12 - 10685/3.6=4, 10687/4.6=3...(5) QD1 LEU 62 - H LYS 19 poor 9 92 - 10 - 10684/4.7=3, 11002/4.6=2 QG1 VAL 118 - H LYS 19 lone 6 65 - 9 - 10685/3.6=2, 11764/3.0=2...(4) QD1 LEU 49 - H LYS 19 lone 5 96 - 5 - 6171/4.6=3 Peak 10699 from nnoeabs.peaks (3.98, 8.35, 123.97 ppm; 4.30 A): 0 out of 6 assignments used, low quality = 0.00: HB3 SER 106 - H LYS 19 lone 4 100 - 4 - 11854/10698=2, 11854/10698=1 HA GLU 91 - H LYS 19 lone 3 98 - 3 - ~7226=2 HA THR 65 - H LYS 19 lone 1 81 - 2 - HA GLN 127 - H LYS 19 lone 1 73 - 2 - 4.9/6146=1 HB3 SER 51 - H LYS 19 lone 1 96 - 1 - HB3 SER 94 - H LYS 19 lone 1 92 - 1 - Peak 10700 from nnoeabs.peaks (4.79, 8.35, 123.97 ppm; 4.67 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10716 from nnoeabs.peaks (1.18, 8.06, 121.67 ppm; 5.34 A): 3 out of 3 assignments used, quality = 0.77: QG2 THR 18 + H VAL 20 OK 61 96 - 64 - 4.3/6159=41...(5) QG2 VAL 77 + H VAL 20 OK 32 87 - 37 - 9678=28, 9662/4.0=7, 11763/3.6=3 QB ALA 41 + H VAL 20 OK 12 92 - 13 - 9061/4.7=7, 6147/4.6=2 Peak 10719 from nnoeabs.peaks (2.00, 8.15, 121.80 ppm; 5.26 A): 3 out of 9 assignments used, quality = 0.76: HB VAL 20 + H LEU 22 OK 64 98 - 66 - 4.5/6184=33...(5) HB2 GLU 91 + H LEU 22 OK 24 96 - 25 - ~10722=15, ~10721=10 HG2 PRO 81 + H LEU 22 OK 12 100 - 12 - ~10723=8, 6177/4.6=1 HB3 LEU 53 - H LEU 22 lone 5 92 - 5 - 1653/10724=2, 6177/4.6=1 HB ILE 129 - H LEU 22 lone 4 96 - 4 - 6177/4.6=2 HB3 PRO 56 - H LEU 22 lone 4 99 - 4 - 6177/4.6=1 HG2 PRO 56 - H LEU 22 lone 2 65 - 3 - HG3 PRO 56 - H LEU 22 lone 2 65 - 3 - HB2 GLU 55 - H LEU 22 lone 1 73 - 1 - Peak 10724 from nnoeabs.peaks (3.99, 8.15, 121.80 ppm; 4.75 A): 1 out of 4 assignments used, quality = 0.70: HA VAL 20 + H LEU 22 OK 70 98 - 71 - 3.6/6184=34...(7) HA SER 50 - H LEU 22 lone 6 98 - 6 - 6176/4.6=3, 11783/4.6=1 HA GLN 68 - H LEU 22 lone 6 100 - 6 - 6176/4.6=2 HB2 SER 124 - H LEU 22 lone 5 99 - 5 - 6176/4.6=1 Peak 10726 from nnoeabs.peaks (1.34, 8.24, 121.99 ppm; 4.59 A): 0 out of 2 assignments used, low quality = 0.43: QB ALA 21 - H ARG 23 OK 43 99 - 43 - 3.7/6193=33, 2.1/6202=5...(5) QB ALA 46 - H ARG 23 lone 4 99 - 4 - 6186/4.6=2 Peak 10733 from nnoeabs.peaks (0.92, 8.37, 122.93 ppm; 4.81 A): 0 out of 7 assignments used, low quality = 0.30: QD1 LEU 49 - H LYS 24 OK 18 96 - 19 - 2.1/6215=11, 1584/4.6=7 QD1 LEU 62 - H LYS 24 OK 15 98 - 15 - 9388/3.0=5, ~11000=3...(4) QG1 VAL 20 - H LYS 24 lone 4 65 - 5 - 10714/5.1=2, 1570/4.6=1 QD2 LEU 48 - H LYS 24 lone 3 73 - 4 - 9205/6215=2, 9205/4.6=1 QG2 VAL 112 - H LYS 24 lone 2 81 - 3 - QG2 VAL 63 - H LYS 24 lone 1 87 - 2 - QD1 LEU 48 - H LYS 24 lone 1 81 - 1 - Peak 10740 from nnoeabs.peaks (1.19, 8.37, 122.93 ppm; 5.29 A): 1 out of 1 assignment used, quality = 0.61: QG2 THR 25 + H LYS 24 OK 61 87 - 71 - 4.0/6228=43, 3.2/582=20...(6) Peak 10744 from nnoeabs.peaks (1.96, 8.37, 123.67 ppm; 5.19 A): 0 out of 5 assignments used, low quality = 0.41: HB2 GLN 27 - H LYS 26 OK 32 73 - 44 - 4.0/6258=40, 10761/4.9=3 HB3 LYS 86 - H LYS 26 OK 14 99 - 13 - 9823/4.3=5, 9823/6248=2...(4) HB3 ARG 90 - H LYS 26 poor 10 87 - 11 - 2804/2.9=5, ~2794=5 HB2 GLU 30 - H LYS 26 lone 4 100 - 4 - 10797/4.9=1 HB2 PRO 58 - H LYS 26 lone 1 73 - 1 - Peak 10758 from nnoeabs.peaks (1.19, 8.39, 121.72 ppm; 4.47 A): 2 out of 2 assignments used, quality = 0.51: QG2 THR 25 + H GLN 27 OK 40 100 - 40 - 4.3/6258=32, 10772/4.6=9 QG2 VAL 77 + H GLN 27 OK 18 81 - 23 - 10772/4.6=9, 10766/4.0=6...(4) Peak 10769 from nnoeabs.peaks (1.83, 8.33, 125.44 ppm; 4.44 A): 0 out of 3 assignments used, low quality = 0.00: HB VAL 93 - H ALA 28 lone 6 87 - 7 - ~9963=5, ~2909=1 HB3 LEU 123 - H ALA 28 lone 2 92 - 2 - HB2 CYS 79 - H ALA 28 lone 1 92 - 1 - Peak 10770 from nnoeabs.peaks (1.76, 8.33, 125.44 ppm; 4.39 A): 0 out of 2 assignments used, low quality = 0.00: HB2 ARG 23 - H ALA 28 poor 9 81 - 11 - 425/4.6=5, 3.8/6305=4 HB2 LYS 39 - H ALA 28 lone 7 100 - 7 - 3.6/10771=5, ~1147=1 Peak 10771 from nnoeabs.peaks (1.67, 8.33, 125.44 ppm; 5.40 A): 0 out of 10 assignments used, low quality = 0.13: HD2 LYS 39 - H ALA 28 OK 13 65 - 21 - 3.6/10770=17...(3) HB2 LEU 69 - H ALA 28 lone 7 100 - 7 - 3.0/2176=3, 4.4/6953=2 HD2 LYS 26 - H ALA 28 poor 7 65 - 10 - 2.9/6304=4, 6266/4.6=3 HD2 LYS 36 - H ALA 28 lone 6 100 - 6 - HD3 LYS 36 - H ALA 28 lone 6 100 - 6 - HD2 LYS 31 - H ALA 28 lone 5 73 - 6 - 6266/4.6=1, ~10790=1 HD3 LYS 31 - H ALA 28 lone 4 65 - 6 - 6266/4.6=1, ~10790=1 HD2 LYS 24 - H ALA 28 lone 4 73 - 5 - 6266/4.6=2, 3.0/6304=1 HD3 LYS 24 - H ALA 28 lone 3 65 - 5 - 6266/4.6=2, 3.0/6304=1 QB ALA 88 - H ALA 28 lone 1 73 - 2 - Peak 10772 from nnoeabs.peaks (1.19, 8.33, 125.44 ppm; 5.25 A): 0 out of 2 assignments used, low quality = 0.42: QG2 THR 25 - H ALA 28 OK 24 99 - 24 - 10758/4.6=20, ~10691=3 QG2 VAL 77 - H ALA 28 OK 24 96 - 24 - 10766/4.6=12...(5) Peak 10787 from nnoeabs.peaks (1.96, 8.25, 122.97 ppm; 4.17 A): 3 out of 5 assignments used, quality = 0.86: HB2 GLU 30 + H ALA 29 OK 74 100 - 74 - 4.0/6314=26...(15) HB2 GLN 27 + H ALA 29 OK 36 65 - 56 - 4.6/6307=24...(9) HB3 LYS 86 + H ALA 29 OK 16 100 - 16 - ~10790=4, 10791/2.9=4...(4) HB3 ARG 90 - H ALA 29 lone 9 92 - 10 - 10784/2.9=3, 6318/4.6=2 HB2 PRO 58 - H ALA 29 lone 5 81 - 6 - 10791/2.9=2, 10784/2.9=2 Peak 10788 from nnoeabs.peaks (2.05, 8.25, 122.97 ppm; 4.39 A): 2 out of 8 assignments used, quality = 0.60: HB3 GLN 27 + H ALA 29 OK 50 87 - 58 - 4.6/6307=26...(9) HB VAL 118 + H ALA 29 OK 21 99 - 21 - ~10271=7, 10259/2.9=4...(6) HB2 GLN 127 - H ALA 29 poor 10 99 - 10 - 4039/3.6=5, 6298/4.6=4 HG2 PRO 117 - H ALA 29 lone 2 100 - 2 - HB2 LEU 62 - H ALA 29 lone 2 99 - 2 - HG3 PRO 113 - H ALA 29 lone 1 87 - 2 - HG3 PRO 81 - H ALA 29 lone 1 98 - 1 - HG3 PRO 117 - H ALA 29 lone 1 96 - 1 - Peak 10802 from nnoeabs.peaks (0.80, 8.23, 122.66 ppm; 4.74 A): 0 out of 4 assignments used, low quality = 0.11: QD1 LEU 122 - H LYS 31 OK 11 87 - 12 - 3899/4.6=9, 3899/6324=3 QD2 LEU 119 - H LYS 31 lone 6 100 - 6 - 7746/4.6=1, 10893/10896=1 QD2 LEU 49 - H LYS 31 lone 3 96 - 3 - QD1 LEU 53 - H LYS 31 lone 1 81 - 2 - Peak 10806 from nnoeabs.peaks (8.35, 8.14, 122.30 ppm; 3.87 A): 0 out of 1 assignment used, low quality = 0.36: H LYS 19 - H ILE 32 OK 36 98 - 37 - 3.9/820=5, 259/4.6=5...(11) Peak 10819 from nnoeabs.peaks (4.23, 8.14, 122.30 ppm; 3.00 A): 3 out of 6 assignments used, quality = 0.55: HA ALA 29 + H ILE 32 OK 30 100 - 30 - 10817/4.0=6, 10783/4.0=6...(9) HA GLU 30 + H ILE 32 OK 27 96 - 28 - 3.6/6339=13, 3.0/10830=5...(7) HA ALA 34 + H ILE 32 OK 12 92 - 13 - 10820/3.0=4, 10818/4.0=3...(4) HA SER 94 - H ILE 32 lone 10 98 - 10 - 10817/4.0=3, 10820/3.0=2...(4) HB3 SER 38 - H ILE 32 lone 5 81 - 6 - 9042/5.2=2, 9007/4.8=1...(4) HA ALA 28 - H ILE 32 lone 3 73 - 3 - Peak 10829 from nnoeabs.peaks (1.94, 8.14, 122.30 ppm; 4.74 A): 0 out of 5 assignments used, low quality = 0.34: HB2 LYS 95 - H ILE 32 OK 19 100 - 19 - 3.0/6346=6, 3.0/6346=5...(5) HB3 LYS 95 - H ILE 32 OK 18 96 - 19 - 3.0/6346=6, 3.0/6346=5...(5) HG LEU 53 - H ILE 32 lone 2 100 - 2 - 10845/5.2=1 HB3 PRO 81 - H ILE 32 lone 2 65 - 2 - 10845/5.2=1 HG2 PRO 113 - H ILE 32 lone 1 96 - 1 - Peak 10830 from nnoeabs.peaks (2.02, 8.14, 122.30 ppm; 4.94 A): 4 out of 7 assignments used, quality = 0.73: HB3 GLU 30 + H ILE 32 OK 51 100 - 51 - 4.6/6339=24...(6) HG2 ARG 90 + H ILE 32 OK 26 99 - 26 - 11845/5.2=14...(3) HB VAL 63 + H ILE 32 OK 15 100 - 14 - 2.1/6356=4, 10834/4.0=4...(4) HB2 GLN 134 + H ILE 32 OK 12 100 - 12 - 6327/4.7=4, 4.0/7942=3...(5) HB2 GLU 44 - H ILE 32 lone 5 98 - 5 - 6327/4.7=2 HG2 PRO 58 - H ILE 32 lone 4 87 - 5 - 6327/4.7=2 HB3 MET 11 - H ILE 32 lone 3 99 - 3 - Peak 10855 from nnoeabs.peaks (1.67, 8.23, 119.56 ppm; 4.12 A): 3 out of 4 assignments used, quality = 0.58: HD2 LYS 39 + H SER 33 OK 34 98 - 34 - 10833/4.4=18...(4) HD3 LYS 36 + H SER 33 OK 20 92 - 22 - 10837/4.4=6, 6.1/10896=5...(6) HD2 LYS 36 + H SER 33 OK 20 92 - 22 - 10837/4.4=6, 6.1/10896=5...(6) HB2 LEU 69 - H SER 33 lone 5 87 - 6 - 10837/4.4=3 Peak 10867 from nnoeabs.peaks (7.98, 8.43, 125.99 ppm; 4.56 A): 2 out of 3 assignments used, quality = 0.61: H SER 38 + H ALA 34 OK 44 100 - 45 - 10869/3.0=26...(4) H SER 51 + H ALA 34 OK 30 98 - 31 - 10869/3.0=11...(7) H THR 18 - H ALA 34 lone 2 73 - 3 - 10869/3.0=2 Peak 10870 from nnoeabs.peaks (1.82, 8.43, 125.99 ppm; 5.10 A): 6 out of 11 assignments used, quality = 0.94: HB ILE 32 + H ALA 34 OK 85 100 - 85 - 2.1/10811=34...(12) HB3 LYS 31 + H ALA 34 OK 25 92 - 27 - 10850/3.6=8, 6361/4.5=8...(6) HB3 LYS 26 + H ALA 34 OK 19 99 - 19 - 10884/4.6=8, 6361/4.5=3...(6) HB2 LYS 36 + H ALA 34 OK 16 100 - 17 - 10884/4.6=6, 6361/4.5=4...(5) HB3 LEU 123 + H ALA 34 OK 13 69 - 18 - 3.0/6374=5, ~11573=4...(6) HB3 LYS 24 + H ALA 34 OK 10 98 - 10 - 6361/4.5=3, 10850/3.6=2...(5) HB3 LYS 19 - H ALA 34 lone 8 92 - 8 - 6361/4.5=2, 905/10811=1 HB2 LEU 100 - H ALA 34 lone 4 92 - 5 - HB3 ARG 135 - H ALA 34 lone 3 100 - 3 - HB3 ARG 23 - H ALA 34 lone 3 87 - 3 - HB2 ARG 84 - H ALA 34 lone 1 73 - 1 - Peak 10884 from nnoeabs.peaks (1.82, 8.38, 118.19 ppm; 4.28 A): 4 out of 11 assignments used, quality = 0.69: HB3 LYS 26 + H ASP 35 OK 35 99 - 36 - 625=9, 3.0/636=7...(8) HB2 LYS 36 + H ASP 35 OK 28 96 - 29 - 3.9/6385=27, 10870/4.6=1 HB ILE 32 + H ASP 35 OK 22 98 - 23 - 10810/4.6=11...(3) HB VAL 93 + H ASP 35 OK 14 81 - 17 - 4.7/6385=6, 4.0/6379=5...(4) HB3 LYS 24 - H ASP 35 lone 7 81 - 8 - 6392/4.6=2, 2.9/647=1, 625=1 HB3 LYS 31 - H ASP 35 lone 5 65 - 7 - 6392/4.6=3, 10870/4.6=2 HB3 LYS 19 - H ASP 35 lone 3 65 - 5 - 6392/4.6=1 HB3 ARG 23 - H ASP 35 lone 3 99 - 3 - HB2 LEU 100 - H ASP 35 lone 3 100 - 3 - HB3 LEU 123 - H ASP 35 lone 2 76 - 3 - 10870/4.6=1 HB3 ARG 135 - H ASP 35 lone 1 98 - 1 - Peak 10890 from nnoeabs.peaks (1.27, 8.00, 120.91 ppm; 5.19 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10891 from nnoeabs.peaks (0.94, 8.00, 120.91 ppm; 4.86 A): 2 out of 2 assignments used, quality = 0.72: QG2 ILE 37 + H LYS 36 OK 61 98 - 63 - 4.0/6402=36...(6) QD1 LEU 119 + H LYS 36 OK 28 98 - 28 - 2.1/10893=20, 6414/4.4=6 Peak 10892 from nnoeabs.peaks (0.85, 8.00, 120.91 ppm; 4.75 A): 1 out of 4 assignments used, quality = 0.51: QG2 ILE 32 + H LYS 36 OK 51 100 - 51 - 4.0/11920=20...(9) QD2 LEU 70 - H LYS 36 lone 8 100 - 8 - 2275/11920=2...(3) QG2 VAL 57 - H LYS 36 lone 4 81 - 5 - 10898/3.9=3 QD1 LEU 98 - H LYS 36 lone 3 81 - 4 - 10898/3.9=2 Peak 10893 from nnoeabs.peaks (0.79, 8.00, 120.91 ppm; 5.02 A): 0 out of 4 assignments used, low quality = 0.12: QD2 LEU 119 - H LYS 36 OK 12 73 - 16 - 2.1/10891=12, 3795/10891=1 QD2 LEU 49 - H LYS 36 lone 4 96 - 4 - QD1 LEU 53 - H LYS 36 lone 3 100 - 3 - QD2 LEU 122 - H LYS 36 lone 3 87 - 3 - Peak 10894 from nnoeabs.peaks (1.97, 8.00, 120.91 ppm; 4.23 A): 2 out of 2 assignments used, quality = 0.62: HB ILE 37 + H LYS 36 OK 53 100 - 53 - 3.8/6402=31...(3) HB2 GLN 27 + H LYS 36 OK 20 99 - 20 - 6413/4.4=6, 4.0/6387=5...(4) Peak 10896 from nnoeabs.peaks (8.23, 8.00, 120.91 ppm; 4.51 A): 2 out of 3 assignments used, quality = 0.58: H SER 33 + H LYS 36 OK 39 92 - 43 - 4.4/10892=18...(6) H LYS 31 + H LYS 36 OK 31 87 - 36 - 4.7/11920=16, 3.0/6391=7...(7) H SER 107 - H LYS 36 lone 7 81 - 9 - 910/10892=2...(4) Peak 10904 from nnoeabs.peaks (1.17, 7.97, 121.77 ppm; 4.68 A): 3 out of 3 assignments used, quality = 0.79: QB ALA 41 + H ILE 37 OK 51 98 - 52 - 9069/4.0=21...(6) HG12 ILE 32 + H ILE 37 OK 41 92 - 45 - 10914/5.0=10...(9) QG2 THR 18 + H ILE 37 OK 26 96 - 27 - 10905/2.9=7, 232=5...(7) Peak 10926 from nnoeabs.peaks (1.40, 8.28, 116.30 ppm; 6.01 A): 0 out of 4 assignments used, low quality = 0.40: HG LEU 96 - H GLU 40 OK 40 100 - 40 - 3083=8, 3.0/3066=7...(8) HG3 LYS 31 - H GLU 40 lone 4 81 - 4 - QB ALA 16 - H GLU 40 lone 3 81 - 4 - QB ALA 109 - H GLU 40 lone 2 65 - 3 - Peak 10927 from nnoeabs.peaks (0.71, 8.28, 116.30 ppm; 5.00 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10934 from nnoeabs.peaks (4.01, 7.89, 122.33 ppm; 4.76 A): 6 out of 7 assignments used, quality = 0.93: HB2 SER 38 + H ALA 41 OK 50 100 - 50 - 1.8/9033=24, 4.6/6466=16...(4) HA ILE 37 + H ALA 41 OK 44 92 - 48 - ~9069=14, 10905/3.0=13...(7) HA ARG 135 + H ALA 41 OK 39 99 - 40 - 4309/4.6=10, 3.0/6470=9...(7) HA SER 60 + H ALA 41 OK 32 87 - 38 - 10933/3.0=16, 3.0/6474=6...(8) HA LEU 103 + H ALA 41 OK 27 100 - 27 - 3369=5, 3.0/3378=4...(8) HA LYS 95 + H ALA 41 OK 10 96 - 11 - 2960/4.6=3, 3.6/6468=3 HB3 SER 99 - H ALA 41 lone 3 57 - 6 - 3.7/6477=2, 10933/3.0=1 Peak 10940 from nnoeabs.peaks (2.06, 8.29, 119.18 ppm; 4.95 A): 4 out of 8 assignments used, quality = 0.82: HB2 LEU 62 + H LEU 43 OK 55 100 - 55 - 9127/4.4=14...(8) HB VAL 118 + H LEU 43 OK 33 100 - 33 - 2.1/11534=17...(4) HB2 GLN 127 + H LEU 43 OK 31 100 - 31 - 4047/3.9=7, 4.7/6496=6...(9) HB3 GLN 27 + H LEU 43 OK 13 92 - 14 - 4.6/6511=5, 718/3.9=3...(4) HG3 PRO 81 - H LEU 43 lone 8 96 - 8 - 9127/4.4=3, 2.3/6495=1 HG2 PRO 117 - H LEU 43 lone 5 99 - 5 - 9127/4.4=1 HG3 PRO 117 - H LEU 43 lone 4 92 - 4 - 9127/4.4=1 HG3 PRO 113 - H LEU 43 lone 4 92 - 4 - Peak 10942 from nnoeabs.peaks (1.17, 8.29, 119.18 ppm; 4.63 A): 3 out of 3 assignments used, quality = 0.69: QB ALA 41 + H LEU 43 OK 58 96 - 61 - 6484/3.9=26, 9073/3.6=17...(7) QG2 THR 18 + H LEU 43 OK 17 98 - 17 - 9073/3.6=5, 6484/3.9=4...(6) QG2 VAL 77 + H LEU 43 OK 11 81 - 14 - 9130/3.9=8, 11303/6506=2 Peak 10950 from nnoeabs.peaks (0.88, 8.54, 121.48 ppm; 5.01 A): 1 out of 3 assignments used, quality = 0.53: QD2 LEU 69 + H ALA 46 OK 53 65 - 82 - 2.1/11083=41, ~11063=27...(8) QD2 LEU 98 - H ALA 46 lone 5 99 - 5 - ~9174=2, 2213/11083=2 QD2 LEU 123 - H ALA 46 lone 2 87 - 3 - Peak 10963 from nnoeabs.peaks (0.81, 8.03, 125.41 ppm; 4.62 A): 3 out of 4 assignments used, quality = 0.57: QG2 ILE 80 + H ALA 52 OK 40 100 - 40 - ~11167=7, 2451/2.9=6...(12) QD1 LEU 70 + H ALA 52 OK 17 87 - 20 - ~11918=9, 11102/3.6=5, ~10964=2 QG2 ILE 129 + H ALA 52 OK 13 65 - 21 - ~9238=4, 2.1/4135=3...(10) QD1 LEU 122 - H ALA 52 lone 7 87 - 8 - 11613/11602=4, ~6667=1 Peak 10968 from nnoeabs.peaks (1.41, 8.01, 121.40 ppm; 5.06 A): 0 out of 2 assignments used, low quality = 0.00: HG LEU 96 - H VAL 57 lone 3 73 - 4 - 11363/6698=2 QB ALA 16 - H VAL 57 lone 2 100 - 2 - Peak 10969 from nnoeabs.peaks (1.87, 8.01, 121.40 ppm; 4.84 A): 0 out of 2 assignments used, low quality = 0.19: HB3 LEU 119 - H VAL 57 OK 19 98 - 19 - 3.0/6707=9, 3779/4.1=5, ~1796=4 HB3 LEU 123 - H VAL 57 lone 2 100 - 2 - Peak 10975 from nnoeabs.peaks (2.42, 8.66, 113.17 ppm; 4.29 A): 2 out of 5 assignments used, quality = 0.62: HB3 PRO 58 + H SER 60 OK 46 73 - 63 - 2.3/9338=24, 4.3/6736=23...(7) HG3 GLN 61 + H SER 60 OK 29 87 - 34 - 4.5/6745=23, 1960/6746=7...(5) HG3 GLU 97 - H SER 60 lone 3 100 - 2 - HG3 GLU 128 - H SER 60 lone 2 99 - 2 - HG2 GLN 101 - H SER 60 lone 1 96 - 1 - Peak 10978 from nnoeabs.peaks (2.03, 8.66, 113.17 ppm; 4.15 A): 4 out of 9 assignments used, quality = 0.68: HG2 PRO 58 + H SER 60 OK 53 96 - 56 - 2.3/10975=19...(7) HG3 ARG 135 + H SER 60 OK 13 99 - 13 - 10976/4.0=3, 10976/4.0=3...(4) HB2 GLU 44 + H SER 60 OK 12 81 - 15 - 1902/2.8=3, 1401/4.0=3...(6) HB3 GLU 91 + H SER 60 OK 11 99 - 11 - 4.6/11314=7, 10976/4.0=1 HB VAL 63 - H SER 60 poor 7 65 - 11 - 1902/2.8=9, 6712/4.6=1 HG2 ARG 90 - H SER 60 lone 5 73 - 6 - 6712/4.6=2, 1835/9338=1...(4) HB3 GLU 40 - H SER 60 lone 3 92 - 4 - 10976/4.0=1, 10976/4.0=1 HB2 GLN 134 - H SER 60 lone 2 57 - 3 - HB3 MET 11 - H SER 60 lone 2 73 - 2 - Peak 10979 from nnoeabs.peaks (1.96, 8.66, 113.17 ppm; 3.96 A): 0 out of 3 assignments used, low quality = 0.00: HB ILE 37 - H SER 60 lone 6 98 - 6 - 10981/4.6=5 HB2 GLN 27 - H SER 60 lone 4 100 - 4 - 10981/4.6=3 HB2 GLU 30 - H SER 60 lone 1 65 - 2 - Peak 10981 from nnoeabs.peaks (1.97, 7.42, 122.18 ppm; 4.97 A): 0 out of 2 assignments used, low quality = 0.00: HB ILE 37 - H GLN 61 poor 9 92 - 10 - 10979/4.6=8 HB2 GLN 27 - H GLN 61 lone 6 73 - 9 - 10979/4.6=6, 10766/11148=1 Peak 10982 from nnoeabs.peaks (0.91, 7.42, 122.18 ppm; 5.60 A): 3 out of 6 assignments used, quality = 0.82: QG2 VAL 63 + H GLN 61 OK 56 96 - 59 - 3.7/6802=30, 2.1/9405=15...(10) QD1 LEU 62 + H GLN 61 OK 52 81 - 64 - 4.6/6783=35...(10) QD1 LEU 49 + H GLN 61 OK 14 87 - 16 - 6796/3.9=6, 1587/4.6=3 QG1 VAL 20 - H GLN 61 lone 8 100 - 8 - ~9379=5 QD2 LEU 48 - H GLN 61 lone 7 99 - 7 - 6796/3.9=1, 1520/11140=1 QG1 VAL 118 - H GLN 61 lone 5 81 - 6 - 9379/2.8=2 Peak 10983 from nnoeabs.peaks (1.65, 7.42, 122.18 ppm; 6.25 A): 2 out of 16 assignments used, quality = 0.66: HG LEU 62 + H GLN 61 OK 59 92 - 64 - 4.8/6783=38...(9) HB2 LEU 123 + H GLN 61 OK 17 98 - 18 - 6794/3.9=8, ~9379=3...(4) HB2 LEU 98 - H GLN 61 lone 8 100 - 8 - 11169/9749=1, 6794/3.9=1 HD3 LYS 19 - H GLN 61 lone 7 96 - 7 - 6794/3.9=2, 9311/9298=1 HD2 LYS 19 - H GLN 61 lone 7 96 - 7 - 6794/3.9=2, 9311/9298=1 HD3 LYS 86 - H GLN 61 lone 6 87 - 6 - 11169/9749=2, 11285/11148=2 HD2 LYS 86 - H GLN 61 lone 6 87 - 6 - 11169/9749=2, 11285/11148=2 HD2 LYS 95 - H GLN 61 lone 5 100 - 5 - HD3 LYS 24 - H GLN 61 lone 5 81 - 6 - 5.4/6749=3 HD3 LYS 31 - H GLN 61 lone 4 81 - 5 - 5.2/6754=1 HD2 LYS 24 - H GLN 61 lone 4 73 - 6 - 5.4/6749=3 HD2 LYS 31 - H GLN 61 lone 4 73 - 5 - 5.2/6754=1 HD3 LYS 95 - H GLN 61 lone 3 87 - 3 - HD3 LYS 26 - H GLN 61 lone 3 92 - 3 - HD2 LYS 26 - H GLN 61 lone 2 81 - 3 - QB ALA 88 - H GLN 61 lone 2 73 - 2 - Peak 10984 from nnoeabs.peaks (3.93, 7.42, 122.18 ppm; 6.69 A): 0 out of 5 assignments used, low quality = 0.00: HD3 PRO 113 - H GLN 61 poor 7 65 - 11 - 3.0/6757=4, ~1917=3, 3580/4.5=1 HA2 GLY 111 - H GLN 61 lone 3 98 - 3 - HB2 SER 107 - H GLN 61 lone 3 87 - 3 - HA3 GLY 14 - H GLN 61 lone 2 65 - 3 - HA2 GLY 14 - H GLN 61 lone 2 57 - 3 - Peak 10993 from nnoeabs.peaks (0.80, 7.43, 120.60 ppm; 4.54 A): 3 out of 4 assignments used, quality = 0.55: QD2 LEU 49 + H LEU 62 OK 43 92 - 47 - 10994/2.9=22...(5) QD2 LEU 119 + H LEU 62 OK 11 100 - 11 - 10994/2.9=6, 10992/4.8=3 QD1 LEU 53 + H LEU 62 OK 11 73 - 15 - 10992/4.8=7, 10994/2.9=7 QD1 LEU 122 - H LEU 62 lone 9 92 - 9 - 10994/2.9=2, 11925/3.9=2...(4) Peak 11022 from nnoeabs.peaks (3.95, 7.96, 120.19 ppm; 3.24 A): 0 out of 4 assignments used, low quality = 0.00: HB3 SER 107 - H ASP 64 lone 2 57 - 4 - 11853/4.4=2 HB2 SER 51 - H ASP 64 lone 2 73 - 3 - ~1614=1 HD3 PRO 117 - H ASP 64 lone 1 99 - 1 - HA3 GLY 111 - H ASP 64 lone 0 92 - 0 - Peak 11032 from nnoeabs.peaks (0.61, 8.90, 110.50 ppm; 4.99 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11037 from nnoeabs.peaks (0.61, 8.65, 120.06 ppm; 4.43 A): 1 out of 1 assignment used, quality = 0.45: QD1 LEU 100 + H HIS 67 OK 45 73 - 61 - 2.1/9461=21...(10) Peak 11043 from nnoeabs.peaks (8.11, 6.86, 112.26 ppm; 5.59 A): 0 out of 2 assignments used, low quality = 0.15: H PHE 87 - HE21 GLN 68 OK 15 99 - 15 - 4.3/6896=11, 7170/6.7=2 H ASN 121 - HE21 GLN 68 lone 2 81 - 2 - Peak 11044 from nnoeabs.peaks (8.13, 7.76, 112.26 ppm; 6.80 A): 0 out of 3 assignments used, low quality = 0.31: H ASP 71 - HE22 GLN 68 OK 18 65 - 27 - 2127/5.2=24 H GLU 91 - HE22 GLN 68 OK 16 98 - 16 - 7241/3.5=4, 4.7/6908=4...(4) H ASN 121 - HE22 GLN 68 poor 8 81 - 10 - 4.1/7660=4, 3733/3727=2 Peak 11056 from nnoeabs.peaks (0.78, 8.30, 120.25 ppm; 4.22 A): 5 out of 6 assignments used, quality = 0.67: QD1 ILE 37 + H LEU 69 OK 33 100 - 33 - 10918/3.7=10...(6) QD1 ILE 32 + H LEU 69 OK 21 98 - 21 - 11061/4.9=5, 11064/4.3=4...(5) QD1 LEU 96 + H LEU 69 OK 16 73 - 22 - 11064/4.3=9, 11067/5.2=5...(5) QG1 VAL 63 + H LEU 69 OK 15 98 - 15 - 11019/3.6=4...(4) QD1 LEU 103 + H LEU 69 OK 13 99 - 13 - 11061/4.9=3...(5) QD2 LEU 122 - H LEU 69 lone 5 81 - 6 - 11059/3.7=1, ~11057=1 Peak 11068 from nnoeabs.peaks (1.23, 8.30, 120.25 ppm; 6.02 A): 1 out of 1 assignment used, quality = 0.75: QG2 THR 65 + H LEU 69 OK 75 100 - 75 - 9443/4.4=37, 9475/4.0=30...(14) Peak 11094 from nnoeabs.peaks (0.61, 8.46, 121.15 ppm; 4.20 A): 0 out of 1 assignment used, low quality = 0.41: QD1 LEU 100 - H LEU 70 OK 41 81 - 50 - 9487/4.3=28...(6) Peak 11095 from nnoeabs.peaks (0.71, 8.46, 121.15 ppm; 4.25 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11100 from nnoeabs.peaks (8.65, 8.46, 121.15 ppm; 4.77 A): 1 out of 2 assignments used, quality = 0.48: H HIS 67 + H LEU 70 OK 48 65 - 73 - 2.9/2099=31, 4.0/6894=23...(11) H HIS 8 - H LEU 70 lone 1 57 - 2 - Peak 11121 from nnoeabs.peaks (0.84, 8.85, 116.83 ppm; 4.86 A): 0 out of 3 assignments used, low quality = 0.35: QG1 VAL 133 - H CYS 73 OK 25 65 - 38 - 11123/3.8=26...(5) QG2 ILE 32 - H CYS 73 OK 13 65 - 21 - ~9569=5, 10828/2.9=5...(6) QD2 LEU 22 - H CYS 73 lone 4 96 - 4 - 11123/3.8=3 Peak 11123 from nnoeabs.peaks (0.84, 8.41, 115.94 ppm; 4.51 A): 0 out of 2 assignments used, low quality = 0.42: QG1 VAL 133 - H SER 74 OK 42 92 - 46 - ~9592=15, 2.1/9577=15...(6) QD2 LEU 22 - H SER 74 lone 4 100 - 4 - 11121/3.8=2, 4254/9577=1 Peak 11135 from nnoeabs.peaks (0.93, 8.04, 121.95 ppm; 4.90 A): 3 out of 5 assignments used, quality = 0.73: QG2 ILE 37 + H TYR 76 OK 57 98 - 58 - 9019/4.6=30...(8) QD1 LEU 48 + H TYR 76 OK 27 65 - 41 - 11133/3.0=15, 2.1/1520=7...(7) QD1 LEU 119 + H TYR 76 OK 13 65 - 20 - ~3789=4, ~3781=4...(6) QD1 LEU 123 - H TYR 76 poor 10 92 - 11 - 11133/3.0=3, 4.7/7755=2 QG2 VAL 112 - H TYR 76 lone 3 65 - 4 - 11133/3.0=2 Peak 11139 from nnoeabs.peaks (7.32, 8.04, 121.95 ppm; 4.74 A): 0 out of 2 assignments used, low quality = 0.23: QD PHE 87 - H TYR 76 OK 23 96 - 24 - 11142/3.8=17, 11143/3.8=6 H ARG 135 - H TYR 76 poor 9 65 - 14 - 11143/3.8=6, 11141/3.0=4 Peak 11140 from nnoeabs.peaks (7.43, 8.04, 121.95 ppm; 4.80 A): 0 out of 3 assignments used, low quality = 0.00: H GLN 61 - H TYR 76 lone 7 92 - 7 - 4.6/7026=2, 4.6/7026=2 HE22 GLN 104 - H TYR 76 lone 6 99 - 6 - 9749/9751=2, 7511/11930=1 H LEU 62 - H TYR 76 lone 3 73 - 4 - ~10999=3 Peak 11146 from nnoeabs.peaks (6.85, 7.54, 116.56 ppm; 5.63 A): 0 out of 1 assignment used, low quality = 0.11: HE21 GLN 27 - H VAL 77 OK 11 98 - 12 - ~2382=4, ~7032=3...(4) Peak 11147 from nnoeabs.peaks (7.80, 7.54, 116.56 ppm; 4.73 A): 0 out of 1 assignment used, low quality = 0.00: HD22 ASN 59 - H VAL 77 lone 2 81 - 3 - Peak 11162 from nnoeabs.peaks (4.32, 8.04, 116.97 ppm; 4.55 A): 2 out of 3 assignments used, quality = 0.71: HA TYR 76 + H CYS 79 OK 47 87 - 54 - 7048/4.6=12, 3.6/7035=12...(9) HA2 GLY 75 + H CYS 79 OK 46 100 - 47 - 2356=13, 1.8/2360=8...(8) HA ASP 131 - H CYS 79 lone 4 57 - 8 - 3.0/11646=1, 11817/3.9=1 Peak 11196 from nnoeabs.peaks (8.87, 9.00, 120.08 ppm; 4.23 A): 1 out of 1 assignment used, quality = 0.72: H THR 83 + H ARG 84 OK 72 77 - 93 - 4.7=75, 4.0/2516=29...(6) Peak 11197 from nnoeabs.peaks (8.13, 9.00, 120.08 ppm; 5.85 A): 0 out of 4 assignments used, low quality = 0.00: H ASP 71 - H ARG 84 lone 4 89 - 5 - 9491/11229=2 H ILE 32 - H ARG 84 lone 4 70 - 5 - 4.6/7091=2 H GLU 91 - H ARG 84 lone 3 77 - 4 - H ALA 15 - H ARG 84 lone 1 54 - 2 - Peak 11198 from nnoeabs.peaks (2.08, 9.00, 120.08 ppm; 5.00 A): 0 out of 6 assignments used, low quality = 0.00: HB3 GLU 44 - H ARG 84 lone 7 97 - 7 - 3.9/7098=5 HB2 GLU 102 - H ARG 84 lone 2 84 - 2 - HB3 LYS 39 - H ARG 84 lone 2 96 - 2 - HG3 GLN 134 - H ARG 84 lone 1 84 - 2 - HG3 PRO 58 - H ARG 84 lone 1 93 - 1 - HB2 GLU 128 - H ARG 84 lone 1 89 - 1 - Peak 11199 from nnoeabs.peaks (8.88, 8.88, 122.71 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H THR 83 + H THR 83 OK 100 100 - 100 Peak 11201 from nnoeabs.peaks (8.55, 8.88, 122.71 ppm; 4.75 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11202 from nnoeabs.peaks (8.99, 8.88, 122.71 ppm; 6.09 A): 0 out of 0 assignments used, low quality = 0.00: Reference assignment not found: H ARG 84 - H ARG 84 Peak 11203 from nnoeabs.peaks (4.60, 8.88, 122.71 ppm; 4.43 A): 1 out of 2 assignments used, quality = 1.00: HA GLN 82 + H THR 83 OK 100 100 - 100 - 3.6=100 HA VAL 57 - H THR 83 OK 19 81 - 23 - 9765/4.0=9, 11213/4.5=7...(4) Peak 11204 from nnoeabs.peaks (4.17, 8.88, 122.71 ppm; 5.60 A): 2 out of 2 assignments used, quality = 0.93: HB THR 83 + H THR 83 OK 92 92 - 100 - 4.0=100 HA LEU 53 + H THR 83 OK 14 92 - 15 - 1643/4.6=6, 2507/2.8=3...(4) Peak 11205 from nnoeabs.peaks (3.75, 8.88, 122.71 ppm; 6.80 A): 1 out of 2 assignments used, quality = 0.96: HA THR 83 + H THR 83 OK 96 96 - 100 - 2.8=100 HB2 SER 99 - H THR 83 lone 2 65 - 4 - 3210/11035=1 Peak 11221 from nnoeabs.peaks (2.44, 8.88, 122.71 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.67: HG2 GLN 82 + H THR 83 OK 67 96 - 70 - 1.8/11223=50...(3) Peak 11222 from nnoeabs.peaks (1.24, 8.88, 122.71 ppm; 5.83 A): 1 out of 3 assignments used, quality = 0.99: QG2 THR 83 + H THR 83 OK 99 99 - 100 - 3.9=100 QG2 THR 54 - H THR 83 OK 15 98 - 14 - 2508/2.8=5, 7089/4.7=3...(5) QG2 THR 65 - H THR 83 lone 1 65 - 2 - Peak 11246 from nnoeabs.peaks (2.24, 7.64, 112.44 ppm; 4.81 A): 0 out of 1 assignment used, low quality = 0.00: HB3 LEU 96 - HE22 GLN 82 lone 1 87 - 1 - Peak 11247 from nnoeabs.peaks (2.05, 7.64, 112.44 ppm; 4.65 A): 4 out of 8 assignments used, quality = 0.53: HG2 PRO 117 + HE22 GLN 82 OK 20 100 - 20 - ~11250=12, 11250/1.7=8 HG3 PRO 117 + HE22 GLN 82 OK 19 99 - 20 - 11250/1.7=10, ~11250=9 HB3 GLN 27 + HE22 GLN 82 OK 18 73 - 24 - ~11251=23 HB2 GLN 127 + HE22 GLN 82 OK 11 96 - 11 - ~11249=10 HG3 PRO 81 - HE22 GLN 82 lone 4 100 - 4 - 11250/1.7=2, 11265/7.0=1 HB2 LEU 62 - HE22 GLN 82 lone 1 96 - 1 - HG3 PRO 113 - HE22 GLN 82 lone 1 73 - 2 - HB VAL 118 - HE22 GLN 82 lone 1 96 - 1 - Peak 11248 from nnoeabs.peaks (1.95, 7.64, 112.44 ppm; 4.81 A): 0 out of 4 assignments used, low quality = 0.00: HB2 PRO 58 - HE22 GLN 82 lone 8 87 - 9 - 11264/5.9=6, 11260/7.0=2 HB3 ARG 90 - HE22 GLN 82 lone 2 96 - 2 - 11264/5.9=1 HB3 LYS 86 - HE22 GLN 82 lone 2 100 - 2 - HB2 GLU 30 - HE22 GLN 82 lone 2 100 - 2 - Peak 11249 from nnoeabs.peaks (2.23, 6.94, 112.44 ppm; 5.18 A): 0 out of 8 assignments used, low quality = 0.00: HB3 GLN 127 - HE21 GLN 82 lone 7 99 - 7 - ~11247=5 HB3 LEU 96 - HE21 GLN 82 lone 3 73 - 4 - 11246/1.7=3 HG2 GLU 91 - HE21 GLN 82 lone 1 100 - 1 - HB3 GLU 102 - HE21 GLN 82 lone 1 100 - 1 - HB3 GLU 128 - HE21 GLN 82 lone 1 98 - 1 - HG2 GLN 68 - HE21 GLN 82 lone 1 98 - 1 - HB3 GLN 104 - HE21 GLN 82 lone 1 87 - 1 - HB2 GLN 68 - HE21 GLN 82 lone 1 65 - 1 - Peak 11250 from nnoeabs.peaks (2.04, 6.94, 112.44 ppm; 4.92 A): 0 out of 6 assignments used, low quality = 0.25: HG3 PRO 117 - HE21 GLN 82 OK 15 92 - 16 - ~11247=9, 11247/1.7=7 HG2 PRO 117 - HE21 GLN 82 OK 12 73 - 16 - ~11247=8, 11247/1.7=7 HG3 PRO 81 - HE21 GLN 82 lone 3 87 - 4 - 11247/1.7=2, 11265/7.0=1 HB3 GLU 40 - HE21 GLN 82 lone 2 57 - 4 - 4349/10618=2, 4357/10621=1 HB3 GLU 55 - HE21 GLN 82 lone 1 96 - 1 - QE MET 11 - HE21 GLN 82 lone 1 92 - 1 - Peak 11251 from nnoeabs.peaks (1.97, 6.94, 112.44 ppm; 5.04 A): 0 out of 2 assignments used, low quality = 0.00: HB2 GLN 27 - HE21 GLN 82 lone 7 81 - 9 - ~11247=8 HB ILE 37 - HE21 GLN 82 lone 1 96 - 1 - Peak 11253 from nnoeabs.peaks (7.56, 7.56, 115.93 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLN 82 + H GLN 82 OK 100 100 - 100 Peak 11254 from nnoeabs.peaks (7.24, 7.56, 115.93 ppm; 6.74 A): 0 out of 1 assignment used, low quality = 0.37: HD21 ASN 85 - H GLN 82 OK 37 81 - 46 - 9796/5.1=28, 9797/4.0=19...(4) Peak 11255 from nnoeabs.peaks (4.61, 7.56, 115.93 ppm; 5.29 A): 1 out of 2 assignments used, quality = 0.81: * HA GLN 82 + H GLN 82 OK 81 81 - 100 - 3.0=100 HA HIS 3 - H GLN 82 lone 1 87 - 1 - Peak 11256 from nnoeabs.peaks (4.35, 7.56, 115.93 ppm; 5.47 A): 1 out of 4 assignments used, quality = 0.57: HA PRO 81 + H GLN 82 OK 57 57 - 100 - 3.6=100 HA ASP 47 - H GLN 82 lone 2 96 - 2 - HA CYS 125 - H GLN 82 lone 2 73 - 2 - HA GLN 134 - H GLN 82 lone 1 87 - 2 - Peak 11257 from nnoeabs.peaks (2.44, 7.56, 115.93 ppm; 4.08 A): 2 out of 2 assignments used, quality = 0.93: HG2 GLN 82 + H GLN 82 OK 84 99 - 84 - 5.1=51, 1.8/11227=36...(7) HG3 GLN 82 + H GLN 82 OK 58 81 - 72 - 5.1=51, 11210/3.0=21...(6) Peak 11258 from nnoeabs.peaks (2.25, 7.56, 115.93 ppm; 4.97 A): 1 out of 2 assignments used, quality = 1.00: * HB2 PRO 81 + H GLN 82 OK 100 100 - 100 - 4.1=100 HB VAL 105 - H GLN 82 lone 1 57 - 2 - Peak 11259 from nnoeabs.peaks (2.06, 7.56, 115.93 ppm; 4.18 A): 0 out of 7 assignments used, low quality = 0.14: HG3 PRO 58 - H GLN 82 OK 14 65 - 22 - 2.3/11260=8, ~11264=5...(5) HG3 PRO 113 - H GLN 82 lone 5 99 - 5 - 10143/11261=2, 10143/11261=1 HB2 LEU 62 - H GLN 82 lone 3 87 - 4 - 1971/3.6=2 HG2 PRO 117 - H GLN 82 lone 2 65 - 3 - HB VAL 118 - H GLN 82 lone 1 87 - 1 - HB2 GLN 127 - H GLN 82 lone 1 87 - 1 - HB3 GLN 27 - H GLN 82 lone 1 99 - 1 - Reference assignment not found: HG3 PRO 81 - H GLN 82 Peak 11260 from nnoeabs.peaks (1.95, 7.56, 115.93 ppm; 4.88 A): 2 out of 6 assignments used, quality = 1.00: * HB3 PRO 81 + H GLN 82 OK 100 100 - 100 - 4.1=100 HB2 PRO 58 + H GLN 82 OK 45 98 - 46 - 2.3/11259=23...(7) HB3 ARG 90 - H GLN 82 lone 5 92 - 6 - 11264/3.0=2, 11890/4.1=1 HB3 LYS 86 - H GLN 82 lone 5 65 - 8 - 11264/3.0=1 HB3 LYS 95 - H GLN 82 lone 4 87 - 5 - 11350/9742=2 HB2 LYS 95 - H GLN 82 lone 3 65 - 4 - 11350/9742=1 Peak 11261 from nnoeabs.peaks (0.82, 7.56, 115.93 ppm; 4.22 A): 3 out of 3 assignments used, quality = 0.79: QG2 ILE 129 + H GLN 82 OK 56 96 - 58 - 9714/4.1=17...(7) HG13 ILE 80 + H GLN 82 OK 48 99 - 48 - 3.2/9742=18, 11263/4.0=9...(9) QD1 LEU 70 + H GLN 82 OK 11 81 - 13 - 11263/4.0=4, 11262/5.1=2...(6) Peak 11276 from nnoeabs.peaks (2.09, 7.27, 117.40 ppm; 5.31 A): 2 out of 7 assignments used, quality = 0.72: HB3 GLN 82 + H ASN 85 OK 66 96 - 69 - 1.8/11235=44...(4) HB2 GLU 102 + H ASN 85 OK 16 87 - 19 - 9805/5.3=8, 9798/5.3=5 HB3 LYS 39 - H ASN 85 poor 8 65 - 13 - 9805/5.3=6, 9798/5.3=5 HB2 GLU 128 - H ASN 85 lone 4 81 - 4 - 9805/5.3=2 HG3 GLN 134 - H ASN 85 lone 3 87 - 4 - HB VAL 57 - H ASN 85 lone 3 99 - 3 - 11217/11235=2 HB2 GLN 61 - H ASN 85 lone 1 57 - 2 - Peak 11277 from nnoeabs.peaks (2.20, 7.27, 117.40 ppm; 5.33 A): 1 out of 2 assignments used, quality = 0.74: HB2 GLN 82 + H ASN 85 OK 74 99 - 75 - 11235=46, 11229/3.7=29...(4) HB2 GLN 101 - H ASN 85 lone 7 99 - 8 - 11218/11276=3...(3) Peak 11279 from nnoeabs.peaks (1.90, 7.25, 114.49 ppm; 4.73 A): 2 out of 6 assignments used, quality = 0.64: HB3 ARG 84 + HD21 ASN 85 OK 54 100 - 54 - 11863=21, 2550/5.3=14...(9) HB2 ARG 135 + HD21 ASN 85 OK 21 99 - 22 - 1.8/9799=16, 7104/5.3=5 HB2 PRO 113 - HD21 ASN 85 lone 7 87 - 8 - ~9789=4, 9806/1.7=2 HB2 GLU 40 - HD21 ASN 85 lone 3 92 - 3 - 4322/9799=1 HB2 ARG 90 - HD21 ASN 85 lone 1 65 - 2 - HB3 LEU 123 - HD21 ASN 85 lone 1 66 - 2 - Peak 11299 from nnoeabs.peaks (7.36, 8.56, 117.97 ppm; 5.61 A): 1 out of 1 assignment used, quality = 0.69: HE ARG 90 + H ARG 90 OK 69 73 - 94 - 7.3=46, 4.0/2814=27...(12) Peak 11310 from nnoeabs.peaks (3.26, 8.13, 119.27 ppm; 5.38 A): 0 out of 1 assignment used, low quality = 0.00: HB3 HIS 10 - H GLU 91 poor 10 81 - 12 - 1.8/7236=7, 9930/4.1=3 Peak 11314 from nnoeabs.peaks (8.67, 7.82, 123.43 ppm; 5.46 A): 0 out of 1 assignment used, low quality = 0.00: H SER 60 - H ALA 92 lone 3 65 - 4 - 10978/4.6=2 Peak 11342 from nnoeabs.peaks (1.84, 7.71, 121.43 ppm; 4.81 A): 0 out of 2 assignments used, low quality = 0.15: HB3 LEU 123 - H LYS 95 OK 15 95 - 15 - 1.8/7303=4, ~2962=2...(7) HB2 CYS 79 - H LYS 95 lone 1 100 - 1 - Peak 11355 from nnoeabs.peaks (0.85, 8.27, 124.81 ppm; 4.43 A): 3 out of 4 assignments used, quality = 0.87: QD2 LEU 70 + H LEU 96 OK 68 100 - 68 - 9496/3.8=27...(9) QG2 ILE 32 + H LEU 96 OK 37 100 - 37 - 11824/3.8=9, 3.0/7329=9...(8) QD1 LEU 98 + H LEU 96 OK 34 81 - 43 - 4.8/7331=20...(8) QG2 VAL 57 - H LEU 96 lone 4 81 - 5 - 11343/3.6=1 Peak 11356 from nnoeabs.peaks (7.84, 8.50, 119.00 ppm; 5.06 A): 0 out of 1 assignment used, low quality = 0.33: H GLU 102 - H GLU 97 OK 33 87 - 38 - ~7405=8, 3.8/7340=7...(10) Peak 11367 from nnoeabs.peaks (0.84, 8.50, 119.00 ppm; 3.81 A): 2 out of 3 assignments used, quality = 0.45: QG1 VAL 133 + H GLU 97 OK 38 65 - 58 - 10002/4.0=16...(13) QG2 ILE 32 + H GLU 97 OK 12 65 - 18 - 3.0/7343=6, 11824/4.4=4...(5) QD2 LEU 22 - H GLU 97 lone 7 96 - 7 - 10002/4.0=2, 10003/4.0=1 Peak 11382 from nnoeabs.peaks (0.80, 8.29, 116.35 ppm; 4.22 A): 4 out of 4 assignments used, quality = 0.64: QD2 LEU 49 + H SER 99 OK 36 100 - 36 - 11700/3.4=19...(5) QD1 LEU 122 + H SER 99 OK 22 65 - 34 - 11381/2.9=11...(6) QD1 LEU 53 + H SER 99 OK 17 96 - 18 - 11724/3.7=5...(6) QD2 LEU 119 + H SER 99 OK 13 98 - 13 - 11381/2.9=4, 10026/3.4=3...(4) Peak 11383 from nnoeabs.peaks (1.38, 8.29, 116.35 ppm; 4.89 A): 3 out of 15 assignments used, quality = 0.94: HB3 LEU 100 + H SER 99 OK 77 92 - 84 - 4.6/7386=22, ~7401=18...(17) HB2 LEU 96 + H SER 99 OK 62 96 - 64 - 4.4/7373=32, 3.0/3062=28...(9) HG3 LYS 95 + H SER 99 OK 29 100 - 29 - 3.9/7371=15, 2.9/7377=4...(7) HG2 LYS 95 - H SER 99 OK 28 98 - 29 - 3.9/7371=15, 2.9/7377=4...(6) HB2 LEU 42 - H SER 99 OK 24 87 - 28 - 3.1/1338=5, 1.8/1314=4...(8) HG2 LYS 36 - H SER 99 OK 11 96 - 11 - 10900/7381=3, 7398/3.4=2...(4) HG3 LYS 26 - H SER 99 lone 10 98 - 10 - 7398/3.4=2, ~7397=2, ~10023=1 HG2 LYS 24 - H SER 99 lone 6 92 - 7 - 7398/3.4=2, ~7397=1 QB ALA 110 - H SER 99 lone 6 99 - 6 - 11488/11382=1 QB ALA 108 - H SER 99 lone 5 100 - 5 - 7398/3.4=1 QB ALA 28 - H SER 99 lone 4 100 - 4 - QB ALA 29 - H SER 99 lone 4 96 - 4 - HG3 LYS 31 - H SER 99 lone 4 87 - 4 - QB ALA 109 - H SER 99 lone 3 96 - 3 - QB ALA 15 - H SER 99 lone 3 99 - 3 - Peak 11397 from nnoeabs.peaks (0.89, 7.68, 119.11 ppm; 4.51 A): 2 out of 4 assignments used, quality = 0.83: QD2 LEU 123 + H GLN 101 OK 66 100 - 66 - 11400/2.9=20...(13) QD2 LEU 98 + H GLN 101 OK 50 65 - 76 - 4.0/3155=26...(15) QG2 VAL 20 - H GLN 101 lone 4 87 - 4 - 11400/2.9=2, 10067/3.1=2 QD1 LEU 22 - H GLN 101 lone 1 65 - 2 - Peak 11398 from nnoeabs.peaks (0.78, 7.68, 119.11 ppm; 4.45 A): 5 out of 5 assignments used, quality = 0.84: QD1 LEU 103 + H GLN 101 OK 43 100 - 43 - ~10066=13, 4.8/7464=12...(7) QG1 VAL 63 + H GLN 101 OK 36 100 - 36 - 11011/4.0=18...(6) QD2 LEU 122 + H GLN 101 OK 35 96 - 36 - 10068/3.1=8, ~10026=8...(10) QD1 ILE 32 + H GLN 101 OK 22 87 - 25 - 3.2/7411=4, 928/2.9=3...(14) QD1 ILE 37 + H GLN 101 OK 12 96 - 12 - 11387/3264=3...(5) Peak 11410 from nnoeabs.peaks (1.80, 7.85, 118.36 ppm; 4.47 A): 2 out of 4 assignments used, quality = 0.95: HB3 LEU 103 + H GLU 102 OK 86 98 - 88 - 1.8/10066=33...(18) HB3 LEU 122 + H GLU 102 OK 67 99 - 68 - 7474/3.0=12, 3.0/7454=9...(25) HB2 LYS 86 - H GLU 102 OK 14 100 - 14 - 7474/3.0=4, 11407/3313=3...(5) HB3 LEU 123 - H GLU 102 poor 7 35 - 19 - ~11397=8, 11399/3.5=8 Peak 11417 from nnoeabs.peaks (1.01, 8.08, 120.56 ppm; 4.60 A): 2 out of 3 assignments used, quality = 0.95: QG2 VAL 118 + H LEU 103 OK 88 100 - 89 - 2.1/11705=33...(14) QG2 VAL 105 + H LEU 103 OK 53 87 - 62 - 10086/3.6=17...(10) QD1 LEU 69 - H LEU 103 OK 12 100 - 12 - 3746/11705=2...(4) Peak 11418 from nnoeabs.peaks (0.70, 8.08, 120.56 ppm; 4.43 A): 0 out of 1 assignment used, low quality = 0.00: QD1 LEU 43 - H LEU 103 lone 5 96 - 6 - 11807/11417=5 Peak 11429 from nnoeabs.peaks (8.58, 6.96, 111.83 ppm; 5.65 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11430 from nnoeabs.peaks (8.57, 7.43, 111.83 ppm; 5.62 A): 0 out of 2 assignments used, low quality = 0.27: H ARG 90 - HE22 GLN 104 OK 18 65 - 27 - 3.6/7510=13...(4) H GLY 114 - HE22 GLN 104 OK 11 81 - 14 - 9408/9405=6, 4.6/7509=2...(5) Peak 11444 from nnoeabs.peaks (0.91, 7.90, 117.67 ppm; 5.68 A): 5 out of 5 assignments used, quality = 0.94: QG2 VAL 63 + H GLN 104 OK 68 100 - 68 - 11811=20, 11010/3.9=18...(10) QD1 LEU 49 + H GLN 104 OK 46 99 - 46 - ~11433=12, 2.1/7487=8...(11) QD1 LEU 62 + H GLN 104 OK 41 98 - 43 - 11442/5.0=11...(8) QG1 VAL 20 + H GLN 104 OK 22 98 - 23 - 10712/4.6=7...(6) QD2 LEU 48 + H GLN 104 OK 20 99 - 20 - 9205/4.6=2, 9205/7487=2...(9) Peak 11450 from nnoeabs.peaks (8.09, 7.90, 116.86 ppm; 4.82 A): 3 out of 4 assignments used, quality = 0.62: H LEU 103 + H SER 106 OK 44 65 - 67 - 11454/3.6=15...(14) H ALA 108 + H SER 106 OK 23 57 - 40 - 4.3/7543=28, 4.7/7541=5...(5) H ALA 109 + H SER 106 OK 13 73 - 17 - ~11794=8, 11454/3.6=5 HD22 ASN 85 - H SER 106 lone 6 65 - 9 - 11454/3.6=2, 7519/4.7=2 Peak 11469 from nnoeabs.peaks (0.78, 7.90, 116.86 ppm; 5.34 A): 5 out of 5 assignments used, quality = 0.93: QD1 LEU 103 + H SER 106 OK 79 100 - 79 - ~11468=23, 3403=17...(18) QG1 VAL 63 + H SER 106 OK 47 100 - 47 - 2.1/11811=15...(11) QD2 LEU 122 + H SER 106 OK 16 96 - 17 - 3.1/3387=2, 7476/7478=2...(9) QD1 ILE 32 + H SER 106 OK 16 87 - 19 - 934/4.6=6, 10096/4.0=5 QD1 ILE 37 + H SER 106 OK 14 96 - 14 - 10096/4.0=2, 3367/3369=2...(6) Peak 11474 from nnoeabs.peaks (4.43, 8.08, 124.88 ppm; 4.22 A): 0 out of 2 assignments used, low quality = 0.20: HA ASN 120 - H ALA 108 OK 20 73 - 28 - 3.6/7692=5, 3805=5...(7) HA THR 54 - H ALA 108 lone 1 65 - 2 - Peak 11476 from nnoeabs.peaks (0.98, 8.23, 117.55 ppm; 4.65 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11477 from nnoeabs.peaks (3.92, 8.30, 123.19 ppm; 4.76 A): 0 out of 4 assignments used, low quality = 0.00: HA3 GLY 14 - H ALA 110 lone 10 100 - 10 - 10660/2.9=3, 4.9/7573=2...(4) HA2 GLY 14 - H ALA 110 lone 10 99 - 10 - 10660/2.9=3, 4.9/7573=2...(4) HB2 SER 107 - H ALA 110 lone 6 99 - 6 - 3508/4.7=4 HB2 SER 33 - H ALA 110 lone 1 65 - 1 - Peak 11478 from nnoeabs.peaks (0.93, 8.30, 123.19 ppm; 5.94 A): 3 out of 4 assignments used, quality = 0.77: QG2 VAL 112 + H ALA 110 OK 54 98 - 55 - 4.1/7583=15...(9) QD1 LEU 48 + H ALA 110 OK 44 98 - 45 - 1535=7, 3.1/1511=6...(10) QD1 LEU 123 + H ALA 110 OK 11 100 - 11 - 7588/7583=1 QG2 ILE 37 - H ALA 110 lone 4 65 - 6 - 9069/9061=2 Peak 11482 from nnoeabs.peaks (6.59, 8.08, 124.88 ppm; 4.88 A): 0 out of 1 assignment used, low quality = 0.38: HD21 ASN 59 - H ALA 108 OK 38 100 - 38 - 11475/3.6=24, ~9346=5...(7) Peak 11483 from nnoeabs.peaks (1.14, 8.08, 124.88 ppm; 5.66 A): 3 out of 5 assignments used, quality = 0.54: QG2 THR 115 + H ALA 108 OK 34 98 - 35 - 11470/4.7=12...(8) HB3 LEU 62 + H ALA 108 OK 17 81 - 21 - 11470/4.7=10...(4) QG1 VAL 132 + H ALA 108 OK 16 81 - 19 - 10547/11482=9...(5) QG2 VAL 132 - H ALA 108 lone 9 100 - 9 - 11470/4.7=3...(3) HG2 LYS 39 - H ALA 108 lone 6 98 - 6 - 11470/4.7=3 Peak 11484 from nnoeabs.peaks (0.92, 8.08, 124.88 ppm; 4.93 A): 4 out of 6 assignments used, quality = 0.72: QG2 VAL 112 + H ALA 108 OK 46 92 - 50 - 2.1/11485=28...(6) QD1 LEU 62 + H ALA 108 OK 22 92 - 24 - 11853/4.7=10...(5) QD1 LEU 49 + H ALA 108 OK 19 87 - 22 - 2.1/11486=5, 10118/4.6=4...(6) QG2 VAL 63 + H ALA 108 OK 19 73 - 26 - 11853/4.7=11...(6) QD1 LEU 48 - H ALA 108 lone 5 92 - 5 - 10118/4.6=3 QD1 LEU 123 - H ALA 108 lone 3 65 - 5 - Peak 11485 from nnoeabs.peaks (0.97, 8.08, 124.88 ppm; 5.07 A): 0 out of 2 assignments used, low quality = 0.21: QG1 VAL 112 - H ALA 108 OK 21 73 - 28 - 2.1/11484=16, ~11496=8...(4) QD2 LEU 53 - H ALA 108 lone 6 65 - 9 - 2.1/11486=5, ~11488=2 Peak 11486 from nnoeabs.peaks (0.79, 8.08, 124.88 ppm; 4.75 A): 5 out of 6 assignments used, quality = 0.68: QD1 LEU 103 + H ALA 108 OK 39 87 - 45 - 11424/11482=9...(9) QD2 LEU 122 + H ALA 108 OK 19 100 - 19 - 10337/2.9=5, 5.1/7720=2...(5) QG1 VAL 63 + H ALA 108 OK 17 92 - 18 - 2.1/11484=6, 10106/4.7=4...(5) QD1 LEU 53 + H ALA 108 OK 13 87 - 14 - 2.1/11485=8, 11488/2.9=3 QD2 LEU 49 + H ALA 108 OK 13 65 - 19 - 2.1/11484=6, 11488/2.9=4...(6) QD1 ILE 37 - H ALA 108 lone 4 65 - 6 - 10106/4.7=1 Peak 11501 from nnoeabs.peaks (1.13, 7.93, 120.44 ppm; 5.00 A): 3 out of 4 assignments used, quality = 0.73: QG2 THR 115 + H VAL 112 OK 54 100 - 55 - 10194/4.0=31...(3) QG1 VAL 132 + H VAL 112 OK 24 98 - 24 - 11497/3.7=9, 11500/4.1=9 QG2 VAL 132 + H VAL 112 OK 22 92 - 24 - 11500/4.1=9, 11497/3.7=9 HG2 LYS 39 - H VAL 112 lone 8 100 - 8 - 11497/3.7=2, 11500/4.1=2 Peak 11513 from nnoeabs.peaks (8.45, 8.57, 108.97 ppm; 4.05 A): 0 out of 2 assignments used, low quality = 0.44: H ASN 116 - H GLY 114 OK 44 100 - 44 - 7608/4.6=22, 11514=21 H ALA 12 - H GLY 114 lone 5 98 - 5 - 7608/4.6=3, 4.4/7594=1 Peak 11514 from nnoeabs.peaks (8.56, 8.45, 123.09 ppm; 4.78 A): 1 out of 2 assignments used, quality = 0.51: H GLY 114 + H ASN 116 OK 51 87 - 58 - 11513=34, 4.6/7608=30 H ARG 90 - H ASN 116 lone 6 96 - 6 - 7602/4.6=3, 7206/4.6=1 Peak 11518 from nnoeabs.peaks (0.98, 8.57, 108.97 ppm; 3.92 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11524 from nnoeabs.peaks (1.87, 8.45, 123.09 ppm; 6.09 A): 2 out of 2 assignments used, quality = 0.65: HB3 LEU 119 + H ASN 116 OK 61 92 - 66 - 3.0/11559=36...(4) HB3 LEU 123 + H ASN 116 OK 10 100 - 10 - 3800/11559=5, 11526/4.0=3 Peak 11562 from nnoeabs.peaks (4.36, 8.08, 117.66 ppm; 3.97 A): 1 out of 4 assignments used, quality = 0.47: HA PRO 117 + H ASN 120 OK 47 96 - 49 - 3.6/7660=12...(7) HA PRO 113 - H ASN 120 poor 7 65 - 11 - 11734/5.3=3, 4.9/7669=2...(6) HA CYS 125 - H ASN 120 lone 1 73 - 1 - HA GLN 134 - H ASN 120 lone 0 57 - 1 - Peak 11570 from nnoeabs.peaks (1.56, 8.26, 119.72 ppm; 3.82 A): 3 out of 8 assignments used, quality = 0.97: HG LEU 123 + H LEU 123 OK 89 98 - 91 - 4.6=57, 2.1/3952=23...(12) HG LEU 123 + H GLU 30 OK 48 82 - 58 - 3936=16, 2.1/3952=13...(8) HG13 ILE 37 + H LEU 123 OK 39 98 - 40 - 3912/2.9=7, 3923/3.9=7...(10) HG LEU 103 - H LEU 123 OK 28 73 - 38 - ~11714=11, 2.1/7747=7...(8) HG LEU 49 - H LEU 123 OK 16 73 - 22 - 3923/3.9=4, 3912/2.9=4...(6) HG13 ILE 37 - H GLU 30 OK 10 82 - 12 - 3956/3952=1, 3923/3919=1...(6) HG LEU 49 - H GLU 30 lone 3 57 - 5 - HG LEU 103 - H GLU 30 lone 3 57 - 5 - 3.0/3883=2, 2.1/7747=1 Reference assignment not found: HB3 LEU 123 - H LEU 123 Peak 11585 from nnoeabs.peaks (0.80, 7.95, 113.43 ppm; 4.39 A): 4 out of 4 assignments used, quality = 0.84: QD2 LEU 119 + H SER 124 OK 57 98 - 58 - 3.1/11551=23, ~10363=11...(11) QD2 LEU 49 + H SER 124 OK 33 100 - 33 - 2.1/7765=7, 11422/3951=6...(12) QD1 LEU 122 + H SER 124 OK 32 65 - 49 - 4.3/7759=23, 3.8/7760=18...(6) QD1 LEU 53 + H SER 124 OK 21 96 - 22 - 11728/3.4=9...(4) Peak 11647 from nnoeabs.peaks (7.08, 8.47, 118.09 ppm; 5.43 A): 0 out of 1 assignment used, low quality = 0.31: QD PHE 89 - H VAL 132 OK 31 65 - 48 - 10546/4.0=21...(5) Peak 11703 from nnoeabs.peaks (1.23, 8.30, 120.94 ppm; 4.21 A): 1 out of 3 assignments used, quality = 0.70: QG2 THR 65 + H LEU 49 OK 70 92 - 77 - 9200/2.9=24, 9442/3.9=19...(13) QG2 THR 54 - H LEU 49 poor 8 81 - 10 - 10959/3.9=4, 9199/4.0=2 QG2 THR 83 - H LEU 49 lone 3 87 - 3 - 10959/3.9=1 Peak 11705 from nnoeabs.peaks (0.90, 8.08, 120.56 ppm; 3.89 A): 1 out of 5 assignments used, quality = 0.71: QG1 VAL 118 + H LEU 103 OK 71 100 - 72 - 11709/3.0=21...(12) QG1 VAL 20 - H LEU 103 poor 8 73 - 11 - 10712/3.9=3, ~11709=3...(5) QG2 VAL 20 - H LEU 103 lone 7 73 - 9 - 11709/3.0=4, 10067/3.0=2 QD1 LEU 22 - H LEU 103 lone 5 92 - 5 - 10067/3.0=1, 11709/3.0=1 QD2 LEU 48 - H LEU 103 lone 3 65 - 5 - Peak 11726 from nnoeabs.peaks (0.92, 7.71, 113.84 ppm; 3.80 A): 4 out of 6 assignments used, quality = 0.62: QD1 LEU 62 + H LEU 53 OK 32 87 - 36 - 11809/4.0=12, ~9228=11...(4) QD1 LEU 49 + H LEU 53 OK 27 81 - 33 - 4.1/6656=11, 2.1/6667=10...(6) QD1 LEU 48 + H LEU 53 OK 14 96 - 14 - 4.0/6656=6, ~9227=5, 1529/6656=2 QG2 VAL 112 + H LEU 53 OK 11 96 - 11 - 2.1/6668=5, 3560/4.3=2...(4) QD1 LEU 123 - H LEU 53 lone 2 73 - 3 - QG2 VAL 63 - H LEU 53 lone 2 65 - 3 - Peak 11732 from nnoeabs.peaks (7.78, 7.92, 113.21 ppm; 5.45 A): 0 out of 1 assignment used, low quality = 0.00: HD22 ASN 121 - HD22 ASN 116 lone 8 96 - 9 - 10333/11535=5, 10334/11558=2 Peak 11733 from nnoeabs.peaks (7.77, 7.01, 113.21 ppm; 5.83 A): 0 out of 1 assignment used, low quality = 0.00: HE22 GLN 68 - HD21 ASN 116 lone 4 81 - 5 - 10282/10218=1 Peak 11734 from nnoeabs.peaks (4.37, 7.60, 111.74 ppm; 3.94 A): 2 out of 2 assignments used, quality = 0.60: HA PRO 117 + HD21 ASN 120 OK 54 100 - 54 - 11735/1.7=21...(6) HA PRO 113 + HD21 ASN 120 OK 14 96 - 14 - 11735/1.7=6, 4.9/7678=2...(5) Peak 11735 from nnoeabs.peaks (4.37, 6.77, 111.74 ppm; 4.27 A): 2 out of 2 assignments used, quality = 0.54: HA PRO 117 + HD22 ASN 120 OK 47 87 - 54 - 11734/1.7=28...(6) HA PRO 113 + HD22 ASN 120 OK 13 100 - 13 - 11734/1.7=7, 4.9/7684=3 Peak 11737 from nnoeabs.peaks (6.81, 7.76, 112.26 ppm; 3.69 A): 0 out of 1 assignment used, low quality = 0.40: QE TYR 72 - HE22 GLN 68 OK 40 98 - 41 - 11830/3.5=23...(3) Peak 11748 from nnoeabs.peaks (0.90, 8.18, 122.62 ppm; 4.45 A): 3 out of 3 assignments used, quality = 0.70: QG1 VAL 118 + H LEU 122 OK 54 96 - 56 - 11538/4.3=18...(11) QG2 VAL 20 + H LEU 122 OK 25 96 - 26 - ~10712=12, 11942/3.5=6...(4) QD1 LEU 22 + H LEU 122 OK 14 100 - 13 - 10324/3.6=4, 2.1/7729=2...(4) Peak 11749 from nnoeabs.peaks (0.96, 8.18, 122.62 ppm; 4.67 A): 0 out of 5 assignments used, low quality = 0.34: QG2 VAL 126 - H LEU 122 OK 14 100 - 14 - ~11604=10, 11614/4.3=3 QG1 VAL 126 - H LEU 122 OK 13 73 - 18 - 11604/2.9=8, 11613/4.3=8 QG1 VAL 105 - H LEU 122 OK 12 92 - 13 - ~3465=5, ~10086=4, ~3331=4 QD2 LEU 53 - H LEU 122 lone 10 99 - 10 - 2.1/7733=3, 10328/7726=1 QG1 VAL 112 - H LEU 122 lone 9 98 - 9 - 3.2/7721=3, ~7753=2, ~7738=2 Peak 11751 from nnoeabs.peaks (4.37, 7.54, 116.56 ppm; 4.36 A): 1 out of 3 assignments used, quality = 0.46: HA ASP 78 + H VAL 77 OK 46 57 - 80 - 2.9/7045=44...(11) HA PRO 117 - H VAL 77 poor 9 81 - 11 - 11155/4.0=3, 3.6/7643=3 HA PRO 113 - H VAL 77 lone 3 99 - 3 - 11155/4.0=1 Peak 11757 from nnoeabs.peaks (3.80, 8.41, 122.27 ppm; 4.83 A): 3 out of 3 assignments used, quality = 0.53: HB2 SER 9 + H MET 11 OK 27 92 - 30 - 4.5/6062=29 HB3 SER 9 + H MET 11 OK 26 87 - 30 - 4.5/6062=29 HA ARG 90 + H MET 11 OK 12 92 - 13 - 3.8/6068=4, 5.2/6064=3...(5) Peak 11760 from nnoeabs.peaks (4.29, 8.37, 109.62 ppm; 4.78 A): 5 out of 9 assignments used, quality = 0.91: HA ALA 15 + H GLY 14 OK 60 96 - 63 - 3.0/6113=32, ~6117=12...(7) HA ALA 12 + H GLY 14 OK 58 96 - 61 - 2.1/10659=38, 3.6/6091=35 HA ARG 23 + H GLY 14 OK 38 98 - 38 - 10728/4.6=21, 424=5...(8) HA THR 18 + H GLY 14 OK 10 98 - 11 - 10686/10659=7, 6084/4.7=2 HA ALA 110 + H GLY 14 OK 10 92 - 11 - ~11477=7, ~10660=2, 6118/4.6=1 HA THR 25 - H GLY 14 lone 6 99 - 6 - HA ALA 21 - H GLY 14 lone 5 100 - 5 - 3.6/6113=2, 363/4.6=1 HA GLN 61 - H GLY 14 lone 2 73 - 3 - ~10984=2 HA SER 74 - H GLY 14 lone 1 99 - 1 - Peak 11761 from nnoeabs.peaks (4.86, 8.37, 109.62 ppm; 4.75 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11762 from nnoeabs.peaks (8.22, 8.03, 122.31 ppm; 4.53 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11781 from nnoeabs.peaks (4.06, 7.90, 116.86 ppm; 3.94 A): 0 out of 3 assignments used, low quality = 0.14: HB THR 65 - H SER 106 OK 14 96 - 15 - 3.0/7542=5, 2069/4.0=3...(5) HB2 SER 74 - H SER 106 lone 2 87 - 2 - HB3 SER 74 - H SER 106 lone 2 81 - 2 - Peak 11783 from nnoeabs.peaks (4.00, 8.24, 121.99 ppm; 4.96 A): 0 out of 5 assignments used, low quality = 0.43: HA VAL 20 - H ARG 23 OK 33 65 - 51 - 10724/4.6=15...(7) HB3 SER 99 - H ARG 23 OK 14 87 - 16 - 11376/4.6=7...(4) HA SER 50 - H ARG 23 lone 5 98 - 5 - 11943/3.8=2, 10724/4.6=1 HA GLN 68 - H ARG 23 lone 3 87 - 4 - 10724/4.6=1 HB2 SER 124 - H ARG 23 lone 3 96 - 3 - 10724/4.6=1 Peak 11784 from nnoeabs.peaks (0.86, 8.38, 118.14 ppm; 4.42 A): 0 out of 4 assignments used, low quality = 0.00: QG2 VAL 57 - H THR 65 lone 8 98 - 8 - 9319/9417=6 QG2 ILE 32 - H THR 65 lone 2 92 - 2 - QD1 LEU 98 - H THR 65 lone 1 98 - 1 - QD2 LEU 70 - H THR 65 lone 1 98 - 1 - Peak 11785 from nnoeabs.peaks (0.96, 8.66, 113.28 ppm; 3.62 A): 3 out of 5 assignments used, quality = 0.64: QG1 VAL 126 + H SER 50 OK 37 99 - 37 - 11601=28, 11602/6627=7...(5) QG2 VAL 126 + H SER 50 OK 27 92 - 29 - 2.1/11601=24...(5) QD2 LEU 53 + H SER 50 OK 22 73 - 31 - 2.1/6621=10, ~1594=4...(8) QG1 VAL 112 - H SER 50 lone 2 65 - 3 - ~6602=1 QG1 VAL 105 - H SER 50 lone 1 100 - 1 - Peak 11786 from nnoeabs.peaks (4.37, 6.60, 111.09 ppm; 4.42 A): 0 out of 2 assignments used, low quality = 0.19: HA PRO 117 - HD21 ASN 59 OK 19 98 - 19 - 11787/1.7=18 HA PRO 113 - HD21 ASN 59 lone 10 99 - 9 - 11787/1.7=9 Peak 11787 from nnoeabs.peaks (4.36, 7.79, 111.09 ppm; 4.83 A): 0 out of 3 assignments used, low quality = 0.33: HA PRO 117 - HD22 ASN 59 OK 25 99 - 25 - 11786/1.7=24 HA PRO 113 - HD22 ASN 59 OK 11 81 - 14 - 11786/1.7=13 HA CYS 125 - HD22 ASN 59 lone 2 57 - 3 - 9955/9922=1 Peak 11789 from nnoeabs.peaks (4.38, 8.04, 121.95 ppm; 4.05 A): 2 out of 3 assignments used, quality = 0.81: HA ASP 78 + H TYR 76 OK 74 100 - 74 - 2.9/7033=31, 2410=15...(12) HA CYS 73 + H TYR 76 OK 27 99 - 27 - 11126/4.6=13...(3) HA SER 107 - H TYR 76 lone 1 92 - 2 - Peak 11831 from nnoeabs.peaks (2.94, 8.32, 120.30 ppm; 4.53 A): 2 out of 4 assignments used, quality = 0.54: HB2 CYS 45 + H TYR 72 OK 42 100 - 43 - 3.0/9148=16, 9548/6.5=11...(6) HG CYS 73 + H TYR 72 OK 20 81 - 25 - 9555/3.5=17, 9557/6986=7 HD2 ARG 135 - H TYR 72 lone 9 92 - 9 - 9555/3.5=3, 1433/9148=2...(4) HB3 ASN 116 - H TYR 72 lone 2 57 - 3 - Peak 11833 from nnoeabs.peaks (7.35, 7.35, 84.71 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE ARG 90 + HE ARG 90 OK 100 100 - 100 Peak 11834 from nnoeabs.peaks (6.73, 7.35, 84.71 ppm; 4.01 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11835 from nnoeabs.peaks (4.27, 7.35, 84.71 ppm; 6.40 A): 3 out of 11 assignments used, quality = 0.46: HA PHE 87 + HE ARG 90 OK 28 65 - 43 - 2804/4.8=18, 2794/4.8=15...(5) HA LEU 22 + HE ARG 90 OK 16 98 - 16 - 10720/11841=9...(3) HA LYS 26 + HE ARG 90 OK 11 92 - 12 - 2804/4.8=4, 2794/4.8=4 HA LYS 19 - HE ARG 90 lone 8 81 - 10 - 2804/4.8=3, 2794/4.8=3 HB THR 115 - HE ARG 90 lone 5 100 - 5 - 2794/4.8=1 HA LYS 36 - HE ARG 90 lone 4 100 - 4 - HA ALA 16 - HE ARG 90 lone 2 99 - 2 - HA LYS 31 - HE ARG 90 lone 2 98 - 2 - HA ALA 108 - HE ARG 90 lone 2 98 - 2 - HA ALA 109 - HE ARG 90 lone 2 98 - 2 - HA GLN 61 - HE ARG 90 lone 2 81 - 2 - Peak 11836 from nnoeabs.peaks (3.17, 7.35, 84.71 ppm; 2.94 A): 2 out of 6 assignments used, quality = 1.00: HD2 ARG 90 + HE ARG 90 OK 98 98 - 100 - 2.9=100 HD3 ARG 90 + HE ARG 90 OK 92 92 - 100 - 2.9=100 HD3 ARG 23 - HE ARG 90 lone 7 87 - 8 - 2820/4.0=1, 2829/4.0=1...(4) HD2 ARG 23 - HE ARG 90 lone 7 87 - 8 - 2820/4.0=1, 2829/4.0=1...(4) HB2 HIS 10 - HE ARG 90 lone 3 100 - 3 - HB3 HIS 6 - HE ARG 90 lone 0 65 - 1 - Peak 11837 from nnoeabs.peaks (2.01, 7.35, 84.71 ppm; 3.67 A): 2 out of 9 assignments used, quality = 0.74: HG2 ARG 90 + HE ARG 90 OK 67 73 - 92 - 4.0=76, 1.8/11840=31...(11) HB3 GLU 30 + HE ARG 90 OK 21 92 - 23 - 1.8/11838=5, 769/4.8=3...(11) HB2 GLN 134 - HE ARG 90 lone 9 87 - 10 - 9652/11842=2, 2827/4.0=2...(5) HB VAL 63 - HE ARG 90 lone 4 81 - 5 - HB2 GLU 44 - HE ARG 90 lone 3 65 - 5 - 9652/11842=1 HB3 MET 11 - HE ARG 90 lone 2 73 - 3 - HB3 PRO 117 - HE ARG 90 lone 1 87 - 1 - HG2 PRO 56 - HE ARG 90 lone 1 81 - 1 - HG3 PRO 56 - HE ARG 90 lone 1 81 - 1 - Peak 11838 from nnoeabs.peaks (1.95, 7.35, 84.71 ppm; 3.82 A): 4 out of 6 assignments used, quality = 0.95: HB3 ARG 90 + HE ARG 90 OK 89 99 - 89 - 4.8=52, 1.8/11839=26...(14) HB2 PRO 58 + HE ARG 90 OK 28 100 - 28 - 2817/4.0=6, 2826/4.0=6...(9) HB2 GLU 30 + HE ARG 90 OK 22 81 - 27 - 1.8/11837=7, 2817/4.0=5...(9) HB3 LYS 86 + HE ARG 90 OK 19 87 - 22 - 9823/11841=5...(9) HB3 PRO 81 - HE ARG 90 lone 3 96 - 3 - HB3 LYS 95 - HE ARG 90 lone 0 65 - 1 - Peak 11839 from nnoeabs.peaks (1.90, 7.35, 84.71 ppm; 3.82 A): 2 out of 6 assignments used, quality = 0.66: HB2 ARG 90 + HE ARG 90 OK 57 65 - 87 - 4.8=52, 2.9/11840=25...(13) HB2 PRO 113 + HE ARG 90 OK 20 87 - 23 - 2825/4.0=4, 2816/4.0=4...(8) HB2 GLU 40 - HE ARG 90 lone 2 92 - 3 - 9054/11841=2 HB3 ARG 84 - HE ARG 90 lone 2 100 - 2 - HB3 LEU 123 - HE ARG 90 lone 1 66 - 1 - HB2 ARG 135 - HE ARG 90 lone 1 99 - 1 - Peak 11840 from nnoeabs.peaks (1.73, 7.35, 84.71 ppm; 3.57 A): 2 out of 2 assignments used, quality = 0.77: HG3 ARG 90 + HE ARG 90 OK 72 81 - 89 - 4.0=71, 1.8/11837=22...(12) HB2 LEU 43 + HE ARG 90 OK 17 99 - 17 - 2819/4.0=4, 2800/4.8=3...(7) Peak 11841 from nnoeabs.peaks (1.19, 7.35, 84.71 ppm; 3.82 A): 1 out of 2 assignments used, quality = 0.57: QG2 VAL 77 + HE ARG 90 OK 57 81 - 71 - 2.1/11842=33, 9676=19...(8) QG2 THR 25 - HE ARG 90 lone 6 100 - 6 - 2398/11842=2...(3) Peak 11842 from nnoeabs.peaks (1.06, 7.35, 84.71 ppm; 4.00 A): 1 out of 1 assignment used, quality = 0.77: QG1 VAL 77 + HE ARG 90 OK 77 99 - 78 - 2.1/11841=34...(9) Peak 11843 from nnoeabs.peaks (0.87, 7.35, 84.71 ppm; 5.06 A): 0 out of 4 assignments used, low quality = 0.28: QD2 LEU 98 - HE ARG 90 OK 17 92 - 18 - 11844/2.9=6, ~11844=6 QD1 LEU 98 - HE ARG 90 OK 14 65 - 21 - 11844/2.9=9, 11844/2.9=8 QD2 LEU 69 - HE ARG 90 lone 9 99 - 9 - 11844/2.9=4, 11844/2.9=4 QG2 VAL 57 - HE ARG 90 lone 3 65 - 4 - 11844/2.9=2, 11844/2.9=1 Peak 11847 from nnoeabs.peaks (3.81, 7.35, 84.71 ppm; 5.48 A): 0 out of 3 assignments used, low quality = 0.00: HB2 SER 9 - HE ARG 90 lone 7 98 - 7 - 2815/4.0=1, 2796/4.8=1...(4) HB3 SER 9 - HE ARG 90 lone 5 99 - 5 - ~2833=2, ~2842=2 HA VAL 118 - HE ARG 90 lone 1 65 - 2 - Peak 11848 from nnoeabs.peaks (8.57, 7.35, 84.71 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.87: H ARG 90 + HE ARG 90 OK 73 73 - 99 - 7.3=82, 4.6/11840=38...(14) H GLY 114 + HE ARG 90 OK 53 87 - 61 - 2795/4.8=13, 2823/4.0=12...(9) Peak 11855 from nnoeabs.peaks (3.20, 7.25, 84.49 ppm; 3.34 A): 2 out of 3 assignments used, quality = 1.00: HD3 ARG 84 + HE ARG 84 OK 99 99 - 100 - 2.9=100 * HD2 ARG 84 + HE ARG 84 OK 99 99 - 100 - 2.9=100 HB3 CYS 125 - HE ARG 84 lone 2 71 - 2 - Peak 11856 from nnoeabs.peaks (1.64, 7.25, 84.49 ppm; 4.21 A): 2 out of 3 assignments used, quality = 1.00: HG3 ARG 84 + HE ARG 84 OK 99 99 - 100 - 3.6=100 HG2 ARG 84 + HE ARG 84 OK 99 99 - 100 - 3.6=100 HG LEU 43 - HE ARG 84 lone 2 85 - 3 - Peak 11857 from nnoeabs.peaks (1.81, 7.25, 84.49 ppm; 5.40 A): 1 out of 5 assignments used, quality = 0.97: HB2 ARG 84 + HE ARG 84 OK 97 97 - 100 - 5.1=100 HB3 LYS 19 - HE ARG 84 lone 8 85 - 9 - 3.0/11859=2, 2523/5.5=1 HB3 LYS 31 - HE ARG 84 lone 6 85 - 7 - 2523/5.5=1, 7091/6.7=1 HB3 LYS 24 - HE ARG 84 lone 3 71 - 5 - HB3 LEU 123 - HE ARG 84 lone 2 50 - 5 - 2523/5.5=1 Peak 11858 from nnoeabs.peaks (1.91, 7.25, 84.49 ppm; 6.39 A): 1 out of 5 assignments used, quality = 0.64: HB3 ARG 84 + HE ARG 84 OK 64 64 - 100 - 5.1=100 HB2 PRO 113 - HE ARG 84 lone 8 97 - 8 - 2524/5.5=1, 2536/5.1=1 HB2 ARG 90 - HE ARG 84 lone 5 99 - 5 - 2794/11859=1 HB3 LEU 123 - HE ARG 84 lone 3 50 - 5 - 2524/5.5=1 HB3 LEU 49 - HE ARG 84 lone 2 97 - 3 - Peak 11859 from nnoeabs.peaks (4.26, 7.25, 84.49 ppm; 4.99 A): 1 out of 3 assignments used, quality = 0.54: HA ARG 84 + HE ARG 84 OK 54 56 - 96 - 5.5=74, 3.0/11863=15...(18) HA PHE 87 - HE ARG 84 lone 8 79 - 10 - 2723/5.1=5, 9841/3.6=2 HA LYS 19 - HE ARG 84 lone 3 64 - 4 - 3.0/11857=2 Peak 11860 from nnoeabs.peaks (7.26, 7.25, 84.49 ppm; diagonal): 1 out of 1 assignment used, quality = 0.85: * HE ARG 84 + HE ARG 84 OK 85 85 - 100 Peak 11864 from nnoeabs.peaks (7.05, 7.05, 84.98 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: * HE ARG 135 + HE ARG 135 OK 99 99 - 100 Peak 11865 from nnoeabs.peaks (7.31, 7.05, 84.98 ppm; 4.48 A): 3 out of 3 assignments used, quality = 0.88: H ARG 135 + HE ARG 135 OK 77 90 - 85 - 3.0/10613=25, 7.3=24...(15) QD PHE 87 + HE ARG 135 OK 32 56 - 58 - 4352/2.9=10, ~11885=10...(11) HZ PHE 89 + HE ARG 135 OK 24 98 - 24 - 10542/11868=6...(9) Peak 11866 from nnoeabs.peaks (6.61, 7.05, 84.98 ppm; 3.54 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11867 from nnoeabs.peaks (4.02, 7.05, 84.98 ppm; 4.78 A): 5 out of 7 assignments used, quality = 0.86: HA ARG 135 + HE ARG 135 OK 76 85 - 89 - 6.3=43, 4.2/11871=21...(12) HA LYS 95 + HE ARG 135 OK 15 94 - 16 - 4345/2.9=3, 4353/2.9=3...(6) HA ILE 37 + HE ARG 135 OK 14 97 - 15 - 4353/2.9=3, 4345/2.9=3...(6) HB2 SER 38 + HE ARG 135 OK 14 64 - 22 - 4329/4.0=4, 4353/2.9=4...(6) HA LEU 103 + HE ARG 135 OK 11 79 - 14 - 4353/2.9=3, 4345/2.9=2...(6) HA LEU 119 - HE ARG 135 lone 5 98 - 5 - HB3 SER 124 - HE ARG 135 lone 1 85 - 2 - Peak 11868 from nnoeabs.peaks (3.52, 7.05, 84.98 ppm; 3.79 A): 1 out of 1 assignment used, quality = 0.79: HA VAL 132 + HE ARG 135 OK 79 97 - 81 - 10543=28, 10635/2.9=24...(12) Peak 11869 from nnoeabs.peaks (3.24, 7.05, 84.98 ppm; 3.39 A): 1 out of 5 assignments used, quality = 0.97: HD3 ARG 135 + HE ARG 135 OK 97 97 - 100 - 2.9=100 HB3 PHE 87 - HE ARG 135 OK 36 97 - 38 - 4351/2.9=6, 2.5/11865=5...(16) HB2 PHE 87 - HE ARG 135 OK 29 79 - 37 - 4351/2.9=6, 2.5/11865=5...(16) HB3 HIS 4 - HE ARG 135 lone 4 90 - 4 - HB2 HIS 5 - HE ARG 135 lone 3 90 - 3 - Peak 11870 from nnoeabs.peaks (2.94, 7.05, 84.98 ppm; 3.46 A): 1 out of 5 assignments used, quality = 0.99: HD2 ARG 135 + HE ARG 135 OK 99 99 - 100 - 2.9=100 HE2 LYS 39 - HE ARG 135 OK 27 85 - 32 - 2.9/11874=6, 4358/2.9=4...(13) HB2 CYS 45 - HE ARG 135 OK 21 90 - 24 - 4358/2.9=5, ~1448=4...(10) HB3 ASN 116 - HE ARG 135 OK 12 94 - 13 - 4358/2.9=2, 4342/4.0=2...(7) HG CYS 73 - HE ARG 135 lone 8 99 - 8 - 4358/2.9=1, 4342/4.0=1 Peak 11871 from nnoeabs.peaks (2.04, 7.05, 84.98 ppm; 3.30 A): 2 out of 5 assignments used, quality = 0.77: HG3 ARG 135 + HE ARG 135 OK 65 85 - 77 - 4.0=56, 1.8/11874=16...(8) HB3 GLU 40 + HE ARG 135 OK 34 97 - 36 - 1.8/11872=7, 4349/2.9=6...(10) HB3 GLU 91 - HE ARG 135 lone 7 85 - 8 - 4357/2.9=2, 4349/2.9=2 HB3 GLU 55 - HE ARG 135 lone 3 97 - 3 - QE MET 11 - HE ARG 135 lone 1 98 - 1 - Peak 11872 from nnoeabs.peaks (1.90, 7.05, 84.98 ppm; 3.92 A): 3 out of 6 assignments used, quality = 0.95: HB2 ARG 135 + HE ARG 135 OK 82 99 - 82 - 5.1=45, 2.9/11871=21...(10) HB2 GLU 40 + HE ARG 135 OK 50 98 - 51 - 1.8/11871=14, 1250/4.0=8...(11) HB3 ARG 84 + HE ARG 135 OK 40 97 - 42 - 1.8/11873=7, 4354/2.9=7...(12) HB3 LEU 48 - HE ARG 135 OK 16 79 - 20 - 3.0/11874=3, 4330/4.0=3...(8) HB2 PRO 113 - HE ARG 135 lone 3 64 - 4 - HB3 LEU 123 - HE ARG 135 lone 2 69 - 2 - Peak 11873 from nnoeabs.peaks (1.81, 7.05, 84.98 ppm; 4.02 A): 3 out of 11 assignments used, quality = 0.89: HB3 ARG 135 + HE ARG 135 OK 82 97 - 84 - 5.1=48, 2.9/11871=22...(10) HB2 ARG 84 + HE ARG 135 OK 34 85 - 41 - 1.8/11872=8, 4355/2.9=5...(11) HB ILE 32 + HE ARG 135 OK 10 97 - 10 - 4347/2.9=2, 4355/2.9=2...(5) HB3 LYS 26 - HE ARG 135 lone 7 94 - 7 - 4347/2.9=1, 4355/2.9=1 HB2 LYS 36 - HE ARG 135 lone 7 98 - 7 - 4355/2.9=1, 4347/2.9=1...(4) HB2 LEU 100 - HE ARG 135 lone 6 79 - 8 - 4355/2.9=1, 4347/2.9=1...(4) HB3 LYS 24 - HE ARG 135 lone 6 99 - 6 - 4355/2.9=1, 4347/2.9=1 HB3 LYS 31 - HE ARG 135 lone 5 97 - 5 - HB3 LYS 19 - HE ARG 135 lone 4 97 - 4 - HB3 ARG 23 - HE ARG 135 lone 3 71 - 5 - HB3 LEU 123 - HE ARG 135 lone 1 64 - 2 - Peak 11874 from nnoeabs.peaks (1.72, 7.05, 84.98 ppm; 3.31 A): 5 out of 6 assignments used, quality = 0.85: HG2 ARG 135 + HE ARG 135 OK 66 85 - 78 - 4.0=56, 1.8/11871=21...(7) HD3 LYS 39 + HE ARG 135 OK 30 97 - 32 - 3.0/11875=5, 4348/2.9=4...(13) HB3 LEU 70 + HE ARG 135 OK 14 98 - 14 - 4356/2.9=2, 4348/2.9=2...(6) HG LEU 48 + HE ARG 135 OK 13 97 - 14 - 4348/2.9=2, 4356/2.9=2...(6) HB2 LEU 70 + HE ARG 135 OK 13 90 - 14 - 4356/2.9=2, 4348/2.9=2...(7) HG LEU 98 - HE ARG 135 lone 6 79 - 8 - 4348/2.9=1, 4356/2.9=1...(4) Peak 11875 from nnoeabs.peaks (1.14, 7.05, 84.98 ppm; 3.70 A): 3 out of 5 assignments used, quality = 0.88: QG1 VAL 132 + HE ARG 135 OK 58 90 - 65 - 3.2/11868=26, ~10636=10...(13) QG2 VAL 132 + HE ARG 135 OK 57 97 - 59 - 3.2/11868=26, ~10636=10...(11) HG2 LYS 39 + HE ARG 135 OK 35 99 - 36 - 3.0/11874=7, 10640/2.9=6...(13) QG2 THR 115 - HE ARG 135 lone 2 99 - 2 - HB3 LEU 62 - HE ARG 135 lone 1 64 - 2 - Peak 11876 from nnoeabs.peaks (7.19, 7.19, 84.49 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE ARG 23 + HE ARG 23 OK 100 100 - 100 Peak 11877 from nnoeabs.peaks (6.82, 7.19, 84.49 ppm; 5.85 A): 0 out of 1 assignment used, low quality = 0.15: HE21 GLN 127 - HE ARG 23 OK 15 100 - 15 - 10430/3.6=13 Peak 11879 from nnoeabs.peaks (4.28, 7.19, 84.49 ppm; 6.80 A): 2 out of 15 assignments used, quality = 0.98: HA ARG 23 + HE ARG 23 OK 96 96 - 100 - 6.4=100 HA LEU 22 + HE ARG 23 OK 49 92 - 53 - 375/7.1=26, 435/4.8=6...(11) HA THR 25 - HE ARG 23 OK 18 65 - 27 - 426/4.8=7, 435/4.8=7...(7) HA ALA 12 - HE ARG 23 OK 18 98 - 18 - ~10729=7, 462/2.9=2...(7) HA ALA 15 - HE ARG 23 OK 16 98 - 16 - 426/4.8=3, 435/4.8=3...(7) HA ALA 21 - HE ARG 23 OK 11 73 - 14 - 6202/7.1=4, 426/4.8=2...(5) HA LYS 31 - HE ARG 23 lone 8 92 - 8 - HA ALA 110 - HE ARG 23 lone 7 99 - 7 - HA GLN 61 - HE ARG 23 lone 7 100 - 6 - HA LYS 36 - HE ARG 23 lone 5 81 - 6 - HA ALA 108 - HE ARG 23 lone 4 92 - 4 - HA ALA 109 - HE ARG 23 lone 4 92 - 4 - HA ALA 16 - HE ARG 23 lone 3 87 - 4 - HA SER 74 - HE ARG 23 lone 3 65 - 4 - HB THR 115 - HE ARG 23 lone 2 73 - 3 - Peak 11880 from nnoeabs.peaks (3.17, 7.19, 84.49 ppm; 3.39 A): 2 out of 6 assignments used, quality = 0.99: HD2 ARG 23 + HE ARG 23 OK 92 92 - 100 - 2.9=100 HD3 ARG 23 + HE ARG 23 OK 92 92 - 100 - 2.9=100 HD2 ARG 90 - HE ARG 23 lone 10 99 - 10 - 458/3.6=1, 450/3.6=1...(4) HD3 ARG 90 - HE ARG 23 poor 10 96 - 10 - 458/3.6=1, 450/3.6=1...(4) HB2 HIS 10 - HE ARG 23 lone 1 100 - 1 - HB3 HIS 6 - HE ARG 23 lone 1 73 - 1 - Peak 11881 from nnoeabs.peaks (1.82, 7.19, 84.49 ppm; 4.59 A): 2 out of 11 assignments used, quality = 0.96: HB3 ARG 23 + HE ARG 23 OK 93 96 - 98 - 4.8=88, 1.8/11882=20...(14) HB3 LYS 26 + HE ARG 23 OK 35 100 - 35 - 1.8/11882=7, 455/3.6=6...(10) HB3 LYS 24 - HE ARG 23 OK 17 92 - 19 - 1.8/11882=4, 455/3.6=3...(10) HB3 LYS 19 - HE ARG 23 OK 11 81 - 14 - ~10729=6, 1.8/11882=4...(4) HB2 LEU 100 - HE ARG 23 lone 7 98 - 7 - 455/3.6=1, 446/3.6=1, 428/4.8=1 HB ILE 32 - HE ARG 23 lone 6 100 - 6 - HB3 LEU 123 - HE ARG 23 lone 5 73 - 6 - HB2 LYS 36 - HE ARG 23 lone 3 99 - 3 - HB3 ARG 135 - HE ARG 23 lone 3 100 - 3 - HB VAL 93 - HE ARG 23 lone 2 65 - 3 - HB3 LYS 31 - HE ARG 23 lone 2 81 - 2 - Peak 11882 from nnoeabs.peaks (1.75, 7.19, 84.49 ppm; 4.75 A): 1 out of 7 assignments used, quality = 0.98: HB2 ARG 23 + HE ARG 23 OK 98 98 - 100 - 4.8=97, 454/3.6=21...(14) HB2 LYS 26 - HE ARG 23 OK 36 99 - 37 - 1.8/11881=8, 454/3.6=6...(10) HB2 LYS 19 - HE ARG 23 OK 21 99 - 21 - ~10729=6, 1.8/11881=3...(8) HB2 LYS 24 - HE ARG 23 OK 20 92 - 22 - 1.8/11881=4, 454/3.6=4...(10) HB2 LYS 39 - HE ARG 23 poor 7 65 - 11 - 454/3.6=3, 445/3.6=2...(4) HB2 LYS 31 - HE ARG 23 lone 2 65 - 3 - HG13 ILE 129 - HE ARG 23 lone 1 73 - 1 - Peak 11883 from nnoeabs.peaks (1.62, 7.19, 84.49 ppm; 4.35 A): 1 out of 4 assignments used, quality = 1.00: HG3 ARG 23 + HE ARG 23 OK 100 100 - 100 - 3.6=100 HG LEU 119 - HE ARG 23 OK 25 98 - 25 - 448/3.6=5, 430/4.8=5...(7) HB3 LEU 22 - HE ARG 23 OK 19 73 - 26 - 391/7.1=5, 430/4.8=4...(8) HG LEU 22 - HE ARG 23 OK 15 73 - 21 - 399/7.1=5, 430/4.8=3...(8) Peak 11884 from nnoeabs.peaks (1.58, 7.19, 84.49 ppm; 4.43 A): 2 out of 2 assignments used, quality = 0.83: HG2 ARG 23 + HE ARG 23 OK 81 81 - 100 - 3.6=100 HB2 LEU 103 + HE ARG 23 OK 12 92 - 13 - 429/4.8=3, 438/4.8=2...(6) Peak 11886 from nnoeabs.peaks (2.00, 7.56, 115.93 ppm; 4.57 A): 3 out of 9 assignments used, quality = 0.67: HB ILE 129 + H GLN 82 OK 37 96 - 39 - 2.1/11261=20...(6) * HG2 PRO 81 + H GLN 82 OK 29 100 - 30 - 11910/3.6=14, ~11264=10...(5) HB3 LEU 53 + H GLN 82 OK 25 92 - 28 - 11910/3.6=6, 11893/4.1=5...(8) HB3 PRO 56 - H GLN 82 lone 5 99 - 5 - 11910/3.6=1, 11893/4.1=1 HB VAL 20 - H GLN 82 lone 3 98 - 3 - HB2 GLU 91 - H GLN 82 lone 3 96 - 3 - HG2 PRO 56 - H GLN 82 lone 2 65 - 3 - 11891/4.1=1 HG3 PRO 56 - H GLN 82 lone 2 65 - 3 - 11891/4.1=1 HB2 GLU 55 - H GLN 82 lone 2 73 - 2 - Peak 11917 from nnoeabs.peaks (0.94, 7.99, 115.96 ppm; 4.21 A): 0 out of 3 assignments used, low quality = 0.22: QG2 ILE 37 - H SER 94 OK 22 87 - 25 - 9004/2.9=5, 4.0/6402=5...(11) QG1 VAL 57 - H SER 94 lone 4 81 - 5 - 9312/9224=3 QD1 LEU 119 - H SER 94 lone 2 100 - 2 - Peak 11918 from nnoeabs.peaks (0.85, 7.98, 115.88 ppm; 4.36 A): 2 out of 2 assignments used, quality = 0.51: QG2 ILE 32 + H SER 51 OK 36 99 - 36 - 3.2/9220=21, 3.2/6630=6...(9) QD2 LEU 70 + H SER 51 OK 23 96 - 24 - 11104/3.0=6, ~11102=4...(8) Peak 11919 from nnoeabs.peaks (0.69, 7.13, 112.66 ppm; 4.21 A): 0 out of 1 assignment used, low quality = 0.19: QD2 LEU 100 - HE22 GLN 134 OK 19 81 - 24 - 10600/3.5=11...(4) Peak 11920 from nnoeabs.peaks (8.13, 8.00, 120.91 ppm; 4.49 A): 0 out of 4 assignments used, low quality = 0.35: H ILE 32 - H LYS 36 OK 35 73 - 48 - 4.0/10892=19...(8) H GLU 91 - H LYS 36 lone 8 81 - 10 - 2.9/2857=4, 4.1/7259=3 H ASP 71 - H LYS 36 lone 5 92 - 5 - 6965/10892=2 H ALA 15 - H LYS 36 lone 3 57 - 6 - 2.9/6394=1 Peak 11921 from nnoeabs.peaks (8.07, 6.60, 111.09 ppm; 6.80 A): 3 out of 3 assignments used, quality = 0.55: H ALA 108 + HD21 ASN 59 OK 31 57 - 53 - 3.6/11475=30, 11482=18...(6) H VAL 20 + HD21 ASN 59 OK 27 73 - 37 - 3.0/9335=30, 4.0/9342=7 H ASN 120 + HD21 ASN 59 OK 11 87 - 13 - 11562/11786=6...(3) Peak 11940 from nnoeabs.peaks (0.86, 8.43, 125.99 ppm; 6.80 A): 3 out of 4 assignments used, quality = 0.89: QG2 ILE 32 + H ALA 34 OK 83 92 - 91 - 4.4/6369=41...(11) QD2 LEU 70 + H ALA 34 OK 20 98 - 21 - 6362/4.5=7, 10851/3.6=5...(5) QD1 LEU 98 + H ALA 34 OK 18 98 - 18 - 10862/4.6=12, 6362/4.5=3 QG2 VAL 57 - H ALA 34 lone 7 98 - 7 - 10862/4.6=3 Peak 11941 from nnoeabs.peaks (4.20, 8.06, 121.67 ppm; 6.80 A): 3 out of 5 assignments used, quality = 0.81: HB THR 18 + H VAL 20 OK 69 92 - 75 - 4.6/6157=49...(5) HA VAL 105 + H VAL 20 OK 29 73 - 40 - 3.2/11449=37, 6146/4.6=1 HB THR 25 + H VAL 20 OK 12 98 - 12 - 10693/4.6=4, 6146/4.6=2...(4) HA GLU 128 - H VAL 20 lone 7 99 - 7 - 3479/11449=2, 6146/4.6=2 HA ALA 88 - H VAL 20 lone 4 92 - 4 - Peak 6 from cnoeabs.peaks (3.89, 3.89, 44.72 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HA3 GLY 2 + HA3 GLY 2 OK 100 100 - 100 * HA2 GLY 2 + HA2 GLY 2 OK 100 100 - 100 Peak 7 from cnoeabs.peaks (3.89, 3.89, 44.72 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HA3 GLY 2 + HA3 GLY 2 OK 100 100 - 100 HA2 GLY 2 + HA2 GLY 2 OK 100 100 - 100 Reference assignment not found: HA3 GLY 2 - HA2 GLY 2 Peak 9 from cnoeabs.peaks (3.89, 3.89, 44.72 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HA3 GLY 2 + HA3 GLY 2 OK 100 100 - 100 HA2 GLY 2 + HA2 GLY 2 OK 100 100 - 100 Reference assignment not found: HA2 GLY 2 - HA3 GLY 2 Peak 10 from cnoeabs.peaks (3.89, 3.89, 44.72 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA3 GLY 2 + HA3 GLY 2 OK 100 100 - 100 HA2 GLY 2 + HA2 GLY 2 OK 100 100 - 100 Peak 13 from cnoeabs.peaks (4.61, 4.61, 55.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA HIS 3 + HA HIS 3 OK 100 100 - 100 Peak 14 from cnoeabs.peaks (3.02, 4.61, 55.20 ppm; 4.41 A): 1 out of 2 assignments used, quality = 1.00: * HB2 HIS 3 + HA HIS 3 OK 100 100 - 100 - 3.0=100 HB2 TYR 72 - HA HIS 3 OK 12 99 - 12 - ~2314=3, ~2298=2...(5) Peak 15 from cnoeabs.peaks (3.15, 4.61, 55.20 ppm; 3.72 A): 1 out of 3 assignments used, quality = 1.00: * HB3 HIS 3 + HA HIS 3 OK 100 100 - 100 - 3.0=100 HB3 HIS 7 - HA HIS 3 lone 4 100 - 4 - 77/4.8=2 HB2 HIS 6 - HA HIS 3 lone 2 99 - 2 - 58/4.8=1 Peak 18 from cnoeabs.peaks (4.61, 3.02, 28.79 ppm; 6.59 A): 1 out of 1 assignment used, quality = 1.00: * HA HIS 3 + HB2 HIS 3 OK 100 100 - 100 - 3.0=100 Peak 19 from cnoeabs.peaks (3.02, 3.02, 28.79 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 HIS 3 + HB2 HIS 3 OK 100 100 - 100 Peak 20 from cnoeabs.peaks (3.15, 3.02, 28.79 ppm; 2.50 A): 1 out of 3 assignments used, quality = 1.00: * HB3 HIS 3 + HB2 HIS 3 OK 100 100 - 100 - 1.8=100 HB3 HIS 7 - HB2 HIS 3 lone 1 100 - 1 - HB2 HIS 6 - HB2 HIS 3 lone 1 99 - 1 - Peak 21 from cnoeabs.peaks (8.52, 3.02, 28.79 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: * H HIS 4 + HB2 HIS 3 OK 100 100 - 100 - 4.7=100 H HIS 5 - HB2 HIS 3 lone 3 81 - 4 - Peak 23 from cnoeabs.peaks (4.61, 3.15, 28.79 ppm; 3.44 A): 1 out of 1 assignment used, quality = 1.00: * HA HIS 3 + HB3 HIS 3 OK 100 100 - 100 - 3.0=100 Peak 24 from cnoeabs.peaks (3.02, 3.15, 28.79 ppm; 2.50 A): 1 out of 2 assignments used, quality = 1.00: * HB2 HIS 3 + HB3 HIS 3 OK 100 100 - 100 - 1.8=100 HB2 TYR 72 - HB3 HIS 3 lone 4 99 - 3 - ~2314=1 Peak 25 from cnoeabs.peaks (3.15, 3.15, 28.79 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 HIS 3 + HB3 HIS 3 OK 100 100 - 100 Peak 26 from cnoeabs.peaks (8.52, 3.15, 28.79 ppm; 5.31 A): 1 out of 2 assignments used, quality = 1.00: * H HIS 4 + HB3 HIS 3 OK 100 100 - 100 - 4.7=100 H HIS 5 - HB3 HIS 3 lone 2 81 - 2 - Peak 28 from cnoeabs.peaks (4.64, 4.64, 55.07 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA HIS 4 + HA HIS 4 OK 100 100 - 100 HA HIS 6 + HA HIS 6 OK 75 75 - 100 Peak 33 from cnoeabs.peaks (4.64, 3.11, 28.89 ppm; 3.33 A): 1 out of 3 assignments used, quality = 1.00: * HA HIS 4 + HB2 HIS 4 OK 100 100 - 100 - 3.0=100 HA HIS 7 - HB2 HIS 4 OK 17 87 - 19 - 68=3, 38/1.8=3...(8) HA HIS 6 - HB2 HIS 4 lone 7 99 - 7 - 3.6/6031=2, 38/1.8=1 Peak 34 from cnoeabs.peaks (3.11, 3.11, 28.89 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 HIS 4 + HB2 HIS 4 OK 100 100 - 100 Peak 35 from cnoeabs.peaks (3.23, 3.11, 28.89 ppm; 4.43 A): 1 out of 5 assignments used, quality = 1.00: * HB3 HIS 4 + HB2 HIS 4 OK 100 100 - 100 - 1.8=100 HD3 ARG 135 - HB2 HIS 4 lone 5 99 - 5 - HB2 PHE 87 - HB2 HIS 4 lone 3 99 - 3 - HB3 PHE 87 - HB2 HIS 4 lone 3 99 - 3 - HB2 HIS 5 - HB2 HIS 4 lone 2 100 - 2 - Peak 38 from cnoeabs.peaks (4.64, 3.23, 28.89 ppm; 4.96 A): 1 out of 3 assignments used, quality = 1.00: * HA HIS 4 + HB3 HIS 4 OK 100 100 - 100 - 3.0=100 HA HIS 7 - HB3 HIS 4 OK 30 87 - 34 - 33/1.8=7, 6014/4.0=5...(12) HA HIS 6 - HB3 HIS 4 OK 13 99 - 12 - 33/1.8=3, 6014/4.0=2...(5) Peak 39 from cnoeabs.peaks (3.11, 3.23, 28.89 ppm; 2.90 A): 1 out of 2 assignments used, quality = 1.00: * HB2 HIS 4 + HB3 HIS 4 OK 100 100 - 100 - 1.8=100 HB2 HIS 7 - HB3 HIS 4 lone 8 87 - 9 - 3.0/38=2, ~33=1...(5) Peak 40 from cnoeabs.peaks (3.23, 3.23, 28.89 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 HIS 4 + HB3 HIS 4 OK 100 100 - 100 Peak 43 from cnoeabs.peaks (4.41, 4.41, 54.88 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA HIS 5 + HA HIS 5 OK 100 100 - 100 Peak 45 from cnoeabs.peaks (3.07, 4.41, 54.88 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: * HB3 HIS 5 + HA HIS 5 OK 100 100 - 100 - 3.0=100 HE2 LYS 86 - HA HIS 5 OK 13 99 - 12 - 49/3.0=5, ~2689=2...(4) Peak 48 from cnoeabs.peaks (3.23, 3.23, 27.29 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 HIS 5 + HB2 HIS 5 OK 100 100 - 100 Peak 49 from cnoeabs.peaks (3.07, 3.23, 27.29 ppm; 6.50 A): 1 out of 2 assignments used, quality = 1.00: * HB3 HIS 5 + HB2 HIS 5 OK 100 100 - 100 - 1.8=100 HE2 LYS 86 - HB2 HIS 5 OK 13 99 - 12 - 45/3.0=4, ~2689=2...(4) Peak 52 from cnoeabs.peaks (3.23, 3.07, 27.29 ppm; 6.80 A): 1 out of 5 assignments used, quality = 1.00: * HB2 HIS 5 + HB3 HIS 5 OK 100 100 - 100 - 1.8=100 HD3 ARG 135 - HB3 HIS 5 lone 7 99 - 7 - ~4343=1, ~4335=1 HB3 HIS 4 - HB3 HIS 5 lone 4 100 - 4 - HB3 PHE 87 - HB3 HIS 5 lone 4 99 - 4 - HB2 PHE 87 - HB3 HIS 5 lone 4 99 - 4 - Peak 53 from cnoeabs.peaks (3.07, 3.07, 27.29 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 HIS 5 + HB3 HIS 5 OK 100 100 - 100 Peak 54 from cnoeabs.peaks (4.64, 4.64, 55.13 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA HIS 6 + HA HIS 6 OK 100 100 - 100 HA HIS 4 + HA HIS 4 OK 75 75 - 100 Peak 55 from cnoeabs.peaks (3.16, 4.64, 55.13 ppm; 2.51 A): 3 out of 8 assignments used, quality = 0.80: * HB2 HIS 6 + HA HIS 6 OK 61 100 - 61 - 3.0=57, 61/3.6=8 HB3 HIS 6 + HA HIS 6 OK 40 65 - 60 - 3.0=57, 4.4/57=7 HB3 HIS 7 + HA HIS 6 OK 16 99 - 17 - 3.9/57=9, 77=2...(5) HB3 HIS 7 - HA HIS 4 lone 7 75 - 9 - 1.8/11935=2, 77=2...(4) HB2 HIS 6 - HA HIS 4 lone 4 77 - 5 - 58=2, 1.8/62=1, 4.4/57=1 HB3 HIS 6 - HA HIS 4 lone 2 43 - 4 - 1.8/58=1, 4.4/57=1 HB3 HIS 3 - HA HIS 6 lone 1 99 - 1 - HB3 HIS 3 - HA HIS 4 lone 0 75 - 0 - Peak 56 from cnoeabs.peaks (3.17, 4.64, 55.13 ppm; 2.51 A): 2 out of 14 assignments used, quality = 0.76: * HB3 HIS 6 + HA HIS 6 OK 61 100 - 61 - 3.0=57, 65/3.6=8 HB2 HIS 6 + HA HIS 6 OK 40 65 - 60 - 3.0=57, 4.4/57=7 HB3 HIS 6 - HA HIS 4 lone 4 77 - 5 - 62=2, 1.8/58=1, 4.4/57=1 HB2 HIS 6 - HA HIS 4 lone 2 43 - 4 - 1.8/62=1, 4.4/57=1 HD3 ARG 90 - HA HIS 6 lone 0 96 - 0 - HD2 ARG 90 - HA HIS 6 lone 0 87 - 0 - HD3 ARG 23 - HA HIS 6 lone 0 98 - 0 - HD2 ARG 23 - HA HIS 6 lone 0 98 - 0 - HB2 HIS 10 - HA HIS 6 lone 0 65 - 0 - HD2 ARG 23 - HA HIS 4 lone 0 72 - 0 - HD3 ARG 23 - HA HIS 4 lone 0 72 - 0 - HD3 ARG 90 - HA HIS 4 lone 0 69 - 0 - HD2 ARG 90 - HA HIS 4 lone 0 60 - 0 - HB2 HIS 10 - HA HIS 4 lone 0 43 - 0 - Peak 57 from cnoeabs.peaks (8.69, 4.64, 55.13 ppm; 3.16 A): 2 out of 6 assignments used, quality = 0.83: * H HIS 7 + HA HIS 6 OK 81 100 - 81 - 3.6=70, 65/3.0=16...(8) H HIS 7 + HA HIS 4 OK 12 77 - 15 - 6027=4, 6031/3.0=2...(6) H PHE 89 - HA HIS 6 lone 1 73 - 1 - H LYS 39 - HA HIS 6 lone 0 73 - 1 - H PHE 89 - HA HIS 4 lone 0 49 - 0 - H LYS 39 - HA HIS 4 lone 0 49 - 0 - Peak 58 from cnoeabs.peaks (4.64, 3.16, 29.14 ppm; 3.09 A): 1 out of 3 assignments used, quality = 1.00: * HA HIS 6 + HB2 HIS 6 OK 100 100 - 100 - 3.0=100 HA HIS 7 - HB2 HIS 6 OK 40 73 - 54 - 2.9/61=15, ~65=10, 69=9...(11) HA HIS 4 - HB2 HIS 6 lone 8 99 - 8 - 62/1.8=2, 57/4.4=2, 55=2 Peak 59 from cnoeabs.peaks (3.16, 3.16, 29.14 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 HIS 6 + HB2 HIS 6 OK 100 100 - 100 Peak 60 from cnoeabs.peaks (3.17, 3.16, 29.14 ppm; diagonal): 1 out of 1 assignment used, quality = 0.65: HB2 HIS 6 + HB2 HIS 6 OK 65 65 - 100 Reference assignment not found: HB3 HIS 6 - HB2 HIS 6 Peak 61 from cnoeabs.peaks (8.69, 3.16, 29.14 ppm; 4.31 A): 1 out of 3 assignments used, quality = 0.99: * H HIS 7 + HB2 HIS 6 OK 99 100 - 99 - 4.4=95, 65/1.8=38...(7) H PHE 89 - HB2 HIS 6 lone 1 73 - 2 - H LYS 39 - HB2 HIS 6 lone 1 73 - 1 - Peak 62 from cnoeabs.peaks (4.64, 3.17, 29.14 ppm; 3.08 A): 1 out of 3 assignments used, quality = 1.00: * HA HIS 6 + HB3 HIS 6 OK 100 100 - 100 - 3.0=100 HA HIS 7 - HB3 HIS 6 OK 36 73 - 49 - 2.9/65=15, ~61=10...(10) HA HIS 4 - HB3 HIS 6 lone 8 99 - 8 - 58/1.8=2, 56=2, 57/4.4=2 Peak 63 from cnoeabs.peaks (3.16, 3.17, 29.14 ppm; diagonal): 1 out of 1 assignment used, quality = 0.65: HB3 HIS 6 + HB3 HIS 6 OK 65 65 - 100 Reference assignment not found: HB2 HIS 6 - HB3 HIS 6 Peak 64 from cnoeabs.peaks (3.17, 3.17, 29.14 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 HIS 6 + HB3 HIS 6 OK 100 100 - 100 Peak 65 from cnoeabs.peaks (8.69, 3.17, 29.14 ppm; 4.27 A): 1 out of 3 assignments used, quality = 0.98: * H HIS 7 + HB3 HIS 6 OK 98 100 - 98 - 4.4=92, 61/1.8=37...(6) H PHE 89 - HB3 HIS 6 lone 1 73 - 2 - H LYS 39 - HB3 HIS 6 lone 1 73 - 1 - Peak 67 from cnoeabs.peaks (4.65, 4.65, 55.24 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA HIS 7 + HA HIS 7 OK 100 100 - 100 Peak 68 from cnoeabs.peaks (3.11, 4.65, 55.24 ppm; 2.74 A): 2 out of 2 assignments used, quality = 0.87: * HB2 HIS 7 + HA HIS 7 OK 85 100 - 85 - 3.0=76, 1.8/69=24...(5) HB2 HIS 4 + HA HIS 7 OK 11 87 - 12 - 33=2, 6031/2.9=2...(5) Peak 69 from cnoeabs.peaks (3.15, 4.65, 55.24 ppm; 2.50 A): 2 out of 3 assignments used, quality = 0.82: * HB3 HIS 7 + HA HIS 7 OK 72 100 - 72 - 3.0=58, 1.8/68=24...(5) HB2 HIS 6 + HA HIS 7 OK 34 99 - 34 - 61/2.9=9, ~65=6, 58=4...(11) HB3 HIS 3 - HA HIS 7 lone 2 100 - 1 - Peak 71 from cnoeabs.peaks (8.69, 3.11, 29.32 ppm; 4.79 A): 1 out of 3 assignments used, quality = 1.00: * H HIS 7 + HB2 HIS 7 OK 100 100 - 100 - 3.9=100 H PHE 89 - HB2 HIS 7 lone 1 73 - 1 - H LYS 39 - HB2 HIS 7 lone 1 73 - 1 - Peak 72 from cnoeabs.peaks (4.65, 3.11, 29.32 ppm; 3.33 A): 1 out of 3 assignments used, quality = 1.00: * HA HIS 7 + HB2 HIS 7 OK 100 100 - 100 - 3.0=100 HA HIS 6 - HB2 HIS 7 OK 19 73 - 26 - 57/3.9=10, 3.0/74=5...(7) HA HIS 4 - HB2 HIS 7 OK 12 87 - 14 - 77/1.8=4, 3.0/39=2...(8) Peak 73 from cnoeabs.peaks (3.11, 3.11, 29.32 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 HIS 7 + HB2 HIS 7 OK 100 100 - 100 Peak 74 from cnoeabs.peaks (3.15, 3.11, 29.32 ppm; 2.50 A): 1 out of 3 assignments used, quality = 1.00: * HB3 HIS 7 + HB2 HIS 7 OK 100 100 - 100 - 1.8=100 HB2 HIS 6 - HB2 HIS 7 OK 19 99 - 19 - 61/3.9=7, 69/3.0=6...(5) HB3 HIS 3 - HB2 HIS 7 lone 1 100 - 1 - Peak 75 from cnoeabs.peaks (8.66, 3.11, 29.32 ppm; 5.57 A): 1 out of 4 assignments used, quality = 1.00: * H HIS 8 + HB2 HIS 7 OK 100 100 - 100 - 4.6=100 H HIS 67 - HB2 HIS 7 lone 2 100 - 2 - H SER 50 - HB2 HIS 7 lone 2 99 - 2 - H SER 60 - HB2 HIS 7 lone 1 65 - 2 - Peak 76 from cnoeabs.peaks (8.69, 3.15, 29.32 ppm; 4.31 A): 1 out of 3 assignments used, quality = 1.00: * H HIS 7 + HB3 HIS 7 OK 100 100 - 100 - 3.9=100 H PHE 89 - HB3 HIS 7 lone 1 73 - 1 - H LYS 39 - HB3 HIS 7 lone 1 73 - 1 - Peak 77 from cnoeabs.peaks (4.65, 3.15, 29.32 ppm; 2.96 A): 1 out of 3 assignments used, quality = 0.98: * HA HIS 7 + HB3 HIS 7 OK 98 100 - 98 - 3.0=96, 68/1.8=32...(5) HA HIS 6 - HB3 HIS 7 OK 15 73 - 21 - 57/3.9=7, 72/1.8=4, 55=3...(8) HA HIS 4 - HB3 HIS 7 OK 11 87 - 12 - 72/1.8=3, 3.0/78=2, 55=2...(5) Peak 78 from cnoeabs.peaks (3.11, 3.15, 29.32 ppm; 2.50 A): 1 out of 2 assignments used, quality = 1.00: * HB2 HIS 7 + HB3 HIS 7 OK 100 100 - 100 - 1.8=100 HB2 HIS 4 - HB3 HIS 7 lone 7 87 - 8 - 68/3.0=2, 3.0/77=1...(5) Peak 79 from cnoeabs.peaks (3.15, 3.15, 29.32 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 HIS 7 + HB3 HIS 7 OK 100 100 - 100 Peak 80 from cnoeabs.peaks (8.66, 3.15, 29.32 ppm; 4.50 A): 1 out of 4 assignments used, quality = 0.98: * H HIS 8 + HB3 HIS 7 OK 98 100 - 98 - 4.6=94, 6037/1.8=39, 6036/3.0=35 H HIS 67 - HB3 HIS 7 lone 1 100 - 1 - H SER 50 - HB3 HIS 7 lone 1 99 - 1 - H SER 60 - HB3 HIS 7 lone 1 65 - 1 - Peak 82 from cnoeabs.peaks (4.70, 4.70, 55.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA HIS 8 + HA HIS 8 OK 100 100 - 100 Peak 83 from cnoeabs.peaks (3.13, 4.70, 55.00 ppm; 3.15 A): 1 out of 3 assignments used, quality = 1.00: * HB2 HIS 8 + HA HIS 8 OK 100 100 - 100 - 2.9=100 HB3 TYR 76 - HA HIS 8 lone 4 96 - 4 - HB3 CYS 45 - HA HIS 8 lone 3 98 - 3 - Peak 84 from cnoeabs.peaks (3.21, 4.70, 55.00 ppm; 3.19 A): 1 out of 2 assignments used, quality = 1.00: * HB3 HIS 8 + HA HIS 8 OK 100 100 - 100 - 2.9=100 HB3 CYS 125 - HA HIS 8 lone 1 92 - 1 - Peak 85 from cnoeabs.peaks (8.49, 4.70, 55.00 ppm; 3.14 A): 1 out of 2 assignments used, quality = 0.78: * H SER 9 + HA HIS 8 OK 78 100 - 78 - 3.6=68, 6047/2.9=18, 6046/2.9=16 H LEU 100 - HA HIS 8 lone 1 100 - 1 - Peak 86 from cnoeabs.peaks (8.66, 3.13, 29.27 ppm; 4.92 A): 1 out of 4 assignments used, quality = 1.00: * H HIS 8 + HB2 HIS 8 OK 100 100 - 100 - 4.0=100 H SER 50 - HB2 HIS 8 lone 2 99 - 2 - H HIS 67 - HB2 HIS 8 lone 2 100 - 2 - H SER 60 - HB2 HIS 8 lone 1 65 - 1 - Peak 87 from cnoeabs.peaks (4.70, 3.13, 29.27 ppm; 3.68 A): 1 out of 2 assignments used, quality = 1.00: * HA HIS 8 + HB2 HIS 8 OK 100 100 - 100 - 2.9=100 HA HIS 10 - HB2 HIS 8 poor 8 73 - 11 - 6045/4.6=4, 92/1.8=3...(4) Peak 88 from cnoeabs.peaks (3.13, 3.13, 29.27 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 HIS 8 + HB2 HIS 8 OK 100 100 - 100 Peak 89 from cnoeabs.peaks (3.21, 3.13, 29.27 ppm; 2.50 A): 1 out of 2 assignments used, quality = 1.00: * HB3 HIS 8 + HB2 HIS 8 OK 100 100 - 100 - 1.8=100 HB3 CYS 125 - HB2 HIS 8 lone 1 92 - 1 - Peak 90 from cnoeabs.peaks (8.49, 3.13, 29.27 ppm; 4.93 A): 1 out of 2 assignments used, quality = 1.00: * H SER 9 + HB2 HIS 8 OK 100 100 - 100 - 4.6=100 H LEU 100 - HB2 HIS 8 lone 3 100 - 3 - 95/1.8=1 Peak 91 from cnoeabs.peaks (8.66, 3.21, 29.27 ppm; 5.92 A): 1 out of 4 assignments used, quality = 1.00: * H HIS 8 + HB3 HIS 8 OK 100 100 - 100 - 4.0=100 H SER 50 - HB3 HIS 8 lone 3 99 - 3 - H HIS 67 - HB3 HIS 8 lone 3 100 - 3 - H SER 60 - HB3 HIS 8 lone 1 65 - 2 - Peak 92 from cnoeabs.peaks (4.70, 3.21, 29.27 ppm; 3.76 A): 1 out of 2 assignments used, quality = 1.00: * HA HIS 8 + HB3 HIS 8 OK 100 100 - 100 - 2.9=100 HA HIS 10 - HB3 HIS 8 poor 8 73 - 11 - 6045/4.6=4, 87/1.8=3...(4) Peak 93 from cnoeabs.peaks (3.13, 3.21, 29.27 ppm; 2.50 A): 1 out of 3 assignments used, quality = 1.00: * HB2 HIS 8 + HB3 HIS 8 OK 100 100 - 100 - 1.8=100 HB3 CYS 45 - HB3 HIS 8 lone 2 98 - 2 - HB3 TYR 76 - HB3 HIS 8 lone 2 96 - 2 - Peak 94 from cnoeabs.peaks (3.21, 3.21, 29.27 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 HIS 8 + HB3 HIS 8 OK 100 100 - 100 Peak 95 from cnoeabs.peaks (8.49, 3.21, 29.27 ppm; 5.42 A): 1 out of 2 assignments used, quality = 1.00: * H SER 9 + HB3 HIS 8 OK 100 100 - 100 - 4.6=100 H LEU 100 - HB3 HIS 8 lone 4 100 - 4 - 90/1.8=2 Peak 96 from cnoeabs.peaks (8.49, 4.39, 58.30 ppm; 3.72 A): 1 out of 4 assignments used, quality = 1.00: * H SER 9 + HA SER 9 OK 100 100 - 100 - 3.0=100 H SER 9 - HA SER 33 OK 14 86 - 16 - 6048=6, 4.7/6054=1...(10) H LEU 100 - HA SER 9 OK 10 100 - 10 - ~3220=3, ~7409=2, ~7385=1 H LEU 100 - HA SER 33 lone 2 85 - 2 - Peak 97 from cnoeabs.peaks (4.39, 4.39, 58.30 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA SER 9 + HA SER 9 OK 100 100 - 100 HA SER 33 + HA SER 33 OK 82 82 - 100 Peak 98 from cnoeabs.peaks (3.80, 4.39, 58.30 ppm; 2.76 A): 2 out of 6 assignments used, quality = 0.97: * HB2 SER 9 + HA SER 9 OK 84 100 - 84 - 3.0=76, 4.5/6054=10...(7) HB3 SER 9 + HA SER 9 OK 84 100 - 84 - 3.0=76, 4.5/6054=10...(7) HB2 SER 9 - HA SER 33 lone 7 86 - 8 - 102=2, 4.0/6048=1, 1.8/107=1 HB3 SER 9 - HA SER 33 lone 7 85 - 8 - 107=2, 4.0/6048=1, 1.8/102=1 HA ARG 90 - HA SER 9 lone 1 57 - 2 - HA ARG 90 - HA SER 33 lone 0 43 - 1 - Peak 99 from cnoeabs.peaks (3.80, 4.39, 58.30 ppm; 2.76 A): 2 out of 4 assignments used, quality = 0.97: * HB3 SER 9 + HA SER 9 OK 84 100 - 84 - 3.0=76, 4.5/6054=10...(7) HB2 SER 9 + HA SER 9 OK 84 100 - 84 - 3.0=76, 4.5/6054=10...(7) HB3 SER 9 - HA SER 33 lone 7 86 - 8 - 107=2, 4.0/6048=1, 1.8/102=1 HB2 SER 9 - HA SER 33 lone 7 85 - 8 - 102=2, 4.0/6048=1, 1.8/107=1 Peak 100 from cnoeabs.peaks (8.71, 4.39, 58.30 ppm; 3.20 A): 1 out of 2 assignments used, quality = 0.81: * H HIS 10 + HA SER 9 OK 81 100 - 81 - 3.6=72, 6051/3.0=15...(5) H HIS 10 - HA SER 33 lone 6 86 - 7 - 6054=3, 4.7/6048=2 Peak 101 from cnoeabs.peaks (8.49, 3.80, 63.71 ppm; 3.88 A): 2 out of 4 assignments used, quality = 1.00: * H SER 9 + HB2 SER 9 OK 97 100 - 97 - 4.0=92, 6050/1.8=23...(6) H SER 9 + HB3 SER 9 OK 96 99 - 97 - 4.0=92, 6050/1.8=23...(6) H LEU 100 - HB2 SER 9 lone 4 100 - 4 - 96/3.0=2 H LEU 100 - HB3 SER 9 lone 4 99 - 4 - 96/3.0=2 Peak 102 from cnoeabs.peaks (4.39, 3.80, 63.71 ppm; 3.03 A): 2 out of 12 assignments used, quality = 1.00: * HA SER 9 + HB2 SER 9 OK 100 100 - 100 - 3.0=100 HA SER 9 + HB3 SER 9 OK 99 99 - 100 - 3.0=100 HA SER 33 - HB2 SER 9 lone 10 98 - 10 - 99=2, 6048/4.0=2, 99/1.8=1 HA SER 33 - HB3 SER 9 lone 10 97 - 10 - 99=2, 6048/4.0=2, 99/1.8=1 HA SER 107 - HB2 SER 9 lone 1 87 - 1 - HA SER 107 - HB3 SER 9 lone 1 85 - 1 - HA THR 115 - HB2 SER 9 lone 0 81 - 1 - HA THR 115 - HB3 SER 9 lone 0 79 - 1 - HA CYS 73 - HB2 SER 9 lone 0 65 - 1 - HA CYS 73 - HB3 SER 9 lone 0 64 - 1 - HA ASP 78 - HB2 SER 9 lone 0 57 - 0 - HA ASP 78 - HB3 SER 9 lone 0 56 - 0 - Peak 103 from cnoeabs.peaks (3.80, 3.80, 63.71 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 SER 9 + HB2 SER 9 OK 100 100 - 100 HB3 SER 9 + HB3 SER 9 OK 99 99 - 100 Peak 104 from cnoeabs.peaks (3.80, 3.80, 63.71 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB2 SER 9 + HB2 SER 9 OK 100 100 - 100 HB3 SER 9 + HB3 SER 9 OK 99 99 - 100 Reference assignment not found: HB3 SER 9 - HB2 SER 9 Peak 105 from cnoeabs.peaks (8.71, 3.80, 63.71 ppm; 4.47 A): 2 out of 2 assignments used, quality = 1.00: * H HIS 10 + HB2 SER 9 OK 100 100 - 100 - 4.5=99, 6054/3.0=41...(5) H HIS 10 + HB3 SER 9 OK 99 99 - 100 - 4.5=99, 6054/3.0=41...(5) Peak 106 from cnoeabs.peaks (8.49, 3.80, 63.71 ppm; 3.88 A): 2 out of 4 assignments used, quality = 1.00: * H SER 9 + HB3 SER 9 OK 97 100 - 97 - 4.0=92, 6050/1.8=23...(6) H SER 9 + HB2 SER 9 OK 96 99 - 97 - 4.0=92, 6050/1.8=23...(6) H LEU 100 - HB3 SER 9 lone 4 100 - 4 - 96/3.0=2 H LEU 100 - HB2 SER 9 lone 4 99 - 4 - 96/3.0=2 Peak 107 from cnoeabs.peaks (4.39, 3.80, 63.71 ppm; 3.03 A): 2 out of 12 assignments used, quality = 1.00: * HA SER 9 + HB3 SER 9 OK 100 100 - 100 - 3.0=100 HA SER 9 + HB2 SER 9 OK 99 99 - 100 - 3.0=100 HA SER 33 - HB3 SER 9 lone 10 98 - 10 - 99=2, 6048/4.0=2, 99/1.8=1 HA SER 33 - HB2 SER 9 lone 10 97 - 10 - 99=2, 6048/4.0=2, 99/1.8=1 HA SER 107 - HB3 SER 9 lone 1 87 - 1 - HA SER 107 - HB2 SER 9 lone 1 85 - 1 - HA THR 115 - HB3 SER 9 lone 0 81 - 1 - HA THR 115 - HB2 SER 9 lone 0 79 - 1 - HA CYS 73 - HB3 SER 9 lone 0 65 - 1 - HA CYS 73 - HB2 SER 9 lone 0 64 - 1 - HA ASP 78 - HB3 SER 9 lone 0 57 - 0 - HA ASP 78 - HB2 SER 9 lone 0 56 - 0 - Peak 108 from cnoeabs.peaks (3.80, 3.80, 63.71 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 SER 9 + HB3 SER 9 OK 100 100 - 100 HB2 SER 9 + HB2 SER 9 OK 99 99 - 100 Reference assignment not found: HB2 SER 9 - HB3 SER 9 Peak 109 from cnoeabs.peaks (3.80, 3.80, 63.71 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 SER 9 + HB3 SER 9 OK 100 100 - 100 HB2 SER 9 + HB2 SER 9 OK 99 99 - 100 Peak 110 from cnoeabs.peaks (8.71, 3.80, 63.71 ppm; 4.47 A): 2 out of 2 assignments used, quality = 1.00: * H HIS 10 + HB3 SER 9 OK 100 100 - 100 - 4.5=99, 6054/3.0=41...(5) H HIS 10 + HB2 SER 9 OK 99 99 - 100 - 4.5=99, 6054/3.0=41...(5) Peak 112 from cnoeabs.peaks (4.69, 4.69, 55.19 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA HIS 10 + HA HIS 10 OK 100 100 - 100 Peak 113 from cnoeabs.peaks (3.17, 4.69, 55.19 ppm; 3.17 A): 1 out of 6 assignments used, quality = 1.00: * HB2 HIS 10 + HA HIS 10 OK 100 100 - 100 - 3.0=100 HD2 ARG 90 - HA HIS 10 lone 6 98 - 6 - 6064/3.6=2, 6058/3.0=2 HD3 ARG 90 - HA HIS 10 lone 6 92 - 6 - 6064/3.6=1, 6058/3.0=1 HD3 ARG 23 - HA HIS 10 lone 2 87 - 2 - HD2 ARG 23 - HA HIS 10 lone 2 87 - 2 - HB3 HIS 6 - HA HIS 10 lone 0 65 - 1 - Peak 114 from cnoeabs.peaks (3.25, 4.69, 55.19 ppm; 3.69 A): 1 out of 2 assignments used, quality = 1.00: * HB3 HIS 10 + HA HIS 10 OK 100 100 - 100 - 3.0=100 HA VAL 93 - HA HIS 10 OK 13 96 - 14 - 119/3.0=3, ~7268=2...(7) Peak 115 from cnoeabs.peaks (8.41, 4.69, 55.19 ppm; 3.25 A): 1 out of 2 assignments used, quality = 0.86: * H MET 11 + HA HIS 10 OK 86 100 - 86 - 3.6=75, 6065/3.0=20...(4) H SER 74 - HA HIS 10 lone 3 87 - 3 - 125/3.0=1, 6060/3.0=1 Peak 116 from cnoeabs.peaks (8.71, 3.17, 28.77 ppm; 3.84 A): 1 out of 1 assignment used, quality = 0.93: * H HIS 10 + HB2 HIS 10 OK 93 100 - 93 - 4.0=87, 6059/1.8=34, 6062/4.7=17 Peak 117 from cnoeabs.peaks (4.69, 3.17, 28.77 ppm; 3.15 A): 1 out of 2 assignments used, quality = 1.00: * HA HIS 10 + HB2 HIS 10 OK 100 100 - 100 - 3.0=100 HA HIS 8 - HB2 HIS 10 lone 4 73 - 5 - 6057/4.0=2, 122/1.8=1 Peak 118 from cnoeabs.peaks (3.17, 3.17, 28.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 HIS 10 + HB2 HIS 10 OK 100 100 - 100 Peak 119 from cnoeabs.peaks (3.25, 3.17, 28.77 ppm; 2.50 A): 1 out of 2 assignments used, quality = 1.00: * HB3 HIS 10 + HB2 HIS 10 OK 100 100 - 100 - 1.8=100 HA VAL 93 - HB2 HIS 10 lone 7 96 - 7 - 114/3.0=1, ~7268=1...(4) Peak 120 from cnoeabs.peaks (8.41, 3.17, 28.77 ppm; 5.17 A): 1 out of 2 assignments used, quality = 1.00: * H MET 11 + HB2 HIS 10 OK 100 100 - 100 - 4.7=100 H SER 74 - HB2 HIS 10 lone 7 87 - 8 - 125/1.8=3, 6060/4.0=2, 115/3.0=2 Peak 121 from cnoeabs.peaks (8.71, 3.25, 28.77 ppm; 4.23 A): 1 out of 1 assignment used, quality = 1.00: * H HIS 10 + HB3 HIS 10 OK 100 100 - 100 - 4.0=100 Peak 122 from cnoeabs.peaks (4.69, 3.25, 28.77 ppm; 3.36 A): 1 out of 2 assignments used, quality = 1.00: * HA HIS 10 + HB3 HIS 10 OK 100 100 - 100 - 3.0=100 HA HIS 8 - HB3 HIS 10 lone 5 73 - 6 - 6057/4.0=2, 117/1.8=2 Peak 123 from cnoeabs.peaks (3.17, 3.25, 28.77 ppm; 2.50 A): 1 out of 6 assignments used, quality = 1.00: * HB2 HIS 10 + HB3 HIS 10 OK 100 100 - 100 - 1.8=100 HD2 ARG 90 - HB3 HIS 10 lone 3 98 - 3 - HD3 ARG 90 - HB3 HIS 10 lone 3 92 - 3 - HD3 ARG 23 - HB3 HIS 10 lone 1 87 - 1 - HD2 ARG 23 - HB3 HIS 10 lone 1 87 - 1 - HB3 HIS 6 - HB3 HIS 10 lone 0 65 - 0 - Peak 124 from cnoeabs.peaks (3.25, 3.25, 28.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 HIS 10 + HB3 HIS 10 OK 100 100 - 100 Peak 125 from cnoeabs.peaks (8.41, 3.25, 28.77 ppm; 4.52 A): 1 out of 2 assignments used, quality = 0.98: * H MET 11 + HB3 HIS 10 OK 98 100 - 98 - 4.7=92, 6063/3.0=46...(4) H SER 74 - HB3 HIS 10 lone 7 87 - 7 - 120/1.8=2, 6060/4.0=2...(4) Peak 126 from cnoeabs.peaks (8.41, 4.42, 55.13 ppm; 3.15 A): 1 out of 2 assignments used, quality = 1.00: * H MET 11 + HA MET 11 OK 100 100 - 100 - 2.9=100 H SER 74 - HA MET 11 lone 7 87 - 8 - 7004=2, 133/3.0=1...(4) Peak 127 from cnoeabs.peaks (4.42, 4.42, 55.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA MET 11 + HA MET 11 OK 100 100 - 100 Peak 128 from cnoeabs.peaks (1.92, 4.42, 55.13 ppm; 3.61 A): 1 out of 4 assignments used, quality = 1.00: * HB2 MET 11 + HA MET 11 OK 100 100 - 100 - 3.0=100 HG2 PRO 113 - HA MET 11 OK 23 65 - 35 - 2.3/3566=6, 2.3/3568=6...(13) HB3 LEU 49 - HA MET 11 lone 8 81 - 10 - 6067/2.9=1, 149/4.0=1...(4) HB3 LEU 123 - HA MET 11 lone 2 35 - 4 - Peak 129 from cnoeabs.peaks (2.02, 4.42, 55.13 ppm; 3.21 A): 1 out of 7 assignments used, quality = 1.00: * HB3 MET 11 + HA MET 11 OK 100 100 - 100 - 3.0=100 HB VAL 63 - HA MET 11 OK 33 100 - 33 - ~10651=10, 136/3.0=6...(9) HG2 ARG 90 - HA MET 11 lone 8 100 - 8 - 6068/2.9=2, 136/3.0=1 HB2 GLN 134 - HA MET 11 lone 5 99 - 4 - HG2 PRO 58 - HA MET 11 lone 4 96 - 4 - HB3 GLU 30 - HA MET 11 lone 3 98 - 3 - HB2 GLU 44 - HA MET 11 lone 3 100 - 3 - Peak 130 from cnoeabs.peaks (2.47, 4.42, 55.13 ppm; 4.00 A): 1 out of 3 assignments used, quality = 1.00: * HG2 MET 11 + HA MET 11 OK 100 100 - 100 - 4.0=100 HG2 GLU 55 - HA MET 11 OK 18 100 - 17 - 144/3.0=4, 6069/2.9=4...(6) HG3 GLN 104 - HA MET 11 lone 6 81 - 7 - 144/3.0=2, 137/3.0=1...(4) Peak 131 from cnoeabs.peaks (2.52, 4.42, 55.13 ppm; 4.53 A): 1 out of 2 assignments used, quality = 1.00: * HG3 MET 11 + HA MET 11 OK 100 100 - 100 - 4.0=100 HG3 GLU 102 - HA MET 11 OK 38 100 - 38 - 145/3.0=10, 138/3.0=10...(6) Peak 132 from cnoeabs.peaks (8.44, 4.42, 55.13 ppm; 2.69 A): 2 out of 3 assignments used, quality = 0.65: * H ALA 12 + HA MET 11 OK 60 100 - 60 - 3.6=43, 6075/3.0=11...(5) H ASN 13 + HA MET 11 OK 13 73 - 18 - 4.3/6074=10, 6085/4.6=4...(4) H ASN 116 - HA MET 11 lone 4 99 - 4 - 10199/5.1=2, 139/3.0=1 Peak 133 from cnoeabs.peaks (8.41, 1.92, 32.84 ppm; 3.82 A): 1 out of 2 assignments used, quality = 0.95: * H MET 11 + HB2 MET 11 OK 95 100 - 95 - 4.0=84, 140/1.8=33...(5) H SER 74 - HB2 MET 11 lone 7 87 - 7 - 140/1.8=3, 7004/3.0=2, 154/2.9=2 Peak 134 from cnoeabs.peaks (4.42, 1.92, 32.84 ppm; 3.99 A): 1 out of 5 assignments used, quality = 1.00: * HA MET 11 + HB2 MET 11 OK 100 100 - 100 - 3.0=100 HA VAL 112 - HB2 MET 11 OK 32 100 - 32 - 11494=8, 141/1.8=6...(13) HA ASN 120 - HB2 MET 11 OK 14 99 - 14 - 141/1.8=4, 155/2.9=3...(5) HA THR 54 - HB2 MET 11 OK 13 100 - 13 - 141/1.8=3, 148/2.9=3...(5) HA ASP 71 - HB2 MET 11 OK 10 81 - 13 - 141/1.8=2, 2281/4.0=2...(8) Peak 135 from cnoeabs.peaks (1.92, 1.92, 32.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 MET 11 + HB2 MET 11 OK 100 100 - 100 Peak 136 from cnoeabs.peaks (2.02, 1.92, 32.84 ppm; 2.50 A): 1 out of 7 assignments used, quality = 1.00: * HB3 MET 11 + HB2 MET 11 OK 100 100 - 100 - 1.8=100 HB VAL 63 - HB2 MET 11 OK 28 100 - 29 - ~10651=9, ~9401=4...(9) HG2 ARG 90 - HB2 MET 11 lone 5 100 - 4 - HB2 GLN 134 - HB2 MET 11 lone 3 99 - 3 - HG2 PRO 58 - HB2 MET 11 lone 3 96 - 2 - HB2 GLU 44 - HB2 MET 11 lone 2 100 - 2 - HB3 GLU 30 - HB2 MET 11 lone 2 98 - 2 - Peak 137 from cnoeabs.peaks (2.47, 1.92, 32.84 ppm; 6.76 A): 2 out of 3 assignments used, quality = 1.00: * HG2 MET 11 + HB2 MET 11 OK 100 100 - 100 - 2.9=100 HG2 GLU 55 + HB2 MET 11 OK 46 100 - 46 - 144/1.8=12, ~1712=9...(8) HG3 GLN 104 - HB2 MET 11 OK 24 81 - 29 - 144/1.8=6, ~3427=4...(9) Peak 138 from cnoeabs.peaks (2.52, 1.92, 32.84 ppm; 4.17 A): 1 out of 2 assignments used, quality = 1.00: * HG3 MET 11 + HB2 MET 11 OK 100 100 - 100 - 2.9=100 HG3 GLU 102 - HB2 MET 11 OK 41 100 - 41 - 145/1.8=11, 131/3.0=7...(9) Peak 139 from cnoeabs.peaks (8.44, 1.92, 32.84 ppm; 3.88 A): 3 out of 3 assignments used, quality = 0.92: * H ALA 12 + HB2 MET 11 OK 89 100 - 89 - 4.4=67, 6074/3.0=35...(5) H ASN 13 + HB2 MET 11 OK 21 73 - 29 - 4.3/6075=18, 146/1.8=7 H ASN 116 + HB2 MET 11 OK 11 99 - 11 - 10199/4.2=5, 146/1.8=3 Peak 140 from cnoeabs.peaks (8.41, 2.02, 32.84 ppm; 3.95 A): 1 out of 2 assignments used, quality = 0.98: * H MET 11 + HB3 MET 11 OK 98 100 - 98 - 4.0=93, 6067/1.8=40...(5) H SER 74 - HB3 MET 11 lone 7 87 - 8 - 133/1.8=3, 7004/3.0=3, 154/2.9=2 Peak 141 from cnoeabs.peaks (4.42, 2.02, 32.84 ppm; 3.93 A): 1 out of 5 assignments used, quality = 1.00: * HA MET 11 + HB3 MET 11 OK 100 100 - 100 - 3.0=100 HA VAL 112 - HB3 MET 11 OK 24 100 - 24 - 11494/1.8=7, 155/2.9=3...(10) HA ASN 120 - HB3 MET 11 OK 15 99 - 15 - 134/1.8=3, 155/2.9=3...(6) HA THR 54 - HB3 MET 11 OK 13 100 - 12 - 134/1.8=3, 148/2.9=3...(5) HA ASP 71 - HB3 MET 11 poor 10 81 - 12 - 134/1.8=2, 2281/4.0=2...(8) Peak 142 from cnoeabs.peaks (1.92, 2.02, 32.84 ppm; 2.50 A): 1 out of 4 assignments used, quality = 1.00: * HB2 MET 11 + HB3 MET 11 OK 100 100 - 100 - 1.8=100 HG2 PRO 113 - HB3 MET 11 poor 9 65 - 14 - 128/3.0=2, 156/2.9=1...(6) HB3 LEU 49 - HB3 MET 11 lone 4 81 - 5 - HB3 LEU 123 - HB3 MET 11 lone 0 35 - 1 - Peak 143 from cnoeabs.peaks (2.02, 2.02, 32.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 MET 11 + HB3 MET 11 OK 100 100 - 100 Peak 144 from cnoeabs.peaks (2.47, 2.02, 32.84 ppm; 5.37 A): 1 out of 3 assignments used, quality = 1.00: * HG2 MET 11 + HB3 MET 11 OK 100 100 - 100 - 2.9=100 HG2 GLU 55 - HB3 MET 11 OK 37 100 - 36 - 137/1.8=7, 130/3.0=6...(8) HG3 GLN 104 - HB3 MET 11 OK 19 81 - 23 - 137/1.8=4, ~3427=3...(10) Peak 145 from cnoeabs.peaks (2.52, 2.02, 32.84 ppm; 4.16 A): 1 out of 2 assignments used, quality = 1.00: * HG3 MET 11 + HB3 MET 11 OK 100 100 - 100 - 2.9=100 HG3 GLU 102 - HB3 MET 11 OK 41 100 - 41 - 138/1.8=11, 131/3.0=7...(9) Peak 146 from cnoeabs.peaks (8.44, 2.02, 32.84 ppm; 3.89 A): 3 out of 3 assignments used, quality = 0.93: * H ALA 12 + HB3 MET 11 OK 90 100 - 90 - 4.4=67, 6074/3.0=35...(6) H ASN 13 + HB3 MET 11 OK 23 73 - 31 - 4.3/6076=16, 132/3.0=7...(4) H ASN 116 + HB3 MET 11 OK 11 99 - 11 - 10199/4.2=5, 139/1.8=3 Peak 148 from cnoeabs.peaks (4.42, 2.47, 31.70 ppm; 4.68 A): 1 out of 5 assignments used, quality = 1.00: * HA MET 11 + HG2 MET 11 OK 100 100 - 100 - 4.0=100 HA VAL 112 - HG2 MET 11 OK 24 100 - 24 - 11494/2.9=8, 141/2.9=6...(5) HA THR 54 - HG2 MET 11 OK 19 100 - 19 - 3.6/6694=7, 155/1.8=3...(6) HA ASN 120 - HG2 MET 11 OK 18 99 - 18 - 155/1.8=4, 141/2.9=4...(7) HA ASP 71 - HG2 MET 11 poor 9 81 - 11 - 141/2.9=2, 134/2.9=2...(5) Peak 149 from cnoeabs.peaks (1.92, 2.47, 31.70 ppm; 3.88 A): 1 out of 4 assignments used, quality = 1.00: * HB2 MET 11 + HG2 MET 11 OK 100 100 - 100 - 2.9=100 HG2 PRO 113 - HG2 MET 11 OK 13 65 - 21 - 128/4.0=4, 156/1.8=4...(9) HB3 LEU 49 - HG2 MET 11 poor 9 81 - 10 - 156/1.8=3, 142/2.9=2...(4) HB3 LEU 123 - HG2 MET 11 lone 0 35 - 1 - Peak 150 from cnoeabs.peaks (2.02, 2.47, 31.70 ppm; 3.97 A): 2 out of 7 assignments used, quality = 1.00: * HB3 MET 11 + HG2 MET 11 OK 100 100 - 100 - 2.9=100 HB VAL 63 + HG2 MET 11 OK 58 100 - 58 - 2.1/9401=21, ~10651=17...(9) HG2 ARG 90 - HG2 MET 11 OK 10 100 - 10 - 157/1.8=2, 6068/4.9=2...(4) HB2 GLN 134 - HG2 MET 11 lone 6 99 - 6 - 157/1.8=1 HG2 PRO 58 - HG2 MET 11 lone 6 96 - 6 - 157/1.8=1 HB2 GLU 44 - HG2 MET 11 lone 5 100 - 4 - 157/1.8=1 HB3 GLU 30 - HG2 MET 11 lone 5 98 - 4 - Peak 151 from cnoeabs.peaks (2.47, 2.47, 31.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 MET 11 + HG2 MET 11 OK 100 100 - 100 Peak 152 from cnoeabs.peaks (2.52, 2.47, 31.70 ppm; 2.50 A): 1 out of 2 assignments used, quality = 1.00: * HG3 MET 11 + HG2 MET 11 OK 100 100 - 100 - 1.8=100 HG3 GLU 102 - HG2 MET 11 OK 14 100 - 14 - 145/2.9=3, 138/2.9=3...(7) Peak 154 from cnoeabs.peaks (8.41, 2.52, 31.70 ppm; 4.81 A): 1 out of 2 assignments used, quality = 0.99: * H MET 11 + HG3 MET 11 OK 99 100 - 99 - 4.9=94, 6069/1.8=41...(5) H SER 74 - HG3 MET 11 lone 9 87 - 10 - 7004/4.0=3, 140/2.9=3, 133/2.9=3 Peak 155 from cnoeabs.peaks (4.42, 2.52, 31.70 ppm; 4.69 A): 1 out of 5 assignments used, quality = 1.00: * HA MET 11 + HG3 MET 11 OK 100 100 - 100 - 4.0=100 HA VAL 112 - HG3 MET 11 OK 24 100 - 24 - 11494/2.9=8, 141/2.9=6...(5) HA ASN 120 - HG3 MET 11 OK 19 99 - 19 - 148/1.8=4, 141/2.9=4...(7) HA THR 54 - HG3 MET 11 OK 14 100 - 14 - 148/1.8=4, 141/2.9=3...(5) HA ASP 71 - HG3 MET 11 poor 10 81 - 12 - 141/2.9=2, 134/2.9=2...(5) Peak 156 from cnoeabs.peaks (1.92, 2.52, 31.70 ppm; 3.72 A): 1 out of 4 assignments used, quality = 1.00: * HB2 MET 11 + HG3 MET 11 OK 100 100 - 100 - 2.9=100 HG2 PRO 113 - HG3 MET 11 OK 13 65 - 19 - 128/4.0=4, 149/1.8=4...(9) HB3 LEU 49 - HG3 MET 11 lone 8 81 - 10 - 149/1.8=3, 142/2.9=2...(4) HB3 LEU 123 - HG3 MET 11 lone 0 35 - 1 - Peak 157 from cnoeabs.peaks (2.02, 2.52, 31.70 ppm; 3.66 A): 2 out of 7 assignments used, quality = 1.00: * HB3 MET 11 + HG3 MET 11 OK 100 100 - 100 - 2.9=100 HB VAL 63 + HG3 MET 11 OK 50 100 - 50 - ~9401=15, ~10651=14...(9) HG2 ARG 90 - HG3 MET 11 lone 8 100 - 8 - 150/1.8=2, 6068/4.9=2...(4) HB2 GLN 134 - HG3 MET 11 lone 5 99 - 5 - 150/1.8=1 HG2 PRO 58 - HG3 MET 11 lone 5 96 - 5 - 150/1.8=1 HB2 GLU 44 - HG3 MET 11 lone 4 100 - 4 - HB3 GLU 30 - HG3 MET 11 lone 4 98 - 4 - Peak 158 from cnoeabs.peaks (2.47, 2.52, 31.70 ppm; 2.50 A): 1 out of 3 assignments used, quality = 1.00: * HG2 MET 11 + HG3 MET 11 OK 100 100 - 100 - 1.8=100 HG2 GLU 55 - HG3 MET 11 lone 10 100 - 10 - 1723/3.3=1, ~1730=1...(6) HG3 GLN 104 - HG3 MET 11 lone 4 81 - 5 - Peak 159 from cnoeabs.peaks (2.52, 2.52, 31.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 MET 11 + HG3 MET 11 OK 100 100 - 100 Peak 161 from cnoeabs.peaks (8.44, 4.28, 52.39 ppm; 2.70 A): 2 out of 6 assignments used, quality = 0.91: * H ALA 12 + HA ALA 12 OK 86 100 - 86 - 3.0=76, 6080/2.1=27...(6) H ASN 13 + HA ALA 12 OK 37 73 - 51 - 3.6=43, 6085/2.1=11...(4) H ASN 116 - HA ALA 12 lone 4 99 - 4 - 5.5/10212=1, ~3649=1 H ALA 12 - HA ALA 21 lone 1 56 - 2 - H ASN 13 - HA ALA 21 lone 0 34 - 1 - H ASN 116 - HA ALA 21 lone 0 55 - 0 - Peak 162 from cnoeabs.peaks (4.28, 4.28, 52.39 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA ALA 12 + HA ALA 12 OK 100 100 - 100 HA ALA 21 + HA ALA 21 OK 47 47 - 100 Peak 163 from cnoeabs.peaks (1.36, 4.28, 52.39 ppm; 2.50 A): 1 out of 4 assignments used, quality = 1.00: * QB ALA 12 + HA ALA 12 OK 100 100 - 100 - 2.1=100 HG2 LYS 19 - HA ALA 12 lone 4 92 - 5 - 6085/3.6=2 QB ALA 12 - HA ALA 21 lone 1 56 - 2 - HG2 LYS 19 - HA ALA 21 lone 0 47 - 0 - Peak 164 from cnoeabs.peaks (8.44, 4.28, 52.39 ppm; 2.70 A): 2 out of 10 assignments used, quality = 0.83: H ALA 12 + HA ALA 12 OK 61 73 - 84 - 3.0=76, 6080/2.1=15...(6) * H ASN 13 + HA ALA 12 OK 55 100 - 55 - 3.6=43, 6085/2.1=19...(4) H ASN 116 - HA ALA 12 lone 2 57 - 4 - 5.5/10212=1, ~3649=1 H ASN 13 - HA ALA 21 lone 1 56 - 2 - H ALA 12 - HA ALA 21 lone 0 34 - 1 - H VAL 93 - HA ALA 12 lone 0 99 - 0 - H ALA 34 - HA ALA 12 lone 0 92 - 0 - H VAL 93 - HA ALA 21 lone 0 55 - 0 - H ASN 116 - HA ALA 21 lone 0 26 - 0 - H ALA 34 - HA ALA 21 lone 0 47 - 0 - Peak 165 from cnoeabs.peaks (8.44, 1.36, 18.84 ppm; 2.91 A): 2 out of 3 assignments used, quality = 0.99: * H ALA 12 + QB ALA 12 OK 99 100 - 99 - 2.9=98, 161/2.1=22...(8) H ASN 13 + QB ALA 12 OK 49 73 - 67 - 3.7=49, 6084/2.1=15...(7) H ASN 116 - QB ALA 12 lone 4 99 - 4 - ~3649=1, 161/2.1=1 Peak 166 from cnoeabs.peaks (4.28, 1.36, 18.84 ppm; 2.50 A): 1 out of 15 assignments used, quality = 1.00: * HA ALA 12 + QB ALA 12 OK 100 100 - 100 - 2.1=100 HA THR 18 - QB ALA 12 OK 14 81 - 17 - 3.0/10683=5, 10686=4...(5) HA ARG 23 - QB ALA 12 lone 3 100 - 3 - HA ALA 15 - QB ALA 12 lone 2 100 - 2 - HA ALA 21 - QB ALA 12 lone 2 92 - 2 - HA THR 25 - QB ALA 12 lone 1 87 - 1 - HA ALA 110 - QB ALA 12 lone 1 100 - 1 - HA GLN 61 - QB ALA 12 lone 1 96 - 1 - HA LEU 22 - QB ALA 12 lone 0 73 - 1 - HA SER 74 - QB ALA 12 lone 0 87 - 0 - HA LYS 31 - QB ALA 12 lone 0 73 - 0 - HA ALA 109 - QB ALA 12 lone 0 73 - 0 - HA LYS 36 - QB ALA 12 lone 0 57 - 0 - HA ALA 108 - QB ALA 12 lone 0 73 - 0 - HA ALA 16 - QB ALA 12 lone 0 65 - 0 - Peak 167 from cnoeabs.peaks (1.36, 1.36, 18.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 12 + QB ALA 12 OK 100 100 - 100 Peak 168 from cnoeabs.peaks (8.44, 1.36, 18.84 ppm; 2.91 A): 2 out of 5 assignments used, quality = 0.92: H ALA 12 + QB ALA 12 OK 72 73 - 99 - 2.9=98, 164/2.1=16...(8) * H ASN 13 + QB ALA 12 OK 71 100 - 71 - 3.7=49, 6084/2.1=26...(7) H ASN 116 - QB ALA 12 lone 2 57 - 3 - ~3649=1 H VAL 93 - QB ALA 12 lone 1 99 - 1 - H ALA 34 - QB ALA 12 lone 0 92 - 0 - Peak 169 from cnoeabs.peaks (8.44, 4.66, 53.15 ppm; 3.90 A): 1 out of 5 assignments used, quality = 1.00: * H ASN 13 + HA ASN 13 OK 100 100 - 100 - 3.0=100 H ALA 12 - HA ASN 13 OK 38 73 - 51 - ~6085=12, ~6084=11...(9) H VAL 93 - HA ASN 13 lone 3 99 - 2 - H ALA 34 - HA ASN 13 lone 1 92 - 2 - H ASN 116 - HA ASN 13 lone 1 57 - 1 - Peak 170 from cnoeabs.peaks (4.66, 4.66, 53.15 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASN 13 + HA ASN 13 OK 100 100 - 100 Peak 171 from cnoeabs.peaks (2.81, 4.66, 53.15 ppm; 3.14 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ASN 13 + HA ASN 13 OK 100 100 - 100 - 3.0=100 HB3 ASP 71 - HA ASN 13 OK 13 100 - 13 - 6087/3.0=3, ~11120=2...(7) HB3 ASN 85 - HA ASN 13 lone 3 73 - 4 - Peak 172 from cnoeabs.peaks (2.77, 4.66, 53.15 ppm; 3.08 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASN 13 + HA ASN 13 OK 100 100 - 100 - 3.0=100 HB2 ASP 131 - HA ASN 13 lone 10 100 - 9 - 6088/3.0=2, 179/3.0=2...(6) Peak 175 from cnoeabs.peaks (8.37, 4.66, 53.15 ppm; 3.37 A): 1 out of 3 assignments used, quality = 0.93: * H GLY 14 + HA ASN 13 OK 93 100 - 93 - 3.6=84, 6091/3.0=23...(5) H LYS 24 - HA ASN 13 lone 7 98 - 7 - 6091/3.0=2, 182/3.0=2...(4) H LYS 26 - HA ASN 13 lone 4 96 - 4 - 6091/3.0=1, 189/3.0=1, 182/3.0=1 Peak 176 from cnoeabs.peaks (8.44, 2.81, 38.79 ppm; 3.65 A): 2 out of 5 assignments used, quality = 0.89: * H ASN 13 + HB2 ASN 13 OK 86 100 - 86 - 4.1=71, 6088/1.8=39, 6091/4.5=17 H ALA 12 + HB2 ASN 13 OK 21 73 - 29 - 4.3/6087=18, 169/3.0=7 H VAL 93 - HB2 ASN 13 lone 2 99 - 2 - H ALA 34 - HB2 ASN 13 lone 1 92 - 1 - H ASN 116 - HB2 ASN 13 lone 1 57 - 1 - Peak 177 from cnoeabs.peaks (4.66, 2.81, 38.79 ppm; 3.44 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 13 + HB2 ASN 13 OK 100 100 - 100 - 3.0=100 HA PRO 56 - HB2 ASN 13 lone 4 87 - 5 - 184/1.8=2 Peak 178 from cnoeabs.peaks (2.81, 2.81, 38.79 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 13 + HB2 ASN 13 OK 100 100 - 100 Peak 179 from cnoeabs.peaks (2.77, 2.81, 38.79 ppm; 2.50 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASN 13 + HB2 ASN 13 OK 100 100 - 100 - 1.8=100 HB2 ASP 131 - HB2 ASN 13 lone 7 100 - 7 - 172/3.0=1, ~4204=1 Peak 180 from cnoeabs.peaks (7.60, 2.81, 38.79 ppm; 4.24 A): 1 out of 2 assignments used, quality = 1.00: * HD21 ASN 13 + HB2 ASN 13 OK 100 100 - 100 - 3.5=100 HD21 ASN 120 - HB2 ASN 13 lone 1 87 - 2 - Peak 181 from cnoeabs.peaks (6.90, 2.81, 38.79 ppm; 5.25 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 13 + HB2 ASN 13 OK 100 100 - 100 - 3.5=100 Peak 182 from cnoeabs.peaks (8.37, 2.81, 38.79 ppm; 4.61 A): 1 out of 3 assignments used, quality = 1.00: * H GLY 14 + HB2 ASN 13 OK 100 100 - 100 - 4.5=100 H LYS 24 - HB2 ASN 13 OK 13 98 - 13 - 189/1.8=4, 175/3.0=3...(4) H LYS 26 - HB2 ASN 13 lone 7 96 - 7 - 189/1.8=3, 175/3.0=2, 6091/4.1=2 Peak 183 from cnoeabs.peaks (8.44, 2.77, 38.79 ppm; 3.97 A): 1 out of 5 assignments used, quality = 0.97: * H ASN 13 + HB3 ASN 13 OK 97 100 - 97 - 4.1=92, 6087/1.8=39...(4) H ALA 12 - HB3 ASN 13 OK 26 73 - 35 - 4.3/6088=23, 176/1.8=8 H VAL 93 - HB3 ASN 13 lone 2 99 - 2 - H ALA 34 - HB3 ASN 13 lone 1 92 - 1 - H ASN 116 - HB3 ASN 13 lone 1 57 - 1 - Peak 184 from cnoeabs.peaks (4.66, 2.77, 38.79 ppm; 3.41 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 13 + HB3 ASN 13 OK 100 100 - 100 - 3.0=100 HA PRO 56 - HB3 ASN 13 lone 4 87 - 5 - 177/1.8=2 Peak 185 from cnoeabs.peaks (2.81, 2.77, 38.79 ppm; 2.50 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ASN 13 + HB3 ASN 13 OK 100 100 - 100 - 1.8=100 HB3 ASP 71 - HB3 ASN 13 lone 7 100 - 7 - 171/3.0=2, ~2288=1, 6087/4.1=1 HB3 ASN 85 - HB3 ASN 13 lone 2 73 - 2 - Peak 186 from cnoeabs.peaks (2.77, 2.77, 38.79 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 13 + HB3 ASN 13 OK 100 100 - 100 Peak 187 from cnoeabs.peaks (7.60, 2.77, 38.79 ppm; 4.48 A): 1 out of 2 assignments used, quality = 1.00: * HD21 ASN 13 + HB3 ASN 13 OK 100 100 - 100 - 3.5=100 HD21 ASN 120 - HB3 ASN 13 lone 2 87 - 2 - Peak 188 from cnoeabs.peaks (6.90, 2.77, 38.79 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 13 + HB3 ASN 13 OK 100 100 - 100 - 3.5=100 Peak 189 from cnoeabs.peaks (8.37, 2.77, 38.79 ppm; 5.12 A): 1 out of 3 assignments used, quality = 1.00: * H GLY 14 + HB3 ASN 13 OK 100 100 - 100 - 4.5=100 H LYS 24 - HB3 ASN 13 OK 15 98 - 15 - 182/1.8=5, 5.1/10656=3...(4) H LYS 26 - HB3 ASN 13 lone 10 96 - 10 - 182/1.8=3, 6091/4.1=2...(4) Peak 190 from cnoeabs.peaks (8.37, 3.92, 45.20 ppm; 3.04 A): 2 out of 6 assignments used, quality = 1.00: * H GLY 14 + HA2 GLY 14 OK 100 100 - 100 - 3.0=100 H GLY 14 + HA3 GLY 14 OK 99 99 - 100 - 3.0=100 H LYS 24 - HA2 GLY 14 lone 4 98 - 4 - 6115/3.6=3 H LYS 24 - HA3 GLY 14 lone 4 97 - 4 - 6115/3.6=3 H LYS 26 - HA2 GLY 14 lone 2 96 - 2 - H LYS 26 - HA3 GLY 14 lone 2 94 - 2 - Peak 191 from cnoeabs.peaks (3.92, 3.92, 45.20 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA2 GLY 14 + HA2 GLY 14 OK 100 100 - 100 HA3 GLY 14 + HA3 GLY 14 OK 99 99 - 100 Peak 192 from cnoeabs.peaks (3.92, 3.92, 45.20 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HA2 GLY 14 + HA2 GLY 14 OK 100 100 - 100 HA3 GLY 14 + HA3 GLY 14 OK 99 99 - 100 Reference assignment not found: HA3 GLY 14 - HA2 GLY 14 Peak 193 from cnoeabs.peaks (8.14, 3.92, 45.20 ppm; 3.20 A): 2 out of 10 assignments used, quality = 0.97: * H ALA 15 + HA2 GLY 14 OK 84 100 - 84 - 3.6=73, 6117/1.8=19...(7) H ALA 15 + HA3 GLY 14 OK 84 99 - 84 - 3.6=73, 6116/1.8=19...(7) H ASP 71 - HA2 GLY 14 lone 2 92 - 2 - 6113/3.0=1 H ASP 71 - HA3 GLY 14 lone 2 90 - 2 - 6113/3.0=1 H ILE 32 - HA2 GLY 14 lone 2 99 - 2 - H ILE 32 - HA3 GLY 14 lone 2 98 - 2 - H LEU 22 - HA2 GLY 14 lone 1 87 - 2 - H LEU 22 - HA3 GLY 14 lone 1 85 - 2 - H VAL 133 - HA2 GLY 14 lone 1 98 - 1 - H VAL 133 - HA3 GLY 14 lone 1 97 - 1 - Peak 194 from cnoeabs.peaks (8.37, 3.92, 45.20 ppm; 3.04 A): 2 out of 6 assignments used, quality = 1.00: * H GLY 14 + HA3 GLY 14 OK 100 100 - 100 - 3.0=100 H GLY 14 + HA2 GLY 14 OK 99 99 - 100 - 3.0=100 H LYS 24 - HA3 GLY 14 lone 4 98 - 4 - 6115/3.6=3 H LYS 24 - HA2 GLY 14 lone 4 97 - 4 - 6115/3.6=3 H LYS 26 - HA3 GLY 14 lone 2 96 - 2 - H LYS 26 - HA2 GLY 14 lone 2 94 - 2 - Peak 195 from cnoeabs.peaks (3.92, 3.92, 45.20 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HA3 GLY 14 + HA3 GLY 14 OK 100 100 - 100 HA2 GLY 14 + HA2 GLY 14 OK 99 99 - 100 Reference assignment not found: HA2 GLY 14 - HA3 GLY 14 Peak 196 from cnoeabs.peaks (3.92, 3.92, 45.20 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA3 GLY 14 + HA3 GLY 14 OK 100 100 - 100 HA2 GLY 14 + HA2 GLY 14 OK 99 99 - 100 Peak 197 from cnoeabs.peaks (8.14, 3.92, 45.20 ppm; 3.20 A): 2 out of 10 assignments used, quality = 0.97: * H ALA 15 + HA3 GLY 14 OK 84 100 - 84 - 3.6=73, 6116/1.8=19...(7) H ALA 15 + HA2 GLY 14 OK 84 99 - 84 - 3.6=73, 6117/1.8=19...(7) H ASP 71 - HA3 GLY 14 lone 2 92 - 2 - 6113/3.0=1 H ASP 71 - HA2 GLY 14 lone 2 90 - 2 - 6113/3.0=1 H ILE 32 - HA3 GLY 14 lone 2 99 - 2 - H ILE 32 - HA2 GLY 14 lone 2 98 - 2 - H LEU 22 - HA3 GLY 14 lone 1 87 - 2 - H LEU 22 - HA2 GLY 14 lone 1 85 - 2 - H VAL 133 - HA3 GLY 14 lone 1 98 - 1 - H VAL 133 - HA2 GLY 14 lone 1 97 - 1 - Peak 198 from cnoeabs.peaks (8.14, 4.28, 52.50 ppm; 2.65 A): 2 out of 10 assignments used, quality = 0.78: * H ALA 15 + HA ALA 15 OK 75 100 - 75 - 3.0=72, 4.6/201=8, 4.6/11760=2 H LEU 22 + HA ALA 21 OK 12 22 - 57 - 3.6=41, 6186/2.1=17, 6184/3.0=11 H LEU 22 - HA ALA 15 lone 5 87 - 6 - 6185=1 H ILE 32 - HA ALA 15 lone 4 99 - 4 - 202/2.1=1 H VAL 133 - HA ALA 15 lone 3 98 - 3 - 6122/3.6=2 H ASP 71 - HA ALA 15 lone 2 92 - 2 - H ALA 15 - HA ALA 21 lone 1 29 - 4 - H VAL 133 - HA ALA 21 lone 0 27 - 1 - H ILE 32 - HA ALA 21 lone 0 28 - 1 - H ASP 71 - HA ALA 21 lone 0 24 - 1 - Peak 199 from cnoeabs.peaks (4.28, 4.28, 52.50 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HA ALA 15 + HA ALA 15 OK 100 100 - 100 HA ALA 21 - HA ALA 21 OK 24 24 - 100 Peak 200 from cnoeabs.peaks (1.38, 4.28, 52.50 ppm; 2.50 A): 1 out of 30 assignments used, quality = 1.00: * QB ALA 15 + HA ALA 15 OK 100 100 - 100 - 2.1=100 HG3 LYS 31 - HA ALA 15 lone 7 73 - 9 - ~10790=2, 6119/3.0=1, ~831=1 QB ALA 110 - HA ALA 15 lone 6 100 - 6 - QB ALA 108 - HA ALA 15 lone 3 99 - 3 - QB ALA 109 - HA ALA 15 lone 3 87 - 3 - HB2 LEU 96 - HA ALA 15 lone 2 99 - 2 - QB ALA 28 - HA ALA 15 lone 2 100 - 2 - HB2 LEU 42 - HA ALA 15 lone 2 96 - 2 - HG2 LYS 24 - HA ALA 15 lone 2 98 - 2 - QB ALA 29 - HA ALA 15 lone 2 99 - 2 - HG2 LYS 36 - HA ALA 15 lone 1 99 - 1 - HG3 LYS 26 - HA ALA 15 lone 1 100 - 1 - QB ALA 15 - HA ALA 21 lone 1 29 - 3 - HB3 LEU 100 - HA ALA 15 lone 1 98 - 1 - QB ALA 110 - HA ALA 21 lone 1 29 - 2 - HG3 LYS 95 - HA ALA 15 lone 1 98 - 1 - HG2 LYS 95 - HA ALA 15 lone 1 92 - 1 - QB ALA 109 - HA ALA 21 lone 0 22 - 1 - QB ALA 29 - HA ALA 21 lone 0 28 - 1 - QB ALA 28 - HA ALA 21 lone 0 29 - 0 - QB ALA 108 - HA ALA 21 lone 0 28 - 0 - HG2 LYS 24 - HA ALA 21 lone 0 27 - 0 - HG3 LYS 26 - HA ALA 21 lone 0 29 - 0 - HG2 LYS 36 - HA ALA 21 lone 0 28 - 0 - HB2 LEU 96 - HA ALA 21 lone 0 28 - 0 - HB3 LEU 100 - HA ALA 21 lone 0 27 - 0 - HG3 LYS 95 - HA ALA 21 lone 0 27 - 0 - HB2 LEU 42 - HA ALA 21 lone 0 26 - 0 - HG2 LYS 95 - HA ALA 21 lone 0 24 - 0 - HG3 LYS 31 - HA ALA 21 lone 0 17 - 0 - Peak 201 from cnoeabs.peaks (8.03, 4.28, 52.50 ppm; 3.21 A): 1 out of 6 assignments used, quality = 0.83: * H ALA 16 + HA ALA 15 OK 83 100 - 83 - 3.6=73, 6124/2.1=25...(4) H SER 130 - HA ALA 15 lone 1 92 - 1 - H ALA 52 - HA ALA 15 lone 1 99 - 1 - H ALA 16 - HA ALA 21 lone 1 29 - 2 - H ALA 52 - HA ALA 21 lone 0 28 - 1 - H SER 130 - HA ALA 21 lone 0 24 - 0 - Peak 202 from cnoeabs.peaks (8.14, 1.38, 19.12 ppm; 3.15 A): 1 out of 25 assignments used, quality = 1.00: * H ALA 15 + QB ALA 15 OK 100 100 - 100 - 2.9=100 H ILE 32 - QB ALA 29 OK 16 83 - 19 - 10819/2.1=11...(3) H ALA 15 - QB ALA 110 OK 10 97 - 11 - 6119=3, 3.0/200=1...(4) H ILE 32 - QB ALA 15 lone 9 99 - 9 - 4.6/10790=3, 198/2.1=1 H VAL 133 - QB ALA 15 lone 5 98 - 5 - 6122/3.7=2, 198/2.1=1 H ILE 32 - QB ALA 28 lone 5 89 - 6 - 10819/747=1, 10819/2.1=1 H ASP 71 - QB ALA 15 lone 5 92 - 5 - 6122/3.7=1 H LEU 22 - QB ALA 15 lone 5 87 - 5 - 198/2.1=2 H ALA 15 - QB ALA 108 lone 4 88 - 5 - 6119=1 H LEU 22 - QB ALA 29 lone 4 68 - 6 - 6193/2.9=4, ~375=1 H ALA 15 - QB ALA 28 lone 3 91 - 4 - 6119=1 H ILE 32 - QB ALA 108 lone 3 86 - 3 - H ASP 71 - QB ALA 28 lone 3 79 - 4 - 6969/2.9=1 H LEU 22 - QB ALA 28 lone 3 74 - 4 - 6193/3.7=3 H ALA 15 - QB ALA 29 lone 3 85 - 3 - H LEU 22 - QB ALA 110 lone 3 81 - 3 - H ILE 32 - QB ALA 110 lone 2 96 - 2 - H ASP 71 - QB ALA 110 lone 2 86 - 2 - H ASP 71 - QB ALA 29 lone 1 73 - 2 - H VAL 133 - QB ALA 29 lone 1 81 - 1 - H VAL 133 - QB ALA 28 lone 1 87 - 1 - H LEU 22 - QB ALA 108 lone 1 70 - 1 - H VAL 133 - QB ALA 110 lone 1 94 - 1 - H ASP 71 - QB ALA 108 lone 1 76 - 1 - H VAL 133 - QB ALA 108 lone 0 83 - 1 - Peak 203 from cnoeabs.peaks (4.28, 1.38, 19.12 ppm; 2.50 A): 3 out of 75 assignments used, quality = 1.00: * HA ALA 15 + QB ALA 15 OK 100 100 - 100 - 2.1=100 HA ALA 110 + QB ALA 110 OK 97 97 - 100 - 2.1=100 HA ALA 108 + QB ALA 108 OK 58 58 - 100 - 2.1=100 HA ALA 109 - QB ALA 110 OK 19 68 - 28 - 3525/2.9=8, ~3529=4...(10) HA ALA 16 - QB ALA 15 OK 16 65 - 25 - 3.0/6124=12, ~201=6...(7) HA ALA 109 - QB ALA 108 OK 14 58 - 25 - 3.0/7564=5, 3524=3...(12) HA ARG 23 - QB ALA 15 OK 14 100 - 14 - 10728/2.9=10 HA ALA 110 - QB ALA 108 OK 12 87 - 14 - 3532=4, 3.0/7573=3...(5) HA ALA 108 - QB ALA 110 poor 8 68 - 13 - 3.6/7564=2, 3516=2...(4) HA ALA 15 - QB ALA 110 lone 7 97 - 7 - 200=2 HA LYS 31 - QB ALA 15 lone 7 73 - 10 - 3.0/10790=3, 798/2.9=2 HA ARG 23 - QB ALA 29 lone 6 85 - 7 - 416/2.9=3 HA ALA 110 - QB ALA 15 lone 6 100 - 6 - 3532=2, 3.0/7573=1 HA ARG 23 - QB ALA 28 lone 6 91 - 6 - 416/3.7=2, ~10770=2 HA ALA 15 - QB ALA 108 lone 3 88 - 4 - 200=1 HA LEU 22 - QB ALA 15 lone 3 73 - 4 - HA ALA 21 - QB ALA 15 lone 3 92 - 3 - HA LEU 22 - QB ALA 29 lone 3 56 - 5 - 375/2.9=2, ~383=1 HA THR 25 - QB ALA 28 lone 2 74 - 3 - ~10772=2 HA ALA 15 - QB ALA 28 lone 2 91 - 2 - HA LYS 31 - QB ALA 29 lone 2 56 - 4 - ~6325=1, 3.6/202=1 HA ALA 21 - QB ALA 110 lone 2 86 - 2 - HA LYS 31 - QB ALA 108 lone 2 58 - 4 - HA ALA 15 - QB ALA 29 lone 2 85 - 2 - HA ALA 109 - QB ALA 15 lone 2 73 - 3 - HA ALA 108 - QB ALA 15 lone 2 73 - 2 - HA THR 25 - QB ALA 15 lone 2 87 - 2 - HA ALA 16 - QB ALA 110 lone 2 60 - 3 - 3.0/6124=1 HA ARG 23 - QB ALA 110 lone 1 97 - 1 - HA LYS 36 - QB ALA 108 lone 1 44 - 3 - HA LEU 22 - QB ALA 28 lone 1 61 - 2 - 375/3.7=1 HA LYS 31 - QB ALA 110 lone 1 68 - 2 - HA LYS 36 - QB ALA 15 lone 1 57 - 2 - HA SER 74 - QB ALA 15 lone 1 87 - 1 - HA ALA 16 - QB ALA 108 lone 1 51 - 2 - HA LYS 31 - QB ALA 28 lone 1 61 - 2 - HA ALA 110 - QB ALA 28 lone 1 91 - 1 - HA LYS 36 - QB ALA 110 lone 1 52 - 2 - HA LEU 22 - QB ALA 110 lone 1 68 - 1 - HA ALA 110 - QB ALA 29 lone 1 85 - 1 - HA ALA 12 - QB ALA 15 lone 1 100 - 1 - HA ALA 16 - QB ALA 28 lone 1 54 - 2 - HA THR 25 - QB ALA 110 lone 1 81 - 1 - HA ARG 23 - QB ALA 108 lone 1 87 - 1 - HA THR 25 - QB ALA 29 lone 1 68 - 1 - HA LYS 36 - QB ALA 29 lone 1 43 - 2 - HA THR 18 - QB ALA 29 lone 1 62 - 1 - HA ALA 12 - QB ALA 110 lone 1 97 - 1 - HA LYS 36 - QB ALA 28 lone 1 47 - 1 - HA GLN 61 - QB ALA 110 lone 1 90 - 1 - HA GLN 61 - QB ALA 15 lone 1 96 - 1 - HA ALA 108 - QB ALA 28 lone 0 61 - 1 - HA GLN 61 - QB ALA 108 lone 0 80 - 1 - HA ALA 21 - QB ALA 29 lone 0 73 - 1 - HA THR 25 - QB ALA 108 lone 0 70 - 1 - HA ALA 21 - QB ALA 28 lone 0 79 - 0 - HA ALA 21 - QB ALA 108 lone 0 76 - 0 - HA ALA 108 - QB ALA 29 lone 0 56 - 1 - HA LEU 22 - QB ALA 108 lone 0 58 - 1 - HA ALA 109 - QB ALA 28 lone 0 61 - 0 - HA THR 18 - QB ALA 15 lone 0 81 - 0 - HA ALA 16 - QB ALA 29 lone 0 49 - 1 - HA ALA 12 - QB ALA 108 lone 0 88 - 0 - HA SER 74 - QB ALA 110 lone 0 81 - 0 - HA ALA 109 - QB ALA 29 lone 0 56 - 0 - HA SER 74 - QB ALA 28 lone 0 74 - 0 - HA THR 18 - QB ALA 110 lone 0 75 - 0 - HA ALA 12 - QB ALA 28 lone 0 91 - 0 - HA GLN 61 - QB ALA 28 lone 0 83 - 0 - HA THR 18 - QB ALA 28 lone 0 68 - 0 - HA GLN 61 - QB ALA 29 lone 0 78 - 0 - HA ALA 12 - QB ALA 29 lone 0 85 - 0 - HA SER 74 - QB ALA 108 lone 0 70 - 0 - HA THR 18 - QB ALA 108 lone 0 64 - 0 - HA SER 74 - QB ALA 29 lone 0 68 - 0 - Peak 204 from cnoeabs.peaks (1.38, 1.38, 19.12 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * QB ALA 15 + QB ALA 15 OK 100 100 - 100 QB ALA 110 + QB ALA 110 OK 97 97 - 100 QB ALA 28 + QB ALA 28 OK 91 91 - 100 QB ALA 108 + QB ALA 108 OK 86 86 - 100 QB ALA 29 + QB ALA 29 OK 83 83 - 100 Peak 205 from cnoeabs.peaks (8.03, 1.38, 19.12 ppm; 3.17 A): 1 out of 15 assignments used, quality = 0.81: * H ALA 16 + QB ALA 15 OK 81 100 - 81 - 3.7=62, 201/2.1=30...(8) H ALA 16 - QB ALA 110 lone 9 97 - 9 - 6124=3, 3.6/200=1 H ALA 16 - QB ALA 108 lone 5 88 - 6 - 6124=2 H ALA 16 - QB ALA 28 lone 5 91 - 5 - 6124=2, 6127/2.9=1 H ALA 16 - QB ALA 29 lone 2 85 - 3 - 6124=1 H ALA 52 - QB ALA 110 lone 2 96 - 2 - H ALA 52 - QB ALA 15 lone 2 99 - 2 - H SER 130 - QB ALA 15 lone 2 92 - 2 - H ALA 52 - QB ALA 29 lone 1 83 - 1 - H SER 130 - QB ALA 29 lone 1 73 - 1 - H ALA 52 - QB ALA 108 lone 1 86 - 1 - H ALA 52 - QB ALA 28 lone 1 89 - 1 - H SER 130 - QB ALA 28 lone 0 79 - 0 - H SER 130 - QB ALA 110 lone 0 86 - 0 - H SER 130 - QB ALA 108 lone 0 76 - 0 - Peak 206 from cnoeabs.peaks (8.03, 4.28, 52.57 ppm; 3.00 A): 1 out of 3 assignments used, quality = 1.00: * H ALA 16 + HA ALA 16 OK 100 100 - 100 - 3.0=100 H ALA 52 - HA ALA 16 lone 4 99 - 4 - 210/2.1=2 H SER 130 - HA ALA 16 lone 2 92 - 2 - 210/2.1=1 Peak 207 from cnoeabs.peaks (4.28, 4.28, 52.57 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 16 + HA ALA 16 OK 100 100 - 100 Peak 208 from cnoeabs.peaks (1.40, 4.28, 52.57 ppm; 2.63 A): 1 out of 2 assignments used, quality = 1.00: * QB ALA 16 + HA ALA 16 OK 100 100 - 100 - 2.1=100 HG LEU 96 - HA ALA 16 lone 5 81 - 6 - 6126/3.0=1 Peak 209 from cnoeabs.peaks (8.32, 4.28, 52.57 ppm; 2.73 A): 1 out of 3 assignments used, quality = 0.64: * H GLY 17 + HA ALA 16 OK 64 100 - 64 - 3.6=45, 213/2.1=21...(5) H TYR 72 - HA ALA 16 lone 5 99 - 5 - 6127/3.0=2, 213/2.1=2 H ALA 28 - HA ALA 16 lone 2 81 - 2 - Peak 210 from cnoeabs.peaks (8.03, 1.40, 19.06 ppm; 3.36 A): 1 out of 3 assignments used, quality = 1.00: * H ALA 16 + QB ALA 16 OK 100 100 - 100 - 2.9=100 H ALA 52 - QB ALA 16 lone 8 99 - 8 - 10963/11176=3, 206/2.1=2 H SER 130 - QB ALA 16 lone 5 92 - 5 - Peak 211 from cnoeabs.peaks (4.28, 1.40, 19.06 ppm; 2.52 A): 1 out of 14 assignments used, quality = 1.00: * HA ALA 16 + QB ALA 16 OK 100 100 - 100 - 2.1=100 HA ALA 15 - QB ALA 16 OK 16 65 - 25 - 3.6/6126=13, ~205=4...(5) HB THR 115 - QB ALA 16 lone 6 99 - 6 - ~10669=2 HA ALA 108 - QB ALA 16 lone 2 100 - 2 - HA LYS 31 - QB ALA 16 lone 1 100 - 1 - HA ALA 110 - QB ALA 16 lone 1 73 - 2 - HA LYS 36 - QB ALA 16 lone 1 100 - 1 - HA LEU 22 - QB ALA 16 lone 1 100 - 1 - HA ALA 109 - QB ALA 16 lone 1 100 - 1 - HA ARG 23 - QB ALA 16 lone 1 57 - 1 - HA GLN 61 - QB ALA 16 lone 1 92 - 1 - HA LYS 26 - QB ALA 16 lone 0 81 - 0 - HA ALA 12 - QB ALA 16 lone 0 65 - 0 - HA LYS 19 - QB ALA 16 lone 0 65 - 0 - Peak 212 from cnoeabs.peaks (1.40, 1.40, 19.06 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 16 + QB ALA 16 OK 100 100 - 100 Peak 213 from cnoeabs.peaks (8.32, 1.40, 19.06 ppm; 3.16 A): 1 out of 3 assignments used, quality = 0.82: * H GLY 17 + QB ALA 16 OK 82 100 - 82 - 3.7=62, 209/2.1=33...(5) H TYR 72 - QB ALA 16 lone 9 99 - 9 - 6127/2.9=3, 209/2.1=3 H ALA 28 - QB ALA 16 lone 3 81 - 3 - 209/2.1=1 Peak 214 from cnoeabs.peaks (8.32, 3.96, 45.21 ppm; 2.79 A): 2 out of 6 assignments used, quality = 0.99: H GLY 17 + HA3 GLY 17 OK 92 100 - 92 - 3.0=85, 6132/1.8=16...(7) * H GLY 17 + HA2 GLY 17 OK 92 100 - 92 - 3.0=85, 6132/1.8=16...(7) H TYR 72 - HA2 GLY 17 lone 4 99 - 4 - H TYR 72 - HA3 GLY 17 lone 4 99 - 4 - H ALA 28 - HA2 GLY 17 lone 1 81 - 1 - H ALA 28 - HA3 GLY 17 lone 1 81 - 1 - Peak 215 from cnoeabs.peaks (3.96, 3.96, 45.21 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HA3 GLY 17 + HA3 GLY 17 OK 100 100 - 100 * HA2 GLY 17 + HA2 GLY 17 OK 100 100 - 100 Peak 216 from cnoeabs.peaks (3.96, 3.96, 45.21 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HA3 GLY 17 + HA3 GLY 17 OK 100 100 - 100 HA2 GLY 17 + HA2 GLY 17 OK 100 100 - 100 Reference assignment not found: HA3 GLY 17 - HA2 GLY 17 Peak 217 from cnoeabs.peaks (7.97, 3.96, 45.21 ppm; 2.79 A): 2 out of 6 assignments used, quality = 0.88: H THR 18 + HA3 GLY 17 OK 66 100 - 66 - 3.6=48, 6136/3.0=21, 6137/1.8=17 * H THR 18 + HA2 GLY 17 OK 66 100 - 66 - 3.6=48, 6136/3.0=21, 6137/1.8=17 H ILE 37 - HA3 GLY 17 lone 2 87 - 3 - 6134/3.0=1, 6418/3.6=1 H ILE 37 - HA2 GLY 17 lone 2 87 - 3 - 6134/3.0=1, 6418/3.6=1 H SER 38 - HA3 GLY 17 lone 1 65 - 2 - H SER 38 - HA2 GLY 17 lone 1 65 - 2 - Peak 218 from cnoeabs.peaks (8.32, 3.96, 45.21 ppm; 2.79 A): 2 out of 6 assignments used, quality = 0.99: * H GLY 17 + HA3 GLY 17 OK 92 100 - 92 - 3.0=85, 6132/1.8=16...(7) H GLY 17 + HA2 GLY 17 OK 92 100 - 92 - 3.0=85, 6132/1.8=16...(7) H TYR 72 - HA2 GLY 17 lone 4 99 - 4 - H TYR 72 - HA3 GLY 17 lone 4 99 - 4 - H ALA 28 - HA2 GLY 17 lone 1 81 - 1 - H ALA 28 - HA3 GLY 17 lone 1 81 - 1 - Peak 219 from cnoeabs.peaks (3.96, 3.96, 45.21 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HA3 GLY 17 + HA3 GLY 17 OK 100 100 - 100 HA2 GLY 17 + HA2 GLY 17 OK 100 100 - 100 Reference assignment not found: HA2 GLY 17 - HA3 GLY 17 Peak 220 from cnoeabs.peaks (3.96, 3.96, 45.21 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA3 GLY 17 + HA3 GLY 17 OK 100 100 - 100 HA2 GLY 17 + HA2 GLY 17 OK 100 100 - 100 Peak 221 from cnoeabs.peaks (7.97, 3.96, 45.21 ppm; 2.79 A): 2 out of 6 assignments used, quality = 0.88: * H THR 18 + HA3 GLY 17 OK 66 100 - 66 - 3.6=48, 6136/3.0=21, 6137/1.8=17 H THR 18 + HA2 GLY 17 OK 66 100 - 66 - 3.6=48, 6136/3.0=21, 6137/1.8=17 H ILE 37 - HA3 GLY 17 lone 2 87 - 3 - 6134/3.0=1, 6418/3.6=1 H ILE 37 - HA2 GLY 17 lone 2 87 - 3 - 6134/3.0=1, 6418/3.6=1 H SER 38 - HA3 GLY 17 lone 1 65 - 2 - H SER 38 - HA2 GLY 17 lone 1 65 - 2 - Peak 222 from cnoeabs.peaks (7.97, 4.29, 61.95 ppm; 3.42 A): 1 out of 3 assignments used, quality = 1.00: * H THR 18 + HA THR 18 OK 100 100 - 100 - 3.0=100 H ILE 37 - HA THR 18 OK 17 87 - 19 - 3.8/10920=6, 232/3.2=3...(7) H SER 38 - HA THR 18 poor 7 65 - 10 - 4.5/10920=5, 6420/3.0=2 Peak 223 from cnoeabs.peaks (4.29, 4.29, 61.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA THR 18 + HA THR 18 OK 100 100 - 100 Peak 224 from cnoeabs.peaks (4.19, 4.29, 61.95 ppm; 2.66 A): 1 out of 4 assignments used, quality = 0.86: * HB THR 18 + HA THR 18 OK 86 100 - 86 - 3.0=68, 2.1/225=21...(10) HB THR 25 - HA THR 18 lone 5 73 - 6 - 584=1, 2.1/589=1 HA GLU 128 - HA THR 18 lone 3 98 - 2 - HA VAL 105 - HA THR 18 lone 2 98 - 2 - Peak 225 from cnoeabs.peaks (1.17, 4.29, 61.95 ppm; 3.09 A): 1 out of 3 assignments used, quality = 0.97: * QG2 THR 18 + HA THR 18 OK 97 100 - 97 - 3.2=89, 2.1/224=33...(10) QB ALA 41 - HA THR 18 lone 6 100 - 6 - 6141/3.0=1, 230/3.0=1 HG12 ILE 32 - HA THR 18 lone 4 65 - 6 - 6147/3.6=3 Peak 226 from cnoeabs.peaks (8.35, 4.29, 61.95 ppm; 2.65 A): 1 out of 2 assignments used, quality = 0.66: * H LYS 19 + HA THR 18 OK 66 100 - 66 - 6145=42, 6142/3.0=18...(6) H LYS 86 - HA THR 18 lone 5 65 - 8 - 236/3.2=3, 231/3.0=2...(4) Peak 227 from cnoeabs.peaks (7.97, 4.19, 69.81 ppm; 3.40 A): 2 out of 3 assignments used, quality = 0.92: * H THR 18 + HB THR 18 OK 91 100 - 91 - 3.8=70, 6141/2.1=32...(8) H ILE 37 + HB THR 18 OK 11 87 - 13 - 232/2.1=4, 222/3.0=4...(5) H SER 38 - HB THR 18 lone 4 65 - 5 - 232/2.1=2, 222/3.0=1, 6420/3.8=1 Peak 228 from cnoeabs.peaks (4.29, 4.19, 69.81 ppm; 2.50 A): 1 out of 8 assignments used, quality = 0.79: * HA THR 18 + HB THR 18 OK 79 100 - 79 - 3.0=57, 225/2.1=18...(10) HA ALA 12 - HB THR 18 poor 9 81 - 11 - 2.1/10688=3, ~10686=3...(4) HA THR 25 - HB THR 18 lone 6 100 - 5 - 580=2, 233/2.1=1 HA ARG 23 - HB THR 18 lone 3 87 - 3 - 233/2.1=1, ~10697=1 HA ALA 21 - HB THR 18 lone 1 99 - 1 - HA SER 74 - HB THR 18 lone 0 100 - 0 - HA ALA 15 - HB THR 18 lone 0 81 - 0 - HA ALA 110 - HB THR 18 lone 0 73 - 0 - Peak 229 from cnoeabs.peaks (4.19, 4.19, 69.81 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 18 + HB THR 18 OK 100 100 - 100 Peak 230 from cnoeabs.peaks (1.17, 4.19, 69.81 ppm; 2.60 A): 1 out of 3 assignments used, quality = 1.00: * QG2 THR 18 + HB THR 18 OK 100 100 - 100 - 2.1=100 QB ALA 41 - HB THR 18 lone 5 100 - 5 - ~1277=1 HG12 ILE 32 - HB THR 18 lone 3 65 - 4 - 6147/4.6=1 Peak 231 from cnoeabs.peaks (8.35, 4.19, 69.81 ppm; 3.05 A): 2 out of 2 assignments used, quality = 0.77: * H LYS 19 + HB THR 18 OK 74 100 - 74 - 6146=41, 226/3.0=25...(8) H LYS 86 + HB THR 18 OK 12 65 - 19 - 4.0/10689=8, 236/2.1=5...(5) Peak 232 from cnoeabs.peaks (7.97, 1.17, 21.38 ppm; 3.79 A): 1 out of 3 assignments used, quality = 0.96: * H THR 18 + QG2 THR 18 OK 96 100 - 96 - 4.0=84, 6140/2.1=39...(6) H ILE 37 - QG2 THR 18 OK 18 87 - 20 - 2.9/10905=4, 227/2.1=4...(6) H SER 38 - QG2 THR 18 poor 9 65 - 14 - 3.6/10905=4, 4.6/10904=3...(6) Peak 233 from cnoeabs.peaks (4.29, 1.17, 21.38 ppm; 3.00 A): 2 out of 8 assignments used, quality = 0.95: * HA THR 18 + QG2 THR 18 OK 94 100 - 94 - 3.2=81, 224/2.1=31...(10) HA ALA 12 + QG2 THR 18 OK 12 81 - 15 - ~10686=4, ~10688=4...(5) HA THR 25 - QG2 THR 18 lone 7 100 - 6 - 228/2.1=2 HA ARG 23 - QG2 THR 18 lone 6 87 - 7 - 3.0/10697=4, 228/2.1=1 HA ALA 21 - QG2 THR 18 lone 1 99 - 1 - HA SER 74 - QG2 THR 18 lone 1 100 - 1 - HA ALA 15 - QG2 THR 18 lone 0 81 - 1 - HA ALA 110 - QG2 THR 18 lone 0 73 - 0 - Peak 234 from cnoeabs.peaks (4.19, 1.17, 21.38 ppm; 2.77 A): 1 out of 4 assignments used, quality = 1.00: * HB THR 18 + QG2 THR 18 OK 100 100 - 100 - 2.1=100 HB THR 25 - QG2 THR 18 lone 4 73 - 5 - 3.0/233=1, 224/3.2=1 HA GLU 128 - QG2 THR 18 lone 3 98 - 3 - HA VAL 105 - QG2 THR 18 lone 3 98 - 3 - Peak 235 from cnoeabs.peaks (1.17, 1.17, 21.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 18 + QG2 THR 18 OK 100 100 - 100 Peak 236 from cnoeabs.peaks (8.35, 1.17, 21.38 ppm; 3.87 A): 1 out of 2 assignments used, quality = 0.94: * H LYS 19 + QG2 THR 18 OK 94 100 - 94 - 4.3=71, 6146/2.1=38...(8) H LYS 86 - QG2 THR 18 OK 27 65 - 42 - 4.0/9824=16...(8) Peak 237 from cnoeabs.peaks (8.35, 4.27, 56.54 ppm; 2.85 A): 1 out of 4 assignments used, quality = 0.96: * H LYS 19 + HA LYS 19 OK 96 100 - 96 - 3.0=90, 6159/3.6=16...(16) H LYS 19 - HA LYS 26 OK 25 82 - 31 - 6148=9, 248/3.0=5...(10) H LYS 86 - HA LYS 19 lone 5 65 - 7 - H LYS 86 - HA LYS 26 lone 1 47 - 2 - Peak 238 from cnoeabs.peaks (4.27, 4.27, 56.54 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA LYS 19 + HA LYS 19 OK 100 100 - 100 HA LYS 26 + HA LYS 26 OK 80 80 - 100 Peak 239 from cnoeabs.peaks (1.75, 4.27, 56.54 ppm; 2.76 A): 2 out of 12 assignments used, quality = 0.98: * HB2 LYS 19 + HA LYS 19 OK 94 100 - 94 - 3.0=81, 3.0/241=13...(23) HB2 LYS 26 + HA LYS 26 OK 75 82 - 91 - 3.0=77, 1.8/616=12...(26) HB2 LYS 26 - HA LYS 19 OK 41 100 - 41 - 1.8/616=5, 249=5...(13) HB2 LYS 24 - HA LYS 19 OK 39 98 - 40 - 6149/3.0=4, 249=4...(13) HB2 LYS 24 - HA LYS 26 OK 36 78 - 46 - 6250/2.9=5, 605=5...(19) HB2 LYS 19 - HA LYS 26 OK 34 82 - 42 - 3.0/241=6, 249=5...(15) HB2 LYS 31 - HA LYS 19 OK 27 81 - 34 - 6149/3.0=3, 1.8/240=3...(9) HB2 LYS 31 - HA LYS 26 OK 21 59 - 35 - 1.8/260=3, 6250/2.9=3...(10) HB2 ARG 23 - HA LYS 26 OK 17 70 - 25 - 428/3.0=3, 433/2.9=3...(12) HB2 ARG 23 - HA LYS 19 lone 6 92 - 7 - 6161/3.6=1 HG13 ILE 129 - HA LYS 26 lone 3 65 - 5 - HG13 ILE 129 - HA LYS 19 lone 2 87 - 2 - Peak 240 from cnoeabs.peaks (1.81, 4.27, 56.54 ppm; 2.72 A): 2 out of 18 assignments used, quality = 0.96: * HB3 LYS 19 + HA LYS 19 OK 92 100 - 92 - 3.0=78, 3.0/241=13...(23) HB3 LYS 26 + HA LYS 26 OK 52 59 - 89 - 3.0=74, 4.0/6249=8...(26) HB3 LYS 24 - HA LYS 19 OK 38 99 - 39 - 260=4, 259/3.0=4...(13) HB3 LYS 31 - HA LYS 19 OK 35 100 - 35 - 259/3.0=5, 260=4...(9) HB3 LYS 24 - HA LYS 26 OK 33 80 - 41 - 260=4, 501/2.9=3...(19) HB3 LYS 19 - HA LYS 26 OK 31 82 - 38 - 3.0/241=6, 260=4...(12) HB3 LYS 26 - HA LYS 19 OK 31 81 - 38 - 616=5, 3.0/627=4...(13) HB3 LYS 31 - HA LYS 26 OK 27 82 - 33 - 260=4, 3.0/242=2...(9) HB ILE 32 - HA LYS 19 OK 15 87 - 17 - 6150/3.0=2, 3.2/10753=2...(6) HB ILE 32 - HA LYS 26 OK 10 65 - 16 - 3.2/10753=2, 2.9/597=1...(5) HB2 LYS 36 - HA LYS 26 poor 10 70 - 14 - 985=1, 1.8/996=1 HB2 LYS 36 - HA LYS 19 lone 8 92 - 9 - HB3 LEU 123 - HA LYS 19 lone 5 61 - 8 - ~10701=1, ~10748=1 HB3 LEU 123 - HA LYS 26 lone 3 43 - 6 - ~10748=2, ~10701=2 HB2 ARG 84 - HA LYS 19 lone 1 98 - 1 - HB3 ARG 135 - HA LYS 19 lone 1 87 - 1 - HB3 ARG 135 - HA LYS 26 lone 1 65 - 1 - HB2 ARG 84 - HA LYS 26 lone 0 78 - 0 - Peak 241 from cnoeabs.peaks (1.36, 4.27, 56.54 ppm; 2.87 A): 2 out of 4 assignments used, quality = 0.88: * HG2 LYS 19 + HA LYS 19 OK 82 100 - 82 - 4.2=33, 270/3.0=16...(33) HG2 LYS 19 + HA LYS 26 OK 35 82 - 43 - 271=10, 252/3.0=5...(10) QB ALA 12 - HA LYS 19 lone 9 92 - 10 - 6151/3.0=4, 6163/3.6=2...(4) QB ALA 12 - HA LYS 26 lone 1 70 - 1 - Peak 242 from cnoeabs.peaks (1.44, 4.27, 56.54 ppm; 3.05 A): 3 out of 8 assignments used, quality = 0.96: * HG3 LYS 19 + HA LYS 19 OK 87 100 - 87 - 4.2=40, 1.8/241=23...(32) HG3 LYS 24 + HA LYS 19 OK 46 99 - 46 - 281/3.0=6, 282=6...(17) HG3 LYS 24 + HA LYS 26 OK 42 80 - 53 - 282=6, 523/2.9=5...(24) HG2 LYS 31 - HA LYS 19 OK 38 99 - 39 - 6152/3.0=4, 824/3.0=4...(14) HG3 LYS 19 - HA LYS 26 OK 38 82 - 47 - 1.8/241=10, 282=6...(15) HG2 LYS 31 - HA LYS 26 OK 33 80 - 42 - 823/3.0=4, 824/3.0=3...(16) HG13 ILE 32 - HA LYS 19 OK 20 92 - 22 - 6152/3.0=3, 2.1/10753=2...(11) HG13 ILE 32 - HA LYS 26 OK 14 70 - 20 - 2.1/10753=3, 921/3.0=3...(7) Peak 243 from cnoeabs.peaks (1.65, 4.27, 56.54 ppm; 3.22 A): 2 out of 16 assignments used, quality = 0.98: HD3 LYS 19 + HA LYS 19 OK 86 100 - 86 - 5.2=24, 3.0/241=18...(37) * HD2 LYS 19 + HA LYS 19 OK 86 100 - 86 - 5.2=24, 3.0/241=18...(37) HD3 LYS 19 - HA LYS 26 OK 39 82 - 48 - 3.0/241=8, 293=7...(19) HD2 LYS 19 - HA LYS 26 OK 39 82 - 48 - 3.0/241=8, 293=7...(19) HD3 LYS 26 - HA LYS 26 OK 37 47 - 79 - 5.0=27, 2.9/627=11...(33) HD3 LYS 26 - HA LYS 19 OK 27 65 - 42 - 2.9/627=6, 2.9/638=4...(14) HB2 LEU 123 - HA LYS 19 OK 13 100 - 13 - ~10701=2, 6165/3.6=2...(5) HB2 LEU 123 - HA LYS 26 lone 7 81 - 9 - ~10748=3, ~10701=3 HG LEU 43 - HA LYS 19 lone 3 87 - 4 - HG LEU 62 - HA LYS 19 lone 3 100 - 3 - HB2 LEU 98 - HA LYS 19 lone 3 98 - 3 - HD2 LYS 95 - HA LYS 26 lone 2 70 - 3 - HD2 LYS 95 - HA LYS 19 lone 1 92 - 2 - HB2 LEU 98 - HA LYS 26 lone 1 78 - 2 - HG LEU 62 - HA LYS 26 lone 1 81 - 1 - HG LEU 43 - HA LYS 26 lone 1 65 - 1 - Peak 244 from cnoeabs.peaks (1.65, 4.27, 56.54 ppm; 3.22 A): 2 out of 16 assignments used, quality = 0.98: * HD3 LYS 19 + HA LYS 19 OK 86 100 - 86 - 5.2=24, 3.0/241=18...(37) HD2 LYS 19 + HA LYS 19 OK 86 100 - 86 - 5.2=24, 3.0/241=18...(37) HD3 LYS 19 - HA LYS 26 OK 39 82 - 48 - 3.0/241=8, 293=7...(19) HD2 LYS 19 - HA LYS 26 OK 39 82 - 48 - 3.0/241=8, 293=7...(19) HD3 LYS 26 - HA LYS 26 OK 37 47 - 79 - 5.0=27, 2.9/627=11...(33) HD3 LYS 26 - HA LYS 19 OK 27 65 - 42 - 2.9/627=6, 2.9/638=4...(14) HB2 LEU 123 - HA LYS 19 OK 13 100 - 13 - ~10701=2, 6165/3.6=2...(5) HB2 LEU 123 - HA LYS 26 lone 7 81 - 9 - ~10748=3, ~10701=3 HG LEU 43 - HA LYS 19 lone 3 87 - 4 - HG LEU 62 - HA LYS 19 lone 3 100 - 3 - HB2 LEU 98 - HA LYS 19 lone 3 98 - 3 - HD2 LYS 95 - HA LYS 26 lone 2 70 - 3 - HD2 LYS 95 - HA LYS 19 lone 1 92 - 2 - HB2 LEU 98 - HA LYS 26 lone 1 78 - 2 - HG LEU 62 - HA LYS 26 lone 1 81 - 1 - HG LEU 43 - HA LYS 26 lone 1 65 - 1 - Peak 248 from cnoeabs.peaks (8.35, 1.75, 32.77 ppm; 2.76 A): 3 out of 6 assignments used, quality = 0.86: * H LYS 19 + HB2 LYS 19 OK 76 100 - 76 - 3.9=34, 259/1.8=17...(16) H LYS 19 + HB2 LYS 26 OK 26 90 - 29 - 6149=9, 6148/3.0=4...(9) H LYS 19 + HB2 LYS 24 OK 23 77 - 31 - 6149=9, 259/1.8=5...(6) H LYS 86 - HB2 LYS 19 lone 4 65 - 5 - 270/3.0=1 H LYS 86 - HB2 LYS 24 lone 1 43 - 2 - H LYS 86 - HB2 LYS 26 lone 1 53 - 1 - Peak 249 from cnoeabs.peaks (4.27, 1.75, 32.77 ppm; 2.73 A): 2 out of 30 assignments used, quality = 0.98: * HA LYS 19 + HB2 LYS 19 OK 93 100 - 93 - 3.0=78, 241/3.0=13...(23) HA LYS 26 + HB2 LYS 26 OK 79 88 - 90 - 3.0=74, 616/1.8=12...(26) HA LYS 26 - HB2 LYS 19 OK 41 99 - 41 - 241/3.0=6, 595=5...(15) HA LYS 19 - HB2 LYS 26 OK 36 90 - 40 - 239=5, 616/1.8=5...(13) HA LYS 26 - HB2 LYS 24 OK 35 75 - 47 - 595=6, 2.9/6250=5...(20) HA LYS 19 - HB2 LYS 24 OK 31 77 - 40 - 239=5, 3.0/6149=4...(14) HA LYS 31 - HB2 LYS 19 OK 16 57 - 29 - 271/3.0=2, 3.6/6343=2...(13) HA LYS 31 - HB2 LYS 26 OK 14 46 - 30 - 616/1.8=3, 627/3.0=3...(11) HA LYS 31 - HB2 LYS 24 OK 11 37 - 30 - 3.0/6331=3, 3.8/823=2...(11) HA LYS 36 - HB2 LYS 26 poor 8 60 - 13 - 616/1.8=2, 627/3.0=1, 977/3.0=1 HA LYS 36 - HB2 LYS 24 poor 6 49 - 12 - 977/2.9=2, 975/1.8=2 HA LYS 36 - HB2 LYS 19 lone 5 73 - 7 - HA PHE 87 - HB2 LYS 19 lone 5 99 - 5 - HB THR 115 - HB2 LYS 26 lone 4 67 - 6 - 11521/4.0=2, 10191/3.0=1 HB THR 115 - HB2 LYS 24 lone 3 55 - 5 - 10191/2.9=1, ~10196=1 HA PHE 87 - HB2 LYS 26 lone 2 88 - 2 - HA LEU 22 - HB2 LYS 26 lone 2 46 - 4 - 3.6/6203=2 HB THR 115 - HB2 LYS 19 lone 2 81 - 2 - HA PHE 87 - HB2 LYS 24 lone 1 75 - 1 - HA LEU 22 - HB2 LYS 19 lone 1 57 - 2 - HA LEU 22 - HB2 LYS 24 lone 1 37 - 2 - 3.6/6203=2 HA ALA 108 - HB2 LYS 26 lone 1 46 - 1 - HA ALA 109 - HB2 LYS 26 lone 0 46 - 1 - HA ALA 16 - HB2 LYS 26 lone 0 53 - 1 - HA ALA 108 - HB2 LYS 19 lone 0 57 - 1 - HA ALA 109 - HB2 LYS 19 lone 0 57 - 1 - HA ALA 16 - HB2 LYS 19 lone 0 65 - 0 - HA ALA 108 - HB2 LYS 24 lone 0 37 - 1 - HA ALA 109 - HB2 LYS 24 lone 0 37 - 1 - HA ALA 16 - HB2 LYS 24 lone 0 43 - 0 - Peak 250 from cnoeabs.peaks (1.75, 1.75, 32.77 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB2 LYS 19 + HB2 LYS 19 OK 100 100 - 100 HB2 LYS 26 + HB2 LYS 26 OK 90 90 - 100 HB2 LYS 24 + HB2 LYS 24 OK 72 72 - 100 Peak 251 from cnoeabs.peaks (1.81, 1.75, 32.77 ppm; 2.50 A): 3 out of 27 assignments used, quality = 1.00: * HB3 LYS 19 + HB2 LYS 19 OK 100 100 - 100 - 1.8=100 HB3 LYS 24 + HB2 LYS 24 OK 75 75 - 100 - 1.8=100 HB3 LYS 26 + HB2 LYS 26 OK 67 67 - 100 - 1.8=100 HB3 LYS 24 - HB2 LYS 19 OK 41 99 - 42 - 263/3.0=4, 261=3...(19) HB3 LYS 31 - HB2 LYS 19 OK 36 100 - 36 - 263/3.0=4, 261=3...(13) HB3 LYS 24 - HB2 LYS 26 OK 35 88 - 40 - 3.0/481=3, 261=3...(18) HB3 LYS 31 - HB2 LYS 26 OK 33 90 - 37 - 261=3, 3.0/823=2...(12) HB3 LYS 19 - HB2 LYS 24 OK 33 77 - 43 - 3.0/252=4, 261=3...(19) HB3 LYS 19 - HB2 LYS 26 OK 33 90 - 36 - 3.0/252=4, 261=3...(16) HB3 LYS 31 - HB2 LYS 24 OK 31 77 - 41 - 261=3, 502/3.0=3...(13) HB3 LYS 26 - HB2 LYS 19 OK 30 81 - 37 - 617=3, 3.0/628=3...(14) HB3 LYS 26 - HB2 LYS 24 OK 24 55 - 43 - 617=4, 3.0/628=3...(16) HB ILE 32 - HB2 LYS 19 OK 18 87 - 21 - ~10831=3, 900/3.0=2...(7) HB ILE 32 - HB2 LYS 26 OK 13 73 - 18 - 2.9/10738=1, 900/3.0=1...(6) HB2 LYS 36 - HB2 LYS 26 OK 11 78 - 14 - ~997=1, 988/3.0=1 HB2 LYS 36 - HB2 LYS 24 poor 9 65 - 14 - 988/2.9=2, ~997=1, ~999=1 HB2 LYS 36 - HB2 LYS 19 lone 8 92 - 9 - HB ILE 32 - HB2 LYS 24 poor 8 60 - 12 - 2.9/10738=1, 4.0/6343=1 HB3 LEU 123 - HB2 LYS 19 lone 5 61 - 8 - 3.2/10701=3 HB3 LEU 123 - HB2 LYS 26 lone 4 49 - 9 - 3.2/10701=4, ~10756=2 HB2 ARG 84 - HB2 LYS 19 lone 1 98 - 1 - HB3 ARG 135 - HB2 LYS 26 lone 1 73 - 2 - HB3 LEU 123 - HB2 LYS 24 lone 1 40 - 3 - HB3 ARG 135 - HB2 LYS 19 lone 1 87 - 1 - HB3 ARG 135 - HB2 LYS 24 lone 1 60 - 1 - HB2 ARG 84 - HB2 LYS 24 lone 1 72 - 1 - HB2 ARG 84 - HB2 LYS 26 lone 0 86 - 0 - Peak 252 from cnoeabs.peaks (1.36, 1.75, 32.77 ppm; 2.68 A): 2 out of 6 assignments used, quality = 0.95: * HG2 LYS 19 + HB2 LYS 19 OK 92 100 - 92 - 3.0=73, 263/1.8=16...(39) HG2 LYS 19 + HB2 LYS 24 OK 39 77 - 51 - 272=9, 263/1.8=7...(20) HG2 LYS 19 - HB2 LYS 26 OK 38 90 - 42 - 272=8, 241/3.0=5...(14) QB ALA 12 - HB2 LYS 19 lone 8 92 - 9 - 6151/3.9=2, 263/1.8=2...(4) QB ALA 12 - HB2 LYS 26 lone 1 78 - 1 - QB ALA 12 - HB2 LYS 24 lone 1 65 - 1 - Peak 253 from cnoeabs.peaks (1.44, 1.75, 32.77 ppm; 2.71 A): 3 out of 12 assignments used, quality = 0.99: * HG3 LYS 19 + HB2 LYS 19 OK 93 100 - 93 - 3.0=76, 1.8/252=17...(36) HG3 LYS 24 + HB2 LYS 24 OK 68 75 - 91 - 2.9=79, 524/3.0=9...(18) HG3 LYS 24 + HB2 LYS 19 OK 48 99 - 49 - 285/3.0=7, 283=4...(19) HG3 LYS 24 - HB2 LYS 26 OK 43 88 - 49 - 283=4, 527/3.0=4...(19) HG2 LYS 31 - HB2 LYS 19 OK 41 99 - 41 - 824/1.8=4, 275/3.0=4...(15) HG3 LYS 19 - HB2 LYS 24 OK 40 77 - 53 - 1.8/252=7, 524/3.0=5...(19) HG2 LYS 31 - HB2 LYS 26 OK 40 88 - 45 - 824/1.8=4, 826/3.0=3...(15) HG3 LYS 19 - HB2 LYS 26 OK 38 90 - 43 - 1.8/252=7, 283=4...(14) HG2 LYS 31 - HB2 LYS 24 OK 37 75 - 49 - 824/1.8=5, 484/3.0=4...(16) HG13 ILE 32 - HB2 LYS 19 OK 20 92 - 22 - 921/1.8=2, 275/3.0=2...(9) HG13 ILE 32 - HB2 LYS 26 OK 16 78 - 21 - 921/1.8=3, 1.8/10738=2...(6) HG13 ILE 32 - HB2 LYS 24 poor 9 65 - 14 - 921/1.8=2, 1.8/10738=2...(4) Peak 254 from cnoeabs.peaks (1.65, 1.75, 32.77 ppm; 2.92 A): 3 out of 24 assignments used, quality = 0.99: HD3 LYS 19 + HB2 LYS 19 OK 89 100 - 89 - 3.9=41, 3.0/252=13...(42) * HD2 LYS 19 + HB2 LYS 19 OK 89 100 - 89 - 3.9=41, 3.0/252=13...(42) HD3 LYS 26 + HB2 LYS 26 OK 46 53 - 86 - 3.5=57, 2.9/628=8...(39) HD3 LYS 19 - HB2 LYS 24 OK 42 77 - 54 - 3.0/252=5, 305=5...(24) HD2 LYS 19 - HB2 LYS 24 OK 42 77 - 54 - 3.0/252=5, 305=5...(24) HD3 LYS 19 - HB2 LYS 26 OK 40 90 - 45 - 3.0/252=5, 305=4...(18) HD2 LYS 19 - HB2 LYS 26 OK 40 90 - 45 - 3.0/252=5, 305=4...(18) HD3 LYS 26 - HB2 LYS 19 OK 26 65 - 40 - 2.9/628=4, 2.9/639=3...(13) HD3 LYS 26 - HB2 LYS 24 OK 22 43 - 50 - 2.9/628=5, 2.9/639=3...(21) HB2 LEU 123 - HB2 LYS 26 OK 12 90 - 13 - 3.2/10701=5, ~10756=3, ~11421=1 HB2 LEU 123 - HB2 LYS 19 OK 12 100 - 12 - 3.2/10701=5, 6165/4.6=1 HG LEU 43 - HB2 LYS 19 poor 9 87 - 11 - ~11088=7, 277/3.0=1 HG LEU 62 - HB2 LYS 24 lone 4 76 - 5 - 11000/3.0=2, ~9388=1 HB2 LEU 98 - HB2 LYS 19 lone 3 98 - 3 - 3.1/10701=1 HB2 LEU 123 - HB2 LYS 24 lone 3 76 - 4 - 3.2/10701=1 HD2 LYS 95 - HB2 LYS 26 lone 3 78 - 4 - HG LEU 62 - HB2 LYS 19 lone 2 100 - 2 - HD2 LYS 95 - HB2 LYS 24 lone 2 65 - 3 - HB2 LEU 98 - HB2 LYS 26 lone 2 86 - 2 - HD2 LYS 95 - HB2 LYS 19 lone 1 92 - 1 - HG LEU 62 - HB2 LYS 26 lone 1 90 - 1 - HB2 LEU 98 - HB2 LYS 24 lone 1 72 - 1 - HG LEU 43 - HB2 LYS 24 lone 1 60 - 1 - HG LEU 43 - HB2 LYS 26 lone 1 73 - 1 - Peak 255 from cnoeabs.peaks (1.65, 1.75, 32.77 ppm; 2.92 A): 3 out of 24 assignments used, quality = 0.99: * HD3 LYS 19 + HB2 LYS 19 OK 89 100 - 89 - 3.9=41, 3.0/252=13...(42) HD2 LYS 19 + HB2 LYS 19 OK 89 100 - 89 - 3.9=41, 3.0/252=13...(42) HD3 LYS 26 + HB2 LYS 26 OK 46 53 - 86 - 3.5=57, 2.9/628=8...(39) HD3 LYS 19 - HB2 LYS 24 OK 42 77 - 54 - 3.0/252=5, 305=5...(24) HD2 LYS 19 - HB2 LYS 24 OK 42 77 - 54 - 3.0/252=5, 305=5...(24) HD3 LYS 19 - HB2 LYS 26 OK 40 90 - 45 - 3.0/252=5, 305=4...(18) HD2 LYS 19 - HB2 LYS 26 OK 40 90 - 45 - 3.0/252=5, 305=4...(18) HD3 LYS 26 - HB2 LYS 19 OK 26 65 - 40 - 2.9/628=4, 2.9/639=3...(13) HD3 LYS 26 - HB2 LYS 24 OK 22 43 - 50 - 2.9/628=5, 2.9/639=3...(21) HB2 LEU 123 - HB2 LYS 26 OK 12 90 - 13 - 3.2/10701=5, ~10756=3, ~11421=1 HB2 LEU 123 - HB2 LYS 19 OK 12 100 - 12 - 3.2/10701=5, 6165/4.6=1 HG LEU 43 - HB2 LYS 19 poor 9 87 - 11 - ~11088=7, 277/3.0=1 HG LEU 62 - HB2 LYS 24 lone 4 76 - 5 - 11000/3.0=2, ~9388=1 HB2 LEU 98 - HB2 LYS 19 lone 3 98 - 3 - 3.1/10701=1 HB2 LEU 123 - HB2 LYS 24 lone 3 76 - 4 - 3.2/10701=1 HD2 LYS 95 - HB2 LYS 26 lone 3 78 - 4 - HG LEU 62 - HB2 LYS 19 lone 2 100 - 2 - HD2 LYS 95 - HB2 LYS 24 lone 2 65 - 3 - HB2 LEU 98 - HB2 LYS 26 lone 2 86 - 2 - HD2 LYS 95 - HB2 LYS 19 lone 1 92 - 1 - HG LEU 62 - HB2 LYS 26 lone 1 90 - 1 - HB2 LEU 98 - HB2 LYS 24 lone 1 72 - 1 - HG LEU 43 - HB2 LYS 24 lone 1 60 - 1 - HG LEU 43 - HB2 LYS 26 lone 1 73 - 1 - Peak 256 from cnoeabs.peaks (2.96, 1.75, 32.77 ppm; 3.96 A): 11 out of 33 assignments used, quality = 1.00: * HE2 LYS 19 + HB2 LYS 19 OK 93 100 - 93 - 5.1=47, 3.8/252=17...(53) HE3 LYS 19 + HB2 LYS 19 OK 81 87 - 93 - 5.1=47, 3.8/252=17...(50) HE2 LYS 24 + HB2 LYS 24 OK 63 72 - 88 - 5.1=48, 561/2.9=7...(68) HE3 LYS 24 + HB2 LYS 24 OK 62 72 - 85 - 5.1=48, 1.8/558=7...(55) HE2 LYS 24 + HB2 LYS 19 OK 58 98 - 59 - 318/3.0=7, 558=4, ~318=4...(25) HE3 LYS 24 + HB2 LYS 19 OK 54 98 - 55 - 318/3.0=6, ~318=4...(26) HE2 LYS 19 + HB2 LYS 26 OK 49 90 - 54 - 3.8/252=7, 2.9/305=4...(26) HE3 LYS 26 + HB2 LYS 26 OK 48 53 - 91 - 4.8=56, 3.6/628=11...(62) HE2 LYS 26 + HB2 LYS 26 OK 48 53 - 91 - 4.8=56, 3.6/628=11...(62) HE2 LYS 24 + HB2 LYS 26 OK 48 86 - 56 - 558=4, 4.0/514=4...(26) HE2 LYS 19 + HB2 LYS 24 OK 47 77 - 61 - 3.8/252=7, 2.9/305=4...(35) HE2 LYS 31 - HB2 LYS 26 OK 45 73 - 61 - 3.7/834=4, 3.7/823=4...(37) HE2 LYS 31 - HB2 LYS 19 OK 42 87 - 48 - 329/3.0=4, 3.7/823=3...(17) HE3 LYS 24 - HB2 LYS 26 OK 42 86 - 49 - 1.8/558=4, 4.0/514=4...(25) HE3 LYS 19 - HB2 LYS 26 OK 36 73 - 49 - 3.8/252=7, 2.9/305=4...(29) HE3 LYS 19 - HB2 LYS 24 OK 36 60 - 60 - 3.8/252=7, 2.9/305=4...(36) HE2 LYS 26 - HB2 LYS 19 OK 34 65 - 53 - 3.6/628=6, 3.6/639=4...(26) HE3 LYS 26 - HB2 LYS 19 OK 34 65 - 53 - 3.6/628=6, 3.6/639=4...(26) HE2 LYS 31 - HB2 LYS 24 OK 34 60 - 56 - 3.7/823=5, 3.7/834=5...(36) HE3 LYS 31 - HB2 LYS 26 OK 33 53 - 62 - 3.7/834=4, 3.7/823=4...(37) HE2 LYS 36 - HB2 LYS 19 OK 33 100 - 32 - 318/3.0=4, 558=2, ~318=2...(11) HE3 LYS 31 - HB2 LYS 19 OK 32 65 - 49 - 329/3.0=4, 3.7/823=3...(13) HE3 LYS 36 - HB2 LYS 19 OK 30 98 - 30 - 318/3.0=3, ~318=2...(7) HE2 LYS 36 - HB2 LYS 24 OK 25 76 - 33 - 520/2.9=3, 558=2...(10) HE3 LYS 31 - HB2 LYS 24 OK 25 43 - 58 - 3.7/823=5, 3.7/834=5...(37) HE2 LYS 26 - HB2 LYS 24 OK 24 43 - 57 - 3.6/628=7, 3.6/639=4...(34) HE3 LYS 26 - HB2 LYS 24 OK 24 43 - 57 - 3.6/628=7, 3.6/639=4...(34) HE3 LYS 36 - HB2 LYS 24 OK 23 72 - 32 - 520/2.9=2, 1.8/558=2...(15) HE2 LYS 36 - HB2 LYS 26 OK 22 90 - 24 - 558=1, 560/3.0=1...(5) HE3 LYS 36 - HB2 LYS 26 OK 19 86 - 22 - 1.8/558=1, ~1041=1, ~1030=1 HE3 LYS 86 - HB2 LYS 19 lone 5 100 - 5 - HE3 LYS 86 - HB2 LYS 24 lone 4 76 - 5 - HE3 LYS 86 - HB2 LYS 26 lone 3 90 - 3 - Peak 257 from cnoeabs.peaks (2.96, 1.75, 32.77 ppm; 3.96 A): 14 out of 33 assignments used, quality = 1.00: * HE3 LYS 19 + HB2 LYS 19 OK 93 100 - 93 - 5.1=47, 3.8/252=17...(50) HE2 LYS 19 + HB2 LYS 19 OK 81 87 - 93 - 5.1=47, 3.8/252=17...(53) HE2 LYS 26 + HB2 LYS 26 OK 78 86 - 91 - 4.8=56, 3.6/628=11...(62) HE3 LYS 26 + HB2 LYS 26 OK 78 86 - 91 - 4.8=56, 3.6/628=11...(62) HE3 LYS 24 + HB2 LYS 24 OK 62 72 - 85 - 5.1=48, 1.8/558=7...(55) HE2 LYS 31 + HB2 LYS 26 OK 57 90 - 64 - 635/3.0=4, 3.7/834=4...(37) HE3 LYS 31 + HB2 LYS 26 OK 56 86 - 65 - 634/3.0=5, 3.7/834=4...(37) HE3 LYS 26 + HB2 LYS 19 OK 54 98 - 55 - 3.6/628=6, 329/3.0=4...(27) HE2 LYS 26 + HB2 LYS 19 OK 54 98 - 55 - 3.6/628=6, 329/3.0=4...(27) HE3 LYS 24 + HB2 LYS 19 OK 52 98 - 53 - 318/3.0=5, ~318=4...(26) HE3 LYS 31 + HB2 LYS 19 OK 51 98 - 52 - 329/3.0=5, 3.7/823=3...(17) HE2 LYS 31 + HB2 LYS 19 OK 50 100 - 50 - 329/3.0=5, 3.7/823=3...(20) HE3 LYS 19 + HB2 LYS 26 OK 46 90 - 51 - 3.8/252=7, 2.9/305=4...(29) HE3 LYS 19 + HB2 LYS 24 OK 46 77 - 60 - 3.8/252=7, 2.9/305=4...(36) HE2 LYS 31 - HB2 LYS 24 OK 43 77 - 56 - 3.7/823=5, 3.7/834=5...(36) HE3 LYS 31 - HB2 LYS 24 OK 43 72 - 59 - 3.7/823=5, 3.7/834=5...(37) HE3 LYS 24 - HB2 LYS 26 OK 43 86 - 50 - 1.8/558=4, 4.0/514=4...(25) HE2 LYS 26 - HB2 LYS 24 OK 42 72 - 58 - 3.6/628=7, 3.6/639=4...(34) HE3 LYS 26 - HB2 LYS 24 OK 42 72 - 58 - 3.6/628=7, 3.6/639=4...(34) HE2 LYS 19 - HB2 LYS 26 OK 39 73 - 53 - 3.8/252=7, 2.9/305=4...(27) HE2 LYS 24 - HB2 LYS 24 OK 37 43 - 86 - 5.1=48, 4.0/283=5...(68) HE2 LYS 24 - HB2 LYS 19 OK 36 65 - 56 - 318/3.0=5, ~318=4...(25) HE2 LYS 19 - HB2 LYS 24 OK 35 60 - 58 - 3.8/252=7, 2.9/305=4...(35) HE3 LYS 36 - HB2 LYS 19 OK 28 98 - 29 - 318/3.0=2, ~318=2...(6) HE2 LYS 24 - HB2 LYS 26 OK 28 53 - 53 - 4.0/514=4, 4.0/283=3...(26) HE2 LYS 36 - HB2 LYS 19 OK 24 81 - 29 - 318/3.0=3, ~318=2...(8) HE3 LYS 36 - HB2 LYS 24 OK 23 72 - 31 - 1.8/558=2, ~520=2...(14) HE3 LYS 36 - HB2 LYS 26 OK 20 86 - 23 - 1.8/558=1, 624/1.8=1...(5) HE2 LYS 36 - HB2 LYS 24 OK 16 55 - 30 - 521/2.9=1, ~520=1...(9) HE2 LYS 36 - HB2 LYS 26 OK 15 67 - 23 - ~1041=1, ~1030=1 HE3 LYS 86 - HB2 LYS 19 lone 4 92 - 4 - HE3 LYS 86 - HB2 LYS 24 lone 3 65 - 5 - HE3 LYS 86 - HB2 LYS 26 lone 3 78 - 3 - Peak 258 from cnoeabs.peaks (8.06, 1.75, 32.77 ppm; 3.82 A): 3 out of 3 assignments used, quality = 0.93: * H VAL 20 + HB2 LYS 19 OK 89 100 - 89 - 4.6=58, 6159/3.9=27...(8) H VAL 20 + HB2 LYS 26 OK 25 90 - 28 - 6161=8, 6160/3.0=5...(8) H VAL 20 + HB2 LYS 24 OK 21 77 - 28 - 6161=7, 269/1.8=6...(7) Peak 259 from cnoeabs.peaks (8.35, 1.81, 32.77 ppm; 2.80 A): 3 out of 8 assignments used, quality = 0.89: * H LYS 19 + HB3 LYS 19 OK 78 100 - 78 - 3.9=36, 248/1.8=19...(17) H LYS 19 + HB3 LYS 31 OK 34 100 - 34 - 10806/4.6=9, 6150=7...(8) H LYS 19 + HB3 LYS 24 OK 25 86 - 29 - 6149/1.8=6, 6150=6...(8) H LYS 86 - HB3 LYS 19 lone 4 65 - 6 - 270/3.0=1 H LYS 19 - HB2 LYS 36 lone 2 31 - 7 - 6150=1, 6144/4.6=1 H LYS 86 - HB3 LYS 31 lone 2 65 - 3 - H LYS 86 - HB3 LYS 24 lone 1 50 - 3 - H LYS 86 - HB2 LYS 36 lone 0 16 - 2 - Peak 260 from cnoeabs.peaks (4.27, 1.81, 32.77 ppm; 2.61 A): 3 out of 40 assignments used, quality = 0.96: * HA LYS 19 + HB3 LYS 19 OK 88 100 - 88 - 3.0=69, 241/3.0=12...(23) HA LYS 31 + HB3 LYS 31 OK 46 56 - 81 - 3.0=65, 3.0/6332=7...(18) HA LYS 26 + HB3 LYS 19 OK 34 99 - 35 - 241/3.0=5, 240=3...(11) HA LYS 26 - HB3 LYS 24 OK 33 84 - 39 - 240=4, 595/1.8=3...(18) HA LYS 19 - HB3 LYS 31 OK 33 100 - 33 - 3.0/259=4, 240=4...(8) HA LYS 26 - HB3 LYS 31 OK 31 99 - 32 - 240=3, 597/3.0=2...(10) HA LYS 19 - HB3 LYS 24 OK 32 86 - 37 - 240=4, 3.0/259=3...(12) HA LYS 31 - HB3 LYS 19 OK 16 57 - 28 - 3.6/6344=3, 3.0/6332=2...(11) HA LYS 36 - HB2 LYS 36 OK 15 18 - 81 - 3.0=65, 978/3.0=8...(16) HA LYS 31 - HB3 LYS 24 OK 13 43 - 29 - 3.0/6332=3, 791=2...(10) HA LYS 36 - HB3 LYS 31 OK 12 72 - 16 - 975=2, 3.0/6392=2, 3.0/997=2 HA LYS 36 - HB3 LYS 24 poor 8 57 - 15 - 975=2, 977/2.9=2...(4) HA LYS 36 - HB3 LYS 19 lone 7 73 - 9 - HA PHE 87 - HB3 LYS 19 lone 5 99 - 5 - HA LYS 26 - HB2 LYS 36 poor 4 30 - 12 - 596=1, 598/3.0=1, 996/1.8=1 HB THR 115 - HB3 LYS 24 lone 3 63 - 5 - 10191/2.9=1, ~10196=1 HA LYS 19 - HB2 LYS 36 lone 3 31 - 8 - HA LYS 31 - HB2 LYS 36 poor 2 13 - 16 - 996/1.8=2, 791=1...(5) HA ALA 109 - HB3 LYS 31 lone 2 56 - 3 - HA ALA 108 - HB3 LYS 31 lone 2 56 - 3 - HA LEU 22 - HB3 LYS 31 lone 1 56 - 3 - HB THR 115 - HB2 LYS 36 lone 2 21 - 7 - 10191/3.0=2, ~10196=2 HB THR 115 - HB3 LYS 19 lone 1 81 - 2 - HB THR 115 - HB3 LYS 31 lone 1 80 - 1 - HA PHE 87 - HB3 LYS 31 lone 1 99 - 1 - HA PHE 87 - HB3 LYS 24 lone 1 84 - 1 - HA ALA 16 - HB3 LYS 31 lone 1 65 - 1 - HA LEU 22 - HB3 LYS 19 lone 1 57 - 1 - HA LEU 22 - HB3 LYS 24 lone 0 43 - 1 - HA ALA 108 - HB3 LYS 19 lone 0 57 - 1 - HA ALA 109 - HB3 LYS 19 lone 0 57 - 1 - HA ALA 108 - HB2 LYS 36 lone 0 13 - 3 - HA ALA 16 - HB3 LYS 19 lone 0 65 - 0 - HA LEU 22 - HB2 LYS 36 lone 0 13 - 2 - HA ALA 108 - HB3 LYS 24 lone 0 43 - 1 - HA ALA 109 - HB2 LYS 36 lone 0 13 - 2 - HA ALA 109 - HB3 LYS 24 lone 0 43 - 1 - HA ALA 16 - HB3 LYS 24 lone 0 50 - 0 - HA PHE 87 - HB2 LYS 36 lone 0 30 - 1 - HA ALA 16 - HB2 LYS 36 lone 0 16 - 1 - Peak 261 from cnoeabs.peaks (1.75, 1.81, 32.77 ppm; 2.50 A): 3 out of 24 assignments used, quality = 1.00: * HB2 LYS 19 + HB3 LYS 19 OK 100 100 - 100 - 1.8=100 HB2 LYS 24 + HB3 LYS 24 OK 82 82 - 100 - 1.8=100 HB2 LYS 31 + HB3 LYS 31 OK 80 80 - 100 - 1.8=100 HB2 LYS 24 - HB3 LYS 19 OK 41 98 - 41 - 252/3.0=4, 251=3...(19) HB2 LYS 24 - HB3 LYS 31 OK 39 97 - 40 - 3.0/482=3, 251=3...(14) HB2 LYS 26 - HB3 LYS 31 OK 37 100 - 37 - 251=3, 3.0/815=2...(12) HB2 LYS 19 - HB3 LYS 24 OK 36 86 - 42 - 3.0/263=4, 251=3...(19) HB2 LYS 26 - HB3 LYS 19 OK 36 100 - 36 - 252/3.0=4, 251=3...(15) HB2 LYS 19 - HB3 LYS 31 OK 36 100 - 36 - 3.0/263=4, 251=3...(15) HB2 LYS 26 - HB3 LYS 24 OK 34 86 - 40 - 491/3.0=4, 251=3...(16) HB2 LYS 31 - HB3 LYS 19 OK 30 81 - 37 - 802=3, 272/3.0=3...(14) HB2 LYS 31 - HB3 LYS 24 OK 28 63 - 44 - 802=4, 3.0/835=3...(14) HB2 ARG 23 - HB3 LYS 24 OK 10 74 - 14 - 6213/4.1=3, 481/3.0=2, ~436=1 HB2 ARG 23 - HB3 LYS 19 lone 6 92 - 7 - 4.2/6221=1 HB2 LYS 26 - HB2 LYS 36 poor 4 31 - 14 - ~997=1 HB2 LYS 24 - HB2 LYS 36 poor 4 29 - 14 - ~997=1, ~999=1, 2.9/515=1 HB2 LYS 31 - HB2 LYS 36 poor 4 21 - 19 - 3.0/791=2, 802=2, ~997=1...(5) HB2 LYS 19 - HB2 LYS 36 lone 3 31 - 9 - HB2 ARG 23 - HB3 LYS 31 lone 2 91 - 3 - 4.2/6221=1 HG13 ILE 129 - HB3 LYS 31 lone 2 86 - 2 - HG13 ILE 129 - HB3 LYS 19 lone 1 87 - 2 - HG13 ILE 129 - HB3 LYS 24 lone 1 69 - 2 - HB2 ARG 23 - HB2 LYS 36 lone 0 25 - 1 - HG13 ILE 129 - HB2 LYS 36 lone 0 23 - 1 - Peak 262 from cnoeabs.peaks (1.81, 1.81, 32.77 ppm; diagonal): 3 out of 4 assignments used, quality = 1.00: * HB3 LYS 19 + HB3 LYS 19 OK 100 100 - 100 HB3 LYS 31 + HB3 LYS 31 OK 100 100 - 100 HB3 LYS 24 + HB3 LYS 24 OK 84 84 - 100 HB2 LYS 36 - HB2 LYS 36 OK 25 25 - 100 Peak 263 from cnoeabs.peaks (1.36, 1.81, 32.77 ppm; 2.60 A): 3 out of 8 assignments used, quality = 0.97: * HG2 LYS 19 + HB3 LYS 19 OK 90 100 - 90 - 3.0=67, 252/1.8=16...(37) HG2 LYS 19 + HB3 LYS 24 OK 42 86 - 49 - 273=8, 252/1.8=7...(20) HG2 LYS 19 + HB3 LYS 31 OK 42 100 - 42 - 273=7, 272/1.8=4...(14) QB ALA 12 - HB3 LYS 19 lone 8 92 - 9 - 6151/3.9=2, 252/1.8=1...(4) HG2 LYS 19 - HB2 LYS 36 lone 3 31 - 9 - 273=1 QB ALA 12 - HB3 LYS 31 lone 1 91 - 1 - QB ALA 12 - HB3 LYS 24 lone 1 74 - 1 - QB ALA 12 - HB2 LYS 36 lone 0 25 - 0 - Peak 264 from cnoeabs.peaks (1.44, 1.81, 32.77 ppm; 2.68 A): 5 out of 16 assignments used, quality = 1.00: * HG3 LYS 19 + HB3 LYS 19 OK 92 100 - 92 - 3.0=73, 1.8/263=16...(35) HG2 LYS 31 + HB3 LYS 31 OK 88 99 - 89 - 3.0=73, 1.8/815=9...(22) HG3 LYS 24 + HB3 LYS 24 OK 76 84 - 90 - 2.9=76, 524/3.0=8...(17) HG3 LYS 24 + HB3 LYS 31 OK 48 99 - 49 - 803/1.8=4, 836/3.0=4...(17) HG3 LYS 24 + HB3 LYS 19 OK 48 99 - 48 - 285/3.0=7, 284=4...(20) HG3 LYS 19 - HB3 LYS 24 OK 45 86 - 52 - 1.8/263=7, 524/3.0=5...(18) HG3 LYS 19 - HB3 LYS 31 OK 44 100 - 44 - 1.8/263=7, 803/1.8=4...(15) HG2 LYS 31 - HB3 LYS 24 OK 43 84 - 51 - 824=6, 823/1.8=5...(15) HG2 LYS 31 - HB3 LYS 19 OK 43 99 - 43 - 824=5, 1.8/835=4...(14) HG13 ILE 32 - HB3 LYS 31 OK 32 91 - 35 - 919/4.6=5, 792/3.0=3...(14) HG13 ILE 32 - HB3 LYS 19 OK 23 92 - 25 - ~10738=2, 921=2...(12) HG13 ILE 32 - HB3 LYS 24 OK 12 74 - 16 - ~10738=2, 921=2...(4) HG3 LYS 24 - HB2 LYS 36 poor 7 30 - 22 - ~999=2, 1.8/515=2, 526=2...(6) HG2 LYS 31 - HB2 LYS 36 poor 6 30 - 20 - 824=2, 1.8/835=2...(5) HG3 LYS 19 - HB2 LYS 36 lone 3 31 - 9 - 1.8/273=1 HG13 ILE 32 - HB2 LYS 36 lone 2 25 - 10 - 1.8/913=1, 3.2/905=1...(5) Peak 265 from cnoeabs.peaks (1.65, 1.81, 32.77 ppm; 2.67 A): 2 out of 32 assignments used, quality = 0.96: HD3 LYS 19 + HB3 LYS 19 OK 81 100 - 81 - 3.9=31, 3.0/263=10...(38) * HD2 LYS 19 + HB3 LYS 19 OK 81 100 - 81 - 3.9=31, 3.0/263=10...(38) HD3 LYS 19 - HB3 LYS 24 OK 40 86 - 47 - 3.0/263=5, 306=5...(20) HD2 LYS 19 - HB3 LYS 24 OK 40 86 - 47 - 3.0/263=5, 306=5...(20) HD3 LYS 19 - HB3 LYS 31 OK 37 100 - 37 - 3.0/263=5, 306=4...(11) HD2 LYS 19 - HB3 LYS 31 OK 37 100 - 37 - 3.0/263=5, 306=4...(11) HD3 LYS 26 - HB3 LYS 31 OK 27 65 - 42 - 2.9/815=2, 2.9/629=2...(12) HD3 LYS 26 - HB3 LYS 19 OK 21 65 - 32 - 277/3.0=2, ~628=2...(10) HD3 LYS 26 - HB3 LYS 24 OK 20 50 - 41 - 2.9/629=2, ~628=2...(14) HB2 LEU 123 - HB3 LYS 19 lone 10 100 - 10 - ~10701=2, ~10748=2, 6165/4.6=1 HD2 LYS 95 - HB3 LYS 31 lone 8 91 - 8 - HG LEU 43 - HB3 LYS 19 lone 7 87 - 9 - ~11088=6, 277/3.0=1 HB2 LEU 123 - HB2 LYS 36 poor 7 31 - 24 - 3922/1.8=4, ~10900=3...(11) HG LEU 62 - HB3 LYS 24 lone 3 86 - 4 - 11000/3.0=1 HD3 LYS 19 - HB2 LYS 36 poor 3 31 - 10 - HD2 LYS 19 - HB2 LYS 36 poor 3 31 - 10 - HB2 LEU 123 - HB3 LYS 24 lone 3 86 - 3 - HB2 LEU 98 - HB3 LYS 19 lone 2 98 - 2 - HD2 LYS 95 - HB3 LYS 24 lone 2 74 - 3 - HG LEU 62 - HB3 LYS 19 lone 2 100 - 2 - HB2 LEU 98 - HB3 LYS 31 lone 1 97 - 1 - HD3 LYS 26 - HB2 LYS 36 lone 1 16 - 8 - ~999=1 HD2 LYS 95 - HB3 LYS 19 lone 1 92 - 1 - HB2 LEU 123 - HB3 LYS 31 lone 1 100 - 1 - HB2 LEU 98 - HB3 LYS 24 lone 1 82 - 1 - HG LEU 43 - HB3 LYS 24 lone 1 69 - 1 - HG LEU 62 - HB3 LYS 31 lone 0 100 - 0 - HB2 LEU 98 - HB2 LYS 36 lone 0 29 - 2 - HG LEU 43 - HB3 LYS 31 lone 0 86 - 0 - HD2 LYS 95 - HB2 LYS 36 lone 0 25 - 1 - HG LEU 62 - HB2 LYS 36 lone 0 31 - 0 - HG LEU 43 - HB2 LYS 36 lone 0 23 - 0 - Peak 266 from cnoeabs.peaks (1.65, 1.81, 32.77 ppm; 2.67 A): 2 out of 32 assignments used, quality = 0.96: * HD3 LYS 19 + HB3 LYS 19 OK 81 100 - 81 - 3.9=31, 3.0/263=10...(38) HD2 LYS 19 + HB3 LYS 19 OK 81 100 - 81 - 3.9=31, 3.0/263=10...(38) HD3 LYS 19 - HB3 LYS 24 OK 40 86 - 47 - 3.0/263=5, 306=5...(20) HD2 LYS 19 - HB3 LYS 24 OK 40 86 - 47 - 3.0/263=5, 306=5...(20) HD3 LYS 19 - HB3 LYS 31 OK 37 100 - 37 - 3.0/263=5, 306=4...(11) HD2 LYS 19 - HB3 LYS 31 OK 37 100 - 37 - 3.0/263=5, 306=4...(11) HD3 LYS 26 - HB3 LYS 31 OK 27 65 - 42 - 2.9/815=2, 2.9/629=2...(12) HD3 LYS 26 - HB3 LYS 19 OK 21 65 - 32 - 277/3.0=2, ~628=2...(10) HD3 LYS 26 - HB3 LYS 24 OK 20 50 - 41 - 2.9/629=2, ~628=2...(14) HB2 LEU 123 - HB3 LYS 19 lone 10 100 - 10 - ~10701=2, ~10748=2, 6165/4.6=1 HD2 LYS 95 - HB3 LYS 31 lone 8 91 - 8 - HG LEU 43 - HB3 LYS 19 lone 7 87 - 9 - ~11088=6, 277/3.0=1 HB2 LEU 123 - HB2 LYS 36 poor 7 31 - 24 - 3922/1.8=4, ~10900=3...(11) HG LEU 62 - HB3 LYS 24 lone 3 86 - 4 - 11000/3.0=1 HD3 LYS 19 - HB2 LYS 36 poor 3 31 - 10 - HD2 LYS 19 - HB2 LYS 36 poor 3 31 - 10 - HB2 LEU 123 - HB3 LYS 24 lone 3 86 - 3 - HB2 LEU 98 - HB3 LYS 19 lone 2 98 - 2 - HD2 LYS 95 - HB3 LYS 24 lone 2 74 - 3 - HG LEU 62 - HB3 LYS 19 lone 2 100 - 2 - HB2 LEU 98 - HB3 LYS 31 lone 1 97 - 1 - HD3 LYS 26 - HB2 LYS 36 lone 1 16 - 8 - ~999=1 HD2 LYS 95 - HB3 LYS 19 lone 1 92 - 1 - HB2 LEU 123 - HB3 LYS 31 lone 1 100 - 1 - HB2 LEU 98 - HB3 LYS 24 lone 1 82 - 1 - HG LEU 43 - HB3 LYS 24 lone 1 69 - 1 - HG LEU 62 - HB3 LYS 31 lone 0 100 - 0 - HB2 LEU 98 - HB2 LYS 36 lone 0 29 - 2 - HG LEU 43 - HB3 LYS 31 lone 0 86 - 0 - HD2 LYS 95 - HB2 LYS 36 lone 0 25 - 1 - HG LEU 62 - HB2 LYS 36 lone 0 31 - 0 - HG LEU 43 - HB2 LYS 36 lone 0 23 - 0 - Peak 267 from cnoeabs.peaks (2.96, 1.81, 32.77 ppm; 3.79 A): 12 out of 44 assignments used, quality = 1.00: * HE2 LYS 19 + HB3 LYS 19 OK 91 100 - 91 - 5.1=42, 318/3.0=15...(50) HE3 LYS 19 + HB3 LYS 19 OK 78 87 - 90 - 5.1=42, 3.8/263=15...(44) HE2 LYS 31 + HB3 LYS 31 OK 76 86 - 88 - 4.8=48, 3.7/815=9...(63) HE2 LYS 24 + HB3 LYS 24 OK 69 82 - 85 - 5.1=42, 561/2.9=7...(62) HE3 LYS 24 + HB3 LYS 24 OK 67 82 - 82 - 5.1=42, 520/2.9=5...(50) HE3 LYS 31 + HB3 LYS 31 OK 58 65 - 89 - 4.8=48, 3.7/815=9...(66) HE2 LYS 24 + HB3 LYS 31 OK 57 97 - 59 - 558/1.8=4, 561/3.0=3...(33) HE2 LYS 24 + HB3 LYS 19 OK 54 98 - 55 - 318/3.0=6, 558/1.8=4...(25) HE2 LYS 19 + HB3 LYS 31 OK 54 100 - 54 - 3.8/263=7, 2.9/266=3...(27) HE3 LYS 24 + HB3 LYS 31 OK 50 97 - 52 - ~558=3, 4.0/515=3...(28) HE2 LYS 19 + HB3 LYS 24 OK 50 86 - 58 - 3.8/263=7, 2.9/306=4...(35) HE3 LYS 24 + HB3 LYS 19 OK 49 98 - 51 - 318/3.0=6, ~318=4...(25) HE2 LYS 31 - HB3 LYS 19 OK 42 87 - 48 - 3.7/835=5, 3.7/824=5...(17) HE3 LYS 19 - HB3 LYS 31 OK 41 86 - 48 - 3.8/263=7, 2.9/265=3...(26) HE2 LYS 26 - HB3 LYS 31 OK 40 65 - 61 - 3.6/815=3, 3.6/629=3...(36) HE3 LYS 26 - HB3 LYS 31 OK 40 65 - 61 - 3.6/815=3, 3.6/629=3...(36) HE3 LYS 19 - HB3 LYS 24 OK 39 69 - 56 - 3.8/263=7, 2.9/306=4...(36) HE2 LYS 31 - HB3 LYS 24 OK 38 69 - 56 - 3.7/835=5, 3.7/824=5...(30) HE2 LYS 36 - HB3 LYS 31 OK 35 100 - 35 - 4.0/1019=2, 4.0/1008=2...(10) HE3 LYS 31 - HB3 LYS 19 OK 32 65 - 49 - 3.7/835=5, 3.7/824=5...(13) HE3 LYS 36 - HB3 LYS 31 OK 32 97 - 32 - 4.0/1019=2, 4.0/1008=2...(12) HE2 LYS 36 - HB3 LYS 19 OK 32 100 - 31 - 318/3.0=4, 558/1.8=2...(12) HE2 LYS 26 - HB3 LYS 19 OK 31 65 - 47 - 329/3.0=3, ~329=2...(21) HE3 LYS 26 - HB3 LYS 19 OK 31 65 - 47 - 329/3.0=3, ~329=2...(21) HE2 LYS 36 - HB3 LYS 24 OK 30 86 - 35 - 520/2.9=2, 4.0/1008=2...(10) HE3 LYS 36 - HB3 LYS 19 OK 29 98 - 29 - 318/3.0=3, ~318=2...(12) HE3 LYS 31 - HB3 LYS 24 OK 29 50 - 57 - 3.7/835=5, 3.7/824=5...(31) HE2 LYS 36 - HB2 LYS 36 OK 28 31 - 91 - 4.9=46, 1053/1.8=10...(39) HE3 LYS 36 - HB3 LYS 24 OK 28 82 - 34 - 4.0/1008=2, 4.0/1019=2...(14) HE3 LYS 36 - HB2 LYS 36 OK 26 29 - 92 - 4.9=46, 1064/1.8=10...(39) HE2 LYS 26 - HB3 LYS 24 OK 26 50 - 51 - 3.6/629=3, 3.6/505=2...(21) HE3 LYS 26 - HB3 LYS 24 OK 26 50 - 51 - 3.6/629=3, 3.6/505=2...(21) HE2 LYS 24 - HB2 LYS 36 OK 14 29 - 50 - 1053/1.8=5, 1014/3.0=4...(31) HE3 LYS 24 - HB2 LYS 36 OK 13 29 - 46 - 1064/1.8=5, ~1053=3...(28) HE2 LYS 19 - HB2 LYS 36 poor 8 31 - 26 - 1053/1.8=3, 1025/3.0=2...(11) HE2 LYS 31 - HB2 LYS 36 poor 8 23 - 33 - 1064/1.8=3, 3.7/835=2...(11) HE3 LYS 86 - HB3 LYS 31 lone 7 100 - 7 - HE3 LYS 19 - HB2 LYS 36 poor 6 23 - 27 - 1064/1.8=2, ~1053=2...(14) HE3 LYS 31 - HB2 LYS 36 poor 6 16 - 35 - ~1064=2, 3.7/835=2...(15) HE3 LYS 86 - HB3 LYS 19 lone 4 100 - 4 - HE3 LYS 86 - HB3 LYS 24 lone 4 86 - 4 - HE3 LYS 86 - HB2 LYS 36 poor 3 31 - 11 - ~2697=3, 1053/1.8=1...(4) HE2 LYS 26 - HB2 LYS 36 poor 2 16 - 14 - 3.6/629=1, 3.6/640=1 HE3 LYS 26 - HB2 LYS 36 poor 2 16 - 14 - 3.6/629=1, 3.6/640=1 Peak 268 from cnoeabs.peaks (2.96, 1.81, 32.77 ppm; 3.79 A): 18 out of 44 assignments used, quality = 1.00: * HE3 LYS 19 + HB3 LYS 19 OK 90 100 - 90 - 5.1=42, 3.8/263=15...(44) HE2 LYS 31 + HB3 LYS 31 OK 89 100 - 89 - 4.8=48, 3.7/815=9...(63) HE3 LYS 31 + HB3 LYS 31 OK 88 97 - 90 - 4.8=48, 3.7/815=9...(66) HE2 LYS 19 + HB3 LYS 19 OK 78 87 - 90 - 5.1=42, 3.8/263=15...(50) HE3 LYS 24 + HB3 LYS 24 OK 67 82 - 82 - 5.1=42, 4.0/515=5...(50) HE2 LYS 26 + HB3 LYS 31 OK 62 97 - 64 - 841/3.0=4, 830/3.0=4...(36) HE3 LYS 26 + HB3 LYS 31 OK 62 97 - 64 - 841/3.0=4, 830/3.0=4...(36) HE3 LYS 24 + HB3 LYS 31 OK 51 97 - 53 - 840/3.0=3, ~558=3...(28) HE3 LYS 31 + HB3 LYS 19 OK 50 98 - 51 - 3.7/835=5, 3.7/824=5...(16) HE3 LYS 19 + HB3 LYS 31 OK 50 100 - 50 - 3.8/263=7, 2.9/266=3...(28) HE2 LYS 31 + HB3 LYS 19 OK 50 100 - 50 - 329/3.0=5, 3.7/835=5...(18) HE3 LYS 26 + HB3 LYS 19 OK 49 98 - 50 - 329/3.0=4, ~329=2...(23) HE2 LYS 26 + HB3 LYS 19 OK 49 98 - 50 - 329/3.0=4, ~329=2...(23) HE3 LYS 19 + HB3 LYS 24 OK 48 86 - 56 - 3.8/263=7, 2.9/306=4...(36) HE2 LYS 31 + HB3 LYS 24 OK 48 86 - 56 - 3.7/835=5, 3.7/824=5...(30) HE3 LYS 31 + HB3 LYS 24 OK 48 82 - 59 - 3.7/835=5, 3.7/824=5...(31) HE3 LYS 24 + HB3 LYS 19 OK 48 98 - 49 - 329/3.0=5, ~318=4...(25) HE2 LYS 19 + HB3 LYS 31 OK 45 86 - 52 - 3.8/263=7, 2.9/265=3...(27) HE3 LYS 26 - HB3 LYS 24 OK 43 82 - 53 - 3.6/629=3, 3.6/505=2...(22) HE2 LYS 26 - HB3 LYS 24 OK 43 82 - 53 - 3.6/629=3, 3.6/505=2...(22) HE2 LYS 24 - HB3 LYS 24 OK 41 50 - 83 - 5.1=42, 4.0/515=5...(62) HE2 LYS 19 - HB3 LYS 24 OK 38 69 - 55 - 3.8/263=7, 2.9/306=4...(35) HE2 LYS 24 - HB3 LYS 31 OK 36 65 - 56 - 4.0/515=3, 4.0/284=3...(31) HE2 LYS 24 - HB3 LYS 19 OK 34 65 - 52 - 318/3.0=5, ~318=4...(25) HE3 LYS 36 - HB3 LYS 31 OK 32 97 - 33 - 4.0/1019=2, 4.0/1008=2...(11) HE3 LYS 36 - HB3 LYS 19 OK 28 98 - 28 - 318/3.0=2, ~318=2...(10) HE3 LYS 36 - HB3 LYS 24 OK 27 82 - 33 - 4.0/1008=2, 4.0/1019=2...(13) HE3 LYS 36 - HB2 LYS 36 OK 26 29 - 92 - 4.9=46, 1064/1.8=10...(39) HE2 LYS 36 - HB3 LYS 31 OK 26 80 - 33 - 4.0/1019=2, 4.0/1008=2...(9) HE2 LYS 36 - HB3 LYS 19 OK 23 81 - 28 - 318/3.0=3, ~318=2...(10) HE2 LYS 36 - HB3 LYS 24 OK 20 63 - 32 - 4.0/1008=2, 4.0/1019=2...(9) HE2 LYS 36 - HB2 LYS 36 OK 19 21 - 91 - 4.9=46, ~1042=8, ~1031=8...(39) HE3 LYS 24 - HB2 LYS 36 OK 13 29 - 46 - 1064/1.8=5, ~1053=3...(28) HE3 LYS 31 - HB2 LYS 36 OK 10 29 - 36 - ~1064=2, 3.7/835=2...(17) HE2 LYS 31 - HB2 LYS 36 OK 10 31 - 34 - 1064/1.8=3, 3.7/835=2...(11) HE3 LYS 19 - HB2 LYS 36 poor 9 31 - 27 - 1064/1.8=2, ~1053=2...(14) HE2 LYS 24 - HB2 LYS 36 poor 7 16 - 47 - 1053/1.8=3, ~1064=3...(30) HE3 LYS 86 - HB3 LYS 31 lone 6 91 - 7 - HE2 LYS 19 - HB2 LYS 36 poor 6 23 - 24 - 1064/1.8=2, 1026/3.0=2...(10) HE3 LYS 26 - HB2 LYS 36 poor 4 29 - 15 - 3.6/629=1, 3.6/640=1 HE2 LYS 26 - HB2 LYS 36 poor 4 29 - 15 - 3.6/629=1, 3.6/640=1 HE3 LYS 86 - HB3 LYS 19 lone 3 92 - 3 - HE3 LYS 86 - HB3 LYS 24 lone 3 74 - 4 - HE3 LYS 86 - HB2 LYS 36 lone 3 25 - 10 - ~2697=3, 1064/1.8=1, 1026/3.0=1 Peak 269 from cnoeabs.peaks (8.06, 1.81, 32.77 ppm; 3.89 A): 3 out of 4 assignments used, quality = 0.95: * H VAL 20 + HB3 LYS 19 OK 90 100 - 90 - 4.6=61, 6159/3.9=28...(8) H VAL 20 + HB3 LYS 31 OK 28 100 - 28 - 6162=7, 4.6/259=5...(8) H VAL 20 + HB3 LYS 24 OK 24 86 - 28 - 6162=7, 258/1.8=6...(7) H VAL 20 - HB2 LYS 36 lone 2 31 - 5 - 6162=1 Peak 270 from cnoeabs.peaks (8.35, 1.36, 24.61 ppm; 3.70 A): 1 out of 2 assignments used, quality = 0.93: * H LYS 19 + HG2 LYS 19 OK 93 100 - 93 - 4.9=44, 281/1.8=23...(30) H LYS 86 - HG2 LYS 19 lone 7 65 - 10 - 281/1.8=2, 259/3.0=1, 248/3.0=1 Peak 271 from cnoeabs.peaks (4.27, 1.36, 24.61 ppm; 3.24 A): 2 out of 10 assignments used, quality = 0.96: * HA LYS 19 + HG2 LYS 19 OK 91 100 - 91 - 4.2=47, 3.0/270=20...(35) HA LYS 26 + HG2 LYS 19 OK 53 99 - 53 - 241=14, 3.0/252=6...(16) HA LYS 31 - HG2 LYS 19 OK 23 57 - 40 - 3.0/263=7, 3.0/272=4...(19) HA LYS 36 - HG2 LYS 19 lone 7 73 - 10 - 3.0/273=1 HA PHE 87 - HG2 LYS 19 lone 7 99 - 7 - 9841/3.0=2, 9841/3.0=2 HB THR 115 - HG2 LYS 19 lone 2 81 - 2 - HA ALA 16 - HG2 LYS 19 lone 1 65 - 1 - HA LEU 22 - HG2 LYS 19 lone 1 57 - 1 - HA ALA 108 - HG2 LYS 19 lone 0 57 - 1 - HA ALA 109 - HG2 LYS 19 lone 0 57 - 1 - Peak 272 from cnoeabs.peaks (1.75, 1.36, 24.61 ppm; 2.91 A): 3 out of 6 assignments used, quality = 1.00: * HB2 LYS 19 + HG2 LYS 19 OK 99 100 - 99 - 3.0=94, 1.8/263=18...(43) HB2 LYS 24 + HG2 LYS 19 OK 58 98 - 59 - 252=11, 1.8/263=8...(25) HB2 LYS 26 + HG2 LYS 19 OK 50 100 - 50 - 252=11, 3.0/241=6...(20) HB2 LYS 31 - HG2 LYS 19 OK 39 81 - 48 - 1.8/263=8, 3.0/275=5...(20) HB2 ARG 23 - HG2 LYS 19 OK 10 92 - 11 - 3.7/10729=3, 3.7/10729=3 HG13 ILE 129 - HG2 LYS 19 lone 2 87 - 2 - Peak 273 from cnoeabs.peaks (1.81, 1.36, 24.61 ppm; 2.83 A): 3 out of 9 assignments used, quality = 0.99: * HB3 LYS 19 + HG2 LYS 19 OK 97 100 - 97 - 3.0=86, 1.8/252=18...(41) HB3 LYS 24 + HG2 LYS 19 OK 56 99 - 57 - 263=11, 1.8/252=8...(22) HB3 LYS 31 + HG2 LYS 19 OK 51 100 - 51 - 263=11, 1.8/272=5...(17) HB3 LYS 26 - HG2 LYS 19 OK 36 81 - 45 - 1.8/252=7, 3.0/241=6...(19) HB ILE 32 - HG2 LYS 19 OK 23 87 - 26 - 3.0/10831=7, 900/1.8=3...(8) HB2 LYS 36 - HG2 LYS 19 poor 10 92 - 11 - HB3 LEU 123 - HG2 LYS 19 lone 6 61 - 10 - ~10701=2, 1.8/276=1, ~10748=1 HB2 ARG 84 - HG2 LYS 19 lone 1 98 - 1 - HB3 ARG 135 - HG2 LYS 19 lone 1 87 - 1 - Peak 274 from cnoeabs.peaks (1.36, 1.36, 24.61 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 19 + HG2 LYS 19 OK 100 100 - 100 Peak 275 from cnoeabs.peaks (1.44, 1.36, 24.61 ppm; 2.50 A): 2 out of 4 assignments used, quality = 1.00: * HG3 LYS 19 + HG2 LYS 19 OK 100 100 - 100 - 1.8=100 HG3 LYS 24 + HG2 LYS 19 OK 49 99 - 49 - 285=15, 2.9/263=4...(14) HG2 LYS 31 - HG2 LYS 19 OK 36 99 - 36 - 3.0/263=4, 3.0/272=3...(14) HG13 ILE 32 - HG2 LYS 19 OK 18 92 - 20 - 4.1/10831=5, ~916=1...(7) Peak 276 from cnoeabs.peaks (1.65, 1.36, 24.61 ppm; 2.62 A): 2 out of 8 assignments used, quality = 0.99: HD3 LYS 19 + HG2 LYS 19 OK 92 100 - 92 - 3.0=69, 1.8/296=15...(32) * HD2 LYS 19 + HG2 LYS 19 OK 92 100 - 92 - 3.0=69, 1.8/296=15...(32) HD3 LYS 26 - HG2 LYS 19 OK 20 65 - 31 - 3.5/252=3, 3.0/329=2...(6) HG LEU 43 - HG2 LYS 19 OK 11 87 - 13 - 2.1/11088=9, 287/1.8=1 HB2 LEU 123 - HG2 LYS 19 lone 9 100 - 9 - ~10701=1, ~10748=1 HG LEU 62 - HG2 LYS 19 lone 3 100 - 3 - HB2 LEU 98 - HG2 LYS 19 lone 3 98 - 3 - HD2 LYS 95 - HG2 LYS 19 lone 1 92 - 1 - Peak 277 from cnoeabs.peaks (1.65, 1.36, 24.61 ppm; 2.62 A): 2 out of 8 assignments used, quality = 0.99: * HD3 LYS 19 + HG2 LYS 19 OK 92 100 - 92 - 3.0=69, 1.8/296=15...(32) HD2 LYS 19 + HG2 LYS 19 OK 92 100 - 92 - 3.0=69, 1.8/296=15...(32) HD3 LYS 26 - HG2 LYS 19 OK 20 65 - 31 - 3.5/252=3, 3.0/329=2...(6) HG LEU 43 - HG2 LYS 19 OK 11 87 - 13 - 2.1/11088=9, 287/1.8=1 HB2 LEU 123 - HG2 LYS 19 lone 9 100 - 9 - ~10701=1, ~10748=1 HG LEU 62 - HG2 LYS 19 lone 3 100 - 3 - HB2 LEU 98 - HG2 LYS 19 lone 3 98 - 3 - HD2 LYS 95 - HG2 LYS 19 lone 1 92 - 1 - Peak 278 from cnoeabs.peaks (2.96, 1.36, 24.61 ppm; 3.17 A): 4 out of 11 assignments used, quality = 0.99: * HE2 LYS 19 + HG2 LYS 19 OK 91 100 - 91 - 3.8=58, 2.9/296=14...(35) HE3 LYS 19 + HG2 LYS 19 OK 79 87 - 91 - 3.8=58, 1.8/318=16...(38) HE2 LYS 24 + HG2 LYS 19 OK 49 98 - 50 - 318=9, 1.8/318=6...(14) HE3 LYS 24 + HG2 LYS 19 OK 46 98 - 47 - 318=8, 1.8/318=7...(14) HE2 LYS 31 - HG2 LYS 19 OK 33 87 - 38 - 329=5, 1.8/329=5...(6) HE3 LYS 31 - HG2 LYS 19 OK 26 65 - 40 - 1.8/329=5, 329=4...(6) HE2 LYS 36 - HG2 LYS 19 OK 25 100 - 25 - 318=5, 1.8/318=3, 561/1.8=2 HE2 LYS 26 - HG2 LYS 19 OK 24 65 - 37 - 1.8/329=4, 329=4...(7) HE3 LYS 26 - HG2 LYS 19 OK 24 65 - 37 - 1.8/329=4, 329=4...(7) HE3 LYS 36 - HG2 LYS 19 OK 23 98 - 24 - 318=4, 1.8/318=4...(4) HE3 LYS 86 - HG2 LYS 19 lone 3 100 - 3 - Peak 279 from cnoeabs.peaks (2.96, 1.36, 24.61 ppm; 3.17 A): 2 out of 11 assignments used, quality = 0.98: * HE3 LYS 19 + HG2 LYS 19 OK 91 100 - 91 - 3.8=58, 1.8/318=16...(38) HE2 LYS 19 + HG2 LYS 19 OK 79 87 - 90 - 3.8=58, 2.9/296=14...(35) HE3 LYS 24 - HG2 LYS 19 OK 44 98 - 45 - 1.8/318=7, 318=6...(13) HE3 LYS 31 - HG2 LYS 19 OK 41 98 - 42 - 329=6, 1.8/329=5...(6) HE2 LYS 31 - HG2 LYS 19 OK 40 100 - 40 - 329=6, 1.8/329=5...(8) HE3 LYS 26 - HG2 LYS 19 OK 39 98 - 40 - 329=5, 1.8/329=4...(8) HE2 LYS 26 - HG2 LYS 19 OK 39 98 - 40 - 329=5, 1.8/329=4...(8) HE2 LYS 24 - HG2 LYS 19 OK 30 65 - 47 - 318=7, 1.8/318=6...(13) HE3 LYS 36 - HG2 LYS 19 OK 22 98 - 22 - 1.8/318=4, 318=3, ~561=1 HE2 LYS 36 - HG2 LYS 19 OK 18 81 - 22 - 318=4, 1.8/318=3, 319/1.8=1 HE3 LYS 86 - HG2 LYS 19 lone 2 92 - 2 - Peak 281 from cnoeabs.peaks (8.35, 1.44, 24.61 ppm; 3.63 A): 2 out of 4 assignments used, quality = 0.95: * H LYS 19 + HG3 LYS 19 OK 91 100 - 91 - 4.9=41, 270/1.8=33...(24) H LYS 19 + HG3 LYS 24 OK 46 95 - 49 - 6152=11, 6149/2.9=7...(15) H LYS 86 - HG3 LYS 19 lone 6 65 - 9 - 270/1.8=2, 259/3.0=1, 248/3.0=1 H LYS 86 - HG3 LYS 24 lone 4 58 - 6 - Peak 282 from cnoeabs.peaks (4.27, 1.44, 24.61 ppm; 3.36 A): 4 out of 20 assignments used, quality = 0.99: * HA LYS 19 + HG3 LYS 19 OK 93 100 - 93 - 4.2=53, 241/1.8=27...(32) HA LYS 26 + HG3 LYS 24 OK 58 94 - 63 - 598/1.8=7, 242=7...(31) HA LYS 26 + HG3 LYS 19 OK 53 99 - 53 - 241/1.8=12, 242=6...(16) HA LYS 19 + HG3 LYS 24 OK 53 95 - 55 - 3.0/281=8, 242=7...(24) HA LYS 31 - HG3 LYS 19 OK 25 57 - 44 - 271/1.8=5, 3.6/6345=4...(18) HA LYS 31 - HG3 LYS 24 OK 24 50 - 47 - 3.8/836=4, 3.0/6333=4...(19) HA LYS 36 - HG3 LYS 24 OK 17 65 - 26 - 977/1.8=3, ~999=3...(10) HA LYS 36 - HG3 LYS 19 poor 8 73 - 11 - 271/1.8=1 HA PHE 87 - HG3 LYS 19 lone 8 99 - 8 - 9841/3.0=2, 9841/3.0=2 HB THR 115 - HG3 LYS 24 lone 7 72 - 9 - 10191/1.8=3, ~10196=3 HB THR 115 - HG3 LYS 19 lone 3 81 - 3 - HA PHE 87 - HG3 LYS 24 lone 2 94 - 2 - HA LEU 22 - HG3 LYS 19 lone 1 57 - 1 - HA ALA 108 - HG3 LYS 24 lone 1 50 - 1 - HA ALA 108 - HG3 LYS 19 lone 1 57 - 1 - HA LEU 22 - HG3 LYS 24 lone 1 50 - 1 - HA ALA 109 - HG3 LYS 24 lone 1 50 - 1 - HA ALA 16 - HG3 LYS 19 lone 1 65 - 1 - HA ALA 109 - HG3 LYS 19 lone 1 57 - 1 - HA ALA 16 - HG3 LYS 24 lone 0 58 - 1 - Peak 283 from cnoeabs.peaks (1.75, 1.44, 24.61 ppm; 2.91 A): 6 out of 12 assignments used, quality = 1.00: * HB2 LYS 19 + HG3 LYS 19 OK 99 100 - 99 - 3.0=94, 252/1.8=19...(40) HB2 LYS 24 + HG3 LYS 24 OK 91 91 - 99 - 2.9=98, 3.0/524=9...(24) HB2 LYS 24 + HG3 LYS 19 OK 57 98 - 58 - 252/1.8=8, 3.0/524=5...(23) HB2 LYS 19 + HG3 LYS 24 OK 53 95 - 55 - 3.0/285=8, 253=5...(23) HB2 LYS 26 + HG3 LYS 24 OK 52 95 - 55 - 253=4, 514/1.8=4...(24) HB2 LYS 26 + HG3 LYS 19 OK 48 100 - 48 - 252/1.8=8, 253=4, ~241=3...(18) HB2 LYS 31 - HG3 LYS 19 OK 41 81 - 50 - 272/1.8=5, ~263=5, 803=4...(19) HB2 LYS 31 - HG3 LYS 24 OK 40 72 - 56 - 3.0/836=4, 803=4...(23) HB2 ARG 23 - HG3 LYS 24 OK 14 84 - 16 - 4.2/6223=6, 428/2.9=2, 481/4.1=1 HB2 ARG 23 - HG3 LYS 19 lone 8 92 - 9 - 4.2/6223=3, 272/1.8=1 HG13 ILE 129 - HG3 LYS 19 lone 2 87 - 2 - HG13 ILE 129 - HG3 LYS 24 lone 2 79 - 2 - Peak 284 from cnoeabs.peaks (1.81, 1.44, 24.61 ppm; 2.89 A): 6 out of 18 assignments used, quality = 1.00: * HB3 LYS 19 + HG3 LYS 19 OK 98 100 - 98 - 3.0=92, 263/1.8=18...(39) HB3 LYS 24 + HG3 LYS 24 OK 92 94 - 99 - 2.9=96, 3.0/524=9...(24) HB3 LYS 24 + HG3 LYS 19 OK 57 99 - 58 - 263/1.8=8, 3.0/524=5...(20) HB3 LYS 31 + HG3 LYS 24 OK 53 95 - 56 - 1.8/803=5, 3.0/836=4...(21) HB3 LYS 19 + HG3 LYS 24 OK 52 95 - 55 - 3.0/285=8, 3.9/281=4...(23) HB3 LYS 31 + HG3 LYS 19 OK 50 100 - 50 - 263/1.8=8, 1.8/803=4...(19) HB3 LYS 26 - HG3 LYS 19 OK 39 81 - 48 - 273/1.8=4, ~252=4...(18) HB3 LYS 26 - HG3 LYS 24 OK 39 72 - 53 - 3.0/527=4, 620/1.8=3...(22) HB ILE 32 - HG3 LYS 19 OK 29 87 - 33 - ~10831=6, 900=3...(11) HB2 LYS 36 - HG3 LYS 24 OK 22 84 - 27 - 988/1.8=3, ~999=3...(8) HB ILE 32 - HG3 LYS 24 OK 17 79 - 21 - 900=2, 2.1/908=2...(8) HB2 LYS 36 - HG3 LYS 19 OK 10 92 - 11 - 273/1.8=1 HB3 LEU 123 - HG3 LYS 19 poor 6 61 - 10 - ~10701=2, ~10748=1 HB3 LEU 123 - HG3 LYS 24 lone 2 54 - 4 - HB2 ARG 84 - HG3 LYS 19 lone 1 98 - 1 - HB3 ARG 135 - HG3 LYS 24 lone 1 79 - 2 - HB3 ARG 135 - HG3 LYS 19 lone 1 87 - 1 - HB2 ARG 84 - HG3 LYS 24 lone 1 91 - 1 - Peak 285 from cnoeabs.peaks (1.36, 1.44, 24.61 ppm; 2.50 A): 2 out of 4 assignments used, quality = 1.00: * HG2 LYS 19 + HG3 LYS 19 OK 100 100 - 100 - 1.8=100 HG2 LYS 19 + HG3 LYS 24 OK 45 95 - 47 - 275=12, 263/2.9=4...(14) QB ALA 12 - HG3 LYS 19 lone 6 92 - 6 - 6151/4.9=1 QB ALA 12 - HG3 LYS 24 lone 1 84 - 1 - Peak 286 from cnoeabs.peaks (1.44, 1.44, 24.61 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 19 + HG3 LYS 19 OK 100 100 - 100 HG3 LYS 24 + HG3 LYS 24 OK 94 94 - 100 Peak 287 from cnoeabs.peaks (1.65, 1.44, 24.61 ppm; 2.74 A): 4 out of 16 assignments used, quality = 1.00: HD3 LYS 19 + HG3 LYS 19 OK 95 100 - 95 - 3.0=80, 296/1.8=17...(33) * HD2 LYS 19 + HG3 LYS 19 OK 95 100 - 95 - 3.0=80, 296/1.8=17...(33) HD3 LYS 19 + HG3 LYS 24 OK 48 95 - 50 - 3.0/285=7, 308=6...(20) HD2 LYS 19 + HG3 LYS 24 OK 48 95 - 50 - 3.0/285=7, 297=6...(20) HD3 LYS 26 - HG3 LYS 24 OK 24 58 - 42 - 2.9/527=3, ~631=2...(12) HD3 LYS 26 - HG3 LYS 19 OK 19 65 - 30 - 276/1.8=3, 2.9/527=2...(9) HG LEU 43 - HG3 LYS 19 OK 13 87 - 15 - ~11088=10, 276/1.8=2 HB2 LEU 123 - HG3 LYS 19 lone 10 100 - 10 - ~10701=2, 277/1.8=1, ~10748=1 HB2 LEU 123 - HG3 LYS 24 lone 4 95 - 4 - HD2 LYS 95 - HG3 LYS 24 lone 3 84 - 4 - HB2 LEU 98 - HG3 LYS 19 lone 3 98 - 3 - HG LEU 62 - HG3 LYS 19 lone 3 100 - 3 - HG LEU 62 - HG3 LYS 24 lone 2 95 - 2 - 11000/4.1=1 HB2 LEU 98 - HG3 LYS 24 lone 1 91 - 1 - HD2 LYS 95 - HG3 LYS 19 lone 1 92 - 1 - HG LEU 43 - HG3 LYS 24 lone 0 79 - 1 - Peak 288 from cnoeabs.peaks (1.65, 1.44, 24.61 ppm; 2.74 A): 4 out of 16 assignments used, quality = 1.00: * HD3 LYS 19 + HG3 LYS 19 OK 95 100 - 95 - 3.0=80, 296/1.8=17...(33) HD2 LYS 19 + HG3 LYS 19 OK 95 100 - 95 - 3.0=80, 296/1.8=17...(33) HD3 LYS 19 + HG3 LYS 24 OK 48 95 - 50 - 3.0/285=7, 308=6...(20) HD2 LYS 19 + HG3 LYS 24 OK 48 95 - 50 - 3.0/285=7, 297=6...(20) HD3 LYS 26 - HG3 LYS 24 OK 24 58 - 42 - 2.9/527=3, ~631=2...(12) HD3 LYS 26 - HG3 LYS 19 OK 19 65 - 30 - 276/1.8=3, 2.9/527=2...(9) HG LEU 43 - HG3 LYS 19 OK 13 87 - 15 - ~11088=10, 276/1.8=2 HB2 LEU 123 - HG3 LYS 19 lone 10 100 - 10 - ~10701=2, 277/1.8=1, ~10748=1 HB2 LEU 123 - HG3 LYS 24 lone 4 95 - 4 - HD2 LYS 95 - HG3 LYS 24 lone 3 84 - 4 - HB2 LEU 98 - HG3 LYS 19 lone 3 98 - 3 - HG LEU 62 - HG3 LYS 19 lone 3 100 - 3 - HG LEU 62 - HG3 LYS 24 lone 2 95 - 2 - 11000/4.1=1 HB2 LEU 98 - HG3 LYS 24 lone 1 91 - 1 - HD2 LYS 95 - HG3 LYS 19 lone 1 92 - 1 - HG LEU 43 - HG3 LYS 24 lone 0 79 - 1 - Peak 289 from cnoeabs.peaks (2.96, 1.44, 24.61 ppm; 3.28 A): 6 out of 22 assignments used, quality = 1.00: * HE2 LYS 19 + HG3 LYS 19 OK 92 100 - 92 - 3.8=64, 318/1.8=17...(34) HE3 LYS 19 + HG3 LYS 19 OK 79 87 - 92 - 3.8=64, 329/1.8=11...(35) HE2 LYS 24 + HG3 LYS 24 OK 79 91 - 86 - 4.0=56, 560/1.8=7...(31) HE3 LYS 24 + HG3 LYS 24 OK 76 91 - 84 - 4.0=56, 1.8/561=7...(32) HE2 LYS 19 + HG3 LYS 24 OK 50 95 - 52 - 3.8/285=7, 561=5...(20) HE2 LYS 24 + HG3 LYS 19 OK 49 98 - 50 - 318/1.8=7, 561=5, ~318=4...(18) HE3 LYS 24 - HG3 LYS 19 OK 44 98 - 45 - 318/1.8=7, ~318=4...(17) HE3 LYS 19 - HG3 LYS 24 OK 39 79 - 50 - 3.8/285=7, 2.9/308=4...(20) HE2 LYS 31 - HG3 LYS 24 OK 36 79 - 46 - 3.7/836=4, 572=2...(15) HE2 LYS 31 - HG3 LYS 19 OK 32 87 - 37 - 329/1.8=4, 3.7/836=4...(12) HE2 LYS 36 - HG3 LYS 24 OK 28 95 - 29 - 561=3, 520/1.8=3, ~520=1...(8) HE3 LYS 31 - HG3 LYS 24 OK 27 58 - 47 - 3.7/836=4, 3.0/530=2...(15) HE2 LYS 36 - HG3 LYS 19 OK 26 100 - 26 - 318/1.8=4, 561=2, ~318=2...(10) HE3 LYS 36 - HG3 LYS 24 OK 26 91 - 28 - 1.8/561=2, 520/1.8=2...(9) HE3 LYS 31 - HG3 LYS 19 OK 25 65 - 38 - 329/1.8=4, 3.7/836=4...(12) HE3 LYS 26 - HG3 LYS 24 OK 25 58 - 43 - 3.6/527=4, 3.0/530=2...(17) HE2 LYS 26 - HG3 LYS 24 OK 25 58 - 43 - 3.6/527=4, 3.0/530=2...(17) HE2 LYS 26 - HG3 LYS 19 OK 24 65 - 37 - 329/1.8=4, ~329=3...(12) HE3 LYS 26 - HG3 LYS 19 OK 24 65 - 37 - 329/1.8=4, ~329=3...(12) HE3 LYS 36 - HG3 LYS 19 OK 23 98 - 23 - 318/1.8=3, ~318=2...(5) HE3 LYS 86 - HG3 LYS 24 lone 5 95 - 6 - HE3 LYS 86 - HG3 LYS 19 lone 3 100 - 3 - Peak 290 from cnoeabs.peaks (2.96, 1.44, 24.61 ppm; 3.28 A): 5 out of 22 assignments used, quality = 1.00: * HE3 LYS 19 + HG3 LYS 19 OK 92 100 - 92 - 3.8=64, 329/1.8=15...(35) HE2 LYS 19 + HG3 LYS 19 OK 79 87 - 91 - 3.8=64, 318/1.8=13...(34) HE3 LYS 24 + HG3 LYS 24 OK 76 91 - 83 - 4.0=56, 1.8/561=7...(32) HE2 LYS 24 + HG3 LYS 24 OK 49 58 - 85 - 4.0=56, 1.8/572=4...(31) HE3 LYS 19 + HG3 LYS 24 OK 47 95 - 50 - 3.8/285=7, 2.9/308=4...(20) HE3 LYS 31 - HG3 LYS 24 OK 45 91 - 49 - 3.7/836=4, 3.0/530=2...(17) HE2 LYS 31 - HG3 LYS 24 OK 43 95 - 46 - 3.7/836=4, 572=2...(15) HE3 LYS 24 - HG3 LYS 19 OK 42 98 - 43 - 329/1.8=5, ~318=4...(17) HE3 LYS 26 - HG3 LYS 24 OK 40 91 - 44 - 3.6/527=4, 3.0/530=2...(18) HE2 LYS 26 - HG3 LYS 24 OK 40 91 - 44 - 3.6/527=4, 3.0/530=2...(18) HE3 LYS 31 - HG3 LYS 19 OK 39 98 - 40 - 329/1.8=5, 3.7/836=4...(15) HE2 LYS 31 - HG3 LYS 19 OK 39 100 - 39 - 329/1.8=5, 3.7/836=4...(14) HE2 LYS 19 - HG3 LYS 24 OK 39 79 - 49 - 3.8/285=7, 2.9/297=4...(19) HE2 LYS 26 - HG3 LYS 19 OK 38 98 - 39 - 329/1.8=5, ~329=3...(13) HE3 LYS 26 - HG3 LYS 19 OK 38 98 - 39 - 329/1.8=5, ~329=3...(13) HE2 LYS 24 - HG3 LYS 19 OK 30 65 - 46 - 318/1.8=5, ~318=4...(17) HE3 LYS 36 - HG3 LYS 24 OK 25 91 - 28 - 1.8/561=2, ~520=2...(9) HE3 LYS 36 - HG3 LYS 19 OK 22 98 - 22 - 318/1.8=2, ~318=2...(5) HE2 LYS 36 - HG3 LYS 24 OK 19 72 - 26 - 319=1, 521/1.8=1, ~520=1...(7) HE2 LYS 36 - HG3 LYS 19 OK 19 81 - 23 - 318/1.8=3, ~318=2...(7) HE3 LYS 86 - HG3 LYS 24 lone 4 84 - 5 - HE3 LYS 86 - HG3 LYS 19 lone 2 92 - 2 - Peak 292 from cnoeabs.peaks (8.35, 1.65, 28.90 ppm; 4.36 A): 2 out of 4 assignments used, quality = 1.00: H LYS 19 + HD3 LYS 19 OK 95 100 - 95 - 6.2=35, 270/3.0=35...(26) * H LYS 19 + HD2 LYS 19 OK 95 100 - 95 - 6.2=35, 270/3.0=35...(26) H LYS 86 - HD3 LYS 19 poor 8 65 - 11 - 270/3.0=3, 281/3.0=2...(5) H LYS 86 - HD2 LYS 19 poor 8 65 - 11 - 270/3.0=3, 281/3.0=2...(5) Peak 293 from cnoeabs.peaks (4.27, 1.65, 28.90 ppm; 3.10 A): 2 out of 20 assignments used, quality = 0.97: * HA LYS 19 + HD2 LYS 19 OK 83 100 - 84 - 5.2=22, 241/3.0=17...(36) HA LYS 19 + HD3 LYS 19 OK 83 100 - 84 - 5.2=22, 241/3.0=17...(36) HA LYS 26 - HD3 LYS 19 OK 44 99 - 44 - 241/3.0=7, 244=5...(17) HA LYS 26 - HD2 LYS 19 OK 44 99 - 44 - 241/3.0=7, 243=5...(17) HA LYS 31 - HD2 LYS 19 OK 19 57 - 33 - 271/3.0=3, 3.0/266=2...(13) HA LYS 31 - HD3 LYS 19 OK 19 57 - 33 - 271/3.0=3, 3.0/266=2...(13) HA PHE 87 - HD2 LYS 19 OK 10 99 - 10 - 3.0/9834=2, 9841/1.8=2...(5) HA PHE 87 - HD3 LYS 19 OK 10 99 - 10 - 3.0/9834=2, 9841/1.8=2...(5) HA LYS 36 - HD2 LYS 19 lone 7 73 - 9 - HA LYS 36 - HD3 LYS 19 lone 7 73 - 9 - HB THR 115 - HD3 LYS 19 lone 1 81 - 2 - HB THR 115 - HD2 LYS 19 lone 1 81 - 2 - HA LEU 22 - HD3 LYS 19 lone 0 57 - 1 - HA LEU 22 - HD2 LYS 19 lone 0 57 - 1 - HA ALA 16 - HD3 LYS 19 lone 0 65 - 1 - HA ALA 16 - HD2 LYS 19 lone 0 65 - 1 - HA ALA 108 - HD2 LYS 19 lone 0 57 - 1 - HA ALA 108 - HD3 LYS 19 lone 0 57 - 1 - HA ALA 109 - HD2 LYS 19 lone 0 57 - 1 - HA ALA 109 - HD3 LYS 19 lone 0 57 - 1 - Peak 294 from cnoeabs.peaks (1.75, 1.65, 28.90 ppm; 3.41 A): 8 out of 12 assignments used, quality = 1.00: HB2 LYS 19 + HD3 LYS 19 OK 97 100 - 97 - 3.9=65, 252/3.0=17...(51) * HB2 LYS 19 + HD2 LYS 19 OK 97 100 - 97 - 3.9=65, 252/3.0=17...(51) HB2 LYS 24 + HD2 LYS 19 OK 65 98 - 67 - 252/3.0=7, 1.8/306=4...(33) HB2 LYS 24 + HD3 LYS 19 OK 65 98 - 67 - 252/3.0=7, 1.8/306=4...(33) HB2 LYS 26 + HD2 LYS 19 OK 56 100 - 56 - 252/3.0=7, 254=4...(25) HB2 LYS 26 + HD3 LYS 19 OK 56 100 - 56 - 252/3.0=7, 254=4...(25) HB2 LYS 31 + HD2 LYS 19 OK 45 81 - 56 - 272/3.0=5, ~263=4...(25) HB2 LYS 31 + HD3 LYS 19 OK 45 81 - 56 - 272/3.0=5, ~263=4...(25) HB2 ARG 23 - HD2 LYS 19 lone 4 92 - 4 - 272/3.0=1 HB2 ARG 23 - HD3 LYS 19 lone 4 92 - 4 - 272/3.0=1 HG13 ILE 129 - HD3 LYS 19 lone 1 87 - 1 - HG13 ILE 129 - HD2 LYS 19 lone 1 87 - 1 - Peak 295 from cnoeabs.peaks (1.81, 1.65, 28.90 ppm; 2.80 A): 4 out of 18 assignments used, quality = 0.99: HB3 LYS 19 + HD3 LYS 19 OK 85 100 - 85 - 3.9=36, 263/3.0=11...(41) * HB3 LYS 19 + HD2 LYS 19 OK 85 100 - 85 - 3.9=36, 263/3.0=11...(41) HB3 LYS 24 + HD3 LYS 19 OK 50 99 - 51 - 263/3.0=5, 266=5...(24) HB3 LYS 24 + HD2 LYS 19 OK 50 99 - 51 - 263/3.0=5, 266=5...(24) HB3 LYS 31 - HD2 LYS 19 OK 41 100 - 41 - 263/3.0=5, 265=4...(12) HB3 LYS 31 - HD3 LYS 19 OK 41 100 - 41 - 263/3.0=5, 265=4...(12) HB3 LYS 26 - HD2 LYS 19 OK 33 81 - 41 - 1.8/305=3, 273/3.0=3...(17) HB3 LYS 26 - HD3 LYS 19 OK 33 81 - 41 - 1.8/305=3, 273/3.0=3...(17) HB ILE 32 - HD3 LYS 19 OK 16 87 - 18 - ~10831=4, 900/3.0=2...(4) HB ILE 32 - HD2 LYS 19 OK 16 87 - 18 - ~10831=4, 900/3.0=2...(4) HB2 LYS 36 - HD3 LYS 19 OK 10 92 - 11 - HB2 LYS 36 - HD2 LYS 19 OK 10 92 - 11 - HB3 LEU 123 - HD2 LYS 19 poor 7 61 - 12 - 3.0/3938=1, 3.2/3946=1 HB3 LEU 123 - HD3 LYS 19 poor 7 61 - 12 - 3.0/3938=1, 3.2/3946=1 HB2 ARG 84 - HD2 LYS 19 lone 1 98 - 1 - HB2 ARG 84 - HD3 LYS 19 lone 1 98 - 1 - HB3 ARG 135 - HD3 LYS 19 lone 1 87 - 1 - HB3 ARG 135 - HD2 LYS 19 lone 1 87 - 1 - Peak 296 from cnoeabs.peaks (1.36, 1.65, 28.90 ppm; 2.57 A): 2 out of 4 assignments used, quality = 0.99: * HG2 LYS 19 + HD2 LYS 19 OK 90 100 - 90 - 3.0=66, 277/1.8=12...(32) HG2 LYS 19 + HD3 LYS 19 OK 90 100 - 90 - 3.0=66, 276/1.8=12...(32) QB ALA 12 - HD2 LYS 19 lone 5 92 - 5 - QB ALA 12 - HD3 LYS 19 lone 5 92 - 5 - Peak 297 from cnoeabs.peaks (1.44, 1.65, 28.90 ppm; 2.50 A): 2 out of 8 assignments used, quality = 0.98: HG3 LYS 19 + HD3 LYS 19 OK 87 100 - 87 - 3.0=60, 1.8/296=14...(31) * HG3 LYS 19 + HD2 LYS 19 OK 87 100 - 87 - 3.0=60, 1.8/296=14...(31) HG3 LYS 24 - HD3 LYS 19 OK 41 99 - 42 - 285/3.0=6, 287=5...(11) HG3 LYS 24 - HD2 LYS 19 OK 41 99 - 42 - 285/3.0=6, 288=5...(11) HG2 LYS 31 - HD3 LYS 19 OK 28 99 - 28 - 275/3.0=3, 823/3.9=2...(8) HG2 LYS 31 - HD2 LYS 19 OK 28 99 - 28 - 275/3.0=3, 823/3.9=2...(8) HG13 ILE 32 - HD3 LYS 19 OK 11 92 - 12 - 275/3.0=2 HG13 ILE 32 - HD2 LYS 19 OK 11 92 - 12 - 275/3.0=2 Peak 298 from cnoeabs.peaks (1.65, 1.65, 28.90 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 19 + HD3 LYS 19 OK 100 100 - 100 * HD2 LYS 19 + HD2 LYS 19 OK 100 100 - 100 Peak 299 from cnoeabs.peaks (1.65, 1.65, 28.90 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 19 + HD3 LYS 19 OK 100 100 - 100 HD2 LYS 19 + HD2 LYS 19 OK 100 100 - 100 Reference assignment not found: HD3 LYS 19 - HD2 LYS 19 Peak 300 from cnoeabs.peaks (2.96, 1.65, 28.90 ppm; 2.50 A): 4 out of 22 assignments used, quality = 1.00: HE2 LYS 19 + HD3 LYS 19 OK 79 100 - 79 - 2.9=62, 321/1.8=7...(22) * HE2 LYS 19 + HD2 LYS 19 OK 79 100 - 79 - 2.9=62, 321/1.8=7...(22) HE3 LYS 19 + HD3 LYS 19 OK 68 87 - 78 - 2.9=62, 1.8/320=7...(22) HE3 LYS 19 + HD2 LYS 19 OK 68 87 - 78 - 2.9=62, 1.8/320=7...(22) HE2 LYS 24 - HD3 LYS 19 OK 23 98 - 24 - 318/3.0=3, 320=3...(7) HE2 LYS 24 - HD2 LYS 19 OK 23 98 - 24 - 318/3.0=3, 320=3...(7) HE3 LYS 24 - HD3 LYS 19 OK 20 98 - 21 - 318/3.0=3, 320=3...(6) HE3 LYS 24 - HD2 LYS 19 OK 20 98 - 21 - 318/3.0=3, 320=3...(6) HE2 LYS 31 - HD2 LYS 19 OK 13 87 - 15 - 329/3.0=2, 331=1, 3.7/297=1 HE2 LYS 31 - HD3 LYS 19 OK 13 87 - 15 - 329/3.0=2, 332=1, 3.7/297=1 HE2 LYS 36 - HD2 LYS 19 OK 12 100 - 12 - 318/3.0=2, 320=2 HE2 LYS 36 - HD3 LYS 19 OK 12 100 - 12 - 318/3.0=2, 321=2 HE3 LYS 36 - HD3 LYS 19 OK 10 98 - 10 - 318/3.0=1, 321=1 HE3 LYS 36 - HD2 LYS 19 OK 10 98 - 10 - 318/3.0=1, 320=1 HE3 LYS 31 - HD3 LYS 19 poor 10 65 - 15 - 329/3.0=2, 3.7/297=1...(4) HE3 LYS 31 - HD2 LYS 19 poor 10 65 - 15 - 329/3.0=2, 3.7/297=1...(4) HE2 LYS 26 - HD3 LYS 19 poor 9 65 - 14 - 329/3.0=1, 331=1 HE2 LYS 26 - HD2 LYS 19 poor 9 65 - 14 - 329/3.0=1, 332=1 HE3 LYS 26 - HD3 LYS 19 poor 9 65 - 14 - 329/3.0=1, 332=1 HE3 LYS 26 - HD2 LYS 19 poor 9 65 - 14 - 329/3.0=1, 331=1 HE3 LYS 86 - HD3 LYS 19 lone 2 100 - 2 - HE3 LYS 86 - HD2 LYS 19 lone 2 100 - 2 - Peak 301 from cnoeabs.peaks (2.96, 1.65, 28.90 ppm; 2.50 A): 4 out of 22 assignments used, quality = 1.00: * HE3 LYS 19 + HD2 LYS 19 OK 79 100 - 79 - 2.9=62, 1.8/320=7...(22) HE3 LYS 19 + HD3 LYS 19 OK 79 100 - 79 - 2.9=62, 1.8/320=7...(22) HE2 LYS 19 + HD2 LYS 19 OK 68 87 - 78 - 2.9=62, 3.8/296=6...(22) HE2 LYS 19 + HD3 LYS 19 OK 68 87 - 78 - 2.9=62, 3.8/296=6...(22) HE3 LYS 24 - HD2 LYS 19 OK 19 98 - 20 - 329/3.0=2, 321=2...(6) HE3 LYS 24 - HD3 LYS 19 OK 19 98 - 20 - 329/3.0=2, 321=2...(6) HE3 LYS 31 - HD3 LYS 19 OK 16 98 - 16 - 329/3.0=2, 332=1...(4) HE3 LYS 31 - HD2 LYS 19 OK 16 98 - 16 - 329/3.0=2, 331=1...(4) HE2 LYS 31 - HD2 LYS 19 OK 16 100 - 16 - 329/3.0=2, 332=2...(4) HE2 LYS 31 - HD3 LYS 19 OK 16 100 - 16 - 329/3.0=2, 331=2...(4) HE3 LYS 26 - HD3 LYS 19 OK 15 98 - 15 - 329/3.0=2, 331=1 HE2 LYS 26 - HD2 LYS 19 OK 15 98 - 15 - 329/3.0=2, 332=1 HE2 LYS 26 - HD3 LYS 19 OK 15 98 - 15 - 329/3.0=2, 332=1 HE3 LYS 26 - HD2 LYS 19 OK 15 98 - 15 - 329/3.0=2, 331=1 HE2 LYS 24 - HD2 LYS 19 OK 14 65 - 21 - 318/3.0=2, 321=2...(6) HE2 LYS 24 - HD3 LYS 19 OK 14 65 - 21 - 318/3.0=2, 321=2...(6) HE3 LYS 36 - HD2 LYS 19 lone 9 98 - 9 - 318/3.0=1 HE3 LYS 36 - HD3 LYS 19 lone 9 98 - 9 - 318/3.0=1 HE2 LYS 36 - HD2 LYS 19 poor 8 81 - 10 - 318/3.0=1, 321=1 HE2 LYS 36 - HD3 LYS 19 poor 8 81 - 10 - 318/3.0=1, 320=1 HE3 LYS 86 - HD3 LYS 19 lone 2 92 - 2 - HE3 LYS 86 - HD2 LYS 19 lone 2 92 - 2 - Peak 303 from cnoeabs.peaks (8.35, 1.65, 28.90 ppm; 4.22 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 19 + HD3 LYS 19 OK 93 100 - 93 - 270/3.0=33, 6.2=31...(26) H LYS 19 + HD2 LYS 19 OK 93 100 - 93 - 270/3.0=33, 6.2=31...(26) H LYS 86 - HD3 LYS 19 poor 7 65 - 11 - 270/3.0=2, 281/3.0=2...(5) H LYS 86 - HD2 LYS 19 poor 7 65 - 11 - 270/3.0=2, 281/3.0=2...(5) Peak 304 from cnoeabs.peaks (4.27, 1.65, 28.90 ppm; 3.04 A): 2 out of 20 assignments used, quality = 0.97: HA LYS 19 + HD2 LYS 19 OK 82 100 - 82 - 5.2=20, 241/3.0=16...(35) * HA LYS 19 + HD3 LYS 19 OK 82 100 - 82 - 5.2=20, 241/3.0=16...(35) HA LYS 26 - HD3 LYS 19 OK 42 99 - 42 - 241/3.0=7, 244=5...(15) HA LYS 26 - HD2 LYS 19 OK 42 99 - 42 - 241/3.0=7, 244=5...(15) HA LYS 31 - HD2 LYS 19 OK 18 57 - 32 - 271/3.0=3, 3.0/266=2...(11) HA LYS 31 - HD3 LYS 19 OK 18 57 - 32 - 271/3.0=3, 3.0/266=2...(11) HA PHE 87 - HD2 LYS 19 lone 10 99 - 10 - 3.0/9834=2, 9841/1.8=1...(5) HA PHE 87 - HD3 LYS 19 lone 10 99 - 10 - 3.0/9834=2, 9841/1.8=1...(5) HA LYS 36 - HD2 LYS 19 lone 7 73 - 9 - HA LYS 36 - HD3 LYS 19 lone 7 73 - 9 - HB THR 115 - HD3 LYS 19 lone 1 81 - 2 - HB THR 115 - HD2 LYS 19 lone 1 81 - 2 - HA LEU 22 - HD3 LYS 19 lone 0 57 - 1 - HA LEU 22 - HD2 LYS 19 lone 0 57 - 1 - HA ALA 16 - HD3 LYS 19 lone 0 65 - 0 - HA ALA 16 - HD2 LYS 19 lone 0 65 - 0 - HA ALA 108 - HD2 LYS 19 lone 0 57 - 1 - HA ALA 108 - HD3 LYS 19 lone 0 57 - 1 - HA ALA 109 - HD2 LYS 19 lone 0 57 - 1 - HA ALA 109 - HD3 LYS 19 lone 0 57 - 1 - Peak 305 from cnoeabs.peaks (1.75, 1.65, 28.90 ppm; 3.14 A): 6 out of 12 assignments used, quality = 1.00: * HB2 LYS 19 + HD3 LYS 19 OK 93 100 - 93 - 3.9=51, 252/3.0=15...(45) HB2 LYS 19 + HD2 LYS 19 OK 93 100 - 93 - 3.9=51, 252/3.0=15...(45) HB2 LYS 24 + HD2 LYS 19 OK 59 98 - 60 - 252/3.0=6, 255=4...(30) HB2 LYS 24 + HD3 LYS 19 OK 59 98 - 60 - 252/3.0=6, 255=4...(30) HB2 LYS 26 + HD2 LYS 19 OK 50 100 - 50 - 252/3.0=6, 254=4...(20) HB2 LYS 26 + HD3 LYS 19 OK 50 100 - 50 - 252/3.0=6, 254=4...(20) HB2 LYS 31 - HD2 LYS 19 OK 40 81 - 49 - 272/3.0=4, 1.8/266=3...(20) HB2 LYS 31 - HD3 LYS 19 OK 40 81 - 49 - 272/3.0=4, 1.8/266=3...(20) HB2 ARG 23 - HD2 LYS 19 lone 3 92 - 3 - 272/3.0=1 HB2 ARG 23 - HD3 LYS 19 lone 3 92 - 3 - 272/3.0=1 HG13 ILE 129 - HD3 LYS 19 lone 1 87 - 1 - HG13 ILE 129 - HD2 LYS 19 lone 1 87 - 1 - Peak 306 from cnoeabs.peaks (1.81, 1.65, 28.90 ppm; 2.78 A): 4 out of 18 assignments used, quality = 0.99: * HB3 LYS 19 + HD3 LYS 19 OK 85 100 - 85 - 3.9=35, 263/3.0=11...(41) HB3 LYS 19 + HD2 LYS 19 OK 85 100 - 85 - 3.9=35, 263/3.0=11...(41) HB3 LYS 24 + HD3 LYS 19 OK 50 99 - 50 - 263/3.0=5, 266=5...(24) HB3 LYS 24 + HD2 LYS 19 OK 50 99 - 50 - 263/3.0=5, 266=5...(24) HB3 LYS 31 - HD2 LYS 19 OK 41 100 - 41 - 263/3.0=5, 265=4...(12) HB3 LYS 31 - HD3 LYS 19 OK 41 100 - 41 - 263/3.0=5, 266=4...(12) HB3 LYS 26 - HD2 LYS 19 OK 33 81 - 41 - 1.8/305=3, 273/3.0=3...(17) HB3 LYS 26 - HD3 LYS 19 OK 33 81 - 41 - 1.8/305=3, 273/3.0=3...(17) HB ILE 32 - HD3 LYS 19 OK 16 87 - 18 - ~10831=4, 900/3.0=2...(4) HB ILE 32 - HD2 LYS 19 OK 16 87 - 18 - ~10831=4, 900/3.0=2...(4) HB2 LYS 36 - HD3 LYS 19 OK 10 92 - 11 - HB2 LYS 36 - HD2 LYS 19 OK 10 92 - 11 - HB3 LEU 123 - HD2 LYS 19 poor 7 61 - 12 - 3.0/3938=1, 3.2/3946=1 HB3 LEU 123 - HD3 LYS 19 poor 7 61 - 12 - 3.0/3938=1, 3.2/3946=1 HB2 ARG 84 - HD2 LYS 19 lone 1 98 - 1 - HB2 ARG 84 - HD3 LYS 19 lone 1 98 - 1 - HB3 ARG 135 - HD3 LYS 19 lone 1 87 - 1 - HB3 ARG 135 - HD2 LYS 19 lone 1 87 - 1 - Peak 307 from cnoeabs.peaks (1.36, 1.65, 28.90 ppm; 2.65 A): 2 out of 4 assignments used, quality = 0.99: HG2 LYS 19 + HD2 LYS 19 OK 93 100 - 93 - 3.0=71, 276/1.8=13...(32) * HG2 LYS 19 + HD3 LYS 19 OK 93 100 - 93 - 3.0=71, 276/1.8=13...(32) QB ALA 12 - HD2 LYS 19 lone 5 92 - 5 - QB ALA 12 - HD3 LYS 19 lone 5 92 - 5 - Peak 308 from cnoeabs.peaks (1.44, 1.65, 28.90 ppm; 2.50 A): 2 out of 8 assignments used, quality = 0.98: * HG3 LYS 19 + HD3 LYS 19 OK 87 100 - 87 - 3.0=60, 1.8/296=14...(31) HG3 LYS 19 + HD2 LYS 19 OK 87 100 - 87 - 3.0=60, 1.8/296=14...(31) HG3 LYS 24 - HD3 LYS 19 OK 41 99 - 42 - 285/3.0=6, 287=5...(11) HG3 LYS 24 - HD2 LYS 19 OK 41 99 - 42 - 285/3.0=6, 288=5...(11) HG2 LYS 31 - HD3 LYS 19 OK 28 99 - 28 - 275/3.0=3, 823/3.9=2...(8) HG2 LYS 31 - HD2 LYS 19 OK 28 99 - 28 - 275/3.0=3, 823/3.9=2...(8) HG13 ILE 32 - HD3 LYS 19 OK 11 92 - 12 - 275/3.0=2 HG13 ILE 32 - HD2 LYS 19 OK 11 92 - 12 - 275/3.0=2 Peak 309 from cnoeabs.peaks (1.65, 1.65, 28.90 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 19 + HD3 LYS 19 OK 100 100 - 100 HD2 LYS 19 + HD2 LYS 19 OK 100 100 - 100 Reference assignment not found: HD2 LYS 19 - HD3 LYS 19 Peak 310 from cnoeabs.peaks (1.65, 1.65, 28.90 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 19 + HD3 LYS 19 OK 100 100 - 100 HD2 LYS 19 + HD2 LYS 19 OK 100 100 - 100 Peak 311 from cnoeabs.peaks (2.96, 1.65, 28.90 ppm; 2.50 A): 4 out of 22 assignments used, quality = 1.00: * HE2 LYS 19 + HD3 LYS 19 OK 79 100 - 79 - 2.9=62, 321/1.8=7...(22) HE2 LYS 19 + HD2 LYS 19 OK 79 100 - 79 - 2.9=62, 321/1.8=7...(22) HE3 LYS 19 + HD3 LYS 19 OK 68 87 - 78 - 2.9=62, 1.8/320=7...(22) HE3 LYS 19 + HD2 LYS 19 OK 68 87 - 78 - 2.9=62, 1.8/320=7...(22) HE2 LYS 24 - HD3 LYS 19 OK 23 98 - 24 - 318/3.0=3, 320=3...(7) HE2 LYS 24 - HD2 LYS 19 OK 23 98 - 24 - 318/3.0=3, 320=3...(7) HE3 LYS 24 - HD3 LYS 19 OK 20 98 - 21 - 318/3.0=3, 320=3...(6) HE3 LYS 24 - HD2 LYS 19 OK 20 98 - 21 - 318/3.0=3, 320=3...(6) HE2 LYS 31 - HD2 LYS 19 OK 13 87 - 15 - 329/3.0=2, 331=1, 3.7/297=1 HE2 LYS 31 - HD3 LYS 19 OK 13 87 - 15 - 329/3.0=2, 332=1, 3.7/297=1 HE2 LYS 36 - HD2 LYS 19 OK 12 100 - 12 - 318/3.0=2, 320=2 HE2 LYS 36 - HD3 LYS 19 OK 12 100 - 12 - 318/3.0=2, 321=2 HE3 LYS 36 - HD3 LYS 19 OK 10 98 - 10 - 318/3.0=1, 321=1 HE3 LYS 36 - HD2 LYS 19 OK 10 98 - 10 - 318/3.0=1, 320=1 HE3 LYS 31 - HD3 LYS 19 poor 10 65 - 15 - 329/3.0=2, 3.7/297=1...(4) HE3 LYS 31 - HD2 LYS 19 poor 10 65 - 15 - 329/3.0=2, 3.7/297=1...(4) HE2 LYS 26 - HD3 LYS 19 poor 9 65 - 14 - 329/3.0=1, 331=1 HE2 LYS 26 - HD2 LYS 19 poor 9 65 - 14 - 329/3.0=1, 332=1 HE3 LYS 26 - HD3 LYS 19 poor 9 65 - 14 - 329/3.0=1, 332=1 HE3 LYS 26 - HD2 LYS 19 poor 9 65 - 14 - 329/3.0=1, 331=1 HE3 LYS 86 - HD3 LYS 19 lone 2 100 - 2 - HE3 LYS 86 - HD2 LYS 19 lone 2 100 - 2 - Peak 312 from cnoeabs.peaks (2.96, 1.65, 28.90 ppm; 2.50 A): 4 out of 22 assignments used, quality = 1.00: HE3 LYS 19 + HD2 LYS 19 OK 79 100 - 79 - 2.9=62, 1.8/320=7...(22) * HE3 LYS 19 + HD3 LYS 19 OK 79 100 - 79 - 2.9=62, 1.8/320=7...(22) HE2 LYS 19 + HD2 LYS 19 OK 68 87 - 78 - 2.9=62, 3.8/296=6...(22) HE2 LYS 19 + HD3 LYS 19 OK 68 87 - 78 - 2.9=62, 3.8/296=6...(22) HE3 LYS 24 - HD2 LYS 19 OK 19 98 - 20 - 329/3.0=2, 321=2...(6) HE3 LYS 24 - HD3 LYS 19 OK 19 98 - 20 - 329/3.0=2, 321=2...(6) HE3 LYS 31 - HD3 LYS 19 OK 16 98 - 16 - 329/3.0=2, 332=1...(4) HE3 LYS 31 - HD2 LYS 19 OK 16 98 - 16 - 329/3.0=2, 331=1...(4) HE2 LYS 31 - HD2 LYS 19 OK 16 100 - 16 - 329/3.0=2, 332=2...(4) HE2 LYS 31 - HD3 LYS 19 OK 16 100 - 16 - 329/3.0=2, 331=2...(4) HE3 LYS 26 - HD3 LYS 19 OK 15 98 - 15 - 329/3.0=2, 331=1 HE2 LYS 26 - HD2 LYS 19 OK 15 98 - 15 - 329/3.0=2, 332=1 HE2 LYS 26 - HD3 LYS 19 OK 15 98 - 15 - 329/3.0=2, 332=1 HE3 LYS 26 - HD2 LYS 19 OK 15 98 - 15 - 329/3.0=2, 331=1 HE2 LYS 24 - HD2 LYS 19 OK 14 65 - 21 - 318/3.0=2, 321=2...(6) HE2 LYS 24 - HD3 LYS 19 OK 14 65 - 21 - 318/3.0=2, 321=2...(6) HE3 LYS 36 - HD2 LYS 19 lone 9 98 - 9 - 318/3.0=1 HE3 LYS 36 - HD3 LYS 19 lone 9 98 - 9 - 318/3.0=1 HE2 LYS 36 - HD2 LYS 19 poor 8 81 - 10 - 318/3.0=1, 321=1 HE2 LYS 36 - HD3 LYS 19 poor 8 81 - 10 - 318/3.0=1, 320=1 HE3 LYS 86 - HD3 LYS 19 lone 2 92 - 2 - HE3 LYS 86 - HD2 LYS 19 lone 2 92 - 2 - Peak 315 from cnoeabs.peaks (4.27, 2.96, 41.80 ppm; 4.14 A): 4 out of 60 assignments used, quality = 0.99: * HA LYS 19 + HE2 LYS 19 OK 86 100 - 86 - 6.4=27, 241/3.8=22...(43) HA LYS 36 + HE2 LYS 36 OK 59 71 - 83 - 6.0=34, 978/4.0=15...(27) HA LYS 26 + HE2 LYS 19 OK 50 99 - 50 - 241/3.8=9, 304/2.9=5...(19) HA LYS 36 + HE3 LYS 36 OK 47 57 - 83 - 6.0=34, 978/4.0=15...(26) HA LYS 26 - HE2 LYS 24 OK 42 85 - 50 - 598/4.0=5, 282/4.0=5...(23) HA LYS 19 - HE2 LYS 24 OK 41 87 - 48 - 4.2/318=5, 242/4.0=5...(15) HA LYS 26 - HE3 LYS 24 OK 39 85 - 47 - 598/4.0=5, 282/4.0=5...(21) HA LYS 19 - HE3 LYS 24 OK 39 87 - 45 - 4.2/318=5, 242/4.0=5...(18) HA LYS 19 - HE2 LYS 36 OK 24 99 - 24 - 4.2/318=3, 3.0/316=1, 4.2/561=1 HA LYS 31 - HE2 LYS 19 OK 24 57 - 42 - 271/3.8=4, 293/2.9=2...(20) HA LYS 36 - HE2 LYS 24 OK 23 57 - 40 - 3.0/1053=5, 4.1/1014=3...(18) HA LYS 36 - HE3 LYS 24 OK 21 57 - 37 - 3.0/1064=3, ~1053=3...(18) HA LYS 19 - HE3 LYS 36 OK 20 87 - 23 - 4.2/318=3, 3.0/316=1, ~558=1 HA LYS 26 - HE2 LYS 36 OK 20 98 - 21 - 598/4.0=2, 1018/4.0=1, 996/4.9=1 HA LYS 31 - HE2 LYS 24 OK 20 44 - 46 - 3.0/558=3, 3.8/561=2...(22) HA LYS 31 - HE3 LYS 24 OK 18 44 - 42 - ~558=2, 3.8/840=2...(20) HA LYS 26 - HE3 LYS 36 OK 17 85 - 20 - 598/4.0=2, 1018/4.0=1, 996/4.9=1 HA LYS 31 - HE2 LYS 36 OK 16 56 - 29 - 1007/4.0=2, 1018/4.0=2...(9) HA LYS 36 - HE2 LYS 19 OK 16 73 - 21 - 3.0/1053=2, 4.1/1025=2...(8) HA PHE 87 - HE3 LYS 86 OK 15 98 - 15 - 2724/4.9=8, ~7161=4, ~7160=4 HA LYS 31 - HE3 LYS 36 OK 12 44 - 28 - 1007/4.0=2, 1018/4.0=2...(10) HA PHE 87 - HE2 LYS 19 OK 12 99 - 12 - 9841/2.9=3, 9841/2.9=3...(4) HB THR 115 - HE2 LYS 36 lone 8 79 - 10 - 10191/4.0=5, 1018/4.0=1 HB THR 115 - HE3 LYS 36 lone 6 64 - 10 - 10191/4.0=5, 1018/4.0=1 HA LYS 19 - HE3 LYS 86 lone 6 99 - 6 - 3.0/2703=1 HA LYS 36 - HE3 LYS 86 lone 5 71 - 7 - 978/3.7=2, 3.0/1053=1 HB THR 115 - HE2 LYS 24 lone 4 64 - 7 - 10191/4.0=3, 11521/7.4=1 HB THR 115 - HE3 LYS 24 lone 4 64 - 7 - 10191/4.0=3, 11521/7.4=1 HA LYS 26 - HE3 LYS 86 lone 4 98 - 3 - HA PHE 87 - HE3 LYS 24 lone 3 85 - 4 - HA PHE 87 - HE2 LYS 24 lone 3 85 - 4 - HA PHE 87 - HE2 LYS 36 lone 2 98 - 3 - HA LYS 31 - HE3 LYS 86 lone 3 56 - 4 - HA ALA 108 - HE2 LYS 36 lone 2 56 - 4 - HA PHE 87 - HE3 LYS 36 lone 2 85 - 2 - HB THR 115 - HE2 LYS 19 lone 2 81 - 2 - HA ALA 108 - HE3 LYS 36 lone 2 44 - 4 - HA ALA 109 - HE2 LYS 36 lone 2 56 - 3 - HA LEU 22 - HE2 LYS 36 lone 2 56 - 3 - HA ALA 109 - HE3 LYS 36 lone 1 44 - 3 - HA LEU 22 - HE3 LYS 36 lone 1 44 - 3 - HA ALA 16 - HE2 LYS 36 lone 1 64 - 2 - HA ALA 16 - HE3 LYS 36 lone 1 50 - 2 - HA ALA 108 - HE2 LYS 19 lone 1 57 - 1 - HB THR 115 - HE3 LYS 86 lone 1 79 - 1 - HA ALA 16 - HE2 LYS 19 lone 1 65 - 1 - HA LEU 22 - HE2 LYS 19 lone 1 57 - 1 - HA ALA 109 - HE2 LYS 19 lone 1 57 - 1 - HA LEU 22 - HE2 LYS 24 lone 1 44 - 1 - HA ALA 108 - HE2 LYS 24 lone 1 44 - 1 - HA LEU 22 - HE3 LYS 24 lone 1 44 - 1 - HA ALA 108 - HE3 LYS 24 lone 1 44 - 1 - HA ALA 109 - HE2 LYS 24 lone 1 44 - 1 - HA ALA 109 - HE3 LYS 24 lone 0 44 - 1 - HA ALA 16 - HE2 LYS 24 lone 0 50 - 1 - HA ALA 16 - HE3 LYS 24 lone 0 50 - 1 - HA ALA 16 - HE3 LYS 86 lone 0 64 - 1 - HA ALA 108 - HE3 LYS 86 lone 0 56 - 1 - HA LEU 22 - HE3 LYS 86 lone 0 56 - 1 - HA ALA 109 - HE3 LYS 86 lone 0 56 - 1 - Peak 316 from cnoeabs.peaks (1.75, 2.96, 41.80 ppm; 3.27 A): 3 out of 36 assignments used, quality = 0.96: * HB2 LYS 19 + HE2 LYS 19 OK 79 100 - 79 - 5.1=27, 3.0/318=12...(48) HB2 LYS 24 + HE2 LYS 24 OK 58 83 - 70 - 5.1=27, 2.9/520=5...(37) HB2 LYS 24 + HE3 LYS 24 OK 55 83 - 67 - 5.1=27, 2.9/520=4...(34) HB2 LYS 24 - HE2 LYS 19 OK 44 98 - 45 - 252/3.8=5, 305/2.9=3...(17) HB2 LYS 26 - HE2 LYS 19 OK 39 100 - 39 - 252/3.8=5, 305/2.9=3...(18) HB2 LYS 19 - HE2 LYS 24 OK 37 87 - 43 - 3.0/318=5, ~318=2...(17) HB2 LYS 26 - HE2 LYS 24 OK 34 87 - 40 - 514/4.0=2, 283/4.0=2...(16) HB2 LYS 19 - HE3 LYS 24 OK 34 87 - 39 - 3.0/318=5, ~318=3...(17) HB2 LYS 31 - HE2 LYS 19 OK 33 81 - 41 - 272/3.8=3, 305/2.9=2...(16) HB2 LYS 26 - HE3 LYS 24 OK 29 87 - 34 - 514/4.0=2, 283/4.0=2...(11) HB2 LYS 31 - HE2 LYS 24 OK 29 64 - 45 - 514/4.0=2, 525/4.0=2...(15) HB2 LYS 31 - HE3 LYS 24 OK 25 64 - 40 - 514/4.0=2, 525/4.0=2...(11) HB2 LYS 19 - HE2 LYS 36 OK 22 99 - 22 - 3.0/318=3, ~318=1, 3.0/319=1 HB2 LYS 24 - HE2 LYS 36 OK 22 97 - 23 - 2.9/520=2, 2.9/561=1 HB2 LYS 24 - HE3 LYS 36 OK 18 83 - 22 - 2.9/520=2, ~520=1 HB2 LYS 31 - HE2 LYS 36 OK 18 79 - 23 - HB2 LYS 19 - HE3 LYS 36 OK 18 87 - 21 - 3.0/318=2, ~318=1 HB2 LYS 26 - HE2 LYS 36 OK 16 99 - 16 - HB2 LYS 31 - HE3 LYS 36 OK 14 64 - 22 - HB2 LYS 26 - HE3 LYS 36 OK 13 87 - 15 - HG13 ILE 129 - HE3 LYS 86 lone 4 85 - 5 - ~11777=3, ~11283=1 HB2 ARG 23 - HE2 LYS 24 lone 4 75 - 5 - 6213/7.4=2 HB2 ARG 23 - HE3 LYS 24 lone 4 75 - 5 - 6213/7.4=2 HB2 LYS 31 - HE3 LYS 86 lone 4 79 - 5 - HB2 LYS 24 - HE3 LYS 86 lone 3 97 - 3 - HB2 LYS 19 - HE3 LYS 86 lone 3 99 - 3 - HB2 ARG 23 - HE2 LYS 19 lone 2 92 - 3 - HB2 LYS 26 - HE3 LYS 86 lone 2 99 - 2 - HG13 ILE 129 - HE2 LYS 19 lone 1 87 - 1 - HB2 ARG 23 - HE2 LYS 36 lone 1 90 - 1 - HG13 ILE 129 - HE2 LYS 36 lone 1 85 - 1 - HG13 ILE 129 - HE2 LYS 24 lone 1 70 - 1 - HG13 ILE 129 - HE3 LYS 24 lone 1 70 - 1 - HB2 ARG 23 - HE3 LYS 36 lone 1 75 - 1 - HG13 ILE 129 - HE3 LYS 36 lone 1 70 - 1 - HB2 ARG 23 - HE3 LYS 86 lone 0 90 - 0 - Peak 317 from cnoeabs.peaks (1.81, 2.96, 41.80 ppm; 3.38 A): 6 out of 54 assignments used, quality = 1.00: * HB3 LYS 19 + HE2 LYS 19 OK 83 100 - 83 - 5.1=30, 3.0/318=13...(50) HB2 LYS 36 + HE2 LYS 36 OK 77 90 - 85 - 4.9=32, 989/4.0=15...(36) HB2 LYS 36 + HE3 LYS 36 OK 64 75 - 85 - 4.9=32, 989/4.0=15...(38) HB3 LYS 24 + HE2 LYS 24 OK 63 85 - 74 - 5.1=30, 2.9/520=5...(42) HB3 LYS 24 + HE3 LYS 24 OK 61 85 - 71 - 5.1=30, 2.9/520=5...(35) HB3 LYS 24 + HE2 LYS 19 OK 48 99 - 49 - 263/3.8=6, 306/2.9=3...(19) HB3 LYS 31 - HE2 LYS 19 OK 44 100 - 44 - 263/3.8=6, 266/2.9=3...(18) HB3 LYS 31 - HE2 LYS 24 OK 41 87 - 48 - 1.8/558=3, 515/4.0=2...(26) HB3 LYS 19 - HE2 LYS 24 OK 39 87 - 46 - 3.0/318=5, ~318=3...(18) HB3 LYS 31 - HE3 LYS 24 OK 36 87 - 42 - ~558=2, 515/4.0=2...(20) HB3 LYS 19 - HE3 LYS 24 OK 36 87 - 42 - 3.0/318=5, ~318=3...(20) HB3 LYS 26 - HE2 LYS 19 OK 34 81 - 42 - 273/3.8=3, 1.8/316=2...(18) HB2 LYS 36 - HE2 LYS 24 OK 32 75 - 43 - 1.8/1053=4, 3.0/1014=3...(21) HB2 LYS 36 - HE3 LYS 24 OK 29 75 - 39 - 1.8/1064=3, ~1053=3...(18) HB3 LYS 24 - HE2 LYS 36 OK 27 98 - 28 - 2.9/520=2, 1008/4.0=2...(9) HB3 LYS 31 - HE2 LYS 36 OK 27 99 - 27 - 1019/4.0=2, 1008/4.0=2...(6) HB3 LYS 26 - HE2 LYS 24 OK 27 64 - 42 - 1.8/558=2, 515/4.0=2...(14) HB3 LYS 19 - HE2 LYS 36 OK 25 99 - 25 - 3.0/318=3, ~318=1...(4) HB3 LYS 26 - HE3 LYS 24 OK 24 64 - 37 - 515/4.0=2, ~558=2...(14) HB3 LYS 24 - HE3 LYS 36 OK 23 85 - 27 - 1008/4.0=2, 1019/4.0=2...(13) HB3 LYS 31 - HE3 LYS 36 OK 22 87 - 25 - 1019/4.0=2, 1008/4.0=2...(6) HB3 LYS 19 - HE3 LYS 36 OK 20 87 - 23 - 3.0/318=2, ~318=2, 1.8/316=1 HB2 LYS 36 - HE2 LYS 19 OK 20 92 - 21 - 1.8/1053=2, 3.0/1025=2...(5) HB ILE 32 - HE2 LYS 19 OK 18 87 - 21 - 900/3.8=2, ~10757=2...(11) HB ILE 32 - HE2 LYS 36 OK 18 85 - 21 - ~10837=3, ~10842=2...(10) HB3 LYS 26 - HE2 LYS 36 OK 17 79 - 21 - 1008/4.0=2, 1019/4.0=2...(5) HB ILE 32 - HE3 LYS 36 OK 14 70 - 20 - ~10837=3, 3.2/10903=2...(10) HB3 LYS 26 - HE3 LYS 36 OK 13 64 - 20 - 1008/4.0=2, 1019/4.0=2...(5) HB2 LYS 36 - HE3 LYS 86 poor 9 90 - 10 - ~2697=2, 989/3.7=2, 1.8/1053=1 HB ILE 32 - HE2 LYS 24 poor 7 70 - 11 - 900/4.0=1 HB ILE 32 - HE3 LYS 24 lone 7 70 - 10 - 900/4.0=1, 3.2/10903=1 HB3 LEU 123 - HE2 LYS 36 lone 6 59 - 10 - ~10705=2, 1008/4.0=1, 1019/4.0=1 HB3 LYS 31 - HE3 LYS 86 lone 5 99 - 5 - HB3 LEU 123 - HE2 LYS 19 lone 5 61 - 8 - ~10705=2 HB3 LEU 123 - HE3 LYS 36 lone 4 47 - 8 - 1008/4.0=1, 1019/4.0=1 HB3 LYS 24 - HE3 LYS 86 lone 3 98 - 3 - HB3 LYS 19 - HE3 LYS 86 lone 3 99 - 3 - HB3 LYS 26 - HE3 LYS 86 lone 2 79 - 2 - HB3 ARG 135 - HE2 LYS 36 lone 1 85 - 1 - HB3 ARG 135 - HE3 LYS 36 lone 1 70 - 1 - HB3 LEU 123 - HE2 LYS 24 lone 1 47 - 2 - HB ILE 32 - HE3 LYS 86 lone 1 85 - 1 - HB2 ARG 84 - HE2 LYS 19 lone 1 98 - 1 - HB3 LEU 123 - HE3 LYS 24 lone 1 47 - 1 - HB3 LEU 123 - HE3 LYS 86 lone 1 59 - 1 - HB3 ARG 135 - HE2 LYS 19 lone 1 87 - 1 - HB2 ARG 84 - HE2 LYS 36 lone 1 97 - 1 - HB3 ARG 135 - HE2 LYS 24 lone 0 70 - 1 - HB3 ARG 135 - HE3 LYS 24 lone 0 70 - 1 - HB2 ARG 84 - HE2 LYS 24 lone 0 83 - 1 - HB2 ARG 84 - HE3 LYS 36 lone 0 83 - 1 - HB2 ARG 84 - HE3 LYS 24 lone 0 83 - 1 - HB2 ARG 84 - HE3 LYS 86 lone 0 97 - 0 - HB3 ARG 135 - HE3 LYS 86 lone 0 85 - 0 - Peak 318 from cnoeabs.peaks (1.36, 2.96, 41.80 ppm; 3.00 A): 3 out of 12 assignments used, quality = 0.94: * HG2 LYS 19 + HE2 LYS 19 OK 85 100 - 85 - 3.8=49, 296/2.9=13...(35) HG2 LYS 19 + HE2 LYS 24 OK 36 87 - 42 - 285/4.0=5, 278=5...(11) HG2 LYS 19 + HE3 LYS 24 OK 34 87 - 40 - 285/4.0=5, 278=5...(13) HG2 LYS 19 - HE2 LYS 36 OK 20 99 - 19 - 278=3, 278/1.8=2, 1.8/319=1 HG2 LYS 19 - HE3 LYS 36 OK 17 87 - 19 - 278=2, 278/1.8=2 QB ALA 12 - HE2 LYS 19 lone 4 92 - 5 - HG2 LYS 19 - HE3 LYS 86 lone 2 99 - 2 - QB ALA 12 - HE2 LYS 24 lone 1 75 - 1 - QB ALA 12 - HE3 LYS 24 lone 1 75 - 1 - QB ALA 12 - HE2 LYS 36 lone 0 90 - 0 - QB ALA 12 - HE3 LYS 36 lone 0 75 - 0 - QB ALA 12 - HE3 LYS 86 lone 0 90 - 0 - Peak 319 from cnoeabs.peaks (1.44, 2.96, 41.80 ppm; 2.90 A): 3 out of 24 assignments used, quality = 0.97: * HG3 LYS 19 + HE2 LYS 19 OK 81 100 - 81 - 3.8=44, 1.8/318=13...(30) HG3 LYS 24 + HE2 LYS 24 OK 62 85 - 74 - 4.0=39, 1.8/520=6...(18) HG3 LYS 24 + HE3 LYS 24 OK 60 85 - 70 - 4.0=39, 1.8/520=5...(21) HG3 LYS 24 - HE2 LYS 19 OK 41 99 - 41 - 285/3.8=5, 297/2.9=3...(10) HG3 LYS 19 - HE2 LYS 24 OK 34 87 - 39 - 1.8/318=6, ~318=3...(15) HG2 LYS 31 - HE2 LYS 19 OK 34 99 - 34 - 275/3.8=3, 297/2.9=2...(13) HG2 LYS 31 - HE2 LYS 24 OK 32 85 - 38 - 828/3.0=2, 828/3.0=2...(15) HG3 LYS 19 - HE3 LYS 24 OK 31 87 - 36 - 1.8/318=5, ~318=3...(14) HG2 LYS 31 - HE3 LYS 24 OK 28 85 - 34 - 828/3.0=2, 828/3.0=2...(12) HG3 LYS 24 - HE2 LYS 36 OK 22 98 - 22 - 1.8/520=2, 531=1...(5) HG3 LYS 19 - HE2 LYS 36 OK 19 99 - 19 - 1.8/318=3, ~318=2, 531=1, ~329=1 HG3 LYS 24 - HE3 LYS 36 OK 18 85 - 22 - 1.8/520=2, ~520=1...(6) HG2 LYS 31 - HE2 LYS 36 OK 17 98 - 17 - 829/1.8=1 HG3 LYS 19 - HE3 LYS 36 OK 15 87 - 18 - 1.8/318=3, ~318=2...(4) HG13 ILE 32 - HE2 LYS 19 OK 14 92 - 15 - 2.1/10903=2, 275/3.8=2...(6) HG2 LYS 31 - HE3 LYS 36 OK 13 85 - 15 - HG13 ILE 32 - HE2 LYS 36 OK 11 90 - 12 - ~10903=2, ~10842=2...(5) HG13 ILE 32 - HE3 LYS 36 poor 8 75 - 11 - 2.1/10903=2, ~10842=2...(6) HG13 ILE 32 - HE2 LYS 24 lone 5 75 - 7 - ~10903=1 HG13 ILE 32 - HE3 LYS 24 lone 5 75 - 6 - 2.1/10903=1 HG3 LYS 24 - HE3 LYS 86 lone 4 98 - 4 - HG2 LYS 31 - HE3 LYS 86 lone 4 98 - 4 - HG3 LYS 19 - HE3 LYS 86 lone 2 99 - 2 - HG13 ILE 32 - HE3 LYS 86 lone 0 90 - 1 - Peak 320 from cnoeabs.peaks (1.65, 2.96, 41.80 ppm; 2.50 A): 2 out of 48 assignments used, quality = 0.95: HD3 LYS 19 + HE2 LYS 19 OK 78 100 - 78 - 2.9=62, 3.0/318=7...(22) * HD2 LYS 19 + HE2 LYS 19 OK 78 100 - 78 - 2.9=62, 3.0/318=7...(22) HD3 LYS 19 - HE2 LYS 24 OK 18 87 - 21 - 3.0/318=3, 311=2...(7) HD2 LYS 19 - HE2 LYS 24 OK 18 87 - 21 - 3.0/318=3, 300=2...(7) HD2 LYS 19 - HE3 LYS 24 OK 17 87 - 19 - 3.0/318=3, 300=2...(6) HD3 LYS 19 - HE3 LYS 24 OK 17 87 - 19 - 3.0/318=3, 300=2...(6) HD2 LYS 19 - HE2 LYS 36 OK 10 99 - 10 - 3.0/318=2, 300=1 HD3 LYS 19 - HE2 LYS 36 OK 10 99 - 10 - 3.0/318=2, 311=1 HD3 LYS 19 - HE3 LYS 36 lone 8 87 - 9 - 3.0/318=1, 300=1 HD2 LYS 19 - HE3 LYS 36 lone 8 87 - 9 - 3.0/318=1, 311=1 HD3 LYS 26 - HE2 LYS 19 poor 8 65 - 12 - 276/3.8=1 HB2 LEU 123 - HE2 LYS 36 lone 7 99 - 7 - 1.8/1053=1, 3922/4.9=1 HD3 LYS 26 - HE2 LYS 24 poor 7 50 - 13 - 2.9/560=1 HD3 LYS 26 - HE3 LYS 24 poor 5 50 - 11 - HB2 LEU 123 - HE3 LYS 36 lone 5 86 - 6 - 3922/4.9=1 HB2 LEU 123 - HE2 LYS 19 lone 5 100 - 5 - HD3 LYS 26 - HE2 LYS 36 lone 3 64 - 5 - HG LEU 43 - HE2 LYS 19 lone 3 87 - 4 - HD3 LYS 26 - HE3 LYS 36 lone 2 50 - 4 - HD3 LYS 19 - HE3 LYS 86 lone 2 99 - 2 - HD2 LYS 19 - HE3 LYS 86 lone 2 99 - 2 - HG LEU 62 - HE2 LYS 19 lone 1 100 - 1 - HD3 LYS 26 - HE3 LYS 86 lone 1 64 - 2 - HB2 LEU 98 - HE2 LYS 19 lone 1 98 - 1 - HB2 LEU 123 - HE2 LYS 24 lone 1 86 - 1 - HD2 LYS 95 - HE2 LYS 24 lone 1 75 - 1 - HD2 LYS 95 - HE3 LYS 24 lone 1 75 - 1 - HG LEU 62 - HE2 LYS 24 lone 1 86 - 1 - HB2 LEU 123 - HE3 LYS 24 lone 1 86 - 1 - HG LEU 62 - HE3 LYS 24 lone 1 86 - 1 - HB2 LEU 123 - HE3 LYS 86 lone 1 99 - 1 - HB2 LEU 98 - HE2 LYS 24 lone 1 83 - 1 - HB2 LEU 98 - HE3 LYS 24 lone 1 83 - 1 - HD2 LYS 95 - HE3 LYS 86 lone 1 90 - 1 - HD2 LYS 95 - HE2 LYS 19 lone 0 92 - 0 - HB2 LEU 98 - HE3 LYS 86 lone 0 97 - 0 - HD2 LYS 95 - HE2 LYS 36 lone 0 90 - 0 - HD2 LYS 95 - HE3 LYS 36 lone 0 75 - 0 - HB2 LEU 98 - HE2 LYS 36 lone 0 97 - 0 - HG LEU 62 - HE2 LYS 36 lone 0 99 - 0 - HG LEU 43 - HE2 LYS 36 lone 0 85 - 0 - HG LEU 43 - HE2 LYS 24 lone 0 70 - 0 - HG LEU 43 - HE3 LYS 24 lone 0 70 - 0 - HG LEU 62 - HE3 LYS 36 lone 0 86 - 0 - HG LEU 62 - HE3 LYS 86 lone 0 99 - 0 - HB2 LEU 98 - HE3 LYS 36 lone 0 83 - 0 - HG LEU 43 - HE3 LYS 86 lone 0 85 - 0 - HG LEU 43 - HE3 LYS 36 lone 0 70 - 0 - Peak 321 from cnoeabs.peaks (1.65, 2.96, 41.80 ppm; 2.50 A): 2 out of 48 assignments used, quality = 0.95: * HD3 LYS 19 + HE2 LYS 19 OK 78 100 - 78 - 2.9=62, 3.0/318=7...(22) HD2 LYS 19 + HE2 LYS 19 OK 78 100 - 78 - 2.9=62, 3.0/318=7...(22) HD3 LYS 19 - HE2 LYS 24 OK 18 87 - 21 - 3.0/318=3, 311=2...(7) HD2 LYS 19 - HE2 LYS 24 OK 18 87 - 21 - 3.0/318=3, 300=2...(7) HD2 LYS 19 - HE3 LYS 24 OK 17 87 - 19 - 3.0/318=3, 300=2...(6) HD3 LYS 19 - HE3 LYS 24 OK 17 87 - 19 - 3.0/318=3, 300=2...(6) HD2 LYS 19 - HE2 LYS 36 OK 10 99 - 10 - 3.0/318=2, 300=1 HD3 LYS 19 - HE2 LYS 36 OK 10 99 - 10 - 3.0/318=2, 311=1 HD3 LYS 19 - HE3 LYS 36 lone 8 87 - 9 - 3.0/318=1, 300=1 HD2 LYS 19 - HE3 LYS 36 lone 8 87 - 9 - 3.0/318=1, 311=1 HD3 LYS 26 - HE2 LYS 19 poor 8 65 - 12 - 276/3.8=1 HB2 LEU 123 - HE2 LYS 36 lone 7 99 - 7 - 1.8/1053=1, 3922/4.9=1 HD3 LYS 26 - HE2 LYS 24 poor 7 50 - 13 - 2.9/560=1 HD3 LYS 26 - HE3 LYS 24 poor 5 50 - 11 - HB2 LEU 123 - HE3 LYS 36 lone 5 86 - 6 - 3922/4.9=1 HB2 LEU 123 - HE2 LYS 19 lone 5 100 - 5 - HD3 LYS 26 - HE2 LYS 36 lone 3 64 - 5 - HG LEU 43 - HE2 LYS 19 lone 3 87 - 4 - HD3 LYS 26 - HE3 LYS 36 lone 2 50 - 4 - HD3 LYS 19 - HE3 LYS 86 lone 2 99 - 2 - HD2 LYS 19 - HE3 LYS 86 lone 2 99 - 2 - HG LEU 62 - HE2 LYS 19 lone 1 100 - 1 - HD3 LYS 26 - HE3 LYS 86 lone 1 64 - 2 - HB2 LEU 98 - HE2 LYS 19 lone 1 98 - 1 - HB2 LEU 123 - HE2 LYS 24 lone 1 86 - 1 - HD2 LYS 95 - HE2 LYS 24 lone 1 75 - 1 - HD2 LYS 95 - HE3 LYS 24 lone 1 75 - 1 - HG LEU 62 - HE2 LYS 24 lone 1 86 - 1 - HB2 LEU 123 - HE3 LYS 24 lone 1 86 - 1 - HG LEU 62 - HE3 LYS 24 lone 1 86 - 1 - HB2 LEU 123 - HE3 LYS 86 lone 1 99 - 1 - HB2 LEU 98 - HE2 LYS 24 lone 1 83 - 1 - HB2 LEU 98 - HE3 LYS 24 lone 1 83 - 1 - HD2 LYS 95 - HE3 LYS 86 lone 1 90 - 1 - HD2 LYS 95 - HE2 LYS 19 lone 0 92 - 0 - HB2 LEU 98 - HE3 LYS 86 lone 0 97 - 0 - HD2 LYS 95 - HE2 LYS 36 lone 0 90 - 0 - HD2 LYS 95 - HE3 LYS 36 lone 0 75 - 0 - HB2 LEU 98 - HE2 LYS 36 lone 0 97 - 0 - HG LEU 62 - HE2 LYS 36 lone 0 99 - 0 - HG LEU 43 - HE2 LYS 36 lone 0 85 - 0 - HG LEU 43 - HE2 LYS 24 lone 0 70 - 0 - HG LEU 43 - HE3 LYS 24 lone 0 70 - 0 - HG LEU 62 - HE3 LYS 36 lone 0 86 - 0 - HG LEU 62 - HE3 LYS 86 lone 0 99 - 0 - HB2 LEU 98 - HE3 LYS 36 lone 0 83 - 0 - HG LEU 43 - HE3 LYS 86 lone 0 85 - 0 - HG LEU 43 - HE3 LYS 36 lone 0 70 - 0 - Peak 322 from cnoeabs.peaks (2.96, 2.96, 41.80 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: * HE2 LYS 19 + HE2 LYS 19 OK 100 100 - 100 HE2 LYS 36 + HE2 LYS 36 OK 99 99 - 100 HE3 LYS 86 + HE3 LYS 86 OK 99 99 - 100 HE3 LYS 36 + HE3 LYS 36 OK 83 83 - 100 HE2 LYS 24 + HE2 LYS 24 OK 83 83 - 100 HE3 LYS 24 + HE3 LYS 24 OK 83 83 - 100 Peak 323 from cnoeabs.peaks (2.96, 2.96, 41.80 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: HE3 LYS 86 + HE3 LYS 86 OK 90 90 - 100 HE2 LYS 19 + HE2 LYS 19 OK 87 87 - 100 HE3 LYS 36 + HE3 LYS 36 OK 83 83 - 100 HE3 LYS 24 + HE3 LYS 24 OK 83 83 - 100 HE2 LYS 36 + HE2 LYS 36 OK 79 79 - 100 HE2 LYS 24 + HE2 LYS 24 OK 50 50 - 100 Reference assignment not found: HE3 LYS 19 - HE2 LYS 19 Peak 326 from cnoeabs.peaks (4.27, 2.96, 41.80 ppm; 3.67 A): 3 out of 80 assignments used, quality = 0.96: * HA LYS 19 + HE3 LYS 19 OK 77 100 - 77 - 6.4=19, 241/3.8=18...(33) HA LYS 26 + HE2 LYS 26 OK 58 85 - 68 - 6.6=17, 627/3.6=11...(27) HA LYS 26 + HE3 LYS 26 OK 58 85 - 68 - 6.6=17, 627/3.6=11...(27) HA LYS 26 - HE2 LYS 31 OK 44 99 - 44 - 597/3.7=3, 4.0/634=3...(17) HA LYS 26 - HE3 LYS 19 OK 41 99 - 42 - 241/3.8=8, 304/2.9=4...(16) HA LYS 36 - HE3 LYS 36 OK 41 57 - 72 - 6.0=23, 978/4.0=11...(24) HA LYS 26 - HE3 LYS 31 OK 39 85 - 46 - 597/3.7=3, 4.0/634=3...(17) HA LYS 19 - HE3 LYS 26 OK 37 87 - 42 - 627/3.6=6, 638/3.6=4...(13) HA LYS 19 - HE2 LYS 26 OK 37 87 - 42 - 627/3.6=6, 638/3.6=4...(13) HA LYS 31 - HE2 LYS 31 OK 35 57 - 61 - 6.5=18, 793/3.7=5...(28) HA LYS 19 - HE2 LYS 31 OK 34 100 - 34 - 242/3.7=3, 4.2/329=3...(10) HA LYS 26 - HE3 LYS 24 OK 33 85 - 39 - 598/4.0=4, 282/4.0=4...(14) HA LYS 19 - HE3 LYS 31 OK 31 87 - 36 - 242/3.7=3, 4.2/329=3...(10) HA LYS 19 - HE3 LYS 24 OK 30 87 - 35 - 242/4.0=4, 4.2/329=3...(12) HA LYS 31 - HE3 LYS 31 OK 27 44 - 63 - 6.5=18, 793/3.7=5...(26) HA LYS 31 - HE2 LYS 26 OK 20 44 - 46 - 627/3.6=4, 3.8/841=3...(19) HA LYS 31 - HE3 LYS 26 OK 20 44 - 46 - 627/3.6=4, 3.8/841=3...(19) HA LYS 31 - HE3 LYS 19 OK 19 57 - 33 - 271/3.8=3, 3.8/841=2...(9) HA LYS 36 - HE3 LYS 24 OK 17 57 - 29 - 3.0/1064=3, ~1053=2...(14) HA LYS 36 - HE2 LYS 31 OK 16 73 - 22 - 3.0/1064=2, 979/3.0=1...(9) HA LYS 19 - HE3 LYS 36 OK 15 87 - 17 - 4.2/329=1 HA LYS 31 - HE3 LYS 24 OK 15 44 - 34 - 3.8/840=2, 3.8/829=2...(13) HA LYS 26 - HE3 LYS 36 OK 14 85 - 16 - 598/4.0=2, 1018/4.0=1 HA LYS 36 - HE3 LYS 31 OK 13 57 - 23 - 979/3.0=1, 3.0/1004=1...(10) HA LYS 36 - HE3 LYS 19 OK 12 73 - 17 - 4.1/1015=1, 3.0/1064=1...(5) HA LYS 31 - HE3 LYS 36 poor 10 44 - 23 - 1007/4.0=2, 1018/4.0=2...(7) HA PHE 87 - HE3 LYS 19 lone 8 99 - 8 - 9841/2.9=2, 9841/2.9=2, ~9834=1 HA LYS 36 - HE3 LYS 26 poor 7 57 - 13 - 627/3.6=2, 977/3.6=2, 616/4.8=1 HA LYS 36 - HE2 LYS 26 poor 7 57 - 13 - 627/3.6=2, 977/3.6=2, 616/4.8=1 HA PHE 87 - HE3 LYS 86 poor 6 56 - 11 - 2724/4.9=6, ~7161=3, ~7160=3 HB THR 115 - HE3 LYS 36 lone 5 64 - 8 - 10191/4.0=4, 1018/4.0=1 HB THR 115 - HE3 LYS 26 lone 4 64 - 7 - 10191/3.6=2, 11521/7.1=2 HB THR 115 - HE2 LYS 26 lone 4 64 - 7 - 10191/3.6=2, 11521/7.1=2 HB THR 115 - HE3 LYS 24 lone 3 64 - 5 - 10191/4.0=2 HA PHE 87 - HE3 LYS 26 lone 2 85 - 3 - HA PHE 87 - HE2 LYS 26 lone 2 85 - 3 - HA LYS 19 - HE3 LYS 86 lone 2 57 - 4 - HA PHE 87 - HE3 LYS 24 lone 2 85 - 2 - HA LYS 36 - HE3 LYS 86 lone 2 35 - 5 - 978/3.7=2 HB THR 115 - HE3 LYS 19 lone 2 81 - 2 - HA PHE 87 - HE2 LYS 31 lone 2 99 - 2 - HA ALA 108 - HE3 LYS 36 lone 2 44 - 3 - HA LYS 26 - HE3 LYS 86 lone 1 56 - 2 - HA PHE 87 - HE3 LYS 31 lone 1 85 - 2 - HA ALA 109 - HE2 LYS 31 lone 1 57 - 2 - HA ALA 108 - HE2 LYS 31 lone 1 57 - 2 - HB THR 115 - HE2 LYS 31 lone 1 81 - 2 - HA ALA 109 - HE3 LYS 36 lone 1 44 - 2 - HA ALA 108 - HE3 LYS 31 lone 1 44 - 2 - HA ALA 109 - HE3 LYS 31 lone 1 44 - 2 - HB THR 115 - HE3 LYS 31 lone 1 64 - 2 - HA PHE 87 - HE3 LYS 36 lone 1 85 - 1 - HA LEU 22 - HE3 LYS 36 lone 1 44 - 2 - HA LYS 31 - HE3 LYS 86 lone 1 26 - 3 - HA LEU 22 - HE2 LYS 31 lone 1 57 - 1 - HA LEU 22 - HE3 LYS 26 lone 1 44 - 2 - HA LEU 22 - HE2 LYS 26 lone 1 44 - 2 - HA ALA 16 - HE3 LYS 36 lone 1 50 - 1 - HA ALA 108 - HE3 LYS 26 lone 1 44 - 1 - HA ALA 108 - HE2 LYS 26 lone 1 44 - 1 - HA LEU 22 - HE3 LYS 31 lone 1 44 - 1 - HA ALA 109 - HE3 LYS 26 lone 1 44 - 1 - HA ALA 109 - HE2 LYS 26 lone 1 44 - 1 - HA ALA 16 - HE2 LYS 31 lone 1 65 - 1 - HA ALA 108 - HE3 LYS 19 lone 1 57 - 1 - HA LEU 22 - HE3 LYS 19 lone 1 57 - 1 - HA ALA 16 - HE3 LYS 19 lone 0 65 - 1 - HA ALA 109 - HE3 LYS 19 lone 0 57 - 1 - HA ALA 16 - HE3 LYS 26 lone 0 50 - 1 - HA ALA 16 - HE2 LYS 26 lone 0 50 - 1 - HA ALA 108 - HE3 LYS 24 lone 0 44 - 1 - HA ALA 16 - HE3 LYS 31 lone 0 50 - 1 - HA LEU 22 - HE3 LYS 24 lone 0 44 - 1 - HA ALA 109 - HE3 LYS 24 lone 0 44 - 1 - HA ALA 16 - HE3 LYS 24 lone 0 50 - 1 - HB THR 115 - HE3 LYS 86 lone 0 39 - 1 - HA ALA 16 - HE3 LYS 86 lone 0 31 - 0 - HA ALA 108 - HE3 LYS 86 lone 0 26 - 0 - HA LEU 22 - HE3 LYS 86 lone 0 26 - 0 - HA ALA 109 - HE3 LYS 86 lone 0 26 - 0 - Peak 327 from cnoeabs.peaks (1.75, 2.96, 41.80 ppm; 3.12 A): 6 out of 48 assignments used, quality = 1.00: * HB2 LYS 19 + HE3 LYS 19 OK 75 100 - 75 - 5.1=23, 252/3.8=11...(42) HB2 LYS 26 + HE2 LYS 26 OK 61 87 - 70 - 4.8=28, 628/3.6=7...(32) HB2 LYS 26 + HE3 LYS 26 OK 61 87 - 70 - 4.8=28, 628/3.6=7...(32) HB2 LYS 31 + HE2 LYS 31 OK 57 81 - 71 - 4.8=27, 804/3.7=6...(30) HB2 LYS 24 + HE3 LYS 24 OK 51 83 - 62 - 5.1=23, 283/4.0=3...(30) HB2 LYS 31 + HE3 LYS 31 OK 46 64 - 73 - 4.8=27, 804/3.7=6...(33) HB2 LYS 26 - HE2 LYS 31 OK 44 100 - 44 - 3.0/635=3, 834/3.7=2...(19) HB2 LYS 24 - HE3 LYS 19 OK 40 98 - 41 - 252/3.8=5, 305/2.9=3...(17) HB2 LYS 26 - HE3 LYS 31 OK 40 87 - 46 - 3.0/634=3, 1.8/624=2...(19) HB2 LYS 24 - HE2 LYS 31 OK 37 98 - 38 - 823/3.7=3, 834/3.7=3...(6) HB2 LYS 26 - HE3 LYS 19 OK 34 100 - 34 - 252/3.8=4, 305/2.9=3...(7) HB2 LYS 24 - HE3 LYS 31 OK 33 83 - 40 - 823/3.7=3, 834/3.7=3...(7) HB2 LYS 19 - HE2 LYS 31 OK 33 100 - 33 - 3.0/329=3, 823/3.7=2...(8) HB2 LYS 24 - HE2 LYS 26 OK 32 83 - 39 - 628/3.6=4, 639/3.6=3...(10) HB2 LYS 24 - HE3 LYS 26 OK 32 83 - 39 - 628/3.6=4, 639/3.6=3...(10) HB2 LYS 19 - HE3 LYS 26 OK 32 87 - 37 - 628/3.6=4, 3.0/329=3...(8) HB2 LYS 19 - HE2 LYS 26 OK 32 87 - 37 - 628/3.6=4, 3.0/329=3...(8) HB2 LYS 31 - HE2 LYS 26 OK 30 64 - 48 - 628/3.6=3, 3.0/841=3...(17) HB2 LYS 31 - HE3 LYS 26 OK 30 64 - 48 - 628/3.6=3, 3.0/841=3...(17) HB2 LYS 19 - HE3 LYS 31 OK 30 87 - 34 - 3.0/329=3, 823/3.7=2...(9) HB2 LYS 19 - HE3 LYS 24 OK 30 87 - 34 - 3.0/329=3, ~318=2...(11) HB2 LYS 31 - HE3 LYS 19 OK 29 81 - 36 - 272/3.8=3, 305/2.9=2...(11) HB2 LYS 26 - HE3 LYS 24 OK 28 87 - 32 - 514/4.0=2, 3.0/634=2...(13) HB2 LYS 31 - HE3 LYS 24 OK 23 64 - 37 - 514/4.0=2, 3.0/840=2...(9) HB2 LYS 24 - HE3 LYS 36 OK 16 83 - 19 - 2.9/521=1 HB2 LYS 19 - HE3 LYS 36 OK 15 87 - 17 - 3.0/329=2, ~318=1 HB2 LYS 31 - HE3 LYS 36 OK 13 64 - 20 - 3.0/840=1 HB2 LYS 26 - HE3 LYS 36 OK 12 87 - 14 - HB2 ARG 23 - HE2 LYS 26 lone 6 75 - 8 - 428/4.8=2, 628/3.6=2...(4) HB2 ARG 23 - HE3 LYS 26 lone 6 75 - 8 - 428/4.8=2, 628/3.6=2...(4) HB2 ARG 23 - HE3 LYS 24 lone 4 75 - 5 - 6213/7.4=1 HB2 ARG 23 - HE3 LYS 19 lone 2 92 - 2 - HG13 ILE 129 - HE3 LYS 86 lone 2 44 - 4 - ~11777=2 HG13 ILE 129 - HE3 LYS 26 lone 2 70 - 3 - 628/3.6=1 HG13 ILE 129 - HE2 LYS 26 lone 2 70 - 3 - 628/3.6=1 HB2 LYS 31 - HE3 LYS 86 lone 2 39 - 4 - HB2 LYS 24 - HE3 LYS 86 lone 1 54 - 2 - HB2 ARG 23 - HE2 LYS 31 lone 1 92 - 1 - HB2 LYS 19 - HE3 LYS 86 lone 1 57 - 2 - HB2 LYS 26 - HE3 LYS 86 lone 1 57 - 2 - HG13 ILE 129 - HE2 LYS 31 lone 1 87 - 1 - HB2 ARG 23 - HE3 LYS 31 lone 1 75 - 1 - HG13 ILE 129 - HE3 LYS 31 lone 1 70 - 1 - HG13 ILE 129 - HE3 LYS 19 lone 1 87 - 1 - HB2 ARG 23 - HE3 LYS 36 lone 1 75 - 1 - HG13 ILE 129 - HE3 LYS 24 lone 1 70 - 1 - HG13 ILE 129 - HE3 LYS 36 lone 0 70 - 0 - HB2 ARG 23 - HE3 LYS 86 lone 0 48 - 0 - Peak 328 from cnoeabs.peaks (1.81, 2.96, 41.80 ppm; 3.24 A): 7 out of 72 assignments used, quality = 1.00: * HB3 LYS 19 + HE3 LYS 19 OK 78 100 - 78 - 5.1=26, 263/3.8=11...(42) HB3 LYS 31 + HE2 LYS 31 OK 75 100 - 75 - 4.8=30, 815/3.7=7...(37) HB3 LYS 31 + HE3 LYS 31 OK 67 87 - 77 - 4.8=30, 815/3.7=7...(37) HB2 LYS 36 + HE3 LYS 36 OK 61 75 - 82 - 4.9=28, 989/4.0=13...(37) HB3 LYS 24 + HE3 LYS 24 OK 57 85 - 67 - 5.1=26, 515/4.0=4...(32) HB3 LYS 26 + HE2 LYS 26 OK 48 64 - 75 - 4.8=31, 619/3.6=7...(38) HB3 LYS 26 + HE3 LYS 26 OK 48 64 - 75 - 4.8=31, 619/3.6=7...(38) HB3 LYS 31 - HE2 LYS 26 OK 44 87 - 51 - 3.0/841=3, 3.0/830=3...(23) HB3 LYS 31 - HE3 LYS 26 OK 44 87 - 51 - 3.0/841=3, 3.0/830=3...(23) HB3 LYS 24 - HE3 LYS 19 OK 44 99 - 44 - 263/3.8=5, 306/2.9=3...(24) HB3 LYS 24 - HE2 LYS 31 OK 43 99 - 43 - 835/3.7=4, 824/3.7=4...(16) HB3 LYS 26 - HE2 LYS 31 OK 39 81 - 49 - 835/3.7=3, 3.0/635=3...(20) HB3 LYS 24 - HE3 LYS 31 OK 39 85 - 46 - 835/3.7=4, 824/3.7=4...(14) HB3 LYS 19 - HE2 LYS 31 OK 38 100 - 38 - 3.0/329=4, 835/3.7=3...(12) HB3 LYS 31 - HE3 LYS 19 OK 38 100 - 38 - 263/3.8=5, 265/2.9=3...(16) HB3 LYS 19 - HE3 LYS 31 OK 34 87 - 40 - 3.0/329=3, 835/3.7=3...(12) HB3 LYS 24 - HE3 LYS 26 OK 34 85 - 41 - 505/3.6=2, 619/3.6=2...(11) HB3 LYS 24 - HE2 LYS 26 OK 34 85 - 41 - 505/3.6=2, 619/3.6=2...(11) HB3 LYS 31 - HE3 LYS 24 OK 34 87 - 40 - 3.0/840=2, ~558=2...(14) HB3 LYS 19 - HE2 LYS 26 OK 33 87 - 38 - 3.0/329=3, 815/3.6=2...(12) HB3 LYS 19 - HE3 LYS 26 OK 33 87 - 38 - 3.0/329=3, 815/3.6=2...(12) HB3 LYS 26 - HE3 LYS 31 OK 32 64 - 50 - 3.0/635=3, 835/3.7=3...(17) HB3 LYS 19 - HE3 LYS 24 OK 32 87 - 37 - 3.0/329=4, ~318=3...(15) HB3 LYS 26 - HE3 LYS 19 OK 29 81 - 37 - 273/3.8=3, 306/2.9=2...(17) HB ILE 32 - HE2 LYS 31 OK 29 87 - 33 - ~10757=5, ~10840=5...(11) HB2 LYS 36 - HE3 LYS 24 OK 27 75 - 36 - 1.8/1064=3, ~1053=3...(18) HB ILE 32 - HE3 LYS 31 OK 24 70 - 34 - 2.1/10757=6, ~10757=3...(13) HB2 LYS 36 - HE2 LYS 31 OK 24 92 - 26 - 1.8/1064=2, 835/3.7=2...(9) HB3 LYS 26 - HE3 LYS 24 OK 22 64 - 35 - 3.0/634=2, 515/4.0=2...(11) HB2 LYS 36 - HE3 LYS 31 OK 21 75 - 28 - 835/3.7=2, ~1064=2...(12) HB3 LYS 31 - HE3 LYS 36 OK 21 87 - 24 - 1019/4.0=2, 1008/4.0=2...(7) HB3 LYS 24 - HE3 LYS 36 OK 20 85 - 24 - 1008/4.0=2, 1019/4.0=2...(7) HB2 LYS 36 - HE3 LYS 19 OK 19 92 - 21 - 3.0/1015=1, ~1053=1...(5) HB3 LYS 19 - HE3 LYS 36 OK 18 87 - 20 - 3.0/329=2, ~318=1 HB ILE 32 - HE3 LYS 26 OK 16 70 - 23 - 2.1/10757=4, ~10757=3...(8) HB ILE 32 - HE2 LYS 26 OK 16 70 - 23 - 2.1/10757=4, ~10757=3...(8) HB ILE 32 - HE3 LYS 19 OK 15 87 - 17 - 900/3.8=2, 2.1/10757=2...(6) HB ILE 32 - HE3 LYS 36 OK 13 70 - 18 - ~10837=3, 3.2/10903=2...(8) HB3 LYS 26 - HE3 LYS 36 OK 12 64 - 19 - 1008/4.0=2, 1019/4.0=2...(4) HB2 LYS 36 - HE3 LYS 26 poor 9 75 - 11 - 988/3.6=2 HB2 LYS 36 - HE2 LYS 26 poor 9 75 - 11 - 988/3.6=2 HB ILE 32 - HE3 LYS 24 lone 6 70 - 9 - 900/4.0=1, 3.2/10903=1 HB3 LEU 123 - HE3 LYS 19 lone 5 61 - 9 - 3.2/10705=3 HB3 LEU 123 - HE3 LYS 36 lone 4 47 - 9 - 3.2/10705=3, 1008/4.0=1 HB2 LYS 36 - HE3 LYS 86 lone 4 48 - 9 - ~2697=2, 989/3.7=2 HB3 LEU 123 - HE3 LYS 26 lone 3 47 - 6 - 3.2/10705=1 HB3 LEU 123 - HE2 LYS 26 lone 3 47 - 6 - 3.2/10705=1 HB3 LYS 31 - HE3 LYS 86 lone 3 57 - 5 - HB3 LYS 24 - HE3 LYS 86 lone 1 56 - 3 - HB3 LYS 19 - HE3 LYS 86 lone 1 57 - 2 - HB3 LEU 123 - HE2 LYS 31 lone 1 61 - 1 - HB3 ARG 135 - HE3 LYS 36 lone 1 70 - 1 - HB2 ARG 84 - HE2 LYS 31 lone 1 98 - 1 - HB3 LYS 26 - HE3 LYS 86 lone 1 39 - 2 - HB3 LEU 123 - HE3 LYS 24 lone 1 47 - 2 - HB3 ARG 135 - HE2 LYS 31 lone 1 87 - 1 - HB2 ARG 84 - HE3 LYS 19 lone 1 98 - 1 - HB3 LEU 123 - HE3 LYS 31 lone 1 47 - 1 - HB2 ARG 84 - HE3 LYS 31 lone 1 83 - 1 - HB3 ARG 135 - HE3 LYS 19 lone 1 87 - 1 - HB3 ARG 135 - HE3 LYS 31 lone 1 70 - 1 - HB3 ARG 135 - HE2 LYS 26 lone 0 70 - 1 - HB3 ARG 135 - HE3 LYS 26 lone 0 70 - 1 - HB3 ARG 135 - HE3 LYS 24 lone 0 70 - 1 - HB2 ARG 84 - HE3 LYS 36 lone 0 83 - 0 - HB2 ARG 84 - HE3 LYS 24 lone 0 83 - 0 - HB2 ARG 84 - HE3 LYS 26 lone 0 83 - 0 - HB2 ARG 84 - HE2 LYS 26 lone 0 83 - 0 - HB3 LEU 123 - HE3 LYS 86 lone 0 28 - 1 - HB ILE 32 - HE3 LYS 86 lone 0 44 - 1 - HB2 ARG 84 - HE3 LYS 86 lone 0 54 - 0 - HB3 ARG 135 - HE3 LYS 86 lone 0 44 - 0 - Peak 329 from cnoeabs.peaks (1.36, 2.96, 41.80 ppm; 2.67 A): 7 out of 16 assignments used, quality = 0.94: * HG2 LYS 19 + HE3 LYS 19 OK 74 100 - 74 - 3.8=35, 296/2.9=10...(27) HG2 LYS 19 + HE2 LYS 31 OK 26 100 - 26 - 275/3.7=3, 279=3...(6) HG2 LYS 19 + HE3 LYS 24 OK 26 87 - 30 - 285/4.0=4, 279=3...(8) HG2 LYS 19 + HE3 LYS 31 OK 24 87 - 28 - 275/3.7=3, 279=3...(6) HG2 LYS 19 + HE2 LYS 26 OK 23 87 - 26 - 279=3, 279/1.8=2...(7) HG2 LYS 19 + HE3 LYS 26 OK 23 87 - 26 - 279=3, 279/1.8=2...(7) HG2 LYS 19 + HE3 LYS 36 OK 12 87 - 13 - 279=1, 278/1.8=1 QB ALA 12 - HE3 LYS 19 lone 3 92 - 3 - HG2 LYS 19 - HE3 LYS 86 lone 1 57 - 1 - QB ALA 12 - HE2 LYS 31 lone 0 92 - 0 - QB ALA 12 - HE3 LYS 24 lone 0 75 - 0 - QB ALA 12 - HE2 LYS 26 lone 0 75 - 0 - QB ALA 12 - HE3 LYS 26 lone 0 75 - 0 - QB ALA 12 - HE3 LYS 31 lone 0 75 - 0 - QB ALA 12 - HE3 LYS 36 lone 0 75 - 0 - QB ALA 12 - HE3 LYS 86 lone 0 48 - 0 - Peak 330 from cnoeabs.peaks (1.44, 2.96, 41.80 ppm; 2.64 A): 4 out of 32 assignments used, quality = 0.98: * HG3 LYS 19 + HE3 LYS 19 OK 72 100 - 72 - 3.8=33, 1.8/329=11...(22) HG2 LYS 31 + HE2 LYS 31 OK 65 99 - 66 - 3.7=37, 1.8/870=5...(17) HG2 LYS 31 + HE3 LYS 31 OK 57 85 - 67 - 3.7=37, 1.8/841=4...(15) HG3 LYS 24 + HE3 LYS 24 OK 50 85 - 59 - 4.0=29, 531/1.8=3...(17) HG3 LYS 24 - HE3 LYS 19 OK 32 99 - 32 - 285/3.8=4, 297/2.9=3...(8) HG2 LYS 31 - HE2 LYS 26 OK 30 85 - 36 - 1.8/841=3, 826/3.6=2...(14) HG2 LYS 31 - HE3 LYS 26 OK 30 85 - 36 - 1.8/841=3, 826/3.6=2...(14) HG3 LYS 24 - HE2 LYS 31 OK 30 99 - 30 - 836/3.7=3, 530/3.0=2...(7) HG3 LYS 24 - HE3 LYS 31 OK 27 85 - 32 - 836/3.7=3, 530/3.0=2...(7) HG2 LYS 31 - HE3 LYS 19 OK 26 99 - 26 - 275/3.8=3, 308/2.9=2...(8) HG3 LYS 19 - HE2 LYS 31 OK 26 100 - 26 - 1.8/329=4, 836/3.7=2...(8) HG3 LYS 19 - HE3 LYS 24 OK 24 87 - 28 - 1.8/329=4, ~318=3...(9) HG3 LYS 24 - HE2 LYS 26 OK 24 85 - 28 - 527/3.6=3, 530/3.0=1...(6) HG3 LYS 24 - HE3 LYS 26 OK 24 85 - 28 - 527/3.6=3, 530/3.0=1...(6) HG2 LYS 31 - HE3 LYS 24 OK 24 85 - 28 - 828/3.0=2, 828/3.0=2...(8) HG3 LYS 19 - HE3 LYS 31 OK 23 87 - 26 - 1.8/329=4, 836/3.7=2...(9) HG3 LYS 19 - HE2 LYS 26 OK 22 87 - 25 - 1.8/329=3, ~329=2...(6) HG3 LYS 19 - HE3 LYS 26 OK 22 87 - 25 - 1.8/329=3, ~329=2...(6) HG13 ILE 32 - HE2 LYS 31 OK 17 92 - 19 - 2.1/10804=3, 3.2/10757=2...(8) HG13 ILE 32 - HE3 LYS 31 OK 16 75 - 21 - 3.2/10757=3, 2.1/10804=2...(9) HG3 LYS 24 - HE3 LYS 36 OK 14 85 - 17 - ~520=1, 531/1.8=1 HG3 LYS 19 - HE3 LYS 36 OK 11 87 - 13 - 1.8/329=2, ~318=1 HG2 LYS 31 - HE3 LYS 36 OK 11 85 - 13 - HG13 ILE 32 - HE3 LYS 19 poor 10 92 - 10 - 2.1/10804=2, 275/3.8=1...(4) HG13 ILE 32 - HE2 LYS 26 poor 10 75 - 13 - 2.1/10804=2, 3.2/10757=2...(6) HG13 ILE 32 - HE3 LYS 26 poor 10 75 - 13 - 2.1/10804=2, 3.2/10757=2...(6) HG13 ILE 32 - HE3 LYS 36 lone 6 75 - 8 - 2.1/10903=2, ~10842=1 HG13 ILE 32 - HE3 LYS 24 lone 4 75 - 5 - HG2 LYS 31 - HE3 LYS 86 lone 2 56 - 3 - HG3 LYS 24 - HE3 LYS 86 lone 2 56 - 3 - HG3 LYS 19 - HE3 LYS 86 lone 1 57 - 1 - HG13 ILE 32 - HE3 LYS 86 lone 0 48 - 0 - Peak 331 from cnoeabs.peaks (1.65, 2.96, 41.80 ppm; 2.50 A): 2 out of 64 assignments used, quality = 0.95: HD3 LYS 19 + HE3 LYS 19 OK 78 100 - 78 - 2.9=62, 3.0/329=6...(24) * HD2 LYS 19 + HE3 LYS 19 OK 78 100 - 78 - 2.9=62, 3.0/329=6...(24) HD3 LYS 26 - HE2 LYS 26 OK 36 50 - 72 - 3.0=58, 2.9/635=3...(11) HD3 LYS 26 - HE3 LYS 26 OK 36 50 - 72 - 3.0=58, 2.9/635=3...(11) HD3 LYS 19 - HE3 LYS 24 OK 16 87 - 18 - 3.0/329=2, 312=2...(6) HD2 LYS 19 - HE3 LYS 24 OK 16 87 - 18 - 3.0/329=2, 312=2...(6) HD3 LYS 19 - HE2 LYS 31 OK 15 100 - 15 - 3.0/329=2, 301=2, 297/3.7=1 HD2 LYS 19 - HE2 LYS 31 OK 15 100 - 15 - 3.0/329=2, 312=2, 297/3.7=1 HD3 LYS 19 - HE3 LYS 31 OK 14 87 - 16 - 3.0/329=2, 312=2, 297/3.7=1 HD2 LYS 19 - HE3 LYS 31 OK 14 87 - 16 - 3.0/329=2, 301=2, 297/3.7=1 HD2 LYS 19 - HE3 LYS 26 OK 13 87 - 15 - 3.0/329=2, 301=1 HD2 LYS 19 - HE2 LYS 26 OK 13 87 - 15 - 3.0/329=2, 312=1 HD3 LYS 19 - HE2 LYS 26 OK 13 87 - 15 - 3.0/329=2, 301=1 HD3 LYS 19 - HE3 LYS 26 OK 13 87 - 15 - 3.0/329=2, 312=1 HD3 LYS 26 - HE2 LYS 31 OK 12 65 - 19 - 2.9/635=2, 2.9/646=1 HD3 LYS 26 - HE3 LYS 31 poor 10 50 - 19 - 2.9/634=2, 2.9/645=1 HD3 LYS 19 - HE3 LYS 36 lone 8 87 - 9 - 3.0/329=1 HD2 LYS 19 - HE3 LYS 36 lone 8 87 - 9 - 3.0/329=1 HD3 LYS 26 - HE3 LYS 19 poor 7 65 - 11 - 2.9/634=1, 276/3.8=1 HB2 LEU 123 - HE3 LYS 36 lone 6 86 - 7 - 3.2/10705=1, 3922/4.9=1 HB2 LEU 123 - HE3 LYS 19 lone 6 100 - 6 - 3.2/10705=2 HD3 LYS 26 - HE3 LYS 24 poor 6 50 - 11 - 2.9/635=1 HG LEU 43 - HE3 LYS 19 lone 3 87 - 4 - HB2 LEU 123 - HE2 LYS 26 lone 2 86 - 3 - HB2 LEU 123 - HE3 LYS 26 lone 2 86 - 3 - HD3 LYS 26 - HE3 LYS 36 lone 2 50 - 5 - HD2 LYS 95 - HE2 LYS 31 lone 2 92 - 2 - HD2 LYS 95 - HE3 LYS 31 lone 2 75 - 2 - HG LEU 62 - HE3 LYS 19 lone 2 100 - 2 - HB2 LEU 98 - HE3 LYS 19 lone 1 98 - 1 - HD2 LYS 95 - HE2 LYS 26 lone 1 75 - 1 - HD2 LYS 95 - HE3 LYS 26 lone 1 75 - 1 - HB2 LEU 98 - HE2 LYS 26 lone 1 83 - 1 - HB2 LEU 98 - HE3 LYS 26 lone 1 83 - 1 - HD3 LYS 19 - HE3 LYS 86 lone 1 57 - 1 - HD2 LYS 19 - HE3 LYS 86 lone 1 57 - 1 - HB2 LEU 123 - HE3 LYS 24 lone 1 86 - 1 - HB2 LEU 98 - HE2 LYS 31 lone 1 98 - 1 - HD2 LYS 95 - HE3 LYS 24 lone 1 75 - 1 - HB2 LEU 123 - HE2 LYS 31 lone 1 100 - 1 - HG LEU 62 - HE3 LYS 24 lone 1 86 - 1 - HB2 LEU 98 - HE3 LYS 31 lone 1 83 - 1 - HB2 LEU 123 - HE3 LYS 31 lone 1 86 - 1 - HB2 LEU 98 - HE3 LYS 24 lone 1 83 - 1 - HD3 LYS 26 - HE3 LYS 86 lone 1 31 - 2 - HD2 LYS 95 - HE3 LYS 19 lone 0 92 - 0 - HB2 LEU 123 - HE3 LYS 86 lone 0 57 - 1 - HD2 LYS 95 - HE3 LYS 36 lone 0 75 - 0 - HG LEU 62 - HE3 LYS 36 lone 0 86 - 0 - HB2 LEU 98 - HE3 LYS 36 lone 0 83 - 0 - HD2 LYS 95 - HE3 LYS 86 lone 0 48 - 1 - HG LEU 62 - HE2 LYS 26 lone 0 86 - 0 - HG LEU 62 - HE3 LYS 26 lone 0 86 - 0 - HG LEU 62 - HE2 LYS 31 lone 0 100 - 0 - HG LEU 43 - HE2 LYS 31 lone 0 87 - 0 - HB2 LEU 98 - HE3 LYS 86 lone 0 54 - 0 - HG LEU 62 - HE3 LYS 31 lone 0 86 - 0 - HG LEU 43 - HE3 LYS 24 lone 0 70 - 0 - HG LEU 43 - HE3 LYS 26 lone 0 70 - 0 - HG LEU 43 - HE2 LYS 26 lone 0 70 - 0 - HG LEU 43 - HE3 LYS 31 lone 0 70 - 0 - HG LEU 43 - HE3 LYS 36 lone 0 70 - 0 - HG LEU 62 - HE3 LYS 86 lone 0 57 - 0 - HG LEU 43 - HE3 LYS 86 lone 0 44 - 0 - Peak 332 from cnoeabs.peaks (1.65, 2.96, 41.80 ppm; 2.50 A): 2 out of 64 assignments used, quality = 0.95: * HD3 LYS 19 + HE3 LYS 19 OK 78 100 - 78 - 2.9=62, 3.0/329=6...(24) HD2 LYS 19 + HE3 LYS 19 OK 78 100 - 78 - 2.9=62, 3.0/329=6...(24) HD3 LYS 26 - HE2 LYS 26 OK 36 50 - 72 - 3.0=58, 2.9/635=3...(11) HD3 LYS 26 - HE3 LYS 26 OK 36 50 - 72 - 3.0=58, 2.9/635=3...(11) HD3 LYS 19 - HE3 LYS 24 OK 16 87 - 18 - 3.0/329=2, 312=2...(6) HD2 LYS 19 - HE3 LYS 24 OK 16 87 - 18 - 3.0/329=2, 312=2...(6) HD3 LYS 19 - HE2 LYS 31 OK 15 100 - 15 - 3.0/329=2, 301=2, 297/3.7=1 HD2 LYS 19 - HE2 LYS 31 OK 15 100 - 15 - 3.0/329=2, 312=2, 297/3.7=1 HD3 LYS 19 - HE3 LYS 31 OK 14 87 - 16 - 3.0/329=2, 312=2, 297/3.7=1 HD2 LYS 19 - HE3 LYS 31 OK 14 87 - 16 - 3.0/329=2, 301=2, 297/3.7=1 HD2 LYS 19 - HE3 LYS 26 OK 13 87 - 15 - 3.0/329=2, 301=1 HD2 LYS 19 - HE2 LYS 26 OK 13 87 - 15 - 3.0/329=2, 312=1 HD3 LYS 19 - HE2 LYS 26 OK 13 87 - 15 - 3.0/329=2, 301=1 HD3 LYS 19 - HE3 LYS 26 OK 13 87 - 15 - 3.0/329=2, 312=1 HD3 LYS 26 - HE2 LYS 31 OK 12 65 - 19 - 2.9/635=2, 2.9/646=1 HD3 LYS 26 - HE3 LYS 31 poor 10 50 - 19 - 2.9/634=2, 2.9/645=1 HD3 LYS 19 - HE3 LYS 36 lone 8 87 - 9 - 3.0/329=1 HD2 LYS 19 - HE3 LYS 36 lone 8 87 - 9 - 3.0/329=1 HD3 LYS 26 - HE3 LYS 19 poor 7 65 - 11 - 2.9/634=1, 276/3.8=1 HB2 LEU 123 - HE3 LYS 36 lone 6 86 - 7 - 3.2/10705=1, 3922/4.9=1 HB2 LEU 123 - HE3 LYS 19 lone 6 100 - 6 - 3.2/10705=2 HD3 LYS 26 - HE3 LYS 24 poor 6 50 - 11 - 2.9/635=1 HG LEU 43 - HE3 LYS 19 lone 3 87 - 4 - HB2 LEU 123 - HE2 LYS 26 lone 2 86 - 3 - HB2 LEU 123 - HE3 LYS 26 lone 2 86 - 3 - HD3 LYS 26 - HE3 LYS 36 lone 2 50 - 5 - HD2 LYS 95 - HE2 LYS 31 lone 2 92 - 2 - HD2 LYS 95 - HE3 LYS 31 lone 2 75 - 2 - HG LEU 62 - HE3 LYS 19 lone 2 100 - 2 - HB2 LEU 98 - HE3 LYS 19 lone 1 98 - 1 - HD2 LYS 95 - HE2 LYS 26 lone 1 75 - 1 - HD2 LYS 95 - HE3 LYS 26 lone 1 75 - 1 - HB2 LEU 98 - HE2 LYS 26 lone 1 83 - 1 - HB2 LEU 98 - HE3 LYS 26 lone 1 83 - 1 - HD3 LYS 19 - HE3 LYS 86 lone 1 57 - 1 - HD2 LYS 19 - HE3 LYS 86 lone 1 57 - 1 - HB2 LEU 123 - HE3 LYS 24 lone 1 86 - 1 - HB2 LEU 98 - HE2 LYS 31 lone 1 98 - 1 - HD2 LYS 95 - HE3 LYS 24 lone 1 75 - 1 - HB2 LEU 123 - HE2 LYS 31 lone 1 100 - 1 - HG LEU 62 - HE3 LYS 24 lone 1 86 - 1 - HB2 LEU 98 - HE3 LYS 31 lone 1 83 - 1 - HB2 LEU 123 - HE3 LYS 31 lone 1 86 - 1 - HB2 LEU 98 - HE3 LYS 24 lone 1 83 - 1 - HD3 LYS 26 - HE3 LYS 86 lone 1 31 - 2 - HD2 LYS 95 - HE3 LYS 19 lone 0 92 - 0 - HB2 LEU 123 - HE3 LYS 86 lone 0 57 - 1 - HD2 LYS 95 - HE3 LYS 36 lone 0 75 - 0 - HG LEU 62 - HE3 LYS 36 lone 0 86 - 0 - HB2 LEU 98 - HE3 LYS 36 lone 0 83 - 0 - HD2 LYS 95 - HE3 LYS 86 lone 0 48 - 1 - HG LEU 62 - HE2 LYS 26 lone 0 86 - 0 - HG LEU 62 - HE3 LYS 26 lone 0 86 - 0 - HG LEU 62 - HE2 LYS 31 lone 0 100 - 0 - HG LEU 43 - HE2 LYS 31 lone 0 87 - 0 - HB2 LEU 98 - HE3 LYS 86 lone 0 54 - 0 - HG LEU 62 - HE3 LYS 31 lone 0 86 - 0 - HG LEU 43 - HE3 LYS 24 lone 0 70 - 0 - HG LEU 43 - HE3 LYS 26 lone 0 70 - 0 - HG LEU 43 - HE2 LYS 26 lone 0 70 - 0 - HG LEU 43 - HE3 LYS 31 lone 0 70 - 0 - HG LEU 43 - HE3 LYS 36 lone 0 70 - 0 - HG LEU 62 - HE3 LYS 86 lone 0 57 - 0 - HG LEU 43 - HE3 LYS 86 lone 0 44 - 0 - Peak 333 from cnoeabs.peaks (2.96, 2.96, 41.80 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: HE2 LYS 31 + HE2 LYS 31 OK 87 87 - 100 HE3 LYS 19 + HE3 LYS 19 OK 87 87 - 100 HE3 LYS 36 + HE3 LYS 36 OK 83 83 - 100 HE3 LYS 24 + HE3 LYS 24 OK 83 83 - 100 HE3 LYS 86 + HE3 LYS 86 OK 57 57 - 100 HE3 LYS 31 + HE3 LYS 31 OK 50 50 - 100 HE2 LYS 26 + HE2 LYS 26 OK 50 50 - 100 HE3 LYS 26 + HE3 LYS 26 OK 50 50 - 100 Reference assignment not found: HE2 LYS 19 - HE3 LYS 19 Peak 334 from cnoeabs.peaks (2.96, 2.96, 41.80 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: HE2 LYS 31 + HE2 LYS 31 OK 100 100 - 100 * HE3 LYS 19 + HE3 LYS 19 OK 100 100 - 100 HE3 LYS 36 + HE3 LYS 36 OK 83 83 - 100 HE3 LYS 24 + HE3 LYS 24 OK 83 83 - 100 HE3 LYS 31 + HE3 LYS 31 OK 83 83 - 100 HE2 LYS 26 + HE2 LYS 26 OK 83 83 - 100 HE3 LYS 26 + HE3 LYS 26 OK 83 83 - 100 HE3 LYS 86 + HE3 LYS 86 OK 48 48 - 100 Peak 336 from cnoeabs.peaks (8.06, 3.99, 62.40 ppm; 3.38 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 20 + HA VAL 20 OK 100 100 - 100 - 3.0=100 Peak 337 from cnoeabs.peaks (3.99, 3.99, 62.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 20 + HA VAL 20 OK 100 100 - 100 Peak 338 from cnoeabs.peaks (2.00, 3.99, 62.40 ppm; 3.65 A): 1 out of 9 assignments used, quality = 1.00: * HB VAL 20 + HA VAL 20 OK 100 100 - 100 - 3.0=100 HB3 LEU 53 - HA VAL 20 OK 16 73 - 21 - 3.1/10710=5, 4.0/6657=2...(10) HB3 PRO 56 - HA VAL 20 lone 8 100 - 8 - 356/3.2=1, 350/3.2=1, 6170/3.0=1 HB ILE 129 - HA VAL 20 lone 7 100 - 6 - 6170/3.0=1, 6177/3.6=1 HG2 PRO 81 - HA VAL 20 lone 6 98 - 6 - HG2 PRO 56 - HA VAL 20 lone 5 87 - 6 - HG3 PRO 56 - HA VAL 20 lone 5 87 - 6 - HB3 PRO 117 - HA VAL 20 lone 4 81 - 5 - 11528/10270=1 HB2 GLU 91 - HA VAL 20 lone 3 81 - 4 - Peak 339 from cnoeabs.peaks (0.91, 3.99, 62.40 ppm; 3.05 A): 1 out of 6 assignments used, quality = 0.95: * QG1 VAL 20 + HA VAL 20 OK 95 100 - 95 - 3.2=87, 348/3.0=23...(10) QD1 LEU 49 - HA VAL 20 OK 23 92 - 25 - 2.1/10710=7, 2.1/10708=4...(7) QD2 LEU 48 - HA VAL 20 OK 15 100 - 15 - 6178/3.6=4, 6171/3.0=2...(4) QG2 VAL 63 - HA VAL 20 OK 13 98 - 13 - 2.1/11019=4, 6171/3.0=2...(4) QG1 VAL 118 - HA VAL 20 OK 11 73 - 14 - 2.1/10270=7, 6171/3.0=1...(4) QD1 LEU 62 - HA VAL 20 lone 5 87 - 5 - Peak 340 from cnoeabs.peaks (0.89, 3.99, 62.40 ppm; 3.11 A): 1 out of 4 assignments used, quality = 0.97: * QG2 VAL 20 + HA VAL 20 OK 97 100 - 97 - 3.2=92, 2.1/349=23...(11) QD2 LEU 123 - HA VAL 20 OK 27 81 - 34 - 2.1/11772=7, 3.2/10707=6...(11) QD1 LEU 22 - HA VAL 20 OK 20 98 - 21 - 4.9/10724=7, 6179/3.6=3...(9) QG1 VAL 118 - HA VAL 20 OK 12 73 - 16 - 2.1/10270=7, 6172/3.0=2...(5) Peak 341 from cnoeabs.peaks (8.31, 3.99, 62.40 ppm; 2.94 A): 2 out of 5 assignments used, quality = 0.84: * H ALA 21 + HA VAL 20 OK 79 100 - 79 - 3.6=56, 6173/3.0=17...(7) H LEU 49 + HA VAL 20 OK 22 92 - 24 - 353/3.2=4, 6173/3.0=3...(8) H ALA 110 - HA VAL 20 lone 7 81 - 9 - 347/3.0=2, 353/3.2=2...(5) H LEU 69 - HA VAL 20 poor 7 65 - 11 - 4.4/2132=1, 4.4/2142=1...(4) H GLY 111 - HA VAL 20 lone 5 92 - 5 - 353/3.2=1 Peak 342 from cnoeabs.peaks (8.06, 2.00, 32.56 ppm; 3.17 A): 1 out of 1 assignment used, quality = 0.84: * H VAL 20 + HB VAL 20 OK 84 100 - 84 - 4.0=51, 348/2.1=31...(8) Peak 343 from cnoeabs.peaks (3.99, 2.00, 32.56 ppm; 3.43 A): 1 out of 5 assignments used, quality = 1.00: * HA VAL 20 + HB VAL 20 OK 100 100 - 100 - 3.0=100 HA SER 50 - HB VAL 20 OK 14 87 - 16 - 349/2.1=3, 355/2.1=3...(7) HA GLN 68 - HB VAL 20 OK 12 98 - 12 - 349/2.1=3, 355/2.1=3...(6) HB2 SER 124 - HB VAL 20 OK 12 92 - 13 - 355/2.1=3, 349/2.1=3...(5) HB3 SER 51 - HB VAL 20 lone 5 65 - 8 - ~10961=3, 349/2.1=2, 355/2.1=1 Peak 344 from cnoeabs.peaks (2.00, 2.00, 32.56 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB VAL 20 + HB VAL 20 OK 100 100 - 100 Peak 345 from cnoeabs.peaks (0.91, 2.00, 32.56 ppm; 2.77 A): 1 out of 6 assignments used, quality = 1.00: * QG1 VAL 20 + HB VAL 20 OK 100 100 - 100 - 2.1=100 QD1 LEU 49 - HB VAL 20 OK 16 92 - 17 - 357/2.1=3, 339/3.0=3...(8) QD2 LEU 48 - HB VAL 20 OK 10 100 - 10 - 6178/4.5=2, 357/2.1=2...(4) QG2 VAL 63 - HB VAL 20 lone 10 98 - 10 - ~11019=2, 357/2.1=2...(4) QG1 VAL 118 - HB VAL 20 lone 7 73 - 9 - ~10270=2, 357/2.1=2, 339/3.0=1 QD1 LEU 62 - HB VAL 20 lone 3 87 - 3 - Peak 346 from cnoeabs.peaks (0.89, 2.00, 32.56 ppm; 2.78 A): 1 out of 4 assignments used, quality = 1.00: * QG2 VAL 20 + HB VAL 20 OK 100 100 - 100 - 2.1=100 QD2 LEU 123 - HB VAL 20 OK 17 81 - 21 - 352/2.1=4, 340/3.0=3...(10) QD1 LEU 22 - HB VAL 20 OK 15 98 - 15 - 4.9/10719=3, 352/2.1=3...(9) QG1 VAL 118 - HB VAL 20 poor 7 73 - 10 - ~10270=2, 352/2.1=2, 340/3.0=2 Peak 347 from cnoeabs.peaks (8.31, 2.00, 32.56 ppm; 3.69 A): 3 out of 5 assignments used, quality = 0.91: * H ALA 21 + HB VAL 20 OK 87 100 - 87 - 4.5=53, 6176/3.0=30...(7) H LEU 49 + HB VAL 20 OK 26 92 - 28 - 353/2.1=8, 341/3.0=6...(8) H ALA 110 + HB VAL 20 OK 13 81 - 16 - ~10714=4, 353/2.1=3...(6) H GLY 111 - HB VAL 20 lone 7 92 - 7 - 353/2.1=3, 359/2.1=1...(4) H LEU 69 - HB VAL 20 lone 6 65 - 9 - 3.6/343=2, 341/3.0=2...(5) Peak 348 from cnoeabs.peaks (8.06, 0.91, 20.62 ppm; 3.18 A): 1 out of 1 assignment used, quality = 0.85: * H VAL 20 + QG1 VAL 20 OK 85 100 - 85 - 4.0=49, 342/2.1=32...(8) Peak 349 from cnoeabs.peaks (3.99, 0.91, 20.62 ppm; 3.08 A): 1 out of 5 assignments used, quality = 0.96: * HA VAL 20 + QG1 VAL 20 OK 96 100 - 96 - 3.2=89, 3.0/348=24...(10) HA SER 50 - QG1 VAL 20 OK 13 87 - 15 - 343/2.1=3, 355/2.1=2...(6) HA GLN 68 - QG1 VAL 20 OK 10 98 - 10 - 355/2.1=2, 343/2.1=2, 6169/4.0=1 HB2 SER 124 - QG1 VAL 20 poor 10 92 - 11 - 355/2.1=3, 343/2.1=2, ~11587=2 HB3 SER 51 - QG1 VAL 20 lone 6 65 - 9 - 1.8/10961=4, 4.6/9227=2 Peak 350 from cnoeabs.peaks (2.00, 0.91, 20.62 ppm; 2.67 A): 1 out of 9 assignments used, quality = 1.00: * HB VAL 20 + QG1 VAL 20 OK 100 100 - 100 - 2.1=100 HB3 LEU 53 - QG1 VAL 20 poor 7 73 - 10 - 3.0/11727=2, 356/2.1=2 HB3 PRO 56 - QG1 VAL 20 lone 4 100 - 4 - 356/2.1=1 HB ILE 129 - QG1 VAL 20 lone 3 100 - 3 - HG2 PRO 81 - QG1 VAL 20 lone 3 98 - 3 - HG2 PRO 56 - QG1 VAL 20 lone 3 87 - 3 - HG3 PRO 56 - QG1 VAL 20 lone 3 87 - 3 - HB3 PRO 117 - QG1 VAL 20 lone 2 81 - 3 - HB2 GLU 91 - QG1 VAL 20 lone 1 81 - 2 - Peak 351 from cnoeabs.peaks (0.91, 0.91, 20.62 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 20 + QG1 VAL 20 OK 100 100 - 100 Peak 352 from cnoeabs.peaks (0.89, 0.91, 20.62 ppm; 2.50 A): 1 out of 4 assignments used, quality = 1.00: * QG2 VAL 20 + QG1 VAL 20 OK 100 100 - 100 - 2.1=100 QD2 LEU 123 - QG1 VAL 20 OK 15 81 - 18 - 346/2.1=3, 340/3.2=2...(9) QD1 LEU 22 - QG1 VAL 20 OK 10 98 - 11 - 346/2.1=3, 340/3.2=2...(5) QG1 VAL 118 - QG1 VAL 20 poor 7 73 - 10 - ~10270=2, 346/2.1=1...(4) Peak 353 from cnoeabs.peaks (8.31, 0.91, 20.62 ppm; 3.65 A): 4 out of 5 assignments used, quality = 0.95: * H ALA 21 + QG1 VAL 20 OK 88 100 - 88 - 4.3=59, 6176/3.2=28...(6) H LEU 49 + QG1 VAL 20 OK 38 92 - 42 - 6601=7, 347/2.1=6...(16) H ALA 110 + QG1 VAL 20 OK 15 81 - 18 - 2.9/10714=9, 347/2.1=3...(5) H GLY 111 + QG1 VAL 20 OK 12 92 - 13 - 3.7/10714=7, 347/2.1=2...(5) H LEU 69 - QG1 VAL 20 lone 6 65 - 10 - 3.6/349=2, 341/3.2=2...(4) Peak 354 from cnoeabs.peaks (8.06, 0.89, 21.05 ppm; 3.62 A): 1 out of 1 assignment used, quality = 0.95: * H VAL 20 + QG2 VAL 20 OK 95 100 - 95 - 4.0=72, 348/2.1=39...(8) Peak 355 from cnoeabs.peaks (3.99, 0.89, 21.05 ppm; 3.22 A): 1 out of 5 assignments used, quality = 1.00: * HA VAL 20 + QG2 VAL 20 OK 100 100 - 100 - 3.2=100 HB2 SER 124 - QG2 VAL 20 OK 13 92 - 14 - 3.0/11587=3, 343/2.1=2...(4) HA SER 50 - QG2 VAL 20 OK 12 87 - 13 - 349/2.1=3, 343/2.1=3...(5) HA GLN 68 - QG2 VAL 20 OK 11 98 - 11 - 349/2.1=3, 343/2.1=3, 6169/4.0=1 HB3 SER 51 - QG2 VAL 20 lone 5 65 - 8 - ~10961=3, 349/2.1=2, 343/2.1=1 Peak 356 from cnoeabs.peaks (2.00, 0.89, 21.05 ppm; 2.90 A): 1 out of 9 assignments used, quality = 1.00: * HB VAL 20 + QG2 VAL 20 OK 100 100 - 100 - 2.1=100 HB3 LEU 53 - QG2 VAL 20 poor 8 73 - 11 - 350/2.1=2, 338/3.2=2...(4) HB3 PRO 56 - QG2 VAL 20 lone 5 100 - 5 - 350/2.1=1 HB ILE 129 - QG2 VAL 20 lone 4 100 - 4 - HG2 PRO 81 - QG2 VAL 20 lone 4 98 - 4 - HG2 PRO 56 - QG2 VAL 20 lone 4 87 - 4 - HG3 PRO 56 - QG2 VAL 20 lone 4 87 - 4 - HB3 PRO 117 - QG2 VAL 20 lone 3 81 - 3 - HB2 GLU 91 - QG2 VAL 20 lone 2 81 - 2 - Peak 357 from cnoeabs.peaks (0.91, 0.89, 21.05 ppm; 2.50 A): 1 out of 6 assignments used, quality = 1.00: * QG1 VAL 20 + QG2 VAL 20 OK 100 100 - 100 - 2.1=100 QD1 LEU 49 - QG2 VAL 20 OK 12 92 - 13 - 345/2.1=3, 339/3.2=2...(7) QD2 LEU 48 - QG2 VAL 20 lone 8 100 - 8 - 345/2.1=2, 6178/4.3=2, 339/3.2=1 QG2 VAL 63 - QG2 VAL 20 lone 8 98 - 8 - 345/2.1=2, ~11019=1, 339/3.2=1 QG1 VAL 118 - QG2 VAL 20 lone 7 73 - 9 - ~10270=2, 345/2.1=1, 2.1/3751=1 QD1 LEU 62 - QG2 VAL 20 lone 2 87 - 2 - Peak 358 from cnoeabs.peaks (0.89, 0.89, 21.05 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 20 + QG2 VAL 20 OK 100 100 - 100 Peak 359 from cnoeabs.peaks (8.31, 0.89, 21.05 ppm; 4.57 A): 1 out of 5 assignments used, quality = 1.00: * H ALA 21 + QG2 VAL 20 OK 100 100 - 100 - 4.3=100 H LEU 49 - QG2 VAL 20 OK 37 92 - 40 - 353/2.1=11, 347/2.1=8...(9) H ALA 110 - QG2 VAL 20 OK 20 81 - 24 - ~10714=7, 347/2.1=4...(6) H GLY 111 - QG2 VAL 20 poor 10 92 - 10 - 353/2.1=4, 347/2.1=2...(4) H LEU 69 - QG2 VAL 20 poor 9 65 - 13 - 3.6/355=3, 341/3.2=3...(5) Peak 360 from cnoeabs.peaks (8.31, 4.29, 52.41 ppm; 2.50 A): 1 out of 15 assignments used, quality = 0.73: * H ALA 21 + HA ALA 21 OK 73 100 - 73 - 3.0=61, 6181/2.1=21...(4) H LEU 49 - HA ALA 21 lone 5 92 - 5 - 4.7/11771=1...(3) H GLY 111 - HA ALA 21 lone 3 92 - 3 - H ALA 110 - HA ALA 21 lone 2 81 - 3 - H ALA 21 - HA ALA 15 lone 1 29 - 4 - H LEU 69 - HA ALA 21 lone 1 65 - 1 - H ALA 21 - HA ALA 12 lone 1 56 - 1 - H ALA 110 - HA ALA 15 lone 1 19 - 3 - 3537/2.1=1 H GLY 111 - HA ALA 15 lone 1 24 - 2 - H GLY 111 - HA ALA 12 lone 0 47 - 0 - H ALA 110 - HA ALA 12 lone 0 39 - 0 - H LEU 49 - HA ALA 12 lone 0 47 - 0 - H LEU 49 - HA ALA 15 lone 0 24 - 1 - H LEU 69 - HA ALA 15 lone 0 15 - 0 - H LEU 69 - HA ALA 12 lone 0 30 - 0 - Peak 361 from cnoeabs.peaks (4.29, 4.29, 52.41 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * HA ALA 21 + HA ALA 21 OK 100 100 - 100 HA ALA 12 + HA ALA 12 OK 47 47 - 100 HA ALA 15 - HA ALA 15 OK 24 24 - 100 Peak 362 from cnoeabs.peaks (1.34, 4.29, 52.41 ppm; 2.50 A): 1 out of 6 assignments used, quality = 1.00: * QB ALA 21 + HA ALA 21 OK 100 100 - 100 - 2.1=100 QB ALA 46 - HA ALA 21 lone 4 100 - 4 - 6181/3.0=1 QB ALA 21 - HA ALA 15 lone 1 29 - 5 - 365=2 QB ALA 21 - HA ALA 12 lone 1 56 - 2 - QB ALA 46 - HA ALA 12 lone 0 56 - 0 - QB ALA 46 - HA ALA 15 lone 0 29 - 0 - Peak 363 from cnoeabs.peaks (8.15, 4.29, 52.41 ppm; 2.58 A): 2 out of 12 assignments used, quality = 0.64: * H LEU 22 + HA ALA 21 OK 58 100 - 58 - 3.6=38, 6186/2.1=21, 6184/3.0=13 H ALA 15 + HA ALA 15 OK 15 22 - 69 - 3.0=67, 6122/3.6=4, 4.6/11760=2 H ALA 15 - HA ALA 21 lone 3 87 - 3 - 367/2.1=1 H LEU 22 - HA ALA 15 lone 2 29 - 5 - 6185=2 H VAL 133 - HA ALA 21 lone 1 98 - 1 - H ALA 15 - HA ALA 12 lone 1 43 - 2 - 4.6/11760=2 H LEU 22 - HA ALA 12 lone 1 56 - 1 - H VAL 133 - HA ALA 15 lone 1 27 - 3 - 6122/3.6=1 H ILE 32 - HA ALA 21 lone 0 73 - 1 - H ILE 32 - HA ALA 15 lone 0 17 - 2 - H ILE 32 - HA ALA 12 lone 0 34 - 1 - H VAL 133 - HA ALA 12 lone 0 53 - 0 - Peak 364 from cnoeabs.peaks (8.31, 1.34, 18.98 ppm; 2.97 A): 1 out of 5 assignments used, quality = 1.00: * H ALA 21 + QB ALA 21 OK 100 100 - 100 - 2.9=100 H LEU 49 - QB ALA 21 lone 5 92 - 6 - 360/2.1=2, 341/10709=1 H ALA 110 - QB ALA 21 lone 3 81 - 3 - H GLY 111 - QB ALA 21 lone 3 92 - 3 - 360/2.1=1 H LEU 69 - QB ALA 21 lone 2 65 - 3 - 4.9/11060=1 Peak 365 from cnoeabs.peaks (4.29, 1.34, 18.98 ppm; 2.50 A): 1 out of 9 assignments used, quality = 1.00: * HA ALA 21 + QB ALA 21 OK 100 100 - 100 - 2.1=100 HA ARG 23 - QB ALA 21 OK 13 96 - 13 - 2.9/10726=7, 6185/3.7=4 HA ALA 15 - QB ALA 21 lone 4 92 - 4 - HA ALA 110 - QB ALA 21 lone 2 87 - 2 - HA ALA 12 - QB ALA 21 lone 1 92 - 1 - HA THR 18 - QB ALA 21 lone 1 99 - 1 - HA THR 25 - QB ALA 21 lone 1 100 - 1 - HA GLN 61 - QB ALA 21 lone 0 65 - 1 - HA SER 74 - QB ALA 21 lone 0 100 - 0 - Peak 366 from cnoeabs.peaks (1.34, 1.34, 18.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 21 + QB ALA 21 OK 100 100 - 100 Peak 367 from cnoeabs.peaks (8.15, 1.34, 18.98 ppm; 3.20 A): 1 out of 4 assignments used, quality = 0.82: * H LEU 22 + QB ALA 21 OK 82 100 - 82 - 3.7=64, 363/2.1=28...(5) H ALA 15 - QB ALA 21 lone 5 87 - 6 - 363/2.1=2, 6182/2.9=1, 3.0/365=1 H VAL 133 - QB ALA 21 lone 2 98 - 2 - H ILE 32 - QB ALA 21 lone 1 73 - 1 - Peak 368 from cnoeabs.peaks (8.15, 4.28, 55.17 ppm; 3.36 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 22 + HA LEU 22 OK 100 100 - 100 - 2.9=100 H VAL 133 - HA LEU 22 OK 31 98 - 32 - 384/2.9=6, 376/2.9=6...(8) H ALA 15 - HA LEU 22 OK 15 87 - 17 - 6195/3.6=3, 384/2.9=3...(7) H ILE 32 - HA LEU 22 lone 6 73 - 8 - 6195/3.6=1 Peak 369 from cnoeabs.peaks (4.28, 4.28, 55.17 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 22 + HA LEU 22 OK 100 100 - 100 Peak 370 from cnoeabs.peaks (1.54, 4.28, 55.17 ppm; 3.03 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LEU 22 + HA LEU 22 OK 100 100 - 100 - 2.9=100 HB2 LEU 119 + HA LEU 22 OK 50 100 - 50 - 386/2.9=9, 6188/2.9=6...(20) HB3 LEU 42 - HA LEU 22 OK 18 100 - 17 - 386/2.9=2, 6188/2.9=2...(11) Peak 371 from cnoeabs.peaks (1.62, 4.28, 55.17 ppm; 3.07 A): 2 out of 6 assignments used, quality = 1.00: * HB3 LEU 22 + HA LEU 22 OK 100 100 - 100 - 2.9=100 HG LEU 22 + HA LEU 22 OK 87 100 - 87 - 4.3=37, 2.1/373=24...(22) HG LEU 119 - HA LEU 22 OK 37 92 - 40 - 2.9/370=7, 3783/2.9=7...(16) HG3 ARG 23 - HA LEU 22 OK 15 65 - 23 - 5.0/375=10, 3783/2.9=2...(7) HG LEU 70 - HA LEU 22 lone 3 92 - 3 - HB2 LEU 122 - HA LEU 22 lone 1 73 - 2 - Peak 372 from cnoeabs.peaks (1.62, 4.28, 55.17 ppm; 3.08 A): 2 out of 6 assignments used, quality = 1.00: HB3 LEU 22 + HA LEU 22 OK 100 100 - 100 - 2.9=100 * HG LEU 22 + HA LEU 22 OK 87 100 - 87 - 4.3=37, 2.1/373=24...(22) HG LEU 119 - HA LEU 22 OK 37 92 - 40 - 2.9/370=7, 3783/2.9=7...(16) HG3 ARG 23 - HA LEU 22 OK 15 65 - 23 - 5.0/375=10, 3783/2.9=2...(7) HG LEU 70 - HA LEU 22 lone 3 92 - 3 - HB2 LEU 122 - HA LEU 22 lone 1 73 - 2 - Peak 373 from cnoeabs.peaks (0.84, 4.28, 55.17 ppm; 3.05 A): 2 out of 2 assignments used, quality = 0.91: * QD2 LEU 22 + HA LEU 22 OK 87 100 - 87 - 3.9=46, 2.1/374=17...(22) QG1 VAL 133 + HA LEU 22 OK 28 92 - 30 - 381/2.9=6, 389/2.9=6...(10) Peak 374 from cnoeabs.peaks (0.89, 4.28, 55.17 ppm; 3.44 A): 1 out of 3 assignments used, quality = 0.95: * QD1 LEU 22 + HA LEU 22 OK 95 100 - 95 - 4.0=63, 2.1/373=29...(22) QG2 VAL 20 - HA LEU 22 OK 33 98 - 33 - 6192/2.9=8, ~10724=6...(8) QG1 VAL 118 - HA LEU 22 OK 24 92 - 26 - 390/2.9=6, 382/2.9=5...(7) Peak 375 from cnoeabs.peaks (8.24, 4.28, 55.17 ppm; 2.55 A): 2 out of 2 assignments used, quality = 0.70: * H ARG 23 + HA LEU 22 OK 66 100 - 66 - 3.6=37, 6193/2.9=14...(8) H ALA 29 + HA LEU 22 OK 12 98 - 12 - 6193/2.9=3, 391/2.9=3...(5) Peak 376 from cnoeabs.peaks (8.15, 1.54, 42.22 ppm; 3.62 A): 2 out of 4 assignments used, quality = 0.97: * H LEU 22 + HB2 LEU 22 OK 94 100 - 94 - 4.0=72, 6187/2.9=25...(14) H VAL 133 + HB2 LEU 22 OK 41 98 - 42 - 384/1.8=9, 7934/3.1=9...(9) H ALA 15 - HB2 LEU 22 OK 18 87 - 21 - 384/1.8=4, 368/2.9=3...(7) H ILE 32 - HB2 LEU 22 lone 6 73 - 8 - 384/1.8=1, 368/2.9=1, 392/3.0=1 Peak 377 from cnoeabs.peaks (4.28, 1.54, 42.22 ppm; 3.56 A): 2 out of 14 assignments used, quality = 1.00: * HA LEU 22 + HB2 LEU 22 OK 100 100 - 100 - 2.9=100 HA ARG 23 + HB2 LEU 22 OK 49 65 - 75 - 2.9/6197=22, ~391=11...(22) HA GLN 61 - HB2 LEU 22 OK 21 96 - 22 - 9379/3.1=11, 385/1.8=3...(5) HA LYS 36 - HB2 LEU 22 OK 15 99 - 15 - ~10899=5, 385/1.8=2...(5) HA ALA 15 - HB2 LEU 22 OK 13 73 - 17 - 3.0/376=3, 385/1.8=2...(10) HA LYS 31 - HB2 LEU 22 lone 7 100 - 7 - 385/1.8=1 HB THR 115 - HB2 LEU 22 lone 4 98 - 4 - HA LYS 26 - HB2 LEU 22 lone 3 73 - 4 - 6196/4.6=1 HA ALA 16 - HB2 LEU 22 lone 3 100 - 3 - HA ALA 109 - HB2 LEU 22 lone 2 100 - 2 - HA ALA 108 - HB2 LEU 22 lone 2 100 - 2 - HA ALA 110 - HB2 LEU 22 lone 2 81 - 2 - HA ALA 12 - HB2 LEU 22 lone 1 73 - 1 - HA LYS 19 - HB2 LEU 22 lone 1 57 - 1 - Peak 378 from cnoeabs.peaks (1.54, 1.54, 42.22 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 22 + HB2 LEU 22 OK 100 100 - 100 Peak 379 from cnoeabs.peaks (1.62, 1.54, 42.22 ppm; 2.50 A): 2 out of 6 assignments used, quality = 1.00: * HB3 LEU 22 + HB2 LEU 22 OK 100 100 - 100 - 1.8=100 HG LEU 22 + HB2 LEU 22 OK 82 100 - 82 - 3.0=59, 2.1/402=13...(16) HG LEU 119 - HB2 LEU 22 OK 43 92 - 47 - 3783=12, 2.1/3799=7...(20) HG3 ARG 23 - HB2 LEU 22 OK 11 65 - 17 - 5.0/6197=4, 3783=3...(6) HG LEU 70 - HB2 LEU 22 lone 2 92 - 2 - HB2 LEU 122 - HB2 LEU 22 lone 2 73 - 2 - Peak 380 from cnoeabs.peaks (1.62, 1.54, 42.22 ppm; 2.50 A): 2 out of 6 assignments used, quality = 1.00: HB3 LEU 22 + HB2 LEU 22 OK 100 100 - 100 - 1.8=100 * HG LEU 22 + HB2 LEU 22 OK 82 100 - 82 - 3.0=59, 2.1/402=13...(16) HG LEU 119 - HB2 LEU 22 OK 43 92 - 47 - 3783=12, 2.1/3799=7...(20) HG3 ARG 23 - HB2 LEU 22 OK 11 65 - 17 - 5.0/6197=4, 3783=3...(6) HG LEU 70 - HB2 LEU 22 lone 2 92 - 2 - HB2 LEU 122 - HB2 LEU 22 lone 2 73 - 2 - Peak 381 from cnoeabs.peaks (0.84, 1.54, 42.22 ppm; 3.70 A): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 22 + HB2 LEU 22 OK 100 100 - 100 - 3.1=100 QG1 VAL 133 - HB2 LEU 22 OK 44 92 - 48 - 389/1.8=11, 373/2.9=8...(11) Peak 382 from cnoeabs.peaks (0.89, 1.54, 42.22 ppm; 3.48 A): 1 out of 3 assignments used, quality = 1.00: * QD1 LEU 22 + HB2 LEU 22 OK 100 100 - 100 - 3.1=100 QG1 VAL 118 - HB2 LEU 22 OK 33 92 - 36 - 390/1.8=8, 4.1/7652=6...(11) QG2 VAL 20 - HB2 LEU 22 OK 29 98 - 30 - 390/1.8=6, 374/2.9=6...(9) Peak 383 from cnoeabs.peaks (8.24, 1.54, 42.22 ppm; 4.16 A): 1 out of 2 assignments used, quality = 0.97: * H ARG 23 + HB2 LEU 22 OK 97 100 - 97 - 4.6=72, 375/2.9=37...(17) H ALA 29 - HB2 LEU 22 OK 34 98 - 35 - 391/1.8=10, 399/3.0=8...(6) Peak 384 from cnoeabs.peaks (8.15, 1.62, 42.22 ppm; 3.55 A): 2 out of 4 assignments used, quality = 0.96: * H LEU 22 + HB3 LEU 22 OK 94 100 - 94 - 4.0=68, 6188/1.8=28...(14) H VAL 133 + HB3 LEU 22 OK 39 98 - 40 - 376/1.8=9, 7934/3.1=8...(9) H ALA 15 - HB3 LEU 22 OK 18 87 - 20 - 376/1.8=4, 368/2.9=3...(7) H ILE 32 - HB3 LEU 22 lone 6 73 - 8 - 376/1.8=1, 368/2.9=1 Peak 385 from cnoeabs.peaks (4.28, 1.62, 42.22 ppm; 3.44 A): 2 out of 14 assignments used, quality = 1.00: * HA LEU 22 + HB3 LEU 22 OK 100 100 - 100 - 2.9=100 HA ARG 23 + HB3 LEU 22 OK 48 65 - 73 - 2.9/391=16, ~6197=12...(26) HA GLN 61 - HB3 LEU 22 OK 19 96 - 20 - 9379/3.1=10, 377/1.8=3...(5) HA LYS 36 - HB3 LEU 22 OK 14 99 - 14 - ~10899=5, 377/1.8=2...(5) HA ALA 15 - HB3 LEU 22 OK 12 73 - 16 - 3.0/384=3, 377/1.8=2...(9) HA LYS 31 - HB3 LEU 22 lone 7 100 - 6 - 377/1.8=1 HB THR 115 - HB3 LEU 22 lone 4 98 - 4 - HA LYS 26 - HB3 LEU 22 lone 3 73 - 4 - 6196/4.6=1 HA ALA 16 - HB3 LEU 22 lone 3 100 - 3 - HA ALA 109 - HB3 LEU 22 lone 2 100 - 2 - HA ALA 110 - HB3 LEU 22 lone 2 81 - 2 - HA ALA 108 - HB3 LEU 22 lone 2 100 - 2 - HA ALA 12 - HB3 LEU 22 lone 1 73 - 2 - HA LYS 19 - HB3 LEU 22 lone 1 57 - 1 - Peak 386 from cnoeabs.peaks (1.54, 1.62, 42.22 ppm; 2.50 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LEU 22 + HB3 LEU 22 OK 100 100 - 100 - 1.8=100 HB2 LEU 119 + HB3 LEU 22 OK 52 100 - 52 - 394/3.0=7, 402/3.1=5...(23) HB3 LEU 42 - HB3 LEU 22 OK 14 100 - 14 - 370/2.9=2, 394/3.0=2...(9) Peak 387 from cnoeabs.peaks (1.62, 1.62, 42.22 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 22 + HB3 LEU 22 OK 100 100 - 100 Peak 388 from cnoeabs.peaks (1.62, 1.62, 42.22 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: HB3 LEU 22 + HB3 LEU 22 OK 100 100 - 100 Reference assignment not found: HG LEU 22 - HB3 LEU 22 Peak 389 from cnoeabs.peaks (0.84, 1.62, 42.22 ppm; 3.82 A): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 22 + HB3 LEU 22 OK 100 100 - 100 - 3.1=100 QG1 VAL 133 - HB3 LEU 22 OK 45 92 - 48 - 381/1.8=12, 373/2.9=9...(10) Peak 390 from cnoeabs.peaks (0.89, 1.62, 42.22 ppm; 3.46 A): 1 out of 3 assignments used, quality = 1.00: * QD1 LEU 22 + HB3 LEU 22 OK 100 100 - 100 - 3.1=100 QG1 VAL 118 - HB3 LEU 22 OK 36 92 - 39 - 382/1.8=7, 398/3.0=6...(13) QG2 VAL 20 - HB3 LEU 22 OK 29 98 - 30 - 382/1.8=6, 374/2.9=6...(9) Peak 391 from cnoeabs.peaks (8.24, 1.62, 42.22 ppm; 4.13 A): 1 out of 2 assignments used, quality = 0.97: * H ARG 23 + HB3 LEU 22 OK 97 100 - 97 - 4.6=71, 375/2.9=37...(18) H ALA 29 - HB3 LEU 22 OK 34 98 - 34 - 383/1.8=10, 399/3.0=8...(5) Peak 392 from cnoeabs.peaks (8.15, 1.62, 26.78 ppm; 3.79 A): 3 out of 4 assignments used, quality = 0.95: * H LEU 22 + HG LEU 22 OK 89 100 - 89 - 5.1=40, 6188/3.0=24...(12) H VAL 133 + HG LEU 22 OK 42 98 - 43 - 7934/2.1=12, 376/3.0=8...(9) H ALA 15 + HG LEU 22 OK 18 87 - 20 - 384/3.0=3, 376/3.0=3...(7) H ILE 32 - HG LEU 22 lone 6 73 - 8 - 376/3.0=1, 384/3.0=1...(4) Peak 393 from cnoeabs.peaks (4.28, 1.62, 26.78 ppm; 3.75 A): 2 out of 14 assignments used, quality = 0.99: * HA LEU 22 + HG LEU 22 OK 97 100 - 97 - 4.3=68, 373/2.1=32...(22) HA ARG 23 + HG LEU 22 OK 49 65 - 74 - 2.9/399=19, ~6200=11...(20) HA GLN 61 - HG LEU 22 OK 23 96 - 24 - 9379/2.1=14, 401/2.1=4...(4) HA LYS 36 - HG LEU 22 OK 18 99 - 18 - ~10899=8, 401/2.1=3...(5) HA ALA 15 - HG LEU 22 OK 12 73 - 17 - 3.0/392=3, 401/2.1=2...(9) HA LYS 31 - HG LEU 22 lone 7 100 - 7 - 401/2.1=1 HB THR 115 - HG LEU 22 lone 4 98 - 4 - HA ALA 16 - HG LEU 22 lone 3 100 - 2 - HA ALA 109 - HG LEU 22 lone 2 100 - 2 - HA LYS 26 - HG LEU 22 lone 2 73 - 3 - HA ALA 108 - HG LEU 22 lone 2 100 - 2 - HA ALA 110 - HG LEU 22 lone 2 81 - 2 - HA ALA 12 - HG LEU 22 lone 1 73 - 2 - HA LYS 19 - HG LEU 22 lone 1 57 - 1 - Peak 394 from cnoeabs.peaks (1.54, 1.62, 26.78 ppm; 2.50 A): 3 out of 3 assignments used, quality = 0.92: * HB2 LEU 22 + HG LEU 22 OK 82 100 - 82 - 3.0=59, 402/2.1=13...(17) HB2 LEU 119 + HG LEU 22 OK 49 100 - 49 - 402/2.1=8, 410/2.1=7...(20) HB3 LEU 42 + HG LEU 22 OK 12 100 - 12 - 402/2.1=2, 410/2.1=2...(4) Peak 395 from cnoeabs.peaks (1.62, 1.62, 26.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: HG LEU 22 + HG LEU 22 OK 100 100 - 100 Reference assignment not found: HB3 LEU 22 - HG LEU 22 Peak 396 from cnoeabs.peaks (1.62, 1.62, 26.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 22 + HG LEU 22 OK 100 100 - 100 Peak 397 from cnoeabs.peaks (0.84, 1.62, 26.78 ppm; 3.14 A): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 22 + HG LEU 22 OK 100 100 - 100 - 2.1=100 QG1 VAL 133 - HG LEU 22 OK 31 92 - 34 - 413/2.1=7, 381/3.0=6...(10) Peak 398 from cnoeabs.peaks (0.89, 1.62, 26.78 ppm; 3.22 A): 1 out of 3 assignments used, quality = 1.00: * QD1 LEU 22 + HG LEU 22 OK 100 100 - 100 - 2.1=100 QG1 VAL 118 - HG LEU 22 OK 31 92 - 34 - 390/3.0=5, 406/2.1=5...(12) QG2 VAL 20 - HG LEU 22 OK 23 98 - 23 - 406/2.1=4, 382/3.0=4...(9) Peak 399 from cnoeabs.peaks (8.24, 1.62, 26.78 ppm; 4.18 A): 2 out of 2 assignments used, quality = 0.93: * H ARG 23 + HG LEU 22 OK 90 100 - 90 - 6197/3.0=28, 375/4.3=27...(17) H ALA 29 + HG LEU 22 OK 31 98 - 31 - 407/2.1=8, 383/3.0=8...(5) Peak 400 from cnoeabs.peaks (8.15, 0.84, 23.38 ppm; 4.75 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 22 + QD2 LEU 22 OK 99 100 - 99 - 4.9=90, 2.9/373=35...(12) H VAL 133 + QD2 LEU 22 OK 66 98 - 67 - 7934=13, 392/2.1=13...(13) H ALA 15 - QD2 LEU 22 OK 26 87 - 30 - 392/2.1=5, 408/2.1=5...(11) H ILE 32 - QD2 LEU 22 poor 9 73 - 12 - 392/2.1=2, 408/2.1=2...(6) Peak 401 from cnoeabs.peaks (4.28, 0.84, 23.38 ppm; 3.01 A): 4 out of 14 assignments used, quality = 0.93: * HA LEU 22 + QD2 LEU 22 OK 86 100 - 86 - 3.9=44, 374/2.1=16...(22) HA ARG 23 + QD2 LEU 22 OK 32 65 - 50 - 2.9/6200=11, ~399=6...(16) HA GLN 61 + QD2 LEU 22 OK 18 96 - 19 - 9379/2.1=8, 5.7/9380=3...(6) HA LYS 36 + QD2 LEU 22 OK 13 99 - 13 - 3.0/10899=8, 393/2.1=2...(5) HA ALA 15 - QD2 LEU 22 lone 7 73 - 10 - 3.0/400=2, 393/2.1=1...(6) HA LYS 31 - QD2 LEU 22 lone 5 100 - 4 - HB THR 115 - QD2 LEU 22 lone 2 98 - 2 - HA ALA 16 - QD2 LEU 22 lone 2 100 - 1 - HA LYS 26 - QD2 LEU 22 lone 2 73 - 2 - HA ALA 109 - QD2 LEU 22 lone 1 100 - 1 - HA ALA 108 - QD2 LEU 22 lone 1 100 - 1 - HA ALA 110 - QD2 LEU 22 lone 1 81 - 1 - HA ALA 12 - QD2 LEU 22 lone 1 73 - 1 - HA LYS 19 - QD2 LEU 22 lone 1 57 - 1 - Peak 402 from cnoeabs.peaks (1.54, 0.84, 23.38 ppm; 2.90 A): 2 out of 3 assignments used, quality = 0.98: * HB2 LEU 22 + QD2 LEU 22 OK 95 100 - 95 - 3.1=79, 394/2.1=20...(20) HB2 LEU 119 + QD2 LEU 22 OK 57 100 - 57 - 2.9/10725=14, 394/2.1=12...(22) HB3 LEU 42 - QD2 LEU 22 OK 17 100 - 17 - 394/2.1=3, 410/2.1=3...(7) Peak 403 from cnoeabs.peaks (1.62, 0.84, 23.38 ppm; 2.78 A): 2 out of 6 assignments used, quality = 1.00: HG LEU 22 + QD2 LEU 22 OK 100 100 - 100 - 2.1=100 * HB3 LEU 22 + QD2 LEU 22 OK 90 100 - 90 - 3.1=70, 1.8/402=17...(19) HG LEU 119 - QD2 LEU 22 OK 39 92 - 43 - 3.7/10725=11, 2.9/402=7...(15) HG3 ARG 23 - QD2 LEU 22 poor 10 65 - 15 - 5.0/6200=5, 3.8/401=3...(4) HG LEU 70 - QD2 LEU 22 lone 3 92 - 3 - HB2 LEU 122 - QD2 LEU 22 lone 3 73 - 3 - Peak 404 from cnoeabs.peaks (1.62, 0.84, 23.38 ppm; 2.75 A): 2 out of 6 assignments used, quality = 1.00: * HG LEU 22 + QD2 LEU 22 OK 100 100 - 100 - 2.1=100 HB3 LEU 22 + QD2 LEU 22 OK 89 100 - 89 - 3.1=68, 1.8/402=17...(19) HG LEU 119 - QD2 LEU 22 OK 38 92 - 42 - 3.7/10725=10, 2.9/402=7...(15) HG3 ARG 23 - QD2 LEU 22 poor 10 65 - 15 - 5.0/6200=5, 3.8/401=3...(4) HG LEU 70 - QD2 LEU 22 lone 2 92 - 3 - HB2 LEU 122 - QD2 LEU 22 lone 2 73 - 3 - Peak 405 from cnoeabs.peaks (0.84, 0.84, 23.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 22 + QD2 LEU 22 OK 100 100 - 100 Peak 406 from cnoeabs.peaks (0.89, 0.84, 23.38 ppm; 2.50 A): 1 out of 3 assignments used, quality = 1.00: * QD1 LEU 22 + QD2 LEU 22 OK 100 100 - 100 - 2.1=100 QG1 VAL 118 - QD2 LEU 22 OK 15 92 - 17 - 398/2.1=4, 390/3.1=3...(7) QG2 VAL 20 - QD2 LEU 22 OK 14 98 - 14 - 398/2.1=3, 382/3.1=2...(6) Peak 407 from cnoeabs.peaks (8.24, 0.84, 23.38 ppm; 4.61 A): 1 out of 2 assignments used, quality = 0.95: * H ARG 23 + QD2 LEU 22 OK 95 100 - 95 - 6200=37, 375/3.9=34...(16) H ALA 29 - QD2 LEU 22 OK 36 98 - 36 - 399/2.1=11, 383/3.1=9...(5) Peak 408 from cnoeabs.peaks (8.15, 0.89, 24.55 ppm; 4.76 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 22 + QD1 LEU 22 OK 100 100 - 100 - 4.9=93, 6188/3.1=30...(17) H VAL 133 + QD1 LEU 22 OK 55 98 - 56 - 7934/2.1=15, 392/2.1=13...(9) H ALA 15 - QD1 LEU 22 OK 26 87 - 30 - 392/2.1=5, 400/2.1=5...(11) H ILE 32 - QD1 LEU 22 poor 8 73 - 11 - 400/2.1=2, 392/2.1=2...(6) Peak 409 from cnoeabs.peaks (4.28, 0.89, 24.55 ppm; 4.28 A): 2 out of 14 assignments used, quality = 1.00: * HA LEU 22 + QD1 LEU 22 OK 100 100 - 100 - 4.0=100 HA ARG 23 + QD1 LEU 22 OK 55 65 - 84 - 2.9/6201=21, ~399=15...(19) HA GLN 61 - QD1 LEU 22 OK 36 96 - 38 - 9379=23, 401/2.1=5...(8) HA LYS 36 - QD1 LEU 22 OK 23 99 - 23 - ~10899=11, 401/2.1=4...(5) HA ALA 15 - QD1 LEU 22 OK 15 73 - 20 - 3.0/408=4, ~392=2...(9) HA LYS 31 - QD1 LEU 22 lone 9 100 - 8 - 393/2.1=1, 401/2.1=1...(6) HB THR 115 - QD1 LEU 22 lone 4 98 - 4 - HA LYS 26 - QD1 LEU 22 lone 4 73 - 6 - 4.0/10703=1 HA ALA 109 - QD1 LEU 22 lone 3 100 - 3 - HA ALA 16 - QD1 LEU 22 lone 3 100 - 3 - HA LYS 19 - QD1 LEU 22 lone 3 57 - 5 - 3.6/6172=3 HA ALA 108 - QD1 LEU 22 lone 3 100 - 3 - HA ALA 110 - QD1 LEU 22 lone 2 81 - 3 - HA ALA 12 - QD1 LEU 22 lone 1 73 - 2 - Peak 410 from cnoeabs.peaks (1.54, 0.89, 24.55 ppm; 3.12 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LEU 22 + QD1 LEU 22 OK 99 100 - 99 - 3.1=99 HB2 LEU 119 + QD1 LEU 22 OK 62 100 - 62 - 394/2.1=13, 402/2.1=12...(23) HB3 LEU 42 - QD1 LEU 22 OK 19 100 - 18 - 402/2.1=3, 394/2.1=3...(10) Peak 411 from cnoeabs.peaks (1.62, 0.89, 24.55 ppm; 2.79 A): 2 out of 6 assignments used, quality = 1.00: HG LEU 22 + QD1 LEU 22 OK 100 100 - 100 - 2.1=100 * HB3 LEU 22 + QD1 LEU 22 OK 90 100 - 90 - 3.1=70, 1.8/410=15...(19) HG LEU 119 - QD1 LEU 22 OK 35 92 - 38 - 2.9/410=7, 3783/3.1=6...(15) HG3 ARG 23 - QD1 LEU 22 OK 11 65 - 17 - 3.8/10727=5, 5.0/6201=5...(4) HG LEU 70 - QD1 LEU 22 lone 2 92 - 3 - HB2 LEU 122 - QD1 LEU 22 lone 2 73 - 3 - 3.5/11748=2 Peak 412 from cnoeabs.peaks (1.62, 0.89, 24.55 ppm; 2.83 A): 2 out of 6 assignments used, quality = 1.00: * HG LEU 22 + QD1 LEU 22 OK 100 100 - 100 - 2.1=100 HB3 LEU 22 + QD1 LEU 22 OK 92 100 - 92 - 3.1=74, 1.8/410=16...(19) HG LEU 119 - QD1 LEU 22 OK 36 92 - 39 - 2.9/410=7, 3783/3.1=6...(15) HG3 ARG 23 - QD1 LEU 22 OK 11 65 - 17 - 3.8/10727=5, 5.0/6201=5...(4) HG LEU 70 - QD1 LEU 22 lone 3 92 - 3 - HB2 LEU 122 - QD1 LEU 22 lone 2 73 - 3 - 3.5/11748=2 Peak 413 from cnoeabs.peaks (0.84, 0.89, 24.55 ppm; 2.50 A): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 22 + QD1 LEU 22 OK 100 100 - 100 - 2.1=100 QG1 VAL 133 - QD1 LEU 22 OK 20 92 - 22 - 397/2.1=5, 381/3.1=4...(9) Peak 414 from cnoeabs.peaks (0.89, 0.89, 24.55 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 22 + QD1 LEU 22 OK 100 100 - 100 Peak 416 from cnoeabs.peaks (8.24, 4.29, 55.99 ppm; 2.90 A): 1 out of 2 assignments used, quality = 0.99: * H ARG 23 + HA ARG 23 OK 99 100 - 99 - 2.9=96, 6203/3.0=15...(16) H ALA 29 - HA ARG 23 OK 22 98 - 22 - 425/3.0=5, 434/3.0=5...(5) Peak 417 from cnoeabs.peaks (4.29, 4.29, 55.99 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ARG 23 + HA ARG 23 OK 100 100 - 100 Peak 418 from cnoeabs.peaks (1.75, 4.29, 55.99 ppm; 2.75 A): 1 out of 5 assignments used, quality = 0.94: * HB2 ARG 23 + HA ARG 23 OK 94 100 - 94 - 3.0=79, 1.8/419=19...(25) HB2 LYS 26 - HA ARG 23 OK 27 92 - 30 - 1.8/419=6, 4.0/424=4...(9) HB2 LYS 24 - HA ARG 23 OK 17 73 - 24 - 4.1/424=8, 1.8/419=3...(7) HB2 LYS 39 - HA ARG 23 poor 10 87 - 11 - ~1162=2, 436/3.0=2...(5) HB2 LYS 19 - HA ARG 23 lone 9 92 - 10 - 6213/3.6=2, 436/3.0=1 Peak 419 from cnoeabs.peaks (1.82, 4.29, 55.99 ppm; 2.76 A): 1 out of 9 assignments used, quality = 0.94: * HB3 ARG 23 + HA ARG 23 OK 94 100 - 94 - 3.0=80, 1.8/418=20...(25) HB3 LYS 26 - HA ARG 23 OK 28 96 - 30 - 1.8/418=6, 4.0/424=4...(9) HB3 LYS 24 - HA ARG 23 OK 15 65 - 23 - 4.1/424=8, 1.8/418=4...(7) HB ILE 32 - HA ARG 23 lone 7 92 - 8 - 4.0/10728=4 HB2 LEU 100 - HA ARG 23 lone 5 100 - 5 - HB3 LEU 123 - HA ARG 23 lone 4 79 - 5 - HB2 LYS 36 - HA ARG 23 lone 2 87 - 2 - HB3 ARG 135 - HA ARG 23 lone 2 92 - 2 - HB VAL 93 - HA ARG 23 lone 2 92 - 2 - Peak 420 from cnoeabs.peaks (1.57, 4.29, 55.99 ppm; 3.57 A): 1 out of 4 assignments used, quality = 0.98: * HG2 ARG 23 + HA ARG 23 OK 98 100 - 98 - 3.8=85, 6205/2.9=22...(26) HG LEU 49 - HA ARG 23 OK 34 98 - 35 - 429/3.0=8, 438/3.0=8...(8) HB2 LEU 103 - HA ARG 23 OK 16 99 - 16 - 438/3.0=4, 429/3.0=4...(5) HG LEU 123 - HA ARG 23 lone 7 73 - 8 - 2.1/10727=1, 429/3.0=1...(4) Peak 421 from cnoeabs.peaks (1.63, 4.29, 55.99 ppm; 3.57 A): 2 out of 4 assignments used, quality = 0.99: * HG3 ARG 23 + HA ARG 23 OK 98 100 - 98 - 3.8=85, 1.8/420=23...(24) HB3 LEU 22 + HA ARG 23 OK 51 65 - 78 - 4.6/416=16, ~6197=13...(27) HG LEU 22 - HA ARG 23 OK 45 65 - 69 - 2.1/10727=13, ~6200=9...(22) HG LEU 119 - HA ARG 23 OK 34 96 - 35 - 2.1/10296=6, 430/3.0=6...(11) Peak 422 from cnoeabs.peaks (3.17, 4.29, 55.99 ppm; 4.16 A): 2 out of 6 assignments used, quality = 1.00: * HD2 ARG 23 + HA ARG 23 OK 98 100 - 98 - 4.9=63, 3.0/420=23...(27) HD3 ARG 23 + HA ARG 23 OK 98 100 - 98 - 4.9=63, 3.0/420=23...(27) HD3 ARG 90 - HA ARG 23 OK 23 100 - 23 - 440/3.0=3, 431/3.0=3...(11) HD2 ARG 90 - HA ARG 23 OK 22 98 - 23 - 440/3.0=3, 431/3.0=3...(11) HB3 HIS 6 - HA ARG 23 lone 2 98 - 2 - HB2 HIS 10 - HA ARG 23 lone 1 87 - 2 - Peak 423 from cnoeabs.peaks (3.17, 4.29, 55.99 ppm; 4.16 A): 2 out of 6 assignments used, quality = 1.00: HD2 ARG 23 + HA ARG 23 OK 98 100 - 98 - 4.9=63, 3.0/420=23...(27) * HD3 ARG 23 + HA ARG 23 OK 98 100 - 98 - 4.9=63, 3.0/420=23...(27) HD3 ARG 90 - HA ARG 23 OK 23 100 - 23 - 440/3.0=3, 431/3.0=3...(11) HD2 ARG 90 - HA ARG 23 OK 22 98 - 23 - 440/3.0=3, 431/3.0=3...(11) HB3 HIS 6 - HA ARG 23 lone 2 98 - 2 - HB2 HIS 10 - HA ARG 23 lone 1 87 - 2 - Peak 424 from cnoeabs.peaks (8.37, 4.29, 55.99 ppm; 2.53 A): 3 out of 4 assignments used, quality = 0.74: * H LYS 24 + HA ARG 23 OK 59 100 - 59 - 3.6=36, 6211/2.9=12...(9) H LYS 26 + HA ARG 23 OK 30 100 - 30 - 6246=12, 6209/2.9=4...(11) H GLY 14 + HA ARG 23 OK 11 98 - 11 - 4.6/10728=5, 6209/2.9=1, 11760=1 H HIS 3 - HA ARG 23 lone 0 57 - 0 - Peak 425 from cnoeabs.peaks (8.24, 1.75, 30.64 ppm; 3.40 A): 2 out of 2 assignments used, quality = 0.96: * H ARG 23 + HB2 ARG 23 OK 94 100 - 94 - 3.8=70, 434/1.8=27...(14) H ALA 29 + HB2 ARG 23 OK 33 98 - 33 - 434/1.8=9, 416/3.0=6...(9) Peak 426 from cnoeabs.peaks (4.29, 1.75, 30.64 ppm; 3.46 A): 1 out of 14 assignments used, quality = 1.00: * HA ARG 23 + HB2 ARG 23 OK 100 100 - 100 - 3.0=100 HA THR 25 - HB2 ARG 23 OK 32 92 - 35 - 582/4.2=8, 3.0/10693=6...(12) HA LEU 22 - HB2 ARG 23 OK 29 65 - 44 - 3.6/6203=17, 435/1.8=5...(16) HA ALA 15 - HB2 ARG 23 OK 16 100 - 16 - ~10728=6, 435/1.8=3...(4) HA ALA 21 - HB2 ARG 23 OK 10 96 - 11 - 6202/3.8=3, 435/1.8=2...(4) HA THR 18 - HB2 ARG 23 lone 7 87 - 8 - ~10697=3, 435/1.8=1 HA ALA 12 - HB2 ARG 23 lone 6 100 - 6 - 435/1.8=1 HA ALA 110 - HB2 ARG 23 lone 3 99 - 3 - HA GLN 61 - HB2 ARG 23 lone 3 92 - 3 - HA LYS 31 - HB2 ARG 23 lone 3 65 - 4 - 6212/4.2=1 HA SER 74 - HB2 ARG 23 lone 1 92 - 2 - HA ALA 16 - HB2 ARG 23 lone 1 57 - 2 - HA ALA 108 - HB2 ARG 23 lone 1 65 - 1 - HA ALA 109 - HB2 ARG 23 lone 1 65 - 1 - Peak 427 from cnoeabs.peaks (1.75, 1.75, 30.64 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 23 + HB2 ARG 23 OK 100 100 - 100 Peak 428 from cnoeabs.peaks (1.82, 1.75, 30.64 ppm; 2.50 A): 1 out of 9 assignments used, quality = 1.00: * HB3 ARG 23 + HB2 ARG 23 OK 100 100 - 100 - 1.8=100 HB3 LYS 26 - HB2 ARG 23 OK 26 96 - 27 - 419/3.0=3, 617=3...(11) HB3 LYS 24 - HB2 ARG 23 OK 11 65 - 17 - 4.1/6213=3, 419/3.0=2...(6) HB2 LEU 100 - HB2 ARG 23 lone 6 100 - 5 - HB ILE 32 - HB2 ARG 23 lone 4 92 - 4 - HB3 LEU 123 - HB2 ARG 23 lone 3 79 - 4 - HB3 ARG 135 - HB2 ARG 23 lone 2 92 - 2 - HB VAL 93 - HB2 ARG 23 lone 2 92 - 2 - HB2 LYS 36 - HB2 ARG 23 lone 2 87 - 2 - Peak 429 from cnoeabs.peaks (1.57, 1.75, 30.64 ppm; 3.16 A): 1 out of 4 assignments used, quality = 1.00: * HG2 ARG 23 + HB2 ARG 23 OK 100 100 - 100 - 3.0=100 HG LEU 49 - HB2 ARG 23 OK 42 98 - 43 - 438/1.8=9, 445=8...(17) HB2 LEU 103 - HB2 ARG 23 OK 19 99 - 18 - 438/1.8=4, 420/3.0=2...(8) HG LEU 123 - HB2 ARG 23 lone 7 73 - 9 - 438/1.8=1 Peak 430 from cnoeabs.peaks (1.63, 1.75, 30.64 ppm; 3.16 A): 1 out of 4 assignments used, quality = 1.00: * HG3 ARG 23 + HB2 ARG 23 OK 100 100 - 100 - 3.0=100 HG LEU 119 - HB2 ARG 23 OK 34 96 - 35 - 439/1.8=7, 454=6...(15) HB3 LEU 22 - HB2 ARG 23 OK 27 65 - 41 - 4.6/425=10, 439/1.8=5...(16) HG LEU 22 - HB2 ARG 23 OK 22 65 - 34 - ~10727=5, 399/3.8=5...(13) Peak 431 from cnoeabs.peaks (3.17, 1.75, 30.64 ppm; 3.84 A): 2 out of 6 assignments used, quality = 1.00: * HD2 ARG 23 + HB2 ARG 23 OK 100 100 - 100 - 3.7=100 HD3 ARG 23 + HB2 ARG 23 OK 100 100 - 100 - 3.7=100 HD3 ARG 90 - HB2 ARG 23 OK 24 100 - 24 - 441/1.8=4, ~441=2...(13) HD2 ARG 90 - HB2 ARG 23 OK 24 98 - 24 - 441/1.8=4, ~441=3...(13) HB3 HIS 6 - HB2 ARG 23 lone 1 98 - 1 - HB2 HIS 10 - HB2 ARG 23 lone 1 87 - 1 - Peak 432 from cnoeabs.peaks (3.17, 1.75, 30.64 ppm; 3.84 A): 2 out of 6 assignments used, quality = 1.00: HD2 ARG 23 + HB2 ARG 23 OK 100 100 - 100 - 3.7=100 * HD3 ARG 23 + HB2 ARG 23 OK 100 100 - 100 - 3.7=100 HD3 ARG 90 - HB2 ARG 23 OK 24 100 - 24 - 441/1.8=4, ~441=2...(13) HD2 ARG 90 - HB2 ARG 23 OK 24 98 - 24 - 441/1.8=4, ~441=3...(13) HB3 HIS 6 - HB2 ARG 23 lone 1 98 - 1 - HB2 HIS 10 - HB2 ARG 23 lone 1 87 - 1 - Peak 433 from cnoeabs.peaks (8.37, 1.75, 30.64 ppm; 4.33 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 24 + HB2 ARG 23 OK 100 100 - 100 - 4.2=100 H LYS 26 + HB2 ARG 23 OK 58 100 - 58 - 424/3.0=14, 442/1.8=12...(15) H GLY 14 - HB2 ARG 23 OK 17 98 - 17 - 11760/3.0=5, 442/1.8=4...(5) H HIS 3 - HB2 ARG 23 lone 1 57 - 1 - Peak 434 from cnoeabs.peaks (8.24, 1.82, 30.64 ppm; 3.37 A): 2 out of 2 assignments used, quality = 0.95: * H ARG 23 + HB3 ARG 23 OK 93 100 - 93 - 3.8=68, 6203/1.8=27...(15) H ALA 29 + HB3 ARG 23 OK 29 98 - 30 - 425/1.8=9, 416/3.0=5...(8) Peak 435 from cnoeabs.peaks (4.29, 1.82, 30.64 ppm; 3.39 A): 1 out of 14 assignments used, quality = 1.00: * HA ARG 23 + HB3 ARG 23 OK 100 100 - 100 - 3.0=100 HA THR 25 - HB3 ARG 23 OK 30 92 - 33 - 582/4.2=7, 3.6/442=5...(12) HA LEU 22 - HB3 ARG 23 OK 28 65 - 43 - 3.6/434=17, 426/1.8=5...(16) HA ALA 15 - HB3 ARG 23 OK 16 100 - 16 - ~10728=6, 426/1.8=3...(4) HA ALA 21 - HB3 ARG 23 poor 10 96 - 10 - 6202/3.8=3, 426/1.8=2...(4) HA ALA 12 - HB3 ARG 23 lone 6 100 - 6 - 426/1.8=1 HA THR 18 - HB3 ARG 23 lone 6 87 - 7 - 3.2/10697=2, 426/1.8=1 HA ALA 110 - HB3 ARG 23 lone 3 99 - 3 - HA LYS 31 - HB3 ARG 23 lone 3 65 - 4 - 6212/4.2=1 HA GLN 61 - HB3 ARG 23 lone 3 92 - 3 - HA SER 74 - HB3 ARG 23 lone 1 92 - 2 - HA ALA 16 - HB3 ARG 23 lone 1 57 - 2 - HA ALA 108 - HB3 ARG 23 lone 1 65 - 1 - HA ALA 109 - HB3 ARG 23 lone 1 65 - 1 - Peak 436 from cnoeabs.peaks (1.75, 1.82, 30.64 ppm; 2.50 A): 1 out of 5 assignments used, quality = 1.00: * HB2 ARG 23 + HB3 ARG 23 OK 100 100 - 100 - 1.8=100 HB2 LYS 26 - HB3 ARG 23 OK 24 92 - 27 - 418/3.0=3, 454/3.0=2...(12) HB2 LYS 24 - HB3 ARG 23 OK 13 73 - 17 - 4.1/6214=4, 418/3.0=2...(6) HB2 LYS 39 - HB3 ARG 23 OK 10 87 - 12 - ~1162=3, ~1173=2...(6) HB2 LYS 19 - HB3 ARG 23 lone 8 92 - 8 - 6213/4.2=1, 418/3.0=1 Peak 437 from cnoeabs.peaks (1.82, 1.82, 30.64 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ARG 23 + HB3 ARG 23 OK 100 100 - 100 Peak 438 from cnoeabs.peaks (1.57, 1.82, 30.64 ppm; 3.03 A): 1 out of 4 assignments used, quality = 1.00: * HG2 ARG 23 + HB3 ARG 23 OK 100 100 - 100 - 3.0=100 HG LEU 49 - HB3 ARG 23 OK 38 98 - 40 - 429/1.8=8, 446=7...(17) HB2 LEU 103 - HB3 ARG 23 OK 17 99 - 17 - 429/1.8=4, 420/3.0=2...(7) HG LEU 123 - HB3 ARG 23 lone 6 73 - 7 - 429/1.8=1 Peak 439 from cnoeabs.peaks (1.63, 1.82, 30.64 ppm; 3.03 A): 1 out of 4 assignments used, quality = 1.00: * HG3 ARG 23 + HB3 ARG 23 OK 100 100 - 100 - 3.0=100 HG LEU 119 - HB3 ARG 23 OK 32 96 - 33 - 430/1.8=6, 455=6...(14) HB3 LEU 22 - HB3 ARG 23 OK 25 65 - 38 - 4.6/434=9, 430/1.8=5...(15) HG LEU 22 - HB3 ARG 23 OK 20 65 - 31 - ~10727=5, 399/3.8=4...(13) Peak 440 from cnoeabs.peaks (3.17, 1.82, 30.64 ppm; 3.85 A): 2 out of 6 assignments used, quality = 1.00: * HD2 ARG 23 + HB3 ARG 23 OK 100 100 - 100 - 3.7=100 HD3 ARG 23 + HB3 ARG 23 OK 100 100 - 100 - 3.7=100 HD3 ARG 90 - HB3 ARG 23 OK 25 100 - 25 - 432/1.8=4, 422/3.0=2...(14) HD2 ARG 90 - HB3 ARG 23 OK 24 98 - 25 - 432/1.8=4, ~432=2...(14) HB3 HIS 6 - HB3 ARG 23 lone 1 98 - 1 - HB2 HIS 10 - HB3 ARG 23 lone 1 87 - 1 - Peak 441 from cnoeabs.peaks (3.17, 1.82, 30.64 ppm; 3.85 A): 2 out of 6 assignments used, quality = 1.00: HD2 ARG 23 + HB3 ARG 23 OK 100 100 - 100 - 3.7=100 * HD3 ARG 23 + HB3 ARG 23 OK 100 100 - 100 - 3.7=100 HD3 ARG 90 - HB3 ARG 23 OK 25 100 - 25 - 432/1.8=4, 422/3.0=2...(14) HD2 ARG 90 - HB3 ARG 23 OK 24 98 - 25 - 432/1.8=4, ~432=2...(14) HB3 HIS 6 - HB3 ARG 23 lone 1 98 - 1 - HB2 HIS 10 - HB3 ARG 23 lone 1 87 - 1 - Peak 442 from cnoeabs.peaks (8.37, 1.82, 30.64 ppm; 4.29 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 24 + HB3 ARG 23 OK 100 100 - 100 - 4.2=100 H LYS 26 + HB3 ARG 23 OK 55 100 - 55 - 424/3.0=14, 433/1.8=13...(15) H GLY 14 - HB3 ARG 23 OK 16 98 - 16 - 11760/3.0=5, 433/1.8=4...(5) H HIS 3 - HB3 ARG 23 lone 1 57 - 1 - Peak 443 from cnoeabs.peaks (8.24, 1.57, 26.98 ppm; 3.83 A): 2 out of 4 assignments used, quality = 0.95: * H ARG 23 + HG2 ARG 23 OK 93 100 - 93 - 5.0=46, 434/3.0=25...(17) H ALA 29 + HG2 ARG 23 OK 35 98 - 35 - 425/3.0=9, 452/1.8=8...(8) H ARG 23 - HG LEU 49 OK 30 85 - 36 - 6205=10, 3.8/429=7...(8) H ALA 29 - HG LEU 49 lone 4 81 - 5 - 425/429=1 Peak 444 from cnoeabs.peaks (4.29, 1.57, 26.98 ppm; 3.79 A): 1 out of 28 assignments used, quality = 1.00: * HA ARG 23 + HG2 ARG 23 OK 100 100 - 100 - 3.8=100 HA ARG 23 - HG LEU 49 OK 35 85 - 41 - 420=11, 3.0/429=8...(8) HA LEU 22 - HG2 ARG 23 OK 29 65 - 44 - 3.6/6205=21, 435/3.0=4...(17) HA THR 25 - HG2 ARG 23 OK 28 92 - 31 - 582/4.6=8, 426/3.0=5...(11) HA ALA 21 - HG LEU 49 OK 15 77 - 19 - 11771/2.1=6, ~6178=3...(7) HA ALA 110 - HG LEU 49 OK 15 83 - 18 - ~11488=5, ~10663=4...(8) HA ALA 15 - HG2 ARG 23 OK 10 100 - 10 - 426/3.0=2, 435/3.0=2...(5) HA ALA 12 - HG2 ARG 23 lone 9 100 - 9 - ~10729=2, 453/1.8=1...(4) HA ALA 21 - HG2 ARG 23 lone 9 96 - 10 - 6202/5.0=2, 435/3.0=1...(4) HA THR 18 - HG2 ARG 23 lone 6 87 - 6 - ~10697=2, 426/3.0=1 HA ALA 108 - HG LEU 49 lone 4 49 - 9 - ~11488=2, ~11484=2...(4) HA LEU 22 - HG LEU 49 lone 4 49 - 8 - 3.6/6205=6 HA ALA 110 - HG2 ARG 23 lone 4 99 - 4 - HA THR 25 - HG LEU 49 lone 3 73 - 4 - 582/6215=1 HA GLN 61 - HG2 ARG 23 lone 3 92 - 3 - HA LYS 31 - HG2 ARG 23 lone 3 65 - 4 - 6212/4.6=1 HA ALA 15 - HG LEU 49 lone 2 85 - 3 - HA ALA 109 - HG LEU 49 lone 2 49 - 5 - ~10118=2, 3.6/1564=2 HA SER 74 - HG2 ARG 23 lone 2 92 - 2 - HA ALA 12 - HG LEU 49 lone 2 85 - 2 - HA THR 18 - HG LEU 49 lone 2 68 - 2 - HA GLN 61 - HG LEU 49 lone 1 73 - 2 - ~10982=1 HA LYS 31 - HG LEU 49 lone 1 49 - 3 - ~10802=2 HA ALA 109 - HG2 ARG 23 lone 1 65 - 2 - HA ALA 108 - HG2 ARG 23 lone 1 65 - 1 - HA SER 74 - HG LEU 49 lone 1 73 - 1 - HA ALA 16 - HG2 ARG 23 lone 1 57 - 1 - HA ALA 16 - HG LEU 49 lone 1 42 - 1 - Peak 445 from cnoeabs.peaks (1.75, 1.57, 26.98 ppm; 2.89 A): 1 out of 10 assignments used, quality = 0.97: * HB2 ARG 23 + HG2 ARG 23 OK 97 100 - 97 - 3.0=91, 454/1.8=17...(21) HB2 ARG 23 - HG LEU 49 OK 32 85 - 38 - 429=9, 1.8/438=7...(15) HB2 LYS 26 - HG2 ARG 23 OK 29 92 - 31 - 454/1.8=5, 1.8/446=4...(12) HB2 LYS 24 - HG2 ARG 23 OK 16 73 - 23 - 4.1/6215=7, 454/1.8=3...(8) HB2 LYS 39 - HG2 ARG 23 OK 12 87 - 13 - ~1162=2, 454/1.8=2...(7) HB2 LYS 19 - HG2 ARG 23 OK 11 92 - 12 - 454/1.8=2, ~10729=2...(8) HB2 LYS 26 - HG LEU 49 lone 5 73 - 7 - ~10751=4 HB2 LYS 24 - HG LEU 49 lone 3 56 - 6 - 4.1/6215=3, ~10751=1 HB2 LYS 19 - HG LEU 49 lone 1 73 - 1 - HB2 LYS 39 - HG LEU 49 lone 1 68 - 1 - Peak 446 from cnoeabs.peaks (1.82, 1.57, 26.98 ppm; 2.87 A): 1 out of 18 assignments used, quality = 0.97: * HB3 ARG 23 + HG2 ARG 23 OK 97 100 - 97 - 3.0=90, 455/1.8=16...(21) HB3 ARG 23 - HG LEU 49 OK 33 85 - 38 - 438=10, 1.8/429=7...(15) HB3 LYS 26 - HG2 ARG 23 OK 30 96 - 32 - 455/1.8=5, 1.8/445=4...(12) HB3 LYS 24 - HG2 ARG 23 OK 14 65 - 22 - 4.1/6215=7, 1.8/445=3...(6) HB3 LEU 123 - HG LEU 49 OK 10 60 - 17 - ~11422=4, 1.8/3923=2...(8) HB2 LEU 100 - HG LEU 49 poor 9 85 - 11 - ~11384=6, 3.0/3229=5 HB2 LEU 100 - HG2 ARG 23 lone 8 100 - 8 - 3.0/3229=2, 455/1.8=1 HB3 LYS 26 - HG LEU 49 lone 6 77 - 8 - 10751/2.1=5 HB3 LEU 123 - HG2 ARG 23 lone 5 79 - 6 - HB ILE 32 - HG2 ARG 23 lone 4 92 - 5 - HB3 LYS 24 - HG LEU 49 lone 3 49 - 6 - 4.1/6215=3, 10751/2.1=2 HB3 ARG 135 - HG2 ARG 23 lone 3 92 - 3 - HB VAL 93 - HG2 ARG 23 lone 2 92 - 3 - HB2 LYS 36 - HG2 ARG 23 lone 2 87 - 2 - HB ILE 32 - HG LEU 49 lone 2 73 - 3 - HB2 LYS 36 - HG LEU 49 lone 0 68 - 1 - HB3 ARG 135 - HG LEU 49 lone 0 73 - 1 - HB VAL 93 - HG LEU 49 lone 0 73 - 0 - Peak 447 from cnoeabs.peaks (1.57, 1.57, 26.98 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 ARG 23 + HG2 ARG 23 OK 100 100 - 100 HG LEU 49 + HG LEU 49 OK 81 81 - 100 Peak 448 from cnoeabs.peaks (1.63, 1.57, 26.98 ppm; 2.50 A): 1 out of 8 assignments used, quality = 1.00: * HG3 ARG 23 + HG2 ARG 23 OK 100 100 - 100 - 1.8=100 HG3 ARG 23 - HG LEU 49 OK 28 85 - 33 - 456=8, 3.0/438=4...(17) HG LEU 119 - HG2 ARG 23 OK 25 96 - 26 - 456=5, 439/3.0=3...(14) HB3 LEU 22 - HG2 ARG 23 OK 13 65 - 20 - 4.6/6205=5, 439/3.0=2...(6) HG LEU 119 - HG LEU 49 poor 9 77 - 12 - 456=2, 3786/2.1=2, 2.1/1569=1 HG LEU 22 - HG2 ARG 23 poor 9 65 - 13 - 421/3.8=2, 399/5.0=2...(4) HB3 LEU 22 - HG LEU 49 lone 1 49 - 3 - 4.6/6205=1 HG LEU 22 - HG LEU 49 lone 1 49 - 1 - Peak 449 from cnoeabs.peaks (3.17, 1.57, 26.98 ppm; 3.45 A): 2 out of 12 assignments used, quality = 1.00: * HD2 ARG 23 + HG2 ARG 23 OK 100 100 - 100 - 3.0=100 HD3 ARG 23 + HG2 ARG 23 OK 100 100 - 100 - 3.0=100 HD3 ARG 23 - HG LEU 49 OK 35 85 - 41 - 3.0/456=6, 3.7/429=6...(16) HD2 ARG 23 - HG LEU 49 OK 35 85 - 41 - 3.0/456=6, 3.7/429=6...(16) HD3 ARG 90 - HG2 ARG 23 OK 22 100 - 22 - 459/1.8=3, 441/3.0=2...(10) HD2 ARG 90 - HG2 ARG 23 OK 22 98 - 22 - 459/1.8=3, 440/3.0=2...(11) HD3 ARG 90 - HG LEU 49 lone 6 85 - 7 - 3.8/1567=1, 2843/3.0=1, ~2825=1 HD2 ARG 90 - HG LEU 49 lone 6 81 - 7 - 3.8/1567=1, 2834/3.0=1, ~2825=1 HB2 HIS 10 - HG2 ARG 23 lone 1 87 - 1 - HB3 HIS 6 - HG2 ARG 23 lone 1 98 - 1 - HB3 HIS 6 - HG LEU 49 lone 0 81 - 0 - HB2 HIS 10 - HG LEU 49 lone 0 68 - 0 - Peak 450 from cnoeabs.peaks (3.17, 1.57, 26.98 ppm; 3.45 A): 2 out of 12 assignments used, quality = 1.00: HD2 ARG 23 + HG2 ARG 23 OK 100 100 - 100 - 3.0=100 * HD3 ARG 23 + HG2 ARG 23 OK 100 100 - 100 - 3.0=100 HD3 ARG 23 - HG LEU 49 OK 35 85 - 41 - 3.0/456=6, 3.7/429=6...(16) HD2 ARG 23 - HG LEU 49 OK 35 85 - 41 - 3.0/456=6, 3.7/429=6...(16) HD3 ARG 90 - HG2 ARG 23 OK 22 100 - 22 - 459/1.8=3, 441/3.0=2...(10) HD2 ARG 90 - HG2 ARG 23 OK 22 98 - 22 - 459/1.8=3, 440/3.0=2...(11) HD3 ARG 90 - HG LEU 49 lone 6 85 - 7 - 3.8/1567=1, 2843/3.0=1, ~2825=1 HD2 ARG 90 - HG LEU 49 lone 6 81 - 7 - 3.8/1567=1, 2834/3.0=1, ~2825=1 HB2 HIS 10 - HG2 ARG 23 lone 1 87 - 1 - HB3 HIS 6 - HG2 ARG 23 lone 1 98 - 1 - HB3 HIS 6 - HG LEU 49 lone 0 81 - 0 - HB2 HIS 10 - HG LEU 49 lone 0 68 - 0 - Peak 451 from cnoeabs.peaks (8.37, 1.57, 26.98 ppm; 5.29 A): 3 out of 8 assignments used, quality = 1.00: * H LYS 24 + HG2 ARG 23 OK 100 100 - 100 - 4.6=100 H LYS 26 + HG2 ARG 23 OK 59 100 - 59 - 424/3.8=14, 433/3.0=14...(11) H LYS 24 + HG LEU 49 OK 48 85 - 57 - 10733/2.1=18, 6215=13...(7) H GLY 14 - HG2 ARG 23 OK 22 98 - 22 - 11760/3.8=6, 442/3.0=4...(5) H LYS 26 - HG LEU 49 poor 9 85 - 11 - 433/429=2, 442/438=2...(6) H GLY 14 - HG LEU 49 lone 3 81 - 4 - H HIS 3 - HG2 ARG 23 lone 1 57 - 2 - H HIS 3 - HG LEU 49 lone 1 42 - 1 - Peak 452 from cnoeabs.peaks (8.24, 1.63, 26.98 ppm; 3.83 A): 2 out of 4 assignments used, quality = 0.96: * H ARG 23 + HG3 ARG 23 OK 94 100 - 94 - 5.0=46, 6205/1.8=32...(16) H ALA 29 + HG3 ARG 23 OK 35 98 - 35 - 425/3.0=9, 443/1.8=8...(8) H ARG 23 - HG LEU 119 OK 29 72 - 41 - 6197/2.9=8, 6206=7...(12) H ALA 29 - HG LEU 119 lone 3 67 - 5 - Peak 453 from cnoeabs.peaks (4.29, 1.63, 26.98 ppm; 3.79 A): 1 out of 28 assignments used, quality = 1.00: * HA ARG 23 + HG3 ARG 23 OK 100 100 - 100 - 3.8=100 HA ARG 23 - HG LEU 119 OK 29 72 - 40 - 421=7, 10296/2.1=7...(11) HA THR 25 - HG3 ARG 23 OK 28 92 - 31 - 582/4.6=8, 426/3.0=5...(11) HA LEU 22 - HG3 ARG 23 OK 24 65 - 37 - 3.6/452=14, 435/3.0=4...(13) HA LEU 22 - HG LEU 119 OK 21 40 - 52 - 10296/2.1=8, ~3799=6...(17) HA ALA 15 - HG3 ARG 23 OK 10 100 - 10 - 426/3.0=2, 435/3.0=2...(5) HA ALA 21 - HG3 ARG 23 poor 10 96 - 10 - 6202/5.0=2, 435/3.0=1...(4) HA ALA 12 - HG3 ARG 23 lone 9 100 - 9 - ~10729=2, 444/1.8=1...(4) HA THR 18 - HG3 ARG 23 lone 6 87 - 6 - ~10697=2, 426/3.0=1 HA ALA 110 - HG LEU 119 lone 4 70 - 6 - 10296/2.1=4, ~11488=1 HA ALA 108 - HG LEU 119 poor 4 40 - 11 - ~11488=2, 10296/2.1=2...(6) HA GLN 61 - HG LEU 119 lone 4 60 - 7 - 10296/2.1=5 HA ALA 110 - HG3 ARG 23 lone 4 99 - 4 - HA ALA 12 - HG LEU 119 lone 4 71 - 5 - ~11559=2, 10296/2.1=2 HA GLN 61 - HG3 ARG 23 lone 3 92 - 3 - HA LYS 31 - HG3 ARG 23 lone 3 65 - 4 - 6212/4.6=1 HA ALA 15 - HG LEU 119 lone 2 71 - 3 - HA LYS 31 - HG LEU 119 lone 2 40 - 5 - ~10802=4 HA THR 25 - HG LEU 119 lone 2 60 - 3 - HA ALA 21 - HG LEU 119 lone 2 64 - 3 - 3.6/6189=1 HA SER 74 - HG3 ARG 23 lone 2 92 - 2 - HA ALA 109 - HG LEU 119 lone 2 40 - 4 - HA ALA 108 - HG3 ARG 23 lone 1 65 - 2 - HA ALA 109 - HG3 ARG 23 lone 1 65 - 1 - HA ALA 16 - HG3 ARG 23 lone 1 57 - 1 - HA THR 18 - HG LEU 119 lone 1 56 - 1 - HA ALA 16 - HG LEU 119 lone 1 34 - 2 - HA SER 74 - HG LEU 119 lone 1 60 - 1 - Peak 454 from cnoeabs.peaks (1.75, 1.63, 26.98 ppm; 2.89 A): 1 out of 10 assignments used, quality = 0.97: * HB2 ARG 23 + HG3 ARG 23 OK 97 100 - 97 - 3.0=91, 1.8/455=16...(21) HB2 LYS 26 - HG3 ARG 23 OK 29 92 - 31 - 1.8/455=5, 445/1.8=5...(12) HB2 ARG 23 - HG LEU 119 OK 23 72 - 32 - 430=7, 1.8/439=6...(13) HB2 LYS 24 - HG3 ARG 23 OK 16 73 - 22 - 4.1/6216=7, 445/1.8=3...(8) HB2 LYS 39 - HG3 ARG 23 OK 12 87 - 13 - ~1162=2, 445/1.8=2...(7) HB2 LYS 19 - HG3 ARG 23 OK 11 92 - 12 - 445/1.8=2, ~10729=2...(8) HB2 LYS 26 - HG LEU 119 lone 3 60 - 5 - ~10751=2 HB2 LYS 24 - HG LEU 119 lone 2 45 - 4 - 4.1/6216=2 HB2 LYS 39 - HG LEU 119 lone 1 56 - 1 - HB2 LYS 19 - HG LEU 119 lone 1 60 - 1 - Peak 455 from cnoeabs.peaks (1.82, 1.63, 26.98 ppm; 2.87 A): 1 out of 18 assignments used, quality = 0.97: * HB3 ARG 23 + HG3 ARG 23 OK 97 100 - 97 - 3.0=90, 1.8/454=17...(21) HB3 LYS 26 - HG3 ARG 23 OK 30 96 - 32 - 1.8/454=5, 446/1.8=4...(12) HB3 ARG 23 - HG LEU 119 OK 23 72 - 32 - 439=8, 1.8/430=5...(13) HB3 LYS 24 - HG3 ARG 23 OK 14 65 - 22 - 4.1/6216=7, 1.8/454=3...(6) HB2 LEU 100 - HG3 ARG 23 lone 7 100 - 7 - 446/1.8=1 HB3 LEU 123 - HG LEU 119 poor 6 49 - 13 - ~3922=3, ~11422=3...(7) HB3 LEU 123 - HG3 ARG 23 lone 5 79 - 6 - HB ILE 32 - HG3 ARG 23 lone 4 92 - 4 - HB3 LYS 26 - HG LEU 119 lone 3 64 - 5 - 10751/2.1=3 HB3 ARG 135 - HG3 ARG 23 lone 2 92 - 3 - HB VAL 93 - HG3 ARG 23 lone 2 92 - 2 - HB2 LYS 36 - HG3 ARG 23 lone 2 87 - 2 - HB3 LYS 24 - HG LEU 119 lone 2 40 - 4 - 4.1/6216=2, 10751/2.1=1 HB2 LEU 100 - HG LEU 119 lone 1 71 - 2 - ~11384=1 HB3 ARG 135 - HG LEU 119 lone 1 60 - 1 - HB ILE 32 - HG LEU 119 lone 0 60 - 1 - HB2 LYS 36 - HG LEU 119 lone 0 56 - 0 - HB VAL 93 - HG LEU 119 lone 0 60 - 0 - Peak 456 from cnoeabs.peaks (1.57, 1.63, 26.98 ppm; 2.50 A): 1 out of 8 assignments used, quality = 1.00: * HG2 ARG 23 + HG3 ARG 23 OK 100 100 - 100 - 1.8=100 HG LEU 49 - HG3 ARG 23 OK 31 98 - 32 - 448=8, 438/3.0=4...(17) HG2 ARG 23 - HG LEU 119 OK 19 72 - 27 - 448=7, 3.0/439=3...(14) HB2 LEU 103 - HG3 ARG 23 OK 12 99 - 12 - 438/3.0=2, 429/3.0=2...(5) HG LEU 49 - HG LEU 119 poor 8 67 - 12 - 448=2, 1569/2.1=2 HG LEU 123 - HG LEU 119 poor 7 45 - 16 - ~11422=4, ~3792=2...(9) HG LEU 123 - HG3 ARG 23 lone 4 73 - 5 - HB2 LEU 103 - HG LEU 119 lone 3 70 - 4 - Peak 457 from cnoeabs.peaks (1.63, 1.63, 26.98 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 ARG 23 + HG3 ARG 23 OK 100 100 - 100 HG LEU 119 + HG LEU 119 OK 64 64 - 100 Peak 458 from cnoeabs.peaks (3.17, 1.63, 26.98 ppm; 3.45 A): 2 out of 12 assignments used, quality = 1.00: * HD2 ARG 23 + HG3 ARG 23 OK 100 100 - 100 - 3.0=100 HD3 ARG 23 + HG3 ARG 23 OK 100 100 - 100 - 3.0=100 HD3 ARG 23 - HG LEU 119 OK 25 72 - 35 - 3.0/448=5, 3.7/430=4...(16) HD2 ARG 23 - HG LEU 119 OK 25 72 - 35 - 3.0/448=5, 3.7/430=4...(16) HD3 ARG 90 - HG3 ARG 23 OK 21 100 - 21 - 449/1.8=2, 441/3.0=2...(10) HD2 ARG 90 - HG3 ARG 23 OK 21 98 - 21 - 449/1.8=2, 441/3.0=2...(11) HB2 HIS 10 - HG3 ARG 23 lone 1 87 - 1 - HB3 HIS 6 - HG3 ARG 23 lone 1 98 - 1 - HD3 ARG 90 - HG LEU 119 lone 1 71 - 1 - HD2 ARG 90 - HG LEU 119 lone 1 67 - 1 - HB3 HIS 6 - HG LEU 119 lone 0 67 - 0 - HB2 HIS 10 - HG LEU 119 lone 0 56 - 0 - Peak 459 from cnoeabs.peaks (3.17, 1.63, 26.98 ppm; 3.45 A): 2 out of 12 assignments used, quality = 1.00: HD2 ARG 23 + HG3 ARG 23 OK 100 100 - 100 - 3.0=100 * HD3 ARG 23 + HG3 ARG 23 OK 100 100 - 100 - 3.0=100 HD3 ARG 23 - HG LEU 119 OK 25 72 - 35 - 3.0/448=5, 3.7/430=4...(16) HD2 ARG 23 - HG LEU 119 OK 25 72 - 35 - 3.0/448=5, 3.7/430=4...(16) HD3 ARG 90 - HG3 ARG 23 OK 21 100 - 21 - 449/1.8=2, 441/3.0=2...(10) HD2 ARG 90 - HG3 ARG 23 OK 21 98 - 21 - 449/1.8=2, 441/3.0=2...(11) HB2 HIS 10 - HG3 ARG 23 lone 1 87 - 1 - HB3 HIS 6 - HG3 ARG 23 lone 1 98 - 1 - HD3 ARG 90 - HG LEU 119 lone 1 71 - 1 - HD2 ARG 90 - HG LEU 119 lone 1 67 - 1 - HB3 HIS 6 - HG LEU 119 lone 0 67 - 0 - HB2 HIS 10 - HG LEU 119 lone 0 56 - 0 - Peak 460 from cnoeabs.peaks (8.37, 1.63, 26.98 ppm; 5.29 A): 2 out of 8 assignments used, quality = 1.00: * H LYS 24 + HG3 ARG 23 OK 100 100 - 100 - 4.6=100 H LYS 26 + HG3 ARG 23 OK 59 100 - 59 - 424/3.8=14, 433/3.0=14...(11) H LYS 24 - HG LEU 119 OK 27 72 - 37 - 4.2/430=8, 6216=8...(6) H GLY 14 - HG3 ARG 23 OK 22 98 - 22 - 11760/3.8=6, 442/3.0=4...(5) H LYS 26 - HG LEU 119 lone 6 71 - 8 - 433/430=1, 442/439=1...(4) H GLY 14 - HG LEU 119 lone 4 67 - 5 - ~10661=1 H HIS 3 - HG3 ARG 23 lone 1 57 - 2 - H HIS 3 - HG LEU 119 lone 0 34 - 1 - Peak 461 from cnoeabs.peaks (8.24, 3.17, 43.21 ppm; 5.27 A): 2 out of 4 assignments used, quality = 1.00: H ARG 23 + HD3 ARG 23 OK 98 100 - 98 - 6.4=56, 6205/3.0=34...(15) * H ARG 23 + HD2 ARG 23 OK 98 100 - 98 - 6.4=56, 6205/3.0=34...(15) H ALA 29 - HD3 ARG 23 OK 41 98 - 41 - 425/3.7=11, 434/3.7=11...(5) H ALA 29 - HD2 ARG 23 OK 41 98 - 41 - 425/3.7=11, 434/3.7=11...(5) Peak 462 from cnoeabs.peaks (4.29, 3.17, 43.21 ppm; 3.60 A): 2 out of 28 assignments used, quality = 0.99: * HA ARG 23 + HD2 ARG 23 OK 92 100 - 92 - 4.9=41, 420/3.0=18...(27) HA ARG 23 + HD3 ARG 23 OK 92 100 - 92 - 4.9=41, 420/3.0=18...(27) HA LEU 22 - HD3 ARG 23 OK 17 65 - 27 - 3.6/6207=8, 435/3.7=3...(8) HA LEU 22 - HD2 ARG 23 OK 17 65 - 27 - 3.6/6207=8, 435/3.7=3...(8) HA THR 25 - HD3 ARG 23 OK 12 92 - 13 - 426/3.7=4, 435/3.7=3...(4) HA THR 25 - HD2 ARG 23 OK 12 92 - 13 - 426/3.7=4, 435/3.7=3...(4) HA ALA 12 - HD3 ARG 23 OK 10 100 - 10 - 2.1/10729=4, ~10729=3 HA ALA 12 - HD2 ARG 23 OK 10 100 - 10 - 2.1/10729=4, ~10729=3 HA ALA 15 - HD2 ARG 23 lone 7 100 - 7 - 426/3.7=2, 435/3.7=2 HA ALA 15 - HD3 ARG 23 lone 7 100 - 7 - 426/3.7=2, 435/3.7=2 HA ALA 21 - HD2 ARG 23 lone 6 96 - 6 - 435/3.7=1, 426/3.7=1 HA ALA 21 - HD3 ARG 23 lone 6 96 - 6 - 435/3.7=1, 426/3.7=1 HA THR 18 - HD2 ARG 23 lone 3 87 - 4 - HA THR 18 - HD3 ARG 23 lone 3 87 - 4 - HA ALA 110 - HD3 ARG 23 lone 3 99 - 2 - HA ALA 110 - HD2 ARG 23 lone 3 99 - 2 - HA GLN 61 - HD2 ARG 23 lone 2 92 - 2 - HA GLN 61 - HD3 ARG 23 lone 2 92 - 2 - HA LYS 31 - HD2 ARG 23 lone 1 65 - 2 - HA LYS 31 - HD3 ARG 23 lone 1 65 - 2 - HA SER 74 - HD3 ARG 23 lone 1 92 - 1 - HA SER 74 - HD2 ARG 23 lone 1 92 - 1 - HA ALA 108 - HD3 ARG 23 lone 1 65 - 1 - HA ALA 108 - HD2 ARG 23 lone 1 65 - 1 - HA ALA 109 - HD3 ARG 23 lone 1 65 - 1 - HA ALA 109 - HD2 ARG 23 lone 1 65 - 1 - HA ALA 16 - HD3 ARG 23 lone 1 57 - 1 - HA ALA 16 - HD2 ARG 23 lone 1 57 - 1 - Peak 463 from cnoeabs.peaks (1.75, 3.17, 43.21 ppm; 3.21 A): 2 out of 10 assignments used, quality = 0.99: * HB2 ARG 23 + HD2 ARG 23 OK 90 100 - 90 - 3.7=67, 454/3.0=14...(18) HB2 ARG 23 + HD3 ARG 23 OK 90 100 - 90 - 3.7=67, 454/3.0=14...(18) HB2 LYS 26 - HD3 ARG 23 OK 25 92 - 27 - 454/3.0=4, 445/3.0=4...(12) HB2 LYS 26 - HD2 ARG 23 OK 25 92 - 27 - 454/3.0=4, 445/3.0=4...(12) HB2 LYS 19 - HD3 ARG 23 OK 14 92 - 15 - 3.0/10729=5, ~10729=3...(6) HB2 LYS 19 - HD2 ARG 23 OK 14 92 - 15 - 3.0/10729=5, ~10729=3...(6) HB2 LYS 24 - HD2 ARG 23 OK 11 73 - 15 - 454/3.0=2, 445/3.0=2...(6) HB2 LYS 24 - HD3 ARG 23 OK 11 73 - 15 - 454/3.0=2, 445/3.0=2...(6) HB2 LYS 39 - HD3 ARG 23 lone 6 87 - 7 - 454/3.0=2, 436/3.7=2, 445/3.0=2 HB2 LYS 39 - HD2 ARG 23 lone 6 87 - 7 - 454/3.0=2, 436/3.7=2, 445/3.0=2 Peak 464 from cnoeabs.peaks (1.82, 3.17, 43.21 ppm; 3.21 A): 2 out of 18 assignments used, quality = 0.99: HB3 ARG 23 + HD3 ARG 23 OK 90 100 - 90 - 3.7=68, 455/3.0=14...(18) * HB3 ARG 23 + HD2 ARG 23 OK 90 100 - 90 - 3.7=68, 455/3.0=14...(18) HB3 LYS 26 - HD2 ARG 23 OK 25 96 - 27 - 455/3.0=4, 428/3.7=4...(12) HB3 LYS 26 - HD3 ARG 23 OK 25 96 - 27 - 455/3.0=4, 428/3.7=4...(12) HB3 LYS 24 - HD2 ARG 23 poor 9 65 - 15 - 455/3.0=2, 446/3.0=2...(9) HB3 LYS 24 - HD3 ARG 23 poor 9 65 - 15 - 455/3.0=2, 446/3.0=2...(9) HB2 LEU 100 - HD3 ARG 23 lone 5 100 - 5 - 455/3.0=1 HB2 LEU 100 - HD2 ARG 23 lone 5 100 - 5 - 455/3.0=1 HB3 LEU 123 - HD3 ARG 23 lone 4 79 - 5 - HB3 LEU 123 - HD2 ARG 23 lone 4 79 - 5 - HB ILE 32 - HD2 ARG 23 lone 3 92 - 4 - HB ILE 32 - HD3 ARG 23 lone 3 92 - 4 - HB VAL 93 - HD2 ARG 23 lone 2 92 - 2 - HB VAL 93 - HD3 ARG 23 lone 2 92 - 2 - HB3 ARG 135 - HD2 ARG 23 lone 2 92 - 2 - HB3 ARG 135 - HD3 ARG 23 lone 2 92 - 2 - HB2 LYS 36 - HD2 ARG 23 lone 2 87 - 2 - HB2 LYS 36 - HD3 ARG 23 lone 2 87 - 2 - Peak 465 from cnoeabs.peaks (1.57, 3.17, 43.21 ppm; 3.08 A): 2 out of 8 assignments used, quality = 1.00: HG2 ARG 23 + HD3 ARG 23 OK 100 100 - 100 - 3.0=100 * HG2 ARG 23 + HD2 ARG 23 OK 100 100 - 100 - 3.0=100 HG LEU 49 - HD3 ARG 23 OK 32 98 - 33 - 456/3.0=5, 429/3.7=5...(16) HG LEU 49 - HD2 ARG 23 OK 32 98 - 33 - 456/3.0=5, 429/3.7=5...(16) HB2 LEU 103 - HD3 ARG 23 OK 14 99 - 14 - 438/3.7=2, 429/3.7=2...(7) HB2 LEU 103 - HD2 ARG 23 OK 14 99 - 14 - 438/3.7=2, 429/3.7=2...(7) HG LEU 123 - HD3 ARG 23 lone 4 73 - 5 - HG LEU 123 - HD2 ARG 23 lone 4 73 - 5 - Peak 466 from cnoeabs.peaks (1.63, 3.17, 43.21 ppm; 3.08 A): 2 out of 8 assignments used, quality = 1.00: * HG3 ARG 23 + HD2 ARG 23 OK 100 100 - 100 - 3.0=100 HG3 ARG 23 + HD3 ARG 23 OK 100 100 - 100 - 3.0=100 HG LEU 119 - HD2 ARG 23 OK 26 96 - 27 - 448/3.0=4, 430/3.7=4...(13) HG LEU 119 - HD3 ARG 23 OK 26 96 - 27 - 448/3.0=4, 430/3.7=4...(13) HB3 LEU 22 - HD2 ARG 23 OK 15 65 - 23 - 4.6/6208=4, 430/3.7=3...(7) HB3 LEU 22 - HD3 ARG 23 OK 15 65 - 23 - 4.6/6208=4, 430/3.7=3...(7) HG LEU 22 - HD2 ARG 23 OK 10 65 - 15 - 430/3.7=2, 439/3.7=2...(6) HG LEU 22 - HD3 ARG 23 OK 10 65 - 15 - 430/3.7=2, 439/3.7=2...(6) Peak 467 from cnoeabs.peaks (3.17, 3.17, 43.21 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 ARG 23 + HD3 ARG 23 OK 100 100 - 100 * HD2 ARG 23 + HD2 ARG 23 OK 100 100 - 100 Peak 468 from cnoeabs.peaks (3.17, 3.17, 43.21 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 ARG 23 + HD3 ARG 23 OK 100 100 - 100 HD2 ARG 23 + HD2 ARG 23 OK 100 100 - 100 Reference assignment not found: HD3 ARG 23 - HD2 ARG 23 Peak 470 from cnoeabs.peaks (8.24, 3.17, 43.21 ppm; 5.27 A): 2 out of 4 assignments used, quality = 1.00: * H ARG 23 + HD3 ARG 23 OK 98 100 - 98 - 6.4=56, 6205/3.0=34...(15) H ARG 23 + HD2 ARG 23 OK 98 100 - 98 - 6.4=56, 6205/3.0=34...(15) H ALA 29 - HD3 ARG 23 OK 41 98 - 41 - 425/3.7=11, 434/3.7=11...(5) H ALA 29 - HD2 ARG 23 OK 41 98 - 41 - 425/3.7=11, 434/3.7=11...(5) Peak 471 from cnoeabs.peaks (4.29, 3.17, 43.21 ppm; 3.60 A): 2 out of 28 assignments used, quality = 0.99: HA ARG 23 + HD2 ARG 23 OK 92 100 - 92 - 4.9=41, 420/3.0=18...(27) * HA ARG 23 + HD3 ARG 23 OK 92 100 - 92 - 4.9=41, 420/3.0=18...(27) HA LEU 22 - HD3 ARG 23 OK 17 65 - 27 - 3.6/6207=8, 435/3.7=3...(8) HA LEU 22 - HD2 ARG 23 OK 17 65 - 27 - 3.6/6207=8, 435/3.7=3...(8) HA THR 25 - HD3 ARG 23 OK 12 92 - 13 - 426/3.7=4, 435/3.7=3...(4) HA THR 25 - HD2 ARG 23 OK 12 92 - 13 - 426/3.7=4, 435/3.7=3...(4) HA ALA 12 - HD3 ARG 23 OK 10 100 - 10 - 2.1/10729=4, ~10729=3 HA ALA 12 - HD2 ARG 23 OK 10 100 - 10 - 2.1/10729=4, ~10729=3 HA ALA 15 - HD2 ARG 23 lone 7 100 - 7 - 426/3.7=2, 435/3.7=2 HA ALA 15 - HD3 ARG 23 lone 7 100 - 7 - 426/3.7=2, 435/3.7=2 HA ALA 21 - HD2 ARG 23 lone 6 96 - 6 - 435/3.7=1, 426/3.7=1 HA ALA 21 - HD3 ARG 23 lone 6 96 - 6 - 435/3.7=1, 426/3.7=1 HA THR 18 - HD2 ARG 23 lone 3 87 - 4 - HA THR 18 - HD3 ARG 23 lone 3 87 - 4 - HA ALA 110 - HD3 ARG 23 lone 3 99 - 2 - HA ALA 110 - HD2 ARG 23 lone 3 99 - 2 - HA GLN 61 - HD2 ARG 23 lone 2 92 - 2 - HA GLN 61 - HD3 ARG 23 lone 2 92 - 2 - HA LYS 31 - HD2 ARG 23 lone 1 65 - 2 - HA LYS 31 - HD3 ARG 23 lone 1 65 - 2 - HA SER 74 - HD3 ARG 23 lone 1 92 - 1 - HA SER 74 - HD2 ARG 23 lone 1 92 - 1 - HA ALA 108 - HD3 ARG 23 lone 1 65 - 1 - HA ALA 108 - HD2 ARG 23 lone 1 65 - 1 - HA ALA 109 - HD3 ARG 23 lone 1 65 - 1 - HA ALA 109 - HD2 ARG 23 lone 1 65 - 1 - HA ALA 16 - HD3 ARG 23 lone 1 57 - 1 - HA ALA 16 - HD2 ARG 23 lone 1 57 - 1 - Peak 472 from cnoeabs.peaks (1.75, 3.17, 43.21 ppm; 3.21 A): 2 out of 10 assignments used, quality = 0.99: HB2 ARG 23 + HD2 ARG 23 OK 90 100 - 90 - 3.7=67, 454/3.0=14...(18) * HB2 ARG 23 + HD3 ARG 23 OK 90 100 - 90 - 3.7=67, 454/3.0=14...(18) HB2 LYS 26 - HD3 ARG 23 OK 25 92 - 27 - 454/3.0=4, 445/3.0=4...(12) HB2 LYS 26 - HD2 ARG 23 OK 25 92 - 27 - 454/3.0=4, 445/3.0=4...(12) HB2 LYS 19 - HD3 ARG 23 OK 14 92 - 15 - 3.0/10729=5, ~10729=3...(6) HB2 LYS 19 - HD2 ARG 23 OK 14 92 - 15 - 3.0/10729=5, ~10729=3...(6) HB2 LYS 24 - HD2 ARG 23 OK 11 73 - 15 - 454/3.0=2, 445/3.0=2...(6) HB2 LYS 24 - HD3 ARG 23 OK 11 73 - 15 - 454/3.0=2, 445/3.0=2...(6) HB2 LYS 39 - HD3 ARG 23 lone 6 87 - 7 - 454/3.0=2, 436/3.7=2, 445/3.0=2 HB2 LYS 39 - HD2 ARG 23 lone 6 87 - 7 - 454/3.0=2, 436/3.7=2, 445/3.0=2 Peak 473 from cnoeabs.peaks (1.82, 3.17, 43.21 ppm; 3.21 A): 2 out of 18 assignments used, quality = 0.99: * HB3 ARG 23 + HD3 ARG 23 OK 90 100 - 90 - 3.7=68, 455/3.0=14...(18) HB3 ARG 23 + HD2 ARG 23 OK 90 100 - 90 - 3.7=68, 455/3.0=14...(18) HB3 LYS 26 - HD2 ARG 23 OK 25 96 - 27 - 455/3.0=4, 428/3.7=4...(12) HB3 LYS 26 - HD3 ARG 23 OK 25 96 - 27 - 455/3.0=4, 428/3.7=4...(12) HB3 LYS 24 - HD2 ARG 23 poor 9 65 - 15 - 455/3.0=2, 446/3.0=2...(9) HB3 LYS 24 - HD3 ARG 23 poor 9 65 - 15 - 455/3.0=2, 446/3.0=2...(9) HB2 LEU 100 - HD3 ARG 23 lone 5 100 - 5 - 455/3.0=1 HB2 LEU 100 - HD2 ARG 23 lone 5 100 - 5 - 455/3.0=1 HB3 LEU 123 - HD3 ARG 23 lone 4 79 - 5 - HB3 LEU 123 - HD2 ARG 23 lone 4 79 - 5 - HB ILE 32 - HD2 ARG 23 lone 3 92 - 4 - HB ILE 32 - HD3 ARG 23 lone 3 92 - 4 - HB VAL 93 - HD2 ARG 23 lone 2 92 - 2 - HB VAL 93 - HD3 ARG 23 lone 2 92 - 2 - HB3 ARG 135 - HD2 ARG 23 lone 2 92 - 2 - HB3 ARG 135 - HD3 ARG 23 lone 2 92 - 2 - HB2 LYS 36 - HD2 ARG 23 lone 2 87 - 2 - HB2 LYS 36 - HD3 ARG 23 lone 2 87 - 2 - Peak 474 from cnoeabs.peaks (1.57, 3.17, 43.21 ppm; 3.08 A): 2 out of 8 assignments used, quality = 1.00: * HG2 ARG 23 + HD3 ARG 23 OK 100 100 - 100 - 3.0=100 HG2 ARG 23 + HD2 ARG 23 OK 100 100 - 100 - 3.0=100 HG LEU 49 - HD3 ARG 23 OK 32 98 - 33 - 456/3.0=5, 429/3.7=5...(16) HG LEU 49 - HD2 ARG 23 OK 32 98 - 33 - 456/3.0=5, 429/3.7=5...(16) HB2 LEU 103 - HD3 ARG 23 OK 14 99 - 14 - 438/3.7=2, 429/3.7=2...(7) HB2 LEU 103 - HD2 ARG 23 OK 14 99 - 14 - 438/3.7=2, 429/3.7=2...(7) HG LEU 123 - HD3 ARG 23 lone 4 73 - 5 - HG LEU 123 - HD2 ARG 23 lone 4 73 - 5 - Peak 475 from cnoeabs.peaks (1.63, 3.17, 43.21 ppm; 3.08 A): 2 out of 8 assignments used, quality = 1.00: HG3 ARG 23 + HD2 ARG 23 OK 100 100 - 100 - 3.0=100 * HG3 ARG 23 + HD3 ARG 23 OK 100 100 - 100 - 3.0=100 HG LEU 119 - HD2 ARG 23 OK 26 96 - 27 - 448/3.0=4, 430/3.7=4...(13) HG LEU 119 - HD3 ARG 23 OK 26 96 - 27 - 448/3.0=4, 430/3.7=4...(13) HB3 LEU 22 - HD2 ARG 23 OK 15 65 - 23 - 4.6/6208=4, 430/3.7=3...(7) HB3 LEU 22 - HD3 ARG 23 OK 15 65 - 23 - 4.6/6208=4, 430/3.7=3...(7) HG LEU 22 - HD2 ARG 23 OK 10 65 - 15 - 430/3.7=2, 439/3.7=2...(6) HG LEU 22 - HD3 ARG 23 OK 10 65 - 15 - 430/3.7=2, 439/3.7=2...(6) Peak 476 from cnoeabs.peaks (3.17, 3.17, 43.21 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 ARG 23 + HD3 ARG 23 OK 100 100 - 100 HD2 ARG 23 + HD2 ARG 23 OK 100 100 - 100 Reference assignment not found: HD2 ARG 23 - HD3 ARG 23 Peak 477 from cnoeabs.peaks (3.17, 3.17, 43.21 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 ARG 23 + HD3 ARG 23 OK 100 100 - 100 HD2 ARG 23 + HD2 ARG 23 OK 100 100 - 100 Peak 479 from cnoeabs.peaks (8.37, 4.33, 56.43 ppm; 2.71 A): 2 out of 4 assignments used, quality = 0.92: * H LYS 24 + HA LYS 24 OK 88 100 - 88 - 3.0=78, 6228/3.6=14...(11) H LYS 26 + HA LYS 24 OK 38 100 - 38 - 6245/3.6=15, 6250/3.0=5...(8) H GLY 14 - HA LYS 24 lone 2 98 - 2 - H HIS 3 - HA LYS 24 lone 0 57 - 0 - Peak 480 from cnoeabs.peaks (4.33, 4.33, 56.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 24 + HA LYS 24 OK 100 100 - 100 Peak 481 from cnoeabs.peaks (1.75, 4.33, 56.43 ppm; 2.98 A): 3 out of 6 assignments used, quality = 1.00: * HB2 LYS 24 + HA LYS 24 OK 100 100 - 100 - 3.0=100 HB2 LYS 26 + HA LYS 24 OK 58 98 - 59 - 491=10, 3.0/483=8...(22) HB2 LYS 31 + HA LYS 24 OK 47 96 - 49 - 1.8/502=6, 491=6...(17) HB2 LYS 19 - HA LYS 24 OK 44 98 - 45 - 491=7, 3.0/524=6...(15) HB2 ARG 23 - HA LYS 24 OK 28 73 - 39 - 4.2/6219=14, ~6214=4...(11) HG13 ILE 129 - HA LYS 24 lone 2 98 - 2 - Peak 482 from cnoeabs.peaks (1.81, 4.33, 56.43 ppm; 2.75 A): 2 out of 11 assignments used, quality = 0.97: * HB3 LYS 24 + HA LYS 24 OK 94 100 - 94 - 3.0=81, 1.8/491=15...(21) HB3 LYS 26 + HA LYS 24 OK 48 92 - 52 - 502=7, 1.8/491=7...(19) HB3 LYS 31 - HA LYS 24 OK 42 99 - 42 - 502=8, 1.8/481=5...(16) HB3 LYS 19 - HA LYS 24 OK 40 99 - 40 - 502=8, 3.0/524=5...(15) HB3 ARG 23 - HA LYS 24 OK 22 65 - 33 - 4.2/6219=12, ~6213=3...(9) HB2 LYS 36 - HA LYS 24 OK 11 98 - 11 - 3.0/483=2, 988/4.1=1 HB ILE 32 - HA LYS 24 lone 9 96 - 9 - ~10738=1 HB2 LEU 100 - HA LYS 24 lone 4 73 - 6 - 1.8/483=1 HB3 LEU 123 - HA LYS 24 lone 1 64 - 2 - HB3 ARG 135 - HA LYS 24 lone 1 96 - 1 - HB2 ARG 84 - HA LYS 24 lone 1 92 - 1 - Peak 483 from cnoeabs.peaks (1.38, 4.33, 56.43 ppm; 2.95 A): 3 out of 14 assignments used, quality = 0.93: * HG2 LYS 24 + HA LYS 24 OK 81 100 - 81 - 4.1=37, 1.8/524=14...(26) HG3 LYS 26 + HA LYS 24 OK 58 99 - 59 - 513=11, 6222/3.0=6...(22) HG2 LYS 36 + HA LYS 24 OK 14 100 - 14 - 1008/3.0=2, 6222/3.0=1...(4) HB3 LEU 100 - HA LYS 24 lone 7 100 - 7 - 6234/3.6=2, 3243/3.0=1 QB ALA 15 - HA LYS 24 lone 5 98 - 5 - ~6115=1, 6222/3.0=1 QB ALA 29 - HA LYS 24 lone 4 100 - 4 - ~6211=1 HG3 LYS 95 - HA LYS 24 lone 3 87 - 3 - HG2 LYS 95 - HA LYS 24 lone 2 73 - 3 - QB ALA 28 - HA LYS 24 lone 2 96 - 2 - HB2 LEU 96 - HA LYS 24 lone 1 100 - 1 - QB ALA 110 - HA LYS 24 lone 1 98 - 1 - HB2 LEU 42 - HA LYS 24 lone 1 100 - 1 - QB ALA 108 - HA LYS 24 lone 1 92 - 1 - QB ALA 109 - HA LYS 24 lone 0 65 - 1 - Peak 484 from cnoeabs.peaks (1.45, 4.33, 56.43 ppm; 3.37 A): 3 out of 4 assignments used, quality = 0.98: * HG3 LYS 24 + HA LYS 24 OK 91 100 - 91 - 4.1=55, 1.8/513=22...(27) HG3 LYS 19 + HA LYS 24 OK 56 99 - 57 - 524=14, 6223/3.0=6...(17) HG2 LYS 31 + HA LYS 24 OK 52 96 - 55 - 6223/3.0=6, 823/3.0=6...(18) HG13 ILE 32 - HA LYS 24 OK 11 81 - 14 - ~10738=3, 921/3.0=2...(6) Peak 485 from cnoeabs.peaks (1.66, 4.33, 56.43 ppm; 3.22 A): 6 out of 15 assignments used, quality = 1.00: * HD2 LYS 24 + HA LYS 24 OK 82 100 - 82 - 5.4=21, 3.0/513=15...(34) HD3 LYS 24 + HA LYS 24 OK 82 100 - 82 - 5.4=21, 3.0/513=15...(35) HD2 LYS 26 + HA LYS 24 OK 60 100 - 60 - 2.9/483=9, 535=7...(21) HD3 LYS 26 + HA LYS 24 OK 58 98 - 59 - 2.9/483=9, 546=6...(21) HD2 LYS 31 + HA LYS 24 OK 56 100 - 56 - 535=6, 2.9/484=6...(16) HD3 LYS 31 + HA LYS 24 OK 56 100 - 56 - 535=6, 2.9/484=6...(16) HD3 LYS 36 - HA LYS 24 OK 10 65 - 16 - 3.0/483=2 HD2 LYS 36 - HA LYS 24 OK 10 65 - 16 - 3.0/483=2 HB2 LEU 69 - HA LYS 24 poor 8 73 - 11 - 1.8/2192=2, 3.2/2208=2...(5) HD3 LYS 95 - HA LYS 24 lone 3 99 - 3 - HD3 LYS 86 - HA LYS 24 lone 3 99 - 3 - HD2 LYS 86 - HA LYS 24 lone 3 99 - 3 - HD2 LYS 95 - HA LYS 24 lone 2 81 - 3 - QB ALA 88 - HA LYS 24 lone 1 100 - 1 - HB2 LEU 98 - HA LYS 24 lone 1 65 - 1 - Peak 486 from cnoeabs.peaks (1.66, 4.33, 56.43 ppm; 3.22 A): 6 out of 13 assignments used, quality = 1.00: HD2 LYS 24 + HA LYS 24 OK 82 100 - 82 - 5.4=21, 3.0/513=15...(34) * HD3 LYS 24 + HA LYS 24 OK 82 100 - 82 - 5.4=21, 3.0/513=15...(35) HD2 LYS 26 + HA LYS 24 OK 60 100 - 60 - 2.9/483=9, 535=7...(21) HD3 LYS 26 + HA LYS 24 OK 59 99 - 59 - 2.9/483=9, 546=6...(21) HD2 LYS 31 + HA LYS 24 OK 56 100 - 56 - 535=6, 2.9/484=6...(16) HD3 LYS 31 + HA LYS 24 OK 56 100 - 56 - 535=6, 2.9/484=6...(16) HB2 LEU 69 - HA LYS 24 poor 7 65 - 10 - 1.8/2192=2, 3.2/2208=2...(5) HD3 LYS 95 - HA LYS 24 lone 4 100 - 3 - HD3 LYS 86 - HA LYS 24 lone 3 100 - 3 - HD2 LYS 86 - HA LYS 24 lone 3 100 - 3 - HD2 LYS 95 - HA LYS 24 lone 3 87 - 3 - HB2 LEU 98 - HA LYS 24 lone 1 73 - 1 - QB ALA 88 - HA LYS 24 lone 1 100 - 1 - Peak 489 from cnoeabs.peaks (8.10, 4.33, 56.43 ppm; 3.31 A): 1 out of 1 assignment used, quality = 0.92: * H THR 25 + HA LYS 24 OK 92 100 - 92 - 3.6=80, 6228/3.0=27...(12) Peak 490 from cnoeabs.peaks (8.37, 1.75, 32.73 ppm; 2.74 A): 4 out of 16 assignments used, quality = 0.96: * H LYS 24 + HB2 LYS 24 OK 71 100 - 71 - 4.1=30, 6219/3.0=22...(15) H LYS 26 + HB2 LYS 26 OK 59 86 - 69 - 4.0=31, 6249/3.0=13...(17) H LYS 26 + HB2 LYS 24 OK 48 100 - 48 - 6250=11, 6245/4.7=9...(14) H LYS 24 + HB2 LYS 26 OK 40 87 - 46 - 6220=10, 615/1.8=8...(14) H LYS 26 - HB2 LYS 19 OK 24 76 - 31 - 6250=7, 6249/3.0=4...(11) H LYS 24 - HB2 LYS 19 OK 22 77 - 28 - 6220=6, 6223/3.0=4...(10) H LYS 26 - HB2 LYS 31 OK 17 57 - 30 - 6250=5, 6251/1.8=3...(11) H LYS 24 - HB2 LYS 31 OK 16 57 - 27 - 6220=6, 6223/3.0=4...(9) H GLY 14 - HB2 LYS 24 lone 3 98 - 2 - H GLY 14 - HB2 LYS 26 lone 2 82 - 3 - H GLY 14 - HB2 LYS 19 lone 2 72 - 2 - H GLY 14 - HB2 LYS 31 lone 1 54 - 1 - H HIS 3 - HB2 LYS 24 lone 0 57 - 0 - H HIS 3 - HB2 LYS 26 lone 0 43 - 0 - H HIS 3 - HB2 LYS 19 lone 0 37 - 0 - H HIS 3 - HB2 LYS 31 lone 0 26 - 0 - Peak 491 from cnoeabs.peaks (4.33, 1.75, 32.73 ppm; 2.73 A): 2 out of 20 assignments used, quality = 0.96: * HA LYS 24 + HB2 LYS 24 OK 93 100 - 93 - 3.0=79, 502/1.8=16...(21) HA LYS 24 + HB2 LYS 26 OK 44 87 - 51 - 481=8, 483/3.0=6...(19) HA LYS 24 - HB2 LYS 19 OK 29 77 - 38 - 481=6, 502/1.8=5...(13) HA LYS 24 - HB2 LYS 31 OK 24 57 - 41 - 481=6, 502/1.8=5...(14) HA LEU 69 - HB2 LYS 24 lone 6 96 - 6 - HA ASN 59 - HB2 LYS 24 lone 5 100 - 5 - HA PRO 81 - HB2 LYS 24 lone 2 99 - 2 - HA ASN 59 - HB2 LYS 31 lone 2 57 - 3 - 9359/3.0=1 HA ASN 59 - HB2 LYS 26 lone 1 86 - 1 - HA LEU 69 - HB2 LYS 31 lone 1 51 - 2 - HA LEU 69 - HB2 LYS 26 lone 1 79 - 1 - HA PRO 81 - HB2 LYS 26 lone 1 85 - 1 - HA ASP 47 - HB2 LYS 24 lone 1 73 - 1 - HA ASN 59 - HB2 LYS 19 lone 1 76 - 1 - HA LEU 69 - HB2 LYS 19 lone 0 69 - 1 - HA PRO 81 - HB2 LYS 19 lone 0 75 - 0 - HA PRO 81 - HB2 LYS 31 lone 0 56 - 0 - HA ASP 47 - HB2 LYS 26 lone 0 57 - 0 - HA ASP 47 - HB2 LYS 19 lone 0 49 - 0 - HA ASP 47 - HB2 LYS 31 lone 0 35 - 0 - Peak 492 from cnoeabs.peaks (1.75, 1.75, 32.73 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB2 LYS 24 + HB2 LYS 24 OK 100 100 - 100 HB2 LYS 26 + HB2 LYS 26 OK 82 82 - 100 HB2 LYS 19 + HB2 LYS 19 OK 72 72 - 100 HB2 LYS 31 + HB2 LYS 31 OK 51 51 - 100 Peak 493 from cnoeabs.peaks (1.81, 1.75, 32.73 ppm; 2.50 A): 4 out of 44 assignments used, quality = 1.00: * HB3 LYS 24 + HB2 LYS 24 OK 100 100 - 100 - 1.8=100 HB3 LYS 19 + HB2 LYS 19 OK 75 75 - 100 - 1.8=100 HB3 LYS 26 + HB2 LYS 26 OK 75 75 - 100 - 1.8=100 HB3 LYS 31 + HB2 LYS 31 OK 56 56 - 100 - 1.8=100 HB3 LYS 31 - HB2 LYS 24 OK 43 99 - 43 - 812=3, 3.0/790=3...(14) HB3 LYS 19 - HB2 LYS 24 OK 42 99 - 42 - 3.0/272=4, 261=3...(18) HB3 LYS 26 - HB2 LYS 24 OK 41 92 - 45 - 617=5, 3.0/628=3...(16) HB3 LYS 24 - HB2 LYS 26 OK 35 87 - 41 - 3.0/491=4, 503=3...(18) HB3 LYS 31 - HB2 LYS 26 OK 33 85 - 39 - 261=3, 3.0/823=2...(13) HB3 LYS 24 - HB2 LYS 19 OK 32 77 - 42 - 263/3.0=4, 503=3...(19) HB3 LYS 19 - HB2 LYS 26 OK 30 85 - 36 - 3.0/272=3, 261=3...(17) HB3 LYS 31 - HB2 LYS 19 OK 28 75 - 37 - 263/3.0=4, 261=3...(14) HB3 LYS 24 - HB2 LYS 31 OK 25 57 - 44 - 503=3, 835/3.0=3...(15) HB3 LYS 26 - HB2 LYS 19 OK 24 65 - 38 - 617=4, 3.0/628=3...(14) HB3 LYS 19 - HB2 LYS 31 OK 21 56 - 37 - 812=3, 835/3.0=2...(14) HB3 LYS 26 - HB2 LYS 31 OK 19 48 - 40 - 617=3, 3.0/628=3...(14) HB ILE 32 - HB2 LYS 19 OK 16 69 - 22 - ~10831=3, 2.9/10738=2...(7) HB ILE 32 - HB2 LYS 26 OK 15 79 - 19 - 2.9/10738=3, 900/3.0=2...(6) HB2 LYS 36 - HB2 LYS 24 OK 15 98 - 15 - 988/2.9=2, ~997=1, ~999=1 HB ILE 32 - HB2 LYS 31 OK 15 51 - 29 - 895/4.6=4, 902/4.0=3...(12) HB ILE 32 - HB2 LYS 24 OK 14 96 - 14 - 2.9/10738=2, 4.0/6343=1 HB2 LYS 36 - HB2 LYS 26 OK 12 82 - 15 - 988/3.0=1, ~997=1 HB3 ARG 23 - HB2 LYS 26 OK 11 50 - 22 - ~428=2, 436=2...(11) HB3 ARG 23 - HB2 LYS 24 OK 10 65 - 16 - 4.2/6220=3, 482/3.0=1...(5) HB2 LYS 36 - HB2 LYS 31 poor 10 54 - 19 - 791/3.0=2, ~997=1...(4) HB2 LYS 36 - HB2 LYS 19 lone 7 72 - 9 - HB2 LEU 100 - HB2 LYS 26 lone 5 57 - 9 - ~3243=1 HB2 LEU 100 - HB2 LYS 24 lone 5 73 - 6 - HB3 LEU 123 - HB2 LYS 26 lone 4 49 - 9 - 3.2/10748=3, ~10756=2 HB3 ARG 23 - HB2 LYS 19 lone 3 43 - 7 - 4.2/6220=1 HB3 LEU 123 - HB2 LYS 19 lone 3 42 - 6 - 3.2/10748=2 HB3 LEU 123 - HB2 LYS 24 lone 2 64 - 3 - HB3 ARG 135 - HB2 LYS 24 lone 1 96 - 2 - HB3 ARG 135 - HB2 LYS 26 lone 1 79 - 2 - HB2 ARG 84 - HB2 LYS 24 lone 1 92 - 1 - HB2 ARG 84 - HB2 LYS 19 lone 1 65 - 1 - HB3 ARG 135 - HB2 LYS 19 lone 1 69 - 1 - HB3 ARG 23 - HB2 LYS 31 lone 1 31 - 3 - 4.2/6220=1 HB3 ARG 135 - HB2 LYS 31 lone 1 51 - 1 - HB2 ARG 84 - HB2 LYS 31 lone 1 48 - 1 - HB2 LEU 100 - HB2 LYS 19 lone 0 49 - 1 - HB2 LEU 100 - HB2 LYS 31 lone 0 35 - 1 - HB3 LEU 123 - HB2 LYS 31 lone 0 30 - 1 - HB2 ARG 84 - HB2 LYS 26 lone 0 75 - 0 - Peak 494 from cnoeabs.peaks (1.38, 1.75, 32.73 ppm; 2.68 A): 3 out of 56 assignments used, quality = 0.99: * HG2 LYS 24 + HB2 LYS 24 OK 90 100 - 90 - 2.9=76, 513/3.0=10...(19) HG3 LYS 26 + HB2 LYS 26 OK 76 85 - 90 - 3.0=73, 1.8/628=9...(23) HG3 LYS 26 + HB2 LYS 24 OK 53 99 - 54 - 483/3.0=6, 1.8/628=6...(17) HG2 LYS 24 - HB2 LYS 26 OK 42 87 - 49 - 631/3.0=5, 620/1.8=4...(18) HG2 LYS 24 - HB2 LYS 19 OK 34 77 - 44 - 514=4, 517/3.0=4...(20) HG3 LYS 26 - HB2 LYS 19 OK 30 75 - 40 - 1.8/628=5, 639=4...(12) HG2 LYS 24 - HB2 LYS 31 OK 26 57 - 46 - 514=4, 517/3.0=3...(18) HG3 LYS 26 - HB2 LYS 31 OK 26 56 - 46 - 1.8/628=4, 639=4...(13) HG2 LYS 36 - HB2 LYS 24 OK 19 100 - 19 - 1008/1.8=3, 527/2.9=2...(6) HG2 LYS 36 - HB2 LYS 26 OK 15 86 - 18 - 1008/1.8=3, 1007/3.0=2...(5) HG2 LYS 36 - HB2 LYS 31 OK 11 57 - 19 - 1008/1.8=3, 1007/3.0=2...(5) HB3 LEU 100 - HB2 LYS 26 poor 10 87 - 11 - 3243/1.8=2 HG2 LYS 36 - HB2 LYS 19 poor 9 76 - 11 - 1008/1.8=1 QB ALA 15 - HB2 LYS 31 poor 8 54 - 16 - 10790/1.8=7, ~842=1, ~831=1 HB3 LEU 100 - HB2 LYS 24 lone 8 100 - 8 - 3243/1.8=1 HG3 LYS 95 - HB2 LYS 31 lone 4 44 - 9 - QB ALA 28 - HB2 LYS 26 lone 4 79 - 5 - 6265/4.5=2 HB2 LEU 96 - HB2 LYS 31 lone 4 57 - 6 - 3070/3.0=2, ~3079=1 HG3 LYS 95 - HB2 LYS 24 lone 3 87 - 4 - HG2 LYS 95 - HB2 LYS 31 lone 3 35 - 9 - QB ALA 15 - HB2 LYS 24 lone 3 98 - 3 - HG3 LYS 95 - HB2 LYS 26 lone 3 69 - 4 - QB ALA 29 - HB2 LYS 24 lone 3 100 - 3 - QB ALA 29 - HB2 LYS 26 lone 3 86 - 3 - HG2 LYS 95 - HB2 LYS 24 lone 3 73 - 3 - QB ALA 29 - HB2 LYS 31 lone 2 57 - 4 - 10790/1.8=2, ~10783=1 HG2 LYS 95 - HB2 LYS 26 lone 2 57 - 4 - HB2 LEU 96 - HB2 LYS 26 lone 2 86 - 2 - HB2 LEU 96 - HB2 LYS 24 lone 2 100 - 2 - QB ALA 28 - HB2 LYS 24 lone 2 96 - 2 - QB ALA 108 - HB2 LYS 31 lone 2 48 - 4 - HB2 LEU 42 - HB2 LYS 24 lone 2 100 - 2 - QB ALA 29 - HB2 LYS 19 lone 2 76 - 2 - QB ALA 15 - HB2 LYS 26 lone 1 82 - 2 - HB2 LEU 42 - HB2 LYS 26 lone 1 86 - 1 - QB ALA 28 - HB2 LYS 31 lone 1 51 - 2 - QB ALA 110 - HB2 LYS 31 lone 1 54 - 2 - QB ALA 15 - HB2 LYS 19 lone 1 72 - 1 - QB ALA 108 - HB2 LYS 26 lone 1 75 - 1 - QB ALA 110 - HB2 LYS 24 lone 1 98 - 1 - QB ALA 108 - HB2 LYS 24 lone 1 92 - 1 - HB3 LEU 100 - HB2 LYS 19 lone 1 77 - 1 - QB ALA 109 - HB2 LYS 31 lone 1 31 - 3 - QB ALA 28 - HB2 LYS 19 lone 1 69 - 1 - HG3 LYS 95 - HB2 LYS 19 lone 1 60 - 1 - QB ALA 110 - HB2 LYS 26 lone 1 82 - 1 - HG2 LYS 95 - HB2 LYS 19 lone 1 49 - 1 - HB3 LEU 100 - HB2 LYS 31 lone 1 57 - 1 - HB2 LEU 96 - HB2 LYS 19 lone 1 76 - 1 - QB ALA 110 - HB2 LYS 19 lone 0 72 - 1 - QB ALA 108 - HB2 LYS 19 lone 0 65 - 1 - QB ALA 109 - HB2 LYS 26 lone 0 50 - 1 - QB ALA 109 - HB2 LYS 24 lone 0 65 - 1 - HB2 LEU 42 - HB2 LYS 19 lone 0 76 - 0 - HB2 LEU 42 - HB2 LYS 31 lone 0 57 - 0 - QB ALA 109 - HB2 LYS 19 lone 0 43 - 0 - Peak 495 from cnoeabs.peaks (1.45, 1.75, 32.73 ppm; 2.86 A): 6 out of 16 assignments used, quality = 1.00: * HG3 LYS 24 + HB2 LYS 24 OK 98 100 - 98 - 2.9=93, 524/3.0=10...(25) HG3 LYS 19 + HB2 LYS 19 OK 73 75 - 97 - 3.0=90, 1.8/272=12...(39) HG3 LYS 19 + HB2 LYS 24 OK 57 99 - 57 - 1.8/272=7, 524/3.0=6...(21) HG2 LYS 31 + HB2 LYS 24 OK 53 96 - 56 - 823=6, 1.8/834=5...(18) HG2 LYS 31 + HB2 LYS 31 OK 49 51 - 96 - 3.0=90, 3.8/790=7...(22) HG3 LYS 24 + HB2 LYS 26 OK 46 87 - 54 - 283=5, 527/3.0=4...(22) HG3 LYS 24 - HB2 LYS 19 OK 41 77 - 54 - 285/3.0=7, 283=5...(22) HG2 LYS 31 - HB2 LYS 26 OK 40 79 - 50 - 823=5, 1.8/834=4...(17) HG3 LYS 19 - HB2 LYS 26 OK 39 85 - 46 - 1.8/272=6, 283=4, ~241=3...(16) HG2 LYS 31 - HB2 LYS 19 OK 33 69 - 47 - 275/3.0=4, 823=4...(19) HG3 LYS 24 - HB2 LYS 31 OK 31 57 - 54 - 525=4, 836/3.0=4...(22) HG3 LYS 19 - HB2 LYS 31 OK 27 56 - 48 - 1.8/272=5, ~263=4, 283=4...(18) HG13 ILE 32 - HB2 LYS 26 OK 15 63 - 24 - 1.8/10738=4, 921/1.8=3...(10) HG13 ILE 32 - HB2 LYS 24 OK 14 81 - 17 - 1.8/10738=3, 921/1.8=2...(6) HG13 ILE 32 - HB2 LYS 19 OK 14 55 - 25 - 1.8/10738=4, 275/3.0=2...(12) HG13 ILE 32 - HB2 LYS 31 OK 13 39 - 33 - 919/4.6=4, 1.8/10738=4...(14) Peak 496 from cnoeabs.peaks (1.66, 1.75, 32.73 ppm; 2.92 A): 12 out of 60 assignments used, quality = 1.00: * HD2 LYS 24 + HB2 LYS 24 OK 86 100 - 86 - 3.5=56, 3.0/494=4...(47) HD3 LYS 24 + HB2 LYS 24 OK 86 100 - 86 - 3.5=56, 3.0/494=4...(48) HD2 LYS 26 + HB2 LYS 26 OK 74 86 - 86 - 3.5=57, 2.9/628=8...(39) HD3 LYS 26 + HB2 LYS 26 OK 71 82 - 86 - 3.5=57, 2.9/628=8...(39) HD2 LYS 31 + HB2 LYS 24 OK 58 100 - 58 - 2.9/823=4, 2.9/834=4...(19) HD3 LYS 31 + HB2 LYS 24 OK 58 100 - 58 - 2.9/823=4, 2.9/834=4...(19) HD2 LYS 26 + HB2 LYS 24 OK 54 100 - 54 - 2.9/628=5, 2.9/639=3...(25) HD3 LYS 26 + HB2 LYS 24 OK 52 98 - 53 - 2.9/628=5, 2.9/639=3...(25) HD2 LYS 31 + HB2 LYS 26 OK 50 87 - 59 - 2.9/834=3, 2.9/823=3...(19) HD3 LYS 31 + HB2 LYS 26 OK 50 86 - 58 - 2.9/834=3, 2.9/823=3...(19) HD2 LYS 31 + HB2 LYS 31 OK 50 57 - 87 - 3.5=58, 839/3.0=6...(42) HD3 LYS 31 + HB2 LYS 31 OK 49 57 - 87 - 3.5=58, 839/3.0=6...(40) HD2 LYS 24 - HB2 LYS 26 OK 43 87 - 51 - 621/1.8=3, 3.0/514=3...(21) HD3 LYS 24 - HB2 LYS 26 OK 43 86 - 50 - 621/1.8=3, 3.0/514=3...(21) HD3 LYS 31 - HB2 LYS 19 OK 35 76 - 46 - 2.9/823=3, 2.9/834=3...(13) HD2 LYS 31 - HB2 LYS 19 OK 35 77 - 45 - 2.9/823=3, 2.9/834=3...(13) HD3 LYS 24 - HB2 LYS 19 OK 34 76 - 45 - 3.0/514=3, 3.0/283=2...(15) HD2 LYS 24 - HB2 LYS 19 OK 34 77 - 44 - 3.0/514=3, 3.0/283=2...(15) HD2 LYS 26 - HB2 LYS 31 OK 31 57 - 55 - 2.9/628=4, 839/3.0=3...(25) HD2 LYS 26 - HB2 LYS 19 OK 31 76 - 41 - 2.9/628=4, 2.9/639=2...(10) HD3 LYS 24 - HB2 LYS 31 OK 30 57 - 53 - 839/3.0=3, 3.0/514=3...(22) HD2 LYS 24 - HB2 LYS 31 OK 30 57 - 52 - 839/3.0=3, 3.0/514=3...(22) HD3 LYS 26 - HB2 LYS 31 OK 29 54 - 55 - 2.9/628=4, 839/3.0=3...(23) HD3 LYS 26 - HB2 LYS 19 OK 27 72 - 38 - 2.9/628=4, 2.9/639=2...(10) HD3 LYS 36 - HB2 LYS 24 OK 14 65 - 21 - ~1008=1, ~1019=1 HD2 LYS 36 - HB2 LYS 24 OK 14 65 - 21 - ~1008=1, ~1019=1 HD3 LYS 36 - HB2 LYS 26 poor 9 50 - 17 - ~1008=1, ~1019=1 HD2 LYS 36 - HB2 LYS 26 poor 9 50 - 17 - ~1008=1, ~1019=1 HD3 LYS 36 - HB2 LYS 31 poor 7 31 - 24 - ~1019=1, ~1008=1 HD2 LYS 36 - HB2 LYS 31 poor 7 31 - 24 - ~1019=1, ~1008=1 HD3 LYS 36 - HB2 LYS 19 poor 7 43 - 15 - HD2 LYS 36 - HB2 LYS 19 poor 7 43 - 15 - HD3 LYS 95 - HB2 LYS 31 poor 6 56 - 11 - HD2 LYS 86 - HB2 LYS 24 lone 5 99 - 5 - HD3 LYS 86 - HB2 LYS 24 lone 5 99 - 5 - HD3 LYS 86 - HB2 LYS 31 lone 4 56 - 7 - HD2 LYS 86 - HB2 LYS 31 lone 4 56 - 7 - HB2 LEU 69 - HB2 LYS 24 lone 4 73 - 6 - HD3 LYS 95 - HB2 LYS 24 lone 4 99 - 4 - HD2 LYS 95 - HB2 LYS 31 poor 4 39 - 10 - HD3 LYS 95 - HB2 LYS 26 lone 4 85 - 4 - HD3 LYS 86 - HB2 LYS 26 lone 3 85 - 3 - HD2 LYS 86 - HB2 LYS 26 lone 3 85 - 3 - HD2 LYS 95 - HB2 LYS 24 lone 3 81 - 3 - HD2 LYS 86 - HB2 LYS 19 lone 3 75 - 4 - HD3 LYS 86 - HB2 LYS 19 lone 3 75 - 4 - HD2 LYS 95 - HB2 LYS 26 lone 3 63 - 4 - HB2 LEU 69 - HB2 LYS 31 lone 1 35 - 4 - QB ALA 88 - HB2 LYS 26 lone 1 87 - 1 - HD3 LYS 95 - HB2 LYS 19 lone 1 75 - 1 - QB ALA 88 - HB2 LYS 24 lone 1 100 - 1 - QB ALA 88 - HB2 LYS 19 lone 1 77 - 1 - HB2 LEU 98 - HB2 LYS 26 lone 1 50 - 1 - HD2 LYS 95 - HB2 LYS 19 lone 1 55 - 1 - HB2 LEU 98 - HB2 LYS 24 lone 1 65 - 1 - HB2 LEU 98 - HB2 LYS 19 lone 1 43 - 1 - HB2 LEU 98 - HB2 LYS 31 lone 1 31 - 2 - QB ALA 88 - HB2 LYS 31 lone 1 57 - 1 - HB2 LEU 69 - HB2 LYS 26 lone 0 57 - 1 - HB2 LEU 69 - HB2 LYS 19 lone 0 49 - 1 - Peak 497 from cnoeabs.peaks (1.66, 1.75, 32.73 ppm; 2.92 A): 12 out of 52 assignments used, quality = 1.00: * HD3 LYS 24 + HB2 LYS 24 OK 86 100 - 86 - 3.5=56, 3.0/494=4...(48) HD2 LYS 24 + HB2 LYS 24 OK 86 100 - 86 - 3.5=56, 3.0/494=4...(47) HD2 LYS 26 + HB2 LYS 26 OK 75 87 - 86 - 3.5=57, 2.9/628=8...(39) HD3 LYS 26 + HB2 LYS 26 OK 73 85 - 86 - 3.5=57, 2.9/628=8...(39) HD2 LYS 31 + HB2 LYS 24 OK 58 100 - 58 - 2.9/823=4, 2.9/834=4...(19) HD3 LYS 31 + HB2 LYS 24 OK 58 100 - 58 - 2.9/823=4, 2.9/834=4...(19) HD2 LYS 26 + HB2 LYS 24 OK 54 100 - 54 - 2.9/628=5, 2.9/639=3...(25) HD3 LYS 26 + HB2 LYS 24 OK 53 99 - 53 - 2.9/628=5, 2.9/639=3...(25) HD3 LYS 31 + HB2 LYS 26 OK 50 87 - 58 - 2.9/834=3, 2.9/823=3...(19) HD2 LYS 31 + HB2 LYS 26 OK 50 86 - 59 - 2.9/834=3, 2.9/823=3...(19) HD3 LYS 31 + HB2 LYS 31 OK 50 57 - 87 - 3.5=58, 839/3.0=6...(40) HD2 LYS 31 + HB2 LYS 31 OK 49 57 - 87 - 3.5=58, 839/3.0=6...(42) HD3 LYS 24 - HB2 LYS 26 OK 43 87 - 50 - 621/1.8=3, 3.0/514=3...(21) HD2 LYS 24 - HB2 LYS 26 OK 43 86 - 51 - 621/1.8=3, 3.0/514=3...(21) HD3 LYS 31 - HB2 LYS 19 OK 35 77 - 46 - 2.9/823=3, 2.9/834=3...(13) HD2 LYS 31 - HB2 LYS 19 OK 35 76 - 45 - 2.9/823=3, 2.9/834=3...(13) HD3 LYS 24 - HB2 LYS 19 OK 34 77 - 45 - 3.0/514=3, 3.0/283=2...(15) HD2 LYS 24 - HB2 LYS 19 OK 34 76 - 44 - 3.0/514=3, 3.0/283=2...(15) HD2 LYS 26 - HB2 LYS 31 OK 32 57 - 55 - 2.9/628=4, 839/3.0=3...(25) HD2 LYS 26 - HB2 LYS 19 OK 31 77 - 41 - 2.9/628=4, 2.9/639=2...(10) HD3 LYS 26 - HB2 LYS 31 OK 30 56 - 55 - 2.9/628=4, 839/3.0=3...(23) HD3 LYS 24 - HB2 LYS 31 OK 30 57 - 53 - 839/3.0=3, 3.0/514=3...(22) HD2 LYS 24 - HB2 LYS 31 OK 30 57 - 52 - 839/3.0=3, 3.0/514=3...(22) HD3 LYS 26 - HB2 LYS 19 OK 28 75 - 38 - 2.9/628=4, 2.9/639=2...(10) HD3 LYS 95 - HB2 LYS 31 poor 6 57 - 11 - HD2 LYS 86 - HB2 LYS 24 lone 5 100 - 5 - HD3 LYS 86 - HB2 LYS 24 lone 5 100 - 5 - HD2 LYS 95 - HB2 LYS 31 poor 4 44 - 10 - HD3 LYS 86 - HB2 LYS 31 lone 4 57 - 7 - HD2 LYS 86 - HB2 LYS 31 lone 4 57 - 7 - HD3 LYS 95 - HB2 LYS 24 lone 4 100 - 4 - HD3 LYS 95 - HB2 LYS 26 lone 4 86 - 4 - HB2 LEU 69 - HB2 LYS 24 lone 4 65 - 6 - HD2 LYS 95 - HB2 LYS 24 lone 3 87 - 3 - HD2 LYS 86 - HB2 LYS 26 lone 3 86 - 3 - HD3 LYS 86 - HB2 LYS 26 lone 3 86 - 3 - HD2 LYS 95 - HB2 LYS 26 lone 3 69 - 4 - HD2 LYS 86 - HB2 LYS 19 lone 3 76 - 4 - HD3 LYS 86 - HB2 LYS 19 lone 3 76 - 4 - HD3 LYS 95 - HB2 LYS 19 lone 1 76 - 1 - QB ALA 88 - HB2 LYS 26 lone 1 86 - 1 - HB2 LEU 69 - HB2 LYS 31 lone 1 31 - 4 - HB2 LEU 98 - HB2 LYS 26 lone 1 57 - 1 - QB ALA 88 - HB2 LYS 24 lone 1 100 - 1 - HB2 LEU 98 - HB2 LYS 19 lone 1 49 - 2 - HB2 LEU 98 - HB2 LYS 24 lone 1 73 - 1 - QB ALA 88 - HB2 LYS 19 lone 1 76 - 1 - HD2 LYS 95 - HB2 LYS 19 lone 1 60 - 1 - HB2 LEU 98 - HB2 LYS 31 lone 1 35 - 2 - QB ALA 88 - HB2 LYS 31 lone 1 57 - 1 - HB2 LEU 69 - HB2 LYS 26 lone 0 50 - 1 - HB2 LEU 69 - HB2 LYS 19 lone 0 43 - 1 - Peak 498 from cnoeabs.peaks (2.96, 1.75, 32.73 ppm; 3.96 A): 6 out of 32 assignments used, quality = 1.00: * HE2 LYS 24 + HB2 LYS 24 OK 88 100 - 88 - 5.1=48, 561/2.9=7...(68) HE3 LYS 24 + HB2 LYS 24 OK 75 87 - 86 - 5.1=48, 1.8/558=7...(55) HE2 LYS 19 + HB2 LYS 19 OK 67 72 - 93 - 5.1=47, 318/3.0=16...(53) HE2 LYS 19 + HB2 LYS 24 OK 60 98 - 61 - 3.8/272=7, 2.9/305=4...(37) HE2 LYS 24 + HB2 LYS 26 OK 48 87 - 56 - 558=4, 4.0/514=4...(28) HE2 LYS 24 + HB2 LYS 19 OK 45 77 - 59 - 318/3.0=7, 558=4, ~318=4...(25) HE2 LYS 19 - HB2 LYS 26 OK 44 82 - 53 - 3.8/272=6, 2.9/305=4...(26) HE3 LYS 19 - HB2 LYS 19 OK 40 43 - 92 - 5.1=47, 3.8/272=12...(50) HE3 LYS 19 - HB2 LYS 24 OK 39 65 - 59 - 3.8/272=7, 2.9/305=4...(36) HE2 LYS 31 - HB2 LYS 24 OK 38 65 - 58 - 3.7/823=6, 3.7/834=6...(36) HE2 LYS 24 - HB2 LYS 31 OK 36 57 - 63 - 558=5, 561/3.0=4...(30) HE2 LYS 36 - HB2 LYS 24 OK 34 99 - 34 - 520/2.9=3, 558=2...(11) HE3 LYS 24 - HB2 LYS 26 OK 33 69 - 48 - 1.8/558=4, 4.0/514=4...(24) HE3 LYS 24 - HB2 LYS 19 OK 33 60 - 54 - 318/3.0=6, ~318=4...(26) HE2 LYS 31 - HB2 LYS 26 OK 31 50 - 62 - 3.7/834=5, 3.7/823=5...(36) HE2 LYS 19 - HB2 LYS 31 OK 30 54 - 56 - 3.8/272=5, 558=4...(26) HE3 LYS 36 - HB2 LYS 24 OK 29 87 - 33 - 520/2.9=2, 1.8/558=2...(16) HE2 LYS 31 - HB2 LYS 31 OK 28 31 - 90 - 4.8=55, 6.5/790=5...(73) HE2 LYS 36 - HB2 LYS 19 OK 24 75 - 32 - 318/3.0=4, 558=2, ~318=2...(11) HE3 LYS 24 - HB2 LYS 31 OK 24 44 - 56 - 1.8/558=4, 4.0/514=4...(30) HE3 LYS 19 - HB2 LYS 26 OK 24 50 - 47 - 3.8/272=6, 2.9/305=4...(25) HE2 LYS 31 - HB2 LYS 19 OK 21 43 - 49 - 3.7/823=5, 3.7/834=4...(17) HE2 LYS 36 - HB2 LYS 26 OK 21 85 - 24 - 558=2, 560/3.0=1...(5) HE2 LYS 36 - HB2 LYS 31 OK 19 56 - 34 - 558=2, 559/1.8=2...(9) HE3 LYS 36 - HB2 LYS 19 OK 18 60 - 30 - 318/3.0=3, ~318=2...(7) HE3 LYS 19 - HB2 LYS 31 OK 16 31 - 51 - 3.8/272=5, 1.8/558=3...(27) HE3 LYS 36 - HB2 LYS 26 OK 15 69 - 22 - 1.8/558=1, ~1041=1, ~1030=1 HE3 LYS 36 - HB2 LYS 31 OK 13 44 - 31 - 1.8/558=2, ~1041=1...(7) HE3 LYS 86 - HB2 LYS 24 lone 5 96 - 5 - HE3 LYS 86 - HB2 LYS 31 lone 4 51 - 7 - HE3 LYS 86 - HB2 LYS 19 lone 3 69 - 5 - HE3 LYS 86 - HB2 LYS 26 lone 3 79 - 3 - Peak 499 from cnoeabs.peaks (2.96, 1.75, 32.73 ppm; 3.96 A): 14 out of 44 assignments used, quality = 1.00: * HE3 LYS 24 + HB2 LYS 24 OK 86 100 - 86 - 5.1=48, 1.8/558=7...(55) HE2 LYS 24 + HB2 LYS 24 OK 76 87 - 87 - 5.1=48, 561/2.9=6...(68) HE2 LYS 19 + HB2 LYS 19 OK 67 72 - 93 - 5.1=47, 318/3.0=16...(53) HE3 LYS 19 + HB2 LYS 19 OK 67 72 - 92 - 5.1=47, 329/3.0=14...(50) HE3 LYS 26 + HB2 LYS 26 OK 63 69 - 91 - 4.8=56, 3.6/628=11...(62) HE2 LYS 26 + HB2 LYS 26 OK 63 69 - 91 - 4.8=56, 3.6/628=11...(62) HE3 LYS 19 + HB2 LYS 24 OK 58 98 - 60 - 3.8/272=7, 2.9/305=4...(36) HE2 LYS 19 + HB2 LYS 24 OK 58 98 - 59 - 3.8/272=7, 2.9/305=4...(35) HE2 LYS 31 + HB2 LYS 24 OK 57 98 - 59 - 3.7/823=6, 3.7/834=6...(36) HE3 LYS 31 + HB2 LYS 24 OK 53 87 - 61 - 3.7/823=6, 3.7/834=6...(37) HE2 LYS 31 + HB2 LYS 26 OK 52 82 - 64 - 3.7/834=5, 3.7/823=5...(38) HE3 LYS 26 + HB2 LYS 24 OK 50 87 - 58 - 3.6/628=7, 3.6/639=4...(34) HE2 LYS 26 + HB2 LYS 24 OK 50 87 - 58 - 3.6/628=7, 3.6/639=4...(34) HE2 LYS 31 + HB2 LYS 31 OK 49 54 - 91 - 4.8=55, 840/3.0=6...(73) HE3 LYS 31 - HB2 LYS 26 OK 45 69 - 65 - 3.7/834=5, 3.7/823=5...(38) HE2 LYS 19 - HB2 LYS 26 OK 44 82 - 53 - 3.8/272=6, 2.9/305=4...(27) HE3 LYS 24 - HB2 LYS 26 OK 43 87 - 50 - 1.8/558=4, 4.0/514=4...(25) HE3 LYS 24 - HB2 LYS 19 OK 42 77 - 55 - 318/3.0=6, ~318=4...(26) HE3 LYS 19 - HB2 LYS 26 OK 41 82 - 50 - 3.8/272=6, 2.9/305=4...(29) HE3 LYS 31 - HB2 LYS 31 OK 40 44 - 92 - 4.8=55, 840/3.0=6...(87) HE2 LYS 24 - HB2 LYS 26 OK 38 69 - 55 - 4.0/514=4, 558=3...(26) HE2 LYS 31 - HB2 LYS 19 OK 37 72 - 51 - 329/3.0=5, 3.7/823=5...(20) HE2 LYS 24 - HB2 LYS 19 OK 35 60 - 58 - 318/3.0=7, ~318=4, 558=3...(25) HE3 LYS 24 - HB2 LYS 31 OK 33 57 - 57 - 1.8/558=4, 4.0/514=4...(31) HE3 LYS 36 - HB2 LYS 24 OK 32 100 - 32 - 1.8/558=2, ~520=2...(15) HE2 LYS 26 - HB2 LYS 19 OK 32 60 - 53 - 3.6/628=5, 329/3.0=4...(27) HE3 LYS 26 - HB2 LYS 19 OK 32 60 - 53 - 3.6/628=5, 329/3.0=4...(27) HE3 LYS 31 - HB2 LYS 19 OK 32 60 - 52 - 3.7/823=5, 329/3.0=4...(15) HE2 LYS 36 - HB2 LYS 24 OK 31 96 - 32 - 520/2.9=2, 558=2...(11) HE2 LYS 19 - HB2 LYS 31 OK 30 54 - 56 - 3.8/272=5, 2.9/305=3...(24) HE3 LYS 26 - HB2 LYS 31 OK 29 44 - 67 - 3.6/628=5, 840/3.0=4...(39) HE2 LYS 26 - HB2 LYS 31 OK 29 44 - 67 - 3.6/628=5, 840/3.0=4...(39) HE3 LYS 19 - HB2 LYS 31 OK 29 54 - 53 - 3.8/272=5, 1.8/558=3...(29) HE2 LYS 24 - HB2 LYS 31 OK 27 44 - 62 - 558=4, 4.0/514=4...(31) HE3 LYS 36 - HB2 LYS 19 OK 23 77 - 30 - 318/3.0=3, ~318=2...(7) HE2 LYS 36 - HB2 LYS 19 OK 22 69 - 31 - 318/3.0=4, ~318=2, 558=2...(11) HE3 LYS 36 - HB2 LYS 26 OK 20 87 - 23 - 1.8/558=1, ~1041=1, ~1030=1 HE2 LYS 36 - HB2 LYS 26 OK 19 79 - 24 - 558=1, 560/3.0=1...(4) HE3 LYS 36 - HB2 LYS 31 OK 19 57 - 33 - 1.8/558=2, 840/3.0=2...(10) HE2 LYS 36 - HB2 LYS 31 OK 17 51 - 33 - 558=2, 559/1.8=1...(10) HE3 LYS 86 - HB2 LYS 24 lone 5 99 - 5 - HE3 LYS 86 - HB2 LYS 31 lone 4 56 - 8 - HE3 LYS 86 - HB2 LYS 19 lone 4 75 - 5 - HE3 LYS 86 - HB2 LYS 26 lone 3 85 - 3 - Peak 500 from cnoeabs.peaks (8.10, 1.75, 32.73 ppm; 3.58 A): 4 out of 4 assignments used, quality = 0.95: * H THR 25 + HB2 LYS 24 OK 85 100 - 85 - 4.7=46, 6231/3.0=32...(10) H THR 25 + HB2 LYS 26 OK 48 87 - 56 - 6245/4.0=23, 6232=12...(10) H THR 25 + HB2 LYS 19 OK 21 77 - 27 - 6232=6, 511/1.8=5...(7) H THR 25 + HB2 LYS 31 OK 17 57 - 30 - 6232=6, 511/1.8=5...(9) Peak 501 from cnoeabs.peaks (8.37, 1.81, 32.73 ppm; 2.82 A): 4 out of 16 assignments used, quality = 0.94: * H LYS 24 + HB3 LYS 24 OK 73 100 - 73 - 4.1=33, 6219/3.0=23...(13) H LYS 26 + HB3 LYS 24 OK 47 100 - 47 - 6245/4.7=10, 6250/1.8=8...(12) H LYS 26 + HB3 LYS 26 OK 41 57 - 72 - 4.0=34, 6249/3.0=14...(17) H LYS 26 + HB3 LYS 19 OK 26 86 - 30 - 6250/1.8=5, 6249/3.0=4...(10) H LYS 24 - HB3 LYS 26 OK 25 57 - 45 - 6221=8, 6213/1.8=7...(14) H LYS 24 - HB3 LYS 19 OK 24 86 - 28 - 6221=5, 6213/1.8=4...(10) H LYS 26 - HB3 LYS 31 OK 23 79 - 30 - 6251=4, 6250/1.8=4...(11) H LYS 24 - HB3 LYS 31 OK 22 79 - 28 - 6221=5, 6223/3.0=4...(9) H GLY 14 - HB3 LYS 24 lone 3 98 - 3 - H GLY 14 - HB3 LYS 19 lone 2 82 - 2 - H GLY 14 - HB3 LYS 26 lone 1 53 - 3 - H GLY 14 - HB3 LYS 31 lone 1 75 - 2 - H HIS 3 - HB3 LYS 24 lone 0 57 - 0 - H HIS 3 - HB3 LYS 19 lone 0 43 - 0 - H HIS 3 - HB3 LYS 26 lone 0 26 - 0 - H HIS 3 - HB3 LYS 31 lone 0 39 - 0 - Peak 502 from cnoeabs.peaks (4.33, 1.81, 32.73 ppm; 2.61 A): 3 out of 20 assignments used, quality = 0.94: * HA LYS 24 + HB3 LYS 24 OK 88 100 - 89 - 3.0=69, 491/1.8=13...(20) HA LYS 24 + HB3 LYS 19 OK 30 86 - 35 - 482=6, 524/3.0=5...(11) HA LYS 24 + HB3 LYS 31 OK 29 79 - 37 - 482=7, 481/1.8=4...(12) HA LYS 24 - HB3 LYS 26 OK 26 57 - 46 - 482=7, 491/1.8=6...(17) HA LEU 69 - HB3 LYS 24 lone 5 96 - 5 - HA ASN 59 - HB3 LYS 24 lone 4 100 - 4 - HA ASN 59 - HB3 LYS 31 lone 2 79 - 2 - 9359/3.0=1 HA PRO 81 - HB3 LYS 24 lone 1 99 - 1 - HA LEU 69 - HB3 LYS 31 lone 1 71 - 1 - HA ASN 59 - HB3 LYS 26 lone 1 57 - 1 - HA ASN 59 - HB3 LYS 19 lone 0 86 - 1 - HA ASP 47 - HB3 LYS 24 lone 1 73 - 1 - HA LEU 69 - HB3 LYS 19 lone 0 79 - 1 - HA LEU 69 - HB3 LYS 26 lone 0 51 - 1 - HA PRO 81 - HB3 LYS 19 lone 0 84 - 0 - HA PRO 81 - HB3 LYS 31 lone 0 77 - 0 - HA PRO 81 - HB3 LYS 26 lone 0 55 - 0 - HA ASP 47 - HB3 LYS 19 lone 0 57 - 0 - HA ASP 47 - HB3 LYS 31 lone 0 51 - 0 - HA ASP 47 - HB3 LYS 26 lone 0 35 - 0 - Peak 503 from cnoeabs.peaks (1.75, 1.81, 32.73 ppm; 2.50 A): 4 out of 24 assignments used, quality = 1.00: * HB2 LYS 24 + HB3 LYS 24 OK 100 100 - 100 - 1.8=100 HB2 LYS 19 + HB3 LYS 19 OK 82 82 - 100 - 1.8=100 HB2 LYS 31 + HB3 LYS 31 OK 71 71 - 100 - 1.8=100 HB2 LYS 26 + HB3 LYS 26 OK 53 53 - 100 - 1.8=100 HB2 LYS 31 - HB3 LYS 24 OK 44 96 - 46 - 802=5, 3.0/835=3...(14) HB2 LYS 19 - HB3 LYS 24 OK 41 98 - 42 - 3.0/273=3, 251=3...(19) HB2 LYS 26 - HB3 LYS 24 OK 40 98 - 41 - 491/3.0=4, 251=3...(17) HB2 LYS 24 - HB3 LYS 19 OK 36 86 - 42 - 252/3.0=4, 3.0/502=3...(19) HB2 LYS 24 - HB3 LYS 31 OK 33 79 - 42 - 790/3.0=3, 823/3.0=3...(15) HB2 LYS 31 - HB3 LYS 19 OK 30 79 - 38 - 802=4, 3.0/835=2...(14) HB2 LYS 26 - HB3 LYS 19 OK 29 82 - 36 - 252/3.0=4, 251=2...(15) HB2 LYS 26 - HB3 LYS 31 OK 28 75 - 38 - 251=3, 823/3.0=2...(12) HB2 LYS 19 - HB3 LYS 31 OK 27 75 - 36 - 3.0/273=3, 251=3...(15) HB2 LYS 24 - HB3 LYS 26 OK 24 57 - 42 - 628/3.0=3, 3.0/482=3...(16) HB2 LYS 31 - HB3 LYS 26 OK 20 51 - 40 - 802=4, 628/3.0=3...(13) HB2 LYS 19 - HB3 LYS 26 OK 19 53 - 36 - 628/3.0=3, 251=2...(14) HB2 ARG 23 - HB3 LYS 24 OK 11 73 - 15 - 4.2/6221=3, 481/3.0=2, ~436=1 HB2 ARG 23 - HB3 LYS 26 poor 7 35 - 21 - ~436=2, 428=2...(9) HG13 ILE 129 - HB3 LYS 26 lone 4 53 - 8 - ~10483=1, ~10491=1...(4) HB2 ARG 23 - HB3 LYS 19 lone 4 57 - 7 - 4.2/6221=1 HG13 ILE 129 - HB3 LYS 31 lone 2 75 - 3 - HG13 ILE 129 - HB3 LYS 24 lone 2 98 - 2 - HG13 ILE 129 - HB3 LYS 19 lone 1 82 - 2 - HB2 ARG 23 - HB3 LYS 31 lone 1 51 - 3 - 4.2/6221=1 Peak 504 from cnoeabs.peaks (1.81, 1.81, 32.73 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB3 LYS 24 + HB3 LYS 24 OK 100 100 - 100 HB3 LYS 19 + HB3 LYS 19 OK 84 84 - 100 HB3 LYS 31 + HB3 LYS 31 OK 77 77 - 100 HB3 LYS 26 + HB3 LYS 26 OK 47 47 - 100 Peak 505 from cnoeabs.peaks (1.38, 1.81, 32.73 ppm; 2.60 A): 3 out of 56 assignments used, quality = 0.96: * HG2 LYS 24 + HB3 LYS 24 OK 86 100 - 86 - 2.9=69, 513/3.0=10...(19) HG3 LYS 26 + HB3 LYS 24 OK 49 99 - 49 - 483/3.0=6, 1.8/629=4...(15) HG3 LYS 26 + HB3 LYS 26 OK 47 55 - 85 - 3.0=67, 1.8/629=7...(17) HG2 LYS 24 - HB3 LYS 19 OK 35 86 - 41 - 515=4, 517/3.0=4...(14) HG2 LYS 24 - HB3 LYS 31 OK 34 79 - 43 - 515=4, 514/1.8=3...(15) HG3 LYS 26 - HB3 LYS 31 OK 33 77 - 42 - 1.8/629=3, 640=3...(13) HG3 LYS 26 - HB3 LYS 19 OK 31 84 - 36 - 639/1.8=3, ~628=2...(10) HG2 LYS 24 - HB3 LYS 26 OK 26 57 - 45 - 631/3.0=4, 515=4...(19) HG2 LYS 36 - HB3 LYS 24 OK 22 100 - 22 - 1008=3, 1.8/1019=2...(8) HG2 LYS 36 - HB3 LYS 31 OK 16 79 - 21 - 1008=3, 1.8/1019=2...(6) HG2 LYS 36 - HB3 LYS 26 OK 11 57 - 20 - 1008=3, 1.8/1019=2...(7) HG2 LYS 36 - HB3 LYS 19 poor 10 86 - 11 - 1008=2, 1.8/1019=1 QB ALA 15 - HB3 LYS 31 poor 9 75 - 13 - 10790=3, ~809=1, 2.9/820=1 HB3 LEU 100 - HB3 LYS 24 lone 8 100 - 8 - HB3 LEU 100 - HB3 LYS 26 poor 6 57 - 11 - 3243=1 HG3 LYS 95 - HB3 LYS 31 lone 6 62 - 9 - HB2 LEU 96 - HB3 LYS 31 lone 5 79 - 6 - 3070/3.0=2 HG2 LYS 95 - HB3 LYS 31 lone 4 51 - 9 - QB ALA 29 - HB3 LYS 31 lone 3 79 - 4 - 2.1/10783=2 HG3 LYS 95 - HB3 LYS 24 lone 3 87 - 3 - QB ALA 29 - HB3 LYS 24 lone 3 100 - 3 - QB ALA 15 - HB3 LYS 24 lone 3 98 - 3 - HG2 LYS 95 - HB3 LYS 24 lone 3 73 - 3 - HB2 LEU 96 - HB3 LYS 24 lone 2 100 - 2 - QB ALA 28 - HB3 LYS 26 lone 2 51 - 4 - 6265/4.5=2 QB ALA 108 - HB3 LYS 31 lone 2 67 - 3 - QB ALA 28 - HB3 LYS 24 lone 2 96 - 2 - QB ALA 29 - HB3 LYS 26 lone 2 57 - 3 - 2.1/10783=1 HB2 LEU 42 - HB3 LYS 24 lone 2 100 - 2 - HG3 LYS 95 - HB3 LYS 26 lone 2 43 - 4 - QB ALA 29 - HB3 LYS 19 lone 1 86 - 2 - HB2 LEU 96 - HB3 LYS 26 lone 1 57 - 3 - QB ALA 28 - HB3 LYS 31 lone 1 71 - 2 - QB ALA 110 - HB3 LYS 31 lone 1 75 - 2 - HG2 LYS 95 - HB3 LYS 26 lone 1 35 - 4 - QB ALA 109 - HB3 LYS 31 lone 1 45 - 3 - QB ALA 108 - HB3 LYS 24 lone 1 92 - 1 - QB ALA 15 - HB3 LYS 19 lone 1 82 - 1 - QB ALA 110 - HB3 LYS 24 lone 1 98 - 1 - HB3 LEU 100 - HB3 LYS 31 lone 1 79 - 1 - HG3 LYS 95 - HB3 LYS 19 lone 1 69 - 1 - HB3 LEU 100 - HB3 LYS 19 lone 1 86 - 1 - QB ALA 15 - HB3 LYS 26 lone 1 53 - 2 - QB ALA 28 - HB3 LYS 19 lone 1 79 - 1 - HB2 LEU 42 - HB3 LYS 26 lone 1 57 - 1 - HB2 LEU 96 - HB3 LYS 19 lone 1 86 - 1 - HG2 LYS 95 - HB3 LYS 19 lone 1 57 - 1 - QB ALA 108 - HB3 LYS 26 lone 1 47 - 1 - QB ALA 110 - HB3 LYS 19 lone 0 82 - 1 - QB ALA 109 - HB3 LYS 24 lone 0 65 - 1 - QB ALA 108 - HB3 LYS 19 lone 0 74 - 1 - QB ALA 110 - HB3 LYS 26 lone 0 53 - 1 - HB2 LEU 42 - HB3 LYS 19 lone 0 86 - 0 - HB2 LEU 42 - HB3 LYS 31 lone 0 79 - 0 - QB ALA 109 - HB3 LYS 26 lone 0 30 - 1 - QB ALA 109 - HB3 LYS 19 lone 0 50 - 0 - Peak 506 from cnoeabs.peaks (1.45, 1.81, 32.73 ppm; 2.80 A): 5 out of 16 assignments used, quality = 1.00: * HG3 LYS 24 + HB3 LYS 24 OK 95 100 - 95 - 2.9=87, 524/3.0=9...(19) HG3 LYS 19 + HB3 LYS 19 OK 80 84 - 95 - 3.0=83, 1.8/263=12...(36) HG2 LYS 31 + HB3 LYS 31 OK 66 71 - 93 - 3.0=83, 803/1.8=7...(23) HG3 LYS 19 + HB3 LYS 24 OK 54 99 - 55 - 1.8/273=6, 524/3.0=6...(20) HG2 LYS 31 + HB3 LYS 24 OK 52 96 - 55 - 824=6, 823/1.8=5...(17) HG3 LYS 24 - HB3 LYS 19 OK 45 86 - 52 - 285/3.0=7, 284=4...(22) HG3 LYS 24 - HB3 LYS 31 OK 41 79 - 52 - 284=4, 803/1.8=4...(19) HG2 LYS 31 - HB3 LYS 19 OK 36 79 - 46 - 824=5, 1.8/835=5...(15) HG3 LYS 19 - HB3 LYS 31 OK 35 77 - 45 - 1.8/273=6, 284=4...(17) HG3 LYS 24 - HB3 LYS 26 OK 28 57 - 50 - 527/3.0=4, 526=3...(20) HG3 LYS 19 - HB3 LYS 26 OK 25 55 - 46 - 1.8/273=4, ~252=4...(14) HG2 LYS 31 - HB3 LYS 26 OK 24 51 - 48 - 824=4, 823/1.8=4...(13) HG13 ILE 32 - HB3 LYS 31 OK 21 57 - 38 - 919/4.6=4, 1.8/913=4...(15) HG13 ILE 32 - HB3 LYS 19 OK 18 63 - 28 - ~10738=3, 1.8/913=3...(14) HG13 ILE 32 - HB3 LYS 24 OK 15 81 - 19 - ~10738=2, 1.8/913=2...(5) HG13 ILE 32 - HB3 LYS 26 OK 11 39 - 27 - 2.1/929=3, 1.8/913=3...(11) Peak 507 from cnoeabs.peaks (1.66, 1.81, 32.73 ppm; 2.67 A): 7 out of 60 assignments used, quality = 1.00: * HD2 LYS 24 + HB3 LYS 24 OK 76 100 - 76 - 3.5=43, 3.0/515=4...(35) HD3 LYS 24 + HB3 LYS 24 OK 76 100 - 76 - 3.5=43, 3.0/515=4...(35) HD2 LYS 31 + HB3 LYS 31 OK 62 79 - 78 - 3.5=45, 839/3.0=5...(27) HD3 LYS 31 + HB3 LYS 31 OK 61 79 - 78 - 3.5=45, 839/3.0=5...(27) HD2 LYS 31 + HB3 LYS 24 OK 50 100 - 50 - 2.9/835=3, 2.9/824=3...(18) HD3 LYS 31 + HB3 LYS 24 OK 50 100 - 50 - 2.9/835=3, 2.9/824=3...(18) HD2 LYS 26 + HB3 LYS 24 OK 45 100 - 45 - 2.9/629=3, 486/3.0=2...(17) HD3 LYS 26 - HB3 LYS 24 OK 43 98 - 45 - 2.9/629=3, 486/3.0=2...(18) HD2 LYS 26 - HB3 LYS 26 OK 43 57 - 76 - 3.5=44, 2.9/629=5...(32) HD3 LYS 26 - HB3 LYS 26 OK 40 53 - 75 - 3.5=44, 2.9/629=5...(30) HD2 LYS 26 - HB3 LYS 31 OK 37 79 - 47 - 839/3.0=3, 806/1.8=2...(15) HD3 LYS 26 - HB3 LYS 31 OK 35 75 - 47 - 839/3.0=2, 806/1.8=2...(17) HD2 LYS 24 - HB3 LYS 31 OK 35 79 - 44 - 839/3.0=2, 806/1.8=2...(15) HD3 LYS 24 - HB3 LYS 31 OK 34 79 - 44 - 839/3.0=2, 806/1.8=2...(15) HD2 LYS 31 - HB3 LYS 19 OK 33 86 - 38 - 2.9/835=3, 2.9/824=3...(8) HD3 LYS 31 - HB3 LYS 19 OK 33 86 - 38 - 2.9/835=3, 2.9/824=3...(8) HD2 LYS 24 - HB3 LYS 19 OK 31 86 - 36 - 3.0/515=2, 3.0/284=2...(7) HD3 LYS 24 - HB3 LYS 19 OK 31 86 - 36 - 3.0/515=2, 3.0/284=2...(7) HD2 LYS 26 - HB3 LYS 19 OK 29 86 - 33 - 2.9/629=2, ~628=2...(7) HD2 LYS 31 - HB3 LYS 26 OK 28 57 - 50 - 632/3.0=3, 2.9/835=3...(13) HD3 LYS 31 - HB3 LYS 26 OK 28 57 - 50 - 632/3.0=3, 2.9/835=3...(13) HD3 LYS 26 - HB3 LYS 19 OK 25 82 - 30 - 2.9/629=2, ~628=2...(5) HD2 LYS 24 - HB3 LYS 26 OK 24 57 - 42 - 632/3.0=2, 3.0/515=2...(10) HD3 LYS 24 - HB3 LYS 26 OK 24 57 - 42 - 632/3.0=2, 3.0/515=2...(10) HD3 LYS 36 - HB3 LYS 24 OK 12 65 - 19 - 3.0/1008=2, 3.0/1019=2...(4) HD2 LYS 36 - HB3 LYS 24 OK 12 65 - 19 - 3.0/1008=2, 3.0/1019=2...(4) HD2 LYS 36 - HB3 LYS 31 poor 9 45 - 20 - 3.0/1019=2, 3.0/1008=2...(4) HD3 LYS 36 - HB3 LYS 31 poor 9 45 - 20 - 3.0/1019=2, 3.0/1008=2...(4) HD3 LYS 95 - HB3 LYS 31 lone 7 77 - 9 - HD2 LYS 36 - HB3 LYS 19 poor 6 50 - 13 - HD3 LYS 36 - HB3 LYS 19 poor 6 50 - 13 - HD2 LYS 95 - HB3 LYS 31 lone 5 57 - 9 - HD2 LYS 36 - HB3 LYS 26 poor 5 30 - 16 - 3.0/1008=2, 3.0/1019=2...(4) HD3 LYS 36 - HB3 LYS 26 poor 5 30 - 16 - 3.0/1008=2, 3.0/1019=2...(4) HD2 LYS 86 - HB3 LYS 31 lone 5 77 - 6 - HD3 LYS 86 - HB3 LYS 31 lone 5 77 - 6 - HD2 LYS 86 - HB3 LYS 24 lone 4 99 - 4 - HD3 LYS 86 - HB3 LYS 24 lone 4 99 - 4 - HD3 LYS 95 - HB3 LYS 24 lone 3 99 - 3 - HB2 LEU 69 - HB3 LYS 24 lone 3 73 - 4 - HD2 LYS 95 - HB3 LYS 24 lone 2 81 - 3 - HD2 LYS 86 - HB3 LYS 19 lone 2 84 - 2 - HD3 LYS 86 - HB3 LYS 19 lone 2 84 - 2 - HD3 LYS 95 - HB3 LYS 26 lone 2 55 - 3 - HD3 LYS 86 - HB3 LYS 26 lone 1 55 - 2 - HD2 LYS 86 - HB3 LYS 26 lone 1 55 - 2 - HD2 LYS 95 - HB3 LYS 26 lone 1 39 - 3 - HD3 LYS 95 - HB3 LYS 19 lone 1 84 - 1 - HB2 LEU 69 - HB3 LYS 31 lone 1 51 - 2 - QB ALA 88 - HB3 LYS 31 lone 1 79 - 1 - QB ALA 88 - HB3 LYS 24 lone 1 100 - 1 - HB2 LEU 98 - HB3 LYS 19 lone 1 50 - 2 - QB ALA 88 - HB3 LYS 19 lone 1 86 - 1 - HB2 LEU 98 - HB3 LYS 24 lone 1 65 - 1 - HB2 LEU 98 - HB3 LYS 31 lone 1 45 - 2 - QB ALA 88 - HB3 LYS 26 lone 1 57 - 1 - HD2 LYS 95 - HB3 LYS 19 lone 1 63 - 1 - HB2 LEU 98 - HB3 LYS 26 lone 0 30 - 1 - HB2 LEU 69 - HB3 LYS 19 lone 0 57 - 0 - HB2 LEU 69 - HB3 LYS 26 lone 0 35 - 1 - Peak 508 from cnoeabs.peaks (1.66, 1.81, 32.73 ppm; 2.67 A): 7 out of 52 assignments used, quality = 1.00: * HD3 LYS 24 + HB3 LYS 24 OK 76 100 - 76 - 3.5=43, 3.0/515=4...(35) HD2 LYS 24 + HB3 LYS 24 OK 76 100 - 76 - 3.5=43, 3.0/515=4...(35) HD3 LYS 31 + HB3 LYS 31 OK 62 79 - 78 - 3.5=45, 839/3.0=5...(27) HD2 LYS 31 + HB3 LYS 31 OK 61 79 - 78 - 3.5=45, 839/3.0=5...(27) HD2 LYS 31 + HB3 LYS 24 OK 50 100 - 50 - 2.9/835=3, 2.9/824=3...(18) HD3 LYS 31 + HB3 LYS 24 OK 50 100 - 50 - 2.9/835=3, 2.9/824=3...(18) HD2 LYS 26 + HB3 LYS 24 OK 45 100 - 45 - 2.9/629=3, 486/3.0=2...(17) HD3 LYS 26 - HB3 LYS 24 OK 44 99 - 45 - 2.9/629=3, 486/3.0=2...(18) HD2 LYS 26 - HB3 LYS 26 OK 43 57 - 76 - 3.5=44, 2.9/629=5...(32) HD3 LYS 26 - HB3 LYS 26 OK 42 55 - 75 - 3.5=44, 2.9/629=5...(30) HD2 LYS 26 - HB3 LYS 31 OK 37 79 - 47 - 839/3.0=3, 806/1.8=2...(15) HD3 LYS 26 - HB3 LYS 31 OK 36 77 - 47 - 839/3.0=2, 806/1.8=2...(17) HD3 LYS 24 - HB3 LYS 31 OK 35 79 - 44 - 839/3.0=2, 806/1.8=2...(15) HD2 LYS 24 - HB3 LYS 31 OK 35 79 - 44 - 839/3.0=2, 806/1.8=2...(15) HD3 LYS 31 - HB3 LYS 19 OK 33 86 - 38 - 2.9/835=3, 2.9/824=3...(8) HD2 LYS 31 - HB3 LYS 19 OK 33 86 - 38 - 2.9/835=3, 2.9/824=3...(8) HD3 LYS 24 - HB3 LYS 19 OK 31 86 - 36 - 3.0/515=2, 3.0/284=2...(7) HD2 LYS 24 - HB3 LYS 19 OK 31 86 - 36 - 3.0/515=2, 3.0/284=2...(7) HD2 LYS 26 - HB3 LYS 19 OK 29 86 - 33 - 2.9/629=2, ~628=2...(7) HD3 LYS 31 - HB3 LYS 26 OK 28 57 - 50 - 632/3.0=3, 2.9/835=3...(13) HD2 LYS 31 - HB3 LYS 26 OK 28 57 - 50 - 632/3.0=3, 2.9/835=3...(13) HD3 LYS 26 - HB3 LYS 19 OK 26 84 - 31 - 2.9/629=2, ~628=2...(5) HD3 LYS 24 - HB3 LYS 26 OK 24 57 - 42 - 632/3.0=2, 3.0/515=2...(10) HD2 LYS 24 - HB3 LYS 26 OK 24 57 - 42 - 632/3.0=2, 3.0/515=2...(10) HD3 LYS 95 - HB3 LYS 31 lone 7 79 - 9 - HD2 LYS 95 - HB3 LYS 31 lone 6 62 - 9 - HD3 LYS 86 - HB3 LYS 31 lone 5 79 - 6 - HD2 LYS 86 - HB3 LYS 31 lone 5 79 - 6 - HD2 LYS 86 - HB3 LYS 24 lone 4 100 - 4 - HD3 LYS 86 - HB3 LYS 24 lone 4 100 - 4 - HD3 LYS 95 - HB3 LYS 24 lone 3 100 - 3 - HB2 LEU 69 - HB3 LYS 24 lone 3 65 - 4 - HD2 LYS 95 - HB3 LYS 24 lone 3 87 - 3 - HD3 LYS 95 - HB3 LYS 26 lone 2 57 - 3 - HD2 LYS 86 - HB3 LYS 19 lone 2 86 - 2 - HD3 LYS 86 - HB3 LYS 19 lone 2 86 - 2 - HD2 LYS 86 - HB3 LYS 26 lone 1 57 - 2 - HD3 LYS 86 - HB3 LYS 26 lone 1 57 - 2 - HD2 LYS 95 - HB3 LYS 26 lone 1 43 - 3 - HD3 LYS 95 - HB3 LYS 19 lone 1 86 - 1 - HB2 LEU 98 - HB3 LYS 19 lone 1 57 - 2 - QB ALA 88 - HB3 LYS 31 lone 1 79 - 1 - HB2 LEU 69 - HB3 LYS 31 lone 1 45 - 2 - QB ALA 88 - HB3 LYS 24 lone 1 100 - 1 - HB2 LEU 98 - HB3 LYS 24 lone 1 73 - 1 - QB ALA 88 - HB3 LYS 19 lone 1 86 - 1 - HB2 LEU 98 - HB3 LYS 31 lone 1 51 - 2 - HD2 LYS 95 - HB3 LYS 19 lone 1 69 - 1 - QB ALA 88 - HB3 LYS 26 lone 1 57 - 1 - HB2 LEU 98 - HB3 LYS 26 lone 0 35 - 1 - HB2 LEU 69 - HB3 LYS 19 lone 0 50 - 0 - HB2 LEU 69 - HB3 LYS 26 lone 0 30 - 1 - Peak 509 from cnoeabs.peaks (2.96, 1.81, 32.73 ppm; 3.79 A): 6 out of 32 assignments used, quality = 1.00: * HE2 LYS 24 + HB3 LYS 24 OK 85 100 - 85 - 5.1=42, 561/2.9=7...(62) HE2 LYS 19 + HB3 LYS 19 OK 74 82 - 91 - 5.1=42, 318/3.0=15...(50) HE3 LYS 24 + HB3 LYS 24 OK 71 87 - 82 - 5.1=42, 520/2.9=6...(50) HE2 LYS 19 + HB3 LYS 24 OK 57 98 - 58 - 3.8/273=6, 2.9/306=4...(35) HE2 LYS 24 + HB3 LYS 19 OK 47 86 - 55 - 318/3.0=6, 558/1.8=4...(25) HE2 LYS 24 + HB3 LYS 31 OK 46 79 - 58 - 558/1.8=4, 561/3.0=3...(32) HE3 LYS 19 - HB3 LYS 19 OK 45 50 - 89 - 5.1=42, 3.8/263=11...(44) HE2 LYS 19 - HB3 LYS 31 OK 39 75 - 52 - 3.8/273=5, 2.9/306=3...(28) HE2 LYS 31 - HB3 LYS 31 OK 39 45 - 87 - 4.8=48, 3.7/815=5...(63) HE2 LYS 31 - HB3 LYS 24 OK 36 65 - 55 - 3.7/835=5, 3.7/824=5...(30) HE3 LYS 19 - HB3 LYS 24 OK 36 65 - 55 - 3.8/273=6, 2.9/306=4...(36) HE2 LYS 36 - HB3 LYS 24 OK 36 99 - 36 - 4.0/1008=3, 520/2.9=3...(11) HE3 LYS 24 - HB3 LYS 19 OK 34 69 - 50 - 318/3.0=6, ~318=4...(25) HE3 LYS 24 - HB3 LYS 31 OK 31 62 - 50 - 4.0/515=3, 1.8/559=3...(27) HE3 LYS 36 - HB3 LYS 24 OK 30 87 - 35 - 4.0/1008=3, 4.0/1019=3...(15) HE2 LYS 24 - HB3 LYS 26 OK 29 57 - 52 - 558/1.8=4, 560/3.0=3...(21) HE2 LYS 36 - HB3 LYS 31 OK 27 77 - 35 - 4.0/1019=3, 4.0/1008=3...(10) HE2 LYS 36 - HB3 LYS 19 OK 27 84 - 32 - 318/3.0=3, 558/1.8=2...(12) HE2 LYS 19 - HB3 LYS 26 OK 27 53 - 51 - 3.8/273=4, 558/1.8=3...(25) HE2 LYS 31 - HB3 LYS 19 OK 23 50 - 47 - 3.7/835=5, 3.7/824=5...(16) HE3 LYS 36 - HB3 LYS 19 OK 20 69 - 29 - 318/3.0=3, ~318=2...(11) HE3 LYS 36 - HB3 LYS 31 OK 20 62 - 32 - 4.0/1019=3, 4.0/1008=3...(9) HE3 LYS 19 - HB3 LYS 31 OK 20 45 - 45 - 3.8/273=5, 2.9/306=3...(25) HE3 LYS 24 - HB3 LYS 26 OK 19 43 - 44 - 4.0/515=3, ~558=2...(21) HE2 LYS 31 - HB3 LYS 26 OK 17 30 - 58 - 3.7/835=4, 3.7/824=4...(33) HE2 LYS 36 - HB3 LYS 26 OK 15 55 - 28 - 4.0/1008=3, 4.0/1019=2...(9) HE3 LYS 19 - HB3 LYS 26 OK 13 30 - 44 - 3.8/273=4, 2.9/306=3...(22) HE3 LYS 36 - HB3 LYS 26 OK 11 43 - 26 - 4.0/1008=3, 4.0/1019=2...(7) HE3 LYS 86 - HB3 LYS 31 lone 5 71 - 6 - HE3 LYS 86 - HB3 LYS 24 lone 4 96 - 5 - HE3 LYS 86 - HB3 LYS 19 lone 3 79 - 4 - HE3 LYS 86 - HB3 LYS 26 lone 1 51 - 3 - Peak 510 from cnoeabs.peaks (2.96, 1.81, 32.73 ppm; 3.79 A): 12 out of 44 assignments used, quality = 1.00: * HE3 LYS 24 + HB3 LYS 24 OK 82 100 - 82 - 5.1=42, 4.0/515=5...(50) HE2 LYS 19 + HB3 LYS 19 OK 74 82 - 90 - 5.1=42, 318/3.0=15...(50) HE3 LYS 19 + HB3 LYS 19 OK 73 82 - 90 - 5.1=42, 329/3.0=13...(44) HE2 LYS 24 + HB3 LYS 24 OK 73 87 - 84 - 5.1=42, 4.0/515=5...(62) HE2 LYS 31 + HB3 LYS 31 OK 66 75 - 88 - 4.8=48, 840/3.0=6...(63) HE3 LYS 31 + HB3 LYS 31 OK 56 62 - 89 - 4.8=48, 840/3.0=6...(66) HE2 LYS 19 + HB3 LYS 24 OK 55 98 - 56 - 3.8/273=6, 2.9/306=4...(35) HE2 LYS 31 + HB3 LYS 24 OK 55 98 - 56 - 3.7/835=5, 3.7/824=5...(30) HE3 LYS 19 + HB3 LYS 24 OK 54 98 - 56 - 3.8/273=6, 2.9/306=4...(36) HE3 LYS 31 + HB3 LYS 24 OK 50 87 - 58 - 3.7/835=5, 3.7/824=5...(31) HE2 LYS 26 + HB3 LYS 24 OK 46 87 - 53 - 3.6/629=4, 3.6/505=3...(22) HE3 LYS 26 + HB3 LYS 24 OK 46 87 - 53 - 3.6/629=4, 3.6/505=3...(22) HE3 LYS 24 - HB3 LYS 19 OK 43 86 - 50 - 318/3.0=6, ~318=4...(25) HE3 LYS 24 - HB3 LYS 31 OK 41 79 - 52 - 4.0/515=3, 840/3.0=3...(28) HE2 LYS 31 - HB3 LYS 19 OK 40 82 - 49 - 3.7/835=5, 329/3.0=5...(18) HE2 LYS 19 - HB3 LYS 31 OK 39 75 - 52 - 3.8/273=5, 2.9/306=3...(27) HE2 LYS 26 - HB3 LYS 31 OK 39 62 - 63 - 3.6/629=3, 840/3.0=3...(36) HE3 LYS 26 - HB3 LYS 31 OK 39 62 - 63 - 3.6/629=3, 840/3.0=3...(36) HE3 LYS 26 - HB3 LYS 26 OK 38 43 - 87 - 4.8=50, 3.6/629=8...(62) HE2 LYS 26 - HB3 LYS 26 OK 38 43 - 87 - 4.8=50, 3.6/629=8...(62) HE2 LYS 24 - HB3 LYS 19 OK 37 69 - 54 - 318/3.0=6, ~318=4...(25) HE3 LYS 19 - HB3 LYS 31 OK 36 75 - 48 - 3.8/273=5, 2.9/306=3...(27) HE2 LYS 24 - HB3 LYS 31 OK 35 62 - 57 - 558/1.8=3, 4.0/515=3...(33) HE3 LYS 31 - HB3 LYS 19 OK 35 69 - 50 - 3.7/835=5, 3.7/824=5...(16) HE3 LYS 36 - HB3 LYS 24 OK 34 100 - 34 - 4.0/1008=3, 4.0/1019=3...(15) HE3 LYS 26 - HB3 LYS 19 OK 34 69 - 49 - 329/3.0=4, 3.6/629=3...(23) HE2 LYS 26 - HB3 LYS 19 OK 34 69 - 49 - 329/3.0=4, 3.6/629=3...(23) HE2 LYS 36 - HB3 LYS 24 OK 33 96 - 34 - 4.0/1008=3, 4.0/1019=3...(11) HE2 LYS 31 - HB3 LYS 26 OK 32 53 - 60 - 3.7/835=4, 3.7/824=4...(35) HE3 LYS 36 - HB3 LYS 31 OK 27 79 - 34 - 4.0/1019=3, 4.0/1008=3...(12) HE2 LYS 19 - HB3 LYS 26 OK 27 53 - 50 - 3.8/273=4, 2.9/306=3...(26) HE3 LYS 31 - HB3 LYS 26 OK 26 43 - 61 - 3.7/835=4, 3.7/824=4...(37) HE3 LYS 24 - HB3 LYS 26 OK 26 57 - 46 - 4.0/515=3, ~558=2...(22) HE3 LYS 36 - HB3 LYS 19 OK 26 86 - 29 - 318/3.0=3, ~318=2...(11) HE2 LYS 36 - HB3 LYS 31 OK 25 71 - 35 - 4.0/1019=3, 4.0/1008=3...(10) HE3 LYS 19 - HB3 LYS 26 OK 25 53 - 46 - 3.8/273=4, 2.9/306=3...(26) HE2 LYS 36 - HB3 LYS 19 OK 25 79 - 31 - 318/3.0=3, ~318=2...(12) HE2 LYS 24 - HB3 LYS 26 OK 22 43 - 50 - 4.0/515=3, 558/1.8=3...(21) HE3 LYS 36 - HB3 LYS 26 OK 15 57 - 27 - 4.0/1008=3, 4.0/1019=2...(7) HE2 LYS 36 - HB3 LYS 26 OK 14 51 - 28 - 4.0/1008=3, 4.0/1019=2...(8) HE3 LYS 86 - HB3 LYS 31 lone 5 77 - 7 - HE3 LYS 86 - HB3 LYS 24 lone 4 99 - 4 - HE3 LYS 86 - HB3 LYS 19 lone 3 84 - 4 - HE3 LYS 86 - HB3 LYS 26 lone 2 55 - 3 - Peak 511 from cnoeabs.peaks (8.10, 1.81, 32.73 ppm; 3.46 A): 4 out of 4 assignments used, quality = 0.92: * H THR 25 + HB3 LYS 24 OK 81 100 - 81 - 4.7=41, 6231/3.0=31...(9) H THR 25 + HB3 LYS 26 OK 29 57 - 51 - 6245/4.0=21, 6233=10...(8) H THR 25 + HB3 LYS 31 OK 21 79 - 27 - 6233=6, 6232/1.8=4...(9) H THR 25 + HB3 LYS 19 OK 20 86 - 23 - 6233=5, 6235/3.0=5...(7) Peak 512 from cnoeabs.peaks (8.37, 1.38, 24.62 ppm; 3.56 A): 3 out of 8 assignments used, quality = 0.97: * H LYS 24 + HG2 LYS 24 OK 83 100 - 83 - 5.1=35, 6219/4.1=23...(19) H LYS 26 + HG2 LYS 24 OK 65 100 - 65 - 6253=13, 4.6/522=9...(21) H LYS 26 + HG3 LYS 26 OK 54 63 - 87 - 4.9=38, 6252/1.8=23...(24) H LYS 24 - HG3 LYS 26 OK 40 63 - 64 - 6222=15, 626/1.8=13...(21) H GLY 14 - HG2 LYS 24 lone 7 98 - 7 - 3.6/10654=1, 4.5/10656=1 H GLY 14 - HG3 LYS 26 lone 4 59 - 6 - H HIS 3 - HG2 LYS 24 lone 0 57 - 1 - H HIS 3 - HG3 LYS 26 lone 0 29 - 1 - Peak 513 from cnoeabs.peaks (4.33, 1.38, 24.62 ppm; 3.24 A): 2 out of 10 assignments used, quality = 0.93: * HA LYS 24 + HG2 LYS 24 OK 89 100 - 89 - 4.1=49, 524/1.8=17...(29) HA LYS 24 + HG3 LYS 26 OK 42 63 - 68 - 483=16, 3.0/6222=8...(23) HA LEU 69 - HG2 LYS 24 lone 7 96 - 7 - 524/1.8=1 HA ASN 59 - HG2 LYS 24 lone 5 100 - 5 - 524/1.8=1 HA PRO 81 - HG2 LYS 24 lone 2 99 - 2 - HA ASN 59 - HG3 LYS 26 lone 1 63 - 2 - HA LEU 69 - HG3 LYS 26 lone 1 56 - 2 - HA ASP 47 - HG2 LYS 24 lone 1 73 - 1 - HA PRO 81 - HG3 LYS 26 lone 0 61 - 1 - HA ASP 47 - HG3 LYS 26 lone 0 39 - 0 - Peak 514 from cnoeabs.peaks (1.75, 1.38, 24.62 ppm; 3.03 A): 5 out of 12 assignments used, quality = 1.00: * HB2 LYS 24 + HG2 LYS 24 OK 100 100 - 100 - 2.9=100 HB2 LYS 26 + HG3 LYS 26 OK 59 59 - 100 - 3.0=100 HB2 LYS 26 + HG2 LYS 24 OK 58 98 - 59 - 3.0/631=6, 1.8/620=5...(27) HB2 LYS 31 + HG2 LYS 24 OK 55 96 - 58 - 803/1.8=5, 3.0/517=4...(25) HB2 LYS 19 + HG2 LYS 24 OK 53 98 - 54 - 3.0/517=5, ~285=4...(23) HB2 LYS 24 - HG3 LYS 26 OK 40 63 - 64 - 3.0/483=8, 628/1.8=7...(20) HB2 LYS 31 - HG3 LYS 26 OK 31 56 - 55 - 628/1.8=5, ~629=3...(23) HB2 LYS 19 - HG3 LYS 26 OK 29 59 - 49 - 628/1.8=6, 609=3...(15) HB2 ARG 23 - HG2 LYS 24 OK 12 73 - 17 - 4.2/6222=6, 481/4.1=2...(4) HB2 ARG 23 - HG3 LYS 26 poor 9 39 - 23 - 4.2/6222=4, 428/3.0=3...(8) HG13 ILE 129 - HG3 LYS 26 poor 8 59 - 14 - ~10491=3, ~10483=3...(6) HG13 ILE 129 - HG2 LYS 24 lone 2 98 - 2 - Peak 515 from cnoeabs.peaks (1.81, 1.38, 24.62 ppm; 2.83 A): 5 out of 22 assignments used, quality = 1.00: * HB3 LYS 24 + HG2 LYS 24 OK 96 100 - 96 - 2.9=90, 3.0/513=12...(24) HB3 LYS 26 + HG2 LYS 24 OK 51 92 - 56 - 620=6, 3.0/631=5...(23) HB3 LYS 31 + HG2 LYS 24 OK 50 99 - 51 - 1.8/514=4, 3.0/517=3...(22) HB3 LYS 26 + HG3 LYS 26 OK 50 53 - 95 - 3.0=86, 619/1.8=13...(26) HB3 LYS 19 + HG2 LYS 24 OK 47 99 - 48 - 3.0/517=4, 505=4...(20) HB3 LYS 24 - HG3 LYS 26 OK 36 63 - 57 - 3.0/483=7, 505=5...(20) HB2 LYS 36 - HG2 LYS 24 OK 32 98 - 33 - 988=5, 1.8/999=4...(11) HB3 LYS 31 - HG3 LYS 26 OK 29 61 - 48 - 629/1.8=3, 505=3, ~628=3...(17) HB3 LYS 19 - HG3 LYS 26 OK 26 61 - 42 - 505=3, ~628=3, 629/1.8=3...(15) HB ILE 32 - HG2 LYS 24 OK 15 96 - 16 - 900/1.8=2, ~10738=1, ~908=1 HB2 LYS 36 - HG3 LYS 26 OK 14 59 - 24 - 988=4, 1.8/999=3...(6) HB ILE 32 - HG3 LYS 26 OK 11 56 - 20 - 900/1.8=3, ~908=2...(5) HB3 ARG 23 - HG2 LYS 24 poor 9 65 - 14 - 4.2/6222=5, 482/4.1=1 HB2 LEU 100 - HG2 LYS 24 poor 8 73 - 10 - 3.2/3268=1 HB3 ARG 23 - HG3 LYS 26 poor 6 34 - 19 - 4.2/6222=4, 629/1.8=2...(6) HB2 LEU 100 - HG3 LYS 26 poor 6 39 - 16 - 3.2/3268=2, 3.2/3260=2...(6) HB3 LEU 123 - HG3 LYS 26 poor 6 33 - 17 - ~10756=5, 3.2/10703=4...(5) HB3 LEU 123 - HG2 LYS 24 lone 3 64 - 5 - 3.2/10703=1 HB3 ARG 135 - HG2 LYS 24 lone 1 96 - 1 - HB3 ARG 135 - HG3 LYS 26 lone 1 56 - 2 - HB2 ARG 84 - HG2 LYS 24 lone 1 92 - 1 - HB2 ARG 84 - HG3 LYS 26 lone 0 53 - 0 - Peak 516 from cnoeabs.peaks (1.38, 1.38, 24.62 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 LYS 24 + HG2 LYS 24 OK 100 100 - 100 HG3 LYS 26 + HG3 LYS 26 OK 61 61 - 100 Peak 517 from cnoeabs.peaks (1.45, 1.38, 24.62 ppm; 2.50 A): 1 out of 8 assignments used, quality = 1.00: * HG3 LYS 24 + HG2 LYS 24 OK 100 100 - 100 - 1.8=100 HG3 LYS 19 - HG2 LYS 24 OK 44 99 - 44 - 527=8, ~285=4, ~275=4...(18) HG2 LYS 31 - HG2 LYS 24 OK 37 96 - 38 - 823/2.9=3, 824/2.9=3...(14) HG3 LYS 24 - HG3 LYS 26 OK 27 63 - 43 - 527=8, 4.1/483=3, ~631=3...(17) HG2 LYS 31 - HG3 LYS 26 OK 20 56 - 36 - 823/3.0=2, 824/3.0=2...(15) HG3 LYS 19 - HG3 LYS 26 OK 18 61 - 30 - 527=5, 283/3.0=2, ~252=2...(11) HG13 ILE 32 - HG2 LYS 24 lone 8 81 - 10 - ~10738=1 HG13 ILE 32 - HG3 LYS 26 poor 6 44 - 14 - ~10738=2, ~916=2...(4) Peak 518 from cnoeabs.peaks (1.66, 1.38, 24.62 ppm; 2.62 A): 4 out of 30 assignments used, quality = 1.00: * HD2 LYS 24 + HG2 LYS 24 OK 86 100 - 86 - 3.0=69, 530/1.8=4...(17) HD3 LYS 24 + HG2 LYS 24 OK 86 100 - 86 - 3.0=69, 530/1.8=4...(17) HD2 LYS 26 + HG3 LYS 26 OK 56 63 - 89 - 2.9=75, 632/1.8=7...(26) HD3 LYS 26 + HG3 LYS 26 OK 52 59 - 89 - 2.9=75, 632/1.8=6...(26) HD2 LYS 31 - HG2 LYS 24 OK 45 100 - 45 - 2.9/517=3, 530/1.8=2...(13) HD3 LYS 31 - HG2 LYS 24 OK 45 100 - 45 - 2.9/517=3, 530/1.8=2...(13) HD2 LYS 26 - HG2 LYS 24 OK 43 100 - 43 - 2.9/631=5, 538=2...(12) HD3 LYS 26 - HG2 LYS 24 OK 40 98 - 41 - 2.9/631=5, 3.5/620=2...(12) HD2 LYS 31 - HG3 LYS 26 OK 29 63 - 47 - 632/1.8=4, 538=2, ~632=2...(17) HD3 LYS 31 - HG3 LYS 26 OK 29 63 - 46 - 632/1.8=4, 538=2, ~632=2...(17) HD2 LYS 24 - HG3 LYS 26 OK 26 63 - 42 - 3.0/527=3, 632/1.8=3...(16) HD3 LYS 24 - HG3 LYS 26 OK 26 63 - 42 - 3.0/527=3, 632/1.8=3...(15) HD3 LYS 36 - HG2 LYS 24 OK 16 65 - 24 - 3.0/1021=3, 1.8/1032=2...(7) HD2 LYS 36 - HG2 LYS 24 OK 16 65 - 24 - 3.0/1021=3, 1.8/1032=2...(7) HD3 LYS 86 - HG2 LYS 24 lone 6 99 - 6 - HD2 LYS 86 - HG2 LYS 24 lone 6 99 - 6 - HD2 LYS 36 - HG3 LYS 26 poor 5 34 - 15 - 3.0/1021=2, 3.5/999=2...(5) HD3 LYS 36 - HG3 LYS 26 poor 5 34 - 15 - 3.0/1021=2, 3.5/999=2...(5) HD3 LYS 95 - HG2 LYS 24 lone 4 99 - 3 - HB2 LEU 69 - HG2 LYS 24 lone 3 73 - 4 - HD3 LYS 95 - HG3 LYS 26 lone 3 61 - 4 - HD2 LYS 95 - HG2 LYS 24 lone 2 81 - 3 - HD3 LYS 86 - HG3 LYS 26 lone 2 61 - 3 - HD2 LYS 86 - HG3 LYS 26 lone 2 61 - 3 - HD2 LYS 95 - HG3 LYS 26 lone 2 44 - 4 - HB2 LEU 98 - HG2 LYS 24 lone 1 65 - 1 - HB2 LEU 98 - HG3 LYS 26 lone 1 34 - 2 - QB ALA 88 - HG3 LYS 26 lone 1 63 - 1 - QB ALA 88 - HG2 LYS 24 lone 1 100 - 1 - HB2 LEU 69 - HG3 LYS 26 lone 0 39 - 1 - Peak 519 from cnoeabs.peaks (1.66, 1.38, 24.62 ppm; 2.62 A): 4 out of 26 assignments used, quality = 1.00: * HD3 LYS 24 + HG2 LYS 24 OK 86 100 - 86 - 3.0=69, 530/1.8=4...(17) HD2 LYS 24 + HG2 LYS 24 OK 86 100 - 86 - 3.0=69, 530/1.8=4...(17) HD2 LYS 26 + HG3 LYS 26 OK 56 63 - 89 - 2.9=75, 632/1.8=7...(26) HD3 LYS 26 + HG3 LYS 26 OK 54 61 - 89 - 2.9=75, 632/1.8=6...(26) HD2 LYS 31 - HG2 LYS 24 OK 45 100 - 45 - 2.9/517=3, 530/1.8=2...(13) HD3 LYS 31 - HG2 LYS 24 OK 45 100 - 45 - 2.9/517=3, 530/1.8=2...(14) HD2 LYS 26 - HG2 LYS 24 OK 43 100 - 43 - 2.9/631=5, 538=2...(12) HD3 LYS 26 - HG2 LYS 24 OK 41 99 - 41 - 2.9/631=5, 3.5/620=2...(12) HD3 LYS 31 - HG3 LYS 26 OK 29 63 - 46 - 632/1.8=4, 538=2, ~632=2...(17) HD2 LYS 31 - HG3 LYS 26 OK 29 63 - 47 - 632/1.8=4, 538=2, ~632=2...(17) HD3 LYS 24 - HG3 LYS 26 OK 26 63 - 42 - 3.0/527=3, 632/1.8=3...(15) HD2 LYS 24 - HG3 LYS 26 OK 26 63 - 42 - 3.0/527=3, 632/1.8=3...(16) HD2 LYS 86 - HG2 LYS 24 lone 6 100 - 6 - HD3 LYS 86 - HG2 LYS 24 lone 6 100 - 6 - HD3 LYS 95 - HG2 LYS 24 lone 4 100 - 3 - HD3 LYS 95 - HG3 LYS 26 lone 3 63 - 4 - HB2 LEU 69 - HG2 LYS 24 lone 3 65 - 4 - HD2 LYS 95 - HG2 LYS 24 lone 3 87 - 3 - HD3 LYS 86 - HG3 LYS 26 lone 2 63 - 3 - HD2 LYS 86 - HG3 LYS 26 lone 2 63 - 3 - HD2 LYS 95 - HG3 LYS 26 lone 2 48 - 4 - HB2 LEU 98 - HG2 LYS 24 lone 1 73 - 1 - HB2 LEU 98 - HG3 LYS 26 lone 1 39 - 2 - QB ALA 88 - HG3 LYS 26 lone 1 63 - 1 - QB ALA 88 - HG2 LYS 24 lone 1 100 - 1 - HB2 LEU 69 - HG3 LYS 26 lone 0 34 - 1 - Peak 520 from cnoeabs.peaks (2.96, 1.38, 24.62 ppm; 3.17 A): 3 out of 16 assignments used, quality = 0.97: * HE2 LYS 24 + HG2 LYS 24 OK 83 100 - 83 - 4.0=50, 561/1.8=7...(30) HE3 LYS 24 + HG2 LYS 24 OK 69 87 - 80 - 4.0=50, 1.8/560=7...(32) HE2 LYS 19 + HG2 LYS 24 OK 46 98 - 47 - 560=5, 3.8/517=4...(17) HE2 LYS 36 - HG2 LYS 24 OK 31 99 - 32 - 560=3, 4.0/1021=2...(10) HE3 LYS 19 - HG2 LYS 24 OK 28 65 - 43 - 3.8/517=4, 1.8/560=3...(17) HE2 LYS 31 - HG2 LYS 24 OK 26 65 - 40 - 3.7/517=3, 3.0/519=2...(12) HE3 LYS 36 - HG2 LYS 24 OK 26 87 - 30 - 4.0/1021=2, 1.8/560=2...(10) HE2 LYS 24 - HG3 LYS 26 OK 25 63 - 40 - 560=4, 4.0/527=3...(15) HE2 LYS 19 - HG3 LYS 26 OK 19 59 - 33 - 560=3, 3.8/527=2, ~635=2...(9) HE3 LYS 24 - HG3 LYS 26 OK 16 48 - 33 - 4.0/527=3, 1.8/560=3...(13) HE2 LYS 31 - HG3 LYS 26 OK 14 34 - 42 - ~635=3, ~634=3...(15) HE2 LYS 36 - HG3 LYS 26 OK 12 61 - 20 - 560=2, 4.0/1021=2...(5) HE3 LYS 19 - HG3 LYS 26 poor 9 34 - 26 - 3.8/527=2, 1.8/560=2...(5) HE3 LYS 36 - HG3 LYS 26 poor 9 48 - 18 - 4.0/1021=2, 4.9/999=1...(5) HE3 LYS 86 - HG2 LYS 24 lone 5 96 - 5 - HE3 LYS 86 - HG3 LYS 26 lone 2 56 - 3 - Peak 521 from cnoeabs.peaks (2.96, 1.38, 24.62 ppm; 3.17 A): 3 out of 22 assignments used, quality = 0.97: * HE3 LYS 24 + HG2 LYS 24 OK 80 100 - 80 - 4.0=50, 1.8/560=7...(32) HE2 LYS 24 + HG2 LYS 24 OK 71 87 - 82 - 4.0=50, 561/1.8=5...(30) HE2 LYS 19 + HG2 LYS 24 OK 44 98 - 45 - 3.8/517=4, 560=3...(17) HE3 LYS 19 - HG2 LYS 24 OK 43 98 - 44 - 3.8/517=4, 1.8/560=3...(18) HE2 LYS 26 - HG3 LYS 26 OK 43 48 - 88 - 3.6=67, 634/1.8=5...(29) HE3 LYS 26 - HG3 LYS 26 OK 43 48 - 88 - 3.6=67, 634/1.8=5...(29) HE2 LYS 31 - HG2 LYS 24 OK 40 98 - 41 - 3.7/517=3, 571=2...(13) HE3 LYS 31 - HG2 LYS 24 OK 37 87 - 43 - 3.7/517=3, 3.0/519=2...(12) HE3 LYS 26 - HG2 LYS 24 OK 37 87 - 42 - 3.6/631=5, 3.0/519=2...(10) HE2 LYS 26 - HG2 LYS 24 OK 37 87 - 42 - 3.6/631=5, 3.0/519=2...(10) HE3 LYS 36 - HG2 LYS 24 OK 30 100 - 30 - 4.0/1021=2, 1.8/560=2...(10) HE2 LYS 36 - HG2 LYS 24 OK 29 96 - 30 - 560=3, 4.0/1021=2...(9) HE2 LYS 31 - HG3 LYS 26 OK 26 59 - 45 - 634/1.8=3, ~635=3...(18) HE3 LYS 31 - HG3 LYS 26 OK 22 48 - 45 - 634/1.8=3, ~635=3...(18) HE3 LYS 24 - HG3 LYS 26 OK 22 63 - 35 - 4.0/527=3, 1.8/560=3...(14) HE2 LYS 19 - HG3 LYS 26 OK 19 59 - 32 - 560=2, 3.8/527=2, ~635=2...(9) HE2 LYS 24 - HG3 LYS 26 OK 18 48 - 38 - 4.0/527=3, 560=3...(14) HE3 LYS 19 - HG3 LYS 26 OK 17 59 - 29 - 3.8/527=2, 1.8/560=2...(6) HE3 LYS 36 - HG3 LYS 26 OK 12 63 - 19 - 4.0/1021=2, 4.9/999=1...(6) HE2 LYS 36 - HG3 LYS 26 OK 11 56 - 19 - 4.0/1021=2, 560=1...(5) HE3 LYS 86 - HG2 LYS 24 lone 5 99 - 5 - HE3 LYS 86 - HG3 LYS 26 lone 2 61 - 3 - Peak 522 from cnoeabs.peaks (8.10, 1.38, 24.62 ppm; 4.66 A): 2 out of 2 assignments used, quality = 0.94: * H THR 25 + HG2 LYS 24 OK 88 100 - 88 - 6231/4.1=36, 6228/5.1=28...(11) H THR 25 + HG3 LYS 26 OK 46 63 - 73 - 6245/4.9=29, 6234=15...(13) Peak 523 from cnoeabs.peaks (8.37, 1.45, 24.62 ppm; 3.69 A): 3 out of 8 assignments used, quality = 0.96: * H LYS 24 + HG3 LYS 24 OK 85 100 - 85 - 5.1=39, 6219/4.1=25...(18) H LYS 26 + HG3 LYS 24 OK 59 100 - 59 - 6253/1.8=11, 6250/2.9=9...(22) H LYS 26 + HG3 LYS 19 OK 45 95 - 48 - 6250/3.0=6, ~241=6...(22) H LYS 24 - HG3 LYS 19 OK 43 95 - 45 - 6223=12, 3.0/524=10...(13) H GLY 14 - HG3 LYS 24 lone 4 98 - 4 - 512/1.8=1 H GLY 14 - HG3 LYS 19 lone 4 91 - 4 - 10659/1.8=2 H HIS 3 - HG3 LYS 24 lone 0 57 - 1 - H HIS 3 - HG3 LYS 19 lone 0 50 - 1 - Peak 524 from cnoeabs.peaks (4.33, 1.45, 24.62 ppm; 3.54 A): 2 out of 10 assignments used, quality = 0.98: * HA LYS 24 + HG3 LYS 24 OK 94 100 - 94 - 4.1=64, 513/1.8=24...(29) HA LYS 24 + HG3 LYS 19 OK 57 95 - 60 - 484=13, 3.0/6223=7...(19) HA LEU 69 - HG3 LYS 24 lone 8 96 - 8 - 513/1.8=2 HA ASN 59 - HG3 LYS 24 lone 6 100 - 6 - 513/1.8=1 HA PRO 81 - HG3 LYS 24 lone 2 99 - 2 - HA ASN 59 - HG3 LYS 19 lone 1 95 - 1 - HA LEU 69 - HG3 LYS 19 lone 1 88 - 1 - HA ASP 47 - HG3 LYS 24 lone 1 73 - 1 - HA PRO 81 - HG3 LYS 19 lone 1 94 - 1 - HA ASP 47 - HG3 LYS 19 lone 0 65 - 1 - Peak 525 from cnoeabs.peaks (1.75, 1.45, 24.62 ppm; 3.13 A): 8 out of 12 assignments used, quality = 1.00: * HB2 LYS 24 + HG3 LYS 24 OK 100 100 - 100 - 2.9=100 HB2 LYS 19 + HG3 LYS 19 OK 91 91 - 100 - 3.0=100 HB2 LYS 24 + HG3 LYS 19 OK 61 95 - 64 - 252/1.8=8, 3.0/524=7...(28) HB2 LYS 31 + HG3 LYS 24 OK 61 96 - 64 - 803=5, 3.0/836=5...(25) HB2 LYS 26 + HG3 LYS 24 OK 60 98 - 62 - 3.0/527=5, 514/1.8=5...(29) HB2 LYS 19 + HG3 LYS 24 OK 59 98 - 61 - 3.0/285=8, 253=5...(26) HB2 LYS 31 + HG3 LYS 19 OK 50 88 - 56 - 272/1.8=5, ~263=5, 803=5...(27) HB2 LYS 26 + HG3 LYS 19 OK 49 91 - 53 - 252/1.8=8, 253=4, ~241=4...(19) HB2 ARG 23 - HG3 LYS 24 OK 14 73 - 19 - 4.2/6223=7, 481/4.1=2...(4) HB2 ARG 23 - HG3 LYS 19 lone 7 65 - 10 - 4.2/6223=3, 272/1.8=1 HG13 ILE 129 - HG3 LYS 24 lone 2 98 - 2 - HG13 ILE 129 - HG3 LYS 19 lone 2 91 - 2 - Peak 526 from cnoeabs.peaks (1.81, 1.45, 24.62 ppm; 2.98 A): 7 out of 22 assignments used, quality = 1.00: * HB3 LYS 24 + HG3 LYS 24 OK 100 100 - 100 - 2.9=100 HB3 LYS 19 + HG3 LYS 19 OK 94 94 - 100 - 3.0=100 HB3 LYS 24 + HG3 LYS 19 OK 58 95 - 61 - 263/1.8=9, 3.0/524=6...(23) HB3 LYS 31 + HG3 LYS 24 OK 58 99 - 58 - 1.8/803=4, 3.0/836=4...(23) HB3 LYS 19 + HG3 LYS 24 OK 57 99 - 57 - 3.0/285=7, 3.9/281=4...(26) HB3 LYS 26 + HG3 LYS 24 OK 53 92 - 58 - 620/1.8=5, 3.0/527=4...(24) HB3 LYS 31 + HG3 LYS 19 OK 48 94 - 51 - 263/1.8=9, 1.8/803=4...(21) HB3 LYS 26 - HG3 LYS 19 OK 43 84 - 51 - 273/1.8=5, ~252=4...(18) HB ILE 32 - HG3 LYS 19 OK 30 88 - 34 - ~10831=6, 900=3...(12) HB2 LYS 36 - HG3 LYS 24 OK 28 98 - 29 - 988/1.8=4, ~999=3...(9) HB ILE 32 - HG3 LYS 24 OK 20 96 - 21 - 900=2, 4.0/6345=2...(8) HB2 LYS 36 - HG3 LYS 19 OK 11 91 - 12 - 273/1.8=1 HB3 ARG 23 - HG3 LYS 24 OK 11 65 - 16 - 4.2/6223=6, 482/4.1=1, 436/2.9=1 HB3 LEU 123 - HG3 LYS 19 poor 6 57 - 11 - ~10701=2, ~10748=2 HB2 LEU 100 - HG3 LYS 24 lone 6 73 - 9 - HB3 ARG 23 - HG3 LYS 19 lone 4 58 - 8 - 4.2/6223=3 HB3 LEU 123 - HG3 LYS 24 lone 3 64 - 4 - HB3 ARG 135 - HG3 LYS 24 lone 2 96 - 2 - HB2 ARG 84 - HG3 LYS 19 lone 1 84 - 1 - HB3 ARG 135 - HG3 LYS 19 lone 1 88 - 1 - HB2 ARG 84 - HG3 LYS 24 lone 1 92 - 1 - HB2 LEU 100 - HG3 LYS 19 lone 1 65 - 1 - Peak 527 from cnoeabs.peaks (1.38, 1.45, 24.62 ppm; 2.50 A): 1 out of 28 assignments used, quality = 1.00: * HG2 LYS 24 + HG3 LYS 24 OK 100 100 - 100 - 1.8=100 HG2 LYS 24 - HG3 LYS 19 OK 43 95 - 45 - 517=8, ~285=4, ~275=4...(18) HG3 LYS 26 - HG3 LYS 24 OK 43 99 - 43 - 517=5, 483/4.1=3, ~631=3...(20) HG3 LYS 26 - HG3 LYS 19 OK 28 94 - 30 - 517=3, 639/3.0=2, ~252=2...(11) HG2 LYS 36 - HG3 LYS 24 OK 18 100 - 18 - ~1021=2, 1008/2.9=2...(6) HG2 LYS 36 - HG3 LYS 19 lone 7 95 - 7 - HB3 LEU 100 - HG3 LYS 24 lone 6 100 - 6 - HG3 LYS 95 - HG3 LYS 24 lone 3 87 - 3 - HG2 LYS 95 - HG3 LYS 24 lone 3 73 - 3 - HB2 LEU 96 - HG3 LYS 24 lone 2 100 - 2 - QB ALA 15 - HG3 LYS 24 lone 2 98 - 2 - QB ALA 29 - HG3 LYS 24 lone 2 100 - 2 - HB2 LEU 42 - HG3 LYS 24 lone 1 100 - 1 - QB ALA 29 - HG3 LYS 19 lone 1 95 - 1 - QB ALA 28 - HG3 LYS 24 lone 1 96 - 1 - QB ALA 15 - HG3 LYS 19 lone 1 91 - 1 - HG3 LYS 95 - HG3 LYS 19 lone 1 79 - 1 - HB3 LEU 100 - HG3 LYS 19 lone 1 95 - 1 - QB ALA 108 - HG3 LYS 24 lone 1 92 - 1 - HG2 LYS 95 - HG3 LYS 19 lone 1 65 - 1 - HB2 LEU 96 - HG3 LYS 19 lone 1 95 - 1 - QB ALA 110 - HG3 LYS 24 lone 1 98 - 1 - QB ALA 28 - HG3 LYS 19 lone 1 88 - 1 - QB ALA 108 - HG3 LYS 19 lone 0 84 - 1 - HB2 LEU 42 - HG3 LYS 19 lone 0 95 - 0 - QB ALA 110 - HG3 LYS 19 lone 0 91 - 0 - QB ALA 109 - HG3 LYS 24 lone 0 65 - 1 - QB ALA 109 - HG3 LYS 19 lone 0 58 - 0 - Peak 528 from cnoeabs.peaks (1.45, 1.45, 24.62 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 24 + HG3 LYS 24 OK 100 100 - 100 HG3 LYS 19 + HG3 LYS 19 OK 94 94 - 100 Peak 529 from cnoeabs.peaks (1.66, 1.45, 24.62 ppm; 2.74 A): 4 out of 30 assignments used, quality = 1.00: * HD2 LYS 24 + HG3 LYS 24 OK 92 100 - 92 - 3.0=79, 519/1.8=5...(23) HD3 LYS 24 + HG3 LYS 24 OK 91 100 - 92 - 3.0=79, 519/1.8=5...(23) HD2 LYS 31 + HG3 LYS 24 OK 50 100 - 50 - 2.9/836=4, 519/1.8=3...(14) HD3 LYS 31 + HG3 LYS 24 OK 50 100 - 50 - 2.9/836=4, 519/1.8=3...(15) HD2 LYS 26 - HG3 LYS 24 OK 45 100 - 45 - 2.9/527=4, 519/1.8=2...(15) HD3 LYS 26 - HG3 LYS 24 OK 44 98 - 45 - 2.9/527=4, 519/1.8=2...(14) HD2 LYS 24 - HG3 LYS 19 OK 38 95 - 40 - 3.0/517=4, ~285=3...(14) HD3 LYS 24 - HG3 LYS 19 OK 38 95 - 40 - 3.0/517=4, ~285=3...(14) HD2 LYS 31 - HG3 LYS 19 OK 36 95 - 37 - 2.9/836=3, 3.5/803=2...(11) HD3 LYS 31 - HG3 LYS 19 OK 35 95 - 37 - 2.9/836=3, 3.5/803=2...(11) HD2 LYS 26 - HG3 LYS 19 OK 29 95 - 30 - 2.9/527=2, ~277=2...(9) HD3 LYS 26 - HG3 LYS 19 OK 25 91 - 28 - 2.9/527=2, 3.5/283=1...(8) HD2 LYS 36 - HG3 LYS 24 OK 14 65 - 21 - 3.0/527=2, ~1043=1...(6) HD3 LYS 36 - HG3 LYS 24 OK 14 65 - 21 - 3.0/527=2, ~1043=1...(6) HD2 LYS 86 - HG3 LYS 24 lone 7 99 - 7 - HD3 LYS 86 - HG3 LYS 24 lone 7 99 - 7 - HD3 LYS 36 - HG3 LYS 19 poor 7 58 - 11 - HD2 LYS 36 - HG3 LYS 19 poor 7 58 - 11 - HD3 LYS 95 - HG3 LYS 24 lone 4 99 - 4 - HB2 LEU 69 - HG3 LYS 24 lone 3 73 - 4 - HD2 LYS 95 - HG3 LYS 24 lone 3 81 - 4 - HD2 LYS 86 - HG3 LYS 19 lone 2 94 - 2 - HD3 LYS 86 - HG3 LYS 19 lone 2 94 - 2 - HD3 LYS 95 - HG3 LYS 19 lone 1 94 - 1 - HB2 LEU 98 - HG3 LYS 19 lone 1 58 - 2 - HB2 LEU 98 - HG3 LYS 24 lone 1 65 - 1 - HD2 LYS 95 - HG3 LYS 19 lone 1 72 - 1 - QB ALA 88 - HG3 LYS 24 lone 1 100 - 1 - QB ALA 88 - HG3 LYS 19 lone 0 95 - 0 - HB2 LEU 69 - HG3 LYS 19 lone 0 65 - 0 - Peak 530 from cnoeabs.peaks (1.66, 1.45, 24.62 ppm; 2.74 A): 5 out of 26 assignments used, quality = 1.00: * HD3 LYS 24 + HG3 LYS 24 OK 92 100 - 92 - 3.0=79, 519/1.8=5...(23) HD2 LYS 24 + HG3 LYS 24 OK 91 100 - 92 - 3.0=79, 519/1.8=5...(23) HD2 LYS 31 + HG3 LYS 24 OK 50 100 - 50 - 2.9/836=4, 519/1.8=3...(15) HD3 LYS 31 + HG3 LYS 24 OK 50 100 - 50 - 2.9/836=4, 519/1.8=3...(15) HD2 LYS 26 + HG3 LYS 24 OK 45 100 - 45 - 2.9/527=4, 519/1.8=2...(15) HD3 LYS 26 - HG3 LYS 24 OK 44 99 - 45 - 2.9/527=4, 519/1.8=2...(14) HD3 LYS 24 - HG3 LYS 19 OK 38 95 - 40 - 3.0/517=4, ~285=3...(14) HD2 LYS 24 - HG3 LYS 19 OK 38 95 - 40 - 3.0/517=4, ~285=3...(14) HD3 LYS 31 - HG3 LYS 19 OK 36 95 - 37 - 2.9/836=3, 3.5/803=2...(11) HD2 LYS 31 - HG3 LYS 19 OK 35 95 - 37 - 2.9/836=3, 3.5/803=2...(11) HD2 LYS 26 - HG3 LYS 19 OK 29 95 - 30 - 2.9/527=2, ~277=2...(9) HD3 LYS 26 - HG3 LYS 19 OK 26 94 - 28 - 2.9/527=2, 3.5/283=1...(8) HD2 LYS 86 - HG3 LYS 24 lone 7 100 - 7 - HD3 LYS 86 - HG3 LYS 24 lone 7 100 - 7 - HD3 LYS 95 - HG3 LYS 24 lone 4 100 - 4 - HD2 LYS 95 - HG3 LYS 24 lone 3 87 - 4 - HB2 LEU 69 - HG3 LYS 24 lone 3 65 - 4 - HD2 LYS 86 - HG3 LYS 19 lone 2 95 - 2 - HD3 LYS 86 - HG3 LYS 19 lone 2 95 - 2 - HB2 LEU 98 - HG3 LYS 19 lone 1 65 - 2 - HD3 LYS 95 - HG3 LYS 19 lone 1 95 - 1 - HB2 LEU 98 - HG3 LYS 24 lone 1 73 - 1 - HD2 LYS 95 - HG3 LYS 19 lone 1 79 - 1 - QB ALA 88 - HG3 LYS 24 lone 1 100 - 1 - QB ALA 88 - HG3 LYS 19 lone 0 95 - 0 - HB2 LEU 69 - HG3 LYS 19 lone 0 58 - 0 - Peak 531 from cnoeabs.peaks (2.96, 1.45, 24.62 ppm; 3.35 A): 6 out of 16 assignments used, quality = 1.00: * HE2 LYS 24 + HG3 LYS 24 OK 88 100 - 88 - 4.0=60, 520/1.8=7...(34) HE2 LYS 19 + HG3 LYS 19 OK 85 91 - 93 - 3.8=69, 318/1.8=16...(34) HE3 LYS 24 + HG3 LYS 24 OK 75 87 - 86 - 4.0=60, 1.8/561=8...(32) HE3 LYS 19 + HG3 LYS 19 OK 54 58 - 93 - 3.8=69, ~318=10...(36) HE2 LYS 19 + HG3 LYS 24 OK 52 98 - 54 - 3.8/285=7, 561=5...(22) HE2 LYS 24 + HG3 LYS 19 OK 49 95 - 52 - 318/1.8=7, 561=5, ~318=4...(18) HE3 LYS 24 - HG3 LYS 19 OK 36 79 - 46 - 318/1.8=7, ~318=4...(17) HE3 LYS 19 - HG3 LYS 24 OK 33 65 - 50 - 3.8/285=7, 2.9/308=4...(19) HE2 LYS 36 - HG3 LYS 24 OK 31 99 - 31 - 561=3, 520/1.8=3...(10) HE2 LYS 31 - HG3 LYS 24 OK 30 65 - 46 - 3.7/836=4, 3.0/530=3...(16) HE3 LYS 36 - HG3 LYS 24 OK 26 87 - 30 - 1.8/561=2, 520/1.8=2...(9) HE2 LYS 36 - HG3 LYS 19 OK 25 94 - 27 - 318/1.8=4, 561=3, ~318=2...(10) HE2 LYS 31 - HG3 LYS 19 OK 21 58 - 37 - 3.7/836=3, ~329=3...(12) HE3 LYS 36 - HG3 LYS 19 OK 19 79 - 24 - 318/1.8=3, ~318=2...(5) HE3 LYS 86 - HG3 LYS 24 lone 6 96 - 6 - HE3 LYS 86 - HG3 LYS 19 lone 3 88 - 3 - Peak 532 from cnoeabs.peaks (2.96, 1.45, 24.62 ppm; 3.35 A): 7 out of 22 assignments used, quality = 1.00: * HE3 LYS 24 + HG3 LYS 24 OK 86 100 - 86 - 4.0=60, 1.8/561=8...(32) HE3 LYS 19 + HG3 LYS 19 OK 85 91 - 93 - 3.8=69, 329/1.8=15...(36) HE2 LYS 19 + HG3 LYS 19 OK 85 91 - 93 - 3.8=69, 318/1.8=16...(34) HE2 LYS 24 + HG3 LYS 24 OK 76 87 - 88 - 4.0=60, 560/1.8=6...(34) HE2 LYS 19 + HG3 LYS 24 OK 51 98 - 52 - 3.8/285=7, 2.9/308=4...(22) HE3 LYS 19 + HG3 LYS 24 OK 50 98 - 51 - 3.8/285=7, 2.9/308=4...(20) HE2 LYS 31 + HG3 LYS 24 OK 46 98 - 47 - 3.7/836=4, 3.0/530=3...(17) HE3 LYS 24 - HG3 LYS 19 OK 44 95 - 46 - 318/1.8=7, ~318=4...(17) HE3 LYS 31 - HG3 LYS 24 OK 43 87 - 50 - 3.7/836=4, 3.0/530=3...(18) HE2 LYS 24 - HG3 LYS 19 OK 39 79 - 50 - 318/1.8=7, ~318=4, 561=4...(18) HE3 LYS 26 - HG3 LYS 24 OK 39 87 - 45 - 3.6/527=4, 3.0/530=2...(16) HE2 LYS 26 - HG3 LYS 24 OK 39 87 - 45 - 3.6/527=4, 3.0/530=2...(16) HE2 LYS 31 - HG3 LYS 19 OK 36 91 - 40 - 329/1.8=5, 3.7/836=3...(14) HE3 LYS 31 - HG3 LYS 19 OK 32 79 - 40 - 329/1.8=5, 3.7/836=3...(14) HE2 LYS 26 - HG3 LYS 19 OK 31 79 - 40 - 329/1.8=5, ~329=3...(14) HE3 LYS 26 - HG3 LYS 19 OK 31 79 - 40 - 329/1.8=5, ~329=3...(14) HE3 LYS 36 - HG3 LYS 24 OK 29 100 - 29 - 1.8/561=2, ~520=2...(9) HE2 LYS 36 - HG3 LYS 24 OK 28 96 - 29 - 561=2, 520/1.8=2...(9) HE2 LYS 36 - HG3 LYS 19 OK 23 88 - 26 - 318/1.8=4, ~318=2, 561=2...(9) HE3 LYS 36 - HG3 LYS 19 OK 23 95 - 24 - 318/1.8=3, ~318=2...(5) HE3 LYS 86 - HG3 LYS 24 lone 5 99 - 5 - HE3 LYS 86 - HG3 LYS 19 lone 3 94 - 3 - Peak 533 from cnoeabs.peaks (8.10, 1.45, 24.62 ppm; 5.39 A): 2 out of 2 assignments used, quality = 0.96: * H THR 25 + HG3 LYS 24 OK 93 100 - 93 - 6231/4.1=43, 6228/5.1=36...(11) H THR 25 + HG3 LYS 19 OK 50 95 - 53 - 3.6/524=15, 6235=12...(9) Peak 534 from cnoeabs.peaks (8.37, 1.66, 28.90 ppm; 4.80 A): 12 out of 24 assignments used, quality = 1.00: H LYS 26 + HD2 LYS 26 OK 94 99 - 95 - 5.7=59, 6252/2.9=27...(30) * H LYS 24 + HD2 LYS 24 OK 94 100 - 94 - 5.9=53, 6219/5.4=27...(17) H LYS 24 + HD3 LYS 24 OK 93 99 - 94 - 5.9=53, 6219/5.4=27...(18) H LYS 26 + HD3 LYS 26 OK 81 86 - 94 - 5.7=59, 6252/2.9=27...(27) H LYS 26 + HD2 LYS 24 OK 72 100 - 72 - 6253/3.0=12, 6250/3.5=11...(26) H LYS 26 + HD3 LYS 24 OK 72 99 - 72 - 6253/3.0=12, 6250/3.5=11...(26) H LYS 24 + HD2 LYS 26 OK 69 99 - 70 - 626/2.9=17, 6222/2.9=14...(18) H LYS 26 + HD2 LYS 31 OK 67 100 - 67 - 6252/2.9=8, 6254=6...(37) H LYS 26 + HD3 LYS 31 OK 67 99 - 67 - 6252/2.9=8, 6254=6...(37) H LYS 24 + HD3 LYS 26 OK 60 87 - 70 - 626/2.9=17, 6222/2.9=14...(18) H LYS 24 + HD2 LYS 31 OK 56 100 - 56 - 6223/2.9=10, 3.0/486=6...(20) H LYS 24 + HD3 LYS 31 OK 56 99 - 56 - 6223/2.9=10, 3.0/486=6...(20) H GLY 14 - HD2 LYS 26 lone 6 97 - 5 - 626/2.9=1 H GLY 14 - HD2 LYS 24 lone 5 98 - 5 - 512/3.0=1 H GLY 14 - HD3 LYS 24 lone 5 97 - 5 - 512/3.0=1 H GLY 14 - HD3 LYS 26 lone 5 83 - 5 - 626/2.9=1 H GLY 14 - HD2 LYS 31 lone 2 98 - 2 - H GLY 14 - HD3 LYS 31 lone 2 97 - 2 - H HIS 3 - HD2 LYS 26 lone 1 56 - 1 - H HIS 3 - HD2 LYS 24 lone 1 57 - 1 - H HIS 3 - HD3 LYS 24 lone 1 56 - 1 - H HIS 3 - HD3 LYS 26 lone 1 44 - 1 - H HIS 3 - HD2 LYS 31 lone 1 57 - 1 - H HIS 3 - HD3 LYS 31 lone 1 56 - 1 - Peak 535 from cnoeabs.peaks (4.33, 1.66, 28.90 ppm; 3.10 A): 6 out of 30 assignments used, quality = 1.00: * HA LYS 24 + HD2 LYS 24 OK 79 100 - 79 - 5.4=19, 513/3.0=14...(26) HA LYS 24 + HD3 LYS 24 OK 78 99 - 79 - 5.4=19, 513/3.0=14...(25) HA LYS 24 + HD2 LYS 26 OK 56 99 - 57 - 483/2.9=8, 486=6...(21) HA LYS 24 + HD2 LYS 31 OK 53 100 - 53 - 486=6, 484/2.9=6...(15) HA LYS 24 + HD3 LYS 31 OK 53 99 - 53 - 486=6, 484/2.9=6...(15) HA LYS 24 + HD3 LYS 26 OK 48 87 - 56 - 483/2.9=8, 486=6...(21) HA LEU 69 - HD2 LYS 24 lone 9 96 - 10 - 3.9/10739=2, 513/3.0=1 HA LEU 69 - HD3 LYS 24 lone 9 94 - 10 - 3.9/10739=2, 513/3.0=1 HA LEU 69 - HD2 LYS 31 lone 5 96 - 6 - 3.9/10739=2 HA LEU 69 - HD3 LYS 31 lone 5 94 - 5 - 3.9/10739=2 HA ASN 59 - HD2 LYS 24 lone 4 100 - 4 - HA ASN 59 - HD3 LYS 24 lone 4 99 - 4 - HA ASN 59 - HD2 LYS 31 lone 3 100 - 3 - 9359/2.9=2 HA ASN 59 - HD3 LYS 31 lone 3 99 - 3 - 9359/2.9=2 HA LEU 69 - HD2 LYS 26 lone 2 94 - 2 - HA PRO 81 - HD2 LYS 24 lone 2 99 - 2 - HA PRO 81 - HD3 LYS 24 lone 2 98 - 1 - HA ASN 59 - HD2 LYS 26 lone 1 99 - 1 - HA LEU 69 - HD3 LYS 26 lone 1 79 - 2 - HA ASN 59 - HD3 LYS 26 lone 1 86 - 1 - HA PRO 81 - HD2 LYS 26 lone 1 98 - 1 - HA PRO 81 - HD2 LYS 31 lone 1 99 - 0 - HA PRO 81 - HD3 LYS 31 lone 0 98 - 0 - HA ASP 47 - HD2 LYS 24 lone 1 73 - 1 - HA ASP 47 - HD3 LYS 24 lone 0 71 - 1 - HA PRO 81 - HD3 LYS 26 lone 0 85 - 1 - HA ASP 47 - HD2 LYS 26 lone 0 71 - 0 - HA ASP 47 - HD2 LYS 31 lone 0 73 - 0 - HA ASP 47 - HD3 LYS 31 lone 0 71 - 0 - HA ASP 47 - HD3 LYS 26 lone 0 57 - 0 - Peak 536 from cnoeabs.peaks (1.75, 1.66, 28.90 ppm; 3.09 A): 22 out of 36 assignments used, quality = 1.00: * HB2 LYS 24 + HD2 LYS 24 OK 91 100 - 91 - 3.5=67, 494/3.0=5...(52) HB2 LYS 24 + HD3 LYS 24 OK 91 99 - 91 - 3.5=67, 494/3.0=5...(51) HB2 LYS 26 + HD2 LYS 26 OK 89 97 - 92 - 3.5=69, 628/2.9=9...(48) HB2 LYS 31 + HD2 LYS 31 OK 89 96 - 93 - 3.5=70, 804/2.9=10...(49) HB2 LYS 31 + HD3 LYS 31 OK 87 94 - 93 - 3.5=70, 804/2.9=10...(51) HB2 LYS 26 + HD3 LYS 26 OK 76 83 - 92 - 3.5=69, 628/2.9=9...(49) HB2 LYS 24 + HD2 LYS 31 OK 63 100 - 63 - 823/2.9=5, 834/2.9=5...(31) HB2 LYS 26 + HD2 LYS 31 OK 63 98 - 64 - 834/2.9=4, 823/2.9=4...(31) HB2 LYS 24 + HD3 LYS 31 OK 63 99 - 63 - 823/2.9=5, 834/2.9=5...(31) HB2 LYS 26 + HD3 LYS 31 OK 62 97 - 64 - 834/2.9=4, 823/2.9=4...(30) HB2 LYS 24 + HD2 LYS 26 OK 59 99 - 60 - 628/2.9=5, 639/2.9=3...(31) HB2 LYS 31 + HD2 LYS 26 OK 58 94 - 62 - 628/2.9=4, 806=4...(29) HB2 LYS 31 + HD2 LYS 24 OK 57 96 - 60 - 806=4, 803/3.0=3...(26) HB2 LYS 31 + HD3 LYS 24 OK 56 94 - 60 - 806=4, 803/3.0=3...(26) HB2 LYS 26 + HD2 LYS 24 OK 55 98 - 56 - 514/3.0=3, 1.8/621=3...(27) HB2 LYS 26 + HD3 LYS 24 OK 54 97 - 56 - 514/3.0=3, 1.8/621=3...(27) HB2 LYS 24 + HD3 LYS 26 OK 51 87 - 59 - 628/2.9=5, 639/2.9=3...(29) HB2 LYS 19 + HD2 LYS 31 OK 50 98 - 51 - 823/2.9=3, 834/2.9=3...(16) HB2 LYS 19 + HD3 LYS 31 OK 50 97 - 51 - 823/2.9=3, 834/2.9=3...(16) HB2 LYS 31 + HD3 LYS 26 OK 49 79 - 62 - 628/2.9=4, 806=4...(27) HB2 LYS 19 + HD2 LYS 24 OK 48 98 - 50 - 514/3.0=3, 253/3.0=3...(22) HB2 LYS 19 + HD3 LYS 24 OK 48 97 - 50 - 514/3.0=3, 253/3.0=3...(22) HB2 LYS 19 - HD2 LYS 26 OK 45 97 - 46 - 628/2.9=4, 639/2.9=3...(18) HB2 LYS 19 - HD3 LYS 26 OK 35 83 - 42 - 628/2.9=4, 639/2.9=3...(14) HG13 ILE 129 - HD2 LYS 26 lone 8 97 - 9 - ~10483=2, ~10491=2...(4) HB2 ARG 23 - HD2 LYS 26 poor 8 71 - 12 - 428/3.5=2, 628/2.9=2...(4) HG13 ILE 129 - HD3 LYS 26 lone 7 83 - 9 - ~10483=2, ~10491=2...(4) HB2 ARG 23 - HD3 LYS 26 poor 7 57 - 12 - 428/3.5=2, 628/2.9=2...(4) HB2 ARG 23 - HD2 LYS 24 lone 6 73 - 8 - 6213/5.9=2 HB2 ARG 23 - HD3 LYS 24 lone 5 71 - 8 - 6213/5.9=2 HG13 ILE 129 - HD2 LYS 31 lone 3 98 - 3 - HG13 ILE 129 - HD3 LYS 31 lone 3 97 - 3 - HB2 ARG 23 - HD2 LYS 31 lone 2 73 - 3 - HB2 ARG 23 - HD3 LYS 31 lone 2 71 - 3 - HG13 ILE 129 - HD2 LYS 24 lone 1 98 - 1 - HG13 ILE 129 - HD3 LYS 24 lone 1 97 - 1 - Peak 537 from cnoeabs.peaks (1.81, 1.66, 28.90 ppm; 2.80 A): 14 out of 66 assignments used, quality = 1.00: HB3 LYS 31 + HD2 LYS 31 OK 83 99 - 84 - 3.5=51, 815/2.9=7...(32) HB3 LYS 31 + HD3 LYS 31 OK 82 98 - 84 - 3.5=51, 815/2.9=7...(32) * HB3 LYS 24 + HD2 LYS 24 OK 81 100 - 81 - 3.5=50, 515/3.0=4...(40) HB3 LYS 24 + HD3 LYS 24 OK 81 99 - 81 - 3.5=50, 515/3.0=4...(40) HB3 LYS 26 + HD2 LYS 26 OK 75 90 - 83 - 3.5=51, 619/2.9=9...(34) HB3 LYS 26 + HD3 LYS 26 OK 62 75 - 82 - 3.5=51, 619/2.9=9...(32) HB3 LYS 24 + HD2 LYS 31 OK 55 100 - 55 - 835/2.9=4, 824/2.9=4...(18) HB3 LYS 24 + HD3 LYS 31 OK 55 99 - 55 - 835/2.9=4, 824/2.9=4...(18) HB3 LYS 26 + HD2 LYS 31 OK 52 92 - 56 - 621=4, 3.0/632=3...(16) HB3 LYS 31 + HD2 LYS 26 OK 51 98 - 52 - 3.0/839=3, 1.8/806=3...(21) HB3 LYS 26 + HD3 LYS 31 OK 50 90 - 56 - 621=4, 3.0/632=3...(16) HB3 LYS 24 + HD2 LYS 26 OK 50 99 - 50 - 629/2.9=3, 3.0/486=3...(22) HB3 LYS 31 + HD2 LYS 24 OK 49 99 - 49 - 3.0/839=3, 1.8/806=2...(23) HB3 LYS 31 + HD3 LYS 24 OK 48 98 - 49 - 3.0/839=3, 1.8/806=2...(23) HB3 LYS 26 - HD2 LYS 24 OK 45 92 - 49 - 621=3, 620/3.0=3...(17) HB3 LYS 31 - HD3 LYS 26 OK 44 85 - 52 - 3.0/839=3, 817=2...(21) HB3 LYS 26 - HD3 LYS 24 OK 44 90 - 49 - 621=3, 620/3.0=3...(17) HB3 LYS 19 - HD2 LYS 31 OK 43 99 - 43 - 835/2.9=3, 824/2.9=3...(12) HB3 LYS 24 - HD3 LYS 26 OK 42 87 - 49 - 629/2.9=3, 3.0/486=3...(22) HB3 LYS 19 - HD3 LYS 31 OK 42 98 - 43 - 835/2.9=3, 824/2.9=3...(12) HB3 LYS 19 - HD2 LYS 24 OK 40 99 - 41 - 515/3.0=2, 817=2...(15) HB3 LYS 19 - HD3 LYS 24 OK 40 98 - 41 - 515/3.0=2, 817=2...(15) HB3 LYS 19 - HD2 LYS 26 OK 37 98 - 38 - 629/2.9=2, 817=2, ~628=2...(12) HB ILE 32 - HD2 LYS 31 OK 31 96 - 33 - 900/2.9=3, 835/2.9=2...(14) HB ILE 32 - HD3 LYS 31 OK 31 94 - 33 - 900/2.9=3, 835/2.9=2...(14) HB3 LYS 19 - HD3 LYS 26 OK 29 85 - 34 - 629/2.9=2, ~628=2, 817=2...(11) HB2 LYS 36 - HD3 LYS 24 OK 27 97 - 29 - 988/3.0=2, 990/1.8=2...(8) HB2 LYS 36 - HD2 LYS 24 OK 24 98 - 24 - 988/3.0=2, ~999=2...(6) HB2 LYS 36 - HD3 LYS 31 OK 23 97 - 24 - 991/1.8=2, 835/2.9=1...(5) HB2 LYS 36 - HD2 LYS 31 OK 20 98 - 21 - 835/2.9=1, 824/2.9=1 HB ILE 32 - HD2 LYS 26 OK 17 94 - 18 - 900/2.9=2, ~10840=1...(6) HB ILE 32 - HD3 LYS 26 OK 14 79 - 18 - 900/2.9=2, ~10840=1...(6) HB ILE 32 - HD2 LYS 24 OK 12 96 - 12 - 900/3.0=2 HB ILE 32 - HD3 LYS 24 OK 11 94 - 12 - 900/3.0=2 HB2 LYS 36 - HD2 LYS 26 OK 11 97 - 12 - 988/2.9=2, ~999=1, 629/2.9=1 HB2 LYS 36 - HD3 LYS 26 poor 10 83 - 12 - 988/2.9=2, ~999=1, 629/2.9=1 HB2 LEU 100 - HD2 LYS 26 lone 6 71 - 8 - 3.2/11389=2 HB3 LEU 123 - HD2 LYS 26 lone 5 63 - 9 - ~10756=3, ~11421=1 HB3 ARG 23 - HD2 LYS 26 lone 5 64 - 8 - 436/3.5=1, 629/2.9=1 HB2 LEU 100 - HD3 LYS 26 lone 5 57 - 8 - 3.2/11389=2 HB2 LEU 100 - HD2 LYS 24 lone 4 73 - 6 - 3.2/11389=1 HB2 LEU 100 - HD3 LYS 24 lone 4 71 - 6 - 3.2/11389=1 HB3 ARG 23 - HD3 LYS 26 lone 4 50 - 8 - 436/3.5=1, 629/2.9=1 HB3 LEU 123 - HD3 LYS 26 lone 4 50 - 8 - ~10756=3, ~11421=1 HB3 ARG 23 - HD2 LYS 24 lone 4 65 - 6 - 6214/5.9=1 HB3 ARG 23 - HD3 LYS 24 lone 4 64 - 6 - 6214/5.9=1 HB3 LEU 123 - HD2 LYS 24 lone 1 64 - 2 - HB3 ARG 23 - HD2 LYS 31 lone 1 65 - 2 - HB3 ARG 23 - HD3 LYS 31 lone 1 64 - 2 - HB3 LEU 123 - HD3 LYS 24 lone 1 63 - 2 - HB3 ARG 135 - HD2 LYS 31 lone 1 96 - 1 - HB2 LEU 100 - HD2 LYS 31 lone 1 73 - 1 - HB2 ARG 84 - HD2 LYS 31 lone 1 92 - 1 - HB3 ARG 135 - HD3 LYS 31 lone 1 94 - 1 - HB2 ARG 84 - HD3 LYS 31 lone 1 90 - 1 - HB2 LEU 100 - HD3 LYS 31 lone 1 71 - 1 - HB3 LEU 123 - HD2 LYS 31 lone 1 64 - 1 - HB3 ARG 135 - HD2 LYS 26 lone 1 94 - 1 - HB3 ARG 135 - HD2 LYS 24 lone 1 96 - 1 - HB3 LEU 123 - HD3 LYS 31 lone 1 63 - 1 - HB3 ARG 135 - HD3 LYS 24 lone 1 94 - 1 - HB3 ARG 135 - HD3 LYS 26 lone 0 79 - 1 - HB2 ARG 84 - HD2 LYS 24 lone 0 92 - 0 - HB2 ARG 84 - HD3 LYS 24 lone 0 90 - 0 - HB2 ARG 84 - HD2 LYS 26 lone 0 90 - 0 - HB2 ARG 84 - HD3 LYS 26 lone 0 75 - 0 - Peak 538 from cnoeabs.peaks (1.38, 1.66, 28.90 ppm; 2.57 A): 6 out of 84 assignments used, quality = 1.00: HG3 LYS 26 + HD2 LYS 26 OK 85 98 - 87 - 2.9=71, 1.8/632=6...(24) * HG2 LYS 24 + HD2 LYS 24 OK 84 100 - 84 - 3.0=65, 519/1.8=4...(17) HG2 LYS 24 + HD3 LYS 24 OK 84 99 - 84 - 3.0=65, 519/1.8=4...(17) HG3 LYS 26 + HD3 LYS 26 OK 74 85 - 87 - 2.9=71, 1.8/632=6...(24) HG3 LYS 26 + HD2 LYS 31 OK 47 99 - 47 - 1.8/632=4, 643=4...(18) HG3 LYS 26 + HD3 LYS 31 OK 46 98 - 47 - 1.8/632=4, 643=4...(18) HG2 LYS 24 - HD2 LYS 31 OK 44 100 - 44 - 519=4, 517/2.9=3...(11) HG2 LYS 24 - HD3 LYS 31 OK 43 99 - 44 - 519=4, 517/2.9=3...(11) HG2 LYS 24 - HD2 LYS 26 OK 42 99 - 43 - 631/2.9=4, 519=3...(11) HG3 LYS 26 - HD2 LYS 24 OK 41 99 - 42 - 527/3.0=3, 643=3...(15) HG3 LYS 26 - HD3 LYS 24 OK 41 98 - 42 - 527/3.0=3, 643=3...(14) HG2 LYS 24 - HD3 LYS 26 OK 36 87 - 41 - 631/2.9=4, 519=3...(12) HG2 LYS 36 - HD3 LYS 24 OK 25 99 - 25 - 1012/1.8=2, 1014/3.0=2...(7) HG2 LYS 36 - HD2 LYS 24 OK 22 100 - 23 - 1014/3.0=2, 1015/3.0=2...(5) HG2 LYS 36 - HD3 LYS 31 OK 17 99 - 17 - 1012/1.8=2, 1008/3.5=1 HG2 LYS 36 - HD2 LYS 31 OK 15 100 - 15 - 1008/3.5=1 HG3 LYS 95 - HD2 LYS 31 poor 10 87 - 11 - HG2 LYS 36 - HD2 LYS 26 lone 10 99 - 10 - 1008/3.5=1, 631/2.9=1 HG3 LYS 95 - HD3 LYS 31 poor 10 85 - 11 - QB ALA 15 - HD2 LYS 31 lone 9 98 - 10 - 10790/3.5=4 QB ALA 15 - HD3 LYS 31 lone 9 97 - 10 - 10790/3.5=4 HB2 LEU 96 - HD2 LYS 31 lone 9 100 - 9 - 3070/2.9=2, 3.2/11694=2 HB2 LEU 96 - HD3 LYS 31 lone 9 99 - 9 - 3070/2.9=2, 3.2/11694=2 HG2 LYS 36 - HD3 LYS 26 lone 8 86 - 10 - 1008/3.5=1, 631/2.9=1 HB3 LEU 100 - HD2 LYS 26 lone 8 99 - 8 - 3243/3.5=1, 3.2/11389=1 HG2 LYS 95 - HD2 LYS 31 poor 8 73 - 11 - HG2 LYS 95 - HD3 LYS 31 poor 8 71 - 11 - HB3 LEU 100 - HD3 LYS 26 lone 7 87 - 8 - 3243/3.5=1, 3.2/11389=1 HB3 LEU 100 - HD2 LYS 24 lone 6 100 - 6 - HB3 LEU 100 - HD3 LYS 24 lone 6 99 - 6 - HG3 LYS 95 - HD2 LYS 26 lone 5 85 - 6 - HG3 LYS 95 - HD2 LYS 24 lone 4 87 - 5 - HG2 LYS 95 - HD2 LYS 26 lone 4 71 - 6 - HG3 LYS 95 - HD3 LYS 24 lone 4 85 - 5 - HG3 LYS 95 - HD3 LYS 26 lone 4 70 - 6 - HG2 LYS 95 - HD2 LYS 24 lone 4 73 - 5 - HG2 LYS 95 - HD3 LYS 24 lone 3 71 - 5 - HG2 LYS 95 - HD3 LYS 26 lone 3 57 - 6 - HB2 LEU 96 - HD2 LYS 26 lone 3 99 - 3 - HB2 LEU 96 - HD2 LYS 24 lone 3 100 - 3 - HB2 LEU 96 - HD3 LYS 24 lone 3 99 - 3 - HB2 LEU 96 - HD3 LYS 26 lone 3 86 - 3 - QB ALA 108 - HD2 LYS 31 lone 2 92 - 2 - QB ALA 108 - HD3 LYS 31 lone 2 90 - 2 - QB ALA 29 - HD2 LYS 31 lone 2 100 - 2 - QB ALA 29 - HD3 LYS 31 lone 2 99 - 2 - QB ALA 28 - HD3 LYS 26 lone 2 79 - 3 - QB ALA 28 - HD2 LYS 26 lone 2 94 - 2 - HB2 LEU 42 - HD2 LYS 24 lone 1 100 - 1 - QB ALA 28 - HD3 LYS 31 lone 1 94 - 2 - QB ALA 28 - HD2 LYS 31 lone 1 96 - 2 - HB2 LEU 42 - HD3 LYS 24 lone 1 99 - 1 - QB ALA 15 - HD2 LYS 24 lone 1 98 - 1 - QB ALA 15 - HD3 LYS 24 lone 1 97 - 1 - QB ALA 29 - HD2 LYS 26 lone 1 99 - 1 - QB ALA 29 - HD2 LYS 24 lone 1 100 - 1 - QB ALA 29 - HD3 LYS 24 lone 1 99 - 1 - QB ALA 28 - HD2 LYS 24 lone 1 96 - 1 - QB ALA 28 - HD3 LYS 24 lone 1 94 - 1 - QB ALA 109 - HD2 LYS 31 lone 1 65 - 2 - QB ALA 110 - HD2 LYS 31 lone 1 98 - 1 - HB3 LEU 100 - HD2 LYS 31 lone 1 100 - 1 - QB ALA 110 - HD3 LYS 31 lone 1 97 - 1 - QB ALA 109 - HD3 LYS 31 lone 1 64 - 2 - HB3 LEU 100 - HD3 LYS 31 lone 1 99 - 1 - QB ALA 29 - HD3 LYS 26 lone 1 86 - 1 - QB ALA 15 - HD2 LYS 26 lone 1 97 - 1 - HB2 LEU 42 - HD2 LYS 26 lone 1 99 - 1 - QB ALA 15 - HD3 LYS 26 lone 1 83 - 1 - HB2 LEU 42 - HD3 LYS 26 lone 1 86 - 1 - QB ALA 108 - HD2 LYS 26 lone 1 90 - 1 - QB ALA 108 - HD3 LYS 26 lone 1 75 - 1 - QB ALA 108 - HD2 LYS 24 lone 1 92 - 1 - QB ALA 110 - HD2 LYS 24 lone 1 98 - 1 - QB ALA 108 - HD3 LYS 24 lone 1 90 - 1 - QB ALA 110 - HD2 LYS 26 lone 1 97 - 1 - QB ALA 110 - HD3 LYS 24 lone 1 97 - 1 - QB ALA 110 - HD3 LYS 26 lone 1 83 - 1 - QB ALA 109 - HD2 LYS 26 lone 0 64 - 1 - HB2 LEU 42 - HD2 LYS 31 lone 0 100 - 0 - HB2 LEU 42 - HD3 LYS 31 lone 0 99 - 0 - QB ALA 109 - HD3 LYS 26 lone 0 50 - 1 - QB ALA 109 - HD2 LYS 24 lone 0 65 - 0 - QB ALA 109 - HD3 LYS 24 lone 0 64 - 0 - Peak 539 from cnoeabs.peaks (1.45, 1.66, 28.90 ppm; 2.50 A): 4 out of 24 assignments used, quality = 1.00: * HG3 LYS 24 + HD2 LYS 24 OK 80 100 - 80 - 3.0=60, 1.8/519=4...(17) HG3 LYS 24 + HD3 LYS 24 OK 80 99 - 80 - 3.0=60, 1.8/519=4...(17) HG2 LYS 31 + HD2 LYS 31 OK 76 96 - 80 - 2.9=61, 1.8/839=6...(18) HG2 LYS 31 + HD3 LYS 31 OK 75 94 - 80 - 2.9=61, 1.8/839=6...(18) HG3 LYS 24 - HD2 LYS 31 OK 42 100 - 42 - 530=3, 836/2.9=3...(9) HG3 LYS 24 - HD3 LYS 31 OK 42 99 - 42 - 530=3, 836/2.9=3...(9) HG2 LYS 31 - HD2 LYS 26 OK 38 94 - 41 - 1.8/839=3, 828=3...(12) HG2 LYS 31 - HD2 LYS 24 OK 38 96 - 39 - 1.8/839=3, 828=3...(14) HG3 LYS 24 - HD2 LYS 26 OK 37 99 - 38 - 527/2.9=3, 530=3...(10) HG2 LYS 31 - HD3 LYS 24 OK 37 94 - 39 - 1.8/839=3, 828=3...(14) HG3 LYS 19 - HD2 LYS 24 OK 34 99 - 34 - 517/3.0=3, 530=2, ~285=2...(10) HG3 LYS 19 - HD3 LYS 24 OK 34 98 - 34 - 517/3.0=3, 530=2, ~285=2...(10) HG3 LYS 24 - HD3 LYS 26 OK 32 87 - 37 - 527/2.9=3, 530=3...(11) HG2 LYS 31 - HD3 LYS 26 OK 32 79 - 40 - 1.8/839=3, 828=3...(12) HG3 LYS 19 - HD2 LYS 31 OK 31 99 - 31 - 836/2.9=2, 530=2...(7) HG3 LYS 19 - HD3 LYS 31 OK 31 98 - 31 - 836/2.9=2, 530=2...(7) HG3 LYS 19 - HD2 LYS 26 OK 25 98 - 26 - 527/2.9=2, 530=2...(6) HG3 LYS 19 - HD3 LYS 26 OK 19 85 - 23 - 527/2.9=2, 530=2...(4) HG13 ILE 32 - HD2 LYS 31 OK 18 81 - 22 - 836/2.9=2, 921/3.5=1...(7) HG13 ILE 32 - HD3 LYS 31 OK 17 79 - 22 - 836/2.9=2, 921/3.5=1...(7) HG13 ILE 32 - HD2 LYS 26 poor 9 79 - 12 - 921/3.5=1 HG13 ILE 32 - HD3 LYS 26 poor 7 64 - 12 - 921/3.5=1 HG13 ILE 32 - HD2 LYS 24 lone 7 81 - 8 - HG13 ILE 32 - HD3 LYS 24 lone 7 79 - 8 - Peak 540 from cnoeabs.peaks (1.66, 1.66, 28.90 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: HD2 LYS 31 + HD2 LYS 31 OK 100 100 - 100 * HD2 LYS 24 + HD2 LYS 24 OK 100 100 - 100 HD3 LYS 31 + HD3 LYS 31 OK 99 99 - 100 HD3 LYS 24 + HD3 LYS 24 OK 99 99 - 100 HD2 LYS 26 + HD2 LYS 26 OK 99 99 - 100 HD3 LYS 26 + HD3 LYS 26 OK 83 83 - 100 Peak 541 from cnoeabs.peaks (1.66, 1.66, 28.90 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: HD2 LYS 31 + HD2 LYS 31 OK 100 100 - 100 HD2 LYS 24 + HD2 LYS 24 OK 100 100 - 100 HD3 LYS 31 + HD3 LYS 31 OK 99 99 - 100 HD3 LYS 24 + HD3 LYS 24 OK 99 99 - 100 HD2 LYS 26 + HD2 LYS 26 OK 99 99 - 100 HD3 LYS 26 + HD3 LYS 26 OK 85 85 - 100 Reference assignment not found: HD3 LYS 24 - HD2 LYS 24 Peak 542 from cnoeabs.peaks (2.96, 1.66, 28.90 ppm; 2.50 A): 6 out of 48 assignments used, quality = 1.00: HE2 LYS 24 + HD3 LYS 24 OK 73 99 - 73 - 3.0=59, 563/1.8=4...(11) * HE2 LYS 24 + HD2 LYS 24 OK 72 100 - 72 - 3.0=59, 563/1.8=4...(9) HE3 LYS 24 + HD2 LYS 24 OK 62 87 - 71 - 3.0=59, 1.8/563=4...(10) HE3 LYS 24 + HD3 LYS 24 OK 61 85 - 72 - 3.0=59, 1.8/563=4...(12) HE2 LYS 31 + HD2 LYS 31 OK 48 65 - 73 - 3.0=58, 3.7/839=3...(14) HE2 LYS 31 + HD3 LYS 31 OK 47 64 - 73 - 3.0=58, 3.7/839=3...(14) HE2 LYS 24 - HD3 LYS 31 OK 24 99 - 24 - 563=2, 561/2.9=2...(4) HE2 LYS 24 - HD2 LYS 31 OK 23 100 - 23 - 563=2, 561/2.9=2...(4) HE2 LYS 19 - HD3 LYS 31 OK 19 97 - 19 - 563=1, 561/2.9=1 HE2 LYS 19 - HD2 LYS 31 OK 19 98 - 19 - 563=1, 561/2.9=1 HE2 LYS 19 - HD3 LYS 24 OK 18 97 - 19 - 520/3.0=2, 561/3.0=2...(4) HE2 LYS 19 - HD2 LYS 24 OK 18 98 - 19 - 520/3.0=2, 561/3.0=2...(4) HE2 LYS 24 - HD2 LYS 26 OK 16 99 - 17 - 560/2.9=1, 563=1, 558/3.5=1 HE3 LYS 24 - HD3 LYS 31 OK 16 85 - 19 - 1.8/563=1 HE3 LYS 24 - HD2 LYS 31 OK 16 87 - 19 - 1.8/563=1 HE2 LYS 24 - HD3 LYS 26 OK 14 87 - 16 - 560/2.9=1, 563=1, 558/3.5=1 HE2 LYS 31 - HD2 LYS 26 OK 12 64 - 20 - 3.7/839=2, 3.7/828=1 HE2 LYS 19 - HD2 LYS 26 OK 12 97 - 12 - HE2 LYS 36 - HD2 LYS 24 OK 12 99 - 12 - 520/3.0=1 HE2 LYS 36 - HD3 LYS 24 OK 12 98 - 12 - 520/3.0=1 HE3 LYS 24 - HD2 LYS 26 OK 11 85 - 13 - HE3 LYS 19 - HD3 LYS 24 OK 11 64 - 17 - 520/3.0=1 HE3 LYS 19 - HD2 LYS 24 OK 10 65 - 16 - 520/3.0=1 HE3 LYS 19 - HD3 LYS 31 OK 10 64 - 16 - HE2 LYS 36 - HD3 LYS 31 OK 10 98 - 10 - HE2 LYS 36 - HD2 LYS 31 OK 10 99 - 10 - HE2 LYS 31 - HD2 LYS 24 OK 10 65 - 16 - 3.7/839=1, 3.7/828=1 HE3 LYS 19 - HD2 LYS 31 poor 10 65 - 15 - HE2 LYS 19 - HD3 LYS 26 poor 10 83 - 12 - HE2 LYS 31 - HD3 LYS 24 poor 10 64 - 16 - 3.7/839=1, 3.7/828=1 HE2 LYS 31 - HD3 LYS 26 poor 10 50 - 19 - 3.7/839=2, 3.7/828=1 HE3 LYS 36 - HD2 LYS 24 poor 10 87 - 11 - HE3 LYS 36 - HD3 LYS 24 poor 9 85 - 11 - HE3 LYS 86 - HD2 LYS 24 lone 9 96 - 9 - 1.8/2699=1 HE3 LYS 86 - HD3 LYS 24 lone 9 94 - 9 - 1.8/2698=1 HE3 LYS 24 - HD3 LYS 26 poor 8 70 - 12 - HE3 LYS 36 - HD3 LYS 31 lone 8 85 - 9 - HE3 LYS 36 - HD2 LYS 31 lone 8 87 - 9 - HE3 LYS 86 - HD2 LYS 31 lone 6 96 - 6 - HE3 LYS 86 - HD3 LYS 31 lone 6 94 - 6 - HE3 LYS 19 - HD2 LYS 26 lone 6 64 - 9 - HE2 LYS 36 - HD2 LYS 26 lone 6 98 - 6 - HE2 LYS 36 - HD3 LYS 26 lone 5 85 - 6 - HE3 LYS 19 - HD3 LYS 26 lone 4 50 - 9 - HE3 LYS 36 - HD2 LYS 26 lone 4 85 - 5 - HE3 LYS 86 - HD2 LYS 26 lone 3 94 - 3 - HE3 LYS 36 - HD3 LYS 26 lone 3 70 - 5 - HE3 LYS 86 - HD3 LYS 26 lone 3 79 - 3 - Peak 543 from cnoeabs.peaks (2.96, 1.66, 28.90 ppm; 2.50 A): 12 out of 66 assignments used, quality = 1.00: HE2 LYS 31 + HD2 LYS 31 OK 73 98 - 74 - 3.0=58, 3.7/839=3...(14) HE2 LYS 31 + HD3 LYS 31 OK 72 97 - 74 - 3.0=58, 3.7/839=3...(14) HE3 LYS 24 + HD3 LYS 24 OK 71 99 - 72 - 3.0=59, 1.8/563=4...(12) * HE3 LYS 24 + HD2 LYS 24 OK 71 100 - 71 - 3.0=59, 1.8/563=4...(10) HE3 LYS 31 + HD2 LYS 31 OK 65 87 - 75 - 3.0=58, 3.7/839=3...(12) HE3 LYS 31 + HD3 LYS 31 OK 64 85 - 75 - 3.0=58, 3.7/839=3...(13) HE2 LYS 24 + HD2 LYS 24 OK 62 87 - 71 - 3.0=59, 563/1.8=3...(8) HE3 LYS 26 + HD2 LYS 26 OK 62 85 - 73 - 3.0=58, 3.6/632=3...(16) HE2 LYS 26 + HD2 LYS 26 OK 62 85 - 73 - 3.0=58, 3.6/632=3...(16) HE2 LYS 24 + HD3 LYS 24 OK 61 85 - 72 - 3.0=59, 563/1.8=3...(10) HE2 LYS 26 + HD3 LYS 26 OK 50 70 - 72 - 3.0=58, 3.6/632=3...(15) HE3 LYS 26 + HD3 LYS 26 OK 50 70 - 72 - 3.0=58, 3.6/632=3...(15) HE2 LYS 26 - HD2 LYS 31 OK 23 87 - 27 - 3.6/632=2, 840/2.9=1...(5) HE3 LYS 26 - HD2 LYS 31 OK 23 87 - 27 - 3.6/632=2, 840/2.9=1...(5) HE3 LYS 26 - HD3 LYS 31 OK 22 85 - 27 - 3.6/632=2, 840/2.9=1...(5) HE2 LYS 26 - HD3 LYS 31 OK 22 85 - 27 - 3.6/632=2, 840/2.9=1...(5) HE2 LYS 31 - HD2 LYS 26 OK 21 97 - 22 - 3.7/839=2, 3.7/828=1, 634/2.9=1 HE3 LYS 24 - HD3 LYS 31 OK 20 99 - 21 - 1.8/563=1, 840/2.9=1...(4) HE3 LYS 24 - HD2 LYS 31 OK 20 100 - 20 - 1.8/563=1, 840/2.9=1...(4) HE2 LYS 24 - HD3 LYS 31 OK 19 85 - 23 - 563=2, 561/2.9=1 HE2 LYS 24 - HD2 LYS 31 OK 19 87 - 22 - 563=2, 561/2.9=1 HE3 LYS 31 - HD2 LYS 26 OK 19 85 - 22 - 3.7/839=2, 635/2.9=1, 3.7/828=1 HE2 LYS 19 - HD3 LYS 31 OK 19 97 - 19 - 563=1 HE2 LYS 19 - HD2 LYS 31 OK 19 98 - 19 - 563=1 HE2 LYS 31 - HD3 LYS 26 OK 17 83 - 21 - 3.7/839=2, 3.7/828=1, 634/2.9=1 HE3 LYS 19 - HD3 LYS 31 OK 17 97 - 18 - 840/2.9=1, 829/2.9=1 HE2 LYS 19 - HD3 LYS 24 OK 17 97 - 18 - 520/3.0=1, 319/3.0=1, 563=1 HE2 LYS 19 - HD2 LYS 24 OK 17 98 - 17 - 520/3.0=1, 319/3.0=1, 563=1 HE3 LYS 19 - HD3 LYS 24 OK 17 97 - 17 - HE3 LYS 19 - HD2 LYS 31 OK 17 98 - 17 - 840/2.9=1, 829/2.9=1 HE3 LYS 19 - HD2 LYS 24 OK 16 98 - 17 - HE2 LYS 31 - HD2 LYS 24 OK 16 98 - 16 - 3.7/839=1, 3.7/828=1 HE2 LYS 31 - HD3 LYS 24 OK 15 97 - 16 - 3.7/839=1, 3.7/828=1 HE3 LYS 31 - HD3 LYS 26 OK 15 70 - 22 - 3.7/839=2, 635/2.9=1, 3.7/828=1 HE3 LYS 31 - HD2 LYS 24 OK 15 87 - 17 - 3.7/839=1, 3.7/828=1 HE3 LYS 31 - HD3 LYS 24 OK 15 85 - 17 - 3.7/839=1, 3.7/828=1 HE3 LYS 24 - HD2 LYS 26 OK 14 99 - 14 - HE2 LYS 24 - HD2 LYS 26 OK 13 85 - 16 - 560/2.9=1, 563=1 HE3 LYS 26 - HD2 LYS 24 OK 12 87 - 14 - 3.6/632=1 HE2 LYS 26 - HD2 LYS 24 OK 12 87 - 14 - 3.6/632=1 HE2 LYS 19 - HD2 LYS 26 OK 12 97 - 12 - HE3 LYS 26 - HD3 LYS 24 OK 12 85 - 14 - 3.6/632=1 HE2 LYS 26 - HD3 LYS 24 OK 12 85 - 14 - 3.6/632=1 HE3 LYS 24 - HD3 LYS 26 OK 12 87 - 13 - HE3 LYS 36 - HD2 LYS 24 OK 11 100 - 11 - HE3 LYS 36 - HD3 LYS 24 OK 11 99 - 11 - HE3 LYS 19 - HD2 LYS 26 OK 11 97 - 11 - HE2 LYS 36 - HD2 LYS 24 OK 10 96 - 11 - HE2 LYS 24 - HD3 LYS 26 OK 10 70 - 15 - 560/2.9=1, 563=1 HE2 LYS 36 - HD3 LYS 24 OK 10 94 - 11 - HE3 LYS 36 - HD3 LYS 31 lone 10 99 - 10 - HE3 LYS 36 - HD2 LYS 31 lone 10 100 - 10 - HE2 LYS 19 - HD3 LYS 26 poor 10 83 - 12 - HE2 LYS 36 - HD2 LYS 31 lone 9 96 - 10 - HE2 LYS 36 - HD3 LYS 31 lone 9 94 - 10 - HE3 LYS 86 - HD2 LYS 24 lone 9 99 - 9 - 1.8/2698=1 HE3 LYS 86 - HD3 LYS 24 lone 9 98 - 9 - 1.8/2698=1 HE3 LYS 19 - HD3 LYS 26 poor 8 83 - 10 - HE3 LYS 86 - HD2 LYS 31 lone 6 99 - 6 - HE3 LYS 86 - HD3 LYS 31 lone 6 98 - 6 - HE3 LYS 36 - HD2 LYS 26 lone 6 99 - 6 - HE2 LYS 36 - HD2 LYS 26 lone 5 94 - 6 - HE3 LYS 36 - HD3 LYS 26 lone 5 87 - 5 - HE2 LYS 36 - HD3 LYS 26 lone 4 79 - 5 - HE3 LYS 86 - HD2 LYS 26 lone 3 98 - 3 - HE3 LYS 86 - HD3 LYS 26 lone 3 85 - 3 - Peak 544 from cnoeabs.peaks (8.10, 1.66, 28.90 ppm; 4.04 A): 3 out of 6 assignments used, quality = 0.96: * H THR 25 + HD2 LYS 24 OK 73 100 - 73 - 6231/5.4=18, 511/3.5=17...(11) H THR 25 + HD3 LYS 24 OK 72 99 - 73 - 6231/5.4=18, 511/3.5=17...(11) H THR 25 + HD2 LYS 26 OK 51 99 - 52 - 6245/5.7=16, 6234/2.9=11...(12) H THR 25 - HD3 LYS 26 OK 45 87 - 52 - 6245/5.7=16, 6234/2.9=11...(12) H THR 25 - HD2 LYS 31 OK 32 100 - 32 - 6235/2.9=6, 511/3.5=4...(12) H THR 25 - HD3 LYS 31 OK 32 99 - 32 - 6235/2.9=6, 511/3.5=4...(12) Peak 545 from cnoeabs.peaks (8.37, 1.66, 28.90 ppm; 4.80 A): 12 out of 24 assignments used, quality = 1.00: H LYS 26 + HD2 LYS 26 OK 95 100 - 95 - 5.7=59, 6252/2.9=27...(30) * H LYS 24 + HD3 LYS 24 OK 94 100 - 94 - 5.9=53, 6219/5.4=27...(18) H LYS 24 + HD2 LYS 24 OK 93 99 - 94 - 5.9=53, 6219/5.4=27...(18) H LYS 26 + HD3 LYS 26 OK 90 95 - 94 - 5.7=59, 6252/2.9=27...(27) H LYS 26 + HD3 LYS 24 OK 72 100 - 73 - 6253/3.0=12, 6250/3.5=11...(26) H LYS 26 + HD2 LYS 24 OK 72 99 - 73 - 6253/3.0=12, 6250/3.5=11...(26) H LYS 24 + HD2 LYS 26 OK 69 100 - 70 - 626/2.9=17, 6222/2.9=14...(18) H LYS 26 + HD3 LYS 31 OK 67 100 - 68 - 6252/2.9=8, 6254=6...(37) H LYS 26 + HD2 LYS 31 OK 67 99 - 68 - 6252/2.9=8, 6254=6...(37) H LYS 24 + HD3 LYS 26 OK 67 96 - 70 - 626/2.9=17, 6222/2.9=14...(18) H LYS 24 + HD3 LYS 31 OK 56 100 - 56 - 6223/2.9=10, 3.0/486=6...(20) H LYS 24 + HD2 LYS 31 OK 56 99 - 56 - 6223/2.9=10, 3.0/486=6...(20) H GLY 14 - HD2 LYS 26 lone 6 98 - 6 - 626/2.9=1 H GLY 14 - HD3 LYS 26 lone 5 92 - 5 - 626/2.9=1 H GLY 14 - HD3 LYS 24 lone 5 98 - 5 - 512/3.0=1 H GLY 14 - HD2 LYS 24 lone 5 97 - 5 - 512/3.0=1 H GLY 14 - HD3 LYS 31 lone 2 98 - 2 - H GLY 14 - HD2 LYS 31 lone 2 97 - 2 - H HIS 3 - HD2 LYS 26 lone 1 57 - 1 - H HIS 3 - HD3 LYS 26 lone 1 51 - 1 - H HIS 3 - HD3 LYS 24 lone 1 57 - 1 - H HIS 3 - HD2 LYS 24 lone 1 56 - 1 - H HIS 3 - HD3 LYS 31 lone 1 57 - 1 - H HIS 3 - HD2 LYS 31 lone 1 56 - 1 - Peak 546 from cnoeabs.peaks (4.33, 1.66, 28.90 ppm; 3.10 A): 6 out of 30 assignments used, quality = 1.00: * HA LYS 24 + HD3 LYS 24 OK 79 100 - 79 - 5.4=19, 513/3.0=14...(25) HA LYS 24 + HD2 LYS 24 OK 78 99 - 79 - 5.4=19, 513/3.0=14...(26) HA LYS 24 + HD2 LYS 26 OK 57 100 - 57 - 483/2.9=8, 486=6...(21) HA LYS 24 + HD3 LYS 26 OK 53 96 - 56 - 483/2.9=8, 486=6...(21) HA LYS 24 + HD3 LYS 31 OK 53 100 - 53 - 486=6, 484/2.9=6...(15) HA LYS 24 + HD2 LYS 31 OK 53 99 - 53 - 486=6, 484/2.9=6...(15) HA LEU 69 - HD3 LYS 24 lone 9 96 - 9 - 3.9/10739=2, 513/3.0=1 HA LEU 69 - HD2 LYS 24 lone 9 94 - 9 - 3.9/10739=2, 513/3.0=1 HA LEU 69 - HD3 LYS 31 lone 5 96 - 5 - 3.9/10739=2 HA LEU 69 - HD2 LYS 31 lone 5 94 - 5 - 3.9/10739=2 HA ASN 59 - HD3 LYS 24 lone 4 100 - 4 - HA ASN 59 - HD2 LYS 24 lone 4 99 - 4 - HA ASN 59 - HD3 LYS 31 lone 3 100 - 3 - 9359/2.9=2 HA ASN 59 - HD2 LYS 31 lone 3 99 - 3 - 9359/2.9=2 HA PRO 81 - HD3 LYS 24 lone 2 99 - 1 - HA PRO 81 - HD2 LYS 24 lone 2 98 - 1 - HA LEU 69 - HD2 LYS 26 lone 2 96 - 2 - HA LEU 69 - HD3 LYS 26 lone 1 89 - 2 - HA ASN 59 - HD2 LYS 26 lone 1 100 - 1 - HA ASN 59 - HD3 LYS 26 lone 1 95 - 1 - HA PRO 81 - HD2 LYS 26 lone 1 99 - 1 - HA PRO 81 - HD3 LYS 26 lone 1 94 - 1 - HA PRO 81 - HD3 LYS 31 lone 0 99 - 0 - HA PRO 81 - HD2 LYS 31 lone 0 98 - 0 - HA ASP 47 - HD3 LYS 24 lone 1 73 - 1 - HA ASP 47 - HD2 LYS 24 lone 0 71 - 1 - HA ASP 47 - HD2 LYS 26 lone 0 73 - 0 - HA ASP 47 - HD3 LYS 31 lone 0 73 - 0 - HA ASP 47 - HD2 LYS 31 lone 0 71 - 0 - HA ASP 47 - HD3 LYS 26 lone 0 66 - 0 - Peak 547 from cnoeabs.peaks (1.75, 1.66, 28.90 ppm; 3.09 A): 23 out of 36 assignments used, quality = 1.00: * HB2 LYS 24 + HD3 LYS 24 OK 91 100 - 91 - 3.5=67, 494/3.0=5...(51) HB2 LYS 24 + HD2 LYS 24 OK 91 99 - 91 - 3.5=67, 494/3.0=5...(52) HB2 LYS 26 + HD2 LYS 26 OK 90 98 - 92 - 3.5=69, 628/2.9=9...(48) HB2 LYS 31 + HD3 LYS 31 OK 89 96 - 93 - 3.5=70, 804/2.9=10...(51) HB2 LYS 31 + HD2 LYS 31 OK 87 94 - 93 - 3.5=70, 804/2.9=10...(49) HB2 LYS 26 + HD3 LYS 26 OK 84 92 - 92 - 3.5=69, 628/2.9=9...(49) HB2 LYS 24 + HD3 LYS 31 OK 63 100 - 63 - 823/2.9=5, 834/2.9=5...(31) HB2 LYS 26 + HD3 LYS 31 OK 63 98 - 64 - 834/2.9=4, 823/2.9=4...(30) HB2 LYS 24 + HD2 LYS 31 OK 63 99 - 63 - 823/2.9=5, 834/2.9=5...(31) HB2 LYS 26 + HD2 LYS 31 OK 62 97 - 64 - 834/2.9=4, 823/2.9=4...(31) HB2 LYS 31 + HD2 LYS 26 OK 60 96 - 62 - 628/2.9=4, 806=4...(29) HB2 LYS 24 + HD2 LYS 26 OK 59 100 - 60 - 628/2.9=5, 639/2.9=3...(31) HB2 LYS 31 + HD3 LYS 24 OK 57 96 - 60 - 806=4, 803/3.0=3...(26) HB2 LYS 31 + HD2 LYS 24 OK 56 94 - 60 - 806=4, 803/3.0=3...(26) HB2 LYS 24 + HD3 LYS 26 OK 56 96 - 59 - 628/2.9=5, 639/2.9=3...(29) HB2 LYS 26 + HD3 LYS 24 OK 55 98 - 56 - 514/3.0=3, 1.8/621=3...(27) HB2 LYS 31 + HD3 LYS 26 OK 55 89 - 62 - 628/2.9=4, 806=4...(27) HB2 LYS 26 + HD2 LYS 24 OK 54 97 - 56 - 514/3.0=3, 1.8/621=3...(27) HB2 LYS 19 + HD3 LYS 31 OK 50 98 - 51 - 823/2.9=3, 834/2.9=3...(16) HB2 LYS 19 + HD2 LYS 31 OK 49 97 - 51 - 823/2.9=3, 834/2.9=3...(16) HB2 LYS 19 + HD3 LYS 24 OK 49 98 - 50 - 514/3.0=3, 253/3.0=3...(22) HB2 LYS 19 + HD2 LYS 24 OK 48 97 - 50 - 514/3.0=3, 253/3.0=3...(22) HB2 LYS 19 + HD2 LYS 26 OK 45 98 - 46 - 628/2.9=4, 639/2.9=3...(18) HB2 LYS 19 - HD3 LYS 26 OK 39 92 - 43 - 628/2.9=4, 639/2.9=3...(14) HG13 ILE 129 - HD2 LYS 26 lone 8 98 - 9 - ~10483=2, ~10491=2...(4) HB2 ARG 23 - HD2 LYS 26 poor 8 73 - 12 - 428/3.5=2, 628/2.9=2...(4) HG13 ILE 129 - HD3 LYS 26 lone 8 92 - 9 - ~10483=2, ~10491=2...(4) HB2 ARG 23 - HD3 LYS 26 poor 8 66 - 12 - 428/3.5=2, 628/2.9=2...(4) HB2 ARG 23 - HD3 LYS 24 lone 6 73 - 8 - 6213/5.9=2 HB2 ARG 23 - HD2 LYS 24 lone 6 71 - 8 - 6213/5.9=2 HG13 ILE 129 - HD3 LYS 31 lone 3 98 - 3 - HG13 ILE 129 - HD2 LYS 31 lone 3 97 - 3 - HB2 ARG 23 - HD3 LYS 31 lone 2 73 - 3 - HB2 ARG 23 - HD2 LYS 31 lone 2 71 - 3 - HG13 ILE 129 - HD3 LYS 24 lone 1 98 - 1 - HG13 ILE 129 - HD2 LYS 24 lone 1 97 - 1 - Peak 548 from cnoeabs.peaks (1.81, 1.66, 28.90 ppm; 2.80 A): 16 out of 66 assignments used, quality = 1.00: HB3 LYS 31 + HD3 LYS 31 OK 83 99 - 84 - 3.5=51, 815/2.9=7...(32) HB3 LYS 31 + HD2 LYS 31 OK 82 98 - 84 - 3.5=51, 815/2.9=7...(32) * HB3 LYS 24 + HD3 LYS 24 OK 81 100 - 81 - 3.5=50, 515/3.0=4...(40) HB3 LYS 24 + HD2 LYS 24 OK 81 99 - 81 - 3.5=50, 515/3.0=4...(40) HB3 LYS 26 + HD2 LYS 26 OK 76 92 - 83 - 3.5=51, 619/2.9=9...(34) HB3 LYS 26 + HD3 LYS 26 OK 70 84 - 82 - 3.5=51, 619/2.9=9...(32) HB3 LYS 24 + HD3 LYS 31 OK 55 100 - 55 - 835/2.9=4, 824/2.9=4...(18) HB3 LYS 24 + HD2 LYS 31 OK 55 99 - 55 - 835/2.9=4, 824/2.9=4...(18) HB3 LYS 26 + HD3 LYS 31 OK 52 92 - 56 - 621=4, 3.0/632=3...(16) HB3 LYS 31 + HD2 LYS 26 OK 51 99 - 52 - 3.0/839=3, 1.8/806=3...(21) HB3 LYS 26 + HD2 LYS 31 OK 51 90 - 56 - 621=4, 3.0/632=3...(16) HB3 LYS 24 + HD2 LYS 26 OK 50 100 - 50 - 629/2.9=3, 3.0/486=3...(22) HB3 LYS 31 + HD3 LYS 26 OK 49 94 - 52 - 3.0/839=3, 817=3...(21) HB3 LYS 31 + HD3 LYS 24 OK 48 99 - 49 - 3.0/839=3, 1.8/806=2...(23) HB3 LYS 31 + HD2 LYS 24 OK 48 98 - 49 - 3.0/839=3, 1.8/806=2...(23) HB3 LYS 24 + HD3 LYS 26 OK 47 96 - 49 - 629/2.9=3, 3.0/486=3...(22) HB3 LYS 26 - HD3 LYS 24 OK 45 92 - 49 - 621=3, 620/3.0=3...(17) HB3 LYS 26 - HD2 LYS 24 OK 44 90 - 49 - 621=3, 620/3.0=3...(17) HB3 LYS 19 - HD3 LYS 31 OK 43 99 - 43 - 835/2.9=3, 824/2.9=3...(12) HB3 LYS 19 - HD2 LYS 31 OK 42 98 - 43 - 835/2.9=3, 824/2.9=3...(12) HB3 LYS 19 - HD3 LYS 24 OK 40 99 - 41 - 515/3.0=2, 817=2...(15) HB3 LYS 19 - HD2 LYS 24 OK 40 98 - 41 - 515/3.0=2, 817=2...(15) HB3 LYS 19 - HD2 LYS 26 OK 38 99 - 38 - 629/2.9=2, 817=2, ~628=2...(12) HB3 LYS 19 - HD3 LYS 26 OK 32 94 - 34 - 629/2.9=2, ~628=2, 817=2...(11) HB ILE 32 - HD3 LYS 31 OK 31 96 - 33 - 900/2.9=3, 2.1/10755=2...(14) HB ILE 32 - HD2 LYS 31 OK 31 94 - 33 - 900/2.9=3, 835/2.9=2...(14) HB2 LYS 36 - HD3 LYS 24 OK 28 98 - 29 - 988/3.0=2, 991/1.8=2...(8) HB2 LYS 36 - HD3 LYS 31 OK 23 98 - 24 - 990/1.8=2, 835/2.9=1...(5) HB2 LYS 36 - HD2 LYS 24 OK 23 97 - 24 - 988/3.0=2, ~999=2...(5) HB2 LYS 36 - HD2 LYS 31 OK 19 97 - 20 - 835/2.9=1, 824/2.9=1 HB ILE 32 - HD2 LYS 26 OK 17 96 - 18 - 900/2.9=2, ~10840=1...(6) HB ILE 32 - HD3 LYS 26 OK 16 89 - 18 - 900/2.9=2, 2.1/10755=2...(6) HB ILE 32 - HD3 LYS 24 OK 12 96 - 12 - 900/3.0=2 HB ILE 32 - HD2 LYS 24 OK 12 94 - 12 - 900/3.0=2 HB2 LYS 36 - HD2 LYS 26 OK 11 98 - 12 - 988/2.9=2, ~999=1, 629/2.9=1 HB2 LYS 36 - HD3 LYS 26 OK 11 92 - 12 - 988/2.9=2, ~999=1, 629/2.9=1 HB2 LEU 100 - HD2 LYS 26 lone 6 73 - 8 - 3.2/11389=2 HB3 LEU 123 - HD2 LYS 26 lone 5 64 - 8 - ~10756=3, ~11421=1 HB3 ARG 23 - HD2 LYS 26 lone 5 65 - 8 - 436/3.5=1, 629/2.9=1 HB2 LEU 100 - HD3 LYS 26 lone 5 66 - 8 - 3.2/11389=2 HB3 ARG 23 - HD3 LYS 26 lone 5 58 - 8 - 436/3.5=1, 629/2.9=1 HB3 LEU 123 - HD3 LYS 26 lone 5 58 - 8 - ~10756=3, ~11421=1 HB2 LEU 100 - HD3 LYS 24 lone 4 73 - 6 - 3.2/11389=1 HB2 LEU 100 - HD2 LYS 24 lone 4 71 - 6 - 3.2/11389=1 HB3 ARG 23 - HD3 LYS 24 lone 4 65 - 6 - 6214/5.9=1 HB3 ARG 23 - HD2 LYS 24 lone 4 64 - 6 - 6214/5.9=1 HB3 ARG 23 - HD3 LYS 31 lone 1 65 - 2 - HB3 LEU 123 - HD3 LYS 24 lone 1 64 - 2 - HB3 ARG 23 - HD2 LYS 31 lone 1 64 - 2 - HB3 LEU 123 - HD2 LYS 24 lone 1 63 - 2 - HB3 ARG 135 - HD3 LYS 31 lone 1 96 - 1 - HB3 ARG 135 - HD2 LYS 31 lone 1 94 - 1 - HB2 ARG 84 - HD3 LYS 31 lone 1 92 - 1 - HB2 ARG 84 - HD2 LYS 31 lone 1 90 - 1 - HB2 LEU 100 - HD3 LYS 31 lone 1 73 - 1 - HB2 LEU 100 - HD2 LYS 31 lone 1 71 - 1 - HB3 ARG 135 - HD2 LYS 26 lone 1 96 - 1 - HB3 LEU 123 - HD2 LYS 31 lone 1 63 - 1 - HB3 ARG 135 - HD2 LYS 24 lone 1 94 - 1 - HB3 ARG 135 - HD3 LYS 24 lone 1 96 - 1 - HB3 ARG 135 - HD3 LYS 26 lone 1 89 - 1 - HB3 LEU 123 - HD3 LYS 31 lone 1 64 - 1 - HB2 ARG 84 - HD3 LYS 24 lone 0 92 - 0 - HB2 ARG 84 - HD2 LYS 24 lone 0 90 - 0 - HB2 ARG 84 - HD2 LYS 26 lone 0 92 - 0 - HB2 ARG 84 - HD3 LYS 26 lone 0 84 - 0 - Peak 549 from cnoeabs.peaks (1.38, 1.66, 28.90 ppm; 2.57 A): 6 out of 84 assignments used, quality = 1.00: HG3 LYS 26 + HD2 LYS 26 OK 86 99 - 87 - 2.9=71, 1.8/632=6...(24) * HG2 LYS 24 + HD3 LYS 24 OK 84 100 - 84 - 3.0=65, 519/1.8=4...(17) HG2 LYS 24 + HD2 LYS 24 OK 84 99 - 84 - 3.0=65, 519/1.8=4...(17) HG3 LYS 26 + HD3 LYS 26 OK 82 94 - 87 - 2.9=71, 1.8/632=6...(24) HG3 LYS 26 + HD3 LYS 31 OK 46 99 - 47 - 1.8/632=4, 643=4...(18) HG3 LYS 26 + HD2 LYS 31 OK 46 98 - 47 - 1.8/632=4, 643=4...(18) HG2 LYS 24 - HD3 LYS 31 OK 44 100 - 44 - 519=4, 517/2.9=3...(11) HG2 LYS 24 - HD2 LYS 31 OK 43 99 - 44 - 519=4, 517/2.9=3...(11) HG2 LYS 24 - HD2 LYS 26 OK 43 100 - 43 - 631/2.9=4, 519=3...(11) HG3 LYS 26 - HD3 LYS 24 OK 41 99 - 42 - 527/3.0=3, 643=3...(14) HG3 LYS 26 - HD2 LYS 24 OK 41 98 - 42 - 527/3.0=3, 643=3...(15) HG2 LYS 24 - HD3 LYS 26 OK 39 96 - 41 - 631/2.9=4, 519=3...(12) HG2 LYS 36 - HD3 LYS 24 OK 25 100 - 25 - 1013/1.8=2, 1014/3.0=2...(7) HG2 LYS 36 - HD2 LYS 24 OK 21 99 - 21 - 1014/3.0=2, 1015/3.0=2...(5) HG2 LYS 36 - HD3 LYS 31 OK 17 100 - 17 - 1012/1.8=2, 1008/3.5=1 HG2 LYS 36 - HD2 LYS 31 OK 13 99 - 14 - 1008/3.5=1 HG2 LYS 36 - HD2 LYS 26 lone 10 100 - 10 - 1008/3.5=1, 631/2.9=1 HG3 LYS 95 - HD3 LYS 31 poor 10 87 - 11 - HG3 LYS 95 - HD2 LYS 31 poor 10 85 - 11 - QB ALA 15 - HD3 LYS 31 lone 9 98 - 10 - 10790/3.5=4 QB ALA 15 - HD2 LYS 31 lone 9 97 - 10 - 10790/3.5=4 HG2 LYS 36 - HD3 LYS 26 lone 9 95 - 10 - 1008/3.5=1, 631/2.9=1 HB2 LEU 96 - HD3 LYS 31 lone 9 100 - 9 - 3070/2.9=2, 3.2/11694=2 HB2 LEU 96 - HD2 LYS 31 lone 9 99 - 9 - 3070/2.9=2, 3.2/11694=2 HB3 LEU 100 - HD2 LYS 26 lone 8 100 - 9 - 3.2/11389=1, 3243/3.5=1 HB3 LEU 100 - HD3 LYS 26 lone 8 96 - 9 - 3.2/11389=1, 3243/3.5=1 HG2 LYS 95 - HD3 LYS 31 poor 8 73 - 11 - HG2 LYS 95 - HD2 LYS 31 poor 8 71 - 11 - HB3 LEU 100 - HD3 LYS 24 lone 6 100 - 6 - HB3 LEU 100 - HD2 LYS 24 lone 6 99 - 6 - HG3 LYS 95 - HD2 LYS 26 lone 5 87 - 6 - HG3 LYS 95 - HD3 LYS 26 lone 5 79 - 6 - HG2 LYS 95 - HD2 LYS 26 lone 4 73 - 6 - HG3 LYS 95 - HD3 LYS 24 lone 4 87 - 5 - HG3 LYS 95 - HD2 LYS 24 lone 4 85 - 5 - HG2 LYS 95 - HD3 LYS 26 lone 4 66 - 6 - HG2 LYS 95 - HD3 LYS 24 lone 4 73 - 5 - HG2 LYS 95 - HD2 LYS 24 lone 3 71 - 5 - HB2 LEU 96 - HD2 LYS 26 lone 3 100 - 3 - HB2 LEU 96 - HD3 LYS 24 lone 3 100 - 3 - HB2 LEU 96 - HD2 LYS 24 lone 3 99 - 3 - HB2 LEU 96 - HD3 LYS 26 lone 3 95 - 3 - QB ALA 28 - HD3 LYS 26 lone 2 89 - 3 - QB ALA 108 - HD3 LYS 31 lone 2 92 - 2 - QB ALA 108 - HD2 LYS 31 lone 2 90 - 2 - QB ALA 29 - HD3 LYS 31 lone 2 100 - 2 - QB ALA 29 - HD2 LYS 31 lone 2 99 - 2 - QB ALA 28 - HD2 LYS 26 lone 2 96 - 2 - QB ALA 28 - HD3 LYS 31 lone 2 96 - 2 - HB2 LEU 42 - HD3 LYS 24 lone 1 100 - 1 - HB2 LEU 42 - HD2 LYS 24 lone 1 99 - 1 - QB ALA 28 - HD2 LYS 31 lone 1 94 - 2 - QB ALA 15 - HD3 LYS 24 lone 1 98 - 1 - QB ALA 15 - HD2 LYS 24 lone 1 97 - 1 - QB ALA 29 - HD2 LYS 26 lone 1 100 - 1 - QB ALA 29 - HD3 LYS 24 lone 1 100 - 1 - QB ALA 29 - HD2 LYS 24 lone 1 99 - 1 - QB ALA 28 - HD3 LYS 24 lone 1 96 - 1 - QB ALA 29 - HD3 LYS 26 lone 1 95 - 1 - QB ALA 28 - HD2 LYS 24 lone 1 94 - 1 - QB ALA 109 - HD3 LYS 31 lone 1 65 - 2 - QB ALA 110 - HD3 LYS 31 lone 1 98 - 1 - QB ALA 110 - HD2 LYS 31 lone 1 97 - 1 - QB ALA 109 - HD2 LYS 31 lone 1 64 - 2 - HB3 LEU 100 - HD2 LYS 31 lone 1 99 - 1 - HB3 LEU 100 - HD3 LYS 31 lone 1 100 - 1 - QB ALA 15 - HD2 LYS 26 lone 1 98 - 1 - QB ALA 15 - HD3 LYS 26 lone 1 92 - 1 - HB2 LEU 42 - HD2 LYS 26 lone 1 100 - 1 - HB2 LEU 42 - HD3 LYS 26 lone 1 95 - 1 - QB ALA 108 - HD2 LYS 26 lone 1 92 - 1 - QB ALA 108 - HD3 LYS 26 lone 1 84 - 1 - QB ALA 108 - HD3 LYS 24 lone 1 92 - 1 - QB ALA 108 - HD2 LYS 24 lone 1 90 - 1 - QB ALA 110 - HD2 LYS 26 lone 1 98 - 1 - QB ALA 110 - HD3 LYS 24 lone 1 98 - 1 - QB ALA 110 - HD2 LYS 24 lone 1 97 - 1 - QB ALA 110 - HD3 LYS 26 lone 1 92 - 1 - QB ALA 109 - HD2 LYS 26 lone 0 65 - 1 - QB ALA 109 - HD3 LYS 26 lone 0 58 - 1 - HB2 LEU 42 - HD2 LYS 31 lone 0 99 - 0 - HB2 LEU 42 - HD3 LYS 31 lone 0 100 - 0 - QB ALA 109 - HD3 LYS 24 lone 0 65 - 0 - QB ALA 109 - HD2 LYS 24 lone 0 64 - 0 - Peak 550 from cnoeabs.peaks (1.45, 1.66, 28.90 ppm; 2.50 A): 4 out of 24 assignments used, quality = 1.00: * HG3 LYS 24 + HD3 LYS 24 OK 80 100 - 80 - 3.0=60, 1.8/519=4...(17) HG3 LYS 24 + HD2 LYS 24 OK 80 99 - 80 - 3.0=60, 1.8/519=4...(17) HG2 LYS 31 + HD3 LYS 31 OK 76 96 - 80 - 2.9=61, 1.8/839=7...(18) HG2 LYS 31 + HD2 LYS 31 OK 75 94 - 80 - 2.9=61, 1.8/839=7...(18) HG3 LYS 24 - HD3 LYS 31 OK 42 100 - 42 - 530=3, 836/2.9=3...(9) HG3 LYS 24 - HD2 LYS 31 OK 42 99 - 42 - 530=3, 836/2.9=3...(9) HG2 LYS 31 - HD2 LYS 26 OK 39 96 - 41 - 1.8/839=3, 828=3...(12) HG2 LYS 31 - HD3 LYS 24 OK 38 96 - 39 - 1.8/839=3, 828=3...(14) HG3 LYS 24 - HD2 LYS 26 OK 38 100 - 38 - 527/2.9=3, 530=3...(10) HG2 LYS 31 - HD2 LYS 24 OK 37 94 - 39 - 1.8/839=3, 828=3...(14) HG2 LYS 31 - HD3 LYS 26 OK 36 89 - 40 - 1.8/839=3, 828=3...(12) HG3 LYS 24 - HD3 LYS 26 OK 35 96 - 37 - 527/2.9=3, 530=3...(11) HG3 LYS 19 - HD3 LYS 24 OK 34 99 - 34 - 517/3.0=3, 530=2, ~285=2...(10) HG3 LYS 19 - HD2 LYS 24 OK 34 98 - 34 - 517/3.0=3, 530=2, ~285=2...(10) HG3 LYS 19 - HD3 LYS 31 OK 31 99 - 31 - 836/2.9=2, 530=2...(7) HG3 LYS 19 - HD2 LYS 31 OK 31 98 - 31 - 836/2.9=2, 530=2...(7) HG3 LYS 19 - HD2 LYS 26 OK 25 99 - 26 - 527/2.9=2, 530=2...(6) HG3 LYS 19 - HD3 LYS 26 OK 22 94 - 23 - 527/2.9=2, 530=2...(4) HG13 ILE 32 - HD2 LYS 31 OK 17 79 - 22 - 836/2.9=2, 921/3.5=1...(7) HG13 ILE 32 - HD3 LYS 31 OK 17 81 - 22 - 836/2.9=2, 3.2/10755=1...(7) HG13 ILE 32 - HD2 LYS 26 poor 10 81 - 12 - 921/3.5=1 HG13 ILE 32 - HD3 LYS 26 poor 9 73 - 12 - 921/3.5=1 HG13 ILE 32 - HD2 LYS 24 lone 7 79 - 8 - HG13 ILE 32 - HD3 LYS 24 lone 7 81 - 8 - Peak 551 from cnoeabs.peaks (1.66, 1.66, 28.90 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: HD2 LYS 26 + HD2 LYS 26 OK 100 100 - 100 HD3 LYS 31 + HD3 LYS 31 OK 100 100 - 100 HD3 LYS 24 + HD3 LYS 24 OK 100 100 - 100 HD2 LYS 31 + HD2 LYS 31 OK 99 99 - 100 HD2 LYS 24 + HD2 LYS 24 OK 99 99 - 100 HD3 LYS 26 + HD3 LYS 26 OK 92 92 - 100 Reference assignment not found: HD2 LYS 24 - HD3 LYS 24 Peak 552 from cnoeabs.peaks (1.66, 1.66, 28.90 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: HD2 LYS 26 + HD2 LYS 26 OK 100 100 - 100 HD3 LYS 31 + HD3 LYS 31 OK 100 100 - 100 * HD3 LYS 24 + HD3 LYS 24 OK 100 100 - 100 HD2 LYS 31 + HD2 LYS 31 OK 99 99 - 100 HD2 LYS 24 + HD2 LYS 24 OK 99 99 - 100 HD3 LYS 26 + HD3 LYS 26 OK 94 94 - 100 Peak 553 from cnoeabs.peaks (2.96, 1.66, 28.90 ppm; 2.50 A): 6 out of 48 assignments used, quality = 1.00: * HE2 LYS 24 + HD3 LYS 24 OK 73 100 - 73 - 3.0=59, 563/1.8=4...(11) HE2 LYS 24 + HD2 LYS 24 OK 72 99 - 72 - 3.0=59, 563/1.8=4...(9) HE3 LYS 24 + HD3 LYS 24 OK 62 87 - 72 - 3.0=59, 1.8/563=4...(12) HE3 LYS 24 + HD2 LYS 24 OK 60 85 - 71 - 3.0=59, 1.8/563=4...(10) HE2 LYS 31 + HD3 LYS 31 OK 48 65 - 73 - 3.0=58, 3.7/839=3...(14) HE2 LYS 31 + HD2 LYS 31 OK 47 64 - 73 - 3.0=58, 3.7/839=3...(14) HE2 LYS 24 - HD3 LYS 31 OK 24 100 - 24 - 563=2, 561/2.9=2...(4) HE2 LYS 24 - HD2 LYS 31 OK 23 99 - 23 - 563=2, 561/2.9=2...(4) HE2 LYS 19 - HD3 LYS 31 OK 19 98 - 20 - 563=1, 561/2.9=1 HE2 LYS 19 - HD2 LYS 31 OK 19 97 - 19 - 563=1, 561/2.9=1 HE2 LYS 19 - HD3 LYS 24 OK 18 98 - 19 - 520/3.0=2, 561/3.0=2...(4) HE2 LYS 19 - HD2 LYS 24 OK 18 97 - 19 - 520/3.0=2, 561/3.0=2...(4) HE2 LYS 24 - HD2 LYS 26 OK 17 100 - 17 - 560/2.9=1, 563=1, 558/3.5=1 HE3 LYS 24 - HD3 LYS 31 OK 16 87 - 19 - 1.8/563=1 HE3 LYS 24 - HD2 LYS 31 OK 16 85 - 19 - 1.8/563=1 HE2 LYS 24 - HD3 LYS 26 OK 15 96 - 16 - 560/2.9=1, 563=1, 558/3.5=1 HE2 LYS 31 - HD2 LYS 26 OK 13 65 - 20 - 3.7/839=2, 3.7/828=1 HE2 LYS 19 - HD2 LYS 26 OK 12 98 - 12 - HE2 LYS 36 - HD3 LYS 24 OK 12 99 - 12 - 520/3.0=1 HE2 LYS 36 - HD2 LYS 24 OK 11 98 - 12 - 520/3.0=1 HE2 LYS 31 - HD3 LYS 26 OK 11 58 - 19 - 3.7/839=2, 3.7/828=1 HE2 LYS 19 - HD3 LYS 26 OK 11 92 - 12 - HE3 LYS 24 - HD2 LYS 26 OK 11 87 - 13 - HE3 LYS 19 - HD3 LYS 24 OK 11 65 - 17 - 520/3.0=1 HE3 LYS 19 - HD3 LYS 31 OK 11 65 - 16 - HE2 LYS 36 - HD3 LYS 31 OK 10 99 - 10 - HE2 LYS 31 - HD3 LYS 24 OK 10 65 - 16 - 3.7/839=1, 3.7/828=1 HE3 LYS 19 - HD2 LYS 24 OK 10 64 - 16 - 520/3.0=1 HE2 LYS 31 - HD2 LYS 24 poor 10 64 - 16 - 3.7/839=1, 3.7/828=1 HE2 LYS 36 - HD2 LYS 31 lone 10 98 - 10 - HE3 LYS 19 - HD2 LYS 31 poor 10 64 - 15 - HE3 LYS 24 - HD3 LYS 26 poor 10 79 - 12 - HE3 LYS 36 - HD3 LYS 24 poor 9 87 - 11 - HE3 LYS 36 - HD2 LYS 24 poor 9 85 - 11 - HE3 LYS 86 - HD3 LYS 24 lone 9 96 - 9 - 1.8/2699=1 HE3 LYS 86 - HD2 LYS 24 lone 9 94 - 9 - 1.8/2698=1 HE3 LYS 36 - HD3 LYS 31 lone 8 87 - 9 - HE3 LYS 36 - HD2 LYS 31 lone 7 85 - 8 - HE3 LYS 86 - HD3 LYS 31 lone 6 96 - 6 - HE3 LYS 86 - HD2 LYS 31 lone 6 94 - 6 - HE3 LYS 19 - HD2 LYS 26 lone 6 65 - 9 - HE2 LYS 36 - HD2 LYS 26 lone 6 99 - 6 - HE2 LYS 36 - HD3 LYS 26 lone 5 94 - 6 - HE3 LYS 19 - HD3 LYS 26 lone 5 58 - 9 - HE3 LYS 36 - HD2 LYS 26 lone 4 87 - 5 - HE3 LYS 36 - HD3 LYS 26 lone 4 79 - 5 - HE3 LYS 86 - HD2 LYS 26 lone 3 96 - 3 - HE3 LYS 86 - HD3 LYS 26 lone 3 89 - 3 - Peak 554 from cnoeabs.peaks (2.96, 1.66, 28.90 ppm; 2.50 A): 12 out of 66 assignments used, quality = 1.00: HE2 LYS 31 + HD3 LYS 31 OK 73 98 - 74 - 3.0=58, 3.7/839=3...(14) HE2 LYS 31 + HD2 LYS 31 OK 72 97 - 74 - 3.0=58, 3.7/839=3...(14) * HE3 LYS 24 + HD3 LYS 24 OK 72 100 - 72 - 3.0=59, 1.8/563=4...(12) HE3 LYS 24 + HD2 LYS 24 OK 70 99 - 71 - 3.0=59, 1.8/563=4...(10) HE3 LYS 31 + HD3 LYS 31 OK 65 87 - 75 - 3.0=58, 3.7/839=3...(13) HE3 LYS 31 + HD2 LYS 31 OK 63 85 - 75 - 3.0=58, 3.7/839=3...(12) HE3 LYS 26 + HD2 LYS 26 OK 63 87 - 73 - 3.0=58, 3.6/632=3...(16) HE2 LYS 26 + HD2 LYS 26 OK 63 87 - 73 - 3.0=58, 3.6/632=3...(16) HE2 LYS 24 + HD3 LYS 24 OK 63 87 - 72 - 3.0=59, 563/1.8=3...(10) HE2 LYS 24 + HD2 LYS 24 OK 61 85 - 71 - 3.0=59, 563/1.8=3...(8) HE3 LYS 26 + HD3 LYS 26 OK 57 79 - 72 - 3.0=58, 3.6/632=3...(15) HE2 LYS 26 + HD3 LYS 26 OK 57 79 - 72 - 3.0=58, 3.6/632=3...(15) HE3 LYS 26 - HD3 LYS 31 OK 23 87 - 27 - 3.6/632=2, 840/2.9=1...(5) HE2 LYS 26 - HD3 LYS 31 OK 23 87 - 27 - 3.6/632=2, 840/2.9=1...(5) HE2 LYS 26 - HD2 LYS 31 OK 23 85 - 27 - 3.6/632=2, 840/2.9=1...(5) HE3 LYS 26 - HD2 LYS 31 OK 23 85 - 27 - 3.6/632=2, 840/2.9=1...(5) HE2 LYS 31 - HD2 LYS 26 OK 21 98 - 22 - 3.7/839=2, 3.7/828=1, 634/2.9=1 HE3 LYS 24 - HD3 LYS 31 OK 20 100 - 21 - 1.8/563=1, 840/2.9=1...(4) HE3 LYS 24 - HD2 LYS 31 OK 20 99 - 20 - 1.8/563=1, 840/2.9=1...(4) HE2 LYS 24 - HD3 LYS 31 OK 20 87 - 23 - 563=2, 561/2.9=1 HE3 LYS 31 - HD2 LYS 26 OK 19 87 - 22 - 3.7/839=2, 634/2.9=1, 3.7/828=1 HE2 LYS 31 - HD3 LYS 26 OK 19 92 - 21 - 3.7/839=2, 3.7/828=1, 634/2.9=1 HE2 LYS 19 - HD3 LYS 31 OK 19 98 - 19 - 563=1 HE2 LYS 24 - HD2 LYS 31 OK 19 85 - 22 - 563=2, 561/2.9=1 HE2 LYS 19 - HD2 LYS 31 OK 18 97 - 19 - 563=1 HE3 LYS 19 - HD3 LYS 31 OK 17 98 - 18 - 840/2.9=1, 829/2.9=1 HE2 LYS 19 - HD3 LYS 24 OK 17 98 - 18 - 520/3.0=1, 319/3.0=1, 563=1 HE3 LYS 31 - HD3 LYS 26 OK 17 79 - 22 - 3.7/839=2, 635/2.9=1, 3.7/828=1 HE3 LYS 19 - HD3 LYS 24 OK 17 98 - 17 - HE2 LYS 19 - HD2 LYS 24 OK 17 97 - 17 - 520/3.0=1, 319/3.0=1, 563=1 HE3 LYS 19 - HD2 LYS 31 OK 16 97 - 17 - 840/2.9=1, 829/2.9=1 HE3 LYS 19 - HD2 LYS 24 OK 16 97 - 17 - HE2 LYS 31 - HD3 LYS 24 OK 16 98 - 16 - 3.7/839=1, 3.7/828=1 HE2 LYS 31 - HD2 LYS 24 OK 16 97 - 16 - 3.7/839=1, 3.7/828=1 HE3 LYS 31 - HD3 LYS 24 OK 15 87 - 17 - 3.7/839=1, 3.7/828=1 HE3 LYS 31 - HD2 LYS 24 OK 14 85 - 17 - 3.7/839=1, 3.7/828=1 HE3 LYS 24 - HD2 LYS 26 OK 14 100 - 14 - HE2 LYS 24 - HD2 LYS 26 OK 13 87 - 16 - 560/2.9=1, 563=1 HE3 LYS 24 - HD3 LYS 26 OK 13 96 - 13 - HE2 LYS 19 - HD2 LYS 26 OK 12 98 - 12 - HE2 LYS 26 - HD3 LYS 24 OK 12 87 - 14 - 3.6/632=1 HE3 LYS 26 - HD3 LYS 24 OK 12 87 - 14 - 3.6/632=1 HE3 LYS 26 - HD2 LYS 24 OK 12 85 - 14 - 3.6/632=1 HE2 LYS 26 - HD2 LYS 24 OK 12 85 - 14 - 3.6/632=1 HE2 LYS 24 - HD3 LYS 26 OK 12 79 - 15 - 560/2.9=1, 563=1 HE2 LYS 19 - HD3 LYS 26 OK 11 92 - 12 - HE3 LYS 36 - HD3 LYS 24 OK 11 100 - 11 - HE3 LYS 19 - HD2 LYS 26 OK 11 98 - 11 - HE3 LYS 36 - HD2 LYS 24 OK 11 99 - 11 - HE2 LYS 36 - HD3 LYS 24 OK 10 96 - 11 - HE3 LYS 36 - HD3 LYS 31 lone 10 100 - 10 - HE2 LYS 36 - HD2 LYS 24 poor 10 94 - 11 - HE2 LYS 36 - HD3 LYS 31 lone 9 96 - 10 - HE3 LYS 36 - HD2 LYS 31 lone 9 99 - 9 - HE3 LYS 19 - HD3 LYS 26 poor 9 92 - 10 - HE2 LYS 36 - HD2 LYS 31 lone 9 94 - 9 - HE3 LYS 86 - HD3 LYS 24 lone 9 99 - 9 - 1.8/2699=1 HE3 LYS 86 - HD2 LYS 24 lone 9 98 - 9 - 1.8/2698=1 HE3 LYS 86 - HD3 LYS 31 lone 6 99 - 6 - HE3 LYS 86 - HD2 LYS 31 lone 6 98 - 6 - HE3 LYS 36 - HD2 LYS 26 lone 6 100 - 6 - HE2 LYS 36 - HD2 LYS 26 lone 6 96 - 6 - HE3 LYS 36 - HD3 LYS 26 lone 5 96 - 5 - HE2 LYS 36 - HD3 LYS 26 lone 5 89 - 5 - HE3 LYS 86 - HD2 LYS 26 lone 3 99 - 3 - HE3 LYS 86 - HD3 LYS 26 lone 3 94 - 3 - Peak 555 from cnoeabs.peaks (8.10, 1.66, 28.90 ppm; 4.04 A): 4 out of 6 assignments used, quality = 0.98: * H THR 25 + HD3 LYS 24 OK 73 100 - 73 - 6231/5.4=18, 511/3.5=17...(11) H THR 25 + HD2 LYS 24 OK 72 99 - 73 - 6231/5.4=18, 511/3.5=17...(11) H THR 25 + HD2 LYS 26 OK 52 100 - 52 - 6245/5.7=16, 6234/2.9=11...(12) H THR 25 + HD3 LYS 26 OK 49 96 - 52 - 6245/5.7=16, 6234/2.9=11...(12) H THR 25 - HD3 LYS 31 OK 32 100 - 32 - 6235/2.9=6, 511/3.5=4...(12) H THR 25 - HD2 LYS 31 OK 32 99 - 32 - 6235/2.9=6, 511/3.5=4...(12) Peak 558 from cnoeabs.peaks (1.75, 2.96, 41.80 ppm; 3.25 A): 4 out of 24 assignments used, quality = 0.97: * HB2 LYS 24 + HE2 LYS 24 OK 71 100 - 71 - 5.1=26, 2.9/561=5...(36) HB2 LYS 19 + HE2 LYS 19 OK 65 83 - 79 - 5.1=26, 252/3.8=11...(48) HB2 LYS 31 + HE2 LYS 24 OK 45 96 - 47 - 3.0/561=3, 803/4.0=2...(16) HB2 LYS 19 + HE2 LYS 24 OK 41 98 - 42 - 3.0/318=4, 3.0/561=3...(14) HB2 LYS 24 - HE2 LYS 19 OK 39 87 - 45 - 252/3.8=5, 305/2.9=3...(16) HB2 LYS 26 - HE2 LYS 24 OK 39 98 - 40 - 514/4.0=2, 3.0/560=2...(15) HB2 LYS 31 - HE2 LYS 19 OK 33 79 - 42 - 272/3.8=3, 803/3.8=2...(16) HB2 LYS 26 - HE2 LYS 19 OK 32 83 - 39 - 252/3.8=5, 305/2.9=3...(15) HB2 LYS 24 - HE2 LYS 36 OK 22 96 - 23 - 2.9/520=2, 2.9/561=2, 1.8/559=1 HB2 LYS 31 - HE2 LYS 36 OK 21 89 - 24 - 1.8/559=1, 3.0/561=1 HB2 LYS 19 - HE2 LYS 36 OK 20 92 - 21 - 3.0/318=2, 3.0/561=1...(4) HB2 LYS 26 - HE2 LYS 36 OK 15 92 - 16 - 3.0/560=1 HG13 ILE 129 - HE3 LYS 86 lone 4 69 - 5 - ~11777=3, 11778/6.0=1, ~11283=1 HB2 ARG 23 - HE2 LYS 24 lone 4 73 - 5 - 6213/7.4=1 HB2 LYS 31 - HE3 LYS 86 lone 3 66 - 5 - HB2 LYS 24 - HE3 LYS 86 lone 3 73 - 3 - HB2 LYS 19 - HE3 LYS 86 lone 2 69 - 3 - HB2 LYS 26 - HE3 LYS 86 lone 2 69 - 2 - HB2 ARG 23 - HE2 LYS 19 lone 1 57 - 2 - HG13 ILE 129 - HE2 LYS 24 lone 1 98 - 1 - HG13 ILE 129 - HE2 LYS 36 lone 1 92 - 1 - HG13 ILE 129 - HE2 LYS 19 lone 1 83 - 1 - HB2 ARG 23 - HE2 LYS 36 lone 1 66 - 1 - HB2 ARG 23 - HE3 LYS 86 lone 0 46 - 0 - Peak 559 from cnoeabs.peaks (1.81, 2.96, 41.80 ppm; 3.38 A): 4 out of 44 assignments used, quality = 0.99: HB2 LYS 36 + HE2 LYS 36 OK 79 92 - 86 - 4.9=32, 989/4.0=17...(36) * HB3 LYS 24 + HE2 LYS 24 OK 75 100 - 75 - 5.1=30, 1.8/558=6...(42) HB3 LYS 19 + HE2 LYS 19 OK 70 85 - 83 - 5.1=30, 263/3.8=12...(50) HB3 LYS 31 + HE2 LYS 24 OK 48 99 - 49 - 1.8/558=4, 3.0/561=3...(27) HB3 LYS 19 - HE2 LYS 24 OK 45 99 - 45 - 3.0/318=4, 1.8/558=3...(17) HB3 LYS 24 - HE2 LYS 19 OK 43 87 - 49 - 263/3.8=6, 306/2.9=3...(19) HB2 LYS 36 - HE2 LYS 24 OK 42 98 - 43 - 1.8/1053=4, 3.0/1014=3...(21) HB3 LYS 26 - HE2 LYS 24 OK 41 92 - 45 - 1.8/558=3, 620/4.0=3...(15) HB3 LYS 31 - HE2 LYS 19 OK 38 85 - 44 - 263/3.8=6, 266/2.9=3...(17) HB3 LYS 26 - HE2 LYS 19 OK 32 75 - 43 - 273/3.8=3, 1.8/558=3...(18) HB3 LYS 24 - HE2 LYS 36 OK 28 96 - 29 - 2.9/520=2, 1008/4.0=2...(9) HB3 LYS 31 - HE2 LYS 36 OK 27 94 - 28 - 1019/4.0=2, 1008/4.0=2...(7) HB3 LYS 19 - HE2 LYS 36 OK 23 94 - 25 - 3.0/318=2, 1.8/558=2...(6) HB ILE 32 - HE2 LYS 36 OK 19 89 - 22 - ~10837=3, 10825=2...(9) HB3 LYS 26 - HE2 LYS 36 OK 19 84 - 22 - 1008/4.0=2, 1019/4.0=2...(7) HB2 LYS 36 - HE2 LYS 19 OK 18 83 - 21 - 1.8/1053=2, 3.0/1025=2...(6) HB ILE 32 - HE2 LYS 19 OK 16 79 - 20 - 900/3.8=3, ~10757=2...(11) HB ILE 32 - HE2 LYS 24 OK 11 96 - 11 - 900/4.0=2, 10825=1 HB2 LYS 36 - HE3 LYS 86 poor 7 69 - 11 - 989/3.7=2, ~2697=2, 1.8/1053=1 HB2 LEU 100 - HE2 LYS 36 lone 6 66 - 9 - 1008/4.0=2, 1019/4.0=1 HB3 LEU 123 - HE2 LYS 36 poor 6 58 - 10 - ~10705=2, 1008/4.0=2, 1019/4.0=2 HB3 LEU 123 - HE2 LYS 19 lone 4 50 - 8 - ~10705=2 HB3 LYS 31 - HE3 LYS 86 lone 4 71 - 5 - HB2 LEU 100 - HE2 LYS 24 lone 3 73 - 5 - HB3 ARG 23 - HE2 LYS 24 lone 3 65 - 5 - 6214/7.4=1 HB3 LYS 24 - HE3 LYS 86 lone 3 73 - 4 - HB3 LYS 19 - HE3 LYS 86 lone 2 71 - 3 - HB3 LYS 26 - HE3 LYS 86 lone 2 62 - 2 - HB3 ARG 135 - HE2 LYS 36 lone 1 89 - 1 - HB3 LEU 123 - HE2 LYS 24 lone 1 64 - 2 - HB3 ARG 23 - HE2 LYS 19 lone 1 50 - 2 - HB3 ARG 23 - HE2 LYS 36 lone 1 58 - 1 - HB3 ARG 135 - HE2 LYS 24 lone 1 96 - 1 - HB2 LEU 100 - HE2 LYS 19 lone 1 57 - 1 - HB3 ARG 135 - HE2 LYS 19 lone 1 79 - 1 - HB2 ARG 84 - HE2 LYS 19 lone 1 75 - 1 - HB2 ARG 84 - HE2 LYS 24 lone 1 92 - 1 - HB ILE 32 - HE3 LYS 86 lone 1 66 - 1 - HB2 ARG 84 - HE2 LYS 36 lone 0 84 - 1 - HB3 LEU 123 - HE3 LYS 86 lone 0 40 - 1 - HB2 LEU 100 - HE3 LYS 86 lone 0 46 - 1 - HB3 ARG 135 - HE3 LYS 86 lone 0 66 - 0 - HB2 ARG 84 - HE3 LYS 86 lone 0 62 - 0 - HB3 ARG 23 - HE3 LYS 86 lone 0 41 - 0 - Peak 560 from cnoeabs.peaks (1.38, 2.96, 41.80 ppm; 3.00 A): 2 out of 56 assignments used, quality = 0.95: HG2 LYS 36 + HE2 LYS 36 OK 80 95 - 84 - 4.0=42, 1013/3.0=10...(36) * HG2 LYS 24 + HE2 LYS 24 OK 78 100 - 78 - 4.0=43, 1.8/561=6...(23) HG2 LYS 24 - HE2 LYS 19 OK 38 87 - 43 - 520=5, 517/3.8=3...(12) HG2 LYS 36 - HE2 LYS 24 OK 37 100 - 37 - 1014=4, 1.8/1025=3...(17) HG3 LYS 26 - HE2 LYS 24 OK 36 99 - 36 - 527/4.0=3, 520=2...(15) HG2 LYS 24 - HE2 LYS 36 OK 28 96 - 29 - 520=3, 1021/4.0=2...(9) HG3 LYS 26 - HE2 LYS 19 OK 25 85 - 30 - 527/3.8=2, 520=2...(9) HG3 LYS 26 - HE2 LYS 36 OK 16 94 - 17 - 1021/4.0=2, 999/4.9=1...(5) HG2 LYS 36 - HE2 LYS 19 OK 16 86 - 18 - 1014=2, 1015/1.8=2...(5) HG2 LYS 36 - HE3 LYS 86 lone 7 73 - 10 - ~2697=2, 1011/3.7=2, 1014=1 HB3 LEU 100 - HE2 LYS 36 lone 7 96 - 7 - 1021/4.0=1, 3243/4.9=1 HB3 LEU 100 - HE2 LYS 24 lone 3 100 - 3 - HG2 LYS 24 - HE3 LYS 86 lone 3 73 - 4 - HG3 LYS 95 - HE2 LYS 24 lone 3 87 - 3 - HB2 LEU 96 - HE2 LYS 36 lone 3 95 - 3 - QB ALA 29 - HE3 LYS 86 lone 3 73 - 3 - 10790/4.9=2, 10791/4.9=1 QB ALA 108 - HE2 LYS 36 lone 2 84 - 3 - HG2 LYS 95 - HE2 LYS 24 lone 2 73 - 3 - HB2 LEU 42 - HE2 LYS 36 lone 2 95 - 2 - HB2 LEU 96 - HE2 LYS 24 lone 2 100 - 2 - HG3 LYS 26 - HE3 LYS 86 lone 2 71 - 2 - QB ALA 28 - HE2 LYS 36 lone 2 89 - 2 - QB ALA 15 - HE2 LYS 36 lone 1 92 - 2 - HB2 LEU 42 - HE2 LYS 24 lone 1 100 - 1 - QB ALA 110 - HE2 LYS 36 lone 1 92 - 1 - QB ALA 29 - HE2 LYS 36 lone 1 95 - 1 - QB ALA 15 - HE2 LYS 24 lone 1 98 - 1 - HG3 LYS 95 - HE2 LYS 36 lone 1 79 - 1 - QB ALA 28 - HE2 LYS 24 lone 1 96 - 1 - QB ALA 29 - HE2 LYS 24 lone 1 100 - 1 - QB ALA 109 - HE2 LYS 36 lone 1 58 - 2 - HB2 LEU 42 - HE2 LYS 19 lone 1 86 - 1 - HG2 LYS 95 - HE2 LYS 36 lone 1 66 - 1 - HB3 LEU 100 - HE2 LYS 19 lone 1 87 - 1 - QB ALA 29 - HE2 LYS 19 lone 1 86 - 1 - QB ALA 108 - HE2 LYS 24 lone 1 92 - 1 - QB ALA 15 - HE2 LYS 19 lone 1 83 - 1 - QB ALA 110 - HE2 LYS 24 lone 1 98 - 1 - HG3 LYS 95 - HE2 LYS 19 lone 1 70 - 1 - HB2 LEU 96 - HE2 LYS 19 lone 1 86 - 1 - QB ALA 28 - HE3 LYS 86 lone 1 66 - 1 - HG3 LYS 95 - HE3 LYS 86 lone 1 57 - 1 - QB ALA 28 - HE2 LYS 19 lone 0 79 - 1 - HG2 LYS 95 - HE2 LYS 19 lone 0 57 - 1 - QB ALA 108 - HE2 LYS 19 lone 0 75 - 1 - QB ALA 110 - HE2 LYS 19 lone 0 83 - 0 - HG2 LYS 95 - HE3 LYS 86 lone 0 46 - 1 - QB ALA 109 - HE2 LYS 24 lone 0 65 - 1 - HB2 LEU 96 - HE3 LYS 86 lone 0 73 - 0 - HB2 LEU 42 - HE3 LYS 86 lone 0 73 - 0 - HB3 LEU 100 - HE3 LYS 86 lone 0 73 - 0 - QB ALA 15 - HE3 LYS 86 lone 0 69 - 0 - QB ALA 110 - HE3 LYS 86 lone 0 69 - 0 - QB ALA 108 - HE3 LYS 86 lone 0 62 - 0 - QB ALA 109 - HE2 LYS 19 lone 0 50 - 0 - QB ALA 109 - HE3 LYS 86 lone 0 41 - 0 - Peak 561 from cnoeabs.peaks (1.45, 2.96, 41.80 ppm; 3.15 A): 3 out of 16 assignments used, quality = 0.98: * HG3 LYS 24 + HE2 LYS 24 OK 82 100 - 82 - 4.0=49, 1.8/560=7...(28) HG3 LYS 19 + HE2 LYS 19 OK 75 85 - 88 - 3.8=57, 1.8/318=11...(30) HG3 LYS 19 + HE2 LYS 24 OK 44 99 - 44 - 1.8/318=5, ~318=4...(17) HG3 LYS 24 - HE2 LYS 19 OK 42 87 - 48 - 285/3.8=6, 297/2.9=4...(15) HG2 LYS 31 - HE2 LYS 24 OK 42 96 - 44 - 517/4.0=3, 828/3.0=3...(16) HG2 LYS 31 - HE2 LYS 19 OK 31 79 - 39 - 275/3.8=4, 308/2.9=3...(14) HG3 LYS 24 - HE2 LYS 36 OK 26 96 - 27 - 1.8/520=3, 531=2...(6) HG3 LYS 19 - HE2 LYS 36 OK 21 94 - 22 - 1.8/318=3, ~318=2, 531=2...(7) HG2 LYS 31 - HE2 LYS 36 OK 18 89 - 20 - 829/1.8=1, 3.0/558=1 HG13 ILE 32 - HE2 LYS 19 OK 11 64 - 17 - 275/3.8=2, ~10903=2...(9) HG13 ILE 32 - HE2 LYS 36 poor 10 73 - 13 - ~10903=2, ~10842=2...(7) HG13 ILE 32 - HE2 LYS 24 lone 7 81 - 9 - ~10903=1 HG3 LYS 24 - HE3 LYS 86 lone 4 73 - 5 - HG2 LYS 31 - HE3 LYS 86 lone 3 66 - 4 - HG3 LYS 19 - HE3 LYS 86 lone 2 71 - 2 - HG13 ILE 32 - HE3 LYS 86 lone 0 52 - 0 - Peak 562 from cnoeabs.peaks (1.66, 2.96, 41.80 ppm; 2.50 A): 4 out of 60 assignments used, quality = 0.98: * HD2 LYS 24 + HE2 LYS 24 OK 73 100 - 73 - 3.0=59, 3.0/561=3...(10) HD3 LYS 24 + HE2 LYS 24 OK 72 100 - 73 - 3.0=59, 3.0/561=3...(10) HD2 LYS 86 + HE3 LYS 86 OK 47 71 - 66 - 3.0=60, 2666/3.7=4...(7) HD3 LYS 86 + HE3 LYS 86 OK 47 71 - 66 - 3.0=60, 2666/3.7=4...(7) HD2 LYS 36 - HE2 LYS 36 OK 44 58 - 76 - 3.0=58, 1.8/1047=5...(25) HD3 LYS 36 - HE2 LYS 36 OK 44 58 - 76 - 3.0=58, 1.8/1047=5...(25) HD2 LYS 31 - HE2 LYS 24 OK 23 100 - 23 - 2.9/561=2, 542=1, 3.5/558=1 HD3 LYS 31 - HE2 LYS 24 OK 23 100 - 23 - 2.9/561=2, 542=1, 3.5/558=1 HD2 LYS 31 - HE2 LYS 19 OK 16 87 - 19 - 542=1, 2.9/561=1 HD3 LYS 31 - HE2 LYS 19 OK 16 86 - 18 - 553=1, 2.9/561=1 HD2 LYS 26 - HE2 LYS 24 OK 15 100 - 16 - 2.9/560=1, 542=1, 3.5/558=1 HD2 LYS 86 - HE2 LYS 24 OK 15 99 - 16 - 3.0/2668=1, 3.0/2657=1...(5) HD3 LYS 86 - HE2 LYS 24 OK 15 99 - 16 - 3.0/2668=1, 3.0/2657=1...(5) HD2 LYS 24 - HE2 LYS 19 OK 15 87 - 18 - 3.0/520=2, 3.0/561=2...(4) HD3 LYS 26 - HE2 LYS 24 OK 15 98 - 16 - 2.9/560=1, 3.5/558=1 HD3 LYS 24 - HE2 LYS 19 OK 15 86 - 18 - 3.0/520=2, 3.0/561=2...(4) HD3 LYS 86 - HE2 LYS 36 OK 14 94 - 15 - 3.0/2668=1, 3.0/2657=1...(5) HD2 LYS 86 - HE2 LYS 36 OK 14 94 - 15 - 3.0/2668=1, 3.0/2657=1...(5) HD2 LYS 24 - HE2 LYS 36 OK 11 96 - 12 - 3.0/520=1 HD3 LYS 24 - HE2 LYS 36 OK 11 95 - 11 - 3.0/520=1 HD3 LYS 36 - HE2 LYS 24 OK 10 65 - 16 - 3.0/1014=2, 3.0/1025=2...(4) HD2 LYS 36 - HE2 LYS 24 OK 10 65 - 16 - 3.0/1014=2, 3.0/1025=2...(4) HD2 LYS 26 - HE2 LYS 19 poor 10 86 - 11 - HD2 LYS 31 - HE2 LYS 36 poor 10 96 - 10 - HD3 LYS 26 - HE2 LYS 19 poor 9 83 - 11 - HD3 LYS 31 - HE2 LYS 36 lone 9 95 - 10 - HD2 LYS 24 - HE3 LYS 86 lone 6 73 - 9 - 2699/1.8=1 HD3 LYS 24 - HE3 LYS 86 lone 6 73 - 9 - 2699/1.8=1 HD2 LYS 26 - HE2 LYS 36 lone 5 95 - 6 - HD2 LYS 86 - HE2 LYS 19 lone 5 85 - 6 - HD3 LYS 86 - HE2 LYS 19 lone 5 85 - 6 - HD3 LYS 26 - HE2 LYS 36 lone 5 92 - 6 - HD2 LYS 31 - HE3 LYS 86 lone 5 73 - 6 - HD3 LYS 31 - HE3 LYS 86 lone 5 73 - 6 - HD3 LYS 36 - HE2 LYS 19 lone 4 50 - 9 - HD2 LYS 36 - HE2 LYS 19 lone 4 50 - 9 - QB ALA 88 - HE3 LYS 86 lone 2 73 - 3 - HD2 LYS 26 - HE3 LYS 86 lone 2 73 - 3 - HD2 LYS 36 - HE3 LYS 86 lone 2 41 - 6 - ~2697=1 HD3 LYS 36 - HE3 LYS 86 lone 2 41 - 6 - ~2697=1 HD3 LYS 26 - HE3 LYS 86 lone 2 69 - 3 - HB2 LEU 69 - HE2 LYS 36 lone 2 66 - 3 - HB2 LEU 69 - HE2 LYS 24 lone 1 73 - 2 - HD3 LYS 95 - HE2 LYS 24 lone 1 99 - 1 - HD2 LYS 95 - HE2 LYS 24 lone 1 81 - 1 - HD3 LYS 95 - HE3 LYS 86 lone 1 71 - 1 - HD2 LYS 95 - HE3 LYS 86 lone 0 52 - 1 - QB ALA 88 - HE2 LYS 24 lone 0 100 - 0 - HD3 LYS 95 - HE2 LYS 36 lone 0 94 - 0 - HB2 LEU 98 - HE2 LYS 24 lone 0 65 - 1 - HB2 LEU 98 - HE2 LYS 19 lone 0 50 - 1 - HD3 LYS 95 - HE2 LYS 19 lone 0 85 - 0 - QB ALA 88 - HE2 LYS 36 lone 0 96 - 0 - HD2 LYS 95 - HE2 LYS 36 lone 0 73 - 0 - QB ALA 88 - HE2 LYS 19 lone 0 87 - 0 - HD2 LYS 95 - HE2 LYS 19 lone 0 64 - 0 - HB2 LEU 98 - HE3 LYS 86 lone 0 41 - 1 - HB2 LEU 69 - HE2 LYS 19 lone 0 57 - 0 - HB2 LEU 98 - HE2 LYS 36 lone 0 58 - 0 - HB2 LEU 69 - HE3 LYS 86 lone 0 46 - 0 - Peak 563 from cnoeabs.peaks (1.66, 2.96, 41.80 ppm; 2.50 A): 4 out of 52 assignments used, quality = 0.98: HD2 LYS 24 + HE2 LYS 24 OK 73 100 - 73 - 3.0=59, 3.0/561=3...(10) * HD3 LYS 24 + HE2 LYS 24 OK 73 100 - 73 - 3.0=59, 3.0/561=3...(10) HD3 LYS 86 + HE3 LYS 86 OK 48 73 - 66 - 3.0=60, 2666/3.7=4...(7) HD2 LYS 86 + HE3 LYS 86 OK 48 73 - 66 - 3.0=60, 2666/3.7=4...(7) HD2 LYS 31 - HE2 LYS 24 OK 23 100 - 23 - 2.9/561=2, 542=1, 3.5/558=1 HD3 LYS 31 - HE2 LYS 24 OK 23 100 - 23 - 2.9/561=2, 542=1, 3.5/558=1 HD2 LYS 31 - HE2 LYS 19 OK 16 86 - 19 - 542=1, 2.9/561=1 HD3 LYS 31 - HE2 LYS 19 OK 16 87 - 18 - 553=1, 2.9/561=1 HD2 LYS 26 - HE2 LYS 24 OK 15 100 - 16 - 2.9/560=1, 3.5/558=1, 542=1 HD2 LYS 86 - HE2 LYS 24 OK 15 100 - 16 - 3.0/2668=1, 3.0/2657=1...(5) HD3 LYS 86 - HE2 LYS 24 OK 15 100 - 16 - 3.0/2668=1, 3.0/2657=1...(5) HD3 LYS 26 - HE2 LYS 24 OK 15 99 - 16 - 2.9/560=1, 3.5/558=1 HD2 LYS 24 - HE2 LYS 19 OK 15 86 - 18 - 3.0/520=2, 3.0/561=2...(4) HD3 LYS 24 - HE2 LYS 19 OK 15 87 - 18 - 3.0/520=2, 3.0/561=2...(4) HD2 LYS 86 - HE2 LYS 36 OK 14 95 - 15 - 3.0/2668=1, 3.0/2657=1...(5) HD3 LYS 86 - HE2 LYS 36 OK 14 95 - 15 - 3.0/2668=1, 3.0/2657=1...(5) HD3 LYS 24 - HE2 LYS 36 OK 11 96 - 11 - 3.0/520=1 HD2 LYS 24 - HE2 LYS 36 OK 11 95 - 11 - 3.0/520=1 HD2 LYS 26 - HE2 LYS 19 poor 10 87 - 11 - HD3 LYS 26 - HE2 LYS 19 poor 10 85 - 11 - HD2 LYS 31 - HE2 LYS 36 lone 9 95 - 10 - HD3 LYS 31 - HE2 LYS 36 lone 9 96 - 10 - HD3 LYS 24 - HE3 LYS 86 lone 6 73 - 9 - 2699/1.8=1 HD2 LYS 24 - HE3 LYS 86 lone 6 73 - 9 - 2699/1.8=1 HD2 LYS 26 - HE2 LYS 36 lone 5 96 - 6 - HD2 LYS 86 - HE2 LYS 19 lone 5 86 - 6 - HD3 LYS 86 - HE2 LYS 19 lone 5 86 - 6 - HD3 LYS 26 - HE2 LYS 36 lone 5 94 - 6 - HD3 LYS 31 - HE3 LYS 86 lone 5 73 - 6 - HD2 LYS 31 - HE3 LYS 86 lone 5 73 - 6 - QB ALA 88 - HE3 LYS 86 lone 2 73 - 3 - HD2 LYS 26 - HE3 LYS 86 lone 2 73 - 3 - HD3 LYS 26 - HE3 LYS 86 lone 2 71 - 3 - HB2 LEU 69 - HE2 LYS 36 lone 2 58 - 3 - HD3 LYS 95 - HE2 LYS 24 lone 1 100 - 1 - HB2 LEU 69 - HE2 LYS 24 lone 1 65 - 2 - HD2 LYS 95 - HE2 LYS 24 lone 1 87 - 1 - HD3 LYS 95 - HE3 LYS 86 lone 1 73 - 1 - HD2 LYS 95 - HE3 LYS 86 lone 1 57 - 1 - HB2 LEU 98 - HE2 LYS 24 lone 0 73 - 1 - QB ALA 88 - HE2 LYS 24 lone 0 100 - 0 - HB2 LEU 98 - HE2 LYS 19 lone 0 57 - 1 - HD3 LYS 95 - HE2 LYS 36 lone 0 95 - 0 - HD3 LYS 95 - HE2 LYS 19 lone 0 86 - 0 - HD2 LYS 95 - HE2 LYS 36 lone 0 79 - 0 - QB ALA 88 - HE2 LYS 36 lone 0 95 - 0 - HD2 LYS 95 - HE2 LYS 19 lone 0 70 - 0 - HB2 LEU 98 - HE3 LYS 86 lone 0 46 - 1 - QB ALA 88 - HE2 LYS 19 lone 0 86 - 0 - HB2 LEU 98 - HE2 LYS 36 lone 0 66 - 0 - HB2 LEU 69 - HE2 LYS 19 lone 0 50 - 0 - HB2 LEU 69 - HE3 LYS 86 lone 0 41 - 0 - Peak 564 from cnoeabs.peaks (2.96, 2.96, 41.80 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HE2 LYS 24 + HE2 LYS 24 OK 100 100 - 100 HE2 LYS 36 + HE2 LYS 36 OK 94 94 - 100 HE2 LYS 19 + HE2 LYS 19 OK 83 83 - 100 HE3 LYS 86 + HE3 LYS 86 OK 66 66 - 100 Peak 565 from cnoeabs.peaks (2.96, 2.96, 41.80 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HE2 LYS 36 + HE2 LYS 36 OK 89 89 - 100 HE2 LYS 24 + HE2 LYS 24 OK 87 87 - 100 HE2 LYS 19 + HE2 LYS 19 OK 83 83 - 100 HE3 LYS 86 + HE3 LYS 86 OK 71 71 - 100 Reference assignment not found: HE3 LYS 24 - HE2 LYS 24 Peak 569 from cnoeabs.peaks (1.75, 2.96, 41.80 ppm; 3.41 A): 4 out of 42 assignments used, quality = 0.99: * HB2 LYS 24 + HE3 LYS 24 OK 71 100 - 71 - 5.1=30, 494/4.0=4...(36) HB2 LYS 19 + HE2 LYS 19 OK 68 83 - 82 - 5.1=30, 252/3.8=12...(51) HB2 LYS 19 + HE3 LYS 19 OK 68 83 - 82 - 5.1=30, 252/3.8=12...(44) HB2 LYS 31 + HE2 LYS 31 OK 64 79 - 81 - 4.8=35, 804/3.7=9...(40) HB2 LYS 31 - HE3 LYS 24 OK 44 96 - 46 - 803/4.0=3, 514/4.0=3...(20) HB2 LYS 26 - HE2 LYS 31 OK 42 83 - 52 - 834/3.7=4, 823/3.7=4...(24) HB2 LYS 24 - HE3 LYS 19 OK 41 87 - 47 - 252/3.8=5, 305/2.9=3...(27) HB2 LYS 24 - HE2 LYS 19 OK 41 87 - 47 - 252/3.8=5, 305/2.9=3...(19) HB2 LYS 19 - HE3 LYS 24 OK 41 98 - 41 - 3.0/318=4, ~318=3...(16) HB2 LYS 24 - HE2 LYS 31 OK 40 87 - 46 - 823/3.7=5, 834/3.7=5...(16) HB2 LYS 26 - HE3 LYS 24 OK 37 98 - 38 - 514/4.0=3, 525/4.0=2...(15) HB2 LYS 31 - HE2 LYS 19 OK 36 79 - 45 - 272/3.8=3, 803/3.8=3...(18) HB2 LYS 26 - HE2 LYS 19 OK 34 83 - 42 - 252/3.8=5, 305/2.9=3...(21) HB2 LYS 31 - HE3 LYS 19 OK 34 79 - 43 - 272/3.8=3, 803/3.8=3...(17) HB2 LYS 19 - HE2 LYS 31 OK 33 83 - 40 - 823/3.7=3, 834/3.7=3...(10) HB2 LYS 26 - HE3 LYS 19 OK 32 83 - 39 - 252/3.8=5, 305/2.9=3...(16) HB2 LYS 31 - HE3 LYS 36 OK 24 96 - 25 - 3.0/840=1, 3.0/829=1, 807=1 HB2 LYS 24 - HE3 LYS 36 OK 24 100 - 24 - 2.9/520=1, ~520=1...(4) HB2 LYS 19 - HE3 LYS 36 OK 21 98 - 21 - 3.0/318=2, ~318=2 HB2 LYS 24 - HE2 LYS 36 OK 17 73 - 24 - 2.9/520=2, 2.9/531=1 HB2 LYS 31 - HE2 LYS 36 OK 17 66 - 26 - HB2 LYS 26 - HE3 LYS 36 OK 16 98 - 17 - HB2 LYS 19 - HE2 LYS 36 OK 16 69 - 22 - 3.0/318=2, ~318=1 HB2 LYS 26 - HE2 LYS 36 OK 12 69 - 17 - HG13 ILE 129 - HE3 LYS 86 lone 5 92 - 6 - ~11777=3, 11778/6.0=1, ~11283=1 HB2 LYS 31 - HE3 LYS 86 lone 5 89 - 6 - HB2 ARG 23 - HE3 LYS 24 lone 4 73 - 5 - 6213/7.4=1 HB2 LYS 24 - HE3 LYS 86 lone 3 96 - 4 - HB2 LYS 19 - HE3 LYS 86 lone 3 92 - 3 - HB2 LYS 26 - HE3 LYS 86 lone 2 92 - 2 - HB2 ARG 23 - HE3 LYS 19 lone 2 57 - 3 - HB2 ARG 23 - HE2 LYS 19 lone 2 57 - 3 - HG13 ILE 129 - HE2 LYS 31 lone 1 83 - 2 - HG13 ILE 129 - HE3 LYS 24 lone 1 98 - 1 - HG13 ILE 129 - HE3 LYS 36 lone 1 98 - 1 - HG13 ILE 129 - HE2 LYS 19 lone 1 83 - 1 - HG13 ILE 129 - HE3 LYS 19 lone 1 83 - 1 - HG13 ILE 129 - HE2 LYS 36 lone 1 69 - 1 - HB2 ARG 23 - HE2 LYS 31 lone 1 57 - 1 - HB2 ARG 23 - HE3 LYS 36 lone 1 73 - 1 - HB2 ARG 23 - HE2 LYS 36 lone 0 46 - 1 - HB2 ARG 23 - HE3 LYS 86 lone 0 66 - 0 - Peak 570 from cnoeabs.peaks (1.81, 2.96, 41.80 ppm; 3.24 A): 6 out of 77 assignments used, quality = 1.00: HB2 LYS 36 + HE3 LYS 36 OK 82 98 - 84 - 4.9=28, 989/4.0=15...(37) * HB3 LYS 24 + HE3 LYS 24 OK 67 100 - 67 - 5.1=26, 515/4.0=4...(32) HB3 LYS 19 + HE2 LYS 19 OK 67 85 - 78 - 5.1=26, 263/3.8=11...(50) HB3 LYS 19 + HE3 LYS 19 OK 66 85 - 78 - 5.1=26, 263/3.8=11...(42) HB3 LYS 31 + HE2 LYS 31 OK 64 85 - 75 - 4.8=30, 815/3.7=7...(37) HB2 LYS 36 + HE2 LYS 36 OK 57 69 - 83 - 4.9=28, 989/4.0=15...(36) HB3 LYS 31 - HE3 LYS 24 OK 40 99 - 40 - 3.0/840=2, ~558=2...(15) HB3 LYS 24 - HE3 LYS 19 OK 38 87 - 44 - 263/3.8=5, 306/2.9=3...(25) HB3 LYS 24 - HE2 LYS 19 OK 38 87 - 44 - 263/3.8=5, 306/2.9=3...(16) HB3 LYS 24 - HE2 LYS 31 OK 38 87 - 43 - 835/3.7=4, 824/3.7=4...(17) HB3 LYS 19 - HE3 LYS 24 OK 37 99 - 38 - 3.0/318=3, ~318=3...(15) HB2 LYS 36 - HE3 LYS 24 OK 37 98 - 38 - 1.8/1064=4, 3.0/1066=3...(18) HB3 LYS 26 - HE2 LYS 31 OK 37 75 - 49 - 835/3.7=3, 824/3.7=3...(19) HB3 LYS 31 - HE2 LYS 19 OK 35 85 - 41 - 263/3.8=5, 265/2.9=3...(17) HB3 LYS 26 - HE3 LYS 24 OK 33 92 - 36 - 620/4.0=2, 621/3.0=2...(14) HB3 LYS 31 - HE3 LYS 19 OK 32 85 - 38 - 263/3.8=5, 266/2.9=3...(15) HB3 LYS 19 - HE2 LYS 31 OK 32 85 - 37 - 835/3.7=3, 824/3.7=3...(11) HB3 LYS 26 - HE2 LYS 19 OK 29 75 - 39 - 273/3.8=3, 306/2.9=2...(17) HB3 LYS 26 - HE3 LYS 19 OK 27 75 - 36 - 273/3.8=3, 306/2.9=2...(18) HB3 LYS 24 - HE3 LYS 36 OK 26 100 - 26 - 1008/4.0=2, 1019/4.0=2...(8) HB ILE 32 - HE2 LYS 31 OK 25 79 - 32 - ~10757=5, ~10840=5...(11) HB3 LYS 31 - HE3 LYS 36 OK 25 99 - 25 - 1019/4.0=2, 1008/4.0=2...(7) HB2 LYS 36 - HE2 LYS 31 OK 22 83 - 27 - 1.8/1064=2, 835/3.7=2...(10) HB3 LYS 19 - HE3 LYS 36 OK 21 99 - 21 - 3.0/318=2, ~318=1, 1019/4.0=1 HB ILE 32 - HE3 LYS 36 OK 20 96 - 20 - ~10837=3, 3.2/10903=3...(9) HB3 LYS 24 - HE2 LYS 36 OK 18 73 - 25 - 1008/4.0=2, 1019/4.0=2...(6) HB3 LYS 26 - HE3 LYS 36 OK 18 92 - 20 - 1008/4.0=2, 1019/4.0=2...(5) HB3 LYS 31 - HE2 LYS 36 OK 18 71 - 25 - 1019/4.0=2, 1008/4.0=2...(5) HB2 LYS 36 - HE3 LYS 19 OK 18 83 - 21 - 1.8/1064=2, 3.0/1015=1...(7) HB2 LYS 36 - HE2 LYS 19 OK 16 83 - 19 - 1.8/1064=2, 3.0/1025=1...(5) HB ILE 32 - HE2 LYS 19 OK 16 79 - 20 - 900/3.8=3, 3.2/10903=2...(9) HB3 LYS 19 - HE2 LYS 36 OK 16 71 - 22 - 3.0/318=2, ~318=1, 1019/4.0=1 HB ILE 32 - HE2 LYS 36 OK 14 66 - 21 - ~10837=3, 3.2/10903=2...(10) HB ILE 32 - HE3 LYS 19 OK 13 79 - 16 - 900/3.8=3, 3.2/10903=2...(5) HB3 LYS 26 - HE2 LYS 36 OK 12 62 - 20 - 1008/4.0=2, 1019/4.0=2...(5) HB ILE 32 - HE3 LYS 24 lone 10 96 - 10 - 3.2/10903=2, 900/4.0=1 HB2 LYS 36 - HE3 LYS 86 lone 9 92 - 10 - 989/3.7=2, ~2697=2, 1.8/1064=1 HB2 LEU 100 - HE3 LYS 36 lone 6 73 - 8 - 1008/4.0=2, 1019/4.0=1 HB3 LEU 123 - HE3 LYS 36 lone 6 64 - 9 - 3.2/10705=2, 1008/4.0=1 HB3 LYS 31 - HE3 LYS 86 lone 5 94 - 5 - HB3 LEU 123 - HE3 LYS 19 lone 4 50 - 8 - 3.2/10705=2 HB2 LEU 100 - HE2 LYS 36 lone 4 46 - 8 - 1008/4.0=2, 1019/4.0=1 HB3 LEU 123 - HE2 LYS 36 lone 4 40 - 9 - ~10705=2, 1008/4.0=1, 1019/4.0=1 HB3 LEU 123 - HE2 LYS 19 lone 4 50 - 7 - ~10705=2 HB2 LEU 100 - HE3 LYS 24 lone 3 73 - 4 - HB3 LYS 24 - HE3 LYS 86 lone 3 96 - 3 - HB3 ARG 23 - HE3 LYS 24 lone 3 65 - 4 - 6214/7.4=1 HB3 LYS 19 - HE3 LYS 86 lone 2 94 - 3 - HB3 LYS 26 - HE3 LYS 86 lone 2 84 - 2 - HB3 ARG 135 - HE3 LYS 36 lone 1 96 - 1 - HB3 LEU 123 - HE3 LYS 24 lone 1 64 - 2 - HB3 ARG 135 - HE2 LYS 36 lone 1 66 - 1 - HB2 LEU 100 - HE2 LYS 31 lone 1 57 - 1 - HB ILE 32 - HE3 LYS 86 lone 1 89 - 1 - HB3 ARG 23 - HE3 LYS 36 lone 1 65 - 1 - HB3 ARG 23 - HE2 LYS 19 lone 1 50 - 1 - HB3 LEU 123 - HE3 LYS 86 lone 1 58 - 1 - HB3 ARG 23 - HE3 LYS 19 lone 1 50 - 1 - HB3 LEU 123 - HE2 LYS 31 lone 1 50 - 1 - HB3 ARG 135 - HE3 LYS 24 lone 1 96 - 1 - HB3 ARG 135 - HE2 LYS 31 lone 1 79 - 1 - HB2 ARG 84 - HE2 LYS 31 lone 1 75 - 1 - HB2 LEU 100 - HE2 LYS 19 lone 1 57 - 1 - HB2 LEU 100 - HE3 LYS 19 lone 1 57 - 1 - HB3 ARG 135 - HE3 LYS 19 lone 0 79 - 1 - HB3 ARG 135 - HE2 LYS 19 lone 0 79 - 1 - HB2 ARG 84 - HE3 LYS 36 lone 0 92 - 1 - HB2 ARG 84 - HE3 LYS 19 lone 0 75 - 1 - HB2 ARG 84 - HE2 LYS 19 lone 0 75 - 1 - HB2 ARG 84 - HE3 LYS 24 lone 0 92 - 0 - HB3 ARG 23 - HE2 LYS 31 lone 0 50 - 1 - HB3 ARG 23 - HE2 LYS 36 lone 0 41 - 1 - HB2 LEU 100 - HE3 LYS 86 lone 0 66 - 1 - HB2 ARG 84 - HE2 LYS 36 lone 0 62 - 1 - HB3 ARG 135 - HE3 LYS 86 lone 0 89 - 0 - HB2 ARG 84 - HE3 LYS 86 lone 0 84 - 0 - HB3 ARG 23 - HE3 LYS 86 lone 0 58 - 0 - Peak 571 from cnoeabs.peaks (1.38, 2.96, 41.80 ppm; 2.67 A): 3 out of 98 assignments used, quality = 0.95: HG2 LYS 36 + HE3 LYS 36 OK 73 100 - 73 - 4.0=30, 1013/3.0=8...(31) * HG2 LYS 24 + HE3 LYS 24 OK 61 100 - 61 - 4.0=30, 520/1.8=5...(18) HG2 LYS 36 + HE2 LYS 36 OK 53 73 - 72 - 4.0=30, 1013/3.0=8...(31) HG3 LYS 26 - HE2 LYS 31 OK 29 85 - 34 - 1.8/635=2, 645/1.8=2...(12) HG2 LYS 24 - HE2 LYS 19 OK 28 87 - 32 - 517/3.8=3, 520=2...(8) HG2 LYS 24 - HE3 LYS 19 OK 28 87 - 32 - 520/1.8=3, 517/3.8=3...(11) HG2 LYS 36 - HE3 LYS 24 OK 28 100 - 28 - 1.8/1066=3, 1014/1.8=3...(9) HG2 LYS 24 - HE2 LYS 31 OK 26 87 - 30 - 517/3.7=2, 521=2...(6) HG3 LYS 26 - HE3 LYS 24 OK 24 99 - 24 - 527/4.0=2, 1.8/635=1...(7) HG2 LYS 24 - HE3 LYS 36 OK 21 100 - 21 - 520/1.8=2, 1021/4.0=2...(6) HG3 LYS 26 - HE2 LYS 19 OK 19 85 - 23 - 527/3.8=2, 646/1.8=1...(5) HG3 LYS 26 - HE3 LYS 19 OK 17 85 - 20 - 527/3.8=2, 1.8/635=1...(4) HG2 LYS 24 - HE2 LYS 36 OK 15 73 - 21 - 520=2, 1021/4.0=2...(6) HG2 LYS 36 - HE2 LYS 31 OK 14 86 - 16 - 1.8/1066=2, 1015=2...(5) HG2 LYS 36 - HE3 LYS 19 OK 13 86 - 15 - 1015=1, 1.8/1066=1, 1014/1.8=1 HG3 LYS 26 - HE3 LYS 36 OK 12 99 - 12 - 1021/4.0=1 HG2 LYS 36 - HE2 LYS 19 OK 12 86 - 13 - 1014=1, 1015/1.8=1, 1.8/1066=1 HG3 LYS 26 - HE2 LYS 36 poor 9 71 - 13 - 1021/4.0=1 HG2 LYS 36 - HE3 LYS 86 lone 7 95 - 7 - ~2697=2, 1011/3.7=1 HB3 LEU 100 - HE3 LYS 36 lone 6 100 - 6 - 1021/4.0=1 HB3 LEU 100 - HE2 LYS 36 lone 4 73 - 6 - 1021/4.0=1 HB2 LEU 96 - HE2 LYS 31 lone 4 86 - 4 - 3070/3.7=1 HG2 LYS 24 - HE3 LYS 86 lone 3 96 - 3 - QB ALA 15 - HE2 LYS 31 lone 3 83 - 4 - 10790/4.8=2 HG3 LYS 95 - HE2 LYS 31 lone 3 70 - 4 - HB3 LEU 100 - HE3 LYS 24 lone 3 100 - 3 - QB ALA 29 - HE3 LYS 86 lone 2 95 - 3 - 10790/4.9=1 HB2 LEU 96 - HE3 LYS 36 lone 2 100 - 2 - HG2 LYS 95 - HE2 LYS 31 lone 2 57 - 4 - HG3 LYS 95 - HE3 LYS 24 lone 2 87 - 2 - QB ALA 108 - HE3 LYS 36 lone 2 92 - 2 - HG3 LYS 26 - HE3 LYS 86 lone 2 94 - 2 - HB2 LEU 96 - HE2 LYS 36 lone 2 73 - 2 - HB2 LEU 96 - HE3 LYS 24 lone 1 100 - 1 - HG2 LYS 95 - HE3 LYS 24 lone 1 73 - 2 - HB2 LEU 42 - HE3 LYS 36 lone 1 100 - 1 - QB ALA 28 - HE3 LYS 36 lone 1 96 - 1 - QB ALA 108 - HE2 LYS 36 lone 1 62 - 2 - QB ALA 15 - HE3 LYS 36 lone 1 98 - 1 - QB ALA 110 - HE3 LYS 36 lone 1 98 - 1 - HB2 LEU 42 - HE3 LYS 24 lone 1 100 - 1 - QB ALA 29 - HE3 LYS 36 lone 1 100 - 1 - QB ALA 29 - HE3 LYS 24 lone 1 100 - 1 - HG3 LYS 95 - HE3 LYS 36 lone 1 87 - 1 - QB ALA 28 - HE2 LYS 36 lone 1 66 - 1 - QB ALA 15 - HE3 LYS 24 lone 1 98 - 1 - QB ALA 28 - HE3 LYS 24 lone 1 96 - 1 - QB ALA 29 - HE2 LYS 31 lone 1 86 - 1 - QB ALA 109 - HE3 LYS 36 lone 1 65 - 1 - QB ALA 28 - HE2 LYS 31 lone 1 79 - 1 - QB ALA 15 - HE2 LYS 36 lone 1 69 - 1 - QB ALA 110 - HE2 LYS 36 lone 1 69 - 1 - HB3 LEU 100 - HE2 LYS 31 lone 1 87 - 1 - HB2 LEU 42 - HE2 LYS 36 lone 1 73 - 1 - QB ALA 29 - HE2 LYS 36 lone 1 73 - 1 - HB2 LEU 42 - HE3 LYS 19 lone 1 86 - 1 - QB ALA 108 - HE2 LYS 31 lone 1 75 - 1 - HB2 LEU 96 - HE2 LYS 19 lone 1 86 - 1 - HG2 LYS 95 - HE3 LYS 36 lone 1 73 - 1 - HB2 LEU 96 - HE3 LYS 19 lone 1 86 - 1 - QB ALA 110 - HE2 LYS 31 lone 1 83 - 1 - HB3 LEU 100 - HE3 LYS 19 lone 1 87 - 1 - QB ALA 28 - HE3 LYS 86 lone 1 89 - 1 - HG3 LYS 95 - HE3 LYS 86 lone 1 79 - 1 - QB ALA 29 - HE2 LYS 19 lone 1 86 - 1 - HG3 LYS 95 - HE2 LYS 36 lone 1 57 - 1 - HB3 LEU 100 - HE2 LYS 19 lone 1 87 - 1 - QB ALA 29 - HE3 LYS 19 lone 1 86 - 1 - QB ALA 108 - HE3 LYS 24 lone 0 92 - 1 - QB ALA 109 - HE2 LYS 36 lone 1 41 - 1 - QB ALA 110 - HE3 LYS 24 lone 0 98 - 0 - QB ALA 15 - HE2 LYS 19 lone 0 83 - 1 - QB ALA 15 - HE3 LYS 19 lone 0 83 - 1 - HB2 LEU 96 - HE3 LYS 86 lone 0 95 - 0 - HG2 LYS 95 - HE3 LYS 86 lone 0 66 - 1 - HG3 LYS 95 - HE2 LYS 19 lone 0 70 - 1 - HB2 LEU 42 - HE2 LYS 19 lone 0 86 - 0 - HG3 LYS 95 - HE3 LYS 19 lone 0 70 - 1 - QB ALA 109 - HE2 LYS 31 lone 0 50 - 1 - HG2 LYS 95 - HE2 LYS 36 lone 0 46 - 1 - HB3 LEU 100 - HE3 LYS 86 lone 0 96 - 0 - HB2 LEU 42 - HE2 LYS 31 lone 0 86 - 0 - QB ALA 28 - HE2 LYS 19 lone 0 79 - 0 - QB ALA 28 - HE3 LYS 19 lone 0 79 - 0 - QB ALA 15 - HE3 LYS 86 lone 0 92 - 0 - HG2 LYS 95 - HE3 LYS 19 lone 0 57 - 1 - HG2 LYS 95 - HE2 LYS 19 lone 0 57 - 1 - QB ALA 108 - HE2 LYS 19 lone 0 75 - 0 - QB ALA 110 - HE2 LYS 19 lone 0 83 - 0 - QB ALA 110 - HE3 LYS 19 lone 0 83 - 0 - QB ALA 108 - HE3 LYS 19 lone 0 75 - 0 - QB ALA 110 - HE3 LYS 86 lone 0 92 - 0 - QB ALA 109 - HE3 LYS 24 lone 0 65 - 0 - QB ALA 108 - HE3 LYS 86 lone 0 84 - 0 - HB2 LEU 42 - HE3 LYS 86 lone 0 95 - 0 - QB ALA 109 - HE2 LYS 19 lone 0 50 - 0 - QB ALA 109 - HE3 LYS 19 lone 0 50 - 0 - QB ALA 109 - HE3 LYS 86 lone 0 58 - 0 - Peak 572 from cnoeabs.peaks (1.45, 2.96, 41.80 ppm; 2.81 A): 4 out of 28 assignments used, quality = 0.98: * HG3 LYS 24 + HE3 LYS 24 OK 66 100 - 66 - 4.0=35, 1.8/571=4...(19) HG3 LYS 19 + HE3 LYS 19 OK 66 85 - 78 - 3.8=41, 1.8/329=9...(25) HG3 LYS 19 + HE2 LYS 19 OK 66 85 - 77 - 3.8=41, 1.8/318=9...(23) HG2 LYS 31 + HE2 LYS 31 OK 57 79 - 73 - 3.7=45, 1.8/840=4...(20) HG3 LYS 24 - HE2 LYS 19 OK 33 87 - 38 - 285/3.8=5, 297/2.9=3...(8) HG3 LYS 24 - HE3 LYS 19 OK 32 87 - 37 - 285/3.8=5, 297/2.9=3...(10) HG3 LYS 19 - HE3 LYS 24 OK 32 99 - 32 - 1.8/318=4, ~318=3...(10) HG2 LYS 31 - HE3 LYS 24 OK 30 96 - 32 - 517/4.0=2, 828/3.0=2...(11) HG3 LYS 24 - HE2 LYS 31 OK 29 87 - 34 - 836/3.7=3, 530/3.0=2...(7) HG2 LYS 31 - HE2 LYS 19 OK 25 79 - 32 - 275/3.8=3, 297/2.9=2...(11) HG3 LYS 19 - HE2 LYS 31 OK 24 85 - 28 - 1.8/329=3, 836/3.7=2...(9) HG2 LYS 31 - HE3 LYS 19 OK 23 79 - 29 - 275/3.8=3, 308/2.9=2...(9) HG3 LYS 24 - HE3 LYS 36 OK 20 100 - 20 - 1.8/520=1, 531/1.8=1...(5) HG3 LYS 19 - HE3 LYS 36 OK 15 99 - 15 - 1.8/318=2, ~318=2, 531/1.8=1 HG3 LYS 24 - HE2 LYS 36 OK 14 73 - 20 - 1.8/520=2, 531=1...(4) HG2 LYS 31 - HE3 LYS 36 OK 14 96 - 15 - 1.8/840=1 HG13 ILE 32 - HE2 LYS 31 OK 13 64 - 20 - 2.1/10903=4, ~10840=2...(7) HG3 LYS 19 - HE2 LYS 36 OK 12 71 - 16 - 1.8/318=2, ~318=1, ~329=1 HG2 LYS 31 - HE2 LYS 36 poor 10 66 - 15 - HG13 ILE 32 - HE2 LYS 19 poor 9 64 - 14 - 2.1/10903=2, 275/3.8=2...(5) HG13 ILE 32 - HE3 LYS 36 poor 8 81 - 10 - 2.1/10903=2, ~10842=1...(4) HG13 ILE 32 - HE3 LYS 19 poor 7 64 - 12 - 2.1/10903=2, 275/3.8=2, ~10903=1 HG13 ILE 32 - HE2 LYS 36 poor 6 52 - 11 - 2.1/10903=2, ~10903=1...(5) HG13 ILE 32 - HE3 LYS 24 lone 5 81 - 6 - 2.1/10903=2 HG3 LYS 24 - HE3 LYS 86 lone 3 96 - 4 - HG2 LYS 31 - HE3 LYS 86 lone 3 89 - 4 - HG3 LYS 19 - HE3 LYS 86 lone 2 94 - 2 - HG13 ILE 32 - HE3 LYS 86 lone 0 73 - 0 - Peak 573 from cnoeabs.peaks (1.66, 2.96, 41.80 ppm; 2.50 A): 8 out of 105 assignments used, quality = 1.00: * HD2 LYS 24 + HE3 LYS 24 OK 70 100 - 70 - 3.0=59, 542/1.8=3...(10) HD3 LYS 24 + HE3 LYS 24 OK 70 100 - 70 - 3.0=59, 542/1.8=3...(10) HD2 LYS 31 + HE2 LYS 31 OK 64 87 - 74 - 3.0=58, 839/3.7=3...(10) HD3 LYS 31 + HE2 LYS 31 OK 64 86 - 74 - 3.0=58, 839/3.7=3...(10) HD2 LYS 86 + HE3 LYS 86 OK 63 94 - 67 - 3.0=60, 3.0/2707=5...(7) HD3 LYS 86 + HE3 LYS 86 OK 63 94 - 67 - 3.0=60, 3.0/2707=5...(7) HD3 LYS 36 + HE3 LYS 36 OK 50 65 - 76 - 3.0=58, 1.8/1048=5...(26) HD2 LYS 36 + HE3 LYS 36 OK 50 65 - 76 - 3.0=58, 1.8/1048=5...(26) HD3 LYS 36 - HE2 LYS 36 OK 31 41 - 75 - 3.0=58, 1.8/1037=5...(25) HD2 LYS 36 - HE2 LYS 36 OK 31 41 - 75 - 3.0=58, 1.8/1037=5...(25) HD2 LYS 31 - HE3 LYS 24 OK 19 100 - 19 - 2.9/840=1, 2.9/829=1 HD3 LYS 31 - HE3 LYS 24 OK 19 100 - 19 - 2.9/840=1, 2.9/829=1 HD2 LYS 26 - HE2 LYS 31 OK 18 86 - 21 - 839/3.7=2, 828/3.7=1, 2.9/635=1 HD3 LYS 26 - HE2 LYS 31 OK 17 83 - 21 - 839/3.7=2, 828/3.7=1, 2.9/634=1 HD2 LYS 86 - HE3 LYS 24 OK 17 99 - 17 - 3.0/2707=2, 3.0/2668=2...(6) HD3 LYS 86 - HE3 LYS 24 OK 17 99 - 17 - 3.0/2707=2, 3.0/2668=2...(6) HD3 LYS 86 - HE3 LYS 36 OK 16 99 - 16 - 3.0/2707=2, 3.0/2668=1...(7) HD2 LYS 86 - HE3 LYS 36 OK 16 99 - 16 - 3.0/2707=2, 3.0/2668=1...(7) HD2 LYS 31 - HE2 LYS 19 OK 16 87 - 18 - HD3 LYS 31 - HE2 LYS 19 OK 15 86 - 18 - HD2 LYS 31 - HE3 LYS 19 OK 14 87 - 17 - 2.9/840=1, 2.9/829=1 HD3 LYS 31 - HE3 LYS 19 OK 14 86 - 16 - 2.9/840=1, 2.9/829=1 HD2 LYS 24 - HE2 LYS 19 OK 14 87 - 16 - 3.0/520=1 HD2 LYS 24 - HE3 LYS 19 OK 14 87 - 16 - HD3 LYS 24 - HE2 LYS 19 OK 14 86 - 16 - 3.0/520=1 HD3 LYS 24 - HE3 LYS 19 OK 14 86 - 16 - HD2 LYS 24 - HE2 LYS 31 OK 13 87 - 15 - 839/3.7=1, 828/3.7=1 HD3 LYS 24 - HE2 LYS 31 OK 13 86 - 15 - 839/3.7=1, 828/3.7=1 HD2 LYS 26 - HE3 LYS 24 OK 13 100 - 13 - HD3 LYS 26 - HE3 LYS 24 OK 12 98 - 13 - HD2 LYS 86 - HE2 LYS 36 OK 12 71 - 16 - 3.0/2707=2, 3.0/2668=1...(7) HD3 LYS 86 - HE2 LYS 36 OK 12 71 - 16 - 3.0/2707=2, 3.0/2668=1...(7) HD2 LYS 24 - HE3 LYS 36 OK 10 100 - 10 - HD2 LYS 36 - HE3 LYS 24 poor 10 65 - 15 - 3.0/1066=2, 3.0/1015=1...(4) HD3 LYS 36 - HE3 LYS 24 poor 10 65 - 15 - 3.0/1066=2, 3.0/1015=1...(4) HD3 LYS 24 - HE3 LYS 36 lone 10 100 - 10 - HD2 LYS 26 - HE2 LYS 19 poor 9 86 - 11 - HD2 LYS 31 - HE3 LYS 36 lone 9 100 - 9 - HD3 LYS 26 - HE2 LYS 19 poor 9 83 - 11 - HD3 LYS 31 - HE3 LYS 36 lone 9 100 - 9 - HD2 LYS 26 - HE3 LYS 19 lone 9 86 - 10 - HD3 LYS 26 - HE3 LYS 19 lone 8 83 - 10 - HD2 LYS 24 - HE3 LYS 86 lone 8 96 - 8 - 2698/1.8=1 HD3 LYS 24 - HE3 LYS 86 lone 8 95 - 8 - 2698/1.8=1 HD2 LYS 24 - HE2 LYS 36 poor 8 73 - 10 - HD3 LYS 24 - HE2 LYS 36 lone 7 73 - 10 - HD2 LYS 31 - HE2 LYS 36 lone 7 73 - 9 - HD3 LYS 31 - HE2 LYS 36 lone 7 73 - 9 - HD3 LYS 86 - HE2 LYS 31 lone 6 85 - 7 - HD2 LYS 86 - HE2 LYS 31 lone 6 85 - 7 - HD2 LYS 86 - HE2 LYS 19 lone 6 85 - 7 - HD3 LYS 86 - HE2 LYS 19 lone 6 85 - 7 - HD2 LYS 31 - HE3 LYS 86 lone 6 96 - 6 - HD3 LYS 31 - HE3 LYS 86 lone 6 95 - 6 - HD3 LYS 86 - HE3 LYS 19 lone 6 85 - 7 - HD2 LYS 86 - HE3 LYS 19 lone 6 85 - 7 - HD2 LYS 26 - HE3 LYS 36 lone 5 100 - 5 - HD3 LYS 26 - HE3 LYS 36 lone 5 98 - 5 - HD3 LYS 36 - HE3 LYS 19 lone 5 50 - 9 - HD2 LYS 36 - HE3 LYS 19 lone 5 50 - 9 - HD3 LYS 36 - HE2 LYS 31 lone 4 50 - 9 - HD2 LYS 36 - HE2 LYS 31 lone 4 50 - 9 - HD2 LYS 36 - HE2 LYS 19 lone 4 50 - 8 - HD3 LYS 36 - HE2 LYS 19 lone 4 50 - 8 - HD2 LYS 26 - HE2 LYS 36 lone 4 73 - 5 - HD3 LYS 26 - HE2 LYS 36 lone 4 69 - 5 - HD2 LYS 36 - HE3 LYS 86 lone 3 58 - 6 - ~2697=1 HD3 LYS 36 - HE3 LYS 86 lone 3 58 - 6 - ~2697=1 QB ALA 88 - HE3 LYS 86 lone 3 96 - 3 - HD2 LYS 26 - HE3 LYS 86 lone 3 95 - 3 - HD3 LYS 26 - HE3 LYS 86 lone 3 92 - 3 - HB2 LEU 69 - HE3 LYS 36 lone 3 73 - 3 - HD3 LYS 95 - HE2 LYS 31 lone 2 85 - 3 - HD2 LYS 95 - HE2 LYS 31 lone 2 64 - 3 - HB2 LEU 69 - HE2 LYS 36 lone 2 46 - 3 - HB2 LEU 69 - HE3 LYS 24 lone 1 73 - 2 - HD3 LYS 95 - HE3 LYS 24 lone 1 99 - 1 - HD3 LYS 95 - HE3 LYS 86 lone 1 94 - 1 - HD2 LYS 95 - HE3 LYS 24 lone 1 81 - 1 - HB2 LEU 69 - HE2 LYS 31 lone 1 57 - 1 - HD2 LYS 95 - HE3 LYS 86 lone 1 73 - 1 - QB ALA 88 - HE3 LYS 24 lone 1 100 - 1 - HD3 LYS 95 - HE3 LYS 36 lone 0 99 - 0 - HB2 LEU 98 - HE3 LYS 24 lone 0 65 - 1 - HB2 LEU 98 - HE2 LYS 31 lone 0 50 - 1 - QB ALA 88 - HE3 LYS 36 lone 0 100 - 0 - QB ALA 88 - HE2 LYS 31 lone 0 87 - 0 - HB2 LEU 98 - HE2 LYS 19 lone 0 50 - 1 - HB2 LEU 98 - HE3 LYS 19 lone 0 50 - 1 - HD3 LYS 95 - HE2 LYS 19 lone 0 85 - 0 - HD3 LYS 95 - HE3 LYS 19 lone 0 85 - 0 - HB2 LEU 98 - HE3 LYS 86 lone 0 58 - 1 - HD2 LYS 95 - HE3 LYS 36 lone 0 81 - 0 - HD3 LYS 95 - HE2 LYS 36 lone 0 71 - 0 - QB ALA 88 - HE2 LYS 36 lone 0 73 - 0 - QB ALA 88 - HE2 LYS 19 lone 0 87 - 0 - QB ALA 88 - HE3 LYS 19 lone 0 87 - 0 - HD2 LYS 95 - HE2 LYS 19 lone 0 64 - 0 - HD2 LYS 95 - HE3 LYS 19 lone 0 64 - 0 - HD2 LYS 95 - HE2 LYS 36 lone 0 52 - 0 - HB2 LEU 69 - HE3 LYS 86 lone 0 66 - 0 - HB2 LEU 69 - HE2 LYS 19 lone 0 57 - 0 - HB2 LEU 69 - HE3 LYS 19 lone 0 57 - 0 - HB2 LEU 98 - HE3 LYS 36 lone 0 65 - 0 - HB2 LEU 98 - HE2 LYS 36 lone 0 41 - 0 - Peak 574 from cnoeabs.peaks (1.66, 2.96, 41.80 ppm; 2.50 A): 6 out of 91 assignments used, quality = 1.00: * HD3 LYS 24 + HE3 LYS 24 OK 70 100 - 70 - 3.0=59, 542/1.8=3...(10) HD2 LYS 24 + HE3 LYS 24 OK 70 100 - 70 - 3.0=59, 542/1.8=3...(10) HD3 LYS 31 + HE2 LYS 31 OK 64 87 - 74 - 3.0=58, 839/3.7=3...(10) HD3 LYS 86 + HE3 LYS 86 OK 64 95 - 67 - 3.0=60, 3.0/2707=5...(7) HD2 LYS 86 + HE3 LYS 86 OK 64 95 - 67 - 3.0=60, 3.0/2707=5...(7) HD2 LYS 31 + HE2 LYS 31 OK 64 86 - 74 - 3.0=58, 839/3.7=3...(10) HD2 LYS 31 - HE3 LYS 24 OK 19 100 - 19 - 2.9/840=1, 2.9/829=1 HD3 LYS 31 - HE3 LYS 24 OK 19 100 - 19 - 2.9/840=1, 2.9/829=1 HD2 LYS 26 - HE2 LYS 31 OK 18 87 - 21 - 839/3.7=2, 828/3.7=1, 2.9/634=1 HD3 LYS 26 - HE2 LYS 31 OK 18 85 - 21 - 839/3.7=2, 828/3.7=1, 2.9/635=1 HD2 LYS 86 - HE3 LYS 24 OK 17 100 - 17 - 3.0/2707=2, 3.0/2668=2...(7) HD3 LYS 86 - HE3 LYS 24 OK 17 100 - 17 - 3.0/2707=2, 3.0/2668=2...(7) HD2 LYS 86 - HE3 LYS 36 OK 16 100 - 16 - 3.0/2707=2, 3.0/2668=1...(7) HD3 LYS 86 - HE3 LYS 36 OK 16 100 - 16 - 3.0/2707=2, 3.0/2668=1...(7) HD2 LYS 31 - HE2 LYS 19 OK 15 86 - 18 - HD3 LYS 31 - HE2 LYS 19 OK 15 87 - 18 - HD3 LYS 31 - HE3 LYS 19 OK 14 87 - 16 - 2.9/840=1, 2.9/829=1 HD2 LYS 31 - HE3 LYS 19 OK 14 86 - 17 - 2.9/840=1, 2.9/829=1 HD2 LYS 24 - HE2 LYS 19 OK 14 86 - 16 - 3.0/520=1 HD3 LYS 24 - HE2 LYS 19 OK 14 87 - 16 - 3.0/520=1 HD3 LYS 24 - HE3 LYS 19 OK 14 87 - 16 - HD2 LYS 24 - HE3 LYS 19 OK 14 86 - 16 - HD3 LYS 24 - HE2 LYS 31 OK 13 87 - 15 - 839/3.7=1, 828/3.7=1 HD2 LYS 24 - HE2 LYS 31 OK 13 86 - 15 - 839/3.7=1, 828/3.7=1 HD2 LYS 26 - HE3 LYS 24 OK 13 100 - 13 - HD3 LYS 26 - HE3 LYS 24 OK 13 99 - 13 - HD2 LYS 86 - HE2 LYS 36 OK 12 73 - 16 - 3.0/2707=2, 3.0/2668=1...(7) HD3 LYS 86 - HE2 LYS 36 OK 12 73 - 16 - 3.0/2707=2, 3.0/2668=1...(7) HD2 LYS 24 - HE3 LYS 36 lone 10 100 - 10 - HD3 LYS 24 - HE3 LYS 36 lone 10 100 - 10 - HD2 LYS 26 - HE2 LYS 19 poor 10 87 - 11 - HD3 LYS 26 - HE2 LYS 19 poor 9 85 - 11 - HD2 LYS 31 - HE3 LYS 36 lone 9 100 - 9 - HD3 LYS 31 - HE3 LYS 36 lone 9 100 - 9 - HD2 LYS 26 - HE3 LYS 19 lone 9 87 - 10 - HD3 LYS 26 - HE3 LYS 19 lone 8 85 - 10 - HD3 LYS 24 - HE3 LYS 86 lone 8 96 - 8 - 2699/1.8=1 HD2 LYS 24 - HE3 LYS 86 lone 8 95 - 8 - 2699/1.8=1 HD3 LYS 24 - HE2 LYS 36 lone 7 73 - 10 - HD2 LYS 24 - HE2 LYS 36 lone 7 73 - 10 - HD3 LYS 31 - HE2 LYS 36 lone 7 73 - 9 - HD2 LYS 31 - HE2 LYS 36 lone 7 73 - 9 - HD2 LYS 86 - HE2 LYS 31 lone 6 86 - 7 - HD3 LYS 86 - HE2 LYS 31 lone 6 86 - 7 - HD2 LYS 86 - HE2 LYS 19 lone 6 86 - 7 - HD3 LYS 86 - HE2 LYS 19 lone 6 86 - 7 - HD3 LYS 31 - HE3 LYS 86 lone 6 96 - 6 - HD2 LYS 31 - HE3 LYS 86 lone 6 95 - 6 - HD2 LYS 86 - HE3 LYS 19 lone 6 86 - 7 - HD3 LYS 86 - HE3 LYS 19 lone 6 86 - 7 - HD3 LYS 26 - HE3 LYS 36 lone 5 99 - 5 - HD2 LYS 26 - HE3 LYS 36 lone 5 100 - 5 - HD2 LYS 26 - HE2 LYS 36 lone 4 73 - 5 - HD3 LYS 26 - HE2 LYS 36 lone 4 71 - 5 - QB ALA 88 - HE3 LYS 86 lone 3 95 - 3 - HD2 LYS 26 - HE3 LYS 86 lone 3 96 - 3 - HD3 LYS 26 - HE3 LYS 86 lone 3 94 - 3 - HD3 LYS 95 - HE2 LYS 31 lone 2 86 - 3 - HB2 LEU 69 - HE3 LYS 36 lone 2 65 - 3 - HD2 LYS 95 - HE2 LYS 31 lone 2 70 - 3 - HB2 LEU 69 - HE2 LYS 36 lone 1 41 - 3 - HD3 LYS 95 - HE3 LYS 24 lone 1 100 - 1 - HB2 LEU 69 - HE3 LYS 24 lone 1 65 - 2 - HD3 LYS 95 - HE3 LYS 86 lone 1 95 - 1 - HD2 LYS 95 - HE3 LYS 24 lone 1 87 - 1 - HD2 LYS 95 - HE3 LYS 86 lone 1 79 - 1 - HB2 LEU 69 - HE2 LYS 31 lone 1 50 - 1 - QB ALA 88 - HE3 LYS 24 lone 1 100 - 1 - HB2 LEU 98 - HE3 LYS 24 lone 0 73 - 1 - HB2 LEU 98 - HE2 LYS 31 lone 1 57 - 1 - HD3 LYS 95 - HE3 LYS 36 lone 0 100 - 0 - HB2 LEU 98 - HE2 LYS 19 lone 0 57 - 1 - HB2 LEU 98 - HE3 LYS 19 lone 0 57 - 1 - HB2 LEU 98 - HE3 LYS 86 lone 0 66 - 1 - QB ALA 88 - HE3 LYS 36 lone 0 100 - 0 - QB ALA 88 - HE2 LYS 31 lone 0 86 - 0 - HD2 LYS 95 - HE3 LYS 36 lone 0 87 - 0 - HD3 LYS 95 - HE2 LYS 19 lone 0 86 - 0 - HD3 LYS 95 - HE3 LYS 19 lone 0 86 - 0 - HD3 LYS 95 - HE2 LYS 36 lone 0 73 - 0 - QB ALA 88 - HE2 LYS 36 lone 0 73 - 0 - HD2 LYS 95 - HE2 LYS 19 lone 0 70 - 0 - HD2 LYS 95 - HE3 LYS 19 lone 0 70 - 0 - QB ALA 88 - HE2 LYS 19 lone 0 86 - 0 - QB ALA 88 - HE3 LYS 19 lone 0 86 - 0 - HD2 LYS 95 - HE2 LYS 36 lone 0 57 - 0 - HB2 LEU 98 - HE3 LYS 36 lone 0 73 - 0 - HB2 LEU 69 - HE3 LYS 86 lone 0 58 - 0 - HB2 LEU 69 - HE2 LYS 19 lone 0 50 - 0 - HB2 LEU 69 - HE3 LYS 19 lone 0 50 - 0 - HB2 LEU 98 - HE2 LYS 36 lone 0 46 - 0 - Peak 575 from cnoeabs.peaks (2.96, 2.96, 41.80 ppm; diagonal): 7 out of 7 assignments used, quality = 1.00: HE3 LYS 86 + HE3 LYS 86 OK 89 89 - 100 HE3 LYS 36 + HE3 LYS 36 OK 87 87 - 100 HE3 LYS 24 + HE3 LYS 24 OK 87 87 - 100 HE2 LYS 19 + HE2 LYS 19 OK 83 83 - 100 HE2 LYS 36 + HE2 LYS 36 OK 71 71 - 100 HE3 LYS 19 + HE3 LYS 19 OK 50 50 - 100 HE2 LYS 31 + HE2 LYS 31 OK 50 50 - 100 Reference assignment not found: HE2 LYS 24 - HE3 LYS 24 Peak 576 from cnoeabs.peaks (2.96, 2.96, 41.80 ppm; diagonal): 7 out of 7 assignments used, quality = 1.00: * HE3 LYS 24 + HE3 LYS 24 OK 100 100 - 100 HE3 LYS 36 + HE3 LYS 36 OK 100 100 - 100 HE3 LYS 86 + HE3 LYS 86 OK 94 94 - 100 HE2 LYS 31 + HE2 LYS 31 OK 83 83 - 100 HE3 LYS 19 + HE3 LYS 19 OK 83 83 - 100 HE2 LYS 19 + HE2 LYS 19 OK 83 83 - 100 HE2 LYS 36 + HE2 LYS 36 OK 66 66 - 100 Peak 578 from cnoeabs.peaks (8.10, 4.29, 61.82 ppm; 3.19 A): 1 out of 1 assignment used, quality = 1.00: * H THR 25 + HA THR 25 OK 100 100 - 100 - 3.0=100 Peak 579 from cnoeabs.peaks (4.29, 4.29, 61.82 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA THR 25 + HA THR 25 OK 100 100 - 100 Peak 580 from cnoeabs.peaks (4.20, 4.29, 61.82 ppm; 2.50 A): 1 out of 4 assignments used, quality = 0.80: * HB THR 25 + HA THR 25 OK 80 100 - 80 - 3.0=57, 2.1/581=21...(11) HB THR 18 - HA THR 25 lone 5 73 - 6 - 228=2, 2.1/233=1 HA ALA 88 - HA THR 25 lone 3 99 - 3 - HA GLU 128 - HA THR 25 lone 1 92 - 1 - Peak 581 from cnoeabs.peaks (1.19, 4.29, 61.82 ppm; 2.72 A): 2 out of 2 assignments used, quality = 0.87: * QG2 THR 25 + HA THR 25 OK 85 100 - 85 - 3.2=61, 2.1/580=28...(11) QG2 VAL 77 + HA THR 25 OK 15 87 - 17 - 2.1/11154=6, ~10695=3...(6) Peak 582 from cnoeabs.peaks (8.37, 4.29, 61.82 ppm; 2.50 A): 2 out of 5 assignments used, quality = 0.76: * H LYS 26 + HA THR 25 OK 59 100 - 59 - 3.6=34, 6245/3.0=15...(4) H LYS 24 + HA THR 25 OK 42 100 - 42 - 6228/3.0=15, 6212=13...(8) H GLY 14 - HA THR 25 lone 2 96 - 2 - H HIS 3 - HA THR 25 lone 0 65 - 0 - H THR 65 - HA THR 25 lone 0 57 - 0 - Peak 583 from cnoeabs.peaks (8.10, 4.20, 69.83 ppm; 3.14 A): 1 out of 1 assignment used, quality = 0.84: * H THR 25 + HB THR 25 OK 84 100 - 84 - 3.9=50, 6242/2.1=30...(8) Peak 584 from cnoeabs.peaks (4.29, 4.20, 69.83 ppm; 2.50 A): 2 out of 9 assignments used, quality = 0.83: * HA THR 25 + HB THR 25 OK 80 100 - 80 - 3.0=57, 581/2.1=21...(11) HA ARG 23 + HB THR 25 OK 15 92 - 16 - 3.6/587=4, 589/2.1=3...(5) HA THR 18 - HB THR 25 lone 5 100 - 5 - 224=1, 589/2.1=1 HA ALA 15 - HB THR 25 lone 1 87 - 2 - HA ALA 21 - HB THR 25 lone 1 100 - 1 - HA SER 74 - HB THR 25 lone 1 100 - 1 - HA ALA 110 - HB THR 25 lone 1 81 - 1 - HA ALA 12 - HB THR 25 lone 1 87 - 1 - HA GLN 61 - HB THR 25 lone 0 57 - 0 - Peak 585 from cnoeabs.peaks (4.20, 4.20, 69.83 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 25 + HB THR 25 OK 100 100 - 100 Peak 586 from cnoeabs.peaks (1.19, 4.20, 69.83 ppm; 2.50 A): 1 out of 2 assignments used, quality = 1.00: * QG2 THR 25 + HB THR 25 OK 100 100 - 100 - 2.1=100 QG2 VAL 77 - HB THR 25 OK 12 87 - 14 - 2.1/10695=3, ~11154=3...(7) Peak 587 from cnoeabs.peaks (8.37, 4.20, 69.83 ppm; 2.87 A): 2 out of 5 assignments used, quality = 0.82: * H LYS 26 + HB THR 25 OK 71 100 - 72 - 6247=45, 6248/2.1=20...(6) H LYS 24 + HB THR 25 OK 37 100 - 37 - 6228/3.9=14, 582/3.0=10...(7) H GLY 14 - HB THR 25 lone 2 96 - 2 - H HIS 3 - HB THR 25 lone 0 65 - 0 - H THR 65 - HB THR 25 lone 0 57 - 0 - Peak 588 from cnoeabs.peaks (8.10, 1.19, 21.28 ppm; 3.88 A): 1 out of 1 assignment used, quality = 0.98: * H THR 25 + QG2 THR 25 OK 98 100 - 98 - 4.0=89, 583/2.1=43...(7) Peak 589 from cnoeabs.peaks (4.29, 1.19, 21.28 ppm; 3.06 A): 1 out of 9 assignments used, quality = 0.96: * HA THR 25 + QG2 THR 25 OK 96 100 - 96 - 3.2=87, 580/2.1=34...(11) HA ARG 23 - QG2 THR 25 OK 21 92 - 23 - 3.6/10740=7, 584/2.1=5...(5) HA THR 18 - QG2 THR 25 lone 6 100 - 6 - 584/2.1=2 HA ALA 15 - QG2 THR 25 lone 2 87 - 2 - HA SER 74 - QG2 THR 25 lone 1 100 - 1 - HA ALA 21 - QG2 THR 25 lone 1 100 - 1 - HA ALA 12 - QG2 THR 25 lone 1 87 - 1 - HA ALA 110 - QG2 THR 25 lone 1 81 - 1 - HA GLN 61 - QG2 THR 25 lone 0 57 - 0 - Peak 590 from cnoeabs.peaks (4.20, 1.19, 21.28 ppm; 2.88 A): 1 out of 4 assignments used, quality = 1.00: * HB THR 25 + QG2 THR 25 OK 100 100 - 100 - 2.1=100 HB THR 18 - QG2 THR 25 lone 4 73 - 5 - 580/3.2=1, 3.0/589=1 HA ALA 88 - QG2 THR 25 lone 3 99 - 3 - HA GLU 128 - QG2 THR 25 lone 2 92 - 2 - Peak 591 from cnoeabs.peaks (1.19, 1.19, 21.28 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 25 + QG2 THR 25 OK 100 100 - 100 Peak 592 from cnoeabs.peaks (8.37, 1.19, 21.28 ppm; 4.14 A): 2 out of 5 assignments used, quality = 0.99: * H LYS 26 + QG2 THR 25 OK 98 100 - 98 - 4.3=92, 6247/2.1=43...(6) H LYS 24 + QG2 THR 25 OK 63 100 - 64 - 6228/4.0=30, 10740=18...(6) H GLY 14 - QG2 THR 25 lone 3 96 - 3 - H THR 65 - QG2 THR 25 lone 1 57 - 1 - H HIS 3 - QG2 THR 25 lone 1 65 - 1 - Peak 593 from cnoeabs.peaks (8.37, 4.27, 56.60 ppm; 2.55 A): 4 out of 10 assignments used, quality = 0.89: * H LYS 26 + HA LYS 26 OK 79 100 - 79 - 2.9=65, 6258/3.6=13...(10) H LYS 24 + HA LYS 26 OK 26 100 - 26 - 615/3.0=4, 6213/3.0=4...(10) H LYS 26 + HA LYS 19 OK 21 82 - 26 - 6249=9, 6250/3.0=3...(9) H LYS 24 + HA LYS 19 OK 12 81 - 15 - 6213/3.0=2, 6223/4.2=2 H GLY 14 - HA LYS 26 lone 2 96 - 2 - H GLY 14 - HA LYS 19 lone 1 74 - 1 - H THR 65 - HA LYS 19 lone 0 40 - 1 - H THR 65 - HA LYS 26 lone 0 57 - 0 - H HIS 3 - HA LYS 26 lone 0 65 - 0 - H HIS 3 - HA LYS 19 lone 0 47 - 0 - Peak 594 from cnoeabs.peaks (4.27, 4.27, 56.60 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA LYS 26 + HA LYS 26 OK 100 100 - 100 HA LYS 19 + HA LYS 19 OK 80 80 - 100 Peak 595 from cnoeabs.peaks (1.75, 4.27, 56.60 ppm; 2.76 A): 3 out of 12 assignments used, quality = 0.99: * HB2 LYS 26 + HA LYS 26 OK 91 100 - 91 - 3.0=77, 1.8/616=13...(26) HB2 LYS 19 + HA LYS 19 OK 76 82 - 93 - 3.0=81, 248/3.0=13...(23) HB2 LYS 24 + HA LYS 26 OK 47 98 - 48 - 6250/2.9=5, 605=5...(21) HB2 LYS 19 - HA LYS 26 OK 41 100 - 42 - 3.0/271=5, 249=5...(15) HB2 LYS 26 - HA LYS 19 OK 33 82 - 41 - 1.8/616=5, 605=4...(12) HB2 LYS 24 - HA LYS 19 OK 31 78 - 40 - 6149/3.0=4, 605=4...(14) HB2 LYS 31 - HA LYS 26 OK 30 81 - 37 - 1.8/260=3, 6250/2.9=3...(12) HB2 ARG 23 - HA LYS 26 OK 24 92 - 26 - 428/3.0=3, 433/2.9=3...(12) HB2 LYS 31 - HA LYS 19 OK 20 59 - 34 - 6149/3.0=3, 1.8/260=3...(10) HB2 ARG 23 - HA LYS 19 lone 5 70 - 7 - 6161/3.6=1, 4.2/593=1 HG13 ILE 129 - HA LYS 26 lone 4 87 - 5 - HG13 ILE 129 - HA LYS 19 lone 1 65 - 2 - Peak 596 from cnoeabs.peaks (1.82, 4.27, 56.60 ppm; 2.72 A): 3 out of 22 assignments used, quality = 0.97: * HB3 LYS 26 + HA LYS 26 OK 89 100 - 89 - 3.0=74, 625/3.6=10...(26) HB3 LYS 19 + HA LYS 19 OK 54 59 - 92 - 3.0=78, 3.9/6148=9...(23) HB3 LYS 24 + HA LYS 26 OK 41 92 - 45 - 616=5, 6251/2.9=4...(21) HB3 LYS 26 - HA LYS 19 OK 32 82 - 39 - 616=7, 3.0/627=4...(10) HB3 LYS 19 - HA LYS 26 OK 30 81 - 37 - 3.0/271=5, 1.8/595=3...(13) HB3 LYS 31 - HA LYS 26 OK 28 81 - 35 - 260=3, 3.0/597=2...(11) HB3 LYS 24 - HA LYS 19 OK 26 70 - 37 - 616=4, 2.9/282=2...(13) HB3 ARG 23 - HA LYS 26 OK 25 96 - 26 - 442/2.9=3, 436/3.0=3...(11) HB ILE 32 - HA LYS 26 OK 19 100 - 19 - 3.2/10753=3, 2.9/597=2...(6) HB3 LYS 31 - HA LYS 19 OK 19 59 - 31 - 259/3.0=3, 260=3...(7) HB2 LYS 36 - HA LYS 26 OK 17 99 - 17 - 985=2, 1.8/996=2...(4) HB ILE 32 - HA LYS 19 OK 15 81 - 18 - 3.2/10753=2, 900/4.2=2...(6) HB2 LYS 36 - HA LYS 19 poor 8 80 - 10 - 985=1 HB2 LEU 100 - HA LYS 26 lone 7 98 - 8 - HB3 LEU 123 - HA LYS 26 lone 5 73 - 7 - ~10748=2, ~10701=2 HB3 ARG 23 - HA LYS 19 lone 4 74 - 5 - 436/3.0=1, 4.2/593=1 HB3 LEU 123 - HA LYS 19 lone 4 52 - 7 - ~10701=1, ~10748=1 HB3 ARG 135 - HA LYS 26 lone 2 100 - 2 - HB3 ARG 135 - HA LYS 19 lone 1 81 - 1 - HB2 LEU 100 - HA LYS 19 lone 1 78 - 1 - HB VAL 93 - HA LYS 26 lone 1 65 - 1 - HB VAL 93 - HA LYS 19 lone 0 47 - 0 - Peak 597 from cnoeabs.peaks (1.43, 4.27, 56.60 ppm; 3.05 A): 3 out of 8 assignments used, quality = 0.93: * HG2 LYS 26 + HA LYS 26 OK 84 100 - 84 - 4.0=43, 6252/2.9=13...(27) HG2 LYS 26 + HA LYS 19 OK 38 82 - 46 - 627=10, 1.8/638=5...(13) HG2 LYS 31 + HA LYS 26 OK 27 65 - 42 - 6252/2.9=4, 619/3.0=4...(15) HG13 ILE 32 - HA LYS 26 OK 22 87 - 26 - 2.1/10753=5, 619/3.0=3...(11) HG2 LYS 31 - HA LYS 19 OK 15 47 - 31 - 3.0/260=2, ~835=2...(14) HG13 ILE 32 - HA LYS 19 OK 14 65 - 21 - 2.1/10753=4, ~10738=2...(9) QB ALA 92 - HA LYS 26 OK 10 98 - 10 - 11317/3.0=3, 6264/3.6=2...(4) QB ALA 92 - HA LYS 19 lone 3 78 - 4 - 11317/3.0=1 Peak 598 from cnoeabs.peaks (1.38, 4.27, 56.60 ppm; 2.87 A): 4 out of 30 assignments used, quality = 0.94: * HG3 LYS 26 + HA LYS 26 OK 77 100 - 77 - 4.0=36, 1.8/597=12...(23) HG2 LYS 24 + HA LYS 26 OK 47 99 - 48 - 6253/2.9=5, 1.8/282=4...(17) HG3 LYS 26 + HA LYS 19 OK 32 82 - 39 - 1.8/627=6, 638=5...(16) HG2 LYS 24 + HA LYS 19 OK 32 80 - 40 - 1.8/282=4, 638=3, ~281=3...(16) HG3 LYS 31 - HA LYS 26 OK 24 65 - 37 - 1.8/597=4, 6253/2.9=2...(14) HG2 LYS 36 - HA LYS 26 OK 18 100 - 18 - 1007=2, 1008/3.0=2...(8) HG3 LYS 31 - HA LYS 19 OK 14 47 - 29 - 1.8/242=2, 3.0/260=2...(12) HG2 LYS 36 - HA LYS 19 poor 9 81 - 11 - 1007=1, 1008/3.0=1 HB3 LEU 100 - HA LYS 26 lone 8 99 - 8 - 3243/3.0=2 QB ALA 28 - HA LYS 26 lone 5 99 - 5 - 6265/3.6=3 HG3 LYS 95 - HA LYS 26 lone 3 96 - 3 - QB ALA 29 - HA LYS 26 lone 3 100 - 3 - 6265/3.6=1 HG2 LYS 95 - HA LYS 26 lone 3 87 - 3 - QB ALA 15 - HA LYS 26 lone 2 100 - 2 - HB2 LEU 96 - HA LYS 26 lone 2 100 - 2 - QB ALA 29 - HA LYS 19 lone 1 81 - 2 - QB ALA 108 - HA LYS 26 lone 1 98 - 1 - QB ALA 15 - HA LYS 19 lone 1 81 - 1 - QB ALA 110 - HA LYS 26 lone 1 100 - 1 - QB ALA 28 - HA LYS 19 lone 1 80 - 1 - HB3 LEU 100 - HA LYS 19 lone 1 80 - 1 - HG3 LYS 95 - HA LYS 19 lone 1 74 - 1 - HB2 LEU 42 - HA LYS 26 lone 1 98 - 1 - HG2 LYS 95 - HA LYS 19 lone 1 65 - 1 - QB ALA 109 - HA LYS 26 lone 1 81 - 1 - HB2 LEU 96 - HA LYS 19 lone 1 81 - 1 - QB ALA 110 - HA LYS 19 lone 1 81 - 1 - QB ALA 108 - HA LYS 19 lone 1 78 - 1 - HB2 LEU 42 - HA LYS 19 lone 0 78 - 0 - QB ALA 109 - HA LYS 19 lone 0 59 - 1 - Peak 599 from cnoeabs.peaks (1.66, 4.27, 56.60 ppm; 3.22 A): 6 out of 26 assignments used, quality = 1.00: * HD2 LYS 26 + HA LYS 26 OK 80 100 - 80 - 5.0=27, 2.9/597=11...(34) HD3 LYS 26 + HA LYS 26 OK 79 99 - 80 - 5.0=27, 2.9/597=11...(33) HD2 LYS 24 + HA LYS 26 OK 53 100 - 53 - 3.0/598=5, 3.0/282=4...(22) HD3 LYS 24 + HA LYS 26 OK 53 100 - 53 - 3.0/598=5, 3.0/282=4...(22) HD2 LYS 31 + HA LYS 26 OK 52 100 - 52 - 2.9/597=3, 621/3.0=3...(24) HD3 LYS 31 + HA LYS 26 OK 52 100 - 52 - 2.9/597=3, 621/3.0=3...(24) HD2 LYS 26 - HA LYS 19 OK 34 82 - 42 - 2.9/627=6, 2.9/638=4...(15) HD3 LYS 24 - HA LYS 19 OK 34 82 - 41 - 3.0/282=4, 3.0/598=3...(11) HD2 LYS 24 - HA LYS 19 OK 33 81 - 41 - 3.0/282=4, 3.0/598=3...(11) HD3 LYS 31 - HA LYS 19 OK 32 82 - 40 - 2.9/242=2, 3.5/260=2...(17) HD2 LYS 31 - HA LYS 19 OK 32 81 - 40 - 2.9/242=2, 3.5/260=2...(17) HD3 LYS 26 - HA LYS 19 OK 32 80 - 40 - 2.9/627=6, 2.9/638=4...(11) HD2 LYS 86 - HA LYS 19 lone 5 81 - 7 - ~2659=1 HD3 LYS 86 - HA LYS 19 lone 5 81 - 7 - ~2659=1 HD3 LYS 95 - HA LYS 26 lone 4 100 - 4 - HD3 LYS 86 - HA LYS 26 lone 4 100 - 4 - HD2 LYS 86 - HA LYS 26 lone 4 100 - 4 - HD2 LYS 95 - HA LYS 26 lone 3 87 - 3 - QB ALA 88 - HA LYS 26 lone 3 100 - 3 - QB ALA 88 - HA LYS 19 lone 2 81 - 3 - 3.0/7178=1 HD3 LYS 95 - HA LYS 19 lone 1 81 - 1 - HB2 LEU 98 - HA LYS 26 lone 1 73 - 2 - HB2 LEU 98 - HA LYS 19 lone 1 53 - 2 - HD2 LYS 95 - HA LYS 19 lone 1 65 - 1 - HB2 LEU 69 - HA LYS 26 lone 0 65 - 1 - HB2 LEU 69 - HA LYS 19 lone 0 47 - 1 - Peak 600 from cnoeabs.peaks (1.66, 4.27, 56.60 ppm; 3.22 A): 6 out of 30 assignments used, quality = 1.00: * HD3 LYS 26 + HA LYS 26 OK 80 100 - 80 - 5.0=27, 2.9/597=11...(33) HD2 LYS 26 + HA LYS 26 OK 79 99 - 80 - 5.0=27, 2.9/597=11...(34) HD3 LYS 24 + HA LYS 26 OK 52 99 - 53 - 3.0/598=5, 3.0/282=4...(22) HD2 LYS 24 + HA LYS 26 OK 52 98 - 53 - 3.0/598=5, 3.0/282=4...(22) HD3 LYS 31 + HA LYS 26 OK 51 99 - 52 - 2.9/597=3, 660=3...(24) HD2 LYS 31 + HA LYS 26 OK 51 98 - 52 - 2.9/597=3, 621/3.0=3...(24) HD3 LYS 19 - HA LYS 19 OK 39 47 - 84 - 5.2=24, 3.0/271=12...(36) HD2 LYS 19 - HA LYS 19 OK 39 47 - 84 - 5.2=24, 3.0/271=12...(36) HD2 LYS 26 - HA LYS 19 OK 33 80 - 42 - 2.9/627=6, 2.9/638=4...(15) HD3 LYS 26 - HA LYS 19 OK 33 82 - 41 - 2.9/627=6, 2.9/638=4...(12) HD3 LYS 24 - HA LYS 19 OK 33 80 - 41 - 3.0/282=4, 3.0/598=3...(11) HD2 LYS 24 - HA LYS 19 OK 32 78 - 41 - 3.0/282=4, 3.0/598=3...(11) HD3 LYS 31 - HA LYS 19 OK 32 80 - 39 - 2.9/242=2, 3.5/260=2...(17) HD2 LYS 31 - HA LYS 19 OK 31 78 - 40 - 2.9/242=2, 3.5/260=2...(17) HD2 LYS 19 - HA LYS 26 OK 29 65 - 45 - 3.0/271=7, 1.8/304=5...(20) HD3 LYS 19 - HA LYS 26 OK 29 65 - 45 - 3.0/271=7, 1.8/304=5...(20) HB2 LEU 123 - HA LYS 26 lone 7 73 - 9 - ~10748=3, ~10701=3 HD3 LYS 86 - HA LYS 19 lone 5 81 - 7 - ~2659=1 HD2 LYS 86 - HA LYS 19 lone 5 81 - 7 - ~2659=1 HB2 LEU 123 - HA LYS 19 lone 5 53 - 9 - ~10701=2, ~10748=2, 6165/3.6=1 HD3 LYS 95 - HA LYS 26 lone 4 100 - 4 - HD3 LYS 86 - HA LYS 26 lone 4 100 - 3 - HD2 LYS 86 - HA LYS 26 lone 4 100 - 3 - HD2 LYS 95 - HA LYS 26 lone 3 96 - 3 - QB ALA 88 - HA LYS 26 lone 3 98 - 3 - QB ALA 88 - HA LYS 19 lone 2 78 - 3 - 3.0/7178=1 HB2 LEU 98 - HA LYS 19 lone 1 65 - 2 - HB2 LEU 98 - HA LYS 26 lone 1 87 - 2 - HD3 LYS 95 - HA LYS 19 lone 1 81 - 1 - HD2 LYS 95 - HA LYS 19 lone 1 74 - 1 - Peak 603 from cnoeabs.peaks (8.39, 4.27, 56.60 ppm; 2.55 A): 3 out of 8 assignments used, quality = 0.73: * H GLN 27 + HA LYS 26 OK 65 100 - 65 - 3.6=37, 6258/2.9=18...(8) H GLN 27 + HA LYS 19 OK 16 82 - 19 - 6261=9, 614/3.0=2...(6) H ASP 35 + HA LYS 26 OK 11 99 - 11 - 625/3.0=3, 6258/2.9=2...(5) H ASP 35 - HA LYS 19 lone 2 80 - 2 - H THR 65 - HA LYS 26 lone 1 73 - 2 - H HIS 3 - HA LYS 26 lone 1 65 - 1 - H THR 65 - HA LYS 19 lone 1 53 - 1 - H HIS 3 - HA LYS 19 lone 0 47 - 0 - Peak 604 from cnoeabs.peaks (8.37, 1.75, 32.72 ppm; 2.74 A): 4 out of 15 assignments used, quality = 0.96: * H LYS 26 + HB2 LYS 26 OK 69 100 - 69 - 4.0=31, 6249/3.0=13...(17) H LYS 24 + HB2 LYS 24 OK 61 86 - 72 - 4.1=30, 6219/3.0=21...(16) H LYS 24 + HB2 LYS 26 OK 47 100 - 47 - 6220=10, 615/1.8=8...(17) H LYS 26 + HB2 LYS 24 OK 42 87 - 49 - 6250=12, 6245/4.7=9...(14) H LYS 26 - HB2 LYS 19 OK 29 90 - 32 - 6250=8, 6249/3.0=4...(11) H LYS 24 - HB2 LYS 19 OK 26 90 - 29 - 6220=6, 6223/3.0=4...(10) H GLY 14 - HB2 LYS 26 lone 3 96 - 3 - H GLY 14 - HB2 LYS 24 lone 2 79 - 3 - H GLY 14 - HB2 LYS 19 lone 2 82 - 2 - H THR 65 - HB2 LYS 26 lone 0 57 - 1 - H HIS 3 - HB2 LYS 26 lone 0 65 - 0 - H HIS 3 - HB2 LYS 24 lone 0 50 - 0 - H HIS 3 - HB2 LYS 19 lone 0 53 - 0 - H THR 65 - HB2 LYS 24 lone 0 43 - 0 - H THR 65 - HB2 LYS 19 lone 0 46 - 0 - Peak 605 from cnoeabs.peaks (4.27, 1.75, 32.72 ppm; 2.73 A): 2 out of 30 assignments used, quality = 0.98: * HA LYS 26 + HB2 LYS 26 OK 90 100 - 90 - 3.0=74, 616/1.8=12...(26) HA LYS 19 + HB2 LYS 19 OK 81 88 - 92 - 3.0=78, 241/3.0=13...(23) HA LYS 26 - HB2 LYS 24 OK 41 87 - 48 - 595=6, 2.9/6250=5...(20) HA LYS 19 - HB2 LYS 26 OK 40 99 - 40 - 616/1.8=5, 239=5...(13) HA LYS 26 - HB2 LYS 19 OK 37 90 - 41 - 241/3.0=6, 595=5...(15) HA LYS 19 - HB2 LYS 24 OK 34 85 - 40 - 239=5, 3.0/6149=4...(14) HA LYS 31 - HB2 LYS 26 OK 23 73 - 31 - 616/1.8=3, 627/3.0=3...(13) HA LYS 31 - HB2 LYS 24 OK 19 57 - 33 - 790=3, 3.0/6331=3...(13) HA LYS 31 - HB2 LYS 19 OK 18 60 - 30 - 791/1.8=2, 271/3.0=2...(13) HA LYS 36 - HB2 LYS 26 OK 12 87 - 14 - 975/1.8=2, 977/3.0=2, 627/3.0=1 HA LYS 36 - HB2 LYS 24 poor 9 69 - 14 - 977/2.9=2, 975/1.8=2 HB THR 115 - HB2 LYS 26 lone 6 92 - 7 - 11521/4.0=2, 10191/3.0=2 HA LYS 36 - HB2 LYS 19 lone 6 73 - 8 - 975/1.8=1 HB THR 115 - HB2 LYS 24 lone 5 75 - 6 - 10191/2.9=2, 11521/4.1=1 HA PHE 87 - HB2 LYS 19 lone 4 82 - 5 - HA LEU 22 - HB2 LYS 26 lone 3 73 - 4 - 3.6/6203=2 HA PHE 87 - HB2 LYS 26 lone 2 96 - 2 - HB THR 115 - HB2 LYS 19 lone 2 78 - 2 - HA LEU 22 - HB2 LYS 24 lone 1 57 - 2 - 3.6/6203=2 HA LEU 22 - HB2 LYS 19 lone 1 60 - 2 - HA PHE 87 - HB2 LYS 24 lone 1 79 - 1 - HA ALA 108 - HB2 LYS 26 lone 1 73 - 1 - HA ALA 109 - HB2 LYS 26 lone 1 73 - 1 - HA ALA 16 - HB2 LYS 26 lone 1 81 - 1 - HA ALA 108 - HB2 LYS 24 lone 0 57 - 1 - HA ALA 108 - HB2 LYS 19 lone 0 60 - 1 - HA ALA 109 - HB2 LYS 19 lone 0 60 - 1 - HA ALA 109 - HB2 LYS 24 lone 0 57 - 1 - HA ALA 16 - HB2 LYS 19 lone 0 67 - 0 - HA ALA 16 - HB2 LYS 24 lone 0 63 - 0 - Peak 606 from cnoeabs.peaks (1.75, 1.75, 32.72 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB2 LYS 26 + HB2 LYS 26 OK 100 100 - 100 HB2 LYS 19 + HB2 LYS 19 OK 90 90 - 100 HB2 LYS 24 + HB2 LYS 24 OK 82 82 - 100 Peak 607 from cnoeabs.peaks (1.82, 1.75, 32.72 ppm; 2.50 A): 3 out of 33 assignments used, quality = 1.00: * HB3 LYS 26 + HB2 LYS 26 OK 100 100 - 100 - 1.8=100 HB3 LYS 24 + HB2 LYS 24 OK 75 75 - 100 - 1.8=100 HB3 LYS 19 + HB2 LYS 19 OK 67 67 - 100 - 1.8=100 HB3 LYS 26 - HB2 LYS 24 OK 39 87 - 46 - 617=6, 3.0/628=3...(18) HB3 LYS 24 - HB2 LYS 26 OK 38 92 - 41 - 3.0/481=3, 617=3...(18) HB3 LYS 26 - HB2 LYS 19 OK 34 90 - 38 - 617=5, 3.0/628=3...(12) HB3 LYS 24 - HB2 LYS 19 OK 31 78 - 40 - 617=3, 263/3.0=3...(16) HB3 LYS 31 - HB2 LYS 26 OK 29 81 - 36 - 629/3.0=2, 261=2...(13) HB3 LYS 19 - HB2 LYS 26 OK 28 81 - 35 - 3.0/272=3, 3.9/6149=2...(17) HB3 ARG 23 - HB2 LYS 26 OK 27 96 - 29 - 436=6, 3.0/418=3, ~428=2...(13) HB3 LYS 19 - HB2 LYS 24 OK 26 63 - 41 - 3.0/272=4, 502/3.0=3...(19) HB3 LYS 31 - HB2 LYS 24 OK 25 63 - 39 - 502/3.0=2, 3.0/790=2...(13) HB3 LYS 31 - HB2 LYS 19 OK 22 67 - 33 - 263/3.0=3, 261=2...(12) HB ILE 32 - HB2 LYS 26 OK 19 100 - 19 - 2.9/10738=2, 900/3.0=2...(6) HB ILE 32 - HB2 LYS 19 OK 19 90 - 21 - ~10831=3, 900/3.0=2...(5) HB3 ARG 23 - HB2 LYS 24 OK 15 79 - 19 - 6214/4.1=3, 436=3...(8) HB2 LYS 36 - HB2 LYS 26 OK 15 99 - 15 - 988/3.0=1, ~997=1 HB2 LYS 36 - HB2 LYS 24 OK 12 85 - 15 - 988/2.9=2, ~997=1, ~999=1 HB ILE 32 - HB2 LYS 24 OK 11 86 - 13 - 2.9/10738=2, 900/2.9=1 HB2 LEU 100 - HB2 LYS 26 lone 9 98 - 10 - ~3243=1 HB3 ARG 23 - HB2 LYS 19 lone 8 82 - 9 - 436=2, 4.2/6220=1 HB3 LEU 123 - HB2 LYS 26 poor 7 73 - 10 - 3.2/10748=4, ~10756=2 HB2 LYS 36 - HB2 LYS 19 lone 7 88 - 8 - HB2 LEU 100 - HB2 LYS 24 lone 5 82 - 7 - HB3 LEU 123 - HB2 LYS 19 lone 4 59 - 7 - 3.2/10748=3 HB3 ARG 135 - HB2 LYS 26 lone 2 100 - 2 - HB3 LEU 123 - HB2 LYS 24 lone 2 56 - 3 - HB3 ARG 135 - HB2 LYS 24 lone 1 86 - 1 - HB VAL 93 - HB2 LYS 26 lone 1 65 - 2 - HB3 ARG 135 - HB2 LYS 19 lone 1 90 - 1 - HB2 LEU 100 - HB2 LYS 19 lone 1 86 - 1 - HB VAL 93 - HB2 LYS 24 lone 0 50 - 0 - HB VAL 93 - HB2 LYS 19 lone 0 53 - 0 - Peak 608 from cnoeabs.peaks (1.43, 1.75, 32.72 ppm; 2.71 A): 2 out of 12 assignments used, quality = 0.96: * HG2 LYS 26 + HB2 LYS 26 OK 92 100 - 92 - 3.0=76, 619/1.8=14...(25) HG2 LYS 26 + HB2 LYS 24 OK 48 87 - 56 - 628=9, 629/1.8=5...(19) HG2 LYS 26 - HB2 LYS 19 OK 40 90 - 44 - 628=7, 627/3.0=4...(13) HG2 LYS 31 - HB2 LYS 26 OK 28 65 - 43 - 619/1.8=4, 641/3.0=3...(16) HG13 ILE 32 - HB2 LYS 26 OK 22 87 - 25 - 619/1.8=4, 1.8/10738=3...(10) HG2 LYS 31 - HB2 LYS 24 OK 20 50 - 39 - 1.8/834=3, ~835=3...(11) HG2 LYS 31 - HB2 LYS 19 OK 18 53 - 33 - ~835=2, 1.8/834=2...(11) HG13 ILE 32 - HB2 LYS 19 OK 14 73 - 19 - 1.8/10738=2, 921/1.8=2...(7) QB ALA 92 - HB2 LYS 26 OK 11 98 - 11 - 11317=3, 619/1.8=1, 6264/4.5=1 HG13 ILE 32 - HB2 LYS 24 poor 9 69 - 13 - 1.8/10738=2, 921/1.8=2...(4) QB ALA 92 - HB2 LYS 19 lone 3 86 - 4 - 11317=1 QB ALA 92 - HB2 LYS 24 lone 2 82 - 2 - Peak 609 from cnoeabs.peaks (1.38, 1.75, 32.72 ppm; 2.68 A): 4 out of 45 assignments used, quality = 0.99: * HG3 LYS 26 + HB2 LYS 26 OK 90 100 - 90 - 3.0=73, 1.8/628=10...(23) HG2 LYS 24 + HB2 LYS 24 OK 76 85 - 90 - 2.9=76, 513/3.0=10...(19) HG2 LYS 24 + HB2 LYS 26 OK 48 99 - 49 - 631/3.0=5, 620/1.8=5...(18) HG3 LYS 26 + HB2 LYS 24 OK 47 87 - 54 - 483/3.0=6, 1.8/628=6...(17) HG2 LYS 24 - HB2 LYS 19 OK 39 88 - 44 - 514=4, 517/3.0=4...(19) HG3 LYS 26 - HB2 LYS 19 OK 37 90 - 41 - 1.8/628=5, 639=4...(12) HG3 LYS 31 - HB2 LYS 26 OK 27 65 - 41 - 1.8/608=3, 631/3.0=3...(16) HG3 LYS 31 - HB2 LYS 24 OK 20 50 - 40 - 1.8/823=3, ~824=3...(13) HG2 LYS 36 - HB2 LYS 26 OK 18 100 - 19 - 1008/1.8=3...(5) HG3 LYS 31 - HB2 LYS 19 OK 17 53 - 33 - 1.8/823=3, ~824=2...(12) HG2 LYS 36 - HB2 LYS 24 OK 17 86 - 19 - 1008/1.8=3, 527/2.9=2...(6) HB3 LEU 100 - HB2 LYS 26 OK 11 99 - 12 - 3243/1.8=2 HG2 LYS 36 - HB2 LYS 19 OK 11 90 - 12 - 1008/1.8=1, 10900/10748=1 HB3 LEU 100 - HB2 LYS 24 lone 7 85 - 8 - 3243/1.8=1 QB ALA 28 - HB2 LYS 26 lone 5 99 - 5 - 6265/4.5=2 HG3 LYS 95 - HB2 LYS 26 lone 4 96 - 4 - HG2 LYS 95 - HB2 LYS 26 lone 4 87 - 4 - QB ALA 29 - HB2 LYS 26 lone 3 100 - 3 - HG3 LYS 95 - HB2 LYS 24 lone 3 79 - 4 - HG2 LYS 95 - HB2 LYS 24 lone 3 69 - 4 - QB ALA 15 - HB2 LYS 24 lone 3 86 - 3 - QB ALA 29 - HB2 LYS 24 lone 2 86 - 3 - HB2 LEU 96 - HB2 LYS 26 lone 2 100 - 2 - QB ALA 15 - HB2 LYS 26 lone 2 100 - 2 - QB ALA 28 - HB2 LYS 24 lone 2 85 - 2 - QB ALA 29 - HB2 LYS 19 lone 2 90 - 2 - HB2 LEU 96 - HB2 LYS 24 lone 2 86 - 2 - HB2 LEU 42 - HB2 LYS 26 lone 1 98 - 1 - HB2 LEU 42 - HB2 LYS 24 lone 1 82 - 2 - QB ALA 15 - HB2 LYS 19 lone 1 90 - 1 - QB ALA 108 - HB2 LYS 26 lone 1 98 - 1 - HG3 LYS 95 - HB2 LYS 19 lone 1 82 - 1 - QB ALA 28 - HB2 LYS 19 lone 1 88 - 1 - HB3 LEU 100 - HB2 LYS 19 lone 1 88 - 1 - HG2 LYS 95 - HB2 LYS 19 lone 1 73 - 1 - QB ALA 110 - HB2 LYS 26 lone 1 100 - 1 - QB ALA 108 - HB2 LYS 24 lone 1 82 - 1 - QB ALA 110 - HB2 LYS 24 lone 1 86 - 1 - QB ALA 109 - HB2 LYS 26 lone 1 81 - 1 - QB ALA 108 - HB2 LYS 19 lone 1 86 - 1 - QB ALA 110 - HB2 LYS 19 lone 1 90 - 1 - HB2 LEU 96 - HB2 LYS 19 lone 1 90 - 1 - QB ALA 109 - HB2 LYS 24 lone 0 63 - 1 - HB2 LEU 42 - HB2 LYS 19 lone 0 86 - 0 - QB ALA 109 - HB2 LYS 19 lone 0 67 - 0 - Peak 610 from cnoeabs.peaks (1.66, 1.75, 32.72 ppm; 2.92 A): 12 out of 39 assignments used, quality = 1.00: * HD2 LYS 26 + HB2 LYS 26 OK 87 100 - 87 - 3.5=57, 2.9/628=8...(39) HD3 LYS 26 + HB2 LYS 26 OK 86 99 - 86 - 3.5=57, 2.9/628=8...(39) HD3 LYS 24 + HB2 LYS 24 OK 74 87 - 86 - 3.5=56, 3.0/283=4...(48) HD2 LYS 24 + HB2 LYS 24 OK 74 86 - 86 - 3.5=56, 3.0/283=4...(47) HD2 LYS 31 + HB2 LYS 26 OK 57 100 - 58 - 621/1.8=3, 632/3.0=3...(18) HD3 LYS 31 + HB2 LYS 26 OK 57 100 - 57 - 621/1.8=3, 632/3.0=3...(18) HD2 LYS 24 + HB2 LYS 26 OK 50 100 - 50 - 621/1.8=3, 632/3.0=3...(21) HD3 LYS 24 + HB2 LYS 26 OK 50 100 - 50 - 621/1.8=3, 632/3.0=3...(21) HD3 LYS 31 + HB2 LYS 24 OK 49 87 - 56 - 2.9/823=3, 2.9/834=3...(19) HD2 LYS 31 + HB2 LYS 24 OK 48 86 - 56 - 2.9/823=3, 2.9/834=3...(19) HD2 LYS 26 + HB2 LYS 24 OK 47 87 - 54 - 2.9/628=5, 2.9/639=3...(25) HD3 LYS 26 + HB2 LYS 24 OK 45 85 - 53 - 2.9/628=5, 2.9/639=3...(25) HD3 LYS 31 - HB2 LYS 19 OK 40 90 - 45 - 2.9/823=2, 2.9/834=2...(12) HD3 LYS 24 - HB2 LYS 19 OK 40 90 - 44 - 3.0/514=2, 3.0/283=2...(16) HD2 LYS 31 - HB2 LYS 19 OK 40 90 - 44 - 2.9/823=2, 2.9/834=2...(13) HD2 LYS 24 - HB2 LYS 19 OK 39 90 - 44 - 3.0/514=2, 3.0/283=2...(17) HD2 LYS 26 - HB2 LYS 19 OK 37 90 - 41 - 2.9/628=4, 2.9/639=3...(12) HD3 LYS 26 - HB2 LYS 19 OK 34 88 - 38 - 2.9/628=4, 2.9/639=3...(12) HD3 LYS 95 - HB2 LYS 26 lone 4 100 - 4 - HD2 LYS 86 - HB2 LYS 24 lone 4 86 - 5 - HD3 LYS 86 - HB2 LYS 24 lone 4 86 - 5 - HD2 LYS 95 - HB2 LYS 26 lone 4 87 - 4 - HD3 LYS 86 - HB2 LYS 26 lone 4 100 - 3 - HD2 LYS 86 - HB2 LYS 26 lone 4 100 - 3 - HD3 LYS 95 - HB2 LYS 24 lone 3 86 - 4 - HD2 LYS 86 - HB2 LYS 19 lone 3 90 - 3 - HD3 LYS 86 - HB2 LYS 19 lone 3 90 - 3 - HB2 LEU 69 - HB2 LYS 24 lone 3 50 - 5 - HD2 LYS 95 - HB2 LYS 24 lone 2 69 - 3 - HD3 LYS 95 - HB2 LYS 19 lone 1 90 - 1 - QB ALA 88 - HB2 LYS 26 lone 1 100 - 1 - HB2 LEU 98 - HB2 LYS 26 lone 1 73 - 2 - HB2 LEU 98 - HB2 LYS 19 lone 1 60 - 2 - 3.1/10701=1 HD2 LYS 95 - HB2 LYS 19 lone 1 73 - 1 - QB ALA 88 - HB2 LYS 19 lone 1 90 - 1 - QB ALA 88 - HB2 LYS 24 lone 1 86 - 1 - HB2 LEU 98 - HB2 LYS 24 lone 1 57 - 1 - HB2 LEU 69 - HB2 LYS 26 lone 0 65 - 1 - HB2 LEU 69 - HB2 LYS 19 lone 0 53 - 1 - Peak 611 from cnoeabs.peaks (1.66, 1.75, 32.72 ppm; 2.92 A): 14 out of 45 assignments used, quality = 1.00: * HD3 LYS 26 + HB2 LYS 26 OK 86 100 - 86 - 3.5=57, 2.9/628=8...(39) HD2 LYS 26 + HB2 LYS 26 OK 86 99 - 87 - 3.5=57, 2.9/628=8...(39) HD3 LYS 24 + HB2 LYS 24 OK 73 85 - 86 - 3.5=56, 3.0/283=4...(48) HD2 LYS 24 + HB2 LYS 24 OK 71 82 - 86 - 3.5=56, 3.0/283=4...(47) HD3 LYS 31 + HB2 LYS 26 OK 57 99 - 57 - 621/1.8=3, 632/3.0=3...(18) HD2 LYS 31 + HB2 LYS 26 OK 56 98 - 57 - 621/1.8=3, 632/3.0=3...(18) HD3 LYS 24 + HB2 LYS 26 OK 50 99 - 50 - 621/1.8=3, 3.0/514=3...(21) HD2 LYS 24 + HB2 LYS 26 OK 49 98 - 50 - 621/1.8=3, 3.0/514=3...(21) HD3 LYS 31 + HB2 LYS 24 OK 47 85 - 56 - 2.9/823=3, 2.9/834=3...(19) HD2 LYS 31 + HB2 LYS 24 OK 46 82 - 56 - 2.9/823=3, 2.9/834=3...(19) HD3 LYS 19 + HB2 LYS 19 OK 46 53 - 87 - 3.9=41, 3.0/252=10...(42) HD2 LYS 19 + HB2 LYS 19 OK 46 53 - 87 - 3.9=41, 3.0/252=10...(42) HD3 LYS 26 + HB2 LYS 24 OK 46 87 - 53 - 2.9/628=5, 2.9/639=3...(25) HD2 LYS 26 + HB2 LYS 24 OK 46 85 - 54 - 2.9/628=5, 2.9/639=3...(25) HD3 LYS 31 - HB2 LYS 19 OK 39 88 - 45 - 2.9/823=2, 2.9/834=2...(12) HD3 LYS 24 - HB2 LYS 19 OK 39 88 - 44 - 3.0/514=2, 3.0/283=2...(16) HD2 LYS 31 - HB2 LYS 19 OK 38 86 - 44 - 2.9/823=2, 2.9/834=2...(13) HD2 LYS 24 - HB2 LYS 19 OK 38 86 - 44 - 3.0/514=2, 3.0/283=2...(17) HD2 LYS 26 - HB2 LYS 19 OK 36 88 - 41 - 2.9/628=4, 2.9/639=3...(12) HD3 LYS 26 - HB2 LYS 19 OK 35 90 - 39 - 2.9/628=4, 2.9/639=3...(12) HD3 LYS 19 - HB2 LYS 26 OK 27 65 - 42 - 3.0/272=4, 1.8/305=3...(18) HD2 LYS 19 - HB2 LYS 26 OK 27 65 - 42 - 3.0/272=4, 1.8/305=3...(18) HD2 LYS 19 - HB2 LYS 24 OK 25 50 - 51 - 3.0/272=5, 1.8/305=4...(24) HD3 LYS 19 - HB2 LYS 24 OK 25 50 - 51 - 3.0/272=5, 1.8/305=4...(24) HB2 LEU 123 - HB2 LYS 26 OK 10 73 - 14 - 3.2/10748=6, ~10756=3, ~11421=1 HB2 LEU 123 - HB2 LYS 19 lone 5 60 - 8 - 3.2/10748=4 HD3 LYS 95 - HB2 LYS 26 lone 4 100 - 4 - HD3 LYS 86 - HB2 LYS 24 lone 4 86 - 5 - HD2 LYS 86 - HB2 LYS 24 lone 4 86 - 5 - HD2 LYS 95 - HB2 LYS 26 lone 4 96 - 4 - HD3 LYS 86 - HB2 LYS 26 lone 4 100 - 3 - HD2 LYS 86 - HB2 LYS 26 lone 4 100 - 3 - HD3 LYS 95 - HB2 LYS 24 lone 3 86 - 4 - HD3 LYS 86 - HB2 LYS 19 lone 3 90 - 3 - HD2 LYS 86 - HB2 LYS 19 lone 3 90 - 3 - HD2 LYS 95 - HB2 LYS 24 lone 3 79 - 3 - HB2 LEU 123 - HB2 LYS 24 lone 2 57 - 4 - 3.2/10748=1 HB2 LEU 98 - HB2 LYS 26 lone 2 87 - 2 - HB2 LEU 98 - HB2 LYS 19 lone 2 73 - 2 - 3.1/10701=1 HD3 LYS 95 - HB2 LYS 19 lone 1 90 - 1 - QB ALA 88 - HB2 LYS 26 lone 1 98 - 1 - HD2 LYS 95 - HB2 LYS 19 lone 1 82 - 1 - QB ALA 88 - HB2 LYS 19 lone 1 86 - 1 - HB2 LEU 98 - HB2 LYS 24 lone 1 69 - 1 - QB ALA 88 - HB2 LYS 24 lone 1 82 - 1 - Peak 612 from cnoeabs.peaks (2.97, 1.75, 32.72 ppm; 3.96 A): 16 out of 33 assignments used, quality = 1.00: * HE2 LYS 26 + HB2 LYS 26 OK 91 100 - 91 - 4.8=56, 3.6/628=11...(62) HE3 LYS 26 + HB2 LYS 26 OK 91 100 - 91 - 4.8=56, 3.6/628=11...(62) HE3 LYS 19 + HB2 LYS 19 OK 79 86 - 93 - 5.1=47, 329/3.0=14...(50) HE3 LYS 31 + HB2 LYS 26 OK 66 100 - 66 - 634/3.0=5, 624/1.8=4...(37) HE2 LYS 31 + HB2 LYS 26 OK 63 98 - 64 - 634/3.0=4, 3.7/834=4...(37) HE3 LYS 24 + HB2 LYS 24 OK 59 69 - 85 - 5.1=48, 1.8/558=7...(55) HE3 LYS 31 + HB2 LYS 24 OK 52 87 - 60 - 3.7/823=5, 3.7/834=5...(37) HE2 LYS 26 + HB2 LYS 24 OK 51 87 - 59 - 3.6/628=7, 3.6/639=4...(34) HE3 LYS 26 + HB2 LYS 24 OK 51 87 - 59 - 3.6/628=7, 3.6/639=4...(34) HE3 LYS 19 + HB2 LYS 26 OK 50 98 - 51 - 3.8/272=6, 2.9/305=4...(29) HE3 LYS 26 + HB2 LYS 19 OK 49 90 - 55 - 3.6/628=6, 329/3.0=4...(27) HE2 LYS 26 + HB2 LYS 19 OK 49 90 - 55 - 3.6/628=6, 329/3.0=4...(27) HE2 LYS 19 + HB2 LYS 19 OK 49 53 - 92 - 5.1=47, 3.8/252=13...(53) HE3 LYS 19 + HB2 LYS 24 OK 49 82 - 59 - 3.8/272=7, 2.9/305=4...(36) HE3 LYS 31 + HB2 LYS 19 OK 47 90 - 52 - 329/3.0=4, 3.7/823=3...(15) HE2 LYS 31 + HB2 LYS 24 OK 46 82 - 56 - 3.7/823=5, 3.7/834=5...(36) HE3 LYS 24 - HB2 LYS 26 OK 43 87 - 50 - 1.8/558=4, 4.0/514=4...(25) HE2 LYS 31 - HB2 LYS 19 OK 43 86 - 50 - 329/3.0=5, 3.7/823=3...(20) HE3 LYS 24 - HB2 LYS 19 OK 38 73 - 53 - 329/3.0=5, ~318=4...(26) HE2 LYS 19 - HB2 LYS 26 OK 34 65 - 52 - 3.8/272=6, 2.9/305=4...(26) HE2 LYS 19 - HB2 LYS 24 OK 29 50 - 57 - 3.8/272=7, 2.9/305=4...(35) HE3 LYS 36 - HB2 LYS 24 OK 21 69 - 31 - 1.8/558=2, ~520=2...(12) HE3 LYS 36 - HB2 LYS 19 OK 21 73 - 28 - ~318=2, 329/3.0=2...(5) HE3 LYS 36 - HB2 LYS 26 OK 20 87 - 23 - 1.8/558=1, 624/1.8=1...(7) HE2 LYS 36 - HB2 LYS 19 OK 13 46 - 27 - ~318=2, 318/3.0=2...(6) HE2 LYS 36 - HB2 LYS 26 OK 13 57 - 22 - 4.0/609=1, ~1041=1, ~1030=1 HE2 LYS 36 - HB2 LYS 24 OK 12 43 - 29 - ~520=1, 1.8/316=1...(7) HE3 LYS 86 - HB2 LYS 26 lone 2 73 - 3 - HE3 LYS 86 - HB2 LYS 24 lone 2 57 - 4 - HE3 LYS 86 - HB2 LYS 19 lone 2 60 - 4 - HB3 ASN 121 - HB2 LYS 19 lone 1 67 - 1 - HB3 ASN 121 - HB2 LYS 24 lone 1 63 - 1 - HB3 ASN 121 - HB2 LYS 26 lone 1 81 - 1 - Peak 613 from cnoeabs.peaks (2.97, 1.75, 32.72 ppm; 3.96 A): 16 out of 33 assignments used, quality = 1.00: HE2 LYS 26 + HB2 LYS 26 OK 91 100 - 91 - 4.8=56, 3.6/628=11...(62) * HE3 LYS 26 + HB2 LYS 26 OK 91 100 - 91 - 4.8=56, 3.6/628=11...(62) HE3 LYS 19 + HB2 LYS 19 OK 79 86 - 93 - 5.1=47, 329/3.0=14...(50) HE3 LYS 31 + HB2 LYS 26 OK 66 100 - 66 - 634/3.0=5, 624/1.8=4...(37) HE2 LYS 31 + HB2 LYS 26 OK 63 98 - 64 - 634/3.0=4, 3.7/834=4...(37) HE3 LYS 24 + HB2 LYS 24 OK 59 69 - 85 - 5.1=48, 1.8/558=7...(55) HE3 LYS 31 + HB2 LYS 24 OK 52 87 - 60 - 3.7/823=5, 3.7/834=5...(37) HE2 LYS 26 + HB2 LYS 24 OK 51 87 - 59 - 3.6/628=7, 3.6/639=4...(34) HE3 LYS 26 + HB2 LYS 24 OK 51 87 - 59 - 3.6/628=7, 3.6/639=4...(34) HE3 LYS 19 + HB2 LYS 26 OK 50 98 - 51 - 3.8/272=6, 2.9/305=4...(29) HE3 LYS 26 + HB2 LYS 19 OK 49 90 - 55 - 3.6/628=6, 329/3.0=4...(27) HE2 LYS 26 + HB2 LYS 19 OK 49 90 - 55 - 3.6/628=6, 329/3.0=4...(27) HE2 LYS 19 + HB2 LYS 19 OK 49 53 - 92 - 5.1=47, 3.8/252=13...(53) HE3 LYS 19 + HB2 LYS 24 OK 49 82 - 59 - 3.8/272=7, 2.9/305=4...(36) HE3 LYS 31 + HB2 LYS 19 OK 47 90 - 52 - 329/3.0=4, 3.7/823=3...(15) HE2 LYS 31 + HB2 LYS 24 OK 46 82 - 56 - 3.7/823=5, 3.7/834=5...(36) HE3 LYS 24 - HB2 LYS 26 OK 43 87 - 50 - 1.8/558=4, 4.0/514=4...(25) HE2 LYS 31 - HB2 LYS 19 OK 43 86 - 50 - 329/3.0=5, 3.7/823=3...(20) HE3 LYS 24 - HB2 LYS 19 OK 38 73 - 53 - 329/3.0=5, ~318=4...(26) HE2 LYS 19 - HB2 LYS 26 OK 34 65 - 52 - 3.8/272=6, 2.9/305=4...(26) HE2 LYS 19 - HB2 LYS 24 OK 29 50 - 57 - 3.8/272=7, 2.9/305=4...(35) HE3 LYS 36 - HB2 LYS 24 OK 21 69 - 31 - 1.8/558=2, ~520=2...(12) HE3 LYS 36 - HB2 LYS 19 OK 21 73 - 28 - ~318=2, 329/3.0=2...(5) HE3 LYS 36 - HB2 LYS 26 OK 20 87 - 23 - 1.8/558=1, 624/1.8=1...(7) HE2 LYS 36 - HB2 LYS 19 OK 13 46 - 27 - ~318=2, 318/3.0=2...(6) HE2 LYS 36 - HB2 LYS 26 OK 13 57 - 22 - 4.0/609=1, ~1041=1, ~1030=1 HE2 LYS 36 - HB2 LYS 24 OK 12 43 - 29 - ~520=1, 1.8/316=1...(7) HE3 LYS 86 - HB2 LYS 26 lone 2 73 - 3 - HE3 LYS 86 - HB2 LYS 24 lone 2 57 - 4 - HE3 LYS 86 - HB2 LYS 19 lone 2 60 - 4 - HB3 ASN 121 - HB2 LYS 19 lone 1 67 - 1 - HB3 ASN 121 - HB2 LYS 24 lone 1 63 - 1 - HB3 ASN 121 - HB2 LYS 26 lone 1 81 - 1 - Peak 614 from cnoeabs.peaks (8.39, 1.75, 32.72 ppm; 2.74 A): 4 out of 12 assignments used, quality = 0.81: * H GLN 27 + HB2 LYS 26 OK 66 100 - 66 - 4.5=23, 625/1.8=20...(9) H GLN 27 + HB2 LYS 24 OK 22 87 - 25 - 6262=6, 625/1.8=4...(11) H GLN 27 + HB2 LYS 19 OK 16 90 - 18 - 6262=5, 6261/3.0=4...(7) H ASP 35 + HB2 LYS 26 OK 15 99 - 15 - 625/1.8=6, 636/3.0=3...(5) H ASP 35 - HB2 LYS 24 lone 2 85 - 3 - H THR 65 - HB2 LYS 26 lone 2 73 - 2 - H ASP 35 - HB2 LYS 19 lone 2 88 - 2 - H HIS 3 - HB2 LYS 26 lone 1 65 - 1 - H THR 65 - HB2 LYS 24 lone 0 57 - 1 - H THR 65 - HB2 LYS 19 lone 0 60 - 0 - H HIS 3 - HB2 LYS 24 lone 0 50 - 0 - H HIS 3 - HB2 LYS 19 lone 0 53 - 0 - Peak 615 from cnoeabs.peaks (8.37, 1.82, 32.72 ppm; 2.82 A): 4 out of 10 assignments used, quality = 0.94: * H LYS 26 + HB3 LYS 26 OK 72 100 - 72 - 4.0=34, 6249/3.0=14...(17) H LYS 24 + HB3 LYS 26 OK 49 100 - 49 - 6214=10, 6213/1.8=7...(19) H LYS 24 + HB3 LYS 24 OK 42 57 - 73 - 4.1=33, 6219/3.0=23...(15) H LYS 26 + HB3 LYS 24 OK 28 57 - 49 - 6245/4.7=10, 6251=9...(12) H GLY 14 - HB3 LYS 26 lone 3 96 - 3 - H GLY 14 - HB3 LYS 24 lone 1 51 - 3 - H THR 65 - HB3 LYS 26 lone 0 57 - 1 - H HIS 3 - HB3 LYS 26 lone 0 65 - 0 - H HIS 3 - HB3 LYS 24 lone 0 30 - 0 - H THR 65 - HB3 LYS 24 lone 0 26 - 0 - Peak 616 from cnoeabs.peaks (4.27, 1.82, 32.72 ppm; 2.61 A): 3 out of 20 assignments used, quality = 0.92: * HA LYS 26 + HB3 LYS 26 OK 85 100 - 85 - 3.0=65, 3.6/625=9...(22) HA LYS 19 + HB3 LYS 26 OK 34 99 - 35 - 627/3.0=4, 596=3...(11) HA LYS 26 + HB3 LYS 24 OK 23 57 - 41 - 596=4, 2.9/6251=4...(19) HA LYS 31 - HB3 LYS 26 OK 21 73 - 29 - 627/3.0=3, 790/1.8=2...(11) HA LYS 19 - HB3 LYS 24 OK 18 55 - 33 - 239/1.8=3, 240=3...(12) HA LYS 36 - HB3 LYS 26 OK 16 87 - 18 - 975=3, 3.0/6392=2...(7) HA LYS 31 - HB3 LYS 24 OK 10 35 - 29 - 790/1.8=3, 791=3...(10) HA LYS 36 - HB3 LYS 24 poor 8 43 - 18 - 975=3, 977/2.9=2...(6) HB THR 115 - HB3 LYS 26 lone 6 92 - 6 - 11521/4.0=2, 10191/3.0=1 HA LEU 22 - HB3 LYS 26 lone 3 73 - 4 - 3.6/6204=2 HB THR 115 - HB3 LYS 24 lone 3 47 - 6 - 10191/2.9=2, 11521/4.1=1 HA PHE 87 - HB3 LYS 26 lone 2 96 - 2 - HA ALA 108 - HB3 LYS 26 lone 1 73 - 1 - HA ALA 16 - HB3 LYS 26 lone 1 81 - 1 - HA ALA 109 - HB3 LYS 26 lone 1 73 - 1 - HA LEU 22 - HB3 LYS 24 lone 1 35 - 2 - 3.6/6204=1 HA PHE 87 - HB3 LYS 24 lone 0 51 - 1 - HA ALA 108 - HB3 LYS 24 lone 0 35 - 1 - HA ALA 109 - HB3 LYS 24 lone 0 35 - 1 - HA ALA 16 - HB3 LYS 24 lone 0 39 - 0 - Peak 617 from cnoeabs.peaks (1.75, 1.82, 32.72 ppm; 2.50 A): 2 out of 12 assignments used, quality = 1.00: * HB2 LYS 26 + HB3 LYS 26 OK 100 100 - 100 - 1.8=100 HB2 LYS 24 + HB3 LYS 24 OK 53 53 - 100 - 1.8=100 HB2 LYS 24 - HB3 LYS 26 OK 42 98 - 43 - 628/3.0=3, 607=3...(18) HB2 LYS 19 - HB3 LYS 26 OK 36 100 - 36 - 628/3.0=3, 3.0/616=3...(12) HB2 LYS 31 - HB3 LYS 26 OK 31 81 - 39 - 628/3.0=3, 3.0/619=2...(13) HB2 ARG 23 - HB3 LYS 26 OK 27 92 - 30 - 428=6, 3.0/419=3...(12) HB2 LYS 26 - HB3 LYS 24 OK 24 57 - 42 - 491/3.0=4, 3.0/629=3...(17) HB2 LYS 19 - HB3 LYS 24 OK 22 57 - 39 - 481/3.0=2, 3.0/273=2...(16) HB2 LYS 31 - HB3 LYS 24 OK 16 39 - 41 - 481/3.0=3, 802=2...(14) HB2 ARG 23 - HB3 LYS 24 poor 9 47 - 19 - 6213/4.1=3, 428=3...(7) HG13 ILE 129 - HB3 LYS 26 lone 7 87 - 8 - ~10483=1, ~10491=1...(4) HG13 ILE 129 - HB3 LYS 24 lone 1 43 - 2 - Peak 618 from cnoeabs.peaks (1.82, 1.82, 32.72 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 26 + HB3 LYS 26 OK 100 100 - 100 HB3 LYS 24 + HB3 LYS 24 OK 47 47 - 100 Peak 619 from cnoeabs.peaks (1.43, 1.82, 32.72 ppm; 2.68 A): 3 out of 8 assignments used, quality = 0.95: * HG2 LYS 26 + HB3 LYS 26 OK 90 100 - 90 - 3.0=73, 628/1.8=10...(22) HG2 LYS 26 + HB3 LYS 24 OK 31 57 - 54 - 629=7, 628/1.8=6...(20) HG2 LYS 31 + HB3 LYS 26 OK 28 65 - 43 - 608/1.8=3, 641/3.0=3...(16) HG13 ILE 32 - HB3 LYS 26 OK 26 87 - 30 - 921=3, 2.1/929=3...(13) HG2 LYS 31 - HB3 LYS 24 OK 12 30 - 39 - 1.8/835=3, ~834=3...(11) QB ALA 92 - HB3 LYS 26 lone 9 98 - 9 - 11317/1.8=3, 6264/4.5=1 HG13 ILE 32 - HB3 LYS 24 poor 7 43 - 16 - ~10738=2, 1.8/913=2...(5) QB ALA 92 - HB3 LYS 24 lone 1 53 - 2 - Peak 620 from cnoeabs.peaks (1.38, 1.82, 32.72 ppm; 2.60 A): 3 out of 30 assignments used, quality = 0.96: * HG3 LYS 26 + HB3 LYS 26 OK 87 100 - 87 - 3.0=67, 1.8/619=13...(17) HG2 LYS 24 + HB3 LYS 24 OK 48 55 - 86 - 2.9=69, 513/3.0=9...(19) HG2 LYS 24 + HB3 LYS 26 OK 47 99 - 47 - 631/3.0=4, 515=3...(21) HG3 LYS 26 - HB3 LYS 24 OK 28 57 - 50 - 483/3.0=6, 1.8/619=5...(17) HG3 LYS 31 - HB3 LYS 26 OK 27 65 - 42 - 1.8/619=4, 631/3.0=3...(16) HG2 LYS 36 - HB3 LYS 26 OK 20 100 - 21 - 1008=3, 1.8/1019=2...(7) HB3 LEU 100 - HB3 LYS 26 OK 14 99 - 15 - 3243=2, 3.2/3267=1...(5) HG2 LYS 36 - HB3 LYS 24 OK 12 57 - 22 - 1008=3, 1.8/1019=2...(9) HG3 LYS 31 - HB3 LYS 24 OK 11 30 - 38 - ~823=3, 1.8/824=3...(12) HB3 LEU 100 - HB3 LYS 24 lone 5 55 - 10 - 3243=1 QB ALA 28 - HB3 LYS 26 lone 5 99 - 5 - 6265/4.5=2 HG3 LYS 95 - HB3 LYS 26 lone 4 96 - 4 - HG2 LYS 95 - HB3 LYS 26 lone 4 87 - 4 - QB ALA 29 - HB3 LYS 26 lone 3 100 - 3 - HB2 LEU 96 - HB3 LYS 26 lone 3 100 - 3 - HG3 LYS 95 - HB3 LYS 24 lone 2 51 - 3 - QB ALA 15 - HB3 LYS 26 lone 2 100 - 2 - QB ALA 108 - HB3 LYS 26 lone 2 98 - 2 - QB ALA 29 - HB3 LYS 24 lone 2 57 - 3 - QB ALA 15 - HB3 LYS 24 lone 2 57 - 3 - HG2 LYS 95 - HB3 LYS 24 lone 2 43 - 3 - HB2 LEU 42 - HB3 LYS 26 lone 1 98 - 1 - QB ALA 110 - HB3 LYS 26 lone 1 100 - 1 - HB2 LEU 96 - HB3 LYS 24 lone 1 57 - 2 - QB ALA 28 - HB3 LYS 24 lone 1 55 - 2 - HB2 LEU 42 - HB3 LYS 24 lone 1 53 - 2 - QB ALA 109 - HB3 LYS 26 lone 1 81 - 1 - QB ALA 108 - HB3 LYS 24 lone 1 53 - 1 - QB ALA 110 - HB3 LYS 24 lone 1 57 - 1 - QB ALA 109 - HB3 LYS 24 lone 0 39 - 1 - Peak 621 from cnoeabs.peaks (1.66, 1.82, 32.72 ppm; 2.67 A): 4 out of 26 assignments used, quality = 0.99: * HD2 LYS 26 + HB3 LYS 26 OK 78 100 - 78 - 3.5=44, 2.9/619=10...(32) HD3 LYS 26 + HB3 LYS 26 OK 77 99 - 78 - 3.5=44, 2.9/619=10...(30) HD2 LYS 31 + HB3 LYS 26 OK 50 100 - 50 - 2.9/619=3, 632/3.0=3...(16) HD3 LYS 31 + HB3 LYS 26 OK 50 100 - 50 - 2.9/619=3, 632/3.0=3...(16) HD2 LYS 24 - HB3 LYS 26 OK 43 100 - 44 - 3.0/620=3, 632/3.0=2...(12) HD3 LYS 24 - HB3 LYS 26 OK 43 100 - 43 - 3.0/620=3, 632/3.0=2...(11) HD3 LYS 24 - HB3 LYS 24 OK 43 57 - 76 - 3.5=43, 486/3.0=3...(35) HD2 LYS 24 - HB3 LYS 24 OK 43 57 - 76 - 3.5=43, 486/3.0=3...(35) HD3 LYS 31 - HB3 LYS 24 OK 27 57 - 48 - 486/3.0=2, 2.9/835=2...(16) HD2 LYS 31 - HB3 LYS 24 OK 27 57 - 48 - 486/3.0=2, 2.9/835=2...(16) HD2 LYS 26 - HB3 LYS 24 OK 26 57 - 46 - 2.9/629=3, 486/3.0=2...(19) HD3 LYS 26 - HB3 LYS 24 OK 25 55 - 45 - 2.9/629=3, 486/3.0=2...(20) HD3 LYS 95 - HB3 LYS 26 lone 4 100 - 4 - HD2 LYS 86 - HB3 LYS 26 lone 3 100 - 3 - HD3 LYS 86 - HB3 LYS 26 lone 3 100 - 3 - HD2 LYS 95 - HB3 LYS 26 lone 3 87 - 3 - HD3 LYS 86 - HB3 LYS 24 lone 2 57 - 4 - HD2 LYS 86 - HB3 LYS 24 lone 2 57 - 4 - HD3 LYS 95 - HB3 LYS 24 lone 2 57 - 3 - HD2 LYS 95 - HB3 LYS 24 lone 1 43 - 3 - QB ALA 88 - HB3 LYS 26 lone 1 100 - 1 - HB2 LEU 69 - HB3 LYS 24 lone 1 30 - 4 - HB2 LEU 98 - HB3 LYS 26 lone 1 73 - 1 - QB ALA 88 - HB3 LYS 24 lone 0 57 - 1 - HB2 LEU 69 - HB3 LYS 26 lone 0 65 - 1 - HB2 LEU 98 - HB3 LYS 24 lone 0 35 - 1 - Peak 622 from cnoeabs.peaks (1.66, 1.82, 32.72 ppm; 2.67 A): 4 out of 30 assignments used, quality = 0.99: HD2 LYS 26 + HB3 LYS 26 OK 78 99 - 78 - 3.5=44, 2.9/619=10...(32) * HD3 LYS 26 + HB3 LYS 26 OK 78 100 - 78 - 3.5=44, 2.9/619=10...(30) HD3 LYS 31 + HB3 LYS 26 OK 50 99 - 50 - 2.9/619=3, 632/3.0=3...(16) HD2 LYS 31 + HB3 LYS 26 OK 49 98 - 50 - 2.9/619=3, 632/3.0=3...(16) HD3 LYS 24 - HB3 LYS 26 OK 43 99 - 43 - 3.0/620=3, 632/3.0=2...(11) HD2 LYS 24 - HB3 LYS 26 OK 42 98 - 43 - 3.0/620=3, 632/3.0=2...(12) HD3 LYS 24 - HB3 LYS 24 OK 42 55 - 76 - 3.5=43, 486/3.0=3...(35) HD2 LYS 24 - HB3 LYS 24 OK 40 53 - 76 - 3.5=43, 486/3.0=3...(35) HD3 LYS 31 - HB3 LYS 24 OK 27 55 - 48 - 486/3.0=2, 2.9/835=2...(16) HD2 LYS 31 - HB3 LYS 24 OK 26 53 - 48 - 486/3.0=2, 2.9/835=2...(16) HD3 LYS 26 - HB3 LYS 24 OK 25 57 - 45 - 2.9/629=3, 486/3.0=2...(20) HD2 LYS 26 - HB3 LYS 24 OK 25 55 - 46 - 2.9/629=3, 486/3.0=2...(19) HD2 LYS 19 - HB3 LYS 26 OK 24 65 - 36 - ~252=2, ~272=2...(17) HD3 LYS 19 - HB3 LYS 26 OK 24 65 - 36 - ~252=2, ~272=2...(17) HD2 LYS 19 - HB3 LYS 24 OK 12 30 - 41 - 3.0/273=3, 1.8/306=2...(20) HD3 LYS 19 - HB3 LYS 24 OK 12 30 - 41 - 3.0/273=3, 1.8/306=2...(20) HB2 LEU 123 - HB3 LYS 26 poor 9 73 - 12 - ~10748=3, ~10701=3, ~10756=2 HD3 LYS 95 - HB3 LYS 26 lone 4 100 - 4 - HD3 LYS 86 - HB3 LYS 26 lone 3 100 - 3 - HD2 LYS 86 - HB3 LYS 26 lone 3 100 - 3 - HD2 LYS 95 - HB3 LYS 26 lone 3 96 - 3 - HD3 LYS 86 - HB3 LYS 24 lone 2 57 - 4 - HD2 LYS 86 - HB3 LYS 24 lone 2 57 - 4 - HD3 LYS 95 - HB3 LYS 24 lone 2 57 - 3 - HD2 LYS 95 - HB3 LYS 24 lone 1 51 - 3 - HB2 LEU 98 - HB3 LYS 26 lone 1 87 - 2 - QB ALA 88 - HB3 LYS 26 lone 1 98 - 1 - HB2 LEU 123 - HB3 LYS 24 lone 1 35 - 3 - HB2 LEU 98 - HB3 LYS 24 lone 0 43 - 1 - QB ALA 88 - HB3 LYS 24 lone 0 53 - 1 - Peak 623 from cnoeabs.peaks (2.97, 1.82, 32.72 ppm; 3.79 A): 5 out of 22 assignments used, quality = 1.00: HE3 LYS 26 + HB3 LYS 26 OK 90 100 - 90 - 4.8=50, 3.6/619=14...(62) * HE2 LYS 26 + HB3 LYS 26 OK 90 100 - 90 - 4.8=50, 3.6/619=14...(62) HE3 LYS 31 + HB3 LYS 26 OK 64 100 - 64 - 634/3.0=5, 3.7/619=4...(36) HE2 LYS 31 + HB3 LYS 26 OK 61 98 - 62 - 3.7/619=4, 635/3.0=4...(34) HE3 LYS 19 + HB3 LYS 26 OK 45 98 - 46 - 634/3.0=3, 3.8/273=3...(28) HE3 LYS 24 - HB3 LYS 26 OK 42 87 - 48 - 4.0/620=4, 3.0/621=3...(23) HE3 LYS 24 - HB3 LYS 24 OK 35 43 - 81 - 5.1=42, 4.0/515=5...(50) HE3 LYS 31 - HB3 LYS 24 OK 32 57 - 56 - 3.7/835=4, 3.7/824=4...(30) HE2 LYS 19 - HB3 LYS 26 OK 31 65 - 48 - 3.8/273=3, ~305=2...(27) HE2 LYS 26 - HB3 LYS 24 OK 31 57 - 55 - 3.6/629=5, 3.6/640=3...(22) HE3 LYS 26 - HB3 LYS 24 OK 31 57 - 55 - 3.6/629=5, 3.6/640=3...(22) HE2 LYS 31 - HB3 LYS 24 OK 28 53 - 53 - 3.7/835=4, 3.7/824=4...(29) HE3 LYS 19 - HB3 LYS 24 OK 28 53 - 52 - 3.8/273=4, 2.9/306=3...(34) HE3 LYS 36 - HB3 LYS 26 OK 23 87 - 27 - 4.0/1008=3, 4.0/1019=3...(7) HE2 LYS 19 - HB3 LYS 24 OK 15 30 - 50 - 3.8/273=4, 2.9/306=3...(33) HE2 LYS 36 - HB3 LYS 26 OK 15 57 - 26 - 4.0/1008=3, 4.0/1019=3...(6) HE3 LYS 36 - HB3 LYS 24 OK 14 43 - 33 - 4.0/1008=3, 4.0/1019=3...(12) HE2 LYS 36 - HB3 LYS 24 poor 8 26 - 31 - 4.0/1008=3, 4.0/1019=3...(8) HE3 LYS 86 - HB3 LYS 26 lone 2 73 - 3 - HE3 LYS 86 - HB3 LYS 24 lone 1 35 - 3 - HB3 ASN 121 - HB3 LYS 26 lone 1 81 - 1 - HB3 ASN 121 - HB3 LYS 24 lone 0 39 - 1 - Peak 624 from cnoeabs.peaks (2.97, 1.82, 32.72 ppm; 3.79 A): 5 out of 22 assignments used, quality = 1.00: * HE3 LYS 26 + HB3 LYS 26 OK 90 100 - 90 - 4.8=50, 3.6/619=14...(62) HE2 LYS 26 + HB3 LYS 26 OK 90 100 - 90 - 4.8=50, 3.6/619=14...(62) HE3 LYS 31 + HB3 LYS 26 OK 64 100 - 64 - 634/3.0=5, 3.7/619=4...(36) HE2 LYS 31 + HB3 LYS 26 OK 61 98 - 62 - 3.7/619=4, 635/3.0=4...(34) HE3 LYS 19 + HB3 LYS 26 OK 45 98 - 46 - 634/3.0=3, 3.8/273=3...(28) HE3 LYS 24 - HB3 LYS 26 OK 42 87 - 48 - 4.0/620=4, 3.0/621=3...(23) HE3 LYS 24 - HB3 LYS 24 OK 35 43 - 81 - 5.1=42, 4.0/515=5...(50) HE3 LYS 31 - HB3 LYS 24 OK 32 57 - 56 - 3.7/835=4, 3.7/824=4...(30) HE2 LYS 19 - HB3 LYS 26 OK 31 65 - 48 - 3.8/273=3, ~305=2...(27) HE2 LYS 26 - HB3 LYS 24 OK 31 57 - 55 - 3.6/629=5, 3.6/640=3...(22) HE3 LYS 26 - HB3 LYS 24 OK 31 57 - 55 - 3.6/629=5, 3.6/640=3...(22) HE2 LYS 31 - HB3 LYS 24 OK 28 53 - 53 - 3.7/835=4, 3.7/824=4...(29) HE3 LYS 19 - HB3 LYS 24 OK 28 53 - 52 - 3.8/273=4, 2.9/306=3...(34) HE3 LYS 36 - HB3 LYS 26 OK 23 87 - 27 - 4.0/1008=3, 4.0/1019=3...(7) HE2 LYS 19 - HB3 LYS 24 OK 15 30 - 50 - 3.8/273=4, 2.9/306=3...(33) HE2 LYS 36 - HB3 LYS 26 OK 15 57 - 26 - 4.0/1008=3, 4.0/1019=3...(6) HE3 LYS 36 - HB3 LYS 24 OK 14 43 - 33 - 4.0/1008=3, 4.0/1019=3...(12) HE2 LYS 36 - HB3 LYS 24 poor 8 26 - 31 - 4.0/1008=3, 4.0/1019=3...(8) HE3 LYS 86 - HB3 LYS 26 lone 2 73 - 3 - HE3 LYS 86 - HB3 LYS 24 lone 1 35 - 3 - HB3 ASN 121 - HB3 LYS 26 lone 1 81 - 1 - HB3 ASN 121 - HB3 LYS 24 lone 0 39 - 1 - Peak 625 from cnoeabs.peaks (8.39, 1.82, 32.72 ppm; 2.82 A): 3 out of 8 assignments used, quality = 0.77: * H GLN 27 + HB3 LYS 26 OK 68 100 - 68 - 4.5=25, 614/1.8=18...(9) H ASP 35 + HB3 LYS 26 OK 19 99 - 19 - 614/1.8=4, 10884=4...(7) H GLN 27 + HB3 LYS 24 OK 14 57 - 25 - 614/1.8=6, 6263=5...(9) H ASP 35 - HB3 LYS 24 lone 2 55 - 4 - H THR 65 - HB3 LYS 26 lone 2 73 - 3 - H HIS 3 - HB3 LYS 26 lone 1 65 - 1 - H THR 65 - HB3 LYS 24 lone 0 35 - 1 - H HIS 3 - HB3 LYS 24 lone 0 30 - 0 - Peak 626 from cnoeabs.peaks (8.37, 1.43, 24.54 ppm; 3.78 A): 2 out of 5 assignments used, quality = 0.95: * H LYS 26 + HG2 LYS 26 OK 88 100 - 88 - 4.9=45, 6258/5.0=17...(25) H LYS 24 + HG2 LYS 26 OK 63 100 - 63 - 6222/1.8=13, 6214/3.0=9...(24) H GLY 14 - HG2 LYS 26 lone 4 96 - 4 - H THR 65 - HG2 LYS 26 lone 1 57 - 1 - H HIS 3 - HG2 LYS 26 lone 1 65 - 1 - Peak 627 from cnoeabs.peaks (4.27, 1.43, 24.54 ppm; 3.29 A): 3 out of 10 assignments used, quality = 0.97: * HA LYS 26 + HG2 LYS 26 OK 89 100 - 89 - 4.0=53, 2.9/6252=15...(30) HA LYS 19 + HG2 LYS 26 OK 51 99 - 51 - 597=9, 638/1.8=5...(18) HA LYS 31 + HG2 LYS 26 OK 37 73 - 51 - 3.0/628=5, 638/1.8=4...(23) HA LYS 36 - HG2 LYS 26 OK 18 87 - 21 - 977/1.8=4, 975/3.0=2...(7) HB THR 115 - HG2 LYS 26 lone 9 92 - 9 - 10191/1.8=3, 11521/4.9=3 HA PHE 87 - HG2 LYS 26 lone 3 96 - 3 - HA LEU 22 - HG2 LYS 26 lone 2 73 - 3 - HA ALA 108 - HG2 LYS 26 lone 1 73 - 2 - HA ALA 16 - HG2 LYS 26 lone 1 81 - 1 - HA ALA 109 - HG2 LYS 26 lone 1 73 - 1 - Peak 628 from cnoeabs.peaks (1.75, 1.43, 24.54 ppm; 2.89 A): 4 out of 6 assignments used, quality = 1.00: * HB2 LYS 26 + HG2 LYS 26 OK 98 100 - 98 - 3.0=92, 1.8/619=16...(31) HB2 LYS 24 + HG2 LYS 26 OK 60 98 - 61 - 608=8, 1.8/629=6...(25) HB2 LYS 19 + HG2 LYS 26 OK 49 100 - 49 - 608=6, 3.0/627=5...(17) HB2 LYS 31 + HG2 LYS 26 OK 45 81 - 56 - 1.8/629=4, 3.0/627=3...(25) HB2 ARG 23 - HG2 LYS 26 OK 21 92 - 23 - 4.2/626=4, 428/3.0=4...(6) HG13 ILE 129 - HG2 LYS 26 OK 14 87 - 16 - 2.1/10491=4, 1.8/10483=3...(6) Peak 629 from cnoeabs.peaks (1.82, 1.43, 24.54 ppm; 2.89 A): 2 out of 11 assignments used, quality = 0.99: * HB3 LYS 26 + HG2 LYS 26 OK 98 100 - 98 - 3.0=92, 1.8/628=11...(30) HB3 LYS 24 + HG2 LYS 26 OK 55 92 - 61 - 619=7, 1.8/628=7...(26) HB3 LYS 31 - HG2 LYS 26 OK 44 81 - 54 - 1.8/628=5, 3.0/627=3...(21) HB3 LYS 19 - HG2 LYS 26 OK 35 81 - 43 - 1.8/628=6, 3.0/627=5...(16) HB ILE 32 - HG2 LYS 26 OK 27 100 - 27 - 900=3, 2.1/908=3...(8) HB3 ARG 23 - HG2 LYS 26 OK 23 96 - 24 - 4.2/626=4, 436/3.0=4...(7) HB2 LYS 36 - HG2 LYS 26 OK 19 99 - 19 - 988/1.8=3, ~999=2...(5) HB3 LEU 123 - HG2 LYS 26 OK 15 73 - 21 - 3.2/10756=9, ~10748=2...(7) HB2 LEU 100 - HG2 LYS 26 OK 13 98 - 13 - 3235/1.8=2, 1.8/631=2, ~3243=1 HB VAL 93 - HG2 LYS 26 lone 2 65 - 3 - 4.0/7267=1 HB3 ARG 135 - HG2 LYS 26 lone 2 100 - 2 - Peak 630 from cnoeabs.peaks (1.43, 1.43, 24.54 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 26 + HG2 LYS 26 OK 100 100 - 100 Peak 631 from cnoeabs.peaks (1.38, 1.43, 24.54 ppm; 2.50 A): 2 out of 15 assignments used, quality = 1.00: * HG3 LYS 26 + HG2 LYS 26 OK 100 100 - 100 - 1.8=100 HG2 LYS 24 + HG2 LYS 26 OK 46 99 - 46 - 641=8, 2.9/628=4...(16) HG3 LYS 31 - HG2 LYS 26 OK 27 65 - 42 - 3.0/628=3, 2.9/632=2...(17) HG2 LYS 36 - HG2 LYS 26 OK 14 100 - 14 - 1008/3.0=2, ~1021=1 HB3 LEU 100 - HG2 LYS 26 lone 10 99 - 10 - 3243/3.0=1 HG3 LYS 95 - HG2 LYS 26 lone 4 96 - 4 - HG2 LYS 95 - HG2 LYS 26 lone 4 87 - 4 - QB ALA 28 - HG2 LYS 26 lone 3 99 - 4 - 6265/5.0=1 HB2 LEU 96 - HG2 LYS 26 lone 3 100 - 3 - QB ALA 29 - HG2 LYS 26 lone 2 100 - 2 - QB ALA 15 - HG2 LYS 26 lone 1 100 - 1 - HB2 LEU 42 - HG2 LYS 26 lone 1 98 - 1 - QB ALA 108 - HG2 LYS 26 lone 1 98 - 1 - QB ALA 110 - HG2 LYS 26 lone 1 100 - 1 - QB ALA 109 - HG2 LYS 26 lone 1 81 - 1 - Peak 632 from cnoeabs.peaks (1.66, 1.43, 24.54 ppm; 2.80 A): 6 out of 13 assignments used, quality = 1.00: * HD2 LYS 26 + HG2 LYS 26 OK 97 100 - 97 - 2.9=91, 3.5/619=8...(34) HD3 LYS 26 + HG2 LYS 26 OK 96 99 - 97 - 2.9=91, 3.5/619=8...(34) HD2 LYS 31 + HG2 LYS 26 OK 58 100 - 58 - 652=4, 2.9/631=3...(18) HD3 LYS 31 + HG2 LYS 26 OK 58 100 - 58 - 663=4, 2.9/631=3...(18) HD2 LYS 24 + HG2 LYS 26 OK 49 100 - 49 - 3.0/631=5, 3.5/628=4...(16) HD3 LYS 24 + HG2 LYS 26 OK 49 100 - 49 - 3.0/631=5, 3.5/628=4...(16) HD3 LYS 95 - HG2 LYS 26 lone 5 100 - 5 - HD2 LYS 95 - HG2 LYS 26 lone 4 87 - 5 - HD3 LYS 86 - HG2 LYS 26 lone 4 100 - 4 - HD2 LYS 86 - HG2 LYS 26 lone 4 100 - 4 - HB2 LEU 98 - HG2 LYS 26 lone 2 73 - 3 - QB ALA 88 - HG2 LYS 26 lone 2 100 - 2 - HB2 LEU 69 - HG2 LYS 26 lone 1 65 - 1 - Peak 633 from cnoeabs.peaks (1.66, 1.43, 24.54 ppm; 2.80 A): 6 out of 15 assignments used, quality = 1.00: * HD3 LYS 26 + HG2 LYS 26 OK 97 100 - 97 - 2.9=91, 3.5/619=8...(34) HD2 LYS 26 + HG2 LYS 26 OK 96 99 - 97 - 2.9=91, 3.5/619=8...(34) HD3 LYS 31 + HG2 LYS 26 OK 57 99 - 58 - 663=4, 2.9/631=3...(18) HD2 LYS 31 + HG2 LYS 26 OK 57 98 - 58 - 652=4, 2.9/631=3...(18) HD3 LYS 24 + HG2 LYS 26 OK 49 99 - 49 - 3.0/631=5, 3.5/628=4...(16) HD2 LYS 24 + HG2 LYS 26 OK 48 98 - 49 - 3.0/631=5, 3.5/628=4...(16) HD2 LYS 19 - HG2 LYS 26 OK 22 65 - 34 - 3.9/628=2, 5.2/627=2...(8) HD3 LYS 19 - HG2 LYS 26 OK 22 65 - 34 - 3.9/628=2, 5.2/627=2...(8) HB2 LEU 123 - HG2 LYS 26 OK 15 73 - 21 - 3.2/10756=8, ~10748=2...(6) HD3 LYS 95 - HG2 LYS 26 lone 5 100 - 5 - HD2 LYS 95 - HG2 LYS 26 lone 5 96 - 5 - HD2 LYS 86 - HG2 LYS 26 lone 4 100 - 4 - HD3 LYS 86 - HG2 LYS 26 lone 4 100 - 4 - HB2 LEU 98 - HG2 LYS 26 lone 3 87 - 3 - QB ALA 88 - HG2 LYS 26 lone 2 98 - 2 - Peak 634 from cnoeabs.peaks (2.97, 1.43, 24.54 ppm; 3.28 A): 4 out of 11 assignments used, quality = 1.00: HE3 LYS 26 + HG2 LYS 26 OK 93 100 - 93 - 3.6=74, 1.8/685=7...(40) * HE2 LYS 26 + HG2 LYS 26 OK 93 100 - 93 - 3.6=74, 1.8/685=7...(40) HE3 LYS 31 + HG2 LYS 26 OK 56 100 - 56 - 674=5, 3.0/632=4...(22) HE2 LYS 31 + HG2 LYS 26 OK 52 98 - 53 - 3.0/632=4, 3.0/632=4...(20) HE3 LYS 24 - HG2 LYS 26 OK 35 87 - 40 - 4.0/631=5, 3.0/632=3...(13) HE3 LYS 19 - HG2 LYS 26 OK 34 98 - 35 - 674=2, 5.1/628=2...(11) HE2 LYS 19 - HG2 LYS 26 OK 22 65 - 34 - 5.1/628=2, 1.8/674=2...(9) HE3 LYS 36 - HG2 LYS 26 OK 15 87 - 17 - 4.0/631=1, 646/1.8=1 HE2 LYS 36 - HG2 LYS 26 poor 9 57 - 16 - 4.0/631=1 HE3 LYS 86 - HG2 LYS 26 lone 2 73 - 3 - HB3 ASN 121 - HG2 LYS 26 lone 0 81 - 0 - Peak 635 from cnoeabs.peaks (2.97, 1.43, 24.54 ppm; 3.28 A): 4 out of 11 assignments used, quality = 1.00: * HE3 LYS 26 + HG2 LYS 26 OK 93 100 - 93 - 3.6=74, 1.8/685=7...(40) HE2 LYS 26 + HG2 LYS 26 OK 93 100 - 93 - 3.6=74, 1.8/685=7...(40) HE3 LYS 31 + HG2 LYS 26 OK 56 100 - 56 - 674=5, 3.0/632=4...(22) HE2 LYS 31 + HG2 LYS 26 OK 52 98 - 53 - 3.0/632=4, 3.0/632=4...(20) HE3 LYS 24 - HG2 LYS 26 OK 35 87 - 40 - 4.0/631=5, 3.0/632=3...(13) HE3 LYS 19 - HG2 LYS 26 OK 34 98 - 35 - 674=2, 5.1/628=2...(11) HE2 LYS 19 - HG2 LYS 26 OK 22 65 - 34 - 5.1/628=2, 1.8/674=2...(9) HE3 LYS 36 - HG2 LYS 26 OK 15 87 - 17 - 4.0/631=1, 646/1.8=1 HE2 LYS 36 - HG2 LYS 26 poor 9 57 - 16 - 4.0/631=1 HE3 LYS 86 - HG2 LYS 26 lone 2 73 - 3 - HB3 ASN 121 - HG2 LYS 26 lone 0 81 - 0 - Peak 636 from cnoeabs.peaks (8.39, 1.43, 24.54 ppm; 3.78 A): 2 out of 4 assignments used, quality = 0.90: * H GLN 27 + HG2 LYS 26 OK 87 100 - 87 - 5.0=44, 625/3.0=24...(11) H ASP 35 + HG2 LYS 26 OK 23 99 - 23 - 10884/3.0=7, 647/1.8=7...(5) H THR 65 - HG2 LYS 26 lone 3 73 - 4 - H HIS 3 - HG2 LYS 26 lone 1 65 - 2 - Peak 637 from cnoeabs.peaks (8.37, 1.38, 24.54 ppm; 3.56 A): 3 out of 10 assignments used, quality = 0.98: * H LYS 26 + HG3 LYS 26 OK 87 100 - 87 - 4.9=38, 6252/1.8=23...(24) H LYS 24 + HG3 LYS 26 OK 65 100 - 65 - 6222=15, 626/1.8=13...(22) H LYS 24 + HG2 LYS 24 OK 51 63 - 82 - 5.1=35, 6219/4.1=23...(19) H LYS 26 - HG2 LYS 24 OK 41 63 - 65 - 6253=13, 6250/2.9=8...(21) H GLY 14 - HG3 LYS 26 lone 5 96 - 5 - H GLY 14 - HG2 LYS 24 lone 3 56 - 6 - H THR 65 - HG3 LYS 26 lone 1 57 - 1 - H HIS 3 - HG3 LYS 26 lone 1 65 - 1 - H THR 65 - HG2 LYS 24 lone 0 29 - 1 - H HIS 3 - HG2 LYS 24 lone 0 34 - 1 - Peak 638 from cnoeabs.peaks (4.27, 1.38, 24.54 ppm; 3.24 A): 3 out of 20 assignments used, quality = 0.96: * HA LYS 26 + HG3 LYS 26 OK 88 100 - 88 - 4.0=51, 597/1.8=15...(26) HA LYS 19 + HG3 LYS 26 OK 48 99 - 48 - 627/1.8=8, 598=5...(16) HA LYS 26 + HG2 LYS 24 OK 37 63 - 59 - 598=8, 2.9/6253=7...(25) HA LYS 31 - HG3 LYS 26 OK 34 73 - 46 - 627/1.8=6, 3.8/641=3...(18) HA LYS 19 - HG2 LYS 24 OK 30 61 - 50 - 598=5, 242/1.8=5, ~281=4...(24) HA LYS 36 - HG3 LYS 26 OK 23 87 - 27 - 977=5, 3.0/6394=3...(8) HA LYS 31 - HG2 LYS 24 OK 17 39 - 43 - 792/1.8=4, 790/2.9=3...(19) HA LYS 36 - HG2 LYS 24 OK 16 48 - 33 - 977=6, 3.0/999=4...(9) HB THR 115 - HG3 LYS 26 poor 9 92 - 10 - 11521/4.9=3, 10191=3, 627/1.8=1 HB THR 115 - HG2 LYS 24 lone 5 53 - 10 - 10191=3, 11521/5.1=2 HA PHE 87 - HG3 LYS 26 lone 3 96 - 3 - HA LEU 22 - HG3 LYS 26 lone 2 73 - 3 - HA ALA 108 - HG3 LYS 26 lone 2 73 - 2 - HA ALA 109 - HG3 LYS 26 lone 1 73 - 2 - HA ALA 16 - HG3 LYS 26 lone 1 81 - 1 - HA PHE 87 - HG2 LYS 24 lone 1 56 - 2 - HA ALA 108 - HG2 LYS 24 lone 1 39 - 1 - HA LEU 22 - HG2 LYS 24 lone 1 39 - 1 - HA ALA 16 - HG2 LYS 24 lone 0 44 - 1 - HA ALA 109 - HG2 LYS 24 lone 0 39 - 1 - Peak 639 from cnoeabs.peaks (1.75, 1.38, 24.54 ppm; 2.91 A): 4 out of 12 assignments used, quality = 1.00: * HB2 LYS 26 + HG3 LYS 26 OK 98 100 - 98 - 3.0=94, 628/1.8=12...(29) HB2 LYS 24 + HG3 LYS 26 OK 60 98 - 61 - 3.0/483=7, 628/1.8=7...(22) HB2 LYS 24 + HG2 LYS 24 OK 59 59 - 99 - 2.9=98, 3.0/483=10...(27) HB2 LYS 19 + HG3 LYS 26 OK 47 100 - 47 - 628/1.8=6, 609=4...(15) HB2 LYS 31 - HG3 LYS 26 OK 43 81 - 54 - 628/1.8=5, 3.0/641=3...(21) HB2 LYS 26 - HG2 LYS 24 OK 35 63 - 56 - 3.0/631=5, 1.8/620=5...(22) HB2 LYS 19 - HG2 LYS 24 OK 32 63 - 50 - 3.0/527=4, 609=4...(22) HB2 LYS 31 - HG2 LYS 24 OK 22 44 - 51 - 525/1.8=3, 1.8/505=3...(23) HB2 ARG 23 - HG3 LYS 26 OK 22 92 - 24 - 4.2/6222=4, 428/3.0=4...(9) HG13 ILE 129 - HG3 LYS 26 OK 11 87 - 13 - ~10491=3, ~10483=3...(5) HB2 ARG 23 - HG2 LYS 24 poor 8 53 - 16 - 4.2/6222=5, 428/2.9=2, 481/4.1=1 HG13 ILE 129 - HG2 LYS 24 lone 1 48 - 2 - Peak 640 from cnoeabs.peaks (1.82, 1.38, 24.54 ppm; 2.83 A): 3 out of 22 assignments used, quality = 0.99: * HB3 LYS 26 + HG3 LYS 26 OK 96 100 - 96 - 3.0=86, 619/1.8=16...(26) HB3 LYS 24 + HG3 LYS 26 OK 53 92 - 58 - 3.0/483=7, 629/1.8=5...(22) HB3 LYS 24 + HG2 LYS 24 OK 50 53 - 96 - 2.9=90, 3.0/483=9...(23) HB3 LYS 31 - HG3 LYS 26 OK 40 81 - 50 - 629/1.8=4, 1.8/639=3...(17) HB3 LYS 26 - HG2 LYS 24 OK 35 63 - 56 - 620=7, 3.0/631=5...(21) HB3 LYS 19 - HG3 LYS 26 OK 34 81 - 43 - 1.8/639=3, 629/1.8=3...(15) HB2 LYS 36 - HG3 LYS 26 OK 25 99 - 25 - 988=4, 1.8/999=3...(6) HB ILE 32 - HG3 LYS 26 OK 23 100 - 23 - 900/1.8=3, 2.9/641=2...(6) HB3 ARG 23 - HG3 LYS 26 OK 21 96 - 23 - 4.2/6222=4, 436/3.0=4...(7) HB3 LYS 31 - HG2 LYS 24 OK 20 44 - 47 - 988=3, ~803=2, 526/1.8=2...(17) HB2 LYS 36 - HG2 LYS 24 OK 20 61 - 33 - 988=5, 1.8/999=4...(11) HB3 LYS 19 - HG2 LYS 24 OK 20 44 - 45 - 3.0/527=4, ~285=3, 505=3...(19) HB2 LEU 100 - HG3 LYS 26 OK 16 98 - 17 - 3235=2, 3.2/3268=2...(6) HB3 LEU 123 - HG3 LYS 26 OK 13 73 - 17 - ~10756=5, 3.2/11421=2...(6) HB ILE 32 - HG2 LYS 24 poor 10 63 - 16 - 900/1.8=2, ~10738=1, ~908=1 HB3 ARG 23 - HG2 LYS 24 poor 8 56 - 15 - 4.2/6222=5, 436/2.9=2 HB2 LEU 100 - HG2 LYS 24 poor 6 59 - 11 - 3235=1, 3.2/3268=1 HB3 ARG 135 - HG3 LYS 26 lone 2 100 - 2 - HB3 LEU 123 - HG2 LYS 24 lone 2 38 - 4 - HB VAL 93 - HG3 LYS 26 lone 2 65 - 2 - HB3 ARG 135 - HG2 LYS 24 lone 1 63 - 2 - HB VAL 93 - HG2 LYS 24 lone 0 34 - 1 - Peak 641 from cnoeabs.peaks (1.43, 1.38, 24.54 ppm; 2.50 A): 1 out of 8 assignments used, quality = 1.00: * HG2 LYS 26 + HG3 LYS 26 OK 100 100 - 100 - 1.8=100 HG2 LYS 26 - HG2 LYS 24 OK 29 63 - 46 - 631=10, 628/2.9=4...(13) HG2 LYS 31 - HG3 LYS 26 OK 24 65 - 37 - 619/3.0=2, ~631=2...(15) HG13 ILE 32 - HG3 LYS 26 OK 15 87 - 18 - 619/3.0=2, ~10738=2...(6) HG2 LYS 31 - HG2 LYS 24 OK 10 34 - 31 - ~836=2, ~834=2...(6) QB ALA 92 - HG3 LYS 26 lone 7 98 - 7 - 11317/3.0=2 HG13 ILE 32 - HG2 LYS 24 lone 5 48 - 9 - ~10738=1 QB ALA 92 - HG2 LYS 24 lone 1 59 - 2 - Peak 642 from cnoeabs.peaks (1.38, 1.38, 24.54 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 26 + HG3 LYS 26 OK 100 100 - 100 HG2 LYS 24 + HG2 LYS 24 OK 61 61 - 100 Peak 643 from cnoeabs.peaks (1.66, 1.38, 24.54 ppm; 2.62 A): 6 out of 26 assignments used, quality = 1.00: * HD2 LYS 26 + HG3 LYS 26 OK 89 100 - 89 - 2.9=75, 632/1.8=7...(26) HD3 LYS 26 + HG3 LYS 26 OK 88 99 - 89 - 2.9=75, 632/1.8=6...(26) HD3 LYS 24 + HG2 LYS 24 OK 54 63 - 86 - 3.0=69, 530/1.8=4...(17) HD2 LYS 24 + HG2 LYS 24 OK 54 63 - 86 - 3.0=69, 530/1.8=4...(17) HD2 LYS 31 + HG3 LYS 26 OK 48 100 - 48 - 632/1.8=4, 2.9/641=3...(18) HD3 LYS 31 + HG3 LYS 26 OK 48 100 - 48 - 632/1.8=4, 2.9/641=3...(18) HD2 LYS 24 - HG3 LYS 26 OK 42 100 - 42 - 3.0/527=3, 632/1.8=3...(16) HD3 LYS 24 - HG3 LYS 26 OK 42 100 - 42 - 3.0/527=3, 632/1.8=3...(15) HD3 LYS 31 - HG2 LYS 24 OK 27 63 - 43 - 530/1.8=2, 538=2, ~836=1...(12) HD2 LYS 26 - HG2 LYS 24 OK 27 63 - 43 - 2.9/631=5, 3.5/620=2...(12) HD2 LYS 31 - HG2 LYS 24 OK 27 63 - 43 - 530/1.8=2, 538=2, ~836=1...(11) HD3 LYS 26 - HG2 LYS 24 OK 25 61 - 41 - 2.9/631=5, 3.5/620=2...(12) HD3 LYS 95 - HG3 LYS 26 lone 5 100 - 4 - HD3 LYS 86 - HG2 LYS 24 lone 4 63 - 6 - HD2 LYS 86 - HG2 LYS 24 lone 4 63 - 6 - HD2 LYS 95 - HG3 LYS 26 lone 4 87 - 4 - HD3 LYS 86 - HG3 LYS 26 lone 3 100 - 3 - HD2 LYS 86 - HG3 LYS 26 lone 3 100 - 3 - HD3 LYS 95 - HG2 LYS 24 lone 2 63 - 4 - HB2 LEU 98 - HG3 LYS 26 lone 2 73 - 2 - HD2 LYS 95 - HG2 LYS 24 lone 2 48 - 3 - HB2 LEU 69 - HG2 LYS 24 lone 1 34 - 4 - QB ALA 88 - HG3 LYS 26 lone 1 100 - 1 - HB2 LEU 69 - HG3 LYS 26 lone 1 65 - 1 - HB2 LEU 98 - HG2 LYS 24 lone 1 39 - 1 - QB ALA 88 - HG2 LYS 24 lone 0 63 - 1 - Peak 644 from cnoeabs.peaks (1.66, 1.38, 24.54 ppm; 2.62 A): 6 out of 30 assignments used, quality = 1.00: * HD3 LYS 26 + HG3 LYS 26 OK 89 100 - 89 - 2.9=75, 632/1.8=6...(26) HD2 LYS 26 + HG3 LYS 26 OK 88 99 - 89 - 2.9=75, 632/1.8=6...(26) HD3 LYS 24 + HG2 LYS 24 OK 53 61 - 86 - 3.0=69, 530/1.8=4...(17) HD2 LYS 24 + HG2 LYS 24 OK 51 59 - 86 - 3.0=69, 530/1.8=4...(17) HD3 LYS 31 + HG3 LYS 26 OK 47 99 - 48 - 632/1.8=4, 2.9/641=3...(18) HD2 LYS 31 + HG3 LYS 26 OK 47 98 - 48 - 632/1.8=4, 2.9/641=3...(18) HD3 LYS 24 - HG3 LYS 26 OK 41 99 - 42 - 3.0/527=3, 632/1.8=3...(15) HD2 LYS 24 - HG3 LYS 26 OK 41 98 - 42 - 3.0/527=3, 632/1.8=3...(16) HD2 LYS 26 - HG2 LYS 24 OK 26 61 - 43 - 2.9/631=5, 3.5/620=2...(12) HD3 LYS 31 - HG2 LYS 24 OK 26 61 - 43 - 530/1.8=2, 549=2, ~836=1...(11) HD3 LYS 26 - HG2 LYS 24 OK 26 63 - 41 - 2.9/631=5, 3.5/620=2...(12) HD2 LYS 31 - HG2 LYS 24 OK 25 59 - 43 - 530/1.8=2, 549=2, ~836=1...(11) HD2 LYS 19 - HG3 LYS 26 OK 18 65 - 28 - 3.0/527=2, 633/1.8=1...(4) HD3 LYS 19 - HG3 LYS 26 OK 18 65 - 28 - 3.0/527=2, 633/1.8=1...(4) HD2 LYS 19 - HG2 LYS 24 OK 14 34 - 42 - 3.0/527=3, ~285=2...(10) HD3 LYS 19 - HG2 LYS 24 OK 14 34 - 42 - 3.0/527=3, ~285=2...(10) HB2 LEU 123 - HG3 LYS 26 OK 10 73 - 14 - ~10756=4, 3.2/11421=2...(5) HD3 LYS 95 - HG3 LYS 26 lone 5 100 - 4 - HD2 LYS 95 - HG3 LYS 26 lone 4 96 - 4 - HD2 LYS 86 - HG2 LYS 24 lone 4 63 - 6 - HD3 LYS 86 - HG2 LYS 24 lone 4 63 - 6 - HD3 LYS 86 - HG3 LYS 26 lone 3 100 - 3 - HD2 LYS 86 - HG3 LYS 26 lone 3 100 - 3 - HD3 LYS 95 - HG2 LYS 24 lone 2 63 - 4 - HB2 LEU 98 - HG3 LYS 26 lone 2 87 - 2 - HD2 LYS 95 - HG2 LYS 24 lone 2 56 - 3 - QB ALA 88 - HG3 LYS 26 lone 1 98 - 1 - HB2 LEU 123 - HG2 LYS 24 lone 1 39 - 3 - HB2 LEU 98 - HG2 LYS 24 lone 1 48 - 1 - QB ALA 88 - HG2 LYS 24 lone 0 59 - 1 - Peak 645 from cnoeabs.peaks (2.97, 1.38, 24.54 ppm; 3.17 A): 4 out of 22 assignments used, quality = 1.00: HE3 LYS 26 + HG3 LYS 26 OK 89 100 - 89 - 3.6=67, 635/1.8=7...(29) * HE2 LYS 26 + HG3 LYS 26 OK 89 100 - 89 - 3.6=67, 635/1.8=7...(29) HE3 LYS 31 + HG3 LYS 26 OK 49 100 - 49 - 634/1.8=4, 3.7/641=3...(20) HE2 LYS 31 + HG3 LYS 26 OK 47 98 - 48 - 635/1.8=4, 3.7/641=3...(20) HE3 LYS 24 - HG2 LYS 24 OK 38 48 - 79 - 4.0=50, 1.8/560=7...(32) HE3 LYS 24 - HG3 LYS 26 OK 31 87 - 36 - 4.0/527=3, 1.8/560=3...(14) HE3 LYS 19 - HG3 LYS 26 OK 30 98 - 31 - 634/1.8=3, 3.8/527=2...(8) HE3 LYS 26 - HG2 LYS 24 OK 26 63 - 42 - 3.6/631=5, 675=2...(11) HE2 LYS 26 - HG2 LYS 24 OK 26 63 - 42 - 3.6/631=5, 675=2...(11) HE3 LYS 31 - HG2 LYS 24 OK 26 63 - 41 - 675=2, 1.8/571=2...(12) HE3 LYS 19 - HG2 LYS 24 OK 26 59 - 44 - 3.8/527=4, 1.8/560=3...(15) HE2 LYS 31 - HG2 LYS 24 OK 22 59 - 38 - 1.8/675=2, 675=2...(10) HE2 LYS 19 - HG3 LYS 26 OK 21 65 - 32 - 3.8/527=2, 634/1.8=2...(9) HE3 LYS 36 - HG3 LYS 26 OK 16 87 - 19 - 4.0/1021=2, 4.9/999=1...(6) HE2 LYS 19 - HG2 LYS 24 OK 14 34 - 42 - 3.8/527=4, 1.8/571=2...(13) HE3 LYS 36 - HG2 LYS 24 OK 14 48 - 29 - 4.0/1021=2, 1.8/560=2...(9) HE2 LYS 36 - HG3 LYS 26 OK 10 57 - 18 - 4.0/1021=2, 4.9/999=1...(4) HE2 LYS 36 - HG2 LYS 24 poor 8 29 - 27 - 4.0/1021=2, 3.0/1032=2...(8) HE3 LYS 86 - HG3 LYS 26 lone 2 73 - 3 - HE3 LYS 86 - HG2 LYS 24 lone 2 39 - 4 - HB3 ASN 121 - HG3 LYS 26 lone 0 81 - 0 - HB3 ASN 121 - HG2 LYS 24 lone 0 44 - 1 - Peak 646 from cnoeabs.peaks (2.97, 1.38, 24.54 ppm; 3.17 A): 4 out of 22 assignments used, quality = 1.00: * HE3 LYS 26 + HG3 LYS 26 OK 89 100 - 89 - 3.6=67, 635/1.8=7...(29) HE2 LYS 26 + HG3 LYS 26 OK 89 100 - 89 - 3.6=67, 635/1.8=7...(29) HE3 LYS 31 + HG3 LYS 26 OK 49 100 - 49 - 634/1.8=4, 3.7/641=3...(20) HE2 LYS 31 + HG3 LYS 26 OK 47 98 - 48 - 635/1.8=4, 3.7/641=3...(20) HE3 LYS 24 - HG2 LYS 24 OK 38 48 - 79 - 4.0=50, 1.8/560=7...(32) HE3 LYS 24 - HG3 LYS 26 OK 31 87 - 36 - 4.0/527=3, 1.8/560=3...(14) HE3 LYS 19 - HG3 LYS 26 OK 30 98 - 31 - 634/1.8=3, 3.8/527=2...(8) HE3 LYS 26 - HG2 LYS 24 OK 26 63 - 42 - 3.6/631=5, 675=2...(11) HE2 LYS 26 - HG2 LYS 24 OK 26 63 - 42 - 3.6/631=5, 675=2...(11) HE3 LYS 31 - HG2 LYS 24 OK 26 63 - 41 - 675=2, 1.8/571=2...(12) HE3 LYS 19 - HG2 LYS 24 OK 26 59 - 44 - 3.8/527=4, 1.8/560=3...(15) HE2 LYS 31 - HG2 LYS 24 OK 22 59 - 38 - 1.8/675=2, 675=2...(10) HE2 LYS 19 - HG3 LYS 26 OK 21 65 - 32 - 3.8/527=2, 634/1.8=2...(9) HE3 LYS 36 - HG3 LYS 26 OK 16 87 - 19 - 4.0/1021=2, 4.9/999=1...(6) HE2 LYS 19 - HG2 LYS 24 OK 14 34 - 42 - 3.8/527=4, 1.8/571=2...(13) HE3 LYS 36 - HG2 LYS 24 OK 14 48 - 29 - 4.0/1021=2, 1.8/560=2...(9) HE2 LYS 36 - HG3 LYS 26 OK 10 57 - 18 - 4.0/1021=2, 4.9/999=1...(4) HE2 LYS 36 - HG2 LYS 24 poor 8 29 - 27 - 4.0/1021=2, 3.0/1032=2...(8) HE3 LYS 86 - HG3 LYS 26 lone 2 73 - 3 - HE3 LYS 86 - HG2 LYS 24 lone 2 39 - 4 - HB3 ASN 121 - HG3 LYS 26 lone 0 81 - 0 - HB3 ASN 121 - HG2 LYS 24 lone 0 44 - 1 - Peak 647 from cnoeabs.peaks (8.39, 1.38, 24.54 ppm; 3.56 A): 3 out of 8 assignments used, quality = 0.91: * H GLN 27 + HG3 LYS 26 OK 85 100 - 85 - 5.0=37, 636/1.8=25...(14) H GLN 27 + HG2 LYS 24 OK 26 63 - 41 - 6265=8, 6262/2.9=6...(12) H ASP 35 + HG3 LYS 26 OK 24 99 - 24 - 636/1.8=7, 10884/3.0=6...(6) H ASP 35 - HG2 LYS 24 lone 4 61 - 7 - 4.6/6394=2, 10884/2.9=1 H THR 65 - HG3 LYS 26 lone 3 73 - 4 - 636/1.8=1 H HIS 3 - HG3 LYS 26 lone 1 65 - 2 - H THR 65 - HG2 LYS 24 lone 1 39 - 2 - H HIS 3 - HG2 LYS 24 lone 0 34 - 1 - Peak 648 from cnoeabs.peaks (8.37, 1.66, 28.90 ppm; 4.37 A): 12 out of 30 assignments used, quality = 1.00: * H LYS 26 + HD2 LYS 26 OK 90 100 - 90 - 5.7=44, 6252/2.9=24...(27) H LYS 24 + HD3 LYS 24 OK 89 100 - 89 - 5.9=40, 6219/5.4=22...(16) H LYS 24 + HD2 LYS 24 OK 88 99 - 89 - 5.9=40, 6219/5.4=22...(16) H LYS 26 + HD3 LYS 26 OK 86 96 - 90 - 5.7=44, 6252/2.9=24...(25) H LYS 26 + HD3 LYS 24 OK 67 100 - 67 - 6253/3.0=11, 6250/3.5=10...(23) H LYS 26 + HD2 LYS 24 OK 67 99 - 67 - 6253/3.0=11, 6250/3.5=10...(23) H LYS 24 + HD2 LYS 26 OK 64 100 - 64 - 626/2.9=15, 6222/2.9=12...(17) H LYS 26 + HD3 LYS 31 OK 62 100 - 62 - 6252/2.9=8, 6254=6...(33) H LYS 26 + HD2 LYS 31 OK 61 99 - 62 - 6252/2.9=8, 6254=6...(33) H LYS 24 + HD3 LYS 26 OK 61 95 - 65 - 626/2.9=15, 6222/2.9=12...(17) H LYS 24 + HD3 LYS 31 OK 50 100 - 51 - 6223/2.9=9, 3.0/486=6...(20) H LYS 24 + HD2 LYS 31 OK 50 99 - 51 - 6223/2.9=9, 3.0/486=6...(20) H GLY 14 - HD2 LYS 26 lone 5 96 - 5 - 626/2.9=1 H GLY 14 - HD3 LYS 26 lone 5 89 - 5 - 626/2.9=1 H GLY 14 - HD3 LYS 24 lone 4 96 - 4 - 512/3.0=1 H GLY 14 - HD2 LYS 24 lone 4 94 - 4 - 512/3.0=1 H GLY 14 - HD3 LYS 31 lone 2 96 - 2 - H GLY 14 - HD2 LYS 31 lone 1 94 - 2 - H THR 65 - HD2 LYS 26 lone 1 57 - 1 - H HIS 3 - HD2 LYS 26 lone 1 65 - 1 - H THR 65 - HD3 LYS 26 lone 1 51 - 1 - H HIS 3 - HD3 LYS 26 lone 1 58 - 1 - H HIS 3 - HD3 LYS 24 lone 1 65 - 1 - H THR 65 - HD3 LYS 31 lone 1 57 - 1 - H HIS 3 - HD2 LYS 24 lone 1 64 - 1 - H THR 65 - HD2 LYS 31 lone 1 56 - 1 - H THR 65 - HD3 LYS 24 lone 1 57 - 1 - H HIS 3 - HD3 LYS 31 lone 1 65 - 1 - H THR 65 - HD2 LYS 24 lone 1 56 - 1 - H HIS 3 - HD2 LYS 31 lone 1 64 - 1 - Peak 649 from cnoeabs.peaks (4.27, 1.66, 28.90 ppm; 3.04 A): 8 out of 60 assignments used, quality = 1.00: * HA LYS 26 + HD2 LYS 26 OK 75 100 - 75 - 5.0=23, 597/2.9=10...(31) HA LYS 26 + HD3 LYS 26 OK 71 96 - 75 - 5.0=23, 597/2.9=10...(29) HA LYS 31 + HD3 LYS 31 OK 51 73 - 70 - 5.2=20, 793/2.9=7...(28) HA LYS 31 + HD2 LYS 31 OK 50 71 - 70 - 5.2=20, 793/2.9=7...(28) HA LYS 26 + HD3 LYS 24 OK 49 100 - 49 - 598/3.0=4, 599=4...(19) HA LYS 26 + HD2 LYS 24 OK 49 99 - 49 - 598/3.0=4, 599=4...(19) HA LYS 26 + HD3 LYS 31 OK 48 100 - 48 - 599=4, 597/2.9=3...(19) HA LYS 26 + HD2 LYS 31 OK 48 99 - 48 - 599=4, 597/2.9=3...(19) HA LYS 19 - HD2 LYS 26 OK 38 99 - 39 - 627/2.9=5, 638/2.9=3...(12) HA LYS 19 - HD3 LYS 24 OK 38 99 - 38 - 242/3.0=3, 598/3.0=3...(10) HA LYS 19 - HD2 LYS 24 OK 37 98 - 38 - 242/3.0=3, 598/3.0=3...(10) HA LYS 19 - HD3 LYS 31 OK 37 99 - 37 - 242/2.9=3, 599=2...(14) HA LYS 19 - HD2 LYS 31 OK 36 98 - 37 - 242/2.9=3, 599=2...(13) HA LYS 19 - HD3 LYS 26 OK 34 94 - 36 - 627/2.9=5, 638/2.9=3...(10) HA LYS 31 - HD2 LYS 26 OK 34 73 - 46 - 627/2.9=4, 795=3...(16) HA LYS 31 - HD3 LYS 24 OK 31 73 - 43 - 795=3, 792/3.0=2...(14) HA LYS 31 - HD2 LYS 24 OK 30 71 - 43 - 795=3, 792/3.0=2...(14) HA LYS 31 - HD3 LYS 26 OK 30 66 - 46 - 627/2.9=4, 795=3...(16) HA LYS 36 - HD3 LYS 24 OK 21 87 - 24 - 977/3.0=3, 979/1.8=2...(6) HA LYS 36 - HD2 LYS 24 OK 17 85 - 21 - 977/3.0=3, 975/3.5=2, ~999=1 HA LYS 36 - HD3 LYS 31 OK 17 87 - 20 - 980/1.8=2, 975/3.5=2...(6) HA LYS 36 - HD2 LYS 31 OK 14 85 - 16 - 975/3.5=2, 833/2.9=1, 822/2.9=1 HA LYS 36 - HD2 LYS 26 OK 11 87 - 13 - 977/2.9=2, 627/2.9=2, 975/3.5=2 HA LYS 36 - HD3 LYS 26 OK 10 79 - 13 - 977/2.9=2, 627/2.9=2, 975/3.5=2 HB THR 115 - HD3 LYS 24 lone 6 92 - 7 - 10191/3.0=2, ~10196=1 HB THR 115 - HD2 LYS 24 lone 6 90 - 7 - 10191/3.0=2, ~10196=1 HB THR 115 - HD2 LYS 26 lone 6 92 - 7 - 10191/2.9=2, 11521/5.7=2 HB THR 115 - HD3 LYS 26 lone 6 84 - 7 - 10191/2.9=2, 11521/5.7=2 HA PHE 87 - HD2 LYS 26 lone 3 96 - 3 - HA PHE 87 - HD3 LYS 24 lone 3 96 - 3 - HA PHE 87 - HD2 LYS 24 lone 3 94 - 3 - HA PHE 87 - HD3 LYS 26 lone 3 89 - 3 - HA PHE 87 - HD3 LYS 31 lone 2 96 - 2 - HA PHE 87 - HD2 LYS 31 lone 2 94 - 2 - HA ALA 109 - HD3 LYS 31 lone 2 73 - 3 - HA ALA 108 - HD3 LYS 31 lone 2 73 - 3 - HA ALA 109 - HD2 LYS 31 lone 2 71 - 3 - HA ALA 108 - HD2 LYS 31 lone 2 71 - 3 - HA LEU 22 - HD3 LYS 31 lone 2 73 - 2 - HA LEU 22 - HD2 LYS 31 lone 2 71 - 2 - HB THR 115 - HD2 LYS 31 lone 1 90 - 2 - HB THR 115 - HD3 LYS 31 lone 1 92 - 1 - HA LEU 22 - HD2 LYS 26 lone 1 73 - 1 - HA LEU 22 - HD3 LYS 26 lone 1 66 - 1 - HA ALA 108 - HD2 LYS 26 lone 1 73 - 1 - HA ALA 108 - HD3 LYS 26 lone 1 66 - 1 - HA ALA 109 - HD2 LYS 26 lone 1 73 - 1 - HA ALA 16 - HD3 LYS 31 lone 1 81 - 1 - HA ALA 16 - HD2 LYS 31 lone 1 79 - 1 - HA ALA 16 - HD2 LYS 26 lone 1 81 - 1 - HA ALA 109 - HD3 LYS 26 lone 1 66 - 1 - HA ALA 16 - HD3 LYS 26 lone 1 73 - 1 - HA LEU 22 - HD2 LYS 24 lone 1 71 - 1 - HA LEU 22 - HD3 LYS 24 lone 1 73 - 1 - HA ALA 108 - HD2 LYS 24 lone 1 71 - 1 - HA ALA 108 - HD3 LYS 24 lone 1 73 - 1 - HA ALA 109 - HD3 LYS 24 lone 1 73 - 1 - HA ALA 109 - HD2 LYS 24 lone 1 71 - 1 - HA ALA 16 - HD3 LYS 24 lone 0 81 - 1 - HA ALA 16 - HD2 LYS 24 lone 0 79 - 1 - Peak 650 from cnoeabs.peaks (1.75, 1.66, 28.90 ppm; 3.14 A): 22 out of 36 assignments used, quality = 1.00: * HB2 LYS 26 + HD2 LYS 26 OK 93 100 - 93 - 3.5=72, 628/2.9=9...(48) HB2 LYS 24 + HD3 LYS 24 OK 91 98 - 92 - 3.5=70, 283/3.0=5...(54) HB2 LYS 24 + HD2 LYS 24 OK 89 97 - 92 - 3.5=70, 283/3.0=5...(55) HB2 LYS 26 + HD3 LYS 26 OK 89 96 - 93 - 3.5=72, 628/2.9=9...(53) HB2 LYS 31 + HD3 LYS 31 OK 75 81 - 93 - 3.5=73, 804/2.9=8...(52) HB2 LYS 31 + HD2 LYS 31 OK 73 79 - 93 - 3.5=73, 804/2.9=8...(52) HB2 LYS 26 + HD3 LYS 31 OK 64 100 - 65 - 3.0/632=4, 1.8/621=4...(31) HB2 LYS 26 + HD2 LYS 31 OK 64 99 - 65 - 3.0/632=4, 1.8/621=4...(31) HB2 LYS 24 + HD3 LYS 31 OK 62 98 - 63 - 823/2.9=3, 834/2.9=3...(32) HB2 LYS 24 + HD2 LYS 31 OK 61 97 - 63 - 823/2.9=3, 834/2.9=3...(32) HB2 LYS 24 + HD2 LYS 26 OK 60 98 - 61 - 628/2.9=6, 639/2.9=4...(32) HB2 LYS 26 + HD3 LYS 24 OK 57 100 - 57 - 1.8/621=3, 3.0/632=3...(28) HB2 LYS 26 + HD2 LYS 24 OK 57 99 - 57 - 1.8/621=3, 3.0/632=3...(28) HB2 LYS 24 + HD3 LYS 26 OK 55 92 - 60 - 628/2.9=6, 639/2.9=4...(32) HB2 LYS 19 + HD3 LYS 31 OK 51 100 - 51 - 823/2.9=2, 834/2.9=2...(16) HB2 LYS 19 + HD3 LYS 24 OK 51 100 - 51 - 514/3.0=3, 253/3.0=3...(22) HB2 LYS 19 + HD2 LYS 31 OK 50 99 - 51 - 823/2.9=2, 834/2.9=2...(16) HB2 LYS 19 + HD2 LYS 24 OK 50 99 - 51 - 514/3.0=3, 253/3.0=3...(22) HB2 LYS 31 + HD2 LYS 26 OK 50 81 - 62 - 628/2.9=4, 3.0/839=3...(28) HB2 LYS 31 + HD3 LYS 24 OK 48 81 - 60 - 3.0/839=3, 3.0/795=3...(28) HB2 LYS 19 + HD2 LYS 26 OK 48 100 - 48 - 628/2.9=5, 639/2.9=3...(20) HB2 LYS 31 + HD2 LYS 24 OK 47 79 - 59 - 3.0/839=3, 3.0/795=3...(28) HB2 LYS 31 - HD3 LYS 26 OK 45 73 - 62 - 628/2.9=4, 3.0/839=3...(26) HB2 LYS 19 - HD3 LYS 26 OK 42 96 - 44 - 628/2.9=5, 639/2.9=3...(16) HB2 ARG 23 - HD2 LYS 26 OK 13 92 - 14 - 428/3.5=3, 433/5.7=2...(4) HB2 ARG 23 - HD3 LYS 26 OK 12 84 - 14 - 428/3.5=3, 433/5.7=2...(4) HB2 ARG 23 - HD3 LYS 24 lone 8 92 - 9 - 6213/5.9=2, 428/3.5=1 HB2 ARG 23 - HD2 LYS 24 lone 8 90 - 9 - 6213/5.9=2, 428/3.5=1 HG13 ILE 129 - HD2 LYS 26 lone 8 87 - 9 - ~10483=2, ~10491=2...(4) HG13 ILE 129 - HD3 LYS 26 lone 7 79 - 9 - ~10483=2, ~10491=2...(4) HB2 ARG 23 - HD3 LYS 31 lone 3 92 - 3 - HB2 ARG 23 - HD2 LYS 31 lone 3 90 - 3 - HG13 ILE 129 - HD3 LYS 31 lone 3 87 - 3 - HG13 ILE 129 - HD2 LYS 31 lone 3 85 - 3 - HG13 ILE 129 - HD3 LYS 24 lone 1 87 - 1 - HG13 ILE 129 - HD2 LYS 24 lone 1 85 - 1 - Peak 651 from cnoeabs.peaks (1.82, 1.66, 28.90 ppm; 2.78 A): 13 out of 66 assignments used, quality = 1.00: * HB3 LYS 26 + HD2 LYS 26 OK 83 100 - 83 - 3.5=50, 619/2.9=10...(34) HB3 LYS 26 + HD3 LYS 26 OK 79 96 - 83 - 3.5=50, 619/2.9=10...(32) HB3 LYS 24 + HD3 LYS 24 OK 74 92 - 81 - 3.5=49, 3.0/486=4...(38) HB3 LYS 24 + HD2 LYS 24 OK 73 90 - 81 - 3.5=49, 3.0/486=4...(38) HB3 LYS 31 + HD3 LYS 31 OK 66 81 - 82 - 3.5=51, 3.0/839=5...(31) HB3 LYS 31 + HD2 LYS 31 OK 65 79 - 82 - 3.5=51, 3.0/839=5...(31) HB3 LYS 26 + HD3 LYS 31 OK 56 100 - 56 - 621=4, 619/2.9=3...(16) HB3 LYS 26 + HD2 LYS 31 OK 56 99 - 56 - 621=4, 619/2.9=3...(16) HB3 LYS 26 + HD3 LYS 24 OK 49 100 - 49 - 621=4, 620/3.0=3...(16) HB3 LYS 26 + HD2 LYS 24 OK 49 99 - 49 - 621=4, 620/3.0=3...(16) HB3 LYS 24 + HD3 LYS 31 OK 48 92 - 53 - 3.0/486=3, 621=2...(17) HB3 LYS 24 + HD2 LYS 31 OK 47 90 - 53 - 3.0/486=3, 621=2...(17) HB3 LYS 24 + HD2 LYS 26 OK 46 92 - 50 - 629/2.9=4, 3.0/486=3...(22) HB3 LYS 24 - HD3 LYS 26 OK 41 84 - 49 - 629/2.9=4, 3.0/486=3...(22) HB3 LYS 31 - HD2 LYS 26 OK 41 81 - 50 - 629/2.9=3, 3.0/839=3...(19) HB3 LYS 31 - HD3 LYS 24 OK 38 81 - 47 - 3.0/839=3, 1.8/806=2...(20) HB3 LYS 31 - HD2 LYS 24 OK 37 79 - 47 - 3.0/839=3, 1.8/806=2...(20) HB3 LYS 31 - HD3 LYS 26 OK 37 73 - 51 - 629/2.9=3, 3.0/839=3...(19) HB ILE 32 - HD3 LYS 31 OK 32 100 - 32 - 900/2.9=4, 2.1/10755=2...(13) HB3 LYS 19 - HD3 LYS 31 OK 32 81 - 39 - 835/2.9=2, 824/2.9=2...(10) HB ILE 32 - HD2 LYS 31 OK 32 99 - 32 - 900/2.9=4, ~10840=2...(13) HB3 LYS 19 - HD2 LYS 31 OK 31 79 - 40 - 835/2.9=2, 824/2.9=2...(10) HB3 LYS 19 - HD3 LYS 24 OK 31 81 - 39 - 515/3.0=2, ~285=2...(11) HB3 LYS 19 - HD2 LYS 24 OK 30 79 - 39 - 515/3.0=2, ~285=2...(11) HB3 LYS 19 - HD2 LYS 26 OK 29 81 - 36 - 629/2.9=2, ~628=2...(11) HB2 LYS 36 - HD3 LYS 24 OK 28 99 - 28 - 988/3.0=2, 991/1.8=2...(8) HB3 LYS 19 - HD3 LYS 26 OK 24 73 - 33 - 629/2.9=2, ~628=2...(9) HB2 LYS 36 - HD2 LYS 24 OK 23 98 - 23 - 988/3.0=2, ~999=2...(5) HB2 LYS 36 - HD3 LYS 31 OK 22 99 - 23 - 991/1.8=2, ~1002=1, ~1001=1 HB ILE 32 - HD2 LYS 26 OK 18 100 - 18 - 900/2.9=2, ~10840=1...(7) HB2 LYS 36 - HD2 LYS 31 OK 18 98 - 18 - HB ILE 32 - HD3 LYS 26 OK 18 95 - 19 - 900/2.9=2, 2.1/10755=2...(7) HB ILE 32 - HD3 LYS 24 OK 12 100 - 12 - 900/3.0=2 HB ILE 32 - HD2 LYS 24 OK 12 99 - 12 - 900/3.0=2 HB2 LYS 36 - HD2 LYS 26 OK 12 99 - 12 - 988/2.9=2, 629/2.9=1, ~999=1 HB2 LYS 36 - HD3 LYS 26 OK 11 94 - 12 - 988/2.9=2, 629/2.9=1, ~999=1 HB3 ARG 23 - HD2 LYS 26 OK 10 96 - 11 - 436/3.5=3, 442/5.7=2, 629/2.9=1 HB3 ARG 23 - HD3 LYS 26 poor 9 89 - 11 - 436/3.5=3, 442/5.7=2, 629/2.9=1 HB2 LEU 100 - HD2 LYS 26 lone 9 98 - 9 - 3.2/11389=2, 3235/2.9=1 HB2 LEU 100 - HD3 LYS 26 lone 8 92 - 9 - 3.2/11389=2, 3235/2.9=1 HB3 ARG 23 - HD3 LYS 24 lone 7 96 - 7 - 6214/5.9=2, 436/3.5=1 HB3 LEU 123 - HD2 LYS 26 lone 7 73 - 9 - ~10756=3, ~11421=1, 629/2.9=1 HB3 ARG 23 - HD2 LYS 24 lone 6 94 - 7 - 6214/5.9=2, 436/3.5=1 HB2 LEU 100 - HD3 LYS 24 lone 6 98 - 7 - 3.2/11389=1 HB2 LEU 100 - HD2 LYS 24 lone 6 97 - 7 - 3.2/11389=1 HB3 LEU 123 - HD3 LYS 26 lone 6 65 - 9 - ~10756=3, ~11421=1, 629/2.9=1 HB3 ARG 23 - HD3 LYS 31 lone 2 96 - 2 - HB3 ARG 23 - HD2 LYS 31 lone 2 94 - 2 - HB2 LEU 100 - HD2 LYS 31 lone 2 97 - 2 - HB2 LEU 100 - HD3 LYS 31 lone 2 98 - 2 - HB3 LEU 123 - HD3 LYS 24 lone 2 73 - 2 - HB3 LEU 123 - HD2 LYS 24 lone 2 71 - 2 - HB3 ARG 135 - HD2 LYS 31 lone 1 99 - 1 - HB3 ARG 135 - HD3 LYS 31 lone 1 100 - 1 - HB VAL 93 - HD2 LYS 26 lone 1 65 - 1 - HB3 ARG 135 - HD2 LYS 26 lone 1 100 - 1 - HB VAL 93 - HD3 LYS 26 lone 1 58 - 1 - HB3 ARG 135 - HD3 LYS 26 lone 1 95 - 1 - HB3 LEU 123 - HD3 LYS 31 lone 1 73 - 1 - HB3 LEU 123 - HD2 LYS 31 lone 1 71 - 1 - HB3 ARG 135 - HD2 LYS 24 lone 1 99 - 1 - HB3 ARG 135 - HD3 LYS 24 lone 1 100 - 1 - HB VAL 93 - HD3 LYS 24 lone 0 65 - 0 - HB VAL 93 - HD2 LYS 24 lone 0 64 - 0 - HB VAL 93 - HD3 LYS 31 lone 0 65 - 0 - HB VAL 93 - HD2 LYS 31 lone 0 64 - 0 - Peak 652 from cnoeabs.peaks (1.43, 1.66, 28.90 ppm; 2.50 A): 6 out of 24 assignments used, quality = 1.00: * HG2 LYS 26 + HD2 LYS 26 OK 85 100 - 85 - 2.9=65, 619/3.5=6...(25) HG2 LYS 26 + HD3 LYS 26 OK 81 96 - 85 - 2.9=65, 619/3.5=6...(28) HG2 LYS 31 + HD3 LYS 31 OK 52 65 - 79 - 2.9=61, 1.8/839=7...(18) HG2 LYS 31 + HD2 LYS 31 OK 50 64 - 79 - 2.9=61, 1.8/839=7...(18) HG2 LYS 26 + HD3 LYS 31 OK 48 100 - 48 - 632=5, 632/1.8=4...(11) HG2 LYS 26 + HD2 LYS 31 OK 48 99 - 48 - 632=5, 632/1.8=4...(12) HG2 LYS 26 - HD3 LYS 24 OK 40 100 - 40 - 632=4, 631/3.0=4...(10) HG2 LYS 26 - HD2 LYS 24 OK 40 99 - 40 - 632=4, 631/3.0=4...(10) HG2 LYS 31 - HD2 LYS 26 OK 25 65 - 38 - 1.8/839=3, 641/2.9=2...(10) HG2 LYS 31 - HD3 LYS 26 OK 22 58 - 38 - 1.8/839=3, 641/2.9=2...(10) HG2 LYS 31 - HD3 LYS 24 OK 21 65 - 33 - 1.8/839=3, ~839=2...(11) HG2 LYS 31 - HD2 LYS 24 OK 21 64 - 33 - 1.8/839=3, ~839=2...(11) HG13 ILE 32 - HD2 LYS 31 OK 18 85 - 21 - 921/3.5=1, 3.2/10755=1...(5) HG13 ILE 32 - HD3 LYS 31 OK 18 87 - 20 - 921/3.5=1, 3.2/10755=1...(5) HG13 ILE 32 - HD2 LYS 26 OK 13 87 - 15 - 619/3.5=2, 641/2.9=2, 608/3.5=1 HG13 ILE 32 - HD3 LYS 26 OK 12 79 - 15 - 619/3.5=2, 641/2.9=2, 608/3.5=1 HG13 ILE 32 - HD2 LYS 24 lone 7 85 - 8 - HG13 ILE 32 - HD3 LYS 24 lone 7 87 - 8 - QB ALA 92 - HD2 LYS 26 lone 6 98 - 6 - 11317/3.5=2 QB ALA 92 - HD3 LYS 26 lone 6 92 - 6 - 11317/3.5=2 QB ALA 92 - HD3 LYS 31 lone 1 98 - 1 - QB ALA 92 - HD2 LYS 31 lone 1 97 - 1 - QB ALA 92 - HD3 LYS 24 lone 1 98 - 1 - QB ALA 92 - HD2 LYS 24 lone 1 97 - 1 - Peak 653 from cnoeabs.peaks (1.38, 1.66, 28.90 ppm; 2.65 A): 11 out of 90 assignments used, quality = 1.00: * HG3 LYS 26 + HD2 LYS 26 OK 90 100 - 90 - 2.9=77, 1.8/632=7...(26) HG2 LYS 24 + HD3 LYS 24 OK 87 99 - 87 - 3.0=71, 1.8/530=5...(17) HG3 LYS 26 + HD3 LYS 26 OK 86 96 - 90 - 2.9=77, 1.8/632=7...(26) HG2 LYS 24 + HD2 LYS 24 OK 86 98 - 88 - 3.0=71, 1.8/530=5...(17) HG3 LYS 31 + HD3 LYS 31 OK 56 65 - 86 - 2.9=73, 839/1.8=3...(24) HG3 LYS 31 + HD2 LYS 31 OK 55 64 - 86 - 2.9=73, 839/1.8=3...(24) HG3 LYS 26 + HD3 LYS 31 OK 49 100 - 50 - 643=4, 1.8/632=4...(18) HG3 LYS 26 + HD2 LYS 31 OK 49 99 - 50 - 643=4, 1.8/632=4...(18) HG2 LYS 24 + HD3 LYS 31 OK 47 99 - 47 - 519=4, 517/2.9=3...(15) HG2 LYS 24 + HD2 LYS 31 OK 46 98 - 47 - 519=4, 517/2.9=3...(15) HG2 LYS 24 + HD2 LYS 26 OK 45 99 - 46 - 631/2.9=5, 519=4...(14) HG3 LYS 26 - HD3 LYS 24 OK 44 100 - 44 - 643=3, 527/3.0=3...(15) HG3 LYS 26 - HD2 LYS 24 OK 44 99 - 45 - 643=3, 527/3.0=3...(16) HG2 LYS 24 - HD3 LYS 26 OK 41 94 - 44 - 631/2.9=5, 519=3...(12) HG3 LYS 31 - HD2 LYS 26 OK 28 65 - 43 - 1.8/828=3, 631/2.9=3...(13) HG2 LYS 36 - HD3 LYS 24 OK 27 100 - 27 - 1013/1.8=2, 1014/3.0=2...(8) HG3 LYS 31 - HD3 LYS 24 OK 26 65 - 39 - 1.8/828=3, 839=3...(11) HG3 LYS 31 - HD2 LYS 24 OK 25 64 - 40 - 1.8/828=3, 839=3...(11) HG3 LYS 31 - HD3 LYS 26 OK 25 58 - 43 - 1.8/828=3, 631/2.9=3...(13) HG2 LYS 36 - HD2 LYS 24 OK 23 99 - 23 - 1014/3.0=2, 1015/3.0=2...(6) HG2 LYS 36 - HD3 LYS 31 OK 18 100 - 18 - 1013/1.8=2, 1008/3.5=1 HG2 LYS 36 - HD2 LYS 31 OK 15 99 - 15 - 1008/3.5=1 HG3 LYS 95 - HD3 LYS 31 OK 12 96 - 13 - 3006=1 HG3 LYS 95 - HD2 LYS 31 OK 12 94 - 13 - 3006=1 HG2 LYS 95 - HD3 LYS 31 OK 11 87 - 13 - 3006=1 HG2 LYS 95 - HD2 LYS 31 OK 11 85 - 13 - 3006=1 QB ALA 15 - HD3 LYS 31 OK 11 100 - 11 - 10790/3.5=4, ~842=1, ~831=1 HG2 LYS 36 - HD2 LYS 26 OK 11 100 - 11 - 1008/3.5=2, 631/2.9=1 QB ALA 15 - HD2 LYS 31 OK 11 99 - 11 - 10790/3.5=4, ~842=1, ~831=1 HG2 LYS 36 - HD3 LYS 26 OK 10 95 - 11 - 1008/3.5=2, 631/2.9=1 HB2 LEU 96 - HD3 LYS 31 lone 9 100 - 9 - 3070/2.9=2, 3.2/11694=2, ~3079=1 HB2 LEU 96 - HD2 LYS 31 lone 9 99 - 9 - 3070/2.9=2, 3.2/11694=2, ~3079=1 HB3 LEU 100 - HD2 LYS 26 lone 9 99 - 9 - 3.2/11389=1, 3243/3.5=1 HB3 LEU 100 - HD3 LYS 26 lone 9 94 - 9 - 3.2/11389=1, 3243/3.5=1 HG3 LYS 95 - HD2 LYS 26 lone 7 96 - 7 - HB3 LEU 100 - HD3 LYS 24 lone 6 99 - 6 - HB3 LEU 100 - HD2 LYS 24 lone 6 98 - 6 - HG3 LYS 95 - HD3 LYS 26 lone 6 89 - 7 - HG2 LYS 95 - HD2 LYS 26 lone 6 87 - 6 - HG3 LYS 95 - HD3 LYS 24 lone 5 96 - 5 - HG3 LYS 95 - HD2 LYS 24 lone 5 94 - 5 - HG2 LYS 95 - HD3 LYS 26 lone 5 79 - 6 - HG2 LYS 95 - HD3 LYS 24 lone 5 87 - 5 - HG2 LYS 95 - HD2 LYS 24 lone 5 85 - 5 - HB2 LEU 96 - HD2 LYS 26 lone 3 100 - 3 - HB2 LEU 96 - HD3 LYS 26 lone 3 95 - 3 - HB2 LEU 96 - HD3 LYS 24 lone 3 100 - 3 - HB2 LEU 96 - HD2 LYS 24 lone 3 99 - 3 - QB ALA 108 - HD3 LYS 31 lone 3 98 - 3 - QB ALA 108 - HD2 LYS 31 lone 3 97 - 3 - QB ALA 28 - HD3 LYS 26 lone 3 94 - 3 - QB ALA 29 - HD3 LYS 31 lone 2 100 - 2 - QB ALA 28 - HD2 LYS 26 lone 2 99 - 2 - QB ALA 29 - HD2 LYS 31 lone 2 99 - 2 - QB ALA 109 - HD3 LYS 31 lone 2 81 - 2 - QB ALA 109 - HD2 LYS 31 lone 2 79 - 2 - QB ALA 28 - HD3 LYS 31 lone 2 99 - 2 - QB ALA 28 - HD2 LYS 31 lone 2 98 - 2 - HB2 LEU 42 - HD3 LYS 24 lone 2 98 - 2 - HB2 LEU 42 - HD2 LYS 24 lone 2 97 - 2 - QB ALA 15 - HD3 LYS 24 lone 2 100 - 2 - QB ALA 15 - HD2 LYS 24 lone 2 99 - 2 - QB ALA 28 - HD3 LYS 24 lone 1 99 - 2 - QB ALA 29 - HD2 LYS 26 lone 1 100 - 1 - QB ALA 28 - HD2 LYS 24 lone 1 98 - 1 - QB ALA 29 - HD3 LYS 24 lone 1 100 - 1 - QB ALA 29 - HD2 LYS 24 lone 1 99 - 1 - QB ALA 110 - HD3 LYS 31 lone 1 100 - 1 - QB ALA 29 - HD3 LYS 26 lone 1 95 - 2 - QB ALA 110 - HD2 LYS 31 lone 1 99 - 1 - HB3 LEU 100 - HD3 LYS 31 lone 1 99 - 1 - HB3 LEU 100 - HD2 LYS 31 lone 1 98 - 1 - QB ALA 15 - HD2 LYS 26 lone 1 100 - 1 - QB ALA 15 - HD3 LYS 26 lone 1 95 - 1 - HB2 LEU 42 - HD2 LYS 26 lone 1 98 - 1 - HB2 LEU 42 - HD3 LYS 26 lone 1 92 - 1 - QB ALA 108 - HD2 LYS 26 lone 1 98 - 1 - QB ALA 108 - HD3 LYS 26 lone 1 92 - 1 - QB ALA 108 - HD3 LYS 24 lone 1 98 - 1 - QB ALA 108 - HD2 LYS 24 lone 1 97 - 1 - QB ALA 110 - HD2 LYS 26 lone 1 100 - 1 - QB ALA 109 - HD2 LYS 26 lone 1 81 - 1 - QB ALA 110 - HD3 LYS 24 lone 1 100 - 1 - QB ALA 110 - HD2 LYS 24 lone 1 99 - 1 - QB ALA 110 - HD3 LYS 26 lone 1 95 - 1 - QB ALA 109 - HD3 LYS 26 lone 1 73 - 1 - QB ALA 109 - HD3 LYS 24 lone 0 81 - 1 - QB ALA 109 - HD2 LYS 24 lone 0 79 - 1 - HB2 LEU 42 - HD3 LYS 31 lone 0 98 - 0 - HB2 LEU 42 - HD2 LYS 31 lone 0 97 - 0 - Peak 654 from cnoeabs.peaks (1.66, 1.66, 28.90 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: * HD2 LYS 26 + HD2 LYS 26 OK 100 100 - 100 HD3 LYS 31 + HD3 LYS 31 OK 100 100 - 100 HD3 LYS 24 + HD3 LYS 24 OK 100 100 - 100 HD2 LYS 31 + HD2 LYS 31 OK 99 99 - 100 HD2 LYS 24 + HD2 LYS 24 OK 99 99 - 100 HD3 LYS 26 + HD3 LYS 26 OK 94 94 - 100 Peak 655 from cnoeabs.peaks (1.66, 1.66, 28.90 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: HD2 LYS 26 + HD2 LYS 26 OK 99 99 - 100 HD3 LYS 31 + HD3 LYS 31 OK 99 99 - 100 HD3 LYS 24 + HD3 LYS 24 OK 99 99 - 100 HD2 LYS 31 + HD2 LYS 31 OK 97 97 - 100 HD2 LYS 24 + HD2 LYS 24 OK 97 97 - 100 HD3 LYS 26 + HD3 LYS 26 OK 96 96 - 100 Reference assignment not found: HD3 LYS 26 - HD2 LYS 26 Peak 656 from cnoeabs.peaks (2.97, 1.66, 28.90 ppm; 2.50 A): 10 out of 66 assignments used, quality = 1.00: HE3 LYS 31 + HD3 LYS 31 OK 75 100 - 75 - 3.0=58, 881/2.9=3...(14) HE3 LYS 31 + HD2 LYS 31 OK 75 99 - 75 - 3.0=58, 881/2.9=3...(13) HE3 LYS 26 + HD2 LYS 26 OK 73 100 - 73 - 3.0=58, 635/2.9=3...(18) * HE2 LYS 26 + HD2 LYS 26 OK 73 100 - 73 - 3.0=58, 635/2.9=3...(18) HE2 LYS 31 + HD3 LYS 31 OK 73 98 - 74 - 3.0=58, 3.7/839=3...(15) HE2 LYS 31 + HD2 LYS 31 OK 72 97 - 74 - 3.0=58, 3.7/839=3...(15) HE3 LYS 26 + HD3 LYS 26 OK 69 96 - 72 - 3.0=58, 634/2.9=3...(17) HE2 LYS 26 + HD3 LYS 26 OK 69 96 - 72 - 3.0=58, 634/2.9=3...(17) HE3 LYS 24 + HD3 LYS 24 OK 62 87 - 71 - 3.0=59, 1.8/563=4...(12) HE3 LYS 24 + HD2 LYS 24 OK 60 85 - 70 - 3.0=59, 1.8/563=4...(10) HE2 LYS 26 - HD3 LYS 31 OK 28 100 - 28 - 841/2.9=2, 3.6/632=2...(5) HE3 LYS 26 - HD3 LYS 31 OK 28 100 - 28 - 841/2.9=2, 3.6/632=2...(5) HE2 LYS 26 - HD2 LYS 31 OK 27 99 - 28 - 841/2.9=2, 3.6/632=2...(5) HE3 LYS 26 - HD2 LYS 31 OK 27 99 - 28 - 841/2.9=2, 3.6/632=2...(5) HE3 LYS 31 - HD2 LYS 26 OK 24 100 - 24 - 635/2.9=2, 3.7/839=2...(5) HE3 LYS 31 - HD3 LYS 26 OK 22 96 - 23 - 634/2.9=2, 3.7/839=2...(5) HE2 LYS 31 - HD2 LYS 26 OK 22 98 - 23 - 635/2.9=2, 3.7/839=2...(4) HE2 LYS 31 - HD3 LYS 26 OK 20 92 - 22 - 634/2.9=2, 3.7/839=2...(4) HE3 LYS 19 - HD3 LYS 31 OK 18 98 - 18 - 841/2.9=1, 830/2.9=1 HE3 LYS 31 - HD3 LYS 24 OK 18 100 - 18 - 3.7/839=1, 3.7/828=1 HE3 LYS 31 - HD2 LYS 24 OK 18 99 - 18 - 3.7/839=1, 3.7/828=1 HE3 LYS 24 - HD3 LYS 31 OK 17 87 - 20 - 1.8/563=1, 841/2.9=1, 830/2.9=1 HE3 LYS 19 - HD2 LYS 31 OK 17 97 - 17 - 841/2.9=1, 830/2.9=1 HE3 LYS 19 - HD3 LYS 24 OK 17 98 - 17 - HE3 LYS 24 - HD2 LYS 31 OK 17 85 - 20 - 1.8/563=1, 841/2.9=1, 830/2.9=1 HE3 LYS 19 - HD2 LYS 24 OK 16 97 - 16 - HE2 LYS 31 - HD3 LYS 24 OK 15 98 - 16 - 3.7/839=1, 3.7/828=1 HE2 LYS 31 - HD2 LYS 24 OK 15 97 - 16 - 3.7/839=1, 3.7/828=1 HE2 LYS 26 - HD3 LYS 24 OK 14 100 - 14 - 3.6/632=1 HE3 LYS 26 - HD3 LYS 24 OK 14 100 - 14 - 3.6/632=1 HE2 LYS 26 - HD2 LYS 24 OK 14 99 - 14 - 3.6/632=1 HE3 LYS 26 - HD2 LYS 24 OK 14 99 - 14 - 3.6/632=1 HE3 LYS 24 - HD2 LYS 26 OK 12 87 - 14 - 635/2.9=1 HE2 LYS 19 - HD3 LYS 31 OK 12 65 - 18 - HE3 LYS 19 - HD2 LYS 26 OK 11 98 - 12 - 635/2.9=1 HE2 LYS 19 - HD2 LYS 31 OK 11 64 - 18 - HE3 LYS 24 - HD3 LYS 26 OK 10 79 - 13 - 635/2.9=1 HE2 LYS 19 - HD3 LYS 24 OK 10 65 - 15 - HE3 LYS 19 - HD3 LYS 26 poor 10 92 - 11 - 635/2.9=1 HE2 LYS 19 - HD2 LYS 24 poor 10 64 - 15 - HE3 LYS 36 - HD3 LYS 24 poor 9 87 - 10 - HE3 LYS 36 - HD3 LYS 31 lone 8 87 - 10 - HE3 LYS 36 - HD2 LYS 24 lone 8 85 - 10 - HE3 LYS 36 - HD2 LYS 31 lone 8 85 - 9 - HE2 LYS 19 - HD2 LYS 26 poor 7 65 - 11 - HE2 LYS 19 - HD3 LYS 26 poor 6 58 - 11 - HE3 LYS 86 - HD3 LYS 24 lone 6 73 - 9 - 1.8/2699=1 HE3 LYS 86 - HD2 LYS 24 lone 6 71 - 9 - 1.8/2699=1 HE2 LYS 36 - HD3 LYS 31 lone 5 57 - 9 - HE2 LYS 36 - HD3 LYS 24 lone 5 57 - 9 - HE3 LYS 36 - HD2 LYS 26 lone 5 87 - 6 - HE2 LYS 36 - HD2 LYS 24 lone 5 56 - 9 - HE3 LYS 86 - HD3 LYS 31 lone 5 73 - 6 - HE2 LYS 36 - HD2 LYS 31 lone 5 56 - 8 - HE3 LYS 86 - HD2 LYS 31 lone 5 71 - 6 - HE3 LYS 36 - HD3 LYS 26 lone 4 79 - 5 - HE2 LYS 36 - HD2 LYS 26 lone 3 57 - 5 - HE3 LYS 86 - HD2 LYS 26 lone 2 73 - 3 - HE2 LYS 36 - HD3 LYS 26 lone 2 51 - 4 - HE3 LYS 86 - HD3 LYS 26 lone 2 66 - 3 - HB3 ASN 121 - HD3 LYS 31 lone 1 81 - 1 - HB3 ASN 121 - HD2 LYS 31 lone 1 79 - 1 - HB3 ASN 121 - HD2 LYS 26 lone 0 81 - 1 - HB3 ASN 121 - HD3 LYS 26 lone 0 73 - 1 - HB3 ASN 121 - HD3 LYS 24 lone 0 81 - 0 - HB3 ASN 121 - HD2 LYS 24 lone 0 79 - 0 - Peak 657 from cnoeabs.peaks (2.97, 1.66, 28.90 ppm; 2.50 A): 10 out of 66 assignments used, quality = 1.00: HE3 LYS 31 + HD3 LYS 31 OK 75 100 - 75 - 3.0=58, 881/2.9=3...(14) HE3 LYS 31 + HD2 LYS 31 OK 75 99 - 75 - 3.0=58, 881/2.9=3...(13) * HE3 LYS 26 + HD2 LYS 26 OK 73 100 - 73 - 3.0=58, 635/2.9=3...(18) HE2 LYS 26 + HD2 LYS 26 OK 73 100 - 73 - 3.0=58, 635/2.9=3...(18) HE2 LYS 31 + HD3 LYS 31 OK 73 98 - 74 - 3.0=58, 3.7/839=3...(15) HE2 LYS 31 + HD2 LYS 31 OK 72 97 - 74 - 3.0=58, 3.7/839=3...(15) HE3 LYS 26 + HD3 LYS 26 OK 69 96 - 72 - 3.0=58, 634/2.9=3...(17) HE2 LYS 26 + HD3 LYS 26 OK 69 96 - 72 - 3.0=58, 634/2.9=3...(17) HE3 LYS 24 + HD3 LYS 24 OK 62 87 - 71 - 3.0=59, 1.8/563=4...(12) HE3 LYS 24 + HD2 LYS 24 OK 60 85 - 70 - 3.0=59, 1.8/563=4...(10) HE2 LYS 26 - HD3 LYS 31 OK 28 100 - 28 - 841/2.9=2, 3.6/632=2...(5) HE3 LYS 26 - HD3 LYS 31 OK 28 100 - 28 - 841/2.9=2, 3.6/632=2...(5) HE2 LYS 26 - HD2 LYS 31 OK 27 99 - 28 - 841/2.9=2, 3.6/632=2...(5) HE3 LYS 26 - HD2 LYS 31 OK 27 99 - 28 - 841/2.9=2, 3.6/632=2...(5) HE3 LYS 31 - HD2 LYS 26 OK 24 100 - 24 - 635/2.9=2, 3.7/839=2...(5) HE3 LYS 31 - HD3 LYS 26 OK 22 96 - 23 - 634/2.9=2, 3.7/839=2...(5) HE2 LYS 31 - HD2 LYS 26 OK 22 98 - 23 - 635/2.9=2, 3.7/839=2...(4) HE2 LYS 31 - HD3 LYS 26 OK 20 92 - 22 - 634/2.9=2, 3.7/839=2...(4) HE3 LYS 19 - HD3 LYS 31 OK 18 98 - 18 - 841/2.9=1, 830/2.9=1 HE3 LYS 31 - HD3 LYS 24 OK 18 100 - 18 - 3.7/839=1, 3.7/828=1 HE3 LYS 31 - HD2 LYS 24 OK 18 99 - 18 - 3.7/839=1, 3.7/828=1 HE3 LYS 24 - HD3 LYS 31 OK 17 87 - 20 - 1.8/563=1, 841/2.9=1, 830/2.9=1 HE3 LYS 19 - HD2 LYS 31 OK 17 97 - 17 - 841/2.9=1, 830/2.9=1 HE3 LYS 19 - HD3 LYS 24 OK 17 98 - 17 - HE3 LYS 24 - HD2 LYS 31 OK 17 85 - 20 - 1.8/563=1, 841/2.9=1, 830/2.9=1 HE3 LYS 19 - HD2 LYS 24 OK 16 97 - 16 - HE2 LYS 31 - HD3 LYS 24 OK 15 98 - 16 - 3.7/839=1, 3.7/828=1 HE2 LYS 31 - HD2 LYS 24 OK 15 97 - 16 - 3.7/839=1, 3.7/828=1 HE2 LYS 26 - HD3 LYS 24 OK 14 100 - 14 - 3.6/632=1 HE3 LYS 26 - HD3 LYS 24 OK 14 100 - 14 - 3.6/632=1 HE2 LYS 26 - HD2 LYS 24 OK 14 99 - 14 - 3.6/632=1 HE3 LYS 26 - HD2 LYS 24 OK 14 99 - 14 - 3.6/632=1 HE3 LYS 24 - HD2 LYS 26 OK 12 87 - 14 - 635/2.9=1 HE2 LYS 19 - HD3 LYS 31 OK 12 65 - 18 - HE3 LYS 19 - HD2 LYS 26 OK 11 98 - 12 - 635/2.9=1 HE2 LYS 19 - HD2 LYS 31 OK 11 64 - 18 - HE3 LYS 24 - HD3 LYS 26 OK 10 79 - 13 - 635/2.9=1 HE2 LYS 19 - HD3 LYS 24 OK 10 65 - 15 - HE3 LYS 19 - HD3 LYS 26 poor 10 92 - 11 - 635/2.9=1 HE2 LYS 19 - HD2 LYS 24 poor 10 64 - 15 - HE3 LYS 36 - HD3 LYS 24 poor 9 87 - 10 - HE3 LYS 36 - HD3 LYS 31 lone 8 87 - 10 - HE3 LYS 36 - HD2 LYS 24 lone 8 85 - 10 - HE3 LYS 36 - HD2 LYS 31 lone 8 85 - 9 - HE2 LYS 19 - HD2 LYS 26 poor 7 65 - 11 - HE2 LYS 19 - HD3 LYS 26 poor 6 58 - 11 - HE3 LYS 86 - HD3 LYS 24 lone 6 73 - 9 - 1.8/2699=1 HE3 LYS 86 - HD2 LYS 24 lone 6 71 - 9 - 1.8/2699=1 HE2 LYS 36 - HD3 LYS 31 lone 5 57 - 9 - HE2 LYS 36 - HD3 LYS 24 lone 5 57 - 9 - HE3 LYS 36 - HD2 LYS 26 lone 5 87 - 6 - HE2 LYS 36 - HD2 LYS 24 lone 5 56 - 9 - HE3 LYS 86 - HD3 LYS 31 lone 5 73 - 6 - HE2 LYS 36 - HD2 LYS 31 lone 5 56 - 8 - HE3 LYS 86 - HD2 LYS 31 lone 5 71 - 6 - HE3 LYS 36 - HD3 LYS 26 lone 4 79 - 5 - HE2 LYS 36 - HD2 LYS 26 lone 3 57 - 5 - HE3 LYS 86 - HD2 LYS 26 lone 2 73 - 3 - HE2 LYS 36 - HD3 LYS 26 lone 2 51 - 4 - HE3 LYS 86 - HD3 LYS 26 lone 2 66 - 3 - HB3 ASN 121 - HD3 LYS 31 lone 1 81 - 1 - HB3 ASN 121 - HD2 LYS 31 lone 1 79 - 1 - HB3 ASN 121 - HD2 LYS 26 lone 0 81 - 1 - HB3 ASN 121 - HD3 LYS 26 lone 0 73 - 1 - HB3 ASN 121 - HD3 LYS 24 lone 0 81 - 0 - HB3 ASN 121 - HD2 LYS 24 lone 0 79 - 0 - Peak 659 from cnoeabs.peaks (8.37, 1.66, 28.90 ppm; 4.37 A): 11 out of 30 assignments used, quality = 1.00: * H LYS 26 + HD3 LYS 26 OK 90 100 - 90 - 5.7=44, 6252/2.9=24...(25) H LYS 26 + HD2 LYS 26 OK 86 96 - 90 - 5.7=44, 6252/2.9=24...(27) H LYS 24 + HD3 LYS 24 OK 84 95 - 89 - 5.9=40, 6219/5.4=22...(17) H LYS 24 + HD2 LYS 24 OK 77 86 - 89 - 5.9=40, 6219/5.4=22...(17) H LYS 26 + HD3 LYS 24 OK 64 96 - 67 - 6253/3.0=11, 6250/3.5=10...(23) H LYS 24 + HD3 LYS 26 OK 64 100 - 64 - 626/2.9=15, 6222/2.9=12...(17) H LYS 24 + HD2 LYS 26 OK 61 95 - 64 - 626/2.9=15, 6222/2.9=12...(17) H LYS 26 + HD3 LYS 31 OK 59 96 - 62 - 6252/2.9=8, 6254=6...(33) H LYS 26 + HD2 LYS 24 OK 58 87 - 67 - 6253/3.0=11, 6250/3.5=10...(23) H LYS 26 + HD2 LYS 31 OK 53 87 - 62 - 6252/2.9=8, 6254=6...(33) H LYS 24 + HD3 LYS 31 OK 48 95 - 50 - 6223/2.9=9, 3.0/486=6...(20) H LYS 24 - HD2 LYS 31 OK 43 86 - 50 - 6223/2.9=9, 3.0/486=6...(20) H GLY 14 - HD3 LYS 26 lone 5 96 - 5 - 626/2.9=1 H GLY 14 - HD2 LYS 26 lone 5 89 - 5 - 626/2.9=1 H GLY 14 - HD3 LYS 24 lone 4 89 - 4 - 512/3.0=1 H GLY 14 - HD2 LYS 24 lone 4 79 - 4 - 512/3.0=1 H GLY 14 - HD3 LYS 31 lone 1 89 - 2 - H GLY 14 - HD2 LYS 31 lone 1 79 - 2 - H THR 65 - HD3 LYS 26 lone 1 57 - 1 - H HIS 3 - HD3 LYS 26 lone 1 65 - 1 - H THR 65 - HD2 LYS 26 lone 1 51 - 1 - H HIS 3 - HD2 LYS 26 lone 1 58 - 1 - H HIS 3 - HD3 LYS 24 lone 1 58 - 1 - H THR 65 - HD3 LYS 31 lone 1 51 - 1 - H HIS 3 - HD2 LYS 24 lone 1 50 - 1 - H THR 65 - HD3 LYS 24 lone 1 51 - 1 - H THR 65 - HD2 LYS 31 lone 1 44 - 1 - H HIS 3 - HD3 LYS 31 lone 0 58 - 1 - H THR 65 - HD2 LYS 24 lone 0 44 - 1 - H HIS 3 - HD2 LYS 31 lone 0 50 - 1 - Peak 660 from cnoeabs.peaks (4.27, 1.66, 28.90 ppm; 3.04 A): 5 out of 60 assignments used, quality = 0.99: * HA LYS 26 + HD3 LYS 26 OK 75 100 - 75 - 5.0=23, 597/2.9=10...(29) HA LYS 26 + HD2 LYS 26 OK 72 96 - 75 - 5.0=23, 597/2.9=10...(31) HA LYS 26 + HD3 LYS 24 OK 47 96 - 49 - 598/3.0=4, 599=4...(19) HA LYS 26 + HD3 LYS 31 OK 46 96 - 48 - 599=4, 597/2.9=3...(19) HA LYS 31 + HD3 LYS 31 OK 46 66 - 69 - 5.2=20, 793/2.9=7...(28) HA LYS 26 - HD2 LYS 24 OK 43 87 - 49 - 598/3.0=4, 599=4...(19) HA LYS 26 - HD2 LYS 31 OK 42 87 - 48 - 599=4, 597/2.9=3...(19) HA LYS 31 - HD2 LYS 31 OK 40 57 - 70 - 5.2=20, 793/2.9=7...(28) HA LYS 19 - HD3 LYS 26 OK 36 99 - 37 - 627/2.9=5, 638/2.9=3...(10) HA LYS 19 - HD2 LYS 26 OK 36 94 - 39 - 627/2.9=5, 638/2.9=3...(12) HA LYS 19 - HD3 LYS 24 OK 36 94 - 38 - 242/3.0=3, 598/3.0=3...(10) HA LYS 19 - HD3 LYS 31 OK 35 94 - 37 - 242/2.9=3, 599=2...(13) HA LYS 31 - HD3 LYS 26 OK 33 73 - 46 - 627/2.9=4, 795=3...(16) HA LYS 19 - HD2 LYS 24 OK 32 85 - 38 - 242/3.0=3, 598/3.0=3...(10) HA LYS 19 - HD2 LYS 31 OK 31 85 - 37 - 242/2.9=3, 599=2...(13) HA LYS 31 - HD2 LYS 26 OK 30 66 - 46 - 627/2.9=4, 795=3...(16) HA LYS 31 - HD3 LYS 24 OK 28 66 - 42 - 795=3, 792/3.0=2...(14) HA LYS 31 - HD2 LYS 24 OK 24 57 - 42 - 795=3, 792/3.0=2...(14) HA LYS 36 - HD3 LYS 24 OK 19 79 - 24 - 977/3.0=3, 979/1.8=2...(6) HA LYS 36 - HD3 LYS 31 OK 16 79 - 20 - 979/1.8=2, 975/3.5=2...(6) HA LYS 36 - HD2 LYS 24 OK 12 70 - 18 - 977/3.0=3, 975/3.5=2, ~999=1 HA LYS 36 - HD3 LYS 26 OK 11 87 - 13 - 977/2.9=2, 627/2.9=2, 975/3.5=2 HA LYS 36 - HD2 LYS 26 poor 10 79 - 13 - 977/2.9=2, 627/2.9=2, 975/3.5=2 HA LYS 36 - HD2 LYS 31 poor 10 70 - 14 - 975/3.5=2, 833/2.9=1, 822/2.9=1 HB THR 115 - HD3 LYS 26 lone 6 92 - 7 - 10191/2.9=2, 11521/5.7=2 HB THR 115 - HD3 LYS 24 lone 6 84 - 7 - 10191/3.0=2, ~10196=1 HB THR 115 - HD2 LYS 26 lone 6 84 - 7 - 10191/2.9=2, 11521/5.7=2 HB THR 115 - HD2 LYS 24 lone 5 75 - 7 - 10191/3.0=2, ~10196=1 HA PHE 87 - HD3 LYS 26 lone 3 96 - 3 - HA PHE 87 - HD2 LYS 26 lone 3 89 - 3 - HA PHE 87 - HD3 LYS 24 lone 3 89 - 3 - HA PHE 87 - HD2 LYS 24 lone 3 79 - 3 - HA PHE 87 - HD3 LYS 31 lone 2 89 - 2 - HA ALA 109 - HD3 LYS 31 lone 2 66 - 3 - HA ALA 108 - HD3 LYS 31 lone 2 66 - 3 - HA PHE 87 - HD2 LYS 31 lone 2 79 - 2 - HA ALA 109 - HD2 LYS 31 lone 2 57 - 3 - HA ALA 108 - HD2 LYS 31 lone 2 57 - 3 - HA LEU 22 - HD3 LYS 31 lone 2 66 - 2 - HA LEU 22 - HD2 LYS 31 lone 1 57 - 2 - HB THR 115 - HD3 LYS 31 lone 1 84 - 1 - HB THR 115 - HD2 LYS 31 lone 1 75 - 1 - HA LEU 22 - HD3 LYS 26 lone 1 73 - 1 - HA LEU 22 - HD2 LYS 26 lone 1 66 - 1 - HA ALA 108 - HD3 LYS 26 lone 1 73 - 1 - HA ALA 109 - HD3 LYS 26 lone 1 73 - 1 - HA ALA 108 - HD2 LYS 26 lone 1 66 - 1 - HA ALA 16 - HD3 LYS 26 lone 1 81 - 1 - HA ALA 109 - HD2 LYS 26 lone 1 66 - 1 - HA ALA 16 - HD3 LYS 31 lone 1 73 - 1 - HA ALA 16 - HD2 LYS 26 lone 1 73 - 1 - HA ALA 16 - HD2 LYS 31 lone 1 64 - 1 - HA ALA 108 - HD3 LYS 24 lone 1 66 - 1 - HA LEU 22 - HD3 LYS 24 lone 1 66 - 1 - HA ALA 109 - HD3 LYS 24 lone 0 66 - 1 - HA ALA 108 - HD2 LYS 24 lone 0 57 - 1 - HA LEU 22 - HD2 LYS 24 lone 0 57 - 1 - HA ALA 109 - HD2 LYS 24 lone 0 57 - 1 - HA ALA 16 - HD3 LYS 24 lone 0 73 - 1 - HA ALA 16 - HD2 LYS 24 lone 0 64 - 1 - Peak 661 from cnoeabs.peaks (1.75, 1.66, 28.90 ppm; 3.14 A): 19 out of 36 assignments used, quality = 1.00: * HB2 LYS 26 + HD3 LYS 26 OK 93 100 - 93 - 3.5=72, 628/2.9=9...(53) HB2 LYS 26 + HD2 LYS 26 OK 89 96 - 93 - 3.5=72, 628/2.9=9...(48) HB2 LYS 24 + HD3 LYS 24 OK 85 92 - 92 - 3.5=70, 283/3.0=5...(54) HB2 LYS 24 + HD2 LYS 24 OK 76 83 - 92 - 3.5=70, 283/3.0=5...(55) HB2 LYS 31 + HD3 LYS 31 OK 68 73 - 93 - 3.5=73, 804/2.9=8...(52) HB2 LYS 26 + HD3 LYS 31 OK 61 96 - 64 - 3.0/632=4, 1.8/621=4...(31) HB2 LYS 31 + HD2 LYS 31 OK 59 64 - 93 - 3.5=73, 804/2.9=8...(52) HB2 LYS 24 + HD3 LYS 26 OK 59 98 - 60 - 628/2.9=6, 639/2.9=4...(32) HB2 LYS 24 + HD3 LYS 31 OK 58 92 - 63 - 823/2.9=3, 834/2.9=3...(32) HB2 LYS 26 + HD2 LYS 31 OK 56 87 - 65 - 3.0/632=4, 1.8/621=4...(31) HB2 LYS 24 + HD2 LYS 26 OK 56 92 - 61 - 628/2.9=6, 639/2.9=4...(32) HB2 LYS 26 + HD3 LYS 24 OK 54 96 - 57 - 1.8/621=3, 514/3.0=3...(28) HB2 LYS 24 + HD2 LYS 31 OK 52 83 - 63 - 823/2.9=3, 834/2.9=3...(32) HB2 LYS 26 + HD2 LYS 24 OK 49 87 - 57 - 1.8/621=3, 514/3.0=3...(28) HB2 LYS 31 + HD3 LYS 26 OK 49 81 - 62 - 628/2.9=4, 3.0/839=3...(26) HB2 LYS 19 + HD3 LYS 31 OK 49 96 - 51 - 823/2.9=2, 834/2.9=2...(16) HB2 LYS 19 + HD3 LYS 24 OK 49 96 - 51 - 514/3.0=3, 253/3.0=3...(22) HB2 LYS 19 + HD2 LYS 26 OK 46 96 - 48 - 628/2.9=5, 639/2.9=3...(20) HB2 LYS 31 + HD2 LYS 26 OK 45 73 - 62 - 628/2.9=4, 3.0/839=3...(28) HB2 LYS 19 - HD3 LYS 26 OK 45 100 - 45 - 628/2.9=5, 639/2.9=3...(17) HB2 LYS 19 - HD2 LYS 31 OK 44 87 - 51 - 823/2.9=2, 834/2.9=2...(16) HB2 LYS 19 - HD2 LYS 24 OK 44 87 - 51 - 514/3.0=3, 253/3.0=3...(22) HB2 LYS 31 - HD3 LYS 24 OK 43 73 - 60 - 3.0/839=3, 514/3.0=3...(28) HB2 LYS 31 - HD2 LYS 24 OK 38 64 - 59 - 3.0/839=3, 514/3.0=3...(28) HB2 ARG 23 - HD3 LYS 26 OK 13 92 - 14 - 428/3.5=3, 433/5.7=2...(4) HB2 ARG 23 - HD2 LYS 26 OK 12 84 - 14 - 428/3.5=3, 433/5.7=2...(4) HG13 ILE 129 - HD3 LYS 26 lone 8 87 - 9 - ~10483=2, ~10491=2...(4) HB2 ARG 23 - HD3 LYS 24 lone 8 84 - 9 - 6213/5.9=2, 428/3.5=1 HG13 ILE 129 - HD2 LYS 26 lone 7 79 - 9 - ~10483=2, ~10491=2...(4) HB2 ARG 23 - HD2 LYS 24 lone 7 75 - 9 - 6213/5.9=2, 428/3.5=1 HB2 ARG 23 - HD3 LYS 31 lone 3 84 - 3 - HG13 ILE 129 - HD3 LYS 31 lone 2 79 - 3 - HB2 ARG 23 - HD2 LYS 31 lone 2 75 - 3 - HG13 ILE 129 - HD2 LYS 31 lone 2 70 - 3 - HG13 ILE 129 - HD3 LYS 24 lone 1 79 - 1 - HG13 ILE 129 - HD2 LYS 24 lone 1 70 - 1 - Peak 662 from cnoeabs.peaks (1.82, 1.66, 28.90 ppm; 2.78 A): 9 out of 66 assignments used, quality = 1.00: * HB3 LYS 26 + HD3 LYS 26 OK 83 100 - 83 - 3.5=50, 619/2.9=10...(32) HB3 LYS 26 + HD2 LYS 26 OK 80 96 - 83 - 3.5=50, 619/2.9=10...(34) HB3 LYS 24 + HD3 LYS 24 OK 68 84 - 81 - 3.5=49, 3.0/486=4...(38) HB3 LYS 24 + HD2 LYS 24 OK 60 75 - 81 - 3.5=49, 3.0/486=4...(38) HB3 LYS 31 + HD3 LYS 31 OK 60 73 - 82 - 3.5=51, 3.0/839=5...(31) HB3 LYS 26 + HD3 LYS 31 OK 54 96 - 56 - 621=4, 619/2.9=3...(16) HB3 LYS 31 + HD2 LYS 31 OK 52 64 - 82 - 3.5=51, 3.0/839=5...(31) HB3 LYS 26 + HD2 LYS 31 OK 49 87 - 56 - 621=4, 619/2.9=3...(16) HB3 LYS 26 + HD3 LYS 24 OK 47 96 - 49 - 621=4, 620/3.0=3...(16) HB3 LYS 24 - HD3 LYS 26 OK 45 92 - 49 - 629/2.9=4, 3.0/486=3...(22) HB3 LYS 24 - HD3 LYS 31 OK 44 84 - 53 - 3.0/486=3, 621=2...(17) HB3 LYS 26 - HD2 LYS 24 OK 42 87 - 49 - 621=4, 620/3.0=3...(16) HB3 LYS 24 - HD2 LYS 26 OK 42 84 - 50 - 629/2.9=4, 3.0/486=3...(22) HB3 LYS 31 - HD3 LYS 26 OK 41 81 - 51 - 629/2.9=3, 3.0/839=3...(19) HB3 LYS 24 - HD2 LYS 31 OK 39 75 - 53 - 3.0/486=3, 621=2...(17) HB3 LYS 31 - HD2 LYS 26 OK 37 73 - 50 - 629/2.9=3, 3.0/839=3...(19) HB3 LYS 31 - HD3 LYS 24 OK 34 73 - 47 - 3.0/839=3, 1.8/806=2...(20) HB ILE 32 - HD3 LYS 31 OK 30 95 - 31 - 900/2.9=4, 2.1/10755=2...(12) HB3 LYS 31 - HD2 LYS 24 OK 30 64 - 47 - 3.0/839=3, 1.8/806=2...(20) HB3 LYS 19 - HD3 LYS 31 OK 29 73 - 39 - 835/2.9=2, 824/2.9=2...(10) HB3 LYS 19 - HD3 LYS 24 OK 28 73 - 38 - 515/3.0=2, ~285=2...(11) HB ILE 32 - HD2 LYS 31 OK 27 86 - 32 - 900/2.9=4, 2.1/10755=2...(12) HB3 LYS 19 - HD3 LYS 26 OK 27 81 - 34 - 629/2.9=2, ~628=2...(8) HB3 LYS 19 - HD2 LYS 26 OK 26 73 - 36 - 629/2.9=2, ~628=2...(11) HB2 LYS 36 - HD3 LYS 24 OK 26 94 - 28 - 988/3.0=2, 990/1.8=2...(8) HB3 LYS 19 - HD2 LYS 31 OK 25 64 - 39 - 835/2.9=2, 824/2.9=2...(9) HB3 LYS 19 - HD2 LYS 24 OK 24 64 - 39 - 515/3.0=2, ~285=2...(11) HB2 LYS 36 - HD3 LYS 31 OK 21 94 - 22 - 990/1.8=2, ~1002=1, ~1001=1 HB ILE 32 - HD3 LYS 26 OK 19 100 - 19 - 900/2.9=2, 2.1/10755=2...(7) HB2 LYS 36 - HD2 LYS 24 OK 18 85 - 21 - 988/3.0=2, ~999=2...(5) HB ILE 32 - HD2 LYS 26 OK 17 95 - 18 - 900/2.9=2, 2.1/10755=1...(7) HB2 LYS 36 - HD2 LYS 31 OK 14 85 - 16 - HB2 LYS 36 - HD3 LYS 26 OK 12 99 - 12 - 988/2.9=2, 629/2.9=1, ~999=1 HB ILE 32 - HD3 LYS 24 OK 11 95 - 12 - 900/3.0=2, 2.1/10755=1 HB2 LYS 36 - HD2 LYS 26 OK 11 94 - 12 - 988/2.9=2, 629/2.9=1, ~999=1 HB ILE 32 - HD2 LYS 24 OK 10 86 - 12 - 900/3.0=2 HB3 ARG 23 - HD3 LYS 26 OK 10 96 - 11 - 436/3.5=3, 442/5.7=2, 629/2.9=1 HB3 ARG 23 - HD2 LYS 26 poor 9 89 - 11 - 436/3.5=3, 442/5.7=2, 629/2.9=1 HB2 LEU 100 - HD3 LYS 26 lone 9 98 - 9 - 3.2/11389=2, 3235/2.9=1 HB2 LEU 100 - HD2 LYS 26 lone 8 92 - 9 - 3.2/11389=2, 3235/2.9=1 HB3 LEU 123 - HD3 LYS 26 lone 7 73 - 10 - ~10756=3, ~11421=1, 629/2.9=1 HB3 ARG 23 - HD3 LYS 24 lone 6 89 - 7 - 6214/5.9=2, 436/3.5=1 HB2 LEU 100 - HD3 LYS 24 lone 6 92 - 6 - 3.2/11389=1 HB3 LEU 123 - HD2 LYS 26 lone 6 65 - 9 - ~10756=3, ~11421=1, 629/2.9=1 HB3 ARG 23 - HD2 LYS 24 lone 5 79 - 7 - 6214/5.9=2, 436/3.5=1 HB2 LEU 100 - HD2 LYS 24 lone 5 83 - 6 - 3.2/11389=1 HB3 ARG 23 - HD3 LYS 31 lone 2 89 - 2 - HB3 ARG 23 - HD2 LYS 31 lone 2 79 - 2 - HB2 LEU 100 - HD3 LYS 31 lone 1 92 - 2 - HB3 LEU 123 - HD3 LYS 24 lone 1 65 - 2 - HB2 LEU 100 - HD2 LYS 31 lone 1 83 - 2 - HB3 LEU 123 - HD2 LYS 24 lone 1 56 - 2 - HB3 ARG 135 - HD3 LYS 31 lone 1 95 - 1 - HB3 ARG 135 - HD2 LYS 31 lone 1 86 - 1 - HB VAL 93 - HD3 LYS 26 lone 1 65 - 1 - HB3 ARG 135 - HD3 LYS 26 lone 1 100 - 1 - HB VAL 93 - HD2 LYS 26 lone 1 58 - 1 - HB3 ARG 135 - HD2 LYS 26 lone 1 95 - 1 - HB3 ARG 135 - HD3 LYS 24 lone 1 95 - 1 - HB3 LEU 123 - HD3 LYS 31 lone 1 65 - 1 - HB3 ARG 135 - HD2 LYS 24 lone 0 86 - 1 - HB3 LEU 123 - HD2 LYS 31 lone 0 56 - 1 - HB VAL 93 - HD3 LYS 24 lone 0 58 - 0 - HB VAL 93 - HD3 LYS 31 lone 0 58 - 0 - HB VAL 93 - HD2 LYS 24 lone 0 50 - 0 - HB VAL 93 - HD2 LYS 31 lone 0 50 - 0 - Peak 663 from cnoeabs.peaks (1.43, 1.66, 28.90 ppm; 2.50 A): 4 out of 24 assignments used, quality = 0.99: * HG2 LYS 26 + HD3 LYS 26 OK 85 100 - 85 - 2.9=65, 619/3.5=6...(28) HG2 LYS 26 + HD2 LYS 26 OK 81 96 - 85 - 2.9=65, 619/3.5=6...(25) HG2 LYS 31 + HD3 LYS 31 OK 46 58 - 79 - 2.9=61, 1.8/839=6...(18) HG2 LYS 26 + HD3 LYS 31 OK 46 96 - 48 - 632=5, 632/1.8=4...(11) HG2 LYS 26 - HD2 LYS 31 OK 42 87 - 48 - 632=5, 632/1.8=4...(12) HG2 LYS 31 - HD2 LYS 31 OK 40 50 - 79 - 2.9=61, 1.8/839=6...(18) HG2 LYS 26 - HD3 LYS 24 OK 38 96 - 40 - 632=4, 631/3.0=4...(10) HG2 LYS 26 - HD2 LYS 24 OK 35 87 - 40 - 632=4, 631/3.0=4...(10) HG2 LYS 31 - HD3 LYS 26 OK 25 65 - 38 - 1.8/839=3, 641/2.9=2...(10) HG2 LYS 31 - HD2 LYS 26 OK 22 58 - 38 - 1.8/839=3, 641/2.9=2...(10) HG2 LYS 31 - HD3 LYS 24 OK 19 58 - 33 - 1.8/839=3, ~839=2...(11) HG2 LYS 31 - HD2 LYS 24 OK 16 50 - 33 - 1.8/839=3, ~839=2...(11) HG13 ILE 32 - HD3 LYS 31 OK 16 79 - 20 - 3.2/10755=2, 921/3.5=1...(5) HG13 ILE 32 - HD2 LYS 31 OK 14 70 - 20 - 921/3.5=1, 3.2/10755=1...(5) HG13 ILE 32 - HD3 LYS 26 OK 13 87 - 15 - 619/3.5=2, 641/2.9=2...(4) HG13 ILE 32 - HD2 LYS 26 OK 12 79 - 15 - 619/3.5=2, 641/2.9=2, 608/3.5=1 QB ALA 92 - HD3 LYS 26 lone 6 98 - 6 - 11317/3.5=2 HG13 ILE 32 - HD3 LYS 24 lone 6 79 - 8 - QB ALA 92 - HD2 LYS 26 lone 6 92 - 6 - 11317/3.5=2 HG13 ILE 32 - HD2 LYS 24 lone 5 70 - 8 - QB ALA 92 - HD3 LYS 31 lone 1 92 - 1 - QB ALA 92 - HD3 LYS 24 lone 1 92 - 1 - QB ALA 92 - HD2 LYS 31 lone 1 83 - 1 - QB ALA 92 - HD2 LYS 24 lone 1 83 - 1 - Peak 664 from cnoeabs.peaks (1.38, 1.66, 28.90 ppm; 2.65 A): 6 out of 90 assignments used, quality = 1.00: * HG3 LYS 26 + HD3 LYS 26 OK 90 100 - 90 - 2.9=77, 1.8/632=7...(26) HG3 LYS 26 + HD2 LYS 26 OK 86 96 - 90 - 2.9=77, 1.8/632=7...(26) HG2 LYS 24 + HD3 LYS 24 OK 82 94 - 87 - 3.0=71, 519/1.8=5...(17) HG2 LYS 24 + HD2 LYS 24 OK 74 85 - 87 - 3.0=71, 519/1.8=5...(17) HG3 LYS 31 + HD3 LYS 31 OK 50 58 - 86 - 2.9=73, 839/1.8=3...(24) HG3 LYS 26 + HD3 LYS 31 OK 47 96 - 50 - 643=4, 1.8/632=4...(18) HG2 LYS 24 - HD3 LYS 31 OK 44 94 - 47 - 519=4, 517/2.9=3...(15) HG3 LYS 31 - HD2 LYS 31 OK 44 50 - 86 - 2.9=73, 839/1.8=3...(24) HG2 LYS 24 - HD3 LYS 26 OK 43 99 - 44 - 631/2.9=5, 519=3...(12) HG3 LYS 26 - HD2 LYS 31 OK 43 87 - 50 - 643=4, 1.8/632=4...(18) HG2 LYS 24 - HD2 LYS 26 OK 43 94 - 45 - 631/2.9=5, 519=3...(14) HG3 LYS 26 - HD3 LYS 24 OK 42 96 - 44 - 643=3, 527/3.0=3...(15) HG2 LYS 24 - HD2 LYS 31 OK 40 85 - 47 - 519=4, 517/2.9=3...(15) HG3 LYS 26 - HD2 LYS 24 OK 38 87 - 44 - 643=3, 527/3.0=3...(16) HG3 LYS 31 - HD3 LYS 26 OK 28 65 - 43 - 1.8/828=3, 631/2.9=3...(13) HG2 LYS 36 - HD3 LYS 24 OK 25 95 - 27 - 1013/1.8=2, 1014/3.0=2...(8) HG3 LYS 31 - HD2 LYS 26 OK 25 58 - 43 - 1.8/828=3, 631/2.9=3...(13) HG3 LYS 31 - HD3 LYS 24 OK 23 58 - 39 - 1.8/828=3, 839=3...(11) HG3 LYS 31 - HD2 LYS 24 OK 20 50 - 39 - 1.8/828=3, 839=3...(11) HG2 LYS 36 - HD2 LYS 24 OK 18 86 - 21 - 1014/3.0=2, 1015/3.0=2...(5) HG2 LYS 36 - HD3 LYS 31 OK 17 95 - 18 - 1013/1.8=2, 1008/3.5=1 HG2 LYS 36 - HD2 LYS 31 OK 11 86 - 13 - 1008/3.5=1 HG3 LYS 95 - HD3 LYS 31 OK 11 89 - 13 - 3006=1 HG2 LYS 36 - HD3 LYS 26 OK 11 100 - 11 - 1008/3.5=2, 631/2.9=1 HG2 LYS 95 - HD3 LYS 31 OK 10 79 - 13 - 3006=1 HG3 LYS 95 - HD2 LYS 31 OK 10 79 - 13 - 3006=1 QB ALA 15 - HD3 LYS 31 OK 10 95 - 11 - 10790/3.5=4, ~842=1, ~831=1 HG2 LYS 36 - HD2 LYS 26 OK 10 95 - 11 - 1008/3.5=2, 631/2.9=1 QB ALA 15 - HD2 LYS 31 poor 9 86 - 11 - 10790/3.5=4, ~842=1, ~831=1 HB3 LEU 100 - HD3 LYS 26 lone 9 99 - 9 - 3.2/11389=1, 3243/3.5=1 HG2 LYS 95 - HD2 LYS 31 poor 9 70 - 13 - 3006=1 HB3 LEU 100 - HD2 LYS 26 lone 9 94 - 9 - 3.2/11389=1, 3243/3.5=1 HB2 LEU 96 - HD3 LYS 31 lone 8 95 - 9 - 3070/2.9=2, 3.2/11694=2, ~3079=1 HB2 LEU 96 - HD2 LYS 31 lone 8 86 - 9 - 3070/2.9=2, 3.2/11694=2, ~3079=1 HG3 LYS 95 - HD3 LYS 26 lone 6 96 - 7 - HG3 LYS 95 - HD2 LYS 26 lone 6 89 - 7 - HB3 LEU 100 - HD3 LYS 24 lone 6 94 - 6 - HG2 LYS 95 - HD3 LYS 26 lone 6 87 - 6 - HG2 LYS 95 - HD2 LYS 26 lone 5 79 - 6 - HB3 LEU 100 - HD2 LYS 24 lone 5 85 - 6 - HG3 LYS 95 - HD3 LYS 24 lone 5 89 - 5 - HG3 LYS 95 - HD2 LYS 24 lone 4 79 - 5 - HG2 LYS 95 - HD3 LYS 24 lone 4 79 - 5 - HG2 LYS 95 - HD2 LYS 24 lone 4 70 - 5 - HB2 LEU 96 - HD3 LYS 26 lone 3 100 - 3 - HB2 LEU 96 - HD2 LYS 26 lone 3 95 - 3 - HB2 LEU 96 - HD3 LYS 24 lone 3 95 - 3 - QB ALA 28 - HD3 LYS 26 lone 3 99 - 3 - HB2 LEU 96 - HD2 LYS 24 lone 3 86 - 3 - QB ALA 108 - HD3 LYS 31 lone 2 92 - 3 - QB ALA 108 - HD2 LYS 31 lone 2 83 - 3 - QB ALA 29 - HD3 LYS 31 lone 2 95 - 2 - QB ALA 28 - HD2 LYS 26 lone 2 94 - 2 - QB ALA 29 - HD2 LYS 31 lone 2 86 - 2 - QB ALA 109 - HD3 LYS 31 lone 2 73 - 2 - QB ALA 28 - HD3 LYS 31 lone 2 94 - 2 - QB ALA 109 - HD2 LYS 31 lone 2 64 - 2 - QB ALA 29 - HD3 LYS 26 lone 2 100 - 2 - HB2 LEU 42 - HD3 LYS 24 lone 2 92 - 2 - QB ALA 15 - HD3 LYS 24 lone 2 95 - 2 - QB ALA 28 - HD2 LYS 31 lone 1 85 - 2 - QB ALA 29 - HD2 LYS 26 lone 1 95 - 1 - QB ALA 28 - HD3 LYS 24 lone 1 94 - 1 - HB2 LEU 42 - HD2 LYS 24 lone 1 83 - 2 - QB ALA 29 - HD3 LYS 24 lone 1 95 - 1 - QB ALA 15 - HD2 LYS 24 lone 1 86 - 2 - QB ALA 110 - HD3 LYS 31 lone 1 95 - 1 - QB ALA 15 - HD3 LYS 26 lone 1 100 - 1 - QB ALA 29 - HD2 LYS 24 lone 1 86 - 1 - QB ALA 28 - HD2 LYS 24 lone 1 85 - 1 - QB ALA 110 - HD2 LYS 31 lone 1 86 - 1 - QB ALA 15 - HD2 LYS 26 lone 1 95 - 1 - HB3 LEU 100 - HD3 LYS 31 lone 1 94 - 1 - HB2 LEU 42 - HD3 LYS 26 lone 1 98 - 1 - HB2 LEU 42 - HD2 LYS 26 lone 1 92 - 1 - HB3 LEU 100 - HD2 LYS 31 lone 1 85 - 1 - QB ALA 108 - HD3 LYS 26 lone 1 98 - 1 - QB ALA 108 - HD2 LYS 26 lone 1 92 - 1 - QB ALA 108 - HD3 LYS 24 lone 1 92 - 1 - QB ALA 110 - HD3 LYS 26 lone 1 100 - 1 - QB ALA 109 - HD3 LYS 26 lone 1 81 - 1 - QB ALA 110 - HD2 LYS 26 lone 1 95 - 1 - QB ALA 108 - HD2 LYS 24 lone 1 83 - 1 - QB ALA 110 - HD3 LYS 24 lone 1 95 - 1 - QB ALA 109 - HD2 LYS 26 lone 1 73 - 1 - QB ALA 110 - HD2 LYS 24 lone 1 86 - 1 - QB ALA 109 - HD3 LYS 24 lone 0 73 - 1 - QB ALA 109 - HD2 LYS 24 lone 0 64 - 1 - HB2 LEU 42 - HD3 LYS 31 lone 0 92 - 0 - HB2 LEU 42 - HD2 LYS 31 lone 0 83 - 0 - Peak 665 from cnoeabs.peaks (1.66, 1.66, 28.90 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: HD3 LYS 26 + HD3 LYS 26 OK 99 99 - 100 HD3 LYS 31 + HD3 LYS 31 OK 96 96 - 100 HD2 LYS 26 + HD2 LYS 26 OK 96 96 - 100 HD3 LYS 24 + HD3 LYS 24 OK 96 96 - 100 HD2 LYS 24 + HD2 LYS 24 OK 86 86 - 100 HD2 LYS 31 + HD2 LYS 31 OK 86 86 - 100 Reference assignment not found: HD2 LYS 26 - HD3 LYS 26 Peak 666 from cnoeabs.peaks (1.66, 1.66, 28.90 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: * HD3 LYS 26 + HD3 LYS 26 OK 100 100 - 100 HD3 LYS 31 + HD3 LYS 31 OK 94 94 - 100 HD2 LYS 26 + HD2 LYS 26 OK 94 94 - 100 HD3 LYS 24 + HD3 LYS 24 OK 94 94 - 100 HD2 LYS 24 + HD2 LYS 24 OK 83 83 - 100 HD2 LYS 31 + HD2 LYS 31 OK 83 83 - 100 Peak 667 from cnoeabs.peaks (2.97, 1.66, 28.90 ppm; 2.50 A): 10 out of 66 assignments used, quality = 1.00: * HE2 LYS 26 + HD3 LYS 26 OK 72 100 - 72 - 3.0=58, 634/2.9=3...(17) HE3 LYS 26 + HD3 LYS 26 OK 72 100 - 72 - 3.0=58, 634/2.9=3...(17) HE3 LYS 31 + HD3 LYS 31 OK 72 96 - 75 - 3.0=58, 881/2.9=3...(14) HE3 LYS 26 + HD2 LYS 26 OK 70 96 - 73 - 3.0=58, 634/2.9=3...(18) HE2 LYS 26 + HD2 LYS 26 OK 70 96 - 73 - 3.0=58, 634/2.9=3...(18) HE2 LYS 31 + HD3 LYS 31 OK 68 92 - 74 - 3.0=58, 3.7/839=3...(15) HE3 LYS 31 + HD2 LYS 31 OK 65 87 - 75 - 3.0=58, 881/2.9=3...(13) HE2 LYS 31 + HD2 LYS 31 OK 61 83 - 74 - 3.0=58, 3.7/839=3...(15) HE3 LYS 24 + HD3 LYS 24 OK 56 79 - 71 - 3.0=59, 1.8/563=4...(12) HE3 LYS 24 + HD2 LYS 24 OK 49 70 - 70 - 3.0=59, 1.8/563=4...(10) HE2 LYS 26 - HD3 LYS 31 OK 26 96 - 28 - 841/2.9=2, 3.6/632=2...(5) HE3 LYS 26 - HD3 LYS 31 OK 26 96 - 28 - 841/2.9=2, 3.6/632=2...(5) HE2 LYS 26 - HD2 LYS 31 OK 24 87 - 28 - 841/2.9=2, 3.6/632=2...(5) HE3 LYS 26 - HD2 LYS 31 OK 24 87 - 28 - 841/2.9=2, 3.6/632=2...(5) HE3 LYS 31 - HD3 LYS 26 OK 23 100 - 23 - 635/2.9=2, 3.7/839=2...(5) HE3 LYS 31 - HD2 LYS 26 OK 23 96 - 24 - 635/2.9=2, 3.7/839=2...(5) HE2 LYS 31 - HD3 LYS 26 OK 21 98 - 22 - 634/2.9=2, 3.7/839=2...(4) HE2 LYS 31 - HD2 LYS 26 OK 21 92 - 22 - 635/2.9=2, 3.7/839=2...(4) HE3 LYS 31 - HD3 LYS 24 OK 17 96 - 18 - 3.7/839=1, 3.7/828=1 HE3 LYS 19 - HD3 LYS 31 OK 17 92 - 18 - 841/2.9=1, 830/2.9=1 HE3 LYS 24 - HD3 LYS 31 OK 16 79 - 20 - 841/2.9=1, 1.8/563=1, 830/2.9=1 HE3 LYS 19 - HD3 LYS 24 OK 16 92 - 17 - HE3 LYS 31 - HD2 LYS 24 OK 15 87 - 18 - 3.7/839=1, 3.7/828=1 HE2 LYS 31 - HD3 LYS 24 OK 14 92 - 16 - 3.7/839=1, 3.7/828=1 HE3 LYS 19 - HD2 LYS 31 OK 14 83 - 17 - 841/2.9=1, 830/2.9=1 HE2 LYS 26 - HD3 LYS 24 OK 14 96 - 14 - 3.6/632=1 HE3 LYS 26 - HD3 LYS 24 OK 14 96 - 14 - 3.6/632=1 HE3 LYS 24 - HD2 LYS 31 OK 14 70 - 20 - 1.8/563=1, 841/2.9=1, 830/2.9=1 HE3 LYS 19 - HD2 LYS 24 OK 13 83 - 16 - HE2 LYS 31 - HD2 LYS 24 OK 13 83 - 16 - 3.7/839=1, 3.7/828=1 HE3 LYS 26 - HD2 LYS 24 OK 12 87 - 14 - 3.6/632=1 HE2 LYS 26 - HD2 LYS 24 OK 12 87 - 14 - 3.6/632=1 HE3 LYS 24 - HD3 LYS 26 OK 11 87 - 13 - 634/2.9=1 HE3 LYS 19 - HD3 LYS 26 OK 11 98 - 11 - 635/2.9=1 HE3 LYS 24 - HD2 LYS 26 OK 11 79 - 14 - 634/2.9=1 HE3 LYS 19 - HD2 LYS 26 OK 11 92 - 12 - 634/2.9=1 HE2 LYS 19 - HD3 LYS 31 OK 11 58 - 18 - HE2 LYS 19 - HD3 LYS 24 poor 9 58 - 15 - HE2 LYS 19 - HD2 LYS 31 poor 9 50 - 18 - HE3 LYS 36 - HD3 LYS 24 lone 8 79 - 10 - HE3 LYS 36 - HD3 LYS 31 lone 8 79 - 10 - HE2 LYS 19 - HD2 LYS 24 poor 8 50 - 15 - HE2 LYS 19 - HD3 LYS 26 poor 7 65 - 11 - HE3 LYS 36 - HD2 LYS 24 lone 7 70 - 10 - HE2 LYS 19 - HD2 LYS 26 poor 7 58 - 11 - HE3 LYS 36 - HD2 LYS 31 lone 6 70 - 9 - HE3 LYS 86 - HD3 LYS 24 lone 6 66 - 9 - 1.8/2699=1 HE3 LYS 86 - HD2 LYS 24 lone 5 57 - 9 - 1.8/2699=1 HE3 LYS 36 - HD3 LYS 26 lone 5 87 - 5 - HE3 LYS 36 - HD2 LYS 26 lone 4 79 - 6 - HE2 LYS 36 - HD3 LYS 31 lone 4 51 - 9 - HE2 LYS 36 - HD3 LYS 24 lone 4 51 - 9 - HE3 LYS 86 - HD3 LYS 31 lone 4 66 - 6 - HE2 LYS 36 - HD2 LYS 24 lone 4 44 - 8 - HE3 LYS 86 - HD2 LYS 31 lone 4 57 - 6 - HE2 LYS 36 - HD2 LYS 31 lone 4 44 - 8 - HE2 LYS 36 - HD3 LYS 26 lone 3 57 - 4 - HE3 LYS 86 - HD3 LYS 26 lone 2 73 - 3 - HE2 LYS 36 - HD2 LYS 26 lone 2 51 - 5 - HE3 LYS 86 - HD2 LYS 26 lone 2 66 - 3 - HB3 ASN 121 - HD3 LYS 31 lone 1 73 - 1 - HB3 ASN 121 - HD3 LYS 26 lone 0 81 - 1 - HB3 ASN 121 - HD2 LYS 31 lone 0 64 - 1 - HB3 ASN 121 - HD2 LYS 26 lone 0 73 - 1 - HB3 ASN 121 - HD3 LYS 24 lone 0 73 - 0 - HB3 ASN 121 - HD2 LYS 24 lone 0 64 - 0 - Peak 668 from cnoeabs.peaks (2.97, 1.66, 28.90 ppm; 2.50 A): 10 out of 66 assignments used, quality = 1.00: HE2 LYS 26 + HD3 LYS 26 OK 72 100 - 72 - 3.0=58, 634/2.9=3...(17) * HE3 LYS 26 + HD3 LYS 26 OK 72 100 - 72 - 3.0=58, 634/2.9=3...(17) HE3 LYS 31 + HD3 LYS 31 OK 72 96 - 75 - 3.0=58, 881/2.9=3...(14) HE3 LYS 26 + HD2 LYS 26 OK 70 96 - 73 - 3.0=58, 634/2.9=3...(18) HE2 LYS 26 + HD2 LYS 26 OK 70 96 - 73 - 3.0=58, 634/2.9=3...(18) HE2 LYS 31 + HD3 LYS 31 OK 68 92 - 74 - 3.0=58, 3.7/839=3...(15) HE3 LYS 31 + HD2 LYS 31 OK 65 87 - 75 - 3.0=58, 881/2.9=3...(13) HE2 LYS 31 + HD2 LYS 31 OK 61 83 - 74 - 3.0=58, 3.7/839=3...(15) HE3 LYS 24 + HD3 LYS 24 OK 56 79 - 71 - 3.0=59, 1.8/563=4...(12) HE3 LYS 24 + HD2 LYS 24 OK 49 70 - 70 - 3.0=59, 1.8/563=4...(10) HE2 LYS 26 - HD3 LYS 31 OK 26 96 - 28 - 841/2.9=2, 3.6/632=2...(5) HE3 LYS 26 - HD3 LYS 31 OK 26 96 - 28 - 841/2.9=2, 3.6/632=2...(5) HE2 LYS 26 - HD2 LYS 31 OK 24 87 - 28 - 841/2.9=2, 3.6/632=2...(5) HE3 LYS 26 - HD2 LYS 31 OK 24 87 - 28 - 841/2.9=2, 3.6/632=2...(5) HE3 LYS 31 - HD3 LYS 26 OK 23 100 - 23 - 635/2.9=2, 3.7/839=2...(5) HE3 LYS 31 - HD2 LYS 26 OK 23 96 - 24 - 635/2.9=2, 3.7/839=2...(5) HE2 LYS 31 - HD3 LYS 26 OK 21 98 - 22 - 634/2.9=2, 3.7/839=2...(4) HE2 LYS 31 - HD2 LYS 26 OK 21 92 - 22 - 635/2.9=2, 3.7/839=2...(4) HE3 LYS 31 - HD3 LYS 24 OK 17 96 - 18 - 3.7/839=1, 3.7/828=1 HE3 LYS 19 - HD3 LYS 31 OK 17 92 - 18 - 841/2.9=1, 830/2.9=1 HE3 LYS 24 - HD3 LYS 31 OK 16 79 - 20 - 841/2.9=1, 1.8/563=1, 830/2.9=1 HE3 LYS 19 - HD3 LYS 24 OK 16 92 - 17 - HE3 LYS 31 - HD2 LYS 24 OK 15 87 - 18 - 3.7/839=1, 3.7/828=1 HE2 LYS 31 - HD3 LYS 24 OK 14 92 - 16 - 3.7/839=1, 3.7/828=1 HE3 LYS 19 - HD2 LYS 31 OK 14 83 - 17 - 841/2.9=1, 830/2.9=1 HE2 LYS 26 - HD3 LYS 24 OK 14 96 - 14 - 3.6/632=1 HE3 LYS 26 - HD3 LYS 24 OK 14 96 - 14 - 3.6/632=1 HE3 LYS 24 - HD2 LYS 31 OK 14 70 - 20 - 1.8/563=1, 841/2.9=1, 830/2.9=1 HE3 LYS 19 - HD2 LYS 24 OK 13 83 - 16 - HE2 LYS 31 - HD2 LYS 24 OK 13 83 - 16 - 3.7/839=1, 3.7/828=1 HE3 LYS 26 - HD2 LYS 24 OK 12 87 - 14 - 3.6/632=1 HE2 LYS 26 - HD2 LYS 24 OK 12 87 - 14 - 3.6/632=1 HE3 LYS 24 - HD3 LYS 26 OK 11 87 - 13 - 634/2.9=1 HE3 LYS 19 - HD3 LYS 26 OK 11 98 - 11 - 635/2.9=1 HE3 LYS 24 - HD2 LYS 26 OK 11 79 - 14 - 634/2.9=1 HE3 LYS 19 - HD2 LYS 26 OK 11 92 - 12 - 634/2.9=1 HE2 LYS 19 - HD3 LYS 31 OK 11 58 - 18 - HE2 LYS 19 - HD3 LYS 24 poor 9 58 - 15 - HE2 LYS 19 - HD2 LYS 31 poor 9 50 - 18 - HE3 LYS 36 - HD3 LYS 24 lone 8 79 - 10 - HE3 LYS 36 - HD3 LYS 31 lone 8 79 - 10 - HE2 LYS 19 - HD2 LYS 24 poor 8 50 - 15 - HE2 LYS 19 - HD3 LYS 26 poor 7 65 - 11 - HE3 LYS 36 - HD2 LYS 24 lone 7 70 - 10 - HE2 LYS 19 - HD2 LYS 26 poor 7 58 - 11 - HE3 LYS 36 - HD2 LYS 31 lone 6 70 - 9 - HE3 LYS 86 - HD3 LYS 24 lone 6 66 - 9 - 1.8/2699=1 HE3 LYS 86 - HD2 LYS 24 lone 5 57 - 9 - 1.8/2699=1 HE3 LYS 36 - HD3 LYS 26 lone 5 87 - 5 - HE3 LYS 36 - HD2 LYS 26 lone 4 79 - 6 - HE2 LYS 36 - HD3 LYS 31 lone 4 51 - 9 - HE2 LYS 36 - HD3 LYS 24 lone 4 51 - 9 - HE3 LYS 86 - HD3 LYS 31 lone 4 66 - 6 - HE2 LYS 36 - HD2 LYS 24 lone 4 44 - 8 - HE3 LYS 86 - HD2 LYS 31 lone 4 57 - 6 - HE2 LYS 36 - HD2 LYS 31 lone 4 44 - 8 - HE2 LYS 36 - HD3 LYS 26 lone 3 57 - 4 - HE3 LYS 86 - HD3 LYS 26 lone 2 73 - 3 - HE2 LYS 36 - HD2 LYS 26 lone 2 51 - 5 - HE3 LYS 86 - HD2 LYS 26 lone 2 66 - 3 - HB3 ASN 121 - HD3 LYS 31 lone 1 73 - 1 - HB3 ASN 121 - HD3 LYS 26 lone 0 81 - 1 - HB3 ASN 121 - HD2 LYS 31 lone 0 64 - 1 - HB3 ASN 121 - HD2 LYS 26 lone 0 73 - 1 - HB3 ASN 121 - HD3 LYS 24 lone 0 73 - 0 - HB3 ASN 121 - HD2 LYS 24 lone 0 64 - 0 - Peak 671 from cnoeabs.peaks (4.27, 2.97, 41.80 ppm; 3.67 A): 5 out of 50 assignments used, quality = 0.99: * HA LYS 26 + HE2 LYS 26 OK 68 100 - 68 - 6.6=17, 627/3.6=11...(27) HA LYS 26 + HE3 LYS 26 OK 68 100 - 68 - 6.6=17, 627/3.6=11...(27) HA LYS 19 + HE3 LYS 19 OK 65 85 - 77 - 6.4=19, 241/3.8=17...(33) HA LYS 31 + HE3 LYS 31 OK 49 73 - 66 - 6.5=18, 793/3.7=8...(26) HA LYS 26 + HE3 LYS 31 OK 46 100 - 46 - 597/3.7=4, 4.0/635=3...(17) HA LYS 19 - HE2 LYS 26 OK 42 99 - 42 - 627/3.6=6, 638/3.6=4...(14) HA LYS 19 - HE3 LYS 26 OK 42 99 - 42 - 627/3.6=6, 638/3.6=4...(14) HA LYS 26 - HE2 LYS 31 OK 38 87 - 44 - 597/3.7=4, 4.0/635=3...(17) HA LYS 31 - HE2 LYS 31 OK 37 57 - 65 - 6.5=18, 793/3.7=8...(28) HA LYS 26 - HE3 LYS 19 OK 36 87 - 42 - 241/3.8=8, 304/2.9=4...(16) HA LYS 19 - HE3 LYS 31 OK 35 99 - 36 - 242/3.7=3, 4.2/329=2...(11) HA LYS 31 - HE3 LYS 26 OK 35 73 - 47 - 627/3.6=5, 3.8/841=3...(19) HA LYS 31 - HE2 LYS 26 OK 35 73 - 47 - 627/3.6=5, 3.8/841=3...(19) HA LYS 19 - HE2 LYS 31 OK 29 85 - 34 - 242/3.7=3, 4.2/329=2...(10) HA LYS 36 - HE3 LYS 31 OK 21 87 - 25 - 980/3.0=2, 975/4.8=2...(11) HA LYS 31 - HE3 LYS 19 OK 20 57 - 35 - 271/3.8=3, 792/3.8=2...(11) HA LYS 36 - HE2 LYS 31 OK 16 70 - 23 - 980/3.0=2, 975/4.8=2...(10) HA LYS 36 - HE3 LYS 26 OK 12 87 - 13 - 977/3.6=3, 627/3.6=2, 975/4.8=1 HA LYS 36 - HE2 LYS 26 OK 12 87 - 13 - 977/3.6=3, 627/3.6=2, 975/4.8=1 HA LYS 36 - HE3 LYS 19 OK 11 70 - 16 - ~1053=1, 4.1/1015=1...(4) HB THR 115 - HE2 LYS 26 lone 7 92 - 8 - 10191/3.6=2, 11521/7.1=2 HB THR 115 - HE3 LYS 26 lone 7 92 - 8 - 10191/3.6=2, 11521/7.1=2 HA PHE 87 - HE3 LYS 19 lone 6 79 - 8 - 9841/2.9=2, 9841/2.9=2, ~9834=1 HA PHE 87 - HE3 LYS 26 lone 3 96 - 3 - HA PHE 87 - HE2 LYS 26 lone 3 96 - 3 - HA ALA 108 - HE3 LYS 31 lone 2 73 - 3 - HA ALA 109 - HE3 LYS 31 lone 2 73 - 3 - HB THR 115 - HE3 LYS 31 lone 2 92 - 2 - HB THR 115 - HE3 LYS 19 lone 2 75 - 2 - HA ALA 108 - HE2 LYS 31 lone 2 57 - 3 - HA ALA 109 - HE2 LYS 31 lone 2 57 - 3 - HA PHE 87 - HE3 LYS 31 lone 1 96 - 2 - HB THR 115 - HE2 LYS 31 lone 1 75 - 2 - HA LEU 22 - HE3 LYS 31 lone 1 73 - 2 - HA LEU 22 - HE2 LYS 26 lone 1 73 - 2 - HA LEU 22 - HE3 LYS 26 lone 1 73 - 2 - HA PHE 87 - HE2 LYS 31 lone 1 79 - 1 - HA ALA 108 - HE3 LYS 26 lone 1 73 - 1 - HA ALA 108 - HE2 LYS 26 lone 1 73 - 1 - HA LEU 22 - HE2 LYS 31 lone 1 57 - 2 - HA ALA 109 - HE2 LYS 26 lone 1 73 - 1 - HA ALA 109 - HE3 LYS 26 lone 1 73 - 1 - HA ALA 16 - HE3 LYS 26 lone 1 81 - 1 - HA ALA 16 - HE2 LYS 26 lone 1 81 - 1 - HA ALA 16 - HE3 LYS 31 lone 1 81 - 1 - HA ALA 16 - HE2 LYS 31 lone 1 64 - 1 - HA ALA 108 - HE3 LYS 19 lone 1 57 - 1 - HA LEU 22 - HE3 LYS 19 lone 1 57 - 1 - HA ALA 16 - HE3 LYS 19 lone 0 64 - 1 - HA ALA 109 - HE3 LYS 19 lone 0 57 - 1 - Peak 672 from cnoeabs.peaks (1.75, 2.97, 41.80 ppm; 3.12 A): 6 out of 30 assignments used, quality = 1.00: * HB2 LYS 26 + HE2 LYS 26 OK 71 100 - 71 - 4.8=28, 628/3.6=7...(32) HB2 LYS 26 + HE3 LYS 26 OK 71 100 - 71 - 4.8=28, 628/3.6=7...(32) HB2 LYS 19 + HE3 LYS 19 OK 65 87 - 75 - 5.1=23, 252/3.8=11...(42) HB2 LYS 31 + HE3 LYS 31 OK 59 81 - 73 - 4.8=27, 804/3.7=6...(33) HB2 LYS 26 + HE3 LYS 31 OK 46 100 - 46 - 3.0/634=3, 1.8/623=2...(20) HB2 LYS 31 + HE2 LYS 31 OK 45 64 - 71 - 4.8=27, 804/3.7=6...(30) HB2 LYS 24 - HE3 LYS 31 OK 40 98 - 41 - 823/3.7=3, 834/3.7=3...(8) HB2 LYS 31 - HE2 LYS 26 OK 39 81 - 49 - 628/3.6=3, 3.0/841=3...(17) HB2 LYS 31 - HE3 LYS 26 OK 39 81 - 49 - 628/3.6=3, 3.0/841=3...(17) HB2 LYS 24 - HE3 LYS 26 OK 39 98 - 40 - 628/3.6=4, 639/3.6=3...(11) HB2 LYS 24 - HE2 LYS 26 OK 39 98 - 40 - 628/3.6=4, 639/3.6=3...(11) HB2 LYS 26 - HE2 LYS 31 OK 38 87 - 44 - 3.0/634=3, 1.8/623=2...(19) HB2 LYS 19 - HE2 LYS 26 OK 36 100 - 36 - 628/3.6=4, 639/3.6=2...(9) HB2 LYS 19 - HE3 LYS 26 OK 36 100 - 36 - 628/3.6=4, 639/3.6=2...(9) HB2 LYS 19 - HE3 LYS 31 OK 34 100 - 34 - 3.0/329=2, 823/3.7=2...(10) HB2 LYS 24 - HE3 LYS 19 OK 34 83 - 41 - 252/3.8=5, 305/2.9=3...(17) HB2 LYS 24 - HE2 LYS 31 OK 31 83 - 37 - 823/3.7=3, 834/3.7=3...(7) HB2 LYS 26 - HE3 LYS 19 OK 30 87 - 34 - 252/3.8=4, 305/2.9=3...(7) HB2 LYS 19 - HE2 LYS 31 OK 28 87 - 32 - 3.0/329=3, 823/3.7=2...(8) HB2 LYS 31 - HE3 LYS 19 OK 23 64 - 36 - 272/3.8=3, 305/2.9=2...(11) HB2 ARG 23 - HE3 LYS 26 lone 7 92 - 8 - 428/4.8=2, 628/3.6=2...(4) HB2 ARG 23 - HE2 LYS 26 lone 7 92 - 8 - 428/4.8=2, 628/3.6=2...(4) HG13 ILE 129 - HE2 LYS 26 lone 2 87 - 3 - 628/3.6=1 HG13 ILE 129 - HE3 LYS 26 lone 2 87 - 3 - 628/3.6=1 HB2 ARG 23 - HE3 LYS 19 lone 2 75 - 2 - HB2 ARG 23 - HE3 LYS 31 lone 1 92 - 1 - HG13 ILE 129 - HE3 LYS 31 lone 1 87 - 1 - HB2 ARG 23 - HE2 LYS 31 lone 1 75 - 1 - HG13 ILE 129 - HE2 LYS 31 lone 1 70 - 1 - HG13 ILE 129 - HE3 LYS 19 lone 1 70 - 1 - Peak 673 from cnoeabs.peaks (1.82, 2.97, 41.80 ppm; 3.24 A): 6 out of 55 assignments used, quality = 1.00: * HB3 LYS 26 + HE2 LYS 26 OK 78 100 - 78 - 4.8=31, 619/3.6=11...(38) HB3 LYS 26 + HE3 LYS 26 OK 78 100 - 78 - 4.8=31, 619/3.6=11...(38) HB3 LYS 31 + HE3 LYS 31 OK 62 81 - 76 - 4.8=30, 3.0/881=5...(37) HB3 LYS 26 + HE3 LYS 31 OK 52 100 - 52 - 3.0/635=3, 619/3.7=3...(18) HB3 LYS 19 + HE3 LYS 19 OK 48 64 - 76 - 5.1=26, 3.0/329=8...(42) HB3 LYS 31 + HE2 LYS 31 OK 47 64 - 74 - 4.8=30, 3.0/841=5...(37) HB3 LYS 26 - HE2 LYS 31 OK 44 87 - 51 - 619/3.7=3, 3.0/634=3...(20) HB3 LYS 24 - HE3 LYS 31 OK 40 92 - 44 - 835/3.7=3, 824/3.7=2...(14) HB3 LYS 31 - HE3 LYS 26 OK 40 81 - 50 - 3.0/841=3, 629/3.6=3...(21) HB3 LYS 31 - HE2 LYS 26 OK 40 81 - 50 - 3.0/841=3, 629/3.6=3...(21) HB3 LYS 24 - HE3 LYS 26 OK 39 92 - 43 - 629/3.6=4, 640/3.6=2...(14) HB3 LYS 24 - HE2 LYS 26 OK 39 92 - 43 - 629/3.6=4, 640/3.6=2...(14) HB ILE 32 - HE3 LYS 31 OK 36 100 - 36 - 2.1/10757=8, 900/3.7=4...(14) HB3 LYS 26 - HE3 LYS 19 OK 31 87 - 36 - 3.0/634=2, 623=2...(19) HB3 LYS 24 - HE2 LYS 31 OK 31 75 - 41 - 835/3.7=3, 824/3.7=2...(17) HB3 LYS 24 - HE3 LYS 19 OK 30 75 - 41 - 263/3.8=3, 306/2.9=2...(25) HB3 LYS 19 - HE3 LYS 26 OK 30 81 - 37 - 629/3.6=2, 3.0/329=2...(8) HB3 LYS 19 - HE2 LYS 26 OK 30 81 - 37 - 629/3.6=2, 3.0/329=2...(8) HB3 LYS 19 - HE3 LYS 31 OK 29 81 - 36 - 3.0/329=3, 835/3.7=2...(9) HB ILE 32 - HE2 LYS 31 OK 29 86 - 33 - 2.1/10757=6, ~10757=5...(11) HB2 LYS 36 - HE3 LYS 31 OK 27 99 - 27 - ~1064=2, 990/3.0=1...(8) HB ILE 32 - HE2 LYS 26 OK 26 100 - 26 - 2.1/10757=5, ~10757=3...(9) HB ILE 32 - HE3 LYS 26 OK 26 100 - 26 - 2.1/10757=5, ~10757=3...(9) HB3 LYS 31 - HE3 LYS 19 OK 22 64 - 35 - 263/3.8=3, 3.0/841=2...(13) HB3 LYS 19 - HE2 LYS 31 OK 22 64 - 34 - 3.0/329=3, 835/3.7=2...(7) HB2 LYS 36 - HE2 LYS 31 OK 20 85 - 24 - 991/3.0=1, ~1002=1...(7) HB2 LYS 36 - HE3 LYS 19 OK 16 85 - 19 - ~1053=1, ~1064=1...(5) HB ILE 32 - HE3 LYS 19 OK 15 86 - 17 - 900/3.8=3, 2.1/10757=3...(6) HB2 LYS 36 - HE2 LYS 26 OK 12 99 - 12 - 988/3.6=2, 629/3.6=1 HB2 LYS 36 - HE3 LYS 26 OK 12 99 - 12 - 988/3.6=2, 629/3.6=1 HB3 ARG 23 - HE3 LYS 26 lone 8 96 - 8 - 436/4.8=2, 629/3.6=2, 442/7.1=1 HB3 ARG 23 - HE2 LYS 26 lone 8 96 - 8 - 436/4.8=2, 629/3.6=2, 442/7.1=1 HB2 LEU 100 - HE2 LYS 26 lone 5 98 - 5 - 3235/3.6=1 HB2 LEU 100 - HE3 LYS 26 lone 5 98 - 5 - 3235/3.6=1 HB3 LEU 123 - HE2 LYS 26 lone 5 73 - 7 - 629/3.6=1, 3.2/10705=1 HB3 LEU 123 - HE3 LYS 26 lone 5 73 - 7 - 629/3.6=1, 3.2/10705=1 HB3 LEU 123 - HE3 LYS 19 lone 4 56 - 7 - 3.2/10705=2 HB3 ARG 23 - HE3 LYS 19 lone 1 79 - 2 - HB2 LEU 100 - HE3 LYS 31 lone 1 98 - 1 - HB3 ARG 23 - HE3 LYS 31 lone 1 96 - 1 - HB2 LEU 100 - HE2 LYS 31 lone 1 83 - 1 - HB3 LEU 123 - HE3 LYS 31 lone 1 73 - 1 - HB3 ARG 23 - HE2 LYS 31 lone 1 79 - 1 - HB2 LEU 100 - HE3 LYS 19 lone 1 83 - 1 - HB3 ARG 135 - HE3 LYS 26 lone 1 100 - 1 - HB3 ARG 135 - HE2 LYS 26 lone 1 100 - 1 - HB3 LEU 123 - HE2 LYS 31 lone 1 56 - 1 - HB3 ARG 135 - HE3 LYS 31 lone 1 100 - 1 - HB3 ARG 135 - HE2 LYS 31 lone 1 86 - 1 - HB3 ARG 135 - HE3 LYS 19 lone 0 86 - 1 - HB VAL 93 - HE2 LYS 26 lone 0 65 - 1 - HB VAL 93 - HE3 LYS 26 lone 0 65 - 1 - HB VAL 93 - HE3 LYS 19 lone 0 50 - 1 - HB VAL 93 - HE3 LYS 31 lone 0 65 - 0 - HB VAL 93 - HE2 LYS 31 lone 0 50 - 0 - Peak 674 from cnoeabs.peaks (1.43, 2.97, 41.80 ppm; 2.64 A): 4 out of 20 assignments used, quality = 0.97: HG2 LYS 26 + HE3 LYS 26 OK 71 100 - 71 - 3.6=39, 635/1.8=5...(17) * HG2 LYS 26 + HE2 LYS 26 OK 71 100 - 71 - 3.6=39, 635/1.8=5...(17) HG2 LYS 31 + HE3 LYS 31 OK 43 65 - 66 - 3.7=37, 1.8/881=5...(15) HG2 LYS 26 + HE3 LYS 31 OK 39 100 - 39 - 634=4, 635/1.8=3...(11) HG2 LYS 31 - HE2 LYS 31 OK 32 50 - 64 - 3.7=37, 1.8/881=4...(15) HG2 LYS 26 - HE2 LYS 31 OK 32 87 - 37 - 634=3, 634/1.8=3...(11) HG2 LYS 31 - HE3 LYS 26 OK 21 65 - 32 - 1.8/881=3, 641/3.6=2...(11) HG2 LYS 31 - HE2 LYS 26 OK 21 65 - 32 - 1.8/881=3, 641/3.6=2...(11) HG2 LYS 26 - HE3 LYS 19 OK 20 87 - 23 - 634=2, 1.8/645=1...(4) HG13 ILE 32 - HE3 LYS 31 OK 17 87 - 20 - 3.2/10757=4, ~10903=2...(7) HG13 ILE 32 - HE3 LYS 26 OK 13 87 - 15 - 3.2/10757=3, 2.1/9008=2...(8) HG13 ILE 32 - HE2 LYS 26 OK 13 87 - 15 - 3.2/10757=3, 2.1/9008=2...(8) HG13 ILE 32 - HE2 LYS 31 OK 12 70 - 17 - 3.2/10757=3, 2.1/10804=2...(6) HG2 LYS 31 - HE3 LYS 19 poor 10 50 - 19 - 1.8/841=2 HG13 ILE 32 - HE3 LYS 19 lone 6 70 - 8 - 3.2/10757=1, ~10903=1 QB ALA 92 - HE2 LYS 26 lone 4 98 - 4 - 11317/4.8=1 QB ALA 92 - HE3 LYS 26 lone 4 98 - 4 - 11317/4.8=1 QB ALA 92 - HE3 LYS 19 lone 3 83 - 3 - QB ALA 92 - HE3 LYS 31 lone 1 98 - 1 - QB ALA 92 - HE2 LYS 31 lone 1 83 - 1 - Peak 675 from cnoeabs.peaks (1.38, 2.97, 41.80 ppm; 2.67 A): 3 out of 75 assignments used, quality = 0.95: HG3 LYS 26 + HE3 LYS 26 OK 70 100 - 70 - 3.6=40, 1.8/685=5...(19) * HG3 LYS 26 + HE2 LYS 26 OK 70 100 - 70 - 3.6=40, 1.8/685=5...(19) HG3 LYS 31 + HE3 LYS 31 OK 44 65 - 67 - 3.7=38, 1.8/830=4...(16) HG3 LYS 26 - HE3 LYS 31 OK 36 100 - 37 - 1.8/634=3, 645=2...(13) HG3 LYS 31 - HE2 LYS 31 OK 33 50 - 65 - 3.7=38, 1.8/830=4...(13) HG2 LYS 24 - HE3 LYS 31 OK 31 99 - 32 - 517/3.7=2, 519/3.0=2...(6) HG3 LYS 26 - HE2 LYS 31 OK 31 87 - 36 - 1.8/635=3, 646=2...(13) HG2 LYS 24 - HE3 LYS 26 OK 30 99 - 30 - 631/3.6=3, 519/3.0=1...(8) HG2 LYS 24 - HE2 LYS 26 OK 30 99 - 30 - 631/3.6=3, 519/3.0=1...(8) HG2 LYS 24 - HE3 LYS 19 OK 27 85 - 31 - 520/1.8=3, 517/3.8=3...(11) HG2 LYS 24 - HE2 LYS 31 OK 24 85 - 29 - 517/3.7=2, 519/3.0=2...(6) HG3 LYS 31 - HE2 LYS 26 OK 22 65 - 33 - 1.8/830=2, 631/3.6=2...(10) HG3 LYS 31 - HE3 LYS 26 OK 22 65 - 33 - 1.8/830=2, 631/3.6=2...(10) HG3 LYS 26 - HE3 LYS 19 OK 18 87 - 21 - 1.8/634=2, 645=2...(4) HG2 LYS 36 - HE3 LYS 31 OK 17 100 - 17 - 1015/1.8=1, 1015=1, 1013/3.0=1 HG2 LYS 36 - HE2 LYS 31 OK 13 86 - 15 - 1015/1.8=1, 1015=1...(4) HG2 LYS 36 - HE3 LYS 19 OK 12 86 - 14 - 1014/1.8=1, 1015=1 HG3 LYS 31 - HE3 LYS 19 OK 12 50 - 23 - 1.8/830=2, ~561=1 HG2 LYS 36 - HE2 LYS 26 lone 8 100 - 8 - 631/3.6=1 HG2 LYS 36 - HE3 LYS 26 lone 8 100 - 8 - 631/3.6=1 HB2 LEU 96 - HE3 LYS 31 lone 5 100 - 5 - 3070/3.7=1 HG3 LYS 95 - HE3 LYS 31 lone 4 96 - 5 - HG2 LYS 95 - HE3 LYS 31 lone 4 87 - 5 - QB ALA 15 - HE3 LYS 31 lone 4 100 - 4 - 10790/4.8=2 HG3 LYS 95 - HE2 LYS 31 lone 4 79 - 5 - HB3 LEU 100 - HE3 LYS 26 lone 4 99 - 4 - HB3 LEU 100 - HE2 LYS 26 lone 4 99 - 4 - HB2 LEU 96 - HE2 LYS 31 lone 4 86 - 4 - 3070/3.7=1 QB ALA 15 - HE2 LYS 31 lone 3 86 - 4 - 10790/4.8=2 HG2 LYS 95 - HE2 LYS 31 lone 3 70 - 5 - HG3 LYS 95 - HE2 LYS 26 lone 3 96 - 3 - HG3 LYS 95 - HE3 LYS 26 lone 3 96 - 3 - HG2 LYS 95 - HE3 LYS 26 lone 2 87 - 3 - HG2 LYS 95 - HE2 LYS 26 lone 2 87 - 3 - HB2 LEU 96 - HE3 LYS 26 lone 2 100 - 2 - HB2 LEU 96 - HE2 LYS 26 lone 2 100 - 2 - QB ALA 28 - HE3 LYS 26 lone 1 99 - 1 - QB ALA 28 - HE2 LYS 26 lone 1 99 - 1 - QB ALA 108 - HE3 LYS 31 lone 1 98 - 1 - QB ALA 28 - HE3 LYS 31 lone 1 99 - 1 - QB ALA 109 - HE3 LYS 31 lone 1 81 - 1 - QB ALA 29 - HE3 LYS 31 lone 1 100 - 1 - QB ALA 28 - HE2 LYS 31 lone 1 85 - 1 - QB ALA 108 - HE2 LYS 31 lone 1 83 - 1 - HB3 LEU 100 - HE3 LYS 31 lone 1 99 - 1 - QB ALA 29 - HE2 LYS 31 lone 1 86 - 1 - QB ALA 29 - HE2 LYS 26 lone 1 100 - 1 - QB ALA 29 - HE3 LYS 26 lone 1 100 - 1 - QB ALA 110 - HE3 LYS 31 lone 1 100 - 1 - QB ALA 15 - HE2 LYS 26 lone 1 100 - 1 - QB ALA 15 - HE3 LYS 26 lone 1 100 - 1 - QB ALA 109 - HE2 LYS 31 lone 1 64 - 1 - QB ALA 108 - HE3 LYS 26 lone 1 98 - 1 - QB ALA 108 - HE2 LYS 26 lone 1 98 - 1 - HB3 LEU 100 - HE2 LYS 31 lone 1 85 - 1 - HB2 LEU 96 - HE3 LYS 19 lone 1 86 - 1 - HB2 LEU 42 - HE3 LYS 19 lone 1 83 - 1 - QB ALA 110 - HE2 LYS 31 lone 1 86 - 1 - HB2 LEU 42 - HE3 LYS 26 lone 1 98 - 1 - HB2 LEU 42 - HE2 LYS 26 lone 1 98 - 1 - HG3 LYS 95 - HE3 LYS 19 lone 1 79 - 1 - HB3 LEU 100 - HE3 LYS 19 lone 1 85 - 1 - QB ALA 15 - HE3 LYS 19 lone 0 86 - 1 - QB ALA 29 - HE3 LYS 19 lone 0 86 - 1 - QB ALA 110 - HE3 LYS 26 lone 0 100 - 0 - QB ALA 110 - HE2 LYS 26 lone 0 100 - 0 - HG2 LYS 95 - HE3 LYS 19 lone 0 70 - 1 - QB ALA 109 - HE3 LYS 26 lone 0 81 - 1 - QB ALA 109 - HE2 LYS 26 lone 0 81 - 1 - QB ALA 28 - HE3 LYS 19 lone 0 85 - 0 - HB2 LEU 42 - HE3 LYS 31 lone 0 98 - 0 - QB ALA 108 - HE3 LYS 19 lone 0 83 - 0 - QB ALA 110 - HE3 LYS 19 lone 0 86 - 0 - HB2 LEU 42 - HE2 LYS 31 lone 0 83 - 0 - QB ALA 109 - HE3 LYS 19 lone 0 64 - 0 - Peak 676 from cnoeabs.peaks (1.66, 2.97, 41.80 ppm; 2.50 A): 8 out of 65 assignments used, quality = 1.00: HD3 LYS 31 + HE3 LYS 31 OK 75 100 - 75 - 3.0=58, 2.9/881=3...(12) HD2 LYS 31 + HE3 LYS 31 OK 75 100 - 75 - 3.0=58, 2.9/881=3...(12) * HD2 LYS 26 + HE2 LYS 26 OK 72 100 - 72 - 3.0=58, 2.9/634=3...(13) HD2 LYS 26 + HE3 LYS 26 OK 72 100 - 72 - 3.0=58, 2.9/634=3...(13) HD3 LYS 26 + HE3 LYS 26 OK 72 99 - 72 - 3.0=58, 2.9/635=3...(13) HD3 LYS 26 + HE2 LYS 26 OK 72 99 - 72 - 3.0=58, 2.9/635=3...(13) HD3 LYS 31 + HE2 LYS 31 OK 64 87 - 74 - 3.0=58, 839/3.7=3...(11) HD2 LYS 31 + HE2 LYS 31 OK 64 86 - 74 - 3.0=58, 839/3.7=3...(11) HD3 LYS 31 - HE2 LYS 26 OK 27 100 - 27 - 2.9/841=2, 632/3.6=2...(5) HD3 LYS 31 - HE3 LYS 26 OK 27 100 - 27 - 2.9/841=2, 632/3.6=2...(5) HD2 LYS 31 - HE3 LYS 26 OK 27 100 - 27 - 2.9/841=2, 632/3.6=2...(5) HD2 LYS 31 - HE2 LYS 26 OK 27 100 - 27 - 2.9/841=2, 632/3.6=2...(5) HD3 LYS 26 - HE3 LYS 31 OK 23 99 - 23 - 2.9/634=2, 839/3.7=2...(4) HD2 LYS 26 - HE3 LYS 31 OK 23 100 - 23 - 2.9/635=2, 839/3.7=2...(4) HD2 LYS 26 - HE2 LYS 31 OK 19 87 - 22 - 2.9/634=2, 839/3.7=2...(4) HD3 LYS 26 - HE2 LYS 31 OK 18 85 - 22 - 2.9/634=2, 839/3.7=2...(4) HD3 LYS 24 - HE3 LYS 31 OK 17 100 - 17 - 839/3.7=1, 828/3.7=1 HD2 LYS 24 - HE3 LYS 31 OK 17 100 - 17 - 839/3.7=1, 828/3.7=1 HD3 LYS 31 - HE3 LYS 19 OK 15 87 - 17 - 2.9/841=1, 2.9/830=1 HD2 LYS 31 - HE3 LYS 19 OK 15 86 - 17 - 2.9/841=1, 2.9/830=1 HD3 LYS 24 - HE3 LYS 26 OK 14 100 - 14 - 632/3.6=1 HD3 LYS 24 - HE2 LYS 26 OK 14 100 - 14 - 632/3.6=1 HD2 LYS 24 - HE3 LYS 26 OK 14 100 - 14 - 632/3.6=1 HD2 LYS 24 - HE2 LYS 26 OK 14 100 - 14 - 632/3.6=1 HD3 LYS 24 - HE3 LYS 19 OK 14 87 - 16 - HD2 LYS 24 - HE3 LYS 19 OK 14 86 - 16 - HD3 LYS 24 - HE2 LYS 31 OK 13 87 - 15 - 839/3.7=1, 828/3.7=1 HD2 LYS 24 - HE2 LYS 31 OK 13 86 - 15 - 839/3.7=1, 828/3.7=1 HD2 LYS 26 - HE3 LYS 19 poor 9 87 - 11 - 2.9/634=1 HD3 LYS 26 - HE3 LYS 19 poor 9 85 - 11 - 2.9/634=1 HD2 LYS 86 - HE3 LYS 31 lone 6 100 - 6 - HD3 LYS 86 - HE3 LYS 31 lone 6 100 - 6 - HD2 LYS 86 - HE2 LYS 31 lone 5 86 - 5 - HD3 LYS 86 - HE2 LYS 31 lone 5 86 - 5 - HD2 LYS 86 - HE3 LYS 19 lone 5 86 - 5 - HD3 LYS 86 - HE3 LYS 19 lone 5 86 - 5 - HD3 LYS 95 - HE3 LYS 31 lone 3 100 - 3 - HD2 LYS 86 - HE3 LYS 26 lone 3 100 - 3 - HD3 LYS 86 - HE3 LYS 26 lone 3 100 - 3 - HD3 LYS 86 - HE2 LYS 26 lone 3 100 - 3 - HD2 LYS 86 - HE2 LYS 26 lone 3 100 - 3 - HD3 LYS 95 - HE2 LYS 31 lone 2 86 - 3 - HD2 LYS 95 - HE3 LYS 31 lone 2 87 - 3 - HD2 LYS 95 - HE2 LYS 31 lone 2 70 - 3 - HD3 LYS 95 - HE2 LYS 26 lone 2 100 - 2 - HD3 LYS 95 - HE3 LYS 26 lone 2 100 - 2 - HD2 LYS 95 - HE2 LYS 26 lone 1 87 - 1 - HD2 LYS 95 - HE3 LYS 26 lone 1 87 - 1 - HB2 LEU 69 - HE3 LYS 31 lone 1 65 - 1 - HB2 LEU 98 - HE3 LYS 26 lone 1 73 - 1 - HB2 LEU 98 - HE2 LYS 26 lone 1 73 - 1 - HB2 LEU 98 - HE3 LYS 31 lone 1 73 - 1 - HB2 LEU 69 - HE2 LYS 31 lone 1 50 - 1 - QB ALA 88 - HE2 LYS 26 lone 0 100 - 0 - QB ALA 88 - HE3 LYS 26 lone 0 100 - 0 - HB2 LEU 98 - HE2 LYS 31 lone 1 57 - 1 - HB2 LEU 98 - HE3 LYS 19 lone 0 57 - 1 - QB ALA 88 - HE3 LYS 31 lone 0 100 - 0 - HD3 LYS 95 - HE3 LYS 19 lone 0 86 - 0 - QB ALA 88 - HE2 LYS 31 lone 0 86 - 0 - HD2 LYS 95 - HE3 LYS 19 lone 0 70 - 0 - HB2 LEU 69 - HE2 LYS 26 lone 0 65 - 0 - HB2 LEU 69 - HE3 LYS 26 lone 0 65 - 0 - QB ALA 88 - HE3 LYS 19 lone 0 86 - 0 - HB2 LEU 69 - HE3 LYS 19 lone 0 50 - 0 - Peak 677 from cnoeabs.peaks (1.66, 2.97, 41.80 ppm; 2.50 A): 8 out of 75 assignments used, quality = 1.00: HD3 LYS 31 + HE3 LYS 31 OK 74 99 - 75 - 3.0=58, 2.9/881=3...(12) HD2 LYS 31 + HE3 LYS 31 OK 73 98 - 75 - 3.0=58, 2.9/881=3...(12) * HD3 LYS 26 + HE2 LYS 26 OK 72 100 - 72 - 3.0=58, 2.9/634=3...(13) HD3 LYS 26 + HE3 LYS 26 OK 72 100 - 72 - 3.0=58, 2.9/634=3...(13) HD2 LYS 26 + HE2 LYS 26 OK 72 99 - 72 - 3.0=58, 2.9/634=3...(13) HD2 LYS 26 + HE3 LYS 26 OK 72 99 - 72 - 3.0=58, 2.9/634=3...(13) HD3 LYS 31 + HE2 LYS 31 OK 63 85 - 74 - 3.0=58, 839/3.7=3...(11) HD2 LYS 31 + HE2 LYS 31 OK 61 83 - 74 - 3.0=58, 839/3.7=3...(11) HD2 LYS 19 - HE3 LYS 19 OK 39 50 - 76 - 2.9=62, 3.0/329=5...(22) HD3 LYS 19 - HE3 LYS 19 OK 39 50 - 76 - 2.9=62, 3.0/329=5...(22) HD3 LYS 31 - HE3 LYS 26 OK 27 99 - 27 - 2.9/841=2, 632/3.6=2...(5) HD3 LYS 31 - HE2 LYS 26 OK 27 99 - 27 - 2.9/841=2, 632/3.6=2...(5) HD2 LYS 31 - HE2 LYS 26 OK 26 98 - 27 - 2.9/841=2, 632/3.6=2...(5) HD2 LYS 31 - HE3 LYS 26 OK 26 98 - 27 - 2.9/841=2, 632/3.6=2...(5) HD3 LYS 26 - HE3 LYS 31 OK 23 100 - 23 - 2.9/635=2, 839/3.7=2...(4) HD2 LYS 26 - HE3 LYS 31 OK 22 99 - 23 - 2.9/635=2, 839/3.7=2...(4) HD3 LYS 26 - HE2 LYS 31 OK 19 87 - 22 - 2.9/634=2, 839/3.7=2...(4) HD2 LYS 26 - HE2 LYS 31 OK 18 85 - 22 - 2.9/634=2, 839/3.7=2...(4) HD3 LYS 24 - HE3 LYS 31 OK 17 99 - 17 - 839/3.7=1, 828/3.7=1 HD2 LYS 24 - HE3 LYS 31 OK 17 98 - 17 - 839/3.7=1, 828/3.7=1 HD3 LYS 31 - HE3 LYS 19 OK 14 85 - 17 - 2.9/841=1, 2.9/830=1 HD2 LYS 31 - HE3 LYS 19 OK 14 83 - 17 - 2.9/841=1, 2.9/830=1 HD3 LYS 24 - HE3 LYS 26 OK 14 99 - 14 - 632/3.6=1 HD3 LYS 24 - HE2 LYS 26 OK 14 99 - 14 - 632/3.6=1 HD2 LYS 24 - HE2 LYS 26 OK 14 98 - 14 - 632/3.6=1 HD2 LYS 24 - HE3 LYS 26 OK 14 98 - 14 - 632/3.6=1 HD3 LYS 24 - HE3 LYS 19 OK 13 85 - 16 - HD2 LYS 24 - HE3 LYS 19 OK 13 83 - 16 - HD3 LYS 24 - HE2 LYS 31 OK 13 85 - 15 - 839/3.7=1, 828/3.7=1 HD2 LYS 24 - HE2 LYS 31 OK 12 83 - 15 - 839/3.7=1, 828/3.7=1 HD3 LYS 26 - HE3 LYS 19 poor 10 87 - 11 - 2.9/634=1 HD2 LYS 26 - HE3 LYS 19 poor 9 85 - 11 - 2.9/635=1 HD2 LYS 19 - HE3 LYS 31 poor 9 65 - 13 - 3.0/329=2 HD3 LYS 19 - HE3 LYS 31 poor 9 65 - 13 - 3.0/329=2 HD2 LYS 19 - HE2 LYS 26 poor 8 65 - 13 - 3.0/329=1 HD2 LYS 19 - HE3 LYS 26 poor 8 65 - 13 - 3.0/329=1 HD3 LYS 19 - HE3 LYS 26 poor 8 65 - 13 - 3.0/329=1 HD3 LYS 19 - HE2 LYS 26 poor 8 65 - 13 - 3.0/329=1 HD2 LYS 86 - HE3 LYS 31 lone 6 100 - 6 - HD3 LYS 86 - HE3 LYS 31 lone 6 100 - 6 - HD3 LYS 19 - HE2 LYS 31 poor 6 50 - 12 - 3.0/329=2 HD2 LYS 19 - HE2 LYS 31 poor 6 50 - 12 - 3.0/329=2 HD3 LYS 86 - HE2 LYS 31 lone 5 86 - 5 - HD2 LYS 86 - HE2 LYS 31 lone 5 86 - 5 - HD2 LYS 86 - HE3 LYS 19 lone 5 86 - 5 - HD3 LYS 86 - HE3 LYS 19 lone 5 86 - 5 - HD3 LYS 95 - HE3 LYS 31 lone 3 100 - 3 - HD2 LYS 86 - HE2 LYS 26 lone 3 100 - 3 - HD2 LYS 86 - HE3 LYS 26 lone 3 100 - 3 - HD3 LYS 86 - HE2 LYS 26 lone 3 100 - 3 - HD3 LYS 86 - HE3 LYS 26 lone 3 100 - 3 - HD2 LYS 95 - HE3 LYS 31 lone 3 96 - 3 - HD3 LYS 95 - HE2 LYS 31 lone 2 86 - 3 - HB2 LEU 123 - HE3 LYS 19 lone 3 57 - 4 - 3.2/10705=1 HB2 LEU 123 - HE3 LYS 26 lone 2 73 - 3 - HB2 LEU 123 - HE2 LYS 26 lone 2 73 - 3 - HD2 LYS 95 - HE2 LYS 31 lone 2 79 - 3 - HD3 LYS 95 - HE2 LYS 26 lone 2 100 - 2 - HD3 LYS 95 - HE3 LYS 26 lone 2 100 - 2 - HD2 LYS 95 - HE3 LYS 26 lone 1 96 - 1 - HD2 LYS 95 - HE2 LYS 26 lone 1 96 - 1 - HB2 LEU 98 - HE2 LYS 26 lone 1 87 - 1 - HB2 LEU 98 - HE3 LYS 26 lone 1 87 - 1 - HB2 LEU 98 - HE3 LYS 31 lone 1 87 - 1 - HB2 LEU 98 - HE3 LYS 19 lone 1 70 - 1 - HB2 LEU 98 - HE2 LYS 31 lone 1 70 - 1 - QB ALA 88 - HE2 LYS 26 lone 0 98 - 0 - QB ALA 88 - HE3 LYS 26 lone 0 98 - 0 - HB2 LEU 123 - HE3 LYS 31 lone 0 73 - 1 - QB ALA 88 - HE3 LYS 31 lone 0 98 - 0 - HD3 LYS 95 - HE3 LYS 19 lone 0 86 - 0 - QB ALA 88 - HE2 LYS 31 lone 0 83 - 0 - HD2 LYS 95 - HE3 LYS 19 lone 0 79 - 0 - HB2 LEU 123 - HE2 LYS 31 lone 0 57 - 1 - QB ALA 88 - HE3 LYS 19 lone 0 83 - 0 - Peak 678 from cnoeabs.peaks (2.97, 2.97, 41.80 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HE3 LYS 26 + HE3 LYS 26 OK 100 100 - 100 HE3 LYS 31 + HE3 LYS 31 OK 100 100 - 100 * HE2 LYS 26 + HE2 LYS 26 OK 100 100 - 100 HE3 LYS 19 + HE3 LYS 19 OK 83 83 - 100 HE2 LYS 31 + HE2 LYS 31 OK 83 83 - 100 Peak 679 from cnoeabs.peaks (2.97, 2.97, 41.80 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HE3 LYS 26 + HE3 LYS 26 OK 100 100 - 100 HE3 LYS 31 + HE3 LYS 31 OK 100 100 - 100 HE2 LYS 26 + HE2 LYS 26 OK 100 100 - 100 HE3 LYS 19 + HE3 LYS 19 OK 83 83 - 100 HE2 LYS 31 + HE2 LYS 31 OK 83 83 - 100 Reference assignment not found: HE3 LYS 26 - HE2 LYS 26 Peak 682 from cnoeabs.peaks (4.27, 2.97, 41.80 ppm; 3.67 A): 5 out of 50 assignments used, quality = 0.99: HA LYS 26 + HE2 LYS 26 OK 68 100 - 68 - 6.6=17, 627/3.6=11...(27) * HA LYS 26 + HE3 LYS 26 OK 68 100 - 68 - 6.6=17, 627/3.6=11...(27) HA LYS 19 + HE3 LYS 19 OK 65 85 - 77 - 6.4=19, 241/3.8=17...(33) HA LYS 31 + HE3 LYS 31 OK 49 73 - 66 - 6.5=18, 793/3.7=8...(26) HA LYS 26 + HE3 LYS 31 OK 46 100 - 46 - 597/3.7=4, 4.0/635=3...(17) HA LYS 19 - HE2 LYS 26 OK 42 99 - 42 - 627/3.6=6, 638/3.6=4...(14) HA LYS 19 - HE3 LYS 26 OK 42 99 - 42 - 627/3.6=6, 638/3.6=4...(14) HA LYS 26 - HE2 LYS 31 OK 38 87 - 44 - 597/3.7=4, 4.0/635=3...(17) HA LYS 31 - HE2 LYS 31 OK 37 57 - 65 - 6.5=18, 793/3.7=8...(28) HA LYS 26 - HE3 LYS 19 OK 36 87 - 42 - 241/3.8=8, 304/2.9=4...(16) HA LYS 19 - HE3 LYS 31 OK 35 99 - 36 - 242/3.7=3, 4.2/329=2...(11) HA LYS 31 - HE3 LYS 26 OK 35 73 - 47 - 627/3.6=5, 3.8/841=3...(19) HA LYS 31 - HE2 LYS 26 OK 35 73 - 47 - 627/3.6=5, 3.8/841=3...(19) HA LYS 19 - HE2 LYS 31 OK 29 85 - 34 - 242/3.7=3, 4.2/329=2...(10) HA LYS 36 - HE3 LYS 31 OK 21 87 - 25 - 980/3.0=2, 975/4.8=2...(11) HA LYS 31 - HE3 LYS 19 OK 20 57 - 35 - 271/3.8=3, 792/3.8=2...(11) HA LYS 36 - HE2 LYS 31 OK 16 70 - 23 - 980/3.0=2, 975/4.8=2...(10) HA LYS 36 - HE3 LYS 26 OK 12 87 - 13 - 977/3.6=3, 627/3.6=2, 975/4.8=1 HA LYS 36 - HE2 LYS 26 OK 12 87 - 13 - 977/3.6=3, 627/3.6=2, 975/4.8=1 HA LYS 36 - HE3 LYS 19 OK 11 70 - 16 - ~1053=1, 4.1/1015=1...(4) HB THR 115 - HE2 LYS 26 lone 7 92 - 8 - 10191/3.6=2, 11521/7.1=2 HB THR 115 - HE3 LYS 26 lone 7 92 - 8 - 10191/3.6=2, 11521/7.1=2 HA PHE 87 - HE3 LYS 19 lone 6 79 - 8 - 9841/2.9=2, 9841/2.9=2, ~9834=1 HA PHE 87 - HE3 LYS 26 lone 3 96 - 3 - HA PHE 87 - HE2 LYS 26 lone 3 96 - 3 - HA ALA 108 - HE3 LYS 31 lone 2 73 - 3 - HA ALA 109 - HE3 LYS 31 lone 2 73 - 3 - HB THR 115 - HE3 LYS 31 lone 2 92 - 2 - HB THR 115 - HE3 LYS 19 lone 2 75 - 2 - HA ALA 108 - HE2 LYS 31 lone 2 57 - 3 - HA ALA 109 - HE2 LYS 31 lone 2 57 - 3 - HA PHE 87 - HE3 LYS 31 lone 1 96 - 2 - HB THR 115 - HE2 LYS 31 lone 1 75 - 2 - HA LEU 22 - HE3 LYS 31 lone 1 73 - 2 - HA LEU 22 - HE2 LYS 26 lone 1 73 - 2 - HA LEU 22 - HE3 LYS 26 lone 1 73 - 2 - HA PHE 87 - HE2 LYS 31 lone 1 79 - 1 - HA ALA 108 - HE3 LYS 26 lone 1 73 - 1 - HA ALA 108 - HE2 LYS 26 lone 1 73 - 1 - HA LEU 22 - HE2 LYS 31 lone 1 57 - 2 - HA ALA 109 - HE2 LYS 26 lone 1 73 - 1 - HA ALA 109 - HE3 LYS 26 lone 1 73 - 1 - HA ALA 16 - HE3 LYS 26 lone 1 81 - 1 - HA ALA 16 - HE2 LYS 26 lone 1 81 - 1 - HA ALA 16 - HE3 LYS 31 lone 1 81 - 1 - HA ALA 16 - HE2 LYS 31 lone 1 64 - 1 - HA ALA 108 - HE3 LYS 19 lone 1 57 - 1 - HA LEU 22 - HE3 LYS 19 lone 1 57 - 1 - HA ALA 16 - HE3 LYS 19 lone 0 64 - 1 - HA ALA 109 - HE3 LYS 19 lone 0 57 - 1 - Peak 683 from cnoeabs.peaks (1.75, 2.97, 41.80 ppm; 3.12 A): 6 out of 30 assignments used, quality = 1.00: HB2 LYS 26 + HE2 LYS 26 OK 71 100 - 71 - 4.8=28, 628/3.6=7...(32) * HB2 LYS 26 + HE3 LYS 26 OK 71 100 - 71 - 4.8=28, 628/3.6=7...(32) HB2 LYS 19 + HE3 LYS 19 OK 65 87 - 75 - 5.1=23, 252/3.8=11...(42) HB2 LYS 31 + HE3 LYS 31 OK 59 81 - 73 - 4.8=27, 804/3.7=6...(33) HB2 LYS 26 + HE3 LYS 31 OK 46 100 - 46 - 3.0/634=3, 1.8/623=2...(20) HB2 LYS 31 + HE2 LYS 31 OK 45 64 - 71 - 4.8=27, 804/3.7=6...(30) HB2 LYS 24 - HE3 LYS 31 OK 40 98 - 41 - 823/3.7=3, 834/3.7=3...(8) HB2 LYS 31 - HE2 LYS 26 OK 39 81 - 49 - 628/3.6=3, 3.0/841=3...(17) HB2 LYS 31 - HE3 LYS 26 OK 39 81 - 49 - 628/3.6=3, 3.0/841=3...(17) HB2 LYS 24 - HE3 LYS 26 OK 39 98 - 40 - 628/3.6=4, 639/3.6=3...(11) HB2 LYS 24 - HE2 LYS 26 OK 39 98 - 40 - 628/3.6=4, 639/3.6=3...(11) HB2 LYS 26 - HE2 LYS 31 OK 38 87 - 44 - 3.0/634=3, 1.8/623=2...(19) HB2 LYS 19 - HE2 LYS 26 OK 36 100 - 36 - 628/3.6=4, 639/3.6=2...(9) HB2 LYS 19 - HE3 LYS 26 OK 36 100 - 36 - 628/3.6=4, 639/3.6=2...(9) HB2 LYS 19 - HE3 LYS 31 OK 34 100 - 34 - 3.0/329=2, 823/3.7=2...(10) HB2 LYS 24 - HE3 LYS 19 OK 34 83 - 41 - 252/3.8=5, 305/2.9=3...(17) HB2 LYS 24 - HE2 LYS 31 OK 31 83 - 37 - 823/3.7=3, 834/3.7=3...(7) HB2 LYS 26 - HE3 LYS 19 OK 30 87 - 34 - 252/3.8=4, 305/2.9=3...(7) HB2 LYS 19 - HE2 LYS 31 OK 28 87 - 32 - 3.0/329=3, 823/3.7=2...(8) HB2 LYS 31 - HE3 LYS 19 OK 23 64 - 36 - 272/3.8=3, 305/2.9=2...(11) HB2 ARG 23 - HE3 LYS 26 lone 7 92 - 8 - 428/4.8=2, 628/3.6=2...(4) HB2 ARG 23 - HE2 LYS 26 lone 7 92 - 8 - 428/4.8=2, 628/3.6=2...(4) HG13 ILE 129 - HE2 LYS 26 lone 2 87 - 3 - 628/3.6=1 HG13 ILE 129 - HE3 LYS 26 lone 2 87 - 3 - 628/3.6=1 HB2 ARG 23 - HE3 LYS 19 lone 2 75 - 2 - HB2 ARG 23 - HE3 LYS 31 lone 1 92 - 1 - HG13 ILE 129 - HE3 LYS 31 lone 1 87 - 1 - HB2 ARG 23 - HE2 LYS 31 lone 1 75 - 1 - HG13 ILE 129 - HE2 LYS 31 lone 1 70 - 1 - HG13 ILE 129 - HE3 LYS 19 lone 1 70 - 1 - Peak 684 from cnoeabs.peaks (1.82, 2.97, 41.80 ppm; 3.24 A): 6 out of 55 assignments used, quality = 1.00: HB3 LYS 26 + HE2 LYS 26 OK 78 100 - 78 - 4.8=31, 619/3.6=11...(38) * HB3 LYS 26 + HE3 LYS 26 OK 78 100 - 78 - 4.8=31, 619/3.6=11...(38) HB3 LYS 31 + HE3 LYS 31 OK 62 81 - 76 - 4.8=30, 3.0/881=5...(37) HB3 LYS 26 + HE3 LYS 31 OK 52 100 - 52 - 3.0/635=3, 619/3.7=3...(18) HB3 LYS 19 + HE3 LYS 19 OK 48 64 - 76 - 5.1=26, 3.0/329=8...(42) HB3 LYS 31 + HE2 LYS 31 OK 47 64 - 74 - 4.8=30, 3.0/841=5...(37) HB3 LYS 26 - HE2 LYS 31 OK 44 87 - 51 - 619/3.7=3, 3.0/634=3...(20) HB3 LYS 24 - HE3 LYS 31 OK 40 92 - 44 - 835/3.7=3, 824/3.7=2...(14) HB3 LYS 31 - HE3 LYS 26 OK 40 81 - 50 - 3.0/841=3, 629/3.6=3...(21) HB3 LYS 31 - HE2 LYS 26 OK 40 81 - 50 - 3.0/841=3, 629/3.6=3...(21) HB3 LYS 24 - HE3 LYS 26 OK 39 92 - 43 - 629/3.6=4, 640/3.6=2...(14) HB3 LYS 24 - HE2 LYS 26 OK 39 92 - 43 - 629/3.6=4, 640/3.6=2...(14) HB ILE 32 - HE3 LYS 31 OK 36 100 - 36 - 2.1/10757=8, 900/3.7=4...(14) HB3 LYS 26 - HE3 LYS 19 OK 31 87 - 36 - 3.0/634=2, 623=2...(19) HB3 LYS 24 - HE2 LYS 31 OK 31 75 - 41 - 835/3.7=3, 824/3.7=2...(17) HB3 LYS 24 - HE3 LYS 19 OK 30 75 - 41 - 263/3.8=3, 306/2.9=2...(25) HB3 LYS 19 - HE3 LYS 26 OK 30 81 - 37 - 629/3.6=2, 3.0/329=2...(8) HB3 LYS 19 - HE2 LYS 26 OK 30 81 - 37 - 629/3.6=2, 3.0/329=2...(8) HB3 LYS 19 - HE3 LYS 31 OK 29 81 - 36 - 3.0/329=3, 835/3.7=2...(9) HB ILE 32 - HE2 LYS 31 OK 29 86 - 33 - 2.1/10757=6, ~10757=5...(11) HB2 LYS 36 - HE3 LYS 31 OK 27 99 - 27 - ~1064=2, 990/3.0=1...(8) HB ILE 32 - HE2 LYS 26 OK 26 100 - 26 - 2.1/10757=5, ~10757=3...(9) HB ILE 32 - HE3 LYS 26 OK 26 100 - 26 - 2.1/10757=5, ~10757=3...(9) HB3 LYS 31 - HE3 LYS 19 OK 22 64 - 35 - 263/3.8=3, 3.0/841=2...(13) HB3 LYS 19 - HE2 LYS 31 OK 22 64 - 34 - 3.0/329=3, 835/3.7=2...(7) HB2 LYS 36 - HE2 LYS 31 OK 20 85 - 24 - 991/3.0=1, ~1002=1...(7) HB2 LYS 36 - HE3 LYS 19 OK 16 85 - 19 - ~1053=1, ~1064=1...(5) HB ILE 32 - HE3 LYS 19 OK 15 86 - 17 - 900/3.8=3, 2.1/10757=3...(6) HB2 LYS 36 - HE2 LYS 26 OK 12 99 - 12 - 988/3.6=2, 629/3.6=1 HB2 LYS 36 - HE3 LYS 26 OK 12 99 - 12 - 988/3.6=2, 629/3.6=1 HB3 ARG 23 - HE3 LYS 26 lone 8 96 - 8 - 436/4.8=2, 629/3.6=2, 442/7.1=1 HB3 ARG 23 - HE2 LYS 26 lone 8 96 - 8 - 436/4.8=2, 629/3.6=2, 442/7.1=1 HB2 LEU 100 - HE2 LYS 26 lone 5 98 - 5 - 3235/3.6=1 HB2 LEU 100 - HE3 LYS 26 lone 5 98 - 5 - 3235/3.6=1 HB3 LEU 123 - HE2 LYS 26 lone 5 73 - 7 - 629/3.6=1, 3.2/10705=1 HB3 LEU 123 - HE3 LYS 26 lone 5 73 - 7 - 629/3.6=1, 3.2/10705=1 HB3 LEU 123 - HE3 LYS 19 lone 4 56 - 7 - 3.2/10705=2 HB3 ARG 23 - HE3 LYS 19 lone 1 79 - 2 - HB2 LEU 100 - HE3 LYS 31 lone 1 98 - 1 - HB3 ARG 23 - HE3 LYS 31 lone 1 96 - 1 - HB2 LEU 100 - HE2 LYS 31 lone 1 83 - 1 - HB3 LEU 123 - HE3 LYS 31 lone 1 73 - 1 - HB3 ARG 23 - HE2 LYS 31 lone 1 79 - 1 - HB2 LEU 100 - HE3 LYS 19 lone 1 83 - 1 - HB3 ARG 135 - HE3 LYS 26 lone 1 100 - 1 - HB3 ARG 135 - HE2 LYS 26 lone 1 100 - 1 - HB3 LEU 123 - HE2 LYS 31 lone 1 56 - 1 - HB3 ARG 135 - HE3 LYS 31 lone 1 100 - 1 - HB3 ARG 135 - HE2 LYS 31 lone 1 86 - 1 - HB3 ARG 135 - HE3 LYS 19 lone 0 86 - 1 - HB VAL 93 - HE2 LYS 26 lone 0 65 - 1 - HB VAL 93 - HE3 LYS 26 lone 0 65 - 1 - HB VAL 93 - HE3 LYS 19 lone 0 50 - 1 - HB VAL 93 - HE3 LYS 31 lone 0 65 - 0 - HB VAL 93 - HE2 LYS 31 lone 0 50 - 0 - Peak 685 from cnoeabs.peaks (1.43, 2.97, 41.80 ppm; 2.64 A): 4 out of 20 assignments used, quality = 0.97: * HG2 LYS 26 + HE3 LYS 26 OK 71 100 - 71 - 3.6=39, 635/1.8=5...(17) HG2 LYS 26 + HE2 LYS 26 OK 71 100 - 71 - 3.6=39, 635/1.8=5...(17) HG2 LYS 31 + HE3 LYS 31 OK 43 65 - 66 - 3.7=37, 1.8/881=5...(15) HG2 LYS 26 + HE3 LYS 31 OK 39 100 - 39 - 634=4, 635/1.8=3...(11) HG2 LYS 31 - HE2 LYS 31 OK 32 50 - 64 - 3.7=37, 1.8/881=4...(15) HG2 LYS 26 - HE2 LYS 31 OK 32 87 - 37 - 634=3, 634/1.8=3...(11) HG2 LYS 31 - HE3 LYS 26 OK 21 65 - 32 - 1.8/881=3, 641/3.6=2...(11) HG2 LYS 31 - HE2 LYS 26 OK 21 65 - 32 - 1.8/881=3, 641/3.6=2...(11) HG2 LYS 26 - HE3 LYS 19 OK 20 87 - 23 - 634=2, 1.8/645=1...(4) HG13 ILE 32 - HE3 LYS 31 OK 17 87 - 20 - 3.2/10757=4, ~10903=2...(7) HG13 ILE 32 - HE3 LYS 26 OK 13 87 - 15 - 3.2/10757=3, 2.1/9008=2...(8) HG13 ILE 32 - HE2 LYS 26 OK 13 87 - 15 - 3.2/10757=3, 2.1/9008=2...(8) HG13 ILE 32 - HE2 LYS 31 OK 12 70 - 17 - 3.2/10757=3, 2.1/10804=2...(6) HG2 LYS 31 - HE3 LYS 19 poor 10 50 - 19 - 1.8/841=2 HG13 ILE 32 - HE3 LYS 19 lone 6 70 - 8 - 3.2/10757=1, ~10903=1 QB ALA 92 - HE2 LYS 26 lone 4 98 - 4 - 11317/4.8=1 QB ALA 92 - HE3 LYS 26 lone 4 98 - 4 - 11317/4.8=1 QB ALA 92 - HE3 LYS 19 lone 3 83 - 3 - QB ALA 92 - HE3 LYS 31 lone 1 98 - 1 - QB ALA 92 - HE2 LYS 31 lone 1 83 - 1 - Peak 686 from cnoeabs.peaks (1.38, 2.97, 41.80 ppm; 2.67 A): 3 out of 75 assignments used, quality = 0.95: * HG3 LYS 26 + HE3 LYS 26 OK 70 100 - 70 - 3.6=40, 1.8/685=5...(19) HG3 LYS 26 + HE2 LYS 26 OK 70 100 - 70 - 3.6=40, 1.8/685=5...(19) HG3 LYS 31 + HE3 LYS 31 OK 44 65 - 67 - 3.7=38, 1.8/830=4...(16) HG3 LYS 26 - HE3 LYS 31 OK 36 100 - 37 - 1.8/634=3, 645=2...(13) HG3 LYS 31 - HE2 LYS 31 OK 33 50 - 65 - 3.7=38, 1.8/830=4...(13) HG2 LYS 24 - HE3 LYS 31 OK 31 99 - 32 - 517/3.7=2, 519/3.0=2...(6) HG3 LYS 26 - HE2 LYS 31 OK 31 87 - 36 - 1.8/635=3, 646=2...(13) HG2 LYS 24 - HE3 LYS 26 OK 30 99 - 30 - 631/3.6=3, 519/3.0=1...(8) HG2 LYS 24 - HE2 LYS 26 OK 30 99 - 30 - 631/3.6=3, 519/3.0=1...(8) HG2 LYS 24 - HE3 LYS 19 OK 27 85 - 31 - 520/1.8=3, 517/3.8=3...(11) HG2 LYS 24 - HE2 LYS 31 OK 24 85 - 29 - 517/3.7=2, 519/3.0=2...(6) HG3 LYS 31 - HE2 LYS 26 OK 22 65 - 33 - 1.8/830=2, 631/3.6=2...(10) HG3 LYS 31 - HE3 LYS 26 OK 22 65 - 33 - 1.8/830=2, 631/3.6=2...(10) HG3 LYS 26 - HE3 LYS 19 OK 18 87 - 21 - 1.8/634=2, 645=2...(4) HG2 LYS 36 - HE3 LYS 31 OK 17 100 - 17 - 1015/1.8=1, 1015=1, 1013/3.0=1 HG2 LYS 36 - HE2 LYS 31 OK 13 86 - 15 - 1015/1.8=1, 1015=1...(4) HG2 LYS 36 - HE3 LYS 19 OK 12 86 - 14 - 1014/1.8=1, 1015=1 HG3 LYS 31 - HE3 LYS 19 OK 12 50 - 23 - 1.8/830=2, ~561=1 HG2 LYS 36 - HE2 LYS 26 lone 8 100 - 8 - 631/3.6=1 HG2 LYS 36 - HE3 LYS 26 lone 8 100 - 8 - 631/3.6=1 HB2 LEU 96 - HE3 LYS 31 lone 5 100 - 5 - 3070/3.7=1 HG3 LYS 95 - HE3 LYS 31 lone 4 96 - 5 - HG2 LYS 95 - HE3 LYS 31 lone 4 87 - 5 - QB ALA 15 - HE3 LYS 31 lone 4 100 - 4 - 10790/4.8=2 HG3 LYS 95 - HE2 LYS 31 lone 4 79 - 5 - HB3 LEU 100 - HE3 LYS 26 lone 4 99 - 4 - HB3 LEU 100 - HE2 LYS 26 lone 4 99 - 4 - HB2 LEU 96 - HE2 LYS 31 lone 4 86 - 4 - 3070/3.7=1 QB ALA 15 - HE2 LYS 31 lone 3 86 - 4 - 10790/4.8=2 HG2 LYS 95 - HE2 LYS 31 lone 3 70 - 5 - HG3 LYS 95 - HE2 LYS 26 lone 3 96 - 3 - HG3 LYS 95 - HE3 LYS 26 lone 3 96 - 3 - HG2 LYS 95 - HE3 LYS 26 lone 2 87 - 3 - HG2 LYS 95 - HE2 LYS 26 lone 2 87 - 3 - HB2 LEU 96 - HE3 LYS 26 lone 2 100 - 2 - HB2 LEU 96 - HE2 LYS 26 lone 2 100 - 2 - QB ALA 28 - HE3 LYS 26 lone 1 99 - 1 - QB ALA 28 - HE2 LYS 26 lone 1 99 - 1 - QB ALA 108 - HE3 LYS 31 lone 1 98 - 1 - QB ALA 28 - HE3 LYS 31 lone 1 99 - 1 - QB ALA 109 - HE3 LYS 31 lone 1 81 - 1 - QB ALA 29 - HE3 LYS 31 lone 1 100 - 1 - QB ALA 28 - HE2 LYS 31 lone 1 85 - 1 - QB ALA 108 - HE2 LYS 31 lone 1 83 - 1 - HB3 LEU 100 - HE3 LYS 31 lone 1 99 - 1 - QB ALA 29 - HE2 LYS 31 lone 1 86 - 1 - QB ALA 29 - HE2 LYS 26 lone 1 100 - 1 - QB ALA 29 - HE3 LYS 26 lone 1 100 - 1 - QB ALA 110 - HE3 LYS 31 lone 1 100 - 1 - QB ALA 15 - HE2 LYS 26 lone 1 100 - 1 - QB ALA 15 - HE3 LYS 26 lone 1 100 - 1 - QB ALA 109 - HE2 LYS 31 lone 1 64 - 1 - QB ALA 108 - HE3 LYS 26 lone 1 98 - 1 - QB ALA 108 - HE2 LYS 26 lone 1 98 - 1 - HB3 LEU 100 - HE2 LYS 31 lone 1 85 - 1 - HB2 LEU 96 - HE3 LYS 19 lone 1 86 - 1 - HB2 LEU 42 - HE3 LYS 19 lone 1 83 - 1 - QB ALA 110 - HE2 LYS 31 lone 1 86 - 1 - HB2 LEU 42 - HE3 LYS 26 lone 1 98 - 1 - HB2 LEU 42 - HE2 LYS 26 lone 1 98 - 1 - HG3 LYS 95 - HE3 LYS 19 lone 1 79 - 1 - HB3 LEU 100 - HE3 LYS 19 lone 1 85 - 1 - QB ALA 15 - HE3 LYS 19 lone 0 86 - 1 - QB ALA 29 - HE3 LYS 19 lone 0 86 - 1 - QB ALA 110 - HE3 LYS 26 lone 0 100 - 0 - QB ALA 110 - HE2 LYS 26 lone 0 100 - 0 - HG2 LYS 95 - HE3 LYS 19 lone 0 70 - 1 - QB ALA 109 - HE3 LYS 26 lone 0 81 - 1 - QB ALA 109 - HE2 LYS 26 lone 0 81 - 1 - QB ALA 28 - HE3 LYS 19 lone 0 85 - 0 - HB2 LEU 42 - HE3 LYS 31 lone 0 98 - 0 - QB ALA 108 - HE3 LYS 19 lone 0 83 - 0 - QB ALA 110 - HE3 LYS 19 lone 0 86 - 0 - HB2 LEU 42 - HE2 LYS 31 lone 0 83 - 0 - QB ALA 109 - HE3 LYS 19 lone 0 64 - 0 - Peak 687 from cnoeabs.peaks (1.66, 2.97, 41.80 ppm; 2.50 A): 8 out of 65 assignments used, quality = 1.00: HD3 LYS 31 + HE3 LYS 31 OK 75 100 - 75 - 3.0=58, 2.9/881=3...(12) HD2 LYS 31 + HE3 LYS 31 OK 75 100 - 75 - 3.0=58, 2.9/881=3...(12) HD2 LYS 26 + HE2 LYS 26 OK 72 100 - 72 - 3.0=58, 2.9/634=3...(13) * HD2 LYS 26 + HE3 LYS 26 OK 72 100 - 72 - 3.0=58, 2.9/634=3...(13) HD3 LYS 26 + HE3 LYS 26 OK 72 99 - 72 - 3.0=58, 2.9/635=3...(13) HD3 LYS 26 + HE2 LYS 26 OK 72 99 - 72 - 3.0=58, 2.9/635=3...(13) HD3 LYS 31 + HE2 LYS 31 OK 64 87 - 74 - 3.0=58, 839/3.7=3...(11) HD2 LYS 31 + HE2 LYS 31 OK 64 86 - 74 - 3.0=58, 839/3.7=3...(11) HD3 LYS 31 - HE2 LYS 26 OK 27 100 - 27 - 2.9/841=2, 632/3.6=2...(5) HD3 LYS 31 - HE3 LYS 26 OK 27 100 - 27 - 2.9/841=2, 632/3.6=2...(5) HD2 LYS 31 - HE3 LYS 26 OK 27 100 - 27 - 2.9/841=2, 632/3.6=2...(5) HD2 LYS 31 - HE2 LYS 26 OK 27 100 - 27 - 2.9/841=2, 632/3.6=2...(5) HD3 LYS 26 - HE3 LYS 31 OK 23 99 - 23 - 2.9/634=2, 839/3.7=2...(4) HD2 LYS 26 - HE3 LYS 31 OK 23 100 - 23 - 2.9/635=2, 839/3.7=2...(4) HD2 LYS 26 - HE2 LYS 31 OK 19 87 - 22 - 2.9/634=2, 839/3.7=2...(4) HD3 LYS 26 - HE2 LYS 31 OK 18 85 - 22 - 2.9/634=2, 839/3.7=2...(4) HD3 LYS 24 - HE3 LYS 31 OK 17 100 - 17 - 839/3.7=1, 828/3.7=1 HD2 LYS 24 - HE3 LYS 31 OK 17 100 - 17 - 839/3.7=1, 828/3.7=1 HD3 LYS 31 - HE3 LYS 19 OK 15 87 - 17 - 2.9/841=1, 2.9/830=1 HD2 LYS 31 - HE3 LYS 19 OK 15 86 - 17 - 2.9/841=1, 2.9/830=1 HD3 LYS 24 - HE3 LYS 26 OK 14 100 - 14 - 632/3.6=1 HD3 LYS 24 - HE2 LYS 26 OK 14 100 - 14 - 632/3.6=1 HD2 LYS 24 - HE3 LYS 26 OK 14 100 - 14 - 632/3.6=1 HD2 LYS 24 - HE2 LYS 26 OK 14 100 - 14 - 632/3.6=1 HD3 LYS 24 - HE3 LYS 19 OK 14 87 - 16 - HD2 LYS 24 - HE3 LYS 19 OK 14 86 - 16 - HD3 LYS 24 - HE2 LYS 31 OK 13 87 - 15 - 839/3.7=1, 828/3.7=1 HD2 LYS 24 - HE2 LYS 31 OK 13 86 - 15 - 839/3.7=1, 828/3.7=1 HD2 LYS 26 - HE3 LYS 19 poor 9 87 - 11 - 2.9/634=1 HD3 LYS 26 - HE3 LYS 19 poor 9 85 - 11 - 2.9/634=1 HD2 LYS 86 - HE3 LYS 31 lone 6 100 - 6 - HD3 LYS 86 - HE3 LYS 31 lone 6 100 - 6 - HD2 LYS 86 - HE2 LYS 31 lone 5 86 - 5 - HD3 LYS 86 - HE2 LYS 31 lone 5 86 - 5 - HD2 LYS 86 - HE3 LYS 19 lone 5 86 - 5 - HD3 LYS 86 - HE3 LYS 19 lone 5 86 - 5 - HD3 LYS 95 - HE3 LYS 31 lone 3 100 - 3 - HD2 LYS 86 - HE3 LYS 26 lone 3 100 - 3 - HD3 LYS 86 - HE3 LYS 26 lone 3 100 - 3 - HD3 LYS 86 - HE2 LYS 26 lone 3 100 - 3 - HD2 LYS 86 - HE2 LYS 26 lone 3 100 - 3 - HD3 LYS 95 - HE2 LYS 31 lone 2 86 - 3 - HD2 LYS 95 - HE3 LYS 31 lone 2 87 - 3 - HD2 LYS 95 - HE2 LYS 31 lone 2 70 - 3 - HD3 LYS 95 - HE2 LYS 26 lone 2 100 - 2 - HD3 LYS 95 - HE3 LYS 26 lone 2 100 - 2 - HD2 LYS 95 - HE2 LYS 26 lone 1 87 - 1 - HD2 LYS 95 - HE3 LYS 26 lone 1 87 - 1 - HB2 LEU 69 - HE3 LYS 31 lone 1 65 - 1 - HB2 LEU 98 - HE3 LYS 26 lone 1 73 - 1 - HB2 LEU 98 - HE2 LYS 26 lone 1 73 - 1 - HB2 LEU 98 - HE3 LYS 31 lone 1 73 - 1 - HB2 LEU 69 - HE2 LYS 31 lone 1 50 - 1 - QB ALA 88 - HE2 LYS 26 lone 0 100 - 0 - QB ALA 88 - HE3 LYS 26 lone 0 100 - 0 - HB2 LEU 98 - HE2 LYS 31 lone 1 57 - 1 - HB2 LEU 98 - HE3 LYS 19 lone 0 57 - 1 - QB ALA 88 - HE3 LYS 31 lone 0 100 - 0 - HD3 LYS 95 - HE3 LYS 19 lone 0 86 - 0 - QB ALA 88 - HE2 LYS 31 lone 0 86 - 0 - HD2 LYS 95 - HE3 LYS 19 lone 0 70 - 0 - HB2 LEU 69 - HE2 LYS 26 lone 0 65 - 0 - HB2 LEU 69 - HE3 LYS 26 lone 0 65 - 0 - QB ALA 88 - HE3 LYS 19 lone 0 86 - 0 - HB2 LEU 69 - HE3 LYS 19 lone 0 50 - 0 - Peak 688 from cnoeabs.peaks (1.66, 2.97, 41.80 ppm; 2.50 A): 8 out of 75 assignments used, quality = 1.00: HD3 LYS 31 + HE3 LYS 31 OK 74 99 - 75 - 3.0=58, 2.9/881=3...(12) HD2 LYS 31 + HE3 LYS 31 OK 73 98 - 75 - 3.0=58, 2.9/881=3...(12) HD3 LYS 26 + HE2 LYS 26 OK 72 100 - 72 - 3.0=58, 2.9/634=3...(13) * HD3 LYS 26 + HE3 LYS 26 OK 72 100 - 72 - 3.0=58, 2.9/634=3...(13) HD2 LYS 26 + HE2 LYS 26 OK 72 99 - 72 - 3.0=58, 2.9/634=3...(13) HD2 LYS 26 + HE3 LYS 26 OK 72 99 - 72 - 3.0=58, 2.9/634=3...(13) HD3 LYS 31 + HE2 LYS 31 OK 63 85 - 74 - 3.0=58, 839/3.7=3...(11) HD2 LYS 31 + HE2 LYS 31 OK 61 83 - 74 - 3.0=58, 839/3.7=3...(11) HD2 LYS 19 - HE3 LYS 19 OK 39 50 - 76 - 2.9=62, 3.0/329=5...(22) HD3 LYS 19 - HE3 LYS 19 OK 39 50 - 76 - 2.9=62, 3.0/329=5...(22) HD3 LYS 31 - HE3 LYS 26 OK 27 99 - 27 - 2.9/841=2, 632/3.6=2...(5) HD3 LYS 31 - HE2 LYS 26 OK 27 99 - 27 - 2.9/841=2, 632/3.6=2...(5) HD2 LYS 31 - HE2 LYS 26 OK 26 98 - 27 - 2.9/841=2, 632/3.6=2...(5) HD2 LYS 31 - HE3 LYS 26 OK 26 98 - 27 - 2.9/841=2, 632/3.6=2...(5) HD3 LYS 26 - HE3 LYS 31 OK 23 100 - 23 - 2.9/635=2, 839/3.7=2...(4) HD2 LYS 26 - HE3 LYS 31 OK 22 99 - 23 - 2.9/635=2, 839/3.7=2...(4) HD3 LYS 26 - HE2 LYS 31 OK 19 87 - 22 - 2.9/634=2, 839/3.7=2...(4) HD2 LYS 26 - HE2 LYS 31 OK 18 85 - 22 - 2.9/634=2, 839/3.7=2...(4) HD3 LYS 24 - HE3 LYS 31 OK 17 99 - 17 - 839/3.7=1, 828/3.7=1 HD2 LYS 24 - HE3 LYS 31 OK 17 98 - 17 - 839/3.7=1, 828/3.7=1 HD3 LYS 31 - HE3 LYS 19 OK 14 85 - 17 - 2.9/841=1, 2.9/830=1 HD2 LYS 31 - HE3 LYS 19 OK 14 83 - 17 - 2.9/841=1, 2.9/830=1 HD3 LYS 24 - HE3 LYS 26 OK 14 99 - 14 - 632/3.6=1 HD3 LYS 24 - HE2 LYS 26 OK 14 99 - 14 - 632/3.6=1 HD2 LYS 24 - HE2 LYS 26 OK 14 98 - 14 - 632/3.6=1 HD2 LYS 24 - HE3 LYS 26 OK 14 98 - 14 - 632/3.6=1 HD3 LYS 24 - HE3 LYS 19 OK 13 85 - 16 - HD2 LYS 24 - HE3 LYS 19 OK 13 83 - 16 - HD3 LYS 24 - HE2 LYS 31 OK 13 85 - 15 - 839/3.7=1, 828/3.7=1 HD2 LYS 24 - HE2 LYS 31 OK 12 83 - 15 - 839/3.7=1, 828/3.7=1 HD3 LYS 26 - HE3 LYS 19 poor 10 87 - 11 - 2.9/634=1 HD2 LYS 26 - HE3 LYS 19 poor 9 85 - 11 - 2.9/635=1 HD2 LYS 19 - HE3 LYS 31 poor 9 65 - 13 - 3.0/329=2 HD3 LYS 19 - HE3 LYS 31 poor 9 65 - 13 - 3.0/329=2 HD2 LYS 19 - HE2 LYS 26 poor 8 65 - 13 - 3.0/329=1 HD2 LYS 19 - HE3 LYS 26 poor 8 65 - 13 - 3.0/329=1 HD3 LYS 19 - HE3 LYS 26 poor 8 65 - 13 - 3.0/329=1 HD3 LYS 19 - HE2 LYS 26 poor 8 65 - 13 - 3.0/329=1 HD2 LYS 86 - HE3 LYS 31 lone 6 100 - 6 - HD3 LYS 86 - HE3 LYS 31 lone 6 100 - 6 - HD3 LYS 19 - HE2 LYS 31 poor 6 50 - 12 - 3.0/329=2 HD2 LYS 19 - HE2 LYS 31 poor 6 50 - 12 - 3.0/329=2 HD3 LYS 86 - HE2 LYS 31 lone 5 86 - 5 - HD2 LYS 86 - HE2 LYS 31 lone 5 86 - 5 - HD2 LYS 86 - HE3 LYS 19 lone 5 86 - 5 - HD3 LYS 86 - HE3 LYS 19 lone 5 86 - 5 - HD3 LYS 95 - HE3 LYS 31 lone 3 100 - 3 - HD2 LYS 86 - HE2 LYS 26 lone 3 100 - 3 - HD2 LYS 86 - HE3 LYS 26 lone 3 100 - 3 - HD3 LYS 86 - HE2 LYS 26 lone 3 100 - 3 - HD3 LYS 86 - HE3 LYS 26 lone 3 100 - 3 - HD2 LYS 95 - HE3 LYS 31 lone 3 96 - 3 - HD3 LYS 95 - HE2 LYS 31 lone 2 86 - 3 - HB2 LEU 123 - HE3 LYS 19 lone 3 57 - 4 - 3.2/10705=1 HB2 LEU 123 - HE3 LYS 26 lone 2 73 - 3 - HB2 LEU 123 - HE2 LYS 26 lone 2 73 - 3 - HD2 LYS 95 - HE2 LYS 31 lone 2 79 - 3 - HD3 LYS 95 - HE2 LYS 26 lone 2 100 - 2 - HD3 LYS 95 - HE3 LYS 26 lone 2 100 - 2 - HD2 LYS 95 - HE3 LYS 26 lone 1 96 - 1 - HD2 LYS 95 - HE2 LYS 26 lone 1 96 - 1 - HB2 LEU 98 - HE2 LYS 26 lone 1 87 - 1 - HB2 LEU 98 - HE3 LYS 26 lone 1 87 - 1 - HB2 LEU 98 - HE3 LYS 31 lone 1 87 - 1 - HB2 LEU 98 - HE3 LYS 19 lone 1 70 - 1 - HB2 LEU 98 - HE2 LYS 31 lone 1 70 - 1 - QB ALA 88 - HE2 LYS 26 lone 0 98 - 0 - QB ALA 88 - HE3 LYS 26 lone 0 98 - 0 - HB2 LEU 123 - HE3 LYS 31 lone 0 73 - 1 - QB ALA 88 - HE3 LYS 31 lone 0 98 - 0 - HD3 LYS 95 - HE3 LYS 19 lone 0 86 - 0 - QB ALA 88 - HE2 LYS 31 lone 0 83 - 0 - HD2 LYS 95 - HE3 LYS 19 lone 0 79 - 0 - HB2 LEU 123 - HE2 LYS 31 lone 0 57 - 1 - QB ALA 88 - HE3 LYS 19 lone 0 83 - 0 - Peak 689 from cnoeabs.peaks (2.97, 2.97, 41.80 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HE3 LYS 26 + HE3 LYS 26 OK 100 100 - 100 HE3 LYS 31 + HE3 LYS 31 OK 100 100 - 100 HE2 LYS 26 + HE2 LYS 26 OK 100 100 - 100 HE3 LYS 19 + HE3 LYS 19 OK 83 83 - 100 HE2 LYS 31 + HE2 LYS 31 OK 83 83 - 100 Reference assignment not found: HE2 LYS 26 - HE3 LYS 26 Peak 690 from cnoeabs.peaks (2.97, 2.97, 41.80 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HE3 LYS 26 + HE3 LYS 26 OK 100 100 - 100 HE3 LYS 31 + HE3 LYS 31 OK 100 100 - 100 HE2 LYS 26 + HE2 LYS 26 OK 100 100 - 100 HE3 LYS 19 + HE3 LYS 19 OK 83 83 - 100 HE2 LYS 31 + HE2 LYS 31 OK 83 83 - 100 Peak 692 from cnoeabs.peaks (8.39, 4.24, 56.10 ppm; 2.89 A): 1 out of 4 assignments used, quality = 0.98: * H GLN 27 + HA GLN 27 OK 98 100 - 98 - 3.0=94, 6271/3.0=20...(10) H ASP 35 - HA GLN 27 OK 15 99 - 15 - 701/3.0=4, 710/3.0=3...(5) H THR 65 - HA GLN 27 lone 3 73 - 3 - H HIS 3 - HA GLN 27 lone 1 65 - 1 - Peak 693 from cnoeabs.peaks (4.24, 4.24, 56.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLN 27 + HA GLN 27 OK 100 100 - 100 Peak 694 from cnoeabs.peaks (1.96, 4.24, 56.10 ppm; 2.95 A): 1 out of 3 assignments used, quality = 0.99: * HB2 GLN 27 + HA GLN 27 OK 99 100 - 99 - 3.0=96, 6271/3.0=21...(18) HB ILE 37 - HA GLN 27 OK 28 98 - 28 - 712/3.0=5, 2.1/10760=5...(11) HB2 GLU 30 - HA GLN 27 lone 2 65 - 4 - 6297/3.6=1 Peak 695 from cnoeabs.peaks (2.06, 4.24, 56.10 ppm; 3.04 A): 2 out of 7 assignments used, quality = 1.00: * HB3 GLN 27 + HA GLN 27 OK 100 100 - 100 - 3.0=100 HB2 GLN 127 + HA GLN 27 OK 49 96 - 52 - 3.0/11606=11, 1.8/4049=6...(20) HB VAL 118 - HA GLN 27 OK 15 96 - 16 - 704/3.0=3, 731/3.7=2...(8) HG2 PRO 117 - HA GLN 27 OK 13 81 - 16 - 731/3.7=2, 704/3.0=2...(5) HG3 PRO 113 - HA GLN 27 lone 7 100 - 7 - 704/3.0=1 HB2 LEU 62 - HA GLN 27 lone 7 96 - 7 - HG3 PRO 81 - HA GLN 27 lone 1 65 - 1 - Peak 696 from cnoeabs.peaks (2.35, 4.24, 56.10 ppm; 3.27 A): 3 out of 5 assignments used, quality = 1.00: * HG2 GLN 27 + HA GLN 27 OK 95 100 - 95 - 3.7=68, 721/3.0=24...(17) HG3 GLN 27 + HA GLN 27 OK 82 87 - 95 - 3.7=68, 1.8/720=23...(18) HG2 GLN 127 + HA GLN 27 OK 55 99 - 55 - 11606=23, 1.8/11607=7...(15) HB2 PRO 117 - HA GLN 27 poor 8 65 - 12 - 2.3/695=2, 715/3.0=2, 706/3.0=2 HG2 GLU 102 - HA GLN 27 lone 3 87 - 3 - Peak 697 from cnoeabs.peaks (2.36, 4.24, 56.10 ppm; 3.27 A): 3 out of 5 assignments used, quality = 1.00: * HG3 GLN 27 + HA GLN 27 OK 95 100 - 95 - 3.7=68, 730/3.0=24...(18) HG2 GLN 27 + HA GLN 27 OK 82 87 - 95 - 3.7=68, 1.8/729=23...(17) HG2 GLN 127 + HA GLN 27 OK 51 96 - 54 - 11606=21, 1.8/11607=7...(15) HB2 PRO 117 - HA GLN 27 OK 14 98 - 14 - 715/3.0=2, 706/3.0=2...(4) HG2 GLU 102 - HA GLN 27 lone 4 100 - 4 - Peak 700 from cnoeabs.peaks (8.33, 4.24, 56.10 ppm; 2.71 A): 1 out of 4 assignments used, quality = 0.76: * H ALA 28 + HA GLN 27 OK 76 100 - 76 - 3.6=44, 6295/3.0=20...(14) H TYR 72 - HA GLN 27 lone 5 92 - 6 - 709/3.0=1, 718/3.0=1, 6277/3.0=1 H GLU 44 - HA GLN 27 lone 5 87 - 6 - 709/3.0=1, 718/3.0=1, 6277/3.0=1 H GLY 17 - HA GLN 27 lone 3 81 - 3 - Peak 701 from cnoeabs.peaks (8.39, 1.96, 29.32 ppm; 3.14 A): 2 out of 4 assignments used, quality = 0.90: * H GLN 27 + HB2 GLN 27 OK 87 100 - 87 - 4.0=47, 710/1.8=25...(14) H ASP 35 + HB2 GLN 27 OK 23 99 - 23 - 710/1.8=6, 728/3.0=4...(9) H THR 65 - HB2 GLN 27 lone 3 73 - 4 - 710/1.8=1 H HIS 3 - HB2 GLN 27 lone 1 65 - 2 - Peak 702 from cnoeabs.peaks (4.24, 1.96, 29.32 ppm; 3.00 A): 2 out of 4 assignments used, quality = 1.00: * HA GLN 27 + HB2 GLN 27 OK 100 100 - 100 - 3.0=100 HA ALA 28 + HB2 GLN 27 OK 59 87 - 68 - 3.0/6297=16, 711/1.8=11...(20) HA SER 124 - HB2 GLN 27 lone 10 98 - 10 - 3966/1.8=2, 729/3.0=1, 720/3.0=1 HA ARG 84 - HB2 GLN 27 lone 4 96 - 4 - Peak 703 from cnoeabs.peaks (1.96, 1.96, 29.32 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 27 + HB2 GLN 27 OK 100 100 - 100 Peak 704 from cnoeabs.peaks (2.06, 1.96, 29.32 ppm; 2.50 A): 1 out of 7 assignments used, quality = 1.00: * HB3 GLN 27 + HB2 GLN 27 OK 100 100 - 100 - 1.8=100 HB2 GLN 127 - HB2 GLN 27 OK 30 96 - 32 - 722/3.0=4, 731/3.0=4...(16) HB VAL 118 - HB2 GLN 27 OK 16 96 - 16 - ~10266=3, ~10268=3...(8) HG2 PRO 117 - HB2 GLN 27 OK 11 81 - 14 - 731/3.0=2, 2.3/706=2...(4) HG3 PRO 113 - HB2 GLN 27 lone 6 100 - 6 - HB2 LEU 62 - HB2 GLN 27 lone 4 96 - 4 - HG3 PRO 81 - HB2 GLN 27 lone 1 65 - 1 - Peak 705 from cnoeabs.peaks (2.35, 1.96, 29.32 ppm; 3.08 A): 2 out of 5 assignments used, quality = 1.00: * HG2 GLN 27 + HB2 GLN 27 OK 100 100 - 100 - 3.0=100 HG3 GLN 27 + HB2 GLN 27 OK 87 87 - 100 - 3.0=100 HG2 GLN 127 - HB2 GLN 27 OK 44 99 - 44 - 11606/3.0=11, 4061/1.8=7...(18) HB2 PRO 117 - HB2 GLN 27 OK 13 65 - 20 - 2.3/704=2, 715/1.8=2...(8) HG2 GLU 102 - HB2 GLN 27 lone 4 87 - 4 - Peak 706 from cnoeabs.peaks (2.36, 1.96, 29.32 ppm; 3.08 A): 2 out of 5 assignments used, quality = 1.00: * HG3 GLN 27 + HB2 GLN 27 OK 100 100 - 100 - 3.0=100 HG2 GLN 27 + HB2 GLN 27 OK 87 87 - 100 - 3.0=100 HG2 GLN 127 - HB2 GLN 27 OK 41 96 - 43 - 11606/3.0=11, 4061/1.8=7...(18) HB2 PRO 117 - HB2 GLN 27 OK 21 98 - 21 - 715/1.8=3, 2.3/704=2...(10) HG2 GLU 102 - HB2 GLN 27 lone 5 100 - 5 - Peak 709 from cnoeabs.peaks (8.33, 1.96, 29.32 ppm; 3.92 A): 1 out of 4 assignments used, quality = 0.96: * H ALA 28 + HB2 GLN 27 OK 96 100 - 96 - 4.6=61, 700/3.0=34...(16) H GLU 44 - HB2 GLN 27 OK 14 87 - 16 - 718/1.8=4, 736/3.0=2...(6) H TYR 72 - HB2 GLN 27 OK 13 92 - 14 - 718/1.8=4, 700/3.0=2...(6) H GLY 17 - HB2 GLN 27 lone 7 81 - 8 - 718/1.8=2, 736/3.0=1...(5) Peak 710 from cnoeabs.peaks (8.39, 2.06, 29.32 ppm; 3.30 A): 2 out of 4 assignments used, quality = 0.94: * H GLN 27 + HB3 GLN 27 OK 92 100 - 92 - 4.0=54, 6271/1.8=36...(14) H ASP 35 + HB3 GLN 27 OK 21 99 - 21 - 701/1.8=8, 728/3.0=4...(6) H THR 65 - HB3 GLN 27 lone 4 73 - 5 - 701/1.8=1 H HIS 3 - HB3 GLN 27 lone 1 65 - 2 - Peak 711 from cnoeabs.peaks (4.24, 2.06, 29.32 ppm; 3.09 A): 2 out of 4 assignments used, quality = 1.00: * HA GLN 27 + HB3 GLN 27 OK 100 100 - 100 - 3.0=100 HA ALA 28 + HB3 GLN 27 OK 62 87 - 72 - 3.0/6298=15, 702/1.8=12...(20) HA SER 124 - HB3 GLN 27 OK 13 98 - 13 - 3966=2, 702/1.8=2...(4) HA ARG 84 - HB3 GLN 27 lone 5 96 - 5 - Peak 712 from cnoeabs.peaks (1.96, 2.06, 29.32 ppm; 2.50 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLN 27 + HB3 GLN 27 OK 100 100 - 100 - 1.8=100 HB ILE 37 - HB3 GLN 27 OK 22 98 - 23 - 694/3.0=3, 730/3.0=3...(11) HB2 GLU 30 - HB3 GLN 27 lone 2 65 - 2 - Peak 713 from cnoeabs.peaks (2.06, 2.06, 29.32 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 27 + HB3 GLN 27 OK 100 100 - 100 Peak 714 from cnoeabs.peaks (2.35, 2.06, 29.32 ppm; 3.07 A): 3 out of 5 assignments used, quality = 1.00: * HG2 GLN 27 + HB3 GLN 27 OK 100 100 - 100 - 3.0=100 HG3 GLN 27 + HB3 GLN 27 OK 87 87 - 100 - 3.0=100 HG2 GLN 127 + HB3 GLN 27 OK 51 99 - 52 - 11606/3.0=11, 4061=8...(22) HB2 PRO 117 - HB3 GLN 27 OK 13 65 - 21 - 706/1.8=2, ~3704=2...(8) HG2 GLU 102 - HB3 GLN 27 lone 4 87 - 5 - Peak 715 from cnoeabs.peaks (2.36, 2.06, 29.32 ppm; 3.07 A): 3 out of 5 assignments used, quality = 1.00: * HG3 GLN 27 + HB3 GLN 27 OK 100 100 - 100 - 3.0=100 HG2 GLN 27 + HB3 GLN 27 OK 87 87 - 100 - 3.0=100 HG2 GLN 127 + HB3 GLN 27 OK 48 96 - 51 - 11606/3.0=11, 4061=8...(22) HB2 PRO 117 - HB3 GLN 27 OK 22 98 - 22 - 706/1.8=3, ~3704=2...(11) HG2 GLU 102 - HB3 GLN 27 lone 5 100 - 5 - Peak 718 from cnoeabs.peaks (8.33, 2.06, 29.32 ppm; 3.83 A): 1 out of 4 assignments used, quality = 0.95: * H ALA 28 + HB3 GLN 27 OK 95 100 - 95 - 4.6=57, 700/3.0=33...(15) H GLU 44 - HB3 GLN 27 OK 13 87 - 15 - 709/1.8=4, 736/3.0=2...(6) H TYR 72 - HB3 GLN 27 OK 12 92 - 13 - 709/1.8=4, 700/3.0=2...(5) H GLY 17 - HB3 GLN 27 lone 6 81 - 7 - 709/1.8=2, 736/3.0=1...(5) Peak 719 from cnoeabs.peaks (8.39, 2.35, 33.67 ppm; 3.29 A): 2 out of 4 assignments used, quality = 0.86: * H GLN 27 + HG2 GLN 27 OK 84 100 - 84 - 4.6=36, 6271/3.0=26...(12) H ASP 35 + HG2 GLN 27 OK 15 99 - 15 - 701/3.0=6, 710/3.0=5...(5) H THR 65 - HG2 GLN 27 lone 3 73 - 4 - H HIS 3 - HG2 GLN 27 lone 1 65 - 1 - Peak 720 from cnoeabs.peaks (4.24, 2.35, 33.67 ppm; 3.01 A): 2 out of 4 assignments used, quality = 0.94: * HA GLN 27 + HG2 GLN 27 OK 89 100 - 89 - 3.7=53, 3.0/721=21...(17) HA ALA 28 + HG2 GLN 27 OK 47 87 - 55 - 3.0/727=13, 702/3.0=8...(14) HA SER 124 - HG2 GLN 27 lone 7 98 - 8 - 3966/3.0=2, 702/3.0=1 HA ARG 84 - HG2 GLN 27 lone 3 96 - 3 - Peak 721 from cnoeabs.peaks (1.96, 2.35, 33.67 ppm; 2.83 A): 1 out of 3 assignments used, quality = 0.95: * HB2 GLN 27 + HG2 GLN 27 OK 95 100 - 95 - 3.0=88, 1.8/722=18...(15) HB ILE 37 - HG2 GLN 27 OK 18 98 - 19 - 712/3.0=5, 694/3.7=3...(9) HB2 GLU 30 - HG2 GLN 27 lone 1 65 - 2 - Peak 722 from cnoeabs.peaks (2.06, 2.35, 33.67 ppm; 2.66 A): 2 out of 7 assignments used, quality = 0.94: * HB3 GLN 27 + HG2 GLN 27 OK 90 100 - 90 - 3.0=73, 1.8/721=24...(14) HB2 GLN 127 + HG2 GLN 27 OK 40 96 - 42 - 4044=6, 4044/1.8=5...(18) HB VAL 118 - HG2 GLN 27 OK 18 96 - 19 - 2.1/10266=4, 2.1/10268=4...(6) HG2 PRO 117 - HG2 GLN 27 OK 15 81 - 18 - ~3704=2, 704/3.0=2...(7) HG3 PRO 113 - HG2 GLN 27 lone 5 100 - 5 - HB2 LEU 62 - HG2 GLN 27 lone 4 96 - 4 - HG3 PRO 81 - HG2 GLN 27 lone 1 65 - 2 - Peak 723 from cnoeabs.peaks (2.35, 2.35, 33.67 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 27 + HG2 GLN 27 OK 100 100 - 100 Peak 724 from cnoeabs.peaks (2.36, 2.35, 33.67 ppm; diagonal): 1 out of 1 assignment used, quality = 0.87: HG2 GLN 27 + HG2 GLN 27 OK 87 87 - 100 Reference assignment not found: HG3 GLN 27 - HG2 GLN 27 Peak 725 from cnoeabs.peaks (6.85, 2.35, 33.67 ppm; 3.74 A): 1 out of 2 assignments used, quality = 1.00: * HE21 GLN 27 + HG2 GLN 27 OK 100 100 - 100 - 3.5=100 HE21 GLN 68 - HG2 GLN 27 lone 2 73 - 3 - Peak 726 from cnoeabs.peaks (7.54, 2.35, 33.67 ppm; 3.63 A): 1 out of 3 assignments used, quality = 1.00: * HE22 GLN 27 + HG2 GLN 27 OK 100 100 - 100 - 3.5=100 H LEU 119 - HG2 GLN 27 OK 11 73 - 15 - 4.1/10268=6, 4.3/10266=5 H VAL 77 - HG2 GLN 27 lone 7 73 - 9 - 11146/3.5=7 Peak 727 from cnoeabs.peaks (8.33, 2.35, 33.67 ppm; 4.06 A): 1 out of 4 assignments used, quality = 0.94: * H ALA 28 + HG2 GLN 27 OK 94 100 - 94 - 4.9=59, 700/3.7=30...(13) H TYR 72 - HG2 GLN 27 poor 10 92 - 11 - 709/3.0=3, 718/3.0=3...(4) H GLU 44 - HG2 GLN 27 poor 10 87 - 11 - 709/3.0=3, 718/3.0=3...(4) H GLY 17 - HG2 GLN 27 lone 5 81 - 6 - 709/3.0=2, 718/3.0=2...(4) Peak 728 from cnoeabs.peaks (8.39, 2.36, 33.67 ppm; 3.29 A): 2 out of 4 assignments used, quality = 0.88: * H GLN 27 + HG3 GLN 27 OK 85 100 - 86 - 4.6=36, 6271/3.0=26...(14) H ASP 35 + HG3 GLN 27 OK 16 99 - 16 - 701/3.0=6, 710/3.0=5...(5) H THR 65 - HG3 GLN 27 lone 3 73 - 4 - H HIS 3 - HG3 GLN 27 lone 1 65 - 1 - Peak 729 from cnoeabs.peaks (4.24, 2.36, 33.67 ppm; 3.01 A): 2 out of 4 assignments used, quality = 0.94: * HA GLN 27 + HG3 GLN 27 OK 89 100 - 89 - 3.7=53, 3.0/730=21...(18) HA ALA 28 + HG3 GLN 27 OK 47 87 - 55 - 3.0/736=12, 702/3.0=8...(14) HA SER 124 - HG3 GLN 27 lone 8 98 - 8 - 3966/3.0=2, 702/3.0=1 HA ARG 84 - HG3 GLN 27 lone 2 96 - 2 - Peak 730 from cnoeabs.peaks (1.96, 2.36, 33.67 ppm; 2.83 A): 1 out of 3 assignments used, quality = 0.95: * HB2 GLN 27 + HG3 GLN 27 OK 95 100 - 95 - 3.0=88, 1.8/731=18...(15) HB ILE 37 - HG3 GLN 27 OK 19 98 - 19 - 712/3.0=5, 694/3.7=3...(9) HB2 GLU 30 - HG3 GLN 27 lone 1 65 - 2 - Peak 731 from cnoeabs.peaks (2.06, 2.36, 33.67 ppm; 2.66 A): 2 out of 7 assignments used, quality = 0.94: * HB3 GLN 27 + HG3 GLN 27 OK 90 100 - 90 - 3.0=73, 1.8/730=24...(14) HB2 GLN 127 + HG3 GLN 27 OK 39 96 - 41 - 4044=6, 4044/1.8=5...(18) HB VAL 118 - HG3 GLN 27 OK 21 96 - 22 - ~10266=6, ~10268=5...(7) HG2 PRO 117 - HG3 GLN 27 OK 18 81 - 23 - 2.3/3704=4, 1.8/3720=2...(8) HG3 PRO 113 - HG3 GLN 27 lone 5 100 - 5 - HB2 LEU 62 - HG3 GLN 27 lone 4 96 - 4 - HG3 PRO 81 - HG3 GLN 27 lone 1 65 - 2 - Peak 732 from cnoeabs.peaks (2.35, 2.36, 33.67 ppm; diagonal): 1 out of 1 assignment used, quality = 0.87: HG3 GLN 27 + HG3 GLN 27 OK 87 87 - 100 Reference assignment not found: HG2 GLN 27 - HG3 GLN 27 Peak 733 from cnoeabs.peaks (2.36, 2.36, 33.67 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 27 + HG3 GLN 27 OK 100 100 - 100 Peak 734 from cnoeabs.peaks (6.85, 2.36, 33.67 ppm; 3.74 A): 1 out of 2 assignments used, quality = 1.00: * HE21 GLN 27 + HG3 GLN 27 OK 100 100 - 100 - 3.5=100 HE21 GLN 68 - HG3 GLN 27 lone 2 73 - 3 - Peak 735 from cnoeabs.peaks (7.54, 2.36, 33.67 ppm; 3.63 A): 1 out of 3 assignments used, quality = 1.00: * HE22 GLN 27 + HG3 GLN 27 OK 100 100 - 100 - 3.5=100 H VAL 77 - HG3 GLN 27 lone 7 73 - 9 - 11146/3.5=7 H LEU 119 - HG3 GLN 27 lone 5 73 - 7 - 4.6/731=2, 4.6/7633=2 Peak 736 from cnoeabs.peaks (8.33, 2.36, 33.67 ppm; 4.06 A): 2 out of 4 assignments used, quality = 0.95: * H ALA 28 + HG3 GLN 27 OK 94 100 - 94 - 4.9=59, 700/3.7=30...(13) H GLU 44 + HG3 GLN 27 OK 10 87 - 12 - 709/3.0=3, 718/3.0=3...(4) H TYR 72 - HG3 GLN 27 poor 10 92 - 11 - 709/3.0=3, 718/3.0=3...(4) H GLY 17 - HG3 GLN 27 lone 6 81 - 7 - 709/3.0=2, 718/3.0=2...(4) Peak 737 from cnoeabs.peaks (8.33, 4.24, 52.47 ppm; 3.45 A): 1 out of 4 assignments used, quality = 1.00: * H ALA 28 + HA ALA 28 OK 100 100 - 100 - 3.0=100 H GLU 44 - HA ALA 28 lone 6 87 - 7 - ~1391=1, 741/2.1=1, 6307/3.6=1 H TYR 72 - HA ALA 28 lone 5 92 - 5 - H GLY 17 - HA ALA 28 lone 2 81 - 2 - Peak 738 from cnoeabs.peaks (4.24, 4.24, 52.47 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 28 + HA ALA 28 OK 100 100 - 100 Peak 739 from cnoeabs.peaks (1.38, 4.24, 52.47 ppm; 2.50 A): 2 out of 15 assignments used, quality = 1.00: * QB ALA 28 + HA ALA 28 OK 100 100 - 100 - 2.1=100 QB ALA 29 + HA ALA 28 OK 46 98 - 47 - 2.9/740=19, 742=8...(12) HG3 LYS 26 - HA ALA 28 lone 4 99 - 4 - 6304/3.0=1, 5.0/6270=1 HB2 LEU 96 - HA ALA 28 lone 2 98 - 2 - QB ALA 15 - HA ALA 28 lone 2 100 - 2 - HG2 LYS 36 - HA ALA 28 lone 2 98 - 2 - QB ALA 110 - HA ALA 28 lone 1 100 - 1 - HB2 LEU 42 - HA ALA 28 lone 1 92 - 1 - HG2 LYS 24 - HA ALA 28 lone 1 96 - 1 - QB ALA 108 - HA ALA 28 lone 1 100 - 1 - HG3 LYS 95 - HA ALA 28 lone 1 99 - 1 - HG2 LYS 95 - HA ALA 28 lone 1 96 - 1 - HG3 LYS 31 - HA ALA 28 lone 1 81 - 1 - HB3 LEU 100 - HA ALA 28 lone 1 96 - 1 - QB ALA 109 - HA ALA 28 lone 1 92 - 1 - Peak 740 from cnoeabs.peaks (8.25, 4.24, 52.47 ppm; 2.50 A): 1 out of 2 assignments used, quality = 0.57: * H ALA 29 + HA ALA 28 OK 57 100 - 57 - 3.6=34, 6305/3.0=14...(8) H ARG 23 - HA ALA 28 lone 3 98 - 3 - 6305/3.0=2 Peak 741 from cnoeabs.peaks (8.33, 1.38, 19.08 ppm; 2.50 A): 2 out of 20 assignments used, quality = 0.87: * H ALA 28 + QB ALA 28 OK 77 100 - 77 - 2.9=63, 6296/2.1=13...(11) H ALA 28 + QB ALA 29 OK 43 87 - 50 - 6304=15, 6305/2.9=14...(13) H GLY 17 - QB ALA 15 poor 8 68 - 13 - 6127/3.7=6, 6131/4.7=4 H GLU 44 - QB ALA 28 lone 4 87 - 5 - 4.8/10948=1 H ALA 28 - QB ALA 15 lone 3 91 - 3 - H TYR 72 - QB ALA 28 lone 3 92 - 3 - H TYR 72 - QB ALA 15 lone 2 79 - 3 - 6127/3.7=1 H GLU 44 - QB ALA 29 lone 2 70 - 3 - H GLY 17 - QB ALA 28 lone 1 81 - 1 - H ALA 28 - QB ALA 110 lone 1 69 - 1 - H ALA 28 - QB ALA 108 lone 1 63 - 1 - H TYR 72 - QB ALA 29 lone 1 75 - 1 - H GLY 17 - QB ALA 110 lone 0 49 - 1 - H GLY 17 - QB ALA 108 lone 0 44 - 1 - H GLY 17 - QB ALA 29 lone 0 64 - 1 - H GLU 44 - QB ALA 15 lone 0 74 - 1 - H TYR 72 - QB ALA 110 lone 0 58 - 1 - H GLU 44 - QB ALA 110 lone 0 54 - 0 - H GLU 44 - QB ALA 108 lone 0 48 - 0 - H TYR 72 - QB ALA 108 lone 0 52 - 0 - Peak 742 from cnoeabs.peaks (4.24, 1.38, 19.08 ppm; 2.50 A): 2 out of 30 assignments used, quality = 1.00: * HA ALA 28 + QB ALA 28 OK 100 100 - 100 - 2.1=100 HA ALA 29 + QB ALA 29 OK 50 50 - 100 - 2.1=100 HA ALA 28 - QB ALA 29 OK 43 87 - 49 - 740/2.9=19, 739=14...(11) HA GLN 27 - QB ALA 28 OK 37 87 - 42 - 700/2.9=12, 10768=6...(15) HA ALA 29 - QB ALA 28 OK 24 65 - 37 - 2.9/744=8, 747=6, ~740=6...(12) HA GLN 27 - QB ALA 29 OK 11 70 - 16 - 3.6/6304=4, 6308/2.9=3...(6) HA ALA 28 - QB ALA 15 lone 2 91 - 2 - HA SER 124 - QB ALA 28 lone 2 98 - 2 - HA SER 94 - QB ALA 28 lone 1 92 - 2 - HA SER 94 - QB ALA 29 lone 1 75 - 1 - HA ALA 28 - QB ALA 110 lone 1 69 - 1 - HA GLN 27 - QB ALA 15 lone 1 74 - 1 - HA ALA 28 - QB ALA 108 lone 1 63 - 1 - HA ALA 29 - QB ALA 15 lone 1 54 - 1 - HA ARG 84 - QB ALA 28 lone 1 57 - 1 - HA SER 124 - QB ALA 29 lone 0 83 - 0 - HA GLN 27 - QB ALA 110 lone 0 54 - 1 - HA GLN 27 - QB ALA 108 lone 0 48 - 1 - HA SER 94 - QB ALA 15 lone 0 79 - 0 - HA ALA 29 - QB ALA 110 lone 0 38 - 1 - HA ALA 29 - QB ALA 108 lone 0 34 - 1 - HA SER 94 - QB ALA 110 lone 0 58 - 0 - HA ARG 84 - QB ALA 29 lone 0 44 - 0 - HA SER 94 - QB ALA 108 lone 0 52 - 0 - HA SER 124 - QB ALA 15 lone 0 87 - 0 - HA SER 124 - QB ALA 110 lone 0 65 - 0 - HA SER 124 - QB ALA 108 lone 0 59 - 0 - HA ARG 84 - QB ALA 15 lone 0 47 - 0 - HA ARG 84 - QB ALA 110 lone 0 33 - 0 - HA ARG 84 - QB ALA 108 lone 0 29 - 0 - Peak 743 from cnoeabs.peaks (1.38, 1.38, 19.08 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * QB ALA 28 + QB ALA 28 OK 100 100 - 100 QB ALA 15 + QB ALA 15 OK 91 91 - 100 QB ALA 29 + QB ALA 29 OK 83 83 - 100 QB ALA 110 + QB ALA 110 OK 69 69 - 100 QB ALA 108 + QB ALA 108 OK 62 62 - 100 Peak 744 from cnoeabs.peaks (8.25, 1.38, 19.08 ppm; 2.50 A): 2 out of 10 assignments used, quality = 0.89: H ALA 29 + QB ALA 29 OK 70 87 - 80 - 2.9=62, 745/2.1=26...(12) * H ALA 29 + QB ALA 28 OK 64 100 - 64 - 3.7=31, 740/2.1=26...(10) H ARG 23 - QB ALA 15 lone 7 87 - 8 - ~10728=2, 6195/2.9=2, 6202/2.1=2 H ARG 23 - QB ALA 28 lone 5 98 - 4 - 6305/2.9=2, 740/2.1=1 H ARG 23 - QB ALA 29 lone 3 83 - 4 - 745/2.1=1 H ALA 29 - QB ALA 15 lone 2 91 - 2 - H ALA 29 - QB ALA 110 lone 1 69 - 1 - H ALA 29 - QB ALA 108 lone 1 63 - 1 - H ARG 23 - QB ALA 110 lone 1 65 - 1 - H ARG 23 - QB ALA 108 lone 0 59 - 1 - Peak 745 from cnoeabs.peaks (8.25, 4.23, 52.53 ppm; 2.50 A): 1 out of 2 assignments used, quality = 0.77: * H ALA 29 + HA ALA 29 OK 77 100 - 77 - 2.9=62, 749/2.1=14...(11) H ARG 23 - HA ALA 29 lone 4 98 - 4 - Peak 746 from cnoeabs.peaks (4.23, 4.23, 52.53 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 29 + HA ALA 29 OK 100 100 - 100 Peak 747 from cnoeabs.peaks (1.38, 4.23, 52.53 ppm; 2.50 A): 2 out of 14 assignments used, quality = 1.00: * QB ALA 29 + HA ALA 29 OK 100 100 - 100 - 2.1=100 QB ALA 28 + HA ALA 29 OK 46 98 - 47 - 3.7/745=13, 2.9/10778=11...(13) HB2 LEU 96 - HA ALA 29 lone 3 100 - 3 - HG3 LYS 26 - HA ALA 29 lone 3 100 - 3 - HG2 LYS 36 - HA ALA 29 lone 2 100 - 2 - HB3 LEU 100 - HA ALA 29 lone 2 100 - 2 - HG2 LYS 24 - HA ALA 29 lone 2 100 - 2 - QB ALA 15 - HA ALA 29 lone 2 99 - 2 - HG3 LYS 95 - HA ALA 29 lone 2 92 - 2 - HG2 LYS 95 - HA ALA 29 lone 1 81 - 2 - HB2 LEU 42 - HA ALA 29 lone 1 99 - 1 - QB ALA 110 - HA ALA 29 lone 1 99 - 1 - QB ALA 108 - HA ALA 29 lone 1 96 - 1 - QB ALA 109 - HA ALA 29 lone 1 73 - 1 - Peak 748 from cnoeabs.peaks (8.26, 4.23, 52.53 ppm; 2.58 A): 2 out of 3 assignments used, quality = 0.71: * H GLU 30 + HA ALA 29 OK 64 100 - 64 - 3.6=38, 6314/2.9=15...(11) H LEU 123 + HA ALA 29 OK 20 98 - 20 - 6312/2.9=6, 6315=5...(4) H ASP 131 - HA ALA 29 lone 1 73 - 2 - Peak 749 from cnoeabs.peaks (8.25, 1.38, 19.08 ppm; 2.50 A): 2 out of 10 assignments used, quality = 0.91: * H ALA 29 + QB ALA 29 OK 80 100 - 80 - 2.9=62, 745/2.1=26...(12) H ALA 29 + QB ALA 28 OK 56 87 - 64 - 3.7=31, 740/2.1=26...(10) H ARG 23 - QB ALA 15 lone 6 81 - 8 - ~10728=2, 6195/2.9=2, 6202/2.1=2 H ARG 23 - QB ALA 28 lone 4 83 - 4 - 6305/2.9=2, 740/2.1=1 H ARG 23 - QB ALA 29 lone 4 98 - 4 - 745/2.1=1 H ALA 29 - QB ALA 15 lone 2 85 - 2 - H ALA 29 - QB ALA 110 lone 1 64 - 1 - H ARG 23 - QB ALA 110 lone 1 60 - 1 - H ALA 29 - QB ALA 108 lone 0 40 - 1 - H ARG 23 - QB ALA 108 lone 0 37 - 1 - Peak 750 from cnoeabs.peaks (4.23, 1.38, 19.08 ppm; 2.50 A): 3 out of 30 assignments used, quality = 1.00: * HA ALA 29 + QB ALA 29 OK 100 100 - 100 - 2.1=100 HA ALA 28 + QB ALA 28 OK 50 50 - 100 - 2.1=100 HA GLU 30 + QB ALA 29 OK 48 98 - 49 - 4.9=13, 3.0/752=10...(15) HA ALA 29 - QB ALA 28 OK 43 87 - 49 - 747=14, 745/3.7=13...(12) HA ALA 28 - QB ALA 29 OK 25 65 - 38 - 740/2.9=8, 739=6...(11) HA GLU 30 - QB ALA 28 OK 13 83 - 16 - 3.0/752=4, 6310/3.7=3...(6) HA ALA 34 - QB ALA 29 lone 5 96 - 6 - 10868/2.9=4 HA ALA 34 - QB ALA 28 lone 3 79 - 4 - 10868/3.7=3 HA ALA 29 - QB ALA 15 lone 2 85 - 2 - HA GLU 30 - QB ALA 15 lone 1 81 - 2 - HA SER 94 - QB ALA 29 lone 1 96 - 1 - HA SER 94 - QB ALA 28 lone 1 79 - 2 - HA ALA 29 - QB ALA 110 lone 1 64 - 1 - HA ALA 28 - QB ALA 15 lone 1 49 - 1 - HA GLU 30 - QB ALA 110 lone 1 60 - 1 - HA GLU 30 - QB ALA 108 lone 1 37 - 2 - HB3 SER 38 - QB ALA 29 lone 1 87 - 1 - HA ALA 29 - QB ALA 108 lone 0 40 - 1 - HA SER 94 - QB ALA 15 lone 0 78 - 0 - HA ALA 34 - QB ALA 15 lone 0 78 - 0 - HA ALA 28 - QB ALA 110 lone 0 35 - 1 - HA SER 94 - QB ALA 110 lone 0 57 - 0 - HB3 SER 38 - QB ALA 28 lone 0 70 - 0 - HB3 SER 38 - QB ALA 15 lone 0 68 - 0 - HA ALA 28 - QB ALA 108 lone 0 21 - 1 - HA ALA 34 - QB ALA 110 lone 0 57 - 0 - HA SER 94 - QB ALA 108 lone 0 35 - 0 - HB3 SER 38 - QB ALA 110 lone 0 49 - 0 - HA ALA 34 - QB ALA 108 lone 0 35 - 0 - HB3 SER 38 - QB ALA 108 lone 0 30 - 0 - Peak 751 from cnoeabs.peaks (1.38, 1.38, 19.08 ppm; diagonal): 4 out of 5 assignments used, quality = 1.00: * QB ALA 29 + QB ALA 29 OK 100 100 - 100 QB ALA 15 + QB ALA 15 OK 83 83 - 100 QB ALA 28 + QB ALA 28 OK 83 83 - 100 QB ALA 110 + QB ALA 110 OK 62 62 - 100 QB ALA 108 - QB ALA 108 OK 35 35 - 100 Peak 752 from cnoeabs.peaks (8.26, 1.38, 19.08 ppm; 2.50 A): 3 out of 15 assignments used, quality = 0.75: * H GLU 30 + QB ALA 29 OK 60 100 - 60 - 3.7=31, 748/2.1=20...(8) H GLU 30 + QB ALA 28 OK 22 87 - 26 - 6314/3.7=10, 6316=6...(7) H LEU 123 + QB ALA 29 OK 20 98 - 20 - 748/2.1=6, 6312/2.9=5...(5) H LEU 123 - QB ALA 28 lone 7 83 - 9 - 6312/3.7=4, 6316=2 H GLU 30 - QB ALA 15 lone 2 85 - 2 - H ASP 131 - QB ALA 29 lone 1 73 - 2 - H ASP 131 - QB ALA 15 lone 1 56 - 2 - H GLU 30 - QB ALA 110 lone 1 64 - 1 - H LEU 123 - QB ALA 15 lone 1 81 - 1 - H GLU 30 - QB ALA 108 lone 1 40 - 2 - H LEU 123 - QB ALA 110 lone 0 60 - 1 - H LEU 123 - QB ALA 108 lone 0 37 - 1 - H ASP 131 - QB ALA 28 lone 0 57 - 1 - H ASP 131 - QB ALA 110 lone 0 40 - 0 - H ASP 131 - QB ALA 108 lone 0 24 - 0 - Peak 753 from cnoeabs.peaks (8.26, 4.22, 56.42 ppm; 3.06 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 30 + HA GLU 30 OK 100 100 - 100 - 3.0=100 H LEU 123 - HA GLU 30 OK 41 98 - 41 - 6324/3.6=7, 6317=7...(12) H ASP 131 - HA GLU 30 lone 7 73 - 10 - 767/3.0=2, 760/3.0=2...(5) Peak 754 from cnoeabs.peaks (4.22, 4.22, 56.42 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 30 + HA GLU 30 OK 100 100 - 100 Peak 755 from cnoeabs.peaks (1.96, 4.22, 56.42 ppm; 3.25 A): 1 out of 5 assignments used, quality = 1.00: * HB2 GLU 30 + HA GLU 30 OK 100 100 - 100 - 3.0=100 HB3 ARG 90 - HA GLU 30 OK 28 92 - 30 - 769/3.0=6, 2.9/756=4...(14) HB2 PRO 58 - HA GLU 30 OK 21 81 - 26 - 769/3.0=3, 2.3/756=3...(13) HB3 LYS 86 - HA GLU 30 OK 17 100 - 17 - 6318/3.0=2, 769/3.0=2...(10) HB2 GLN 27 - HA GLU 30 lone 3 65 - 4 - Peak 756 from cnoeabs.peaks (2.02, 4.22, 56.42 ppm; 3.20 A): 1 out of 7 assignments used, quality = 1.00: * HB3 GLU 30 + HA GLU 30 OK 100 100 - 100 - 3.0=100 HB2 GLN 134 - HA GLU 30 OK 31 100 - 31 - 1.8/758=5, 763/3.0=4...(13) HG2 ARG 90 - HA GLU 30 OK 27 98 - 28 - 763/3.0=4, 2.9/755=4...(12) HG2 PRO 58 - HA GLU 30 OK 18 81 - 23 - 2.3/755=4, 763/3.0=3...(15) HB2 GLU 44 - HA GLU 30 OK 15 96 - 15 - 3.0/758=2, 1406/3.8=2...(6) HB VAL 63 - HA GLU 30 lone 4 99 - 4 - HB3 MET 11 - HA GLU 30 lone 3 98 - 3 - Peak 757 from cnoeabs.peaks (2.29, 4.22, 56.42 ppm; 3.70 A): 1 out of 3 assignments used, quality = 0.99: * HG2 GLU 30 + HA GLU 30 OK 99 100 - 99 - 3.8=94, 1.8/782=21...(13) HB VAL 132 - HA GLU 30 OK 11 81 - 14 - 764/3.0=3, 771/3.0=3...(6) HG2 GLN 61 - HA GLU 30 lone 8 87 - 9 - 764/3.0=2, 771/3.0=2...(5) Peak 758 from cnoeabs.peaks (2.33, 4.22, 56.42 ppm; 3.90 A): 1 out of 5 assignments used, quality = 1.00: * HG3 GLU 30 + HA GLU 30 OK 100 100 - 100 - 3.8=100 HB3 GLN 134 - HA GLU 30 OK 40 99 - 41 - 772/3.0=9, 765/3.0=8...(12) HB VAL 77 - HA GLU 30 OK 23 98 - 24 - ~9662=6, 765/3.0=4...(8) HG2 GLU 44 - HA GLU 30 OK 19 87 - 21 - 772/3.0=4, 765/3.0=3...(8) HG3 GLN 68 - HA GLU 30 lone 2 73 - 3 - Peak 759 from cnoeabs.peaks (8.23, 4.22, 56.42 ppm; 2.74 A): 3 out of 3 assignments used, quality = 0.80: * H LYS 31 + HA GLU 30 OK 71 100 - 71 - 3.6=45, 6324/3.0=16...(7) H SER 33 + HA GLU 30 OK 22 100 - 22 - 773/3.0=4, 766/3.0=3...(8) H SER 107 + HA GLU 30 OK 11 100 - 11 - 766/3.0=2, 773/3.0=2...(5) Peak 760 from cnoeabs.peaks (8.26, 1.96, 29.50 ppm; 3.40 A): 3 out of 3 assignments used, quality = 0.95: * H GLU 30 + HB2 GLU 30 OK 90 100 - 90 - 4.0=62, 767/1.8=23...(12) H LEU 123 + HB2 GLU 30 OK 42 98 - 43 - 767/1.8=10, 6318=9...(8) H ASP 131 + HB2 GLU 30 OK 11 73 - 15 - 767/1.8=3, ~4193=3...(6) Peak 761 from cnoeabs.peaks (4.22, 1.96, 29.50 ppm; 2.95 A): 2 out of 8 assignments used, quality = 0.99: * HA GLU 30 + HB2 GLU 30 OK 98 100 - 98 - 3.0=94, 757/3.0=15...(15) HA ALA 29 + HB2 GLU 30 OK 54 98 - 56 - 748/4.0=12, 768/1.8=10...(14) HA ALA 34 - HB2 GLU 30 OK 14 100 - 14 - 10876=4, 768/1.8=2...(6) HB3 SER 38 - HB2 GLU 30 lone 2 98 - 2 - HA SER 94 - HB2 GLU 30 lone 2 81 - 2 - HA HIS 67 - HB2 GLU 30 lone 1 73 - 1 - HA SER 99 - HB2 GLU 30 lone 1 73 - 1 - HA SER 51 - HB2 GLU 30 lone 0 65 - 1 - Peak 762 from cnoeabs.peaks (1.96, 1.96, 29.50 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 30 + HB2 GLU 30 OK 100 100 - 100 Peak 763 from cnoeabs.peaks (2.02, 1.96, 29.50 ppm; 2.50 A): 1 out of 7 assignments used, quality = 1.00: * HB3 GLU 30 + HB2 GLU 30 OK 100 100 - 100 - 1.8=100 HG2 ARG 90 - HB2 GLU 30 OK 26 98 - 26 - 2817=4, 1.8/2826=3...(11) HB2 GLN 134 - HB2 GLU 30 OK 25 100 - 25 - 1.8/765=5, 784/3.0=3...(11) HG2 PRO 58 - HB2 GLU 30 OK 16 81 - 20 - 1.8/1865=2, 1857=2...(8) HB2 GLU 44 - HB2 GLU 30 OK 11 96 - 12 - 784/3.0=1, 3.0/765=1...(4) HB VAL 63 - HB2 GLU 30 lone 2 99 - 2 - HB3 MET 11 - HB2 GLU 30 lone 2 98 - 2 - Peak 764 from cnoeabs.peaks (2.29, 1.96, 29.50 ppm; 3.67 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLU 30 + HB2 GLU 30 OK 100 100 - 100 - 3.0=100 HB VAL 132 - HB2 GLU 30 OK 12 81 - 15 - 771/1.8=4, 757/3.0=3...(6) HG2 GLN 61 - HB2 GLU 30 lone 9 87 - 10 - 771/1.8=3, 757/3.0=2...(5) Peak 765 from cnoeabs.peaks (2.33, 1.96, 29.50 ppm; 2.96 A): 1 out of 5 assignments used, quality = 0.97: * HG3 GLU 30 + HB2 GLU 30 OK 97 100 - 97 - 3.0=95, 782/3.0=10...(9) HB3 GLN 134 - HB2 GLU 30 OK 33 99 - 34 - 772/1.8=7, 1.8/763=5...(16) HB VAL 77 - HB2 GLU 30 OK 18 98 - 18 - ~9662=5, 772/1.8=3...(7) HG2 GLU 44 - HB2 GLU 30 OK 14 87 - 15 - 772/1.8=3, 3.0/763=2...(5) HG3 GLN 68 - HB2 GLU 30 lone 2 73 - 2 - Peak 766 from cnoeabs.peaks (8.23, 1.96, 29.50 ppm; 3.40 A): 3 out of 3 assignments used, quality = 0.88: * H LYS 31 + HB2 GLU 30 OK 80 100 - 80 - 4.6=39, 773/1.8=23...(9) H SER 33 + HB2 GLU 30 OK 26 100 - 26 - 773/1.8=8, 759/3.0=7...(6) H SER 107 + HB2 GLU 30 OK 18 100 - 18 - 773/1.8=5, 780/3.0=4...(5) Peak 767 from cnoeabs.peaks (8.26, 2.02, 29.50 ppm; 3.34 A): 3 out of 3 assignments used, quality = 0.94: * H GLU 30 + HB3 GLU 30 OK 88 100 - 88 - 4.0=58, 760/1.8=22...(12) H LEU 123 + HB3 GLU 30 OK 40 98 - 41 - 760/1.8=10, 6319=9...(7) H ASP 131 + HB3 GLU 30 OK 12 73 - 16 - 2.9/4193=5, 760/1.8=3...(6) Peak 768 from cnoeabs.peaks (4.22, 2.02, 29.50 ppm; 3.28 A): 2 out of 8 assignments used, quality = 1.00: * HA GLU 30 + HB3 GLU 30 OK 100 100 - 100 - 3.0=100 HA ALA 29 + HB3 GLU 30 OK 62 98 - 63 - 748/4.0=16, 761/1.8=13...(14) HA ALA 34 - HB3 GLU 30 OK 14 100 - 14 - 10876/1.8=5, 775/3.0=2...(5) HB3 SER 38 - HB3 GLU 30 lone 3 98 - 3 - HA SER 94 - HB3 GLU 30 lone 2 81 - 3 - HA HIS 67 - HB3 GLU 30 lone 1 73 - 1 - HA SER 99 - HB3 GLU 30 lone 1 73 - 1 - HA SER 51 - HB3 GLU 30 lone 1 65 - 1 - Peak 769 from cnoeabs.peaks (1.96, 2.02, 29.50 ppm; 2.50 A): 1 out of 5 assignments used, quality = 1.00: * HB2 GLU 30 + HB3 GLU 30 OK 100 100 - 100 - 1.8=100 HB3 ARG 90 - HB3 GLU 30 OK 28 92 - 31 - 2809=7, 1.8/2799=3...(15) HB2 PRO 58 - HB3 GLU 30 OK 17 81 - 21 - 776/3.0=2, 783/3.0=2...(9) HB3 LYS 86 - HB3 GLU 30 OK 11 100 - 11 - ~2628=2, 755/3.0=1...(4) HB2 GLN 27 - HB3 GLU 30 lone 1 65 - 1 - Peak 770 from cnoeabs.peaks (2.02, 2.02, 29.50 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 30 + HB3 GLU 30 OK 100 100 - 100 Peak 771 from cnoeabs.peaks (2.29, 2.02, 29.50 ppm; 3.44 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLU 30 + HB3 GLU 30 OK 100 100 - 100 - 3.0=100 HB VAL 132 - HB3 GLU 30 OK 11 81 - 13 - 764/1.8=3, 757/3.0=2...(6) HG2 GLN 61 - HB3 GLU 30 lone 8 87 - 9 - 764/1.8=2, 757/3.0=2...(4) Peak 772 from cnoeabs.peaks (2.33, 2.02, 29.50 ppm; 3.58 A): 2 out of 5 assignments used, quality = 1.00: * HG3 GLU 30 + HB3 GLU 30 OK 100 100 - 100 - 3.0=100 HB3 GLN 134 + HB3 GLU 30 OK 57 99 - 57 - 4279=10, 765/1.8=9...(22) HB VAL 77 - HB3 GLU 30 OK 26 98 - 26 - 2.1/9662=5, 765/1.8=5...(10) HG2 GLU 44 - HB3 GLU 30 OK 25 87 - 28 - 765/1.8=4, 1419=3...(13) HG3 GLN 68 - HB3 GLU 30 lone 4 73 - 5 - Peak 773 from cnoeabs.peaks (8.23, 2.02, 29.50 ppm; 3.33 A): 3 out of 3 assignments used, quality = 0.88: * H LYS 31 + HB3 GLU 30 OK 79 100 - 79 - 4.6=37, 6326/1.8=23...(10) H SER 33 + HB3 GLU 30 OK 29 100 - 29 - 766/1.8=7, 759/3.0=6...(7) H SER 107 + HB3 GLU 30 OK 18 100 - 17 - 766/1.8=5, 780/3.0=4...(5) Peak 774 from cnoeabs.peaks (8.26, 2.29, 35.22 ppm; 3.56 A): 3 out of 3 assignments used, quality = 0.91: * H GLU 30 + HG2 GLU 30 OK 81 100 - 82 - 5.1=35, 3.0/757=22...(9) H LEU 123 + HG2 GLU 30 OK 44 98 - 45 - 6320=14, 781/1.8=12...(7) H ASP 131 + HG2 GLU 30 OK 12 73 - 17 - 781/1.8=3, ~4194=3...(7) Peak 775 from cnoeabs.peaks (4.22, 2.29, 35.22 ppm; 3.54 A): 2 out of 8 assignments used, quality = 0.98: * HA GLU 30 + HG2 GLU 30 OK 95 100 - 95 - 3.8=82, 782/1.8=20...(13) HA ALA 29 + HG2 GLU 30 OK 59 98 - 60 - 3.6/6320=14, 782/1.8=13...(12) HA ALA 34 - HG2 GLU 30 OK 13 100 - 12 - 10876/3.0=4, 782/1.8=3...(5) HB3 SER 38 - HG2 GLU 30 lone 2 98 - 2 - HA SER 94 - HG2 GLU 30 lone 2 81 - 2 - HA HIS 67 - HG2 GLU 30 lone 1 73 - 1 - HA SER 99 - HG2 GLU 30 lone 1 73 - 1 - HA SER 51 - HG2 GLU 30 lone 1 65 - 1 - Peak 776 from cnoeabs.peaks (1.96, 2.29, 35.22 ppm; 3.37 A): 1 out of 5 assignments used, quality = 1.00: * HB2 GLU 30 + HG2 GLU 30 OK 100 100 - 100 - 3.0=100 HB3 ARG 90 - HG2 GLU 30 OK 30 92 - 32 - 783/1.8=6, 769/3.0=6...(15) HB2 PRO 58 - HG2 GLU 30 OK 23 81 - 29 - 783/1.8=5, 769/3.0=4...(15) HB3 LYS 86 - HG2 GLU 30 OK 16 100 - 16 - 783/1.8=4, 769/3.0=2...(9) HB2 GLN 27 - HG2 GLU 30 lone 2 65 - 2 - Peak 777 from cnoeabs.peaks (2.02, 2.29, 35.22 ppm; 3.23 A): 1 out of 7 assignments used, quality = 1.00: * HB3 GLU 30 + HG2 GLU 30 OK 100 100 - 100 - 3.0=100 HB2 GLN 134 - HG2 GLU 30 OK 36 100 - 36 - 784/1.8=7, 1.8/779=7...(15) HG2 ARG 90 - HG2 GLU 30 OK 28 98 - 29 - 784/1.8=5, 763/3.0=4...(12) HG2 PRO 58 - HG2 GLU 30 OK 20 81 - 25 - 2.3/776=4, 784/1.8=3...(15) HB2 GLU 44 - HG2 GLU 30 OK 17 96 - 18 - 784/1.8=4, 763/3.0=2...(6) HB VAL 63 - HG2 GLU 30 lone 3 99 - 3 - HB3 MET 11 - HG2 GLU 30 lone 3 98 - 3 - Peak 778 from cnoeabs.peaks (2.29, 2.29, 35.22 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 30 + HG2 GLU 30 OK 100 100 - 100 Peak 779 from cnoeabs.peaks (2.33, 2.29, 35.22 ppm; 2.50 A): 1 out of 5 assignments used, quality = 1.00: * HG3 GLU 30 + HG2 GLU 30 OK 100 100 - 100 - 1.8=100 HB3 GLN 134 - HG2 GLU 30 OK 22 99 - 23 - 1.8/777=4, 772/3.0=3...(10) HB VAL 77 - HG2 GLU 30 OK 11 98 - 11 - ~9662=2, 765/3.0=2...(6) HG2 GLU 44 - HG2 GLU 30 lone 9 87 - 10 - 772/3.0=1, 765/3.0=1, 3.0/777=1 HG3 GLN 68 - HG2 GLU 30 lone 1 73 - 2 - Peak 780 from cnoeabs.peaks (8.23, 2.29, 35.22 ppm; 3.67 A): 3 out of 3 assignments used, quality = 0.89: * H LYS 31 + HG2 GLU 30 OK 82 100 - 82 - 4.9=42, 787/1.8=23...(9) H SER 33 + HG2 GLU 30 OK 27 100 - 27 - 787/1.8=8, 773/3.0=7...(5) H SER 107 + HG2 GLU 30 OK 20 100 - 19 - 787/1.8=6, 766/3.0=4...(6) Peak 781 from cnoeabs.peaks (8.26, 2.33, 35.22 ppm; 3.60 A): 3 out of 3 assignments used, quality = 0.94: * H GLU 30 + HG3 GLU 30 OK 86 100 - 86 - 5.1=36, 6320/1.8=23...(12) H LEU 123 + HG3 GLU 30 OK 49 98 - 50 - 774/1.8=12, 6321=11...(9) H ASP 131 + HG3 GLU 30 OK 14 73 - 18 - 2.9/4194=5, 774/1.8=3...(7) Peak 782 from cnoeabs.peaks (4.22, 2.33, 35.22 ppm; 3.49 A): 2 out of 8 assignments used, quality = 0.98: * HA GLU 30 + HG3 GLU 30 OK 95 100 - 95 - 3.8=79, 757/1.8=28...(13) HA ALA 29 + HG3 GLU 30 OK 61 98 - 62 - 2.1/10792=15, 3.6/781=13...(12) HA ALA 34 - HG3 GLU 30 OK 12 100 - 12 - 10876/3.0=4, 775/1.8=3...(5) HA SER 94 - HG3 GLU 30 lone 3 81 - 3 - 11335/10801=1 HB3 SER 38 - HG3 GLU 30 lone 2 98 - 2 - HA HIS 67 - HG3 GLU 30 lone 1 73 - 2 - HA SER 99 - HG3 GLU 30 lone 1 73 - 1 - HA SER 51 - HG3 GLU 30 lone 1 65 - 1 - Peak 783 from cnoeabs.peaks (1.96, 2.33, 35.22 ppm; 3.36 A): 1 out of 5 assignments used, quality = 1.00: * HB2 GLU 30 + HG3 GLU 30 OK 100 100 - 100 - 3.0=100 HB3 ARG 90 - HG3 GLU 30 OK 30 92 - 33 - 776/1.8=6, 769/3.0=6...(15) HB2 PRO 58 - HG3 GLU 30 OK 23 81 - 29 - 776/1.8=5, 769/3.0=4...(15) HB3 LYS 86 - HG3 GLU 30 OK 17 100 - 17 - 776/1.8=3, 769/3.0=2...(9) HB2 GLN 27 - HG3 GLU 30 lone 2 65 - 3 - Peak 784 from cnoeabs.peaks (2.02, 2.33, 35.22 ppm; 3.13 A): 1 out of 7 assignments used, quality = 1.00: * HB3 GLU 30 + HG3 GLU 30 OK 100 100 - 100 - 3.0=100 HB2 GLN 134 - HG3 GLU 30 OK 44 100 - 44 - 4270=7, 777/1.8=6...(20) HG2 ARG 90 - HG3 GLU 30 OK 28 98 - 28 - 777/1.8=4, 763/3.0=4...(12) HB2 GLU 44 - HG3 GLU 30 OK 21 96 - 22 - 1406=3, 777/1.8=3...(7) HG2 PRO 58 - HG3 GLU 30 OK 19 81 - 24 - 2.3/783=4, 777/1.8=3...(11) HB VAL 63 - HG3 GLU 30 lone 3 99 - 3 - HB3 MET 11 - HG3 GLU 30 lone 3 98 - 3 - Peak 785 from cnoeabs.peaks (2.29, 2.33, 35.22 ppm; 2.50 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLU 30 + HG3 GLU 30 OK 100 100 - 100 - 1.8=100 HB VAL 132 - HG3 GLU 30 lone 5 81 - 6 - 771/3.0=1, 764/3.0=1 HG2 GLN 61 - HG3 GLU 30 lone 4 87 - 4 - Peak 786 from cnoeabs.peaks (2.33, 2.33, 35.22 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 30 + HG3 GLU 30 OK 100 100 - 100 Peak 787 from cnoeabs.peaks (8.23, 2.33, 35.22 ppm; 3.67 A): 3 out of 3 assignments used, quality = 0.89: * H LYS 31 + HG3 GLU 30 OK 81 100 - 81 - 4.9=42, 6328/1.8=24...(9) H SER 33 + HG3 GLU 30 OK 26 100 - 27 - 780/1.8=8, 773/3.0=7...(5) H SER 107 + HG3 GLU 30 OK 19 100 - 18 - 780/1.8=6, 766/3.0=4...(5) Peak 788 from cnoeabs.peaks (8.23, 4.28, 56.44 ppm; 3.10 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 31 + HA LYS 31 OK 100 100 - 100 - 3.0=100 H SER 33 - HA LYS 31 OK 36 100 - 36 - 6359/3.6=14, 799/3.0=5...(8) H SER 107 - HA LYS 31 OK 15 100 - 15 - 10101/3.8=3, 6341/3.6=3...(5) Peak 789 from cnoeabs.peaks (4.28, 4.28, 56.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 31 + HA LYS 31 OK 100 100 - 100 Peak 790 from cnoeabs.peaks (1.74, 4.28, 56.44 ppm; 2.98 A): 1 out of 6 assignments used, quality = 0.99: * HB2 LYS 31 + HA LYS 31 OK 99 100 - 99 - 3.0=96, 1.8/791=13...(22) HB2 LYS 24 - HA LYS 31 OK 44 96 - 46 - 1.8/791=6, 6331/3.0=5...(15) HB2 LYS 26 - HA LYS 31 OK 32 81 - 41 - 1.8/791=4, 3.0/793=4...(12) HB2 LYS 19 - HA LYS 31 OK 30 81 - 37 - 1.8/791=5, 3.0/792=4...(12) HB ILE 80 - HA LYS 31 lone 3 87 - 4 - HG13 ILE 129 - HA LYS 31 lone 3 100 - 3 - Peak 791 from cnoeabs.peaks (1.81, 4.28, 56.44 ppm; 2.75 A): 2 out of 9 assignments used, quality = 0.95: * HB3 LYS 31 + HA LYS 31 OK 91 100 - 91 - 3.0=76, 1.8/790=14...(19) HB3 LYS 24 + HA LYS 31 OK 40 99 - 40 - 1.8/790=6, 2.9/792=4...(12) HB3 LYS 19 - HA LYS 31 OK 34 100 - 34 - 1.8/790=4, 811=4...(10) HB ILE 32 - HA LYS 31 OK 32 87 - 37 - 4.0/798=9, 902/3.0=4...(15) HB3 LYS 26 - HA LYS 31 OK 29 81 - 36 - 1.8/790=4, 3.0/793=3...(12) HB2 LYS 36 - HA LYS 31 OK 23 92 - 25 - 985=4, 1.8/996=3...(12) HB2 ARG 84 - HA LYS 31 lone 1 98 - 1 - HB3 ARG 135 - HA LYS 31 lone 1 87 - 1 - HB3 LEU 123 - HA LYS 31 lone 1 61 - 1 - Peak 792 from cnoeabs.peaks (1.44, 4.28, 56.44 ppm; 3.06 A): 3 out of 5 assignments used, quality = 0.95: * HG2 LYS 31 + HA LYS 31 OK 85 100 - 85 - 3.8=52, 1.8/793=17...(21) HG3 LYS 24 + HA LYS 31 OK 43 96 - 45 - 2.9/790=5, 2.9/791=4...(13) HG13 ILE 32 + HA LYS 31 OK 41 98 - 42 - 919/3.6=11, 926/3.0=5...(16) HG3 LYS 19 - HA LYS 31 OK 37 99 - 37 - 6345/3.6=4, 3.0/791=4...(11) HG2 LYS 26 - HA LYS 31 OK 31 65 - 47 - 1.8/793=6, 3.0/790=4...(18) Peak 793 from cnoeabs.peaks (1.39, 4.28, 56.44 ppm; 2.95 A): 5 out of 10 assignments used, quality = 0.90: * HG3 LYS 31 + HA LYS 31 OK 81 100 - 81 - 3.8=47, 1.8/792=11...(21) HG3 LYS 26 + HA LYS 31 OK 28 65 - 43 - 1.8/792=4, 3.0/790=4...(16) HG2 LYS 95 + HA LYS 31 OK 13 98 - 13 - 6346/3.6=2, 6334/3.0=2...(5) HG3 LYS 95 + HA LYS 31 OK 11 92 - 12 - 6346/3.6=2, 6334/3.0=2...(4) QB ALA 15 + HA LYS 31 OK 11 73 - 15 - 2.9/798=4, 10790/3.0=2...(5) QB ALA 109 - HA LYS 31 lone 8 99 - 7 - 3527=2, 6334/3.0=1 QB ALA 108 - HA LYS 31 lone 6 87 - 7 - 6334/3.0=1, 2.9/7558=1 HG LEU 96 - HA LYS 31 lone 3 81 - 4 - 6346/3.6=1 QB ALA 28 - HA LYS 31 lone 2 81 - 3 - 6334/3.0=1 QB ALA 110 - HA LYS 31 lone 2 73 - 3 - Peak 794 from cnoeabs.peaks (1.66, 4.28, 56.44 ppm; 3.22 A): 6 out of 15 assignments used, quality = 1.00: HD3 LYS 31 + HA LYS 31 OK 80 100 - 80 - 5.2=24, 2.9/793=14...(34) * HD2 LYS 31 + HA LYS 31 OK 80 100 - 80 - 5.2=24, 2.9/793=14...(34) HD2 LYS 26 + HA LYS 31 OK 52 100 - 52 - 2.9/793=5, 2.9/792=4...(23) HD3 LYS 26 + HA LYS 31 OK 50 98 - 52 - 2.9/793=5, 2.9/792=4...(24) HD3 LYS 24 + HA LYS 31 OK 50 100 - 50 - 3.0/792=5, 3.5/790=5...(19) HD2 LYS 24 + HA LYS 31 OK 50 100 - 50 - 3.0/792=5, 3.5/790=5...(19) HD3 LYS 36 - HA LYS 31 OK 19 65 - 30 - 3.0/1007=3, 3.0/1018=3...(7) HD2 LYS 36 - HA LYS 31 OK 19 65 - 30 - 3.0/1007=3, 3.0/1018=3...(7) HD3 LYS 95 - HA LYS 31 OK 11 99 - 11 - 2.9/793=2, 2.9/793=2, 6348/3.6=1 HD2 LYS 95 - HA LYS 31 poor 8 81 - 10 - 2.9/793=2, 2.9/793=2 HD3 LYS 86 - HA LYS 31 lone 5 99 - 5 - HD2 LYS 86 - HA LYS 31 lone 5 99 - 5 - HB2 LEU 69 - HA LYS 31 lone 1 73 - 2 - QB ALA 88 - HA LYS 31 lone 1 100 - 1 - HB2 LEU 98 - HA LYS 31 lone 1 65 - 1 - Peak 795 from cnoeabs.peaks (1.66, 4.28, 56.44 ppm; 3.22 A): 6 out of 13 assignments used, quality = 1.00: * HD3 LYS 31 + HA LYS 31 OK 80 100 - 80 - 5.2=24, 2.9/793=14...(34) HD2 LYS 31 + HA LYS 31 OK 80 100 - 80 - 5.2=24, 2.9/793=14...(34) HD2 LYS 26 + HA LYS 31 OK 52 100 - 52 - 2.9/793=5, 2.9/792=4...(23) HD3 LYS 26 + HA LYS 31 OK 51 99 - 52 - 2.9/793=5, 2.9/792=4...(24) HD3 LYS 24 + HA LYS 31 OK 50 100 - 50 - 3.0/792=5, 3.5/790=5...(19) HD2 LYS 24 + HA LYS 31 OK 50 100 - 50 - 3.0/792=5, 3.5/790=5...(19) HD3 LYS 95 - HA LYS 31 OK 11 100 - 11 - 2.9/793=2, 2.9/793=2, 6348/3.6=1 HD2 LYS 95 - HA LYS 31 poor 9 87 - 10 - 2.9/793=2, 2.9/793=2 HD3 LYS 86 - HA LYS 31 lone 5 100 - 5 - HD2 LYS 86 - HA LYS 31 lone 5 100 - 5 - HB2 LEU 69 - HA LYS 31 lone 1 65 - 2 - HB2 LEU 98 - HA LYS 31 lone 1 73 - 1 - QB ALA 88 - HA LYS 31 lone 1 100 - 1 - Peak 798 from cnoeabs.peaks (8.14, 4.28, 56.44 ppm; 2.92 A): 2 out of 5 assignments used, quality = 0.80: * H ILE 32 + HA LYS 31 OK 75 100 - 75 - 3.6=55, 6339/3.0=15...(14) H ALA 15 + HA LYS 31 OK 19 99 - 19 - 6339/3.0=4, 809/3.0=3...(8) H ASP 71 - HA LYS 31 lone 6 98 - 6 - 6339/3.0=2, 809/3.0=1 H VAL 133 - HA LYS 31 lone 6 92 - 6 - 6339/3.0=2, 809/3.0=1 H LEU 22 - HA LYS 31 lone 4 73 - 6 - Peak 799 from cnoeabs.peaks (8.23, 1.74, 32.78 ppm; 3.05 A): 4 out of 6 assignments used, quality = 0.90: * H LYS 31 + HB2 LYS 31 OK 78 100 - 78 - 4.0=44, 6330/3.0=15...(18) H SER 33 + HB2 LYS 31 OK 33 100 - 34 - 6359/4.6=9, 6361/1.8=7...(9) H LYS 31 + HB2 LYS 24 OK 21 57 - 37 - 6331=10, 6332/1.8=5...(12) H SER 107 + HB2 LYS 31 OK 15 100 - 14 - 10101/3.0=3, 788/3.0=2...(6) H SER 33 - HB2 LYS 24 poor 6 57 - 10 - 6361/1.8=2, 4.6/6343=2 H SER 107 - HB2 LYS 24 lone 1 57 - 2 - Peak 800 from cnoeabs.peaks (4.28, 1.74, 32.78 ppm; 2.75 A): 2 out of 28 assignments used, quality = 0.93: * HA LYS 31 + HB2 LYS 31 OK 91 100 - 91 - 3.0=76, 791/1.8=12...(19) HA LYS 26 + HB2 LYS 31 OK 25 73 - 35 - 833/3.0=3, 822/3.0=2...(10) HA LYS 31 - HB2 LYS 24 OK 24 57 - 43 - 790=8, 791/1.8=5...(13) HA LYS 36 - HB2 LYS 31 OK 20 99 - 20 - 975/1.8=4, 833/3.0=2...(7) HA LYS 19 - HB2 LYS 31 OK 18 57 - 32 - 3.0/802=2, ~259=2...(10) HA ALA 15 - HB2 LYS 31 OK 13 73 - 19 - ~10790=4, 3.0/809=3...(8) HA LYS 26 - HB2 LYS 24 OK 13 35 - 38 - 2.9/6250=4, 595=2...(18) HA LYS 19 - HB2 LYS 24 poor 8 26 - 32 - 3.0/6149=3, 4.2/272=2...(13) HA LYS 36 - HB2 LYS 24 poor 8 56 - 15 - 977/2.9=3, 975/1.8=3, 980/3.5=1 HA ALA 108 - HB2 LYS 31 lone 5 100 - 5 - HA ALA 109 - HB2 LYS 31 lone 5 100 - 5 - HA LEU 22 - HB2 LYS 31 lone 4 100 - 4 - HA ARG 23 - HB2 LYS 31 lone 3 65 - 5 - 3.6/6220=2, 10728/4.6=1 HA ARG 23 - HB2 LYS 24 poor 3 31 - 11 - 3.6/6220=5, 419/1.8=1 HB THR 115 - HB2 LYS 24 lone 3 54 - 6 - 10191/2.9=2, 11521/4.1=1 HA ALA 110 - HB2 LYS 31 lone 2 81 - 2 - HB THR 115 - HB2 LYS 31 lone 2 98 - 2 - HA ALA 16 - HB2 LYS 31 lone 1 100 - 1 - HA GLN 61 - HB2 LYS 31 lone 1 96 - 1 - HA LEU 22 - HB2 LYS 24 lone 1 57 - 2 - HA ALA 15 - HB2 LYS 24 lone 1 35 - 3 - HA ALA 108 - HB2 LYS 24 lone 1 57 - 1 - HA ALA 109 - HB2 LYS 24 lone 0 57 - 1 - HA ALA 12 - HB2 LYS 31 lone 0 73 - 1 - HA GLN 61 - HB2 LYS 24 lone 0 51 - 1 - HA ALA 110 - HB2 LYS 24 lone 0 39 - 1 - HA ALA 16 - HB2 LYS 24 lone 0 57 - 0 - HA ALA 12 - HB2 LYS 24 lone 0 35 - 1 - Peak 801 from cnoeabs.peaks (1.74, 1.74, 32.78 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 LYS 31 + HB2 LYS 31 OK 100 100 - 100 HB2 LYS 24 + HB2 LYS 24 OK 51 51 - 100 Peak 802 from cnoeabs.peaks (1.81, 1.74, 32.78 ppm; 2.50 A): 2 out of 18 assignments used, quality = 1.00: * HB3 LYS 31 + HB2 LYS 31 OK 100 100 - 100 - 1.8=100 HB3 LYS 24 + HB2 LYS 24 OK 56 56 - 100 - 1.8=100 HB3 LYS 24 - HB2 LYS 31 OK 44 99 - 44 - 812=3, 835/3.0=3...(17) HB3 LYS 19 - HB2 LYS 31 OK 37 100 - 37 - 812=3, 835/3.0=3...(14) HB3 LYS 26 - HB2 LYS 31 OK 32 81 - 39 - 3.0/804=2, 835/3.0=2...(13) HB3 LYS 31 - HB2 LYS 24 OK 25 57 - 44 - 812=4, 3.0/790=3...(14) HB ILE 32 - HB2 LYS 31 OK 24 87 - 28 - 4.0/809=4, 902/4.0=2...(13) HB3 LYS 19 - HB2 LYS 24 OK 23 57 - 40 - 812=3, 502/3.0=3...(16) HB2 LYS 36 - HB2 LYS 31 OK 18 92 - 19 - 791/3.0=2, ~997=1...(5) HB3 LYS 26 - HB2 LYS 24 OK 16 39 - 40 - 482/3.0=3, 617=3...(16) HB2 LYS 36 - HB2 LYS 24 poor 7 48 - 14 - 988/2.9=2, ~997=1, ~999=1 HB ILE 32 - HB2 LYS 24 poor 6 44 - 13 - 4.0/6343=2 HB2 ARG 84 - HB2 LYS 31 lone 1 98 - 1 - HB3 ARG 135 - HB2 LYS 31 lone 1 87 - 1 - HB3 ARG 135 - HB2 LYS 24 lone 1 44 - 1 - HB3 LEU 123 - HB2 LYS 31 lone 0 61 - 1 - HB2 ARG 84 - HB2 LYS 24 lone 0 54 - 1 - HB3 LEU 123 - HB2 LYS 24 lone 0 28 - 2 - Peak 803 from cnoeabs.peaks (1.44, 1.74, 32.78 ppm; 2.73 A): 3 out of 10 assignments used, quality = 0.97: * HG2 LYS 31 + HB2 LYS 31 OK 91 100 - 91 - 3.0=77, 1.8/804=13...(19) HG3 LYS 24 + HB2 LYS 31 OK 48 96 - 50 - 836/3.0=4, 792/3.0=3...(21) HG3 LYS 24 + HB2 LYS 24 OK 47 51 - 92 - 2.9=81, 524/3.0=8...(18) HG3 LYS 19 - HB2 LYS 31 OK 43 99 - 43 - ~263=4, 836/3.0=3...(12) HG2 LYS 26 - HB2 LYS 31 OK 32 65 - 49 - 1.8/804=4, 836/3.0=3...(22) HG13 ILE 32 - HB2 LYS 31 OK 31 98 - 32 - 919/4.6=5, 921/1.8=4...(13) HG2 LYS 31 - HB2 LYS 24 OK 30 57 - 52 - 823=6, 1.8/834=5...(16) HG3 LYS 19 - HB2 LYS 24 OK 27 56 - 49 - 524/3.0=5, 1.8/272=4...(16) HG2 LYS 26 - HB2 LYS 24 OK 14 31 - 46 - ~483=3, 628=3, 1.8/639=3...(18) HG13 ILE 32 - HB2 LYS 24 poor 8 54 - 14 - 921/1.8=2, ~913=1...(4) Peak 804 from cnoeabs.peaks (1.39, 1.74, 32.78 ppm; 2.70 A): 3 out of 20 assignments used, quality = 0.95: * HG3 LYS 31 + HB2 LYS 31 OK 90 100 - 90 - 3.0=76, 815/1.8=9...(21) HG3 LYS 26 + HB2 LYS 31 OK 31 65 - 47 - 826/3.0=3, 793/3.0=3...(16) HG3 LYS 31 + HB2 LYS 24 OK 28 57 - 50 - 834=6, 1.8/823=5...(16) HG2 LYS 95 - HB2 LYS 31 OK 14 98 - 14 - 793/3.0=1, 815/1.8=1...(5) HG3 LYS 26 - HB2 LYS 24 OK 13 31 - 44 - 1.8/628=4, ~629=3...(15) HG3 LYS 95 - HB2 LYS 31 OK 13 92 - 14 - 815/1.8=1, 793/3.0=1...(4) QB ALA 15 - HB2 LYS 31 OK 12 73 - 16 - 2.9/809=3, 10790/1.8=3...(8) HG LEU 96 - HB2 LYS 31 lone 6 81 - 8 - QB ALA 109 - HB2 LYS 31 lone 6 99 - 5 - QB ALA 108 - HB2 LYS 31 lone 4 87 - 5 - QB ALA 28 - HB2 LYS 31 lone 2 81 - 2 - HG2 LYS 95 - HB2 LYS 24 lone 2 54 - 4 - HG3 LYS 95 - HB2 LYS 24 lone 2 48 - 3 - QB ALA 110 - HB2 LYS 31 lone 2 73 - 2 - HG LEU 96 - HB2 LYS 24 lone 1 39 - 3 - QB ALA 15 - HB2 LYS 24 lone 1 35 - 3 - QB ALA 109 - HB2 LYS 24 lone 0 56 - 1 - QB ALA 28 - HB2 LYS 24 lone 0 39 - 1 - QB ALA 108 - HB2 LYS 24 lone 0 44 - 1 - QB ALA 110 - HB2 LYS 24 lone 0 35 - 1 - Peak 805 from cnoeabs.peaks (1.66, 1.74, 32.78 ppm; 2.94 A): 8 out of 30 assignments used, quality = 1.00: HD3 LYS 31 + HB2 LYS 31 OK 89 100 - 89 - 3.5=60, 2.9/804=10...(45) * HD2 LYS 31 + HB2 LYS 31 OK 89 100 - 89 - 3.5=60, 2.9/804=10...(43) HD2 LYS 26 + HB2 LYS 31 OK 56 100 - 57 - 2.9/804=3, 839/3.0=3...(25) HD3 LYS 26 + HB2 LYS 31 OK 55 98 - 56 - 2.9/804=3, 839/3.0=3...(23) HD3 LYS 24 + HB2 LYS 31 OK 54 100 - 54 - 3.0/803=3, 839/3.0=3...(24) HD2 LYS 24 + HB2 LYS 31 OK 54 100 - 54 - 3.0/803=3, 839/3.0=3...(24) HD2 LYS 24 + HB2 LYS 24 OK 50 57 - 87 - 3.5=58, 486/3.0=4...(49) HD3 LYS 24 + HB2 LYS 24 OK 49 57 - 87 - 3.5=58, 486/3.0=4...(49) HD2 LYS 31 - HB2 LYS 24 OK 34 57 - 59 - 2.9/823=5, 2.9/834=5...(23) HD3 LYS 31 - HB2 LYS 24 OK 33 57 - 59 - 2.9/823=5, 2.9/834=5...(21) HD2 LYS 26 - HB2 LYS 24 OK 30 57 - 53 - 2.9/628=3, 486/3.0=3...(24) HD3 LYS 26 - HB2 LYS 24 OK 28 54 - 52 - 2.9/628=3, 486/3.0=3...(24) HD3 LYS 36 - HB2 LYS 31 OK 16 65 - 25 - ~1019=1, ~1008=1...(4) HD2 LYS 36 - HB2 LYS 31 OK 16 65 - 25 - ~1019=1, ~1008=1...(4) HD3 LYS 95 - HB2 LYS 31 OK 13 99 - 13 - 2.9/804=2, 2.9/804=1 HD2 LYS 95 - HB2 LYS 31 poor 10 81 - 12 - 2.9/804=2, 2.9/804=1 HD2 LYS 86 - HB2 LYS 31 lone 8 99 - 8 - HD3 LYS 86 - HB2 LYS 31 lone 8 99 - 8 - HD3 LYS 36 - HB2 LYS 24 poor 6 31 - 21 - ~1008=1, ~1019=1 HD2 LYS 36 - HB2 LYS 24 poor 6 31 - 21 - ~1008=1, ~1019=1 HD3 LYS 86 - HB2 LYS 24 lone 3 56 - 5 - HD2 LYS 86 - HB2 LYS 24 lone 3 56 - 5 - HB2 LEU 69 - HB2 LYS 31 lone 3 73 - 4 - HD3 LYS 95 - HB2 LYS 24 lone 2 56 - 4 - HB2 LEU 69 - HB2 LYS 24 lone 2 35 - 5 - HD2 LYS 95 - HB2 LYS 24 lone 1 39 - 4 - HB2 LEU 98 - HB2 LYS 31 lone 1 65 - 2 - QB ALA 88 - HB2 LYS 31 lone 1 100 - 1 - QB ALA 88 - HB2 LYS 24 lone 0 57 - 1 - HB2 LEU 98 - HB2 LYS 24 lone 0 31 - 1 - Peak 806 from cnoeabs.peaks (1.66, 1.74, 32.78 ppm; 2.94 A): 8 out of 26 assignments used, quality = 1.00: * HD3 LYS 31 + HB2 LYS 31 OK 89 100 - 89 - 3.5=60, 2.9/804=10...(45) HD2 LYS 31 + HB2 LYS 31 OK 89 100 - 89 - 3.5=60, 2.9/804=10...(43) HD2 LYS 26 + HB2 LYS 31 OK 57 100 - 57 - 2.9/804=3, 839/3.0=3...(25) HD3 LYS 26 + HB2 LYS 31 OK 55 99 - 56 - 2.9/804=3, 839/3.0=3...(23) HD3 LYS 24 + HB2 LYS 31 OK 54 100 - 54 - 3.0/803=3, 839/3.0=3...(24) HD2 LYS 24 + HB2 LYS 31 OK 54 100 - 54 - 3.0/803=3, 839/3.0=3...(24) HD3 LYS 24 + HB2 LYS 24 OK 50 57 - 87 - 3.5=58, 486/3.0=4...(49) HD2 LYS 24 + HB2 LYS 24 OK 49 57 - 87 - 3.5=58, 486/3.0=4...(49) HD3 LYS 31 - HB2 LYS 24 OK 34 57 - 59 - 2.9/823=5, 2.9/834=5...(21) HD2 LYS 31 - HB2 LYS 24 OK 34 57 - 59 - 2.9/823=5, 2.9/834=5...(23) HD2 LYS 26 - HB2 LYS 24 OK 30 57 - 53 - 2.9/628=3, 486/3.0=3...(24) HD3 LYS 26 - HB2 LYS 24 OK 29 56 - 52 - 2.9/628=3, 486/3.0=3...(24) HD3 LYS 95 - HB2 LYS 31 OK 13 100 - 13 - 2.9/804=2, 2.9/804=1 HD2 LYS 95 - HB2 LYS 31 OK 11 87 - 12 - 2.9/804=2, 2.9/804=1 HD2 LYS 86 - HB2 LYS 31 lone 8 100 - 8 - HD3 LYS 86 - HB2 LYS 31 lone 8 100 - 8 - HD3 LYS 86 - HB2 LYS 24 lone 3 57 - 5 - HD2 LYS 86 - HB2 LYS 24 lone 3 57 - 5 - HD3 LYS 95 - HB2 LYS 24 lone 2 57 - 4 - HB2 LEU 69 - HB2 LYS 31 lone 2 65 - 4 - HD2 LYS 95 - HB2 LYS 24 lone 2 44 - 4 - HB2 LEU 69 - HB2 LYS 24 lone 2 31 - 5 - HB2 LEU 98 - HB2 LYS 31 lone 2 73 - 2 - QB ALA 88 - HB2 LYS 31 lone 1 100 - 1 - QB ALA 88 - HB2 LYS 24 lone 0 57 - 1 - HB2 LEU 98 - HB2 LYS 24 lone 0 35 - 1 - Peak 807 from cnoeabs.peaks (2.96, 1.74, 32.78 ppm; 4.02 A): 8 out of 22 assignments used, quality = 1.00: * HE2 LYS 31 + HB2 LYS 31 OK 93 100 - 93 - 4.8=57, 3.7/804=14...(76) HE3 LYS 31 + HB2 LYS 31 OK 92 98 - 94 - 4.8=57, 3.7/804=14...(90) HE2 LYS 26 + HB2 LYS 31 OK 69 98 - 70 - 3.6/804=5, 841/3.0=4...(40) HE3 LYS 26 + HB2 LYS 31 OK 69 98 - 70 - 3.6/804=5, 841/3.0=4...(40) HE3 LYS 24 + HB2 LYS 31 OK 59 98 - 60 - 4.0/803=4, 1.8/558=4...(31) HE3 LYS 19 + HB2 LYS 31 OK 54 100 - 54 - 3.8/803=4, 3.8/272=3...(29) HE2 LYS 19 + HB2 LYS 31 OK 48 87 - 56 - 3.8/803=4, 3.8/272=3...(24) HE3 LYS 24 + HB2 LYS 24 OK 46 54 - 86 - 5.1=50, 1.8/558=6...(55) HE2 LYS 24 - HB2 LYS 31 OK 41 65 - 63 - 4.0/803=4, 4.0/514=3...(30) HE2 LYS 31 - HB2 LYS 24 OK 34 57 - 60 - 3.7/823=7, 3.7/834=7...(38) HE3 LYS 36 - HB2 LYS 31 OK 34 98 - 35 - 1.8/558=2, 840/3.0=2...(12) HE3 LYS 31 - HB2 LYS 24 OK 34 54 - 63 - 3.7/823=7, 3.7/834=7...(38) HE3 LYS 19 - HB2 LYS 24 OK 33 57 - 58 - 3.8/272=5, 1.8/558=4...(36) HE2 LYS 26 - HB2 LYS 24 OK 30 54 - 57 - 3.6/628=5, 3.6/639=3...(35) HE3 LYS 26 - HB2 LYS 24 OK 30 54 - 57 - 3.6/628=5, 3.6/639=3...(35) HE2 LYS 36 - HB2 LYS 31 OK 28 81 - 34 - 840/3.0=1, 829/3.0=1...(10) HE2 LYS 24 - HB2 LYS 24 OK 26 31 - 87 - 5.1=50, 4.0/803=4...(68) HE2 LYS 19 - HB2 LYS 24 OK 24 44 - 56 - 3.8/272=5, 3.8/525=3...(37) HE3 LYS 36 - HB2 LYS 24 OK 17 54 - 32 - 1.8/558=2, ~520=2...(15) HE2 LYS 36 - HB2 LYS 24 OK 12 39 - 30 - 521/2.9=2, ~520=1...(10) HE3 LYS 86 - HB2 LYS 31 lone 8 92 - 8 - 6.0/11778=1 HE3 LYS 86 - HB2 LYS 24 lone 2 48 - 5 - Peak 808 from cnoeabs.peaks (2.97, 1.74, 32.78 ppm; 4.02 A): 6 out of 22 assignments used, quality = 1.00: * HE3 LYS 31 + HB2 LYS 31 OK 94 100 - 94 - 4.8=57, 3.7/804=14...(90) HE2 LYS 31 + HB2 LYS 31 OK 92 98 - 93 - 4.8=57, 3.7/804=14...(76) HE2 LYS 26 + HB2 LYS 31 OK 70 100 - 70 - 3.6/804=5, 841/3.0=4...(42) HE3 LYS 26 + HB2 LYS 31 OK 70 100 - 70 - 3.6/804=5, 841/3.0=4...(42) HE3 LYS 19 + HB2 LYS 31 OK 53 98 - 54 - 3.8/803=4, 3.8/272=3...(29) HE3 LYS 24 + HB2 LYS 31 OK 52 87 - 60 - 4.0/803=4, 1.8/558=4...(31) HE3 LYS 24 - HB2 LYS 24 OK 37 44 - 86 - 5.1=50, 1.8/558=6...(55) HE3 LYS 31 - HB2 LYS 24 OK 36 57 - 63 - 3.7/823=7, 3.7/834=7...(38) HE2 LYS 19 - HB2 LYS 31 OK 36 65 - 55 - 3.8/803=4, 3.8/272=3...(23) HE2 LYS 26 - HB2 LYS 24 OK 33 57 - 57 - 3.6/628=5, 3.6/639=3...(35) HE3 LYS 26 - HB2 LYS 24 OK 33 57 - 57 - 3.6/628=5, 3.6/639=3...(35) HE2 LYS 31 - HB2 LYS 24 OK 32 54 - 60 - 3.7/823=7, 3.7/834=7...(38) HE3 LYS 19 - HB2 LYS 24 OK 31 54 - 58 - 3.8/272=5, 1.8/558=4...(36) HE3 LYS 36 - HB2 LYS 31 OK 30 87 - 34 - 1.8/558=2, 841/3.0=2...(10) HE2 LYS 36 - HB2 LYS 31 OK 19 57 - 33 - ~1041=1, ~1030=1...(10) HE2 LYS 19 - HB2 LYS 24 OK 17 31 - 55 - 3.8/272=5, 3.8/525=3...(37) HE3 LYS 36 - HB2 LYS 24 OK 14 44 - 31 - 1.8/558=2, ~520=2...(14) HE2 LYS 36 - HB2 LYS 24 poor 7 26 - 29 - ~520=1, ~1041=1, ~1030=1...(8) HE3 LYS 86 - HB2 LYS 31 lone 6 73 - 8 - 6.0/11778=1 HB3 ASN 121 - HB2 LYS 31 lone 2 81 - 2 - ~10323=1 HE3 LYS 86 - HB2 LYS 24 lone 2 35 - 5 - HB3 ASN 121 - HB2 LYS 24 lone 1 39 - 1 - Peak 809 from cnoeabs.peaks (8.14, 1.74, 32.78 ppm; 3.54 A): 4 out of 10 assignments used, quality = 0.90: * H ILE 32 + HB2 LYS 31 OK 80 100 - 80 - 4.6=46, 798/3.0=22...(15) H ALA 15 + HB2 LYS 31 OK 31 99 - 31 - 798/3.0=5, ~10790=5...(8) H ILE 32 + HB2 LYS 24 OK 19 57 - 34 - 6343=9, 3.6/790=6...(11) H VAL 133 + HB2 LYS 31 OK 11 92 - 11 - 4.0/11672=3, 6339/4.0=2...(6) H ASP 71 - HB2 LYS 31 lone 9 98 - 9 - 798/3.0=2, 6339/4.0=2...(5) H ALA 15 - HB2 LYS 24 lone 5 56 - 9 - 6115/4.1=3, 6119/2.9=1 H LEU 22 - HB2 LYS 31 lone 5 73 - 6 - 798/3.0=1 H VAL 133 - HB2 LYS 24 lone 3 48 - 7 - 4.0/11672=5 H ASP 71 - HB2 LYS 24 lone 2 54 - 5 - H LEU 22 - HB2 LYS 24 lone 1 35 - 2 - Peak 810 from cnoeabs.peaks (8.23, 1.81, 32.78 ppm; 3.08 A): 4 out of 12 assignments used, quality = 0.95: * H LYS 31 + HB3 LYS 31 OK 81 100 - 81 - 4.0=46, 6331/1.8=20...(17) H SER 33 + HB3 LYS 31 OK 44 100 - 44 - 6359/4.6=9, 6361=8...(13) H LYS 31 + HB3 LYS 19 OK 31 100 - 32 - 6332=6, 6331/1.8=5...(11) H LYS 31 + HB3 LYS 24 OK 29 79 - 37 - 6331/1.8=8, 6332=7...(13) H SER 107 - HB3 LYS 31 OK 17 100 - 17 - 10101/3.0=4, 799/1.8=3...(6) H SER 33 - HB3 LYS 19 OK 13 100 - 14 - 4.6/820=3, 6361=2...(5) H SER 33 - HB3 LYS 24 OK 11 79 - 14 - 6361=3, 6364/2.9=2...(5) H LYS 31 - HB2 LYS 36 poor 8 37 - 21 - 10896/3.9=4, 6332=3...(7) H SER 33 - HB2 LYS 36 poor 8 37 - 21 - 10896/3.9=5, 6361=4...(5) H SER 107 - HB3 LYS 19 lone 2 100 - 2 - H SER 107 - HB3 LYS 24 lone 2 79 - 3 - H SER 107 - HB2 LYS 36 lone 1 37 - 3 - Peak 811 from cnoeabs.peaks (4.28, 1.81, 32.78 ppm; 2.61 A): 3 out of 56 assignments used, quality = 0.95: * HA LYS 31 + HB3 LYS 31 OK 85 100 - 85 - 3.0=65, 790/1.8=12...(20) HA LYS 19 + HB3 LYS 19 OK 48 56 - 86 - 3.0=69, 3.0/259=10...(23) HA LYS 31 + HB3 LYS 19 OK 32 100 - 32 - 791=6, 790/1.8=4...(9) HA LYS 36 - HB2 LYS 36 OK 30 36 - 84 - 3.0=65, 978/3.0=13...(16) HA LYS 31 - HB3 LYS 24 OK 30 79 - 38 - 791=7, 790/1.8=5...(12) HA LYS 26 - HB3 LYS 31 OK 22 73 - 30 - 800/1.8=3, 833/3.0=2...(9) HA LYS 36 - HB3 LYS 31 OK 22 99 - 22 - 975=4, 800/1.8=2...(8) HA LYS 26 - HB3 LYS 19 OK 19 72 - 26 - 241/3.0=2, 595/1.8=2...(7) HA LYS 19 - HB3 LYS 31 OK 17 57 - 31 - 3.0/259=4, 4.2/263=3...(10) HA LYS 26 - HB3 LYS 24 OK 17 51 - 33 - 2.9/6251=2, ~6250=2...(15) HA LYS 36 - HB3 LYS 24 OK 14 77 - 18 - 975=3, 977/2.9=3...(5) HA LYS 19 - HB3 LYS 24 OK 12 39 - 31 - 3.0/259=3, 4.2/263=3...(11) HA ALA 15 - HB3 LYS 31 OK 11 73 - 16 - 2.1/10790=3, 3.0/820=2...(4) HA LYS 36 - HB3 LYS 19 lone 9 99 - 9 - 975=2 HA LYS 31 - HB2 LYS 36 poor 8 37 - 23 - 791=4, 996/1.8=3...(8) HA ARG 23 - HB3 LYS 24 poor 5 45 - 11 - 3.6/6221=4, 418/1.8=1 HA ALA 109 - HB3 LYS 31 lone 5 100 - 4 - HA ALA 108 - HB3 LYS 31 lone 5 100 - 4 - HB THR 115 - HB3 LYS 24 lone 4 75 - 6 - 10191/2.9=2, 11521/4.1=1 HA LEU 22 - HB3 LYS 31 lone 4 100 - 4 - HB THR 115 - HB2 LYS 36 poor 4 35 - 10 - 10191/3.0=3, ~10196=2...(4) HA ARG 23 - HB3 LYS 31 lone 3 65 - 5 - 3.6/6221=2, 10728/4.6=1 HA ARG 23 - HB3 LYS 19 lone 3 65 - 5 - 3.6/6221=2 HA LYS 26 - HB2 LYS 36 poor 3 22 - 14 - 996/1.8=2, 1007/3.0=2 HA ALA 12 - HB3 LYS 19 lone 3 72 - 4 - 2.1/263=1 HB THR 115 - HB3 LYS 31 lone 2 98 - 2 - HA ALA 110 - HB3 LYS 31 lone 2 81 - 2 - HA ALA 108 - HB2 LYS 36 lone 2 37 - 4 - HA LEU 22 - HB3 LYS 24 lone 1 79 - 2 - HA LYS 19 - HB2 LYS 36 lone 2 16 - 9 - 996/1.8=1 HA ALA 16 - HB3 LYS 31 lone 1 100 - 1 - HB THR 115 - HB3 LYS 19 lone 1 97 - 1 - HA LEU 22 - HB2 LYS 36 lone 1 37 - 4 - 996/1.8=1 HA ALA 15 - HB3 LYS 24 lone 1 51 - 3 - HA GLN 61 - HB3 LYS 31 lone 1 96 - 1 - HA ALA 109 - HB2 LYS 36 lone 1 37 - 3 - HA LEU 22 - HB3 LYS 19 lone 1 100 - 1 - HA ALA 15 - HB3 LYS 19 lone 1 72 - 1 - HA ALA 108 - HB3 LYS 24 lone 1 79 - 1 - HA ALA 108 - HB3 LYS 19 lone 1 100 - 1 - HA ALA 109 - HB3 LYS 24 lone 1 79 - 1 - HA ALA 109 - HB3 LYS 19 lone 1 100 - 1 - HA ALA 16 - HB2 LYS 36 lone 1 37 - 2 - HA GLN 61 - HB3 LYS 24 lone 1 71 - 1 - HA ALA 12 - HB3 LYS 31 lone 0 73 - 1 - HA GLN 61 - HB2 LYS 36 lone 0 33 - 1 - HA ALA 110 - HB2 LYS 36 lone 0 25 - 2 - HA ALA 16 - HB3 LYS 19 lone 0 100 - 0 - HA ALA 110 - HB3 LYS 24 lone 0 57 - 1 - HA ALA 110 - HB3 LYS 19 lone 0 80 - 0 - HA ALA 15 - HB2 LYS 36 lone 0 22 - 2 - HA ALA 16 - HB3 LYS 24 lone 0 79 - 0 - HA ALA 12 - HB3 LYS 24 lone 0 51 - 1 - HA GLN 61 - HB3 LYS 19 lone 0 95 - 0 - HA ARG 23 - HB2 LYS 36 lone 0 19 - 1 - HA ALA 12 - HB2 LYS 36 lone 0 22 - 0 - Peak 812 from cnoeabs.peaks (1.74, 1.81, 32.78 ppm; 2.50 A): 3 out of 24 assignments used, quality = 1.00: * HB2 LYS 31 + HB3 LYS 31 OK 100 100 - 100 - 1.8=100 HB2 LYS 19 + HB3 LYS 19 OK 80 80 - 100 - 1.8=100 HB2 LYS 24 + HB3 LYS 24 OK 71 71 - 100 - 1.8=100 HB2 LYS 24 - HB3 LYS 31 OK 41 96 - 43 - 790/3.0=3, 823/3.0=3...(15) HB2 LYS 31 - HB3 LYS 19 OK 37 100 - 37 - 802=5, 3.0/835=3...(14) HB2 LYS 24 - HB3 LYS 19 OK 37 95 - 39 - 802=3, 252/3.0=3...(16) HB2 LYS 31 - HB3 LYS 24 OK 36 79 - 46 - 802=6, 3.0/835=3...(16) HB2 LYS 26 - HB3 LYS 31 OK 30 81 - 38 - 823/3.0=3, 834/3.0=3...(12) HB2 LYS 19 - HB3 LYS 31 OK 30 81 - 37 - 3.0/263=4, 3.9/259=3...(15) HB2 LYS 26 - HB3 LYS 19 OK 26 80 - 33 - 252/3.0=3, 251=2...(12) HB2 LYS 19 - HB3 LYS 24 OK 23 57 - 41 - 3.0/263=4, 481/3.0=2...(19) HB2 LYS 26 - HB3 LYS 24 OK 22 57 - 38 - 491/3.0=3, 6220/4.1=2...(16) HB2 LYS 31 - HB2 LYS 36 poor 8 37 - 20 - 802=2, 3.0/791=2, ~997=1...(6) HB2 LYS 24 - HB2 LYS 36 poor 5 33 - 14 - ~997=1, ~999=1, 2.9/515=1 HB2 LYS 26 - HB2 LYS 36 poor 3 25 - 13 - ~997=1 HG13 ILE 129 - HB3 LYS 31 lone 3 100 - 3 - HB ILE 80 - HB3 LYS 31 lone 3 87 - 3 - HB2 LYS 19 - HB2 LYS 36 lone 2 25 - 9 - HG13 ILE 129 - HB3 LYS 19 lone 2 100 - 1 - HG13 ILE 129 - HB3 LYS 24 lone 1 79 - 2 - HG13 ILE 129 - HB2 LYS 36 lone 0 37 - 1 - HB ILE 80 - HB3 LYS 19 lone 0 86 - 0 - HB ILE 80 - HB3 LYS 24 lone 0 62 - 0 - HB ILE 80 - HB2 LYS 36 lone 0 28 - 0 - Peak 813 from cnoeabs.peaks (1.81, 1.81, 32.78 ppm; diagonal): 3 out of 4 assignments used, quality = 1.00: * HB3 LYS 31 + HB3 LYS 31 OK 100 100 - 100 HB3 LYS 19 + HB3 LYS 19 OK 100 100 - 100 HB3 LYS 24 + HB3 LYS 24 OK 77 77 - 100 HB2 LYS 36 - HB2 LYS 36 OK 30 30 - 100 Peak 814 from cnoeabs.peaks (1.44, 1.81, 32.78 ppm; 2.68 A): 5 out of 20 assignments used, quality = 1.00: HG3 LYS 19 + HB3 LYS 19 OK 91 99 - 92 - 3.0=73, 1.8/263=16...(35) * HG2 LYS 31 + HB3 LYS 31 OK 89 100 - 89 - 3.0=73, 1.8/815=9...(22) HG3 LYS 24 + HB3 LYS 24 OK 64 71 - 90 - 2.9=76, 524/3.0=8...(17) HG3 LYS 24 + HB3 LYS 31 OK 47 96 - 49 - 803/1.8=4, 836/3.0=4...(18) HG3 LYS 24 + HB3 LYS 19 OK 46 95 - 48 - 285/3.0=6, 284=4...(20) HG3 LYS 19 - HB3 LYS 31 OK 43 99 - 44 - 1.8/263=7, 803/1.8=4...(15) HG2 LYS 31 - HB3 LYS 19 OK 43 100 - 43 - 824=5, 1.8/835=4...(14) HG2 LYS 31 - HB3 LYS 24 OK 40 79 - 51 - 824=6, 823/1.8=5...(15) HG3 LYS 19 - HB3 LYS 24 OK 39 77 - 51 - 1.8/263=7, 524/3.0=5...(18) HG13 ILE 32 - HB3 LYS 31 OK 35 98 - 36 - 919/4.6=5, 921=3...(14) HG2 LYS 26 - HB3 LYS 31 OK 30 65 - 45 - 1.8/815=3, 836/3.0=3...(16) HG13 ILE 32 - HB3 LYS 19 OK 25 97 - 25 - 921=2, ~10738=2...(12) HG2 LYS 26 - HB3 LYS 19 OK 22 65 - 35 - 628/1.8=2, 1.8/815=2...(10) HG2 LYS 26 - HB3 LYS 24 OK 20 45 - 45 - ~483=3, 628/1.8=3...(16) HG13 ILE 32 - HB3 LYS 24 OK 13 75 - 17 - ~10738=2, 921=2...(4) HG2 LYS 31 - HB2 LYS 36 poor 7 37 - 20 - 824=2, 1.8/835=2...(5) HG3 LYS 24 - HB2 LYS 36 poor 7 33 - 22 - ~999=2, 1.8/515=2, 284=2...(6) HG3 LYS 19 - HB2 LYS 36 lone 3 36 - 9 - 1.8/273=1 HG13 ILE 32 - HB2 LYS 36 lone 3 35 - 10 - 1.8/913=1, 3.2/905=1...(5) HG2 LYS 26 - HB2 LYS 36 poor 2 19 - 13 - ~999=2, ~977=1 Peak 815 from cnoeabs.peaks (1.39, 1.81, 32.78 ppm; 2.60 A): 3 out of 40 assignments used, quality = 0.94: * HG3 LYS 31 + HB3 LYS 31 OK 85 100 - 85 - 3.0=67, 804/1.8=12...(19) HG3 LYS 31 + HB3 LYS 19 OK 38 100 - 38 - 835=5, 1.8/824=4...(10) HG3 LYS 31 + HB3 LYS 24 OK 37 79 - 46 - 835=6, 834/1.8=5...(15) HG3 LYS 26 - HB3 LYS 31 OK 28 65 - 42 - 804/1.8=4, 826/3.0=3...(13) HG3 LYS 26 - HB3 LYS 19 OK 20 65 - 31 - ~628=2, ~608=2...(9) HG3 LYS 26 - HB3 LYS 24 OK 17 45 - 39 - ~628=3, 1.8/629=3...(11) HG2 LYS 95 - HB3 LYS 31 OK 13 98 - 13 - 804/1.8=2, 793/3.0=1...(4) HG3 LYS 95 - HB3 LYS 31 OK 12 92 - 13 - 804/1.8=2, 826/3.0=1, 793/3.0=1 QB ALA 15 - HB3 LYS 31 OK 11 73 - 15 - 2.9/820=2, 10790=2...(5) HG3 LYS 31 - HB2 LYS 36 poor 7 37 - 18 - 835=2, 1.8/824=2...(4) HG LEU 96 - HB3 LYS 31 lone 6 81 - 7 - QB ALA 109 - HB3 LYS 31 lone 5 99 - 5 - QB ALA 108 - HB3 LYS 31 lone 4 87 - 4 - HG2 LYS 95 - HB3 LYS 24 lone 3 75 - 3 - HG3 LYS 95 - HB3 LYS 24 lone 2 67 - 3 - HG3 LYS 26 - HB2 LYS 36 poor 2 19 - 11 - 1.8/629=1 QB ALA 28 - HB3 LYS 31 lone 2 81 - 2 - HG2 LYS 95 - HB3 LYS 19 lone 1 97 - 1 - QB ALA 110 - HB3 LYS 31 lone 1 73 - 2 - HG3 LYS 95 - HB3 LYS 19 lone 1 91 - 1 - QB ALA 15 - HB3 LYS 24 lone 1 51 - 2 - HG LEU 96 - HB3 LYS 24 lone 1 57 - 2 - QB ALA 15 - HB3 LYS 19 lone 1 72 - 1 - QB ALA 109 - HB2 LYS 36 lone 1 36 - 2 - QB ALA 108 - HB2 LYS 36 lone 1 28 - 2 - QB ALA 109 - HB3 LYS 24 lone 1 77 - 1 - QB ALA 109 - HB3 LYS 19 lone 1 99 - 1 - QB ALA 28 - HB3 LYS 24 lone 1 57 - 1 - QB ALA 28 - HB3 LYS 19 lone 1 80 - 1 - HG2 LYS 95 - HB2 LYS 36 lone 1 35 - 2 - QB ALA 108 - HB3 LYS 24 lone 1 62 - 1 - QB ALA 108 - HB3 LYS 19 lone 1 86 - 1 - HG LEU 96 - HB3 LYS 19 lone 1 80 - 1 - HG3 LYS 95 - HB2 LYS 36 lone 1 30 - 2 - HG LEU 96 - HB2 LYS 36 lone 0 25 - 1 - QB ALA 15 - HB2 LYS 36 lone 0 22 - 1 - QB ALA 110 - HB3 LYS 24 lone 0 51 - 1 - QB ALA 110 - HB3 LYS 19 lone 0 72 - 0 - QB ALA 110 - HB2 LYS 36 lone 0 22 - 1 - QB ALA 28 - HB2 LYS 36 lone 0 25 - 1 - Peak 816 from cnoeabs.peaks (1.66, 1.81, 32.78 ppm; 2.67 A): 6 out of 60 assignments used, quality = 1.00: * HD2 LYS 31 + HB3 LYS 31 OK 79 100 - 79 - 3.5=45, 2.9/815=6...(27) HD3 LYS 31 + HB3 LYS 31 OK 78 100 - 78 - 3.5=45, 2.9/815=6...(27) HD2 LYS 24 + HB3 LYS 24 OK 60 79 - 76 - 3.5=43, 3.0/515=4...(35) HD3 LYS 24 + HB3 LYS 24 OK 60 79 - 76 - 3.5=43, 3.0/515=4...(35) HD2 LYS 26 + HB3 LYS 31 OK 46 100 - 47 - 839/3.0=3, 806/1.8=2...(16) HD3 LYS 26 + HB3 LYS 31 OK 46 98 - 47 - 839/3.0=2, 806/1.8=2...(18) HD2 LYS 24 - HB3 LYS 31 OK 44 100 - 44 - 839/3.0=2, 806/1.8=2...(15) HD3 LYS 24 - HB3 LYS 31 OK 44 100 - 44 - 839/3.0=2, 806/1.8=2...(16) HD2 LYS 31 - HB3 LYS 24 OK 40 79 - 50 - 2.9/835=3, 2.9/824=3...(18) HD3 LYS 31 - HB3 LYS 24 OK 39 79 - 50 - 2.9/835=3, 2.9/824=3...(18) HD2 LYS 31 - HB3 LYS 19 OK 38 100 - 38 - 2.9/835=3, 2.9/824=3...(8) HD3 LYS 31 - HB3 LYS 19 OK 38 100 - 38 - 2.9/835=3, 2.9/824=3...(8) HD2 LYS 24 - HB3 LYS 19 OK 36 100 - 36 - 3.0/515=2, 3.0/284=2...(8) HD3 LYS 24 - HB3 LYS 19 OK 36 100 - 36 - 3.0/515=2, 3.0/284=2...(8) HD2 LYS 26 - HB3 LYS 24 OK 35 79 - 45 - 486/3.0=2, 2.9/629=2...(17) HD2 LYS 26 - HB3 LYS 19 OK 33 100 - 33 - ~628=2, 2.9/815=1...(7) HD3 LYS 26 - HB3 LYS 24 OK 33 75 - 44 - 486/3.0=2, 2.9/629=2...(18) HD3 LYS 26 - HB3 LYS 19 OK 29 97 - 30 - ~628=2, 2.9/815=1...(5) HD3 LYS 36 - HB2 LYS 36 OK 15 19 - 80 - 3.5=44, ~1042=6, ~1031=6...(36) HD2 LYS 36 - HB2 LYS 36 OK 15 19 - 80 - 3.5=44, ~1042=6, ~1031=6...(36) HD3 LYS 36 - HB3 LYS 31 OK 13 65 - 19 - 3.0/1019=2, 3.0/1008=2...(4) HD2 LYS 36 - HB3 LYS 31 OK 13 65 - 19 - 3.0/1019=2, 3.0/1008=2...(4) HD3 LYS 95 - HB3 LYS 31 lone 10 99 - 10 - HD3 LYS 24 - HB2 LYS 36 poor 9 37 - 24 - ~999=1, ~1002=1, ~1001=1...(6) HD3 LYS 36 - HB3 LYS 24 poor 8 45 - 18 - 3.0/1008=2, 3.0/1019=1...(4) HD2 LYS 36 - HB3 LYS 24 poor 8 45 - 18 - 3.0/1008=2, 3.0/1019=1...(4) HD3 LYS 36 - HB3 LYS 19 poor 8 65 - 12 - HD2 LYS 36 - HB3 LYS 19 poor 8 65 - 12 - HD2 LYS 95 - HB3 LYS 31 lone 8 81 - 9 - HD2 LYS 24 - HB2 LYS 36 poor 8 37 - 20 - ~999=1, 3.0/515=1...(4) HD3 LYS 31 - HB2 LYS 36 poor 7 37 - 20 - 2.9/835=1, 2.9/824=1...(4) HD2 LYS 31 - HB2 LYS 36 poor 6 37 - 17 - 2.9/835=1, 2.9/824=1 HD2 LYS 86 - HB3 LYS 31 lone 6 99 - 6 - HD3 LYS 86 - HB3 LYS 31 lone 6 99 - 6 - HD2 LYS 26 - HB2 LYS 36 lone 3 37 - 9 - ~999=1 HD2 LYS 86 - HB2 LYS 36 lone 3 36 - 9 - ~1000=1, 2686/3.0=1 HD3 LYS 86 - HB2 LYS 36 lone 3 36 - 9 - ~1000=1, 2686/3.0=1 HD3 LYS 26 - HB2 LYS 36 lone 3 35 - 9 - ~999=1 HD3 LYS 86 - HB3 LYS 24 lone 3 77 - 4 - HD2 LYS 86 - HB3 LYS 24 lone 3 77 - 4 - HD3 LYS 95 - HB3 LYS 24 lone 3 77 - 3 - HD2 LYS 86 - HB3 LYS 19 lone 2 99 - 2 - HD3 LYS 86 - HB3 LYS 19 lone 2 99 - 2 - HB2 LEU 69 - HB3 LYS 24 lone 2 51 - 4 - HD2 LYS 95 - HB3 LYS 24 lone 2 57 - 3 - HB2 LEU 69 - HB3 LYS 31 lone 1 73 - 2 - HD3 LYS 95 - HB3 LYS 19 lone 1 99 - 1 - QB ALA 88 - HB3 LYS 31 lone 1 100 - 1 - HB2 LEU 98 - HB3 LYS 19 lone 1 65 - 2 - HB2 LEU 98 - HB3 LYS 31 lone 1 65 - 2 - QB ALA 88 - HB3 LYS 19 lone 1 100 - 1 - HD2 LYS 95 - HB3 LYS 19 lone 1 80 - 1 - HB2 LEU 69 - HB2 LYS 36 lone 1 22 - 3 - ~10901=1 QB ALA 88 - HB3 LYS 24 lone 1 79 - 1 - HB2 LEU 98 - HB3 LYS 24 lone 0 45 - 1 - HD3 LYS 95 - HB2 LYS 36 lone 0 36 - 1 - HB2 LEU 69 - HB3 LYS 19 lone 0 72 - 0 - HB2 LEU 98 - HB2 LYS 36 lone 0 19 - 1 - QB ALA 88 - HB2 LYS 36 lone 0 37 - 1 - HD2 LYS 95 - HB2 LYS 36 lone 0 25 - 1 - Peak 817 from cnoeabs.peaks (1.66, 1.81, 32.78 ppm; 2.67 A): 6 out of 52 assignments used, quality = 1.00: HD2 LYS 31 + HB3 LYS 31 OK 78 100 - 79 - 3.5=45, 2.9/815=6...(27) * HD3 LYS 31 + HB3 LYS 31 OK 78 100 - 78 - 3.5=45, 2.9/815=6...(27) HD3 LYS 24 + HB3 LYS 24 OK 60 79 - 76 - 3.5=43, 3.0/515=4...(35) HD2 LYS 24 + HB3 LYS 24 OK 60 79 - 76 - 3.5=43, 3.0/515=4...(35) HD3 LYS 26 + HB3 LYS 31 OK 47 99 - 47 - 839/3.0=2, 806/1.8=2...(18) HD2 LYS 26 + HB3 LYS 31 OK 47 100 - 47 - 839/3.0=3, 806/1.8=2...(16) HD2 LYS 24 - HB3 LYS 31 OK 44 100 - 44 - 839/3.0=2, 806/1.8=2...(15) HD3 LYS 24 - HB3 LYS 31 OK 44 100 - 44 - 839/3.0=2, 806/1.8=2...(16) HD3 LYS 31 - HB3 LYS 24 OK 40 79 - 50 - 2.9/835=3, 2.9/824=3...(18) HD2 LYS 31 - HB3 LYS 24 OK 39 79 - 50 - 2.9/835=3, 2.9/824=3...(18) HD2 LYS 31 - HB3 LYS 19 OK 38 100 - 38 - 2.9/835=3, 2.9/824=3...(8) HD3 LYS 31 - HB3 LYS 19 OK 38 100 - 38 - 2.9/835=3, 2.9/824=3...(8) HD2 LYS 24 - HB3 LYS 19 OK 36 100 - 36 - 3.0/515=2, 3.0/284=2...(8) HD3 LYS 24 - HB3 LYS 19 OK 36 100 - 36 - 3.0/515=2, 3.0/284=2...(8) HD2 LYS 26 - HB3 LYS 24 OK 35 79 - 45 - 486/3.0=2, 2.9/629=2...(17) HD3 LYS 26 - HB3 LYS 24 OK 34 77 - 44 - 486/3.0=2, 2.9/629=2...(18) HD2 LYS 26 - HB3 LYS 19 OK 33 100 - 33 - ~628=2, 2.9/815=1...(7) HD3 LYS 26 - HB3 LYS 19 OK 30 99 - 31 - ~628=2, 2.9/815=1...(5) HD3 LYS 95 - HB3 LYS 31 lone 10 100 - 10 - HD3 LYS 24 - HB2 LYS 36 poor 9 37 - 24 - ~999=1, ~1002=1, ~1001=1...(6) HD2 LYS 95 - HB3 LYS 31 lone 8 87 - 9 - HD3 LYS 31 - HB2 LYS 36 poor 7 37 - 20 - 2.9/835=1, 2.9/824=1...(4) HD2 LYS 24 - HB2 LYS 36 poor 7 37 - 20 - ~999=1, 3.0/515=1...(4) HD2 LYS 31 - HB2 LYS 36 poor 6 37 - 17 - 2.9/835=1, 2.9/824=1 HD2 LYS 86 - HB3 LYS 31 lone 6 100 - 6 - HD3 LYS 86 - HB3 LYS 31 lone 6 100 - 6 - HD2 LYS 26 - HB2 LYS 36 lone 3 37 - 9 - ~999=1 HD2 LYS 86 - HB2 LYS 36 lone 3 37 - 9 - ~1000=1, 2686/3.0=1 HD3 LYS 86 - HB2 LYS 36 lone 3 37 - 9 - ~1000=1, 2686/3.0=1 HD3 LYS 26 - HB2 LYS 36 lone 3 36 - 9 - ~999=1 HD3 LYS 86 - HB3 LYS 24 lone 3 79 - 4 - HD2 LYS 86 - HB3 LYS 24 lone 3 79 - 4 - HD3 LYS 95 - HB3 LYS 24 lone 3 79 - 3 - HD2 LYS 86 - HB3 LYS 19 lone 2 100 - 2 - HD3 LYS 86 - HB3 LYS 19 lone 2 100 - 2 - HD2 LYS 95 - HB3 LYS 24 lone 2 62 - 3 - HB2 LEU 69 - HB3 LYS 24 lone 2 45 - 4 - HD3 LYS 95 - HB3 LYS 19 lone 1 100 - 1 - HB2 LEU 98 - HB3 LYS 19 lone 1 72 - 2 - HB2 LEU 69 - HB3 LYS 31 lone 1 65 - 2 - HB2 LEU 98 - HB3 LYS 31 lone 1 73 - 2 - QB ALA 88 - HB3 LYS 31 lone 1 100 - 1 - QB ALA 88 - HB3 LYS 19 lone 1 100 - 1 - HD2 LYS 95 - HB3 LYS 19 lone 1 86 - 1 - QB ALA 88 - HB3 LYS 24 lone 1 79 - 1 - HB2 LEU 69 - HB2 LYS 36 lone 1 19 - 3 - ~10901=1 HB2 LEU 98 - HB3 LYS 24 lone 1 51 - 1 - HD3 LYS 95 - HB2 LYS 36 lone 0 37 - 1 - HB2 LEU 98 - HB2 LYS 36 lone 0 22 - 1 - HB2 LEU 69 - HB3 LYS 19 lone 0 65 - 0 - HD2 LYS 95 - HB2 LYS 36 lone 0 28 - 1 - QB ALA 88 - HB2 LYS 36 lone 0 37 - 1 - Peak 818 from cnoeabs.peaks (2.96, 1.81, 32.78 ppm; 3.79 A): 15 out of 44 assignments used, quality = 1.00: HE3 LYS 19 + HB3 LYS 19 OK 90 100 - 90 - 5.1=42, 3.8/263=15...(44) * HE2 LYS 31 + HB3 LYS 31 OK 89 100 - 89 - 4.8=48, 3.7/815=9...(63) HE3 LYS 31 + HB3 LYS 31 OK 88 98 - 90 - 4.8=48, 3.7/815=9...(66) HE2 LYS 19 + HB3 LYS 19 OK 78 86 - 90 - 5.1=42, 3.8/263=15...(50) HE3 LYS 26 + HB3 LYS 31 OK 63 98 - 64 - 841/3.0=4, 830/3.0=4...(36) HE2 LYS 26 + HB3 LYS 31 OK 63 98 - 64 - 841/3.0=4, 830/3.0=4...(36) HE3 LYS 24 + HB3 LYS 24 OK 61 75 - 82 - 5.1=42, 4.0/515=5...(50) HE3 LYS 24 + HB3 LYS 31 OK 52 98 - 53 - 840/3.0=3, ~558=3...(28) HE3 LYS 31 + HB3 LYS 19 OK 50 97 - 51 - 3.7/835=5, 3.7/824=5...(16) HE3 LYS 19 + HB3 LYS 31 OK 50 100 - 50 - 3.8/263=7, 2.9/266=3...(28) HE2 LYS 31 + HB3 LYS 19 OK 50 100 - 50 - 329/3.0=5, 3.7/835=5...(18) HE2 LYS 26 + HB3 LYS 19 OK 48 97 - 50 - 329/3.0=4, ~329=2...(23) HE3 LYS 26 + HB3 LYS 19 OK 48 97 - 50 - 329/3.0=4, ~329=2...(23) HE3 LYS 24 + HB3 LYS 19 OK 48 97 - 49 - 329/3.0=5, ~318=4...(25) HE2 LYS 19 + HB3 LYS 31 OK 45 87 - 52 - 3.8/263=7, 2.9/265=3...(27) HE3 LYS 19 - HB3 LYS 24 OK 44 79 - 56 - 3.8/263=7, 2.9/306=4...(36) HE2 LYS 31 - HB3 LYS 24 OK 44 79 - 56 - 3.7/835=5, 3.7/824=5...(30) HE3 LYS 31 - HB3 LYS 24 OK 44 75 - 59 - 3.7/835=5, 3.7/824=5...(31) HE3 LYS 26 - HB3 LYS 24 OK 39 75 - 53 - 3.6/629=3, 3.6/640=2...(22) HE2 LYS 26 - HB3 LYS 24 OK 39 75 - 53 - 3.6/629=3, 3.6/640=2...(22) HE2 LYS 24 - HB3 LYS 24 OK 37 45 - 83 - 5.1=42, 4.0/515=5...(62) HE2 LYS 24 - HB3 LYS 31 OK 36 65 - 56 - 4.0/515=3, 4.0/284=3...(31) HE2 LYS 19 - HB3 LYS 24 OK 34 62 - 55 - 3.8/263=7, 2.9/306=4...(35) HE2 LYS 24 - HB3 LYS 19 OK 33 65 - 52 - 318/3.0=5, ~318=4...(25) HE3 LYS 36 - HB3 LYS 31 OK 32 98 - 33 - 4.0/1019=2, 4.0/1008=2...(11) HE3 LYS 36 - HB2 LYS 36 OK 32 35 - 92 - 4.9=46, 1064/1.8=10...(39) HE3 LYS 36 - HB3 LYS 19 OK 27 97 - 28 - 318/3.0=2, ~318=2...(10) HE2 LYS 36 - HB3 LYS 31 OK 27 81 - 33 - 4.0/1019=2, 4.0/1008=2...(9) HE3 LYS 36 - HB3 LYS 24 OK 25 75 - 33 - 4.0/1008=2, 4.0/1019=2...(13) HE2 LYS 36 - HB3 LYS 19 OK 23 80 - 28 - 318/3.0=3, ~318=2...(10) HE2 LYS 36 - HB2 LYS 36 OK 23 25 - 91 - 4.9=46, ~1042=8, ~1031=8...(39) HE2 LYS 36 - HB3 LYS 24 OK 18 57 - 32 - 4.0/1008=2, 4.0/1019=2...(9) HE3 LYS 24 - HB2 LYS 36 OK 16 35 - 46 - 1064/1.8=5, ~1053=3...(28) HE3 LYS 31 - HB2 LYS 36 OK 13 35 - 36 - ~1064=2, 3.7/835=2...(17) HE2 LYS 31 - HB2 LYS 36 OK 12 37 - 34 - 1064/1.8=3, 3.7/835=2...(11) HE3 LYS 19 - HB2 LYS 36 OK 10 37 - 27 - 1064/1.8=2, ~1053=2...(14) HE2 LYS 24 - HB2 LYS 36 poor 9 19 - 47 - 1053/1.8=3, ~1064=3...(30) HE2 LYS 19 - HB2 LYS 36 poor 7 28 - 24 - 1064/1.8=2, 1026/3.0=2...(10) HE3 LYS 86 - HB3 LYS 31 lone 6 92 - 7 - HE2 LYS 26 - HB2 LYS 36 poor 5 35 - 15 - 3.6/629=1, 3.6/640=1 HE3 LYS 26 - HB2 LYS 36 poor 5 35 - 15 - 3.6/629=1, 3.6/640=1 HE3 LYS 86 - HB3 LYS 19 lone 3 91 - 3 - HE3 LYS 86 - HB2 LYS 36 poor 3 30 - 10 - ~2697=3, 1064/1.8=1, 1026/3.0=1 HE3 LYS 86 - HB3 LYS 24 lone 3 67 - 4 - Peak 819 from cnoeabs.peaks (2.97, 1.81, 32.78 ppm; 3.79 A): 14 out of 44 assignments used, quality = 1.00: * HE3 LYS 31 + HB3 LYS 31 OK 90 100 - 90 - 4.8=48, 3.7/815=9...(66) HE3 LYS 19 + HB3 LYS 19 OK 88 97 - 90 - 5.1=42, 3.8/263=15...(44) HE2 LYS 31 + HB3 LYS 31 OK 87 98 - 89 - 4.8=48, 3.7/815=9...(63) HE3 LYS 26 + HB3 LYS 31 OK 64 100 - 64 - 841/3.0=4, 830/3.0=4...(36) HE2 LYS 26 + HB3 LYS 31 OK 64 100 - 64 - 841/3.0=4, 830/3.0=4...(36) HE2 LYS 19 + HB3 LYS 19 OK 58 65 - 90 - 5.1=42, 3.8/263=15...(50) HE3 LYS 31 + HB3 LYS 19 OK 51 100 - 51 - 3.7/835=5, 3.7/824=5...(16) HE3 LYS 24 + HB3 LYS 24 OK 51 62 - 82 - 5.1=42, 4.0/515=5...(50) HE3 LYS 26 + HB3 LYS 19 OK 49 100 - 50 - 329/3.0=4, ~329=2...(23) HE2 LYS 26 + HB3 LYS 19 OK 49 100 - 50 - 329/3.0=4, ~329=2...(23) HE3 LYS 19 + HB3 LYS 31 OK 49 98 - 50 - 3.8/263=7, 2.9/265=3...(28) HE2 LYS 31 + HB3 LYS 19 OK 48 97 - 49 - 3.7/835=5, 3.7/824=5...(18) HE3 LYS 31 + HB3 LYS 24 OK 46 79 - 59 - 3.7/835=5, 3.7/824=5...(31) HE3 LYS 24 + HB3 LYS 31 OK 45 87 - 52 - 841/3.0=3, ~558=3...(28) HE3 LYS 26 - HB3 LYS 24 OK 42 79 - 53 - 3.6/629=3, 3.6/640=2...(22) HE2 LYS 26 - HB3 LYS 24 OK 42 79 - 53 - 3.6/629=3, 3.6/640=2...(22) HE3 LYS 19 - HB3 LYS 24 OK 42 75 - 56 - 3.8/263=7, 2.9/306=4...(36) HE2 LYS 31 - HB3 LYS 24 OK 41 75 - 55 - 3.7/835=5, 3.7/824=5...(30) HE3 LYS 24 - HB3 LYS 19 OK 41 86 - 48 - 329/3.0=4, ~318=4...(25) HE2 LYS 19 - HB3 LYS 31 OK 34 65 - 52 - 3.8/263=7, 2.9/265=3...(26) HE3 LYS 36 - HB3 LYS 31 OK 28 87 - 33 - 4.0/1019=2, 4.0/1008=2...(11) HE3 LYS 36 - HB2 LYS 36 OK 25 28 - 91 - 4.9=46, ~1042=8, ~1031=8...(39) HE2 LYS 19 - HB3 LYS 24 OK 24 45 - 54 - 3.8/263=7, 2.9/306=4...(35) HE3 LYS 36 - HB3 LYS 19 OK 24 86 - 27 - 329/3.0=2, ~318=2...(10) HE3 LYS 36 - HB3 LYS 24 OK 20 62 - 32 - 4.0/1008=2, 4.0/1019=2...(11) HE2 LYS 36 - HB3 LYS 31 OK 18 57 - 32 - 4.0/1019=2, 4.0/1008=2...(9) HE2 LYS 36 - HB3 LYS 19 OK 15 56 - 26 - ~318=2, 318/3.0=2...(9) HE2 LYS 36 - HB2 LYS 36 OK 15 16 - 90 - 4.9=46, ~1042=8, ~1031=8...(39) HE3 LYS 31 - HB2 LYS 36 OK 13 37 - 35 - ~1064=2, 3.7/835=2...(17) HE3 LYS 24 - HB2 LYS 36 OK 12 28 - 44 - 1064/1.8=4, ~1053=3...(25) HE2 LYS 36 - HB3 LYS 24 OK 12 39 - 30 - 4.0/1008=2, 4.0/1019=2...(7) HE2 LYS 31 - HB2 LYS 36 OK 11 35 - 32 - 1064/1.8=2, 3.7/835=2...(11) HE3 LYS 19 - HB2 LYS 36 poor 9 35 - 26 - ~1053=2, 1064/1.8=2...(14) HE2 LYS 26 - HB2 LYS 36 poor 5 37 - 14 - 3.6/629=1, 3.6/640=1 HE3 LYS 26 - HB2 LYS 36 poor 5 37 - 14 - 3.6/629=1, 3.6/640=1 HE3 LYS 86 - HB3 LYS 31 lone 5 73 - 6 - HE2 LYS 19 - HB2 LYS 36 poor 4 19 - 23 - 1064/1.8=2, ~1064=2...(10) HE3 LYS 86 - HB3 LYS 19 lone 2 72 - 3 - HE3 LYS 86 - HB2 LYS 36 lone 2 22 - 9 - ~2697=3, 1064/1.8=1 HB3 ASN 121 - HB3 LYS 31 lone 2 81 - 2 - 3.0/10323=1 HE3 LYS 86 - HB3 LYS 24 lone 2 51 - 4 - HB3 ASN 121 - HB3 LYS 19 lone 1 80 - 1 - HB3 ASN 121 - HB3 LYS 24 lone 1 57 - 1 - HB3 ASN 121 - HB2 LYS 36 lone 0 25 - 1 - Peak 820 from cnoeabs.peaks (8.14, 1.81, 32.78 ppm; 3.51 A): 3 out of 20 assignments used, quality = 0.94: * H ILE 32 + HB3 LYS 31 OK 82 100 - 82 - 4.6=44, 798/3.0=22...(17) H ILE 32 + HB3 LYS 19 OK 54 100 - 54 - 10806/3.9=19, 6344=8...(15) H ALA 15 + HB3 LYS 31 OK 30 99 - 31 - 809/1.8=6, 798/3.0=5...(6) H ILE 32 - HB3 LYS 24 OK 27 79 - 34 - 6343/1.8=6, 6344=5...(11) H ASP 71 - HB3 LYS 31 OK 10 98 - 10 - 809/1.8=2, 798/3.0=2...(5) H ILE 32 - HB2 LYS 36 poor 9 37 - 25 - 11920/3.9=8, 6342/3.0=3...(8) H VAL 133 - HB3 LYS 31 lone 9 92 - 10 - 809/1.8=2, 6339/4.0=2...(5) H ALA 15 - HB3 LYS 24 lone 7 77 - 9 - 6115/4.1=3, 809/1.8=1 H LEU 22 - HB3 LYS 31 lone 5 73 - 6 - 798/3.0=1, 809/1.8=1 H ALA 15 - HB3 LYS 19 lone 4 99 - 4 - H ASP 71 - HB3 LYS 24 lone 4 75 - 5 - H ASP 71 - HB3 LYS 19 lone 2 97 - 2 - H VAL 133 - HB3 LYS 24 lone 2 67 - 3 - H VAL 133 - HB3 LYS 19 lone 2 91 - 2 - H ALA 15 - HB2 LYS 36 lone 2 36 - 5 - H LEU 22 - HB3 LYS 24 lone 1 51 - 2 - H ASP 71 - HB2 LYS 36 lone 1 35 - 3 - 11920/3.9=1 H LEU 22 - HB3 LYS 19 lone 1 72 - 1 - H LEU 22 - HB2 LYS 36 lone 1 22 - 3 - ~996=1 H VAL 133 - HB2 LYS 36 lone 0 30 - 2 - Peak 821 from cnoeabs.peaks (8.23, 1.44, 24.73 ppm; 5.06 A): 2 out of 3 assignments used, quality = 1.00: * H LYS 31 + HG2 LYS 31 OK 100 100 - 100 - 5.0=100 H SER 33 + HG2 LYS 31 OK 71 100 - 72 - 6364=13, 832/1.8=12...(17) H SER 107 - HG2 LYS 31 OK 36 100 - 35 - 10101/1.8=11, ~10112=5...(9) Peak 822 from cnoeabs.peaks (4.28, 1.44, 24.73 ppm; 3.88 A): 2 out of 14 assignments used, quality = 1.00: * HA LYS 31 + HG2 LYS 31 OK 100 100 - 100 - 3.8=100 HA LYS 26 + HG2 LYS 31 OK 45 73 - 62 - 833/1.8=7, 3.0/823=6...(31) HA LYS 36 - HG2 LYS 31 OK 36 99 - 36 - 833/1.8=5, 975/3.0=4...(15) HA LYS 19 - HG2 LYS 31 OK 33 57 - 57 - 3.0/6152=6, 3.0/823=6...(22) HA ALA 15 - HG2 LYS 31 OK 21 73 - 29 - ~10790=5, 3.0/831=5...(11) HA ALA 108 - HG2 LYS 31 lone 9 100 - 8 - 833/1.8=1 HA ALA 109 - HG2 LYS 31 lone 8 100 - 8 - 833/1.8=1, 2.1/826=1 HA LEU 22 - HG2 LYS 31 lone 7 100 - 6 - HA ARG 23 - HG2 LYS 31 poor 7 65 - 10 - 3.6/6223=6 HB THR 115 - HG2 LYS 31 lone 4 98 - 4 - HA ALA 110 - HG2 LYS 31 lone 3 81 - 4 - HA ALA 16 - HG2 LYS 31 lone 3 100 - 3 - HA GLN 61 - HG2 LYS 31 lone 2 96 - 2 - HA ALA 12 - HG2 LYS 31 lone 1 73 - 1 - Peak 823 from cnoeabs.peaks (1.74, 1.44, 24.73 ppm; 3.39 A): 4 out of 6 assignments used, quality = 1.00: * HB2 LYS 31 + HG2 LYS 31 OK 100 100 - 100 - 3.0=100 HB2 LYS 24 + HG2 LYS 31 OK 67 96 - 70 - 834/1.8=8, 1.8/824=7...(33) HB2 LYS 26 + HG2 LYS 31 OK 52 81 - 65 - 834/1.8=7, 1.8/824=5...(31) HB2 LYS 19 + HG2 LYS 31 OK 49 81 - 60 - 1.8/824=6, 3.0/275=6...(23) HB ILE 80 - HG2 LYS 31 lone 8 87 - 9 - 3.9/9709=4 HG13 ILE 129 - HG2 LYS 31 lone 5 100 - 5 - Peak 824 from cnoeabs.peaks (1.81, 1.44, 24.73 ppm; 3.17 A): 4 out of 9 assignments used, quality = 1.00: * HB3 LYS 31 + HG2 LYS 31 OK 100 100 - 100 - 3.0=100 HB3 LYS 24 + HG2 LYS 31 OK 65 99 - 65 - 1.8/823=8, 835/1.8=7...(25) HB3 LYS 19 + HG2 LYS 31 OK 56 100 - 56 - 835/1.8=6, 1.8/823=5...(21) HB3 LYS 26 + HG2 LYS 31 OK 49 81 - 60 - 1.8/823=6, 835/1.8=5...(25) HB ILE 32 - HG2 LYS 31 OK 43 87 - 50 - 900=7, 2.1/908=7...(20) HB2 LYS 36 - HG2 LYS 31 OK 26 92 - 28 - 835/1.8=3, 3.0/822=2...(9) HB2 ARG 84 - HG2 LYS 31 lone 2 98 - 2 - HB3 ARG 135 - HG2 LYS 31 lone 2 87 - 2 - HB3 LEU 123 - HG2 LYS 31 lone 1 61 - 1 - Peak 825 from cnoeabs.peaks (1.44, 1.44, 24.73 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 31 + HG2 LYS 31 OK 100 100 - 100 Peak 826 from cnoeabs.peaks (1.39, 1.44, 24.73 ppm; 2.50 A): 1 out of 10 assignments used, quality = 1.00: * HG3 LYS 31 + HG2 LYS 31 OK 100 100 - 100 - 1.8=100 HG3 LYS 26 - HG2 LYS 31 OK 25 65 - 38 - 3.0/823=3, 804/3.0=2...(16) HG2 LYS 95 - HG2 LYS 31 OK 11 98 - 11 - 804/3.0=1 HG3 LYS 95 - HG2 LYS 31 poor 9 92 - 10 - QB ALA 15 - HG2 LYS 31 poor 8 73 - 11 - 10790/3.0=2, 2.9/831=1, ~842=1 HG LEU 96 - HG2 LYS 31 lone 6 81 - 7 - ~3095=1, ~3103=1 QB ALA 109 - HG2 LYS 31 lone 4 99 - 4 - QB ALA 108 - HG2 LYS 31 lone 3 87 - 4 - QB ALA 28 - HG2 LYS 31 lone 1 81 - 1 - QB ALA 110 - HG2 LYS 31 lone 1 73 - 1 - Peak 827 from cnoeabs.peaks (1.66, 1.44, 24.73 ppm; 3.07 A): 6 out of 15 assignments used, quality = 1.00: * HD2 LYS 31 + HG2 LYS 31 OK 100 100 - 100 - 2.9=100 HD3 LYS 31 + HG2 LYS 31 OK 100 100 - 100 - 2.9=100 HD2 LYS 26 + HG2 LYS 31 OK 58 100 - 58 - 839/1.8=5, 2.9/826=4...(24) HD3 LYS 26 + HG2 LYS 31 OK 56 98 - 58 - 839/1.8=5, 2.9/826=4...(24) HD2 LYS 24 + HG2 LYS 31 OK 56 100 - 56 - 839/1.8=5, 3.5/823=4...(21) HD3 LYS 24 + HG2 LYS 31 OK 56 100 - 56 - 839/1.8=5, 3.5/823=4...(21) HD3 LYS 36 - HG2 LYS 31 OK 14 65 - 21 - 3.5/824=1, 5.3/822=1 HD2 LYS 36 - HG2 LYS 31 OK 14 65 - 21 - 3.5/824=1, 5.3/822=1 HD3 LYS 95 - HG2 LYS 31 OK 13 99 - 13 - 2.9/826=2, 2.9/826=2, 3025/1.8=1 HD2 LYS 95 - HG2 LYS 31 OK 10 81 - 13 - 2.9/826=2, 2.9/826=2 HD3 LYS 86 - HG2 LYS 31 lone 8 99 - 8 - HD2 LYS 86 - HG2 LYS 31 lone 8 99 - 8 - HB2 LEU 69 - HG2 LYS 31 lone 3 73 - 3 - QB ALA 88 - HG2 LYS 31 lone 1 100 - 1 - HB2 LEU 98 - HG2 LYS 31 lone 1 65 - 2 - Peak 828 from cnoeabs.peaks (1.66, 1.44, 24.73 ppm; 3.07 A): 6 out of 13 assignments used, quality = 1.00: * HD3 LYS 31 + HG2 LYS 31 OK 100 100 - 100 - 2.9=100 HD2 LYS 31 + HG2 LYS 31 OK 100 100 - 100 - 2.9=100 HD2 LYS 26 + HG2 LYS 31 OK 58 100 - 58 - 839/1.8=5, 2.9/826=4...(24) HD3 LYS 26 + HG2 LYS 31 OK 57 99 - 58 - 839/1.8=5, 2.9/826=4...(24) HD2 LYS 24 + HG2 LYS 31 OK 56 100 - 56 - 839/1.8=5, 3.5/823=4...(21) HD3 LYS 24 + HG2 LYS 31 OK 56 100 - 56 - 839/1.8=5, 3.5/823=4...(21) HD3 LYS 95 - HG2 LYS 31 OK 13 100 - 13 - 2.9/826=2, 2.9/826=2, 3025/1.8=1 HD2 LYS 95 - HG2 LYS 31 OK 11 87 - 13 - 2.9/826=2, 2.9/826=2 HD3 LYS 86 - HG2 LYS 31 lone 8 100 - 8 - HD2 LYS 86 - HG2 LYS 31 lone 8 100 - 8 - HB2 LEU 69 - HG2 LYS 31 lone 2 65 - 3 - HB2 LEU 98 - HG2 LYS 31 lone 2 73 - 2 - QB ALA 88 - HG2 LYS 31 lone 1 100 - 1 - Peak 829 from cnoeabs.peaks (2.96, 1.44, 24.73 ppm; 3.68 A): 6 out of 11 assignments used, quality = 1.00: * HE2 LYS 31 + HG2 LYS 31 OK 100 100 - 100 - 3.7=100 HE3 LYS 31 + HG2 LYS 31 OK 98 98 - 100 - 3.7=100 HE2 LYS 26 + HG2 LYS 31 OK 61 98 - 62 - 841/1.8=5, 3.6/826=5...(27) HE3 LYS 26 + HG2 LYS 31 OK 61 98 - 62 - 841/1.8=5, 3.6/826=5...(27) HE3 LYS 24 + HG2 LYS 31 OK 51 98 - 53 - 1.8/561=4, 3.0/828=4...(20) HE3 LYS 19 + HG2 LYS 31 OK 48 100 - 48 - 3.8/275=5, 841/1.8=3...(18) HE2 LYS 19 - HG2 LYS 31 OK 43 87 - 50 - 3.8/275=5, 2.9/308=3...(20) HE2 LYS 24 - HG2 LYS 31 OK 36 65 - 55 - 3.0/828=4, 3.0/828=4...(20) HE3 LYS 36 - HG2 LYS 31 OK 26 98 - 27 - 840/1.8=2, 1.8/561=2...(4) HE2 LYS 36 - HG2 LYS 31 OK 21 81 - 26 - 840/1.8=1, 6.0/822=1...(7) HE3 LYS 86 - HG2 LYS 31 lone 6 92 - 7 - Peak 830 from cnoeabs.peaks (2.97, 1.44, 24.73 ppm; 3.68 A): 6 out of 11 assignments used, quality = 1.00: * HE3 LYS 31 + HG2 LYS 31 OK 100 100 - 100 - 3.7=100 HE2 LYS 31 + HG2 LYS 31 OK 98 98 - 100 - 3.7=100 HE3 LYS 26 + HG2 LYS 31 OK 62 100 - 62 - 841/1.8=5, 3.6/826=5...(28) HE2 LYS 26 + HG2 LYS 31 OK 62 100 - 62 - 841/1.8=5, 3.6/826=5...(28) HE3 LYS 19 + HG2 LYS 31 OK 47 98 - 48 - 3.8/275=5, 841/1.8=4...(18) HE3 LYS 24 + HG2 LYS 31 OK 45 87 - 52 - 1.8/561=4, 3.0/828=4...(18) HE2 LYS 19 - HG2 LYS 31 OK 32 65 - 49 - 3.8/275=5, 2.9/297=3...(20) HE3 LYS 36 - HG2 LYS 31 OK 23 87 - 26 - 841/1.8=2, 1.8/561=2...(4) HE2 LYS 36 - HG2 LYS 31 OK 14 57 - 25 - 840/1.8=1, 6.0/822=1...(6) HE3 LYS 86 - HG2 LYS 31 lone 5 73 - 6 - HB3 ASN 121 - HG2 LYS 31 lone 1 81 - 2 - Peak 831 from cnoeabs.peaks (8.14, 1.44, 24.73 ppm; 5.45 A): 2 out of 5 assignments used, quality = 0.96: * H ILE 32 + HG2 LYS 31 OK 91 100 - 91 - 798/3.8=32, 6339/5.0=26...(17) H ALA 15 + HG2 LYS 31 OK 52 99 - 53 - 842/1.8=11, 809/3.0=9...(13) H ASP 71 - HG2 LYS 31 OK 20 98 - 21 - 842/1.8=4, 6339/5.0=3...(7) H VAL 133 - HG2 LYS 31 OK 19 92 - 20 - 4.2/11658=4, 842/1.8=3...(6) H LEU 22 - HG2 LYS 31 poor 10 73 - 13 - 842/1.8=2, 798/3.8=2...(5) Peak 832 from cnoeabs.peaks (8.23, 1.39, 24.73 ppm; 4.91 A): 2 out of 3 assignments used, quality = 1.00: * H LYS 31 + HG3 LYS 31 OK 100 100 - 100 - 5.0=97, 6330/3.8=25...(29) H SER 33 + HG3 LYS 31 OK 60 100 - 60 - 6364/1.8=13, 4.6/6346=12...(14) H SER 107 - HG3 LYS 31 OK 45 100 - 44 - 10101=12, 3.0/10112=7...(15) Peak 833 from cnoeabs.peaks (4.28, 1.39, 24.73 ppm; 3.55 A): 1 out of 14 assignments used, quality = 0.96: * HA LYS 31 + HG3 LYS 31 OK 96 100 - 96 - 3.8=81, 792/1.8=15...(26) HA LYS 26 - HG3 LYS 31 OK 40 73 - 55 - 3.0/834=5, 822/1.8=5...(26) HA LYS 36 - HG3 LYS 31 OK 30 99 - 30 - 822/1.8=4, 975/3.0=4...(11) HA LYS 19 - HG3 LYS 31 OK 27 57 - 47 - 3.0/835=5, 3.0/834=5...(18) HA ALA 15 - HG3 LYS 31 OK 17 73 - 24 - ~10790=4, 3.0/842=4...(8) HA ALA 108 - HG3 LYS 31 lone 8 100 - 8 - 822/1.8=1 HA ALA 109 - HG3 LYS 31 lone 8 100 - 7 - 3524=1 HA LEU 22 - HG3 LYS 31 lone 5 100 - 5 - HB THR 115 - HG3 LYS 31 lone 4 98 - 4 - 4.6/10229=2 HA ALA 110 - HG3 LYS 31 lone 3 81 - 3 - HA ARG 23 - HG3 LYS 31 lone 3 65 - 4 - HA ALA 16 - HG3 LYS 31 lone 2 100 - 2 - HA GLN 61 - HG3 LYS 31 lone 2 96 - 2 - HA ALA 12 - HG3 LYS 31 lone 1 73 - 1 - Peak 834 from cnoeabs.peaks (1.74, 1.39, 24.73 ppm; 3.52 A): 4 out of 6 assignments used, quality = 1.00: * HB2 LYS 31 + HG3 LYS 31 OK 100 100 - 100 - 3.0=100 HB2 LYS 24 + HG3 LYS 31 OK 68 96 - 72 - 823/1.8=9, 1.8/835=8...(36) HB2 LYS 26 + HG3 LYS 31 OK 55 81 - 69 - 823/1.8=7, 1.8/835=6...(34) HB2 LYS 19 + HG3 LYS 31 OK 47 81 - 59 - 1.8/835=7, 823/1.8=7...(23) HB ILE 80 - HG3 LYS 31 lone 5 87 - 6 - 823/1.8=1 HG13 ILE 129 - HG3 LYS 31 lone 5 100 - 5 - Peak 835 from cnoeabs.peaks (1.81, 1.39, 24.73 ppm; 3.11 A): 4 out of 9 assignments used, quality = 1.00: * HB3 LYS 31 + HG3 LYS 31 OK 100 100 - 100 - 3.0=100 HB3 LYS 24 + HG3 LYS 31 OK 62 99 - 62 - 1.8/834=7, 824/1.8=6...(21) HB3 LYS 19 + HG3 LYS 31 OK 53 100 - 53 - 815=6, 824/1.8=5...(20) HB3 LYS 26 + HG3 LYS 31 OK 48 81 - 60 - 1.8/834=6, 824/1.8=5...(25) HB ILE 32 - HG3 LYS 31 OK 36 87 - 41 - 4.0/6346=6, 900/1.8=5...(19) HB2 LYS 36 - HG3 LYS 31 OK 24 92 - 27 - 824/1.8=3, 3.0/833=2...(10) HB2 ARG 84 - HG3 LYS 31 lone 2 98 - 2 - HB3 ARG 135 - HG3 LYS 31 lone 1 87 - 2 - HB3 LEU 123 - HG3 LYS 31 lone 1 61 - 1 - Peak 836 from cnoeabs.peaks (1.44, 1.39, 24.73 ppm; 2.50 A): 1 out of 5 assignments used, quality = 1.00: * HG2 LYS 31 + HG3 LYS 31 OK 100 100 - 100 - 1.8=100 HG3 LYS 24 - HG3 LYS 31 OK 37 96 - 39 - 2.9/834=3, 2.9/835=3...(12) HG3 LYS 19 - HG3 LYS 31 OK 31 99 - 31 - ~275=3, 3.0/835=3...(11) HG2 LYS 26 - HG3 LYS 31 OK 27 65 - 42 - 3.0/834=3, 2.9/839=2...(18) HG13 ILE 32 - HG3 LYS 31 OK 23 98 - 24 - ~916=2, 921/3.0=2...(12) Peak 837 from cnoeabs.peaks (1.39, 1.39, 24.73 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 31 + HG3 LYS 31 OK 100 100 - 100 Peak 838 from cnoeabs.peaks (1.66, 1.39, 24.73 ppm; 2.63 A): 3 out of 15 assignments used, quality = 0.99: * HD2 LYS 31 + HG3 LYS 31 OK 87 100 - 87 - 2.9=72, 3.5/804=6...(22) HD3 LYS 31 + HG3 LYS 31 OK 87 100 - 87 - 2.9=72, 3.5/804=6...(22) HD2 LYS 26 + HG3 LYS 31 OK 46 100 - 46 - 848=3, 828/1.8=3...(16) HD3 LYS 26 - HG3 LYS 31 OK 45 98 - 46 - 828/1.8=3, 859=3...(16) HD2 LYS 24 - HG3 LYS 31 OK 44 100 - 44 - 3.0/836=4, 848=3...(12) HD3 LYS 24 - HG3 LYS 31 OK 44 100 - 44 - 3.0/836=4, 848=3...(12) HD3 LYS 36 - HG3 LYS 31 poor 10 65 - 15 - 3.5/835=1 HD2 LYS 36 - HG3 LYS 31 poor 10 65 - 15 - 3.5/835=1 HD3 LYS 95 - HG3 LYS 31 lone 9 99 - 9 - HD2 LYS 95 - HG3 LYS 31 lone 7 81 - 8 - HD3 LYS 86 - HG3 LYS 31 lone 6 99 - 6 - HD2 LYS 86 - HG3 LYS 31 lone 6 99 - 6 - HB2 LEU 69 - HG3 LYS 31 lone 2 73 - 2 - HB2 LEU 98 - HG3 LYS 31 lone 1 65 - 2 - QB ALA 88 - HG3 LYS 31 lone 1 100 - 1 - Peak 839 from cnoeabs.peaks (1.66, 1.39, 24.73 ppm; 2.63 A): 4 out of 13 assignments used, quality = 1.00: * HD3 LYS 31 + HG3 LYS 31 OK 87 100 - 87 - 2.9=72, 3.5/804=6...(22) HD2 LYS 31 + HG3 LYS 31 OK 87 100 - 87 - 2.9=72, 3.5/804=6...(22) HD2 LYS 26 + HG3 LYS 31 OK 46 100 - 46 - 848=3, 828/1.8=3...(16) HD3 LYS 26 + HG3 LYS 31 OK 45 99 - 46 - 828/1.8=3, 859=3...(16) HD2 LYS 24 - HG3 LYS 31 OK 44 100 - 44 - 3.0/836=4, 848=3...(12) HD3 LYS 24 - HG3 LYS 31 OK 44 100 - 44 - 3.0/836=4, 848=3...(12) HD3 LYS 95 - HG3 LYS 31 lone 9 100 - 9 - HD2 LYS 95 - HG3 LYS 31 lone 8 87 - 9 - HD3 LYS 86 - HG3 LYS 31 lone 6 100 - 6 - HD2 LYS 86 - HG3 LYS 31 lone 6 100 - 6 - HB2 LEU 69 - HG3 LYS 31 lone 1 65 - 2 - HB2 LEU 98 - HG3 LYS 31 lone 1 73 - 2 - QB ALA 88 - HG3 LYS 31 lone 1 100 - 1 - Peak 840 from cnoeabs.peaks (2.96, 1.39, 24.73 ppm; 3.43 A): 5 out of 11 assignments used, quality = 1.00: * HE2 LYS 31 + HG3 LYS 31 OK 95 100 - 95 - 3.7=81, 3.0/839=8...(43) HE3 LYS 31 + HG3 LYS 31 OK 94 98 - 95 - 3.7=81, 3.0/839=8...(44) HE2 LYS 26 + HG3 LYS 31 OK 57 98 - 58 - 881=4, 1.8/881=4...(24) HE3 LYS 26 + HG3 LYS 31 OK 57 98 - 58 - 881=4, 1.8/881=4...(24) HE3 LYS 24 + HG3 LYS 31 OK 46 98 - 47 - 4.0/836=4, 3.0/839=4...(15) HE3 LYS 19 - HG3 LYS 31 OK 41 100 - 41 - 3.8/836=4, 830/1.8=3...(14) HE2 LYS 19 - HG3 LYS 31 OK 36 87 - 42 - 3.8/836=4, 1.8/870=3...(11) HE2 LYS 24 - HG3 LYS 31 OK 32 65 - 50 - 4.0/836=4, 3.0/839=4...(14) HE3 LYS 36 - HG3 LYS 31 OK 24 98 - 24 - 829/1.8=2, 870=1...(5) HE2 LYS 36 - HG3 LYS 31 OK 19 81 - 23 - 829/1.8=1, 1.8/870=1...(5) HE3 LYS 86 - HG3 LYS 31 lone 5 92 - 6 - Peak 841 from cnoeabs.peaks (2.97, 1.39, 24.73 ppm; 3.43 A): 4 out of 11 assignments used, quality = 1.00: * HE3 LYS 31 + HG3 LYS 31 OK 95 100 - 95 - 3.7=81, 3.0/839=8...(44) HE2 LYS 31 + HG3 LYS 31 OK 93 98 - 95 - 3.7=81, 3.0/839=8...(43) HE3 LYS 26 + HG3 LYS 31 OK 58 100 - 58 - 881=4, 830/1.8=4...(24) HE2 LYS 26 + HG3 LYS 31 OK 58 100 - 58 - 881=4, 830/1.8=4...(24) HE3 LYS 19 - HG3 LYS 31 OK 41 98 - 42 - 3.8/836=4, 830/1.8=3...(14) HE3 LYS 24 - HG3 LYS 31 OK 41 87 - 47 - 4.0/836=4, 3.0/839=4...(15) HE2 LYS 19 - HG3 LYS 31 OK 27 65 - 41 - 3.8/836=4, 1.8/870=3...(11) HE3 LYS 36 - HG3 LYS 31 OK 20 87 - 23 - 830/1.8=2, 870=1...(5) HE2 LYS 36 - HG3 LYS 31 OK 13 57 - 22 - 1.8/870=1, 829/1.8=1...(5) HE3 LYS 86 - HG3 LYS 31 lone 4 73 - 5 - HB3 ASN 121 - HG3 LYS 31 lone 1 81 - 1 - Peak 842 from cnoeabs.peaks (8.14, 1.39, 24.73 ppm; 5.50 A): 2 out of 5 assignments used, quality = 0.95: * H ILE 32 + HG3 LYS 31 OK 89 100 - 89 - 798/3.8=32, 6339/5.0=26...(15) H ALA 15 + HG3 LYS 31 OK 52 99 - 52 - 831/1.8=11, 809/3.0=9...(13) H ASP 71 - HG3 LYS 31 OK 18 98 - 18 - 831/1.8=4, 6339/5.0=3...(5) H VAL 133 - HG3 LYS 31 OK 16 92 - 17 - 831/1.8=4, 809/3.0=3...(5) H LEU 22 - HG3 LYS 31 poor 9 73 - 12 - 831/1.8=2, 798/3.8=2...(5) Peak 843 from cnoeabs.peaks (8.23, 1.66, 28.90 ppm; 3.95 A): 8 out of 18 assignments used, quality = 1.00: * H LYS 31 + HD2 LYS 31 OK 84 100 - 84 - 6.2=26, 6331/3.5=18...(27) H LYS 31 + HD3 LYS 31 OK 84 99 - 84 - 6.2=26, 6331/3.5=18...(27) H LYS 31 + HD2 LYS 26 OK 53 99 - 53 - 6336=6, 6334/2.9=6...(23) H LYS 31 + HD2 LYS 24 OK 47 100 - 47 - 6331/3.5=7, 6333/3.0=6...(18) H LYS 31 + HD3 LYS 24 OK 47 99 - 47 - 6331/3.5=7, 6333/3.0=6...(18) H LYS 31 + HD3 LYS 26 OK 46 87 - 53 - 6336=6, 6334/2.9=6...(23) H SER 33 + HD2 LYS 31 OK 46 100 - 46 - 6364/2.9=9, 799/3.5=7...(14) H SER 33 + HD3 LYS 31 OK 45 99 - 46 - 6364/2.9=9, 799/3.5=7...(14) H SER 107 - HD2 LYS 31 OK 23 100 - 22 - 10101/2.9=6, 821/2.9=4...(7) H SER 107 - HD3 LYS 31 OK 22 99 - 22 - 10101/2.9=6, 821/2.9=4...(7) H SER 33 - HD2 LYS 26 OK 16 99 - 16 - 6364/2.9=3, 6361/3.5=2...(6) H SER 33 - HD2 LYS 24 OK 15 100 - 14 - 6364/3.0=2, 6361/3.5=2...(6) H SER 33 - HD3 LYS 24 OK 14 99 - 14 - 6364/3.0=2, 6361/3.5=2...(5) H SER 33 - HD3 LYS 26 OK 13 86 - 15 - 6364/2.9=3, 6361/3.5=2...(5) H SER 107 - HD2 LYS 24 lone 3 100 - 3 - H SER 107 - HD3 LYS 24 lone 3 99 - 3 - H SER 107 - HD2 LYS 26 lone 3 99 - 3 - H SER 107 - HD3 LYS 26 lone 2 86 - 2 - Peak 844 from cnoeabs.peaks (4.28, 1.66, 28.90 ppm; 3.10 A): 6 out of 84 assignments used, quality = 1.00: * HA LYS 31 + HD2 LYS 31 OK 78 100 - 78 - 5.2=21, 793/2.9=13...(30) HA LYS 31 + HD3 LYS 31 OK 77 99 - 78 - 5.2=21, 793/2.9=13...(30) HA LYS 31 + HD2 LYS 26 OK 52 99 - 52 - 795=6, 793/2.9=4...(19) HA LYS 26 + HD2 LYS 26 OK 51 71 - 72 - 5.0=24, 597/2.9=6...(32) HA LYS 31 + HD2 LYS 24 OK 50 100 - 50 - 795=6, 792/3.0=5...(14) HA LYS 31 + HD3 LYS 24 OK 50 99 - 50 - 795=6, 792/3.0=5...(13) HA LYS 31 - HD3 LYS 26 OK 45 87 - 52 - 795=6, 793/2.9=4...(20) HA LYS 26 - HD3 LYS 26 OK 41 57 - 72 - 5.0=24, 597/2.9=6...(31) HA LYS 26 - HD2 LYS 31 OK 36 73 - 49 - 833/2.9=3, 822/2.9=3...(21) HA LYS 26 - HD3 LYS 31 OK 35 71 - 49 - 833/2.9=3, 822/2.9=3...(21) HA LYS 26 - HD2 LYS 24 OK 33 73 - 46 - 2.9/6254=2, 598/3.0=2...(19) HA LYS 26 - HD3 LYS 24 OK 32 71 - 45 - 2.9/6254=2, 598/3.0=2...(19) HA LYS 36 - HD3 LYS 24 OK 26 98 - 26 - 977/3.0=4, 979/1.8=3...(6) HA LYS 36 - HD3 LYS 31 OK 24 98 - 25 - 833/2.9=3, 975/3.5=3...(7) HA LYS 36 - HD2 LYS 24 OK 23 99 - 24 - 977/3.0=4, 975/3.5=2...(4) HA LYS 36 - HD2 LYS 31 OK 22 99 - 22 - 833/2.9=3, 975/3.5=3...(5) HA LYS 19 - HD2 LYS 31 OK 21 57 - 36 - 833/2.9=2, 822/2.9=2...(14) HA LYS 19 - HD3 LYS 31 OK 20 56 - 36 - 833/2.9=2, 822/2.9=2...(14) HA LYS 19 - HD2 LYS 24 OK 19 57 - 34 - ~281=2, ~6152=2...(9) HA LYS 19 - HD3 LYS 24 OK 19 56 - 34 - ~281=2, ~6152=2...(9) HA LYS 19 - HD2 LYS 26 OK 18 56 - 33 - 627/2.9=3, 638/2.9=2...(10) HA LYS 36 - HD2 LYS 26 OK 13 98 - 14 - 977/2.9=3, 975/3.5=2, 627/2.9=1 HA LYS 19 - HD3 LYS 26 OK 13 44 - 30 - 627/2.9=3, 638/2.9=2...(8) HA LYS 36 - HD3 LYS 26 OK 11 85 - 14 - 977/2.9=3, 975/3.5=2, 627/2.9=1 HA ALA 15 - HD2 LYS 31 OK 11 73 - 15 - ~10790=2, ~842=2, ~831=2...(7) HA ALA 15 - HD3 LYS 31 OK 11 71 - 15 - ~10790=2, ~842=2, ~831=2...(7) HB THR 115 - HD2 LYS 24 lone 7 98 - 7 - 10191/3.0=3, ~10196=2 HB THR 115 - HD3 LYS 24 lone 7 97 - 7 - 10191/3.0=3, ~10196=2 HB THR 115 - HD2 LYS 26 lone 6 97 - 7 - 11521/5.7=2, 10191/2.9=2 HA ARG 23 - HD2 LYS 26 lone 6 64 - 9 - 419/3.5=2, 418/3.5=2, 424/5.7=1 HB THR 115 - HD3 LYS 26 lone 5 83 - 7 - 11521/5.7=2, 10191/2.9=2 HA ARG 23 - HD3 LYS 26 lone 5 50 - 9 - 419/3.5=2, 418/3.5=2, 424/5.7=1 HA ALA 108 - HD2 LYS 31 lone 4 100 - 4 - HA ALA 109 - HD2 LYS 31 lone 4 100 - 4 - HA ALA 108 - HD3 LYS 31 lone 4 99 - 4 - HA ARG 23 - HD2 LYS 24 lone 4 65 - 7 - 6212/5.9=2, 418/3.5=1 HA ALA 109 - HD3 LYS 31 lone 4 99 - 4 - HA ARG 23 - HD3 LYS 24 lone 4 64 - 7 - 6212/5.9=2, 418/3.5=1 HA LEU 22 - HD2 LYS 31 lone 3 100 - 3 - HA LEU 22 - HD3 LYS 31 lone 3 99 - 3 - HB THR 115 - HD2 LYS 31 lone 2 98 - 2 - HA ARG 23 - HD2 LYS 31 lone 2 65 - 3 - HB THR 115 - HD3 LYS 31 lone 2 97 - 2 - HA ARG 23 - HD3 LYS 31 lone 2 64 - 3 - HA ALA 110 - HD2 LYS 31 lone 2 81 - 2 - HA ALA 110 - HD3 LYS 31 lone 2 79 - 2 - HA LEU 22 - HD2 LYS 24 lone 1 100 - 1 - HA LEU 22 - HD3 LYS 24 lone 1 99 - 1 - HA ALA 16 - HD2 LYS 31 lone 1 100 - 1 - HA ALA 16 - HD3 LYS 31 lone 1 99 - 1 - HA ALA 108 - HD2 LYS 26 lone 1 99 - 1 - HA ALA 15 - HD2 LYS 24 lone 1 73 - 2 - HA ALA 15 - HD3 LYS 24 lone 1 71 - 2 - HA GLN 61 - HD2 LYS 31 lone 1 96 - 1 - HA LEU 22 - HD2 LYS 26 lone 1 99 - 1 - HA GLN 61 - HD3 LYS 31 lone 1 94 - 1 - HA ALA 108 - HD3 LYS 26 lone 1 87 - 1 - HA ALA 109 - HD2 LYS 26 lone 1 99 - 1 - HA ALA 108 - HD2 LYS 24 lone 1 100 - 1 - HA ALA 108 - HD3 LYS 24 lone 1 99 - 1 - HA LEU 22 - HD3 LYS 26 lone 1 87 - 1 - HA ALA 109 - HD3 LYS 26 lone 1 87 - 1 - HA ALA 109 - HD2 LYS 24 lone 1 100 - 1 - HA ALA 15 - HD2 LYS 26 lone 1 71 - 1 - HA ALA 109 - HD3 LYS 24 lone 1 99 - 1 - HA ALA 16 - HD2 LYS 26 lone 1 99 - 1 - HA GLN 61 - HD2 LYS 24 lone 1 96 - 1 - HA ALA 15 - HD3 LYS 26 lone 1 57 - 1 - HA GLN 61 - HD3 LYS 24 lone 1 94 - 1 - HA ALA 16 - HD3 LYS 26 lone 1 86 - 1 - HA ALA 110 - HD2 LYS 24 lone 1 81 - 1 - HA ALA 16 - HD2 LYS 24 lone 1 100 - 1 - HA ALA 110 - HD3 LYS 24 lone 1 79 - 1 - HA ALA 16 - HD3 LYS 24 lone 1 99 - 1 - HA ALA 110 - HD2 LYS 26 lone 1 79 - 1 - HA GLN 61 - HD2 LYS 26 lone 0 94 - 1 - HA ALA 12 - HD2 LYS 31 lone 0 73 - 1 - HA ALA 110 - HD3 LYS 26 lone 0 64 - 1 - HA ALA 12 - HD3 LYS 31 lone 0 71 - 1 - HA ALA 12 - HD2 LYS 24 lone 0 73 - 1 - HA GLN 61 - HD3 LYS 26 lone 0 79 - 1 - HA ALA 12 - HD3 LYS 24 lone 0 71 - 1 - HA ALA 12 - HD2 LYS 26 lone 0 71 - 0 - HA ALA 12 - HD3 LYS 26 lone 0 57 - 0 - Peak 845 from cnoeabs.peaks (1.74, 1.66, 28.90 ppm; 3.09 A): 15 out of 36 assignments used, quality = 1.00: * HB2 LYS 31 + HD2 LYS 31 OK 93 100 - 93 - 3.5=70, 804/2.9=11...(49) HB2 LYS 31 + HD3 LYS 31 OK 93 99 - 93 - 3.5=70, 804/2.9=11...(51) HB2 LYS 24 + HD2 LYS 24 OK 87 96 - 91 - 3.5=67, 3.0/486=5...(52) HB2 LYS 24 + HD3 LYS 24 OK 86 94 - 91 - 3.5=67, 3.0/486=5...(51) HB2 LYS 26 + HD2 LYS 26 OK 72 79 - 91 - 3.5=69, ~619=6...(48) HB2 LYS 31 + HD2 LYS 26 OK 62 99 - 62 - 806=4, 804/2.9=4...(29) HB2 LYS 24 + HD2 LYS 31 OK 61 96 - 64 - 823/2.9=5, 834/2.9=5...(31) HB2 LYS 24 + HD3 LYS 31 OK 60 94 - 64 - 823/2.9=5, 834/2.9=5...(31) HB2 LYS 31 + HD3 LYS 24 OK 60 99 - 60 - 806=4, 803/3.0=4...(26) HB2 LYS 31 + HD2 LYS 24 OK 60 100 - 60 - 806=4, 803/3.0=4...(26) HB2 LYS 26 + HD3 LYS 26 OK 58 64 - 91 - 3.5=69, ~619=6...(49) HB2 LYS 24 + HD2 LYS 26 OK 54 94 - 58 - 628/2.9=4, 3.0/486=3...(28) HB2 LYS 31 + HD3 LYS 26 OK 53 87 - 62 - 806=4, 804/2.9=4...(27) HB2 LYS 26 + HD2 LYS 31 OK 51 81 - 64 - 834/2.9=4, 823/2.9=4...(30) HB2 LYS 26 + HD3 LYS 31 OK 50 79 - 64 - 834/2.9=4, 823/2.9=4...(29) HB2 LYS 24 - HD3 LYS 26 OK 45 79 - 57 - 628/2.9=4, 3.0/486=3...(26) HB2 LYS 26 - HD2 LYS 24 OK 44 81 - 55 - 1.8/621=3, 3.0/632=3...(27) HB2 LYS 26 - HD3 LYS 24 OK 43 79 - 55 - 1.8/621=3, 3.0/632=3...(27) HB2 LYS 19 - HD2 LYS 31 OK 41 81 - 50 - 823/2.9=4, 834/2.9=4...(15) HB2 LYS 19 - HD3 LYS 31 OK 40 79 - 51 - 823/2.9=4, 834/2.9=4...(15) HB2 LYS 19 - HD2 LYS 24 OK 39 81 - 48 - 514/3.0=3, 525/3.0=2...(20) HB2 LYS 19 - HD3 LYS 24 OK 38 79 - 49 - 514/3.0=3, 525/3.0=2...(20) HB2 LYS 19 - HD2 LYS 26 OK 34 79 - 43 - 628/2.9=3, 639/2.9=2...(16) HB2 LYS 19 - HD3 LYS 26 OK 25 64 - 39 - 628/2.9=3, 639/2.9=2...(11) HG13 ILE 129 - HD2 LYS 26 lone 8 99 - 8 - ~10483=2, ~10491=2, ~10481=1 HG13 ILE 129 - HD3 LYS 26 lone 7 86 - 8 - ~10483=2, ~10491=2, ~10481=1 HB ILE 80 - HD2 LYS 31 lone 5 87 - 5 - HB ILE 80 - HD3 LYS 31 lone 5 85 - 5 - HG13 ILE 129 - HD2 LYS 31 lone 3 100 - 3 - HG13 ILE 129 - HD3 LYS 31 lone 3 99 - 3 - HB ILE 80 - HD2 LYS 26 lone 2 85 - 2 - HG13 ILE 129 - HD2 LYS 24 lone 1 100 - 1 - HB ILE 80 - HD3 LYS 26 lone 1 70 - 2 - HG13 ILE 129 - HD3 LYS 24 lone 1 99 - 1 - HB ILE 80 - HD2 LYS 24 lone 1 87 - 1 - HB ILE 80 - HD3 LYS 24 lone 1 85 - 1 - Peak 846 from cnoeabs.peaks (1.81, 1.66, 28.90 ppm; 2.80 A): 12 out of 54 assignments used, quality = 1.00: * HB3 LYS 31 + HD2 LYS 31 OK 84 100 - 84 - 3.5=51, 815/2.9=7...(32) HB3 LYS 31 + HD3 LYS 31 OK 83 99 - 84 - 3.5=51, 815/2.9=7...(32) HB3 LYS 24 + HD2 LYS 24 OK 81 99 - 81 - 3.5=50, 515/3.0=4...(40) HB3 LYS 24 + HD3 LYS 24 OK 80 98 - 81 - 3.5=50, 515/3.0=4...(40) HB3 LYS 26 + HD2 LYS 26 OK 65 79 - 82 - 3.5=51, 619/2.9=7...(34) HB3 LYS 24 + HD2 LYS 31 OK 55 99 - 55 - 835/2.9=4, 824/2.9=4...(18) HB3 LYS 24 + HD3 LYS 31 OK 54 98 - 55 - 835/2.9=4, 824/2.9=4...(18) HB3 LYS 26 + HD3 LYS 26 OK 52 64 - 81 - 3.5=51, 619/2.9=7...(32) HB3 LYS 31 + HD2 LYS 26 OK 51 99 - 52 - 3.0/839=3, 1.8/806=3...(21) HB3 LYS 31 + HD2 LYS 24 OK 49 100 - 49 - 3.0/839=3, 1.8/806=2...(23) HB3 LYS 24 + HD2 LYS 26 OK 49 98 - 50 - 3.0/486=3, 505/2.9=2...(21) HB3 LYS 31 + HD3 LYS 24 OK 48 99 - 49 - 3.0/839=3, 1.8/806=2...(23) HB3 LYS 31 - HD3 LYS 26 OK 45 87 - 52 - 3.0/839=3, 817=3...(21) HB3 LYS 26 - HD2 LYS 31 OK 45 81 - 56 - 621=3, 3.0/632=3...(14) HB3 LYS 26 - HD3 LYS 31 OK 43 79 - 55 - 621=3, 3.0/632=3...(14) HB3 LYS 19 - HD2 LYS 31 OK 43 100 - 43 - 835/2.9=3, 824/2.9=3...(12) HB3 LYS 19 - HD3 LYS 31 OK 43 99 - 43 - 835/2.9=3, 824/2.9=3...(12) HB3 LYS 24 - HD3 LYS 26 OK 41 85 - 49 - 3.0/486=3, 505/2.9=2...(21) HB3 LYS 19 - HD2 LYS 24 OK 41 100 - 41 - 515/3.0=2, 817=2...(15) HB3 LYS 19 - HD3 LYS 24 OK 40 99 - 41 - 515/3.0=2, 817=2...(15) HB3 LYS 26 - HD2 LYS 24 OK 38 81 - 48 - 621=3, 3.0/632=2...(16) HB3 LYS 19 - HD2 LYS 26 OK 37 99 - 38 - 817=2, ~628=2, 266/1.8=2...(12) HB3 LYS 26 - HD3 LYS 24 OK 37 79 - 47 - 621=3, 3.0/632=2...(16) HB3 LYS 19 - HD3 LYS 26 OK 29 87 - 34 - ~628=2, 817=2, 815/2.9=2...(11) HB ILE 32 - HD2 LYS 31 OK 28 87 - 32 - 900/2.9=3, 835/2.9=2...(13) HB ILE 32 - HD3 LYS 31 OK 27 85 - 32 - 900/2.9=3, 835/2.9=2...(13) HB2 LYS 36 - HD3 LYS 24 OK 25 90 - 28 - 988/3.0=2, ~999=2...(8) HB2 LYS 36 - HD2 LYS 24 OK 22 92 - 24 - 988/3.0=2, ~999=2...(6) HB2 LYS 36 - HD3 LYS 31 OK 21 90 - 24 - 835/2.9=1, 824/2.9=1...(5) HB2 LYS 36 - HD2 LYS 31 OK 19 92 - 20 - 835/2.9=1, 824/2.9=1 HB ILE 32 - HD2 LYS 26 OK 15 85 - 17 - 900/2.9=2, ~10840=1...(6) HB ILE 32 - HD3 LYS 26 OK 12 70 - 17 - 900/2.9=2, ~10840=1...(6) HB ILE 32 - HD2 LYS 24 OK 10 87 - 12 - 900/3.0=1 HB2 LYS 36 - HD2 LYS 26 poor 10 90 - 11 - 988/2.9=2, ~999=1 HB ILE 32 - HD3 LYS 24 poor 10 85 - 11 - 900/3.0=1 HB2 LYS 36 - HD3 LYS 26 poor 8 75 - 11 - 988/2.9=2, ~999=1 HB3 LEU 123 - HD2 LYS 26 lone 5 59 - 8 - ~10756=3, ~11421=1 HB3 LEU 123 - HD3 LYS 26 lone 3 47 - 7 - ~10756=3, ~11421=1 HB3 LEU 123 - HD2 LYS 24 lone 1 61 - 2 - HB2 ARG 84 - HD2 LYS 31 lone 1 98 - 1 - HB2 ARG 84 - HD3 LYS 31 lone 1 97 - 1 - HB3 LEU 123 - HD3 LYS 24 lone 1 59 - 2 - HB3 ARG 135 - HD2 LYS 31 lone 1 87 - 1 - HB3 ARG 135 - HD3 LYS 31 lone 1 85 - 1 - HB3 LEU 123 - HD2 LYS 31 lone 1 61 - 1 - HB3 ARG 135 - HD2 LYS 24 lone 0 87 - 1 - HB3 LEU 123 - HD3 LYS 31 lone 0 59 - 1 - HB3 ARG 135 - HD3 LYS 24 lone 0 85 - 1 - HB3 ARG 135 - HD2 LYS 26 lone 0 85 - 1 - HB2 ARG 84 - HD2 LYS 24 lone 0 98 - 0 - HB2 ARG 84 - HD3 LYS 24 lone 0 97 - 0 - HB3 ARG 135 - HD3 LYS 26 lone 0 70 - 1 - HB2 ARG 84 - HD2 LYS 26 lone 0 97 - 0 - HB2 ARG 84 - HD3 LYS 26 lone 0 83 - 0 - Peak 847 from cnoeabs.peaks (1.44, 1.66, 28.90 ppm; 2.50 A): 5 out of 30 assignments used, quality = 1.00: * HG2 LYS 31 + HD2 LYS 31 OK 80 100 - 80 - 2.9=61, 1.8/839=6...(18) HG2 LYS 31 + HD3 LYS 31 OK 79 99 - 80 - 2.9=61, 1.8/839=6...(18) HG3 LYS 24 + HD2 LYS 24 OK 77 96 - 80 - 3.0=60, 1.8/519=4...(17) HG3 LYS 24 + HD3 LYS 24 OK 75 94 - 80 - 3.0=60, 1.8/519=4...(17) HG2 LYS 26 + HD2 LYS 26 OK 52 64 - 82 - 2.9=65, 1.8/643=4...(25) HG2 LYS 26 - HD3 LYS 26 OK 41 50 - 82 - 2.9=65, 1.8/643=4...(28) HG2 LYS 31 - HD2 LYS 26 OK 41 99 - 42 - 1.8/839=3, 828=3...(12) HG3 LYS 24 - HD2 LYS 31 OK 40 96 - 42 - 836/2.9=3, 530=3...(10) HG2 LYS 31 - HD2 LYS 24 OK 40 100 - 40 - 1.8/839=3, 828=3...(14) HG2 LYS 31 - HD3 LYS 24 OK 39 99 - 40 - 1.8/839=3, 828=3...(14) HG3 LYS 24 - HD3 LYS 31 OK 39 94 - 42 - 836/2.9=3, 530=3...(10) HG2 LYS 31 - HD3 LYS 26 OK 36 87 - 41 - 1.8/839=3, 828=3...(12) HG3 LYS 24 - HD2 LYS 26 OK 35 94 - 37 - 527/2.9=3, 530=3...(8) HG3 LYS 19 - HD2 LYS 24 OK 33 99 - 34 - 517/3.0=3, ~285=2, 530=2...(10) HG3 LYS 19 - HD3 LYS 24 OK 33 98 - 34 - 517/3.0=3, ~285=2, 530=2...(10) HG3 LYS 19 - HD2 LYS 31 OK 31 99 - 32 - 836/2.9=3, 530=2...(7) HG3 LYS 19 - HD3 LYS 31 OK 31 98 - 31 - 836/2.9=3, 530=2...(7) HG3 LYS 24 - HD3 LYS 26 OK 29 79 - 37 - 527/2.9=3, 530=3...(9) HG2 LYS 26 - HD2 LYS 31 OK 28 65 - 43 - 836/2.9=2, 1.8/643=2...(9) HG2 LYS 26 - HD3 LYS 31 OK 27 64 - 43 - 836/2.9=2, 1.8/643=2...(8) HG3 LYS 19 - HD2 LYS 26 OK 25 98 - 25 - 527/2.9=2, 530=2...(6) HG13 ILE 32 - HD2 LYS 31 OK 23 98 - 23 - 836/2.9=2, 921/3.5=2...(8) HG13 ILE 32 - HD3 LYS 31 OK 22 97 - 23 - 836/2.9=2, 921/3.5=2...(8) HG2 LYS 26 - HD2 LYS 24 OK 22 65 - 33 - 1.8/643=2, 632=2...(8) HG2 LYS 26 - HD3 LYS 24 OK 21 64 - 33 - 1.8/643=2, 632=2...(8) HG3 LYS 19 - HD3 LYS 26 OK 19 85 - 22 - 527/2.9=2, 530=1...(4) HG13 ILE 32 - HD2 LYS 26 OK 13 97 - 13 - 921/3.5=2 HG13 ILE 32 - HD3 LYS 26 OK 10 83 - 13 - 921/3.5=2 HG13 ILE 32 - HD2 LYS 24 lone 9 98 - 9 - HG13 ILE 32 - HD3 LYS 24 lone 8 97 - 9 - Peak 848 from cnoeabs.peaks (1.39, 1.66, 28.90 ppm; 2.57 A): 4 out of 60 assignments used, quality = 0.99: * HG3 LYS 31 + HD2 LYS 31 OK 85 100 - 85 - 2.9=67, 839/1.8=7...(21) HG3 LYS 31 + HD3 LYS 31 OK 84 99 - 85 - 2.9=67, 839/1.8=7...(21) HG3 LYS 26 + HD2 LYS 26 OK 55 64 - 86 - 2.9=71, 1.8/632=6...(24) HG3 LYS 31 + HD2 LYS 26 OK 45 99 - 46 - 839=6, 839/1.8=4...(15) HG3 LYS 31 - HD2 LYS 24 OK 44 100 - 44 - 839=5, 836/3.0=3...(12) HG3 LYS 31 - HD3 LYS 24 OK 43 99 - 44 - 839=5, 836/3.0=3...(12) HG3 LYS 26 - HD3 LYS 26 OK 43 50 - 86 - 2.9=71, 1.8/632=6...(24) HG3 LYS 31 - HD3 LYS 26 OK 39 87 - 46 - 839=5, 839/1.8=4...(15) HG3 LYS 26 - HD2 LYS 31 OK 30 65 - 46 - 1.8/632=4, 826/2.9=3...(17) HG3 LYS 26 - HD3 LYS 31 OK 29 64 - 45 - 1.8/632=4, 826/2.9=3...(17) HG3 LYS 26 - HD2 LYS 24 OK 22 65 - 34 - 1.8/632=3, ~631=2...(8) HG3 LYS 26 - HD3 LYS 24 OK 22 64 - 34 - 1.8/632=3, ~631=2...(7) HG2 LYS 95 - HD2 LYS 31 OK 14 98 - 14 - 826/2.9=1, 2995=1 HG2 LYS 95 - HD3 LYS 31 OK 14 97 - 14 - 826/2.9=1, 2995=1 HG3 LYS 95 - HD2 LYS 31 OK 13 92 - 14 - 826/2.9=1, 2995=1 HG3 LYS 95 - HD3 LYS 31 OK 13 90 - 14 - 826/2.9=1, 2995=1 HG LEU 96 - HD2 LYS 31 lone 7 81 - 9 - 2.1/11694=2, ~11694=1 HG LEU 96 - HD3 LYS 31 lone 7 79 - 9 - 2.1/11694=2, ~11694=1 QB ALA 15 - HD2 LYS 31 lone 7 73 - 9 - 10790/3.5=1 QB ALA 15 - HD3 LYS 31 lone 6 71 - 9 - 10790/3.5=1 HG2 LYS 95 - HD2 LYS 26 lone 6 97 - 6 - HG3 LYS 95 - HD2 LYS 26 lone 5 90 - 6 - HG2 LYS 95 - HD2 LYS 24 lone 5 98 - 5 - HG2 LYS 95 - HD3 LYS 26 lone 5 83 - 6 - HG2 LYS 95 - HD3 LYS 24 lone 5 97 - 5 - HG3 LYS 95 - HD2 LYS 24 lone 4 92 - 5 - HG3 LYS 95 - HD3 LYS 26 lone 4 75 - 6 - HG3 LYS 95 - HD3 LYS 24 lone 4 90 - 5 - QB ALA 109 - HD2 LYS 31 lone 3 99 - 3 - QB ALA 109 - HD3 LYS 31 lone 3 98 - 3 - HG LEU 96 - HD2 LYS 24 lone 3 81 - 3 - HG LEU 96 - HD3 LYS 24 lone 3 79 - 3 - QB ALA 108 - HD2 LYS 31 lone 3 87 - 3 - QB ALA 108 - HD3 LYS 31 lone 3 85 - 3 - HG LEU 96 - HD2 LYS 26 lone 2 79 - 3 - HG LEU 96 - HD3 LYS 26 lone 2 64 - 3 - QB ALA 28 - HD3 LYS 31 lone 1 79 - 2 - QB ALA 28 - HD2 LYS 31 lone 1 81 - 2 - QB ALA 28 - HD3 LYS 26 lone 1 64 - 2 - QB ALA 28 - HD2 LYS 26 lone 1 79 - 1 - QB ALA 110 - HD2 LYS 31 lone 1 73 - 1 - QB ALA 110 - HD3 LYS 31 lone 1 71 - 1 - QB ALA 109 - HD2 LYS 26 lone 1 98 - 1 - QB ALA 28 - HD3 LYS 24 lone 1 79 - 1 - QB ALA 28 - HD2 LYS 24 lone 1 81 - 1 - QB ALA 108 - HD2 LYS 26 lone 1 85 - 1 - QB ALA 15 - HD2 LYS 24 lone 1 73 - 1 - QB ALA 15 - HD3 LYS 24 lone 1 71 - 1 - QB ALA 109 - HD3 LYS 26 lone 1 85 - 1 - QB ALA 15 - HD2 LYS 26 lone 1 71 - 1 - QB ALA 109 - HD2 LYS 24 lone 1 99 - 1 - QB ALA 109 - HD3 LYS 24 lone 1 98 - 1 - QB ALA 108 - HD3 LYS 26 lone 1 70 - 1 - QB ALA 108 - HD2 LYS 24 lone 1 87 - 1 - QB ALA 108 - HD3 LYS 24 lone 0 85 - 1 - QB ALA 15 - HD3 LYS 26 lone 1 57 - 1 - QB ALA 110 - HD2 LYS 26 lone 0 71 - 0 - QB ALA 110 - HD2 LYS 24 lone 0 73 - 0 - QB ALA 110 - HD3 LYS 24 lone 0 71 - 0 - QB ALA 110 - HD3 LYS 26 lone 0 57 - 0 - Peak 849 from cnoeabs.peaks (1.66, 1.66, 28.90 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: * HD2 LYS 31 + HD2 LYS 31 OK 100 100 - 100 HD2 LYS 24 + HD2 LYS 24 OK 100 100 - 100 HD3 LYS 31 + HD3 LYS 31 OK 99 99 - 100 HD3 LYS 24 + HD3 LYS 24 OK 99 99 - 100 HD2 LYS 26 + HD2 LYS 26 OK 99 99 - 100 HD3 LYS 26 + HD3 LYS 26 OK 83 83 - 100 Peak 850 from cnoeabs.peaks (1.66, 1.66, 28.90 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: HD2 LYS 31 + HD2 LYS 31 OK 100 100 - 100 HD2 LYS 24 + HD2 LYS 24 OK 100 100 - 100 HD3 LYS 31 + HD3 LYS 31 OK 99 99 - 100 HD3 LYS 24 + HD3 LYS 24 OK 99 99 - 100 HD2 LYS 26 + HD2 LYS 26 OK 99 99 - 100 HD3 LYS 26 + HD3 LYS 26 OK 85 85 - 100 Reference assignment not found: HD3 LYS 31 - HD2 LYS 31 Peak 851 from cnoeabs.peaks (2.96, 1.66, 28.90 ppm; 2.50 A): 12 out of 66 assignments used, quality = 1.00: * HE2 LYS 31 + HD2 LYS 31 OK 74 100 - 74 - 3.0=58, 3.7/839=3...(15) HE2 LYS 31 + HD3 LYS 31 OK 74 99 - 74 - 3.0=58, 3.7/839=3...(15) HE3 LYS 31 + HD2 LYS 31 OK 73 98 - 75 - 3.0=58, 3.7/839=3...(13) HE3 LYS 31 + HD3 LYS 31 OK 73 97 - 75 - 3.0=58, 3.7/839=3...(14) HE2 LYS 26 + HD2 LYS 26 OK 71 97 - 73 - 3.0=58, 635/2.9=3...(17) HE3 LYS 26 + HD2 LYS 26 OK 71 97 - 73 - 3.0=58, 635/2.9=3...(17) HE3 LYS 24 + HD2 LYS 24 OK 69 98 - 71 - 3.0=59, 1.8/563=4...(10) HE3 LYS 24 + HD3 LYS 24 OK 69 97 - 72 - 3.0=59, 1.8/563=4...(12) HE2 LYS 26 + HD3 LYS 26 OK 60 83 - 72 - 3.0=58, 635/2.9=3...(16) HE3 LYS 26 + HD3 LYS 26 OK 60 83 - 72 - 3.0=58, 635/2.9=3...(16) HE2 LYS 24 + HD2 LYS 24 OK 46 65 - 70 - 3.0=59, 1.8/574=2...(7) HE2 LYS 24 + HD3 LYS 24 OK 45 64 - 71 - 3.0=59, 1.8/574=2...(9) HE3 LYS 26 - HD2 LYS 31 OK 27 98 - 28 - 3.6/632=2, 841/2.9=2...(5) HE2 LYS 26 - HD2 LYS 31 OK 27 98 - 28 - 3.6/632=2, 841/2.9=2...(5) HE3 LYS 26 - HD3 LYS 31 OK 26 97 - 27 - 3.6/632=2, 841/2.9=2...(5) HE2 LYS 26 - HD3 LYS 31 OK 26 97 - 27 - 3.6/632=2, 841/2.9=2...(5) HE3 LYS 31 - HD2 LYS 26 OK 23 97 - 23 - 634/2.9=2, 3.7/839=2...(5) HE2 LYS 31 - HD2 LYS 26 OK 22 99 - 22 - 634/2.9=2, 3.7/839=2...(4) HE3 LYS 24 - HD3 LYS 31 OK 20 97 - 21 - 840/2.9=1, 1.8/563=1, 829/2.9=1 HE3 LYS 24 - HD2 LYS 31 OK 20 98 - 20 - 840/2.9=1, 1.8/563=1, 829/2.9=1 HE3 LYS 31 - HD3 LYS 26 OK 19 83 - 23 - 634/2.9=2, 3.7/839=2...(5) HE2 LYS 31 - HD3 LYS 26 OK 19 87 - 22 - 635/2.9=2, 3.7/839=2...(4) HE3 LYS 19 - HD3 LYS 31 OK 18 99 - 18 - 841/2.9=1, 830/2.9=1 HE3 LYS 31 - HD2 LYS 24 OK 17 98 - 18 - 3.7/839=1, 3.7/828=1 HE3 LYS 19 - HD2 LYS 31 OK 17 100 - 17 - 841/2.9=1, 830/2.9=1 HE3 LYS 19 - HD3 LYS 24 OK 17 99 - 17 - HE3 LYS 31 - HD3 LYS 24 OK 17 97 - 18 - 3.7/839=1, 3.7/828=1 HE3 LYS 19 - HD2 LYS 24 OK 16 100 - 17 - HE2 LYS 31 - HD2 LYS 24 OK 16 100 - 16 - 3.7/839=1, 3.7/828=1 HE2 LYS 31 - HD3 LYS 24 OK 16 99 - 16 - 3.7/839=1, 3.7/828=1 HE2 LYS 19 - HD2 LYS 31 OK 16 87 - 18 - HE2 LYS 19 - HD3 LYS 31 OK 16 85 - 19 - HE2 LYS 26 - HD2 LYS 24 OK 14 98 - 14 - 3.6/632=1 HE3 LYS 26 - HD2 LYS 24 OK 14 98 - 14 - 3.6/632=1 HE2 LYS 19 - HD2 LYS 24 OK 14 87 - 16 - HE2 LYS 19 - HD3 LYS 24 OK 14 85 - 16 - HE2 LYS 26 - HD3 LYS 24 OK 14 97 - 14 - 3.6/632=1 HE3 LYS 26 - HD3 LYS 24 OK 14 97 - 14 - 3.6/632=1 HE3 LYS 24 - HD2 LYS 26 OK 14 97 - 14 - 635/2.9=1 HE2 LYS 24 - HD3 LYS 31 OK 13 64 - 21 - HE2 LYS 24 - HD2 LYS 31 OK 13 65 - 20 - HE3 LYS 19 - HD2 LYS 26 OK 11 99 - 12 - 635/2.9=1 HE3 LYS 24 - HD3 LYS 26 OK 11 83 - 14 - 634/2.9=1 HE3 LYS 36 - HD2 LYS 24 OK 11 98 - 11 - HE3 LYS 36 - HD3 LYS 24 OK 10 97 - 11 - HE2 LYS 19 - HD2 LYS 26 OK 10 85 - 12 - HE3 LYS 36 - HD3 LYS 31 lone 10 97 - 10 - HE3 LYS 36 - HD2 LYS 31 lone 10 98 - 10 - HE3 LYS 19 - HD3 LYS 26 poor 9 87 - 11 - 634/2.9=1 HE2 LYS 24 - HD2 LYS 26 poor 9 64 - 14 - HE3 LYS 86 - HD2 LYS 24 lone 8 92 - 9 - 1.8/2698=1 HE2 LYS 36 - HD2 LYS 24 lone 8 81 - 10 - HE3 LYS 86 - HD3 LYS 24 lone 8 90 - 9 - 1.8/2698=1 HE2 LYS 19 - HD3 LYS 26 poor 8 70 - 11 - HE2 LYS 36 - HD3 LYS 24 lone 8 79 - 10 - HE2 LYS 36 - HD2 LYS 31 lone 7 81 - 9 - HE2 LYS 36 - HD3 LYS 31 lone 7 79 - 9 - HE2 LYS 24 - HD3 LYS 26 poor 7 50 - 13 - HE3 LYS 86 - HD2 LYS 31 lone 6 92 - 6 - HE3 LYS 86 - HD3 LYS 31 lone 6 90 - 6 - HE3 LYS 36 - HD2 LYS 26 lone 6 97 - 6 - HE3 LYS 36 - HD3 LYS 26 lone 4 83 - 5 - HE2 LYS 36 - HD2 LYS 26 lone 4 79 - 5 - HE3 LYS 86 - HD2 LYS 26 lone 3 90 - 3 - HE2 LYS 36 - HD3 LYS 26 lone 3 64 - 5 - HE3 LYS 86 - HD3 LYS 26 lone 3 75 - 3 - Peak 852 from cnoeabs.peaks (2.97, 1.66, 28.90 ppm; 2.50 A): 10 out of 66 assignments used, quality = 1.00: HE3 LYS 31 + HD3 LYS 31 OK 75 99 - 75 - 3.0=58, 881/2.9=3...(14) * HE3 LYS 31 + HD2 LYS 31 OK 75 100 - 75 - 3.0=58, 881/2.9=3...(13) HE2 LYS 31 + HD2 LYS 31 OK 73 98 - 74 - 3.0=58, 3.7/839=3...(15) HE3 LYS 26 + HD2 LYS 26 OK 73 99 - 73 - 3.0=58, 634/2.9=3...(18) HE2 LYS 26 + HD2 LYS 26 OK 73 99 - 73 - 3.0=58, 634/2.9=3...(18) HE2 LYS 31 + HD3 LYS 31 OK 72 97 - 74 - 3.0=58, 3.7/839=3...(15) HE3 LYS 26 + HD3 LYS 26 OK 63 87 - 72 - 3.0=58, 635/2.9=3...(17) HE2 LYS 26 + HD3 LYS 26 OK 63 87 - 72 - 3.0=58, 635/2.9=3...(17) HE3 LYS 24 + HD2 LYS 24 OK 61 87 - 70 - 3.0=59, 1.8/563=4...(10) HE3 LYS 24 + HD3 LYS 24 OK 60 85 - 71 - 3.0=59, 1.8/563=4...(12) HE2 LYS 26 - HD2 LYS 31 OK 28 100 - 28 - 841/2.9=2, 3.6/632=2...(5) HE3 LYS 26 - HD2 LYS 31 OK 28 100 - 28 - 841/2.9=2, 3.6/632=2...(5) HE3 LYS 26 - HD3 LYS 31 OK 27 99 - 28 - 841/2.9=2, 3.6/632=2...(5) HE2 LYS 26 - HD3 LYS 31 OK 27 99 - 28 - 841/2.9=2, 3.6/632=2...(5) HE3 LYS 31 - HD2 LYS 26 OK 23 99 - 24 - 634/2.9=2, 3.7/839=2...(5) HE2 LYS 31 - HD2 LYS 26 OK 22 97 - 23 - 635/2.9=2, 3.7/839=2...(4) HE3 LYS 31 - HD3 LYS 26 OK 20 87 - 23 - 635/2.9=2, 3.7/839=2...(5) HE2 LYS 31 - HD3 LYS 26 OK 18 83 - 22 - 634/2.9=2, 3.7/839=2...(4) HE3 LYS 31 - HD3 LYS 24 OK 18 99 - 18 - 3.7/839=1, 3.7/828=1 HE3 LYS 31 - HD2 LYS 24 OK 18 100 - 18 - 3.7/839=1, 3.7/828=1 HE3 LYS 19 - HD3 LYS 31 OK 18 97 - 18 - 841/2.9=1, 830/2.9=1 HE3 LYS 24 - HD3 LYS 31 OK 17 85 - 20 - 1.8/563=1, 841/2.9=1, 830/2.9=1 HE3 LYS 24 - HD2 LYS 31 OK 17 87 - 20 - 1.8/563=1, 841/2.9=1, 830/2.9=1 HE3 LYS 19 - HD2 LYS 31 OK 17 98 - 17 - 841/2.9=1, 830/2.9=1 HE3 LYS 19 - HD3 LYS 24 OK 16 97 - 17 - HE3 LYS 19 - HD2 LYS 24 OK 16 98 - 16 - HE2 LYS 31 - HD2 LYS 24 OK 15 98 - 16 - 3.7/839=1, 3.7/828=1 HE2 LYS 31 - HD3 LYS 24 OK 15 97 - 16 - 3.7/839=1, 3.7/828=1 HE3 LYS 26 - HD2 LYS 24 OK 14 100 - 14 - 3.6/632=1 HE2 LYS 26 - HD2 LYS 24 OK 14 100 - 14 - 3.6/632=1 HE2 LYS 26 - HD3 LYS 24 OK 14 99 - 14 - 3.6/632=1 HE3 LYS 26 - HD3 LYS 24 OK 14 99 - 14 - 3.6/632=1 HE3 LYS 24 - HD2 LYS 26 OK 12 85 - 14 - 634/2.9=1 HE2 LYS 19 - HD2 LYS 31 OK 12 65 - 18 - HE2 LYS 19 - HD3 LYS 31 OK 11 64 - 18 - HE3 LYS 19 - HD2 LYS 26 OK 11 97 - 12 - 634/2.9=1 HE2 LYS 19 - HD2 LYS 24 poor 10 65 - 15 - HE2 LYS 19 - HD3 LYS 24 poor 10 64 - 15 - HE3 LYS 24 - HD3 LYS 26 poor 9 70 - 13 - 634/2.9=1 HE3 LYS 19 - HD3 LYS 26 poor 9 83 - 11 - 634/2.9=1 HE3 LYS 36 - HD2 LYS 24 poor 9 87 - 10 - HE3 LYS 36 - HD3 LYS 24 poor 8 85 - 10 - HE3 LYS 36 - HD3 LYS 31 lone 8 85 - 10 - HE3 LYS 36 - HD2 LYS 31 lone 8 87 - 9 - HE2 LYS 19 - HD2 LYS 26 poor 7 64 - 11 - HE3 LYS 86 - HD2 LYS 24 lone 6 73 - 9 - 1.8/2699=1 HE3 LYS 86 - HD3 LYS 24 lone 6 71 - 9 - 1.8/2698=1 HE2 LYS 19 - HD3 LYS 26 poor 5 50 - 11 - HE2 LYS 36 - HD2 LYS 24 lone 5 57 - 9 - HE2 LYS 36 - HD2 LYS 31 lone 5 57 - 9 - HE2 LYS 36 - HD3 LYS 31 lone 5 56 - 9 - HE2 LYS 36 - HD3 LYS 24 lone 5 56 - 9 - HE3 LYS 36 - HD2 LYS 26 lone 5 85 - 6 - HE3 LYS 86 - HD2 LYS 31 lone 5 73 - 6 - HE3 LYS 86 - HD3 LYS 31 lone 5 71 - 6 - HE3 LYS 36 - HD3 LYS 26 lone 4 70 - 5 - HE2 LYS 36 - HD2 LYS 26 lone 3 56 - 5 - HE3 LYS 86 - HD2 LYS 26 lone 2 71 - 3 - HE2 LYS 36 - HD3 LYS 26 lone 2 44 - 4 - HE3 LYS 86 - HD3 LYS 26 lone 2 57 - 3 - HB3 ASN 121 - HD2 LYS 31 lone 1 81 - 1 - HB3 ASN 121 - HD3 LYS 31 lone 1 79 - 1 - HB3 ASN 121 - HD2 LYS 26 lone 0 79 - 1 - HB3 ASN 121 - HD3 LYS 26 lone 0 64 - 1 - HB3 ASN 121 - HD2 LYS 24 lone 0 81 - 0 - HB3 ASN 121 - HD3 LYS 24 lone 0 79 - 0 - Peak 854 from cnoeabs.peaks (8.23, 1.66, 28.90 ppm; 4.14 A): 8 out of 18 assignments used, quality = 1.00: * H LYS 31 + HD3 LYS 31 OK 88 100 - 88 - 6.2=31, 6331/3.5=19...(28) H LYS 31 + HD2 LYS 31 OK 87 99 - 88 - 6.2=31, 6331/3.5=19...(28) H LYS 31 + HD2 LYS 26 OK 56 100 - 57 - 6336=6, 6334/2.9=6...(24) H LYS 31 + HD3 LYS 26 OK 54 96 - 57 - 6336=6, 6334/2.9=6...(24) H LYS 31 + HD3 LYS 24 OK 50 100 - 50 - 6331/3.5=8, 6333/3.0=6...(19) H LYS 31 + HD2 LYS 24 OK 50 99 - 50 - 6331/3.5=8, 6333/3.0=6...(19) H SER 33 + HD3 LYS 31 OK 49 100 - 49 - 6364/2.9=10, 799/3.5=8...(14) H SER 33 + HD2 LYS 31 OK 49 99 - 49 - 6364/2.9=10, 799/3.5=8...(14) H SER 107 - HD3 LYS 31 OK 24 100 - 24 - 10101/2.9=7, 821/2.9=4...(8) H SER 107 - HD2 LYS 31 OK 24 99 - 24 - 10101/2.9=7, 821/2.9=4...(8) H SER 33 - HD2 LYS 26 OK 18 100 - 18 - 6364/2.9=3, 6361/3.5=3...(6) H SER 33 - HD3 LYS 26 OK 16 95 - 17 - 6364/2.9=3, 6361/3.5=3...(5) H SER 33 - HD3 LYS 24 OK 16 100 - 16 - 6364/3.0=3, 6361/3.5=2...(6) H SER 33 - HD2 LYS 24 OK 16 99 - 16 - 6364/3.0=3, 6361/3.5=2...(7) H SER 107 - HD2 LYS 24 lone 3 99 - 3 - H SER 107 - HD3 LYS 24 lone 3 100 - 3 - H SER 107 - HD2 LYS 26 lone 3 100 - 3 - H SER 107 - HD3 LYS 26 lone 3 95 - 3 - Peak 855 from cnoeabs.peaks (4.28, 1.66, 28.90 ppm; 3.04 A): 8 out of 84 assignments used, quality = 1.00: * HA LYS 31 + HD3 LYS 31 OK 76 100 - 76 - 5.2=20, 793/2.9=12...(28) HA LYS 31 + HD2 LYS 31 OK 75 99 - 76 - 5.2=20, 793/2.9=12...(28) HA LYS 26 + HD2 LYS 26 OK 51 73 - 70 - 5.0=23, 597/2.9=5...(31) HA LYS 31 + HD2 LYS 26 OK 50 100 - 51 - 795=6, 793/2.9=4...(18) HA LYS 31 + HD3 LYS 24 OK 48 100 - 48 - 795=5, 792/3.0=4...(13) HA LYS 31 + HD2 LYS 24 OK 48 99 - 48 - 795=5, 792/3.0=4...(13) HA LYS 31 + HD3 LYS 26 OK 48 96 - 50 - 795=5, 793/2.9=4...(18) HA LYS 26 + HD3 LYS 26 OK 46 66 - 69 - 5.0=23, 597/2.9=5...(29) HA LYS 26 - HD3 LYS 31 OK 34 73 - 47 - 833/2.9=3, 822/2.9=3...(18) HA LYS 26 - HD2 LYS 31 OK 33 71 - 47 - 833/2.9=3, 822/2.9=3...(18) HA LYS 26 - HD3 LYS 24 OK 32 73 - 44 - 2.9/6254=2, 598/3.0=2...(18) HA LYS 26 - HD2 LYS 24 OK 31 71 - 44 - 2.9/6254=2, 598/3.0=2...(18) HA LYS 36 - HD3 LYS 24 OK 25 99 - 25 - 977/3.0=4, 980/1.8=3...(6) HA LYS 36 - HD3 LYS 31 OK 23 99 - 24 - 833/2.9=2, 980/1.8=2...(7) HA LYS 36 - HD2 LYS 24 OK 21 98 - 22 - 977/3.0=4, 975/3.5=2...(4) HA LYS 36 - HD2 LYS 31 OK 20 98 - 20 - 833/2.9=2, 975/3.5=2...(5) HA LYS 19 - HD3 LYS 31 OK 20 57 - 34 - 833/2.9=2, 822/2.9=2...(12) HA LYS 19 - HD2 LYS 31 OK 19 56 - 35 - 833/2.9=2, 822/2.9=2...(11) HA LYS 19 - HD3 LYS 24 OK 18 57 - 32 - ~281=2, ~6152=2...(7) HA LYS 19 - HD2 LYS 24 OK 18 56 - 32 - ~281=2, ~6152=2...(7) HA LYS 19 - HD2 LYS 26 OK 18 57 - 31 - 627/2.9=3, 638/2.9=2...(8) HA LYS 19 - HD3 LYS 26 OK 15 51 - 29 - 627/2.9=3, 638/2.9=2...(7) HA LYS 36 - HD2 LYS 26 OK 13 99 - 13 - 977/2.9=3, 975/3.5=2 HA LYS 36 - HD3 LYS 26 OK 12 94 - 13 - 977/2.9=3, 975/3.5=2 HA ALA 15 - HD3 LYS 31 OK 11 73 - 15 - ~10790=2, ~842=1, ~831=1...(6) HA ALA 15 - HD2 LYS 31 OK 10 71 - 15 - ~10790=2, ~842=1, ~831=1...(6) HB THR 115 - HD3 LYS 24 lone 7 98 - 7 - 10191/3.0=3, ~10196=1 HB THR 115 - HD2 LYS 24 lone 7 97 - 7 - 10191/3.0=3, ~10196=1 HB THR 115 - HD2 LYS 26 lone 6 98 - 6 - 10191/2.9=2, 11521/5.7=2 HB THR 115 - HD3 LYS 26 lone 6 92 - 6 - 10191/2.9=2, 11521/5.7=2 HA ARG 23 - HD2 LYS 26 lone 6 65 - 9 - 419/3.5=2, 418/3.5=2, 424/5.7=1 HA ARG 23 - HD3 LYS 26 lone 5 58 - 9 - 419/3.5=2, 418/3.5=2, 424/5.7=1 HA ALA 108 - HD2 LYS 31 lone 4 99 - 4 - HA ALA 108 - HD3 LYS 31 lone 4 100 - 4 - HA ALA 109 - HD2 LYS 31 lone 4 99 - 4 - HA ALA 109 - HD3 LYS 31 lone 4 100 - 4 - HA ARG 23 - HD3 LYS 24 lone 4 65 - 6 - 6212/5.9=2, 418/3.5=1 HA ARG 23 - HD2 LYS 24 lone 4 64 - 6 - 6212/5.9=2, 418/3.5=1 HA LEU 22 - HD2 LYS 31 lone 3 99 - 3 - HA LEU 22 - HD3 LYS 31 lone 3 100 - 3 - HB THR 115 - HD2 LYS 31 lone 2 97 - 2 - HA ARG 23 - HD3 LYS 31 lone 2 65 - 3 - HB THR 115 - HD3 LYS 31 lone 2 98 - 2 - HA ARG 23 - HD2 LYS 31 lone 2 64 - 3 - HA ALA 110 - HD3 LYS 31 lone 2 81 - 2 - HA ALA 110 - HD2 LYS 31 lone 2 79 - 2 - HA LEU 22 - HD2 LYS 24 lone 1 99 - 1 - HA LEU 22 - HD3 LYS 24 lone 1 100 - 1 - HA ALA 16 - HD2 LYS 31 lone 1 99 - 1 - HA ALA 16 - HD3 LYS 31 lone 1 100 - 1 - HA ALA 108 - HD2 LYS 26 lone 1 100 - 1 - HA ALA 15 - HD3 LYS 24 lone 1 73 - 2 - HA ALA 108 - HD3 LYS 26 lone 1 96 - 1 - HA ALA 15 - HD2 LYS 24 lone 1 71 - 2 - HA GLN 61 - HD3 LYS 31 lone 1 96 - 1 - HA GLN 61 - HD2 LYS 31 lone 1 94 - 1 - HA LEU 22 - HD2 LYS 26 lone 1 100 - 1 - HA ALA 109 - HD2 LYS 26 lone 1 100 - 1 - HA LEU 22 - HD3 LYS 26 lone 1 96 - 1 - HA ALA 108 - HD2 LYS 24 lone 1 99 - 1 - HA ALA 109 - HD3 LYS 26 lone 1 96 - 1 - HA ALA 108 - HD3 LYS 24 lone 1 100 - 1 - HA ALA 15 - HD2 LYS 26 lone 1 73 - 1 - HA ALA 109 - HD2 LYS 24 lone 1 99 - 1 - HA ALA 109 - HD3 LYS 24 lone 1 100 - 1 - HA ALA 16 - HD2 LYS 26 lone 1 100 - 1 - HA ALA 15 - HD3 LYS 26 lone 1 66 - 1 - HA ALA 16 - HD3 LYS 26 lone 1 95 - 1 - HA GLN 61 - HD2 LYS 24 lone 1 94 - 1 - HA GLN 61 - HD3 LYS 24 lone 1 96 - 1 - HA ALA 110 - HD3 LYS 24 lone 1 81 - 1 - HA ALA 110 - HD2 LYS 24 lone 1 79 - 1 - HA ALA 16 - HD2 LYS 24 lone 1 99 - 1 - HA ALA 16 - HD3 LYS 24 lone 1 100 - 1 - HA ALA 110 - HD2 LYS 26 lone 1 81 - 1 - HA GLN 61 - HD2 LYS 26 lone 0 96 - 1 - HA ALA 110 - HD3 LYS 26 lone 0 73 - 1 - HA GLN 61 - HD3 LYS 26 lone 0 89 - 1 - HA ALA 12 - HD3 LYS 31 lone 0 73 - 1 - HA ALA 12 - HD2 LYS 31 lone 0 71 - 1 - HA ALA 12 - HD3 LYS 24 lone 0 73 - 1 - HA ALA 12 - HD2 LYS 24 lone 0 71 - 1 - HA ALA 12 - HD2 LYS 26 lone 0 73 - 0 - HA ALA 12 - HD3 LYS 26 lone 0 66 - 0 - Peak 856 from cnoeabs.peaks (1.74, 1.66, 28.90 ppm; 2.63 A): 12 out of 36 assignments used, quality = 1.00: * HB2 LYS 31 + HD3 LYS 31 OK 79 100 - 79 - 3.5=43, 804/2.9=8...(27) HB2 LYS 31 + HD2 LYS 31 OK 78 99 - 78 - 3.5=43, 804/2.9=8...(27) HB2 LYS 24 + HD3 LYS 24 OK 72 96 - 75 - 3.5=42, 3.0/486=3...(33) HB2 LYS 24 + HD2 LYS 24 OK 71 94 - 75 - 3.5=42, 3.0/486=3...(33) HB2 LYS 26 + HD2 LYS 26 OK 61 81 - 75 - 3.5=42, 3.0/632=4...(27) HB2 LYS 26 + HD3 LYS 26 OK 55 73 - 75 - 3.5=42, 3.0/632=4...(27) HB2 LYS 31 + HD2 LYS 26 OK 48 100 - 48 - 806=3, 804/2.9=3...(14) HB2 LYS 24 + HD3 LYS 31 OK 47 96 - 49 - 823/2.9=4, 834/2.9=4...(18) HB2 LYS 31 + HD3 LYS 24 OK 46 100 - 46 - 806=3, 803/3.0=3...(11) HB2 LYS 24 + HD2 LYS 31 OK 46 94 - 49 - 823/2.9=4, 834/2.9=4...(18) HB2 LYS 31 + HD2 LYS 24 OK 45 99 - 46 - 806=3, 803/3.0=3...(11) HB2 LYS 31 + HD3 LYS 26 OK 45 96 - 48 - 806=3, 804/2.9=3...(16) HB2 LYS 24 - HD2 LYS 26 OK 42 96 - 44 - 628/2.9=3, 3.0/486=2...(17) HB2 LYS 26 - HD3 LYS 31 OK 39 81 - 49 - 823/2.9=3, 834/2.9=3...(15) HB2 LYS 26 - HD2 LYS 31 OK 39 79 - 49 - 823/2.9=3, 834/2.9=3...(15) HB2 LYS 24 - HD3 LYS 26 OK 38 89 - 43 - 628/2.9=3, 3.0/486=2...(18) HB2 LYS 26 - HD3 LYS 24 OK 33 81 - 41 - 1.8/621=2, 3.0/632=2...(13) HB2 LYS 26 - HD2 LYS 24 OK 32 79 - 41 - 1.8/621=2, 3.0/632=2...(13) HB2 LYS 19 - HD3 LYS 31 OK 29 81 - 36 - 823/2.9=3, 834/2.9=3...(7) HB2 LYS 19 - HD2 LYS 31 OK 29 79 - 36 - 823/2.9=3, 834/2.9=3...(7) HB2 LYS 19 - HD3 LYS 24 OK 28 81 - 35 - 514/3.0=2, 525/3.0=2...(7) HB2 LYS 19 - HD2 LYS 24 OK 28 79 - 35 - 514/3.0=2, 525/3.0=2...(7) HB2 LYS 19 - HD2 LYS 26 OK 25 81 - 31 - 628/2.9=2, 639/2.9=1...(5) HB2 LYS 19 - HD3 LYS 26 OK 21 73 - 28 - 628/2.9=2, 639/2.9=1...(5) HG13 ILE 129 - HD2 LYS 26 lone 5 100 - 5 - ~10483=2, ~10491=1 HG13 ILE 129 - HD3 LYS 26 lone 5 95 - 5 - ~10483=2, ~10491=1 HB ILE 80 - HD3 LYS 31 lone 3 87 - 3 - HB ILE 80 - HD2 LYS 31 lone 3 85 - 3 - HG13 ILE 129 - HD3 LYS 31 lone 2 100 - 2 - HG13 ILE 129 - HD2 LYS 31 lone 2 99 - 2 - HB ILE 80 - HD2 LYS 26 lone 1 87 - 1 - HB ILE 80 - HD3 LYS 26 lone 1 79 - 1 - HG13 ILE 129 - HD3 LYS 24 lone 1 100 - 1 - HG13 ILE 129 - HD2 LYS 24 lone 1 99 - 1 - HB ILE 80 - HD3 LYS 24 lone 1 87 - 1 - HB ILE 80 - HD2 LYS 24 lone 1 85 - 1 - Peak 857 from cnoeabs.peaks (1.81, 1.66, 28.90 ppm; 2.78 A): 14 out of 54 assignments used, quality = 1.00: * HB3 LYS 31 + HD3 LYS 31 OK 83 100 - 83 - 3.5=51, 815/2.9=7...(32) HB3 LYS 31 + HD2 LYS 31 OK 83 99 - 83 - 3.5=51, 815/2.9=7...(32) HB3 LYS 24 + HD3 LYS 24 OK 80 99 - 81 - 3.5=49, 515/3.0=4...(39) HB3 LYS 24 + HD2 LYS 24 OK 80 98 - 81 - 3.5=49, 515/3.0=4...(39) HB3 LYS 26 + HD2 LYS 26 OK 66 81 - 82 - 3.5=50, 619/2.9=7...(34) HB3 LYS 26 + HD3 LYS 26 OK 59 73 - 81 - 3.5=50, 619/2.9=7...(32) HB3 LYS 24 + HD3 LYS 31 OK 54 99 - 54 - 835/2.9=4, 824/2.9=4...(18) HB3 LYS 24 + HD2 LYS 31 OK 54 98 - 55 - 835/2.9=4, 824/2.9=4...(18) HB3 LYS 31 + HD2 LYS 26 OK 51 100 - 51 - 3.0/839=3, 817=3...(20) HB3 LYS 31 + HD3 LYS 26 OK 49 96 - 51 - 3.0/839=3, 817=3...(20) HB3 LYS 24 + HD2 LYS 26 OK 49 99 - 49 - 3.0/486=3, 505/2.9=2...(21) HB3 LYS 31 + HD3 LYS 24 OK 48 100 - 48 - 3.0/839=3, 1.8/806=2...(23) HB3 LYS 31 + HD2 LYS 24 OK 48 99 - 49 - 3.0/839=3, 1.8/806=2...(23) HB3 LYS 24 + HD3 LYS 26 OK 45 94 - 48 - 3.0/486=3, 505/2.9=2...(21) HB3 LYS 26 - HD3 LYS 31 OK 44 81 - 55 - 621=3, 3.0/632=3...(14) HB3 LYS 26 - HD2 LYS 31 OK 43 79 - 55 - 621=3, 3.0/632=3...(14) HB3 LYS 19 - HD3 LYS 31 OK 43 100 - 42 - 835/2.9=3, 824/2.9=3...(12) HB3 LYS 19 - HD2 LYS 31 OK 42 99 - 43 - 835/2.9=3, 824/2.9=3...(12) HB3 LYS 19 - HD3 LYS 24 OK 40 100 - 40 - 515/3.0=2, 817=2...(15) HB3 LYS 19 - HD2 LYS 24 OK 40 99 - 40 - 515/3.0=2, 817=2...(15) HB3 LYS 26 - HD3 LYS 24 OK 38 81 - 47 - 621=3, 3.0/632=2...(16) HB3 LYS 19 - HD2 LYS 26 OK 37 100 - 37 - 817=2, ~628=2, 265/1.8=2...(12) HB3 LYS 26 - HD2 LYS 24 OK 37 79 - 47 - 621=3, 3.0/632=2...(16) HB3 LYS 19 - HD3 LYS 26 OK 32 96 - 34 - ~628=2, 817=2, 815/2.9=2...(11) HB ILE 32 - HD3 LYS 31 OK 28 87 - 32 - 900/2.9=3, 2.1/10755=2...(13) HB ILE 32 - HD2 LYS 31 OK 27 85 - 32 - 900/2.9=3, 835/2.9=2...(13) HB2 LYS 36 - HD3 LYS 24 OK 25 92 - 28 - 988/3.0=2, ~999=2...(7) HB2 LYS 36 - HD3 LYS 31 OK 22 92 - 23 - 835/2.9=1, 824/2.9=1...(5) HB2 LYS 36 - HD2 LYS 24 OK 20 90 - 23 - 988/3.0=2, ~999=2...(4) HB2 LYS 36 - HD2 LYS 31 OK 17 90 - 19 - 835/2.9=1, 824/2.9=1 HB ILE 32 - HD2 LYS 26 OK 15 87 - 17 - 900/2.9=2, ~10840=1...(6) HB ILE 32 - HD3 LYS 26 OK 14 79 - 17 - 900/2.9=2, 2.1/10755=2...(6) HB ILE 32 - HD3 LYS 24 OK 10 87 - 11 - 900/3.0=1 HB2 LYS 36 - HD2 LYS 26 poor 10 92 - 11 - 988/2.9=2, ~999=1 HB ILE 32 - HD2 LYS 24 poor 10 85 - 11 - 900/3.0=1 HB2 LYS 36 - HD3 LYS 26 poor 9 84 - 11 - 988/2.9=2, ~999=1 HB3 LEU 123 - HD2 LYS 26 lone 5 61 - 8 - ~10756=3, ~11421=1 HB3 LEU 123 - HD3 LYS 26 lone 4 54 - 8 - ~10756=3, ~11421=1 HB2 ARG 84 - HD3 LYS 31 lone 1 98 - 1 - HB3 LEU 123 - HD3 LYS 24 lone 1 61 - 2 - HB2 ARG 84 - HD2 LYS 31 lone 1 97 - 1 - HB3 LEU 123 - HD2 LYS 24 lone 1 59 - 2 - HB3 ARG 135 - HD3 LYS 31 lone 1 87 - 1 - HB3 ARG 135 - HD2 LYS 31 lone 1 85 - 1 - HB3 LEU 123 - HD3 LYS 31 lone 0 61 - 1 - HB3 ARG 135 - HD3 LYS 24 lone 0 87 - 1 - HB3 ARG 135 - HD2 LYS 24 lone 0 85 - 1 - HB3 ARG 135 - HD2 LYS 26 lone 0 87 - 1 - HB3 LEU 123 - HD2 LYS 31 lone 0 59 - 1 - HB3 ARG 135 - HD3 LYS 26 lone 0 79 - 1 - HB2 ARG 84 - HD3 LYS 24 lone 0 98 - 0 - HB2 ARG 84 - HD2 LYS 24 lone 0 97 - 0 - HB2 ARG 84 - HD2 LYS 26 lone 0 98 - 0 - HB2 ARG 84 - HD3 LYS 26 lone 0 92 - 0 - Peak 858 from cnoeabs.peaks (1.44, 1.66, 28.90 ppm; 2.50 A): 6 out of 30 assignments used, quality = 1.00: * HG2 LYS 31 + HD3 LYS 31 OK 80 100 - 80 - 2.9=61, 1.8/839=7...(18) HG2 LYS 31 + HD2 LYS 31 OK 79 99 - 80 - 2.9=61, 1.8/839=7...(18) HG3 LYS 24 + HD3 LYS 24 OK 77 96 - 80 - 3.0=60, 1.8/519=4...(17) HG3 LYS 24 + HD2 LYS 24 OK 75 94 - 80 - 3.0=60, 1.8/519=4...(17) HG2 LYS 26 + HD2 LYS 26 OK 54 65 - 82 - 2.9=65, 1.8/643=4...(25) HG2 LYS 26 + HD3 LYS 26 OK 48 58 - 82 - 2.9=65, 1.8/643=4...(28) HG2 LYS 31 - HD2 LYS 26 OK 41 100 - 42 - 1.8/839=3, 828=3...(12) HG3 LYS 24 - HD3 LYS 31 OK 40 96 - 42 - 836/2.9=3, 530=3...(10) HG2 LYS 31 - HD3 LYS 24 OK 40 100 - 40 - 1.8/839=3, 828=3...(14) HG2 LYS 31 - HD2 LYS 24 OK 40 99 - 40 - 1.8/839=3, 828=3...(14) HG3 LYS 24 - HD2 LYS 31 OK 39 94 - 42 - 836/2.9=3, 530=3...(10) HG2 LYS 31 - HD3 LYS 26 OK 39 96 - 41 - 1.8/839=3, 828=3...(12) HG3 LYS 24 - HD2 LYS 26 OK 35 96 - 37 - 527/2.9=3, 530=3...(8) HG3 LYS 19 - HD3 LYS 24 OK 33 99 - 34 - 517/3.0=3, ~285=2, 530=2...(10) HG3 LYS 19 - HD2 LYS 24 OK 33 98 - 34 - 517/3.0=3, ~285=2, 530=2...(10) HG3 LYS 24 - HD3 LYS 26 OK 32 89 - 37 - 527/2.9=3, 530=3...(9) HG3 LYS 19 - HD3 LYS 31 OK 31 99 - 31 - 836/2.9=3, 530=2...(7) HG3 LYS 19 - HD2 LYS 31 OK 31 98 - 32 - 836/2.9=3, 530=2...(7) HG2 LYS 26 - HD3 LYS 31 OK 28 65 - 43 - 836/2.9=2, 1.8/643=2...(8) HG2 LYS 26 - HD2 LYS 31 OK 27 64 - 43 - 836/2.9=2, 1.8/643=2...(9) HG3 LYS 19 - HD2 LYS 26 OK 25 99 - 25 - 527/2.9=2, 530=2...(6) HG13 ILE 32 - HD2 LYS 31 OK 22 97 - 23 - 836/2.9=2, 921/3.5=2...(8) HG13 ILE 32 - HD3 LYS 31 OK 22 98 - 23 - 836/2.9=2, 921/3.5=2...(8) HG2 LYS 26 - HD3 LYS 24 OK 22 65 - 33 - 1.8/643=2, 632=2...(8) HG3 LYS 19 - HD3 LYS 26 OK 21 94 - 23 - 527/2.9=2, 530=1...(4) HG2 LYS 26 - HD2 LYS 24 OK 21 64 - 33 - 1.8/643=2, 632=2...(8) HG13 ILE 32 - HD2 LYS 26 OK 13 98 - 13 - 921/3.5=2 HG13 ILE 32 - HD3 LYS 26 OK 12 92 - 13 - 921/3.5=2 HG13 ILE 32 - HD2 LYS 24 lone 8 97 - 9 - HG13 ILE 32 - HD3 LYS 24 lone 8 98 - 8 - Peak 859 from cnoeabs.peaks (1.39, 1.66, 28.90 ppm; 2.65 A): 8 out of 60 assignments used, quality = 1.00: * HG3 LYS 31 + HD3 LYS 31 OK 88 100 - 88 - 2.9=73, 839/1.8=7...(24) HG3 LYS 31 + HD2 LYS 31 OK 88 99 - 88 - 2.9=73, 839/1.8=7...(24) HG3 LYS 26 + HD2 LYS 26 OK 59 65 - 89 - 2.9=77, 1.8/632=7...(26) HG3 LYS 26 + HD3 LYS 26 OK 52 58 - 89 - 2.9=77, 1.8/632=7...(26) HG3 LYS 31 + HD2 LYS 26 OK 48 100 - 48 - 839=6, 839/1.8=4...(16) HG3 LYS 31 + HD3 LYS 24 OK 46 100 - 46 - 839=6, 836/3.0=4...(12) HG3 LYS 31 + HD2 LYS 24 OK 46 99 - 46 - 839=6, 836/3.0=4...(12) HG3 LYS 31 + HD3 LYS 26 OK 46 96 - 48 - 839=6, 839/1.8=4...(16) HG3 LYS 26 - HD3 LYS 31 OK 31 65 - 48 - 1.8/632=4, 826/2.9=3...(18) HG3 LYS 26 - HD2 LYS 31 OK 31 64 - 48 - 1.8/632=4, 826/2.9=3...(18) HG3 LYS 26 - HD3 LYS 24 OK 24 65 - 37 - 1.8/632=3, ~631=2...(9) HG3 LYS 26 - HD2 LYS 24 OK 24 64 - 37 - 1.8/632=3, ~631=2...(10) HG2 LYS 95 - HD3 LYS 31 OK 15 98 - 15 - 826/2.9=1, 2995=1, 804/3.5=1 HG2 LYS 95 - HD2 LYS 31 OK 15 97 - 15 - 826/2.9=1, 2995=1, 804/3.5=1 HG3 LYS 95 - HD3 LYS 31 OK 14 92 - 15 - 2995=1, 826/2.9=1 HG3 LYS 95 - HD2 LYS 31 OK 13 90 - 15 - 826/2.9=1, 2995=1 HG LEU 96 - HD3 LYS 31 lone 8 81 - 10 - 2.1/11694=2, ~11694=1 HG LEU 96 - HD2 LYS 31 lone 8 79 - 10 - 2.1/11694=2, ~11694=1 QB ALA 15 - HD3 LYS 31 lone 7 73 - 10 - 10790/3.5=1, ~842=1, ~831=1 QB ALA 15 - HD2 LYS 31 lone 7 71 - 10 - 10790/3.5=1, ~842=1, ~831=1 HG2 LYS 95 - HD2 LYS 26 lone 6 98 - 6 - HG2 LYS 95 - HD3 LYS 26 lone 6 92 - 6 - HG3 LYS 95 - HD2 LYS 26 lone 6 92 - 6 - HG3 LYS 95 - HD3 LYS 26 lone 5 84 - 6 - HG2 LYS 95 - HD3 LYS 24 lone 5 98 - 5 - HG2 LYS 95 - HD2 LYS 24 lone 5 97 - 5 - HG3 LYS 95 - HD3 LYS 24 lone 5 92 - 5 - HG3 LYS 95 - HD2 LYS 24 lone 5 90 - 5 - QB ALA 109 - HD3 LYS 31 lone 4 99 - 4 - QB ALA 109 - HD2 LYS 31 lone 4 98 - 4 - HG LEU 96 - HD3 LYS 24 lone 3 81 - 4 - HG LEU 96 - HD2 LYS 24 lone 3 79 - 4 - QB ALA 108 - HD3 LYS 31 lone 3 87 - 3 - QB ALA 108 - HD2 LYS 31 lone 3 85 - 3 - HG LEU 96 - HD2 LYS 26 lone 2 81 - 3 - HG LEU 96 - HD3 LYS 26 lone 2 73 - 3 - QB ALA 28 - HD3 LYS 26 lone 2 73 - 2 - QB ALA 28 - HD3 LYS 31 lone 1 81 - 2 - QB ALA 28 - HD2 LYS 31 lone 1 79 - 2 - QB ALA 28 - HD2 LYS 26 lone 1 81 - 2 - QB ALA 110 - HD3 LYS 31 lone 1 73 - 1 - QB ALA 110 - HD2 LYS 31 lone 1 71 - 1 - QB ALA 109 - HD2 LYS 26 lone 1 99 - 1 - QB ALA 28 - HD3 LYS 24 lone 1 81 - 1 - QB ALA 109 - HD3 LYS 26 lone 1 94 - 1 - QB ALA 108 - HD2 LYS 26 lone 1 87 - 1 - QB ALA 28 - HD2 LYS 24 lone 1 79 - 1 - QB ALA 15 - HD3 LYS 24 lone 1 73 - 1 - QB ALA 15 - HD2 LYS 26 lone 1 73 - 1 - QB ALA 108 - HD3 LYS 26 lone 1 79 - 1 - QB ALA 15 - HD2 LYS 24 lone 1 71 - 1 - QB ALA 109 - HD3 LYS 24 lone 1 99 - 1 - QB ALA 109 - HD2 LYS 24 lone 1 98 - 1 - QB ALA 15 - HD3 LYS 26 lone 1 66 - 1 - QB ALA 108 - HD3 LYS 24 lone 1 87 - 1 - QB ALA 108 - HD2 LYS 24 lone 1 85 - 1 - QB ALA 110 - HD2 LYS 26 lone 0 73 - 0 - QB ALA 110 - HD3 LYS 26 lone 0 66 - 0 - QB ALA 110 - HD3 LYS 24 lone 0 73 - 0 - QB ALA 110 - HD2 LYS 24 lone 0 71 - 0 - Peak 860 from cnoeabs.peaks (1.66, 1.66, 28.90 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: HD2 LYS 26 + HD2 LYS 26 OK 100 100 - 100 HD3 LYS 31 + HD3 LYS 31 OK 100 100 - 100 HD3 LYS 24 + HD3 LYS 24 OK 100 100 - 100 HD2 LYS 31 + HD2 LYS 31 OK 99 99 - 100 HD2 LYS 24 + HD2 LYS 24 OK 99 99 - 100 HD3 LYS 26 + HD3 LYS 26 OK 92 92 - 100 Reference assignment not found: HD2 LYS 31 - HD3 LYS 31 Peak 861 from cnoeabs.peaks (1.66, 1.66, 28.90 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: HD2 LYS 26 + HD2 LYS 26 OK 100 100 - 100 * HD3 LYS 31 + HD3 LYS 31 OK 100 100 - 100 HD3 LYS 24 + HD3 LYS 24 OK 100 100 - 100 HD2 LYS 31 + HD2 LYS 31 OK 99 99 - 100 HD2 LYS 24 + HD2 LYS 24 OK 99 99 - 100 HD3 LYS 26 + HD3 LYS 26 OK 94 94 - 100 Peak 862 from cnoeabs.peaks (2.96, 1.66, 28.90 ppm; 2.50 A): 11 out of 66 assignments used, quality = 1.00: * HE2 LYS 31 + HD3 LYS 31 OK 74 100 - 74 - 3.0=58, 3.7/839=3...(15) HE3 LYS 31 + HD3 LYS 31 OK 74 98 - 75 - 3.0=58, 3.7/839=3...(14) HE2 LYS 31 + HD2 LYS 31 OK 74 99 - 74 - 3.0=58, 3.7/839=3...(15) HE3 LYS 31 + HD2 LYS 31 OK 72 97 - 75 - 3.0=58, 3.7/839=3...(13) HE2 LYS 26 + HD2 LYS 26 OK 71 98 - 73 - 3.0=58, 635/2.9=3...(17) HE3 LYS 26 + HD2 LYS 26 OK 71 98 - 73 - 3.0=58, 635/2.9=3...(17) HE3 LYS 24 + HD3 LYS 24 OK 70 98 - 72 - 3.0=59, 1.8/563=4...(12) HE3 LYS 24 + HD2 LYS 24 OK 68 97 - 71 - 3.0=59, 1.8/563=4...(10) HE2 LYS 26 + HD3 LYS 26 OK 66 92 - 72 - 3.0=58, 634/2.9=3...(16) HE3 LYS 26 + HD3 LYS 26 OK 66 92 - 72 - 3.0=58, 634/2.9=3...(16) HE2 LYS 24 + HD3 LYS 24 OK 47 65 - 71 - 3.0=59, 1.8/574=2...(9) HE2 LYS 24 - HD2 LYS 24 OK 45 64 - 70 - 3.0=59, 1.8/574=2...(7) HE2 LYS 26 - HD3 LYS 31 OK 27 98 - 27 - 3.6/632=2, 841/2.9=2...(5) HE3 LYS 26 - HD3 LYS 31 OK 27 98 - 27 - 3.6/632=2, 841/2.9=2...(5) HE2 LYS 26 - HD2 LYS 31 OK 26 97 - 28 - 3.6/632=2, 841/2.9=2...(5) HE3 LYS 26 - HD2 LYS 31 OK 26 97 - 28 - 3.6/632=2, 841/2.9=2...(5) HE3 LYS 31 - HD2 LYS 26 OK 23 98 - 23 - 635/2.9=2, 3.7/839=2...(5) HE2 LYS 31 - HD2 LYS 26 OK 22 100 - 22 - 635/2.9=2, 3.7/839=2...(4) HE3 LYS 31 - HD3 LYS 26 OK 21 92 - 23 - 635/2.9=2, 3.7/839=2...(5) HE2 LYS 31 - HD3 LYS 26 OK 21 96 - 22 - 634/2.9=2, 3.7/839=2...(4) HE3 LYS 24 - HD3 LYS 31 OK 20 98 - 21 - 840/2.9=1, 1.8/563=1, 829/2.9=1 HE3 LYS 24 - HD2 LYS 31 OK 19 97 - 20 - 840/2.9=1, 1.8/563=1, 829/2.9=1 HE3 LYS 19 - HD3 LYS 31 OK 18 100 - 18 - 841/2.9=1, 830/2.9=1 HE3 LYS 31 - HD3 LYS 24 OK 17 98 - 18 - 3.7/839=1, 3.7/828=1 HE3 LYS 19 - HD3 LYS 24 OK 17 100 - 17 - HE3 LYS 19 - HD2 LYS 31 OK 17 99 - 17 - 841/2.9=1, 830/2.9=1 HE3 LYS 31 - HD2 LYS 24 OK 17 97 - 18 - 3.7/839=1, 3.7/828=1 HE3 LYS 19 - HD2 LYS 24 OK 16 99 - 17 - HE2 LYS 19 - HD3 LYS 31 OK 16 87 - 19 - HE2 LYS 31 - HD3 LYS 24 OK 16 100 - 16 - 3.7/839=1, 3.7/828=1 HE2 LYS 31 - HD2 LYS 24 OK 16 99 - 16 - 3.7/839=1, 3.7/828=1 HE2 LYS 19 - HD2 LYS 31 OK 15 85 - 18 - HE2 LYS 19 - HD3 LYS 24 OK 14 87 - 16 - HE3 LYS 26 - HD3 LYS 24 OK 14 98 - 14 - 3.6/632=1 HE2 LYS 26 - HD3 LYS 24 OK 14 98 - 14 - 3.6/632=1 HE2 LYS 24 - HD3 LYS 31 OK 14 65 - 21 - HE3 LYS 26 - HD2 LYS 24 OK 14 97 - 14 - 3.6/632=1 HE2 LYS 26 - HD2 LYS 24 OK 14 97 - 14 - 3.6/632=1 HE3 LYS 24 - HD2 LYS 26 OK 14 98 - 14 - 635/2.9=1 HE2 LYS 19 - HD2 LYS 24 OK 14 85 - 16 - HE2 LYS 24 - HD2 LYS 31 OK 13 64 - 20 - HE3 LYS 24 - HD3 LYS 26 OK 12 92 - 14 - 635/2.9=1 HE3 LYS 19 - HD2 LYS 26 OK 12 100 - 12 - 635/2.9=1 HE3 LYS 36 - HD3 LYS 24 OK 10 98 - 11 - HE2 LYS 19 - HD2 LYS 26 OK 10 87 - 12 - HE3 LYS 19 - HD3 LYS 26 OK 10 96 - 11 - 635/2.9=1 HE3 LYS 36 - HD2 LYS 24 OK 10 97 - 10 - HE3 LYS 36 - HD3 LYS 31 lone 10 98 - 10 - HE2 LYS 24 - HD2 LYS 26 poor 9 65 - 14 - HE3 LYS 36 - HD2 LYS 31 lone 9 97 - 9 - HE2 LYS 19 - HD3 LYS 26 poor 9 79 - 11 - HE3 LYS 86 - HD3 LYS 24 lone 8 92 - 9 - 1.8/2698=1 HE3 LYS 86 - HD2 LYS 24 lone 8 90 - 9 - 1.8/2699=1 HE2 LYS 36 - HD3 LYS 24 lone 8 81 - 10 - HE2 LYS 24 - HD3 LYS 26 poor 8 58 - 13 - HE2 LYS 36 - HD3 LYS 31 lone 7 81 - 9 - HE2 LYS 36 - HD2 LYS 24 lone 7 79 - 9 - HE2 LYS 36 - HD2 LYS 31 lone 7 79 - 9 - HE3 LYS 86 - HD3 LYS 31 lone 6 92 - 6 - HE3 LYS 86 - HD2 LYS 31 lone 6 90 - 6 - HE3 LYS 36 - HD2 LYS 26 lone 6 98 - 6 - HE3 LYS 36 - HD3 LYS 26 lone 5 92 - 5 - HE2 LYS 36 - HD2 LYS 26 lone 4 81 - 5 - HE2 LYS 36 - HD3 LYS 26 lone 4 73 - 5 - HE3 LYS 86 - HD2 LYS 26 lone 3 92 - 3 - HE3 LYS 86 - HD3 LYS 26 lone 3 84 - 3 - Peak 863 from cnoeabs.peaks (2.97, 1.66, 28.90 ppm; 2.50 A): 10 out of 66 assignments used, quality = 1.00: * HE3 LYS 31 + HD3 LYS 31 OK 75 100 - 75 - 3.0=58, 881/2.9=3...(14) HE3 LYS 31 + HD2 LYS 31 OK 75 99 - 75 - 3.0=58, 881/2.9=3...(13) HE3 LYS 26 + HD2 LYS 26 OK 73 100 - 73 - 3.0=58, 635/2.9=3...(18) HE2 LYS 26 + HD2 LYS 26 OK 73 100 - 73 - 3.0=58, 635/2.9=3...(18) HE2 LYS 31 + HD3 LYS 31 OK 73 98 - 74 - 3.0=58, 3.7/839=3...(15) HE2 LYS 31 + HD2 LYS 31 OK 72 97 - 74 - 3.0=58, 3.7/839=3...(15) HE3 LYS 26 + HD3 LYS 26 OK 69 96 - 72 - 3.0=58, 634/2.9=3...(17) HE2 LYS 26 + HD3 LYS 26 OK 69 96 - 72 - 3.0=58, 634/2.9=3...(17) HE3 LYS 24 + HD3 LYS 24 OK 62 87 - 71 - 3.0=59, 1.8/563=4...(12) HE3 LYS 24 + HD2 LYS 24 OK 60 85 - 70 - 3.0=59, 1.8/563=4...(10) HE2 LYS 26 - HD3 LYS 31 OK 28 100 - 28 - 841/2.9=2, 3.6/632=2...(5) HE3 LYS 26 - HD3 LYS 31 OK 28 100 - 28 - 841/2.9=2, 3.6/632=2...(5) HE2 LYS 26 - HD2 LYS 31 OK 27 99 - 28 - 841/2.9=2, 3.6/632=2...(5) HE3 LYS 26 - HD2 LYS 31 OK 27 99 - 28 - 841/2.9=2, 3.6/632=2...(5) HE3 LYS 31 - HD2 LYS 26 OK 24 100 - 24 - 635/2.9=2, 3.7/839=2...(5) HE3 LYS 31 - HD3 LYS 26 OK 22 96 - 23 - 634/2.9=2, 3.7/839=2...(5) HE2 LYS 31 - HD2 LYS 26 OK 22 98 - 23 - 635/2.9=2, 3.7/839=2...(4) HE2 LYS 31 - HD3 LYS 26 OK 20 92 - 22 - 634/2.9=2, 3.7/839=2...(4) HE3 LYS 19 - HD3 LYS 31 OK 18 98 - 18 - 841/2.9=1, 830/2.9=1 HE3 LYS 31 - HD3 LYS 24 OK 18 100 - 18 - 3.7/839=1, 3.7/828=1 HE3 LYS 31 - HD2 LYS 24 OK 18 99 - 18 - 3.7/839=1, 3.7/828=1 HE3 LYS 24 - HD3 LYS 31 OK 17 87 - 20 - 1.8/563=1, 841/2.9=1, 830/2.9=1 HE3 LYS 19 - HD2 LYS 31 OK 17 97 - 17 - 841/2.9=1, 830/2.9=1 HE3 LYS 19 - HD3 LYS 24 OK 17 98 - 17 - HE3 LYS 24 - HD2 LYS 31 OK 17 85 - 20 - 1.8/563=1, 841/2.9=1, 830/2.9=1 HE3 LYS 19 - HD2 LYS 24 OK 16 97 - 16 - HE2 LYS 31 - HD3 LYS 24 OK 15 98 - 16 - 3.7/839=1, 3.7/828=1 HE2 LYS 31 - HD2 LYS 24 OK 15 97 - 16 - 3.7/839=1, 3.7/828=1 HE2 LYS 26 - HD3 LYS 24 OK 14 100 - 14 - 3.6/632=1 HE3 LYS 26 - HD3 LYS 24 OK 14 100 - 14 - 3.6/632=1 HE2 LYS 26 - HD2 LYS 24 OK 14 99 - 14 - 3.6/632=1 HE3 LYS 26 - HD2 LYS 24 OK 14 99 - 14 - 3.6/632=1 HE3 LYS 24 - HD2 LYS 26 OK 12 87 - 14 - 635/2.9=1 HE2 LYS 19 - HD3 LYS 31 OK 12 65 - 18 - HE3 LYS 19 - HD2 LYS 26 OK 11 98 - 12 - 635/2.9=1 HE2 LYS 19 - HD2 LYS 31 OK 11 64 - 18 - HE3 LYS 24 - HD3 LYS 26 OK 10 79 - 13 - 635/2.9=1 HE2 LYS 19 - HD3 LYS 24 OK 10 65 - 15 - HE3 LYS 19 - HD3 LYS 26 poor 10 92 - 11 - 635/2.9=1 HE2 LYS 19 - HD2 LYS 24 poor 10 64 - 15 - HE3 LYS 36 - HD3 LYS 24 poor 9 87 - 10 - HE3 LYS 36 - HD3 LYS 31 lone 8 87 - 10 - HE3 LYS 36 - HD2 LYS 24 lone 8 85 - 10 - HE3 LYS 36 - HD2 LYS 31 lone 8 85 - 9 - HE2 LYS 19 - HD2 LYS 26 poor 7 65 - 11 - HE2 LYS 19 - HD3 LYS 26 poor 6 58 - 11 - HE3 LYS 86 - HD3 LYS 24 lone 6 73 - 9 - 1.8/2699=1 HE3 LYS 86 - HD2 LYS 24 lone 6 71 - 9 - 1.8/2699=1 HE2 LYS 36 - HD3 LYS 31 lone 5 57 - 9 - HE2 LYS 36 - HD3 LYS 24 lone 5 57 - 9 - HE3 LYS 36 - HD2 LYS 26 lone 5 87 - 6 - HE2 LYS 36 - HD2 LYS 24 lone 5 56 - 9 - HE3 LYS 86 - HD3 LYS 31 lone 5 73 - 6 - HE2 LYS 36 - HD2 LYS 31 lone 5 56 - 8 - HE3 LYS 86 - HD2 LYS 31 lone 5 71 - 6 - HE3 LYS 36 - HD3 LYS 26 lone 4 79 - 5 - HE2 LYS 36 - HD2 LYS 26 lone 3 57 - 5 - HE3 LYS 86 - HD2 LYS 26 lone 2 73 - 3 - HE2 LYS 36 - HD3 LYS 26 lone 2 51 - 4 - HE3 LYS 86 - HD3 LYS 26 lone 2 66 - 3 - HB3 ASN 121 - HD3 LYS 31 lone 1 81 - 1 - HB3 ASN 121 - HD2 LYS 31 lone 1 79 - 1 - HB3 ASN 121 - HD2 LYS 26 lone 0 81 - 1 - HB3 ASN 121 - HD3 LYS 26 lone 0 73 - 1 - HB3 ASN 121 - HD3 LYS 24 lone 0 81 - 0 - HB3 ASN 121 - HD2 LYS 24 lone 0 79 - 0 - Peak 865 from cnoeabs.peaks (8.23, 2.96, 41.80 ppm; 5.22 A): 5 out of 24 assignments used, quality = 1.00: * H LYS 31 + HE2 LYS 31 OK 87 100 - 87 - 7.1=40, 6334/3.7=21...(20) H LYS 31 + HE3 LYS 31 OK 76 87 - 87 - 7.1=40, 6334/3.7=21...(22) H LYS 31 + HE3 LYS 26 OK 51 87 - 59 - 6334/3.6=7, 6331/4.8=6...(23) H LYS 31 + HE2 LYS 26 OK 51 87 - 59 - 6334/3.6=7, 6331/4.8=6...(23) H SER 33 + HE2 LYS 31 OK 50 100 - 50 - 6364/3.7=11, 832/3.7=10...(11) H SER 33 - HE3 LYS 31 OK 43 86 - 50 - 6364/3.7=11, 832/3.7=10...(10) H LYS 31 - HE3 LYS 24 OK 42 87 - 49 - 6331/5.1=7, 6333/4.0=7...(17) H LYS 31 - HE3 LYS 19 OK 37 100 - 37 - 6333/3.8=6, 6332/5.1=5...(16) H SER 33 - HE3 LYS 36 OK 29 86 - 33 - 10855/3.0=11...(5) H LYS 31 - HE3 LYS 36 OK 27 87 - 31 - 10896/7.3=6, 6330/6.0=3...(15) H SER 107 - HE2 LYS 31 OK 27 100 - 26 - 10101/3.7=9, 821/3.7=6...(7) H SER 107 - HE3 LYS 31 OK 23 86 - 26 - 10101/3.7=9, 821/3.7=6...(7) H SER 33 - HE2 LYS 26 OK 17 86 - 20 - 4.4/10757=5, 6364/3.6=4...(7) H SER 33 - HE3 LYS 26 OK 17 86 - 20 - 4.4/10757=5, 6364/3.6=4...(7) H SER 33 - HE3 LYS 19 OK 14 100 - 14 - 6364/3.8=4, 4.4/10757=3...(5) H SER 33 - HE3 LYS 24 OK 13 86 - 15 - 6364/4.0=3, 6361/5.1=2...(7) H LYS 31 - HE3 LYS 86 poor 6 57 - 10 - 6326/4.9=3 H SER 107 - HE3 LYS 36 lone 4 86 - 5 - 10896/7.3=1 H SER 107 - HE3 LYS 26 lone 4 86 - 4 - H SER 107 - HE2 LYS 26 lone 4 86 - 4 - H SER 107 - HE3 LYS 19 lone 4 100 - 4 - H SER 107 - HE3 LYS 24 lone 3 86 - 4 - H SER 33 - HE3 LYS 86 lone 1 57 - 2 - H SER 107 - HE3 LYS 86 lone 1 57 - 2 - Peak 866 from cnoeabs.peaks (4.28, 2.96, 41.80 ppm; 3.67 A): 3 out of 112 assignments used, quality = 0.97: * HA LYS 31 + HE2 LYS 31 OK 73 100 - 73 - 6.5=18, 793/3.7=14...(28) HA LYS 36 + HE3 LYS 36 OK 68 85 - 80 - 6.0=23, 978/4.0=20...(24) HA LYS 31 + HE3 LYS 31 OK 64 87 - 74 - 6.5=18, 793/3.7=14...(26) HA LYS 31 - HE2 LYS 26 OK 43 87 - 50 - 793/3.6=5, 795/3.0=4...(19) HA LYS 31 - HE3 LYS 26 OK 43 87 - 50 - 793/3.6=5, 795/3.0=4...(19) HA LYS 19 - HE3 LYS 19 OK 38 57 - 67 - 6.4=19, 4.2/329=9...(32) HA LYS 31 - HE3 LYS 24 OK 36 87 - 42 - 792/4.0=5, 795/3.0=4...(13) HA LYS 26 - HE3 LYS 26 OK 34 57 - 60 - 6.6=17, 597/3.6=6...(26) HA LYS 26 - HE2 LYS 26 OK 34 57 - 60 - 6.6=17, 597/3.6=6...(26) HA LYS 31 - HE3 LYS 19 OK 34 100 - 34 - 792/3.8=4, 790/5.1=2...(8) HA LYS 26 - HE2 LYS 31 OK 31 73 - 42 - 833/3.7=4, 822/3.7=4...(14) HA LYS 36 - HE2 LYS 31 OK 28 99 - 28 - 833/3.7=3, 822/3.7=3...(12) HA LYS 36 - HE3 LYS 24 OK 27 85 - 32 - 977/4.0=4, 3.0/1064=3...(14) HA LYS 26 - HE3 LYS 31 OK 25 57 - 44 - 833/3.7=4, 822/3.7=4...(14) HA LYS 31 - HE3 LYS 36 OK 25 87 - 29 - 1007/4.0=3, 1018/4.0=3...(9) HA LYS 36 - HE3 LYS 31 OK 25 85 - 29 - 833/3.7=3, 822/3.7=3...(13) HA LYS 26 - HE3 LYS 19 OK 22 73 - 31 - 241/3.8=3, 4.0/634=2...(12) HA LYS 26 - HE3 LYS 24 OK 19 57 - 33 - 598/4.0=2, 4.0/634=2...(11) HA LYS 19 - HE2 LYS 31 OK 18 57 - 31 - 4.2/329=3, 833/3.7=3...(5) HA LYS 36 - HE3 LYS 19 OK 15 99 - 15 - 4.1/1015=1, 3.0/1064=1...(4) HA LYS 19 - HE3 LYS 26 OK 15 44 - 34 - 627/3.6=3, 4.2/329=3...(8) HA LYS 19 - HE2 LYS 26 OK 15 44 - 34 - 627/3.6=3, 4.2/329=3...(8) HA LYS 19 - HE3 LYS 31 OK 14 44 - 33 - 4.2/329=3, 833/3.7=3...(5) HA LYS 19 - HE3 LYS 24 OK 13 44 - 29 - 4.2/329=3, ~558=2...(8) HA LYS 36 - HE2 LYS 26 OK 12 85 - 14 - 977/3.6=3, 975/4.8=2, 627/3.6=1 HA LYS 36 - HE3 LYS 26 OK 12 85 - 14 - 977/3.6=3, 975/4.8=2, 627/3.6=1 HA LYS 26 - HE3 LYS 36 OK 11 57 - 19 - 1007/4.0=2, 1018/4.0=2...(6) HB THR 115 - HE3 LYS 36 OK 10 83 - 13 - 10191/4.0=5, 1018/4.0=2...(5) HA LYS 19 - HE3 LYS 36 poor 8 44 - 19 - 4.2/329=1, 1007/4.0=1 HB THR 115 - HE2 LYS 26 lone 6 83 - 8 - 10191/3.6=3, 11521/7.1=3 HB THR 115 - HE3 LYS 26 lone 6 83 - 8 - 10191/3.6=3, 11521/7.1=3 HA ALA 15 - HE2 LYS 31 lone 6 73 - 8 - 822/3.7=2, 833/3.7=2 HB THR 115 - HE3 LYS 24 lone 6 83 - 7 - 10191/4.0=3, 11521/7.4=1 HA ALA 108 - HE3 LYS 36 lone 5 87 - 5 - HA ALA 15 - HE3 LYS 31 lone 4 57 - 8 - 822/3.7=2, 833/3.7=2 HA ALA 108 - HE2 LYS 31 lone 4 100 - 4 - HA ALA 109 - HE2 LYS 31 lone 4 100 - 4 - HA ALA 108 - HE3 LYS 31 lone 4 87 - 4 - HA LYS 36 - HE3 LYS 86 lone 4 56 - 6 - 978/3.7=3 HA ALA 109 - HE3 LYS 31 lone 3 87 - 4 - HA ALA 109 - HE3 LYS 36 lone 3 87 - 4 - HA LEU 22 - HE3 LYS 36 lone 3 87 - 4 - 996/4.9=1 HA ARG 23 - HE3 LYS 26 lone 3 50 - 6 - 419/4.8=2, 418/4.8=2 HA ARG 23 - HE2 LYS 26 lone 3 50 - 6 - 419/4.8=2, 418/4.8=2 HA LEU 22 - HE2 LYS 31 lone 3 100 - 3 - HA ARG 23 - HE3 LYS 24 lone 3 50 - 5 - 6212/7.4=2 HA ALA 12 - HE3 LYS 19 lone 3 73 - 3 - HA LEU 22 - HE3 LYS 31 lone 2 87 - 3 - HB THR 115 - HE2 LYS 31 lone 2 98 - 2 - HA LYS 31 - HE3 LYS 86 lone 2 57 - 4 - HB THR 115 - HE3 LYS 31 lone 2 83 - 2 - HA ALA 16 - HE3 LYS 36 lone 2 86 - 2 - HB THR 115 - HE3 LYS 19 lone 2 98 - 2 - HA ALA 110 - HE2 LYS 31 lone 2 81 - 2 - HA ARG 23 - HE2 LYS 31 lone 2 65 - 2 - HA GLN 61 - HE2 LYS 31 lone 1 96 - 1 - HA ALA 110 - HE3 LYS 36 lone 1 64 - 2 - HA LEU 22 - HE3 LYS 24 lone 1 87 - 2 - HA ALA 16 - HE2 LYS 31 lone 1 100 - 1 - HA ALA 108 - HE3 LYS 26 lone 1 87 - 1 - HA ALA 108 - HE2 LYS 26 lone 1 87 - 1 - HA GLN 61 - HE3 LYS 36 lone 1 79 - 2 - HA ALA 110 - HE3 LYS 31 lone 1 64 - 2 - HA ALA 15 - HE3 LYS 36 lone 1 57 - 2 - HA LEU 22 - HE2 LYS 26 lone 1 87 - 1 - HA LEU 22 - HE3 LYS 26 lone 1 87 - 1 - HA GLN 61 - HE3 LYS 31 lone 1 79 - 1 - HA ARG 23 - HE3 LYS 31 lone 1 50 - 2 - HA ALA 16 - HE3 LYS 31 lone 1 86 - 1 - HA ALA 109 - HE3 LYS 26 lone 1 87 - 1 - HA ALA 109 - HE2 LYS 26 lone 1 87 - 1 - HA ALA 108 - HE3 LYS 24 lone 1 87 - 1 - HA ARG 23 - HE3 LYS 19 lone 1 65 - 2 - HA ALA 109 - HE3 LYS 24 lone 1 87 - 1 - HA ALA 108 - HE3 LYS 19 lone 1 100 - 1 - HA ALA 15 - HE3 LYS 24 lone 1 57 - 2 - HA GLN 61 - HE3 LYS 19 lone 1 96 - 1 - HA LEU 22 - HE3 LYS 19 lone 1 100 - 1 - HA ALA 109 - HE3 LYS 19 lone 1 100 - 1 - HA LYS 19 - HE3 LYS 86 lone 1 26 - 3 - HA LYS 26 - HE3 LYS 86 lone 1 35 - 2 - HA GLN 61 - HE3 LYS 24 lone 1 79 - 1 - HA ALA 15 - HE3 LYS 26 lone 1 57 - 1 - HA ALA 15 - HE2 LYS 26 lone 1 57 - 1 - HA ALA 16 - HE2 LYS 26 lone 1 86 - 1 - HA ALA 16 - HE3 LYS 26 lone 1 86 - 1 - HA ALA 15 - HE3 LYS 19 lone 1 73 - 1 - HA ALA 16 - HE3 LYS 19 lone 1 100 - 1 - HA ALA 12 - HE2 LYS 31 lone 1 73 - 1 - HA ALA 16 - HE3 LYS 24 lone 1 86 - 1 - HA ALA 110 - HE3 LYS 24 lone 1 64 - 1 - HA GLN 61 - HE2 LYS 26 lone 1 79 - 1 - HA GLN 61 - HE3 LYS 26 lone 1 79 - 1 - HA ALA 110 - HE3 LYS 19 lone 1 81 - 1 - HA ALA 110 - HE2 LYS 26 lone 1 64 - 1 - HA ALA 110 - HE3 LYS 26 lone 1 64 - 1 - HA ALA 12 - HE3 LYS 31 lone 0 57 - 1 - HA ALA 12 - HE3 LYS 24 lone 0 57 - 1 - HA ARG 23 - HE3 LYS 36 lone 0 50 - 1 - HA ALA 12 - HE3 LYS 36 lone 0 57 - 1 - HB THR 115 - HE3 LYS 86 lone 0 54 - 1 - HA GLN 61 - HE3 LYS 86 lone 0 51 - 1 - HA ALA 12 - HE2 LYS 26 lone 0 57 - 1 - HA ALA 12 - HE3 LYS 26 lone 0 57 - 1 - HA LEU 22 - HE3 LYS 86 lone 0 57 - 1 - HA ALA 108 - HE3 LYS 86 lone 0 57 - 1 - HA ALA 109 - HE3 LYS 86 lone 0 57 - 1 - HA ALA 16 - HE3 LYS 86 lone 0 57 - 0 - HA ALA 110 - HE3 LYS 86 lone 0 39 - 0 - HA ALA 15 - HE3 LYS 86 lone 0 35 - 1 - HA ALA 12 - HE3 LYS 86 lone 0 35 - 0 - HA ARG 23 - HE3 LYS 86 lone 0 31 - 0 - Peak 867 from cnoeabs.peaks (1.74, 2.96, 41.80 ppm; 3.41 A): 8 out of 48 assignments used, quality = 1.00: * HB2 LYS 31 + HE2 LYS 31 OK 82 100 - 82 - 4.8=35, 804/3.7=10...(40) HB2 LYS 31 + HE3 LYS 31 OK 72 87 - 83 - 4.8=35, 804/3.7=10...(44) HB2 LYS 19 + HE3 LYS 19 OK 65 81 - 81 - 5.1=30, 3.0/329=12...(44) HB2 LYS 24 + HE3 LYS 24 OK 56 79 - 71 - 5.1=30, 494/4.0=4...(36) HB2 LYS 26 + HE3 LYS 26 OK 49 64 - 77 - 4.8=36, 3.0/635=6...(37) HB2 LYS 26 + HE2 LYS 26 OK 49 64 - 77 - 4.8=36, 3.0/635=6...(37) HB2 LYS 31 + HE3 LYS 26 OK 49 87 - 57 - 804/3.6=4, 3.0/841=3...(27) HB2 LYS 31 + HE2 LYS 26 OK 49 87 - 57 - 804/3.6=4, 3.0/841=3...(27) HB2 LYS 24 - HE2 LYS 31 OK 45 96 - 47 - 823/3.7=5, 834/3.7=5...(16) HB2 LYS 24 - HE3 LYS 19 OK 43 96 - 45 - 252/3.8=4, 525/3.8=2...(27) HB2 LYS 26 - HE2 LYS 31 OK 42 81 - 52 - 834/3.7=4, 823/3.7=4...(24) HB2 LYS 31 - HE3 LYS 19 OK 42 100 - 42 - 803/3.8=3, 3.0/841=2...(18) HB2 LYS 31 - HE3 LYS 24 OK 40 87 - 46 - 803/4.0=3, 806/3.0=2...(18) HB2 LYS 24 - HE3 LYS 31 OK 39 79 - 50 - 823/3.7=5, 834/3.7=5...(17) HB2 LYS 24 - HE3 LYS 26 OK 35 79 - 44 - 628/3.6=3, 494/3.6=2...(15) HB2 LYS 24 - HE2 LYS 26 OK 35 79 - 44 - 628/3.6=3, 494/3.6=2...(15) HB2 LYS 26 - HE3 LYS 31 OK 34 64 - 54 - 834/3.7=4, 823/3.7=4...(22) HB2 LYS 19 - HE2 LYS 31 OK 32 81 - 40 - 3.0/329=4, 823/3.7=4...(9) HB2 LYS 26 - HE3 LYS 19 OK 30 81 - 37 - 252/3.8=4, 3.0/635=2...(16) HB2 LYS 19 - HE3 LYS 31 OK 27 64 - 42 - 823/3.7=4, 3.0/329=4...(10) HB2 LYS 19 - HE3 LYS 26 OK 26 64 - 40 - 3.0/329=4, 628/3.6=3...(10) HB2 LYS 19 - HE2 LYS 26 OK 26 64 - 40 - 3.0/329=4, 628/3.6=3...(10) HB2 LYS 19 - HE3 LYS 24 OK 25 64 - 40 - 3.0/329=4, ~318=3...(12) HB2 LYS 26 - HE3 LYS 24 OK 23 64 - 37 - 514/4.0=2, 3.0/634=2...(15) HB2 LYS 31 - HE3 LYS 36 OK 22 87 - 25 - 3.0/840=1, 807=1, 3.0/829=1 HB2 LYS 24 - HE3 LYS 36 OK 18 79 - 23 - ~520=1, 2.9/521=1, ~560=1 HB2 LYS 19 - HE3 LYS 36 OK 13 64 - 21 - 3.0/329=2, ~318=2 HB2 LYS 26 - HE3 LYS 36 OK 10 64 - 16 - HB ILE 80 - HE3 LYS 86 poor 8 44 - 18 - 11167/3.7=5, 11778/6.0=4...(6) HB2 LYS 31 - HE3 LYS 86 lone 3 57 - 6 - HG13 ILE 129 - HE3 LYS 86 lone 3 57 - 6 - ~11777=3, 11778/6.0=1, ~11283=1 HB ILE 80 - HE2 LYS 31 lone 2 87 - 3 - HG13 ILE 129 - HE3 LYS 26 lone 2 86 - 2 - HG13 ILE 129 - HE2 LYS 26 lone 2 86 - 2 - HG13 ILE 129 - HE2 LYS 31 lone 2 100 - 2 - HB ILE 80 - HE3 LYS 31 lone 2 70 - 3 - HB2 LYS 24 - HE3 LYS 86 lone 2 51 - 3 - HG13 ILE 129 - HE3 LYS 31 lone 1 86 - 2 - HB2 LYS 19 - HE3 LYS 86 lone 1 39 - 3 - HG13 ILE 129 - HE3 LYS 19 lone 1 100 - 1 - HG13 ILE 129 - HE3 LYS 36 lone 1 86 - 1 - HG13 ILE 129 - HE3 LYS 24 lone 1 86 - 1 - HB2 LYS 26 - HE3 LYS 86 lone 1 39 - 2 - HB ILE 80 - HE3 LYS 24 lone 1 70 - 1 - HB ILE 80 - HE2 LYS 26 lone 1 70 - 1 - HB ILE 80 - HE3 LYS 26 lone 1 70 - 1 - HB ILE 80 - HE3 LYS 36 lone 1 70 - 1 - HB ILE 80 - HE3 LYS 19 lone 1 87 - 1 - Peak 868 from cnoeabs.peaks (1.81, 2.96, 41.80 ppm; 3.24 A): 7 out of 72 assignments used, quality = 1.00: HB3 LYS 19 + HE3 LYS 19 OK 78 100 - 78 - 5.1=26, 263/3.8=11...(42) * HB3 LYS 31 + HE2 LYS 31 OK 75 100 - 75 - 4.8=30, 815/3.7=7...(37) HB3 LYS 31 + HE3 LYS 31 OK 67 87 - 77 - 4.8=30, 815/3.7=7...(37) HB2 LYS 36 + HE3 LYS 36 OK 61 75 - 82 - 4.9=28, 989/4.0=13...(37) HB3 LYS 24 + HE3 LYS 24 OK 57 85 - 67 - 5.1=26, 515/4.0=4...(32) HB3 LYS 26 + HE2 LYS 26 OK 48 64 - 75 - 4.8=31, 619/3.6=7...(38) HB3 LYS 26 + HE3 LYS 26 OK 48 64 - 75 - 4.8=31, 619/3.6=7...(38) HB3 LYS 31 - HE2 LYS 26 OK 44 87 - 51 - 3.0/841=3, 3.0/830=3...(23) HB3 LYS 31 - HE3 LYS 26 OK 44 87 - 51 - 3.0/841=3, 3.0/830=3...(23) HB3 LYS 24 - HE3 LYS 19 OK 44 99 - 44 - 263/3.8=5, 306/2.9=3...(24) HB3 LYS 24 - HE2 LYS 31 OK 43 99 - 43 - 835/3.7=4, 824/3.7=4...(16) HB3 LYS 26 - HE2 LYS 31 OK 39 81 - 49 - 835/3.7=3, 3.0/635=3...(20) HB3 LYS 24 - HE3 LYS 31 OK 39 85 - 46 - 835/3.7=4, 824/3.7=4...(14) HB3 LYS 19 - HE2 LYS 31 OK 38 100 - 38 - 3.0/329=4, 835/3.7=3...(12) HB3 LYS 31 - HE3 LYS 19 OK 38 100 - 38 - 263/3.8=5, 265/2.9=3...(16) HB3 LYS 19 - HE3 LYS 31 OK 34 87 - 40 - 3.0/329=3, 835/3.7=3...(12) HB3 LYS 24 - HE3 LYS 26 OK 34 85 - 41 - 505/3.6=2, 619/3.6=2...(11) HB3 LYS 24 - HE2 LYS 26 OK 34 85 - 41 - 505/3.6=2, 619/3.6=2...(11) HB3 LYS 31 - HE3 LYS 24 OK 34 87 - 40 - 3.0/840=2, ~558=2...(14) HB3 LYS 19 - HE2 LYS 26 OK 33 87 - 38 - 3.0/329=3, 815/3.6=2...(12) HB3 LYS 19 - HE3 LYS 26 OK 33 87 - 38 - 3.0/329=3, 815/3.6=2...(12) HB3 LYS 26 - HE3 LYS 31 OK 32 64 - 50 - 3.0/635=3, 835/3.7=3...(17) HB3 LYS 19 - HE3 LYS 24 OK 32 87 - 37 - 3.0/329=4, ~318=3...(15) HB3 LYS 26 - HE3 LYS 19 OK 29 81 - 37 - 273/3.8=3, 306/2.9=2...(17) HB ILE 32 - HE2 LYS 31 OK 29 87 - 33 - ~10757=5, ~10840=5...(11) HB2 LYS 36 - HE3 LYS 24 OK 27 75 - 36 - 1.8/1064=3, ~1053=3...(18) HB ILE 32 - HE3 LYS 31 OK 24 70 - 34 - 2.1/10757=6, ~10757=3...(13) HB2 LYS 36 - HE2 LYS 31 OK 24 92 - 26 - 1.8/1064=2, 835/3.7=2...(9) HB3 LYS 26 - HE3 LYS 24 OK 22 64 - 35 - 3.0/634=2, 515/4.0=2...(11) HB2 LYS 36 - HE3 LYS 31 OK 21 75 - 28 - 835/3.7=2, ~1064=2...(12) HB3 LYS 31 - HE3 LYS 36 OK 21 87 - 24 - 1019/4.0=2, 1008/4.0=2...(7) HB3 LYS 24 - HE3 LYS 36 OK 20 85 - 24 - 1008/4.0=2, 1019/4.0=2...(7) HB2 LYS 36 - HE3 LYS 19 OK 19 92 - 21 - 3.0/1015=1, ~1053=1...(5) HB3 LYS 19 - HE3 LYS 36 OK 18 87 - 20 - 3.0/329=2, ~318=1 HB ILE 32 - HE3 LYS 26 OK 16 70 - 23 - 2.1/10757=4, ~10757=3...(8) HB ILE 32 - HE2 LYS 26 OK 16 70 - 23 - 2.1/10757=4, ~10757=3...(8) HB ILE 32 - HE3 LYS 19 OK 15 87 - 17 - 900/3.8=2, 2.1/10757=2...(6) HB ILE 32 - HE3 LYS 36 OK 13 70 - 18 - ~10837=3, 3.2/10903=2...(8) HB3 LYS 26 - HE3 LYS 36 OK 12 64 - 19 - 1008/4.0=2, 1019/4.0=2...(4) HB2 LYS 36 - HE3 LYS 26 poor 9 75 - 11 - 988/3.6=2 HB2 LYS 36 - HE2 LYS 26 poor 9 75 - 11 - 988/3.6=2 HB ILE 32 - HE3 LYS 24 lone 6 70 - 9 - 900/4.0=1, 3.2/10903=1 HB3 LEU 123 - HE3 LYS 19 lone 5 61 - 9 - 3.2/10705=3 HB3 LEU 123 - HE3 LYS 36 lone 4 47 - 9 - 3.2/10705=3, 1008/4.0=1 HB2 LYS 36 - HE3 LYS 86 lone 4 48 - 9 - ~2697=2, 989/3.7=2 HB3 LEU 123 - HE3 LYS 26 lone 3 47 - 6 - 3.2/10705=1 HB3 LEU 123 - HE2 LYS 26 lone 3 47 - 6 - 3.2/10705=1 HB3 LYS 31 - HE3 LYS 86 lone 3 57 - 5 - HB3 LYS 24 - HE3 LYS 86 lone 1 56 - 3 - HB3 LYS 19 - HE3 LYS 86 lone 1 57 - 2 - HB3 LEU 123 - HE2 LYS 31 lone 1 61 - 1 - HB3 ARG 135 - HE3 LYS 36 lone 1 70 - 1 - HB2 ARG 84 - HE2 LYS 31 lone 1 98 - 1 - HB3 LYS 26 - HE3 LYS 86 lone 1 39 - 2 - HB3 LEU 123 - HE3 LYS 24 lone 1 47 - 2 - HB3 ARG 135 - HE2 LYS 31 lone 1 87 - 1 - HB2 ARG 84 - HE3 LYS 19 lone 1 98 - 1 - HB3 LEU 123 - HE3 LYS 31 lone 1 47 - 1 - HB2 ARG 84 - HE3 LYS 31 lone 1 83 - 1 - HB3 ARG 135 - HE3 LYS 19 lone 1 87 - 1 - HB3 ARG 135 - HE3 LYS 31 lone 1 70 - 1 - HB3 ARG 135 - HE2 LYS 26 lone 0 70 - 1 - HB3 ARG 135 - HE3 LYS 26 lone 0 70 - 1 - HB3 ARG 135 - HE3 LYS 24 lone 0 70 - 1 - HB2 ARG 84 - HE3 LYS 36 lone 0 83 - 0 - HB2 ARG 84 - HE3 LYS 24 lone 0 83 - 0 - HB2 ARG 84 - HE3 LYS 26 lone 0 83 - 0 - HB2 ARG 84 - HE2 LYS 26 lone 0 83 - 0 - HB3 LEU 123 - HE3 LYS 86 lone 0 28 - 1 - HB ILE 32 - HE3 LYS 86 lone 0 44 - 1 - HB2 ARG 84 - HE3 LYS 86 lone 0 54 - 0 - HB3 ARG 135 - HE3 LYS 86 lone 0 44 - 0 - Peak 869 from cnoeabs.peaks (1.44, 2.96, 41.80 ppm; 2.64 A): 4 out of 40 assignments used, quality = 0.98: HG3 LYS 19 + HE3 LYS 19 OK 71 99 - 72 - 3.8=33, 1.8/329=11...(22) * HG2 LYS 31 + HE2 LYS 31 OK 65 100 - 65 - 3.7=37, 1.8/870=5...(17) HG2 LYS 31 + HE3 LYS 31 OK 58 87 - 67 - 3.7=37, 1.8/841=4...(15) HG3 LYS 24 + HE3 LYS 24 OK 46 79 - 59 - 4.0=29, 531/1.8=3...(17) HG2 LYS 26 - HE2 LYS 26 OK 33 50 - 66 - 3.6=39, 1.8/646=4...(15) HG2 LYS 26 - HE3 LYS 26 OK 33 50 - 66 - 3.6=39, 1.8/646=4...(15) HG2 LYS 31 - HE3 LYS 26 OK 31 87 - 36 - 1.8/841=3, 826/3.6=2...(14) HG2 LYS 31 - HE2 LYS 26 OK 31 87 - 36 - 1.8/841=3, 826/3.6=2...(14) HG3 LYS 24 - HE3 LYS 19 OK 31 96 - 32 - 285/3.8=4, 308/2.9=3...(8) HG3 LYS 24 - HE2 LYS 31 OK 28 96 - 30 - 836/3.7=3, 530/3.0=1...(7) HG2 LYS 31 - HE3 LYS 19 OK 26 100 - 26 - 275/3.8=3, 308/2.9=2...(8) HG3 LYS 19 - HE2 LYS 31 OK 25 99 - 26 - 1.8/329=4, 836/3.7=2...(8) HG3 LYS 24 - HE3 LYS 31 OK 25 79 - 32 - 836/3.7=3, 530/3.0=1...(7) HG2 LYS 31 - HE3 LYS 24 OK 24 87 - 27 - 828/3.0=2, 828/3.0=2...(8) HG3 LYS 19 - HE3 LYS 24 OK 23 85 - 27 - 1.8/329=4, ~318=3...(9) HG3 LYS 19 - HE3 LYS 31 OK 22 85 - 26 - 1.8/329=4, 836/3.7=2...(8) HG3 LYS 24 - HE2 LYS 26 OK 22 79 - 28 - 527/3.6=2, 530/3.0=1...(6) HG3 LYS 24 - HE3 LYS 26 OK 22 79 - 28 - 527/3.6=2, 530/3.0=1...(6) HG3 LYS 19 - HE2 LYS 26 OK 21 85 - 25 - 1.8/329=3, ~329=2...(6) HG3 LYS 19 - HE3 LYS 26 OK 21 85 - 25 - 1.8/329=3, ~329=2...(6) HG2 LYS 26 - HE2 LYS 31 OK 20 65 - 31 - 836/3.7=2, 1.8/646=2...(9) HG13 ILE 32 - HE2 LYS 31 OK 18 98 - 19 - 2.1/10804=3, 3.2/10757=2...(8) HG13 ILE 32 - HE3 LYS 31 OK 17 83 - 21 - 3.2/10757=3, 2.1/10804=2...(9) HG2 LYS 26 - HE3 LYS 31 OK 17 50 - 34 - 1.8/645=2, 836/3.7=2...(9) HG3 LYS 24 - HE3 LYS 36 OK 13 79 - 17 - ~520=1 HG2 LYS 26 - HE3 LYS 19 OK 13 65 - 20 - 1.8/646=1 HG3 LYS 19 - HE3 LYS 36 OK 11 85 - 13 - 1.8/329=2, ~318=1 HG2 LYS 31 - HE3 LYS 36 OK 11 87 - 13 - HG13 ILE 32 - HE2 LYS 26 OK 11 83 - 13 - 2.1/10804=2, 3.2/10757=2...(7) HG13 ILE 32 - HE3 LYS 26 OK 11 83 - 13 - 2.1/10804=2, 3.2/10757=2...(7) HG2 LYS 26 - HE3 LYS 24 OK 11 50 - 22 - 631/4.0=1, ~560=1...(5) HG13 ILE 32 - HE3 LYS 19 OK 10 98 - 11 - 2.1/10804=2, 275/3.8=1...(4) HG13 ILE 32 - HE3 LYS 36 lone 7 83 - 8 - 2.1/10903=2, ~10842=1 HG2 LYS 26 - HE3 LYS 36 lone 5 50 - 10 - HG13 ILE 32 - HE3 LYS 24 lone 4 83 - 5 - HG2 LYS 31 - HE3 LYS 86 lone 2 57 - 3 - HG3 LYS 24 - HE3 LYS 86 lone 1 51 - 3 - HG3 LYS 19 - HE3 LYS 86 lone 1 56 - 1 - HG2 LYS 26 - HE3 LYS 86 lone 0 31 - 1 - HG13 ILE 32 - HE3 LYS 86 lone 0 54 - 0 - Peak 870 from cnoeabs.peaks (1.39, 2.96, 41.80 ppm; 2.67 A): 4 out of 80 assignments used, quality = 0.95: * HG3 LYS 31 + HE2 LYS 31 OK 69 100 - 69 - 3.7=38, 839/3.0=5...(16) HG3 LYS 31 + HE3 LYS 31 OK 61 87 - 71 - 3.7=38, 839/3.0=5...(17) HG3 LYS 26 + HE3 LYS 26 OK 34 50 - 67 - 3.6=40, 1.8/634=5...(18) HG3 LYS 26 + HE2 LYS 26 OK 34 50 - 67 - 3.6=40, 1.8/634=5...(18) HG3 LYS 31 - HE2 LYS 26 OK 32 87 - 37 - 841=3, 841/1.8=3...(12) HG3 LYS 31 - HE3 LYS 26 OK 32 87 - 37 - 841=3, 841/1.8=3...(12) HG3 LYS 31 - HE3 LYS 24 OK 26 87 - 30 - 839/3.0=2, 839/3.0=2...(9) HG3 LYS 31 - HE3 LYS 19 OK 26 100 - 26 - 836/3.8=2, 841=2...(7) HG3 LYS 26 - HE2 LYS 31 OK 22 65 - 33 - 1.8/635=3, 826/3.7=2...(11) HG3 LYS 26 - HE3 LYS 31 OK 17 50 - 34 - 1.8/635=3, 826/3.7=2...(11) HG3 LYS 31 - HE3 LYS 36 OK 12 87 - 14 - 840=1 HG3 LYS 26 - HE3 LYS 19 OK 12 65 - 18 - 1.8/634=2 HG3 LYS 26 - HE3 LYS 24 poor 9 50 - 18 - 1.8/634=2 HG2 LYS 95 - HE2 LYS 31 lone 6 98 - 6 - 826/3.7=1 HG3 LYS 95 - HE2 LYS 31 lone 5 92 - 6 - HG2 LYS 95 - HE3 LYS 31 lone 5 83 - 6 - 826/3.7=1 HG3 LYS 95 - HE3 LYS 31 lone 4 75 - 6 - HG3 LYS 26 - HE3 LYS 36 lone 4 50 - 8 - HG LEU 96 - HE2 LYS 31 lone 4 81 - 5 - HG LEU 96 - HE3 LYS 31 lone 3 64 - 5 - HG2 LYS 95 - HE2 LYS 26 lone 2 83 - 2 - HG2 LYS 95 - HE3 LYS 26 lone 2 83 - 2 - QB ALA 15 - HE2 LYS 31 lone 2 73 - 3 - QB ALA 109 - HE2 LYS 31 lone 2 99 - 2 - HG3 LYS 31 - HE3 LYS 86 lone 2 57 - 3 - HG3 LYS 95 - HE2 LYS 26 lone 2 75 - 2 - HG3 LYS 95 - HE3 LYS 26 lone 2 75 - 2 - QB ALA 109 - HE3 LYS 31 lone 2 85 - 2 - HG2 LYS 95 - HE3 LYS 24 lone 2 83 - 2 - QB ALA 15 - HE3 LYS 31 lone 2 57 - 3 - QB ALA 108 - HE2 LYS 31 lone 2 87 - 2 - HG3 LYS 95 - HE3 LYS 24 lone 1 75 - 2 - HG LEU 96 - HE3 LYS 36 lone 1 64 - 2 - QB ALA 108 - HE3 LYS 31 lone 1 70 - 2 - HG LEU 96 - HE3 LYS 24 lone 1 64 - 2 - HG LEU 96 - HE2 LYS 26 lone 1 64 - 2 - HG LEU 96 - HE3 LYS 26 lone 1 64 - 2 - QB ALA 28 - HE2 LYS 31 lone 1 81 - 1 - QB ALA 109 - HE3 LYS 36 lone 1 85 - 1 - QB ALA 108 - HE3 LYS 36 lone 1 70 - 1 - HG2 LYS 95 - HE3 LYS 19 lone 1 98 - 1 - QB ALA 28 - HE3 LYS 31 lone 1 64 - 1 - QB ALA 28 - HE2 LYS 26 lone 1 64 - 1 - QB ALA 28 - HE3 LYS 26 lone 1 64 - 1 - HG3 LYS 95 - HE3 LYS 19 lone 1 92 - 1 - HG2 LYS 95 - HE3 LYS 36 lone 1 83 - 1 - HG LEU 96 - HE3 LYS 19 lone 1 81 - 1 - QB ALA 110 - HE2 LYS 31 lone 1 73 - 1 - QB ALA 28 - HE3 LYS 36 lone 0 64 - 1 - QB ALA 109 - HE3 LYS 26 lone 0 85 - 1 - QB ALA 109 - HE2 LYS 26 lone 0 85 - 1 - HG3 LYS 26 - HE3 LYS 86 lone 0 31 - 1 - HG3 LYS 95 - HE3 LYS 36 lone 0 75 - 1 - QB ALA 108 - HE2 LYS 26 lone 0 70 - 1 - QB ALA 108 - HE3 LYS 26 lone 0 70 - 1 - QB ALA 110 - HE3 LYS 31 lone 0 57 - 1 - QB ALA 109 - HE3 LYS 19 lone 0 99 - 0 - QB ALA 28 - HE3 LYS 24 lone 0 64 - 1 - QB ALA 109 - HE3 LYS 24 lone 0 85 - 0 - HG2 LYS 95 - HE3 LYS 86 lone 0 54 - 1 - QB ALA 108 - HE3 LYS 19 lone 0 87 - 0 - HG3 LYS 95 - HE3 LYS 86 lone 0 48 - 1 - QB ALA 108 - HE3 LYS 24 lone 0 70 - 0 - QB ALA 15 - HE3 LYS 36 lone 0 57 - 1 - QB ALA 110 - HE3 LYS 36 lone 0 57 - 0 - QB ALA 15 - HE2 LYS 26 lone 0 57 - 0 - QB ALA 15 - HE3 LYS 26 lone 0 57 - 0 - QB ALA 15 - HE3 LYS 19 lone 0 73 - 0 - QB ALA 15 - HE3 LYS 24 lone 0 57 - 0 - QB ALA 28 - HE3 LYS 19 lone 0 81 - 0 - QB ALA 110 - HE3 LYS 19 lone 0 73 - 0 - HG LEU 96 - HE3 LYS 86 lone 0 39 - 1 - QB ALA 110 - HE2 LYS 26 lone 0 57 - 0 - QB ALA 110 - HE3 LYS 26 lone 0 57 - 0 - QB ALA 110 - HE3 LYS 24 lone 0 57 - 0 - QB ALA 109 - HE3 LYS 86 lone 0 56 - 0 - QB ALA 108 - HE3 LYS 86 lone 0 44 - 0 - QB ALA 28 - HE3 LYS 86 lone 0 39 - 0 - QB ALA 15 - HE3 LYS 86 lone 0 35 - 0 - QB ALA 110 - HE3 LYS 86 lone 0 35 - 0 - Peak 871 from cnoeabs.peaks (1.66, 2.96, 41.80 ppm; 2.50 A): 10 out of 120 assignments used, quality = 1.00: * HD2 LYS 31 + HE2 LYS 31 OK 74 100 - 74 - 3.0=58, 839/3.7=3...(11) HD3 LYS 31 + HE2 LYS 31 OK 74 100 - 74 - 3.0=58, 839/3.7=3...(11) HD2 LYS 31 + HE3 LYS 31 OK 65 87 - 75 - 3.0=58, 839/3.7=3...(12) HD3 LYS 31 + HE3 LYS 31 OK 64 86 - 74 - 3.0=58, 839/3.7=3...(12) HD2 LYS 26 + HE3 LYS 26 OK 62 86 - 72 - 3.0=58, 2.9/634=3...(12) HD2 LYS 26 + HE2 LYS 26 OK 62 86 - 72 - 3.0=58, 2.9/634=3...(12) HD2 LYS 24 + HE3 LYS 24 OK 61 87 - 70 - 3.0=59, 542/1.8=3...(10) HD3 LYS 24 + HE3 LYS 24 OK 60 86 - 70 - 3.0=59, 542/1.8=3...(10) HD3 LYS 26 + HE2 LYS 26 OK 59 83 - 72 - 3.0=58, 2.9/634=3...(12) HD3 LYS 26 + HE3 LYS 26 OK 59 83 - 72 - 3.0=58, 2.9/634=3...(12) HD2 LYS 36 - HE3 LYS 36 OK 38 50 - 76 - 3.0=58, 1.8/1048=5...(26) HD3 LYS 36 - HE3 LYS 36 OK 38 50 - 76 - 3.0=58, 1.8/1048=5...(26) HD3 LYS 86 - HE3 LYS 86 OK 36 56 - 65 - 3.0=60, 2666/3.7=4...(6) HD2 LYS 86 - HE3 LYS 86 OK 36 56 - 65 - 3.0=60, 2666/3.7=4...(6) HD2 LYS 31 - HE2 LYS 26 OK 23 87 - 27 - 632/3.6=2, 2.9/841=2...(5) HD2 LYS 31 - HE3 LYS 26 OK 23 87 - 27 - 632/3.6=2, 2.9/841=2...(5) HD3 LYS 31 - HE3 LYS 26 OK 23 86 - 27 - 632/3.6=2, 2.9/841=2...(5) HD3 LYS 31 - HE2 LYS 26 OK 23 86 - 27 - 632/3.6=2, 2.9/841=2...(5) HD2 LYS 26 - HE2 LYS 31 OK 21 100 - 21 - 2.9/635=2, 839/3.7=2...(4) HD3 LYS 26 - HE2 LYS 31 OK 21 98 - 22 - 2.9/635=2, 839/3.7=2...(4) HD2 LYS 26 - HE3 LYS 31 OK 19 86 - 22 - 2.9/634=2, 839/3.7=2...(4) HD3 LYS 26 - HE3 LYS 31 OK 18 83 - 22 - 2.9/634=2, 839/3.7=2...(4) HD2 LYS 31 - HE3 LYS 19 OK 17 100 - 17 - 2.9/841=1, 2.9/830=1 HD3 LYS 31 - HE3 LYS 19 OK 17 100 - 17 - 2.9/841=1, 2.9/830=1 HD2 LYS 31 - HE3 LYS 24 OK 16 87 - 19 - 2.9/840=1, 2.9/829=1 HD3 LYS 31 - HE3 LYS 24 OK 16 86 - 19 - 2.9/840=1, 2.9/829=1 HD2 LYS 24 - HE3 LYS 19 OK 16 100 - 16 - HD3 LYS 24 - HE3 LYS 19 OK 16 100 - 16 - HD2 LYS 24 - HE2 LYS 31 OK 15 100 - 15 - 839/3.7=1, 828/3.7=1 HD3 LYS 24 - HE2 LYS 31 OK 15 100 - 15 - 839/3.7=1, 828/3.7=1 HD2 LYS 24 - HE3 LYS 31 OK 14 87 - 17 - 839/3.7=1, 828/3.7=1 HD3 LYS 24 - HE3 LYS 31 OK 14 86 - 17 - 839/3.7=1, 828/3.7=1 HD3 LYS 86 - HE3 LYS 24 OK 12 85 - 15 - 3.0/2668=1, 3.0/2657=1 HD2 LYS 86 - HE3 LYS 24 OK 12 85 - 15 - 3.0/2668=1, 3.0/2657=1 HD2 LYS 86 - HE3 LYS 36 OK 12 85 - 14 - 3.0/2668=1, 3.0/2657=1...(4) HD3 LYS 86 - HE3 LYS 36 OK 12 85 - 14 - 3.0/2668=1, 3.0/2657=1...(4) HD2 LYS 24 - HE3 LYS 26 OK 12 87 - 14 - 632/3.6=1 HD2 LYS 24 - HE2 LYS 26 OK 12 87 - 14 - 632/3.6=1 HD3 LYS 24 - HE2 LYS 26 OK 12 86 - 14 - 632/3.6=1 HD3 LYS 24 - HE3 LYS 26 OK 12 86 - 14 - 632/3.6=1 HD2 LYS 26 - HE3 LYS 24 OK 11 86 - 13 - 2.9/634=1 HD2 LYS 26 - HE3 LYS 19 OK 11 100 - 11 - 2.9/635=1 HD3 LYS 26 - HE3 LYS 24 OK 10 83 - 13 - 2.9/634=1 HD3 LYS 26 - HE3 LYS 19 OK 10 98 - 11 - 2.9/635=1 HD2 LYS 24 - HE3 LYS 36 lone 8 87 - 10 - HD3 LYS 24 - HE3 LYS 36 lone 8 86 - 9 - HD2 LYS 31 - HE3 LYS 36 lone 8 87 - 9 - HD3 LYS 31 - HE3 LYS 36 lone 8 86 - 9 - HD2 LYS 36 - HE3 LYS 24 poor 7 50 - 15 - 3.0/1015=1, 3.0/1026=1...(4) HD3 LYS 36 - HE3 LYS 24 poor 7 50 - 15 - 3.0/1015=1, 3.0/1026=1...(4) HD2 LYS 86 - HE2 LYS 31 lone 7 99 - 6 - HD3 LYS 86 - HE2 LYS 31 lone 7 99 - 6 - HD3 LYS 86 - HE3 LYS 19 lone 6 99 - 6 - HD2 LYS 86 - HE3 LYS 19 lone 6 99 - 6 - HD2 LYS 86 - HE3 LYS 31 lone 6 85 - 7 - HD3 LYS 86 - HE3 LYS 31 lone 6 85 - 7 - HD3 LYS 36 - HE3 LYS 19 lone 6 65 - 9 - HD2 LYS 36 - HE3 LYS 19 lone 6 65 - 9 - HD3 LYS 36 - HE2 LYS 31 lone 5 65 - 8 - HD2 LYS 36 - HE2 LYS 31 lone 5 65 - 8 - HD2 LYS 24 - HE3 LYS 86 lone 5 57 - 8 - 2699/1.8=1 HD3 LYS 24 - HE3 LYS 86 lone 5 57 - 8 - 2699/1.8=1 HD2 LYS 36 - HE3 LYS 31 lone 5 50 - 9 - HD3 LYS 36 - HE3 LYS 31 lone 5 50 - 9 - HD2 LYS 26 - HE3 LYS 36 lone 4 86 - 5 - HD3 LYS 26 - HE3 LYS 36 lone 4 83 - 5 - HD2 LYS 31 - HE3 LYS 86 lone 3 57 - 6 - HD3 LYS 31 - HE3 LYS 86 lone 3 57 - 6 - HD3 LYS 95 - HE2 LYS 31 lone 3 99 - 3 - HD2 LYS 86 - HE3 LYS 26 lone 3 85 - 3 - HD2 LYS 86 - HE2 LYS 26 lone 3 85 - 3 - HD3 LYS 86 - HE2 LYS 26 lone 3 85 - 3 - HD3 LYS 86 - HE3 LYS 26 lone 3 85 - 3 - HD3 LYS 95 - HE3 LYS 31 lone 2 85 - 3 - HD2 LYS 95 - HE2 LYS 31 lone 2 81 - 3 - HD3 LYS 36 - HE2 LYS 26 lone 2 50 - 4 - HD3 LYS 36 - HE3 LYS 26 lone 2 50 - 4 - HD2 LYS 36 - HE2 LYS 26 lone 2 50 - 4 - HD2 LYS 36 - HE3 LYS 26 lone 2 50 - 4 - HB2 LEU 69 - HE3 LYS 36 lone 2 57 - 3 - QB ALA 88 - HE3 LYS 86 lone 2 57 - 3 - HD2 LYS 26 - HE3 LYS 86 lone 2 57 - 3 - HD3 LYS 26 - HE3 LYS 86 lone 2 54 - 3 - HD2 LYS 95 - HE3 LYS 31 lone 2 64 - 3 - HD2 LYS 36 - HE3 LYS 86 lone 2 31 - 6 - ~2697=1 HD3 LYS 36 - HE3 LYS 86 lone 2 31 - 6 - ~2697=1 HD3 LYS 95 - HE2 LYS 26 lone 1 85 - 1 - HD3 LYS 95 - HE3 LYS 26 lone 1 85 - 1 - HB2 LEU 69 - HE2 LYS 31 lone 1 73 - 1 - HD3 LYS 95 - HE3 LYS 24 lone 1 85 - 1 - HB2 LEU 69 - HE3 LYS 24 lone 1 57 - 2 - HD2 LYS 95 - HE2 LYS 26 lone 1 64 - 1 - HD2 LYS 95 - HE3 LYS 26 lone 1 64 - 1 - HB2 LEU 69 - HE3 LYS 31 lone 1 57 - 1 - HD2 LYS 95 - HE3 LYS 24 lone 1 64 - 1 - HB2 LEU 98 - HE2 LYS 31 lone 1 65 - 1 - HD3 LYS 95 - HE3 LYS 86 lone 1 56 - 1 - HB2 LEU 98 - HE3 LYS 19 lone 1 65 - 1 - HB2 LEU 98 - HE3 LYS 26 lone 1 50 - 1 - HB2 LEU 98 - HE2 LYS 26 lone 1 50 - 1 - HD3 LYS 95 - HE3 LYS 19 lone 0 99 - 0 - QB ALA 88 - HE2 LYS 26 lone 0 87 - 0 - QB ALA 88 - HE3 LYS 26 lone 0 87 - 0 - QB ALA 88 - HE2 LYS 31 lone 0 100 - 0 - HB2 LEU 98 - HE3 LYS 31 lone 0 50 - 1 - QB ALA 88 - HE3 LYS 24 lone 0 87 - 0 - HD3 LYS 95 - HE3 LYS 36 lone 0 85 - 0 - QB ALA 88 - HE3 LYS 31 lone 0 87 - 0 - HD2 LYS 95 - HE3 LYS 86 lone 0 39 - 1 - HB2 LEU 98 - HE3 LYS 24 lone 0 50 - 1 - HD2 LYS 95 - HE3 LYS 19 lone 0 81 - 0 - QB ALA 88 - HE3 LYS 36 lone 0 87 - 0 - QB ALA 88 - HE3 LYS 19 lone 0 100 - 0 - HD2 LYS 95 - HE3 LYS 36 lone 0 64 - 0 - HB2 LEU 69 - HE2 LYS 26 lone 0 57 - 0 - HB2 LEU 69 - HE3 LYS 26 lone 0 57 - 0 - HB2 LEU 69 - HE3 LYS 19 lone 0 73 - 0 - HB2 LEU 98 - HE3 LYS 86 lone 0 31 - 1 - HB2 LEU 98 - HE3 LYS 36 lone 0 50 - 0 - HB2 LEU 69 - HE3 LYS 86 lone 0 35 - 0 - Peak 872 from cnoeabs.peaks (1.66, 2.96, 41.80 ppm; 2.50 A): 10 out of 104 assignments used, quality = 1.00: * HD3 LYS 31 + HE2 LYS 31 OK 74 100 - 74 - 3.0=58, 839/3.7=3...(11) HD2 LYS 31 + HE2 LYS 31 OK 74 100 - 74 - 3.0=58, 839/3.7=3...(11) HD3 LYS 31 + HE3 LYS 31 OK 65 87 - 74 - 3.0=58, 839/3.7=3...(12) HD2 LYS 31 + HE3 LYS 31 OK 64 86 - 75 - 3.0=58, 839/3.7=3...(12) HD2 LYS 26 + HE3 LYS 26 OK 62 87 - 72 - 3.0=58, 2.9/634=3...(12) HD2 LYS 26 + HE2 LYS 26 OK 62 87 - 72 - 3.0=58, 2.9/634=3...(12) HD3 LYS 26 + HE3 LYS 26 OK 61 85 - 72 - 3.0=58, 2.9/635=3...(12) HD3 LYS 26 + HE2 LYS 26 OK 61 85 - 72 - 3.0=58, 2.9/635=3...(12) HD3 LYS 24 + HE3 LYS 24 OK 61 87 - 70 - 3.0=59, 542/1.8=3...(10) HD2 LYS 24 + HE3 LYS 24 OK 60 86 - 70 - 3.0=59, 542/1.8=3...(10) HD3 LYS 86 - HE3 LYS 86 OK 37 57 - 65 - 3.0=60, 2666/3.7=4...(6) HD2 LYS 86 - HE3 LYS 86 OK 37 57 - 65 - 3.0=60, 2666/3.7=4...(6) HD3 LYS 31 - HE2 LYS 26 OK 23 87 - 27 - 632/3.6=2, 2.9/841=2...(5) HD3 LYS 31 - HE3 LYS 26 OK 23 87 - 27 - 632/3.6=2, 2.9/841=2...(5) HD2 LYS 31 - HE2 LYS 26 OK 23 86 - 27 - 632/3.6=2, 2.9/841=2...(5) HD2 LYS 31 - HE3 LYS 26 OK 23 86 - 27 - 632/3.6=2, 2.9/841=2...(5) HD3 LYS 26 - HE2 LYS 31 OK 21 99 - 22 - 2.9/634=2, 839/3.7=2...(4) HD2 LYS 26 - HE2 LYS 31 OK 21 100 - 22 - 2.9/635=2, 839/3.7=2...(4) HD2 LYS 26 - HE3 LYS 31 OK 19 87 - 22 - 2.9/635=2, 839/3.7=2...(4) HD3 LYS 26 - HE3 LYS 31 OK 19 85 - 22 - 2.9/634=2, 839/3.7=2...(4) HD2 LYS 31 - HE3 LYS 19 OK 17 100 - 17 - 2.9/841=1, 2.9/830=1 HD3 LYS 31 - HE3 LYS 19 OK 17 100 - 17 - 2.9/841=1, 2.9/830=1 HD3 LYS 31 - HE3 LYS 24 OK 16 87 - 19 - 2.9/840=1, 2.9/829=1 HD2 LYS 31 - HE3 LYS 24 OK 16 86 - 19 - 2.9/840=1, 2.9/829=1 HD2 LYS 24 - HE3 LYS 19 OK 16 100 - 16 - HD3 LYS 24 - HE3 LYS 19 OK 16 100 - 16 - HD2 LYS 24 - HE2 LYS 31 OK 15 100 - 15 - 839/3.7=1, 828/3.7=1 HD3 LYS 24 - HE2 LYS 31 OK 15 100 - 15 - 839/3.7=1, 828/3.7=1 HD3 LYS 24 - HE3 LYS 31 OK 14 87 - 17 - 839/3.7=1, 828/3.7=1 HD2 LYS 24 - HE3 LYS 31 OK 14 86 - 17 - 839/3.7=1, 828/3.7=1 HD2 LYS 86 - HE3 LYS 24 OK 12 86 - 15 - 3.0/2668=1, 3.0/2657=1...(5) HD3 LYS 86 - HE3 LYS 24 OK 12 86 - 15 - 3.0/2668=1, 3.0/2657=1...(5) HD3 LYS 86 - HE3 LYS 36 OK 12 86 - 14 - 3.0/2668=1, 3.0/2657=1...(5) HD2 LYS 86 - HE3 LYS 36 OK 12 86 - 14 - 3.0/2668=1, 3.0/2657=1...(5) HD3 LYS 24 - HE3 LYS 26 OK 12 87 - 14 - 632/3.6=1 HD3 LYS 24 - HE2 LYS 26 OK 12 87 - 14 - 632/3.6=1 HD2 LYS 24 - HE2 LYS 26 OK 12 86 - 14 - 632/3.6=1 HD2 LYS 24 - HE3 LYS 26 OK 12 86 - 14 - 632/3.6=1 HD2 LYS 26 - HE3 LYS 24 OK 11 87 - 13 - 2.9/635=1 HD3 LYS 26 - HE3 LYS 24 OK 11 85 - 13 - 2.9/634=1 HD2 LYS 26 - HE3 LYS 19 OK 11 100 - 11 - 2.9/635=1 HD3 LYS 26 - HE3 LYS 19 OK 11 99 - 11 - 2.9/634=1 HD3 LYS 24 - HE3 LYS 36 lone 8 87 - 9 - HD2 LYS 24 - HE3 LYS 36 lone 8 86 - 9 - HD3 LYS 31 - HE3 LYS 36 lone 8 87 - 9 - HD2 LYS 31 - HE3 LYS 36 lone 8 86 - 9 - HD3 LYS 86 - HE2 LYS 31 lone 7 100 - 6 - HD2 LYS 86 - HE2 LYS 31 lone 7 100 - 6 - HD2 LYS 86 - HE3 LYS 19 lone 6 100 - 6 - HD3 LYS 86 - HE3 LYS 19 lone 6 100 - 6 - HD2 LYS 86 - HE3 LYS 31 lone 6 86 - 7 - HD3 LYS 86 - HE3 LYS 31 lone 6 86 - 7 - HD3 LYS 24 - HE3 LYS 86 lone 5 57 - 8 - 2699/1.8=1 HD2 LYS 24 - HE3 LYS 86 lone 5 57 - 8 - 2699/1.8=1 HD2 LYS 26 - HE3 LYS 36 lone 4 87 - 5 - HD3 LYS 26 - HE3 LYS 36 lone 4 85 - 5 - HD3 LYS 31 - HE3 LYS 86 lone 3 57 - 6 - HD2 LYS 31 - HE3 LYS 86 lone 3 57 - 6 - HD3 LYS 95 - HE2 LYS 31 lone 3 100 - 3 - HD2 LYS 86 - HE3 LYS 26 lone 3 86 - 3 - HD3 LYS 86 - HE3 LYS 26 lone 3 86 - 3 - HD3 LYS 86 - HE2 LYS 26 lone 3 86 - 3 - HD2 LYS 86 - HE2 LYS 26 lone 3 86 - 3 - HD3 LYS 95 - HE3 LYS 31 lone 3 86 - 3 - HD2 LYS 95 - HE2 LYS 31 lone 2 87 - 3 - QB ALA 88 - HE3 LYS 86 lone 2 57 - 3 - HD2 LYS 95 - HE3 LYS 31 lone 2 70 - 3 - HD2 LYS 26 - HE3 LYS 86 lone 2 57 - 3 - HD3 LYS 26 - HE3 LYS 86 lone 2 56 - 3 - HB2 LEU 69 - HE3 LYS 36 lone 2 50 - 3 - HD3 LYS 95 - HE3 LYS 26 lone 1 86 - 1 - HD3 LYS 95 - HE2 LYS 26 lone 1 86 - 1 - HD3 LYS 95 - HE3 LYS 24 lone 1 86 - 1 - HD2 LYS 95 - HE2 LYS 26 lone 1 70 - 1 - HD2 LYS 95 - HE3 LYS 26 lone 1 70 - 1 - HB2 LEU 69 - HE2 LYS 31 lone 1 65 - 1 - HB2 LEU 69 - HE3 LYS 24 lone 1 50 - 2 - HD2 LYS 95 - HE3 LYS 24 lone 1 70 - 1 - HB2 LEU 98 - HE2 LYS 31 lone 1 73 - 1 - HB2 LEU 69 - HE3 LYS 31 lone 1 50 - 1 - HB2 LEU 98 - HE3 LYS 19 lone 1 73 - 1 - HB2 LEU 98 - HE3 LYS 26 lone 1 57 - 1 - HB2 LEU 98 - HE2 LYS 26 lone 1 57 - 1 - HD3 LYS 95 - HE3 LYS 86 lone 1 57 - 1 - HB2 LEU 98 - HE3 LYS 31 lone 1 57 - 1 - HD3 LYS 95 - HE3 LYS 19 lone 0 100 - 0 - QB ALA 88 - HE3 LYS 26 lone 0 86 - 0 - QB ALA 88 - HE2 LYS 26 lone 0 86 - 0 - QB ALA 88 - HE2 LYS 31 lone 0 100 - 0 - HD2 LYS 95 - HE3 LYS 86 lone 0 44 - 1 - HB2 LEU 98 - HE3 LYS 24 lone 0 57 - 1 - HD3 LYS 95 - HE3 LYS 36 lone 0 86 - 0 - QB ALA 88 - HE3 LYS 24 lone 0 86 - 0 - HD2 LYS 95 - HE3 LYS 19 lone 0 87 - 0 - QB ALA 88 - HE3 LYS 31 lone 0 86 - 0 - HD2 LYS 95 - HE3 LYS 36 lone 0 70 - 0 - QB ALA 88 - HE3 LYS 19 lone 0 100 - 0 - QB ALA 88 - HE3 LYS 36 lone 0 86 - 0 - HB2 LEU 69 - HE2 LYS 26 lone 0 50 - 0 - HB2 LEU 69 - HE3 LYS 26 lone 0 50 - 0 - HB2 LEU 98 - HE3 LYS 86 lone 0 35 - 1 - HB2 LEU 69 - HE3 LYS 19 lone 0 65 - 0 - HB2 LEU 98 - HE3 LYS 36 lone 0 57 - 0 - HB2 LEU 69 - HE3 LYS 86 lone 0 31 - 0 - Peak 873 from cnoeabs.peaks (2.96, 2.96, 41.80 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: * HE2 LYS 31 + HE2 LYS 31 OK 100 100 - 100 HE3 LYS 19 + HE3 LYS 19 OK 100 100 - 100 HE3 LYS 36 + HE3 LYS 36 OK 83 83 - 100 HE3 LYS 24 + HE3 LYS 24 OK 83 83 - 100 HE3 LYS 31 + HE3 LYS 31 OK 83 83 - 100 HE2 LYS 26 + HE2 LYS 26 OK 83 83 - 100 HE3 LYS 26 + HE3 LYS 26 OK 83 83 - 100 HE3 LYS 86 + HE3 LYS 86 OK 48 48 - 100 Peak 874 from cnoeabs.peaks (2.97, 2.96, 41.80 ppm; diagonal): 7 out of 8 assignments used, quality = 1.00: HE2 LYS 31 + HE2 LYS 31 OK 98 98 - 100 HE3 LYS 19 + HE3 LYS 19 OK 98 98 - 100 HE3 LYS 31 + HE3 LYS 31 OK 87 87 - 100 HE3 LYS 26 + HE3 LYS 26 OK 87 87 - 100 HE2 LYS 26 + HE2 LYS 26 OK 87 87 - 100 HE3 LYS 36 + HE3 LYS 36 OK 70 70 - 100 HE3 LYS 24 + HE3 LYS 24 OK 70 70 - 100 HE3 LYS 86 - HE3 LYS 86 OK 35 35 - 100 Reference assignment not found: HE3 LYS 31 - HE2 LYS 31 Peak 876 from cnoeabs.peaks (8.23, 2.97, 41.80 ppm; 5.22 A): 5 out of 15 assignments used, quality = 1.00: * H LYS 31 + HE3 LYS 31 OK 87 100 - 87 - 7.1=40, 6334/3.7=21...(22) H LYS 31 + HE2 LYS 31 OK 76 87 - 87 - 7.1=40, 6334/3.7=21...(21) H LYS 31 + HE2 LYS 26 OK 59 100 - 60 - 6334/3.6=7, 6331/4.8=6...(24) H LYS 31 + HE3 LYS 26 OK 59 100 - 60 - 6334/3.6=7, 6331/4.8=6...(24) H SER 33 + HE3 LYS 31 OK 51 100 - 52 - 6364/3.7=11...(11) H SER 33 - HE2 LYS 31 OK 43 86 - 50 - 6364/3.7=11, 832/3.7=10...(11) H LYS 31 - HE3 LYS 19 OK 33 87 - 37 - 6333/3.8=6, 6332/5.1=5...(16) H SER 107 - HE3 LYS 31 OK 27 100 - 27 - 10101/3.7=9, 821/3.7=6...(8) H SER 107 - HE2 LYS 31 OK 23 86 - 26 - 10101/3.7=9, 821/3.7=6...(7) H SER 33 - HE2 LYS 26 OK 22 100 - 22 - 4.4/10757=7, 6364/3.6=4...(7) H SER 33 - HE3 LYS 26 OK 22 100 - 22 - 4.4/10757=7, 6364/3.6=4...(7) H SER 33 - HE3 LYS 19 OK 13 86 - 15 - 6364/3.8=4, 4.4/10757=4...(4) H SER 107 - HE3 LYS 26 lone 5 100 - 5 - H SER 107 - HE2 LYS 26 lone 5 100 - 5 - H SER 107 - HE3 LYS 19 lone 3 86 - 4 - Peak 877 from cnoeabs.peaks (4.28, 2.97, 41.80 ppm; 3.67 A): 4 out of 70 assignments used, quality = 0.98: * HA LYS 31 + HE3 LYS 31 OK 74 100 - 74 - 6.5=18, 793/3.7=14...(26) HA LYS 31 + HE2 LYS 31 OK 63 87 - 73 - 6.5=18, 793/3.7=14...(28) HA LYS 31 + HE2 LYS 26 OK 51 100 - 51 - 793/3.6=5, 795/3.0=4...(19) HA LYS 31 + HE3 LYS 26 OK 51 100 - 51 - 793/3.6=5, 795/3.0=4...(19) HA LYS 26 - HE3 LYS 26 OK 44 73 - 60 - 6.6=17, 597/3.6=6...(26) HA LYS 26 - HE2 LYS 26 OK 44 73 - 60 - 6.6=17, 597/3.6=6...(26) HA LYS 26 - HE3 LYS 31 OK 32 73 - 44 - 833/3.7=4, 822/3.7=4...(14) HA LYS 31 - HE3 LYS 19 OK 29 87 - 34 - 792/3.8=4, 790/5.1=2...(8) HA LYS 19 - HE3 LYS 19 OK 29 44 - 66 - 6.4=19, 4.2/329=7...(32) HA LYS 36 - HE3 LYS 31 OK 28 99 - 28 - 833/3.7=3, 822/3.7=3...(12) HA LYS 26 - HE2 LYS 31 OK 24 57 - 42 - 833/3.7=4, 822/3.7=4...(14) HA LYS 36 - HE2 LYS 31 OK 23 85 - 27 - 833/3.7=3, 822/3.7=3...(11) HA LYS 19 - HE2 LYS 26 OK 20 57 - 34 - 627/3.6=3, 638/3.6=2...(9) HA LYS 19 - HE3 LYS 26 OK 20 57 - 34 - 627/3.6=3, 638/3.6=2...(9) HA LYS 19 - HE3 LYS 31 OK 19 57 - 33 - 833/3.7=3, 822/3.7=3...(6) HA LYS 26 - HE3 LYS 19 OK 18 57 - 31 - 241/3.8=3, 4.0/634=2...(12) HA LYS 19 - HE2 LYS 31 OK 13 44 - 31 - 833/3.7=3, 822/3.7=3...(5) HA LYS 36 - HE3 LYS 26 OK 13 99 - 13 - 977/3.6=3, 975/4.8=2, 627/3.6=1 HA LYS 36 - HE2 LYS 26 OK 13 99 - 13 - 977/3.6=3, 975/4.8=2, 627/3.6=1 HA LYS 36 - HE3 LYS 19 OK 12 85 - 14 - ~1053=1, 4.1/1015=1, 4.1/1026=1 HB THR 115 - HE2 LYS 26 lone 7 98 - 8 - 10191/3.6=3, 11521/7.1=3 HB THR 115 - HE3 LYS 26 lone 7 98 - 8 - 10191/3.6=3, 11521/7.1=3 HA ALA 15 - HE3 LYS 31 lone 6 73 - 8 - 822/3.7=2, 833/3.7=2 HA ALA 15 - HE2 LYS 31 lone 4 57 - 8 - 822/3.7=2, 833/3.7=2 HA ARG 23 - HE2 LYS 26 lone 4 65 - 7 - 419/4.8=2, 418/4.8=2 HA ARG 23 - HE3 LYS 26 lone 4 65 - 7 - 419/4.8=2, 418/4.8=2 HA ALA 108 - HE3 LYS 31 lone 4 100 - 4 - HA ALA 109 - HE3 LYS 31 lone 4 100 - 4 - HA ALA 108 - HE2 LYS 31 lone 4 87 - 4 - HA ALA 109 - HE2 LYS 31 lone 3 87 - 4 - HA LEU 22 - HE3 LYS 31 lone 3 100 - 3 - HA LEU 22 - HE2 LYS 31 lone 2 87 - 3 - HB THR 115 - HE3 LYS 31 lone 2 98 - 2 - HB THR 115 - HE2 LYS 31 lone 2 83 - 2 - HA ALA 12 - HE3 LYS 19 lone 2 57 - 3 - HA ALA 110 - HE3 LYS 31 lone 2 81 - 2 - HA ALA 108 - HE3 LYS 26 lone 2 100 - 1 - HA ALA 108 - HE2 LYS 26 lone 2 100 - 1 - HA ARG 23 - HE3 LYS 31 lone 2 65 - 2 - HA GLN 61 - HE3 LYS 31 lone 1 96 - 1 - HA LEU 22 - HE2 LYS 26 lone 1 100 - 1 - HA LEU 22 - HE3 LYS 26 lone 1 100 - 1 - HA ALA 109 - HE3 LYS 26 lone 1 100 - 1 - HA ALA 109 - HE2 LYS 26 lone 1 100 - 1 - HB THR 115 - HE3 LYS 19 lone 1 83 - 2 - HA ALA 16 - HE3 LYS 31 lone 1 100 - 1 - HA ALA 110 - HE2 LYS 31 lone 1 64 - 2 - HA GLN 61 - HE2 LYS 31 lone 1 79 - 1 - HA ARG 23 - HE2 LYS 31 lone 1 50 - 2 - HA ALA 16 - HE2 LYS 31 lone 1 86 - 1 - HA ALA 15 - HE2 LYS 26 lone 1 73 - 1 - HA ALA 15 - HE3 LYS 26 lone 1 73 - 1 - HA ARG 23 - HE3 LYS 19 lone 1 50 - 2 - HA ALA 16 - HE3 LYS 26 lone 1 100 - 1 - HA ALA 16 - HE2 LYS 26 lone 1 100 - 1 - HA ALA 108 - HE3 LYS 19 lone 1 87 - 1 - HA LEU 22 - HE3 LYS 19 lone 1 87 - 1 - HA ALA 109 - HE3 LYS 19 lone 1 87 - 1 - HA GLN 61 - HE3 LYS 19 lone 1 79 - 1 - HA GLN 61 - HE3 LYS 26 lone 1 96 - 1 - HA GLN 61 - HE2 LYS 26 lone 1 96 - 1 - HA ALA 110 - HE3 LYS 26 lone 1 81 - 1 - HA ALA 110 - HE2 LYS 26 lone 1 81 - 1 - HA ALA 12 - HE3 LYS 31 lone 1 73 - 1 - HA ALA 16 - HE3 LYS 19 lone 1 86 - 1 - HA ALA 15 - HE3 LYS 19 lone 1 57 - 1 - HA ALA 12 - HE2 LYS 31 lone 0 57 - 1 - HA ALA 12 - HE3 LYS 26 lone 0 73 - 1 - HA ALA 12 - HE2 LYS 26 lone 0 73 - 1 - HA ALA 110 - HE3 LYS 19 lone 0 64 - 1 - Peak 878 from cnoeabs.peaks (1.74, 2.97, 41.80 ppm; 3.41 A): 8 out of 30 assignments used, quality = 1.00: * HB2 LYS 31 + HE3 LYS 31 OK 83 100 - 83 - 4.8=35, 804/3.7=10...(44) HB2 LYS 31 + HE2 LYS 31 OK 71 87 - 82 - 4.8=35, 804/3.7=10...(40) HB2 LYS 26 + HE3 LYS 26 OK 63 81 - 78 - 4.8=36, 3.0/634=6...(37) HB2 LYS 26 + HE2 LYS 26 OK 63 81 - 78 - 4.8=36, 3.0/634=6...(37) HB2 LYS 31 + HE2 LYS 26 OK 57 100 - 57 - 804/3.6=4, 3.0/841=3...(27) HB2 LYS 31 + HE3 LYS 26 OK 57 100 - 57 - 804/3.6=4, 3.0/841=3...(27) HB2 LYS 19 + HE3 LYS 19 OK 51 64 - 80 - 5.1=30, 252/3.8=9...(44) HB2 LYS 24 + HE3 LYS 31 OK 48 96 - 50 - 823/3.7=5, 834/3.7=5...(17) HB2 LYS 26 - HE3 LYS 31 OK 43 81 - 54 - 834/3.7=4, 823/3.7=4...(22) HB2 LYS 24 - HE3 LYS 26 OK 42 96 - 44 - 628/3.6=3, 494/3.6=2...(15) HB2 LYS 24 - HE2 LYS 26 OK 42 96 - 44 - 628/3.6=3, 494/3.6=2...(15) HB2 LYS 24 - HE2 LYS 31 OK 37 79 - 47 - 823/3.7=5, 834/3.7=5...(16) HB2 LYS 31 - HE3 LYS 19 OK 37 87 - 42 - 803/3.8=3, 3.0/841=2...(18) HB2 LYS 24 - HE3 LYS 19 OK 35 79 - 45 - 252/3.8=4, 525/3.8=2...(27) HB2 LYS 19 - HE3 LYS 31 OK 33 81 - 41 - 823/3.7=4, 834/3.7=4...(10) HB2 LYS 26 - HE2 LYS 31 OK 33 64 - 52 - 834/3.7=4, 823/3.7=4...(24) HB2 LYS 19 - HE3 LYS 26 OK 32 81 - 40 - 628/3.6=3, 3.0/329=3...(10) HB2 LYS 19 - HE2 LYS 26 OK 32 81 - 40 - 628/3.6=3, 3.0/329=3...(10) HB2 LYS 19 - HE2 LYS 31 OK 25 64 - 39 - 823/3.7=4, 834/3.7=4...(9) HB2 LYS 26 - HE3 LYS 19 OK 23 64 - 37 - 252/3.8=4, 3.0/634=2...(16) HG13 ILE 129 - HE2 LYS 26 lone 2 100 - 2 - HG13 ILE 129 - HE3 LYS 26 lone 2 100 - 2 - HB ILE 80 - HE3 LYS 31 lone 2 87 - 2 - HB ILE 80 - HE2 LYS 31 lone 2 70 - 3 - HG13 ILE 129 - HE3 LYS 31 lone 2 100 - 2 - HG13 ILE 129 - HE2 LYS 31 lone 2 86 - 2 - HB ILE 80 - HE2 LYS 26 lone 1 87 - 1 - HB ILE 80 - HE3 LYS 26 lone 1 87 - 1 - HG13 ILE 129 - HE3 LYS 19 lone 1 86 - 1 - HB ILE 80 - HE3 LYS 19 lone 0 70 - 1 - Peak 879 from cnoeabs.peaks (1.81, 2.97, 41.80 ppm; 3.24 A): 8 out of 45 assignments used, quality = 1.00: * HB3 LYS 31 + HE3 LYS 31 OK 77 100 - 77 - 4.8=30, 815/3.7=7...(37) HB3 LYS 19 + HE3 LYS 19 OK 68 87 - 78 - 5.1=26, 263/3.8=11...(42) HB3 LYS 31 + HE2 LYS 31 OK 66 87 - 75 - 4.8=30, 815/3.7=7...(37) HB3 LYS 26 + HE2 LYS 26 OK 60 81 - 75 - 4.8=31, 619/3.6=7...(38) HB3 LYS 26 + HE3 LYS 26 OK 60 81 - 75 - 4.8=31, 619/3.6=7...(38) HB3 LYS 31 + HE2 LYS 26 OK 51 100 - 51 - 3.0/841=3, 3.0/830=3...(23) HB3 LYS 31 + HE3 LYS 26 OK 51 100 - 51 - 3.0/841=3, 3.0/830=3...(23) HB3 LYS 24 + HE3 LYS 31 OK 46 99 - 46 - 835/3.7=4, 824/3.7=4...(14) HB3 LYS 26 - HE3 LYS 31 OK 41 81 - 51 - 3.0/635=3, 835/3.7=3...(18) HB3 LYS 24 - HE2 LYS 26 OK 41 99 - 41 - 505/3.6=2, 619/3.6=2...(11) HB3 LYS 24 - HE3 LYS 26 OK 41 99 - 41 - 505/3.6=2, 619/3.6=2...(11) HB3 LYS 19 - HE3 LYS 31 OK 39 100 - 39 - 835/3.7=3, 824/3.7=3...(13) HB3 LYS 19 - HE2 LYS 26 OK 38 100 - 38 - 3.0/329=2, 815/3.6=2...(12) HB3 LYS 19 - HE3 LYS 26 OK 38 100 - 38 - 3.0/329=2, 815/3.6=2...(12) HB3 LYS 24 - HE3 LYS 19 OK 37 85 - 44 - 263/3.8=5, 306/2.9=3...(24) HB3 LYS 24 - HE2 LYS 31 OK 36 85 - 43 - 835/3.7=4, 824/3.7=4...(16) HB3 LYS 31 - HE3 LYS 19 OK 34 87 - 39 - 263/3.8=5, 266/2.9=3...(16) HB3 LYS 19 - HE2 LYS 31 OK 33 87 - 38 - 835/3.7=3, 824/3.7=3...(12) HB3 LYS 26 - HE2 LYS 31 OK 31 64 - 49 - 3.0/634=3, 835/3.7=3...(20) HB ILE 32 - HE3 LYS 31 OK 31 87 - 36 - 2.1/10757=8, ~10757=3...(14) HB2 LYS 36 - HE3 LYS 31 OK 25 92 - 27 - 835/3.7=2, ~1064=2...(10) HB3 LYS 26 - HE3 LYS 19 OK 23 64 - 37 - 273/3.8=3, 3.0/635=2...(17) HB ILE 32 - HE2 LYS 31 OK 23 70 - 33 - 2.1/10757=6, ~10757=5...(11) HB ILE 32 - HE2 LYS 26 OK 21 87 - 25 - 2.1/10757=5, ~10757=3...(8) HB ILE 32 - HE3 LYS 26 OK 21 87 - 25 - 2.1/10757=5, ~10757=3...(8) HB2 LYS 36 - HE2 LYS 31 OK 18 75 - 24 - 835/3.7=2, 824/3.7=2...(7) HB2 LYS 36 - HE3 LYS 19 OK 15 75 - 19 - ~1053=1, ~1064=1...(4) HB ILE 32 - HE3 LYS 19 OK 12 70 - 17 - 2.1/10757=3, 900/3.8=2...(6) HB2 LYS 36 - HE2 LYS 26 OK 10 92 - 11 - 988/3.6=2 HB2 LYS 36 - HE3 LYS 26 OK 10 92 - 11 - 988/3.6=2 HB3 LEU 123 - HE3 LYS 19 lone 4 47 - 8 - 3.2/10705=2 HB3 LEU 123 - HE3 LYS 26 lone 4 61 - 6 - 3.2/10705=1 HB3 LEU 123 - HE2 LYS 26 lone 4 61 - 6 - 3.2/10705=1 HB3 LEU 123 - HE3 LYS 31 lone 1 61 - 1 - HB2 ARG 84 - HE3 LYS 31 lone 1 98 - 1 - HB3 ARG 135 - HE3 LYS 31 lone 1 87 - 1 - HB2 ARG 84 - HE2 LYS 31 lone 1 83 - 1 - HB3 LEU 123 - HE2 LYS 31 lone 1 47 - 1 - HB3 ARG 135 - HE3 LYS 26 lone 1 87 - 1 - HB3 ARG 135 - HE2 LYS 26 lone 1 87 - 1 - HB2 ARG 84 - HE3 LYS 19 lone 1 83 - 1 - HB3 ARG 135 - HE2 LYS 31 lone 1 70 - 1 - HB3 ARG 135 - HE3 LYS 19 lone 0 70 - 1 - HB2 ARG 84 - HE3 LYS 26 lone 0 98 - 0 - HB2 ARG 84 - HE2 LYS 26 lone 0 98 - 0 - Peak 880 from cnoeabs.peaks (1.44, 2.97, 41.80 ppm; 2.64 A): 4 out of 25 assignments used, quality = 0.97: * HG2 LYS 31 + HE3 LYS 31 OK 67 100 - 67 - 3.7=37, 1.8/881=5...(15) HG3 LYS 19 + HE3 LYS 19 OK 60 85 - 71 - 3.8=33, 1.8/329=8...(22) HG2 LYS 31 + HE2 LYS 31 OK 57 87 - 65 - 3.7=37, 1.8/881=4...(17) HG2 LYS 26 + HE2 LYS 26 OK 43 65 - 66 - 3.6=39, 1.8/646=4...(15) HG2 LYS 26 - HE3 LYS 26 OK 43 65 - 66 - 3.6=39, 1.8/646=4...(15) HG2 LYS 31 - HE2 LYS 26 OK 37 100 - 37 - 1.8/881=3, 826/3.6=2...(14) HG2 LYS 31 - HE3 LYS 26 OK 37 100 - 37 - 1.8/881=3, 826/3.6=2...(14) HG3 LYS 24 - HE3 LYS 31 OK 31 96 - 32 - 836/3.7=3, 1.8/675=2...(7) HG3 LYS 24 - HE3 LYS 26 OK 27 96 - 28 - 527/3.6=2, 1.8/675=1...(6) HG3 LYS 24 - HE2 LYS 26 OK 27 96 - 28 - 527/3.6=2, 1.8/675=1...(6) HG3 LYS 19 - HE3 LYS 31 OK 26 99 - 26 - 1.8/329=3, 836/3.7=2...(8) HG3 LYS 24 - HE3 LYS 19 OK 25 79 - 32 - 285/3.8=4, 297/2.9=3...(8) HG3 LYS 19 - HE3 LYS 26 OK 24 99 - 25 - 1.8/329=2, ~329=2...(6) HG3 LYS 19 - HE2 LYS 26 OK 24 99 - 25 - 1.8/329=2, ~329=2...(6) HG3 LYS 24 - HE2 LYS 31 OK 23 79 - 30 - 836/3.7=3, 530/3.0=1...(7) HG2 LYS 31 - HE3 LYS 19 OK 23 87 - 26 - 275/3.8=3, 1.8/841=2...(8) HG2 LYS 26 - HE3 LYS 31 OK 22 65 - 34 - 1.8/645=2, 836/3.7=2...(9) HG13 ILE 32 - HE3 LYS 31 OK 21 98 - 22 - 3.2/10757=4, ~10903=2...(9) HG3 LYS 19 - HE2 LYS 31 OK 21 85 - 25 - 1.8/329=3, 836/3.7=2...(8) HG2 LYS 26 - HE2 LYS 31 OK 16 50 - 31 - 836/3.7=2, 1.8/645=2...(9) HG13 ILE 32 - HE2 LYS 31 OK 16 83 - 19 - 3.2/10757=3, 2.1/10804=2...(8) HG13 ILE 32 - HE3 LYS 26 OK 13 98 - 14 - 3.2/10757=3, 2.1/9008=2...(7) HG13 ILE 32 - HE2 LYS 26 OK 13 98 - 14 - 3.2/10757=3, 2.1/9008=2...(7) HG2 LYS 26 - HE3 LYS 19 poor 10 50 - 20 - 1.8/646=1 HG13 ILE 32 - HE3 LYS 19 poor 9 83 - 11 - 3.2/10757=1, 275/3.8=1...(4) Peak 881 from cnoeabs.peaks (1.39, 2.97, 41.80 ppm; 2.67 A): 4 out of 50 assignments used, quality = 0.96: * HG3 LYS 31 + HE3 LYS 31 OK 71 100 - 71 - 3.7=38, 839/3.0=5...(17) HG3 LYS 31 + HE2 LYS 31 OK 60 87 - 69 - 3.7=38, 839/3.0=5...(16) HG3 LYS 26 + HE2 LYS 26 OK 44 65 - 68 - 3.6=40, 1.8/685=5...(18) HG3 LYS 26 + HE3 LYS 26 OK 44 65 - 68 - 3.6=40, 1.8/674=5...(18) HG3 LYS 31 - HE2 LYS 26 OK 38 100 - 38 - 841=3, 841/1.8=3...(12) HG3 LYS 31 - HE3 LYS 26 OK 38 100 - 38 - 841=3, 841/1.8=3...(12) HG3 LYS 31 - HE3 LYS 19 OK 23 87 - 26 - 841=2, 836/3.8=2...(7) HG3 LYS 26 - HE3 LYS 31 OK 22 65 - 34 - 1.8/634=3, 826/3.7=2...(11) HG3 LYS 26 - HE2 LYS 31 OK 17 50 - 33 - 1.8/635=3, 826/3.7=2...(11) HG3 LYS 26 - HE3 LYS 19 poor 9 50 - 18 - 1.8/634=2 HG2 LYS 95 - HE3 LYS 31 lone 6 98 - 6 - 826/3.7=1 HG3 LYS 95 - HE3 LYS 31 lone 6 92 - 6 - HG2 LYS 95 - HE2 LYS 31 lone 5 83 - 6 - 826/3.7=1 HG3 LYS 95 - HE2 LYS 31 lone 4 75 - 6 - HG LEU 96 - HE3 LYS 31 lone 4 81 - 5 - HG LEU 96 - HE2 LYS 31 lone 3 64 - 4 - HG2 LYS 95 - HE3 LYS 26 lone 2 98 - 2 - HG2 LYS 95 - HE2 LYS 26 lone 2 98 - 2 - HG3 LYS 95 - HE3 LYS 26 lone 2 92 - 2 - HG3 LYS 95 - HE2 LYS 26 lone 2 92 - 2 - QB ALA 15 - HE3 LYS 31 lone 2 73 - 3 - QB ALA 109 - HE3 LYS 31 lone 2 99 - 2 - QB ALA 109 - HE2 LYS 31 lone 2 85 - 2 - QB ALA 15 - HE2 LYS 31 lone 2 57 - 3 - QB ALA 108 - HE3 LYS 31 lone 2 87 - 2 - HG LEU 96 - HE2 LYS 26 lone 1 81 - 2 - HG LEU 96 - HE3 LYS 26 lone 1 81 - 2 - QB ALA 108 - HE2 LYS 31 lone 1 70 - 2 - QB ALA 28 - HE3 LYS 31 lone 1 81 - 1 - QB ALA 28 - HE3 LYS 26 lone 1 81 - 1 - QB ALA 28 - HE2 LYS 26 lone 1 81 - 1 - QB ALA 28 - HE2 LYS 31 lone 1 64 - 1 - QB ALA 109 - HE3 LYS 26 lone 1 99 - 1 - QB ALA 109 - HE2 LYS 26 lone 1 99 - 1 - HG2 LYS 95 - HE3 LYS 19 lone 1 83 - 1 - QB ALA 110 - HE3 LYS 31 lone 1 73 - 1 - QB ALA 108 - HE3 LYS 26 lone 1 87 - 1 - QB ALA 108 - HE2 LYS 26 lone 1 87 - 1 - HG3 LYS 95 - HE3 LYS 19 lone 0 75 - 1 - QB ALA 15 - HE2 LYS 26 lone 0 73 - 1 - QB ALA 15 - HE3 LYS 26 lone 0 73 - 1 - QB ALA 110 - HE2 LYS 31 lone 0 57 - 1 - HG LEU 96 - HE3 LYS 19 lone 0 64 - 1 - QB ALA 109 - HE3 LYS 19 lone 0 85 - 0 - QB ALA 110 - HE2 LYS 26 lone 0 73 - 0 - QB ALA 110 - HE3 LYS 26 lone 0 73 - 0 - QB ALA 108 - HE3 LYS 19 lone 0 70 - 0 - QB ALA 15 - HE3 LYS 19 lone 0 57 - 0 - QB ALA 28 - HE3 LYS 19 lone 0 64 - 0 - QB ALA 110 - HE3 LYS 19 lone 0 57 - 0 - Peak 882 from cnoeabs.peaks (1.66, 2.97, 41.80 ppm; 2.50 A): 8 out of 75 assignments used, quality = 1.00: * HD2 LYS 31 + HE3 LYS 31 OK 75 100 - 75 - 3.0=58, 2.9/881=3...(12) HD3 LYS 31 + HE3 LYS 31 OK 75 100 - 75 - 3.0=58, 2.9/881=3...(12) HD2 LYS 26 + HE3 LYS 26 OK 72 100 - 72 - 3.0=58, 2.9/634=3...(13) HD2 LYS 26 + HE2 LYS 26 OK 72 100 - 72 - 3.0=58, 2.9/634=3...(13) HD3 LYS 26 + HE2 LYS 26 OK 71 98 - 72 - 3.0=58, 2.9/635=3...(13) HD3 LYS 26 + HE3 LYS 26 OK 71 98 - 72 - 3.0=58, 2.9/635=3...(13) HD2 LYS 31 + HE2 LYS 31 OK 64 87 - 74 - 3.0=58, 839/3.7=3...(11) HD3 LYS 31 + HE2 LYS 31 OK 64 86 - 74 - 3.0=58, 839/3.7=3...(11) HD2 LYS 31 - HE3 LYS 26 OK 27 100 - 27 - 2.9/841=2, 632/3.6=2...(5) HD2 LYS 31 - HE2 LYS 26 OK 27 100 - 27 - 2.9/841=2, 632/3.6=2...(5) HD3 LYS 31 - HE3 LYS 26 OK 27 100 - 27 - 2.9/841=2, 632/3.6=2...(5) HD3 LYS 31 - HE2 LYS 26 OK 27 100 - 27 - 2.9/841=2, 632/3.6=2...(5) HD2 LYS 26 - HE3 LYS 31 OK 22 100 - 23 - 2.9/635=2, 839/3.7=2...(4) HD3 LYS 26 - HE3 LYS 31 OK 22 98 - 23 - 2.9/635=2, 839/3.7=2...(4) HD2 LYS 26 - HE2 LYS 31 OK 19 86 - 22 - 2.9/634=2, 839/3.7=2...(4) HD3 LYS 26 - HE2 LYS 31 OK 18 83 - 22 - 2.9/635=2, 839/3.7=2...(4) HD2 LYS 24 - HE3 LYS 31 OK 17 100 - 17 - 839/3.7=1, 828/3.7=1 HD3 LYS 24 - HE3 LYS 31 OK 17 100 - 17 - 839/3.7=1, 828/3.7=1 HD2 LYS 31 - HE3 LYS 19 OK 15 87 - 17 - 2.9/841=1, 2.9/830=1 HD3 LYS 31 - HE3 LYS 19 OK 15 86 - 17 - 2.9/841=1, 2.9/830=1 HD2 LYS 24 - HE3 LYS 26 OK 14 100 - 14 - 632/3.6=1 HD2 LYS 24 - HE2 LYS 26 OK 14 100 - 14 - 632/3.6=1 HD3 LYS 24 - HE3 LYS 26 OK 14 100 - 14 - 632/3.6=1 HD3 LYS 24 - HE2 LYS 26 OK 14 100 - 14 - 632/3.6=1 HD2 LYS 24 - HE3 LYS 19 OK 14 87 - 16 - HD3 LYS 24 - HE3 LYS 19 OK 13 86 - 16 - HD2 LYS 24 - HE2 LYS 31 OK 13 87 - 15 - 839/3.7=1, 828/3.7=1 HD3 LYS 24 - HE2 LYS 31 OK 13 86 - 15 - 839/3.7=1, 828/3.7=1 HD2 LYS 26 - HE3 LYS 19 poor 9 86 - 11 - 2.9/635=1 HD3 LYS 26 - HE3 LYS 19 poor 9 83 - 11 - 2.9/634=1 HD2 LYS 86 - HE3 LYS 31 lone 6 99 - 6 - HD3 LYS 86 - HE3 LYS 31 lone 6 99 - 6 - HD2 LYS 36 - HE3 LYS 31 lone 5 65 - 8 - HD3 LYS 36 - HE3 LYS 31 lone 5 65 - 8 - HD3 LYS 86 - HE2 LYS 31 lone 5 85 - 5 - HD2 LYS 86 - HE2 LYS 31 lone 5 85 - 5 - HD2 LYS 86 - HE3 LYS 19 lone 5 85 - 5 - HD3 LYS 86 - HE3 LYS 19 lone 5 85 - 5 - HD3 LYS 36 - HE3 LYS 19 lone 4 50 - 8 - HD2 LYS 36 - HE3 LYS 19 lone 4 50 - 8 - HD2 LYS 36 - HE2 LYS 31 lone 4 50 - 7 - HD3 LYS 36 - HE2 LYS 31 lone 4 50 - 7 - HD3 LYS 95 - HE3 LYS 31 lone 3 99 - 3 - HD3 LYS 86 - HE2 LYS 26 lone 3 99 - 3 - HD2 LYS 86 - HE2 LYS 26 lone 3 99 - 3 - HD3 LYS 86 - HE3 LYS 26 lone 3 99 - 3 - HD2 LYS 86 - HE3 LYS 26 lone 3 99 - 3 - HD3 LYS 36 - HE3 LYS 26 lone 2 65 - 4 - HD3 LYS 36 - HE2 LYS 26 lone 2 65 - 4 - HD2 LYS 36 - HE3 LYS 26 lone 2 65 - 4 - HD2 LYS 36 - HE2 LYS 26 lone 2 65 - 4 - HD3 LYS 95 - HE2 LYS 31 lone 2 85 - 3 - HD2 LYS 95 - HE3 LYS 31 lone 2 81 - 3 - HD2 LYS 95 - HE2 LYS 31 lone 2 64 - 3 - HD3 LYS 95 - HE3 LYS 26 lone 2 99 - 2 - HD3 LYS 95 - HE2 LYS 26 lone 2 99 - 2 - HD2 LYS 95 - HE3 LYS 26 lone 1 81 - 1 - HD2 LYS 95 - HE2 LYS 26 lone 1 81 - 1 - HB2 LEU 69 - HE3 LYS 31 lone 1 73 - 1 - HB2 LEU 69 - HE2 LYS 31 lone 1 57 - 1 - HB2 LEU 98 - HE2 LYS 26 lone 1 65 - 1 - HB2 LEU 98 - HE3 LYS 26 lone 1 65 - 1 - HB2 LEU 98 - HE3 LYS 31 lone 1 65 - 1 - QB ALA 88 - HE2 LYS 26 lone 0 100 - 0 - QB ALA 88 - HE3 LYS 26 lone 0 100 - 0 - HB2 LEU 98 - HE2 LYS 31 lone 0 50 - 1 - QB ALA 88 - HE3 LYS 31 lone 0 100 - 0 - HB2 LEU 98 - HE3 LYS 19 lone 0 50 - 1 - HD3 LYS 95 - HE3 LYS 19 lone 0 85 - 0 - QB ALA 88 - HE2 LYS 31 lone 0 87 - 0 - HB2 LEU 69 - HE3 LYS 26 lone 0 73 - 0 - HB2 LEU 69 - HE2 LYS 26 lone 0 73 - 0 - HD2 LYS 95 - HE3 LYS 19 lone 0 64 - 0 - QB ALA 88 - HE3 LYS 19 lone 0 87 - 0 - HB2 LEU 69 - HE3 LYS 19 lone 0 57 - 0 - Peak 883 from cnoeabs.peaks (1.66, 2.97, 41.80 ppm; 2.50 A): 8 out of 65 assignments used, quality = 1.00: * HD3 LYS 31 + HE3 LYS 31 OK 75 100 - 75 - 3.0=58, 2.9/881=3...(12) HD2 LYS 31 + HE3 LYS 31 OK 75 100 - 75 - 3.0=58, 2.9/881=3...(12) HD2 LYS 26 + HE2 LYS 26 OK 72 100 - 72 - 3.0=58, 2.9/634=3...(13) HD2 LYS 26 + HE3 LYS 26 OK 72 100 - 72 - 3.0=58, 2.9/634=3...(13) HD3 LYS 26 + HE3 LYS 26 OK 72 99 - 72 - 3.0=58, 2.9/635=3...(13) HD3 LYS 26 + HE2 LYS 26 OK 72 99 - 72 - 3.0=58, 2.9/635=3...(13) HD3 LYS 31 + HE2 LYS 31 OK 64 87 - 74 - 3.0=58, 839/3.7=3...(11) HD2 LYS 31 + HE2 LYS 31 OK 64 86 - 74 - 3.0=58, 839/3.7=3...(11) HD3 LYS 31 - HE2 LYS 26 OK 27 100 - 27 - 2.9/841=2, 632/3.6=2...(5) HD3 LYS 31 - HE3 LYS 26 OK 27 100 - 27 - 2.9/841=2, 632/3.6=2...(5) HD2 LYS 31 - HE3 LYS 26 OK 27 100 - 27 - 2.9/841=2, 632/3.6=2...(5) HD2 LYS 31 - HE2 LYS 26 OK 27 100 - 27 - 2.9/841=2, 632/3.6=2...(5) HD3 LYS 26 - HE3 LYS 31 OK 23 99 - 23 - 2.9/634=2, 839/3.7=2...(4) HD2 LYS 26 - HE3 LYS 31 OK 23 100 - 23 - 2.9/635=2, 839/3.7=2...(4) HD2 LYS 26 - HE2 LYS 31 OK 19 87 - 22 - 2.9/634=2, 839/3.7=2...(4) HD3 LYS 26 - HE2 LYS 31 OK 18 85 - 22 - 2.9/634=2, 839/3.7=2...(4) HD3 LYS 24 - HE3 LYS 31 OK 17 100 - 17 - 839/3.7=1, 828/3.7=1 HD2 LYS 24 - HE3 LYS 31 OK 17 100 - 17 - 839/3.7=1, 828/3.7=1 HD3 LYS 31 - HE3 LYS 19 OK 15 87 - 17 - 2.9/841=1, 2.9/830=1 HD2 LYS 31 - HE3 LYS 19 OK 15 86 - 17 - 2.9/841=1, 2.9/830=1 HD3 LYS 24 - HE3 LYS 26 OK 14 100 - 14 - 632/3.6=1 HD3 LYS 24 - HE2 LYS 26 OK 14 100 - 14 - 632/3.6=1 HD2 LYS 24 - HE3 LYS 26 OK 14 100 - 14 - 632/3.6=1 HD2 LYS 24 - HE2 LYS 26 OK 14 100 - 14 - 632/3.6=1 HD3 LYS 24 - HE3 LYS 19 OK 14 87 - 16 - HD2 LYS 24 - HE3 LYS 19 OK 14 86 - 16 - HD3 LYS 24 - HE2 LYS 31 OK 13 87 - 15 - 839/3.7=1, 828/3.7=1 HD2 LYS 24 - HE2 LYS 31 OK 13 86 - 15 - 839/3.7=1, 828/3.7=1 HD2 LYS 26 - HE3 LYS 19 poor 9 87 - 11 - 2.9/634=1 HD3 LYS 26 - HE3 LYS 19 poor 9 85 - 11 - 2.9/634=1 HD2 LYS 86 - HE3 LYS 31 lone 6 100 - 6 - HD3 LYS 86 - HE3 LYS 31 lone 6 100 - 6 - HD2 LYS 86 - HE2 LYS 31 lone 5 86 - 5 - HD3 LYS 86 - HE2 LYS 31 lone 5 86 - 5 - HD2 LYS 86 - HE3 LYS 19 lone 5 86 - 5 - HD3 LYS 86 - HE3 LYS 19 lone 5 86 - 5 - HD3 LYS 95 - HE3 LYS 31 lone 3 100 - 3 - HD2 LYS 86 - HE3 LYS 26 lone 3 100 - 3 - HD3 LYS 86 - HE3 LYS 26 lone 3 100 - 3 - HD3 LYS 86 - HE2 LYS 26 lone 3 100 - 3 - HD2 LYS 86 - HE2 LYS 26 lone 3 100 - 3 - HD3 LYS 95 - HE2 LYS 31 lone 2 86 - 3 - HD2 LYS 95 - HE3 LYS 31 lone 2 87 - 3 - HD2 LYS 95 - HE2 LYS 31 lone 2 70 - 3 - HD3 LYS 95 - HE2 LYS 26 lone 2 100 - 2 - HD3 LYS 95 - HE3 LYS 26 lone 2 100 - 2 - HD2 LYS 95 - HE2 LYS 26 lone 1 87 - 1 - HD2 LYS 95 - HE3 LYS 26 lone 1 87 - 1 - HB2 LEU 69 - HE3 LYS 31 lone 1 65 - 1 - HB2 LEU 98 - HE3 LYS 26 lone 1 73 - 1 - HB2 LEU 98 - HE2 LYS 26 lone 1 73 - 1 - HB2 LEU 98 - HE3 LYS 31 lone 1 73 - 1 - HB2 LEU 69 - HE2 LYS 31 lone 1 50 - 1 - QB ALA 88 - HE2 LYS 26 lone 0 100 - 0 - QB ALA 88 - HE3 LYS 26 lone 0 100 - 0 - HB2 LEU 98 - HE2 LYS 31 lone 1 57 - 1 - HB2 LEU 98 - HE3 LYS 19 lone 0 57 - 1 - QB ALA 88 - HE3 LYS 31 lone 0 100 - 0 - HD3 LYS 95 - HE3 LYS 19 lone 0 86 - 0 - QB ALA 88 - HE2 LYS 31 lone 0 86 - 0 - HD2 LYS 95 - HE3 LYS 19 lone 0 70 - 0 - HB2 LEU 69 - HE2 LYS 26 lone 0 65 - 0 - HB2 LEU 69 - HE3 LYS 26 lone 0 65 - 0 - QB ALA 88 - HE3 LYS 19 lone 0 86 - 0 - HB2 LEU 69 - HE3 LYS 19 lone 0 50 - 0 - Peak 884 from cnoeabs.peaks (2.96, 2.97, 41.80 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HE3 LYS 26 + HE3 LYS 26 OK 98 98 - 100 HE3 LYS 31 + HE3 LYS 31 OK 98 98 - 100 HE2 LYS 26 + HE2 LYS 26 OK 98 98 - 100 HE3 LYS 19 + HE3 LYS 19 OK 87 87 - 100 HE2 LYS 31 + HE2 LYS 31 OK 87 87 - 100 Reference assignment not found: HE2 LYS 31 - HE3 LYS 31 Peak 885 from cnoeabs.peaks (2.97, 2.97, 41.80 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HE3 LYS 26 + HE3 LYS 26 OK 100 100 - 100 * HE3 LYS 31 + HE3 LYS 31 OK 100 100 - 100 HE2 LYS 26 + HE2 LYS 26 OK 100 100 - 100 HE3 LYS 19 + HE3 LYS 19 OK 83 83 - 100 HE2 LYS 31 + HE2 LYS 31 OK 83 83 - 100 Peak 887 from cnoeabs.peaks (8.14, 4.11, 61.16 ppm; 3.44 A): 1 out of 5 assignments used, quality = 1.00: * H ILE 32 + HA ILE 32 OK 100 100 - 100 - 3.0=100 H ASP 71 - HA ILE 32 OK 38 98 - 39 - 3.6/10822=16, 903/3.2=6...(11) H VAL 133 - HA ILE 32 OK 15 92 - 16 - 911/4.1=3, 895/3.0=3...(6) H ALA 15 - HA ILE 32 OK 15 99 - 15 - 895/3.0=3, 903/3.2=2...(6) H LEU 22 - HA ILE 32 lone 3 73 - 4 - Peak 888 from cnoeabs.peaks (4.11, 4.11, 61.16 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ILE 32 + HA ILE 32 OK 100 100 - 100 Peak 889 from cnoeabs.peaks (1.82, 4.11, 61.16 ppm; 3.13 A): 2 out of 11 assignments used, quality = 1.00: * HB ILE 32 + HA ILE 32 OK 100 100 - 100 - 3.0=100 HB3 LYS 31 + HA ILE 32 OK 51 87 - 59 - 4.6/6351=10, ~809=6...(21) HB3 LYS 19 - HA ILE 32 OK 28 87 - 32 - 3.0/10831=9, 6344/3.0=4...(12) HB3 LYS 26 - HA ILE 32 OK 25 100 - 25 - 905/3.2=3, 6352/3.0=3...(9) HB3 LYS 24 - HA ILE 32 OK 21 96 - 22 - 6352/3.0=2, ~6343=2...(9) HB2 LYS 36 - HA ILE 32 OK 16 100 - 16 - 905/3.2=2, 6361/3.6=2...(7) HB2 LEU 100 - HA ILE 32 lone 10 96 - 10 - 929/4.2=1, ~3243=1, 905/3.2=1 HB3 ARG 23 - HA ILE 32 lone 6 92 - 6 - ~10728=2 HB3 ARG 135 - HA ILE 32 lone 5 100 - 4 - HB3 LEU 123 - HA ILE 32 lone 2 71 - 2 - HB2 ARG 84 - HA ILE 32 lone 1 65 - 1 - Peak 890 from cnoeabs.peaks (0.85, 4.11, 61.16 ppm; 3.03 A): 1 out of 4 assignments used, quality = 0.96: * QG2 ILE 32 + HA ILE 32 OK 96 100 - 96 - 3.2=85, 6362/3.6=14...(26) QD2 LEU 70 - HA ILE 32 OK 37 99 - 38 - 4.0/10822=11, 6353/3.0=6...(11) QD1 LEU 98 - HA ILE 32 OK 13 73 - 18 - 3185=2, 898/3.0=2...(10) QG2 VAL 57 - HA ILE 32 lone 2 73 - 3 - Peak 891 from cnoeabs.peaks (1.16, 4.11, 61.16 ppm; 3.35 A): 2 out of 4 assignments used, quality = 0.95: * HG12 ILE 32 + HA ILE 32 OK 93 100 - 93 - 4.1=55, 6354/3.0=20...(20) HG3 LYS 39 + HA ILE 32 OK 32 87 - 37 - ~10833=8, 899/3.0=8...(8) QB ALA 41 - HA ILE 32 lone 5 73 - 7 - 9070/4.2=1, 6354/3.0=1 QG2 THR 18 - HA ILE 32 lone 4 65 - 6 - 6354/3.0=3 Peak 892 from cnoeabs.peaks (1.44, 4.11, 61.16 ppm; 3.51 A): 2 out of 6 assignments used, quality = 0.98: * HG13 ILE 32 + HA ILE 32 OK 96 100 - 96 - 4.1=63, 1.8/891=26...(21) HG2 LYS 31 + HA ILE 32 OK 60 98 - 61 - 6345/3.0=8, 6364/3.6=6...(22) HG3 LYS 19 - HA ILE 32 OK 37 92 - 40 - 1.8/10831=13, 6345/3.0=6...(13) HG2 LYS 26 - HA ILE 32 OK 27 87 - 31 - 908/3.2=4, 900/3.0=4...(11) HG3 LYS 24 - HA ILE 32 OK 22 81 - 28 - 6345/3.0=4, 900/3.0=3...(13) QB ALA 92 - HA ILE 32 lone 2 65 - 2 - Peak 893 from cnoeabs.peaks (0.78, 4.11, 61.16 ppm; 3.56 A): 1 out of 5 assignments used, quality = 0.96: * QD1 ILE 32 + HA ILE 32 OK 96 100 - 96 - 4.2=62, 930/3.2=25...(23) QD1 LEU 96 - HA ILE 32 OK 27 92 - 29 - 909/3.2=5, 901/3.0=4...(11) QD1 ILE 37 - HA ILE 32 OK 27 99 - 27 - 901/3.0=6, 909/3.2=5...(7) QG1 VAL 63 - HA ILE 32 OK 15 87 - 17 - 11014/10831=3...(9) QD1 LEU 103 - HA ILE 32 lone 7 92 - 8 - 901/3.0=1, 6356/3.0=1...(4) Peak 894 from cnoeabs.peaks (8.23, 4.11, 61.16 ppm; 2.70 A): 3 out of 3 assignments used, quality = 0.87: * H SER 33 + HA ILE 32 OK 74 100 - 74 - 3.6=43, 6359/3.0=13...(12) H LYS 31 + HA ILE 32 OK 40 100 - 40 - 6339/3.0=13, 902/3.0=5...(11) H SER 107 + HA ILE 32 OK 19 99 - 19 - 902/3.0=3, 910/3.2=3...(8) Peak 895 from cnoeabs.peaks (8.14, 1.82, 38.56 ppm; 3.08 A): 4 out of 5 assignments used, quality = 0.93: * H ILE 32 + HB ILE 32 OK 88 100 - 88 - 4.0=47, 6353/2.1=19...(18) H ASP 71 + HB ILE 32 OK 24 98 - 24 - 903/2.1=6, 887/3.0=5...(7) H VAL 133 + HB ILE 32 OK 14 92 - 15 - 911/2.9=3, 927/3.2=3...(5) H ALA 15 + HB ILE 32 OK 13 99 - 13 - 903/2.1=2, 919/2.9=2...(6) H LEU 22 - HB ILE 32 lone 3 73 - 4 - Peak 896 from cnoeabs.peaks (4.11, 1.82, 38.56 ppm; 3.42 A): 1 out of 6 assignments used, quality = 1.00: * HA ILE 32 + HB ILE 32 OK 100 100 - 100 - 3.0=100 HA LEU 98 - HB ILE 32 OK 26 98 - 27 - 904/2.1=5, 912/2.9=4...(11) HA GLN 101 - HB ILE 32 OK 15 87 - 18 - 904/2.1=3, 2.9/7411=3...(8) HA LEU 48 - HB ILE 32 OK 12 100 - 11 - 904/2.1=3, 920/2.9=2...(4) HA LEU 49 - HB ILE 32 OK 11 99 - 11 - 904/2.1=2, 920/2.9=2...(4) HA CYS 79 - HB ILE 32 lone 9 98 - 9 - 920/2.9=2, 904/2.1=2...(4) Peak 897 from cnoeabs.peaks (1.82, 1.82, 38.56 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 32 + HB ILE 32 OK 100 100 - 100 Peak 898 from cnoeabs.peaks (0.85, 1.82, 38.56 ppm; 2.88 A): 1 out of 4 assignments used, quality = 1.00: * QG2 ILE 32 + HB ILE 32 OK 100 100 - 100 - 2.1=100 QD2 LEU 70 - HB ILE 32 OK 28 99 - 28 - 890/3.0=5, 922/2.9=4...(8) QD1 LEU 98 - HB ILE 32 OK 11 73 - 14 - 4.0/896=2, 890/3.0=2...(6) QG2 VAL 57 - HB ILE 32 lone 2 73 - 3 - Peak 899 from cnoeabs.peaks (1.16, 1.82, 38.56 ppm; 3.60 A): 2 out of 4 assignments used, quality = 1.00: * HG12 ILE 32 + HB ILE 32 OK 100 100 - 100 - 2.9=100 HG3 LYS 39 + HB ILE 32 OK 54 87 - 63 - 3.0/10833=19, 907/2.1=11...(14) QB ALA 41 - HB ILE 32 poor 8 73 - 11 - 9070/3.2=2, 907/2.1=1, 891/3.0=1 QG2 THR 18 - HB ILE 32 lone 6 65 - 9 - 6354/4.0=2, 4.3/6150=2 Peak 900 from cnoeabs.peaks (1.44, 1.82, 38.56 ppm; 3.32 A): 2 out of 6 assignments used, quality = 1.00: * HG13 ILE 32 + HB ILE 32 OK 100 100 - 100 - 2.9=100 HG2 LYS 31 + HB ILE 32 OK 51 98 - 52 - 908/2.1=7, 892/3.0=6...(21) HG3 LYS 19 - HB ILE 32 OK 38 92 - 42 - ~10831=8, 908/2.1=5...(14) HG2 LYS 26 - HB ILE 32 OK 32 87 - 37 - 908/2.1=5, 916/2.9=4...(16) HG3 LYS 24 - HB ILE 32 OK 22 81 - 27 - 908/2.1=3, 6345/4.0=2...(8) QB ALA 92 - HB ILE 32 lone 3 65 - 5 - 3.7/10810=2 Peak 901 from cnoeabs.peaks (0.78, 1.82, 38.56 ppm; 3.37 A): 1 out of 5 assignments used, quality = 1.00: * QD1 ILE 32 + HB ILE 32 OK 100 100 - 100 - 3.2=100 QD1 ILE 37 - HB ILE 32 OK 38 99 - 38 - 909/2.1=7, 917/2.9=6...(14) QD1 LEU 96 - HB ILE 32 OK 29 92 - 32 - 909/2.1=6, 925/2.9=4...(12) QG1 VAL 63 - HB ILE 32 OK 14 87 - 16 - 917/2.9=3, 909/2.1=2...(6) QD1 LEU 103 - HB ILE 32 lone 8 92 - 8 - 917/2.9=1, 909/2.1=1, 893/3.0=1 Peak 902 from cnoeabs.peaks (8.23, 1.82, 38.56 ppm; 3.50 A): 2 out of 3 assignments used, quality = 0.97: * H SER 33 + HB ILE 32 OK 92 100 - 92 - 4.4=50, 6362/2.1=29...(14) H LYS 31 + HB ILE 32 OK 63 100 - 63 - 6339/4.0=15, 910/2.1=11...(17) H SER 107 - HB ILE 32 OK 41 99 - 41 - 910/2.1=7, ~10828=6...(10) Peak 903 from cnoeabs.peaks (8.14, 0.85, 17.13 ppm; 3.45 A): 2 out of 5 assignments used, quality = 0.96: * H ILE 32 + QG2 ILE 32 OK 94 100 - 94 - 4.0=66, 895/2.1=23...(17) H ASP 71 + QG2 ILE 32 OK 40 98 - 41 - 6965=7, 895/2.1=6...(11) H VAL 133 - QG2 ILE 32 OK 17 92 - 19 - 911/3.2=4, 895/2.1=4...(6) H ALA 15 - QG2 ILE 32 OK 15 99 - 15 - 895/2.1=3, 919/3.2=2...(6) H LEU 22 - QG2 ILE 32 lone 4 73 - 5 - Peak 904 from cnoeabs.peaks (4.11, 0.85, 17.13 ppm; 2.96 A): 1 out of 6 assignments used, quality = 0.95: * HA ILE 32 + QG2 ILE 32 OK 95 100 - 95 - 3.2=79, 3.6/6362=14...(26) HA LEU 98 - QG2 ILE 32 OK 21 98 - 21 - 896/2.1=4, 3152=3...(7) HA LEU 48 - QG2 ILE 32 OK 11 100 - 11 - 1491/11918=3, 896/2.1=2...(5) HA GLN 101 - QG2 ILE 32 OK 10 87 - 12 - 896/2.1=2, 928/3.0=2...(5) HA LEU 49 - QG2 ILE 32 lone 9 99 - 9 - 896/2.1=2, 928/3.0=1...(5) HA CYS 79 - QG2 ILE 32 lone 6 98 - 6 - 896/2.1=1, 920/3.2=1 Peak 905 from cnoeabs.peaks (1.82, 0.85, 17.13 ppm; 2.54 A): 1 out of 11 assignments used, quality = 1.00: * HB ILE 32 + QG2 ILE 32 OK 100 100 - 100 - 2.1=100 HB3 LYS 31 - QG2 ILE 32 OK 30 87 - 35 - 4.6/6353=5, 3.0/908=3...(14) HB3 LYS 26 - QG2 ILE 32 OK 23 100 - 23 - 3.0/908=2, 619/3.2=2...(10) HB3 LYS 19 - QG2 ILE 32 OK 19 87 - 22 - ~10831=3, 3.0/908=2...(8) HB2 LYS 36 - QG2 ILE 32 OK 18 100 - 18 - 3.9/10892=5, 3.5/10837=3...(4) HB3 LYS 24 - QG2 ILE 32 OK 14 96 - 15 - 2.9/908=1, ~10738=1...(6) HB2 LEU 100 - QG2 ILE 32 lone 8 96 - 9 - 929/3.0=1 HB3 ARG 135 - QG2 ILE 32 lone 4 100 - 4 - HB3 ARG 23 - QG2 ILE 32 lone 3 92 - 3 - HB3 LEU 123 - QG2 ILE 32 lone 1 71 - 2 - HB2 ARG 84 - QG2 ILE 32 lone 0 65 - 1 - Peak 906 from cnoeabs.peaks (0.85, 0.85, 17.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 32 + QG2 ILE 32 OK 100 100 - 100 Peak 907 from cnoeabs.peaks (1.16, 0.85, 17.13 ppm; 2.83 A): 2 out of 4 assignments used, quality = 0.94: * HG12 ILE 32 + QG2 ILE 32 OK 91 100 - 91 - 3.2=69, 2.1/930=25...(17) HG3 LYS 39 + QG2 ILE 32 OK 36 87 - 41 - 3.0/10837=7, ~10833=7...(14) QB ALA 41 - QG2 ILE 32 lone 4 73 - 6 - 9070/3.0=1, 899/2.1=1 QG2 THR 18 - QG2 ILE 32 lone 3 65 - 4 - 6354/4.0=1 Peak 908 from cnoeabs.peaks (1.44, 0.85, 17.13 ppm; 2.95 A): 2 out of 6 assignments used, quality = 0.97: * HG13 ILE 32 + QG2 ILE 32 OK 95 100 - 95 - 3.2=79, 2.1/930=26...(19) HG2 LYS 31 + QG2 ILE 32 OK 42 98 - 43 - 900/2.1=5, 892/3.2=4...(17) HG3 LYS 19 - QG2 ILE 32 OK 28 92 - 30 - ~10831=6, 900/2.1=4...(11) HG2 LYS 26 - QG2 ILE 32 OK 27 87 - 31 - 900/2.1=3, 932/3.0=3...(12) HG3 LYS 24 - QG2 ILE 32 OK 16 81 - 19 - 900/2.1=2, 932/3.0=2...(7) QB ALA 92 - QG2 ILE 32 lone 3 65 - 4 - 3.7/10811=2 Peak 909 from cnoeabs.peaks (0.78, 0.85, 17.13 ppm; 2.92 A): 1 out of 5 assignments used, quality = 0.98: * QD1 ILE 32 + QG2 ILE 32 OK 98 100 - 98 - 3.0=92, 2.1/907=21...(19) QD1 ILE 37 - QG2 ILE 32 OK 29 99 - 29 - 901/2.1=5, 917/3.2=4...(11) QD1 LEU 96 - QG2 ILE 32 OK 26 92 - 28 - 3.2/11824=4, 901/2.1=4...(13) QG1 VAL 63 - QG2 ILE 32 poor 10 87 - 11 - 917/3.2=2, 901/2.1=2...(5) QD1 LEU 103 - QG2 ILE 32 lone 6 92 - 6 - 901/2.1=1 Peak 910 from cnoeabs.peaks (8.23, 0.85, 17.13 ppm; 3.27 A): 3 out of 3 assignments used, quality = 0.96: * H SER 33 + QG2 ILE 32 OK 86 100 - 86 - 4.4=42, 6360/3.2=23...(14) H LYS 31 + QG2 ILE 32 OK 52 100 - 52 - 6339/4.0=13, 902/2.1=9...(13) H SER 107 + QG2 ILE 32 OK 35 99 - 35 - 3.0/10828=9, 902/2.1=6...(9) Peak 911 from cnoeabs.peaks (8.14, 1.16, 27.21 ppm; 3.37 A): 4 out of 5 assignments used, quality = 0.95: * H ILE 32 + HG12 ILE 32 OK 89 100 - 89 - 6354=35, 919/1.8=22...(17) H ASP 71 + HG12 ILE 32 OK 27 98 - 27 - 919/1.8=6, 903/3.2=6...(6) H VAL 133 + HG12 ILE 32 OK 24 92 - 26 - 4.0/10567=8, 919/1.8=4...(8) H ALA 15 + HG12 ILE 32 OK 14 99 - 14 - 919/1.8=3, 895/2.9=3...(5) H LEU 22 - HG12 ILE 32 lone 4 73 - 5 - Peak 912 from cnoeabs.peaks (4.11, 1.16, 27.21 ppm; 3.35 A): 1 out of 6 assignments used, quality = 0.93: * HA ILE 32 + HG12 ILE 32 OK 93 100 - 93 - 4.1=55, 3.0/6354=20...(20) HA LEU 98 - HG12 ILE 32 OK 20 98 - 20 - 920/1.8=4, 928/2.1=4...(6) HA GLN 101 - HG12 ILE 32 OK 11 87 - 13 - 920/1.8=3, 928/2.1=3...(6) HA LEU 48 - HG12 ILE 32 lone 10 100 - 10 - 920/1.8=3, 928/2.1=2...(4) HA LEU 49 - HG12 ILE 32 lone 8 99 - 8 - 920/1.8=2, 928/2.1=2...(4) HA CYS 79 - HG12 ILE 32 lone 7 98 - 7 - 920/1.8=2, 928/2.1=1...(4) Peak 913 from cnoeabs.peaks (1.82, 1.16, 27.21 ppm; 3.34 A): 2 out of 11 assignments used, quality = 1.00: * HB ILE 32 + HG12 ILE 32 OK 100 100 - 100 - 2.9=100 HB3 LYS 31 + HG12 ILE 32 OK 47 87 - 54 - 4.6/6354=11, 921/1.8=6...(20) HB3 LYS 26 - HG12 ILE 32 OK 39 100 - 40 - 1.8/10738=6, 619/1.8=6...(15) HB3 LYS 19 - HG12 ILE 32 OK 32 87 - 37 - 1.8/10738=5, 921/1.8=4...(16) HB3 LYS 24 - HG12 ILE 32 OK 25 96 - 26 - 1.8/10738=5, 921/1.8=3...(7) HB2 LYS 36 - HG12 ILE 32 OK 23 100 - 23 - 4.6/10904=3, 3.5/10842=3...(9) HB2 LEU 100 - HG12 ILE 32 OK 15 96 - 16 - 929/2.1=3, 921/1.8=2...(7) HB3 ARG 135 - HG12 ILE 32 lone 6 100 - 6 - HB3 ARG 23 - HG12 ILE 32 lone 4 92 - 5 - HB3 LEU 123 - HG12 ILE 32 lone 2 71 - 2 - HB2 ARG 84 - HG12 ILE 32 lone 1 65 - 1 - Peak 914 from cnoeabs.peaks (0.85, 1.16, 27.21 ppm; 3.15 A): 1 out of 4 assignments used, quality = 0.99: * QG2 ILE 32 + HG12 ILE 32 OK 99 100 - 99 - 3.2=96, 930/2.1=29...(18) QD2 LEU 70 - HG12 ILE 32 OK 29 99 - 29 - 930/2.1=7, 922/1.8=7...(7) QD1 LEU 98 - HG12 ILE 32 OK 10 73 - 14 - 922/1.8=2, 930/2.1=2...(5) QG2 VAL 57 - HG12 ILE 32 lone 2 73 - 3 - Peak 915 from cnoeabs.peaks (1.16, 1.16, 27.21 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 32 + HG12 ILE 32 OK 100 100 - 100 Peak 916 from cnoeabs.peaks (1.44, 1.16, 27.21 ppm; 2.50 A): 1 out of 6 assignments used, quality = 1.00: * HG13 ILE 32 + HG12 ILE 32 OK 100 100 - 100 - 1.8=100 HG2 LYS 31 - HG12 ILE 32 OK 28 98 - 28 - 932/2.1=4, 908/3.2=3...(11) HG2 LYS 26 - HG12 ILE 32 OK 18 87 - 21 - 932/2.1=3, 3.0/10738=2...(8) HG3 LYS 19 - HG12 ILE 32 OK 18 92 - 20 - 932/2.1=3, 900/2.9=2...(7) HG3 LYS 24 - HG12 ILE 32 OK 11 81 - 14 - 2.9/10738=2, 932/2.1=2...(5) QB ALA 92 - HG12 ILE 32 lone 2 65 - 3 - Peak 917 from cnoeabs.peaks (0.78, 1.16, 27.21 ppm; 2.97 A): 1 out of 5 assignments used, quality = 1.00: * QD1 ILE 32 + HG12 ILE 32 OK 100 100 - 100 - 2.1=100 QD1 ILE 37 - HG12 ILE 32 OK 36 99 - 36 - 2.1/10914=7, 925/1.8=6...(13) QD1 LEU 96 - HG12 ILE 32 OK 24 92 - 26 - 925/1.8=4, 909/3.2=3...(12) QG1 VAL 63 - HG12 ILE 32 OK 17 87 - 20 - 4.0/9396=7, 925/1.8=2...(5) QD1 LEU 103 - HG12 ILE 32 lone 8 92 - 9 - 925/1.8=1 Peak 918 from cnoeabs.peaks (8.23, 1.16, 27.21 ppm; 4.37 A): 3 out of 3 assignments used, quality = 0.99: * H SER 33 + HG12 ILE 32 OK 91 100 - 91 - 6363=33, 6362/3.2=31...(11) H LYS 31 + HG12 ILE 32 OK 75 100 - 75 - 4.7/6354=20, 926/1.8=14...(14) H SER 107 + HG12 ILE 32 OK 48 99 - 48 - 934/2.1=10, 926/1.8=9...(8) Peak 919 from cnoeabs.peaks (8.14, 1.44, 27.21 ppm; 3.30 A): 4 out of 5 assignments used, quality = 0.93: * H ILE 32 + HG13 ILE 32 OK 87 100 - 87 - 6354/1.8=27, 5.2=26...(19) H ASP 71 + HG13 ILE 32 OK 25 98 - 26 - 911/1.8=6, 903/3.2=5...(6) H VAL 133 + HG13 ILE 32 OK 17 92 - 18 - 911/1.8=5, 927/2.1=4...(6) H ALA 15 + HG13 ILE 32 OK 13 99 - 13 - 911/1.8=3, 895/2.9=3...(5) H LEU 22 - HG13 ILE 32 lone 3 73 - 4 - Peak 920 from cnoeabs.peaks (4.11, 1.44, 27.21 ppm; 3.54 A): 1 out of 6 assignments used, quality = 0.96: * HA ILE 32 + HG13 ILE 32 OK 96 100 - 96 - 4.1=65, 891/1.8=27...(21) HA LEU 98 - HG13 ILE 32 OK 22 98 - 23 - 912/1.8=5, 928/2.1=5...(6) HA LEU 48 - HG13 ILE 32 OK 15 100 - 15 - 1491/9220=5, 912/1.8=3...(5) HA GLN 101 - HG13 ILE 32 OK 13 87 - 15 - 912/1.8=3, 928/2.1=3...(6) HA CYS 79 - HG13 ILE 32 OK 11 98 - 11 - 3.6/9709=4, 912/1.8=2...(5) HA LEU 49 - HG13 ILE 32 OK 11 99 - 11 - 912/1.8=2, 928/2.1=2...(5) Peak 921 from cnoeabs.peaks (1.82, 1.44, 27.21 ppm; 3.17 A): 1 out of 11 assignments used, quality = 1.00: * HB ILE 32 + HG13 ILE 32 OK 100 100 - 100 - 2.9=100 HB3 LYS 31 - HG13 ILE 32 OK 43 87 - 49 - 4.6/919=8, 913/1.8=5...(16) HB3 LYS 26 - HG13 ILE 32 OK 39 100 - 39 - 619=5, 913/1.8=4...(16) HB3 LYS 19 - HG13 ILE 32 OK 30 87 - 34 - 913/1.8=4, ~10738=3...(16) HB3 LYS 24 - HG13 ILE 32 OK 22 96 - 23 - ~10738=3, 913/1.8=3...(6) HB2 LYS 36 - HG13 ILE 32 OK 14 100 - 14 - 913/1.8=3, 905/3.2=2...(5) HB2 LEU 100 - HG13 ILE 32 OK 14 96 - 14 - 929/2.1=2, 913/1.8=2...(7) HB3 ARG 135 - HG13 ILE 32 lone 5 100 - 5 - HB3 ARG 23 - HG13 ILE 32 lone 4 92 - 4 - HB3 LEU 123 - HG13 ILE 32 lone 1 71 - 2 - HB2 ARG 84 - HG13 ILE 32 lone 1 65 - 1 - Peak 922 from cnoeabs.peaks (0.85, 1.44, 27.21 ppm; 3.26 A): 1 out of 4 assignments used, quality = 1.00: * QG2 ILE 32 + HG13 ILE 32 OK 100 100 - 100 - 3.2=100 QD2 LEU 70 - HG13 ILE 32 OK 32 99 - 32 - 930/2.1=8, 914/1.8=7...(8) QD1 LEU 98 - HG13 ILE 32 OK 11 73 - 15 - 914/1.8=3, 930/2.1=2...(5) QG2 VAL 57 - HG13 ILE 32 lone 3 73 - 3 - Peak 923 from cnoeabs.peaks (1.16, 1.44, 27.21 ppm; 2.50 A): 1 out of 4 assignments used, quality = 1.00: * HG12 ILE 32 + HG13 ILE 32 OK 100 100 - 100 - 1.8=100 HG3 LYS 39 - HG13 ILE 32 OK 28 87 - 32 - 931/2.1=6, 907/3.2=4...(12) QB ALA 41 - HG13 ILE 32 lone 3 73 - 4 - QG2 THR 18 - HG13 ILE 32 lone 3 65 - 4 - Peak 924 from cnoeabs.peaks (1.44, 1.44, 27.21 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 32 + HG13 ILE 32 OK 100 100 - 100 Peak 925 from cnoeabs.peaks (0.78, 1.44, 27.21 ppm; 2.90 A): 1 out of 5 assignments used, quality = 1.00: * QD1 ILE 32 + HG13 ILE 32 OK 100 100 - 100 - 2.1=100 QD1 ILE 37 - HG13 ILE 32 OK 30 99 - 30 - 917/1.8=6, ~10917=5...(12) QD1 LEU 96 - HG13 ILE 32 OK 21 92 - 23 - 917/1.8=4, 909/3.2=3...(11) QG1 VAL 63 - HG13 ILE 32 poor 10 87 - 11 - 917/1.8=3, 901/2.9=1...(4) QD1 LEU 103 - HG13 ILE 32 lone 5 92 - 5 - 917/1.8=2 Peak 926 from cnoeabs.peaks (8.23, 1.44, 27.21 ppm; 4.18 A): 2 out of 3 assignments used, quality = 0.96: * H SER 33 + HG13 ILE 32 OK 88 100 - 88 - 6362/3.2=29, 6363/1.8=26...(9) H LYS 31 + HG13 ILE 32 OK 70 100 - 70 - 4.7/919=15, 918/1.8=13...(14) H SER 107 - HG13 ILE 32 OK 45 99 - 45 - 934/2.1=9, 918/1.8=8...(8) Peak 927 from cnoeabs.peaks (8.14, 0.78, 12.54 ppm; 4.03 A): 1 out of 5 assignments used, quality = 0.96: * H ILE 32 + QD1 ILE 32 OK 96 100 - 97 - 4.8=58, 6354/2.1=32...(17) H ASP 71 - QD1 ILE 32 OK 43 98 - 44 - 4.0/10848=12, 903/3.0=8...(10) H VAL 133 - QD1 ILE 32 OK 33 92 - 36 - 4.0/11679=10...(7) H ALA 15 - QD1 ILE 32 OK 19 99 - 19 - 919/2.1=4, 911/2.1=4...(5) H LEU 22 - QD1 ILE 32 lone 6 73 - 7 - 911/2.1=1, 4245/11679=1 Peak 928 from cnoeabs.peaks (4.11, 0.78, 12.54 ppm; 3.64 A): 1 out of 6 assignments used, quality = 0.97: * HA ILE 32 + QD1 ILE 32 OK 97 100 - 97 - 4.2=66, 3.2/930=26...(23) HA LEU 98 - QD1 ILE 32 OK 24 98 - 25 - 912/2.1=5, 920/2.1=5...(6) HA GLN 101 - QD1 ILE 32 OK 15 87 - 17 - 912/2.1=3, 920/2.1=3...(6) HA LEU 48 - QD1 ILE 32 OK 13 100 - 13 - 920/2.1=3, 912/2.1=2...(5) HA LEU 49 - QD1 ILE 32 OK 11 99 - 11 - 920/2.1=2, 912/2.1=2...(4) HA CYS 79 - QD1 ILE 32 lone 8 98 - 8 - 920/2.1=2, 912/2.1=2...(4) Peak 929 from cnoeabs.peaks (1.82, 0.78, 12.54 ppm; 3.11 A): 1 out of 11 assignments used, quality = 0.97: * HB ILE 32 + QD1 ILE 32 OK 97 100 - 97 - 3.2=89, 2.1/930=28...(17) HB3 LYS 31 - QD1 ILE 32 OK 40 87 - 46 - 4.6/6356=8, 921/2.1=5...(18) HB3 LYS 26 - QD1 ILE 32 OK 35 100 - 35 - 619/2.1=5, 3.0/10753=5...(14) HB3 LYS 19 - QD1 ILE 32 OK 27 87 - 32 - 3.0/10753=4, 921/2.1=3...(12) HB3 LYS 24 - QD1 ILE 32 OK 21 96 - 21 - ~10738=3, 921/2.1=3...(7) HB2 LEU 100 - QD1 ILE 32 OK 19 96 - 20 - 3.2/11388=4, 3.2/11387=3...(8) HB2 LYS 36 - QD1 ILE 32 OK 17 100 - 17 - 905/3.0=2, 913/2.1=2...(6) HB3 ARG 135 - QD1 ILE 32 lone 5 100 - 5 - HB3 ARG 23 - QD1 ILE 32 lone 4 92 - 4 - HB3 LEU 123 - QD1 ILE 32 lone 2 71 - 3 - HB2 ARG 84 - QD1 ILE 32 lone 1 65 - 1 - Peak 930 from cnoeabs.peaks (0.85, 0.78, 12.54 ppm; 2.54 A): 2 out of 4 assignments used, quality = 0.87: * QG2 ILE 32 + QD1 ILE 32 OK 84 100 - 84 - 3.0=61, 907/2.1=16...(19) QD2 LEU 70 + QD1 ILE 32 OK 21 99 - 21 - 922/2.1=4, 914/2.1=4...(6) QD1 LEU 98 - QD1 ILE 32 lone 6 73 - 9 - 914/2.1=1, 922/2.1=1...(4) QG2 VAL 57 - QD1 ILE 32 lone 2 73 - 2 - Peak 931 from cnoeabs.peaks (1.16, 0.78, 12.54 ppm; 2.84 A): 1 out of 4 assignments used, quality = 1.00: * HG12 ILE 32 + QD1 ILE 32 OK 100 100 - 100 - 2.1=100 HG3 LYS 39 - QD1 ILE 32 OK 35 87 - 41 - 923/2.1=7, 907/3.0=6...(13) QB ALA 41 - QD1 ILE 32 lone 6 73 - 8 - 9070=1 QG2 THR 18 - QD1 ILE 32 lone 4 65 - 7 - 10682/9009=3 Peak 932 from cnoeabs.peaks (1.44, 0.78, 12.54 ppm; 2.82 A): 1 out of 6 assignments used, quality = 1.00: * HG13 ILE 32 + QD1 ILE 32 OK 100 100 - 100 - 2.1=100 HG2 LYS 31 - QD1 ILE 32 OK 35 98 - 35 - 916/2.1=5, 908/3.0=4...(14) HG2 LYS 26 - QD1 ILE 32 OK 24 87 - 28 - 916/2.1=3, 4.0/10753=3...(14) HG3 LYS 19 - QD1 ILE 32 OK 24 92 - 26 - 916/2.1=3, 908/3.0=3...(11) HG3 LYS 24 - QD1 ILE 32 OK 14 81 - 17 - 916/2.1=2, 908/3.0=2...(7) QB ALA 92 - QD1 ILE 32 lone 1 65 - 2 - Peak 933 from cnoeabs.peaks (0.78, 0.78, 12.54 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 32 + QD1 ILE 32 OK 100 100 - 100 Peak 934 from cnoeabs.peaks (8.23, 0.78, 12.54 ppm; 4.12 A): 3 out of 3 assignments used, quality = 0.98: * H SER 33 + QD1 ILE 32 OK 88 100 - 88 - 6365=30, 6362/3.0=30...(9) H LYS 31 + QD1 ILE 32 OK 67 100 - 67 - 6339/4.8=16, 926/2.1=12...(15) H SER 107 + QD1 ILE 32 OK 50 99 - 50 - 3.0/10115=8, 926/2.1=8...(11) Peak 935 from cnoeabs.peaks (8.23, 4.40, 58.29 ppm; 3.06 A): 1 out of 6 assignments used, quality = 1.00: * H SER 33 + HA SER 33 OK 100 100 - 100 - 3.0=100 H LYS 31 - HA SER 33 OK 18 100 - 18 - 945/3.0=3, 4.0/10850=3...(9) H SER 107 - HA SER 33 OK 15 99 - 15 - 945/3.0=2, 940/3.0=2...(6) H SER 33 - HA SER 9 OK 13 86 - 14 - 6366=5, 4.0/941=2...(4) H SER 107 - HA SER 9 lone 1 84 - 2 - H LYS 31 - HA SER 9 lone 1 85 - 1 - Peak 936 from cnoeabs.peaks (4.40, 4.40, 58.29 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA SER 33 + HA SER 33 OK 100 100 - 100 HA SER 9 + HA SER 9 OK 82 82 - 100 Peak 937 from cnoeabs.peaks (3.91, 4.40, 58.29 ppm; 2.86 A): 2 out of 16 assignments used, quality = 0.95: * HB2 SER 33 + HA SER 33 OK 94 100 - 94 - 3.0=84, 1.8/946=25...(10) HB2 SER 33 + HA SER 9 OK 11 86 - 13 - 941=5, 1.8/946=4...(4) HA ALA 41 - HA SER 33 lone 3 99 - 3 - HB2 SER 94 - HA SER 33 lone 1 65 - 2 - 6373/3.6=1 HA2 GLY 14 - HA SER 33 lone 1 81 - 2 - HA3 GLY 14 - HA SER 33 lone 1 73 - 1 - HB2 SER 60 - HA SER 33 lone 1 98 - 1 - HB3 SER 60 - HA SER 33 lone 1 98 - 1 - HA3 GLY 75 - HA SER 33 lone 1 73 - 1 - HA ALA 41 - HA SER 9 lone 0 84 - 0 - HA3 GLY 75 - HA SER 9 lone 0 56 - 0 - HB2 SER 60 - HA SER 9 lone 0 82 - 0 - HB3 SER 60 - HA SER 9 lone 0 82 - 0 - HA2 GLY 14 - HA SER 9 lone 0 63 - 0 - HB2 SER 94 - HA SER 9 lone 0 50 - 0 - HA3 GLY 14 - HA SER 9 lone 0 56 - 0 - Peak 938 from cnoeabs.peaks (3.85, 4.40, 58.29 ppm; 2.81 A): 3 out of 12 assignments used, quality = 0.94: * HB3 SER 33 + HA SER 33 OK 92 100 - 92 - 3.0=80, 1.8/937=26...(10) HA LEU 123 + HA SER 33 OK 13 96 - 14 - 3.0/10853=6, 6368/3.0=2...(4) HB3 SER 33 + HA SER 9 OK 11 86 - 13 - 946=5, 1.8/941=3...(4) HD2 PRO 81 - HA SER 33 lone 2 100 - 2 - HA LEU 62 - HA SER 33 lone 1 87 - 2 - HD2 PRO 117 - HA SER 33 lone 1 73 - 2 - HA LEU 123 - HA SER 9 lone 1 78 - 1 - HA GLU 40 - HA SER 33 lone 1 57 - 1 - HD2 PRO 81 - HA SER 9 lone 0 86 - 0 - HA LEU 62 - HA SER 9 lone 0 69 - 0 - HD2 PRO 117 - HA SER 9 lone 0 56 - 0 - HA GLU 40 - HA SER 9 lone 0 43 - 0 - Peak 939 from cnoeabs.peaks (8.43, 4.40, 58.29 ppm; 2.65 A): 1 out of 6 assignments used, quality = 0.66: * H ALA 34 + HA SER 33 OK 66 100 - 66 - 6372=42, 6369/3.0=15...(6) H VAL 93 - HA SER 33 lone 7 98 - 7 - 6369/3.0=2, 949/3.0=2...(4) H ALA 34 - HA SER 9 lone 7 86 - 8 - 6372=5, 4.6/941=1, 4.6/946=1 H ASN 13 - HA SER 33 lone 3 92 - 3 - H VAL 93 - HA SER 9 lone 1 82 - 1 - H ASN 13 - HA SER 9 lone 0 74 - 0 - Peak 940 from cnoeabs.peaks (8.23, 3.91, 63.71 ppm; 3.24 A): 3 out of 3 assignments used, quality = 0.87: * H SER 33 + HB2 SER 33 OK 84 100 - 84 - 4.0=51, 6368/1.8=32...(7) H LYS 31 + HB2 SER 33 OK 11 100 - 11 - 945/1.8=5, 935/3.0=3...(4) H SER 107 + HB2 SER 33 OK 11 99 - 11 - 945/1.8=4, 935/3.0=3...(4) Peak 941 from cnoeabs.peaks (4.40, 3.91, 63.71 ppm; 2.95 A): 1 out of 4 assignments used, quality = 0.97: * HA SER 33 + HB2 SER 33 OK 97 100 - 97 - 3.0=92, 946/1.8=27...(10) HA SER 9 - HB2 SER 33 OK 14 98 - 14 - 937=5, 946/1.8=4...(4) HA SER 107 - HB2 SER 33 lone 6 65 - 10 - 3.0/940=2, 946/1.8=2...(4) HA THR 115 - HB2 SER 33 lone 5 96 - 5 - 3.2/10181=2, 946/1.8=1 Peak 942 from cnoeabs.peaks (3.91, 3.91, 63.71 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 33 + HB2 SER 33 OK 100 100 - 100 Peak 943 from cnoeabs.peaks (3.85, 3.91, 63.71 ppm; 2.50 A): 1 out of 6 assignments used, quality = 1.00: * HB3 SER 33 + HB2 SER 33 OK 100 100 - 100 - 1.8=100 HA LEU 123 - HB2 SER 33 lone 7 96 - 8 - 938/3.0=2, ~10853=2, 6368/4.0=1 HD2 PRO 81 - HB2 SER 33 lone 1 100 - 1 - HA LEU 62 - HB2 SER 33 lone 1 87 - 1 - HD2 PRO 117 - HB2 SER 33 lone 1 73 - 1 - HA GLU 40 - HB2 SER 33 lone 1 57 - 1 - Peak 944 from cnoeabs.peaks (8.43, 3.91, 63.71 ppm; 3.49 A): 2 out of 3 assignments used, quality = 0.80: * H ALA 34 + HB2 SER 33 OK 77 100 - 78 - 4.6=44, 949/1.8=30...(4) H VAL 93 + HB2 SER 33 OK 11 98 - 11 - 949/1.8=4, 939/3.0=3, 6369/4.0=3 H ASN 13 - HB2 SER 33 lone 5 92 - 5 - 949/1.8=2, 939/3.0=1, 6369/4.0=1 Peak 945 from cnoeabs.peaks (8.23, 3.85, 63.71 ppm; 3.24 A): 3 out of 3 assignments used, quality = 0.89: * H SER 33 + HB3 SER 33 OK 85 100 - 85 - 4.0=51, 6367/1.8=32...(8) H LYS 31 + HB3 SER 33 OK 15 100 - 15 - 940/1.8=4, 935/3.0=3...(5) H SER 107 + HB3 SER 33 OK 12 99 - 12 - 940/1.8=4, 935/3.0=3...(4) Peak 946 from cnoeabs.peaks (4.40, 3.85, 63.71 ppm; 2.96 A): 1 out of 4 assignments used, quality = 0.98: * HA SER 33 + HB3 SER 33 OK 98 100 - 98 - 3.0=93, 937/1.8=28...(11) HA SER 9 - HB3 SER 33 OK 13 98 - 13 - 938=5, 941/1.8=4...(4) HA SER 107 - HB3 SER 33 lone 6 65 - 10 - 3.0/945=2, 941/1.8=2...(4) HA THR 115 - HB3 SER 33 lone 4 96 - 4 - 941/1.8=1, ~10181=1 Peak 947 from cnoeabs.peaks (3.91, 3.85, 63.71 ppm; 2.50 A): 1 out of 8 assignments used, quality = 1.00: * HB2 SER 33 + HB3 SER 33 OK 100 100 - 100 - 1.8=100 HA ALA 41 - HB3 SER 33 lone 2 99 - 2 - HB2 SER 94 - HB3 SER 33 lone 1 65 - 1 - HA2 GLY 14 - HB3 SER 33 lone 1 81 - 1 - HB3 SER 60 - HB3 SER 33 lone 1 98 - 1 - HB2 SER 60 - HB3 SER 33 lone 1 98 - 1 - HA3 GLY 14 - HB3 SER 33 lone 1 73 - 1 - HA3 GLY 75 - HB3 SER 33 lone 0 73 - 0 - Peak 948 from cnoeabs.peaks (3.85, 3.85, 63.71 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 33 + HB3 SER 33 OK 100 100 - 100 Peak 949 from cnoeabs.peaks (8.43, 3.85, 63.71 ppm; 3.46 A): 2 out of 3 assignments used, quality = 0.79: * H ALA 34 + HB3 SER 33 OK 77 100 - 77 - 4.6=42, 6373/1.8=30...(5) H VAL 93 + HB3 SER 33 OK 11 98 - 11 - 944/1.8=4, 939/3.0=3, 6369/4.0=3 H ASN 13 - HB3 SER 33 lone 5 92 - 5 - 944/1.8=2, 939/3.0=1, 6369/4.0=1 Peak 950 from cnoeabs.peaks (8.43, 4.22, 53.50 ppm; 3.10 A): 1 out of 3 assignments used, quality = 1.00: * H ALA 34 + HA ALA 34 OK 100 100 - 100 - 3.0=100 H VAL 93 - HA ALA 34 OK 13 98 - 13 - 954/2.1=5, 6379/3.6=3...(4) H ASN 13 - HA ALA 34 lone 1 92 - 1 - Peak 951 from cnoeabs.peaks (4.22, 4.22, 53.50 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 34 + HA ALA 34 OK 100 100 - 100 Peak 952 from cnoeabs.peaks (1.42, 4.22, 53.50 ppm; 2.62 A): 1 out of 2 assignments used, quality = 1.00: * QB ALA 34 + HA ALA 34 OK 100 100 - 100 - 2.1=100 HG2 LYS 86 - HA ALA 34 OK 15 99 - 15 - 3.0/10876=3, 6376/3.0=2...(7) Peak 953 from cnoeabs.peaks (8.38, 4.22, 53.50 ppm; 3.26 A): 1 out of 4 assignments used, quality = 0.90: * H ASP 35 + HA ALA 34 OK 90 100 - 90 - 3.6=76, 6381/2.1=34...(4) H GLN 27 - HA ALA 34 lone 7 99 - 7 - 957/2.1=3, 4.0/10876=2 H THR 65 - HA ALA 34 lone 2 87 - 2 - H HIS 3 - HA ALA 34 lone 1 81 - 1 - Peak 954 from cnoeabs.peaks (8.43, 1.42, 18.75 ppm; 2.68 A): 2 out of 3 assignments used, quality = 0.85: * H ALA 34 + QB ALA 34 OK 82 100 - 82 - 2.9=76, 6379/3.6=14...(5) H VAL 93 + QB ALA 34 OK 15 98 - 15 - 3.9/9974=3, 3.6/10878=3...(6) H ASN 13 - QB ALA 34 lone 1 92 - 1 - Peak 955 from cnoeabs.peaks (4.22, 1.42, 18.75 ppm; 2.57 A): 1 out of 8 assignments used, quality = 1.00: * HA ALA 34 + QB ALA 34 OK 100 100 - 100 - 2.1=100 HB3 SER 38 - QB ALA 34 lone 10 99 - 10 - 3.9/10878=4, ~1128=1...(4) HA SER 51 - QB ALA 34 lone 7 73 - 9 - 3.0/10878=3, ~10869=2...(4) HA SER 94 - QB ALA 34 lone 6 73 - 8 - 2.9/10878=3, 6375/2.9=1, ~7279=1 HA GLU 30 - QB ALA 34 lone 6 100 - 5 - 6375/2.9=1, 3.0/10877=1 HA ALA 29 - QB ALA 34 lone 4 96 - 4 - ~10868=2 HA HIS 67 - QB ALA 34 lone 1 81 - 1 - HA SER 99 - QB ALA 34 lone 1 81 - 1 - Peak 956 from cnoeabs.peaks (1.42, 1.42, 18.75 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 34 + QB ALA 34 OK 100 100 - 100 Peak 957 from cnoeabs.peaks (8.38, 1.42, 18.75 ppm; 3.14 A): 1 out of 4 assignments used, quality = 0.85: * H ASP 35 + QB ALA 34 OK 85 100 - 85 - 3.6=66, 6380/2.1=28...(6) H GLN 27 - QB ALA 34 lone 7 99 - 7 - 953/2.1=2, 6377/2.9=2 H THR 65 - QB ALA 34 lone 2 87 - 3 - H HIS 3 - QB ALA 34 lone 1 81 - 1 - Peak 958 from cnoeabs.peaks (8.38, 4.52, 54.77 ppm; 3.53 A): 1 out of 4 assignments used, quality = 1.00: * H ASP 35 + HA ASP 35 OK 100 100 - 100 - 3.0=100 H THR 65 - HA ASP 35 OK 12 87 - 13 - 6839/3.0=4, 6387/3.6=3...(4) H GLN 27 - HA ASP 35 OK 11 99 - 11 - 6387/3.6=4, 963/3.0=2...(4) H HIS 3 - HA ASP 35 lone 1 81 - 1 - Peak 959 from cnoeabs.peaks (4.52, 4.52, 54.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASP 35 + HA ASP 35 OK 100 100 - 100 Peak 960 from cnoeabs.peaks (2.67, 4.52, 54.77 ppm; 3.42 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 35 + HA ASP 35 OK 100 100 - 100 - 3.0=100 Peak 961 from cnoeabs.peaks (2.75, 4.52, 54.77 ppm; 3.29 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ASP 35 + HA ASP 35 OK 100 100 - 100 - 3.0=100 HB2 ASP 64 - HA ASP 35 OK 17 100 - 17 - 6384/3.0=5, 6390/3.6=3...(8) HB2 CYS 73 - HA ASP 35 lone 5 99 - 4 - ~2333=1 HB2 TYR 76 - HA ASP 35 lone 1 65 - 2 - Peak 962 from cnoeabs.peaks (8.00, 4.52, 54.77 ppm; 3.30 A): 2 out of 3 assignments used, quality = 0.91: * H LYS 36 + HA ASP 35 OK 90 100 - 90 - 3.6=79, 6385/3.0=23...(5) H SER 94 + HA ASP 35 OK 13 96 - 14 - 6385/3.0=6, 972/3.0=3, 967/3.0=3 H ILE 129 - HA ASP 35 lone 2 81 - 2 - Peak 963 from cnoeabs.peaks (8.38, 2.67, 40.19 ppm; 3.73 A): 2 out of 4 assignments used, quality = 0.91: * H ASP 35 + HB2 ASP 35 OK 90 100 - 90 - 4.0=78, 6384/1.8=36...(4) H THR 65 + HB2 ASP 35 OK 11 87 - 13 - 6839/1.8=6, 958/3.0=3...(4) H GLN 27 - HB2 ASP 35 lone 10 99 - 10 - 6387/4.7=3, 968/1.8=3, 958/3.0=3 H HIS 3 - HB2 ASP 35 lone 1 81 - 1 - Peak 964 from cnoeabs.peaks (4.52, 2.67, 40.19 ppm; 3.50 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 35 + HB2 ASP 35 OK 100 100 - 100 - 3.0=100 Peak 965 from cnoeabs.peaks (2.67, 2.67, 40.19 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 35 + HB2 ASP 35 OK 100 100 - 100 Peak 966 from cnoeabs.peaks (2.75, 2.67, 40.19 ppm; 2.60 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ASP 35 + HB2 ASP 35 OK 100 100 - 100 - 1.8=100 HB2 ASP 64 - HB2 ASP 35 lone 9 100 - 8 - 961/3.0=2, 2052/4.0=2...(4) HB2 CYS 73 - HB2 ASP 35 lone 3 99 - 3 - HB2 TYR 76 - HB2 ASP 35 lone 1 65 - 1 - Peak 967 from cnoeabs.peaks (8.00, 2.67, 40.19 ppm; 4.16 A): 2 out of 3 assignments used, quality = 0.93: * H LYS 36 + HB2 ASP 35 OK 92 100 - 92 - 4.7=72, 6388/3.0=39...(4) H SER 94 + HB2 ASP 35 OK 17 96 - 18 - 972/1.8=7, 6385/4.0=7, 962/3.0=5 H ILE 129 - HB2 ASP 35 lone 3 81 - 4 - 972/1.8=2 Peak 968 from cnoeabs.peaks (8.38, 2.75, 40.19 ppm; 3.56 A): 2 out of 4 assignments used, quality = 0.89: * H ASP 35 + HB3 ASP 35 OK 86 100 - 86 - 4.0=68, 6383/1.8=44...(4) H THR 65 + HB3 ASP 35 OK 18 87 - 21 - 6839=7, 963/1.8=4...(7) H GLN 27 - HB3 ASP 35 lone 9 99 - 9 - 6387/4.7=3, 963/1.8=3, 958/3.0=2 H HIS 3 - HB3 ASP 35 lone 1 81 - 1 - Peak 969 from cnoeabs.peaks (4.52, 2.75, 40.19 ppm; 3.54 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 35 + HB3 ASP 35 OK 100 100 - 100 - 3.0=100 Peak 970 from cnoeabs.peaks (2.67, 2.75, 40.19 ppm; 2.58 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 35 + HB3 ASP 35 OK 100 100 - 100 - 1.8=100 Peak 971 from cnoeabs.peaks (2.75, 2.75, 40.19 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 35 + HB3 ASP 35 OK 100 100 - 100 Peak 972 from cnoeabs.peaks (8.00, 2.75, 40.19 ppm; 3.90 A): 2 out of 3 assignments used, quality = 0.90: * H LYS 36 + HB3 ASP 35 OK 88 100 - 88 - 4.7=59, 6389/1.8=40...(4) H SER 94 + HB3 ASP 35 OK 18 96 - 19 - 6385/4.0=6, 967/1.8=5...(5) H ILE 129 - HB3 ASP 35 lone 4 81 - 5 - 4.9/10463=1, 967/1.8=1 Peak 973 from cnoeabs.peaks (8.00, 4.27, 56.84 ppm; 3.05 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 36 + HA LYS 36 OK 100 100 - 100 - 3.0=100 H SER 94 - HA LYS 36 OK 21 96 - 23 - 9224/4.1=5, 995/3.0=5...(7) H ILE 129 - HA LYS 36 lone 4 81 - 5 - Peak 974 from cnoeabs.peaks (4.27, 4.27, 56.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 36 + HA LYS 36 OK 100 100 - 100 Peak 975 from cnoeabs.peaks (1.82, 4.27, 56.84 ppm; 2.75 A): 2 out of 11 assignments used, quality = 0.93: * HB2 LYS 36 + HA LYS 36 OK 91 100 - 91 - 3.0=76, 3.0/978=15...(16) HB3 LYS 31 + HA LYS 36 OK 23 92 - 25 - 6392/3.0=3, 1.8/800=2...(11) HB3 LYS 26 - HA LYS 36 OK 20 99 - 20 - 616=3, 3.0/977=2...(7) HB ILE 32 - HA LYS 36 OK 19 100 - 19 - ~10892=5, 6392/3.0=3...(6) HB3 LYS 24 - HA LYS 36 OK 19 98 - 19 - 2.9/977=3, 997/3.0=2...(7) HB2 LEU 100 - HA LYS 36 OK 11 92 - 12 - 1.8/977=2, 997/3.0=1...(4) HB3 LYS 19 - HA LYS 36 lone 9 92 - 10 - 997/3.0=1 HB3 LEU 123 - HA LYS 36 lone 7 69 - 10 - ~3922=2, 997/3.0=1 HB3 ARG 135 - HA LYS 36 lone 3 100 - 3 - HB3 ARG 23 - HA LYS 36 lone 2 87 - 2 - HB2 ARG 84 - HA LYS 36 lone 0 73 - 1 - Peak 976 from cnoeabs.peaks (1.88, 4.27, 56.84 ppm; 3.16 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LYS 36 + HA LYS 36 OK 100 100 - 100 - 3.0=100 HB3 LEU 123 - HA LYS 36 OK 29 92 - 31 - 987/3.0=5, 1009/4.1=5...(12) Peak 977 from cnoeabs.peaks (1.38, 4.27, 56.84 ppm; 2.95 A): 4 out of 14 assignments used, quality = 0.92: * HG2 LYS 36 + HA LYS 36 OK 85 100 - 85 - 4.1=37, 1.8/978=24...(26) HG2 LYS 24 + HA LYS 36 OK 26 100 - 26 - 999/3.0=3, 988/3.0=3...(8) HG3 LYS 26 + HA LYS 36 OK 21 100 - 21 - 3.0/975=2, 6394/3.0=2...(8) HB3 LEU 100 + HA LYS 36 OK 13 100 - 13 - 3243/3.0=2, 999/3.0=2...(5) QB ALA 108 - HA LYS 36 lone 5 96 - 5 - QB ALA 15 - HA LYS 36 lone 4 99 - 3 - HB2 LEU 96 - HA LYS 36 lone 3 100 - 3 - QB ALA 110 - HA LYS 36 lone 3 99 - 3 - HG3 LYS 95 - HA LYS 36 lone 3 92 - 3 - QB ALA 109 - HA LYS 36 lone 3 73 - 3 - QB ALA 29 - HA LYS 36 lone 2 100 - 2 - HG2 LYS 95 - HA LYS 36 lone 2 81 - 3 - QB ALA 28 - HA LYS 36 lone 2 98 - 2 - HB2 LEU 42 - HA LYS 36 lone 2 99 - 2 - Peak 978 from cnoeabs.peaks (1.47, 4.27, 56.84 ppm; 3.37 A): 2 out of 2 assignments used, quality = 0.94: * HG3 LYS 36 + HA LYS 36 OK 93 100 - 94 - 4.1=54, 989/3.0=24...(26) HG3 LYS 86 + HA LYS 36 OK 12 73 - 16 - 1000/3.0=4, 989/3.0=3...(5) Peak 979 from cnoeabs.peaks (1.67, 4.27, 56.84 ppm; 3.28 A): 2 out of 7 assignments used, quality = 0.99: * HD2 LYS 36 + HA LYS 36 OK 88 100 - 88 - 5.3=24, 3.0/978=22...(29) HD3 LYS 36 + HA LYS 36 OK 88 100 - 88 - 5.3=24, 3.0/978=22...(29) HD2 LYS 24 - HA LYS 36 OK 20 65 - 30 - 3.0/977=4, 1001/3.0=2...(12) HD2 LYS 31 - HA LYS 36 OK 18 65 - 28 - 3.5/975=3, 2.9/833=3...(9) HB2 LEU 69 - HA LYS 36 lone 9 100 - 9 - ~10898=3, 1002/3.0=1...(5) HD2 LYS 39 - HA LYS 36 lone 2 73 - 3 - QB ALA 88 - HA LYS 36 lone 1 65 - 1 - Peak 980 from cnoeabs.peaks (1.67, 4.27, 56.84 ppm; 3.28 A): 2 out of 7 assignments used, quality = 0.99: HD2 LYS 36 + HA LYS 36 OK 88 100 - 88 - 5.3=24, 3.0/978=22...(29) * HD3 LYS 36 + HA LYS 36 OK 88 100 - 88 - 5.3=24, 3.0/978=22...(29) HD2 LYS 24 - HA LYS 36 OK 20 65 - 30 - 3.0/977=4, 1001/3.0=2...(12) HD2 LYS 31 - HA LYS 36 OK 18 65 - 28 - 3.5/975=3, 2.9/833=3...(9) HB2 LEU 69 - HA LYS 36 lone 9 100 - 9 - ~10898=3, 1002/3.0=1...(5) HD2 LYS 39 - HA LYS 36 lone 2 73 - 3 - QB ALA 88 - HA LYS 36 lone 1 65 - 1 - Peak 983 from cnoeabs.peaks (7.97, 4.27, 56.84 ppm; 3.03 A): 2 out of 3 assignments used, quality = 0.86: * H ILE 37 + HA LYS 36 OK 84 100 - 84 - 3.6=61, 6402/3.0=24...(8) H THR 18 + HA LYS 36 OK 14 87 - 16 - 1005/3.0=4, 994/3.0=3...(5) H ASP 64 - HA LYS 36 poor 10 73 - 13 - 6400/3.0=2, 1005/3.0=2...(6) Peak 984 from cnoeabs.peaks (8.00, 1.82, 32.86 ppm; 3.24 A): 3 out of 9 assignments used, quality = 0.93: * H LYS 36 + HB2 LYS 36 OK 89 100 - 89 - 3.9=56, 6393/1.8=30...(13) H SER 94 + HB2 LYS 36 OK 28 96 - 30 - 9224/3.0=8, 995/1.8=8...(7) H LYS 36 + HB3 LYS 31 OK 13 37 - 35 - 11920/4.6=8, 6392=7...(12) H ILE 129 - HB2 LYS 36 lone 5 81 - 6 - 995/1.8=2, 1006/3.0=1 H LYS 36 - HB3 LYS 19 poor 4 31 - 11 - 6392=2, 3.0/975=1, 3.9/997=1 H SER 94 - HB3 LYS 31 lone 1 33 - 3 - H ILE 129 - HB3 LYS 31 lone 1 25 - 2 - H ILE 129 - HB3 LYS 19 lone 0 21 - 2 - H SER 94 - HB3 LYS 19 lone 0 27 - 1 - Peak 985 from cnoeabs.peaks (4.27, 1.82, 32.86 ppm; 2.61 A): 6 out of 42 assignments used, quality = 0.95: * HA LYS 36 + HB2 LYS 36 OK 85 100 - 85 - 3.0=65, 978/3.0=14...(16) HA LYS 31 + HB3 LYS 31 OK 31 36 - 85 - 3.0=65, 790/1.8=12...(20) HA LYS 31 + HB2 LYS 36 OK 22 99 - 22 - 791=3, 996/1.8=3...(8) HA LYS 19 + HB3 LYS 19 OK 16 18 - 85 - 3.0=69, 241/3.0=7...(23) HA LYS 26 + HB2 LYS 36 OK 14 87 - 16 - 996/1.8=2, 1007/3.0=2...(4) HB THR 115 + HB2 LYS 36 OK 11 100 - 11 - 10191/3.0=4, ~10196=2...(4) HA LYS 31 - HB3 LYS 19 poor 9 30 - 31 - 791=5, 790/1.8=4...(10) HA LYS 26 - HB3 LYS 31 poor 9 28 - 32 - 800/1.8=3, 833/3.0=2...(8) HA LYS 36 - HB3 LYS 31 poor 9 37 - 24 - 975=5, 3.0/6392=2...(10) HA LYS 19 - HB2 LYS 36 lone 7 73 - 10 - 996/1.8=1 HA LYS 26 - HB3 LYS 19 poor 7 23 - 30 - 241/3.0=3, 596=2...(9) HA LYS 19 - HB3 LYS 31 poor 6 22 - 29 - 3.0/6150=3, 800/1.8=2...(10) HA ALA 108 - HB2 LYS 36 lone 5 99 - 5 - HA LEU 22 - HB2 LYS 36 lone 4 99 - 4 - 996/1.8=1 HA ALA 109 - HB2 LYS 36 lone 4 99 - 3 - HA LYS 36 - HB3 LYS 19 lone 3 31 - 10 - 975=2 HA ALA 16 - HB2 LYS 36 lone 2 100 - 2 - HA ALA 15 - HB3 LYS 31 poor 2 16 - 11 - 800/1.8=1, ~809=1 HA ALA 108 - HB3 LYS 31 lone 1 36 - 4 - HA ALA 109 - HB3 LYS 31 lone 1 36 - 4 - HA ALA 110 - HB2 LYS 36 lone 1 65 - 2 - HA LEU 22 - HB3 LYS 31 lone 1 36 - 3 - HA GLN 61 - HB2 LYS 36 lone 1 87 - 1 - HA ALA 15 - HB2 LYS 36 lone 1 57 - 2 - HB THR 115 - HB3 LYS 31 lone 1 37 - 2 - HB THR 115 - HB3 LYS 19 lone 1 31 - 2 - HA ALA 16 - HB3 LYS 31 lone 0 37 - 1 - HA PHE 87 - HB2 LYS 36 lone 0 57 - 1 - HA GLN 61 - HB3 LYS 31 lone 0 28 - 1 - HA ALA 110 - HB3 LYS 31 lone 0 19 - 2 - HA PHE 87 - HB3 LYS 19 lone 0 13 - 2 - HA ALA 12 - HB3 LYS 19 lone 0 13 - 2 - HA LEU 22 - HB3 LYS 19 lone 0 30 - 1 - HA ALA 12 - HB2 LYS 36 lone 0 57 - 0 - HA ALA 108 - HB3 LYS 19 lone 0 30 - 1 - HA ALA 109 - HB3 LYS 19 lone 0 30 - 1 - HA ALA 16 - HB3 LYS 19 lone 0 31 - 0 - HA PHE 87 - HB3 LYS 31 lone 0 16 - 1 - HA ALA 15 - HB3 LYS 19 lone 0 13 - 1 - HA ALA 12 - HB3 LYS 31 lone 0 16 - 0 - HA GLN 61 - HB3 LYS 19 lone 0 23 - 0 - HA ALA 110 - HB3 LYS 19 lone 0 16 - 0 - Peak 986 from cnoeabs.peaks (1.82, 1.82, 32.86 ppm; diagonal): 1 out of 3 assignments used, quality = 1.00: * HB2 LYS 36 + HB2 LYS 36 OK 100 100 - 100 HB3 LYS 31 - HB3 LYS 31 OK 30 30 - 100 HB3 LYS 19 - HB3 LYS 19 OK 25 25 - 100 Peak 987 from cnoeabs.peaks (1.88, 1.82, 32.86 ppm; 2.50 A): 1 out of 6 assignments used, quality = 1.00: * HB3 LYS 36 + HB2 LYS 36 OK 100 100 - 100 - 1.8=100 HB3 LEU 123 - HB2 LYS 36 OK 24 92 - 26 - 1009/3.0=4, 1020/3.0=4...(13) HB3 LYS 36 - HB3 LYS 31 poor 9 37 - 23 - 997=5, 996/3.0=2...(6) HB3 LYS 36 - HB3 LYS 19 poor 4 31 - 11 - 997=2 HB3 LEU 123 - HB3 LYS 19 lone 2 26 - 7 - ~10701=2, ~10748=2 HB3 LEU 123 - HB3 LYS 31 lone 0 31 - 1 - Peak 988 from cnoeabs.peaks (1.38, 1.82, 32.86 ppm; 2.60 A): 2 out of 42 assignments used, quality = 0.91: * HG2 LYS 36 + HB2 LYS 36 OK 88 100 - 88 - 3.0=67, 1.8/989=22...(28) HG2 LYS 24 + HB2 LYS 36 OK 26 100 - 26 - 999/1.8=3, 977/3.0=3...(9) HG3 LYS 26 - HB2 LYS 36 OK 20 100 - 20 - 999/1.8=2, 977/3.0=2...(6) HB3 LEU 100 - HB2 LYS 36 OK 18 100 - 19 - 3243=2, 999/1.8=2...(8) HG3 LYS 26 - HB3 LYS 31 OK 16 37 - 43 - 1.8/629=3, 640=3...(12) HG2 LYS 24 - HB3 LYS 31 OK 16 37 - 42 - 515=4, 514/1.8=3...(15) HG2 LYS 24 - HB3 LYS 19 OK 12 31 - 40 - 517/3.0=4, 515=4...(14) HG3 LYS 26 - HB3 LYS 19 OK 11 31 - 36 - 639/1.8=3, 1.8/629=3...(9) HG2 LYS 36 - HB3 LYS 31 poor 8 37 - 21 - 1008=3, 1.8/1019=2...(6) QB ALA 108 - HB2 LYS 36 lone 4 96 - 4 - HB2 LEU 96 - HB2 LYS 36 lone 4 100 - 4 - HG2 LYS 36 - HB3 LYS 19 poor 4 31 - 12 - 1008=2, 1.8/1019=1, 3.0/997=1 QB ALA 15 - HB3 LYS 31 lone 3 36 - 9 - ~809=1 HG3 LYS 95 - HB3 LYS 31 lone 3 30 - 9 - QB ALA 15 - HB2 LYS 36 lone 3 99 - 2 - QB ALA 110 - HB2 LYS 36 lone 3 99 - 2 - QB ALA 29 - HB2 LYS 36 lone 2 100 - 2 - HB2 LEU 42 - HB2 LYS 36 lone 2 99 - 2 - HG3 LYS 95 - HB2 LYS 36 lone 2 92 - 2 - HB2 LEU 96 - HB3 LYS 31 lone 2 37 - 6 - 3070/3.0=2 QB ALA 109 - HB2 LYS 36 lone 2 73 - 3 - HG2 LYS 95 - HB3 LYS 31 lone 2 25 - 9 - HG2 LYS 95 - HB2 LYS 36 lone 2 81 - 2 - QB ALA 28 - HB2 LYS 36 lone 2 98 - 2 - QB ALA 29 - HB3 LYS 31 lone 1 37 - 4 - 2.1/10783=2 QB ALA 108 - HB3 LYS 31 lone 1 33 - 3 - QB ALA 109 - HB3 LYS 31 lone 1 22 - 3 - QB ALA 28 - HB3 LYS 31 lone 1 35 - 2 - QB ALA 110 - HB3 LYS 31 lone 0 36 - 1 - QB ALA 29 - HB3 LYS 19 lone 0 31 - 1 - HB3 LEU 100 - HB3 LYS 31 lone 0 37 - 1 - HG3 LYS 95 - HB3 LYS 19 lone 0 25 - 1 - HB3 LEU 100 - HB3 LYS 19 lone 0 31 - 1 - HB2 LEU 96 - HB3 LYS 19 lone 0 31 - 1 - QB ALA 15 - HB3 LYS 19 lone 0 30 - 1 - HG2 LYS 95 - HB3 LYS 19 lone 0 21 - 1 - QB ALA 28 - HB3 LYS 19 lone 0 29 - 1 - QB ALA 108 - HB3 LYS 19 lone 0 27 - 1 - QB ALA 110 - HB3 LYS 19 lone 0 30 - 0 - HB2 LEU 42 - HB3 LYS 31 lone 0 36 - 0 - HB2 LEU 42 - HB3 LYS 19 lone 0 30 - 0 - QB ALA 109 - HB3 LYS 19 lone 0 18 - 0 - Peak 989 from cnoeabs.peaks (1.47, 1.82, 32.86 ppm; 2.80 A): 1 out of 6 assignments used, quality = 0.95: * HG3 LYS 36 + HB2 LYS 36 OK 95 100 - 95 - 3.0=83, 978/3.0=16...(28) HG3 LYS 86 - HB2 LYS 36 OK 12 73 - 16 - 1000/1.8=3, 1011/3.0=2...(4) HG3 LYS 36 - HB3 LYS 31 poor 9 37 - 25 - 1019=3, 1.8/1008=3...(10) HG3 LYS 36 - HB3 LYS 19 poor 4 31 - 13 - 1019=2, 1.8/1008=2, 3.0/997=1 HG3 LYS 86 - HB3 LYS 31 lone 1 22 - 5 - HG3 LYS 86 - HB3 LYS 19 lone 0 18 - 2 - Peak 990 from cnoeabs.peaks (1.67, 1.82, 32.86 ppm; 2.96 A): 2 out of 21 assignments used, quality = 1.00: HD3 LYS 36 + HB2 LYS 36 OK 93 100 - 93 - 3.5=60, 3.0/989=19...(37) * HD2 LYS 36 + HB2 LYS 36 OK 93 100 - 93 - 3.5=60, 3.0/989=19...(37) HD2 LYS 24 - HB2 LYS 36 OK 20 65 - 31 - 3.0/988=3, 1001/1.8=2...(10) HD2 LYS 31 - HB3 LYS 31 OK 17 19 - 87 - 3.5=61, ~804=5, ~793=3...(39) HD2 LYS 31 - HB2 LYS 36 OK 16 65 - 25 - 1002/1.8=2, 980/3.0=2...(7) HB2 LEU 69 - HB2 LYS 36 OK 13 100 - 13 - 3.0/10898=6, ~10901=2...(5) HD3 LYS 36 - HB3 LYS 31 OK 10 37 - 28 - 1041=3, 3.0/1019=2...(6) HD2 LYS 36 - HB3 LYS 31 OK 10 37 - 28 - 1030=3, 3.0/1019=2...(6) HD2 LYS 24 - HB3 LYS 31 poor 9 19 - 48 - 3.0/515=2, 3.0/526=2...(23) HD2 LYS 31 - HB3 LYS 19 poor 7 16 - 44 - 2.9/835=3, 2.9/824=3...(8) HD2 LYS 24 - HB3 LYS 19 poor 7 16 - 42 - 3.0/515=2, 3.0/526=2...(13) HD2 LYS 36 - HB3 LYS 19 poor 6 31 - 18 - 1041=2, 3.0/1019=1...(5) HD3 LYS 36 - HB3 LYS 19 poor 6 31 - 18 - 1041=2, 3.0/1019=1...(5) HD2 LYS 39 - HB2 LYS 36 lone 2 73 - 3 - HB2 LEU 69 - HB3 LYS 31 lone 2 37 - 4 - 3.0/10898=1 QB ALA 88 - HB2 LYS 36 lone 1 65 - 1 - HD2 LYS 39 - HB3 LYS 31 lone 0 22 - 2 - HB2 LEU 69 - HB3 LYS 19 lone 0 31 - 1 - HD2 LYS 39 - HB3 LYS 19 lone 0 18 - 1 - QB ALA 88 - HB3 LYS 31 lone 0 19 - 1 - QB ALA 88 - HB3 LYS 19 lone 0 16 - 1 - Peak 991 from cnoeabs.peaks (1.67, 1.82, 32.86 ppm; 2.96 A): 2 out of 21 assignments used, quality = 1.00: * HD3 LYS 36 + HB2 LYS 36 OK 93 100 - 93 - 3.5=60, 3.0/989=19...(37) HD2 LYS 36 + HB2 LYS 36 OK 93 100 - 93 - 3.5=60, 3.0/989=19...(37) HD2 LYS 24 - HB2 LYS 36 OK 20 65 - 31 - 3.0/988=3, 1001/1.8=2...(10) HD2 LYS 31 - HB3 LYS 31 OK 17 19 - 87 - 3.5=61, ~804=5, ~793=3...(39) HD2 LYS 31 - HB2 LYS 36 OK 16 65 - 25 - 1002/1.8=2, 980/3.0=2...(7) HB2 LEU 69 - HB2 LYS 36 OK 13 100 - 13 - 3.0/10898=6, ~10901=2...(5) HD3 LYS 36 - HB3 LYS 31 OK 10 37 - 28 - 1041=3, 3.0/1019=2...(6) HD2 LYS 36 - HB3 LYS 31 OK 10 37 - 28 - 1030=3, 3.0/1019=2...(6) HD2 LYS 24 - HB3 LYS 31 poor 9 19 - 48 - 3.0/515=2, 3.0/526=2...(23) HD2 LYS 31 - HB3 LYS 19 poor 7 16 - 44 - 2.9/835=3, 2.9/824=3...(8) HD2 LYS 24 - HB3 LYS 19 poor 7 16 - 42 - 3.0/515=2, 3.0/526=2...(13) HD2 LYS 36 - HB3 LYS 19 poor 6 31 - 18 - 1041=2, 3.0/1019=1...(5) HD3 LYS 36 - HB3 LYS 19 poor 6 31 - 18 - 1041=2, 3.0/1019=1...(5) HD2 LYS 39 - HB2 LYS 36 lone 2 73 - 3 - HB2 LEU 69 - HB3 LYS 31 lone 2 37 - 4 - 3.0/10898=1 QB ALA 88 - HB2 LYS 36 lone 1 65 - 1 - HD2 LYS 39 - HB3 LYS 31 lone 0 22 - 2 - HB2 LEU 69 - HB3 LYS 19 lone 0 31 - 1 - HD2 LYS 39 - HB3 LYS 19 lone 0 18 - 1 - QB ALA 88 - HB3 LYS 31 lone 0 19 - 1 - QB ALA 88 - HB3 LYS 19 lone 0 16 - 1 - Peak 992 from cnoeabs.peaks (2.96, 1.82, 32.86 ppm; 3.79 A): 4 out of 33 assignments used, quality = 1.00: * HE2 LYS 36 + HB2 LYS 36 OK 94 100 - 94 - 4.9=46, 4.0/989=22...(39) HE3 LYS 36 + HB2 LYS 36 OK 90 96 - 94 - 4.9=46, 4.0/989=22...(39) HE2 LYS 24 + HB2 LYS 36 OK 51 99 - 51 - 1053/1.8=5, 1014/3.0=4...(32) HE3 LYS 24 + HB2 LYS 36 OK 45 96 - 48 - 1064/1.8=5, ~1053=3...(29) HE2 LYS 19 - HB3 LYS 19 OK 28 31 - 91 - 5.1=42, 318/3.0=15...(50) HE2 LYS 31 - HB2 LYS 36 OK 27 81 - 34 - 1064/1.8=3, 3.0/990=2...(13) HE2 LYS 19 - HB2 LYS 36 OK 26 100 - 26 - 1053/1.8=3, 1025/3.0=2...(10) HE3 LYS 19 - HB2 LYS 36 OK 22 81 - 27 - 1064/1.8=2, ~1053=2...(13) HE2 LYS 31 - HB3 LYS 31 OK 22 25 - 87 - 4.8=48, ~841=4...(63) HE2 LYS 24 - HB3 LYS 31 OK 21 36 - 58 - 558/1.8=4, 561/3.0=3...(33) HE3 LYS 31 - HB2 LYS 36 OK 20 57 - 36 - ~1064=2, 3.0/991=2...(16) HE2 LYS 19 - HB3 LYS 31 OK 19 37 - 51 - 3.8/273=5, 558/1.8=3...(26) HE3 LYS 19 - HB3 LYS 19 OK 18 21 - 89 - 5.1=42, 329/3.0=9...(44) HE3 LYS 24 - HB3 LYS 31 OK 16 33 - 50 - ~558=3, 4.0/515=3...(28) HE2 LYS 24 - HB3 LYS 19 OK 16 30 - 55 - 318/3.0=6, 558/1.8=4...(22) HE3 LYS 31 - HB3 LYS 31 OK 14 16 - 88 - 4.8=48, ~841=4...(66) HE3 LYS 24 - HB3 LYS 19 OK 13 27 - 49 - 318/3.0=6, ~318=4...(22) HE2 LYS 36 - HB3 LYS 31 OK 13 37 - 36 - 4.0/1019=3, 4.0/1008=3...(10) HE3 LYS 86 - HB2 LYS 36 OK 13 99 - 13 - 3.7/989=3, ~2697=3...(5) HE3 LYS 19 - HB3 LYS 31 OK 11 25 - 45 - 3.8/273=5, 2.9/306=3...(25) HE3 LYS 36 - HB3 LYS 31 OK 11 33 - 33 - 4.0/1019=3, 4.0/1008=3...(9) HE2 LYS 36 - HB3 LYS 19 OK 10 31 - 32 - 318/3.0=4, 558/1.8=2...(13) HE3 LYS 26 - HB3 LYS 31 poor 10 16 - 60 - 3.6/629=4, 3.6/640=2...(34) HE2 LYS 26 - HB3 LYS 31 poor 10 16 - 60 - 3.6/629=4, 3.6/640=2...(34) HE2 LYS 31 - HB3 LYS 19 poor 10 21 - 46 - 3.7/835=4, 3.7/824=4...(15) HE2 LYS 26 - HB2 LYS 36 poor 9 57 - 16 - 3.6/988=2, 3.6/629=2 HE3 LYS 26 - HB2 LYS 36 poor 9 57 - 16 - 3.6/988=2, 3.6/629=2 HE3 LYS 36 - HB3 LYS 19 poor 8 27 - 30 - 318/3.0=3, ~318=2...(13) HE3 LYS 31 - HB3 LYS 19 poor 6 13 - 46 - 3.7/835=4, 3.7/824=4...(11) HE2 LYS 26 - HB3 LYS 19 poor 6 13 - 46 - 3.6/629=3, 329/3.0=3...(16) HE3 LYS 26 - HB3 LYS 19 poor 6 13 - 46 - 3.6/629=3, 329/3.0=3...(16) HE3 LYS 86 - HB3 LYS 31 lone 2 36 - 6 - HE3 LYS 86 - HB3 LYS 19 lone 1 30 - 4 - Peak 993 from cnoeabs.peaks (2.96, 1.82, 32.86 ppm; 3.79 A): 3 out of 33 assignments used, quality = 1.00: * HE3 LYS 36 + HB2 LYS 36 OK 94 100 - 94 - 4.9=46, 4.0/989=22...(39) HE2 LYS 36 + HB2 LYS 36 OK 89 96 - 93 - 4.9=46, 4.0/989=22...(39) HE3 LYS 24 + HB2 LYS 36 OK 48 100 - 48 - 1064/1.8=5, ~1053=3...(29) HE2 LYS 24 - HB2 LYS 36 OK 43 87 - 50 - 1053/1.8=5, 1014/3.0=3...(32) HE2 LYS 31 - HB2 LYS 36 OK 34 98 - 34 - 1064/1.8=3, 1026/3.0=2...(13) HE3 LYS 31 - HB2 LYS 36 OK 32 87 - 37 - ~1064=2, 1015/3.0=2...(16) HE2 LYS 31 - HB3 LYS 31 OK 30 35 - 88 - 4.8=48, 840/3.0=6...(63) HE3 LYS 19 - HB2 LYS 36 OK 27 98 - 27 - 1064/1.8=2, 1015/3.0=2...(13) HE2 LYS 19 - HB3 LYS 19 OK 26 29 - 90 - 5.1=42, 318/3.0=15...(50) HE3 LYS 19 - HB3 LYS 19 OK 26 29 - 89 - 5.1=42, 329/3.0=13...(44) HE3 LYS 31 - HB3 LYS 31 OK 25 28 - 89 - 4.8=48, 840/3.0=6...(66) HE2 LYS 19 - HB2 LYS 36 OK 24 98 - 25 - 1053/1.8=3, 1025/3.0=2...(9) HE3 LYS 24 - HB3 LYS 31 OK 19 37 - 52 - 840/3.0=3, ~558=3...(28) HE2 LYS 19 - HB3 LYS 31 OK 18 35 - 51 - 3.8/273=5, 2.9/306=3...(26) HE3 LYS 26 - HB3 LYS 31 OK 17 28 - 62 - 3.6/629=4, 840/3.0=3...(36) HE2 LYS 26 - HB3 LYS 31 OK 17 28 - 62 - 3.6/629=4, 840/3.0=3...(36) HE3 LYS 19 - HB3 LYS 31 OK 16 35 - 47 - 3.8/273=5, 2.9/306=3...(26) HE2 LYS 24 - HB3 LYS 31 OK 16 28 - 56 - 558/1.8=3, 4.0/515=3...(33) HE3 LYS 24 - HB3 LYS 19 OK 15 31 - 49 - 318/3.0=6, ~318=4...(22) HE2 LYS 26 - HB2 LYS 36 OK 15 87 - 17 - 3.6/988=2, 3.6/629=2 HE3 LYS 26 - HB2 LYS 36 OK 15 87 - 17 - 3.6/988=2, 3.6/629=2 HE2 LYS 31 - HB3 LYS 19 OK 14 29 - 48 - 329/3.0=5, 3.7/835=4...(16) HE3 LYS 36 - HB3 LYS 31 OK 13 37 - 34 - 4.0/1019=3, 4.0/1008=3...(11) HE3 LYS 86 - HB2 LYS 36 OK 13 99 - 13 - 3.7/989=3, ~2697=3...(4) HE2 LYS 24 - HB3 LYS 19 OK 12 23 - 53 - 318/3.0=6, ~318=4...(22) HE2 LYS 36 - HB3 LYS 31 OK 12 33 - 35 - 4.0/1019=3, 4.0/1008=3...(10) HE3 LYS 31 - HB3 LYS 19 OK 11 23 - 49 - 329/3.0=4, 3.7/835=4...(14) HE3 LYS 26 - HB3 LYS 19 OK 11 23 - 48 - 329/3.0=4, 3.6/629=3...(20) HE2 LYS 26 - HB3 LYS 19 OK 11 23 - 48 - 329/3.0=4, 3.6/629=3...(20) HE3 LYS 36 - HB3 LYS 19 poor 9 31 - 29 - 318/3.0=3, ~318=2...(12) HE2 LYS 36 - HB3 LYS 19 poor 8 27 - 31 - 318/3.0=3, ~318=2...(13) HE3 LYS 86 - HB3 LYS 31 lone 2 36 - 6 - HE3 LYS 86 - HB3 LYS 19 lone 1 30 - 3 - Peak 994 from cnoeabs.peaks (7.97, 1.82, 32.86 ppm; 3.36 A): 3 out of 9 assignments used, quality = 0.87: * H ILE 37 + HB2 LYS 36 OK 83 100 - 83 - 4.6=39, 1005/1.8=27...(8) H THR 18 + HB2 LYS 36 OK 19 87 - 22 - 1005/1.8=6, 1027/3.0=4...(7) H ASP 64 + HB2 LYS 36 OK 10 73 - 13 - 1005/1.8=3, 983/3.0=3...(5) H THR 18 - HB3 LYS 19 poor 6 23 - 27 - 6144/3.9=16, 10683/3.0=9 H ILE 37 - HB3 LYS 31 poor 6 37 - 15 - 6404=3, 3.6/975=3...(5) H ILE 37 - HB3 LYS 19 lone 3 31 - 10 - 6404=2, 6144/3.9=2...(4) H THR 18 - HB3 LYS 31 lone 1 28 - 4 - 4.7/6150=3 H ASP 64 - HB3 LYS 31 lone 1 22 - 2 - H ASP 64 - HB3 LYS 19 lone 0 18 - 1 - Peak 995 from cnoeabs.peaks (8.00, 1.88, 32.86 ppm; 3.19 A): 2 out of 3 assignments used, quality = 0.90: * H LYS 36 + HB3 LYS 36 OK 86 100 - 86 - 3.9=53, 984/1.8=21...(16) H SER 94 + HB3 LYS 36 OK 26 96 - 28 - 9224/3.0=8, 984/1.8=7...(7) H ILE 129 - HB3 LYS 36 lone 5 81 - 6 - 984/1.8=1, 1006/3.0=1 Peak 996 from cnoeabs.peaks (4.27, 1.88, 32.86 ppm; 3.30 A): 1 out of 14 assignments used, quality = 1.00: * HA LYS 36 + HB3 LYS 36 OK 100 100 - 100 - 3.0=100 HA LYS 31 - HB3 LYS 36 OK 30 99 - 30 - 791/1.8=4, 1007/3.0=3...(10) HA LYS 26 - HB3 LYS 36 OK 20 87 - 23 - 3.0/997=3, 1007/3.0=3...(8) HB THR 115 - HB3 LYS 36 OK 17 100 - 17 - 10191/3.0=6, ~10196=3...(4) HA LEU 22 - HB3 LYS 36 OK 13 99 - 13 - 3.9/10899=8 HA LYS 19 - HB3 LYS 36 OK 11 73 - 14 - 3.0/997=2, 1007/3.0=1...(4) HA ALA 108 - HB3 LYS 36 lone 7 99 - 7 - HA ALA 109 - HB3 LYS 36 lone 6 99 - 6 - HA ALA 16 - HB3 LYS 36 lone 3 100 - 3 - HA GLN 61 - HB3 LYS 36 lone 3 87 - 3 - HA ALA 110 - HB3 LYS 36 lone 2 65 - 3 - HA ALA 15 - HB3 LYS 36 lone 2 57 - 4 - HA PHE 87 - HB3 LYS 36 lone 1 57 - 2 - HA ALA 12 - HB3 LYS 36 lone 0 57 - 1 - Peak 997 from cnoeabs.peaks (1.82, 1.88, 32.86 ppm; 2.50 A): 1 out of 11 assignments used, quality = 1.00: * HB2 LYS 36 + HB3 LYS 36 OK 100 100 - 100 - 1.8=100 HB3 LYS 31 - HB3 LYS 36 OK 20 92 - 22 - 987=3, 3.0/996=2...(6) HB3 LYS 24 - HB3 LYS 36 OK 17 98 - 18 - 2.9/999=2, 1008/3.0=2...(5) HB3 LYS 26 - HB3 LYS 36 OK 17 99 - 17 - 975/3.0=2, 3.0/999=2...(6) HB ILE 32 - HB3 LYS 36 OK 12 100 - 12 - 6392/3.9=2, 975/3.0=2...(4) HB2 LEU 100 - HB3 LYS 36 OK 12 92 - 13 - 1.8/999=2, ~3243=1...(4) HB3 LEU 123 - HB3 LYS 36 OK 10 69 - 15 - ~10900=3, 1.8/3922=2...(8) HB3 LYS 19 - HB3 LYS 36 poor 10 92 - 10 - 987=1 HB3 ARG 135 - HB3 LYS 36 lone 3 100 - 3 - HB3 ARG 23 - HB3 LYS 36 lone 1 87 - 1 - HB2 ARG 84 - HB3 LYS 36 lone 0 73 - 0 - Peak 998 from cnoeabs.peaks (1.88, 1.88, 32.86 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 36 + HB3 LYS 36 OK 100 100 - 100 Peak 999 from cnoeabs.peaks (1.38, 1.88, 32.86 ppm; 3.46 A): 1 out of 14 assignments used, quality = 1.00: * HG2 LYS 36 + HB3 LYS 36 OK 100 100 - 100 - 3.0=100 HG2 LYS 24 - HB3 LYS 36 OK 45 100 - 45 - 977/3.0=5, 988/1.8=5...(19) HG3 LYS 26 - HB3 LYS 36 OK 32 100 - 32 - 977/3.0=4, 988/1.8=3...(13) HB3 LEU 100 - HB3 LYS 36 OK 27 100 - 28 - 3243/1.8=5, 1.8/997=3...(12) QB ALA 108 - HB3 LYS 36 lone 8 96 - 8 - 2.1/996=1 HB2 LEU 96 - HB3 LYS 36 lone 6 100 - 6 - QB ALA 15 - HB3 LYS 36 lone 5 99 - 5 - QB ALA 110 - HB3 LYS 36 lone 5 99 - 4 - HB2 LEU 42 - HB3 LYS 36 lone 4 99 - 4 - QB ALA 109 - HB3 LYS 36 lone 4 73 - 6 - QB ALA 29 - HB3 LYS 36 lone 4 100 - 4 - HG3 LYS 95 - HB3 LYS 36 lone 4 92 - 4 - HG2 LYS 95 - HB3 LYS 36 lone 3 81 - 4 - QB ALA 28 - HB3 LYS 36 lone 3 98 - 3 - Peak 1000 from cnoeabs.peaks (1.47, 1.88, 32.86 ppm; 3.49 A): 1 out of 2 assignments used, quality = 1.00: * HG3 LYS 36 + HB3 LYS 36 OK 100 100 - 100 - 3.0=100 HG3 LYS 86 - HB3 LYS 36 OK 18 73 - 24 - 989/1.8=4, 1011/3.0=3...(10) Peak 1001 from cnoeabs.peaks (1.67, 1.88, 32.86 ppm; 4.14 A): 2 out of 7 assignments used, quality = 1.00: * HD2 LYS 36 + HB3 LYS 36 OK 100 100 - 100 - 3.5=100 HD3 LYS 36 + HB3 LYS 36 OK 100 100 - 100 - 3.5=100 HD2 LYS 24 - HB3 LYS 36 OK 38 65 - 59 - 3.0/999=6, 3.0/1053=5...(27) HD2 LYS 31 - HB3 LYS 36 OK 33 65 - 50 - 3.5/997=4, 979/3.0=3...(19) HB2 LEU 69 - HB3 LYS 36 OK 21 100 - 21 - ~10898=7, ~10901=4...(8) HD2 LYS 39 - HB3 LYS 36 lone 4 73 - 5 - QB ALA 88 - HB3 LYS 36 lone 1 65 - 1 - Peak 1002 from cnoeabs.peaks (1.67, 1.88, 32.86 ppm; 4.14 A): 2 out of 7 assignments used, quality = 1.00: HD2 LYS 36 + HB3 LYS 36 OK 100 100 - 100 - 3.5=100 * HD3 LYS 36 + HB3 LYS 36 OK 100 100 - 100 - 3.5=100 HD2 LYS 24 - HB3 LYS 36 OK 38 65 - 59 - 3.0/999=6, 3.0/1053=5...(27) HD2 LYS 31 - HB3 LYS 36 OK 33 65 - 50 - 3.5/997=4, 979/3.0=3...(19) HB2 LEU 69 - HB3 LYS 36 OK 21 100 - 21 - ~10898=7, ~10901=4...(8) HD2 LYS 39 - HB3 LYS 36 lone 4 73 - 5 - QB ALA 88 - HB3 LYS 36 lone 1 65 - 1 - Peak 1003 from cnoeabs.peaks (2.96, 1.88, 32.86 ppm; 4.99 A): 4 out of 11 assignments used, quality = 1.00: * HE2 LYS 36 + HB3 LYS 36 OK 100 100 - 100 - 4.9=100 HE3 LYS 36 + HB3 LYS 36 OK 96 96 - 100 - 4.9=100 HE2 LYS 24 + HB3 LYS 36 OK 70 99 - 71 - 1053=7, 4.0/999=7...(36) HE3 LYS 24 + HB3 LYS 36 OK 65 96 - 68 - 1.8/1053=7, 4.0/999=7...(33) HE2 LYS 31 - HB3 LYS 36 OK 41 81 - 51 - 3.0/1001=4, 4.8/997=4...(27) HE2 LYS 19 - HB3 LYS 36 OK 40 100 - 39 - 1053=4, 1.8/1064=3...(16) HE3 LYS 19 - HB3 LYS 36 OK 32 81 - 39 - 1.8/1053=4, 1064=3...(18) HE3 LYS 31 - HB3 LYS 36 OK 30 57 - 53 - 3.0/1001=4, 1.8/1064=4...(22) HE3 LYS 86 - HB3 LYS 36 OK 22 99 - 22 - 3.7/1000=6, ~2697=5...(7) HE2 LYS 26 - HB3 LYS 36 OK 15 57 - 27 - 3.6/999=5, 4.8/997=3...(5) HE3 LYS 26 - HB3 LYS 36 OK 15 57 - 27 - 3.6/999=5, 4.8/997=3...(5) Peak 1004 from cnoeabs.peaks (2.96, 1.88, 32.86 ppm; 4.99 A): 6 out of 11 assignments used, quality = 1.00: * HE3 LYS 36 + HB3 LYS 36 OK 100 100 - 100 - 4.9=100 HE2 LYS 36 + HB3 LYS 36 OK 96 96 - 100 - 4.9=100 HE3 LYS 24 + HB3 LYS 36 OK 68 100 - 68 - 1.8/1053=7, 4.0/999=7...(33) HE2 LYS 24 + HB3 LYS 36 OK 61 87 - 70 - 4.0/999=7, 1053=6...(36) HE2 LYS 31 + HB3 LYS 36 OK 50 98 - 51 - 3.0/1001=4, 1064=4...(27) HE3 LYS 31 + HB3 LYS 36 OK 47 87 - 54 - 3.0/1001=4, 1.8/1064=4...(23) HE3 LYS 19 - HB3 LYS 36 OK 40 98 - 40 - 1.8/1053=4, 1064=3...(20) HE2 LYS 19 - HB3 LYS 36 OK 38 98 - 38 - 1053=3, 1.8/1064=3...(14) HE2 LYS 26 - HB3 LYS 36 OK 24 87 - 27 - 3.6/999=5, 4.8/997=3...(5) HE3 LYS 26 - HB3 LYS 36 OK 24 87 - 27 - 3.6/999=5, 4.8/997=3...(5) HE3 LYS 86 - HB3 LYS 36 OK 21 99 - 21 - 3.7/1000=6, ~2697=5...(7) Peak 1005 from cnoeabs.peaks (7.97, 1.88, 32.86 ppm; 3.32 A): 2 out of 3 assignments used, quality = 0.84: * H ILE 37 + HB3 LYS 36 OK 81 100 - 81 - 4.6=37, 994/1.8=22...(8) H THR 18 + HB3 LYS 36 OK 18 87 - 20 - 994/1.8=5, 1027/3.0=4...(7) H ASP 64 - HB3 LYS 36 poor 10 73 - 13 - 994/1.8=3, 983/3.0=3...(5) Peak 1006 from cnoeabs.peaks (8.00, 1.38, 24.92 ppm; 3.95 A): 1 out of 3 assignments used, quality = 0.95: * H LYS 36 + HG2 LYS 36 OK 95 100 - 95 - 5.0=48, 6395/1.8=37...(19) H SER 94 - HG2 LYS 36 OK 38 96 - 40 - 9224/1.8=15, 995/3.0=8...(9) H ILE 129 - HG2 LYS 36 lone 7 81 - 8 - 1017/1.8=2, 995/3.0=2, 984/3.0=1 Peak 1007 from cnoeabs.peaks (4.27, 1.38, 24.92 ppm; 3.55 A): 1 out of 14 assignments used, quality = 0.96: * HA LYS 36 + HG2 LYS 36 OK 96 100 - 96 - 4.1=64, 978/1.8=34...(26) HA LYS 31 - HG2 LYS 36 OK 32 99 - 33 - 1018/1.8=5, 996/3.0=4...(10) HA LYS 26 - HG2 LYS 36 OK 24 87 - 28 - 1018/1.8=4, 3.0/1008=3...(13) HB THR 115 - HG2 LYS 36 OK 23 100 - 24 - 10191=10, 2.1/10196=4...(7) HA LYS 19 - HG2 LYS 36 OK 13 73 - 18 - 1018/1.8=2, 3.0/1008=2...(6) HA ALA 108 - HG2 LYS 36 lone 9 99 - 9 - 1018/1.8=1, 3516=1, 996/3.0=1 HA ALA 109 - HG2 LYS 36 lone 6 99 - 6 - 1018/1.8=1 HA LEU 22 - HG2 LYS 36 lone 5 99 - 5 - 996/3.0=2 HA ALA 16 - HG2 LYS 36 lone 4 100 - 4 - HA ALA 110 - HG2 LYS 36 lone 3 65 - 4 - HA ALA 15 - HG2 LYS 36 lone 2 57 - 4 - HA GLN 61 - HG2 LYS 36 lone 2 87 - 2 - HA PHE 87 - HG2 LYS 36 lone 2 57 - 3 - ~7159=1 HA ALA 12 - HG2 LYS 36 lone 0 57 - 1 - Peak 1008 from cnoeabs.peaks (1.82, 1.38, 24.92 ppm; 3.11 A): 1 out of 11 assignments used, quality = 1.00: * HB2 LYS 36 + HG2 LYS 36 OK 100 100 - 100 - 3.0=100 HB3 LYS 24 - HG2 LYS 36 OK 30 98 - 30 - 1019/1.8=3, 997/3.0=3...(15) HB3 LYS 26 - HG2 LYS 36 OK 29 99 - 29 - 1019/1.8=3, 620=3...(13) HB3 LYS 31 - HG2 LYS 36 OK 28 92 - 30 - 1019/1.8=4, 3.0/1007=3...(10) HB2 LEU 100 - HG2 LYS 36 OK 23 92 - 25 - 3235=3, 1019/1.8=2...(11) HB3 LEU 123 - HG2 LYS 36 OK 22 69 - 32 - 3.2/10900=15, ~10901=5...(11) HB ILE 32 - HG2 LYS 36 OK 21 100 - 21 - 1019/1.8=3, ~10837=3...(10) HB3 LYS 19 - HG2 LYS 36 OK 15 92 - 16 - 1019/1.8=2, 997/3.0=1 HB3 ARG 135 - HG2 LYS 36 lone 3 100 - 3 - HB3 ARG 23 - HG2 LYS 36 lone 3 87 - 3 - HB2 ARG 84 - HG2 LYS 36 lone 1 73 - 1 - Peak 1009 from cnoeabs.peaks (1.88, 1.38, 24.92 ppm; 3.36 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 36 + HG2 LYS 36 OK 100 100 - 100 - 3.0=100 HB3 LEU 123 + HG2 LYS 36 OK 47 92 - 51 - 3.2/10900=17...(17) Peak 1010 from cnoeabs.peaks (1.38, 1.38, 24.92 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 36 + HG2 LYS 36 OK 100 100 - 100 Peak 1011 from cnoeabs.peaks (1.47, 1.38, 24.92 ppm; 2.50 A): 1 out of 2 assignments used, quality = 1.00: * HG3 LYS 36 + HG2 LYS 36 OK 100 100 - 100 - 1.8=100 HG3 LYS 86 - HG2 LYS 36 poor 10 73 - 13 - 1000/3.0=2, 989/3.0=2...(5) Peak 1012 from cnoeabs.peaks (1.67, 1.38, 24.92 ppm; 2.84 A): 2 out of 7 assignments used, quality = 1.00: * HD2 LYS 36 + HG2 LYS 36 OK 97 100 - 97 - 3.0=87, 1033/1.8=17...(31) HD3 LYS 36 + HG2 LYS 36 OK 97 100 - 97 - 3.0=87, 1033/1.8=17...(31) HD2 LYS 24 - HG2 LYS 36 OK 20 65 - 31 - 1024/1.8=3, 3.0/1014=2...(11) HD2 LYS 31 - HG2 LYS 36 OK 14 65 - 21 - 1024/1.8=2, 3.5/1008=2...(8) HB2 LEU 69 - HG2 LYS 36 OK 12 100 - 12 - ~10901=2, ~10898=2...(4) HD2 LYS 39 - HG2 LYS 36 lone 4 73 - 6 - QB ALA 88 - HG2 LYS 36 lone 0 65 - 0 - Peak 1013 from cnoeabs.peaks (1.67, 1.38, 24.92 ppm; 2.84 A): 2 out of 7 assignments used, quality = 1.00: HD2 LYS 36 + HG2 LYS 36 OK 97 100 - 97 - 3.0=87, 1033/1.8=17...(31) * HD3 LYS 36 + HG2 LYS 36 OK 97 100 - 97 - 3.0=87, 1033/1.8=17...(31) HD2 LYS 24 - HG2 LYS 36 OK 20 65 - 31 - 1024/1.8=3, 3.0/1014=2...(11) HD2 LYS 31 - HG2 LYS 36 OK 14 65 - 21 - 1024/1.8=2, 3.5/1008=2...(8) HB2 LEU 69 - HG2 LYS 36 OK 12 100 - 12 - ~10901=2, ~10898=2...(4) HD2 LYS 39 - HG2 LYS 36 lone 4 73 - 6 - QB ALA 88 - HG2 LYS 36 lone 0 65 - 0 - Peak 1014 from cnoeabs.peaks (2.96, 1.38, 24.92 ppm; 3.43 A): 3 out of 11 assignments used, quality = 1.00: * HE2 LYS 36 + HG2 LYS 36 OK 94 100 - 94 - 4.0=63, 3.0/1013=13...(38) HE3 LYS 36 + HG2 LYS 36 OK 90 96 - 94 - 4.0=63, 3.0/1012=13...(40) HE2 LYS 24 + HG2 LYS 36 OK 46 99 - 46 - 560=4, 1025/1.8=4...(23) HE3 LYS 24 - HG2 LYS 36 OK 40 96 - 42 - 1025/1.8=4, 1.8/560=4...(21) HE2 LYS 19 - HG2 LYS 36 OK 23 100 - 22 - 1025/1.8=2, 560=2...(7) HE2 LYS 31 - HG2 LYS 36 OK 20 81 - 25 - 1026/1.8=2, 1064/3.0=2...(8) HE3 LYS 19 - HG2 LYS 36 OK 19 81 - 24 - 1026/1.8=2, 1.8/560=2...(9) HE3 LYS 31 - HG2 LYS 36 OK 16 57 - 27 - 1026/1.8=2, 3.0/1012=2...(10) HE3 LYS 86 - HG2 LYS 36 OK 13 99 - 12 - ~2697=3, 3.7/1011=2...(5) HE2 LYS 26 - HG2 LYS 36 poor 8 57 - 13 - 3.6/631=2, 4.8/1008=2 HE3 LYS 26 - HG2 LYS 36 poor 8 57 - 13 - 3.6/631=2, 4.8/1008=2 Peak 1015 from cnoeabs.peaks (2.96, 1.38, 24.92 ppm; 3.43 A): 2 out of 11 assignments used, quality = 0.99: * HE3 LYS 36 + HG2 LYS 36 OK 94 100 - 94 - 4.0=63, 3.0/1012=13...(40) HE2 LYS 36 + HG2 LYS 36 OK 89 96 - 94 - 4.0=63, 3.0/1013=13...(38) HE3 LYS 24 - HG2 LYS 36 OK 42 100 - 43 - 1066/1.8=4, 1.8/560=4...(21) HE2 LYS 24 - HG2 LYS 36 OK 39 87 - 45 - 1025/1.8=4, 560=3...(23) HE2 LYS 31 - HG2 LYS 36 OK 25 98 - 26 - 1026/1.8=2, 1064/3.0=2...(9) HE3 LYS 31 - HG2 LYS 36 OK 25 87 - 29 - 1026/1.8=2, 3.0/1013=2...(11) HE3 LYS 19 - HG2 LYS 36 OK 24 98 - 24 - 1026/1.8=2, 1.8/560=2...(9) HE2 LYS 19 - HG2 LYS 36 OK 21 98 - 21 - 1025/1.8=2, 1053/3.0=2...(7) HE3 LYS 86 - HG2 LYS 36 OK 12 99 - 12 - ~2697=3, 3.7/1011=2...(5) HE2 LYS 26 - HG2 LYS 36 OK 12 87 - 14 - 3.6/631=2, 4.8/1008=2 HE3 LYS 26 - HG2 LYS 36 OK 12 87 - 14 - 3.6/631=2, 4.8/1008=2 Peak 1016 from cnoeabs.peaks (7.97, 1.38, 24.92 ppm; 4.31 A): 3 out of 3 assignments used, quality = 0.93: * H ILE 37 + HG2 LYS 36 OK 89 100 - 89 - 6407/1.8=34, 1005/3.0=30...(9) H THR 18 + HG2 LYS 36 OK 26 87 - 30 - 1027/1.8=8, 1005/3.0=7...(7) H ASP 64 + HG2 LYS 36 OK 14 73 - 19 - 1027/1.8=4, 1005/3.0=4...(7) Peak 1017 from cnoeabs.peaks (8.00, 1.47, 24.92 ppm; 3.98 A): 1 out of 3 assignments used, quality = 0.95: * H LYS 36 + HG3 LYS 36 OK 95 100 - 95 - 5.0=49, 3.0/978=31...(19) H SER 94 - HG3 LYS 36 OK 40 96 - 42 - 9224=11, 1006/1.8=10...(10) H ILE 129 - HG3 LYS 36 lone 7 81 - 8 - 1006/1.8=2, 995/3.0=2...(4) Peak 1018 from cnoeabs.peaks (4.27, 1.47, 24.92 ppm; 3.83 A): 1 out of 14 assignments used, quality = 0.98: * HA LYS 36 + HG3 LYS 36 OK 98 100 - 99 - 4.1=80, 3.0/989=29...(27) HA LYS 31 - HG3 LYS 36 OK 36 99 - 36 - 1007/1.8=6, 996/3.0=5...(10) HA LYS 26 - HG3 LYS 36 OK 26 87 - 30 - 1007/1.8=4, 3.0/1019=3...(12) HB THR 115 - HG3 LYS 36 OK 24 100 - 24 - 10191/1.8=10, ~10196=7...(6) HA LYS 19 - HG3 LYS 36 OK 14 73 - 19 - 1007/1.8=2, 3.0/1019=2...(7) HA ALA 108 - HG3 LYS 36 lone 9 99 - 9 - 1007/1.8=2, 996/3.0=1 HA ALA 109 - HG3 LYS 36 lone 7 99 - 7 - 1007/1.8=1 HA LEU 22 - HG3 LYS 36 lone 6 99 - 6 - 996/3.0=2 HA ALA 16 - HG3 LYS 36 lone 4 100 - 4 - HA ALA 110 - HG3 LYS 36 lone 3 65 - 4 - HA GLN 61 - HG3 LYS 36 lone 2 87 - 3 - HA ALA 15 - HG3 LYS 36 lone 2 57 - 4 - HA PHE 87 - HG3 LYS 36 lone 2 57 - 4 - 4.9/2615=1, 2.9/7159=1 HA ALA 12 - HG3 LYS 36 lone 0 57 - 1 - Peak 1019 from cnoeabs.peaks (1.82, 1.47, 24.92 ppm; 3.31 A): 1 out of 11 assignments used, quality = 1.00: * HB2 LYS 36 + HG3 LYS 36 OK 100 100 - 100 - 3.0=100 HB3 LYS 31 - HG3 LYS 36 OK 32 92 - 35 - 989=4, 1008/1.8=4...(11) HB3 LYS 24 - HG3 LYS 36 OK 30 98 - 31 - 1008/1.8=4, 2.9/1021=4...(12) HB3 LYS 26 - HG3 LYS 36 OK 29 99 - 29 - 1008/1.8=4, 3.0/1021=3...(11) HB ILE 32 - HG3 LYS 36 OK 23 100 - 23 - ~10837=3, 1008/1.8=3...(11) HB3 LEU 123 - HG3 LYS 36 OK 23 69 - 33 - ~10900=10, 3.2/10901=9...(10) HB2 LEU 100 - HG3 LYS 36 OK 21 92 - 23 - 1.8/1021=4, 1008/1.8=3...(11) HB3 LYS 19 - HG3 LYS 36 OK 17 92 - 18 - 1008/1.8=2, 989=2...(4) HB3 ARG 135 - HG3 LYS 36 lone 4 100 - 4 - HB3 ARG 23 - HG3 LYS 36 lone 2 87 - 2 - HB2 ARG 84 - HG3 LYS 36 lone 1 73 - 1 - Peak 1020 from cnoeabs.peaks (1.88, 1.47, 24.92 ppm; 3.45 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 36 + HG3 LYS 36 OK 100 100 - 100 - 3.0=100 HB3 LEU 123 + HG3 LYS 36 OK 48 92 - 52 - 1009/1.8=12, ~10900=11...(17) Peak 1021 from cnoeabs.peaks (1.38, 1.47, 24.92 ppm; 2.50 A): 1 out of 14 assignments used, quality = 1.00: * HG2 LYS 36 + HG3 LYS 36 OK 100 100 - 100 - 1.8=100 HG2 LYS 24 - HG3 LYS 36 OK 21 100 - 21 - 999/3.0=2, 988/3.0=2...(9) HG3 LYS 26 - HG3 LYS 36 OK 15 100 - 15 - 999/3.0=2, 3.0/1019=1...(4) HB3 LEU 100 - HG3 LYS 36 OK 13 100 - 13 - 3243/3.0=2, 1.8/1019=1...(5) QB ALA 108 - HG3 LYS 36 lone 4 96 - 4 - HB2 LEU 96 - HG3 LYS 36 lone 3 100 - 3 - HB2 LEU 42 - HG3 LYS 36 lone 2 99 - 2 - QB ALA 15 - HG3 LYS 36 lone 2 99 - 2 - QB ALA 110 - HG3 LYS 36 lone 2 99 - 2 - QB ALA 109 - HG3 LYS 36 lone 2 73 - 3 - QB ALA 29 - HG3 LYS 36 lone 2 100 - 2 - HG3 LYS 95 - HG3 LYS 36 lone 2 92 - 2 - QB ALA 28 - HG3 LYS 36 lone 2 98 - 2 - HG2 LYS 95 - HG3 LYS 36 lone 1 81 - 2 - Peak 1022 from cnoeabs.peaks (1.47, 1.47, 24.92 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 36 + HG3 LYS 36 OK 100 100 - 100 Peak 1023 from cnoeabs.peaks (1.67, 1.47, 24.92 ppm; 2.94 A): 2 out of 7 assignments used, quality = 1.00: * HD2 LYS 36 + HG3 LYS 36 OK 99 100 - 99 - 3.0=96, 1.8/1033=18...(36) HD3 LYS 36 + HG3 LYS 36 OK 99 100 - 99 - 3.0=96, 1.8/1033=18...(36) HD2 LYS 24 - HG3 LYS 36 OK 21 65 - 32 - 3.0/1021=3, 1012/1.8=3...(11) HD2 LYS 31 - HG3 LYS 36 OK 15 65 - 23 - 1013/1.8=2, 3.5/1019=2...(8) HB2 LEU 69 - HG3 LYS 36 OK 14 100 - 14 - 3.0/10901=3, ~10898=2...(5) HD2 LYS 39 - HG3 LYS 36 lone 4 73 - 5 - QB ALA 88 - HG3 LYS 36 lone 0 65 - 1 - Peak 1024 from cnoeabs.peaks (1.67, 1.47, 24.92 ppm; 2.94 A): 2 out of 7 assignments used, quality = 1.00: HD2 LYS 36 + HG3 LYS 36 OK 99 100 - 99 - 3.0=96, 1.8/1033=18...(36) * HD3 LYS 36 + HG3 LYS 36 OK 99 100 - 99 - 3.0=96, 1.8/1033=18...(36) HD2 LYS 24 - HG3 LYS 36 OK 21 65 - 32 - 3.0/1021=3, 1012/1.8=3...(11) HD2 LYS 31 - HG3 LYS 36 OK 15 65 - 23 - 1013/1.8=2, 3.5/1019=2...(8) HB2 LEU 69 - HG3 LYS 36 OK 14 100 - 14 - 3.0/10901=3, ~10898=2...(5) HD2 LYS 39 - HG3 LYS 36 lone 4 73 - 5 - QB ALA 88 - HG3 LYS 36 lone 0 65 - 1 - Peak 1025 from cnoeabs.peaks (2.96, 1.47, 24.92 ppm; 3.55 A): 3 out of 11 assignments used, quality = 1.00: * HE2 LYS 36 + HG3 LYS 36 OK 96 100 - 96 - 4.0=70, 3.0/1044=16...(39) HE3 LYS 36 + HG3 LYS 36 OK 92 96 - 96 - 4.0=70, 3.0/1033=16...(41) HE2 LYS 24 + HG3 LYS 36 OK 49 99 - 49 - 1055=5, 1014/1.8=5...(24) HE3 LYS 24 - HG3 LYS 36 OK 44 96 - 46 - 1066=4, 1.8/1055=4...(22) HE2 LYS 19 - HG3 LYS 36 OK 25 100 - 25 - 1055=3, 1014/1.8=2...(6) HE2 LYS 31 - HG3 LYS 36 OK 23 81 - 28 - 1066=2, 1015/1.8=2...(13) HE3 LYS 19 - HG3 LYS 36 OK 21 81 - 25 - 1.8/1055=2, 1015/1.8=2...(8) HE3 LYS 31 - HG3 LYS 36 OK 17 57 - 30 - 1.8/1066=2, 1015/1.8=2...(14) HE3 LYS 86 - HG3 LYS 36 OK 15 99 - 15 - 1.8/2697=3, 3.7/2653=1...(8) HE2 LYS 26 - HG3 LYS 36 poor 8 57 - 14 - 3.6/1021=3, 4.8/1019=2 HE3 LYS 26 - HG3 LYS 36 poor 8 57 - 14 - 3.6/1021=3, 4.8/1019=2 Peak 1026 from cnoeabs.peaks (2.96, 1.47, 24.92 ppm; 3.55 A): 3 out of 11 assignments used, quality = 1.00: * HE3 LYS 36 + HG3 LYS 36 OK 96 100 - 96 - 4.0=70, 3.0/1044=16...(41) HE2 LYS 36 + HG3 LYS 36 OK 92 96 - 96 - 4.0=70, 3.0/1033=16...(39) HE3 LYS 24 + HG3 LYS 36 OK 46 100 - 47 - 1066=5, 1.8/1055=4...(22) HE2 LYS 24 - HG3 LYS 36 OK 42 87 - 48 - 1055=5, 1.8/1066=4...(24) HE2 LYS 31 - HG3 LYS 36 OK 28 98 - 29 - 1066=3, 1015/1.8=2...(13) HE3 LYS 31 - HG3 LYS 36 OK 27 87 - 31 - 1015/1.8=2, 1.8/1066=2...(15) HE3 LYS 19 - HG3 LYS 36 OK 26 98 - 26 - 1015/1.8=2, 1066=2...(8) HE2 LYS 19 - HG3 LYS 36 OK 24 98 - 24 - 1055=2, 1014/1.8=2...(6) HE3 LYS 86 - HG3 LYS 36 OK 15 99 - 15 - 1.8/2697=3, 3.7/2653=1...(8) HE2 LYS 26 - HG3 LYS 36 OK 12 87 - 14 - 3.6/1021=3, 4.8/1019=2 HE3 LYS 26 - HG3 LYS 36 OK 12 87 - 14 - 3.6/1021=3, 4.8/1019=2 Peak 1027 from cnoeabs.peaks (7.97, 1.47, 24.92 ppm; 4.07 A): 3 out of 3 assignments used, quality = 0.92: * H ILE 37 + HG3 LYS 36 OK 88 100 - 89 - 6407=37, 3.6/978=28...(9) H THR 18 + HG3 LYS 36 OK 24 87 - 27 - 1016/1.8=7, 1005/3.0=6...(7) H ASP 64 + HG3 LYS 36 OK 13 73 - 17 - 1016/1.8=4, 1005/3.0=3...(7) Peak 1028 from cnoeabs.peaks (8.00, 1.67, 28.90 ppm; 4.30 A): 2 out of 6 assignments used, quality = 1.00: H LYS 36 + HD3 LYS 36 OK 95 100 - 95 - 6.1=34, 6395/3.0=33...(24) * H LYS 36 + HD2 LYS 36 OK 95 100 - 95 - 6.1=34, 6395/3.0=33...(24) H SER 94 - HD3 LYS 36 OK 37 96 - 39 - 9224/3.0=14, 1006/3.0=9...(6) H SER 94 - HD2 LYS 36 OK 37 96 - 39 - 9224/3.0=14, 1006/3.0=9...(6) H ILE 129 - HD3 LYS 36 lone 7 81 - 8 - 1006/3.0=2, 1017/3.0=2...(4) H ILE 129 - HD2 LYS 36 lone 7 81 - 8 - 1006/3.0=2, 1017/3.0=2...(4) Peak 1029 from cnoeabs.peaks (4.27, 1.67, 28.90 ppm; 3.10 A): 2 out of 28 assignments used, quality = 0.98: * HA LYS 36 + HD2 LYS 36 OK 85 100 - 85 - 5.3=20, 978/3.0=20...(28) HA LYS 36 + HD3 LYS 36 OK 85 100 - 85 - 5.3=20, 978/3.0=20...(28) HA LYS 31 - HD2 LYS 36 OK 26 99 - 26 - 1007/3.0=3, 1018/3.0=3...(7) HA LYS 31 - HD3 LYS 36 OK 26 99 - 26 - 1007/3.0=3, 1018/3.0=3...(7) HA LYS 26 - HD3 LYS 36 OK 15 87 - 17 - 1007/3.0=2, 1018/3.0=2...(5) HA LYS 26 - HD2 LYS 36 OK 15 87 - 17 - 1007/3.0=2, 1018/3.0=2...(5) HB THR 115 - HD2 LYS 36 OK 13 100 - 13 - 10191/3.0=5, ~10196=3...(4) HB THR 115 - HD3 LYS 36 OK 13 100 - 13 - 10191/3.0=5, ~10196=3...(4) HA LYS 19 - HD3 LYS 36 poor 10 73 - 13 - 1007/3.0=1, 1018/3.0=1 HA LYS 19 - HD2 LYS 36 poor 10 73 - 13 - 1007/3.0=1, 1018/3.0=1 HA ALA 108 - HD3 LYS 36 lone 5 99 - 5 - HA ALA 108 - HD2 LYS 36 lone 5 99 - 5 - HA ALA 109 - HD2 LYS 36 lone 4 99 - 4 - HA ALA 109 - HD3 LYS 36 lone 4 99 - 4 - HA LEU 22 - HD2 LYS 36 lone 3 99 - 3 - 996/3.5=1 HA LEU 22 - HD3 LYS 36 lone 3 99 - 3 - 996/3.5=1 HA ALA 16 - HD2 LYS 36 lone 2 100 - 2 - HA ALA 16 - HD3 LYS 36 lone 2 100 - 2 - HA ALA 110 - HD3 LYS 36 lone 1 65 - 2 - HA ALA 110 - HD2 LYS 36 lone 1 65 - 2 - HA ALA 15 - HD3 LYS 36 lone 1 57 - 2 - HA ALA 15 - HD2 LYS 36 lone 1 57 - 2 - HA GLN 61 - HD3 LYS 36 lone 1 87 - 1 - HA GLN 61 - HD2 LYS 36 lone 1 87 - 1 - HA PHE 87 - HD3 LYS 36 lone 1 57 - 2 - HA PHE 87 - HD2 LYS 36 lone 1 57 - 2 - HA ALA 12 - HD3 LYS 36 lone 0 57 - 0 - HA ALA 12 - HD2 LYS 36 lone 0 57 - 0 - Peak 1030 from cnoeabs.peaks (1.82, 1.67, 28.90 ppm; 2.80 A): 2 out of 22 assignments used, quality = 0.99: * HB2 LYS 36 + HD2 LYS 36 OK 90 100 - 90 - 3.5=51, 989/3.0=17...(36) HB2 LYS 36 + HD3 LYS 36 OK 90 100 - 90 - 3.5=51, 989/3.0=17...(36) HB ILE 32 - HD2 LYS 36 OK 23 100 - 23 - 2.1/10837=5, ~10837=3...(11) HB ILE 32 - HD3 LYS 36 OK 23 100 - 23 - 2.1/10837=5, ~10837=3...(11) HB3 LYS 31 - HD3 LYS 36 OK 21 92 - 23 - 1019/3.0=2, 1008/3.0=2...(5) HB3 LYS 31 - HD2 LYS 36 OK 21 92 - 23 - 1019/3.0=2, 1008/3.0=2...(5) HB3 LYS 24 - HD2 LYS 36 OK 20 98 - 21 - 1008/3.0=2, 1019/3.0=2...(4) HB3 LYS 24 - HD3 LYS 36 OK 20 98 - 21 - 1008/3.0=2, 1019/3.0=2...(4) HB3 LYS 26 - HD2 LYS 36 OK 18 99 - 18 - 1008/3.0=2, 1019/3.0=2...(4) HB3 LYS 26 - HD3 LYS 36 OK 18 99 - 18 - 1008/3.0=2, 1019/3.0=2...(4) HB3 LYS 19 - HD3 LYS 36 OK 14 92 - 15 - 1019/3.0=1, 1008/3.0=1 HB3 LYS 19 - HD2 LYS 36 OK 14 92 - 15 - 1019/3.0=1, 1008/3.0=1 HB2 LEU 100 - HD2 LYS 36 poor 10 92 - 11 - 1008/3.0=2, 1019/3.0=1...(4) HB2 LEU 100 - HD3 LYS 36 poor 10 92 - 11 - 1008/3.0=2, 1019/3.0=1...(4) HB3 LEU 123 - HD3 LYS 36 poor 10 69 - 14 - ~10900=4, ~10901=3...(5) HB3 LEU 123 - HD2 LYS 36 poor 10 69 - 14 - ~10900=4, ~10901=3...(5) HB3 ARG 135 - HD3 LYS 36 lone 1 100 - 1 - HB3 ARG 135 - HD2 LYS 36 lone 1 100 - 1 - HB3 ARG 23 - HD3 LYS 36 lone 1 87 - 1 - HB3 ARG 23 - HD2 LYS 36 lone 1 87 - 1 - HB2 ARG 84 - HD2 LYS 36 lone 0 73 - 0 - HB2 ARG 84 - HD3 LYS 36 lone 0 73 - 0 - Peak 1031 from cnoeabs.peaks (1.88, 1.67, 28.90 ppm; 2.80 A): 2 out of 4 assignments used, quality = 0.99: HB3 LYS 36 + HD3 LYS 36 OK 90 100 - 90 - 3.5=51, 3.0/1044=11...(40) * HB3 LYS 36 + HD2 LYS 36 OK 90 100 - 90 - 3.5=51, 3.0/1044=11...(40) HB3 LEU 123 - HD3 LYS 36 OK 25 92 - 27 - 1009/3.0=6, 1020/3.0=6...(9) HB3 LEU 123 - HD2 LYS 36 OK 25 92 - 27 - 1009/3.0=6, 1020/3.0=6...(9) Peak 1032 from cnoeabs.peaks (1.38, 1.67, 28.90 ppm; 2.57 A): 2 out of 28 assignments used, quality = 0.99: * HG2 LYS 36 + HD2 LYS 36 OK 90 100 - 90 - 3.0=64, 1.8/1044=14...(31) HG2 LYS 36 + HD3 LYS 36 OK 90 100 - 90 - 3.0=64, 1.8/1044=14...(31) HG2 LYS 24 - HD3 LYS 36 OK 22 100 - 22 - 1021/3.0=2, 999/3.5=2...(4) HG2 LYS 24 - HD2 LYS 36 OK 22 100 - 22 - 1021/3.0=2, 999/3.5=2...(4) HG3 LYS 26 - HD3 LYS 36 OK 14 100 - 14 - 1021/3.0=2, 999/3.5=2, 988/3.5=1 HG3 LYS 26 - HD2 LYS 36 OK 14 100 - 14 - 1021/3.0=2, 999/3.5=2, 988/3.5=1 HB3 LEU 100 - HD3 LYS 36 OK 10 100 - 10 - 1021/3.0=2, 3243/3.5=2 HB3 LEU 100 - HD2 LYS 36 OK 10 100 - 10 - 1021/3.0=2, 3243/3.5=2 HB2 LEU 96 - HD2 LYS 36 lone 3 100 - 3 - HB2 LEU 96 - HD3 LYS 36 lone 3 100 - 3 - QB ALA 108 - HD3 LYS 36 lone 3 96 - 3 - QB ALA 108 - HD2 LYS 36 lone 3 96 - 3 - QB ALA 28 - HD2 LYS 36 lone 2 98 - 2 - QB ALA 28 - HD3 LYS 36 lone 2 98 - 2 - HB2 LEU 42 - HD3 LYS 36 lone 2 99 - 2 - HB2 LEU 42 - HD2 LYS 36 lone 2 99 - 2 - QB ALA 110 - HD2 LYS 36 lone 2 99 - 2 - QB ALA 110 - HD3 LYS 36 lone 2 99 - 2 - QB ALA 15 - HD3 LYS 36 lone 2 99 - 2 - QB ALA 15 - HD2 LYS 36 lone 2 99 - 2 - QB ALA 109 - HD2 LYS 36 lone 2 73 - 2 - QB ALA 109 - HD3 LYS 36 lone 2 73 - 2 - HG3 LYS 95 - HD3 LYS 36 lone 1 92 - 1 - HG3 LYS 95 - HD2 LYS 36 lone 1 92 - 1 - QB ALA 29 - HD3 LYS 36 lone 1 100 - 1 - QB ALA 29 - HD2 LYS 36 lone 1 100 - 1 - HG2 LYS 95 - HD2 LYS 36 lone 1 81 - 1 - HG2 LYS 95 - HD3 LYS 36 lone 1 81 - 1 - Peak 1033 from cnoeabs.peaks (1.47, 1.67, 28.90 ppm; 2.50 A): 2 out of 4 assignments used, quality = 0.98: HG3 LYS 36 + HD3 LYS 36 OK 87 100 - 87 - 3.0=59, 989/3.5=11...(27) * HG3 LYS 36 + HD2 LYS 36 OK 87 100 - 87 - 3.0=59, 989/3.5=11...(27) HG3 LYS 86 - HD3 LYS 36 poor 10 73 - 13 - 1000/3.5=2, 1011/3.0=2 HG3 LYS 86 - HD2 LYS 36 poor 10 73 - 13 - 1000/3.5=2, 1011/3.0=2 Peak 1034 from cnoeabs.peaks (1.67, 1.67, 28.90 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 36 + HD3 LYS 36 OK 100 100 - 100 * HD2 LYS 36 + HD2 LYS 36 OK 100 100 - 100 Peak 1035 from cnoeabs.peaks (1.67, 1.67, 28.90 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 36 + HD3 LYS 36 OK 100 100 - 100 HD2 LYS 36 + HD2 LYS 36 OK 100 100 - 100 Reference assignment not found: HD3 LYS 36 - HD2 LYS 36 Peak 1036 from cnoeabs.peaks (2.96, 1.67, 28.90 ppm; 2.50 A): 4 out of 22 assignments used, quality = 1.00: * HE2 LYS 36 + HD2 LYS 36 OK 77 100 - 77 - 3.0=58, 4.0/1044=5...(26) HE2 LYS 36 + HD3 LYS 36 OK 77 100 - 77 - 3.0=58, 4.0/1044=5...(26) HE3 LYS 36 + HD2 LYS 36 OK 74 96 - 77 - 3.0=58, 4.0/1033=5...(27) HE3 LYS 36 + HD3 LYS 36 OK 74 96 - 77 - 3.0=58, 4.0/1033=5...(27) HE2 LYS 24 - HD3 LYS 36 OK 17 99 - 17 - 1014/3.0=2, 1056=2...(4) HE2 LYS 24 - HD2 LYS 36 OK 17 99 - 17 - 1014/3.0=2, 1056=2...(4) HE3 LYS 24 - HD3 LYS 36 OK 15 96 - 16 - 1066/3.0=1, 1014/3.0=1...(4) HE3 LYS 24 - HD2 LYS 36 OK 15 96 - 16 - 1066/3.0=1, 1014/3.0=1...(4) HE2 LYS 19 - HD3 LYS 36 lone 9 100 - 9 - HE2 LYS 19 - HD2 LYS 36 lone 9 100 - 9 - HE3 LYS 19 - HD3 LYS 36 lone 8 81 - 10 - HE3 LYS 19 - HD2 LYS 36 lone 8 81 - 10 - HE3 LYS 86 - HD3 LYS 36 lone 7 99 - 7 - ~2697=1 HE3 LYS 86 - HD2 LYS 36 lone 7 99 - 7 - ~2697=1 HE2 LYS 31 - HD2 LYS 36 lone 7 81 - 8 - HE2 LYS 31 - HD3 LYS 36 lone 7 81 - 8 - HE3 LYS 31 - HD2 LYS 36 lone 5 57 - 8 - HE3 LYS 31 - HD3 LYS 36 lone 5 57 - 8 - HE2 LYS 26 - HD3 LYS 36 lone 2 57 - 4 - HE2 LYS 26 - HD2 LYS 36 lone 2 57 - 4 - HE3 LYS 26 - HD3 LYS 36 lone 2 57 - 4 - HE3 LYS 26 - HD2 LYS 36 lone 2 57 - 4 - Peak 1037 from cnoeabs.peaks (2.96, 1.67, 28.90 ppm; 2.50 A): 4 out of 22 assignments used, quality = 1.00: HE3 LYS 36 + HD3 LYS 36 OK 77 100 - 77 - 3.0=58, 4.0/1044=5...(27) * HE3 LYS 36 + HD2 LYS 36 OK 77 100 - 77 - 3.0=58, 4.0/1044=5...(27) HE2 LYS 36 + HD3 LYS 36 OK 73 96 - 77 - 3.0=58, 4.0/1044=5...(26) HE2 LYS 36 + HD2 LYS 36 OK 73 96 - 77 - 3.0=58, 4.0/1044=5...(26) HE3 LYS 24 - HD2 LYS 36 OK 16 100 - 16 - 1066/3.0=2, 1067=2...(4) HE3 LYS 24 - HD3 LYS 36 OK 16 100 - 16 - 1066/3.0=2, 1067=2...(4) HE2 LYS 24 - HD2 LYS 36 OK 14 87 - 17 - 1056=1, 1014/3.0=1...(4) HE2 LYS 24 - HD3 LYS 36 OK 14 87 - 17 - 1056=1, 1014/3.0=1...(4) HE3 LYS 19 - HD2 LYS 36 lone 10 98 - 10 - HE3 LYS 19 - HD3 LYS 36 lone 10 98 - 10 - HE2 LYS 19 - HD2 LYS 36 lone 9 98 - 9 - HE2 LYS 19 - HD3 LYS 36 lone 9 98 - 9 - HE2 LYS 31 - HD3 LYS 36 lone 8 98 - 9 - HE2 LYS 31 - HD2 LYS 36 lone 8 98 - 9 - HE3 LYS 31 - HD3 LYS 36 lone 8 87 - 9 - HE3 LYS 31 - HD2 LYS 36 lone 8 87 - 9 - HE3 LYS 86 - HD3 LYS 36 lone 7 99 - 7 - ~2697=1 HE3 LYS 86 - HD2 LYS 36 lone 7 99 - 7 - ~2697=1 HE2 LYS 26 - HD3 LYS 36 lone 4 87 - 4 - HE2 LYS 26 - HD2 LYS 36 lone 4 87 - 4 - HE3 LYS 26 - HD3 LYS 36 lone 4 87 - 4 - HE3 LYS 26 - HD2 LYS 36 lone 4 87 - 4 - Peak 1038 from cnoeabs.peaks (7.97, 1.67, 28.90 ppm; 4.42 A): 2 out of 6 assignments used, quality = 0.98: * H ILE 37 + HD2 LYS 36 OK 87 100 - 87 - 6407/3.0=29, 1005/3.5=27...(10) H ILE 37 + HD3 LYS 36 OK 87 100 - 87 - 6407/3.0=29, 1005/3.5=27...(10) H THR 18 - HD2 LYS 36 OK 24 87 - 28 - 1016/3.0=7, 1027/3.0=7...(6) H THR 18 - HD3 LYS 36 OK 24 87 - 28 - 1016/3.0=7, 1027/3.0=7...(6) H ASP 64 - HD3 LYS 36 OK 13 73 - 17 - 1016/3.0=4, 1027/3.0=4...(6) H ASP 64 - HD2 LYS 36 OK 13 73 - 17 - 1016/3.0=4, 1027/3.0=4...(6) Peak 1039 from cnoeabs.peaks (8.00, 1.67, 28.90 ppm; 4.30 A): 2 out of 6 assignments used, quality = 1.00: * H LYS 36 + HD3 LYS 36 OK 95 100 - 95 - 6.1=34, 6395/3.0=33...(24) H LYS 36 + HD2 LYS 36 OK 95 100 - 95 - 6.1=34, 6395/3.0=33...(24) H SER 94 - HD3 LYS 36 OK 37 96 - 39 - 9224/3.0=14, 1006/3.0=9...(6) H SER 94 - HD2 LYS 36 OK 37 96 - 39 - 9224/3.0=14, 1006/3.0=9...(6) H ILE 129 - HD3 LYS 36 lone 7 81 - 8 - 1006/3.0=2, 1017/3.0=2...(4) H ILE 129 - HD2 LYS 36 lone 7 81 - 8 - 1006/3.0=2, 1017/3.0=2...(4) Peak 1040 from cnoeabs.peaks (4.27, 1.67, 28.90 ppm; 3.10 A): 2 out of 28 assignments used, quality = 0.98: HA LYS 36 + HD2 LYS 36 OK 85 100 - 85 - 5.3=20, 978/3.0=20...(28) * HA LYS 36 + HD3 LYS 36 OK 85 100 - 85 - 5.3=20, 978/3.0=20...(28) HA LYS 31 - HD2 LYS 36 OK 26 99 - 26 - 1007/3.0=3, 1018/3.0=3...(7) HA LYS 31 - HD3 LYS 36 OK 26 99 - 26 - 1007/3.0=3, 1018/3.0=3...(7) HA LYS 26 - HD3 LYS 36 OK 15 87 - 17 - 1007/3.0=2, 1018/3.0=2...(5) HA LYS 26 - HD2 LYS 36 OK 15 87 - 17 - 1007/3.0=2, 1018/3.0=2...(5) HB THR 115 - HD2 LYS 36 OK 13 100 - 13 - 10191/3.0=5, ~10196=3...(4) HB THR 115 - HD3 LYS 36 OK 13 100 - 13 - 10191/3.0=5, ~10196=3...(4) HA LYS 19 - HD3 LYS 36 poor 10 73 - 13 - 1007/3.0=1, 1018/3.0=1 HA LYS 19 - HD2 LYS 36 poor 10 73 - 13 - 1007/3.0=1, 1018/3.0=1 HA ALA 108 - HD3 LYS 36 lone 5 99 - 5 - HA ALA 108 - HD2 LYS 36 lone 5 99 - 5 - HA ALA 109 - HD2 LYS 36 lone 4 99 - 4 - HA ALA 109 - HD3 LYS 36 lone 4 99 - 4 - HA LEU 22 - HD2 LYS 36 lone 3 99 - 3 - 996/3.5=1 HA LEU 22 - HD3 LYS 36 lone 3 99 - 3 - 996/3.5=1 HA ALA 16 - HD2 LYS 36 lone 2 100 - 2 - HA ALA 16 - HD3 LYS 36 lone 2 100 - 2 - HA ALA 110 - HD3 LYS 36 lone 1 65 - 2 - HA ALA 110 - HD2 LYS 36 lone 1 65 - 2 - HA ALA 15 - HD3 LYS 36 lone 1 57 - 2 - HA ALA 15 - HD2 LYS 36 lone 1 57 - 2 - HA GLN 61 - HD3 LYS 36 lone 1 87 - 1 - HA GLN 61 - HD2 LYS 36 lone 1 87 - 1 - HA PHE 87 - HD3 LYS 36 lone 1 57 - 2 - HA PHE 87 - HD2 LYS 36 lone 1 57 - 2 - HA ALA 12 - HD3 LYS 36 lone 0 57 - 0 - HA ALA 12 - HD2 LYS 36 lone 0 57 - 0 - Peak 1041 from cnoeabs.peaks (1.82, 1.67, 28.90 ppm; 2.80 A): 2 out of 22 assignments used, quality = 0.99: HB2 LYS 36 + HD2 LYS 36 OK 90 100 - 90 - 3.5=51, 989/3.0=17...(36) * HB2 LYS 36 + HD3 LYS 36 OK 90 100 - 90 - 3.5=51, 989/3.0=17...(36) HB ILE 32 - HD2 LYS 36 OK 23 100 - 23 - 2.1/10837=5, ~10837=3...(11) HB ILE 32 - HD3 LYS 36 OK 23 100 - 23 - 2.1/10837=5, ~10837=3...(11) HB3 LYS 31 - HD3 LYS 36 OK 21 92 - 23 - 1019/3.0=2, 1008/3.0=2...(5) HB3 LYS 31 - HD2 LYS 36 OK 21 92 - 23 - 1019/3.0=2, 1008/3.0=2...(5) HB3 LYS 24 - HD2 LYS 36 OK 20 98 - 21 - 1008/3.0=2, 1019/3.0=2...(4) HB3 LYS 24 - HD3 LYS 36 OK 20 98 - 21 - 1008/3.0=2, 1019/3.0=2...(4) HB3 LYS 26 - HD2 LYS 36 OK 18 99 - 18 - 1008/3.0=2, 1019/3.0=2...(4) HB3 LYS 26 - HD3 LYS 36 OK 18 99 - 18 - 1008/3.0=2, 1019/3.0=2...(4) HB3 LYS 19 - HD3 LYS 36 OK 14 92 - 15 - 1019/3.0=1, 1008/3.0=1 HB3 LYS 19 - HD2 LYS 36 OK 14 92 - 15 - 1019/3.0=1, 1008/3.0=1 HB2 LEU 100 - HD2 LYS 36 poor 10 92 - 11 - 1008/3.0=2, 1019/3.0=1...(4) HB2 LEU 100 - HD3 LYS 36 poor 10 92 - 11 - 1008/3.0=2, 1019/3.0=1...(4) HB3 LEU 123 - HD3 LYS 36 poor 10 69 - 14 - ~10900=4, ~10901=3...(5) HB3 LEU 123 - HD2 LYS 36 poor 10 69 - 14 - ~10900=4, ~10901=3...(5) HB3 ARG 135 - HD3 LYS 36 lone 1 100 - 1 - HB3 ARG 135 - HD2 LYS 36 lone 1 100 - 1 - HB3 ARG 23 - HD3 LYS 36 lone 1 87 - 1 - HB3 ARG 23 - HD2 LYS 36 lone 1 87 - 1 - HB2 ARG 84 - HD2 LYS 36 lone 0 73 - 0 - HB2 ARG 84 - HD3 LYS 36 lone 0 73 - 0 - Peak 1042 from cnoeabs.peaks (1.88, 1.67, 28.90 ppm; 2.80 A): 2 out of 4 assignments used, quality = 0.99: * HB3 LYS 36 + HD3 LYS 36 OK 90 100 - 90 - 3.5=51, 3.0/1044=11...(40) HB3 LYS 36 + HD2 LYS 36 OK 90 100 - 90 - 3.5=51, 3.0/1044=11...(40) HB3 LEU 123 - HD3 LYS 36 OK 25 92 - 27 - 1009/3.0=6, 1020/3.0=6...(9) HB3 LEU 123 - HD2 LYS 36 OK 25 92 - 27 - 1009/3.0=6, 1020/3.0=6...(9) Peak 1043 from cnoeabs.peaks (1.38, 1.67, 28.90 ppm; 2.57 A): 2 out of 28 assignments used, quality = 0.99: HG2 LYS 36 + HD2 LYS 36 OK 90 100 - 90 - 3.0=64, 1.8/1044=14...(31) * HG2 LYS 36 + HD3 LYS 36 OK 90 100 - 90 - 3.0=64, 1.8/1044=14...(31) HG2 LYS 24 - HD3 LYS 36 OK 22 100 - 22 - 1021/3.0=2, 999/3.5=2...(4) HG2 LYS 24 - HD2 LYS 36 OK 22 100 - 22 - 1021/3.0=2, 999/3.5=2...(4) HG3 LYS 26 - HD3 LYS 36 OK 14 100 - 14 - 1021/3.0=2, 999/3.5=2, 988/3.5=1 HG3 LYS 26 - HD2 LYS 36 OK 14 100 - 14 - 1021/3.0=2, 999/3.5=2, 988/3.5=1 HB3 LEU 100 - HD3 LYS 36 OK 10 100 - 10 - 1021/3.0=2, 3243/3.5=2 HB3 LEU 100 - HD2 LYS 36 OK 10 100 - 10 - 1021/3.0=2, 3243/3.5=2 HB2 LEU 96 - HD2 LYS 36 lone 3 100 - 3 - HB2 LEU 96 - HD3 LYS 36 lone 3 100 - 3 - QB ALA 108 - HD3 LYS 36 lone 3 96 - 3 - QB ALA 108 - HD2 LYS 36 lone 3 96 - 3 - QB ALA 28 - HD2 LYS 36 lone 2 98 - 2 - QB ALA 28 - HD3 LYS 36 lone 2 98 - 2 - HB2 LEU 42 - HD3 LYS 36 lone 2 99 - 2 - HB2 LEU 42 - HD2 LYS 36 lone 2 99 - 2 - QB ALA 110 - HD2 LYS 36 lone 2 99 - 2 - QB ALA 110 - HD3 LYS 36 lone 2 99 - 2 - QB ALA 15 - HD3 LYS 36 lone 2 99 - 2 - QB ALA 15 - HD2 LYS 36 lone 2 99 - 2 - QB ALA 109 - HD2 LYS 36 lone 2 73 - 2 - QB ALA 109 - HD3 LYS 36 lone 2 73 - 2 - HG3 LYS 95 - HD3 LYS 36 lone 1 92 - 1 - HG3 LYS 95 - HD2 LYS 36 lone 1 92 - 1 - QB ALA 29 - HD3 LYS 36 lone 1 100 - 1 - QB ALA 29 - HD2 LYS 36 lone 1 100 - 1 - HG2 LYS 95 - HD2 LYS 36 lone 1 81 - 1 - HG2 LYS 95 - HD3 LYS 36 lone 1 81 - 1 - Peak 1044 from cnoeabs.peaks (1.47, 1.67, 28.90 ppm; 2.50 A): 2 out of 4 assignments used, quality = 0.98: * HG3 LYS 36 + HD3 LYS 36 OK 87 100 - 87 - 3.0=59, 989/3.5=11...(27) HG3 LYS 36 + HD2 LYS 36 OK 87 100 - 87 - 3.0=59, 989/3.5=11...(27) HG3 LYS 86 - HD3 LYS 36 poor 10 73 - 13 - 1000/3.5=2, 1011/3.0=2 HG3 LYS 86 - HD2 LYS 36 poor 10 73 - 13 - 1000/3.5=2, 1011/3.0=2 Peak 1045 from cnoeabs.peaks (1.67, 1.67, 28.90 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 36 + HD3 LYS 36 OK 100 100 - 100 HD2 LYS 36 + HD2 LYS 36 OK 100 100 - 100 Reference assignment not found: HD2 LYS 36 - HD3 LYS 36 Peak 1046 from cnoeabs.peaks (1.67, 1.67, 28.90 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 36 + HD3 LYS 36 OK 100 100 - 100 HD2 LYS 36 + HD2 LYS 36 OK 100 100 - 100 Peak 1047 from cnoeabs.peaks (2.96, 1.67, 28.90 ppm; 2.50 A): 4 out of 22 assignments used, quality = 1.00: HE2 LYS 36 + HD2 LYS 36 OK 77 100 - 77 - 3.0=58, 4.0/1044=5...(26) * HE2 LYS 36 + HD3 LYS 36 OK 77 100 - 77 - 3.0=58, 4.0/1044=5...(26) HE3 LYS 36 + HD2 LYS 36 OK 74 96 - 77 - 3.0=58, 4.0/1033=5...(27) HE3 LYS 36 + HD3 LYS 36 OK 74 96 - 77 - 3.0=58, 4.0/1033=5...(27) HE2 LYS 24 - HD3 LYS 36 OK 17 99 - 17 - 1014/3.0=2, 1056=2...(4) HE2 LYS 24 - HD2 LYS 36 OK 17 99 - 17 - 1014/3.0=2, 1056=2...(4) HE3 LYS 24 - HD3 LYS 36 OK 15 96 - 16 - 1066/3.0=1, 1014/3.0=1...(4) HE3 LYS 24 - HD2 LYS 36 OK 15 96 - 16 - 1066/3.0=1, 1014/3.0=1...(4) HE2 LYS 19 - HD3 LYS 36 lone 9 100 - 9 - HE2 LYS 19 - HD2 LYS 36 lone 9 100 - 9 - HE3 LYS 19 - HD3 LYS 36 lone 8 81 - 10 - HE3 LYS 19 - HD2 LYS 36 lone 8 81 - 10 - HE3 LYS 86 - HD3 LYS 36 lone 7 99 - 7 - ~2697=1 HE3 LYS 86 - HD2 LYS 36 lone 7 99 - 7 - ~2697=1 HE2 LYS 31 - HD2 LYS 36 lone 7 81 - 8 - HE2 LYS 31 - HD3 LYS 36 lone 7 81 - 8 - HE3 LYS 31 - HD2 LYS 36 lone 5 57 - 8 - HE3 LYS 31 - HD3 LYS 36 lone 5 57 - 8 - HE2 LYS 26 - HD3 LYS 36 lone 2 57 - 4 - HE2 LYS 26 - HD2 LYS 36 lone 2 57 - 4 - HE3 LYS 26 - HD3 LYS 36 lone 2 57 - 4 - HE3 LYS 26 - HD2 LYS 36 lone 2 57 - 4 - Peak 1048 from cnoeabs.peaks (2.96, 1.67, 28.90 ppm; 2.50 A): 4 out of 22 assignments used, quality = 1.00: * HE3 LYS 36 + HD3 LYS 36 OK 77 100 - 77 - 3.0=58, 4.0/1044=5...(27) HE3 LYS 36 + HD2 LYS 36 OK 77 100 - 77 - 3.0=58, 4.0/1044=5...(27) HE2 LYS 36 + HD3 LYS 36 OK 73 96 - 77 - 3.0=58, 4.0/1044=5...(26) HE2 LYS 36 + HD2 LYS 36 OK 73 96 - 77 - 3.0=58, 4.0/1044=5...(26) HE3 LYS 24 - HD2 LYS 36 OK 16 100 - 16 - 1066/3.0=2, 1067=2...(4) HE3 LYS 24 - HD3 LYS 36 OK 16 100 - 16 - 1066/3.0=2, 1067=2...(4) HE2 LYS 24 - HD2 LYS 36 OK 14 87 - 17 - 1056=1, 1014/3.0=1...(4) HE2 LYS 24 - HD3 LYS 36 OK 14 87 - 17 - 1056=1, 1014/3.0=1...(4) HE3 LYS 19 - HD2 LYS 36 lone 10 98 - 10 - HE3 LYS 19 - HD3 LYS 36 lone 10 98 - 10 - HE2 LYS 19 - HD2 LYS 36 lone 9 98 - 9 - HE2 LYS 19 - HD3 LYS 36 lone 9 98 - 9 - HE2 LYS 31 - HD3 LYS 36 lone 8 98 - 9 - HE2 LYS 31 - HD2 LYS 36 lone 8 98 - 9 - HE3 LYS 31 - HD3 LYS 36 lone 8 87 - 9 - HE3 LYS 31 - HD2 LYS 36 lone 8 87 - 9 - HE3 LYS 86 - HD3 LYS 36 lone 7 99 - 7 - ~2697=1 HE3 LYS 86 - HD2 LYS 36 lone 7 99 - 7 - ~2697=1 HE2 LYS 26 - HD3 LYS 36 lone 4 87 - 4 - HE2 LYS 26 - HD2 LYS 36 lone 4 87 - 4 - HE3 LYS 26 - HD3 LYS 36 lone 4 87 - 4 - HE3 LYS 26 - HD2 LYS 36 lone 4 87 - 4 - Peak 1049 from cnoeabs.peaks (7.97, 1.67, 28.90 ppm; 4.42 A): 2 out of 6 assignments used, quality = 0.98: H ILE 37 + HD2 LYS 36 OK 87 100 - 87 - 6407/3.0=29, 1005/3.5=27...(10) * H ILE 37 + HD3 LYS 36 OK 87 100 - 87 - 6407/3.0=29, 1005/3.5=27...(10) H THR 18 - HD2 LYS 36 OK 24 87 - 28 - 1016/3.0=7, 1027/3.0=7...(6) H THR 18 - HD3 LYS 36 OK 24 87 - 28 - 1016/3.0=7, 1027/3.0=7...(6) H ASP 64 - HD3 LYS 36 OK 13 73 - 17 - 1016/3.0=4, 1027/3.0=4...(6) H ASP 64 - HD2 LYS 36 OK 13 73 - 17 - 1016/3.0=4, 1027/3.0=4...(6) Peak 1051 from cnoeabs.peaks (4.27, 2.96, 41.80 ppm; 4.14 A): 4 out of 84 assignments used, quality = 0.99: * HA LYS 36 + HE2 LYS 36 OK 89 100 - 89 - 6.0=34, 978/4.0=26...(27) HA LYS 36 + HE3 LYS 36 OK 65 73 - 89 - 6.0=34, 978/4.0=26...(26) HA LYS 19 + HE2 LYS 19 OK 58 71 - 81 - 6.4=27, 4.2/318=13...(43) HA LYS 31 + HE2 LYS 24 OK 52 94 - 55 - 792/4.0=6, 795/3.0=5...(22) HA LYS 31 - HE2 LYS 19 OK 44 98 - 44 - 792/3.8=5, 790/5.1=3...(20) HA LYS 36 - HE2 LYS 24 OK 41 96 - 43 - 977/4.0=5, 3.0/1053=5...(18) HA LYS 26 - HE2 LYS 24 OK 37 79 - 47 - 598/4.0=4, 3.0/558=3...(21) HA LYS 31 - HE2 LYS 36 OK 36 99 - 37 - 1007/4.0=4, 1018/4.0=4...(10) HA LYS 26 - HE2 LYS 19 OK 36 85 - 42 - 241/3.8=5, 304/2.9=3...(19) HA LYS 31 - HE3 LYS 24 OK 36 71 - 50 - 792/4.0=6, 795/3.0=5...(20) HA LYS 19 - HE2 LYS 24 OK 29 66 - 45 - 4.2/318=5, 3.0/558=3...(15) HA LYS 36 - HE3 LYS 24 OK 29 73 - 40 - 977/4.0=5, 3.0/1053=3...(18) HA LYS 31 - HE3 LYS 36 OK 25 71 - 35 - 1007/4.0=4, 1018/4.0=4...(8) HA LYS 26 - HE3 LYS 24 OK 24 57 - 42 - 598/4.0=4, 599/3.0=3...(20) HA LYS 26 - HE2 LYS 36 OK 22 87 - 25 - 1007/4.0=3, 1018/4.0=3...(8) HA LYS 36 - HE2 LYS 19 OK 20 99 - 20 - 3.0/1053=2, 4.1/1025=2...(8) HA LYS 19 - HE2 LYS 36 OK 20 73 - 26 - 4.2/318=3, 1007/4.0=2...(9) HA LYS 19 - HE3 LYS 24 OK 19 46 - 41 - 4.2/318=5, 598/4.0=3...(17) HB THR 115 - HE2 LYS 36 OK 16 100 - 16 - 10191/4.0=7, 1018/4.0=3...(6) HA LYS 26 - HE3 LYS 36 OK 13 57 - 24 - 1007/4.0=3, 1018/4.0=3...(6) HA LYS 19 - HE3 LYS 36 OK 12 46 - 25 - 4.2/318=2, 1007/4.0=2...(8) HB THR 115 - HE3 LYS 36 OK 11 73 - 16 - 10191/4.0=7, 1018/4.0=3...(6) HB THR 115 - HE2 LYS 24 lone 9 95 - 9 - 10191/4.0=4, 11521/7.4=2 HA LYS 36 - HE3 LYS 86 lone 9 96 - 9 - 978/3.7=3, 3.0/1053=1 HA ALA 108 - HE2 LYS 36 lone 7 99 - 7 - 1007/4.0=1, 1018/4.0=1 HB THR 115 - HE3 LYS 24 lone 6 73 - 9 - 10191/4.0=4, 11521/7.4=2 HA LEU 22 - HE2 LYS 36 lone 5 99 - 5 - 996/4.9=1 HA PHE 87 - HE3 LYS 86 poor 5 51 - 10 - ~7161=4, ~7160=4, 2724/4.9=3 HA ALA 109 - HE2 LYS 36 lone 5 99 - 5 - HA LYS 31 - HE3 LYS 86 lone 5 94 - 5 - HA ALA 108 - HE3 LYS 36 lone 5 71 - 7 - 1007/4.0=1, 1018/4.0=1 HA LEU 22 - HE3 LYS 36 lone 4 71 - 5 - 996/4.9=1 HA LYS 19 - HE3 LYS 86 lone 4 66 - 5 - HA ALA 109 - HE3 LYS 36 lone 4 71 - 5 - HA PHE 87 - HE2 LYS 19 lone 4 56 - 7 - ~9834=2, 9841/2.9=1, 9841/2.9=1 HA ALA 16 - HE2 LYS 36 lone 3 100 - 3 - HA LYS 26 - HE3 LYS 86 lone 3 79 - 3 - HA ALA 12 - HE2 LYS 19 lone 2 56 - 4 - 2.1/318=1 HA LEU 22 - HE2 LYS 24 lone 2 94 - 2 - HB THR 115 - HE2 LYS 19 lone 2 99 - 2 - HA ALA 16 - HE3 LYS 36 lone 2 73 - 3 - HA ALA 110 - HE2 LYS 36 lone 2 65 - 3 - HA GLN 61 - HE2 LYS 36 lone 2 87 - 2 - HA ALA 108 - HE2 LYS 24 lone 2 94 - 2 - HA LEU 22 - HE3 LYS 24 lone 2 71 - 2 - HA ALA 15 - HE2 LYS 36 lone 2 57 - 3 - HA PHE 87 - HE2 LYS 24 lone 2 51 - 3 - HA ALA 108 - HE2 LYS 19 lone 1 98 - 1 - HA ALA 109 - HE2 LYS 24 lone 1 94 - 1 - HA PHE 87 - HE2 LYS 36 lone 1 57 - 2 - HA LEU 22 - HE2 LYS 19 lone 1 98 - 1 - HA ALA 108 - HE3 LYS 24 lone 1 71 - 2 - HA ALA 109 - HE2 LYS 19 lone 1 98 - 1 - HA GLN 61 - HE3 LYS 36 lone 1 57 - 2 - HA ALA 110 - HE3 LYS 36 lone 1 41 - 3 - HA PHE 87 - HE3 LYS 24 lone 1 35 - 3 - HA GLN 61 - HE2 LYS 19 lone 1 85 - 1 - HA ALA 15 - HE2 LYS 24 lone 1 51 - 2 - HA GLN 61 - HE2 LYS 24 lone 1 79 - 1 - HA ALA 109 - HE3 LYS 24 lone 1 71 - 1 - HA ALA 16 - HE2 LYS 19 lone 1 99 - 1 - HA ALA 16 - HE2 LYS 24 lone 1 95 - 1 - HB THR 115 - HE3 LYS 86 lone 1 95 - 1 - HA ALA 15 - HE3 LYS 36 lone 1 35 - 3 - HA ALA 108 - HE3 LYS 86 lone 1 94 - 1 - HA GLN 61 - HE3 LYS 86 lone 1 79 - 1 - HA PHE 87 - HE3 LYS 36 lone 1 35 - 2 - HA LEU 22 - HE3 LYS 86 lone 1 94 - 1 - HA ALA 109 - HE3 LYS 86 lone 1 94 - 1 - HA ALA 110 - HE2 LYS 24 lone 1 58 - 1 - HA GLN 61 - HE3 LYS 24 lone 1 57 - 1 - HA ALA 16 - HE3 LYS 24 lone 1 73 - 1 - HA ALA 16 - HE3 LYS 86 lone 1 95 - 1 - HA ALA 15 - HE2 LYS 19 lone 1 56 - 1 - HA ALA 15 - HE3 LYS 24 lone 1 35 - 2 - HA ALA 12 - HE2 LYS 36 lone 1 57 - 1 - HA ALA 110 - HE2 LYS 19 lone 1 64 - 1 - HA ALA 12 - HE2 LYS 24 lone 1 51 - 1 - HA ALA 110 - HE3 LYS 24 lone 0 41 - 1 - HA ALA 110 - HE3 LYS 86 lone 0 58 - 1 - HA ALA 15 - HE3 LYS 86 lone 0 51 - 1 - HA ALA 12 - HE3 LYS 24 lone 0 35 - 1 - HA ALA 12 - HE3 LYS 86 lone 0 51 - 1 - HA ALA 12 - HE3 LYS 36 lone 0 35 - 1 - Peak 1052 from cnoeabs.peaks (1.82, 2.96, 41.80 ppm; 3.38 A): 6 out of 66 assignments used, quality = 1.00: * HB2 LYS 36 + HE2 LYS 36 OK 87 100 - 87 - 4.9=32, 989/4.0=17...(36) HB3 LYS 19 + HE2 LYS 19 OK 74 90 - 82 - 5.1=30, 3.0/318=12...(50) HB3 LYS 24 + HE2 LYS 24 OK 69 92 - 75 - 5.1=30, 2.9/520=6...(42) HB2 LYS 36 + HE3 LYS 36 OK 64 73 - 87 - 4.9=32, 989/4.0=17...(38) HB3 LYS 24 + HE3 LYS 24 OK 49 69 - 71 - 5.1=30, 2.9/520=5...(35) HB3 LYS 24 + HE2 LYS 19 OK 46 97 - 48 - 263/3.8=5, 2.9/520=3...(19) HB3 LYS 26 - HE2 LYS 24 OK 42 94 - 45 - 620/4.0=3, 1.8/558=3...(15) HB3 LYS 26 - HE2 LYS 19 OK 42 98 - 43 - 273/3.8=3, 1.8/558=2...(20) HB2 LYS 36 - HE2 LYS 24 OK 41 96 - 44 - 1.8/1053=4, 3.0/1014=3...(21) HB3 LYS 31 - HE2 LYS 24 OK 40 84 - 48 - 1.8/558=3, 3.0/561=3...(26) HB3 LYS 31 - HE2 LYS 19 OK 39 90 - 43 - 263/3.8=5, 1.8/558=2...(18) HB3 LYS 19 - HE2 LYS 24 OK 38 84 - 46 - 3.0/318=5, 1.8/558=3...(17) HB2 LYS 36 - HE3 LYS 24 OK 29 73 - 40 - 1.8/1053=3, ~1053=3...(18) HB3 LYS 24 - HE2 LYS 36 OK 29 98 - 29 - 1008/4.0=2, 2.9/520=2...(9) HB3 LYS 26 - HE3 LYS 24 OK 28 71 - 39 - 620/4.0=3, 621/3.0=2...(14) HB3 LYS 31 - HE2 LYS 36 OK 26 92 - 29 - 1019/4.0=2, 1008/4.0=2...(8) HB3 LYS 19 - HE3 LYS 24 OK 25 62 - 41 - 3.0/318=5, ~318=3...(20) HB3 LYS 31 - HE3 LYS 24 OK 25 62 - 41 - ~558=2, 515/4.0=2...(19) HB3 LYS 19 - HE2 LYS 36 OK 24 92 - 26 - 3.0/318=3, 1.8/558=1...(8) HB3 LYS 26 - HE2 LYS 36 OK 23 99 - 23 - 1008/4.0=2, 1019/4.0=2...(7) HB ILE 32 - HE2 LYS 36 OK 23 100 - 23 - ~10837=3, 10825=2...(9) HB2 LYS 36 - HE2 LYS 19 OK 21 99 - 21 - 1.8/1053=2, 3.0/1025=2...(6) HB ILE 32 - HE2 LYS 19 OK 21 99 - 21 - 900/3.8=3, ~10757=2...(10) HB3 LYS 24 - HE3 LYS 36 OK 20 69 - 29 - 1008/4.0=2, 1019/4.0=2...(13) HB3 LYS 31 - HE3 LYS 36 OK 16 62 - 26 - 1019/4.0=2, 1008/4.0=2...(7) HB ILE 32 - HE3 LYS 36 OK 16 73 - 22 - ~10837=3, 10825/1.8=2...(10) HB3 LYS 26 - HE3 LYS 36 OK 15 71 - 21 - 1008/4.0=2, 1019/4.0=2...(5) HB3 LYS 19 - HE3 LYS 36 OK 15 62 - 24 - 3.0/318=2, ~318=2...(7) HB ILE 32 - HE2 LYS 24 OK 11 95 - 12 - 900/4.0=2, 10825=1 HB2 LYS 36 - HE3 LYS 86 OK 10 96 - 11 - 989/3.7=2, ~2697=2, 1.8/1053=1 HB2 LEU 100 - HE2 LYS 36 lone 9 92 - 10 - 1008/4.0=2, 1019/4.0=1 HB ILE 32 - HE3 LYS 24 poor 8 73 - 10 - 900/4.0=2, 10825/1.8=1 HB3 LEU 123 - HE2 LYS 36 poor 7 69 - 11 - ~10705=2, 1008/4.0=2, 1019/4.0=2 HB2 LEU 100 - HE3 LYS 36 lone 6 62 - 10 - 1008/4.0=2, 1019/4.0=1 HB3 LEU 123 - HE2 LYS 19 lone 5 68 - 8 - ~10705=2 HB2 LEU 100 - HE2 LYS 24 lone 5 84 - 6 - 11385/10577=1 HB3 LYS 31 - HE3 LYS 86 lone 5 84 - 5 - HB3 ARG 23 - HE2 LYS 24 lone 4 79 - 5 - 6214/7.4=2 HB3 LEU 123 - HE3 LYS 36 lone 4 43 - 8 - 1008/4.0=2, 1019/4.0=2 HB3 LYS 24 - HE3 LYS 86 lone 3 92 - 4 - HB2 LEU 100 - HE3 LYS 24 lone 3 62 - 5 - 11385/10577=1 HB3 ARG 23 - HE3 LYS 24 lone 3 57 - 5 - 6214/7.4=2 HB3 LYS 19 - HE3 LYS 86 lone 3 84 - 3 - HB3 LYS 26 - HE3 LYS 86 lone 2 94 - 2 - HB3 ARG 23 - HE2 LYS 19 lone 2 85 - 2 - HB3 ARG 135 - HE2 LYS 36 lone 2 100 - 2 - HB3 LEU 123 - HE2 LYS 24 lone 1 62 - 2 - HB3 ARG 23 - HE2 LYS 36 lone 1 87 - 1 - HB3 ARG 135 - HE3 LYS 36 lone 1 73 - 2 - HB2 LEU 100 - HE2 LYS 19 lone 1 90 - 1 - HB ILE 32 - HE3 LYS 86 lone 1 95 - 1 - HB3 ARG 23 - HE3 LYS 36 lone 1 57 - 1 - HB3 ARG 135 - HE2 LYS 24 lone 1 95 - 1 - HB3 LEU 123 - HE3 LYS 24 lone 1 43 - 2 - HB3 LEU 123 - HE3 LYS 86 lone 1 62 - 1 - HB3 ARG 135 - HE2 LYS 19 lone 1 99 - 1 - HB2 LEU 100 - HE3 LYS 86 lone 1 84 - 1 - HB3 ARG 135 - HE3 LYS 24 lone 1 73 - 1 - HB2 ARG 84 - HE2 LYS 19 lone 0 71 - 1 - HB2 ARG 84 - HE2 LYS 36 lone 0 73 - 1 - HB3 ARG 135 - HE3 LYS 86 lone 0 95 - 0 - HB2 ARG 84 - HE2 LYS 24 lone 0 66 - 1 - HB3 ARG 23 - HE3 LYS 86 lone 0 79 - 0 - HB2 ARG 84 - HE3 LYS 36 lone 0 46 - 1 - HB2 ARG 84 - HE3 LYS 86 lone 0 66 - 0 - HB2 ARG 84 - HE3 LYS 24 lone 0 46 - 1 - Peak 1053 from cnoeabs.peaks (1.88, 2.96, 41.80 ppm; 3.79 A): 3 out of 12 assignments used, quality = 0.99: * HB3 LYS 36 + HE2 LYS 36 OK 93 100 - 93 - 4.9=45, 1042/3.0=15...(46) HB3 LYS 36 + HE3 LYS 36 OK 68 73 - 93 - 4.9=45, 1042/3.0=15...(45) HB3 LYS 36 + HE2 LYS 24 OK 49 96 - 51 - 999/4.0=4, 3.0/1014=4...(30) HB3 LYS 36 - HE3 LYS 24 OK 35 73 - 48 - 999/4.0=4, 3.0/1025=3...(29) HB3 LEU 123 - HE2 LYS 36 OK 30 92 - 32 - 1009/4.0=8, 1020/4.0=8...(9) HB3 LYS 36 - HE2 LYS 19 OK 26 99 - 26 - 3.0/1025=2, 3.0/1014=2...(8) HB3 LEU 123 - HE3 LYS 36 OK 19 63 - 30 - 1009/4.0=8, 1020/4.0=8...(7) HB3 LYS 36 - HE3 LYS 86 OK 13 96 - 14 - 1000/3.7=4, ~2697=3...(4) HB3 LEU 123 - HE2 LYS 19 OK 11 91 - 12 - ~10705=3, 3930/2.9=1, 3930/2.9=1 HB3 LEU 123 - HE2 LYS 24 lone 3 85 - 3 - HB3 LEU 123 - HE3 LYS 86 lone 2 85 - 2 - HB3 LEU 123 - HE3 LYS 24 lone 1 63 - 2 - Peak 1054 from cnoeabs.peaks (1.38, 2.96, 41.80 ppm; 3.00 A): 4 out of 84 assignments used, quality = 0.99: * HG2 LYS 36 + HE2 LYS 36 OK 84 100 - 84 - 4.0=42, 1013/3.0=10...(36) HG2 LYS 24 + HE2 LYS 24 OK 74 95 - 77 - 4.0=43, 1.8/561=6...(23) HG2 LYS 36 + HE3 LYS 36 OK 61 73 - 84 - 4.0=42, 1013/3.0=10...(37) HG2 LYS 24 + HE3 LYS 24 OK 54 73 - 74 - 4.0=43, 520/1.8=6...(27) HG2 LYS 24 - HE2 LYS 19 OK 42 99 - 43 - 520=5, 517/3.8=3...(12) HG2 LYS 36 - HE2 LYS 24 OK 36 96 - 38 - 1014=4, 1.8/1025=3...(17) HG3 LYS 26 - HE2 LYS 24 OK 34 95 - 36 - 527/4.0=3, 520=2...(15) HG3 LYS 26 - HE2 LYS 19 OK 30 99 - 30 - 527/3.8=2, 520=2...(9) HG2 LYS 24 - HE2 LYS 36 OK 29 100 - 29 - 520=3, 1021/4.0=2...(8) HG2 LYS 36 - HE3 LYS 24 OK 25 73 - 34 - 1014=4, 1014/1.8=3...(13) HG3 LYS 26 - HE3 LYS 24 OK 22 73 - 31 - 527/4.0=3, 520/1.8=2...(11) HG2 LYS 24 - HE3 LYS 36 OK 20 73 - 28 - 520=3, 520/1.8=2...(9) HG2 LYS 36 - HE2 LYS 19 OK 18 99 - 18 - 1014=2, 1015/1.8=2...(5) HG3 LYS 26 - HE2 LYS 36 OK 17 100 - 17 - 1021/4.0=2, 999/4.9=1...(5) HG3 LYS 26 - HE3 LYS 36 OK 12 73 - 16 - 1021/4.0=2, 999/4.9=1...(4) HG2 LYS 36 - HE3 LYS 86 lone 10 96 - 10 - ~2697=2, 1011/3.7=2...(4) HB3 LEU 100 - HE2 LYS 36 lone 7 100 - 8 - 1021/4.0=1, 3243/4.9=1 HB3 LEU 100 - HE3 LYS 36 lone 5 73 - 8 - 1021/4.0=1, 3243/4.9=1 HG2 LYS 24 - HE3 LYS 86 lone 4 95 - 4 - QB ALA 29 - HE3 LYS 86 lone 3 96 - 4 - 10790/4.9=2, 10791/4.9=1 HB3 LEU 100 - HE2 LYS 24 lone 3 95 - 3 - HB2 LEU 96 - HE2 LYS 36 lone 3 100 - 3 - QB ALA 108 - HE2 LYS 36 lone 3 96 - 3 - HG3 LYS 95 - HE2 LYS 24 lone 3 84 - 3 - HG3 LYS 26 - HE3 LYS 86 lone 2 95 - 2 - HB3 LEU 100 - HE3 LYS 24 lone 2 73 - 3 - HG2 LYS 95 - HE2 LYS 24 lone 2 73 - 3 - HB2 LEU 96 - HE3 LYS 36 lone 2 73 - 3 - HB2 LEU 42 - HE2 LYS 36 lone 2 99 - 2 - QB ALA 108 - HE3 LYS 36 lone 2 66 - 3 - HG3 LYS 95 - HE3 LYS 24 lone 2 62 - 3 - QB ALA 28 - HE2 LYS 36 lone 2 98 - 2 - HB2 LEU 96 - HE2 LYS 24 lone 2 96 - 2 - QB ALA 15 - HE2 LYS 36 lone 2 99 - 2 - QB ALA 110 - HE2 LYS 36 lone 2 99 - 2 - HG2 LYS 95 - HE3 LYS 24 lone 1 52 - 3 - QB ALA 29 - HE2 LYS 36 lone 1 100 - 1 - QB ALA 109 - HE2 LYS 36 lone 1 73 - 2 - HG3 LYS 95 - HE2 LYS 36 lone 1 92 - 1 - HB2 LEU 42 - HE3 LYS 36 lone 1 71 - 2 - HB2 LEU 42 - HE2 LYS 24 lone 1 94 - 1 - QB ALA 28 - HE3 LYS 36 lone 1 69 - 2 - HB2 LEU 96 - HE3 LYS 24 lone 1 73 - 2 - QB ALA 15 - HE2 LYS 24 lone 1 94 - 1 - QB ALA 15 - HE3 LYS 36 lone 1 71 - 2 - QB ALA 29 - HE2 LYS 24 lone 1 96 - 1 - QB ALA 28 - HE2 LYS 24 lone 1 92 - 1 - QB ALA 110 - HE3 LYS 36 lone 1 71 - 1 - HB2 LEU 42 - HE2 LYS 19 lone 1 98 - 1 - HG2 LYS 95 - HE2 LYS 36 lone 1 81 - 1 - QB ALA 29 - HE3 LYS 36 lone 1 73 - 1 - HB2 LEU 42 - HE3 LYS 24 lone 1 71 - 1 - HB3 LEU 100 - HE2 LYS 19 lone 1 99 - 1 - QB ALA 29 - HE2 LYS 19 lone 1 99 - 1 - HB2 LEU 96 - HE2 LYS 19 lone 1 99 - 1 - HG3 LYS 95 - HE3 LYS 36 lone 1 62 - 1 - QB ALA 29 - HE3 LYS 24 lone 1 73 - 1 - HG3 LYS 95 - HE2 LYS 19 lone 1 90 - 1 - HG3 LYS 95 - HE3 LYS 86 lone 1 84 - 1 - QB ALA 15 - HE2 LYS 19 lone 1 98 - 1 - QB ALA 28 - HE3 LYS 24 lone 1 69 - 1 - QB ALA 15 - HE3 LYS 24 lone 1 71 - 1 - QB ALA 28 - HE3 LYS 86 lone 1 92 - 1 - QB ALA 109 - HE3 LYS 36 lone 1 46 - 2 - QB ALA 108 - HE2 LYS 24 lone 1 89 - 1 - HG2 LYS 95 - HE3 LYS 86 lone 1 73 - 1 - HG2 LYS 95 - HE2 LYS 19 lone 1 79 - 1 - HG2 LYS 95 - HE3 LYS 36 lone 1 52 - 1 - QB ALA 110 - HE2 LYS 24 lone 1 94 - 1 - QB ALA 28 - HE2 LYS 19 lone 1 97 - 1 - QB ALA 108 - HE2 LYS 19 lone 1 94 - 1 - HB2 LEU 96 - HE3 LYS 86 lone 1 96 - 1 - QB ALA 110 - HE2 LYS 19 lone 0 98 - 0 - HB3 LEU 100 - HE3 LYS 86 lone 0 95 - 0 - QB ALA 15 - HE3 LYS 86 lone 0 94 - 0 - QB ALA 108 - HE3 LYS 24 lone 0 66 - 1 - HB2 LEU 42 - HE3 LYS 86 lone 0 94 - 0 - QB ALA 110 - HE3 LYS 24 lone 0 71 - 1 - QB ALA 110 - HE3 LYS 86 lone 0 94 - 0 - QB ALA 109 - HE2 LYS 24 lone 0 66 - 1 - QB ALA 108 - HE3 LYS 86 lone 0 89 - 0 - QB ALA 109 - HE2 LYS 19 lone 0 71 - 0 - QB ALA 109 - HE3 LYS 24 lone 0 46 - 0 - QB ALA 109 - HE3 LYS 86 lone 0 66 - 0 - Peak 1055 from cnoeabs.peaks (1.47, 2.96, 41.80 ppm; 3.15 A): 3 out of 12 assignments used, quality = 0.98: * HG3 LYS 36 + HE2 LYS 36 OK 89 100 - 89 - 4.0=49, 1044/3.0=14...(36) HG3 LYS 36 + HE3 LYS 36 OK 65 73 - 89 - 4.0=49, 1044/3.0=14...(38) HG3 LYS 86 + HE3 LYS 86 OK 51 66 - 78 - 3.7=60, 1.8/2707=12...(13) HG3 LYS 36 - HE2 LYS 24 OK 38 96 - 41 - 1025=4, 1.8/1014=4...(20) HG3 LYS 36 - HE3 LYS 24 OK 28 73 - 38 - 1025=4, 1025/1.8=4...(18) HG3 LYS 86 - HE2 LYS 36 OK 24 73 - 32 - 1.8/2707=4, ~2707=3...(18) HG3 LYS 36 - HE2 LYS 19 OK 20 99 - 20 - 1025=2, 1.8/1014=2...(5) HG3 LYS 86 - HE2 LYS 24 OK 20 66 - 31 - 1.8/2707=4, ~2707=3...(17) HG3 LYS 86 - HE3 LYS 36 OK 15 46 - 32 - 1.8/2707=4, ~2707=3...(18) HG3 LYS 86 - HE3 LYS 24 OK 14 46 - 31 - 1.8/2707=5, 3.0/2705=3...(16) HG3 LYS 36 - HE3 LYS 86 OK 11 96 - 11 - 2697/1.8=2, 1025=1...(4) HG3 LYS 86 - HE2 LYS 19 poor 9 71 - 13 - 1.8/2707=2, 3.0/2705=1, 2668=1 Peak 1056 from cnoeabs.peaks (1.67, 2.96, 41.80 ppm; 2.50 A): 4 out of 42 assignments used, quality = 0.99: HD3 LYS 36 + HE2 LYS 36 OK 78 100 - 78 - 3.0=58, 1.8/1047=5...(26) * HD2 LYS 36 + HE2 LYS 36 OK 78 100 - 78 - 3.0=58, 1.8/1047=5...(26) HD3 LYS 36 + HE3 LYS 36 OK 57 73 - 78 - 3.0=58, 1036/1.8=5...(27) HD2 LYS 36 + HE3 LYS 36 OK 57 73 - 78 - 3.0=58, 1036/1.8=5...(27) HD2 LYS 24 - HE2 LYS 24 OK 42 58 - 72 - 3.0=59, 3.0/520=3...(10) HD2 LYS 24 - HE3 LYS 24 OK 28 41 - 70 - 3.0=59, 3.0/520=2...(10) HD2 LYS 36 - HE2 LYS 24 OK 17 96 - 18 - 1036=2, 3.0/1014=2...(6) HD3 LYS 36 - HE2 LYS 24 OK 17 96 - 18 - 1036=2, 3.0/1014=2...(6) HD2 LYS 36 - HE3 LYS 24 OK 12 73 - 16 - 1047=2, 3.0/1014=1...(5) HD3 LYS 36 - HE3 LYS 24 OK 12 73 - 16 - 1036=2, 3.0/1014=1...(5) HD2 LYS 31 - HE2 LYS 24 OK 12 58 - 20 - 2.9/561=1, 3.5/558=1 HD2 LYS 31 - HE2 LYS 19 OK 11 64 - 17 - 2.9/561=1 HD2 LYS 24 - HE2 LYS 19 OK 10 64 - 16 - 3.0/520=2, 3.0/561=1 HD2 LYS 36 - HE2 LYS 19 lone 10 99 - 10 - 1036=1 HD3 LYS 36 - HE2 LYS 19 lone 10 99 - 10 - 1036=1 HD2 LYS 24 - HE2 LYS 36 poor 8 65 - 12 - 3.0/520=1 HD2 LYS 31 - HE2 LYS 36 poor 7 65 - 11 - HD2 LYS 31 - HE3 LYS 24 poor 6 41 - 16 - HD3 LYS 36 - HE3 LYS 86 lone 6 96 - 7 - ~2697=1 HD2 LYS 36 - HE3 LYS 86 lone 6 96 - 7 - ~2697=1 HD2 LYS 24 - HE3 LYS 36 poor 5 41 - 12 - HB2 LEU 69 - HE2 LYS 36 lone 5 100 - 5 - HD2 LYS 31 - HE3 LYS 36 lone 4 41 - 10 - HB2 LEU 69 - HE3 LYS 36 lone 3 73 - 5 - HD2 LYS 24 - HE3 LYS 86 lone 3 58 - 5 - HD2 LYS 31 - HE3 LYS 86 lone 2 58 - 4 - HD2 LYS 39 - HE2 LYS 36 lone 2 73 - 3 - HB2 LEU 69 - HE2 LYS 24 lone 2 95 - 2 - HB2 LEU 69 - HE3 LYS 24 lone 1 73 - 2 - HD2 LYS 39 - HE3 LYS 36 lone 1 46 - 3 - QB ALA 88 - HE3 LYS 86 lone 1 58 - 1 - HB2 LEU 69 - HE2 LYS 19 lone 0 99 - 0 - HB2 LEU 69 - HE3 LYS 86 lone 0 95 - 0 - QB ALA 88 - HE2 LYS 36 lone 0 65 - 0 - QB ALA 88 - HE2 LYS 24 lone 0 58 - 0 - HD2 LYS 39 - HE2 LYS 19 lone 0 71 - 0 - HD2 LYS 39 - HE2 LYS 24 lone 0 66 - 0 - QB ALA 88 - HE2 LYS 19 lone 0 64 - 0 - QB ALA 88 - HE3 LYS 24 lone 0 41 - 0 - HD2 LYS 39 - HE3 LYS 86 lone 0 66 - 0 - QB ALA 88 - HE3 LYS 36 lone 0 41 - 0 - HD2 LYS 39 - HE3 LYS 24 lone 0 46 - 0 - Peak 1057 from cnoeabs.peaks (1.67, 2.96, 41.80 ppm; 2.50 A): 4 out of 42 assignments used, quality = 0.99: * HD3 LYS 36 + HE2 LYS 36 OK 78 100 - 78 - 3.0=58, 1.8/1047=5...(26) HD2 LYS 36 + HE2 LYS 36 OK 78 100 - 78 - 3.0=58, 1.8/1047=5...(26) HD3 LYS 36 + HE3 LYS 36 OK 57 73 - 78 - 3.0=58, 1036/1.8=5...(27) HD2 LYS 36 + HE3 LYS 36 OK 57 73 - 78 - 3.0=58, 1036/1.8=5...(27) HD2 LYS 24 - HE2 LYS 24 OK 42 58 - 72 - 3.0=59, 3.0/520=3...(10) HD2 LYS 24 - HE3 LYS 24 OK 28 41 - 70 - 3.0=59, 3.0/520=2...(10) HD2 LYS 36 - HE2 LYS 24 OK 17 96 - 18 - 1036=2, 3.0/1014=2...(6) HD3 LYS 36 - HE2 LYS 24 OK 17 96 - 18 - 1036=2, 3.0/1014=2...(6) HD2 LYS 36 - HE3 LYS 24 OK 12 73 - 16 - 1047=2, 3.0/1014=1...(5) HD3 LYS 36 - HE3 LYS 24 OK 12 73 - 16 - 1036=2, 3.0/1014=1...(5) HD2 LYS 31 - HE2 LYS 24 OK 12 58 - 20 - 2.9/561=1, 3.5/558=1 HD2 LYS 31 - HE2 LYS 19 OK 11 64 - 17 - 2.9/561=1 HD2 LYS 24 - HE2 LYS 19 OK 10 64 - 16 - 3.0/520=2, 3.0/561=1 HD2 LYS 36 - HE2 LYS 19 lone 10 99 - 10 - 1036=1 HD3 LYS 36 - HE2 LYS 19 lone 10 99 - 10 - 1036=1 HD2 LYS 24 - HE2 LYS 36 poor 8 65 - 12 - 3.0/520=1 HD2 LYS 31 - HE2 LYS 36 poor 7 65 - 11 - HD2 LYS 31 - HE3 LYS 24 poor 6 41 - 16 - HD3 LYS 36 - HE3 LYS 86 lone 6 96 - 7 - ~2697=1 HD2 LYS 36 - HE3 LYS 86 lone 6 96 - 7 - ~2697=1 HD2 LYS 24 - HE3 LYS 36 poor 5 41 - 12 - HB2 LEU 69 - HE2 LYS 36 lone 5 100 - 5 - HD2 LYS 31 - HE3 LYS 36 lone 4 41 - 10 - HB2 LEU 69 - HE3 LYS 36 lone 3 73 - 5 - HD2 LYS 24 - HE3 LYS 86 lone 3 58 - 5 - HD2 LYS 31 - HE3 LYS 86 lone 2 58 - 4 - HD2 LYS 39 - HE2 LYS 36 lone 2 73 - 3 - HB2 LEU 69 - HE2 LYS 24 lone 2 95 - 2 - HB2 LEU 69 - HE3 LYS 24 lone 1 73 - 2 - HD2 LYS 39 - HE3 LYS 36 lone 1 46 - 3 - QB ALA 88 - HE3 LYS 86 lone 1 58 - 1 - HB2 LEU 69 - HE2 LYS 19 lone 0 99 - 0 - HB2 LEU 69 - HE3 LYS 86 lone 0 95 - 0 - QB ALA 88 - HE2 LYS 36 lone 0 65 - 0 - QB ALA 88 - HE2 LYS 24 lone 0 58 - 0 - HD2 LYS 39 - HE2 LYS 19 lone 0 71 - 0 - HD2 LYS 39 - HE2 LYS 24 lone 0 66 - 0 - QB ALA 88 - HE2 LYS 19 lone 0 64 - 0 - QB ALA 88 - HE3 LYS 24 lone 0 41 - 0 - HD2 LYS 39 - HE3 LYS 86 lone 0 66 - 0 - QB ALA 88 - HE3 LYS 36 lone 0 41 - 0 - HD2 LYS 39 - HE3 LYS 24 lone 0 46 - 0 - Peak 1058 from cnoeabs.peaks (2.96, 2.96, 41.80 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: * HE2 LYS 36 + HE2 LYS 36 OK 100 100 - 100 HE2 LYS 19 + HE2 LYS 19 OK 99 99 - 100 HE3 LYS 86 + HE3 LYS 86 OK 94 94 - 100 HE2 LYS 24 + HE2 LYS 24 OK 94 94 - 100 HE3 LYS 36 + HE3 LYS 36 OK 66 66 - 100 HE3 LYS 24 + HE3 LYS 24 OK 66 66 - 100 Peak 1059 from cnoeabs.peaks (2.96, 2.96, 41.80 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: HE2 LYS 19 + HE2 LYS 19 OK 97 97 - 100 HE2 LYS 36 + HE2 LYS 36 OK 96 96 - 100 HE3 LYS 86 + HE3 LYS 86 OK 94 94 - 100 HE2 LYS 24 + HE2 LYS 24 OK 79 79 - 100 HE3 LYS 36 + HE3 LYS 36 OK 73 73 - 100 HE3 LYS 24 + HE3 LYS 24 OK 73 73 - 100 Reference assignment not found: HE3 LYS 36 - HE2 LYS 36 Peak 1062 from cnoeabs.peaks (4.27, 2.96, 41.80 ppm; 3.67 A): 3 out of 98 assignments used, quality = 0.97: * HA LYS 36 + HE3 LYS 36 OK 80 100 - 80 - 6.0=23, 978/4.0=20...(24) HA LYS 31 + HE2 LYS 31 OK 62 85 - 73 - 6.5=18, 793/3.7=14...(28) HA LYS 36 + HE2 LYS 36 OK 59 73 - 80 - 6.0=23, 978/4.0=20...(25) HA LYS 31 - HE3 LYS 24 OK 42 99 - 42 - 792/4.0=4, 795/3.0=4...(14) HA LYS 19 - HE2 LYS 19 OK 40 57 - 70 - 6.4=19, 241/3.8=10...(35) HA LYS 19 - HE3 LYS 19 OK 40 57 - 69 - 6.4=19, 241/3.8=10...(33) HA LYS 36 - HE3 LYS 24 OK 33 100 - 33 - 977/4.0=4, 3.0/1064=4...(14) HA LYS 26 - HE3 LYS 24 OK 30 87 - 35 - 598/4.0=3, 599/3.0=2...(13) HA LYS 31 - HE2 LYS 19 OK 30 85 - 35 - 792/3.8=4, 790/5.1=2...(8) HA LYS 26 - HE2 LYS 31 OK 29 70 - 42 - 833/3.7=4, 822/3.7=4...(14) HA LYS 31 - HE3 LYS 19 OK 29 85 - 34 - 792/3.8=4, 790/5.1=2...(8) HA LYS 31 - HE3 LYS 36 OK 29 99 - 29 - 1007/4.0=3, 1018/4.0=3...(9) HA LYS 36 - HE2 LYS 31 OK 25 87 - 28 - 833/3.7=3, 822/3.7=3...(12) HA LYS 26 - HE2 LYS 19 OK 24 70 - 34 - 241/3.8=4, 304/2.9=2...(10) HA LYS 19 - HE3 LYS 24 OK 23 73 - 32 - 4.2/318=3, 598/4.0=2...(12) HA LYS 26 - HE3 LYS 19 OK 23 70 - 34 - 241/3.8=4, 304/2.9=2...(12) HA LYS 31 - HE2 LYS 36 OK 21 71 - 29 - 1007/4.0=3, 1018/4.0=3...(7) HA LYS 19 - HE2 LYS 31 OK 18 57 - 32 - 833/3.7=3, 822/3.7=3...(7) HA LYS 26 - HE3 LYS 36 OK 17 87 - 19 - 1007/4.0=2, 1018/4.0=2...(6) HA LYS 36 - HE3 LYS 19 OK 15 87 - 17 - 3.0/1064=2, 4.1/1015=1...(4) HA LYS 19 - HE3 LYS 36 OK 14 73 - 19 - 4.2/318=1, 1007/4.0=1 HA LYS 36 - HE2 LYS 19 OK 13 87 - 15 - 3.0/1064=2, 4.1/1025=1...(4) HB THR 115 - HE3 LYS 36 OK 13 100 - 13 - 10191/4.0=6, 1018/4.0=2...(5) HA LYS 26 - HE2 LYS 36 OK 11 57 - 19 - 1007/4.0=2, 1018/4.0=2...(6) HA LYS 19 - HE2 LYS 36 poor 9 46 - 20 - 4.2/318=2, 1007/4.0=1 HB THR 115 - HE2 LYS 36 poor 9 73 - 13 - 10191/4.0=6, 1018/4.0=2...(5) HB THR 115 - HE3 LYS 24 lone 7 100 - 7 - 10191/4.0=3, 11521/7.4=1 HA LYS 36 - HE3 LYS 86 lone 7 96 - 7 - 978/3.7=3 HA ALA 108 - HE3 LYS 36 lone 5 99 - 5 - HA ALA 109 - HE3 LYS 36 lone 4 99 - 4 - HA LYS 31 - HE3 LYS 86 lone 4 94 - 4 - HA LEU 22 - HE3 LYS 36 lone 4 99 - 4 - 996/4.9=1 HA PHE 87 - HE3 LYS 86 lone 4 51 - 8 - ~7161=3, ~7160=3, 2724/4.9=2 HA ALA 108 - HE2 LYS 36 lone 4 71 - 5 - HA ALA 108 - HE2 LYS 31 lone 3 85 - 4 - HA ALA 109 - HE2 LYS 31 lone 3 85 - 4 - HA ALA 15 - HE2 LYS 31 lone 3 44 - 8 - 822/3.7=2, 833/3.7=2 HA LEU 22 - HE2 LYS 36 lone 3 71 - 4 - 996/4.9=1 HA ALA 109 - HE2 LYS 36 lone 3 71 - 4 - HA LYS 19 - HE3 LYS 86 lone 3 66 - 4 - HA LEU 22 - HE2 LYS 31 lone 2 85 - 3 - HA ALA 16 - HE3 LYS 36 lone 2 100 - 2 - HA PHE 87 - HE2 LYS 19 lone 2 44 - 5 - ~9834=1 HB THR 115 - HE2 LYS 31 lone 2 86 - 2 - HA PHE 87 - HE3 LYS 19 lone 2 44 - 5 - ~9834=1 HA LYS 26 - HE3 LYS 86 lone 2 79 - 2 - HB THR 115 - HE3 LYS 19 lone 2 86 - 2 - HA ALA 16 - HE2 LYS 36 lone 2 73 - 2 - HA ALA 110 - HE3 LYS 36 lone 1 65 - 2 - HA LEU 22 - HE3 LYS 24 lone 1 99 - 1 - HB THR 115 - HE2 LYS 19 lone 1 86 - 2 - HA GLN 61 - HE3 LYS 36 lone 1 87 - 2 - HA PHE 87 - HE3 LYS 24 lone 1 57 - 2 - HA ALA 108 - HE3 LYS 24 lone 1 99 - 1 - HA ALA 12 - HE2 LYS 19 lone 1 44 - 3 - HA ALA 12 - HE3 LYS 19 lone 1 44 - 3 - HA ALA 15 - HE3 LYS 36 lone 1 57 - 2 - HA ALA 16 - HE2 LYS 31 lone 1 86 - 1 - HA ALA 109 - HE3 LYS 24 lone 1 99 - 1 - HA PHE 87 - HE3 LYS 36 lone 1 57 - 2 - HA GLN 61 - HE2 LYS 31 lone 1 70 - 1 - HA ALA 110 - HE2 LYS 31 lone 1 50 - 2 - HA GLN 61 - HE2 LYS 36 lone 1 57 - 2 - HA ALA 15 - HE3 LYS 24 lone 1 57 - 2 - HA ALA 108 - HE2 LYS 19 lone 1 85 - 1 - HA ALA 110 - HE2 LYS 36 lone 1 41 - 2 - HA ALA 108 - HE3 LYS 19 lone 1 85 - 1 - HA GLN 61 - HE3 LYS 24 lone 1 87 - 1 - HA LEU 22 - HE2 LYS 19 lone 1 85 - 1 - HA LEU 22 - HE3 LYS 19 lone 1 85 - 1 - HA ALA 109 - HE2 LYS 19 lone 1 85 - 1 - HA ALA 109 - HE3 LYS 19 lone 1 85 - 1 - HB THR 115 - HE3 LYS 86 lone 1 95 - 1 - HA ALA 16 - HE3 LYS 24 lone 1 100 - 1 - HA ALA 15 - HE2 LYS 36 lone 1 35 - 2 - HA PHE 87 - HE2 LYS 31 lone 1 44 - 2 - HA GLN 61 - HE3 LYS 19 lone 1 70 - 1 - HA GLN 61 - HE3 LYS 86 lone 1 79 - 1 - HA ALA 16 - HE3 LYS 19 lone 1 86 - 1 - HA GLN 61 - HE2 LYS 19 lone 1 70 - 1 - HA ALA 16 - HE2 LYS 19 lone 1 86 - 1 - HA ALA 108 - HE3 LYS 86 lone 1 94 - 1 - HA PHE 87 - HE2 LYS 36 lone 1 35 - 2 - HA ALA 110 - HE3 LYS 24 lone 1 65 - 1 - HA LEU 22 - HE3 LYS 86 lone 1 94 - 1 - HA ALA 109 - HE3 LYS 86 lone 1 94 - 1 - HA ALA 16 - HE3 LYS 86 lone 0 95 - 0 - HA ALA 12 - HE3 LYS 24 lone 0 57 - 1 - HA ALA 12 - HE3 LYS 36 lone 0 57 - 1 - HA ALA 15 - HE3 LYS 19 lone 0 44 - 1 - HA ALA 15 - HE2 LYS 19 lone 0 44 - 1 - HA ALA 12 - HE2 LYS 31 lone 0 44 - 1 - HA ALA 110 - HE3 LYS 19 lone 0 50 - 1 - HA ALA 110 - HE2 LYS 19 lone 0 50 - 1 - HA ALA 110 - HE3 LYS 86 lone 0 58 - 0 - HA ALA 15 - HE3 LYS 86 lone 0 51 - 1 - HA ALA 12 - HE2 LYS 36 lone 0 35 - 1 - HA ALA 12 - HE3 LYS 86 lone 0 51 - 0 - Peak 1063 from cnoeabs.peaks (1.82, 2.96, 41.80 ppm; 3.24 A): 6 out of 77 assignments used, quality = 1.00: * HB2 LYS 36 + HE3 LYS 36 OK 84 100 - 84 - 4.9=28, 989/4.0=16...(37) HB3 LYS 24 + HE3 LYS 24 OK 66 98 - 67 - 5.1=26, 515/4.0=4...(32) HB2 LYS 36 + HE2 LYS 36 OK 61 73 - 83 - 4.9=28, 989/4.0=16...(36) HB3 LYS 19 + HE2 LYS 19 OK 58 75 - 77 - 5.1=26, 263/3.8=9...(50) HB3 LYS 19 + HE3 LYS 19 OK 58 75 - 77 - 5.1=26, 263/3.8=9...(42) HB3 LYS 31 + HE2 LYS 31 OK 56 75 - 75 - 4.8=30, 815/3.7=6...(37) HB3 LYS 26 - HE2 LYS 31 OK 42 85 - 50 - 619/3.7=3, 621/3.0=3...(19) HB2 LYS 36 - HE3 LYS 24 OK 38 100 - 38 - 1.8/1064=4, 3.0/1066=3...(18) HB3 LYS 26 - HE3 LYS 24 OK 37 99 - 37 - 620/4.0=3, 621/3.0=2...(14) HB3 LYS 31 - HE3 LYS 24 OK 36 92 - 39 - 3.0/840=2, ~558=2...(13) HB3 LYS 24 - HE2 LYS 19 OK 35 83 - 43 - 263/3.8=4, 306/2.9=3...(17) HB3 LYS 24 - HE3 LYS 19 OK 35 83 - 43 - 263/3.8=4, 306/2.9=3...(25) HB3 LYS 24 - HE2 LYS 31 OK 35 83 - 42 - 835/3.7=3, 824/3.7=3...(17) HB3 LYS 19 - HE3 LYS 24 OK 34 92 - 37 - 3.0/318=3, ~318=3...(15) HB3 LYS 26 - HE2 LYS 19 OK 33 85 - 39 - 273/3.8=2, 624/1.8=2...(18) HB3 LYS 26 - HE3 LYS 19 OK 30 85 - 36 - 273/3.8=2, 306/2.9=2...(18) HB3 LYS 31 - HE2 LYS 19 OK 29 75 - 39 - 263/3.8=4, 265/2.9=2...(15) HB ILE 32 - HE2 LYS 31 OK 28 86 - 32 - ~10757=5, ~10840=5...(11) HB3 LYS 31 - HE3 LYS 19 OK 27 75 - 36 - 263/3.8=4, 266/2.9=2...(14) HB3 LYS 19 - HE2 LYS 31 OK 27 75 - 36 - 835/3.7=3, 824/3.7=3...(10) HB3 LYS 24 - HE3 LYS 36 OK 25 98 - 26 - 1008/4.0=2, 1019/4.0=2...(8) HB3 LYS 31 - HE3 LYS 36 OK 23 92 - 25 - 1019/4.0=2, 1008/4.0=2...(7) HB2 LYS 36 - HE2 LYS 31 OK 23 87 - 26 - 1.8/1064=2, 3.0/1026=2...(10) HB ILE 32 - HE3 LYS 36 OK 21 100 - 21 - ~10837=3, 3.2/10903=3...(9) HB3 LYS 26 - HE3 LYS 36 OK 20 99 - 20 - 1008/4.0=2, 1019/4.0=2...(5) HB3 LYS 19 - HE3 LYS 36 OK 20 92 - 21 - 3.0/318=2, ~318=1...(4) HB2 LYS 36 - HE3 LYS 19 OK 19 87 - 21 - 1.8/1064=2, 3.0/1015=1...(7) HB3 LYS 24 - HE2 LYS 36 OK 17 69 - 25 - 1008/4.0=2, 1019/4.0=2...(6) HB ILE 32 - HE2 LYS 19 OK 17 86 - 20 - 900/3.8=3, 3.2/10903=2...(10) HB2 LYS 36 - HE2 LYS 19 OK 17 87 - 19 - 1.8/1064=2, 3.0/1025=1...(5) HB3 LYS 31 - HE2 LYS 36 OK 16 62 - 25 - 1019/4.0=2, 1008/4.0=2...(5) HB ILE 32 - HE2 LYS 36 OK 15 73 - 21 - ~10837=3, 10825/1.8=2...(10) HB3 LYS 26 - HE2 LYS 36 OK 14 71 - 20 - 1008/4.0=2, 1019/4.0=2...(5) HB ILE 32 - HE3 LYS 19 OK 14 86 - 16 - 900/3.8=3, 3.2/10903=2...(5) HB3 LYS 19 - HE2 LYS 36 OK 14 62 - 22 - 3.0/318=2, ~318=1...(4) HB ILE 32 - HE3 LYS 24 OK 10 100 - 10 - 900/4.0=2, 3.2/10903=2 HB2 LYS 36 - HE3 LYS 86 lone 9 96 - 10 - 989/3.7=2, ~2697=2, 1.8/1064=1 HB2 LEU 100 - HE3 LYS 36 lone 8 92 - 9 - 1008/4.0=2, 1019/4.0=1 HB3 LEU 123 - HE3 LYS 36 lone 6 69 - 9 - 3.2/10705=2, 1008/4.0=2 HB2 LEU 100 - HE2 LYS 36 lone 5 62 - 9 - 1008/4.0=2, 1019/4.0=1 HB3 ARG 23 - HE3 LYS 24 lone 4 87 - 5 - 6214/7.4=1 HB2 LEU 100 - HE3 LYS 24 lone 4 92 - 5 - HB3 LYS 31 - HE3 LYS 86 lone 4 84 - 5 - HB3 LEU 123 - HE2 LYS 36 lone 4 43 - 9 - ~10705=2, 1008/4.0=2, 1019/4.0=1 HB3 LEU 123 - HE3 LYS 19 lone 4 54 - 8 - 3.2/10705=2 HB3 LEU 123 - HE2 LYS 19 lone 4 54 - 7 - ~10705=2 HB3 LYS 24 - HE3 LYS 86 lone 3 92 - 3 - HB3 LYS 26 - HE3 LYS 86 lone 2 94 - 2 - HB3 LYS 19 - HE3 LYS 86 lone 2 84 - 2 - HB3 ARG 135 - HE3 LYS 36 lone 1 100 - 1 - HB2 LEU 100 - HE2 LYS 31 lone 1 75 - 2 - HB3 LEU 123 - HE3 LYS 24 lone 1 69 - 2 - HB3 ARG 23 - HE2 LYS 19 lone 1 70 - 2 - HB3 ARG 23 - HE3 LYS 19 lone 1 70 - 2 - HB3 ARG 135 - HE2 LYS 36 lone 1 73 - 1 - HB3 ARG 23 - HE3 LYS 36 lone 1 87 - 1 - HB ILE 32 - HE3 LYS 86 lone 1 95 - 1 - HB2 LEU 100 - HE2 LYS 19 lone 1 75 - 1 - HB2 LEU 100 - HE3 LYS 19 lone 1 75 - 1 - HB3 LEU 123 - HE3 LYS 86 lone 1 62 - 1 - HB3 LEU 123 - HE2 LYS 31 lone 1 54 - 1 - HB3 ARG 23 - HE2 LYS 31 lone 1 70 - 1 - HB3 ARG 135 - HE3 LYS 24 lone 1 100 - 1 - HB3 ARG 23 - HE2 LYS 36 lone 1 57 - 1 - HB3 ARG 135 - HE2 LYS 31 lone 1 86 - 1 - HB2 LEU 100 - HE3 LYS 86 lone 1 84 - 1 - HB3 ARG 135 - HE3 LYS 19 lone 1 86 - 1 - HB3 ARG 135 - HE2 LYS 19 lone 1 86 - 1 - HB2 ARG 84 - HE3 LYS 36 lone 0 73 - 1 - HB2 ARG 84 - HE2 LYS 31 lone 0 57 - 1 - HB2 ARG 84 - HE3 LYS 24 lone 0 73 - 0 - HB3 ARG 135 - HE3 LYS 86 lone 0 95 - 0 - HB2 ARG 84 - HE3 LYS 19 lone 0 57 - 1 - HB2 ARG 84 - HE2 LYS 19 lone 0 57 - 1 - HB3 ARG 23 - HE3 LYS 86 lone 0 79 - 0 - HB2 ARG 84 - HE2 LYS 36 lone 0 46 - 1 - HB2 ARG 84 - HE3 LYS 86 lone 0 66 - 0 - Peak 1064 from cnoeabs.peaks (1.88, 2.96, 41.80 ppm; 3.50 A): 2 out of 14 assignments used, quality = 0.96: * HB3 LYS 36 + HE3 LYS 36 OK 88 100 - 88 - 4.9=36, 1031/3.0=13...(45) HB3 LYS 36 + HE2 LYS 36 OK 65 73 - 88 - 4.9=36, 1042/3.0=13...(45) HB3 LYS 36 - HE3 LYS 24 OK 42 100 - 42 - 999/4.0=4, 3.0/1066=3...(21) HB3 LYS 36 - HE2 LYS 31 OK 26 87 - 31 - 1001/3.0=2, 3.0/1026=2...(10) HB3 LEU 123 - HE3 LYS 36 OK 26 92 - 28 - 1009/4.0=7, 1020/4.0=7...(7) HB3 LYS 36 - HE3 LYS 19 OK 20 87 - 22 - 3.0/1015=2, 3.0/1026=2...(6) HB3 LYS 36 - HE2 LYS 19 OK 19 87 - 22 - 3.0/1025=2, 3.0/1014=2...(5) HB3 LEU 123 - HE2 LYS 36 OK 17 63 - 28 - 1009/4.0=7, 1020/4.0=7...(7) HB3 LYS 36 - HE3 LYS 86 OK 11 96 - 11 - 1000/3.7=3, ~2697=2 HB3 LEU 123 - HE3 LYS 19 lone 7 75 - 10 - 3.2/10705=3, 3930/2.9=1 HB3 LEU 123 - HE2 LYS 19 lone 7 75 - 9 - ~10705=2, 3930/2.9=1, 3930/2.9=1 HB3 LEU 123 - HE3 LYS 24 lone 2 92 - 2 - HB3 LEU 123 - HE3 LYS 86 lone 2 85 - 2 - HB3 LEU 123 - HE2 LYS 31 lone 1 75 - 2 - Peak 1065 from cnoeabs.peaks (1.38, 2.96, 41.80 ppm; 2.67 A): 3 out of 98 assignments used, quality = 0.95: * HG2 LYS 36 + HE3 LYS 36 OK 73 100 - 73 - 4.0=30, 1013/3.0=8...(31) HG2 LYS 24 + HE3 LYS 24 OK 61 100 - 61 - 4.0=30, 520/1.8=5...(18) HG2 LYS 36 + HE2 LYS 36 OK 53 73 - 72 - 4.0=30, 1013/3.0=8...(31) HG3 LYS 26 - HE2 LYS 31 OK 30 86 - 34 - 1.8/635=2, 645/1.8=2...(12) HG2 LYS 24 - HE2 LYS 19 OK 28 86 - 32 - 517/3.8=3, 520=2...(8) HG2 LYS 24 - HE3 LYS 19 OK 28 86 - 32 - 520/1.8=3, 517/3.8=3...(11) HG2 LYS 36 - HE3 LYS 24 OK 28 100 - 28 - 1.8/1066=3, 1014/1.8=3...(9) HG2 LYS 24 - HE2 LYS 31 OK 25 86 - 29 - 517/3.7=2, 521=2...(6) HG3 LYS 26 - HE3 LYS 24 OK 24 100 - 24 - 527/4.0=2, 1.8/634=1...(7) HG2 LYS 24 - HE3 LYS 36 OK 21 100 - 21 - 520/1.8=2, 1021/4.0=2...(6) HG3 LYS 26 - HE2 LYS 19 OK 20 86 - 23 - 527/3.8=2, 646/1.8=1...(5) HG3 LYS 26 - HE3 LYS 19 OK 18 86 - 20 - 527/3.8=2, 1.8/634=1...(4) HG2 LYS 24 - HE2 LYS 36 OK 15 73 - 21 - 520=2, 1021/4.0=2...(6) HG2 LYS 36 - HE2 LYS 31 OK 14 87 - 16 - 1015=2, 1.8/1066=2...(5) HG2 LYS 36 - HE3 LYS 19 OK 13 87 - 15 - 1015=1, 1.8/1066=1, 1014/1.8=1 HG3 LYS 26 - HE3 LYS 36 OK 12 100 - 13 - 1021/4.0=1 HG2 LYS 36 - HE2 LYS 19 OK 12 87 - 13 - 1014=1, 1015/1.8=1, 1.8/1066=1 HG3 LYS 26 - HE2 LYS 36 poor 9 73 - 13 - 1021/4.0=1 HG2 LYS 36 - HE3 LYS 86 lone 7 96 - 7 - ~2697=2, 1011/3.7=1 HB3 LEU 100 - HE3 LYS 36 lone 6 100 - 6 - 1021/4.0=1 HB3 LEU 100 - HE2 LYS 36 lone 4 73 - 6 - 1021/4.0=1 HB2 LEU 96 - HE2 LYS 31 lone 4 87 - 4 - 3070/3.7=1 HG3 LYS 95 - HE2 LYS 31 lone 3 75 - 4 - QB ALA 15 - HE2 LYS 31 lone 3 85 - 4 - 10790/4.8=2 HG2 LYS 24 - HE3 LYS 86 lone 3 95 - 3 - HG2 LYS 95 - HE2 LYS 31 lone 3 64 - 4 - HB3 LEU 100 - HE3 LYS 24 lone 3 100 - 3 - QB ALA 29 - HE3 LYS 86 lone 2 96 - 3 - 10790/4.9=1 HB2 LEU 96 - HE3 LYS 36 lone 2 100 - 2 - HG3 LYS 95 - HE3 LYS 24 lone 2 92 - 2 - QB ALA 108 - HE3 LYS 36 lone 2 96 - 2 - HG3 LYS 26 - HE3 LYS 86 lone 2 95 - 2 - HB2 LEU 96 - HE2 LYS 36 lone 2 73 - 2 - HG2 LYS 95 - HE3 LYS 24 lone 2 81 - 2 - HB2 LEU 96 - HE3 LYS 24 lone 1 100 - 1 - HB2 LEU 42 - HE3 LYS 36 lone 1 99 - 1 - QB ALA 28 - HE3 LYS 36 lone 1 98 - 1 - QB ALA 108 - HE2 LYS 36 lone 1 66 - 2 - QB ALA 15 - HE3 LYS 36 lone 1 99 - 1 - QB ALA 110 - HE3 LYS 36 lone 1 99 - 1 - HB2 LEU 42 - HE3 LYS 24 lone 1 99 - 1 - QB ALA 29 - HE3 LYS 36 lone 1 100 - 1 - QB ALA 109 - HE3 LYS 36 lone 1 73 - 1 - HG3 LYS 95 - HE3 LYS 36 lone 1 92 - 1 - QB ALA 28 - HE2 LYS 36 lone 1 69 - 1 - QB ALA 29 - HE3 LYS 24 lone 1 100 - 1 - QB ALA 28 - HE3 LYS 24 lone 1 98 - 1 - QB ALA 15 - HE3 LYS 24 lone 1 99 - 1 - QB ALA 28 - HE2 LYS 31 lone 1 83 - 1 - QB ALA 29 - HE2 LYS 31 lone 1 87 - 1 - QB ALA 15 - HE2 LYS 36 lone 1 71 - 1 - QB ALA 110 - HE2 LYS 36 lone 1 71 - 1 - QB ALA 108 - HE2 LYS 31 lone 1 79 - 1 - HB3 LEU 100 - HE2 LYS 31 lone 1 86 - 1 - QB ALA 29 - HE2 LYS 36 lone 1 73 - 1 - HG2 LYS 95 - HE3 LYS 36 lone 1 81 - 1 - HB2 LEU 42 - HE2 LYS 36 lone 1 71 - 1 - HB2 LEU 42 - HE3 LYS 19 lone 1 85 - 1 - HB2 LEU 96 - HE2 LYS 19 lone 1 87 - 1 - QB ALA 110 - HE2 LYS 31 lone 1 85 - 1 - HG3 LYS 95 - HE3 LYS 86 lone 1 84 - 1 - HG3 LYS 95 - HE2 LYS 36 lone 1 62 - 1 - HB2 LEU 96 - HE3 LYS 19 lone 1 87 - 1 - QB ALA 109 - HE2 LYS 36 lone 1 46 - 1 - QB ALA 28 - HE3 LYS 86 lone 1 92 - 1 - QB ALA 29 - HE2 LYS 19 lone 1 87 - 1 - HB3 LEU 100 - HE3 LYS 19 lone 1 86 - 1 - HB3 LEU 100 - HE2 LYS 19 lone 1 86 - 1 - QB ALA 29 - HE3 LYS 19 lone 1 87 - 1 - QB ALA 108 - HE3 LYS 24 lone 1 96 - 1 - QB ALA 109 - HE2 LYS 31 lone 1 57 - 1 - HG2 LYS 95 - HE3 LYS 86 lone 1 73 - 1 - HG3 LYS 95 - HE2 LYS 19 lone 0 75 - 1 - HG3 LYS 95 - HE3 LYS 19 lone 0 75 - 1 - QB ALA 15 - HE2 LYS 19 lone 0 85 - 1 - QB ALA 15 - HE3 LYS 19 lone 0 85 - 1 - QB ALA 110 - HE3 LYS 24 lone 0 99 - 0 - HB2 LEU 96 - HE3 LYS 86 lone 0 96 - 0 - HG2 LYS 95 - HE2 LYS 36 lone 0 52 - 1 - HB2 LEU 42 - HE2 LYS 19 lone 0 85 - 0 - HG2 LYS 95 - HE2 LYS 19 lone 0 64 - 1 - HG2 LYS 95 - HE3 LYS 19 lone 0 64 - 1 - QB ALA 28 - HE3 LYS 19 lone 0 83 - 0 - QB ALA 28 - HE2 LYS 19 lone 0 83 - 0 - HB3 LEU 100 - HE3 LYS 86 lone 0 95 - 0 - HB2 LEU 42 - HE2 LYS 31 lone 0 85 - 0 - QB ALA 15 - HE3 LYS 86 lone 0 94 - 0 - QB ALA 108 - HE2 LYS 19 lone 0 79 - 0 - QB ALA 110 - HE2 LYS 19 lone 0 85 - 0 - QB ALA 110 - HE3 LYS 19 lone 0 85 - 0 - QB ALA 108 - HE3 LYS 19 lone 0 79 - 0 - QB ALA 110 - HE3 LYS 86 lone 0 94 - 0 - QB ALA 109 - HE3 LYS 24 lone 0 73 - 0 - QB ALA 108 - HE3 LYS 86 lone 0 89 - 0 - HB2 LEU 42 - HE3 LYS 86 lone 0 94 - 0 - QB ALA 109 - HE2 LYS 19 lone 0 57 - 0 - QB ALA 109 - HE3 LYS 19 lone 0 57 - 0 - QB ALA 109 - HE3 LYS 86 lone 0 66 - 0 - Peak 1066 from cnoeabs.peaks (1.47, 2.96, 41.80 ppm; 2.81 A): 3 out of 14 assignments used, quality = 0.95: * HG3 LYS 36 + HE3 LYS 36 OK 80 100 - 80 - 4.0=35, 1033/3.0=11...(38) HG3 LYS 36 + HE2 LYS 36 OK 58 73 - 79 - 4.0=35, 1044/3.0=11...(36) HG3 LYS 86 + HE3 LYS 86 OK 42 66 - 64 - 3.7=43, 1.8/2707=10...(13) HG3 LYS 36 - HE3 LYS 24 OK 31 100 - 31 - 1026=3, 1025/1.8=3...(10) HG3 LYS 86 - HE3 LYS 36 OK 19 73 - 26 - 1.8/2707=4, ~2707=2...(12) HG3 LYS 86 - HE3 LYS 24 OK 18 73 - 25 - 1.8/2707=4, 3.0/2705=2...(9) HG3 LYS 36 - HE2 LYS 31 OK 17 87 - 19 - 1026=2, 1.8/1015=2...(6) HG3 LYS 36 - HE3 LYS 19 OK 14 87 - 16 - 1026=2, 1.8/1015=1...(4) HG3 LYS 36 - HE2 LYS 19 OK 13 87 - 15 - 1025=1, 1026/1.8=1, 1.8/1014=1 HG3 LYS 86 - HE2 LYS 36 OK 12 46 - 26 - 1.8/2707=4, ~2707=2...(12) HG3 LYS 36 - HE3 LYS 86 lone 8 96 - 8 - 2697/1.8=2 HG3 LYS 86 - HE2 LYS 31 poor 6 57 - 10 - 1.8/2707=1 HG3 LYS 86 - HE2 LYS 19 lone 6 57 - 10 - 1.8/2707=2 HG3 LYS 86 - HE3 LYS 19 lone 5 57 - 9 - 1.8/2657=1 Peak 1067 from cnoeabs.peaks (1.67, 2.96, 41.80 ppm; 2.50 A): 5 out of 49 assignments used, quality = 1.00: * HD2 LYS 36 + HE3 LYS 36 OK 78 100 - 78 - 3.0=58, 1036/1.8=5...(27) HD3 LYS 36 + HE3 LYS 36 OK 78 100 - 78 - 3.0=58, 1036/1.8=5...(27) HD2 LYS 36 + HE2 LYS 36 OK 57 73 - 77 - 3.0=58, 1048/1.8=5...(26) HD3 LYS 36 + HE2 LYS 36 OK 57 73 - 77 - 3.0=58, 1048/1.8=5...(26) HD2 LYS 24 + HE3 LYS 24 OK 45 65 - 69 - 3.0=59, 3.0/571=2...(10) HD2 LYS 31 - HE2 LYS 31 OK 37 50 - 73 - 3.0=58, 2.9/840=2...(9) HD2 LYS 36 - HE3 LYS 24 OK 17 100 - 17 - 1037=2, 3.0/1066=2...(6) HD3 LYS 36 - HE3 LYS 24 OK 17 100 - 17 - 1048=2, 3.0/1066=2...(6) HD2 LYS 31 - HE3 LYS 24 OK 11 65 - 17 - 2.9/840=1, 2.9/829=1 HD2 LYS 36 - HE3 LYS 19 poor 9 87 - 10 - 1037=1 HD3 LYS 36 - HE3 LYS 19 poor 9 87 - 10 - 1037=1 HD2 LYS 31 - HE2 LYS 19 poor 8 50 - 16 - HD3 LYS 36 - HE2 LYS 31 lone 8 87 - 9 - HD2 LYS 36 - HE2 LYS 31 lone 8 87 - 9 - HD3 LYS 36 - HE2 LYS 19 lone 8 87 - 9 - HD2 LYS 36 - HE2 LYS 19 lone 8 87 - 9 - HD2 LYS 31 - HE3 LYS 19 poor 8 50 - 15 - 2.9/840=1, 2.9/829=1 HD2 LYS 24 - HE3 LYS 36 poor 7 65 - 11 - HD2 LYS 24 - HE2 LYS 19 poor 7 50 - 14 - 3.0/520=1 HD2 LYS 24 - HE3 LYS 19 poor 7 50 - 14 - HD2 LYS 31 - HE3 LYS 36 poor 7 65 - 10 - HD3 LYS 36 - HE3 LYS 86 lone 6 96 - 6 - ~2697=1 HD2 LYS 36 - HE3 LYS 86 lone 6 96 - 6 - ~2697=1 HD2 LYS 24 - HE2 LYS 31 poor 6 50 - 13 - HB2 LEU 69 - HE3 LYS 36 lone 5 100 - 5 - HD2 LYS 24 - HE2 LYS 36 poor 5 41 - 11 - HD2 LYS 31 - HE2 LYS 36 poor 4 41 - 10 - HB2 LEU 69 - HE2 LYS 36 lone 3 73 - 5 - HD2 LYS 24 - HE3 LYS 86 lone 3 58 - 5 - HD2 LYS 31 - HE3 LYS 86 lone 2 58 - 4 - HD2 LYS 39 - HE3 LYS 36 lone 2 73 - 3 - HB2 LEU 69 - HE3 LYS 24 lone 2 100 - 2 - HB2 LEU 69 - HE2 LYS 31 lone 1 86 - 1 - HD2 LYS 39 - HE2 LYS 36 lone 1 46 - 3 - QB ALA 88 - HE3 LYS 86 lone 1 58 - 1 - HB2 LEU 69 - HE3 LYS 19 lone 0 86 - 0 - HB2 LEU 69 - HE2 LYS 19 lone 0 86 - 0 - HB2 LEU 69 - HE3 LYS 86 lone 0 95 - 0 - HD2 LYS 39 - HE3 LYS 24 lone 0 73 - 0 - QB ALA 88 - HE3 LYS 24 lone 0 65 - 0 - QB ALA 88 - HE3 LYS 36 lone 0 65 - 0 - HD2 LYS 39 - HE2 LYS 31 lone 0 57 - 0 - QB ALA 88 - HE2 LYS 31 lone 0 50 - 0 - HD2 LYS 39 - HE3 LYS 19 lone 0 57 - 0 - HD2 LYS 39 - HE3 LYS 86 lone 0 66 - 0 - QB ALA 88 - HE2 LYS 36 lone 0 41 - 0 - HD2 LYS 39 - HE2 LYS 19 lone 0 57 - 0 - QB ALA 88 - HE2 LYS 19 lone 0 50 - 0 - QB ALA 88 - HE3 LYS 19 lone 0 50 - 0 - Peak 1068 from cnoeabs.peaks (1.67, 2.96, 41.80 ppm; 2.50 A): 5 out of 49 assignments used, quality = 1.00: HD2 LYS 36 + HE3 LYS 36 OK 78 100 - 78 - 3.0=58, 1036/1.8=5...(27) * HD3 LYS 36 + HE3 LYS 36 OK 78 100 - 78 - 3.0=58, 1036/1.8=5...(27) HD2 LYS 36 + HE2 LYS 36 OK 57 73 - 77 - 3.0=58, 1048/1.8=5...(26) HD3 LYS 36 + HE2 LYS 36 OK 57 73 - 77 - 3.0=58, 1048/1.8=5...(26) HD2 LYS 24 + HE3 LYS 24 OK 45 65 - 69 - 3.0=59, 3.0/571=2...(10) HD2 LYS 31 - HE2 LYS 31 OK 37 50 - 73 - 3.0=58, 2.9/840=2...(9) HD2 LYS 36 - HE3 LYS 24 OK 17 100 - 17 - 1037=2, 3.0/1066=2...(6) HD3 LYS 36 - HE3 LYS 24 OK 17 100 - 17 - 1048=2, 3.0/1066=2...(6) HD2 LYS 31 - HE3 LYS 24 OK 11 65 - 17 - 2.9/840=1, 2.9/829=1 HD2 LYS 36 - HE3 LYS 19 poor 9 87 - 10 - 1037=1 HD3 LYS 36 - HE3 LYS 19 poor 9 87 - 10 - 1037=1 HD2 LYS 31 - HE2 LYS 19 poor 8 50 - 16 - HD3 LYS 36 - HE2 LYS 31 lone 8 87 - 9 - HD2 LYS 36 - HE2 LYS 31 lone 8 87 - 9 - HD3 LYS 36 - HE2 LYS 19 lone 8 87 - 9 - HD2 LYS 36 - HE2 LYS 19 lone 8 87 - 9 - HD2 LYS 31 - HE3 LYS 19 poor 8 50 - 15 - 2.9/840=1, 2.9/829=1 HD2 LYS 24 - HE3 LYS 36 poor 7 65 - 11 - HD2 LYS 24 - HE2 LYS 19 poor 7 50 - 14 - 3.0/520=1 HD2 LYS 24 - HE3 LYS 19 poor 7 50 - 14 - HD2 LYS 31 - HE3 LYS 36 poor 7 65 - 10 - HD3 LYS 36 - HE3 LYS 86 lone 6 96 - 6 - ~2697=1 HD2 LYS 36 - HE3 LYS 86 lone 6 96 - 6 - ~2697=1 HD2 LYS 24 - HE2 LYS 31 poor 6 50 - 13 - HB2 LEU 69 - HE3 LYS 36 lone 5 100 - 5 - HD2 LYS 24 - HE2 LYS 36 poor 5 41 - 11 - HD2 LYS 31 - HE2 LYS 36 poor 4 41 - 10 - HB2 LEU 69 - HE2 LYS 36 lone 3 73 - 5 - HD2 LYS 24 - HE3 LYS 86 lone 3 58 - 5 - HD2 LYS 31 - HE3 LYS 86 lone 2 58 - 4 - HD2 LYS 39 - HE3 LYS 36 lone 2 73 - 3 - HB2 LEU 69 - HE3 LYS 24 lone 2 100 - 2 - HB2 LEU 69 - HE2 LYS 31 lone 1 86 - 1 - HD2 LYS 39 - HE2 LYS 36 lone 1 46 - 3 - QB ALA 88 - HE3 LYS 86 lone 1 58 - 1 - HB2 LEU 69 - HE3 LYS 19 lone 0 86 - 0 - HB2 LEU 69 - HE2 LYS 19 lone 0 86 - 0 - HB2 LEU 69 - HE3 LYS 86 lone 0 95 - 0 - HD2 LYS 39 - HE3 LYS 24 lone 0 73 - 0 - QB ALA 88 - HE3 LYS 24 lone 0 65 - 0 - QB ALA 88 - HE3 LYS 36 lone 0 65 - 0 - HD2 LYS 39 - HE2 LYS 31 lone 0 57 - 0 - QB ALA 88 - HE2 LYS 31 lone 0 50 - 0 - HD2 LYS 39 - HE3 LYS 19 lone 0 57 - 0 - HD2 LYS 39 - HE3 LYS 86 lone 0 66 - 0 - QB ALA 88 - HE2 LYS 36 lone 0 41 - 0 - HD2 LYS 39 - HE2 LYS 19 lone 0 57 - 0 - QB ALA 88 - HE2 LYS 19 lone 0 50 - 0 - QB ALA 88 - HE3 LYS 19 lone 0 50 - 0 - Peak 1069 from cnoeabs.peaks (2.96, 2.96, 41.80 ppm; diagonal): 7 out of 7 assignments used, quality = 1.00: HE3 LYS 24 + HE3 LYS 24 OK 96 96 - 100 HE3 LYS 36 + HE3 LYS 36 OK 96 96 - 100 HE3 LYS 86 + HE3 LYS 86 OK 94 94 - 100 HE2 LYS 19 + HE2 LYS 19 OK 86 86 - 100 HE2 LYS 36 + HE2 LYS 36 OK 73 73 - 100 HE3 LYS 19 + HE3 LYS 19 OK 64 64 - 100 HE2 LYS 31 + HE2 LYS 31 OK 64 64 - 100 Reference assignment not found: HE2 LYS 36 - HE3 LYS 36 Peak 1070 from cnoeabs.peaks (2.96, 2.96, 41.80 ppm; diagonal): 7 out of 7 assignments used, quality = 1.00: HE3 LYS 24 + HE3 LYS 24 OK 100 100 - 100 * HE3 LYS 36 + HE3 LYS 36 OK 100 100 - 100 HE3 LYS 86 + HE3 LYS 86 OK 94 94 - 100 HE2 LYS 31 + HE2 LYS 31 OK 83 83 - 100 HE3 LYS 19 + HE3 LYS 19 OK 83 83 - 100 HE2 LYS 19 + HE2 LYS 19 OK 83 83 - 100 HE2 LYS 36 + HE2 LYS 36 OK 66 66 - 100 Peak 1072 from cnoeabs.peaks (7.97, 4.02, 61.28 ppm; 3.21 A): 1 out of 3 assignments used, quality = 1.00: * H ILE 37 + HA ILE 37 OK 100 100 - 100 - 2.9=100 H THR 18 - HA ILE 37 OK 24 87 - 27 - 1080/3.0=5, 1088/3.2=5...(9) H ASP 64 - HA ILE 37 OK 11 73 - 15 - 1080/3.0=3, 1088/3.2=2...(7) Peak 1073 from cnoeabs.peaks (4.02, 4.02, 61.28 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ILE 37 + HA ILE 37 OK 100 100 - 100 Peak 1074 from cnoeabs.peaks (1.97, 4.02, 61.28 ppm; 3.85 A): 2 out of 2 assignments used, quality = 1.00: * HB ILE 37 + HA ILE 37 OK 100 100 - 100 - 3.0=100 HB2 GLN 27 + HA ILE 37 OK 46 98 - 47 - 1090/3.2=9, 6413/2.9=8...(12) Peak 1075 from cnoeabs.peaks (0.94, 4.02, 61.28 ppm; 3.53 A): 1 out of 3 assignments used, quality = 1.00: * QG2 ILE 37 + HA ILE 37 OK 100 100 - 100 - 3.2=100 QD1 LEU 119 - HA ILE 37 OK 39 87 - 45 - 3798=7, 2.1/3790=5...(16) QD1 LEU 123 - HA ILE 37 OK 34 73 - 46 - 1083/3.0=7, 1107/4.0=6...(16) Peak 1076 from cnoeabs.peaks (1.28, 4.02, 61.28 ppm; 4.11 A): 1 out of 2 assignments used, quality = 1.00: * HG12 ILE 37 + HA ILE 37 OK 100 100 - 100 - 4.0=100 HB3 LEU 43 - HA ILE 37 OK 31 87 - 36 - 1084/3.0=9, 1092/3.2=8...(6) Peak 1077 from cnoeabs.peaks (1.56, 4.02, 61.28 ppm; 4.25 A): 3 out of 3 assignments used, quality = 1.00: * HG13 ILE 37 + HA ILE 37 OK 100 100 - 100 - 4.0=100 HG LEU 103 + HA ILE 37 OK 70 92 - 76 - 2.1/3397=12, 3389=12...(17) HG LEU 123 + HA ILE 37 OK 49 87 - 56 - 1085/3.0=9, 1093/3.2=9...(15) Peak 1078 from cnoeabs.peaks (0.78, 4.02, 61.28 ppm; 3.60 A): 2 out of 6 assignments used, quality = 0.98: * QD1 ILE 37 + HA ILE 37 OK 94 100 - 94 - 4.2=65, 1115/3.2=21...(18) QD1 LEU 103 + HA ILE 37 OK 65 98 - 66 - 3397=13, 3400/4.0=9...(16) QD1 ILE 32 - HA ILE 37 OK 31 99 - 31 - 2.1/10905=6, 1094/3.2=4...(9) QG1 VAL 63 - HA ILE 37 OK 24 96 - 25 - 2032/2.9=5, 11015/4.0=4...(11) QD1 LEU 96 - HA ILE 37 OK 15 81 - 18 - ~10911=7, 1094/3.2=2...(7) QD2 LEU 122 - HA ILE 37 poor 10 73 - 13 - 3.1/3866=2, ~10913=2...(5) Peak 1079 from cnoeabs.peaks (7.98, 4.02, 61.28 ppm; 3.30 A): 1 out of 4 assignments used, quality = 0.94: * H SER 38 + HA ILE 37 OK 94 100 - 94 - 3.6=80, 6420/2.9=28...(12) H SER 51 - HA ILE 37 OK 29 99 - 29 - 1095/3.2=6, 1087/3.0=6...(6) H THR 18 - HA ILE 37 OK 12 65 - 18 - ~10920=4, 4.0/10905=3...(9) H SER 94 - HA ILE 37 OK 11 57 - 19 - 11917/3.2=5, 3.4/7298=3...(9) Peak 1080 from cnoeabs.peaks (7.97, 1.97, 38.06 ppm; 3.19 A): 3 out of 3 assignments used, quality = 0.91: * H ILE 37 + HB ILE 37 OK 87 100 - 87 - 3.8=57, 1088/2.1=22...(11) H THR 18 + HB ILE 37 OK 25 87 - 29 - 1088/2.1=6, 3.0/10920=6...(7) H ASP 64 + HB ILE 37 OK 13 73 - 17 - 1088/2.1=3, 1112/3.2=3...(6) Peak 1081 from cnoeabs.peaks (4.02, 1.97, 38.06 ppm; 4.06 A): 3 out of 7 assignments used, quality = 1.00: * HA ILE 37 + HB ILE 37 OK 100 100 - 100 - 3.0=100 HB2 SER 38 + HB ILE 37 OK 69 87 - 80 - 3.9/6422=20, ~9015=17...(18) HA LEU 103 + HB ILE 37 OK 62 96 - 65 - 3366/2.9=12, ~10913=12...(20) HA LEU 119 - HB ILE 37 OK 37 92 - 41 - 3760/2.1=9, ~3771=5...(13) HA LYS 95 - HB ILE 37 OK 15 100 - 15 - 4.9/9003=4, 1089/2.1=2...(7) HA ARG 135 - HB ILE 37 lone 8 98 - 8 - ~4313=1, ~4321=1 HB3 SER 124 - HB ILE 37 lone 7 65 - 10 - 3.0/9003=2, ~9004=2, 10373/3.2=2 Peak 1082 from cnoeabs.peaks (1.97, 1.97, 38.06 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 37 + HB ILE 37 OK 100 100 - 100 Peak 1083 from cnoeabs.peaks (0.94, 1.97, 38.06 ppm; 3.26 A): 1 out of 3 assignments used, quality = 1.00: * QG2 ILE 37 + HB ILE 37 OK 100 100 - 100 - 2.1=100 QD1 LEU 123 - HB ILE 37 OK 40 73 - 55 - 1107/2.9=7, 2.1/1085=7...(21) QD1 LEU 119 - HB ILE 37 OK 31 87 - 36 - 1075/3.0=5, 1099/2.9=4...(16) Peak 1084 from cnoeabs.peaks (1.28, 1.97, 38.06 ppm; 3.90 A): 1 out of 2 assignments used, quality = 1.00: * HG12 ILE 37 + HB ILE 37 OK 100 100 - 100 - 2.9=100 HB3 LEU 43 - HB ILE 37 OK 40 87 - 46 - 1092/2.1=10, 1108/2.9=7...(11) Peak 1085 from cnoeabs.peaks (1.56, 1.97, 38.06 ppm; 3.79 A): 3 out of 3 assignments used, quality = 1.00: * HG13 ILE 37 + HB ILE 37 OK 100 100 - 100 - 2.9=100 HG LEU 103 + HB ILE 37 OK 70 92 - 76 - 1093/2.1=12, ~10913=10...(25) HG LEU 123 + HB ILE 37 OK 58 87 - 67 - ~10916=10, 2.1/1083=10...(20) Peak 1086 from cnoeabs.peaks (0.78, 1.97, 38.06 ppm; 3.58 A): 2 out of 6 assignments used, quality = 1.00: * QD1 ILE 37 + HB ILE 37 OK 100 100 - 100 - 3.2=100 QD1 LEU 103 + HB ILE 37 OK 71 98 - 72 - 3400/2.9=12, 1094/2.1=10...(26) QD1 ILE 32 - HB ILE 37 OK 43 99 - 43 - ~10917=6, ~10914=6...(14) QG1 VAL 63 - HB ILE 37 OK 23 96 - 24 - 11015/2.9=4, 2032/3.8=4...(9) QD1 LEU 96 - HB ILE 37 OK 20 81 - 24 - ~10911=10, 1094/2.1=3...(9) QD2 LEU 122 - HB ILE 37 OK 10 73 - 14 - ~10913=2, 1094/2.1=2...(4) Peak 1087 from cnoeabs.peaks (7.98, 1.97, 38.06 ppm; 3.32 A): 4 out of 4 assignments used, quality = 0.94: * H SER 38 + HB ILE 37 OK 87 100 - 87 - 4.5=41, 6423/2.1=22...(16) H SER 51 + HB ILE 37 OK 34 99 - 35 - 1095/2.1=9, 1103/2.9=6...(7) H SER 94 + HB ILE 37 OK 16 57 - 28 - 3.6/9964=7, 11917/2.1=6...(8) H THR 18 + HB ILE 37 OK 11 65 - 17 - 3.0/10920=7, 1095/2.1=2...(7) Peak 1088 from cnoeabs.peaks (7.97, 0.94, 17.33 ppm; 3.15 A): 3 out of 3 assignments used, quality = 0.90: * H ILE 37 + QG2 ILE 37 OK 86 100 - 86 - 4.0=48, 6413/2.1=27...(13) H THR 18 + QG2 ILE 37 OK 24 87 - 28 - 1080/2.1=6, ~10920=5...(8) H ASP 64 + QG2 ILE 37 OK 12 73 - 17 - 1112/3.0=3, 1080/2.1=3...(7) Peak 1089 from cnoeabs.peaks (4.02, 0.94, 17.33 ppm; 3.25 A): 3 out of 7 assignments used, quality = 1.00: * HA ILE 37 + QG2 ILE 37 OK 100 100 - 100 - 3.2=100 HB2 SER 38 + QG2 ILE 37 OK 54 87 - 63 - 3.0/9015=17, 3.9/6423=13...(17) HA LEU 103 + QG2 ILE 37 OK 47 96 - 50 - 3.0/10913=12, 3366/3.2=7...(18) HA LEU 119 - QG2 ILE 37 OK 34 92 - 37 - 3760=6, 2.9/3771=4...(15) HA LYS 95 - QG2 ILE 37 OK 14 100 - 13 - 3.9/10911=3, 4.9/9004=3...(4) HB3 SER 124 - QG2 ILE 37 lone 6 65 - 8 - 3.0/9004=2, 4.0/7767=1 HA ARG 135 - QG2 ILE 37 lone 5 98 - 5 - Peak 1090 from cnoeabs.peaks (1.97, 0.94, 17.33 ppm; 2.91 A): 1 out of 2 assignments used, quality = 1.00: * HB ILE 37 + QG2 ILE 37 OK 100 100 - 100 - 2.1=100 HB2 GLN 27 - QG2 ILE 37 OK 33 98 - 33 - 1114/3.0=5, 1098/3.2=5...(12) Peak 1091 from cnoeabs.peaks (0.94, 0.94, 17.33 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 37 + QG2 ILE 37 OK 100 100 - 100 Peak 1092 from cnoeabs.peaks (1.28, 0.94, 17.33 ppm; 3.20 A): 1 out of 2 assignments used, quality = 1.00: * HG12 ILE 37 + QG2 ILE 37 OK 100 100 - 100 - 3.2=100 HB3 LEU 43 - QG2 ILE 37 OK 29 87 - 34 - 1084/2.1=7, 1116/3.0=5...(12) Peak 1093 from cnoeabs.peaks (1.56, 0.94, 17.33 ppm; 3.27 A): 3 out of 3 assignments used, quality = 1.00: * HG13 ILE 37 + QG2 ILE 37 OK 100 100 - 100 - 3.2=100 HG LEU 103 + QG2 ILE 37 OK 60 92 - 65 - 3.0/10913=12, 2.1/1094=9...(24) HG LEU 123 + QG2 ILE 37 OK 48 87 - 56 - 1085/2.1=7, ~10916=6...(22) Peak 1094 from cnoeabs.peaks (0.78, 0.94, 17.33 ppm; 2.88 A): 2 out of 6 assignments used, quality = 0.97: * QD1 ILE 37 + QG2 ILE 37 OK 93 100 - 93 - 3.0=85, 2.1/1092=20...(15) QD1 LEU 103 + QG2 ILE 37 OK 54 98 - 55 - 3.2/10913=9, 2.1/1093=7...(22) QD1 ILE 32 - QG2 ILE 37 OK 30 99 - 31 - 1086/2.1=3, ~10914=3...(14) QG1 VAL 63 - QG2 ILE 37 OK 17 96 - 18 - 11015/3.2=2, 2032/4.0=2...(8) QD1 LEU 96 - QG2 ILE 37 OK 16 81 - 20 - 2.1/10911=10, 1086/2.1=2...(6) QD2 LEU 122 - QG2 ILE 37 poor 8 73 - 11 - 3.1/10913=2 Peak 1095 from cnoeabs.peaks (7.98, 0.94, 17.33 ppm; 3.25 A): 4 out of 4 assignments used, quality = 0.95: * H SER 38 + QG2 ILE 37 OK 88 100 - 88 - 4.2=47, 6422/2.1=20...(16) H SER 51 + QG2 ILE 37 OK 40 99 - 40 - 4.7/11698=11, 1087/2.1=7...(10) H SER 94 + QG2 ILE 37 OK 13 57 - 24 - 11917=5, 2.9/9004=4...(8) H THR 18 + QG2 ILE 37 OK 11 65 - 17 - ~10920=5, 1087/2.1=2...(8) Peak 1096 from cnoeabs.peaks (7.97, 1.28, 27.60 ppm; 3.44 A): 3 out of 3 assignments used, quality = 0.92: * H ILE 37 + HG12 ILE 37 OK 87 100 - 87 - 6415=41, 6413/2.9=25...(11) H THR 18 + HG12 ILE 37 OK 27 87 - 31 - 1104/1.8=8, 1112/2.1=7...(6) H ASP 64 + HG12 ILE 37 OK 14 73 - 19 - 1112/2.1=5, 1104/1.8=4...(7) Peak 1097 from cnoeabs.peaks (4.02, 1.28, 27.60 ppm; 3.77 A): 3 out of 7 assignments used, quality = 1.00: * HA ILE 37 + HG12 ILE 37 OK 98 100 - 98 - 4.0=85, 2.9/6415=27...(19) HB2 SER 38 + HG12 ILE 37 OK 62 87 - 71 - 3.0/9016=17, 3.9/6424=13...(17) HA LEU 103 + HG12 ILE 37 OK 57 96 - 59 - 3366/1.8=13, 1113/2.1=9...(15) HA LEU 119 - HG12 ILE 37 OK 25 92 - 27 - 3760/3.2=6, 1105/1.8=4...(9) HA LYS 95 - HG12 ILE 37 lone 8 100 - 8 - 1113/2.1=2, 1089/3.2=2...(4) HB3 SER 124 - HG12 ILE 37 lone 5 65 - 7 - 10373/2.1=2, ~9004=1 HA ARG 135 - HG12 ILE 37 lone 4 98 - 4 - Peak 1098 from cnoeabs.peaks (1.97, 1.28, 27.60 ppm; 3.60 A): 1 out of 2 assignments used, quality = 1.00: * HB ILE 37 + HG12 ILE 37 OK 100 100 - 100 - 2.9=100 HB2 GLN 27 - HG12 ILE 37 OK 43 98 - 44 - 1106/1.8=11, 1114/2.1=10...(12) Peak 1099 from cnoeabs.peaks (0.94, 1.28, 27.60 ppm; 3.43 A): 2 out of 3 assignments used, quality = 1.00: * QG2 ILE 37 + HG12 ILE 37 OK 100 100 - 100 - 3.2=100 QD1 LEU 123 + HG12 ILE 37 OK 46 73 - 63 - 3.2/10916=14...(18) QD1 LEU 119 - HG12 ILE 37 OK 26 87 - 30 - 1107/1.8=5, 1083/2.9=5...(10) Peak 1100 from cnoeabs.peaks (1.28, 1.28, 27.60 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 37 + HG12 ILE 37 OK 100 100 - 100 Peak 1101 from cnoeabs.peaks (1.56, 1.28, 27.60 ppm; 2.76 A): 1 out of 3 assignments used, quality = 1.00: * HG13 ILE 37 + HG12 ILE 37 OK 100 100 - 100 - 1.8=100 HG LEU 103 - HG12 ILE 37 OK 43 92 - 47 - 1117/2.1=7, 2.1/1102=6...(18) HG LEU 123 - HG12 ILE 37 OK 39 87 - 45 - 3.0/10916=8, 1117/2.1=6...(15) Peak 1102 from cnoeabs.peaks (0.78, 1.28, 27.60 ppm; 3.15 A): 2 out of 6 assignments used, quality = 1.00: * QD1 ILE 37 + HG12 ILE 37 OK 100 100 - 100 - 2.1=100 QD1 LEU 103 + HG12 ILE 37 OK 58 98 - 59 - 3400/1.8=13, 2.1/1101=9...(18) QD1 ILE 32 - HG12 ILE 37 OK 36 99 - 36 - 2.1/10914=8, ~10917=6...(12) QG1 VAL 63 - HG12 ILE 37 OK 16 96 - 17 - 11015/1.8=3, 1094/3.2=2...(8) QD1 LEU 96 - HG12 ILE 37 OK 14 81 - 18 - ~10911=5, ~3089=2...(8) QD2 LEU 122 - HG12 ILE 37 lone 7 73 - 9 - 1110/1.8=1, ~10913=1 Peak 1103 from cnoeabs.peaks (7.98, 1.28, 27.60 ppm; 3.62 A): 4 out of 4 assignments used, quality = 0.94: * H SER 38 + HG12 ILE 37 OK 87 100 - 87 - 6422/2.9=21, 1111/1.8=21...(15) H SER 51 + HG12 ILE 37 OK 42 99 - 42 - 1119/2.1=10, 1111/1.8=10...(11) H SER 94 + HG12 ILE 37 OK 14 57 - 25 - 11917/3.2=6, 1087/2.9=3...(9) H THR 18 + HG12 ILE 37 OK 12 65 - 18 - ~10920=6, 1111/1.8=3...(7) Peak 1104 from cnoeabs.peaks (7.97, 1.56, 27.60 ppm; 3.41 A): 3 out of 3 assignments used, quality = 0.90: * H ILE 37 + HG13 ILE 37 OK 84 100 - 84 - 5.0=32, 6415/1.8=30...(10) H THR 18 + HG13 ILE 37 OK 26 87 - 30 - 1096/1.8=7, 1112/2.1=6...(6) H ASP 64 + HG13 ILE 37 OK 15 73 - 20 - 1112/2.1=5, 1096/1.8=4...(7) Peak 1105 from cnoeabs.peaks (4.02, 1.56, 27.60 ppm; 3.91 A): 3 out of 7 assignments used, quality = 1.00: * HA ILE 37 + HG13 ILE 37 OK 99 100 - 99 - 4.0=95, 2.9/1104=23...(20) HA LEU 103 + HG13 ILE 37 OK 69 96 - 72 - 3366=16, 3.0/3375=12...(17) HB2 SER 38 + HG13 ILE 37 OK 64 87 - 74 - 3.9/1111=14, ~9016=14...(16) HA LEU 119 - HG13 ILE 37 OK 29 92 - 32 - 3760/3.2=7, 1097/1.8=4...(9) HA LYS 95 - HG13 ILE 37 OK 11 100 - 11 - 1113/2.1=2, 1089/3.2=2...(5) HB3 SER 124 - HG13 ILE 37 poor 7 65 - 11 - 4.0/7765=3, 10373/2.1=2, ~9004=1 HA ARG 135 - HG13 ILE 37 lone 5 98 - 5 - Peak 1106 from cnoeabs.peaks (1.97, 1.56, 27.60 ppm; 3.52 A): 1 out of 2 assignments used, quality = 1.00: * HB ILE 37 + HG13 ILE 37 OK 100 100 - 100 - 2.9=100 HB2 GLN 27 - HG13 ILE 37 OK 41 98 - 42 - 1098/1.8=11, 1114/2.1=10...(12) Peak 1107 from cnoeabs.peaks (0.94, 1.56, 27.60 ppm; 3.42 A): 2 out of 3 assignments used, quality = 1.00: * QG2 ILE 37 + HG13 ILE 37 OK 100 100 - 100 - 3.2=100 QD1 LEU 123 + HG13 ILE 37 OK 47 73 - 65 - ~10916=10, 1099/1.8=10...(21) QD1 LEU 119 - HG13 ILE 37 OK 26 87 - 30 - 1099/1.8=5, 1083/2.9=5...(10) Peak 1108 from cnoeabs.peaks (1.28, 1.56, 27.60 ppm; 2.74 A): 1 out of 2 assignments used, quality = 1.00: * HG12 ILE 37 + HG13 ILE 37 OK 100 100 - 100 - 1.8=100 HB3 LEU 43 - HG13 ILE 37 OK 22 87 - 26 - 1116/2.1=5, 1084/2.9=4...(10) Peak 1109 from cnoeabs.peaks (1.56, 1.56, 27.60 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 37 + HG13 ILE 37 OK 100 100 - 100 Peak 1110 from cnoeabs.peaks (0.78, 1.56, 27.60 ppm; 3.12 A): 2 out of 6 assignments used, quality = 1.00: * QD1 ILE 37 + HG13 ILE 37 OK 100 100 - 100 - 2.1=100 QD1 LEU 103 + HG13 ILE 37 OK 65 98 - 67 - 3400=15, 2.1/3408=9...(20) QD1 ILE 32 - HG13 ILE 37 OK 36 99 - 36 - 2.1/10917=9, ~10914=6...(11) QG1 VAL 63 - HG13 ILE 37 OK 19 96 - 20 - 1102/1.8=2, 11015=2...(9) QD1 LEU 96 - HG13 ILE 37 OK 14 81 - 18 - ~10911=5, ~3089=2...(8) QD2 LEU 122 - HG13 ILE 37 poor 9 73 - 12 - 3.1/3384=1, ~10913=1 Peak 1111 from cnoeabs.peaks (7.98, 1.56, 27.60 ppm; 3.60 A): 4 out of 4 assignments used, quality = 0.92: * H SER 38 + HG13 ILE 37 OK 84 100 - 84 - 6422/2.9=21, 1103/1.8=20...(14) H SER 51 + HG13 ILE 37 OK 39 99 - 39 - 1103/1.8=10, 1119/2.1=10...(8) H SER 94 + HG13 ILE 37 OK 13 57 - 23 - 11917/3.2=6, 1103/1.8=3...(8) H THR 18 + HG13 ILE 37 OK 12 65 - 18 - ~10920=6, 1103/1.8=3...(7) Peak 1112 from cnoeabs.peaks (7.97, 0.78, 12.10 ppm; 3.52 A): 3 out of 3 assignments used, quality = 0.92: * H ILE 37 + QD1 ILE 37 OK 87 100 - 87 - 4.9=38, 6415/2.1=29...(12) H THR 18 + QD1 ILE 37 OK 28 87 - 32 - 1104/2.1=7, 1096/2.1=7...(6) H ASP 64 + QD1 ILE 37 OK 20 73 - 27 - 1104/2.1=4, 1096/2.1=4...(12) Peak 1113 from cnoeabs.peaks (4.02, 0.78, 12.10 ppm; 3.59 A): 3 out of 7 assignments used, quality = 0.99: * HA ILE 37 + QD1 ILE 37 OK 94 100 - 94 - 4.2=64, 3.2/1115=21...(17) HA LEU 103 + QD1 ILE 37 OK 59 96 - 62 - 3366/2.1=11, 3367=10...(16) HB2 SER 38 + QD1 ILE 37 OK 56 87 - 65 - 3.9/1119=11, ~9016=10...(14) HA LEU 119 - QD1 ILE 37 OK 24 92 - 26 - 3760/3.0=6, 1097/2.1=3...(9) HA LYS 95 - QD1 ILE 37 OK 12 100 - 12 - 3.6/7329=2, 1089/3.0=2...(5) HB3 SER 124 - QD1 ILE 37 lone 5 65 - 7 - 10373=2 HA ARG 135 - QD1 ILE 37 lone 4 98 - 4 - Peak 1114 from cnoeabs.peaks (1.97, 0.78, 12.10 ppm; 3.27 A): 1 out of 2 assignments used, quality = 1.00: * HB ILE 37 + QD1 ILE 37 OK 100 100 - 100 - 3.2=100 HB2 GLN 27 - QD1 ILE 37 OK 37 98 - 37 - 1106/2.1=9, 1098/2.1=9...(12) Peak 1115 from cnoeabs.peaks (0.94, 0.78, 12.10 ppm; 2.83 A): 3 out of 3 assignments used, quality = 0.95: * QG2 ILE 37 + QD1 ILE 37 OK 90 100 - 90 - 3.0=80, 1092/2.1=19...(15) QD1 LEU 123 + QD1 ILE 37 OK 33 73 - 46 - 3.2/11571=7, 1107/2.1=6...(16) QD1 LEU 119 + QD1 ILE 37 OK 18 87 - 21 - 1099/2.1=3, 1107/2.1=3...(10) Peak 1116 from cnoeabs.peaks (1.28, 0.78, 12.10 ppm; 2.92 A): 1 out of 2 assignments used, quality = 1.00: * HG12 ILE 37 + QD1 ILE 37 OK 100 100 - 100 - 2.1=100 HB3 LEU 43 - QD1 ILE 37 OK 25 87 - 28 - 1108/2.1=6, 1092/3.0=5...(10) Peak 1117 from cnoeabs.peaks (1.56, 0.78, 12.10 ppm; 3.07 A): 3 out of 3 assignments used, quality = 1.00: * HG13 ILE 37 + QD1 ILE 37 OK 100 100 - 100 - 2.1=100 HG LEU 103 + QD1 ILE 37 OK 56 92 - 61 - 3393=9, 1101/2.1=8...(20) HG LEU 123 + QD1 ILE 37 OK 46 87 - 53 - 3.0/11571=9, 2.1/1115=8...(18) Peak 1118 from cnoeabs.peaks (0.78, 0.78, 12.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 37 + QD1 ILE 37 OK 100 100 - 100 Peak 1119 from cnoeabs.peaks (7.98, 0.78, 12.10 ppm; 3.60 A): 4 out of 4 assignments used, quality = 0.93: * H SER 38 + QD1 ILE 37 OK 84 100 - 84 - 6423/3.0=20, 6422/3.2=19...(14) H SER 51 + QD1 ILE 37 OK 45 99 - 45 - 1103/2.1=9, 1111/2.1=9...(12) H SER 94 + QD1 ILE 37 OK 15 57 - 25 - 11917/3.0=6, 1103/2.1=3...(9) H THR 18 + QD1 ILE 37 OK 12 65 - 18 - ~10920=5, 1111/2.1=3...(7) Peak 1120 from cnoeabs.peaks (7.98, 4.54, 58.15 ppm; 4.52 A): 1 out of 4 assignments used, quality = 1.00: * H SER 38 + HA SER 38 OK 100 100 - 100 - 3.0=100 H SER 51 - HA SER 38 OK 38 99 - 39 - 1130/3.0=8, 1125/3.0=7...(13) H SER 94 - HA SER 38 poor 8 57 - 14 - 11917/9015=2, 1125/3.0=2...(5) H THR 18 - HA SER 38 lone 5 65 - 7 - ~222=1, 1130/3.0=1 Peak 1121 from cnoeabs.peaks (4.54, 4.54, 58.15 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 38 + HA SER 38 OK 100 100 - 100 Peak 1122 from cnoeabs.peaks (4.01, 4.54, 58.15 ppm; 3.89 A): 2 out of 7 assignments used, quality = 1.00: * HB2 SER 38 + HA SER 38 OK 100 100 - 100 - 3.0=100 HA ILE 37 + HA SER 38 OK 71 87 - 82 - 1079/3.0=17, 2.9/9012=17...(19) HA LEU 103 - HA SER 38 OK 14 99 - 14 - 6428/3.0=3, 1132/3.0=2...(6) HA ARG 135 - HA SER 38 lone 9 98 - 9 - 1132/3.0=2, 6434/3.6=2...(4) HB3 SER 99 - HA SER 38 poor 8 65 - 13 - 3.0/1123=3, ~3210=2...(7) HA LYS 95 - HA SER 38 lone 8 92 - 9 - 1132/3.0=2, 6434/3.6=1...(4) HA SER 60 - HA SER 38 lone 2 92 - 2 - Peak 1123 from cnoeabs.peaks (4.22, 4.54, 58.15 ppm; 3.80 A): 1 out of 8 assignments used, quality = 1.00: * HB3 SER 38 + HA SER 38 OK 100 100 - 100 - 3.0=100 HA ALA 34 - HA SER 38 OK 44 99 - 45 - 10869/3.0=19, ~10878=8...(10) HA SER 51 - HA SER 38 OK 20 87 - 23 - 3.0/1120=6, 1608/3.0=4...(10) HA SER 99 - HA SER 38 OK 19 92 - 20 - ~9029=4, 1128/3.0=3...(10) HA HIS 67 - HA SER 38 lone 8 92 - 8 - 6435/3.6=4, 1128/3.0=1 HA SER 94 - HA SER 38 lone 3 57 - 6 - 2.9/1120=1 HA GLU 30 - HA SER 38 lone 2 98 - 2 - HA ALA 29 - HA SER 38 lone 2 87 - 2 - Peak 1124 from cnoeabs.peaks (8.69, 4.54, 58.15 ppm; 3.94 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 39 + HA SER 38 OK 100 100 - 100 - 3.6=100 H PHE 89 - HA SER 38 OK 13 100 - 12 - 1134/3.0=3, 1129/3.0=3...(5) H HIS 7 - HA SER 38 lone 2 73 - 2 - Peak 1125 from cnoeabs.peaks (7.98, 4.01, 64.43 ppm; 3.97 A): 1 out of 4 assignments used, quality = 1.00: * H SER 38 + HB2 SER 38 OK 100 100 - 100 - 3.9=100 H SER 51 - HB2 SER 38 OK 25 99 - 25 - 1130/1.8=8, 1120/3.0=6...(6) H SER 94 - HB2 SER 38 lone 6 57 - 10 - 3.4/7298=2, 1130/1.8=2 H THR 18 - HB2 SER 38 lone 3 65 - 4 - 1130/1.8=1 Peak 1126 from cnoeabs.peaks (4.54, 4.01, 64.43 ppm; 3.52 A): 1 out of 1 assignment used, quality = 1.00: * HA SER 38 + HB2 SER 38 OK 100 100 - 100 - 3.0=100 Peak 1127 from cnoeabs.peaks (4.01, 4.01, 64.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 38 + HB2 SER 38 OK 100 100 - 100 Peak 1128 from cnoeabs.peaks (4.22, 4.01, 64.43 ppm; 3.06 A): 1 out of 8 assignments used, quality = 1.00: * HB3 SER 38 + HB2 SER 38 OK 100 100 - 100 - 1.8=100 HA ALA 34 - HB2 SER 38 OK 20 99 - 20 - 10869/3.9=9, 1123/3.0=4...(6) HA SER 51 - HB2 SER 38 OK 13 87 - 14 - 3.0/1125=3, ~1130=2...(6) HA SER 99 - HB2 SER 38 OK 12 92 - 13 - 2.9/7371=3, 1123/3.0=2...(7) HA HIS 67 - HB2 SER 38 lone 5 92 - 5 - 6435/4.6=2 HA SER 94 - HB2 SER 38 lone 3 57 - 5 - 3.6/7298=1 HA GLU 30 - HB2 SER 38 lone 2 98 - 2 - HA ALA 29 - HB2 SER 38 lone 2 87 - 2 - Peak 1129 from cnoeabs.peaks (8.69, 4.01, 64.43 ppm; 4.30 A): 2 out of 3 assignments used, quality = 0.92: * H LYS 39 + HB2 SER 38 OK 91 100 - 91 - 4.6=80, 1134/1.8=34...(6) H PHE 89 + HB2 SER 38 OK 12 100 - 12 - 1134/1.8=5, 1124/3.0=4 H HIS 7 - HB2 SER 38 lone 2 73 - 2 - Peak 1130 from cnoeabs.peaks (7.98, 4.22, 64.43 ppm; 3.92 A): 1 out of 4 assignments used, quality = 0.99: * H SER 38 + HB3 SER 38 OK 99 100 - 99 - 3.9=98, 6428/1.8=17...(8) H SER 51 - HB3 SER 38 OK 30 99 - 30 - 1125/1.8=7, 1120/3.0=6...(10) H SER 94 - HB3 SER 38 lone 6 57 - 10 - ~7298=2, 1125/1.8=2, 1120/3.0=1 H THR 18 - HB3 SER 38 lone 4 65 - 6 - 4.0/9042=2 Peak 1131 from cnoeabs.peaks (4.54, 4.22, 64.43 ppm; 3.47 A): 1 out of 1 assignment used, quality = 1.00: * HA SER 38 + HB3 SER 38 OK 100 100 - 100 - 3.0=100 Peak 1132 from cnoeabs.peaks (4.01, 4.22, 64.43 ppm; 3.04 A): 1 out of 7 assignments used, quality = 1.00: * HB2 SER 38 + HB3 SER 38 OK 100 100 - 100 - 1.8=100 HA ILE 37 - HB3 SER 38 OK 38 87 - 43 - 3.6/1130=11, 3.2/9050=7...(12) HA LEU 103 - HB3 SER 38 OK 10 99 - 10 - 3.6/9033=2, 6428/3.9=2...(4) HA ARG 135 - HB3 SER 38 lone 9 98 - 9 - 4.2/9046=3, ~4313=1, ~4321=1 HA LYS 95 - HB3 SER 38 lone 7 92 - 8 - 3.6/10921=3, ~7298=1 HB3 SER 99 - HB3 SER 38 poor 7 65 - 11 - 1.8/3210=2, 3.7/7382=2...(5) HA SER 60 - HB3 SER 38 lone 2 92 - 2 - Peak 1133 from cnoeabs.peaks (4.22, 4.22, 64.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 38 + HB3 SER 38 OK 100 100 - 100 Peak 1134 from cnoeabs.peaks (8.69, 4.22, 64.43 ppm; 4.22 A): 2 out of 3 assignments used, quality = 0.90: * H LYS 39 + HB3 SER 38 OK 89 100 - 89 - 4.6=75, 1129/1.8=32...(5) H PHE 89 + HB3 SER 38 OK 12 100 - 12 - 1129/1.8=4, 1124/3.0=4 H HIS 7 - HB3 SER 38 lone 2 73 - 2 - Peak 1135 from cnoeabs.peaks (8.69, 3.40, 59.82 ppm; 4.56 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 39 + HA LYS 39 OK 100 100 - 100 - 2.8=100 H PHE 89 - HA LYS 39 OK 42 100 - 42 - 9867/4.0=10, 1160/3.0=10...(8) H HIS 7 - HA LYS 39 lone 3 73 - 3 - Peak 1136 from cnoeabs.peaks (3.40, 3.40, 59.82 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 39 + HA LYS 39 OK 100 100 - 100 Peak 1137 from cnoeabs.peaks (1.76, 3.40, 59.82 ppm; 4.54 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LYS 39 + HA LYS 39 OK 100 100 - 100 - 3.0=100 HB2 ARG 23 - HA LYS 39 OK 42 87 - 48 - 1162/3.0=10, 6437/2.8=9...(13) Peak 1138 from cnoeabs.peaks (2.08, 3.40, 59.82 ppm; 4.51 A): 2 out of 6 assignments used, quality = 1.00: * HB3 LYS 39 + HA LYS 39 OK 100 100 - 100 - 3.0=100 HG3 GLN 134 + HA LYS 39 OK 46 98 - 47 - 10601/10578=6...(16) HB2 GLU 128 - HA LYS 39 OK 42 99 - 42 - 11623/10578=8...(14) HB3 GLU 44 - HA LYS 39 OK 31 100 - 31 - 1152/3.0=5, 1185/4.0=4...(13) HB2 GLU 102 - HA LYS 39 OK 19 98 - 19 - 1152/3.0=3, 6438/2.8=3...(8) HG3 PRO 58 - HA LYS 39 OK 11 81 - 13 - 1152/3.0=2, 1185/4.0=1...(8) Peak 1139 from cnoeabs.peaks (1.13, 3.40, 59.82 ppm; 4.14 A): 3 out of 4 assignments used, quality = 1.00: * HG2 LYS 39 + HA LYS 39 OK 100 100 - 100 - 4.0=100 QG1 VAL 132 + HA LYS 39 OK 52 96 - 54 - ~10551=8, 1164/3.0=7...(15) QG2 VAL 132 + HA LYS 39 OK 50 96 - 53 - 10551/2.8=13, 1164/3.0=7...(14) QG2 THR 115 - HA LYS 39 OK 15 100 - 14 - 1164/3.0=2, 1153/3.0=2...(7) Peak 1140 from cnoeabs.peaks (1.16, 3.40, 59.82 ppm; 4.19 A): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 39 + HA LYS 39 OK 100 100 - 100 - 4.0=100 HG12 ILE 32 + HA LYS 39 OK 46 87 - 52 - 1154/3.0=11, 1165/3.0=11...(9) Peak 1141 from cnoeabs.peaks (1.68, 3.40, 59.82 ppm; 4.94 A): 1 out of 4 assignments used, quality = 0.99: * HD2 LYS 39 + HA LYS 39 OK 99 100 - 99 - 5.3=82, 1195/3.0=37...(24) HD3 LYS 36 - HA LYS 39 OK 32 73 - 43 - 1155/3.0=6, 1166/3.0=6...(13) HD2 LYS 36 - HA LYS 39 OK 32 73 - 43 - 1155/3.0=6, 1166/3.0=6...(13) HB2 LEU 69 - HA LYS 39 OK 16 65 - 24 - 1188/4.0=3, 1177/4.0=3...(10) Peak 1142 from cnoeabs.peaks (1.71, 3.40, 59.82 ppm; 4.84 A): 2 out of 6 assignments used, quality = 0.99: * HD3 LYS 39 + HA LYS 39 OK 99 100 - 99 - 5.3=77, 1206/3.0=37...(23) HG2 ARG 135 + HA LYS 39 OK 49 98 - 51 - 6455/3.6=10, 11689/4.0=8...(12) HB3 LEU 70 - HA LYS 39 OK 42 100 - 42 - 1167/3.0=6, 1156/3.0=6...(13) HB2 LEU 70 - HA LYS 39 OK 42 99 - 42 - 1167/3.0=6, 1156/3.0=6...(13) HG LEU 48 - HA LYS 39 OK 14 100 - 13 - 6455/3.6=2, 6442/2.8=2...(6) HG LEU 98 - HA LYS 39 OK 12 96 - 12 - 6442/2.8=2, 6455/3.6=2...(7) Peak 1143 from cnoeabs.peaks (2.93, 3.40, 59.82 ppm; 6.30 A): 2 out of 5 assignments used, quality = 1.00: * HE2 LYS 39 + HA LYS 39 OK 100 100 - 100 - 5.9=100 HE3 LYS 39 + HA LYS 39 OK 96 96 - 100 - 5.9=100 HD2 ARG 135 - HA LYS 39 OK 41 81 - 51 - 3.0/1142=9, 1190/4.0=8...(9) HB3 ASN 116 - HA LYS 39 lone 8 99 - 8 - 1179/4.0=2, 1191/4.0=1 HG CYS 73 - HA LYS 39 lone 5 92 - 5 - Peak 1144 from cnoeabs.peaks (2.93, 3.40, 59.82 ppm; 6.30 A): 2 out of 4 assignments used, quality = 1.00: * HE3 LYS 39 + HA LYS 39 OK 100 100 - 100 - 5.9=100 HE2 LYS 39 + HA LYS 39 OK 96 96 - 100 - 5.9=100 HB3 ASN 116 - HA LYS 39 lone 7 87 - 8 - 1180/4.0=2, 1191/4.0=1...(4) HG CYS 73 - HA LYS 39 lone 3 65 - 5 - Peak 1145 from cnoeabs.peaks (8.28, 3.40, 59.82 ppm; 4.99 A): 2 out of 5 assignments used, quality = 1.00: * H GLU 40 + HA LYS 39 OK 100 100 - 100 - 3.6=100 H LEU 43 + HA LYS 39 OK 62 81 - 77 - 3.9/6479=28, 6494=24...(14) H LEU 96 - HA LYS 39 OK 33 87 - 38 - 6445/2.8=6, 1159/3.0=6...(12) H ASP 131 - HA LYS 39 OK 12 57 - 21 - 11665/10578=3...(10) H VAL 126 - HA LYS 39 poor 8 57 - 13 - 1244/4.9=2, 6491/6479=2...(4) Peak 1146 from cnoeabs.peaks (7.49, 3.40, 59.82 ppm; 5.67 A): 2 out of 3 assignments used, quality = 0.93: * H LEU 42 + HA LYS 39 OK 87 100 - 87 - 6479=47, 3.9/6494=30...(9) H GLN 134 + HA LYS 39 OK 47 100 - 47 - 4.3/9053=27, 4.9/1138=6...(8) HE22 GLN 127 - HA LYS 39 lone 2 65 - 3 - Peak 1147 from cnoeabs.peaks (1.38, 3.40, 59.82 ppm; 5.44 A): 4 out of 13 assignments used, quality = 0.84: * HB2 LEU 42 + HA LYS 39 OK 69 100 - 69 - 1.8/1148=34, 4.0/6479=32...(5) HG2 LYS 36 + HA LYS 39 OK 26 99 - 26 - 3.0/1141=7, 3.0/1141=7...(5) HB2 LEU 96 + HA LYS 39 OK 19 99 - 19 - 3066/3.6=7, 3.8/1145=5...(5) QB ALA 28 + HA LYS 39 OK 13 92 - 14 - ~10770=11 HB3 LEU 100 - HA LYS 39 lone 5 100 - 5 - 6500/6494=1 HG3 LYS 95 - HA LYS 39 lone 4 81 - 5 - 3009/3.6=2 QB ALA 29 - HA LYS 39 lone 3 99 - 3 - HG2 LYS 24 - HA LYS 39 lone 3 100 - 3 - QB ALA 15 - HA LYS 39 lone 3 96 - 3 - HG2 LYS 95 - HA LYS 39 lone 3 65 - 4 - 3009/3.6=1 HG3 LYS 26 - HA LYS 39 lone 3 98 - 3 - QB ALA 110 - HA LYS 39 lone 2 96 - 2 - QB ALA 108 - HA LYS 39 lone 2 87 - 2 - Peak 1148 from cnoeabs.peaks (1.54, 3.40, 59.82 ppm; 5.17 A): 1 out of 3 assignments used, quality = 0.58: * HB3 LEU 42 + HA LYS 39 OK 58 100 - 58 - 4.0/6479=29, 4.6/6494=22...(5) HB2 LEU 22 - HA LYS 39 lone 10 100 - 10 - 381/10578=3, 6487/6479=2...(4) HB2 LEU 119 - HA LYS 39 lone 7 100 - 7 - 6487/6479=2, 6501/6494=2 Peak 1149 from cnoeabs.peaks (8.69, 1.76, 32.42 ppm; 5.03 A): 2 out of 3 assignments used, quality = 1.00: * H LYS 39 + HB2 LYS 39 OK 100 100 - 100 - 3.9=100 H PHE 89 + HB2 LYS 39 OK 53 100 - 53 - 1160/1.8=14, 9867/2.9=13...(8) H HIS 7 - HB2 LYS 39 lone 4 73 - 5 - Peak 1150 from cnoeabs.peaks (3.40, 1.76, 32.42 ppm; 5.41 A): 2 out of 2 assignments used, quality = 1.00: * HA LYS 39 + HB2 LYS 39 OK 100 100 - 100 - 3.0=100 HB3 HIS 67 + HB2 LYS 39 OK 72 99 - 72 - 1161/1.8=18, 1172/2.9=15...(12) Peak 1151 from cnoeabs.peaks (1.76, 1.76, 32.42 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 39 + HB2 LYS 39 OK 100 100 - 100 Peak 1152 from cnoeabs.peaks (2.08, 1.76, 32.42 ppm; 3.61 A): 1 out of 6 assignments used, quality = 1.00: * HB3 LYS 39 + HB2 LYS 39 OK 100 100 - 100 - 1.8=100 HB2 GLU 128 - HB2 LYS 39 OK 33 99 - 33 - ~11627=4, 1174/2.9=4...(13) HG3 GLN 134 - HB2 LYS 39 OK 30 98 - 31 - 10602/4.9=4, 1138/3.0=4...(13) HB3 GLU 44 - HB2 LYS 39 OK 27 100 - 27 - ~10949=4, 1174/2.9=3...(14) HB2 GLU 102 - HB2 LYS 39 OK 15 98 - 15 - 3332/10023=2, 1174/2.9=2...(8) HG3 PRO 58 - HB2 LYS 39 poor 9 81 - 10 - ~1852=1 Peak 1153 from cnoeabs.peaks (1.13, 1.76, 32.42 ppm; 4.48 A): 3 out of 4 assignments used, quality = 1.00: * HG2 LYS 39 + HB2 LYS 39 OK 100 100 - 100 - 2.9=100 QG2 VAL 132 + HB2 LYS 39 OK 62 96 - 65 - 10551/3.9=11...(17) QG1 VAL 132 + HB2 LYS 39 OK 60 96 - 63 - 1164/1.8=10, 1186/2.9=10...(16) QG2 THR 115 - HB2 LYS 39 OK 20 100 - 20 - 1164/1.8=3, 1186/2.9=3...(9) Peak 1154 from cnoeabs.peaks (1.16, 1.76, 32.42 ppm; 4.18 A): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 39 + HB2 LYS 39 OK 100 100 - 100 - 2.9=100 HG12 ILE 32 + HB2 LYS 39 OK 58 87 - 66 - 1165/1.8=14, 1176/2.9=13...(14) Peak 1155 from cnoeabs.peaks (1.68, 1.76, 32.42 ppm; 3.41 A): 1 out of 4 assignments used, quality = 0.96: * HD2 LYS 39 + HB2 LYS 39 OK 96 100 - 96 - 3.6=85, 1.8/1206=32...(19) HD3 LYS 36 - HB2 LYS 39 OK 19 73 - 26 - 1188/2.9=3, 1177/2.9=3...(12) HD2 LYS 36 - HB2 LYS 39 OK 19 73 - 26 - 1188/2.9=3, 1177/2.9=3...(12) HB2 LEU 69 - HB2 LYS 39 poor 9 65 - 14 - 1188/2.9=2, 1177/2.9=2...(8) Peak 1156 from cnoeabs.peaks (1.71, 1.76, 32.42 ppm; 2.50 A): 4 out of 6 assignments used, quality = 0.77: * HD3 LYS 39 + HB2 LYS 39 OK 63 100 - 63 - 3.6=33, 1.8/1195=18...(16) HG2 ARG 135 + HB2 LYS 39 OK 17 98 - 18 - 1178/2.9=2, 1167/1.8=2...(9) HB3 LEU 70 + HB2 LYS 39 OK 13 100 - 13 - 1167/1.8=2, 1178/2.9=2...(6) HB2 LEU 70 + HB2 LYS 39 OK 13 99 - 13 - 1167/1.8=2, 1178/2.9=2...(6) HG LEU 48 - HB2 LYS 39 lone 4 100 - 3 - HG LEU 98 - HB2 LYS 39 lone 3 96 - 3 - Peak 1157 from cnoeabs.peaks (2.93, 1.76, 32.42 ppm; 4.32 A): 2 out of 5 assignments used, quality = 1.00: * HE2 LYS 39 + HB2 LYS 39 OK 97 100 - 98 - 4.9=69, 2.9/1195=34...(21) HE3 LYS 39 + HB2 LYS 39 OK 93 96 - 97 - 4.9=69, 2.9/1195=34...(21) HD2 ARG 135 - HB2 LYS 39 OK 37 81 - 46 - 3.0/1156=7, 1212/3.6=6...(13) HB3 ASN 116 - HB2 LYS 39 lone 5 99 - 5 - 1179/2.9=1 HG CYS 73 - HB2 LYS 39 lone 3 92 - 3 - Peak 1158 from cnoeabs.peaks (2.93, 1.76, 32.42 ppm; 4.32 A): 2 out of 4 assignments used, quality = 1.00: * HE3 LYS 39 + HB2 LYS 39 OK 98 100 - 98 - 4.9=69, 2.9/1195=34...(21) HE2 LYS 39 + HB2 LYS 39 OK 93 96 - 97 - 4.9=69, 2.9/1195=34...(21) HB3 ASN 116 - HB2 LYS 39 lone 4 87 - 5 - 1180/2.9=1 HG CYS 73 - HB2 LYS 39 lone 2 65 - 3 - Peak 1159 from cnoeabs.peaks (8.28, 1.76, 32.42 ppm; 3.85 A): 3 out of 5 assignments used, quality = 0.92: * H GLU 40 + HB2 LYS 39 OK 87 100 - 87 - 4.7=57, 6451/1.8=21...(11) H LEU 43 + HB2 LYS 39 OK 23 81 - 28 - 6494/3.0=10, 1170/1.8=4...(9) H LEU 96 + HB2 LYS 39 OK 18 87 - 21 - 1170/1.8=3, 6445/3.9=3...(10) H ASP 131 - HB2 LYS 39 poor 8 57 - 14 - 10563/11671=3...(7) H VAL 126 - HB2 LYS 39 lone 3 57 - 5 - Peak 1160 from cnoeabs.peaks (8.69, 2.08, 32.42 ppm; 4.61 A): 2 out of 3 assignments used, quality = 1.00: * H LYS 39 + HB3 LYS 39 OK 100 100 - 100 - 3.9=100 H PHE 89 + HB3 LYS 39 OK 46 100 - 47 - 9867/2.9=12, 1149/1.8=11...(8) H HIS 7 - HB3 LYS 39 lone 3 73 - 4 - Peak 1161 from cnoeabs.peaks (3.40, 2.08, 32.42 ppm; 5.21 A): 2 out of 2 assignments used, quality = 1.00: * HA LYS 39 + HB3 LYS 39 OK 100 100 - 100 - 3.0=100 HB3 HIS 67 + HB3 LYS 39 OK 69 99 - 70 - 1150/1.8=16, 1172/2.9=14...(11) Peak 1162 from cnoeabs.peaks (1.76, 2.08, 32.42 ppm; 3.48 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LYS 39 + HB3 LYS 39 OK 100 100 - 100 - 1.8=100 HB2 ARG 23 - HB3 LYS 39 OK 32 87 - 36 - 1173/2.9=6, 1184/2.9=6...(12) Peak 1163 from cnoeabs.peaks (2.08, 2.08, 32.42 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 39 + HB3 LYS 39 OK 100 100 - 100 Peak 1164 from cnoeabs.peaks (1.13, 2.08, 32.42 ppm; 4.28 A): 3 out of 4 assignments used, quality = 1.00: * HG2 LYS 39 + HB3 LYS 39 OK 100 100 - 100 - 2.9=100 QG2 VAL 132 + HB3 LYS 39 OK 60 96 - 63 - 10551/3.9=11, 1153/1.8=9...(18) QG1 VAL 132 + HB3 LYS 39 OK 58 96 - 61 - 1186/2.9=9, 1153/1.8=9...(17) QG2 THR 115 - HB3 LYS 39 OK 19 100 - 18 - 1153/1.8=3, 1186/2.9=2...(8) Peak 1165 from cnoeabs.peaks (1.16, 2.08, 32.42 ppm; 4.32 A): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 39 + HB3 LYS 39 OK 100 100 - 100 - 2.9=100 HG12 ILE 32 + HB3 LYS 39 OK 59 87 - 68 - 1154/1.8=15, 1176/2.9=13...(13) Peak 1166 from cnoeabs.peaks (1.68, 2.08, 32.42 ppm; 5.22 A): 1 out of 4 assignments used, quality = 1.00: * HD2 LYS 39 + HB3 LYS 39 OK 100 100 - 100 - 3.6=100 HD3 LYS 36 - HB3 LYS 39 OK 37 73 - 50 - 1188/2.9=7, 1177/2.9=7...(14) HD2 LYS 36 - HB3 LYS 39 OK 37 73 - 50 - 1188/2.9=7, 1177/2.9=7...(14) HB2 LEU 69 - HB3 LYS 39 OK 19 65 - 29 - 3.2/11069=6, 1188/2.9=4...(10) Peak 1167 from cnoeabs.peaks (1.71, 2.08, 32.42 ppm; 4.02 A): 2 out of 6 assignments used, quality = 1.00: * HD3 LYS 39 + HB3 LYS 39 OK 100 100 - 100 - 3.6=100 HG2 ARG 135 + HB3 LYS 39 OK 46 98 - 47 - 1156/1.8=8, 11689/2.9=7...(15) HB3 LEU 70 - HB3 LYS 39 OK 36 100 - 36 - 1156/1.8=6, 1178/2.9=5...(13) HB2 LEU 70 - HB3 LYS 39 OK 36 99 - 36 - 1156/1.8=6, 1178/2.9=5...(13) HG LEU 48 - HB3 LYS 39 OK 11 100 - 10 - 1156/1.8=2, 1178/2.9=1...(7) HG LEU 98 - HB3 LYS 39 lone 9 96 - 9 - 1156/1.8=1, 1178/2.9=1...(4) Peak 1170 from cnoeabs.peaks (8.28, 2.08, 32.42 ppm; 5.09 A): 1 out of 5 assignments used, quality = 1.00: * H GLU 40 + HB3 LYS 39 OK 100 100 - 100 - 4.7=100 H LEU 43 - HB3 LYS 39 OK 40 81 - 49 - 6494/3.0=19, 1159/1.8=8...(10) H LEU 96 - HB3 LYS 39 OK 31 87 - 35 - 1159/1.8=7, 6445/3.9=5...(9) H ASP 131 - HB3 LYS 39 OK 14 57 - 25 - 3.8/10514=4, 1159/1.8=3...(11) H VAL 126 - HB3 LYS 39 poor 8 57 - 14 - 3.6/3986=2, 3.6/10360=1...(5) Peak 1172 from cnoeabs.peaks (3.40, 1.13, 24.15 ppm; 4.67 A): 2 out of 2 assignments used, quality = 1.00: * HA LYS 39 + HG2 LYS 39 OK 100 100 - 100 - 4.0=100 HB3 HIS 67 + HG2 LYS 39 OK 57 99 - 57 - 1161/2.9=11, 1205/3.0=11...(11) Peak 1173 from cnoeabs.peaks (1.76, 1.13, 24.15 ppm; 4.47 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LYS 39 + HG2 LYS 39 OK 100 100 - 100 - 2.9=100 HB2 ARG 23 - HG2 LYS 39 OK 45 87 - 51 - 1184/1.8=12, 1162/2.9=10...(13) Peak 1174 from cnoeabs.peaks (2.08, 1.13, 24.15 ppm; 4.64 A): 4 out of 6 assignments used, quality = 1.00: * HB3 LYS 39 + HG2 LYS 39 OK 100 100 - 100 - 2.9=100 HB2 GLU 128 + HG2 LYS 39 OK 51 99 - 51 - 3.0/11627=11, 1185/1.8=7...(15) HG3 GLN 134 + HG2 LYS 39 OK 47 98 - 48 - 10602/4.0=8, 10602/4.0=7...(14) HB3 GLU 44 + HG2 LYS 39 OK 45 100 - 45 - ~10949=9, ~9140=7...(14) HB2 GLU 102 - HG2 LYS 39 OK 23 98 - 23 - 1152/2.9=3, 1185/1.8=3...(11) HG3 PRO 58 - HG2 LYS 39 OK 13 81 - 15 - 1185/1.8=2, 1152/2.9=2...(10) Peak 1175 from cnoeabs.peaks (1.13, 1.13, 24.15 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 39 + HG2 LYS 39 OK 100 100 - 100 Peak 1176 from cnoeabs.peaks (1.16, 1.13, 24.15 ppm; 3.39 A): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 39 + HG2 LYS 39 OK 100 100 - 100 - 1.8=100 HG12 ILE 32 + HG2 LYS 39 OK 49 87 - 57 - 1198/3.0=9, 1209/3.0=9...(14) Peak 1177 from cnoeabs.peaks (1.68, 1.13, 24.15 ppm; 4.14 A): 1 out of 4 assignments used, quality = 1.00: * HD2 LYS 39 + HG2 LYS 39 OK 100 100 - 100 - 3.0=100 HD3 LYS 36 - HG2 LYS 39 OK 26 73 - 35 - 1188/1.8=6, 1155/2.9=5...(12) HD2 LYS 36 - HG2 LYS 39 OK 26 73 - 35 - 1188/1.8=6, 1155/2.9=5...(12) HB2 LEU 69 - HG2 LYS 39 OK 16 65 - 24 - 1188/1.8=4, 1210/3.0=3...(13) Peak 1178 from cnoeabs.peaks (1.71, 1.13, 24.15 ppm; 4.11 A): 2 out of 6 assignments used, quality = 1.00: * HD3 LYS 39 + HG2 LYS 39 OK 100 100 - 100 - 3.0=100 HG2 ARG 135 + HG2 LYS 39 OK 64 98 - 66 - 11689=9, 1189/1.8=8...(24) HB3 LEU 70 - HG2 LYS 39 OK 42 100 - 43 - 1189/1.8=6, 1156/2.9=5...(15) HB2 LEU 70 - HG2 LYS 39 OK 42 99 - 42 - 1189/1.8=6, 1156/2.9=5...(15) HG LEU 48 - HG2 LYS 39 OK 13 100 - 12 - 1189/1.8=2, 1167/2.9=1...(5) HG LEU 98 - HG2 LYS 39 OK 10 96 - 10 - 1189/1.8=1, 1156/2.9=1 Peak 1179 from cnoeabs.peaks (2.93, 1.13, 24.15 ppm; 4.63 A): 3 out of 5 assignments used, quality = 1.00: * HE2 LYS 39 + HG2 LYS 39 OK 100 100 - 100 - 4.0=100 HE3 LYS 39 + HG2 LYS 39 OK 96 96 - 100 - 4.0=100 HD2 ARG 135 + HG2 LYS 39 OK 50 81 - 63 - 1.8/10640=11...(17) HB3 ASN 116 - HG2 LYS 39 lone 9 99 - 9 - 4.0/7613=3 HG CYS 73 - HG2 LYS 39 lone 4 92 - 5 - Peak 1180 from cnoeabs.peaks (2.93, 1.13, 24.15 ppm; 4.63 A): 2 out of 4 assignments used, quality = 1.00: * HE3 LYS 39 + HG2 LYS 39 OK 100 100 - 100 - 4.0=100 HE2 LYS 39 + HG2 LYS 39 OK 96 96 - 100 - 4.0=100 HB3 ASN 116 - HG2 LYS 39 lone 8 87 - 9 - 4.0/7613=3, 1191/1.8=1 HG CYS 73 - HG2 LYS 39 lone 2 65 - 4 - Peak 1181 from cnoeabs.peaks (8.28, 1.13, 24.15 ppm; 6.78 A): 3 out of 5 assignments used, quality = 0.99: * H GLU 40 + HG2 LYS 39 OK 96 100 - 96 - 6450/2.9=42, 6454/3.0=38...(14) H LEU 43 + HG2 LYS 39 OK 55 81 - 69 - 6494/4.0=25, 1192/1.8=11...(12) H LEU 96 + HG2 LYS 39 OK 46 87 - 53 - 1192/1.8=8, 1214/3.0=8...(12) H ASP 131 - HG2 LYS 39 OK 22 57 - 38 - 3.8/11138=6, 1192/1.8=4...(16) H VAL 126 - HG2 LYS 39 OK 11 57 - 19 - 10400/10490=2, ~10406=2...(9) Peak 1183 from cnoeabs.peaks (3.40, 1.16, 24.15 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * HA LYS 39 + HG3 LYS 39 OK 100 100 - 100 - 4.0=100 HB3 HIS 67 + HG3 LYS 39 OK 80 99 - 81 - 1150/2.9=20, 1161/2.9=20...(11) Peak 1184 from cnoeabs.peaks (1.76, 1.16, 24.15 ppm; 4.79 A): 2 out of 2 assignments used, quality = 1.00: * HB2 LYS 39 + HG3 LYS 39 OK 100 100 - 100 - 2.9=100 HB2 ARG 23 + HG3 LYS 39 OK 49 87 - 56 - 1173/1.8=13, 1162/2.9=11...(13) Peak 1185 from cnoeabs.peaks (2.08, 1.16, 24.15 ppm; 4.79 A): 4 out of 6 assignments used, quality = 1.00: * HB3 LYS 39 + HG3 LYS 39 OK 100 100 - 100 - 2.9=100 HB2 GLU 128 + HG3 LYS 39 OK 52 99 - 53 - ~11627=12, 1174/1.8=8...(15) HB3 GLU 44 + HG3 LYS 39 OK 48 100 - 48 - 3.0/10949=12, ~9140=8...(15) HG3 GLN 134 + HG3 LYS 39 OK 46 98 - 47 - 10602/4.0=9, 10602/4.0=8...(14) HB2 GLU 102 - HG3 LYS 39 OK 21 98 - 22 - 1174/1.8=3, 1152/2.9=3...(9) HG3 PRO 58 - HG3 LYS 39 OK 14 81 - 16 - 1174/1.8=2, 1152/2.9=2...(10) Peak 1186 from cnoeabs.peaks (1.13, 1.16, 24.15 ppm; 3.69 A): 3 out of 4 assignments used, quality = 1.00: * HG2 LYS 39 + HG3 LYS 39 OK 100 100 - 100 - 1.8=100 QG1 VAL 132 + HG3 LYS 39 OK 56 96 - 59 - ~11661=11, 1208/3.0=7...(21) QG2 VAL 132 + HG3 LYS 39 OK 56 96 - 58 - ~11661=11, 1208/3.0=7...(20) QG2 THR 115 - HG3 LYS 39 OK 15 100 - 14 - 1164/2.9=2, 1153/2.9=2...(8) Peak 1187 from cnoeabs.peaks (1.16, 1.16, 24.15 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 39 + HG3 LYS 39 OK 100 100 - 100 Peak 1188 from cnoeabs.peaks (1.68, 1.16, 24.15 ppm; 4.21 A): 1 out of 4 assignments used, quality = 1.00: * HD2 LYS 39 + HG3 LYS 39 OK 100 100 - 100 - 3.0=100 HD3 LYS 36 - HG3 LYS 39 OK 28 73 - 38 - 1177/1.8=6, 1155/2.9=5...(13) HD2 LYS 36 - HG3 LYS 39 OK 28 73 - 38 - 1177/1.8=6, 1155/2.9=5...(13) HB2 LEU 69 - HG3 LYS 39 OK 17 65 - 26 - 1177/1.8=4, 1210/3.0=3...(14) Peak 1189 from cnoeabs.peaks (1.71, 1.16, 24.15 ppm; 4.27 A): 2 out of 6 assignments used, quality = 1.00: * HD3 LYS 39 + HG3 LYS 39 OK 100 100 - 100 - 3.0=100 HG2 ARG 135 + HG3 LYS 39 OK 61 98 - 62 - 1178/1.8=9, 1200/3.0=7...(21) HB3 LEU 70 - HG3 LYS 39 OK 45 100 - 45 - 1178/1.8=6, 1156/2.9=5...(15) HB2 LEU 70 - HG3 LYS 39 OK 44 99 - 45 - 1178/1.8=6, 1156/2.9=5...(15) HG LEU 48 - HG3 LYS 39 OK 13 100 - 13 - 1178/1.8=2, 1167/2.9=2...(6) HG LEU 98 - HG3 LYS 39 OK 10 96 - 10 - 1178/1.8=2, 1156/2.9=1...(5) Peak 1190 from cnoeabs.peaks (2.93, 1.16, 24.15 ppm; 4.92 A): 3 out of 5 assignments used, quality = 1.00: * HE2 LYS 39 + HG3 LYS 39 OK 100 100 - 100 - 4.0=100 HE3 LYS 39 + HG3 LYS 39 OK 96 96 - 100 - 4.0=100 HD2 ARG 135 + HG3 LYS 39 OK 52 81 - 65 - ~10640=9, 3.0/1189=9...(16) HB3 ASN 116 - HG3 LYS 39 lone 7 99 - 7 - 1179/1.8=2, 1212/3.0=1 HG CYS 73 - HG3 LYS 39 lone 4 92 - 4 - Peak 1191 from cnoeabs.peaks (2.93, 1.16, 24.15 ppm; 4.92 A): 2 out of 4 assignments used, quality = 1.00: * HE3 LYS 39 + HG3 LYS 39 OK 100 100 - 100 - 4.0=100 HE2 LYS 39 + HG3 LYS 39 OK 96 96 - 100 - 4.0=100 HB3 ASN 116 - HG3 LYS 39 lone 6 87 - 7 - 1180/1.8=2, 1213/3.0=1 HG CYS 73 - HG3 LYS 39 lone 2 65 - 4 - Peak 1192 from cnoeabs.peaks (8.28, 1.16, 24.15 ppm; 6.80 A): 2 out of 5 assignments used, quality = 0.98: * H GLU 40 + HG3 LYS 39 OK 95 100 - 95 - 6450/2.9=42, 6454/3.0=38...(16) H LEU 43 + HG3 LYS 39 OK 57 81 - 71 - 6494/4.0=26...(11) H LEU 96 - HG3 LYS 39 OK 44 87 - 51 - 1181/1.8=9, 1214/3.0=8...(10) H ASP 131 - HG3 LYS 39 OK 21 57 - 37 - ~7918=4, 1181/1.8=4...(16) H VAL 126 - HG3 LYS 39 OK 11 57 - 19 - 1330/10938=3, ~10406=2...(9) Peak 1193 from cnoeabs.peaks (8.69, 1.68, 29.80 ppm; 6.80 A): 2 out of 3 assignments used, quality = 1.00: * H LYS 39 + HD2 LYS 39 OK 100 100 - 100 - 5.5=100 H PHE 89 + HD2 LYS 39 OK 64 100 - 64 - 1204/1.8=17, 1149/3.6=15...(8) H HIS 7 - HD2 LYS 39 lone 5 73 - 7 - 1204/1.8=1, 1149/3.6=1 Peak 1194 from cnoeabs.peaks (3.40, 1.68, 29.80 ppm; 5.57 A): 2 out of 2 assignments used, quality = 1.00: * HA LYS 39 + HD2 LYS 39 OK 100 100 - 100 - 5.3=100 HB3 HIS 67 + HD2 LYS 39 OK 71 99 - 72 - 1205/1.8=18, 1172/3.0=15...(11) Peak 1195 from cnoeabs.peaks (1.76, 1.68, 29.80 ppm; 3.01 A): 2 out of 2 assignments used, quality = 0.88: * HB2 LYS 39 + HD2 LYS 39 OK 85 100 - 85 - 3.6=58, 1206/1.8=27...(17) HB2 ARG 23 + HD2 LYS 39 OK 23 87 - 26 - 1206/1.8=7, 1173/3.0=4...(8) Peak 1196 from cnoeabs.peaks (2.08, 1.68, 29.80 ppm; 4.38 A): 1 out of 6 assignments used, quality = 1.00: * HB3 LYS 39 + HD2 LYS 39 OK 100 100 - 100 - 3.6=100 HB3 GLU 44 - HD2 LYS 39 OK 38 100 - 38 - ~9140=8, 1207/1.8=6...(11) HB2 GLU 128 - HD2 LYS 39 OK 38 99 - 38 - ~11627=7, 1207/1.8=6...(11) HG3 GLN 134 - HD2 LYS 39 OK 36 98 - 37 - 10602/2.9=8, 10602/2.9=7...(10) HB2 GLU 102 - HD2 LYS 39 OK 16 98 - 16 - 1207/1.8=3, 1174/3.0=2...(9) HG3 PRO 58 - HD2 LYS 39 lone 7 81 - 9 - 1152/3.6=1, 1185/3.0=1...(4) Peak 1197 from cnoeabs.peaks (1.13, 1.68, 29.80 ppm; 3.66 A): 3 out of 4 assignments used, quality = 1.00: * HG2 LYS 39 + HD2 LYS 39 OK 100 100 - 100 - 3.0=100 QG2 VAL 132 + HD2 LYS 39 OK 57 96 - 59 - 2.1/11661=15, 1208/1.8=9...(20) QG1 VAL 132 + HD2 LYS 39 OK 56 96 - 58 - 2.1/11661=15, 1208/1.8=9...(21) QG2 THR 115 - HD2 LYS 39 OK 14 100 - 13 - 1208/1.8=2, 1186/3.0=2...(5) Peak 1198 from cnoeabs.peaks (1.16, 1.68, 29.80 ppm; 3.61 A): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 39 + HD2 LYS 39 OK 100 100 - 100 - 3.0=100 HG12 ILE 32 + HD2 LYS 39 OK 60 87 - 69 - 2.9/10833=19...(17) Peak 1199 from cnoeabs.peaks (1.68, 1.68, 29.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 39 + HD2 LYS 39 OK 100 100 - 100 Peak 1200 from cnoeabs.peaks (1.71, 1.68, 29.80 ppm; 2.61 A): 1 out of 6 assignments used, quality = 1.00: * HD3 LYS 39 + HD2 LYS 39 OK 100 100 - 100 - 1.8=100 HG2 ARG 135 - HD2 LYS 39 OK 28 98 - 29 - 1178/3.0=3, ~4340=2...(15) HB3 LEU 70 - HD2 LYS 39 OK 18 100 - 18 - 1156/3.6=2, 1178/3.0=2...(8) HB2 LEU 70 - HD2 LYS 39 OK 17 99 - 18 - 1156/3.6=2, 1178/3.0=2...(8) HG LEU 48 - HD2 LYS 39 lone 5 100 - 4 - HG LEU 98 - HD2 LYS 39 lone 4 96 - 4 - Peak 1201 from cnoeabs.peaks (2.93, 1.68, 29.80 ppm; 3.53 A): 2 out of 5 assignments used, quality = 1.00: * HE2 LYS 39 + HD2 LYS 39 OK 100 100 - 100 - 2.9=100 HE3 LYS 39 + HD2 LYS 39 OK 96 96 - 100 - 2.9=100 HD2 ARG 135 - HD2 LYS 39 OK 36 81 - 45 - 1212/1.8=6, 3.0/1200=6...(20) HB3 ASN 116 - HD2 LYS 39 lone 5 99 - 5 - ~3658=1 HG CYS 73 - HD2 LYS 39 lone 2 92 - 2 - Peak 1202 from cnoeabs.peaks (2.93, 1.68, 29.80 ppm; 3.53 A): 2 out of 4 assignments used, quality = 1.00: * HE3 LYS 39 + HD2 LYS 39 OK 100 100 - 100 - 2.9=100 HE2 LYS 39 + HD2 LYS 39 OK 96 96 - 100 - 2.9=100 HB3 ASN 116 - HD2 LYS 39 lone 5 87 - 5 - ~3658=1 HG CYS 73 - HD2 LYS 39 lone 2 65 - 2 - Peak 1203 from cnoeabs.peaks (8.28, 1.68, 29.80 ppm; 4.44 A): 4 out of 5 assignments used, quality = 0.94: * H GLU 40 + HD2 LYS 39 OK 89 100 - 89 - 6454=38, 6450/3.6=29...(13) H LEU 43 + HD2 LYS 39 OK 27 81 - 33 - 6494/5.3=10, 1159/3.6=5...(9) H LEU 96 + HD2 LYS 39 OK 23 87 - 27 - 1159/3.6=4, 1170/3.6=4...(11) H ASP 131 + HD2 LYS 39 OK 11 57 - 20 - 11648/11661=4...(9) H VAL 126 - HD2 LYS 39 lone 4 57 - 6 - Peak 1204 from cnoeabs.peaks (8.69, 1.71, 29.80 ppm; 5.43 A): 2 out of 3 assignments used, quality = 1.00: * H LYS 39 + HD3 LYS 39 OK 99 100 - 99 - 5.5=95, 3.9/1206=36...(15) H PHE 89 + HD3 LYS 39 OK 52 100 - 52 - 9867/3.0=14, 1160/3.6=12...(8) H HIS 7 - HD3 LYS 39 lone 4 73 - 5 - Peak 1205 from cnoeabs.peaks (3.40, 1.71, 29.80 ppm; 5.21 A): 2 out of 2 assignments used, quality = 1.00: * HA LYS 39 + HD3 LYS 39 OK 100 100 - 100 - 5.3=96, 3.0/1206=38...(25) HB3 HIS 67 + HD3 LYS 39 OK 66 99 - 66 - 1194/1.8=15, 1172/3.0=14...(11) Peak 1206 from cnoeabs.peaks (1.76, 1.71, 29.80 ppm; 3.01 A): 2 out of 2 assignments used, quality = 0.87: * HB2 LYS 39 + HD3 LYS 39 OK 84 100 - 84 - 3.6=59, 1195/1.8=27...(16) HB2 ARG 23 + HD3 LYS 39 OK 22 87 - 26 - 1195/1.8=7, 1173/3.0=4...(8) Peak 1207 from cnoeabs.peaks (2.08, 1.71, 29.80 ppm; 3.97 A): 1 out of 6 assignments used, quality = 1.00: * HB3 LYS 39 + HD3 LYS 39 OK 100 100 - 100 - 3.6=100 HG3 GLN 134 - HD3 LYS 39 OK 32 98 - 33 - 10602/2.9=6, 10602/2.9=6...(10) HB2 GLU 128 - HD3 LYS 39 OK 31 99 - 32 - ~11627=6, 1196/1.8=5...(10) HB3 GLU 44 - HD3 LYS 39 OK 31 100 - 31 - 3.0/9140=5, 1196/1.8=5...(10) HB2 GLU 102 - HD3 LYS 39 OK 13 98 - 13 - 1196/1.8=2, 1152/3.6=2...(6) HG3 PRO 58 - HD3 LYS 39 lone 6 81 - 8 - 1152/3.6=1, 1185/3.0=1...(4) Peak 1208 from cnoeabs.peaks (1.13, 1.71, 29.80 ppm; 3.58 A): 3 out of 4 assignments used, quality = 1.00: * HG2 LYS 39 + HD3 LYS 39 OK 100 100 - 100 - 3.0=100 QG2 VAL 132 + HD3 LYS 39 OK 55 96 - 57 - ~11661=13, 1197/1.8=9...(20) QG1 VAL 132 + HD3 LYS 39 OK 54 96 - 56 - ~11661=13, 1197/1.8=9...(19) QG2 THR 115 - HD3 LYS 39 OK 13 100 - 12 - 1197/1.8=2, 1186/3.0=2...(5) Peak 1209 from cnoeabs.peaks (1.16, 1.71, 29.80 ppm; 3.64 A): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 39 + HD3 LYS 39 OK 100 100 - 100 - 3.0=100 HG12 ILE 32 + HD3 LYS 39 OK 54 87 - 62 - 1198/1.8=14, ~10833=14...(15) Peak 1210 from cnoeabs.peaks (1.68, 1.71, 29.80 ppm; 2.60 A): 1 out of 4 assignments used, quality = 1.00: * HD2 LYS 39 + HD3 LYS 39 OK 100 100 - 100 - 1.8=100 HD3 LYS 36 - HD3 LYS 39 poor 9 73 - 12 - 1188/3.0=2, 1177/3.0=2...(6) HD2 LYS 36 - HD3 LYS 39 poor 9 73 - 12 - 1188/3.0=2, 1177/3.0=2...(6) HB2 LEU 69 - HD3 LYS 39 poor 8 65 - 12 - ~11078=1, ~11079=1...(6) Peak 1211 from cnoeabs.peaks (1.71, 1.71, 29.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 39 + HD3 LYS 39 OK 100 100 - 100 Peak 1212 from cnoeabs.peaks (2.93, 1.71, 29.80 ppm; 3.49 A): 2 out of 5 assignments used, quality = 1.00: * HE2 LYS 39 + HD3 LYS 39 OK 100 100 - 100 - 2.9=100 HE3 LYS 39 + HD3 LYS 39 OK 96 96 - 100 - 2.9=100 HD2 ARG 135 - HD3 LYS 39 OK 43 81 - 54 - 1.8/4356=6, 2.9/11874=6...(25) HB3 ASN 116 - HD3 LYS 39 lone 6 99 - 5 - ~3658=1 HG CYS 73 - HD3 LYS 39 lone 3 92 - 3 - Peak 1213 from cnoeabs.peaks (2.93, 1.71, 29.80 ppm; 3.49 A): 2 out of 4 assignments used, quality = 1.00: * HE3 LYS 39 + HD3 LYS 39 OK 100 100 - 100 - 2.9=100 HE2 LYS 39 + HD3 LYS 39 OK 96 96 - 100 - 2.9=100 HB3 ASN 116 - HD3 LYS 39 lone 5 87 - 5 - ~3658=1 HG CYS 73 - HD3 LYS 39 lone 2 65 - 3 - Peak 1214 from cnoeabs.peaks (8.28, 1.71, 29.80 ppm; 6.11 A): 1 out of 5 assignments used, quality = 0.96: * H GLU 40 + HD3 LYS 39 OK 96 100 - 96 - 6450/3.6=41, 6454/1.8=38...(17) H LEU 43 - HD3 LYS 39 OK 44 81 - 55 - 6494/5.3=18, 1203/1.8=9...(9) H LEU 96 - HD3 LYS 39 OK 38 87 - 43 - 1203/1.8=8, 1170/3.6=6...(9) H ASP 131 - HD3 LYS 39 OK 16 57 - 28 - 1203/1.8=4, ~7918=3...(12) H VAL 126 - HD3 LYS 39 poor 7 57 - 12 - 1170/3.6=2, 1192/3.0=2...(6) Peak 1216 from cnoeabs.peaks (3.40, 2.93, 41.80 ppm; 4.69 A): 3 out of 4 assignments used, quality = 0.99: * HA LYS 39 + HE2 LYS 39 OK 96 100 - 96 - 5.9=51, 3.0/1217=18...(21) HA LYS 39 + HE3 LYS 39 OK 70 73 - 96 - 5.9=51, ~1195=17...(21) HB3 HIS 67 + HE2 LYS 39 OK 51 99 - 51 - 1205/2.9=11, 1194/2.9=11...(9) HB3 HIS 67 - HE3 LYS 39 OK 37 71 - 51 - 1205/2.9=11, 1194/2.9=11...(9) Peak 1217 from cnoeabs.peaks (1.76, 2.93, 41.80 ppm; 3.69 A): 2 out of 4 assignments used, quality = 0.97: * HB2 LYS 39 + HE2 LYS 39 OK 91 100 - 91 - 4.9=43, 1195/2.9=27...(21) HB2 LYS 39 + HE3 LYS 39 OK 66 73 - 90 - 4.9=43, 1195/2.9=27...(21) HB2 ARG 23 - HE2 LYS 39 OK 27 87 - 31 - 1206/2.9=7, 1195/2.9=7...(7) HB2 ARG 23 - HE3 LYS 39 OK 18 57 - 31 - 1206/2.9=7, 1195/2.9=7...(7) Peak 1218 from cnoeabs.peaks (2.08, 2.93, 41.80 ppm; 4.03 A): 2 out of 12 assignments used, quality = 0.99: * HB3 LYS 39 + HE2 LYS 39 OK 96 100 - 96 - 4.9=57, ~1195=19...(23) HB3 LYS 39 + HE3 LYS 39 OK 70 73 - 95 - 4.9=57, ~1195=19...(23) HG3 GLN 134 - HE2 LYS 39 OK 32 98 - 33 - 10602=7, 10602/1.8=6...(11) HB3 GLU 44 - HE2 LYS 39 OK 24 100 - 24 - ~9140=5, 1207/2.9=4...(8) HG3 GLN 134 - HE3 LYS 39 OK 22 69 - 32 - 10602/1.8=7, 10602=6...(10) HB2 GLU 128 - HE2 LYS 39 OK 21 99 - 22 - 1207/2.9=4, 1196/2.9=4...(7) HB3 GLU 44 - HE3 LYS 39 OK 17 73 - 24 - ~9140=5, 1207/2.9=4...(8) HB2 GLU 128 - HE3 LYS 39 OK 15 71 - 21 - 1207/2.9=4, 1196/2.9=4...(7) HB2 GLU 102 - HE2 LYS 39 OK 10 98 - 10 - 1196/2.9=2, 1207/2.9=2...(5) HB2 GLU 102 - HE3 LYS 39 poor 7 69 - 10 - 1196/2.9=2, 1207/2.9=2...(5) HG3 PRO 58 - HE2 LYS 39 lone 5 81 - 6 - HG3 PRO 58 - HE3 LYS 39 lone 3 52 - 6 - Peak 1219 from cnoeabs.peaks (1.13, 2.93, 41.80 ppm; 3.57 A): 2 out of 8 assignments used, quality = 0.98: * HG2 LYS 39 + HE2 LYS 39 OK 93 100 - 93 - 4.0=73, 1.8/1220=15...(18) HG2 LYS 39 + HE3 LYS 39 OK 68 73 - 92 - 4.0=73, 1.8/1220=11...(18) QG2 VAL 132 - HE2 LYS 39 OK 45 96 - 47 - ~11661=10, 1208/2.9=7...(13) QG1 VAL 132 - HE2 LYS 39 OK 44 96 - 46 - ~11661=10, 1208/2.9=7...(13) QG2 VAL 132 - HE3 LYS 39 OK 30 66 - 46 - ~11661=10, 1208/2.9=7...(13) QG1 VAL 132 - HE3 LYS 39 OK 29 66 - 45 - ~11661=10, 1208/2.9=7...(13) QG2 THR 115 - HE2 LYS 39 OK 12 100 - 11 - 1197/2.9=2, 4.2/7616=2...(6) QG2 THR 115 - HE3 LYS 39 poor 8 73 - 10 - 1197/2.9=2, 1208/2.9=2...(6) Peak 1220 from cnoeabs.peaks (1.16, 2.93, 41.80 ppm; 3.54 A): 2 out of 4 assignments used, quality = 0.97: * HG3 LYS 39 + HE2 LYS 39 OK 92 100 - 92 - 4.0=71, 2.9/1217=12...(18) HG3 LYS 39 + HE3 LYS 39 OK 66 73 - 91 - 4.0=71, 2.9/1158=10...(18) HG12 ILE 32 - HE2 LYS 39 OK 38 87 - 44 - 1198/2.9=10, 1209/2.9=9...(9) HG12 ILE 32 - HE3 LYS 39 OK 25 57 - 44 - 1198/2.9=10, 1209/2.9=9...(9) Peak 1221 from cnoeabs.peaks (1.68, 2.93, 41.80 ppm; 3.29 A): 2 out of 8 assignments used, quality = 1.00: * HD2 LYS 39 + HE2 LYS 39 OK 100 100 - 100 - 2.9=100 HD2 LYS 39 + HE3 LYS 39 OK 73 73 - 100 - 2.9=100 HB2 LEU 69 - HE2 LYS 39 OK 16 65 - 25 - 3.0/11078=5, 2.9/11079=4...(7) HD2 LYS 36 - HE2 LYS 39 OK 11 73 - 14 - 1188/4.0=2, 1210/2.9=2...(7) HD3 LYS 36 - HE2 LYS 39 OK 11 73 - 14 - 1188/4.0=2, 1210/2.9=2...(7) HB2 LEU 69 - HE3 LYS 39 OK 10 41 - 25 - 3.0/11078=5, 2.9/11079=5...(7) HD2 LYS 36 - HE3 LYS 39 poor 7 46 - 14 - 1188/4.0=2, 1210/2.9=2...(7) HD3 LYS 36 - HE3 LYS 39 poor 7 46 - 14 - 1188/4.0=2, 1210/2.9=2...(7) Peak 1222 from cnoeabs.peaks (1.71, 2.93, 41.80 ppm; 3.25 A): 2 out of 12 assignments used, quality = 1.00: * HD3 LYS 39 + HE2 LYS 39 OK 100 100 - 100 - 2.9=100 HD3 LYS 39 + HE3 LYS 39 OK 73 73 - 100 - 2.9=100 HG2 ARG 135 - HE2 LYS 39 OK 38 98 - 39 - 1200/2.9=5, 11689/4.0=3...(23) HG2 ARG 135 - HE3 LYS 39 OK 25 69 - 36 - 1200/2.9=5, 4334/1.8=4...(19) HB3 LEU 70 - HE2 LYS 39 OK 23 100 - 23 - 1200/2.9=3, 3.0/11105=3...(9) HB2 LEU 70 - HE2 LYS 39 OK 23 99 - 23 - 1200/2.9=3, 3.0/11105=3...(9) HB3 LEU 70 - HE3 LYS 39 OK 16 73 - 22 - 1200/2.9=3, 3.0/11105=3...(9) HB2 LEU 70 - HE3 LYS 39 OK 16 71 - 22 - 1200/2.9=3, 3.0/11105=3...(9) HG LEU 48 - HE2 LYS 39 lone 6 100 - 6 - HG LEU 98 - HE2 LYS 39 lone 5 96 - 5 - HG LEU 48 - HE3 LYS 39 lone 4 73 - 5 - HG LEU 98 - HE3 LYS 39 lone 3 66 - 4 - Peak 1223 from cnoeabs.peaks (2.93, 2.93, 41.80 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 39 + HE2 LYS 39 OK 100 100 - 100 HE3 LYS 39 + HE3 LYS 39 OK 66 66 - 100 Peak 1224 from cnoeabs.peaks (2.93, 2.93, 41.80 ppm; diagonal): 2 out of 2 assignments used, quality = 0.99: HE2 LYS 39 + HE2 LYS 39 OK 96 96 - 100 HE3 LYS 39 + HE3 LYS 39 OK 73 73 - 100 Reference assignment not found: HE3 LYS 39 - HE2 LYS 39 Peak 1225 from cnoeabs.peaks (8.28, 2.93, 41.80 ppm; 6.59 A): 3 out of 10 assignments used, quality = 0.99: * H GLU 40 + HE2 LYS 39 OK 94 100 - 94 - 6450/4.9=38, 6454/2.9=38...(12) H GLU 40 + HE3 LYS 39 OK 68 73 - 93 - 6450/4.9=38, 6454/2.9=38...(10) H LEU 43 + HE2 LYS 39 OK 56 81 - 70 - 6494/5.9=19, 4.5/9120=18...(12) H LEU 96 - HE2 LYS 39 OK 43 87 - 50 - 1214/2.9=8, 1203/2.9=7...(11) H LEU 43 - HE3 LYS 39 OK 32 52 - 62 - 6494/5.9=19, 4.4/9123=12...(11) H LEU 96 - HE3 LYS 39 OK 29 57 - 51 - 1214/2.9=8, 1203/2.9=7...(13) H ASP 131 - HE2 LYS 39 OK 15 57 - 26 - 1203/2.9=4, 1214/2.9=3...(10) H ASP 131 - HE3 LYS 39 poor 9 35 - 26 - 1203/2.9=4, 1214/2.9=3...(10) H VAL 126 - HE2 LYS 39 poor 9 57 - 15 - 1170/4.9=2, 1192/4.0=2...(8) H VAL 126 - HE3 LYS 39 poor 5 35 - 14 - 10400/10462=2...(8) Peak 1227 from cnoeabs.peaks (3.40, 2.93, 41.80 ppm; 4.69 A): 3 out of 4 assignments used, quality = 0.99: * HA LYS 39 + HE3 LYS 39 OK 96 100 - 96 - 5.9=51, 3.0/1228=18...(21) HA LYS 39 + HE2 LYS 39 OK 70 73 - 96 - 5.9=51, ~1195=17...(21) HB3 HIS 67 + HE3 LYS 39 OK 51 99 - 51 - 1205/2.9=11, 1194/2.9=11...(9) HB3 HIS 67 - HE2 LYS 39 OK 37 71 - 51 - 1205/2.9=11, 1194/2.9=11...(9) Peak 1228 from cnoeabs.peaks (1.76, 2.93, 41.80 ppm; 3.69 A): 2 out of 4 assignments used, quality = 0.97: * HB2 LYS 39 + HE3 LYS 39 OK 91 100 - 91 - 4.9=43, 1195/2.9=27...(21) HB2 LYS 39 + HE2 LYS 39 OK 66 73 - 90 - 4.9=43, 1195/2.9=27...(21) HB2 ARG 23 - HE3 LYS 39 OK 27 87 - 31 - 1206/2.9=7, 1195/2.9=7...(7) HB2 ARG 23 - HE2 LYS 39 OK 18 57 - 31 - 1206/2.9=7, 1195/2.9=7...(7) Peak 1229 from cnoeabs.peaks (2.08, 2.93, 41.80 ppm; 4.03 A): 2 out of 12 assignments used, quality = 0.99: * HB3 LYS 39 + HE3 LYS 39 OK 96 100 - 96 - 4.9=57, ~1195=19...(23) HB3 LYS 39 + HE2 LYS 39 OK 70 73 - 95 - 4.9=57, ~1195=19...(23) HG3 GLN 134 - HE3 LYS 39 OK 31 98 - 32 - 10602/1.8=7, 10602=6...(10) HB3 GLU 44 - HE3 LYS 39 OK 24 100 - 24 - ~9140=5, 1207/2.9=4...(8) HG3 GLN 134 - HE2 LYS 39 OK 22 69 - 32 - 10602=6, 10602/1.8=6...(10) HB2 GLU 128 - HE3 LYS 39 OK 21 99 - 21 - 1207/2.9=4, 1196/2.9=4...(7) HB3 GLU 44 - HE2 LYS 39 OK 17 73 - 24 - ~9140=5, 1207/2.9=4...(8) HB2 GLU 128 - HE2 LYS 39 OK 15 71 - 21 - 1207/2.9=4, 1196/2.9=4...(7) HB2 GLU 102 - HE3 LYS 39 OK 10 98 - 10 - 1196/2.9=2, 1207/2.9=2...(5) HB2 GLU 102 - HE2 LYS 39 poor 7 69 - 10 - 1196/2.9=2, 1207/2.9=2...(5) HG3 PRO 58 - HE3 LYS 39 lone 5 81 - 6 - HG3 PRO 58 - HE2 LYS 39 lone 3 52 - 6 - Peak 1230 from cnoeabs.peaks (1.13, 2.93, 41.80 ppm; 3.57 A): 2 out of 8 assignments used, quality = 0.98: * HG2 LYS 39 + HE3 LYS 39 OK 93 100 - 93 - 4.0=73, 1.8/1231=15...(18) HG2 LYS 39 + HE2 LYS 39 OK 68 73 - 92 - 4.0=73, 1.8/1231=11...(18) QG2 VAL 132 - HE3 LYS 39 OK 43 96 - 45 - ~11661=10, 1208/2.9=7...(13) QG1 VAL 132 - HE3 LYS 39 OK 43 96 - 45 - ~11661=10, 1208/2.9=7...(13) QG2 VAL 132 - HE2 LYS 39 OK 30 66 - 46 - ~11661=10, 1208/2.9=7...(13) QG1 VAL 132 - HE2 LYS 39 OK 30 66 - 45 - ~11661=10, 1208/2.9=7...(13) QG2 THR 115 - HE3 LYS 39 OK 10 100 - 10 - 1197/2.9=2, 1208/2.9=2...(5) QG2 THR 115 - HE2 LYS 39 poor 8 73 - 11 - 1197/2.9=2, 1208/2.9=2...(6) Peak 1231 from cnoeabs.peaks (1.16, 2.93, 41.80 ppm; 3.54 A): 2 out of 4 assignments used, quality = 0.97: * HG3 LYS 39 + HE3 LYS 39 OK 92 100 - 92 - 4.0=71, 2.9/1228=12...(18) HG3 LYS 39 + HE2 LYS 39 OK 67 73 - 91 - 4.0=71, 2.9/1158=10...(18) HG12 ILE 32 - HE3 LYS 39 OK 38 87 - 44 - 1198/2.9=10, 1209/2.9=9...(9) HG12 ILE 32 - HE2 LYS 39 OK 25 57 - 44 - 1198/2.9=10, 1209/2.9=9...(9) Peak 1232 from cnoeabs.peaks (1.68, 2.93, 41.80 ppm; 3.29 A): 2 out of 8 assignments used, quality = 1.00: * HD2 LYS 39 + HE3 LYS 39 OK 100 100 - 100 - 2.9=100 HD2 LYS 39 + HE2 LYS 39 OK 73 73 - 100 - 2.9=100 HB2 LEU 69 - HE3 LYS 39 OK 17 65 - 26 - 3.0/11078=5, 2.9/11079=5...(7) HD3 LYS 36 - HE3 LYS 39 OK 11 73 - 15 - 1188/4.0=2, 1210/2.9=2...(7) HD2 LYS 36 - HE3 LYS 39 OK 11 73 - 15 - 1188/4.0=2, 1210/2.9=2...(7) HB2 LEU 69 - HE2 LYS 39 OK 10 41 - 26 - 3.0/11078=5, 2.9/11079=5...(7) HD2 LYS 36 - HE2 LYS 39 poor 7 46 - 14 - 1188/4.0=2, 1210/2.9=2...(7) HD3 LYS 36 - HE2 LYS 39 poor 7 46 - 14 - 1188/4.0=2, 1210/2.9=2...(7) Peak 1233 from cnoeabs.peaks (1.71, 2.93, 41.80 ppm; 3.25 A): 2 out of 12 assignments used, quality = 1.00: * HD3 LYS 39 + HE3 LYS 39 OK 100 100 - 100 - 2.9=100 HD3 LYS 39 + HE2 LYS 39 OK 73 73 - 100 - 2.9=100 HG2 ARG 135 - HE3 LYS 39 OK 35 98 - 36 - 1200/2.9=5, 4334/1.8=4...(19) HB3 LEU 70 - HE3 LYS 39 OK 22 100 - 22 - 1200/2.9=3, 3.0/11105=3...(9) HG2 ARG 135 - HE2 LYS 39 OK 22 69 - 32 - 1200/2.9=5, 11689/4.0=3...(17) HB2 LEU 70 - HE3 LYS 39 OK 22 99 - 22 - 1200/2.9=3, 3.0/11105=3...(9) HB3 LEU 70 - HE2 LYS 39 OK 16 73 - 22 - 1200/2.9=3, 3.0/11105=3...(9) HB2 LEU 70 - HE2 LYS 39 OK 16 71 - 22 - 1200/2.9=3, 3.0/11105=3...(9) HG LEU 48 - HE3 LYS 39 lone 6 100 - 5 - HG LEU 98 - HE3 LYS 39 lone 5 96 - 5 - HG LEU 48 - HE2 LYS 39 lone 4 73 - 6 - HG LEU 98 - HE2 LYS 39 lone 3 66 - 5 - Peak 1234 from cnoeabs.peaks (2.93, 2.93, 41.80 ppm; diagonal): 2 out of 2 assignments used, quality = 0.99: HE3 LYS 39 + HE3 LYS 39 OK 96 96 - 100 HE2 LYS 39 + HE2 LYS 39 OK 73 73 - 100 Reference assignment not found: HE2 LYS 39 - HE3 LYS 39 Peak 1235 from cnoeabs.peaks (2.93, 2.93, 41.80 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 39 + HE3 LYS 39 OK 100 100 - 100 HE2 LYS 39 + HE2 LYS 39 OK 66 66 - 100 Peak 1236 from cnoeabs.peaks (8.28, 2.93, 41.80 ppm; 6.59 A): 4 out of 10 assignments used, quality = 0.99: * H GLU 40 + HE3 LYS 39 OK 94 100 - 94 - 6450/4.9=38, 6454/2.9=38...(11) H GLU 40 + HE2 LYS 39 OK 68 73 - 93 - 6450/4.9=38, 6454/2.9=38...(9) H LEU 43 + HE3 LYS 39 OK 49 81 - 61 - 6494/5.9=19, 1214/2.9=9...(11) H LEU 96 + HE3 LYS 39 OK 46 87 - 53 - 1214/2.9=8, 1203/2.9=7...(13) H LEU 43 - HE2 LYS 39 OK 33 52 - 64 - 6494/5.9=19, 4.4/9123=11...(12) H LEU 96 - HE2 LYS 39 OK 29 57 - 51 - 1214/2.9=8, 1203/2.9=7...(13) H ASP 131 - HE3 LYS 39 OK 16 57 - 28 - 10563/10579=4...(11) H ASP 131 - HE2 LYS 39 poor 9 35 - 27 - 1203/2.9=4, 1214/2.9=3...(10) H VAL 126 - HE3 LYS 39 poor 9 57 - 15 - 10400/10462=3...(8) H VAL 126 - HE2 LYS 39 poor 5 35 - 15 - 10400/10462=2...(8) Peak 1237 from cnoeabs.peaks (8.28, 3.84, 59.43 ppm; 3.79 A): 2 out of 5 assignments used, quality = 1.00: * H GLU 40 + HA GLU 40 OK 100 100 - 100 - 2.8=100 H LEU 43 + HA GLU 40 OK 54 81 - 67 - 3.9/1245=18, 3.9/1246=13...(16) H LEU 96 - HA GLU 40 OK 13 87 - 14 - 1254/3.0=2, ~3054=2...(8) H VAL 126 - HA GLU 40 poor 9 57 - 15 - 6477/3.6=4, 3.5/7803=2...(5) H ASP 131 - HA GLU 40 lone 4 57 - 7 - 1268/3.9=2, 6468/3.6=1 Peak 1238 from cnoeabs.peaks (3.84, 3.84, 59.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 40 + HA GLU 40 OK 100 100 - 100 Peak 1239 from cnoeabs.peaks (1.90, 3.84, 59.43 ppm; 3.79 A): 2 out of 5 assignments used, quality = 1.00: * HB2 GLU 40 + HA GLU 40 OK 100 100 - 100 - 3.0=100 HB2 ARG 135 + HA GLU 40 OK 57 98 - 59 - 1256/3.0=11, 2.9/1240=8...(16) HB3 LEU 123 - HA GLU 40 OK 13 74 - 17 - 1.8/3920=2, 6459/2.8=2...(10) HB3 LEU 48 - HA GLU 40 OK 12 92 - 12 - 1256/3.0=2, 6459/2.8=2...(6) HB3 ARG 84 - HA GLU 40 lone 7 92 - 7 - 1256/3.0=1, 6459/2.8=1 Peak 1240 from cnoeabs.peaks (2.04, 3.84, 59.43 ppm; 3.69 A): 2 out of 6 assignments used, quality = 1.00: * HB3 GLU 40 + HA GLU 40 OK 100 100 - 100 - 3.0=100 HG3 ARG 135 + HA GLU 40 OK 58 98 - 59 - 1250/3.0=10, 2.9/1239=8...(18) HB3 GLU 55 - HA GLU 40 OK 35 87 - 40 - 3.0/1242=8, 1719/3.9=5...(13) HB3 GLU 91 - HA GLU 40 lone 8 98 - 8 - 1250/3.0=1, 6460/2.8=1 HG2 PRO 58 - HA GLU 40 lone 2 65 - 3 - QE MET 11 - HA GLU 40 lone 2 92 - 2 - Peak 1241 from cnoeabs.peaks (2.31, 3.84, 59.43 ppm; 4.01 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 40 + HA GLU 40 OK 100 100 - 100 - 3.9=100 HG3 GLN 68 - HA GLU 40 lone 5 65 - 8 - 1251/3.0=2, 1258/3.0=2...(4) Peak 1242 from cnoeabs.peaks (2.39, 3.84, 59.43 ppm; 4.14 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 40 + HA GLU 40 OK 100 100 - 100 - 3.9=100 HG3 GLU 55 + HA GLU 40 OK 48 98 - 49 - 1259/3.0=12, 1252/3.0=11...(10) Peak 1243 from cnoeabs.peaks (7.89, 3.84, 59.43 ppm; 5.02 A): 1 out of 4 assignments used, quality = 1.00: * H ALA 41 + HA GLU 40 OK 100 100 - 100 - 3.6=100 H GLU 128 - HA GLU 40 OK 32 87 - 36 - 6463/2.8=7, 1253/3.0=5...(11) H GLN 104 - HA GLU 40 OK 22 92 - 23 - 1260/3.0=5, 1274/3.9=5...(6) H SER 106 - HA GLU 40 OK 15 81 - 19 - 1274/3.9=6, 1260/3.0=3...(5) Peak 1244 from cnoeabs.peaks (8.29, 3.84, 59.43 ppm; 3.78 A): 2 out of 4 assignments used, quality = 0.94: H GLU 40 + HA GLU 40 OK 81 81 - 100 - 2.8=100 * H LEU 43 + HA GLU 40 OK 69 100 - 69 - 3.9/1245=18, 3.9/1246=13...(16) H VAL 126 - HA GLU 40 OK 19 98 - 19 - 7801/3.6=5, 10937/4.9=2...(6) H SER 99 - HA GLU 40 lone 6 96 - 6 - 6477/3.6=1, 10937/4.9=1 Peak 1245 from cnoeabs.peaks (1.73, 3.84, 59.43 ppm; 4.21 A): 1 out of 2 assignments used, quality = 0.68: * HB2 LEU 43 + HA GLU 40 OK 68 100 - 68 - 1.8/1246=23, 1349=16...(12) HG3 ARG 90 - HA GLU 40 lone 7 92 - 8 - 1361/1246=3, 6520/6514=2...(4) Peak 1246 from cnoeabs.peaks (1.28, 3.84, 59.43 ppm; 5.13 A): 2 out of 2 assignments used, quality = 0.85: * HB3 LEU 43 + HA GLU 40 OK 83 100 - 83 - 1.8/1245=44, 4.6/6514=16...(12) HG12 ILE 37 + HA GLU 40 OK 11 87 - 13 - 1353/1245=5, 6521/6514=2...(4) Peak 1247 from cnoeabs.peaks (8.28, 1.90, 28.28 ppm; 3.86 A): 1 out of 5 assignments used, quality = 0.97: * H GLU 40 + HB2 GLU 40 OK 97 100 - 97 - 4.0=92, 1254/1.8=27...(8) H LEU 43 - HB2 GLU 40 OK 22 81 - 28 - 1237/3.0=9, 1254/1.8=6...(6) H LEU 96 - HB2 GLU 40 poor 10 87 - 11 - 1254/1.8=3, 1261/3.0=2...(5) H VAL 126 - HB2 GLU 40 lone 5 57 - 9 - 6477/4.6=3, 1244/3.0=2 H ASP 131 - HB2 GLU 40 lone 3 57 - 6 - 1268/3.0=2, 1254/1.8=1 Peak 1248 from cnoeabs.peaks (3.84, 1.90, 28.28 ppm; 3.81 A): 1 out of 6 assignments used, quality = 1.00: * HA GLU 40 + HB2 GLU 40 OK 100 100 - 100 - 3.0=100 HA LEU 123 - HB2 GLU 40 OK 16 87 - 18 - 1255/1.8=4, 1262/3.0=3...(5) HA LEU 62 - HB2 GLU 40 OK 16 96 - 16 - 1255/1.8=4, 6458/4.0=3...(7) HB2 SER 50 - HB2 GLU 40 lone 10 96 - 10 - 1255/1.8=3, 1262/3.0=2...(5) HD2 PRO 81 - HB2 GLU 40 lone 1 57 - 2 - HB3 SER 33 - HB2 GLU 40 lone 1 57 - 2 - Peak 1249 from cnoeabs.peaks (1.90, 1.90, 28.28 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 40 + HB2 GLU 40 OK 100 100 - 100 Peak 1250 from cnoeabs.peaks (2.04, 1.90, 28.28 ppm; 3.10 A): 2 out of 6 assignments used, quality = 1.00: * HB3 GLU 40 + HB2 GLU 40 OK 100 100 - 100 - 1.8=100 HG3 ARG 135 + HB2 GLU 40 OK 62 98 - 63 - 4338=12, 1.8/4330=8...(22) HB3 GLU 55 - HB2 GLU 40 OK 32 87 - 37 - 3.0/1252=7, 1271/3.0=4...(16) HB3 GLU 91 - HB2 GLU 40 lone 7 98 - 7 - QE MET 11 - HB2 GLU 40 lone 1 92 - 1 - HG2 PRO 58 - HB2 GLU 40 lone 1 65 - 2 - Peak 1251 from cnoeabs.peaks (2.31, 1.90, 28.28 ppm; 3.83 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 40 + HB2 GLU 40 OK 100 100 - 100 - 3.0=100 HG3 GLN 68 - HB2 GLU 40 lone 6 65 - 9 - 1258/1.8=2, 1241/3.0=1 Peak 1252 from cnoeabs.peaks (2.39, 1.90, 28.28 ppm; 3.74 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 40 + HB2 GLU 40 OK 100 100 - 100 - 3.0=100 HG3 GLU 55 + HB2 GLU 40 OK 51 98 - 52 - 1259/1.8=14, 1242/3.0=8...(14) Peak 1253 from cnoeabs.peaks (7.89, 1.90, 28.28 ppm; 4.41 A): 1 out of 4 assignments used, quality = 0.98: * H ALA 41 + HB2 GLU 40 OK 98 100 - 98 - 4.6=90, 1260/1.8=31...(11) H GLU 128 - HB2 GLU 40 OK 20 87 - 23 - 1260/1.8=6, 1243/3.0=5...(6) H GLN 104 - HB2 GLU 40 OK 17 92 - 18 - 1260/1.8=5, 1274/3.0=4...(5) H SER 106 - HB2 GLU 40 OK 12 81 - 15 - 1274/3.0=5, 1260/1.8=3...(5) Peak 1254 from cnoeabs.peaks (8.28, 2.04, 28.28 ppm; 3.74 A): 1 out of 5 assignments used, quality = 0.94: * H GLU 40 + HB3 GLU 40 OK 94 100 - 94 - 4.0=84, 1247/1.8=25...(9) H LEU 43 - HB3 GLU 40 OK 20 81 - 25 - 1237/3.0=8, 1247/1.8=6...(5) H LEU 96 - HB3 GLU 40 poor 10 87 - 11 - 1247/1.8=3, 1261/3.0=2...(5) H VAL 126 - HB3 GLU 40 lone 5 57 - 8 - 6477/4.6=3, 1244/3.0=2 H ASP 131 - HB3 GLU 40 lone 4 57 - 7 - 1268/3.0=2 Peak 1255 from cnoeabs.peaks (3.84, 2.04, 28.28 ppm; 3.59 A): 1 out of 6 assignments used, quality = 1.00: * HA GLU 40 + HB3 GLU 40 OK 100 100 - 100 - 3.0=100 HA LEU 123 - HB3 GLU 40 OK 14 87 - 16 - 1248/1.8=4, 1269/3.0=2...(6) HA LEU 62 - HB3 GLU 40 OK 14 96 - 15 - 1248/1.8=4, 1269/3.0=2...(5) HB2 SER 50 - HB3 GLU 40 lone 9 96 - 9 - 1248/1.8=2, 1262/3.0=2...(4) HD2 PRO 81 - HB3 GLU 40 lone 1 57 - 2 - HB3 SER 33 - HB3 GLU 40 lone 1 57 - 2 - Peak 1256 from cnoeabs.peaks (1.90, 2.04, 28.28 ppm; 2.96 A): 2 out of 5 assignments used, quality = 1.00: * HB2 GLU 40 + HB3 GLU 40 OK 100 100 - 100 - 1.8=100 HB2 ARG 135 + HB3 GLU 40 OK 55 98 - 56 - 1.8/4325=7, 2.9/4333=7...(21) HB3 LEU 48 - HB3 GLU 40 lone 9 92 - 9 - ~1498=1, 1239/3.0=1...(4) HB3 LEU 123 - HB3 GLU 40 lone 7 74 - 10 - 3.0/1255=2, 1239/3.0=1, ~1248=1 HB3 ARG 84 - HB3 GLU 40 lone 7 92 - 7 - Peak 1257 from cnoeabs.peaks (2.04, 2.04, 28.28 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 40 + HB3 GLU 40 OK 100 100 - 100 Peak 1258 from cnoeabs.peaks (2.31, 2.04, 28.28 ppm; 3.27 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 40 + HB3 GLU 40 OK 100 100 - 100 - 3.0=100 HG3 GLN 68 - HB3 GLU 40 lone 4 65 - 6 - 1251/1.8=2, 1241/3.0=1 Peak 1259 from cnoeabs.peaks (2.39, 2.04, 28.28 ppm; 3.42 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 40 + HB3 GLU 40 OK 100 100 - 100 - 3.0=100 HG3 GLU 55 + HB3 GLU 40 OK 50 98 - 51 - 1252/1.8=11, 1729=9...(17) Peak 1260 from cnoeabs.peaks (7.89, 2.04, 28.28 ppm; 3.92 A): 3 out of 4 assignments used, quality = 0.91: * H ALA 41 + HB3 GLU 40 OK 87 100 - 87 - 4.6=63, 6470/1.8=23...(11) H GLU 128 + HB3 GLU 40 OK 16 87 - 18 - 1253/1.8=4, 1243/3.0=4...(6) H GLN 104 + HB3 GLU 40 OK 13 92 - 14 - 1253/1.8=4, 1274/3.0=3...(5) H SER 106 - HB3 GLU 40 poor 10 81 - 12 - 1274/3.0=4, 1253/1.8=3...(5) Peak 1261 from cnoeabs.peaks (8.28, 2.31, 35.29 ppm; 3.70 A): 2 out of 5 assignments used, quality = 0.83: * H GLU 40 + HG2 GLU 40 OK 80 100 - 80 - 4.8=47, 6462/1.8=21...(6) H LEU 43 + HG2 GLU 40 OK 17 81 - 21 - 1237/3.9=7, 1268/1.8=5...(5) H LEU 96 - HG2 GLU 40 lone 9 87 - 10 - 1268/1.8=2, 1254/3.0=2...(5) H VAL 126 - HG2 GLU 40 lone 3 57 - 6 - 1244/3.9=1, 1254/3.0=1 H ASP 131 - HG2 GLU 40 lone 3 57 - 5 - 1268/1.8=2 Peak 1262 from cnoeabs.peaks (3.84, 2.31, 35.29 ppm; 3.87 A): 1 out of 6 assignments used, quality = 1.00: * HA GLU 40 + HG2 GLU 40 OK 100 100 - 100 - 3.9=100 HA LEU 123 - HG2 GLU 40 OK 14 87 - 15 - 1269/1.8=4, 1255/3.0=3...(5) HA LEU 62 - HG2 GLU 40 OK 12 96 - 13 - 1269/1.8=4, 1248/3.0=3...(4) HB2 SER 50 - HG2 GLU 40 lone 9 96 - 9 - 1269/1.8=2, 1248/3.0=2...(4) HB3 SER 33 - HG2 GLU 40 lone 1 57 - 2 - HD2 PRO 81 - HG2 GLU 40 lone 1 57 - 2 - Peak 1263 from cnoeabs.peaks (1.90, 2.31, 35.29 ppm; 3.45 A): 2 out of 5 assignments used, quality = 1.00: * HB2 GLU 40 + HG2 GLU 40 OK 100 100 - 100 - 3.0=100 HB2 ARG 135 + HG2 GLU 40 OK 48 98 - 49 - 1270/1.8=10, 1256/3.0=9...(15) HB3 LEU 48 - HG2 GLU 40 lone 9 92 - 9 - 1270/1.8=2, 1256/3.0=2...(4) HB3 LEU 123 - HG2 GLU 40 poor 8 74 - 11 - 3.0/1262=2, 1270/1.8=2...(5) HB3 ARG 84 - HG2 GLU 40 lone 5 92 - 6 - 1256/3.0=1, 1270/1.8=1 Peak 1264 from cnoeabs.peaks (2.04, 2.31, 35.29 ppm; 3.23 A): 2 out of 6 assignments used, quality = 1.00: * HB3 GLU 40 + HG2 GLU 40 OK 100 100 - 100 - 3.0=100 HG3 ARG 135 + HG2 GLU 40 OK 45 98 - 46 - 1271/1.8=8, 1250/3.0=8...(16) HB3 GLU 55 - HG2 GLU 40 OK 31 87 - 35 - 1271/1.8=6, 3.0/1266=6...(13) HB3 GLU 91 - HG2 GLU 40 lone 6 98 - 6 - 1271/1.8=1 QE MET 11 - HG2 GLU 40 lone 1 92 - 1 - HG2 PRO 58 - HG2 GLU 40 lone 1 65 - 1 - Peak 1265 from cnoeabs.peaks (2.31, 2.31, 35.29 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 40 + HG2 GLU 40 OK 100 100 - 100 Peak 1266 from cnoeabs.peaks (2.39, 2.31, 35.29 ppm; 2.50 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLU 40 + HG2 GLU 40 OK 100 100 - 100 - 1.8=100 HG3 GLU 55 - HG2 GLU 40 OK 23 98 - 23 - 1259/3.0=4, 1252/3.0=4...(10) Peak 1267 from cnoeabs.peaks (7.89, 2.31, 35.29 ppm; 5.53 A): 2 out of 4 assignments used, quality = 0.94: * H ALA 41 + HG2 GLU 40 OK 91 100 - 92 - 6472=45, 4.6/6461=33...(11) H GLU 128 + HG2 GLU 40 OK 24 87 - 28 - 1243/3.9=6, 1253/3.0=6...(5) H GLN 104 - HG2 GLU 40 OK 23 92 - 25 - 1274/1.8=7, 1253/3.0=5...(5) H SER 106 - HG2 GLU 40 OK 17 81 - 21 - 1274/1.8=9, 1253/3.0=4...(5) Peak 1268 from cnoeabs.peaks (8.28, 2.39, 35.29 ppm; 4.08 A): 3 out of 5 assignments used, quality = 0.94: * H GLU 40 + HG3 GLU 40 OK 91 100 - 91 - 4.8=63, 6461/1.8=35...(8) H LEU 43 + HG3 GLU 40 OK 21 81 - 27 - 1237/3.9=8, 1261/1.8=6...(6) H ASP 131 + HG3 GLU 40 OK 11 57 - 19 - 3.8/10515=14...(3) H LEU 96 - HG3 GLU 40 poor 10 87 - 11 - 1261/1.8=3, 1254/3.0=2...(4) H VAL 126 - HG3 GLU 40 lone 4 57 - 7 - 1244/3.9=2, 1261/1.8=1...(4) Peak 1269 from cnoeabs.peaks (3.84, 2.39, 35.29 ppm; 3.80 A): 1 out of 6 assignments used, quality = 0.98: * HA GLU 40 + HG3 GLU 40 OK 98 100 - 98 - 3.9=95, 2.8/6462=18...(11) HA LEU 123 - HG3 GLU 40 OK 13 87 - 15 - 1262/1.8=4, 1255/3.0=3...(5) HA LEU 62 - HG3 GLU 40 OK 13 96 - 14 - 1262/1.8=3, 1248/3.0=3...(5) HB2 SER 50 - HG3 GLU 40 lone 8 96 - 8 - 1262/1.8=2, 1248/3.0=2...(4) HB3 SER 33 - HG3 GLU 40 lone 1 57 - 2 - HD2 PRO 81 - HG3 GLU 40 lone 1 57 - 1 - Peak 1270 from cnoeabs.peaks (1.90, 2.39, 35.29 ppm; 3.46 A): 2 out of 5 assignments used, quality = 1.00: * HB2 GLU 40 + HG3 GLU 40 OK 100 100 - 100 - 3.0=100 HB2 ARG 135 + HG3 GLU 40 OK 48 98 - 49 - 1263/1.8=10, 1256/3.0=9...(14) HB3 LEU 48 - HG3 GLU 40 lone 9 92 - 9 - 1263/1.8=2, 1256/3.0=2...(4) HB3 LEU 123 - HG3 GLU 40 poor 8 74 - 11 - 3.0/1269=2, 1263/1.8=2...(5) HB3 ARG 84 - HG3 GLU 40 lone 5 92 - 6 - 1256/3.0=1, 1263/1.8=1 Peak 1271 from cnoeabs.peaks (2.04, 2.39, 35.29 ppm; 3.46 A): 2 out of 6 assignments used, quality = 1.00: * HB3 GLU 40 + HG3 GLU 40 OK 100 100 - 100 - 3.0=100 HG3 ARG 135 + HG3 GLU 40 OK 51 98 - 52 - 1264/1.8=9, 1250/3.0=9...(16) HB3 GLU 55 - HG3 GLU 40 OK 41 87 - 47 - 1.8/1713=7, 1719=7...(16) HB3 GLU 91 - HG3 GLU 40 lone 7 98 - 7 - 1264/1.8=1, 1250/3.0=1 QE MET 11 - HG3 GLU 40 lone 2 92 - 2 - HG2 PRO 58 - HG3 GLU 40 lone 1 65 - 1 - Peak 1272 from cnoeabs.peaks (2.31, 2.39, 35.29 ppm; 2.50 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 40 + HG3 GLU 40 OK 100 100 - 100 - 1.8=100 HG3 GLN 68 - HG3 GLU 40 lone 2 65 - 3 - Peak 1273 from cnoeabs.peaks (2.39, 2.39, 35.29 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 40 + HG3 GLU 40 OK 100 100 - 100 Peak 1274 from cnoeabs.peaks (7.89, 2.39, 35.29 ppm; 4.99 A): 2 out of 4 assignments used, quality = 0.93: * H ALA 41 + HG3 GLU 40 OK 90 100 - 90 - 6472/1.8=30, 6473=29...(10) H SER 106 + HG3 GLU 40 OK 32 81 - 40 - 4.3/11457=23...(7) H GLN 104 - HG3 GLU 40 OK 26 92 - 28 - 10070/11457=9...(7) H GLU 128 - HG3 GLU 40 OK 22 87 - 25 - 1243/3.9=5, 1267/1.8=5...(5) Peak 1275 from cnoeabs.peaks (7.89, 3.91, 54.68 ppm; 3.97 A): 1 out of 4 assignments used, quality = 1.00: * H ALA 41 + HA ALA 41 OK 100 100 - 100 - 2.9=100 H GLU 128 - HA ALA 41 OK 18 87 - 21 - 3.6/1281=4, 6482/3.6=4...(6) H GLN 104 - HA ALA 41 lone 9 92 - 10 - 3.6/10935=2, 1282/2.1=2...(5) H SER 106 - HA ALA 41 lone 3 81 - 4 - 1243/4.9=1 Peak 1276 from cnoeabs.peaks (3.91, 3.91, 54.68 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 41 + HA ALA 41 OK 100 100 - 100 Peak 1277 from cnoeabs.peaks (1.17, 3.91, 54.68 ppm; 3.18 A): 1 out of 3 assignments used, quality = 1.00: * QB ALA 41 + HA ALA 41 OK 100 100 - 100 - 2.1=100 QG2 THR 18 - HA ALA 41 OK 12 100 - 12 - 6475/2.9=3, 9056/4.9=3...(4) HG12 ILE 32 - HA ALA 41 lone 7 73 - 10 - ~9070=2, 6475/2.9=1, 9056/4.9=1 Peak 1278 from cnoeabs.peaks (7.49, 3.91, 54.68 ppm; 4.96 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 42 + HA ALA 41 OK 100 100 - 100 - 3.6=100 H GLN 134 + HA ALA 41 OK 59 100 - 59 - 10606/2.1=26...(10) HE22 GLN 127 - HA ALA 41 lone 5 65 - 8 - 6476/2.9=5, 1285/2.1=1 Peak 1279 from cnoeabs.peaks (8.33, 3.91, 54.68 ppm; 4.44 A): 1 out of 3 assignments used, quality = 0.84: * H GLU 44 + HA ALA 41 OK 84 100 - 85 - 6515=33, 6492/3.6=23...(11) H ALA 28 - HA ALA 41 poor 9 87 - 10 - 6492/3.6=3, 1424/9064=2...(4) H LYS 86 - HA ALA 41 lone 6 81 - 8 - 6492/3.6=3, ~9818=1 Peak 1280 from cnoeabs.peaks (2.02, 3.91, 54.68 ppm; 3.87 A): 3 out of 9 assignments used, quality = 0.84: * HB2 GLU 44 + HA ALA 41 OK 71 100 - 71 - 1401=29, 1.8/1409=22...(8) HB2 GLN 134 + HA ALA 41 OK 35 98 - 36 - 1.8/9065=9, 4267/3.6=8...(8) HG2 ARG 90 + HA ALA 41 OK 19 100 - 19 - 11845/2.1=14, ~10931=2 HG2 PRO 58 - HA ALA 41 lone 8 98 - 8 - 1412/1409=2, 1.8/1281=2...(4) HG3 ARG 135 - HA ALA 41 poor 8 65 - 13 - ~6470=3, 6471/2.9=3...(4) HB3 GLU 30 - HA ALA 41 lone 6 96 - 7 - 3.0/9065=2 HB VAL 63 - HA ALA 41 lone 4 99 - 4 - ~9070=1 HB3 MET 11 - HA ALA 41 lone 1 100 - 1 - HB3 GLU 91 - HA ALA 41 lone 1 65 - 2 - Peak 1281 from cnoeabs.peaks (2.08, 3.91, 54.68 ppm; 3.95 A): 3 out of 6 assignments used, quality = 0.86: * HB3 GLU 44 + HA ALA 41 OK 72 100 - 73 - 1409=29, 1.8/1401=23...(8) HG3 GLN 134 + HA ALA 41 OK 33 96 - 35 - 2.9/9065=8, 4295/3.6=8...(8) HB2 GLU 128 + HA ALA 41 OK 24 98 - 24 - 4088/2.9=7, ~4096=4...(6) HG3 PRO 58 - HA ALA 41 lone 7 87 - 8 - 1.8/1280=2, 1405/1401=2...(4) HB2 GLU 102 - HA ALA 41 lone 4 96 - 4 - 6527/1279=1 HB3 LYS 39 - HA ALA 41 lone 4 100 - 4 - Peak 1282 from cnoeabs.peaks (7.89, 1.17, 17.90 ppm; 3.13 A): 1 out of 4 assignments used, quality = 1.00: * H ALA 41 + QB ALA 41 OK 100 100 - 100 - 3.0=100 H GLU 128 - QB ALA 41 poor 9 87 - 10 - 1275/2.1=3, 6482/3.7=2...(4) H GLN 104 - QB ALA 41 lone 5 92 - 6 - 1275/2.1=2 H SER 106 - QB ALA 41 lone 2 81 - 3 - Peak 1283 from cnoeabs.peaks (3.91, 1.17, 17.90 ppm; 3.10 A): 1 out of 7 assignments used, quality = 1.00: * HA ALA 41 + QB ALA 41 OK 100 100 - 100 - 2.1=100 HB2 SER 60 - QB ALA 41 OK 23 100 - 23 - 3.0/10933=14, 6474/3.0=3...(6) HB3 SER 60 - QB ALA 41 OK 23 100 - 23 - 3.0/10933=14, 6474/3.0=3...(6) HB2 SER 33 - QB ALA 41 lone 3 99 - 3 - HA3 GLY 75 - QB ALA 41 lone 2 87 - 2 - HB2 SER 94 - QB ALA 41 lone 1 81 - 1 - HA2 GLY 14 - QB ALA 41 lone 1 65 - 1 - Peak 1284 from cnoeabs.peaks (1.17, 1.17, 17.90 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 41 + QB ALA 41 OK 100 100 - 100 Peak 1285 from cnoeabs.peaks (7.49, 1.17, 17.90 ppm; 3.57 A): 2 out of 3 assignments used, quality = 0.95: * H LEU 42 + QB ALA 41 OK 92 100 - 92 - 3.7=89, 2.8/9073=12...(7) H GLN 134 + QB ALA 41 OK 38 100 - 38 - 10606=12, 6.9/9062=7...(8) HE22 GLN 127 - QB ALA 41 lone 3 65 - 4 - 6476/3.0=3 Peak 1286 from cnoeabs.peaks (7.49, 3.48, 59.85 ppm; 4.53 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 42 + HA LEU 42 OK 100 100 - 100 - 2.8=100 H GLN 134 + HA LEU 42 OK 61 100 - 61 - 1331/3.9=13, 1323/4.1=11...(10) HE22 GLN 127 - HA LEU 42 lone 5 65 - 8 - 6498/3.6=1, ~7828=1 Peak 1287 from cnoeabs.peaks (3.48, 3.48, 59.85 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 42 + HA LEU 42 OK 100 100 - 100 Peak 1288 from cnoeabs.peaks (1.38, 3.48, 59.85 ppm; 4.44 A): 1 out of 13 assignments used, quality = 1.00: * HB2 LEU 42 + HA LEU 42 OK 100 100 - 100 - 3.0=100 HB2 LEU 96 - HA LEU 42 OK 30 99 - 31 - 1333/3.9=5, 1309/3.0=5...(11) HB3 LEU 100 - HA LEU 42 OK 18 100 - 18 - 6500/3.6=3, 1309/3.0=2...(7) QB ALA 28 - HA LEU 42 poor 9 92 - 10 - ~6492=2, 6500/3.6=2...(4) HG2 LYS 36 - HA LEU 42 lone 8 99 - 8 - 1309/3.0=1, 6486/2.8=1 QB ALA 15 - HA LEU 42 lone 7 96 - 8 - 1333/3.9=1, 1309/3.0=1...(4) HG2 LYS 24 - HA LEU 42 lone 7 100 - 6 - 1333/3.9=1 HG3 LYS 95 - HA LEU 42 lone 6 81 - 8 - 1309/3.0=1 QB ALA 29 - HA LEU 42 lone 6 99 - 6 - 6486/2.8=1 HG3 LYS 26 - HA LEU 42 lone 5 98 - 5 - HG2 LYS 95 - HA LEU 42 lone 5 65 - 7 - QB ALA 110 - HA LEU 42 lone 4 96 - 4 - QB ALA 108 - HA LEU 42 lone 3 87 - 4 - Peak 1289 from cnoeabs.peaks (1.54, 3.48, 59.85 ppm; 4.41 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 42 + HA LEU 42 OK 100 100 - 100 - 3.0=100 HB2 LEU 119 - HA LEU 42 OK 38 100 - 38 - 1301/3.0=7, 1318/3.7=6...(11) HB2 LEU 22 - HA LEU 42 OK 38 100 - 37 - 1301/3.0=7, 6487/2.8=6...(11) Peak 1290 from cnoeabs.peaks (1.49, 3.48, 59.85 ppm; 4.08 A): 1 out of 2 assignments used, quality = 1.00: * HG LEU 42 + HA LEU 42 OK 100 100 - 100 - 3.7=100 QB ALA 52 - HA LEU 42 OK 27 81 - 33 - 1302/3.0=7, 1311/3.0=7...(6) Peak 1291 from cnoeabs.peaks (0.63, 3.48, 59.85 ppm; 4.47 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 42 + HA LEU 42 OK 100 100 - 100 - 4.1=100 QD1 ILE 129 - HA LEU 42 OK 40 81 - 49 - 1320/3.7=11, 1312/3.0=11...(6) Peak 1292 from cnoeabs.peaks (0.56, 3.48, 59.85 ppm; 4.48 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 42 + HA LEU 42 OK 100 100 - 100 - 3.9=100 Peak 1293 from cnoeabs.peaks (8.29, 3.48, 59.85 ppm; 5.00 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 43 + HA LEU 42 OK 100 100 - 100 - 3.6=100 H VAL 126 - HA LEU 42 OK 30 98 - 31 - 1330/4.1=7, 6491/2.8=6...(7) H GLU 40 - HA LEU 42 OK 29 81 - 36 - 6480/2.8=11, ~6481=10...(7) H SER 99 - HA LEU 42 OK 25 96 - 26 - 1338/3.9=5, 1305/3.0=4...(8) Peak 1294 from cnoeabs.peaks (7.69, 3.48, 59.85 ppm; 6.28 A): 2 out of 2 assignments used, quality = 0.94: * H CYS 45 + HA LEU 42 OK 93 100 - 93 - 3.5/1439=41, 6534=39...(9) H GLN 101 + HA LEU 42 OK 10 65 - 15 - 4.6/1288=3, 7407/3.6=3...(7) Peak 1295 from cnoeabs.peaks (2.94, 3.48, 59.85 ppm; 4.92 A): 1 out of 4 assignments used, quality = 0.77: * HB2 CYS 45 + HA LEU 42 OK 77 100 - 77 - 1439=38, 1.8/1445=28...(10) HG CYS 73 - HA LEU 42 poor 10 87 - 11 - 9097/3.9=7, 9089/3.7=2 HD2 ARG 135 - HA LEU 42 lone 9 96 - 10 - 9097/3.9=3, 1448/1445=3 HB3 ASN 116 - HA LEU 42 lone 1 65 - 2 - Peak 1296 from cnoeabs.peaks (3.13, 3.48, 59.85 ppm; 5.97 A): 2 out of 3 assignments used, quality = 0.92: * HB3 CYS 45 + HA LEU 42 OK 87 100 - 87 - 1445=50, 1.8/1439=47...(7) HB3 TYR 76 + HA LEU 42 OK 37 100 - 37 - 9635/4.1=31, 1443/1439=4...(4) HB2 HIS 8 - HA LEU 42 lone 4 98 - 4 - Peak 1298 from cnoeabs.peaks (7.49, 1.38, 42.33 ppm; 5.49 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 42 + HB2 LEU 42 OK 100 100 - 100 - 4.0=100 H GLN 134 + HB2 LEU 42 OK 71 100 - 71 - 1331/3.1=19, 1323/3.2=18...(8) HE22 GLN 127 - HB2 LEU 42 lone 6 65 - 9 - 1307/1.8=1, 1286/3.0=1...(6) Peak 1299 from cnoeabs.peaks (3.48, 1.38, 42.33 ppm; 5.86 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 42 + HB2 LEU 42 OK 100 100 - 100 - 3.0=100 Peak 1300 from cnoeabs.peaks (1.38, 1.38, 42.33 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 42 + HB2 LEU 42 OK 100 100 - 100 Peak 1301 from cnoeabs.peaks (1.54, 1.38, 42.33 ppm; 4.90 A): 3 out of 3 assignments used, quality = 1.00: * HB3 LEU 42 + HB2 LEU 42 OK 100 100 - 100 - 1.8=100 HB2 LEU 119 + HB2 LEU 42 OK 48 100 - 48 - 1318/3.0=8, 1289/3.0=8...(11) HB2 LEU 22 + HB2 LEU 42 OK 48 100 - 47 - 1334/3.1=8, 1318/3.0=8...(11) Peak 1302 from cnoeabs.peaks (1.49, 1.38, 42.33 ppm; 4.54 A): 1 out of 2 assignments used, quality = 1.00: * HG LEU 42 + HB2 LEU 42 OK 100 100 - 100 - 3.0=100 QB ALA 52 - HB2 LEU 42 OK 38 81 - 47 - 1311/1.8=9, 1327/3.2=8...(10) Peak 1303 from cnoeabs.peaks (0.63, 1.38, 42.33 ppm; 5.00 A): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 42 + HB2 LEU 42 OK 100 100 - 100 - 3.2=100 QD1 ILE 129 + HB2 LEU 42 OK 67 81 - 83 - ~10486=23, ~9083=19...(14) Peak 1304 from cnoeabs.peaks (0.56, 1.38, 42.33 ppm; 5.63 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 42 + HB2 LEU 42 OK 100 100 - 100 - 3.1=100 Peak 1305 from cnoeabs.peaks (8.29, 1.38, 42.33 ppm; 5.91 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 43 + HB2 LEU 42 OK 100 100 - 100 - 4.6=100 H GLU 40 - HB2 LEU 42 OK 37 81 - 46 - 3.6/1147=16, 6480/4.0=11...(6) H VAL 126 - HB2 LEU 42 OK 36 98 - 37 - 1330/3.2=10, 1314/1.8=7...(6) H SER 99 - HB2 LEU 42 OK 35 96 - 36 - 1338/3.1=7, 1314/1.8=6...(10) Peak 1307 from cnoeabs.peaks (7.49, 1.54, 42.33 ppm; 5.27 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 42 + HB3 LEU 42 OK 100 100 - 100 - 4.0=100 H GLN 134 + HB3 LEU 42 OK 69 100 - 69 - 1331/3.1=18, 1323/3.2=17...(8) HE22 GLN 127 - HB3 LEU 42 lone 6 65 - 8 - 1298/1.8=1, 1286/3.0=1...(5) Peak 1308 from cnoeabs.peaks (3.48, 1.54, 42.33 ppm; 5.77 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 42 + HB3 LEU 42 OK 100 100 - 100 - 3.0=100 Peak 1309 from cnoeabs.peaks (1.38, 1.54, 42.33 ppm; 4.68 A): 1 out of 13 assignments used, quality = 1.00: * HB2 LEU 42 + HB3 LEU 42 OK 100 100 - 100 - 1.8=100 HB2 LEU 96 - HB3 LEU 42 OK 40 99 - 40 - ~11354=7, 1333/3.1=7...(12) HB3 LEU 100 - HB3 LEU 42 OK 19 100 - 20 - 1288/3.0=3, 6500/4.6=3...(11) HG2 LYS 36 - HB3 LEU 42 OK 10 99 - 10 - 1325/3.2=1, 1288/3.0=1...(5) QB ALA 15 - HB3 LEU 42 poor 10 96 - 10 - 1333/3.1=2, 1325/3.2=2...(4) QB ALA 28 - HB3 LEU 42 lone 9 92 - 10 - 6500/4.6=2, 1288/3.0=2...(5) HG3 LYS 95 - HB3 LEU 42 poor 9 81 - 11 - 1333/3.1=1, 1325/3.2=1...(4) HG2 LYS 24 - HB3 LEU 42 lone 8 100 - 7 - 1333/3.1=1, 1325/3.2=1 QB ALA 29 - HB3 LEU 42 lone 7 99 - 7 - 1288/3.0=1 HG2 LYS 95 - HB3 LEU 42 poor 7 65 - 10 - ~9085=1 HG3 LYS 26 - HB3 LEU 42 lone 6 98 - 6 - QB ALA 110 - HB3 LEU 42 lone 4 96 - 4 - QB ALA 108 - HB3 LEU 42 lone 3 87 - 4 - Peak 1310 from cnoeabs.peaks (1.54, 1.54, 42.33 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 42 + HB3 LEU 42 OK 100 100 - 100 Peak 1311 from cnoeabs.peaks (1.49, 1.54, 42.33 ppm; 3.13 A): 1 out of 2 assignments used, quality = 1.00: * HG LEU 42 + HB3 LEU 42 OK 100 100 - 100 - 3.0=100 QB ALA 52 - HB3 LEU 42 OK 21 81 - 25 - 1302/1.8=5, 1335/3.1=4...(9) Peak 1312 from cnoeabs.peaks (0.63, 1.54, 42.33 ppm; 4.89 A): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 42 + HB3 LEU 42 OK 100 100 - 100 - 3.2=100 QD1 ILE 129 + HB3 LEU 42 OK 65 81 - 81 - ~10486=22, ~9083=18...(13) Peak 1313 from cnoeabs.peaks (0.56, 1.54, 42.33 ppm; 5.23 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 42 + HB3 LEU 42 OK 100 100 - 100 - 3.1=100 Peak 1314 from cnoeabs.peaks (8.29, 1.54, 42.33 ppm; 5.16 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 43 + HB3 LEU 42 OK 100 100 - 100 - 4.6=100 H GLU 40 - HB3 LEU 42 OK 37 81 - 46 - 3.6/1148=24, 6480/4.0=9...(6) H VAL 126 - HB3 LEU 42 OK 30 98 - 30 - 1330/3.2=8, 1293/3.0=6...(6) H SER 99 - HB3 LEU 42 OK 25 96 - 26 - 1338/3.1=6, 1305/1.8=5...(6) Peak 1315 from cnoeabs.peaks (7.49, 1.49, 28.46 ppm; 5.61 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 42 + HG LEU 42 OK 100 100 - 100 - 4.6=100 H GLN 134 + HG LEU 42 OK 77 100 - 77 - 1331/2.1=22...(8) HE22 GLN 127 - HG LEU 42 lone 6 65 - 8 - 1298/3.0=1, 1286/3.7=1...(5) Peak 1316 from cnoeabs.peaks (3.48, 1.49, 28.46 ppm; 4.52 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 42 + HG LEU 42 OK 100 100 - 100 - 3.7=100 Peak 1317 from cnoeabs.peaks (1.38, 1.49, 28.46 ppm; 6.80 A): 2 out of 13 assignments used, quality = 1.00: * HB2 LEU 42 + HG LEU 42 OK 100 100 - 100 - 3.0=100 HB2 LEU 96 + HG LEU 42 OK 56 99 - 57 - ~11354=17, 1333/2.1=8...(13) HB3 LEU 100 - HG LEU 42 OK 28 100 - 28 - 1288/3.7=4, 1309/3.0=4...(12) QB ALA 15 - HG LEU 42 OK 16 96 - 17 - ~11802=4, 1309/3.0=2...(6) HG2 LYS 36 - HG LEU 42 OK 14 99 - 14 - 1309/3.0=2, 1325/2.1=2...(5) HG3 LYS 95 - HG LEU 42 OK 14 81 - 17 - ~9085=2, 1309/3.0=2...(9) QB ALA 28 - HG LEU 42 OK 13 92 - 14 - 6486/4.6=2, 1288/3.7=2...(6) HG2 LYS 24 - HG LEU 42 OK 12 100 - 12 - 1325/2.1=2, 1309/3.0=2...(5) QB ALA 29 - HG LEU 42 OK 12 99 - 12 - 1309/3.0=1, 1288/3.7=1...(6) HG2 LYS 95 - HG LEU 42 OK 11 65 - 17 - ~9085=2, ~1309=2...(8) HG3 LYS 26 - HG LEU 42 OK 10 98 - 10 - 1309/3.0=1, 1288/3.7=1...(4) QB ALA 110 - HG LEU 42 lone 7 96 - 7 - QB ALA 108 - HG LEU 42 lone 6 87 - 7 - Peak 1318 from cnoeabs.peaks (1.54, 1.49, 28.46 ppm; 4.25 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 42 + HG LEU 42 OK 100 100 - 100 - 3.0=100 HB2 LEU 119 - HG LEU 42 OK 36 100 - 36 - 1326/2.1=8, 1334/2.1=7...(11) HB2 LEU 22 - HG LEU 42 OK 36 100 - 35 - 1334/2.1=8, 1326/2.1=7...(11) Peak 1319 from cnoeabs.peaks (1.49, 1.49, 28.46 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 42 + HG LEU 42 OK 100 100 - 100 Peak 1320 from cnoeabs.peaks (0.63, 1.49, 28.46 ppm; 4.15 A): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 42 + HG LEU 42 OK 100 100 - 100 - 2.1=100 QD1 ILE 129 + HG LEU 42 OK 59 81 - 74 - ~10486=21, ~9083=17...(13) Peak 1321 from cnoeabs.peaks (0.56, 1.49, 28.46 ppm; 4.03 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 42 + HG LEU 42 OK 100 100 - 100 - 2.1=100 Peak 1323 from cnoeabs.peaks (7.49, 0.63, 27.44 ppm; 4.35 A): 2 out of 3 assignments used, quality = 0.99: * H LEU 42 + QD1 LEU 42 OK 97 100 - 97 - 4.6=83, 6490/2.1=35...(11) H GLN 134 + QD1 LEU 42 OK 70 100 - 71 - 3.0/9102=21, 1331/2.1=16...(13) HE22 GLN 127 - QD1 LEU 42 lone 4 65 - 6 - Peak 1324 from cnoeabs.peaks (3.48, 0.63, 27.44 ppm; 4.69 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 42 + QD1 LEU 42 OK 100 100 - 100 - 4.1=100 Peak 1325 from cnoeabs.peaks (1.38, 0.63, 27.44 ppm; 4.00 A): 1 out of 13 assignments used, quality = 1.00: * HB2 LEU 42 + QD1 LEU 42 OK 100 100 - 100 - 3.2=100 HB2 LEU 96 - QD1 LEU 42 OK 34 99 - 34 - 4.4/9994=7, 1.8/11354=7...(11) HB3 LEU 100 - QD1 LEU 42 OK 13 100 - 14 - 1333/2.1=2, 1309/3.2=2...(4) QB ALA 15 - QD1 LEU 42 lone 8 96 - 8 - 1333/2.1=2, 3.7/9103=1, ~11802=1 HG2 LYS 36 - QD1 LEU 42 lone 8 99 - 8 - 4.0/9093=1, 1333/2.1=1 HG2 LYS 24 - QD1 LEU 42 lone 7 100 - 7 - 4.0/9093=1, 1333/2.1=1 HG3 LYS 95 - QD1 LEU 42 lone 7 81 - 8 - 1333/2.1=1 QB ALA 28 - QD1 LEU 42 lone 6 92 - 6 - QB ALA 29 - QD1 LEU 42 lone 5 99 - 5 - HG2 LYS 95 - QD1 LEU 42 lone 5 65 - 8 - HG3 LYS 26 - QD1 LEU 42 lone 5 98 - 5 - QB ALA 110 - QD1 LEU 42 lone 3 96 - 3 - QB ALA 108 - QD1 LEU 42 lone 2 87 - 3 - Peak 1326 from cnoeabs.peaks (1.54, 0.63, 27.44 ppm; 3.81 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 42 + QD1 LEU 42 OK 100 100 - 100 - 3.2=100 HB2 LEU 119 - QD1 LEU 42 OK 30 100 - 30 - 1334/2.1=6, 1318/2.1=6...(10) HB2 LEU 22 - QD1 LEU 42 OK 29 100 - 29 - 1334/2.1=7, 1318/2.1=6...(10) Peak 1327 from cnoeabs.peaks (1.49, 0.63, 27.44 ppm; 3.56 A): 1 out of 2 assignments used, quality = 1.00: * HG LEU 42 + QD1 LEU 42 OK 100 100 - 100 - 2.1=100 QB ALA 52 - QD1 LEU 42 OK 27 81 - 33 - 1335/2.1=7, 1302/3.2=5...(10) Peak 1328 from cnoeabs.peaks (0.63, 0.63, 27.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 42 + QD1 LEU 42 OK 100 100 - 100 Peak 1329 from cnoeabs.peaks (0.56, 0.63, 27.44 ppm; 2.98 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 42 + QD1 LEU 42 OK 100 100 - 100 - 2.1=100 Peak 1330 from cnoeabs.peaks (8.29, 0.63, 27.44 ppm; 4.92 A): 2 out of 4 assignments used, quality = 0.95: * H LEU 43 + QD1 LEU 42 OK 92 100 - 92 - 6504/2.1=45, 6503=33...(11) H VAL 126 + QD1 LEU 42 OK 45 98 - 46 - 4.7/10383=13...(9) H SER 99 - QD1 LEU 42 OK 27 96 - 29 - 1338/2.1=7, 7373/9994=6...(7) H GLU 40 - QD1 LEU 42 OK 25 81 - 32 - 6480/4.6=7, 1338/2.1=6...(6) Peak 1331 from cnoeabs.peaks (7.49, 0.56, 24.08 ppm; 4.40 A): 2 out of 3 assignments used, quality = 0.99: * H LEU 42 + QD2 LEU 42 OK 96 100 - 96 - 4.8=75, 6488/2.1=31...(12) H GLN 134 + QD2 LEU 42 OK 84 100 - 84 - 4.4/10587=30...(14) HE22 GLN 127 - QD2 LEU 42 lone 4 65 - 6 - Peak 1332 from cnoeabs.peaks (3.48, 0.56, 24.08 ppm; 4.15 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 42 + QD2 LEU 42 OK 100 100 - 100 - 3.9=100 Peak 1333 from cnoeabs.peaks (1.38, 0.56, 24.08 ppm; 3.68 A): 1 out of 13 assignments used, quality = 1.00: * HB2 LEU 42 + QD2 LEU 42 OK 100 100 - 100 - 3.1=100 HB2 LEU 96 - QD2 LEU 42 OK 33 99 - 33 - 4.4/9106=13, 1325/2.1=5...(9) HB3 LEU 100 - QD2 LEU 42 OK 11 100 - 11 - 1325/2.1=2, 1309/3.1=2 QB ALA 15 - QD2 LEU 42 lone 8 96 - 8 - 3.7/9105=2, 2.9/11802=1 HG2 LYS 24 - QD2 LEU 42 lone 6 100 - 6 - 4.1/9100=2, 1325/2.1=1 HG3 LYS 95 - QD2 LEU 42 lone 6 81 - 7 - 2.9/9085=1 HG2 LYS 36 - QD2 LEU 42 lone 5 99 - 5 - 1325/2.1=1 QB ALA 28 - QD2 LEU 42 lone 5 92 - 5 - HG2 LYS 95 - QD2 LEU 42 lone 5 65 - 7 - 2.9/9085=1 QB ALA 29 - QD2 LEU 42 lone 4 99 - 4 - HG3 LYS 26 - QD2 LEU 42 lone 4 98 - 4 - QB ALA 110 - QD2 LEU 42 lone 3 96 - 3 - QB ALA 108 - QD2 LEU 42 lone 2 87 - 2 - Peak 1334 from cnoeabs.peaks (1.54, 0.56, 24.08 ppm; 3.60 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 42 + QD2 LEU 42 OK 100 100 - 100 - 3.1=100 HB2 LEU 22 - QD2 LEU 42 OK 30 100 - 30 - 1326/2.1=6, 1318/2.1=5...(10) HB2 LEU 119 - QD2 LEU 42 OK 27 100 - 27 - 1326/2.1=6, 1318/2.1=5...(10) Peak 1335 from cnoeabs.peaks (1.49, 0.56, 24.08 ppm; 3.38 A): 1 out of 2 assignments used, quality = 1.00: * HG LEU 42 + QD2 LEU 42 OK 100 100 - 100 - 2.1=100 QB ALA 52 - QD2 LEU 42 OK 25 81 - 31 - 1327/2.1=7, 2.9/9105=6...(10) Peak 1336 from cnoeabs.peaks (0.63, 0.56, 24.08 ppm; 2.88 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 42 + QD2 LEU 42 OK 100 100 - 100 - 2.1=100 QD1 ILE 129 - QD2 LEU 42 OK 39 81 - 48 - 3.0/10486=17, ~9083=7...(15) Peak 1337 from cnoeabs.peaks (0.56, 0.56, 24.08 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 42 + QD2 LEU 42 OK 100 100 - 100 Peak 1338 from cnoeabs.peaks (8.29, 0.56, 24.08 ppm; 4.09 A): 4 out of 4 assignments used, quality = 0.94: * H LEU 43 + QD2 LEU 42 OK 89 100 - 89 - 6504=47, 6502/2.1=24...(13) H SER 99 + QD2 LEU 42 OK 23 96 - 23 - 7373/9106=8, 1330/2.1=4...(7) H VAL 126 + QD2 LEU 42 OK 21 98 - 21 - 1330/2.1=6, 1314/3.1=3...(6) H GLU 40 + QD2 LEU 42 OK 20 81 - 25 - 6480/4.8=5, 1314/3.1=4...(7) Peak 1339 from cnoeabs.peaks (8.29, 3.78, 57.62 ppm; 4.55 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 43 + HA LEU 43 OK 100 100 - 100 - 2.8=100 H GLU 40 + HA LEU 43 OK 56 81 - 69 - ~1245=17, ~1246=14...(14) H VAL 126 - HA LEU 43 OK 38 98 - 38 - 3.7/10941=16, 1383/3.9=5...(10) H SER 99 - HA LEU 43 OK 21 96 - 22 - 6518/3.6=4, 1359/3.0=3...(11) Peak 1340 from cnoeabs.peaks (3.78, 3.78, 57.62 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 43 + HA LEU 43 OK 100 100 - 100 Peak 1341 from cnoeabs.peaks (1.73, 3.78, 57.62 ppm; 4.82 A): 2 out of 2 assignments used, quality = 1.00: * HB2 LEU 43 + HA LEU 43 OK 100 100 - 100 - 3.0=100 HG3 ARG 90 + HA LEU 43 OK 53 92 - 57 - 1361/3.0=12, 1385/3.9=10...(11) Peak 1342 from cnoeabs.peaks (1.28, 3.78, 57.62 ppm; 4.30 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 43 + HA LEU 43 OK 100 100 - 100 - 3.0=100 HG12 ILE 37 - HA LEU 43 OK 42 87 - 49 - 1353/3.0=10, 6507/2.8=8...(10) Peak 1343 from cnoeabs.peaks (1.64, 3.78, 57.62 ppm; 4.49 A): 1 out of 8 assignments used, quality = 1.00: * HG LEU 43 + HA LEU 43 OK 100 100 - 100 - 3.7=100 HG LEU 62 - HA LEU 43 OK 42 92 - 46 - ~11008=8, 1354/3.0=8...(9) HD2 LYS 19 - HA LEU 43 OK 21 87 - 25 - 1387/3.9=4, 1354/3.0=4...(9) HD3 LYS 19 - HA LEU 43 OK 21 87 - 25 - 1387/3.9=4, 1354/3.0=4...(9) HB2 LEU 123 - HA LEU 43 OK 21 81 - 26 - ~3916=4, 6508/2.8=3...(10) HB2 LEU 98 - HA LEU 43 OK 14 65 - 22 - ~3175=4, 6508/2.8=3...(8) HG2 ARG 84 - HA LEU 43 poor 9 87 - 10 - 1354/3.0=1, 1363/3.0=1...(4) HG3 ARG 84 - HA LEU 43 poor 9 87 - 10 - 1354/3.0=1, 1363/3.0=1...(4) Peak 1344 from cnoeabs.peaks (0.70, 3.78, 57.62 ppm; 4.22 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 43 + HA LEU 43 OK 100 100 - 100 - 4.1=100 Peak 1345 from cnoeabs.peaks (0.75, 3.78, 57.62 ppm; 3.69 A): 1 out of 4 assignments used, quality = 0.95: * QD2 LEU 43 + HA LEU 43 OK 95 100 - 95 - 3.9=87, ~6509=16...(8) HG12 ILE 129 - HA LEU 43 OK 32 92 - 35 - 3.2/9731=7, 6510/2.8=6...(8) QG1 VAL 93 - HA LEU 43 OK 32 92 - 35 - 11324/3.7=9, ~11325=6...(8) QD2 LEU 96 - HA LEU 43 OK 12 87 - 14 - 6510/2.8=3, 1356/3.0=2...(7) Peak 1346 from cnoeabs.peaks (8.33, 3.78, 57.62 ppm; 4.83 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 44 + HA LEU 43 OK 100 100 - 100 - 3.6=100 H ALA 28 - HA LEU 43 OK 32 87 - 37 - 6511/2.8=7, 1357/3.0=7...(8) H LYS 86 - HA LEU 43 OK 23 81 - 28 - 1357/3.0=5, 1366/3.0=5...(8) Peak 1347 from cnoeabs.peaks (8.54, 3.78, 57.62 ppm; 5.71 A): 1 out of 2 assignments used, quality = 0.83: * H ALA 46 + HA LEU 43 OK 83 100 - 83 - 6531/3.6=43, 3.1/1348=42...(6) H HIS 5 - HA LEU 43 lone 5 87 - 6 - 6531/3.6=3, 1459/1348=1 Peak 1348 from cnoeabs.peaks (1.34, 3.78, 57.62 ppm; 4.14 A): 1 out of 2 assignments used, quality = 0.56: * QB ALA 46 + HA LEU 43 OK 56 100 - 56 - 9132/3.6=21, 1458=20...(7) QB ALA 21 - HA LEU 43 lone 6 100 - 5 - 9132/3.6=3 Peak 1349 from cnoeabs.peaks (3.84, 1.73, 40.91 ppm; 4.66 A): 2 out of 6 assignments used, quality = 0.96: * HA GLU 40 + HB2 LEU 43 OK 83 100 - 83 - 1245=45, 1246/1.8=30...(12) HA LEU 62 + HB2 LEU 43 OK 73 96 - 76 - ~10995=16, 11804/3.2=14...(15) HA LEU 123 - HB2 LEU 43 OK 29 87 - 33 - 3916/3.9=6, 11804/3.2=5...(12) HB2 SER 50 - HB2 LEU 43 lone 6 96 - 6 - 1358/1.8=2, 6495/3.9=1 HD2 PRO 81 - HB2 LEU 43 lone 5 57 - 8 - ~9127=2, 11805/3.2=2 HB3 SER 33 - HB2 LEU 43 lone 2 57 - 3 - Peak 1350 from cnoeabs.peaks (8.29, 1.73, 40.91 ppm; 4.53 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 43 + HB2 LEU 43 OK 100 100 - 100 - 3.9=100 H GLU 40 + HB2 LEU 43 OK 58 81 - 72 - 2.8/1245=32, ~1246=18...(11) H VAL 126 - HB2 LEU 43 OK 26 98 - 27 - 1339/3.0=6, 1383/3.2=5...(8) H SER 99 - HB2 LEU 43 OK 17 96 - 17 - 1359/1.8=3, 1339/3.0=3...(6) Peak 1351 from cnoeabs.peaks (3.78, 1.73, 40.91 ppm; 5.04 A): 3 out of 3 assignments used, quality = 1.00: * HA LEU 43 + HB2 LEU 43 OK 100 100 - 100 - 3.0=100 HA SER 130 + HB2 LEU 43 OK 83 100 - 83 - ~10509=21, 11747/3.2=19...(21) HB3 SER 130 + HB2 LEU 43 OK 64 81 - 79 - 10509/3.2=27, ~11642=18...(15) Peak 1352 from cnoeabs.peaks (1.73, 1.73, 40.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 43 + HB2 LEU 43 OK 100 100 - 100 Peak 1353 from cnoeabs.peaks (1.28, 1.73, 40.91 ppm; 4.39 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LEU 43 + HB2 LEU 43 OK 100 100 - 100 - 1.8=100 HG12 ILE 37 + HB2 LEU 43 OK 48 87 - 55 - 1342/3.0=10, 1370/3.0=9...(11) Peak 1354 from cnoeabs.peaks (1.64, 1.73, 40.91 ppm; 3.64 A): 2 out of 8 assignments used, quality = 1.00: * HG LEU 43 + HB2 LEU 43 OK 100 100 - 100 - 3.0=100 HG LEU 62 + HB2 LEU 43 OK 50 92 - 55 - ~10995=9, 1379/3.2=6...(16) HD2 LYS 19 - HB2 LEU 43 OK 24 87 - 28 - ~11088=9, 1387/3.2=3...(10) HD3 LYS 19 - HB2 LEU 43 OK 24 87 - 28 - ~11088=9, 1387/3.2=3...(10) HB2 LEU 123 - HB2 LEU 43 OK 17 81 - 21 - 3.0/1349=3, ~11805=2...(10) HG3 ARG 84 - HB2 LEU 43 lone 7 87 - 8 - HG2 ARG 84 - HB2 LEU 43 lone 7 87 - 8 - HB2 LEU 98 - HB2 LEU 43 lone 5 65 - 8 - 6508/3.9=2, 1343/3.0=1 Peak 1355 from cnoeabs.peaks (0.70, 1.73, 40.91 ppm; 4.18 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 43 + HB2 LEU 43 OK 100 100 - 100 - 3.2=100 Peak 1356 from cnoeabs.peaks (0.75, 1.73, 40.91 ppm; 4.00 A): 1 out of 4 assignments used, quality = 1.00: * QD2 LEU 43 + HB2 LEU 43 OK 100 100 - 100 - 3.2=100 HG12 ILE 129 - HB2 LEU 43 OK 44 92 - 48 - ~11635=13, 1365/1.8=8...(13) QG1 VAL 93 - HB2 LEU 43 OK 41 92 - 44 - 11324/3.0=12...(11) QD2 LEU 96 - HB2 LEU 43 OK 15 87 - 17 - 1365/1.8=3, 6510/3.9=3...(6) Peak 1357 from cnoeabs.peaks (8.33, 1.73, 40.91 ppm; 4.73 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 44 + HB2 LEU 43 OK 100 100 - 100 - 4.6=100 H ALA 28 - HB2 LEU 43 OK 30 87 - 35 - 1366/1.8=8, 1390/3.2=7...(7) H LYS 86 - HB2 LEU 43 OK 21 81 - 26 - 1366/1.8=5, 1346/3.0=5...(6) Peak 1358 from cnoeabs.peaks (3.84, 1.28, 40.91 ppm; 5.54 A): 2 out of 6 assignments used, quality = 0.98: * HA GLU 40 + HB3 LEU 43 OK 90 100 - 90 - 1245/1.8=45, 1246=44...(12) HA LEU 62 + HB3 LEU 43 OK 83 96 - 87 - ~10995=23, 11804/3.2=18...(15) HA LEU 123 - HB3 LEU 43 OK 37 87 - 43 - 3916/3.9=7, 1349/1.8=7...(13) HB2 SER 50 - HB3 LEU 43 OK 12 96 - 13 - 11698/1092=3...(6) HD2 PRO 81 - HB3 LEU 43 poor 6 57 - 11 - ~9127=3, 11805/3.2=2...(5) HB3 SER 33 - HB3 LEU 43 lone 3 57 - 5 - Peak 1359 from cnoeabs.peaks (8.29, 1.28, 40.91 ppm; 4.81 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 43 + HB3 LEU 43 OK 100 100 - 100 - 3.9=100 H GLU 40 + HB3 LEU 43 OK 61 81 - 76 - 2.8/1246=27, ~1245=25...(11) H VAL 126 - HB3 LEU 43 OK 28 98 - 28 - 1339/3.0=6, 1383/3.2=6...(7) H SER 99 - HB3 LEU 43 OK 19 96 - 20 - 1350/1.8=4, 1339/3.0=4...(6) Peak 1360 from cnoeabs.peaks (3.78, 1.28, 40.91 ppm; 4.94 A): 3 out of 3 assignments used, quality = 1.00: * HA LEU 43 + HB3 LEU 43 OK 100 100 - 100 - 3.0=100 HA SER 130 + HB3 LEU 43 OK 82 100 - 82 - ~10509=20, 11747/3.2=19...(20) HB3 SER 130 + HB3 LEU 43 OK 62 81 - 77 - 10509/3.2=27, ~11642=17...(14) Peak 1361 from cnoeabs.peaks (1.73, 1.28, 40.91 ppm; 4.32 A): 2 out of 2 assignments used, quality = 1.00: * HB2 LEU 43 + HB3 LEU 43 OK 100 100 - 100 - 1.8=100 HG3 ARG 90 + HB3 LEU 43 OK 50 92 - 54 - 1385/3.2=10, 1377/3.2=10...(11) Peak 1362 from cnoeabs.peaks (1.28, 1.28, 40.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 43 + HB3 LEU 43 OK 100 100 - 100 Peak 1363 from cnoeabs.peaks (1.64, 1.28, 40.91 ppm; 4.76 A): 2 out of 8 assignments used, quality = 1.00: * HG LEU 43 + HB3 LEU 43 OK 100 100 - 100 - 3.0=100 HG LEU 62 + HB3 LEU 43 OK 70 92 - 76 - ~10995=16, ~11089=12...(16) HD2 LYS 19 - HB3 LEU 43 OK 39 87 - 45 - ~11088=17, 1387/3.2=5...(13) HD3 LYS 19 - HB3 LEU 43 OK 39 87 - 45 - ~11088=17, 1387/3.2=5...(13) HB2 LEU 123 - HB3 LEU 43 OK 28 81 - 35 - 3.0/1358=4, ~11805=4...(13) HG3 ARG 84 - HB3 LEU 43 OK 13 87 - 14 - 1354/1.8=2, 1343/3.0=1...(7) HG2 ARG 84 - HB3 LEU 43 OK 13 87 - 14 - 1354/1.8=2, 1343/3.0=1...(7) HB2 LEU 98 - HB3 LEU 43 poor 9 65 - 13 - 6508/3.9=3, 4.6/1359=2...(5) Peak 1364 from cnoeabs.peaks (0.70, 1.28, 40.91 ppm; 4.19 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 43 + HB3 LEU 43 OK 100 100 - 100 - 3.2=100 Peak 1365 from cnoeabs.peaks (0.75, 1.28, 40.91 ppm; 4.20 A): 2 out of 4 assignments used, quality = 1.00: * QD2 LEU 43 + HB3 LEU 43 OK 100 100 - 100 - 3.2=100 HG12 ILE 129 + HB3 LEU 43 OK 46 92 - 50 - ~11635=15, 1356/1.8=9...(13) QG1 VAL 93 - HB3 LEU 43 OK 42 92 - 46 - 11324/3.0=13, ~11325=10...(10) QD2 LEU 96 - HB3 LEU 43 OK 16 87 - 18 - 1356/1.8=3, 6510/3.9=3...(7) Peak 1366 from cnoeabs.peaks (8.33, 1.28, 40.91 ppm; 5.04 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 44 + HB3 LEU 43 OK 100 100 - 100 - 4.6=100 H ALA 28 - HB3 LEU 43 OK 33 87 - 37 - 1357/1.8=9, 1390/3.2=8...(6) H LYS 86 - HB3 LEU 43 OK 22 81 - 27 - 1357/1.8=6, 1346/3.0=5...(6) Peak 1367 from cnoeabs.peaks (8.29, 1.64, 27.00 ppm; 6.80 A): 3 out of 4 assignments used, quality = 1.00: * H LEU 43 + HG LEU 43 OK 100 100 - 100 - 4.6=100 H GLU 40 + HG LEU 43 OK 72 81 - 89 - ~1245=35, ~1246=30...(13) H VAL 126 + HG LEU 43 OK 50 98 - 51 - 3.6/11591=13...(12) H SER 99 - HG LEU 43 OK 27 96 - 28 - 1339/3.7=5, 1359/3.0=5...(7) Peak 1368 from cnoeabs.peaks (3.78, 1.64, 27.00 ppm; 4.86 A): 3 out of 3 assignments used, quality = 1.00: * HA LEU 43 + HG LEU 43 OK 100 100 - 100 - 3.7=100 HA SER 130 + HG LEU 43 OK 86 100 - 86 - ~10509=26, 3.6/10510=23...(17) HB3 SER 130 + HG LEU 43 OK 66 81 - 82 - 10509/2.1=31, ~11642=21...(14) Peak 1369 from cnoeabs.peaks (1.73, 1.64, 27.00 ppm; 2.82 A): 2 out of 2 assignments used, quality = 0.89: * HB2 LEU 43 + HG LEU 43 OK 86 100 - 86 - 3.0=82, 6506/4.6=7...(5) HG3 ARG 90 + HG LEU 43 OK 22 92 - 24 - 1385/2.1=6, 1377/2.1=5...(8) Peak 1370 from cnoeabs.peaks (1.28, 1.64, 27.00 ppm; 4.59 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LEU 43 + HG LEU 43 OK 100 100 - 100 - 3.0=100 HG12 ILE 37 + HG LEU 43 OK 46 87 - 53 - 1378/2.1=12, 1353/3.0=11...(10) Peak 1371 from cnoeabs.peaks (1.64, 1.64, 27.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 43 + HG LEU 43 OK 100 100 - 100 Peak 1372 from cnoeabs.peaks (0.70, 1.64, 27.00 ppm; 4.69 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 43 + HG LEU 43 OK 100 100 - 100 - 2.1=100 Peak 1373 from cnoeabs.peaks (0.75, 1.64, 27.00 ppm; 3.63 A): 1 out of 4 assignments used, quality = 1.00: * QD2 LEU 43 + HG LEU 43 OK 100 100 - 100 - 2.1=100 QG1 VAL 93 - HG LEU 43 OK 42 92 - 46 - 11324=11, 4.3/9225=10...(13) HG12 ILE 129 - HG LEU 43 OK 36 92 - 39 - 2.1/11635=11, 1381/2.1=6...(10) QD2 LEU 96 - HG LEU 43 OK 14 87 - 16 - 1356/3.0=2, 1381/2.1=2...(7) Peak 1374 from cnoeabs.peaks (8.33, 1.64, 27.00 ppm; 5.88 A): 2 out of 3 assignments used, quality = 0.96: * H GLU 44 + HG LEU 43 OK 94 100 - 94 - 6523/2.1=49, 4.6/1369=37...(12) H ALA 28 + HG LEU 43 OK 37 87 - 43 - 1382/2.1=10, 1390/2.1=9...(6) H LYS 86 - HG LEU 43 OK 28 81 - 35 - 1382/2.1=7, 1390/2.1=6...(8) Peak 1375 from cnoeabs.peaks (8.29, 0.70, 25.73 ppm; 4.51 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 43 + QD1 LEU 43 OK 100 100 - 100 - 4.5=100 H GLU 40 + QD1 LEU 43 OK 54 81 - 67 - ~1245=15, ~1246=13...(13) H VAL 126 - QD1 LEU 43 OK 24 98 - 24 - 1383/2.1=6, 1339/4.1=4...(6) H SER 99 - QD1 LEU 43 OK 15 96 - 16 - 1383/2.1=3, 1359/3.2=3...(6) Peak 1376 from cnoeabs.peaks (3.78, 0.70, 25.73 ppm; 4.36 A): 3 out of 3 assignments used, quality = 1.00: * HA LEU 43 + QD1 LEU 43 OK 100 100 - 100 - 4.1=100 HA SER 130 + QD1 LEU 43 OK 74 100 - 74 - ~10509=21, 11747/2.1=19...(14) HB3 SER 130 + QD1 LEU 43 OK 56 81 - 70 - 10509/2.1=27, ~11642=18...(12) Peak 1377 from cnoeabs.peaks (1.73, 0.70, 25.73 ppm; 3.76 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LEU 43 + QD1 LEU 43 OK 100 100 - 100 - 3.2=100 HG3 ARG 90 - QD1 LEU 43 OK 38 92 - 41 - 1385/2.1=10, 1369/2.1=9...(9) Peak 1378 from cnoeabs.peaks (1.28, 0.70, 25.73 ppm; 4.18 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 43 + QD1 LEU 43 OK 100 100 - 100 - 3.2=100 HG12 ILE 37 - QD1 LEU 43 OK 40 87 - 46 - 1370/2.1=10, 1386/2.1=10...(10) Peak 1379 from cnoeabs.peaks (1.64, 0.70, 25.73 ppm; 3.67 A): 2 out of 8 assignments used, quality = 1.00: * HG LEU 43 + QD1 LEU 43 OK 100 100 - 100 - 2.1=100 HG LEU 62 + QD1 LEU 43 OK 62 92 - 68 - 3.0/11806=15...(17) HD2 LYS 19 - QD1 LEU 43 OK 28 87 - 32 - ~11088=13, 1387/2.1=5...(9) HD3 LYS 19 - QD1 LEU 43 OK 28 87 - 32 - ~11088=13, 1387/2.1=5...(9) HB2 LEU 123 - QD1 LEU 43 OK 18 81 - 23 - 3.0/11804=3, ~11805=3...(11) HG3 ARG 84 - QD1 LEU 43 lone 7 87 - 8 - HG2 ARG 84 - QD1 LEU 43 lone 7 87 - 8 - HB2 LEU 98 - QD1 LEU 43 lone 5 65 - 8 - 6508/4.5=2, 4.6/1375=1 Peak 1380 from cnoeabs.peaks (0.70, 0.70, 25.73 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 43 + QD1 LEU 43 OK 100 100 - 100 Peak 1381 from cnoeabs.peaks (0.75, 0.70, 25.73 ppm; 2.64 A): 1 out of 4 assignments used, quality = 1.00: * QD2 LEU 43 + QD1 LEU 43 OK 100 100 - 100 - 2.1=100 HG12 ILE 129 - QD1 LEU 43 OK 19 92 - 21 - ~11635=6, 1373/2.1=3...(9) QG1 VAL 93 - QD1 LEU 43 OK 19 92 - 21 - 11322/11677=5...(9) QD2 LEU 96 - QD1 LEU 43 lone 6 87 - 7 - 1373/2.1=1 Peak 1382 from cnoeabs.peaks (8.33, 0.70, 25.73 ppm; 4.87 A): 2 out of 3 assignments used, quality = 0.95: * H GLU 44 + QD1 LEU 43 OK 93 100 - 93 - 6523=50, 3.9/6509=36...(13) H ALA 28 + QD1 LEU 43 OK 31 87 - 36 - 1390/2.1=8, 1357/3.2=7...(7) H LYS 86 - QD1 LEU 43 OK 22 81 - 27 - 1390/2.1=6, 1374/2.1=5...(7) Peak 1383 from cnoeabs.peaks (8.29, 0.75, 22.33 ppm; 3.75 A): 2 out of 4 assignments used, quality = 0.94: * H LEU 43 + QD2 LEU 43 OK 89 100 - 89 - 4.4=60, 6509/2.1=34...(9) H GLU 40 + QD2 LEU 43 OK 41 81 - 52 - ~1245=10, ~1246=8...(13) H VAL 126 - QD2 LEU 43 OK 23 98 - 24 - 1339/3.9=3, 3.6/11091=3...(9) H SER 99 - QD2 LEU 43 OK 11 96 - 12 - 1375/2.1=2, 1339/3.9=2...(5) Peak 1384 from cnoeabs.peaks (3.78, 0.75, 22.33 ppm; 2.85 A): 3 out of 3 assignments used, quality = 0.88: * HA LEU 43 + QD2 LEU 43 OK 62 100 - 62 - 3.9=40, 2.8/6510=9...(7) HA SER 130 + QD2 LEU 43 OK 50 100 - 50 - 3.0/10509=12, 11747=10...(15) HB3 SER 130 + QD2 LEU 43 OK 36 81 - 44 - 1.8/11642=11, 10509=10...(13) Peak 1385 from cnoeabs.peaks (1.73, 0.75, 22.33 ppm; 3.62 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LEU 43 + QD2 LEU 43 OK 100 100 - 100 - 3.2=100 HG3 ARG 90 - QD2 LEU 43 OK 39 92 - 43 - 1377/2.1=9, 1369/2.1=9...(10) Peak 1386 from cnoeabs.peaks (1.28, 0.75, 22.33 ppm; 3.41 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 43 + QD2 LEU 43 OK 100 100 - 100 - 3.2=100 HG12 ILE 37 - QD2 LEU 43 OK 28 87 - 33 - 1378/2.1=7, 1370/2.1=6...(10) Peak 1387 from cnoeabs.peaks (1.64, 0.75, 22.33 ppm; 3.29 A): 2 out of 8 assignments used, quality = 1.00: * HG LEU 43 + QD2 LEU 43 OK 100 100 - 100 - 2.1=100 HG LEU 62 + QD2 LEU 43 OK 51 92 - 56 - 3.0/11089=13, 3.0/9127=9...(14) HD2 LYS 19 - QD2 LEU 43 OK 29 87 - 33 - 3.0/11088=20, 1379/2.1=3...(8) HD3 LYS 19 - QD2 LEU 43 OK 29 87 - 33 - 3.0/11088=20, 1379/2.1=3...(8) HB2 LEU 123 - QD2 LEU 43 OK 16 81 - 20 - 3.0/11805=5, 1379/2.1=2...(7) HG3 ARG 84 - QD2 LEU 43 lone 6 87 - 6 - HG2 ARG 84 - QD2 LEU 43 lone 6 87 - 6 - HB2 LEU 98 - QD2 LEU 43 lone 4 65 - 6 - 6508/4.4=1 Peak 1388 from cnoeabs.peaks (0.70, 0.75, 22.33 ppm; 2.63 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 43 + QD2 LEU 43 OK 100 100 - 100 - 2.1=100 Peak 1389 from cnoeabs.peaks (0.75, 0.75, 22.33 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 43 + QD2 LEU 43 OK 100 100 - 100 Peak 1390 from cnoeabs.peaks (8.33, 0.75, 22.33 ppm; 3.99 A): 3 out of 3 assignments used, quality = 0.87: * H GLU 44 + QD2 LEU 43 OK 81 100 - 81 - 6523/2.1=29, 6524=22...(10) H ALA 28 + QD2 LEU 43 OK 22 87 - 25 - 1382/2.1=5, 1357/3.2=5...(6) H LYS 86 + QD2 LEU 43 OK 15 81 - 18 - 1382/2.1=4, 1357/3.2=3...(7) Peak 1391 from cnoeabs.peaks (8.33, 4.05, 58.87 ppm; 3.66 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 44 + HA GLU 44 OK 100 100 - 100 - 2.8=100 H ALA 28 - HA GLU 44 OK 19 87 - 22 - 1402/3.0=5, 1410/3.0=5...(6) H LYS 86 - HA GLU 44 OK 10 81 - 13 - 1410/3.0=2, 1402/3.0=2...(7) Peak 1392 from cnoeabs.peaks (4.05, 4.05, 58.87 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 44 + HA GLU 44 OK 100 100 - 100 Peak 1393 from cnoeabs.peaks (2.02, 4.05, 58.87 ppm; 3.35 A): 2 out of 9 assignments used, quality = 1.00: * HB2 GLU 44 + HA GLU 44 OK 100 100 - 100 - 3.0=100 HB2 GLN 134 + HA GLU 44 OK 49 98 - 50 - 1.8/1395=7, 1412/3.0=7...(19) HG2 PRO 58 - HA GLU 44 OK 42 98 - 44 - 1860/3.0=8, 1.8/1394=5...(17) HB3 GLU 30 - HA GLU 44 OK 16 96 - 17 - 3.0/1395=2, 772/3.7=2...(6) HG2 ARG 90 - HA GLU 44 OK 11 100 - 11 - ~6520=3, 6526/2.8=2, 1412/3.0=1 HG3 ARG 135 - HA GLU 44 lone 6 65 - 9 - 11688/4.8=4, 6539/3.6=2 HB3 MET 11 - HA GLU 44 lone 3 100 - 3 - HB VAL 63 - HA GLU 44 lone 3 99 - 3 - HB3 GLU 91 - HA GLU 44 lone 1 65 - 2 - Peak 1394 from cnoeabs.peaks (2.08, 4.05, 58.87 ppm; 3.40 A): 1 out of 6 assignments used, quality = 1.00: * HB3 GLU 44 + HA GLU 44 OK 100 100 - 100 - 3.0=100 HG3 GLN 134 - HA GLU 44 OK 43 96 - 45 - 1405/3.0=6, 2.9/1393=6...(17) HB2 GLU 102 - HA GLU 44 OK 38 96 - 40 - 3334=6, 1.8/3342=5...(18) HG3 PRO 58 - HA GLU 44 OK 38 87 - 44 - 1.8/1393=7, 1405/3.0=6...(17) HB3 LYS 39 - HA GLU 44 OK 14 100 - 14 - 1427/3.7=2, 6527/2.8=2...(9) HB2 GLU 128 - HA GLU 44 lone 7 98 - 7 - Peak 1395 from cnoeabs.peaks (2.34, 4.05, 58.87 ppm; 3.63 A): 1 out of 4 assignments used, quality = 0.98: * HG2 GLU 44 + HA GLU 44 OK 98 100 - 98 - 3.7=94, 1.8/1425=26...(10) HB3 GLN 134 - HA GLU 44 OK 38 73 - 52 - 1.8/1393=8, 1414/3.0=7...(17) HB VAL 77 - HA GLU 44 OK 22 98 - 22 - ~9130=4, 1406/3.0=4...(7) HG3 GLU 30 - HA GLU 44 OK 16 87 - 18 - 1406/3.0=3, 1414/3.0=3...(7) Peak 1396 from cnoeabs.peaks (2.51, 4.05, 58.87 ppm; 3.93 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLU 44 + HA GLU 44 OK 100 100 - 100 - 3.7=100 HB2 ASP 78 - HA GLU 44 OK 19 99 - 19 - 1407/3.0=6, 1415/3.0=6...(4) Peak 1397 from cnoeabs.peaks (7.69, 4.05, 58.87 ppm; 4.35 A): 1 out of 2 assignments used, quality = 1.00: * H CYS 45 + HA GLU 44 OK 100 100 - 100 - 3.6=100 H GLN 101 - HA GLU 44 OK 23 65 - 34 - 3.1/7454=6, 1416/3.0=6...(9) Peak 1398 from cnoeabs.peaks (8.46, 4.05, 58.87 ppm; 4.25 A): 1 out of 2 assignments used, quality = 0.82: * H ASP 47 + HA GLU 44 OK 82 100 - 82 - 6563=36, 4.0/1400=27...(7) H LEU 70 - HA GLU 44 lone 4 73 - 5 - 6547/3.6=2, 6579/6575=1 Peak 1399 from cnoeabs.peaks (2.72, 4.05, 58.87 ppm; 4.05 A): 1 out of 1 assignment used, quality = 0.74: * HB2 ASP 47 + HA GLU 44 OK 74 100 - 74 - 1.8/1400=40, 1471=37...(4) Peak 1400 from cnoeabs.peaks (2.84, 4.05, 58.87 ppm; 3.84 A): 1 out of 2 assignments used, quality = 0.70: * HB3 ASP 47 + HA GLU 44 OK 70 100 - 70 - 1477=36, 1.8/1399=34...(4) HB2 ASN 116 - HA GLU 44 lone 1 73 - 1 - Peak 1401 from cnoeabs.peaks (3.91, 2.02, 28.31 ppm; 3.90 A): 3 out of 7 assignments used, quality = 0.79: * HA ALA 41 + HB2 GLU 44 OK 69 100 - 69 - 1280=23, 1409/1.8=22...(8) HB2 SER 60 + HB2 GLU 44 OK 19 100 - 19 - 1409/1.8=5, 3.0/1902=5...(6) HB3 SER 60 + HB2 GLU 44 OK 19 100 - 19 - 1409/1.8=5, 3.0/1902=5...(6) HB2 SER 33 - HB2 GLU 44 lone 4 99 - 4 - 1409/1.8=1, 6515/3.9=1 HA3 GLY 75 - HB2 GLU 44 lone 4 87 - 4 - 6533/4.7=2, 1409/1.8=1 HB2 SER 94 - HB2 GLU 44 lone 1 81 - 2 - HA2 GLY 14 - HB2 GLU 44 lone 1 65 - 1 - Peak 1402 from cnoeabs.peaks (8.33, 2.02, 28.31 ppm; 3.55 A): 1 out of 3 assignments used, quality = 0.94: * H GLU 44 + HB2 GLU 44 OK 94 100 - 94 - 3.9=73, 1410/1.8=26...(14) H ALA 28 - HB2 GLU 44 OK 20 87 - 23 - 1410/1.8=6, 1424/3.0=5...(6) H LYS 86 - HB2 GLU 44 poor 9 81 - 10 - 1410/1.8=3, 1391/3.0=2...(5) Peak 1403 from cnoeabs.peaks (4.05, 2.02, 28.31 ppm; 3.68 A): 1 out of 5 assignments used, quality = 1.00: * HA GLU 44 + HB2 GLU 44 OK 100 100 - 100 - 3.0=100 HA GLU 102 - HB2 GLU 44 OK 39 99 - 40 - 1411/1.8=10, 1418/3.0=6...(14) HA LEU 122 - HB2 GLU 44 OK 12 100 - 12 - 1411/1.8=3, 1418/3.0=2...(5) HA ALA 92 - HB2 GLU 44 lone 9 100 - 9 - 1411/1.8=2, 1418/3.0=1...(4) HA LEU 96 - HB2 GLU 44 lone 8 81 - 10 - 1411/1.8=2, ~10948=1...(5) Peak 1404 from cnoeabs.peaks (2.02, 2.02, 28.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 44 + HB2 GLU 44 OK 100 100 - 100 Peak 1405 from cnoeabs.peaks (2.08, 2.02, 28.31 ppm; 2.51 A): 1 out of 6 assignments used, quality = 1.00: * HB3 GLU 44 + HB2 GLU 44 OK 100 100 - 100 - 1.8=100 HG3 PRO 58 - HB2 GLU 44 OK 35 87 - 41 - 1867=7, 2.3/1843=4...(19) HG3 GLN 134 - HB2 GLU 44 OK 35 96 - 36 - 2.9/1406=3, 4297=3...(18) HB2 GLU 102 - HB2 GLU 44 OK 18 96 - 19 - 3.0/1403=3, 1394/3.0=2...(9) HB3 LYS 39 - HB2 GLU 44 OK 10 100 - 10 - ~10949=1, ~1152=1...(4) HB2 GLU 128 - HB2 GLU 44 lone 4 98 - 4 - Peak 1406 from cnoeabs.peaks (2.34, 2.02, 28.31 ppm; 3.36 A): 2 out of 4 assignments used, quality = 1.00: * HG2 GLU 44 + HB2 GLU 44 OK 100 100 - 100 - 3.0=100 HB3 GLN 134 + HB2 GLU 44 OK 46 73 - 63 - 1414/1.8=9, ~4272=6...(27) HB VAL 77 - HB2 GLU 44 OK 28 98 - 28 - 1414/1.8=5, ~9141=5...(11) HG3 GLU 30 - HB2 GLU 44 OK 22 87 - 26 - 784=3, 1414/1.8=3...(11) Peak 1407 from cnoeabs.peaks (2.51, 2.02, 28.31 ppm; 3.71 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLU 44 + HB2 GLU 44 OK 100 100 - 100 - 3.0=100 HB2 ASP 78 - HB2 GLU 44 OK 22 99 - 22 - 1415/1.8=7, 1396/3.0=4...(6) Peak 1408 from cnoeabs.peaks (7.69, 2.02, 28.31 ppm; 4.31 A): 1 out of 2 assignments used, quality = 0.98: * H CYS 45 + HB2 GLU 44 OK 98 100 - 98 - 4.7=80, 1416/1.8=34...(13) H GLN 101 - HB2 GLU 44 OK 20 65 - 31 - 1416/1.8=7, 1397/3.0=6...(8) Peak 1409 from cnoeabs.peaks (3.91, 2.08, 28.31 ppm; 4.00 A): 3 out of 7 assignments used, quality = 0.81: * HA ALA 41 + HB3 GLU 44 OK 72 100 - 72 - 1281=25, 1401/1.8=23...(8) HB2 SER 60 + HB3 GLU 44 OK 18 100 - 18 - 1401/1.8=6, ~1401=4...(5) HB3 SER 60 + HB3 GLU 44 OK 18 100 - 18 - 1401/1.8=6, ~1401=4...(5) HB2 SER 33 - HB3 GLU 44 lone 4 99 - 4 - 1401/1.8=1, 6515/3.9=1 HA3 GLY 75 - HB3 GLU 44 lone 4 87 - 5 - 6533/4.7=2, 1401/1.8=1 HB2 SER 94 - HB3 GLU 44 lone 1 81 - 2 - HA2 GLY 14 - HB3 GLU 44 lone 1 65 - 1 - Peak 1410 from cnoeabs.peaks (8.33, 2.08, 28.31 ppm; 3.63 A): 1 out of 3 assignments used, quality = 0.96: * H GLU 44 + HB3 GLU 44 OK 96 100 - 96 - 3.9=77, 1402/1.8=29...(14) H ALA 28 - HB3 GLU 44 OK 21 87 - 25 - 1402/1.8=6, 1424/3.0=5...(6) H LYS 86 - HB3 GLU 44 OK 10 81 - 12 - 1402/1.8=3, 1391/3.0=2...(6) Peak 1411 from cnoeabs.peaks (4.05, 2.08, 28.31 ppm; 3.53 A): 2 out of 5 assignments used, quality = 1.00: * HA GLU 44 + HB3 GLU 44 OK 100 100 - 100 - 3.0=100 HA GLU 102 + HB3 GLU 44 OK 47 99 - 47 - 3325=8, 1403/1.8=8...(18) HA LEU 122 - HB3 GLU 44 OK 13 100 - 13 - 1403/1.8=2, 1418/3.0=2...(5) HA ALA 92 - HB3 GLU 44 lone 9 100 - 8 - 1403/1.8=2, 1418/3.0=1...(4) HA LEU 96 - HB3 GLU 44 lone 8 81 - 10 - 1403/1.8=2, 1418/3.0=1...(5) Peak 1412 from cnoeabs.peaks (2.02, 2.08, 28.31 ppm; 2.66 A): 1 out of 9 assignments used, quality = 1.00: * HB2 GLU 44 + HB3 GLU 44 OK 100 100 - 100 - 1.8=100 HB2 GLN 134 - HB3 GLU 44 OK 45 98 - 46 - 1.8/1414=6, 4272=5...(21) HG2 PRO 58 - HB3 GLU 44 OK 43 98 - 45 - 1860=9, 2.3/1844=5...(19) HB3 GLU 30 - HB3 GLU 44 OK 14 96 - 14 - 772/3.0=2, 3.0/1414=2...(5) HG2 ARG 90 - HB3 GLU 44 lone 7 100 - 7 - HG3 ARG 135 - HB3 GLU 44 lone 3 65 - 4 - 5.0/7977=1 HB3 MET 11 - HB3 GLU 44 lone 3 100 - 2 - HB VAL 63 - HB3 GLU 44 lone 2 99 - 2 - HB3 GLU 91 - HB3 GLU 44 lone 1 65 - 1 - Peak 1413 from cnoeabs.peaks (2.08, 2.08, 28.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 44 + HB3 GLU 44 OK 100 100 - 100 Peak 1414 from cnoeabs.peaks (2.34, 2.08, 28.31 ppm; 3.15 A): 1 out of 4 assignments used, quality = 1.00: * HG2 GLU 44 + HB3 GLU 44 OK 100 100 - 100 - 3.0=100 HB3 GLN 134 - HB3 GLU 44 OK 42 73 - 57 - 1.8/1412=8, 1406/1.8=7...(27) HB VAL 77 - HB3 GLU 44 OK 24 98 - 24 - 1406/1.8=4, ~9141=4...(11) HG3 GLU 30 - HB3 GLU 44 OK 16 87 - 18 - 1406/1.8=4, 1395/3.0=2...(6) Peak 1415 from cnoeabs.peaks (2.51, 2.08, 28.31 ppm; 3.53 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLU 44 + HB3 GLU 44 OK 100 100 - 100 - 3.0=100 HB2 ASP 78 - HB3 GLU 44 OK 20 99 - 20 - 1407/1.8=6, 1396/3.0=4...(6) Peak 1416 from cnoeabs.peaks (7.69, 2.08, 28.31 ppm; 4.11 A): 1 out of 2 assignments used, quality = 0.95: * H CYS 45 + HB3 GLU 44 OK 95 100 - 95 - 4.7=69, 1408/1.8=29...(13) H GLN 101 - HB3 GLU 44 OK 20 65 - 30 - 3.1/7455=6, 1408/1.8=6...(8) Peak 1417 from cnoeabs.peaks (8.33, 2.34, 34.64 ppm; 3.88 A): 1 out of 3 assignments used, quality = 0.94: * H GLU 44 + HG2 GLU 44 OK 94 100 - 94 - 4.8=51, 6529/1.8=35...(13) H ALA 28 - HG2 GLU 44 OK 25 87 - 29 - 2.9/10948=8, 1424/1.8=7...(5) H LYS 86 - HG2 GLU 44 poor 9 81 - 11 - 1424/1.8=3, 1410/3.0=3...(4) Peak 1418 from cnoeabs.peaks (4.05, 2.34, 34.64 ppm; 3.31 A): 2 out of 5 assignments used, quality = 0.93: * HA GLU 44 + HG2 GLU 44 OK 90 100 - 90 - 3.7=72, 1425/1.8=22...(10) HA GLU 102 + HG2 GLU 44 OK 26 99 - 26 - 1425/1.8=7, 1411/3.0=6...(8) HA LEU 122 - HG2 GLU 44 lone 8 100 - 7 - 1425/1.8=2, 1411/3.0=2 HA LEU 96 - HG2 GLU 44 lone 6 81 - 7 - 3.0/10948=2, 1425/1.8=1...(4) HA ALA 92 - HG2 GLU 44 lone 6 100 - 6 - 1425/1.8=2, 1403/3.0=1 Peak 1419 from cnoeabs.peaks (2.02, 2.34, 34.64 ppm; 2.99 A): 1 out of 9 assignments used, quality = 1.00: * HB2 GLU 44 + HG2 GLU 44 OK 100 100 - 100 - 3.0=100 HB2 GLN 134 - HG2 GLU 44 OK 43 98 - 45 - 1426/1.8=6, 1412/3.0=5...(21) HG2 PRO 58 - HG2 GLU 44 OK 36 98 - 37 - 1860/3.0=6, 1426/1.8=6...(16) HB3 GLU 30 - HG2 GLU 44 OK 18 96 - 19 - 772=2, 1426/1.8=2...(7) HG2 ARG 90 - HG2 GLU 44 lone 7 100 - 7 - 1426/1.8=1 HB3 MET 11 - HG2 GLU 44 lone 3 100 - 2 - HB VAL 63 - HG2 GLU 44 lone 2 99 - 2 - HG3 ARG 135 - HG2 GLU 44 lone 2 65 - 3 - HB3 GLU 91 - HG2 GLU 44 lone 1 65 - 1 - Peak 1420 from cnoeabs.peaks (2.08, 2.34, 34.64 ppm; 3.01 A): 1 out of 6 assignments used, quality = 1.00: * HB3 GLU 44 + HG2 GLU 44 OK 100 100 - 100 - 3.0=100 HG3 GLN 134 - HG2 GLU 44 OK 38 96 - 39 - 1427/1.8=6, 2.9/1419=5...(19) HG3 PRO 58 - HG2 GLU 44 OK 32 87 - 37 - 1.8/1419=6, 1427/1.8=5...(16) HB2 GLU 102 - HG2 GLU 44 OK 21 96 - 22 - 3.0/1418=4, 1427/1.8=3...(10) HB3 LYS 39 - HG2 GLU 44 OK 15 100 - 15 - 2.9/10949=5, 1427/1.8=3...(4) HB2 GLU 128 - HG2 GLU 44 lone 5 98 - 5 - Peak 1421 from cnoeabs.peaks (2.34, 2.34, 34.64 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 44 + HG2 GLU 44 OK 100 100 - 100 Peak 1422 from cnoeabs.peaks (2.51, 2.34, 34.64 ppm; 2.50 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLU 44 + HG2 GLU 44 OK 100 100 - 100 - 1.8=100 HB2 ASP 78 - HG2 GLU 44 OK 11 99 - 11 - 1415/3.0=2, 1407/3.0=2...(6) Peak 1423 from cnoeabs.peaks (7.69, 2.34, 34.64 ppm; 5.11 A): 1 out of 2 assignments used, quality = 0.97: * H CYS 45 + HG2 GLU 44 OK 97 100 - 97 - 1430/1.8=38, 1416/3.0=35...(13) H GLN 101 - HG2 GLU 44 OK 23 65 - 35 - 1430/1.8=8, 1416/3.0=7...(7) Peak 1424 from cnoeabs.peaks (8.33, 2.51, 34.64 ppm; 3.64 A): 2 out of 3 assignments used, quality = 0.94: * H GLU 44 + HG3 GLU 44 OK 92 100 - 92 - 4.8=42, 1417/1.8=24...(17) H ALA 28 + HG3 GLU 44 OK 23 87 - 26 - 1417/1.8=6, ~10948=5...(7) H LYS 86 - HG3 GLU 44 poor 8 81 - 10 - 1417/1.8=2, 1410/3.0=2...(4) Peak 1425 from cnoeabs.peaks (4.05, 2.51, 34.64 ppm; 3.43 A): 1 out of 5 assignments used, quality = 0.93: * HA GLU 44 + HG3 GLU 44 OK 93 100 - 94 - 3.7=79, 1418/1.8=25...(10) HA GLU 102 - HG3 GLU 44 OK 28 99 - 28 - 1418/1.8=7, 1411/3.0=7...(9) HA LEU 122 - HG3 GLU 44 lone 8 100 - 8 - 1418/1.8=2, 1411/3.0=2...(4) HA ALA 92 - HG3 GLU 44 lone 6 100 - 6 - 1418/1.8=2, 1403/3.0=1 HA LEU 96 - HG3 GLU 44 lone 6 81 - 7 - ~10948=2, 1418/1.8=2...(4) Peak 1426 from cnoeabs.peaks (2.02, 2.51, 34.64 ppm; 3.26 A): 2 out of 9 assignments used, quality = 1.00: * HB2 GLU 44 + HG3 GLU 44 OK 100 100 - 100 - 3.0=100 HB2 GLN 134 + HG3 GLU 44 OK 49 98 - 50 - 1419/1.8=8, 1.8/1428=7...(21) HG2 PRO 58 - HG3 GLU 44 OK 42 98 - 43 - 1860/3.0=7, 1419/1.8=7...(16) HB3 GLU 30 - HG3 GLU 44 OK 18 96 - 18 - 1419/1.8=3, ~765=2...(6) HG2 ARG 90 - HG3 GLU 44 lone 7 100 - 7 - 1419/1.8=1, 6526/4.8=1 HB3 MET 11 - HG3 GLU 44 lone 3 100 - 3 - HB VAL 63 - HG3 GLU 44 lone 2 99 - 2 - HG3 ARG 135 - HG3 GLU 44 lone 2 65 - 3 - HB3 GLU 91 - HG3 GLU 44 lone 1 65 - 1 - Peak 1427 from cnoeabs.peaks (2.08, 2.51, 34.64 ppm; 3.20 A): 1 out of 6 assignments used, quality = 1.00: * HB3 GLU 44 + HG3 GLU 44 OK 100 100 - 100 - 3.0=100 HG3 GLN 134 - HG3 GLU 44 OK 41 96 - 43 - 1420/1.8=7, 2.9/1426=5...(17) HG3 PRO 58 - HG3 GLU 44 OK 36 87 - 41 - 1.8/1426=6, 1420/1.8=6...(16) HB2 GLU 102 - HG3 GLU 44 OK 24 96 - 25 - 3.0/1425=5, 1420/1.8=4...(11) HB3 LYS 39 - HG3 GLU 44 OK 19 100 - 19 - 3.6/9140=5, ~10949=4...(8) HB2 GLU 128 - HG3 GLU 44 lone 5 98 - 5 - Peak 1428 from cnoeabs.peaks (2.34, 2.51, 34.64 ppm; 2.50 A): 1 out of 4 assignments used, quality = 1.00: * HG2 GLU 44 + HG3 GLU 44 OK 100 100 - 100 - 1.8=100 HB3 GLN 134 - HG3 GLU 44 OK 22 73 - 30 - 1.8/1426=4, 1414/3.0=3...(14) HB VAL 77 - HG3 GLU 44 OK 15 98 - 16 - 2.1/9141=3, 1414/3.0=2...(8) HG3 GLU 30 - HG3 GLU 44 lone 9 87 - 10 - 1406/3.0=2, 1414/3.0=1 Peak 1429 from cnoeabs.peaks (2.51, 2.51, 34.64 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 44 + HG3 GLU 44 OK 100 100 - 100 Peak 1430 from cnoeabs.peaks (7.69, 2.51, 34.64 ppm; 4.62 A): 1 out of 2 assignments used, quality = 0.94: * H CYS 45 + HG3 GLU 44 OK 94 100 - 94 - 3.4/6529=32, 1416/3.0=30...(13) H GLN 101 - HG3 GLU 44 OK 19 65 - 29 - 1423/1.8=6, 1416/3.0=6...(6) Peak 1431 from cnoeabs.peaks (7.69, 4.12, 62.50 ppm; 4.46 A): 1 out of 2 assignments used, quality = 1.00: * H CYS 45 + HA CYS 45 OK 100 100 - 100 - 2.8=100 H GLN 101 - HA CYS 45 OK 14 65 - 21 - 1397/4.8=4, 1440/3.0=3...(7) Peak 1432 from cnoeabs.peaks (4.12, 4.12, 62.50 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA CYS 45 + HA CYS 45 OK 100 100 - 100 Peak 1433 from cnoeabs.peaks (2.94, 4.12, 62.50 ppm; 4.66 A): 2 out of 4 assignments used, quality = 1.00: * HB2 CYS 45 + HA CYS 45 OK 100 100 - 100 - 3.0=100 HD2 ARG 135 + HA CYS 45 OK 55 96 - 57 - 3.0/11688=27, 1448/3.0=9...(10) HG CYS 73 - HA CYS 45 lone 8 87 - 10 - 1448/3.0=2, 6555/3.6=2...(5) HB3 ASN 116 - HA CYS 45 lone 3 65 - 4 - 4342/11688=1 Peak 1434 from cnoeabs.peaks (3.13, 4.12, 62.50 ppm; 4.44 A): 1 out of 3 assignments used, quality = 1.00: * HB3 CYS 45 + HA CYS 45 OK 100 100 - 100 - 3.0=100 HB3 TYR 76 - HA CYS 45 OK 34 100 - 34 - 1443/3.0=7, 6545/2.8=7...(7) HB2 HIS 8 - HA CYS 45 lone 7 98 - 7 - 1443/3.0=2, 6545/2.8=2 Peak 1435 from cnoeabs.peaks (8.54, 4.12, 62.50 ppm; 5.73 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 46 + HA CYS 45 OK 100 100 - 100 - 3.6=100 H HIS 5 - HA CYS 45 OK 16 87 - 17 - 1450/3.0=5, 1444/3.0=5...(4) Peak 1436 from cnoeabs.peaks (8.04, 4.12, 62.50 ppm; 4.91 A): 4 out of 5 assignments used, quality = 0.94: * H LEU 48 + HA CYS 45 OK 86 100 - 86 - 6576=27, 6577/3.6=23...(10) H TYR 76 + HA CYS 45 OK 44 99 - 44 - ~9585=12, 7029/3.0=9...(11) H CYS 79 + HA CYS 45 OK 16 99 - 16 - 4.6/7072=3, 6560/3.6=2...(7) H CYS 125 + HA CYS 45 OK 12 99 - 12 - 7775/4.8=3, 6560/3.6=2...(6) H SER 130 - HA CYS 45 lone 4 57 - 6 - 6560/3.6=4 Peak 1437 from cnoeabs.peaks (1.78, 4.12, 62.50 ppm; 4.69 A): 3 out of 3 assignments used, quality = 0.80: * HB2 LEU 48 + HA CYS 45 OK 73 100 - 73 - 1494=26, 1.8/1438=23...(6) HG LEU 100 + HA CYS 45 OK 14 96 - 14 - ~3272=3, ~3264=3...(4) HB3 LEU 98 + HA CYS 45 OK 14 96 - 14 - 1530/9164=4, 6584/6576=3...(5) Peak 1438 from cnoeabs.peaks (1.89, 4.12, 62.50 ppm; 4.50 A): 3 out of 4 assignments used, quality = 0.84: * HB3 LEU 48 + HA CYS 45 OK 70 100 - 70 - 1.8/1437=27, 1503=22...(6) HB2 ARG 135 + HA CYS 45 OK 34 73 - 47 - 2.9/11688=25, 3.7/1433=9...(10) HB3 LEU 123 + HA CYS 45 OK 17 81 - 21 - 3.2/9164=7, ~9163=7...(6) HB2 GLU 40 - HA CYS 45 lone 6 92 - 6 - 1250/11688=3 Peak 1439 from cnoeabs.peaks (3.48, 2.94, 26.22 ppm; 5.41 A): 1 out of 1 assignment used, quality = 0.83: * HA LEU 42 + HB2 CYS 45 OK 83 100 - 83 - 1295=40, 1445/1.8=35...(10) Peak 1440 from cnoeabs.peaks (7.69, 2.94, 26.22 ppm; 4.39 A): 1 out of 2 assignments used, quality = 1.00: * H CYS 45 + HB2 CYS 45 OK 100 100 - 100 - 3.5=100 H GLN 101 - HB2 CYS 45 OK 11 65 - 16 - 1431/3.0=4, 1446/1.8=4...(6) Peak 1441 from cnoeabs.peaks (4.12, 2.94, 26.22 ppm; 4.62 A): 1 out of 4 assignments used, quality = 1.00: * HA CYS 45 + HB2 CYS 45 OK 100 100 - 100 - 3.0=100 HA ILE 80 - HB2 CYS 45 OK 17 98 - 18 - 1447/1.8=5, 6543/3.5=4...(6) HA3 GLY 114 - HB2 CYS 45 lone 10 99 - 10 - 1447/1.8=3, 6543/3.5=2 HA ALA 52 - HB2 CYS 45 lone 2 57 - 3 - Peak 1442 from cnoeabs.peaks (2.94, 2.94, 26.22 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 CYS 45 + HB2 CYS 45 OK 100 100 - 100 Peak 1443 from cnoeabs.peaks (3.13, 2.94, 26.22 ppm; 3.80 A): 1 out of 3 assignments used, quality = 1.00: * HB3 CYS 45 + HB2 CYS 45 OK 100 100 - 100 - 1.8=100 HB3 TYR 76 - HB2 CYS 45 OK 26 100 - 27 - 1434/3.0=5, ~2371=5...(8) HB2 HIS 8 - HB2 CYS 45 lone 6 98 - 5 - 1434/3.0=1, 6545/3.5=1 Peak 1444 from cnoeabs.peaks (8.54, 2.94, 26.22 ppm; 5.05 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 46 + HB2 CYS 45 OK 100 100 - 100 - 4.4=100 H HIS 5 - HB2 CYS 45 OK 13 87 - 14 - 1450/1.8=5, 1435/3.0=4...(4) Peak 1445 from cnoeabs.peaks (3.48, 3.13, 26.22 ppm; 5.95 A): 1 out of 1 assignment used, quality = 0.83: * HA LEU 42 + HB3 CYS 45 OK 83 100 - 83 - 1439/1.8=46, 1296=34...(7) Peak 1446 from cnoeabs.peaks (7.69, 3.13, 26.22 ppm; 4.20 A): 1 out of 2 assignments used, quality = 1.00: * H CYS 45 + HB3 CYS 45 OK 100 100 - 100 - 3.5=100 H GLN 101 - HB3 CYS 45 poor 10 65 - 14 - 1440/1.8=3, 1431/3.0=3...(6) Peak 1447 from cnoeabs.peaks (4.12, 3.13, 26.22 ppm; 4.36 A): 1 out of 4 assignments used, quality = 1.00: * HA CYS 45 + HB3 CYS 45 OK 100 100 - 100 - 3.0=100 HA ILE 80 - HB3 CYS 45 OK 16 98 - 16 - 1441/1.8=5, 6543/3.5=3...(6) HA3 GLY 114 - HB3 CYS 45 lone 9 99 - 8 - 1441/1.8=3, 6543/3.5=2 HA ALA 52 - HB3 CYS 45 lone 1 57 - 3 - Peak 1448 from cnoeabs.peaks (2.94, 3.13, 26.22 ppm; 3.93 A): 1 out of 4 assignments used, quality = 1.00: * HB2 CYS 45 + HB3 CYS 45 OK 100 100 - 100 - 1.8=100 HD2 ARG 135 - HB3 CYS 45 OK 36 96 - 37 - ~11688=10, 1433/3.0=8...(9) HG CYS 73 - HB3 CYS 45 lone 7 87 - 8 - 11071/11072=2, ~9558=1...(4) HB3 ASN 116 - HB3 CYS 45 lone 1 65 - 2 - Peak 1449 from cnoeabs.peaks (3.13, 3.13, 26.22 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 CYS 45 + HB3 CYS 45 OK 100 100 - 100 Peak 1450 from cnoeabs.peaks (8.54, 3.13, 26.22 ppm; 5.66 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 46 + HB3 CYS 45 OK 100 100 - 100 - 4.4=100 H HIS 5 - HB3 CYS 45 OK 15 87 - 17 - 1444/1.8=5, 1435/3.0=5...(4) Peak 1451 from cnoeabs.peaks (8.54, 3.90, 55.49 ppm; 4.37 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 46 + HA ALA 46 OK 100 100 - 100 - 2.9=100 H HIS 5 - HA ALA 46 lone 8 87 - 8 - 1459/2.1=3, 1435/4.8=2 Peak 1452 from cnoeabs.peaks (3.90, 3.90, 55.49 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 46 + HA ALA 46 OK 100 100 - 100 Peak 1453 from cnoeabs.peaks (1.34, 3.90, 55.49 ppm; 3.59 A): 1 out of 2 assignments used, quality = 1.00: * QB ALA 46 + HA ALA 46 OK 100 100 - 100 - 2.1=100 QB ALA 21 - HA ALA 46 OK 12 100 - 12 - 6558/2.9=3, 6568/3.6=3...(5) Peak 1454 from cnoeabs.peaks (8.46, 3.90, 55.49 ppm; 5.65 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 47 + HA ALA 46 OK 100 100 - 100 - 3.6=100 H LEU 70 - HA ALA 46 OK 23 73 - 32 - 3.6/1455=11, 1462/2.1=6...(9) Peak 1455 from cnoeabs.peaks (8.30, 3.90, 55.49 ppm; 5.07 A): 3 out of 5 assignments used, quality = 0.92: * H LEU 49 + HA ALA 46 OK 81 100 - 81 - 6594/3.6=23, 6593=22...(12) H LEU 69 + HA ALA 46 OK 50 96 - 53 - 4.9/9174=26...(9) H ALA 21 + HA ALA 46 OK 20 92 - 22 - 2.9/1453=5, 6573/3.6=4...(6) H ALA 110 - HA ALA 46 lone 8 99 - 8 - 6573/3.6=2, 1572/10951=1 H GLY 111 - HA ALA 46 lone 8 100 - 8 - 6573/3.6=2 Peak 1457 from cnoeabs.peaks (1.92, 3.90, 55.49 ppm; 5.70 A): 2 out of 5 assignments used, quality = 0.77: * HB3 LEU 49 + HA ALA 46 OK 70 100 - 70 - 3.2/10951=23, 1555=20...(8) HB2 MET 11 + HA ALA 46 OK 23 81 - 28 - ~10649=25 HB2 ARG 90 - HA ALA 46 lone 7 98 - 7 - 1575/10951=1, 3.8/7205=1 HB2 PRO 113 - HA ALA 46 lone 5 87 - 6 - 1575/10951=1 HB3 LEU 123 - HA ALA 46 lone 3 46 - 7 - 1575/10951=1 Peak 1458 from cnoeabs.peaks (3.78, 1.34, 16.76 ppm; 3.26 A): 3 out of 3 assignments used, quality = 0.74: * HA LEU 43 + QB ALA 46 OK 43 100 - 43 - 1348=22, 3.6/9132=12...(5) HA SER 130 + QB ALA 46 OK 37 100 - 37 - 3.0/11641=11, 3.6/9190=9...(9) HB3 SER 130 + QB ALA 46 OK 26 81 - 32 - 1.8/11641=12, 4.6/9190=7...(9) Peak 1459 from cnoeabs.peaks (8.54, 1.34, 16.76 ppm; 3.24 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 46 + QB ALA 46 OK 100 100 - 100 - 3.1=100 H HIS 5 - QB ALA 46 lone 6 87 - 7 - 1451/2.1=1, 1444/4.5=1...(4) Peak 1460 from cnoeabs.peaks (3.90, 1.34, 16.76 ppm; 3.15 A): 1 out of 7 assignments used, quality = 1.00: * HA ALA 46 + QB ALA 46 OK 100 100 - 100 - 2.1=100 HB3 SER 50 - QB ALA 46 lone 7 81 - 8 - 6567/3.7=3, ~1600=1...(4) HA3 GLY 75 - QB ALA 46 lone 5 73 - 7 - 3.5/9191=3, 6557/3.1=1 HA LYS 86 - QB ALA 46 lone 2 73 - 3 - HA3 GLY 2 - QB ALA 46 lone 1 99 - 1 - HA2 GLY 2 - QB ALA 46 lone 1 99 - 1 - HB2 SER 94 - QB ALA 46 lone 1 81 - 1 - Peak 1461 from cnoeabs.peaks (1.34, 1.34, 16.76 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 46 + QB ALA 46 OK 100 100 - 100 Peak 1462 from cnoeabs.peaks (8.46, 1.34, 16.76 ppm; 3.51 A): 2 out of 2 assignments used, quality = 0.93: * H ASP 47 + QB ALA 46 OK 92 100 - 92 - 3.7=84, 6566/3.1=24...(10) H LEU 70 + QB ALA 46 OK 13 73 - 18 - 4.9/10953=4...(7) Peak 1463 from cnoeabs.peaks (8.46, 4.34, 56.63 ppm; 3.84 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 47 + HA ASP 47 OK 100 100 - 100 - 2.9=100 H LEU 70 - HA ASP 47 poor 8 73 - 11 - 6579/3.6=3, 1472/3.0=2...(4) Peak 1464 from cnoeabs.peaks (4.34, 4.34, 56.63 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASP 47 + HA ASP 47 OK 100 100 - 100 Peak 1465 from cnoeabs.peaks (2.72, 4.34, 56.63 ppm; 3.57 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 47 + HA ASP 47 OK 100 100 - 100 - 3.0=100 Peak 1466 from cnoeabs.peaks (2.84, 4.34, 56.63 ppm; 3.52 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASP 47 + HA ASP 47 OK 100 100 - 100 - 3.0=100 HB2 ASN 116 - HA ASP 47 lone 3 73 - 3 - Peak 1467 from cnoeabs.peaks (8.04, 4.34, 56.63 ppm; 3.38 A): 2 out of 5 assignments used, quality = 0.95: * H LEU 48 + HA ASP 47 OK 93 100 - 93 - 3.6=85, 6581/3.0=23...(5) H TYR 76 + HA ASP 47 OK 21 99 - 21 - ~11136=8, 1476/3.0=5...(5) H CYS 125 - HA ASP 47 lone 8 99 - 8 - 6572/2.9=2, 1476/3.0=2...(5) H CYS 79 - HA ASP 47 lone 8 99 - 8 - 1483/5.0=3, 6572/2.9=1...(4) H SER 130 - HA ASP 47 lone 2 57 - 4 - ~6562=2, 6572/2.9=1 Peak 1468 from cnoeabs.peaks (8.66, 4.34, 56.63 ppm; 4.51 A): 1 out of 4 assignments used, quality = 0.80: * H SER 50 + HA ASP 47 OK 80 100 - 80 - 6613=37, 3.9/1469=24...(8) H HIS 67 - HA ASP 47 lone 9 98 - 10 - 6590/3.6=4, 6633/6629=1 H SER 60 - HA ASP 47 lone 4 81 - 4 - 6590/3.6=1 H HIS 8 - HA ASP 47 lone 3 99 - 3 - 6590/3.6=1 Peak 1469 from cnoeabs.peaks (3.84, 4.34, 56.63 ppm; 4.51 A): 1 out of 4 assignments used, quality = 0.63: * HB2 SER 50 + HA ASP 47 OK 63 100 - 63 - 1596=24, 1.8/1602=23...(5) HA LEU 62 - HA ASP 47 lone 4 73 - 6 - 6624/6613=1 HA GLU 40 - HA ASP 47 lone 2 96 - 2 - HA LEU 123 - HA ASP 47 lone 1 57 - 2 - Peak 1470 from cnoeabs.peaks (3.89, 4.34, 56.63 ppm; 5.15 A): 3 out of 7 assignments used, quality = 0.94: * HB3 SER 50 + HA ASP 47 OK 79 100 - 79 - 1.8/1469=41, 1602=32...(6) HA ALA 46 + HA ASP 47 OK 69 81 - 85 - ~6568=28, ~1462=28...(10) HA LEU 70 + HA ASP 47 OK 11 81 - 14 - 2.9/1463=3, 2223/2.9=2...(7) HA LYS 86 - HA ASP 47 lone 5 100 - 5 - HA3 GLY 2 - HA ASP 47 lone 5 92 - 5 - HA2 GLY 2 - HA ASP 47 lone 5 92 - 5 - HA2 GLY 114 - HA ASP 47 lone 5 87 - 5 - ~6565=3 Peak 1471 from cnoeabs.peaks (4.05, 2.72, 39.77 ppm; 3.88 A): 2 out of 5 assignments used, quality = 0.78: * HA GLU 44 + HB2 ASP 47 OK 75 100 - 75 - 1399=44, 1400/1.8=37...(4) HA LEU 122 + HB2 ASP 47 OK 10 100 - 10 - 1477/1.8=4, 6575/4.7=4 HA GLU 102 - HB2 ASP 47 lone 8 99 - 7 - 1477/1.8=3, 6575/4.7=2 HA ALA 92 - HB2 ASP 47 lone 5 100 - 5 - 1477/1.8=2, 6575/4.7=1 HA LEU 96 - HB2 ASP 47 lone 2 81 - 3 - Peak 1472 from cnoeabs.peaks (8.46, 2.72, 39.77 ppm; 3.69 A): 1 out of 2 assignments used, quality = 0.93: * H ASP 47 + HB2 ASP 47 OK 93 100 - 93 - 4.0=80, 6571/1.8=39...(5) H LEU 70 - HB2 ASP 47 lone 6 73 - 9 - 1478/1.8=2, 6579/4.7=2 Peak 1473 from cnoeabs.peaks (4.34, 2.72, 39.77 ppm; 3.49 A): 1 out of 4 assignments used, quality = 1.00: * HA ASP 47 + HB2 ASP 47 OK 100 100 - 100 - 3.0=100 HA PRO 81 - HB2 ASP 47 lone 6 87 - 7 - 1479/1.8=2, 6569/4.0=2...(4) HA ASN 59 - HB2 ASP 47 lone 2 65 - 2 - HA LYS 24 - HB2 ASP 47 lone 1 73 - 1 - Peak 1474 from cnoeabs.peaks (2.72, 2.72, 39.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 47 + HB2 ASP 47 OK 100 100 - 100 Peak 1475 from cnoeabs.peaks (2.84, 2.72, 39.77 ppm; 2.73 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASP 47 + HB2 ASP 47 OK 100 100 - 100 - 1.8=100 HB2 ASN 116 - HB2 ASP 47 lone 2 73 - 2 - Peak 1476 from cnoeabs.peaks (8.04, 2.72, 39.77 ppm; 3.90 A): 2 out of 5 assignments used, quality = 0.92: * H LEU 48 + HB2 ASP 47 OK 88 100 - 89 - 4.7=59, 6582/1.8=38...(8) H TYR 76 + HB2 ASP 47 OK 31 99 - 31 - ~11136=15, 1482/1.8=7...(5) H CYS 125 - HB2 ASP 47 lone 10 99 - 10 - 1482/1.8=3, 1467/3.0=2...(4) H CYS 79 - HB2 ASP 47 lone 8 99 - 8 - 1482/1.8=2, 1467/3.0=2...(4) H SER 130 - HB2 ASP 47 lone 3 57 - 5 - 9191/10955=2, 6572/4.0=1 Peak 1477 from cnoeabs.peaks (4.05, 2.84, 39.77 ppm; 3.88 A): 2 out of 5 assignments used, quality = 0.79: * HA GLU 44 + HB3 ASP 47 OK 77 100 - 77 - 1400=49, 1399/1.8=35...(4) HA LEU 122 + HB3 ASP 47 OK 10 100 - 10 - 1471/1.8=4, 6575/4.7=4 HA GLU 102 - HB3 ASP 47 lone 8 99 - 7 - 1471/1.8=3, 6575/4.7=2 HA ALA 92 - HB3 ASP 47 lone 5 100 - 5 - 1471/1.8=2, 6575/4.7=1 HA LEU 96 - HB3 ASP 47 lone 2 81 - 3 - Peak 1478 from cnoeabs.peaks (8.46, 2.84, 39.77 ppm; 3.73 A): 1 out of 2 assignments used, quality = 0.94: * H ASP 47 + HB3 ASP 47 OK 94 100 - 94 - 4.0=83, 6570/1.8=39...(5) H LEU 70 - HB3 ASP 47 lone 7 73 - 9 - 1472/1.8=2, 6579/4.7=2 Peak 1479 from cnoeabs.peaks (4.34, 2.84, 39.77 ppm; 3.72 A): 1 out of 4 assignments used, quality = 1.00: * HA ASP 47 + HB3 ASP 47 OK 100 100 - 100 - 3.0=100 HA PRO 81 - HB3 ASP 47 lone 7 87 - 8 - 1473/1.8=2, 6569/4.0=2...(4) HA ASN 59 - HB3 ASP 47 lone 2 65 - 2 - HA LYS 24 - HB3 ASP 47 lone 1 73 - 1 - Peak 1480 from cnoeabs.peaks (2.72, 2.84, 39.77 ppm; 2.77 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 47 + HB3 ASP 47 OK 100 100 - 100 - 1.8=100 Peak 1481 from cnoeabs.peaks (2.84, 2.84, 39.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 47 + HB3 ASP 47 OK 100 100 - 100 Peak 1482 from cnoeabs.peaks (8.04, 2.84, 39.77 ppm; 4.14 A): 2 out of 5 assignments used, quality = 0.95: * H LEU 48 + HB3 ASP 47 OK 92 100 - 92 - 4.7=71, 6581/1.8=42...(6) H TYR 76 + HB3 ASP 47 OK 31 99 - 31 - 3.0/11136=14, 1476/1.8=9...(5) H CYS 125 - HB3 ASP 47 OK 11 99 - 11 - 1476/1.8=3, 1467/3.0=2...(4) H CYS 79 - HB3 ASP 47 lone 9 99 - 8 - 1476/1.8=2, 1467/3.0=2...(4) H SER 130 - HB3 ASP 47 lone 3 57 - 5 - 9191/10954=2, 6572/4.0=1 Peak 1483 from cnoeabs.peaks (8.04, 4.11, 57.99 ppm; 3.61 A): 1 out of 5 assignments used, quality = 1.00: * H LEU 48 + HA LEU 48 OK 100 100 - 100 - 2.9=100 H CYS 79 - HA LEU 48 OK 45 99 - 45 - 7063=10, 1495/3.0=5...(17) H TYR 76 - HA LEU 48 OK 24 99 - 24 - 1495/3.0=4, 11135/4.0=4...(8) H CYS 125 - HA LEU 48 OK 21 99 - 21 - 1504/3.0=4, 1495/3.0=3...(7) H SER 130 - HA LEU 48 lone 1 57 - 2 - Peak 1484 from cnoeabs.peaks (4.11, 4.11, 57.99 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 48 + HA LEU 48 OK 100 100 - 100 Peak 1485 from cnoeabs.peaks (1.78, 4.11, 57.99 ppm; 3.23 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LEU 48 + HA LEU 48 OK 100 100 - 100 - 3.0=100 HB3 LEU 98 + HA LEU 48 OK 63 96 - 66 - 3169=9, 1506/3.0=9...(27) HG LEU 100 - HA LEU 48 OK 17 96 - 17 - 1506/3.0=3, ~3269=2...(10) Peak 1486 from cnoeabs.peaks (1.89, 4.11, 57.99 ppm; 3.49 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 48 + HA LEU 48 OK 100 100 - 100 - 3.0=100 HB3 LEU 123 - HA LEU 48 OK 29 81 - 36 - 3.2/1489=7, 1498/3.0=6...(10) HB2 ARG 135 - HA LEU 48 OK 17 73 - 24 - 1498/3.0=4, 2.9/1487=3...(11) HB2 GLU 40 - HA LEU 48 OK 10 92 - 11 - 1498/3.0=2, 6585/2.9=1...(6) Peak 1487 from cnoeabs.peaks (1.71, 4.11, 57.99 ppm; 3.38 A): 2 out of 6 assignments used, quality = 0.98: * HG LEU 48 + HA LEU 48 OK 96 100 - 96 - 3.7=76, 2.1/1489=27...(19) HG LEU 98 + HA LEU 48 OK 60 96 - 63 - 3.0/1485=10, 2.1/3185=8...(18) HG2 ARG 135 - HA LEU 48 OK 22 98 - 22 - 1508/3.0=3, 1499/3.0=3...(9) HB2 LEU 70 - HA LEU 48 OK 16 99 - 16 - 6586/2.9=2, 1499/3.0=2...(9) HB3 LEU 70 - HA LEU 48 OK 16 100 - 16 - 6586/2.9=2, 1499/3.0=2...(9) HD3 LYS 39 - HA LEU 48 lone 4 100 - 4 - Peak 1488 from cnoeabs.peaks (0.91, 4.11, 57.99 ppm; 2.81 A): 3 out of 6 assignments used, quality = 0.91: * QD2 LEU 48 + HA LEU 48 OK 81 100 - 81 - 3.8=40, 2.1/1489=20...(20) QD1 LEU 49 + HA LEU 48 OK 42 96 - 44 - 1581=9, 1580/3.6=6...(13) QG1 VAL 20 + HA LEU 48 OK 17 100 - 17 - 353/3.6=3, 6587/2.9=2...(6) QG2 VAL 63 - HA LEU 48 lone 8 99 - 8 - 1500/3.0=1, 1509/3.0=1 QD1 LEU 62 - HA LEU 48 lone 8 92 - 8 - 6608/3.6=1, 6587/2.9=1 QG1 VAL 118 - HA LEU 48 lone 4 65 - 6 - ~11916=2 Peak 1489 from cnoeabs.peaks (0.92, 4.11, 57.99 ppm; 2.81 A): 3 out of 3 assignments used, quality = 0.86: * QD1 LEU 48 + HA LEU 48 OK 80 100 - 80 - 4.0=34, 2.1/1488=15...(19) QD1 LEU 123 + HA LEU 48 OK 26 96 - 27 - 1501/3.0=5, 1510/3.0=5...(7) QG2 VAL 112 + HA LEU 48 OK 10 100 - 10 - 1501/3.0=2, 1510/3.0=2...(5) Peak 1490 from cnoeabs.peaks (8.30, 4.11, 57.99 ppm; 3.65 A): 1 out of 5 assignments used, quality = 1.00: * H LEU 49 + HA LEU 48 OK 100 100 - 100 - 3.6=100 H ALA 21 - HA LEU 48 OK 26 92 - 28 - 1527/3.8=4, 1502/3.0=4...(9) H LEU 69 - HA LEU 48 OK 22 96 - 23 - 6589/2.9=4, 1502/3.0=3...(8) H ALA 110 - HA LEU 48 OK 21 99 - 21 - 11478/4.0=4, 1502/3.0=3...(7) H GLY 111 - HA LEU 48 OK 21 100 - 21 - 3.0/1492=4, 1502/3.0=3...(8) Peak 1491 from cnoeabs.peaks (7.98, 4.11, 57.99 ppm; 3.98 A): 1 out of 3 assignments used, quality = 0.77: * H SER 51 + HA LEU 48 OK 77 100 - 77 - 3.8/1492=21, 6610/3.6=21...(11) H SER 38 - HA LEU 48 lone 7 99 - 7 - 6610/3.6=2, 1616/1492=1 H SER 94 - HA LEU 48 lone 6 73 - 9 - 6610/3.6=2, 1622/1493=2...(4) Peak 1492 from cnoeabs.peaks (3.94, 4.11, 57.99 ppm; 3.64 A): 1 out of 4 assignments used, quality = 0.63: * HB2 SER 51 + HA LEU 48 OK 63 100 - 63 - 1.8/1493=29, 1615=20...(7) HA3 GLY 111 - HA LEU 48 lone 10 98 - 10 - 3.0/1490=3, ~1511=1...(5) HD3 PRO 113 - HA LEU 48 lone 5 92 - 5 - 4.4/1489=2 HD3 PRO 117 - HA LEU 48 lone 0 57 - 1 - Peak 1493 from cnoeabs.peaks (3.98, 4.11, 57.99 ppm; 3.49 A): 1 out of 5 assignments used, quality = 0.60: * HB3 SER 51 + HA LEU 48 OK 60 100 - 60 - 1621=28, 1.8/1492=27...(5) HA VAL 20 - HA LEU 48 poor 10 65 - 15 - 3.2/1488=3, 3.6/1490=3...(7) HB3 SER 106 - HA LEU 48 lone 4 98 - 4 - 11854/3.8=2 HA GLU 91 - HA LEU 48 lone 3 100 - 3 - 6639/1491=1 HB3 SER 94 - HA LEU 48 lone 3 65 - 4 - 3.6/1491=1 Peak 1494 from cnoeabs.peaks (4.12, 1.78, 41.65 ppm; 3.41 A): 4 out of 4 assignments used, quality = 0.67: * HA CYS 45 + HB2 LEU 48 OK 48 100 - 48 - 1437=14, 1503/1.8=12...(6) HA ALA 52 + HB2 LEU 48 OK 16 57 - 27 - 6592/4.6=5, 1503/1.8=4...(9) HA ILE 80 + HB2 LEU 48 OK 14 98 - 14 - 1503/1.8=6, 6576/3.9=4...(4) HA3 GLY 114 + HB2 LEU 48 OK 14 99 - 14 - 1503/1.8=5, 10165/3.1=3...(5) Peak 1495 from cnoeabs.peaks (8.04, 1.78, 41.65 ppm; 3.84 A): 1 out of 5 assignments used, quality = 0.99: * H LEU 48 + HB2 LEU 48 OK 99 100 - 99 - 3.9=95, 6585/1.8=30...(17) H CYS 79 - HB2 LEU 48 OK 35 99 - 35 - 1483/3.0=7, 1504/1.8=7...(8) H TYR 76 - HB2 LEU 48 OK 28 99 - 28 - ~11133=6, 1504/1.8=5...(8) H CYS 125 - HB2 LEU 48 OK 23 99 - 24 - 1504/1.8=6, 1528/3.1=5...(7) H SER 130 - HB2 LEU 48 lone 1 57 - 2 - Peak 1496 from cnoeabs.peaks (4.11, 1.78, 41.65 ppm; 3.41 A): 3 out of 6 assignments used, quality = 1.00: * HA LEU 48 + HB2 LEU 48 OK 100 100 - 100 - 3.0=100 HA LEU 49 + HB2 LEU 48 OK 69 99 - 69 - 2.9/6598=14, 1542/3.1=11...(22) HA LEU 98 + HB2 LEU 48 OK 68 98 - 70 - 3150=14, 3.0/3162=8...(27) HA CYS 79 - HB2 LEU 48 OK 28 98 - 29 - 2.9/1495=4, 1505/1.8=3...(15) HA GLN 101 - HB2 LEU 48 OK 16 87 - 18 - 2.9/7413=4, 4.9/3224=2...(5) HA ILE 32 - HB2 LEU 48 lone 7 100 - 6 - Peak 1497 from cnoeabs.peaks (1.78, 1.78, 41.65 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 48 + HB2 LEU 48 OK 100 100 - 100 Peak 1498 from cnoeabs.peaks (1.89, 1.78, 41.65 ppm; 3.41 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 48 + HB2 LEU 48 OK 100 100 - 100 - 1.8=100 HB3 LEU 123 - HB2 LEU 48 OK 35 81 - 44 - 3.2/1501=7, 1531/3.1=6...(17) HB2 ARG 135 - HB2 LEU 48 OK 23 73 - 31 - 2.9/1499=3, 1531/3.1=3...(16) HB2 GLU 40 - HB2 LEU 48 OK 11 92 - 12 - 1486/3.0=2, 1531/3.1=1...(6) Peak 1499 from cnoeabs.peaks (1.71, 1.78, 41.65 ppm; 2.97 A): 2 out of 6 assignments used, quality = 1.00: * HG LEU 48 + HB2 LEU 48 OK 100 100 - 100 - 3.0=100 HG LEU 98 + HB2 LEU 48 OK 61 96 - 64 - 3179=9, 2.1/3187=9...(26) HG2 ARG 135 - HB2 LEU 48 OK 24 98 - 24 - 1508/1.8=3, 2.9/1498=3...(9) HB2 LEU 70 - HB2 LEU 48 OK 15 99 - 15 - 1508/1.8=2, 1487/3.0=2...(6) HB3 LEU 70 - HB2 LEU 48 OK 15 100 - 14 - 1508/1.8=2, 1487/3.0=2...(6) HD3 LYS 39 - HB2 LEU 48 lone 4 100 - 4 - Peak 1500 from cnoeabs.peaks (0.91, 1.78, 41.65 ppm; 3.24 A): 2 out of 6 assignments used, quality = 1.00: * QD2 LEU 48 + HB2 LEU 48 OK 100 100 - 100 - 3.1=100 QD1 LEU 49 + HB2 LEU 48 OK 47 96 - 49 - 1509/1.8=8, 1488/3.0=8...(17) QG1 VAL 20 - HB2 LEU 48 OK 20 100 - 20 - 1509/1.8=3, 353/4.6=3...(7) QG2 VAL 63 - HB2 LEU 48 OK 12 99 - 12 - 3.2/9399=2, 1509/1.8=2...(5) QD1 LEU 62 - HB2 LEU 48 OK 10 92 - 11 - 1509/1.8=2, 1488/3.0=1...(5) QG1 VAL 118 - HB2 LEU 48 poor 7 65 - 11 - 2.1/11916=6, 1509/1.8=1 Peak 1501 from cnoeabs.peaks (0.92, 1.78, 41.65 ppm; 3.24 A): 1 out of 3 assignments used, quality = 1.00: * QD1 LEU 48 + HB2 LEU 48 OK 100 100 - 100 - 3.1=100 QD1 LEU 123 - HB2 LEU 48 OK 43 96 - 45 - 1510/1.8=9, 1526/3.1=6...(16) QG2 VAL 112 - HB2 LEU 48 OK 15 100 - 15 - 1510/1.8=3, 1489/3.0=3...(6) Peak 1502 from cnoeabs.peaks (8.30, 1.78, 41.65 ppm; 3.79 A): 2 out of 5 assignments used, quality = 0.92: * H LEU 49 + HB2 LEU 48 OK 90 100 - 90 - 4.6=55, 6599/1.8=26...(20) H ALA 21 + HB2 LEU 48 OK 27 92 - 29 - 1527/3.1=6, 1511/1.8=5...(8) H LEU 69 - HB2 LEU 48 OK 23 96 - 24 - 11068/9202=4, 1527/3.1=3...(7) H ALA 110 - HB2 LEU 48 OK 22 99 - 22 - 11478/3.1=5, 1511/1.8=4...(7) H GLY 111 - HB2 LEU 48 OK 19 100 - 19 - 1511/1.8=3, 1490/3.0=3...(7) Peak 1503 from cnoeabs.peaks (4.12, 1.89, 41.65 ppm; 4.00 A): 4 out of 4 assignments used, quality = 0.85: * HA CYS 45 + HB3 LEU 48 OK 63 100 - 63 - 1494/1.8=23, 1438=19...(6) HA ILE 80 + HB3 LEU 48 OK 32 98 - 33 - 4.1/9201=15, 1494/1.8=7...(6) HA3 GLY 114 + HB3 LEU 48 OK 23 99 - 23 - 1494/1.8=7, 10165/3.1=5...(7) HA ALA 52 + HB3 LEU 48 OK 21 57 - 38 - 1494/1.8=8, 6592/4.6=7...(8) Peak 1504 from cnoeabs.peaks (8.04, 1.89, 41.65 ppm; 4.22 A): 1 out of 5 assignments used, quality = 1.00: * H LEU 48 + HB3 LEU 48 OK 100 100 - 100 - 3.9=100 H CYS 79 - HB3 LEU 48 OK 45 99 - 45 - 1483/3.0=8, 1495/1.8=8...(11) H CYS 125 - HB3 LEU 48 OK 38 99 - 38 - 4.5/10958=16, 1528/3.1=5...(8) H TYR 76 - HB3 LEU 48 OK 34 99 - 34 - ~11133=8, 1495/1.8=6...(8) H SER 130 - HB3 LEU 48 lone 1 57 - 2 - Peak 1505 from cnoeabs.peaks (4.11, 1.89, 41.65 ppm; 4.00 A): 3 out of 6 assignments used, quality = 1.00: * HA LEU 48 + HB3 LEU 48 OK 100 100 - 100 - 3.0=100 HA LEU 49 + HB3 LEU 48 OK 80 99 - 80 - 2.9/6599=22, 1542/3.1=14...(20) HA LEU 98 + HB3 LEU 48 OK 73 98 - 74 - 3150/1.8=14, 3.0/1506=13...(24) HA CYS 79 - HB3 LEU 48 OK 37 98 - 38 - 2.9/1504=6, 1496/1.8=4...(15) HA GLN 101 - HB3 LEU 48 OK 15 87 - 17 - ~7413=4, 1496/1.8=3...(7) HA ILE 32 - HB3 LEU 48 lone 8 100 - 8 - 1496/1.8=1 Peak 1506 from cnoeabs.peaks (1.78, 1.89, 41.65 ppm; 3.46 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LEU 48 + HB3 LEU 48 OK 100 100 - 100 - 1.8=100 HB3 LEU 98 + HB3 LEU 48 OK 72 96 - 76 - 1530/3.1=10, 1485/3.0=10...(35) HG LEU 100 - HB3 LEU 48 OK 21 96 - 22 - ~3269=3, ~3261=3...(10) Peak 1507 from cnoeabs.peaks (1.89, 1.89, 41.65 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 48 + HB3 LEU 48 OK 100 100 - 100 Peak 1508 from cnoeabs.peaks (1.71, 1.89, 41.65 ppm; 3.88 A): 2 out of 6 assignments used, quality = 1.00: * HG LEU 48 + HB3 LEU 48 OK 100 100 - 100 - 3.0=100 HG LEU 98 + HB3 LEU 48 OK 78 96 - 82 - 1499/1.8=13, 3.0/1506=12...(29) HG2 ARG 135 - HB3 LEU 48 OK 40 98 - 41 - 1499/1.8=5, 1524/3.1=4...(23) HB3 LEU 70 - HB3 LEU 48 OK 23 100 - 23 - 1499/1.8=3, 1487/3.0=3...(10) HB2 LEU 70 - HB3 LEU 48 OK 23 99 - 23 - 1499/1.8=3, 1487/3.0=3...(10) HD3 LYS 39 - HB3 LEU 48 lone 8 100 - 8 - 1499/1.8=1 Peak 1509 from cnoeabs.peaks (0.91, 1.89, 41.65 ppm; 3.59 A): 2 out of 6 assignments used, quality = 1.00: * QD2 LEU 48 + HB3 LEU 48 OK 100 100 - 100 - 3.1=100 QD1 LEU 49 + HB3 LEU 48 OK 55 96 - 57 - 4.7/6599=11, 1500/1.8=10...(16) QG1 VAL 20 - HB3 LEU 48 OK 25 100 - 25 - 1500/1.8=4, 353/4.6=4...(10) QG2 VAL 63 - HB3 LEU 48 OK 14 99 - 14 - 1500/1.8=3, ~9399=2...(6) QD1 LEU 62 - HB3 LEU 48 OK 11 92 - 12 - 1500/1.8=2, 1488/3.0=2...(6) QG1 VAL 118 - HB3 LEU 48 poor 8 65 - 11 - ~11916=5, 1500/1.8=2 Peak 1510 from cnoeabs.peaks (0.92, 1.89, 41.65 ppm; 3.59 A): 2 out of 3 assignments used, quality = 1.00: * QD1 LEU 48 + HB3 LEU 48 OK 100 100 - 100 - 3.1=100 QD1 LEU 123 + HB3 LEU 48 OK 51 96 - 54 - 1501/1.8=11, 1526/3.1=8...(18) QG2 VAL 112 - HB3 LEU 48 OK 19 100 - 18 - 1501/1.8=4, 1489/3.0=3...(6) Peak 1511 from cnoeabs.peaks (8.30, 1.89, 41.65 ppm; 4.46 A): 1 out of 5 assignments used, quality = 0.99: * H LEU 49 + HB3 LEU 48 OK 99 100 - 99 - 4.6=89, 6598/1.8=27...(21) H ALA 21 - HB3 LEU 48 OK 35 92 - 38 - 1527/3.1=7, ~11771=7...(8) H ALA 110 - HB3 LEU 48 OK 30 99 - 30 - 11478/3.1=8, 1502/1.8=6...(7) H GLY 111 - HB3 LEU 48 OK 25 100 - 25 - 1502/1.8=5, 1490/3.0=4...(7) H LEU 69 - HB3 LEU 48 OK 25 96 - 26 - 1502/1.8=6, 1527/3.1=5...(6) Peak 1512 from cnoeabs.peaks (8.04, 1.71, 26.79 ppm; 3.72 A): 3 out of 10 assignments used, quality = 0.95: * H LEU 48 + HG LEU 48 OK 89 100 - 89 - 5.0=42, 6588/2.1=25...(12) H LEU 48 + HG LEU 98 OK 37 64 - 58 - 6586=13, 6584/3.0=9...(14) H CYS 79 + HG LEU 48 OK 35 99 - 35 - 1528/2.1=6, 1520/2.1=6...(11) H TYR 76 - HG LEU 48 OK 26 99 - 26 - ~11133=7, 1528/2.1=6...(6) H CYS 125 - HG LEU 48 OK 22 99 - 22 - 1528/2.1=6, 1520/2.1=4...(6) H CYS 79 - HG LEU 98 poor 7 62 - 10 - 9696/9204=3, 7063/3.7=2 H CYS 125 - HG LEU 98 lone 5 62 - 9 - ~7766=2, ~11591=1...(4) H TYR 76 - HG LEU 98 lone 2 62 - 3 - H SER 130 - HG LEU 48 lone 1 57 - 2 - H SER 130 - HG LEU 98 lone 0 30 - 1 - Peak 1513 from cnoeabs.peaks (4.11, 1.71, 26.79 ppm; 3.35 A): 4 out of 12 assignments used, quality = 1.00: * HA LEU 48 + HG LEU 48 OK 95 100 - 95 - 3.7=74, 1489/2.1=27...(18) HA LEU 49 + HG LEU 48 OK 69 99 - 69 - 1542/2.1=14, 1529/2.1=11...(20) HA LEU 98 + HG LEU 48 OK 60 98 - 62 - 3151=11, 1529/2.1=8...(18) HA LEU 98 + HG LEU 98 OK 58 60 - 96 - 3.7=74, 3153/2.1=28...(20) HA LEU 48 - HG LEU 98 OK 41 64 - 65 - 1487=14, 1485/3.0=9...(18) HA CYS 79 - HG LEU 48 OK 22 98 - 23 - 2.9/1512=4, 1529/2.1=3...(10) HA GLN 101 - HG LEU 98 OK 19 49 - 38 - 3193/2.1=7, ~11402=6...(9) HA LEU 49 - HG LEU 98 OK 15 62 - 25 - 2.9/6600=4, 4.9/1487=4...(10) HA ILE 32 - HG LEU 98 poor 10 64 - 15 - 890/2.1=3, 3193/2.1=2...(5) HA GLN 101 - HG LEU 48 lone 9 87 - 10 - ~7413=2, 1496/3.0=1...(5) HA ILE 32 - HG LEU 48 lone 5 100 - 4 - HA CYS 79 - HG LEU 98 lone 3 60 - 5 - Peak 1514 from cnoeabs.peaks (1.78, 1.71, 26.79 ppm; 2.88 A): 3 out of 6 assignments used, quality = 0.99: * HB2 LEU 48 + HG LEU 48 OK 97 100 - 97 - 3.0=92, 1530/2.1=17...(12) HB3 LEU 98 + HG LEU 48 OK 59 96 - 62 - 1530/2.1=10, 1522/2.1=9...(27) HB3 LEU 98 + HG LEU 98 OK 56 57 - 97 - 3.0=91, 3174/2.1=18...(18) HB2 LEU 48 - HG LEU 98 OK 40 64 - 63 - 1499=13, 3187/2.1=8...(26) HG LEU 100 - HG LEU 48 OK 13 96 - 14 - 1530/2.1=2, 1522/2.1=2...(6) HG LEU 100 - HG LEU 98 poor 8 57 - 13 - 3162/3.0=2, ~11389=2...(6) Peak 1515 from cnoeabs.peaks (1.89, 1.71, 26.79 ppm; 3.24 A): 1 out of 8 assignments used, quality = 1.00: * HB3 LEU 48 + HG LEU 48 OK 100 100 - 100 - 3.0=100 HB3 LEU 48 - HG LEU 98 OK 44 64 - 69 - 1.8/1499=11, 1506/3.0=9...(29) HB3 LEU 123 - HG LEU 48 OK 34 81 - 41 - 1531/2.1=7, 1523/2.1=7...(15) HB2 ARG 135 - HG LEU 48 OK 25 73 - 35 - 1.8/4324=4, 1531/2.1=4...(17) HB3 LEU 123 - HG LEU 98 OK 14 45 - 32 - ~3924=4, ~3194=4...(17) HB2 GLU 40 - HG LEU 48 OK 11 92 - 11 - 1531/2.1=2, 1523/2.1=2...(4) HB2 ARG 135 - HG LEU 98 poor 9 40 - 22 - 3.0/4308=3, 1.8/4324=3...(11) HB2 GLU 40 - HG LEU 98 lone 2 53 - 3 - Peak 1516 from cnoeabs.peaks (1.71, 1.71, 26.79 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG LEU 48 + HG LEU 48 OK 100 100 - 100 HG LEU 98 + HG LEU 98 OK 57 57 - 100 Peak 1517 from cnoeabs.peaks (0.91, 1.71, 26.79 ppm; 2.77 A): 1 out of 12 assignments used, quality = 1.00: * QD2 LEU 48 + HG LEU 48 OK 100 100 - 100 - 2.1=100 QD2 LEU 48 - HG LEU 98 OK 34 64 - 53 - 1524=11, 2.1/1532=7...(22) QD1 LEU 49 - HG LEU 48 OK 32 96 - 34 - ~9205=7, 1533/2.1=6...(12) QG1 VAL 20 - HG LEU 48 OK 12 100 - 12 - 1533/2.1=2, 1509/3.0=2...(5) QG2 VAL 63 - HG LEU 48 lone 8 99 - 8 - 1533/2.1=1, 1500/3.0=1 QD1 LEU 62 - HG LEU 48 lone 6 92 - 7 - 1533/2.1=1 QG1 VAL 118 - HG LEU 48 lone 4 65 - 5 - ~11916=2 QD1 LEU 49 - HG LEU 98 lone 3 57 - 6 - 4.7/6600=2 QD1 LEU 62 - HG LEU 98 lone 2 53 - 3 - QG1 VAL 20 - HG LEU 98 lone 1 64 - 2 - QG2 VAL 63 - HG LEU 98 lone 1 62 - 1 - QG1 VAL 118 - HG LEU 98 lone 1 35 - 2 - ~11916=1 Peak 1518 from cnoeabs.peaks (0.92, 1.71, 26.79 ppm; 2.77 A): 1 out of 6 assignments used, quality = 1.00: * QD1 LEU 48 + HG LEU 48 OK 100 100 - 100 - 2.1=100 QD1 LEU 48 - HG LEU 98 OK 34 64 - 53 - 1532=12, 2.1/1524=7...(22) QD1 LEU 123 - HG LEU 48 OK 33 96 - 35 - 1526/2.1=7, 1501/3.0=5...(13) QD1 LEU 123 - HG LEU 98 OK 15 57 - 26 - 3957/2.1=4, 3954/3.0=3...(15) QG2 VAL 112 - HG LEU 48 OK 10 100 - 10 - 1526/2.1=2, 1501/3.0=2...(4) QG2 VAL 112 - HG LEU 98 lone 1 64 - 1 - Peak 1519 from cnoeabs.peaks (8.30, 1.71, 26.79 ppm; 3.95 A): 4 out of 10 assignments used, quality = 0.94: * H LEU 49 + HG LEU 48 OK 84 100 - 84 - 6602/2.1=24, 6599/3.0=21...(15) H LEU 49 + HG LEU 98 OK 30 64 - 47 - 3.6/1487=8, 6598/3.0=8...(14) H ALA 21 + HG LEU 48 OK 30 92 - 32 - 1527/2.1=7, ~11771=7...(8) H ALA 110 + HG LEU 48 OK 24 99 - 24 - 11478/2.1=6, 1527/2.1=5...(7) H LEU 69 - HG LEU 48 OK 21 96 - 22 - 1527/2.1=5, 1502/3.0=4...(6) H GLY 111 - HG LEU 48 OK 19 100 - 19 - 1535/2.1=4, 1527/2.1=4...(6) H LEU 69 - HG LEU 98 OK 15 57 - 26 - 6930/2.1=7, 6930/2.1=6...(6) H ALA 110 - HG LEU 98 lone 3 62 - 5 - H ALA 21 - HG LEU 98 lone 2 53 - 4 - H GLY 111 - HG LEU 98 lone 2 64 - 3 - Peak 1520 from cnoeabs.peaks (8.04, 0.91, 23.93 ppm; 3.81 A): 2 out of 5 assignments used, quality = 0.94: * H LEU 48 + QD2 LEU 48 OK 92 100 - 92 - 5.0=45, 6588/2.1=26...(19) H CYS 79 + QD2 LEU 48 OK 33 99 - 33 - 1528/2.1=7, 1483/3.8=6...(9) H TYR 76 - QD2 LEU 48 OK 27 99 - 27 - ~11133=8, 1528/2.1=6...(6) H CYS 125 - QD2 LEU 48 OK 24 99 - 24 - 1528/2.1=6, 1504/3.1=4...(7) H SER 130 - QD2 LEU 48 lone 1 57 - 2 - Peak 1521 from cnoeabs.peaks (4.11, 0.91, 23.93 ppm; 2.90 A): 3 out of 6 assignments used, quality = 0.97: * HA LEU 48 + QD2 LEU 48 OK 84 100 - 84 - 3.8=44, 1489/2.1=22...(20) HA LEU 49 + QD2 LEU 48 OK 70 99 - 71 - 1542=17, 3.7/9205=10...(24) HA LEU 98 + QD2 LEU 48 OK 44 98 - 45 - 3.0/1522=7, 1529/2.1=7...(18) HA CYS 79 - QD2 LEU 48 OK 16 98 - 17 - 2.9/1520=3, 1529/2.1=2...(10) HA GLN 101 - QD2 LEU 48 lone 6 87 - 7 - 1496/3.1=1 HA ILE 32 - QD2 LEU 48 lone 3 100 - 3 - Peak 1522 from cnoeabs.peaks (1.78, 0.91, 23.93 ppm; 3.12 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LEU 48 + QD2 LEU 48 OK 100 100 - 100 - 3.1=100 HB3 LEU 98 + QD2 LEU 48 OK 60 96 - 63 - 1530/2.1=11, 1506/3.1=8...(30) HG LEU 100 - QD2 LEU 48 OK 14 96 - 15 - 1530/2.1=3, 1506/3.1=2...(7) Peak 1523 from cnoeabs.peaks (1.89, 0.91, 23.93 ppm; 3.07 A): 1 out of 4 assignments used, quality = 0.98: * HB3 LEU 48 + QD2 LEU 48 OK 98 100 - 98 - 3.1=95, 1531/2.1=21...(15) HB3 LEU 123 - QD2 LEU 48 OK 33 81 - 40 - 3.0/9205=8, 1531/2.1=7...(15) HB2 ARG 135 - QD2 LEU 48 OK 17 73 - 24 - 1531/2.1=4, 1515/2.1=3...(10) HB2 GLU 40 - QD2 LEU 48 lone 8 92 - 8 - 1531/2.1=2, 1498/3.1=1...(4) Peak 1524 from cnoeabs.peaks (1.71, 0.91, 23.93 ppm; 2.88 A): 2 out of 6 assignments used, quality = 1.00: * HG LEU 48 + QD2 LEU 48 OK 100 100 - 100 - 2.1=100 HG LEU 98 + QD2 LEU 48 OK 52 96 - 54 - 1517=8, 1532/2.1=8...(23) HG2 ARG 135 - QD2 LEU 48 OK 21 98 - 21 - 1532/2.1=3, 2.9/1523=2...(8) HB2 LEU 70 - QD2 LEU 48 OK 12 99 - 11 - 1532/2.1=2, 1499/3.1=1...(4) HB3 LEU 70 - QD2 LEU 48 OK 12 100 - 11 - 1532/2.1=2, 1499/3.1=1...(4) HD3 LYS 39 - QD2 LEU 48 lone 4 100 - 4 - Peak 1525 from cnoeabs.peaks (0.91, 0.91, 23.93 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 48 + QD2 LEU 48 OK 100 100 - 100 Peak 1526 from cnoeabs.peaks (0.92, 0.91, 23.93 ppm; 2.50 A): 1 out of 3 assignments used, quality = 1.00: * QD1 LEU 48 + QD2 LEU 48 OK 100 100 - 100 - 2.1=100 QD1 LEU 123 - QD2 LEU 48 OK 29 96 - 31 - 2.1/9205=7, 1518/2.1=4...(11) QG2 VAL 112 - QD2 LEU 48 lone 8 100 - 8 - 1501/3.1=1, 1510/3.1=1...(4) Peak 1527 from cnoeabs.peaks (8.30, 0.91, 23.93 ppm; 3.58 A): 5 out of 5 assignments used, quality = 0.95: * H LEU 49 + QD2 LEU 48 OK 84 100 - 84 - 6602/2.1=20, 6599/3.1=17...(20) H ALA 21 + QD2 LEU 48 OK 34 92 - 37 - 6178=9, ~11771=6...(12) H ALA 110 + QD2 LEU 48 OK 22 99 - 22 - 1535/2.1=4, 2.9/10663=4...(7) H LEU 69 + QD2 LEU 48 OK 21 96 - 22 - 11068/10957=4...(7) H GLY 111 + QD2 LEU 48 OK 19 100 - 19 - 1535/2.1=4, 3.7/10663=3...(7) Peak 1528 from cnoeabs.peaks (8.04, 0.92, 24.30 ppm; 3.50 A): 3 out of 5 assignments used, quality = 0.94: * H LEU 48 + QD1 LEU 48 OK 88 100 - 88 - 4.8=40, 2.9/1489=23...(15) H CYS 79 + QD1 LEU 48 OK 30 99 - 30 - 1520/2.1=6, 1512/2.1=5...(9) H TYR 76 + QD1 LEU 48 OK 26 99 - 27 - 3.0/11133=8, 1520/2.1=5...(8) H CYS 125 - QD1 LEU 48 OK 26 99 - 26 - 4.5/10372=6, 3.4/7767=4...(8) H SER 130 - QD1 LEU 48 lone 2 57 - 3 - 4.5/10512=1 Peak 1529 from cnoeabs.peaks (4.11, 0.92, 24.30 ppm; 2.77 A): 4 out of 6 assignments used, quality = 0.95: * HA LEU 48 + QD1 LEU 48 OK 78 100 - 78 - 1489=33, 1488/2.1=15...(18) HA LEU 49 + QD1 LEU 48 OK 52 99 - 53 - 1542/2.1=11, 2.9/6602=10...(19) HA LEU 98 + QD1 LEU 48 OK 40 98 - 41 - 3.0/1530=7, 1521/2.1=5...(18) HA CYS 79 + QD1 LEU 48 OK 15 98 - 15 - 2.9/1528=3, 1521/2.1=2...(8) HA GLN 101 - QD1 LEU 48 lone 5 87 - 6 - HA ILE 32 - QD1 LEU 48 lone 3 100 - 2 - Peak 1530 from cnoeabs.peaks (1.78, 0.92, 24.30 ppm; 2.94 A): 2 out of 3 assignments used, quality = 0.98: * HB2 LEU 48 + QD1 LEU 48 OK 95 100 - 95 - 3.1=86, 1.8/1531=21...(16) HB3 LEU 98 + QD1 LEU 48 OK 55 96 - 58 - 1522/2.1=10, 1506/3.1=7...(29) HG LEU 100 - QD1 LEU 48 OK 13 96 - 13 - 1522/2.1=2, 1506/3.1=2...(6) Peak 1531 from cnoeabs.peaks (1.89, 0.92, 24.30 ppm; 2.92 A): 1 out of 4 assignments used, quality = 0.95: * HB3 LEU 48 + QD1 LEU 48 OK 95 100 - 95 - 3.1=84, 1.8/1530=19...(18) HB3 LEU 123 - QD1 LEU 48 OK 31 81 - 38 - 1523/2.1=6, 1.8/3925=5...(17) HB2 ARG 135 - QD1 LEU 48 OK 16 73 - 22 - 1523/2.1=3, 1515/2.1=3...(9) HB2 GLU 40 - QD1 LEU 48 lone 7 92 - 7 - 1523/2.1=1, 1498/3.1=1 Peak 1532 from cnoeabs.peaks (1.71, 0.92, 24.30 ppm; 2.64 A): 1 out of 6 assignments used, quality = 1.00: * HG LEU 48 + QD1 LEU 48 OK 100 100 - 100 - 2.1=100 HG LEU 98 - QD1 LEU 48 OK 45 96 - 47 - 1518=8, 1524/2.1=7...(20) HG2 ARG 135 - QD1 LEU 48 OK 18 98 - 18 - 1524/2.1=3, 2.9/1531=2...(6) HB2 LEU 70 - QD1 LEU 48 lone 10 99 - 10 - 1524/2.1=2, 1499/3.1=1 HB3 LEU 70 - QD1 LEU 48 lone 10 100 - 10 - 1524/2.1=2, 1499/3.1=1 HD3 LYS 39 - QD1 LEU 48 lone 3 100 - 3 - Peak 1533 from cnoeabs.peaks (0.91, 0.92, 24.30 ppm; 2.50 A): 1 out of 6 assignments used, quality = 1.00: * QD2 LEU 48 + QD1 LEU 48 OK 100 100 - 100 - 2.1=100 QD1 LEU 49 - QD1 LEU 48 OK 28 96 - 29 - ~9205=5, 4.7/6602=4...(12) QG1 VAL 20 - QD1 LEU 48 lone 10 100 - 10 - 1509/3.1=1, 1517/2.1=1...(5) QG2 VAL 63 - QD1 LEU 48 lone 6 99 - 6 - QD1 LEU 62 - QD1 LEU 48 lone 5 92 - 5 - QG1 VAL 118 - QD1 LEU 48 lone 3 65 - 4 - ~11916=1 Peak 1534 from cnoeabs.peaks (0.92, 0.92, 24.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 48 + QD1 LEU 48 OK 100 100 - 100 Peak 1535 from cnoeabs.peaks (8.30, 0.92, 24.30 ppm; 3.98 A): 3 out of 5 assignments used, quality = 0.95: * H LEU 49 + QD1 LEU 48 OK 89 100 - 89 - 6602=31, 3.6/1489=24...(18) H ALA 21 + QD1 LEU 48 OK 33 92 - 36 - 3.0/11771=13, 1527/2.1=8...(8) H ALA 110 + QD1 LEU 48 OK 29 99 - 29 - 11478=6, 1527/2.1=5...(9) H GLY 111 - QD1 LEU 48 OK 24 100 - 23 - 4.5/11478=5, 1527/2.1=4...(8) H LEU 69 - QD1 LEU 48 OK 20 96 - 21 - 1527/2.1=5, 1502/3.1=4...(6) Peak 1536 from cnoeabs.peaks (8.30, 4.11, 57.64 ppm; 3.65 A): 1 out of 5 assignments used, quality = 1.00: * H LEU 49 + HA LEU 49 OK 100 100 - 100 - 2.9=100 H LEU 69 - HA LEU 49 OK 29 96 - 31 - 6915/3.6=5, 11068/9200=5...(10) H ALA 21 - HA LEU 49 OK 22 92 - 24 - 1580/4.1=3, 1556/3.0=3...(9) H ALA 110 - HA LEU 49 OK 18 99 - 19 - 1580/4.1=3, 1556/3.0=3...(7) H GLY 111 - HA LEU 49 OK 15 100 - 15 - 1572/3.9=2, 1490/4.9=2...(7) Peak 1537 from cnoeabs.peaks (4.11, 4.11, 57.64 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 49 + HA LEU 49 OK 100 100 - 100 Peak 1538 from cnoeabs.peaks (1.50, 4.11, 57.64 ppm; 3.62 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 49 + HA LEU 49 OK 100 100 - 100 - 3.0=100 Peak 1539 from cnoeabs.peaks (1.92, 4.11, 57.64 ppm; 3.68 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LEU 49 + HA LEU 49 OK 100 100 - 100 - 3.0=100 HB2 ARG 90 - HA LEU 49 OK 20 98 - 20 - 1550/3.0=3, 6619/3.6=3...(10) HB2 PRO 113 - HA LEU 49 OK 20 87 - 23 - 1550/3.0=3, 1575/3.9=3...(12) HB3 LEU 123 - HA LEU 49 OK 13 46 - 29 - 3.0/1540=5, 1558/3.0=3...(12) HB2 MET 11 - HA LEU 49 poor 8 81 - 10 - 1550/3.0=1, 6605/2.9=1...(4) Peak 1540 from cnoeabs.peaks (1.57, 4.11, 57.64 ppm; 3.94 A): 1 out of 4 assignments used, quality = 1.00: * HG LEU 49 + HA LEU 49 OK 100 100 - 100 - 3.7=100 HG LEU 123 - HA LEU 49 OK 37 92 - 41 - 6606/2.9=6, 1576/3.9=6...(13) HG2 ARG 23 - HA LEU 49 OK 32 98 - 33 - 1566/3.0=9, 1576/3.9=6...(7) HB2 LEU 103 - HA LEU 49 OK 16 92 - 17 - 4.6/7482=3, 1551/3.0=2...(8) Peak 1541 from cnoeabs.peaks (0.80, 4.11, 57.64 ppm; 3.50 A): 3 out of 3 assignments used, quality = 0.95: * QD2 LEU 49 + HA LEU 49 OK 91 100 - 91 - 3.9=71, 2.1/1581=17...(17) QD1 LEU 53 + HA LEU 49 OK 35 98 - 36 - 4.3/6656=9, 6621/3.6=6...(8) QD2 LEU 119 + HA LEU 49 OK 18 96 - 18 - 1552/3.0=4, 1561/3.0=3...(6) Peak 1542 from cnoeabs.peaks (0.91, 4.11, 57.64 ppm; 2.81 A): 4 out of 5 assignments used, quality = 0.91: * QD1 LEU 49 + HA LEU 49 OK 64 100 - 64 - 4.1=33, 2.1/1541=14...(12) QD2 LEU 48 + HA LEU 49 OK 63 96 - 66 - 1521=13, 9205/3.7=8...(22) QG1 VAL 20 + HA LEU 49 OK 17 92 - 19 - 353/2.9=3, 6622/3.6=2...(9) QD1 LEU 62 + HA LEU 49 OK 16 100 - 16 - 11001/4.8=3, 1578/3.9=3...(8) QG2 VAL 63 - HA LEU 49 lone 7 99 - 7 - Peak 1543 from cnoeabs.peaks (8.66, 4.11, 57.64 ppm; 4.85 A): 2 out of 4 assignments used, quality = 1.00: * H SER 50 + HA LEU 49 OK 100 100 - 100 - 3.6=100 H HIS 67 + HA LEU 49 OK 45 98 - 46 - 9460/3.9=24, 6609/2.9=10...(8) H HIS 8 - HA LEU 49 OK 12 99 - 11 - 4.7/9195=5, 1579/3.9=2...(4) H SER 60 - HA LEU 49 lone 7 81 - 9 - 1587/4.1=3, 6609/2.9=1 Peak 1544 from cnoeabs.peaks (8.03, 4.11, 57.64 ppm; 3.60 A): 1 out of 3 assignments used, quality = 0.78: * H ALA 52 + HA LEU 49 OK 78 100 - 79 - 2.9/1545=26, 6644=24...(13) H ALA 16 - HA LEU 49 lone 5 99 - 5 - 6627/3.6=2 H SER 130 - HA LEU 49 lone 3 81 - 3 - Peak 1545 from cnoeabs.peaks (1.48, 4.11, 57.64 ppm; 3.62 A): 1 out of 3 assignments used, quality = 0.62: * QB ALA 52 + HA LEU 49 OK 62 100 - 63 - 1631=27, 2.9/1544=26...(8) HG LEU 42 - HA LEU 49 lone 2 81 - 2 - 6652/1544=1 HG3 LYS 86 - HA LEU 49 lone 2 92 - 2 - Peak 1546 from cnoeabs.peaks (3.90, 1.50, 41.17 ppm; 6.60 A): 3 out of 7 assignments used, quality = 0.94: * HA ALA 46 + HB2 LEU 49 OK 78 100 - 78 - 1457/1.8=32...(10) HB3 SER 50 + HB2 LEU 49 OK 58 81 - 72 - 3.9/6618=48, 6593/3.9=13...(6) HB2 SER 94 + HB2 LEU 49 OK 33 81 - 42 - 11339/3.2=15...(6) HA2 GLY 2 - HB2 LEU 49 OK 11 99 - 11 - 6593/3.9=2, 1555/1.8=2...(4) HA3 GLY 2 - HB2 LEU 49 OK 11 99 - 11 - 6593/3.9=2, 1555/1.8=2...(4) HA LYS 86 - HB2 LEU 49 OK 11 73 - 15 - 11157/11743=7...(3) HA3 GLY 75 - HB2 LEU 49 lone 5 73 - 7 - 6593/3.9=2, 6578/9198=2 Peak 1547 from cnoeabs.peaks (8.30, 1.50, 41.17 ppm; 4.98 A): 1 out of 5 assignments used, quality = 1.00: * H LEU 49 + HB2 LEU 49 OK 100 100 - 100 - 3.9=100 H LEU 69 - HB2 LEU 49 OK 42 96 - 44 - ~11057=8, 6915/4.6=8...(9) H ALA 21 - HB2 LEU 49 OK 34 92 - 37 - 1580/3.2=6, 1572/3.2=6...(10) H ALA 110 - HB2 LEU 49 OK 34 99 - 34 - 1580/3.2=6, 1556/1.8=5...(10) H GLY 111 - HB2 LEU 49 OK 21 100 - 21 - 1572/3.2=4, 1580/3.2=4...(7) Peak 1548 from cnoeabs.peaks (4.11, 1.50, 41.17 ppm; 5.15 A): 2 out of 6 assignments used, quality = 1.00: * HA LEU 49 + HB2 LEU 49 OK 100 100 - 100 - 3.0=100 HA LEU 48 + HB2 LEU 49 OK 86 99 - 86 - 3.6/6604=41, 2.9/9198=29...(14) HA GLN 101 - HB2 LEU 49 OK 39 96 - 40 - 11401/3.2=17, 1581/3.2=4...(12) HA LEU 98 - HB2 LEU 49 OK 27 100 - 27 - 6603/3.9=5, 1573/3.2=4...(10) HA CYS 79 - HB2 LEU 49 OK 18 100 - 18 - 6603/3.9=3, ~7063=2...(10) HA ILE 32 - HB2 LEU 49 OK 15 99 - 14 - 6615/4.6=2, ~896=2...(8) Peak 1549 from cnoeabs.peaks (1.50, 1.50, 41.17 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 49 + HB2 LEU 49 OK 100 100 - 100 Peak 1550 from cnoeabs.peaks (1.92, 1.50, 41.17 ppm; 4.64 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LEU 49 + HB2 LEU 49 OK 100 100 - 100 - 1.8=100 HB2 PRO 113 - HB2 LEU 49 OK 36 87 - 41 - ~10141=6, 1575/3.2=5...(13) HB2 ARG 90 - HB2 LEU 49 OK 32 98 - 32 - 1539/3.0=5, 1575/3.2=4...(10) HB3 LEU 123 - HB2 LEU 49 OK 25 46 - 55 - ~11422=9, 1558=8...(17) HB2 MET 11 - HB2 LEU 49 OK 15 81 - 18 - 1539/3.0=2, ~149=2...(9) Peak 1551 from cnoeabs.peaks (1.57, 1.50, 41.17 ppm; 5.11 A): 3 out of 4 assignments used, quality = 1.00: * HG LEU 49 + HB2 LEU 49 OK 100 100 - 100 - 3.0=100 HG2 ARG 23 + HB2 LEU 49 OK 67 98 - 69 - 1566=13, 1576/3.2=10...(18) HG LEU 123 + HB2 LEU 49 OK 63 92 - 69 - ~11422=16, 1576/3.2=10...(22) HB2 LEU 103 - HB2 LEU 49 OK 32 92 - 35 - 1560/1.8=4, 1576/3.2=4...(12) Peak 1552 from cnoeabs.peaks (0.80, 1.50, 41.17 ppm; 4.46 A): 2 out of 3 assignments used, quality = 1.00: * QD2 LEU 49 + HB2 LEU 49 OK 100 100 - 100 - 3.2=100 QD1 LEU 53 + HB2 LEU 49 OK 49 98 - 51 - 1541/3.0=10, 1561/1.8=9...(11) QD2 LEU 119 - HB2 LEU 49 OK 33 96 - 35 - 1561/1.8=6, 1541/3.0=5...(13) Peak 1553 from cnoeabs.peaks (0.91, 1.50, 41.17 ppm; 4.39 A): 2 out of 5 assignments used, quality = 1.00: * QD1 LEU 49 + HB2 LEU 49 OK 100 100 - 100 - 3.2=100 QD2 LEU 48 + HB2 LEU 49 OK 75 96 - 78 - 9205/3.0=22, 1542/3.0=17...(18) QD1 LEU 62 - HB2 LEU 49 OK 44 100 - 44 - ~10992=12, 1578/3.2=7...(11) QG1 VAL 20 - HB2 LEU 49 OK 36 92 - 39 - 353/3.9=6, ~10710=5...(12) QG2 VAL 63 - HB2 LEU 49 OK 16 99 - 16 - 1578/3.2=2, 1542/3.0=2...(10) Peak 1555 from cnoeabs.peaks (3.90, 1.92, 41.17 ppm; 5.19 A): 3 out of 14 assignments used, quality = 0.85: * HA ALA 46 + HB3 LEU 49 OK 67 100 - 68 - 1457=25, 10951/3.2=20...(8) HB3 SER 50 + HB3 LEU 49 OK 39 81 - 49 - 3.9/6619=27, 6593/3.9=10...(5) HB2 SER 94 + HB3 LEU 49 OK 24 81 - 30 - 11339/3.2=12...(5) HA2 GLY 2 - HB3 LEU 49 lone 7 99 - 7 - 6593/3.9=2, 6612/4.6=2...(4) HA3 GLY 2 - HB3 LEU 49 lone 7 99 - 7 - 6593/3.9=2, 6612/4.6=2...(4) HB3 SER 50 - HB3 LEU 123 poor 5 24 - 22 - ~10349=6, ~11772=4...(8) HA LYS 86 - HB3 LEU 49 lone 5 73 - 6 - 6625/4.6=1, 1546/1.8=1 HB2 SER 94 - HB3 LEU 123 poor 4 24 - 15 - ~11335=11, ~11573=2 HA3 GLY 75 - HB3 LEU 49 lone 3 73 - 4 - 6593/3.9=1 HA ALA 46 - HB3 LEU 123 lone 2 36 - 7 - 1457=1, 10951/1575=1 HA LYS 86 - HB3 LEU 123 lone 1 21 - 5 - HA3 GLY 2 - HB3 LEU 123 lone 1 35 - 1 - HA2 GLY 2 - HB3 LEU 123 lone 1 35 - 1 - HA3 GLY 75 - HB3 LEU 123 lone 0 21 - 1 - Peak 1556 from cnoeabs.peaks (8.30, 1.92, 41.17 ppm; 4.12 A): 1 out of 10 assignments used, quality = 1.00: * H LEU 49 + HB3 LEU 49 OK 100 100 - 100 - 3.9=100 H LEU 69 - HB3 LEU 49 OK 33 96 - 34 - 1536/3.0=5, 11068/9442=5...(9) H ALA 21 - HB3 LEU 49 OK 25 92 - 28 - 1580/3.2=5, 1572/3.2=4...(8) H ALA 110 - HB3 LEU 49 OK 24 99 - 25 - 1580/3.2=4, 1547/1.8=4...(8) H GLY 111 - HB3 LEU 49 OK 15 100 - 15 - 1580/3.2=3, 1572/3.2=3...(6) H LEU 49 - HB3 LEU 123 OK 14 36 - 38 - 6602/3.2=9, 6606/3.0=7...(11) H ALA 21 - HB3 LEU 123 lone 2 30 - 6 - 6179/3.2=3 H ALA 110 - HB3 LEU 123 lone 1 35 - 3 - 11478/3.2=2 H LEU 69 - HB3 LEU 123 lone 1 32 - 3 - H GLY 111 - HB3 LEU 123 lone 1 36 - 2 - Peak 1557 from cnoeabs.peaks (4.11, 1.92, 41.17 ppm; 3.64 A): 2 out of 12 assignments used, quality = 1.00: * HA LEU 49 + HB3 LEU 49 OK 100 100 - 100 - 3.0=100 HA LEU 48 + HB3 LEU 49 OK 57 99 - 58 - 3.6/6605=16, ~9198=11...(15) HA GLN 101 - HB3 LEU 49 OK 22 96 - 23 - 11401/3.2=9, 1581/3.2=3...(8) HA LEU 98 - HB3 LEU 49 OK 18 100 - 18 - 11368/10960=5...(8) HA LEU 49 - HB3 LEU 123 OK 11 36 - 29 - 1540/3.0=5, 1539=4...(12) HA LEU 98 - HB3 LEU 123 OK 10 36 - 29 - 3149/1.8=7, 3153/3.2=6...(12) HA CYS 79 - HB3 LEU 49 lone 9 100 - 8 - 6603/3.9=2, 1548/1.8=1, ~7063=1 HA ILE 32 - HB3 LEU 49 lone 8 99 - 8 - 6615/4.6=1 HA GLN 101 - HB3 LEU 123 poor 8 32 - 24 - 11400/3.2=12, ~11397=5...(4) HA LEU 48 - HB3 LEU 123 poor 7 35 - 20 - 1489/3.2=7, ~1510=3...(6) HA CYS 79 - HB3 LEU 123 lone 0 36 - 1 - HA ILE 32 - HB3 LEU 123 lone 0 35 - 1 - Peak 1558 from cnoeabs.peaks (1.50, 1.92, 41.17 ppm; 4.82 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LEU 49 + HB3 LEU 49 OK 100 100 - 100 - 1.8=100 HB2 LEU 49 - HB3 LEU 123 OK 21 36 - 57 - ~11422=10, 1551/3.0=7...(17) Peak 1559 from cnoeabs.peaks (1.92, 1.92, 41.17 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 49 + HB3 LEU 49 OK 100 100 - 100 HB3 LEU 123 - HB3 LEU 123 OK 12 12 - 100 Peak 1560 from cnoeabs.peaks (1.57, 1.92, 41.17 ppm; 4.20 A): 3 out of 8 assignments used, quality = 1.00: * HG LEU 49 + HB3 LEU 49 OK 100 100 - 100 - 3.0=100 HG2 ARG 23 + HB3 LEU 49 OK 56 98 - 58 - 1566/1.8=12, 1567=9...(18) HG LEU 123 + HB3 LEU 49 OK 51 92 - 56 - ~11422=11, 1576/3.2=8...(19) HG LEU 123 - HB3 LEU 123 OK 30 30 - 100 - 3.0=100 HB2 LEU 103 - HB3 LEU 49 OK 24 92 - 26 - 1551/1.8=3, 1584/3.2=3...(12) HG LEU 49 - HB3 LEU 123 OK 19 36 - 53 - ~11422=11, 3923/1.8=7...(16) HG2 ARG 23 - HB3 LEU 123 lone 3 34 - 10 - 3923/1.8=1, 3948/3.2=1 HB2 LEU 103 - HB3 LEU 123 lone 1 30 - 4 - ~11571=2 Peak 1561 from cnoeabs.peaks (0.80, 1.92, 41.17 ppm; 4.23 A): 2 out of 6 assignments used, quality = 1.00: * QD2 LEU 49 + HB3 LEU 49 OK 100 100 - 100 - 3.2=100 QD1 LEU 53 + HB3 LEU 49 OK 47 98 - 48 - 1552/1.8=10, 1541/3.0=9...(11) QD2 LEU 119 - HB3 LEU 49 OK 31 96 - 32 - 1552/1.8=7, 1541/3.0=5...(12) QD2 LEU 49 - HB3 LEU 123 OK 21 36 - 58 - 11422/3.2=20, 1576/3.0=8...(16) QD2 LEU 119 - HB3 LEU 123 OK 14 32 - 43 - 11422/3.2=16...(8) QD1 LEU 53 - HB3 LEU 123 lone 3 34 - 9 - 11585/4.6=3, 11422/3.2=2 Peak 1562 from cnoeabs.peaks (0.91, 1.92, 41.17 ppm; 3.23 A): 2 out of 10 assignments used, quality = 1.00: * QD1 LEU 49 + HB3 LEU 49 OK 100 100 - 100 - 3.2=100 QD2 LEU 48 + HB3 LEU 49 OK 52 96 - 54 - 9205/3.0=14, 1542/3.0=11...(17) QD1 LEU 62 - HB3 LEU 49 OK 26 100 - 26 - ~10992=6, 1578/3.2=5...(11) QG1 VAL 20 - HB3 LEU 49 OK 21 92 - 22 - 353/3.9=3, 1542/3.0=3...(11) QD1 LEU 62 - HB3 LEU 123 OK 12 36 - 34 - 2009/1.8=7, ~10348=6...(14) QD1 LEU 49 - HB3 LEU 123 OK 12 36 - 33 - ~11422=5, 1584/3.0=4...(15) QD2 LEU 48 - HB3 LEU 123 poor 9 32 - 30 - 9205/3.0=8, 1526/3.2=6...(10) QG2 VAL 63 - HB3 LEU 49 lone 9 99 - 9 - 1578/3.2=1, 1542/3.0=1...(4) QG1 VAL 20 - HB3 LEU 123 poor 5 30 - 17 - ~3924=3, 352/3.2=3...(9) QG2 VAL 63 - HB3 LEU 123 lone 1 35 - 2 - ~11571=2 Peak 1564 from cnoeabs.peaks (8.30, 1.57, 27.00 ppm; 4.37 A): 1 out of 10 assignments used, quality = 0.98: * H LEU 49 + HG LEU 49 OK 98 100 - 98 - 5.0=66, 6604/3.0=37...(18) H LEU 49 - HG2 ARG 23 OK 33 85 - 39 - 6606=9, 3.9/1566=8...(8) H ALA 21 - HG LEU 49 OK 33 92 - 36 - 3.6/10708=7, 1580/2.1=7...(10) H LEU 69 - HG LEU 49 OK 32 96 - 33 - ~11057=7, 1572/2.1=7...(8) H ALA 110 - HG LEU 49 OK 30 99 - 30 - 1580/2.1=6, 1572/2.1=5...(9) H GLY 111 - HG LEU 49 OK 18 100 - 18 - 1580/2.1=4, 1572/2.1=4...(7) H ALA 21 - HG2 ARG 23 OK 13 73 - 18 - 3.6/10708=7, 6180/3.8=4 H ALA 110 - HG2 ARG 23 lone 4 83 - 5 - H LEU 69 - HG2 ARG 23 lone 3 77 - 4 - H GLY 111 - HG2 ARG 23 lone 3 85 - 4 - Peak 1565 from cnoeabs.peaks (4.11, 1.57, 27.00 ppm; 5.55 A): 2 out of 12 assignments used, quality = 1.00: * HA LEU 49 + HG LEU 49 OK 100 100 - 100 - 3.7=100 HA LEU 48 + HG LEU 49 OK 81 99 - 81 - 3.8/9205=24, ~9198=22...(11) HA LEU 49 - HG2 ARG 23 OK 43 85 - 51 - 3.0/1566=13, 3.9/1576=10...(7) HA GLN 101 - HG LEU 49 OK 42 96 - 44 - 11401/2.1=19...(9) HA LEU 98 - HG LEU 49 OK 23 100 - 23 - 1573/2.1=5, 6603/5.0=4...(6) HA LEU 48 - HG2 ARG 23 OK 19 83 - 23 - 3.6/6606=8, 4.9/1540=6...(6) HA CYS 79 - HG LEU 49 OK 12 100 - 12 - 6603/5.0=3, 1548/3.0=2...(5) HA ILE 32 - HG LEU 49 OK 11 99 - 11 - 1548/3.0=2, 1573/2.1=2...(5) HA GLN 101 - HG2 ARG 23 OK 10 77 - 13 - 4.9/3229=3, 11401/1576=2...(6) HA ILE 32 - HG2 ARG 23 lone 7 83 - 8 - 889/3.0=1 HA LEU 98 - HG2 ARG 23 lone 4 85 - 5 - HA CYS 79 - HG2 ARG 23 lone 3 85 - 3 - Peak 1566 from cnoeabs.peaks (1.50, 1.57, 27.00 ppm; 3.60 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LEU 49 + HG LEU 49 OK 100 100 - 100 - 3.0=100 HB2 LEU 49 - HG2 ARG 23 OK 36 85 - 43 - 3.2/1584=6, 3.2/1576=6...(18) Peak 1567 from cnoeabs.peaks (1.92, 1.57, 27.00 ppm; 3.90 A): 1 out of 10 assignments used, quality = 1.00: * HB3 LEU 49 + HG LEU 49 OK 100 100 - 100 - 3.0=100 HB3 LEU 49 - HG2 ARG 23 OK 45 85 - 53 - 1.8/1566=11, 1560=8...(18) HB2 PRO 113 - HG LEU 49 OK 26 87 - 30 - 2.3/10141=6, 1575/2.1=5...(12) HB3 LEU 123 - HG LEU 49 OK 23 46 - 49 - ~11422=9, 1.8/3923=7...(16) HB2 ARG 90 - HG LEU 49 OK 22 98 - 23 - 1583/2.1=4, 1575/2.1=4...(9) HB2 ARG 90 - HG2 ARG 23 OK 18 81 - 23 - 2802/3.0=3, 2802/3.0=3...(13) HB2 MET 11 - HG LEU 49 poor 10 81 - 11 - 1575/2.1=2, 1583/2.1=2...(4) HB3 LEU 123 - HG2 ARG 23 lone 3 34 - 9 - 1.8/3923=1 HB2 PRO 113 - HG2 ARG 23 lone 2 68 - 3 - HB2 MET 11 - HG2 ARG 23 lone 1 62 - 1 - Peak 1568 from cnoeabs.peaks (1.57, 1.57, 27.00 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG LEU 49 + HG LEU 49 OK 100 100 - 100 HG2 ARG 23 + HG2 ARG 23 OK 81 81 - 100 Peak 1569 from cnoeabs.peaks (0.80, 1.57, 27.00 ppm; 3.03 A): 1 out of 6 assignments used, quality = 1.00: * QD2 LEU 49 + HG LEU 49 OK 100 100 - 100 - 2.1=100 QD2 LEU 49 - HG2 ARG 23 OK 35 85 - 41 - 1576=9, 2.1/1584=7...(17) QD1 LEU 53 - HG LEU 49 OK 26 98 - 27 - 1585/2.1=6, 1541/3.7=4...(9) QD2 LEU 119 - HG2 ARG 23 OK 20 77 - 25 - 2.1/456=4, 3793/1.8=4...(12) QD2 LEU 119 - HG LEU 49 OK 19 96 - 19 - 1585/2.1=3, 1552/3.0=3...(10) QD1 LEU 53 - HG2 ARG 23 lone 2 81 - 3 - Peak 1570 from cnoeabs.peaks (0.91, 1.57, 27.00 ppm; 3.00 A): 2 out of 10 assignments used, quality = 1.00: * QD1 LEU 49 + HG LEU 49 OK 100 100 - 100 - 2.1=100 QD2 LEU 48 + HG LEU 49 OK 46 96 - 49 - 9205=23, 1542/3.7=7...(11) QD1 LEU 49 - HG2 ARG 23 OK 35 85 - 42 - 1584=10, 2.1/1576=6...(16) QD1 LEU 62 - HG LEU 49 OK 28 100 - 28 - ~10992=7, 1578/2.1=6...(10) QG1 VAL 20 - HG LEU 49 OK 20 92 - 21 - 3.2/10708=3, 1578/2.1=3...(11) QG1 VAL 20 - HG2 ARG 23 OK 11 73 - 16 - ~10706=5, 3.2/10708=3...(4) QG2 VAL 63 - HG LEU 49 lone 10 99 - 10 - 1578/2.1=2 QD2 LEU 48 - HG2 ARG 23 lone 5 77 - 7 - 9205=3 QD1 LEU 62 - HG2 ARG 23 lone 4 85 - 5 - 10733/4.6=3 QG2 VAL 63 - HG2 ARG 23 lone 2 83 - 2 - Peak 1572 from cnoeabs.peaks (8.30, 0.80, 26.96 ppm; 4.17 A): 1 out of 5 assignments used, quality = 0.96: * H LEU 49 + QD2 LEU 49 OK 96 100 - 96 - 5.0=59, 6604/3.2=33...(19) H LEU 69 - QD2 LEU 49 OK 37 96 - 39 - 2.9/11057=8, 1580/2.1=5...(13) H ALA 21 - QD2 LEU 49 OK 32 92 - 35 - 3.6/10710=8, 1580/2.1=6...(9) H ALA 110 - QD2 LEU 49 OK 29 99 - 30 - 2.9/11488=7, 1580/2.1=5...(8) H GLY 111 - QD2 LEU 49 OK 21 100 - 21 - 3.7/11488=6, 1580/2.1=4...(7) Peak 1573 from cnoeabs.peaks (4.11, 0.80, 26.96 ppm; 3.80 A): 2 out of 6 assignments used, quality = 0.99: * HA LEU 49 + QD2 LEU 49 OK 97 100 - 97 - 3.9=91, 1581/2.1=19...(16) HA LEU 48 + QD2 LEU 49 OK 60 99 - 60 - 3.6/6607=14, 1581/2.1=13...(12) HA GLN 101 - QD2 LEU 49 OK 37 96 - 38 - 11401=15, 4.9/11384=12...(9) HA LEU 98 - QD2 LEU 49 OK 21 100 - 21 - 3.6/11382=9, 1581/2.1=3...(7) HA ILE 32 - QD2 LEU 49 lone 8 99 - 8 - 1581/2.1=1 HA CYS 79 - QD2 LEU 49 lone 7 100 - 7 - 1581/2.1=1, 6603/5.0=1...(4) Peak 1574 from cnoeabs.peaks (1.50, 0.80, 26.96 ppm; 3.40 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 49 + QD2 LEU 49 OK 100 100 - 100 - 3.2=100 Peak 1575 from cnoeabs.peaks (1.92, 0.80, 26.96 ppm; 3.75 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LEU 49 + QD2 LEU 49 OK 100 100 - 100 - 3.2=100 HB2 PRO 113 - QD2 LEU 49 OK 24 87 - 28 - 1583/2.1=5, ~10141=4...(13) HB3 LEU 123 - QD2 LEU 49 OK 23 46 - 49 - 3.2/11422=17, 3.0/1576=7...(16) HB2 ARG 90 - QD2 LEU 49 OK 19 98 - 19 - 1583/2.1=4, 1550/3.2=3...(9) HB2 MET 11 - QD2 LEU 49 poor 9 81 - 10 - 1583/2.1=2, 1550/3.2=1...(4) Peak 1576 from cnoeabs.peaks (1.57, 0.80, 26.96 ppm; 3.23 A): 1 out of 4 assignments used, quality = 1.00: * HG LEU 49 + QD2 LEU 49 OK 100 100 - 100 - 2.1=100 HG2 ARG 23 - QD2 LEU 49 OK 43 98 - 45 - 1569=9, 1584/2.1=7...(17) HG LEU 123 - QD2 LEU 49 OK 42 92 - 45 - 2.1/11422=18, 1584/2.1=6...(13) HB2 LEU 103 - QD2 LEU 49 OK 18 92 - 19 - 1584/2.1=3, 3229/11384=2...(11) Peak 1577 from cnoeabs.peaks (0.80, 0.80, 26.96 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 49 + QD2 LEU 49 OK 100 100 - 100 Peak 1578 from cnoeabs.peaks (0.91, 0.80, 26.96 ppm; 2.74 A): 1 out of 5 assignments used, quality = 1.00: * QD1 LEU 49 + QD2 LEU 49 OK 100 100 - 100 - 2.1=100 QD2 LEU 48 - QD2 LEU 49 OK 34 96 - 36 - 9205/2.1=13, 1542/3.9=5...(10) QD1 LEU 62 - QD2 LEU 49 OK 33 100 - 33 - 2.1/10992=11...(11) QG1 VAL 20 - QD2 LEU 49 OK 17 92 - 19 - 3.2/10710=4, 1570/2.1=2...(10) QG2 VAL 63 - QD2 LEU 49 lone 9 99 - 9 - 1995/10992=1 Peak 1579 from cnoeabs.peaks (8.66, 0.80, 26.96 ppm; 4.87 A): 2 out of 4 assignments used, quality = 0.99: * H SER 50 + QD2 LEU 49 OK 97 100 - 97 - 6618/3.2=39, 6619/3.2=28...(22) H HIS 67 + QD2 LEU 49 OK 79 98 - 81 - 9460=35, 4.1/9434=22...(11) H HIS 8 - QD2 LEU 49 OK 11 99 - 11 - 4.7/11700=4, 1543/3.9=2...(4) H SER 60 - QD2 LEU 49 poor 10 81 - 12 - 1587/2.1=4, 6746/10993=4 Peak 1580 from cnoeabs.peaks (8.30, 0.91, 23.35 ppm; 3.77 A): 1 out of 5 assignments used, quality = 0.94: * H LEU 49 + QD1 LEU 49 OK 94 100 - 94 - 4.7=52, 6604/3.2=27...(20) H ALA 21 - QD1 LEU 49 OK 30 92 - 33 - 6178=6, 1572/2.1=4...(11) H LEU 69 - QD1 LEU 49 OK 26 96 - 27 - ~11057=5, 1572/2.1=5...(7) H ALA 110 - QD1 LEU 49 OK 26 99 - 26 - 2.9/10663=6, 1572/2.1=4...(8) H GLY 111 - QD1 LEU 49 OK 17 100 - 17 - 3.7/10663=4, 1572/2.1=3...(6) Peak 1581 from cnoeabs.peaks (4.11, 0.91, 23.35 ppm; 3.23 A): 4 out of 6 assignments used, quality = 0.93: * HA LEU 49 + QD1 LEU 49 OK 79 100 - 79 - 4.1=50, 1541/2.1=18...(13) HA LEU 48 + QD1 LEU 49 OK 54 99 - 55 - 1488=12, 3.6/1580=9...(14) HA GLN 101 + QD1 LEU 49 OK 16 96 - 17 - 11401/2.1=9, 1557/3.2=2...(4) HA LEU 98 + QD1 LEU 49 OK 10 100 - 11 - 1573/2.1=2, 6603/4.7=2...(4) HA CYS 79 - QD1 LEU 49 lone 5 100 - 5 - HA ILE 32 - QD1 LEU 49 lone 4 99 - 4 - Peak 1582 from cnoeabs.peaks (1.50, 0.91, 23.35 ppm; 3.26 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 49 + QD1 LEU 49 OK 100 100 - 100 - 3.2=100 Peak 1583 from cnoeabs.peaks (1.92, 0.91, 23.35 ppm; 3.60 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LEU 49 + QD1 LEU 49 OK 100 100 - 100 - 3.2=100 HB2 PRO 113 - QD1 LEU 49 OK 21 87 - 24 - 1575/2.1=4, ~10141=4...(12) HB3 LEU 123 - QD1 LEU 49 OK 18 46 - 38 - ~11422=7, 3.0/1584=5...(15) HB2 ARG 90 - QD1 LEU 49 OK 17 98 - 18 - 1575/2.1=4, 1550/3.2=3...(8) HB2 MET 11 - QD1 LEU 49 lone 8 81 - 9 - 1575/2.1=2, 1550/3.2=1...(4) Peak 1584 from cnoeabs.peaks (1.57, 0.91, 23.35 ppm; 3.02 A): 1 out of 4 assignments used, quality = 1.00: * HG LEU 49 + QD1 LEU 49 OK 100 100 - 100 - 2.1=100 HG2 ARG 23 - QD1 LEU 49 OK 39 98 - 40 - 1570=7, 1576/2.1=6...(18) HG LEU 123 - QD1 LEU 49 OK 31 92 - 34 - ~11422=8, 1576/2.1=6...(12) HB2 LEU 103 - QD1 LEU 49 OK 15 92 - 17 - 1576/2.1=2, 3.1/11722=2...(11) Peak 1585 from cnoeabs.peaks (0.80, 0.91, 23.35 ppm; 2.57 A): 1 out of 3 assignments used, quality = 1.00: * QD2 LEU 49 + QD1 LEU 49 OK 100 100 - 100 - 2.1=100 QD1 LEU 53 - QD1 LEU 49 OK 22 98 - 23 - 3.8/11727=3, 1569/2.1=3...(11) QD2 LEU 119 - QD1 LEU 49 OK 12 96 - 13 - 1569/2.1=2, 1552/3.2=2...(5) Peak 1586 from cnoeabs.peaks (0.91, 0.91, 23.35 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 49 + QD1 LEU 49 OK 100 100 - 100 Peak 1587 from cnoeabs.peaks (8.66, 0.91, 23.35 ppm; 4.81 A): 1 out of 4 assignments used, quality = 0.96: * H SER 50 + QD1 LEU 49 OK 96 100 - 96 - 6618/3.2=38, 6619/3.2=28...(19) H HIS 67 - QD1 LEU 49 OK 45 98 - 46 - 9460/2.1=32, 1543/4.1=7...(4) H SER 60 - QD1 LEU 49 OK 18 81 - 23 - 3.6/9361=5, 4.5/9357=5...(8) H HIS 8 - QD1 LEU 49 lone 7 99 - 7 - 1579/2.1=2, 1543/4.1=2 Peak 1588 from cnoeabs.peaks (8.66, 4.00, 62.52 ppm; 3.98 A): 1 out of 8 assignments used, quality = 1.00: * H SER 50 + HA SER 50 OK 100 100 - 100 - 2.9=100 H SER 50 - HB2 SER 124 OK 31 94 - 33 - 6623=6, 6614/4.5=4...(9) H HIS 67 - HA SER 50 OK 29 98 - 30 - 6633/3.6=5, 1543/4.8=4...(9) H HIS 67 - HB2 SER 124 lone 6 90 - 6 - 4.0/6886=2 H HIS 8 - HA SER 50 lone 5 99 - 5 - 1543/4.8=1 H SER 60 - HA SER 50 lone 5 81 - 6 - 6633/3.6=1, 1597/3.0=1 H HIS 8 - HB2 SER 124 lone 1 93 - 1 - H SER 60 - HB2 SER 124 lone 1 71 - 1 - Peak 1589 from cnoeabs.peaks (4.00, 4.00, 62.52 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA SER 50 + HA SER 50 OK 100 100 - 100 HB2 SER 124 + HB2 SER 124 OK 94 94 - 100 Peak 1590 from cnoeabs.peaks (3.84, 4.00, 62.52 ppm; 3.26 A): 1 out of 8 assignments used, quality = 1.00: * HB2 SER 50 + HA SER 50 OK 100 100 - 100 - 3.0=100 HB2 SER 50 - HB2 SER 124 OK 21 94 - 22 - 1598=7, 1.8/1604=5...(8) HA LEU 123 - HB2 SER 124 OK 17 50 - 33 - 3.6/3969=13, 4.0/11772=9...(5) HA LEU 123 - HA SER 50 poor 9 57 - 16 - 3.6/7769=4, 3.9/10349=3...(5) HA LEU 62 - HA SER 50 lone 7 73 - 10 - 6624/2.9=2, 4.1/11001=2 HA LEU 62 - HB2 SER 124 lone 5 64 - 8 - 9383/4.0=4, ~3966=2 HA GLU 40 - HA SER 50 lone 5 96 - 5 - 1605/3.0=1 HA GLU 40 - HB2 SER 124 lone 1 87 - 1 - Peak 1591 from cnoeabs.peaks (3.89, 4.00, 62.52 ppm; 3.13 A): 1 out of 14 assignments used, quality = 1.00: * HB3 SER 50 + HA SER 50 OK 100 100 - 100 - 3.0=100 HB3 SER 50 - HB2 SER 124 OK 19 94 - 20 - 1604=7, 1.8/1598=5...(8) HA LEU 70 - HA SER 50 OK 11 81 - 14 - 2.9/6938=5, 3.6/6956=3...(5) HA ALA 46 - HA SER 50 poor 10 81 - 12 - 6612/2.9=5, 1600/3.0=2...(4) HA LYS 86 - HA SER 50 lone 5 100 - 5 - 1600/3.0=1 HA2 GLY 2 - HA SER 50 lone 3 92 - 3 - HA3 GLY 2 - HA SER 50 lone 3 92 - 3 - HA LEU 70 - HB2 SER 124 lone 2 71 - 3 - 2.9/6938=1, 3.6/6956=1 HA2 GLY 114 - HA SER 50 lone 2 87 - 2 - HA ALA 46 - HB2 SER 124 lone 1 71 - 1 - HA LYS 86 - HB2 SER 124 lone 1 94 - 1 - HA2 GLY 114 - HB2 SER 124 lone 0 78 - 0 - HA3 GLY 2 - HB2 SER 124 lone 0 83 - 0 - HA2 GLY 2 - HB2 SER 124 lone 0 83 - 0 - Peak 1592 from cnoeabs.peaks (7.98, 4.00, 62.52 ppm; 3.61 A): 1 out of 6 assignments used, quality = 1.00: * H SER 51 + HA SER 50 OK 100 100 - 100 - 3.6=100 H SER 38 - HA SER 50 OK 17 99 - 17 - 1601/3.0=6, 1607/3.0=4...(4) H SER 51 - HB2 SER 124 OK 15 94 - 16 - 6634=5, 3.1/1588=4...(5) H SER 94 - HA SER 50 lone 6 73 - 9 - 6626/2.9=2, 1608/4.9=2...(4) H SER 38 - HB2 SER 124 lone 3 93 - 3 - H SER 94 - HB2 SER 124 lone 2 64 - 3 - Peak 1594 from cnoeabs.peaks (1.52, 4.00, 62.52 ppm; 5.22 A): 3 out of 4 assignments used, quality = 0.79: * HB2 LEU 53 + HA SER 50 OK 61 100 - 61 - 4.0/6657=19, 1.8/1595=17...(8) HG LEU 69 + HA SER 50 OK 36 81 - 45 - ~11773=25, ~11076=8...(8) HB2 LEU 53 + HB2 SER 124 OK 17 94 - 18 - 1.8/1653=5, 1644=4...(4) HG LEU 69 - HB2 SER 124 lone 5 71 - 7 - 5.2/6918=3 Peak 1595 from cnoeabs.peaks (1.99, 4.00, 62.52 ppm; 3.73 A): 4 out of 14 assignments used, quality = 0.58: * HB3 LEU 53 + HA SER 50 OK 37 100 - 37 - 4.0/6657=10, 1.8/1594=9...(7) HB VAL 20 + HA SER 50 OK 13 73 - 17 - 2.1/9217=3, 2.1/355=3...(8) HG2 PRO 81 + HB2 SER 124 OK 12 83 - 15 - 2493/1.8=3, ~11899=2...(7) HG2 PRO 81 + HA SER 50 OK 12 92 - 13 - ~11896=6, 11697/3.0=4 HB3 LEU 53 - HB2 SER 124 lone 9 94 - 10 - 1.8/1594=3, 3.1/9218=2...(4) HB VAL 20 - HB2 SER 124 poor 9 64 - 14 - ~11587=3, 2.1/355=3...(5) HB2 GLU 55 - HA SER 50 lone 6 98 - 6 - ~9286=3, 11697/3.0=2 HB2 GLU 91 - HA SER 50 lone 2 100 - 2 - HB ILE 129 - HA SER 50 lone 1 65 - 2 - HB2 GLU 91 - HB2 SER 124 lone 1 94 - 1 - HB ILE 129 - HB2 SER 124 lone 1 57 - 2 - HB2 GLU 55 - HB2 SER 124 lone 1 90 - 1 - HB3 PRO 56 - HA SER 50 lone 1 81 - 1 - HB3 PRO 56 - HB2 SER 124 lone 0 71 - 1 - Peak 1596 from cnoeabs.peaks (4.34, 3.84, 62.56 ppm; 4.89 A): 2 out of 4 assignments used, quality = 0.85: * HA ASP 47 + HB2 SER 50 OK 76 100 - 76 - 1469=45, 1602/1.8=26...(5) HA PRO 81 + HB2 SER 50 OK 36 87 - 42 - 2.3/11896=20...(5) HA ASN 59 - HB2 SER 50 poor 7 65 - 11 - 6613/3.9=3, 1602/1.8=3...(4) HA LYS 24 - HB2 SER 50 lone 3 73 - 4 - 1602/1.8=1 Peak 1597 from cnoeabs.peaks (8.66, 3.84, 62.56 ppm; 4.35 A): 1 out of 4 assignments used, quality = 1.00: * H SER 50 + HB2 SER 50 OK 100 100 - 100 - 3.9=100 H HIS 67 - HB2 SER 50 OK 17 98 - 17 - 1588/3.0=6, 6633/4.7=5...(4) H SER 60 - HB2 SER 50 lone 5 81 - 6 - 1603/1.8=2, 3.6/1596=1 H HIS 8 - HB2 SER 50 lone 4 99 - 4 - 1603/1.8=1, 1588/3.0=1 Peak 1598 from cnoeabs.peaks (4.00, 3.84, 62.56 ppm; 3.18 A): 1 out of 5 assignments used, quality = 1.00: * HA SER 50 + HB2 SER 50 OK 100 100 - 100 - 3.0=100 HB2 SER 124 - HB2 SER 50 OK 20 100 - 20 - 1590=6, 1604/1.8=5...(8) HA VAL 20 - HB2 SER 50 poor 10 87 - 11 - 6623/3.9=2, 1604/1.8=2...(4) HA GLN 68 - HB2 SER 50 lone 10 98 - 10 - 6623/3.9=2, 1604/1.8=2...(5) HB3 SER 99 - HB2 SER 50 lone 2 65 - 2 - Peak 1599 from cnoeabs.peaks (3.84, 3.84, 62.56 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 50 + HB2 SER 50 OK 100 100 - 100 Peak 1600 from cnoeabs.peaks (3.89, 3.84, 62.56 ppm; 3.87 A): 1 out of 7 assignments used, quality = 1.00: * HB3 SER 50 + HB2 SER 50 OK 100 100 - 100 - 1.8=100 HA ALA 46 - HB2 SER 50 OK 14 81 - 18 - 6612/3.9=5...(7) HA LEU 70 - HB2 SER 50 OK 12 81 - 14 - ~6938=3, 1591/3.0=2...(5) HA LYS 86 - HB2 SER 50 lone 8 100 - 8 - ~2626=1, ~2638=1...(5) HA2 GLY 114 - HB2 SER 50 lone 4 87 - 5 - 10163/11698=1 HA3 GLY 2 - HB2 SER 50 lone 3 92 - 4 - HA2 GLY 2 - HB2 SER 50 lone 3 92 - 4 - Peak 1601 from cnoeabs.peaks (7.98, 3.84, 62.56 ppm; 4.12 A): 2 out of 3 assignments used, quality = 0.96: * H SER 51 + HB2 SER 50 OK 93 100 - 94 - 4.7=69, 1607/1.8=37...(10) H SER 38 + HB2 SER 50 OK 36 99 - 36 - 4.2/11698=22, 1607/1.8=6...(5) H SER 94 - HB2 SER 50 poor 8 73 - 11 - 11917/11698=5...(4) Peak 1602 from cnoeabs.peaks (4.34, 3.89, 62.56 ppm; 4.81 A): 2 out of 4 assignments used, quality = 0.79: * HA ASP 47 + HB3 SER 50 OK 71 100 - 71 - 1469/1.8=38, 6613/3.9=26...(6) HA PRO 81 + HB3 SER 50 OK 29 87 - 33 - ~11896=15, 1596/1.8=11...(4) HA ASN 59 - HB3 SER 50 lone 7 65 - 10 - 6613/3.9=3, 1596/1.8=2...(4) HA LYS 24 - HB3 SER 50 lone 3 73 - 4 - Peak 1603 from cnoeabs.peaks (8.66, 3.89, 62.56 ppm; 5.16 A): 1 out of 4 assignments used, quality = 1.00: * H SER 50 + HB3 SER 50 OK 100 100 - 100 - 3.9=100 H HIS 67 - HB3 SER 50 OK 21 98 - 22 - 1588/3.0=7, 6633/4.7=7 H SER 60 - HB3 SER 50 lone 7 81 - 9 - 3.6/1602=2, 1597/1.8=2...(4) H HIS 8 - HB3 SER 50 lone 6 99 - 6 - 1597/1.8=2, 1588/3.0=1 Peak 1604 from cnoeabs.peaks (4.00, 3.89, 62.56 ppm; 3.13 A): 1 out of 5 assignments used, quality = 1.00: * HA SER 50 + HB3 SER 50 OK 100 100 - 100 - 3.0=100 HB2 SER 124 - HB3 SER 50 OK 19 100 - 19 - 1591=6, 1598/1.8=5...(8) HA GLN 68 - HB3 SER 50 lone 10 98 - 10 - 6623/3.9=2, 1598/1.8=2...(4) HA VAL 20 - HB3 SER 50 poor 9 87 - 10 - 1598/1.8=2, 6623/3.9=2 HB3 SER 99 - HB3 SER 50 lone 1 65 - 2 - Peak 1605 from cnoeabs.peaks (3.84, 3.89, 62.56 ppm; 3.44 A): 1 out of 4 assignments used, quality = 1.00: * HB2 SER 50 + HB3 SER 50 OK 100 100 - 100 - 1.8=100 HA GLU 40 - HB3 SER 50 lone 6 96 - 6 - HA LEU 62 - HB3 SER 50 lone 5 73 - 6 - 6624/3.9=2, 1590/3.0=1 HA LEU 123 - HB3 SER 50 lone 3 57 - 5 - 1590/3.0=2, 6624/3.9=1 Peak 1606 from cnoeabs.peaks (3.89, 3.89, 62.56 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 50 + HB3 SER 50 OK 100 100 - 100 Peak 1607 from cnoeabs.peaks (7.98, 3.89, 62.56 ppm; 3.52 A): 2 out of 3 assignments used, quality = 0.81: * H SER 51 + HB3 SER 50 OK 78 100 - 78 - 4.7=43, 6635/1.8=26...(8) H SER 38 + HB3 SER 50 OK 13 99 - 13 - 1601/1.8=7, 1592/3.0=3 H SER 94 - HB3 SER 50 lone 4 73 - 5 - 1601/1.8=2, 6626/3.9=1 Peak 1608 from cnoeabs.peaks (7.98, 4.22, 61.16 ppm; 3.67 A): 1 out of 3 assignments used, quality = 1.00: * H SER 51 + HA SER 51 OK 100 100 - 100 - 3.0=100 H SER 38 - HA SER 51 OK 22 99 - 22 - 6429=4, 1616/2.9=4...(8) H SER 94 - HA SER 51 OK 18 73 - 24 - 1622/2.9=4, 1616/2.9=4...(9) Peak 1609 from cnoeabs.peaks (4.22, 4.22, 61.16 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 51 + HA SER 51 OK 100 100 - 100 Peak 1610 from cnoeabs.peaks (3.94, 4.22, 61.16 ppm; 3.46 A): 1 out of 4 assignments used, quality = 1.00: * HB2 SER 51 + HA SER 51 OK 100 100 - 100 - 2.9=100 HD3 PRO 113 - HA SER 51 lone 8 92 - 8 - 6638/3.0=2, 6649/3.6=2 HA3 GLY 111 - HA SER 51 lone 7 98 - 7 - 6638/3.0=2, 6649/3.6=1 HD3 PRO 117 - HA SER 51 lone 1 57 - 1 - Peak 1611 from cnoeabs.peaks (3.98, 4.22, 61.16 ppm; 3.48 A): 1 out of 5 assignments used, quality = 1.00: * HB3 SER 51 + HA SER 51 OK 100 100 - 100 - 2.9=100 HA GLU 91 - HA SER 51 OK 16 100 - 16 - 3.9/9915=4, 6639/3.0=3...(8) HB3 SER 94 - HA SER 51 poor 9 65 - 14 - 6650/3.6=3, 3.6/1608=3...(7) HA VAL 20 - HA SER 51 lone 5 65 - 8 - 6650/3.6=2, ~10961=2...(4) HB3 SER 106 - HA SER 51 lone 5 98 - 5 - 6639/3.0=1 Peak 1612 from cnoeabs.peaks (8.03, 4.22, 61.16 ppm; 3.70 A): 1 out of 3 assignments used, quality = 1.00: * H ALA 52 + HA SER 51 OK 100 100 - 100 - 3.6=100 H ALA 16 - HA SER 51 OK 12 99 - 11 - 1620/2.9=3, 1626/2.9=3...(4) H SER 130 - HA SER 51 lone 5 81 - 7 - 1627/4.9=1, 1620/2.9=1...(4) Peak 1613 from cnoeabs.peaks (7.55, 4.22, 61.16 ppm; 6.65 A): 1 out of 5 assignments used, quality = 0.85: * H THR 54 + HA SER 51 OK 85 100 - 85 - 6673/3.6=36, 6672=34...(5) H GLN 82 - HA SER 51 poor 10 87 - 11 - 6654/3.6=6, 6669/6659=2 H LEU 119 - HA SER 51 poor 8 81 - 10 - 6654/3.6=5, 1692/1691=2 H VAL 77 - HA SER 51 lone 5 81 - 6 - 6654/3.6=2 HE22 GLN 61 - HA SER 51 lone 4 57 - 8 - 6654/3.6=5 Peak 1614 from cnoeabs.peaks (4.46, 4.22, 61.16 ppm; 6.35 A): 2 out of 4 assignments used, quality = 0.62: * HB THR 54 + HA SER 51 OK 50 100 - 50 - 4.0/6672=30, 1691=26 HA ASP 64 + HA SER 51 OK 23 92 - 25 - ~11022=16, 2044/6867=2...(5) HA SER 106 - HA SER 51 poor 10 92 - 10 - 3.0/1611=2, ~6639=1 HA PRO 58 - HA SER 51 lone 5 65 - 8 - ~9221=3, 9334/6867=1 Peak 1615 from cnoeabs.peaks (4.11, 3.94, 62.66 ppm; 3.84 A): 3 out of 6 assignments used, quality = 0.88: * HA LEU 48 + HB2 SER 51 OK 73 100 - 73 - 1492=40, 1493/1.8=32...(6) HA LEU 49 + HB2 SER 51 OK 48 99 - 48 - 1544/4.6=18, 4.9/1492=14...(7) HA ILE 32 + HB2 SER 51 OK 18 100 - 18 - 4.2/10962=9, 6630/3.8=4...(4) HA LEU 98 - HB2 SER 51 lone 5 98 - 5 - 1521/10961=1, 1621/1.8=1 HA GLN 101 - HB2 SER 51 lone 4 87 - 5 - 1621/1.8=1, ~7408=1 HA CYS 79 - HB2 SER 51 lone 3 98 - 3 - Peak 1616 from cnoeabs.peaks (7.98, 3.94, 62.66 ppm; 3.22 A): 3 out of 3 assignments used, quality = 0.87: * H SER 51 + HB2 SER 51 OK 83 100 - 83 - 3.8=58, 6639/1.8=29...(7) H SER 94 + HB2 SER 51 OK 14 73 - 19 - 3.4/9219=5, 1622/1.8=5...(7) H SER 38 + HB2 SER 51 OK 11 99 - 11 - 1608/2.9=4, 1622/1.8=3...(4) Peak 1617 from cnoeabs.peaks (4.22, 3.94, 62.66 ppm; 3.23 A): 1 out of 6 assignments used, quality = 1.00: * HA SER 51 + HB2 SER 51 OK 100 100 - 100 - 2.9=100 HA HIS 67 - HB2 SER 51 OK 11 100 - 11 - 1623/1.8=3, 6637/3.8=3...(5) HB3 SER 38 - HB2 SER 51 poor 9 87 - 10 - 1130/3.8=3, 1623/1.8=2...(5) HA SER 99 - HB2 SER 51 lone 6 100 - 6 - 1623/1.8=2 HA ALA 34 - HB2 SER 51 lone 5 73 - 7 - 10869/3.8=3, 1623/1.8=1 HA GLU 30 - HB2 SER 51 lone 1 65 - 1 - Peak 1618 from cnoeabs.peaks (3.94, 3.94, 62.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 51 + HB2 SER 51 OK 100 100 - 100 Peak 1619 from cnoeabs.peaks (3.98, 3.94, 62.66 ppm; 2.50 A): 1 out of 5 assignments used, quality = 1.00: * HB3 SER 51 + HB2 SER 51 OK 100 100 - 100 - 1.8=100 HA GLU 91 - HB2 SER 51 lone 7 100 - 7 - 1611/2.9=2, 6639/3.8=1, ~2862=1 HB3 SER 94 - HB2 SER 51 lone 5 65 - 8 - 4.4/9219=2, 3.6/1616=1 HA VAL 20 - HB2 SER 51 lone 3 65 - 5 - 3.2/10961=2 HB3 SER 106 - HB2 SER 51 lone 3 98 - 2 - Peak 1620 from cnoeabs.peaks (8.03, 3.94, 62.66 ppm; 3.42 A): 1 out of 3 assignments used, quality = 0.82: * H ALA 52 + HB2 SER 51 OK 82 100 - 82 - 4.6=41, 1626/1.8=31...(10) H ALA 16 - HB2 SER 51 lone 10 99 - 9 - 1626/1.8=4, 1612/2.9=3 H SER 130 - HB2 SER 51 lone 3 81 - 4 - 1626/1.8=1, 1612/2.9=1 Peak 1621 from cnoeabs.peaks (4.11, 3.98, 62.66 ppm; 3.46 A): 2 out of 6 assignments used, quality = 0.76: * HA LEU 48 + HB3 SER 51 OK 64 100 - 64 - 1493=37, 1492/1.8=27...(4) HA LEU 49 + HB3 SER 51 OK 35 99 - 35 - 1544/4.6=14, 4.9/1493=11...(4) HA ILE 32 - HB3 SER 51 lone 8 100 - 8 - 1615/1.8=4, 6630/3.8=3 HA GLN 101 - HB3 SER 51 lone 3 87 - 4 - HA LEU 98 - HB3 SER 51 lone 3 98 - 3 - HA CYS 79 - HB3 SER 51 lone 2 98 - 2 - Peak 1622 from cnoeabs.peaks (7.98, 3.98, 62.66 ppm; 3.48 A): 3 out of 3 assignments used, quality = 0.94: * H SER 51 + HB3 SER 51 OK 91 100 - 91 - 3.8=74, 6638/1.8=39...(6) H SER 94 + HB3 SER 51 OK 18 73 - 24 - 1616/1.8=5, 3.4/7290=4...(8) H SER 38 + HB3 SER 51 OK 13 99 - 13 - 1616/1.8=4, 1608/2.9=4...(5) Peak 1623 from cnoeabs.peaks (4.22, 3.98, 62.66 ppm; 3.29 A): 1 out of 6 assignments used, quality = 1.00: * HA SER 51 + HB3 SER 51 OK 100 100 - 100 - 2.9=100 HA HIS 67 - HB3 SER 51 OK 11 100 - 11 - 1617/1.8=3, 6637/3.8=3...(6) HB3 SER 38 - HB3 SER 51 poor 9 87 - 11 - 1130/3.8=3, 1617/1.8=2...(5) HA SER 99 - HB3 SER 51 lone 6 100 - 6 - 1617/1.8=2, 6637/3.8=1 HA ALA 34 - HB3 SER 51 lone 5 73 - 7 - 10869/3.8=3, 1617/1.8=1 HA GLU 30 - HB3 SER 51 lone 1 65 - 1 - Peak 1624 from cnoeabs.peaks (3.94, 3.98, 62.66 ppm; 2.50 A): 1 out of 4 assignments used, quality = 1.00: * HB2 SER 51 + HB3 SER 51 OK 100 100 - 100 - 1.8=100 HD3 PRO 113 - HB3 SER 51 lone 4 92 - 5 - HA3 GLY 111 - HB3 SER 51 lone 3 98 - 3 - HD3 PRO 117 - HB3 SER 51 lone 1 57 - 1 - Peak 1625 from cnoeabs.peaks (3.98, 3.98, 62.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 51 + HB3 SER 51 OK 100 100 - 100 Peak 1626 from cnoeabs.peaks (8.03, 3.98, 62.66 ppm; 3.39 A): 1 out of 3 assignments used, quality = 0.80: * H ALA 52 + HB3 SER 51 OK 80 100 - 80 - 4.6=40, 1620/1.8=30...(10) H ALA 16 - HB3 SER 51 lone 9 99 - 8 - 1620/1.8=4, 1612/2.9=3 H SER 130 - HB3 SER 51 lone 3 81 - 3 - 1620/1.8=1, 1612/2.9=1 Peak 1627 from cnoeabs.peaks (8.03, 4.13, 54.53 ppm; 3.78 A): 1 out of 3 assignments used, quality = 1.00: * H ALA 52 + HA ALA 52 OK 100 100 - 100 - 2.9=100 H ALA 16 - HA ALA 52 lone 10 99 - 10 - 1632/2.1=2, 6660/3.6=2 H SER 130 - HA ALA 52 poor 8 81 - 10 - 4.6/9238=3, 6660/3.6=2 Peak 1628 from cnoeabs.peaks (4.13, 4.13, 54.53 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 52 + HA ALA 52 OK 100 100 - 100 Peak 1629 from cnoeabs.peaks (1.48, 4.13, 54.53 ppm; 3.19 A): 1 out of 3 assignments used, quality = 1.00: * QB ALA 52 + HA ALA 52 OK 100 100 - 100 - 2.1=100 HG LEU 42 - HA ALA 52 OK 16 81 - 20 - ~9105=4, ~1327=3...(8) HG3 LYS 86 - HA ALA 52 lone 9 92 - 9 - ~2642=2, ~2653=2...(4) Peak 1630 from cnoeabs.peaks (7.71, 4.13, 54.53 ppm; 4.47 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 53 + HA ALA 52 OK 100 100 - 100 - 3.6=100 H LYS 95 - HA ALA 52 OK 17 65 - 27 - 1635/2.1=8, ~9224=8...(5) Peak 1631 from cnoeabs.peaks (4.11, 1.48, 18.03 ppm; 3.27 A): 2 out of 6 assignments used, quality = 0.73: * HA LEU 49 + QB ALA 52 OK 60 100 - 60 - 1545=35, 1544/2.9=21...(6) HA LEU 48 + QB ALA 52 OK 32 99 - 32 - 4.9/1545=12, 6643/2.9=9...(7) HA LEU 98 - QB ALA 52 lone 7 100 - 7 - 3.6/9247=2, 4.0/10964=1 HA ILE 32 - QB ALA 52 lone 7 99 - 7 - 6643/2.9=2, 10822/9243=2 HA GLN 101 - QB ALA 52 lone 2 96 - 2 - HA CYS 79 - QB ALA 52 lone 2 100 - 1 - Peak 1632 from cnoeabs.peaks (8.03, 1.48, 18.03 ppm; 3.41 A): 1 out of 3 assignments used, quality = 1.00: * H ALA 52 + QB ALA 52 OK 100 100 - 100 - 2.9=100 H ALA 16 - QB ALA 52 lone 7 99 - 7 - 1627/2.1=2, 6660/3.7=2 H SER 130 - QB ALA 52 lone 5 81 - 7 - 1627/2.1=2, 6660/3.7=2 Peak 1633 from cnoeabs.peaks (4.13, 1.48, 18.03 ppm; 3.31 A): 1 out of 4 assignments used, quality = 1.00: * HA ALA 52 + QB ALA 52 OK 100 100 - 100 - 2.1=100 HA ILE 80 - QB ALA 52 OK 15 81 - 18 - 3.0/11167=5, ~10963=4...(7) HA3 GLY 114 - QB ALA 52 lone 7 73 - 9 - 1.8/9243=6, 6651/2.9=1 HA CYS 45 - QB ALA 52 lone 2 57 - 3 - 11813/9440=2 Peak 1634 from cnoeabs.peaks (1.48, 1.48, 18.03 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 52 + QB ALA 52 OK 100 100 - 100 Peak 1635 from cnoeabs.peaks (7.71, 1.48, 18.03 ppm; 4.30 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 53 + QB ALA 52 OK 100 100 - 100 - 3.7=100 H LYS 95 - QB ALA 52 OK 28 65 - 42 - 4.4/11338=16...(7) Peak 1636 from cnoeabs.peaks (7.71, 4.18, 56.53 ppm; 4.14 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 53 + HA LEU 53 OK 100 100 - 100 - 3.0=100 H LYS 95 - HA LEU 53 OK 31 65 - 47 - 1670/3.8=8, 1645/3.0=8...(12) Peak 1637 from cnoeabs.peaks (4.18, 4.18, 56.53 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 53 + HA LEU 53 OK 100 100 - 100 Peak 1638 from cnoeabs.peaks (1.52, 4.18, 56.53 ppm; 4.03 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LEU 53 + HA LEU 53 OK 100 100 - 100 - 3.0=100 HG LEU 69 - HA LEU 53 OK 41 81 - 51 - 1656/3.0=9, ~11070=9...(11) Peak 1639 from cnoeabs.peaks (1.99, 4.18, 56.53 ppm; 3.99 A): 2 out of 7 assignments used, quality = 1.00: * HB3 LEU 53 + HA LEU 53 OK 100 100 - 100 - 3.0=100 HG2 PRO 81 + HA LEU 53 OK 50 92 - 55 - 2.3/11900=17...(15) HB VAL 20 - HA LEU 53 OK 19 73 - 26 - 2.1/11727=6, 6665/3.0=3...(13) HB2 GLU 55 - HA LEU 53 OK 18 98 - 18 - 6678/3.6=4, 1648/3.0=3...(10) HB2 GLU 91 - HA LEU 53 OK 15 100 - 15 - 1648/3.0=2, 1673/3.8=2...(8) HB ILE 129 - HA LEU 53 OK 12 65 - 18 - ~11637=4, 6665/3.0=2...(7) HB3 PRO 56 - HA LEU 53 lone 3 81 - 3 - Peak 1640 from cnoeabs.peaks (1.94, 4.18, 56.53 ppm; 4.09 A): 2 out of 5 assignments used, quality = 0.98: * HG LEU 53 + HA LEU 53 OK 97 100 - 97 - 4.3=88, 2.1/1679=35...(12) HB2 LYS 95 + HA LEU 53 OK 46 100 - 46 - 6666/3.0=7, 1674/3.8=6...(13) HB3 LYS 95 - HA LEU 53 OK 43 96 - 45 - 6666/3.0=6, 4.0/1636=6...(13) HB3 PRO 81 - HA LEU 53 OK 34 65 - 52 - 1.8/11900=20, 2.3/1639=8...(15) HG2 PRO 113 - HA LEU 53 OK 22 96 - 23 - 1682/3.8=5, 1674/3.8=5...(6) Peak 1641 from cnoeabs.peaks (0.79, 4.18, 56.53 ppm; 4.01 A): 2 out of 4 assignments used, quality = 1.00: * QD1 LEU 53 + HA LEU 53 OK 100 100 - 100 - 3.8=100 QD2 LEU 49 + HA LEU 53 OK 45 98 - 47 - 2.1/11727=12, 6667/3.0=9...(9) QD2 LEU 119 - HA LEU 53 OK 15 81 - 18 - 6680/3.6=4, 1650/3.0=3...(7) QD2 LEU 122 - HA LEU 53 lone 7 81 - 9 - 1650/3.0=2, 1659/3.0=2...(6) Peak 1642 from cnoeabs.peaks (0.97, 4.18, 56.53 ppm; 3.41 A): 3 out of 4 assignments used, quality = 0.94: * QD2 LEU 53 + HA LEU 53 OK 88 100 - 88 - 3.8=74, 6668/3.0=14...(10) QG2 VAL 126 + HA LEU 53 OK 42 98 - 43 - 11614/3.8=16, 6668/3.0=7...(8) QG1 VAL 112 + HA LEU 53 OK 17 100 - 17 - 6668/3.0=3, 1651/3.0=3...(7) QG1 VAL 105 - HA LEU 53 lone 2 81 - 3 - Peak 1643 from cnoeabs.peaks (7.55, 4.18, 56.53 ppm; 5.12 A): 1 out of 5 assignments used, quality = 1.00: * H THR 54 + HA LEU 53 OK 100 100 - 100 - 3.6=100 H GLN 82 - HA LEU 53 OK 40 87 - 46 - 4.1/11900=20...(8) H LEU 119 - HA LEU 53 OK 20 81 - 25 - 1677/3.8=5, 6669/3.0=4...(7) H VAL 77 - HA LEU 53 OK 11 81 - 14 - 1685/3.8=2, 1677/3.8=2...(5) HE22 GLN 61 - HA LEU 53 lone 3 57 - 5 - 6669/3.0=2 Peak 1644 from cnoeabs.peaks (4.00, 1.52, 42.44 ppm; 6.40 A): 5 out of 5 assignments used, quality = 0.92: * HA SER 50 + HB2 LEU 53 OK 75 100 - 75 - 1594=25, 6657/4.0=25...(10) HA VAL 20 + HB2 LEU 53 OK 40 87 - 46 - 1653/1.8=11, 6657/4.0=8...(13) HB2 SER 124 + HB2 LEU 53 OK 26 100 - 25 - 1594=7, 1653/1.8=7...(4) HA GLN 68 + HB2 LEU 53 OK 24 98 - 24 - 3.6/6928=8, 4.9/2172=7...(5) HB3 SER 99 + HB2 LEU 53 OK 10 65 - 16 - ~11379=6, 1653/1.8=3...(4) Peak 1645 from cnoeabs.peaks (7.71, 1.52, 42.44 ppm; 4.72 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 53 + HB2 LEU 53 OK 100 100 - 100 - 4.0=100 H LYS 95 + HB2 LEU 53 OK 45 65 - 69 - ~11725=14, ~11724=13...(14) Peak 1646 from cnoeabs.peaks (4.18, 1.52, 42.44 ppm; 4.92 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 53 + HB2 LEU 53 OK 100 100 - 100 - 3.0=100 HB THR 83 - HB2 LEU 53 OK 27 57 - 47 - ~9760=18, 1655/1.8=8...(9) Peak 1647 from cnoeabs.peaks (1.52, 1.52, 42.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 53 + HB2 LEU 53 OK 100 100 - 100 Peak 1648 from cnoeabs.peaks (1.99, 1.52, 42.44 ppm; 4.07 A): 2 out of 7 assignments used, quality = 1.00: * HB3 LEU 53 + HB2 LEU 53 OK 100 100 - 100 - 1.8=100 HG2 PRO 81 + HB2 LEU 53 OK 52 92 - 56 - ~11900=12, 11914/4.6=8...(16) HB2 GLU 55 - HB2 LEU 53 OK 21 98 - 21 - 6678/4.6=3, 1673/3.1=3...(10) HB VAL 20 - HB2 LEU 53 OK 20 73 - 27 - ~11727=3, ~1653=3...(12) HB2 GLU 91 - HB2 LEU 53 OK 18 100 - 18 - 1673/3.1=2, 1681/3.1=2...(10) HB ILE 129 - HB2 LEU 53 OK 16 65 - 25 - 3.2/11637=9, 1681/3.1=3...(10) HB3 PRO 56 - HB2 LEU 53 lone 3 81 - 4 - Peak 1649 from cnoeabs.peaks (1.94, 1.52, 42.44 ppm; 4.38 A): 4 out of 5 assignments used, quality = 1.00: * HG LEU 53 + HB2 LEU 53 OK 100 100 - 100 - 3.0=100 HB2 LYS 95 + HB2 LEU 53 OK 63 100 - 63 - ~11725=11, ~11724=11...(15) HB3 LYS 95 + HB2 LEU 53 OK 60 96 - 62 - ~11725=11, ~11724=11...(15) HG2 PRO 113 + HB2 LEU 53 OK 52 96 - 54 - ~9256=14, ~10142=8...(13) HB3 PRO 81 - HB2 LEU 53 OK 43 65 - 66 - ~11907=17, ~11900=16...(19) Peak 1650 from cnoeabs.peaks (0.79, 1.52, 42.44 ppm; 3.91 A): 2 out of 4 assignments used, quality = 1.00: * QD1 LEU 53 + HB2 LEU 53 OK 100 100 - 100 - 3.1=100 QD2 LEU 49 + HB2 LEU 53 OK 45 98 - 46 - 1659/1.8=9, 1641/3.0=8...(12) QD2 LEU 119 - HB2 LEU 53 OK 17 81 - 21 - 1659/1.8=4, 6680/4.6=3...(11) QD2 LEU 122 - HB2 LEU 53 poor 9 81 - 10 - 1659/1.8=2, 1667/3.0=1...(5) Peak 1651 from cnoeabs.peaks (0.97, 1.52, 42.44 ppm; 4.31 A): 2 out of 4 assignments used, quality = 1.00: * QD2 LEU 53 + HB2 LEU 53 OK 100 100 - 100 - 3.1=100 QG2 VAL 126 + HB2 LEU 53 OK 72 98 - 74 - 11614/3.1=27, ~11618=14...(14) QG1 VAL 112 - HB2 LEU 53 OK 32 100 - 32 - 1668/3.0=6, 1660/1.8=6...(10) QG1 VAL 105 - HB2 LEU 53 lone 5 81 - 5 - Peak 1652 from cnoeabs.peaks (7.55, 1.52, 42.44 ppm; 6.80 A): 1 out of 5 assignments used, quality = 1.00: * H THR 54 + HB2 LEU 53 OK 100 100 - 100 - 4.6=100 H GLN 82 - HB2 LEU 53 OK 36 87 - 42 - 1643/3.0=11, 1661/1.8=9...(6) H LEU 119 - HB2 LEU 53 OK 28 81 - 35 - 1677/3.1=8, 1661/1.8=6...(8) H VAL 77 - HB2 LEU 53 OK 21 81 - 26 - 1661/1.8=5, 1677/3.1=4...(7) HE22 GLN 61 - HB2 LEU 53 lone 5 57 - 8 - 6669/4.0=2, 1661/1.8=1 Peak 1653 from cnoeabs.peaks (4.00, 1.99, 42.44 ppm; 6.03 A): 4 out of 5 assignments used, quality = 0.88: * HA SER 50 + HB3 LEU 53 OK 72 100 - 72 - 1594/1.8=24, 6657/4.0=23...(9) HA VAL 20 + HB3 LEU 53 OK 37 87 - 43 - 1644/1.8=9, 6657/4.0=8...(15) HB2 SER 124 + HB3 LEU 53 OK 22 100 - 22 - 1594/1.8=7, 9218/3.1=4...(5) HA GLN 68 + HB3 LEU 53 OK 11 98 - 11 - 1644/1.8=5, 6657/4.0=3 HB3 SER 99 - HB3 LEU 53 poor 9 65 - 14 - ~11379=6, 11378/3.1=3...(4) Peak 1654 from cnoeabs.peaks (7.71, 1.99, 42.44 ppm; 4.79 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 53 + HB3 LEU 53 OK 100 100 - 100 - 4.0=100 H LYS 95 + HB3 LEU 53 OK 46 65 - 71 - ~11725=14, ~11724=14...(14) Peak 1655 from cnoeabs.peaks (4.18, 1.99, 42.44 ppm; 5.13 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 53 + HB3 LEU 53 OK 100 100 - 100 - 3.0=100 HB THR 83 - HB3 LEU 53 OK 28 57 - 49 - ~9760=20, 1646/1.8=9...(9) Peak 1656 from cnoeabs.peaks (1.52, 1.99, 42.44 ppm; 4.19 A): 2 out of 2 assignments used, quality = 1.00: * HB2 LEU 53 + HB3 LEU 53 OK 100 100 - 100 - 1.8=100 HG LEU 69 + HB3 LEU 53 OK 49 81 - 60 - 2.1/11070=14, 1638/3.0=9...(12) Peak 1657 from cnoeabs.peaks (1.99, 1.99, 42.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 53 + HB3 LEU 53 OK 100 100 - 100 Peak 1658 from cnoeabs.peaks (1.94, 1.99, 42.44 ppm; 4.61 A): 5 out of 5 assignments used, quality = 1.00: * HG LEU 53 + HB3 LEU 53 OK 100 100 - 100 - 3.0=100 HB2 LYS 95 + HB3 LEU 53 OK 67 100 - 67 - ~11725=13, ~11724=12...(15) HB3 LYS 95 + HB3 LEU 53 OK 63 96 - 66 - ~11725=13, ~11724=12...(15) HG2 PRO 113 + HB3 LEU 53 OK 55 96 - 58 - ~9256=15, ~10142=8...(13) HB3 PRO 81 + HB3 LEU 53 OK 46 65 - 71 - ~11907=19, ~11900=17...(20) Peak 1659 from cnoeabs.peaks (0.79, 1.99, 42.44 ppm; 4.37 A): 2 out of 4 assignments used, quality = 1.00: * QD1 LEU 53 + HB3 LEU 53 OK 100 100 - 100 - 3.1=100 QD2 LEU 49 + HB3 LEU 53 OK 53 98 - 54 - 1650/1.8=12, 1641/3.0=9...(13) QD2 LEU 119 - HB3 LEU 53 OK 21 81 - 26 - 1650/1.8=4, 6680/4.6=4...(11) QD2 LEU 122 - HB3 LEU 53 OK 11 81 - 13 - 1650/1.8=2, 1667/3.0=2...(6) Peak 1660 from cnoeabs.peaks (0.97, 1.99, 42.44 ppm; 4.46 A): 2 out of 4 assignments used, quality = 1.00: * QD2 LEU 53 + HB3 LEU 53 OK 100 100 - 100 - 3.1=100 QG2 VAL 126 + HB3 LEU 53 OK 75 98 - 76 - 11614/3.1=28...(12) QG1 VAL 112 - HB3 LEU 53 OK 34 100 - 34 - 1668/3.0=6, 1651/1.8=6...(10) QG1 VAL 105 - HB3 LEU 53 lone 5 81 - 6 - Peak 1661 from cnoeabs.peaks (7.55, 1.99, 42.44 ppm; 6.80 A): 1 out of 5 assignments used, quality = 1.00: * H THR 54 + HB3 LEU 53 OK 100 100 - 100 - 4.6=100 H GLN 82 - HB3 LEU 53 OK 42 87 - 49 - 1643/3.0=11, 1652/1.8=8...(8) H LEU 119 - HB3 LEU 53 OK 29 81 - 36 - 1677/3.1=8, 1652/1.8=6...(7) H VAL 77 - HB3 LEU 53 OK 21 81 - 26 - 1652/1.8=5, 1677/3.1=4...(7) HE22 GLN 61 - HB3 LEU 53 lone 5 57 - 8 - 6669/4.0=2, 1652/1.8=1 Peak 1662 from cnoeabs.peaks (7.71, 1.94, 27.00 ppm; 4.85 A): 2 out of 2 assignments used, quality = 0.99: * H LEU 53 + HG LEU 53 OK 98 100 - 98 - 5.3=76, 6664/3.0=35...(14) H LYS 95 + HG LEU 53 OK 47 65 - 73 - ~11725=19, ~11724=19...(12) Peak 1663 from cnoeabs.peaks (4.18, 1.94, 27.00 ppm; 4.68 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 53 + HG LEU 53 OK 100 100 - 100 - 4.3=100 HB THR 83 - HG LEU 53 OK 27 57 - 48 - 2.1/9760=28, 1671/2.1=8...(6) Peak 1664 from cnoeabs.peaks (1.52, 1.94, 27.00 ppm; 5.23 A): 2 out of 2 assignments used, quality = 1.00: * HB2 LEU 53 + HG LEU 53 OK 100 100 - 100 - 3.0=100 HG LEU 69 + HG LEU 53 OK 54 81 - 67 - ~11070=16, 1656/3.0=14...(11) Peak 1665 from cnoeabs.peaks (1.99, 1.94, 27.00 ppm; 3.01 A): 1 out of 7 assignments used, quality = 1.00: * HB3 LEU 53 + HG LEU 53 OK 100 100 - 100 - 3.0=100 HG2 PRO 81 - HG LEU 53 OK 28 92 - 30 - 3.8/11907=9, 1673/2.1=4...(13) HB2 GLU 55 - HG LEU 53 lone 9 98 - 9 - 1673/2.1=2, 1681/2.1=2 HB VAL 20 - HG LEU 53 poor 9 73 - 12 - 1673/2.1=2, ~10710=2...(6) HB2 GLU 91 - HG LEU 53 lone 8 100 - 8 - 1673/2.1=2, 1681/2.1=2 HB ILE 129 - HG LEU 53 poor 7 65 - 11 - ~11637=2, 1681/2.1=2...(5) HB3 PRO 56 - HG LEU 53 lone 2 81 - 2 - Peak 1666 from cnoeabs.peaks (1.94, 1.94, 27.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 53 + HG LEU 53 OK 100 100 - 100 Peak 1667 from cnoeabs.peaks (0.79, 1.94, 27.00 ppm; 4.11 A): 1 out of 4 assignments used, quality = 1.00: * QD1 LEU 53 + HG LEU 53 OK 100 100 - 100 - 2.1=100 QD2 LEU 49 - HG LEU 53 OK 42 98 - 43 - 1650/3.0=8, 1659/3.0=8...(9) QD2 LEU 119 - HG LEU 53 OK 16 81 - 20 - 1650/3.0=3, 1659/3.0=3...(9) QD2 LEU 122 - HG LEU 53 poor 9 81 - 10 - 1683/2.1=2, 1659/3.0=2...(4) Peak 1668 from cnoeabs.peaks (0.97, 1.94, 27.00 ppm; 3.94 A): 2 out of 4 assignments used, quality = 1.00: * QD2 LEU 53 + HG LEU 53 OK 100 100 - 100 - 2.1=100 QG2 VAL 126 + HG LEU 53 OK 65 98 - 66 - 11614/2.1=30, ~10401=10...(11) QG1 VAL 112 - HG LEU 53 OK 36 100 - 36 - 4.4/3573=5, 4.4/3581=5...(14) QG1 VAL 105 - HG LEU 53 lone 4 81 - 4 - Peak 1670 from cnoeabs.peaks (7.71, 0.79, 26.18 ppm; 4.27 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 53 + QD1 LEU 53 OK 99 100 - 99 - 4.3=96, 6664/3.1=29...(13) H LYS 95 + QD1 LEU 53 OK 47 65 - 72 - 2.9/11724=25, ~11725=15...(15) Peak 1671 from cnoeabs.peaks (4.18, 0.79, 26.18 ppm; 4.32 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 53 + QD1 LEU 53 OK 100 100 - 100 - 3.8=100 HB THR 83 - QD1 LEU 53 OK 23 57 - 40 - ~9760=18, 1663/2.1=7...(7) Peak 1672 from cnoeabs.peaks (1.52, 0.79, 26.18 ppm; 3.35 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LEU 53 + QD1 LEU 53 OK 100 100 - 100 - 3.1=100 HG LEU 69 - QD1 LEU 53 OK 32 81 - 40 - 1680/2.1=8, 1656/3.1=6...(12) Peak 1673 from cnoeabs.peaks (1.99, 0.79, 26.18 ppm; 3.51 A): 1 out of 7 assignments used, quality = 1.00: * HB3 LEU 53 + QD1 LEU 53 OK 100 100 - 100 - 3.1=100 HG2 PRO 81 - QD1 LEU 53 OK 35 92 - 38 - 1665/2.1=7, 1681/2.1=6...(14) HB2 GLU 55 - QD1 LEU 53 OK 15 98 - 15 - 1681/2.1=2, 1665/2.1=2...(7) HB VAL 20 - QD1 LEU 53 OK 14 73 - 19 - 3.0/10710=4, 1681/2.1=2...(8) HB ILE 129 - QD1 LEU 53 OK 13 65 - 20 - 4.6/11728=3, ~11637=3...(9) HB2 GLU 91 - QD1 LEU 53 OK 13 100 - 13 - 1681/2.1=2, 1665/2.1=2...(5) HB3 PRO 56 - QD1 LEU 53 lone 2 81 - 3 - Peak 1674 from cnoeabs.peaks (1.94, 0.79, 26.18 ppm; 3.33 A): 3 out of 5 assignments used, quality = 1.00: * HG LEU 53 + QD1 LEU 53 OK 100 100 - 100 - 2.1=100 HB2 LYS 95 + QD1 LEU 53 OK 49 100 - 49 - 3.0/11724=17, ~11725=8...(14) HB3 LYS 95 + QD1 LEU 53 OK 46 96 - 48 - 3.0/11724=17, ~11725=8...(14) HG2 PRO 113 - QD1 LEU 53 OK 38 96 - 40 - ~9256=9, ~10142=6...(13) HB3 PRO 81 - QD1 LEU 53 OK 25 65 - 39 - ~11907=12, 2.3/1673=5...(16) Peak 1675 from cnoeabs.peaks (0.79, 0.79, 26.18 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 53 + QD1 LEU 53 OK 100 100 - 100 Peak 1676 from cnoeabs.peaks (0.97, 0.79, 26.18 ppm; 2.68 A): 2 out of 4 assignments used, quality = 1.00: * QD2 LEU 53 + QD1 LEU 53 OK 100 100 - 100 - 2.1=100 QG2 VAL 126 + QD1 LEU 53 OK 51 98 - 53 - 11614=26, 3.2/10401=7...(13) QG1 VAL 112 - QD1 LEU 53 OK 14 100 - 14 - 1668/2.1=3, 1651/3.1=2...(8) QG1 VAL 105 - QD1 LEU 53 lone 2 81 - 2 - Peak 1677 from cnoeabs.peaks (7.55, 0.79, 26.18 ppm; 5.88 A): 1 out of 5 assignments used, quality = 1.00: * H THR 54 + QD1 LEU 53 OK 100 100 - 100 - 4.6=100 H LEU 119 - QD1 LEU 53 OK 34 81 - 42 - 4.6/10256=7, 1685/2.1=5...(15) H GLN 82 - QD1 LEU 53 OK 31 87 - 36 - 1643/3.8=8, 1685/2.1=8...(6) H VAL 77 - QD1 LEU 53 OK 18 81 - 21 - 3.1/11728=5, 1685/2.1=4...(6) HE22 GLN 61 - QD1 LEU 53 lone 4 57 - 6 - 6669/4.3=1 Peak 1678 from cnoeabs.peaks (7.71, 0.97, 25.20 ppm; 4.38 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 53 + QD2 LEU 53 OK 100 100 - 100 - 4.3=100 H LYS 95 + QD2 LEU 53 OK 47 65 - 72 - 2.9/11725=26, ~11724=16...(14) Peak 1679 from cnoeabs.peaks (4.18, 0.97, 25.20 ppm; 3.58 A): 1 out of 2 assignments used, quality = 0.94: * HA LEU 53 + QD2 LEU 53 OK 94 100 - 94 - 3.8=86, 3.0/6668=15...(10) HB THR 83 - QD2 LEU 53 OK 16 57 - 28 - ~9760=12, 1671/2.1=5...(7) Peak 1680 from cnoeabs.peaks (1.52, 0.97, 25.20 ppm; 3.34 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LEU 53 + QD2 LEU 53 OK 100 100 - 100 - 3.1=100 HG LEU 69 - QD2 LEU 53 OK 32 81 - 39 - 1672/2.1=8, 1656/3.1=6...(12) Peak 1681 from cnoeabs.peaks (1.99, 0.97, 25.20 ppm; 3.69 A): 1 out of 7 assignments used, quality = 1.00: * HB3 LEU 53 + QD2 LEU 53 OK 100 100 - 100 - 3.1=100 HG2 PRO 81 - QD2 LEU 53 OK 39 92 - 43 - 1665/2.1=7, 1673/2.1=7...(15) HB ILE 129 - QD2 LEU 53 OK 16 65 - 25 - 3.2/10489=5, 4.6/10497=4...(9) HB2 GLU 55 - QD2 LEU 53 OK 16 98 - 16 - 1673/2.1=3, 6678/4.6=2...(8) HB2 GLU 91 - QD2 LEU 53 OK 14 100 - 14 - 1673/2.1=3, 1665/2.1=2...(6) HB VAL 20 - QD2 LEU 53 OK 14 73 - 19 - ~10710=3, 1673/2.1=3...(9) HB3 PRO 56 - QD2 LEU 53 lone 3 81 - 3 - Peak 1682 from cnoeabs.peaks (1.94, 0.97, 25.20 ppm; 3.43 A): 4 out of 5 assignments used, quality = 1.00: * HG LEU 53 + QD2 LEU 53 OK 100 100 - 100 - 2.1=100 HB2 LYS 95 + QD2 LEU 53 OK 51 100 - 51 - 3.0/11725=16, ~11724=9...(14) HB3 LYS 95 + QD2 LEU 53 OK 48 96 - 50 - 3.0/11725=16, ~11724=9...(14) HG2 PRO 113 + QD2 LEU 53 OK 45 96 - 48 - 2.3/9256=13, 1.8/10142=9...(14) HB3 PRO 81 - QD2 LEU 53 OK 27 65 - 42 - ~11907=13, 2.3/1681=5...(16) Peak 1683 from cnoeabs.peaks (0.79, 0.97, 25.20 ppm; 2.75 A): 1 out of 4 assignments used, quality = 1.00: * QD1 LEU 53 + QD2 LEU 53 OK 100 100 - 100 - 2.1=100 QD2 LEU 49 - QD2 LEU 53 OK 22 98 - 23 - 1667/2.1=4, 1650/3.1=3...(10) QD2 LEU 119 - QD2 LEU 53 poor 9 81 - 10 - 1667/2.1=1, 1650/3.1=1...(4) QD2 LEU 122 - QD2 LEU 53 lone 5 81 - 6 - 5.1/11749=1 Peak 1684 from cnoeabs.peaks (0.97, 0.97, 25.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 53 + QD2 LEU 53 OK 100 100 - 100 Peak 1685 from cnoeabs.peaks (7.55, 0.97, 25.20 ppm; 4.69 A): 1 out of 5 assignments used, quality = 1.00: * H THR 54 + QD2 LEU 53 OK 100 100 - 100 - 4.6=100 H GLN 82 - QD2 LEU 53 OK 25 87 - 29 - 11886/3.1=6, 1643/3.8=6...(7) H LEU 119 - QD2 LEU 53 OK 16 81 - 20 - 1677/2.1=5, 1643/3.8=3...(7) H VAL 77 - QD2 LEU 53 OK 11 81 - 14 - ~11728=2, 1677/2.1=2...(7) HE22 GLN 61 - QD2 LEU 53 lone 3 57 - 5 - 3.5/9256=1, 6669/4.3=1 Peak 1686 from cnoeabs.peaks (7.55, 4.42, 61.58 ppm; 3.82 A): 1 out of 5 assignments used, quality = 1.00: * H THR 54 + HA THR 54 OK 100 100 - 100 - 3.0=100 H LEU 119 - HA THR 54 OK 30 81 - 37 - 6687/3.6=8, 4.6/11774=8...(8) H VAL 77 - HA THR 54 lone 4 81 - 4 - H GLN 82 - HA THR 54 lone 3 87 - 4 - 1697/3.2=1 HE22 GLN 61 - HA THR 54 lone 1 57 - 3 - 9371/11774=1 Peak 1687 from cnoeabs.peaks (4.42, 4.42, 61.58 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA THR 54 + HA THR 54 OK 100 100 - 100 Peak 1688 from cnoeabs.peaks (4.46, 4.42, 61.58 ppm; 2.85 A): 1 out of 4 assignments used, quality = 0.93: * HB THR 54 + HA THR 54 OK 93 100 - 93 - 3.0=84, 2.1/1689=24...(9) HA ASP 64 - HA THR 54 lone 2 92 - 2 - HA SER 106 - HA THR 54 lone 2 92 - 2 - HA PRO 58 - HA THR 54 lone 1 65 - 2 - Peak 1689 from cnoeabs.peaks (1.24, 4.42, 61.58 ppm; 3.09 A): 1 out of 2 assignments used, quality = 0.96: * QG2 THR 54 + HA THR 54 OK 96 100 - 96 - 3.2=90, 2.1/1688=32...(9) QG2 THR 83 - HA THR 54 OK 11 100 - 10 - 6684/3.0=3, 1695/3.0=2...(5) Peak 1690 from cnoeabs.peaks (7.75, 4.42, 61.58 ppm; 4.08 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 55 + HA THR 54 OK 100 100 - 100 - 3.6=100 H VAL 118 - HA THR 54 OK 36 98 - 37 - 6685/3.0=11, 4.0/9269=8...(8) HE22 GLN 68 - HA THR 54 lone 3 73 - 4 - Peak 1691 from cnoeabs.peaks (4.22, 4.46, 69.33 ppm; 4.41 A): 0 out of 6 assignments used, low quality = 0.37: ! HA SER 51 - HB THR 54 OK 26 100 - 26 - 6672/4.0=17, 1614=9 HA HIS 67 - HB THR 54 OK 15 100 - 15 - 6672/4.0=4, 3.0/2110=3...(5) HA SER 99 - HB THR 54 lone 3 100 - 3 - 6672/4.0=2 HB3 SER 38 - HB THR 54 lone 2 87 - 2 - 6672/4.0=1 HA GLU 30 - HB THR 54 lone 1 65 - 2 - HA ALA 34 - HB THR 54 lone 1 73 - 2 - Peak 1692 from cnoeabs.peaks (7.55, 4.46, 69.33 ppm; 4.72 A): 1 out of 5 assignments used, quality = 1.00: * H THR 54 + HB THR 54 OK 100 100 - 100 - 4.0=100 H LEU 119 - HB THR 54 OK 24 81 - 29 - 6687/4.6=9, 1697/2.1=9...(4) H GLN 82 - HB THR 54 lone 4 87 - 5 - 1697/2.1=2 H VAL 77 - HB THR 54 lone 3 81 - 4 - 1697/2.1=1, 1686/3.0=1 HE22 GLN 61 - HB THR 54 lone 1 57 - 2 - Peak 1693 from cnoeabs.peaks (4.42, 4.46, 69.33 ppm; 2.91 A): 1 out of 5 assignments used, quality = 0.96: * HA THR 54 + HB THR 54 OK 96 100 - 96 - 3.0=90, 1689/2.1=25...(9) HA VAL 112 - HB THR 54 lone 6 99 - 7 - 1698/2.1=2, 6682/4.0=2 HA ASN 120 - HB THR 54 lone 6 100 - 6 - 1698/2.1=2, 6682/4.0=1 HA MET 11 - HB THR 54 lone 4 100 - 4 - 1698/2.1=1 HA ASP 71 - HB THR 54 lone 1 73 - 1 - Peak 1694 from cnoeabs.peaks (4.46, 4.46, 69.33 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 54 + HB THR 54 OK 100 100 - 100 Peak 1695 from cnoeabs.peaks (1.24, 4.46, 69.33 ppm; 2.96 A): 1 out of 2 assignments used, quality = 1.00: * QG2 THR 54 + HB THR 54 OK 100 100 - 100 - 2.1=100 QG2 THR 83 - HB THR 54 lone 7 100 - 7 - 1689/3.0=2, 6684/4.0=2 Peak 1696 from cnoeabs.peaks (7.75, 4.46, 69.33 ppm; 4.38 A): 1 out of 3 assignments used, quality = 0.96: * H GLU 55 + HB THR 54 OK 96 100 - 96 - 4.6=87, 3.6/1688=37...(4) H VAL 118 - HB THR 54 OK 29 98 - 29 - 1701/2.1=10, 6685/4.0=10...(4) HE22 GLN 68 - HB THR 54 lone 3 73 - 4 - 6.7/6875=1 Peak 1697 from cnoeabs.peaks (7.55, 1.24, 21.56 ppm; 3.45 A): 2 out of 5 assignments used, quality = 0.93: * H THR 54 + QG2 THR 54 OK 91 100 - 91 - 4.0=64, 3.0/1689=27...(8) H LEU 119 + QG2 THR 54 OK 21 81 - 27 - 4.1/9275=11, 6687/4.2=5...(5) H GLN 82 - QG2 THR 54 lone 4 87 - 5 - 1643/9263=1, 4.6/11222=1 H VAL 77 - QG2 THR 54 lone 3 81 - 3 - HE22 GLN 61 - QG2 THR 54 lone 1 57 - 1 - Peak 1698 from cnoeabs.peaks (4.42, 1.24, 21.56 ppm; 2.97 A): 1 out of 5 assignments used, quality = 0.92: * HA THR 54 + QG2 THR 54 OK 92 100 - 92 - 3.2=79, 1688/2.1=30...(9) HA ASN 120 - QG2 THR 54 lone 8 100 - 8 - 11565/9275=2, 1693/2.1=2...(4) HA VAL 112 - QG2 THR 54 lone 7 99 - 7 - 1693/2.1=2, 6682/4.0=2 HA MET 11 - QG2 THR 54 lone 4 100 - 4 - 1693/2.1=1 HA ASP 71 - QG2 THR 54 lone 1 73 - 1 - Peak 1699 from cnoeabs.peaks (4.46, 1.24, 21.56 ppm; 2.82 A): 1 out of 4 assignments used, quality = 1.00: * HB THR 54 + QG2 THR 54 OK 100 100 - 100 - 2.1=100 HA ASP 64 - QG2 THR 54 lone 3 92 - 3 - HA SER 106 - QG2 THR 54 lone 2 92 - 2 - HA PRO 58 - QG2 THR 54 lone 1 65 - 1 - Peak 1700 from cnoeabs.peaks (1.24, 1.24, 21.56 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 54 + QG2 THR 54 OK 100 100 - 100 Peak 1701 from cnoeabs.peaks (7.75, 1.24, 21.56 ppm; 4.20 A): 1 out of 3 assignments used, quality = 0.99: * H GLU 55 + QG2 THR 54 OK 99 100 - 99 - 4.2=98, 6689/2.1=34...(7) H VAL 118 - QG2 THR 54 OK 38 98 - 39 - 3.9/9275=17, 6685/4.0=9...(5) HE22 GLN 68 - QG2 THR 54 lone 3 73 - 4 - Peak 1702 from cnoeabs.peaks (7.75, 4.76, 53.40 ppm; 6.22 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 55 + HA GLU 55 OK 100 100 - 100 - 3.0=100 H VAL 118 - HA GLU 55 OK 42 98 - 43 - 1714/3.0=10, 1708/3.0=10...(6) HE22 GLN 68 - HA GLU 55 OK 10 73 - 14 - 1708/3.0=2, 1714/3.0=2...(7) Peak 1703 from cnoeabs.peaks (4.76, 4.76, 53.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 55 + HA GLU 55 OK 100 100 - 100 Peak 1704 from cnoeabs.peaks (1.99, 4.76, 53.40 ppm; 5.45 A): 2 out of 4 assignments used, quality = 1.00: * HB2 GLU 55 + HA GLU 55 OK 100 100 - 100 - 3.0=100 HB2 GLU 91 + HA GLU 55 OK 51 96 - 54 - 1728/3.9=9, 1722/3.9=8...(14) HB3 LEU 53 - HA GLU 55 OK 26 98 - 26 - 6692/3.0=6, 1728/3.9=4...(9) HG2 PRO 81 - HA GLU 55 poor 8 73 - 11 - 6692/3.0=2, ~3726=1, ~3718=1 Peak 1705 from cnoeabs.peaks (2.04, 4.76, 53.40 ppm; 6.80 A): 2 out of 6 assignments used, quality = 1.00: * HB3 GLU 55 + HA GLU 55 OK 100 100 - 100 - 3.0=100 HB3 GLU 40 + HA GLU 55 OK 62 87 - 71 - 3.0/1707=15, ~1719=14...(12) QE MET 11 - HA GLU 55 OK 43 100 - 43 - 3.3/1706=11, ~1712=8...(8) HB3 GLU 91 - HA GLU 55 OK 40 65 - 61 - 1.8/1704=14, ~2852=8...(14) HG3 PRO 117 - HA GLU 55 OK 31 65 - 47 - ~3678=10, ~3710=9...(7) HG3 ARG 135 - HA GLU 55 lone 7 65 - 10 - 1271/1707=1, ~4317=1 Peak 1706 from cnoeabs.peaks (2.47, 4.76, 53.40 ppm; 5.21 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLU 55 + HA GLU 55 OK 100 100 - 100 - 3.9=100 HG2 MET 11 - HA GLU 55 OK 34 100 - 34 - 1712/3.0=9, 1718/3.0=9...(7) HG3 GLN 104 - HA GLU 55 OK 11 81 - 13 - 1718/3.0=4, 1712/3.0=4...(4) Peak 1707 from cnoeabs.peaks (2.40, 4.76, 53.40 ppm; 6.38 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 55 + HA GLU 55 OK 100 100 - 100 - 3.9=100 HG3 GLU 40 + HA GLU 55 OK 60 98 - 61 - 1719/3.0=18, 1713/3.0=18...(9) Peak 1708 from cnoeabs.peaks (7.75, 1.99, 30.10 ppm; 4.93 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 55 + HB2 GLU 55 OK 100 100 - 100 - 3.8=100 H VAL 118 - HB2 GLU 55 OK 30 98 - 31 - 1714/1.8=9, 1720/3.0=7...(5) HE22 GLN 68 - HB2 GLU 55 lone 7 73 - 9 - 1714/1.8=2, 1702/3.0=2...(4) Peak 1709 from cnoeabs.peaks (4.76, 1.99, 30.10 ppm; 4.61 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 55 + HB2 GLU 55 OK 100 100 - 100 - 3.0=100 Peak 1710 from cnoeabs.peaks (1.99, 1.99, 30.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 55 + HB2 GLU 55 OK 100 100 - 100 Peak 1711 from cnoeabs.peaks (2.04, 1.99, 30.10 ppm; 2.66 A): 1 out of 6 assignments used, quality = 1.00: * HB3 GLU 55 + HB2 GLU 55 OK 100 100 - 100 - 1.8=100 HB3 GLU 40 - HB2 GLU 55 OK 22 87 - 25 - 1259/3.0=4, 3.0/1713=3...(12) HB3 GLU 91 - HB2 GLU 55 OK 17 65 - 26 - 2871=3, 3.0/2878=3...(13) QE MET 11 - HB2 GLU 55 lone 9 100 - 9 - 3.3/1712=2, 1723/3.0=2...(5) HG3 PRO 117 - HB2 GLU 55 lone 2 65 - 3 - 6693/3.8=1 HG3 ARG 135 - HB2 GLU 55 lone 1 65 - 2 - Peak 1712 from cnoeabs.peaks (2.47, 1.99, 30.10 ppm; 4.62 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLU 55 + HB2 GLU 55 OK 100 100 - 100 - 3.0=100 HG2 MET 11 - HB2 GLU 55 OK 37 100 - 37 - 1718/1.8=9, 1706/3.0=6...(11) HG3 GLN 104 - HB2 GLU 55 OK 16 81 - 19 - 1718/1.8=4, ~3427=3...(9) Peak 1713 from cnoeabs.peaks (2.40, 1.99, 30.10 ppm; 4.70 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 55 + HB2 GLU 55 OK 100 100 - 100 - 3.0=100 HG3 GLU 40 + HB2 GLU 55 OK 60 98 - 61 - 1719/1.8=16, 1725/3.0=8...(13) Peak 1714 from cnoeabs.peaks (7.75, 2.04, 30.10 ppm; 4.73 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 55 + HB3 GLU 55 OK 100 100 - 100 - 3.8=100 H VAL 118 - HB3 GLU 55 OK 31 98 - 31 - 1708/1.8=8, 1720/3.0=7...(6) HE22 GLN 68 - HB3 GLU 55 lone 6 73 - 8 - 1708/1.8=2, 1702/3.0=1...(4) Peak 1715 from cnoeabs.peaks (4.76, 2.04, 30.10 ppm; 4.70 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 55 + HB3 GLU 55 OK 100 100 - 100 - 3.0=100 Peak 1716 from cnoeabs.peaks (1.99, 2.04, 30.10 ppm; 2.50 A): 1 out of 4 assignments used, quality = 1.00: * HB2 GLU 55 + HB3 GLU 55 OK 100 100 - 100 - 1.8=100 HB2 GLU 91 - HB3 GLU 55 OK 19 96 - 20 - 1722/3.0=3, 1728/3.0=3...(10) HB3 LEU 53 - HB3 GLU 55 lone 7 98 - 7 - 6692/3.8=1, 1728/3.0=1 HG2 PRO 81 - HB3 GLU 55 lone 2 73 - 2 - Peak 1717 from cnoeabs.peaks (2.04, 2.04, 30.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 55 + HB3 GLU 55 OK 100 100 - 100 Peak 1718 from cnoeabs.peaks (2.47, 2.04, 30.10 ppm; 4.76 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLU 55 + HB3 GLU 55 OK 100 100 - 100 - 3.0=100 HG2 MET 11 - HB3 GLU 55 OK 38 100 - 38 - 1712/1.8=10, 1706/3.0=7...(11) HG3 GLN 104 - HB3 GLU 55 OK 17 81 - 20 - 1712/1.8=4, ~3427=3...(9) Peak 1719 from cnoeabs.peaks (2.40, 2.04, 30.10 ppm; 4.37 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 55 + HB3 GLU 55 OK 100 100 - 100 - 3.0=100 HG3 GLU 40 + HB3 GLU 55 OK 60 98 - 61 - 1713/1.8=13, 1725/3.0=8...(16) Peak 1720 from cnoeabs.peaks (7.75, 2.47, 33.76 ppm; 4.06 A): 2 out of 3 assignments used, quality = 0.94: * H GLU 55 + HG2 GLU 55 OK 93 100 - 93 - 4.9=55, 3.0/1721=34...(9) H VAL 118 + HG2 GLU 55 OK 20 98 - 20 - 1726/1.8=6, 1714/3.0=5...(4) HE22 GLN 68 - HG2 GLU 55 lone 4 73 - 5 - 1726/1.8=1, 1708/3.0=1 Peak 1721 from cnoeabs.peaks (4.76, 2.47, 33.76 ppm; 3.68 A): 1 out of 1 assignment used, quality = 0.97: * HA GLU 55 + HG2 GLU 55 OK 97 100 - 97 - 3.9=86, 1727/1.8=36...(10) Peak 1722 from cnoeabs.peaks (1.99, 2.47, 33.76 ppm; 3.22 A): 1 out of 4 assignments used, quality = 1.00: * HB2 GLU 55 + HG2 GLU 55 OK 100 100 - 100 - 3.0=100 HB2 GLU 91 - HG2 GLU 55 OK 26 96 - 28 - 1728/1.8=6, 1716/3.0=4...(11) HB3 LEU 53 - HG2 GLU 55 OK 10 98 - 10 - 1728/1.8=3, 1716/3.0=2...(5) HG2 PRO 81 - HG2 GLU 55 lone 2 73 - 3 - Peak 1723 from cnoeabs.peaks (2.04, 2.47, 33.76 ppm; 2.93 A): 1 out of 6 assignments used, quality = 0.95: * HB3 GLU 55 + HG2 GLU 55 OK 95 100 - 95 - 3.0=92, 3.0/1721=17...(6) HB3 GLU 40 - HG2 GLU 55 OK 27 87 - 31 - 1729/1.8=7, ~1252=5...(11) QE MET 11 - HG2 GLU 55 OK 14 100 - 14 - 1729/1.8=2, 3.3/158=2...(8) HB3 GLU 91 - HG2 GLU 55 OK 14 65 - 21 - 1.8/1722=5, ~1728=3...(9) HG3 PRO 117 - HG2 GLU 55 lone 2 65 - 3 - HG3 ARG 135 - HG2 GLU 55 lone 1 65 - 2 - Peak 1724 from cnoeabs.peaks (2.47, 2.47, 33.76 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 55 + HG2 GLU 55 OK 100 100 - 100 Peak 1725 from cnoeabs.peaks (2.40, 2.47, 33.76 ppm; 2.50 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLU 55 + HG2 GLU 55 OK 100 100 - 100 - 1.8=100 HG3 GLU 40 - HG2 GLU 55 OK 20 98 - 20 - 1719/3.0=3, 3.0/1723=3...(10) Peak 1726 from cnoeabs.peaks (7.75, 2.40, 33.76 ppm; 4.08 A): 2 out of 3 assignments used, quality = 0.93: * H GLU 55 + HG3 GLU 55 OK 91 100 - 91 - 4.9=56, 3.0/1727=34...(6) H VAL 118 + HG3 GLU 55 OK 19 98 - 20 - 1720/1.8=7, 1714/3.0=5...(4) HE22 GLN 68 - HG3 GLU 55 lone 4 73 - 5 - 1720/1.8=1, 1708/3.0=1 Peak 1727 from cnoeabs.peaks (4.76, 2.40, 33.76 ppm; 3.71 A): 1 out of 1 assignment used, quality = 0.97: * HA GLU 55 + HG3 GLU 55 OK 97 100 - 97 - 3.9=89, 1721/1.8=37...(8) Peak 1728 from cnoeabs.peaks (1.99, 2.40, 33.76 ppm; 3.45 A): 1 out of 4 assignments used, quality = 1.00: * HB2 GLU 55 + HG3 GLU 55 OK 100 100 - 100 - 3.0=100 HB2 GLU 91 - HG3 GLU 55 OK 29 96 - 31 - 1722/1.8=7, 1716/3.0=5...(14) HB3 LEU 53 - HG3 GLU 55 OK 12 98 - 12 - 1722/1.8=3, 1716/3.0=2...(5) HG2 PRO 81 - HG3 GLU 55 lone 3 73 - 3 - Peak 1729 from cnoeabs.peaks (2.04, 2.40, 33.76 ppm; 3.33 A): 1 out of 6 assignments used, quality = 1.00: * HB3 GLU 55 + HG3 GLU 55 OK 100 100 - 100 - 3.0=100 HB3 GLU 40 - HG3 GLU 55 OK 45 87 - 52 - 1259=11, 1.8/1252=10...(17) HB3 GLU 91 - HG3 GLU 55 OK 18 65 - 28 - 1.8/1728=7, ~1722=4...(11) QE MET 11 - HG3 GLU 55 OK 15 100 - 15 - 1723/1.8=4, 3.3/1730=3...(7) HG3 ARG 135 - HG3 GLU 55 lone 3 65 - 5 - HG3 PRO 117 - HG3 GLU 55 lone 3 65 - 4 - 6693/4.9=1 Peak 1730 from cnoeabs.peaks (2.47, 2.40, 33.76 ppm; 2.50 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLU 55 + HG3 GLU 55 OK 100 100 - 100 - 1.8=100 HG2 MET 11 - HG3 GLU 55 OK 10 100 - 10 - 1712/3.0=2, 1718/3.0=2...(7) HG3 GLN 104 - HG3 GLU 55 lone 5 81 - 6 - ~3446=1 Peak 1731 from cnoeabs.peaks (2.40, 2.40, 33.76 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 55 + HG3 GLU 55 OK 100 100 - 100 Peak 1732 from cnoeabs.peaks (4.76, 3.66, 49.73 ppm; 3.49 A): 1 out of 1 assignment used, quality = 0.91: * HA GLU 55 + HD2 PRO 56 OK 91 100 - 91 - 3.8=79, 1734/1.8=37...(7) Peak 1733 from cnoeabs.peaks (3.66, 4.76, 53.40 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * HD2 PRO 56 + HA GLU 55 OK 100 100 - 100 - 3.8=100 HD3 PRO 56 + HA GLU 55 OK 73 73 - 100 - 3.8=100 Peak 1734 from cnoeabs.peaks (4.76, 3.65, 49.73 ppm; 3.44 A): 1 out of 1 assignment used, quality = 0.89: * HA GLU 55 + HD3 PRO 56 OK 89 100 - 89 - 3.8=76, 1732/1.8=35...(7) Peak 1735 from cnoeabs.peaks (3.65, 4.76, 53.40 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * HD3 PRO 56 + HA GLU 55 OK 100 100 - 100 - 3.8=100 HD2 PRO 56 + HA GLU 55 OK 73 73 - 100 - 3.8=100 Peak 1737 from cnoeabs.peaks (2.13, 3.66, 49.73 ppm; 4.50 A): 2 out of 2 assignments used, quality = 1.00: * HB2 PRO 56 + HD2 PRO 56 OK 100 100 - 100 - 3.0=100 HB2 GLU 97 + HD2 PRO 56 OK 48 99 - 48 - 1745/1.8=13, 1769/3.0=10...(10) Peak 1738 from cnoeabs.peaks (2.00, 3.66, 49.73 ppm; 3.16 A): 3 out of 9 assignments used, quality = 1.00: * HB3 PRO 56 + HD2 PRO 56 OK 100 100 - 100 - 3.0=100 HG2 PRO 56 + HD2 PRO 56 OK 81 81 - 100 - 2.3=100 HG3 PRO 56 + HD2 PRO 56 OK 81 81 - 100 - 2.3=100 HB3 PRO 117 - HD2 PRO 56 poor 8 73 - 11 - ~3697=2, ~3689=2...(6) HB ILE 129 - HD2 PRO 56 lone 8 99 - 8 - ~4138=1, 1762/3.0=1 HG2 PRO 81 - HD2 PRO 56 lone 5 99 - 5 - HB2 GLU 91 - HD2 PRO 56 lone 4 87 - 4 - 2864/4.8=1 HB VAL 20 - HD2 PRO 56 lone 2 100 - 2 - HB3 LEU 53 - HD2 PRO 56 lone 2 81 - 3 - Peak 1739 from cnoeabs.peaks (2.01, 3.66, 49.73 ppm; 3.16 A): 3 out of 7 assignments used, quality = 1.00: * HG2 PRO 56 + HD2 PRO 56 OK 100 100 - 100 - 2.3=100 HG3 PRO 56 + HD2 PRO 56 OK 100 100 - 100 - 2.3=100 HB3 PRO 56 + HD2 PRO 56 OK 81 81 - 100 - 3.0=100 HB3 PRO 117 - HD2 PRO 56 OK 13 100 - 13 - 3710/4.8=2, ~3697=2...(6) HB ILE 129 - HD2 PRO 56 lone 7 92 - 7 - ~4138=1 HG2 PRO 81 - HD2 PRO 56 lone 3 65 - 4 - HB VAL 20 - HD2 PRO 56 lone 2 87 - 2 - Peak 1740 from cnoeabs.peaks (2.01, 3.66, 49.73 ppm; 3.16 A): 3 out of 7 assignments used, quality = 1.00: HG2 PRO 56 + HD2 PRO 56 OK 100 100 - 100 - 2.3=100 * HG3 PRO 56 + HD2 PRO 56 OK 100 100 - 100 - 2.3=100 HB3 PRO 56 + HD2 PRO 56 OK 81 81 - 100 - 3.0=100 HB3 PRO 117 - HD2 PRO 56 OK 13 100 - 13 - 3710/4.8=2, ~3697=2...(6) HB ILE 129 - HD2 PRO 56 lone 7 92 - 7 - ~4138=1 HG2 PRO 81 - HD2 PRO 56 lone 3 65 - 4 - HB VAL 20 - HD2 PRO 56 lone 2 87 - 2 - Peak 1741 from cnoeabs.peaks (3.66, 3.66, 49.73 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 56 + HD2 PRO 56 OK 100 100 - 100 Peak 1742 from cnoeabs.peaks (3.65, 3.66, 49.73 ppm; diagonal): 1 out of 1 assignment used, quality = 0.73: HD2 PRO 56 + HD2 PRO 56 OK 73 73 - 100 Reference assignment not found: HD3 PRO 56 - HD2 PRO 56 Peak 1745 from cnoeabs.peaks (2.13, 3.65, 49.73 ppm; 4.43 A): 2 out of 2 assignments used, quality = 1.00: * HB2 PRO 56 + HD3 PRO 56 OK 100 100 - 100 - 3.0=100 HB2 GLU 97 + HD3 PRO 56 OK 47 99 - 47 - 1737/1.8=12, 1769/3.0=10...(10) Peak 1746 from cnoeabs.peaks (2.00, 3.65, 49.73 ppm; 3.13 A): 3 out of 9 assignments used, quality = 1.00: * HB3 PRO 56 + HD3 PRO 56 OK 100 100 - 100 - 3.0=100 HG2 PRO 56 + HD3 PRO 56 OK 81 81 - 100 - 2.3=100 HG3 PRO 56 + HD3 PRO 56 OK 81 81 - 100 - 2.3=100 HB3 PRO 117 - HD3 PRO 56 poor 9 73 - 13 - ~3697=2, 4.3/9293=2...(6) HB ILE 129 - HD3 PRO 56 lone 8 99 - 8 - ~4138=1, 1762/3.0=1 HG2 PRO 81 - HD3 PRO 56 lone 5 99 - 5 - HB2 GLU 91 - HD3 PRO 56 lone 4 87 - 4 - 2864/4.8=1 HB VAL 20 - HD3 PRO 56 lone 3 100 - 3 - HB3 LEU 53 - HD3 PRO 56 lone 2 81 - 3 - Peak 1747 from cnoeabs.peaks (2.01, 3.65, 49.73 ppm; 3.13 A): 3 out of 7 assignments used, quality = 1.00: * HG2 PRO 56 + HD3 PRO 56 OK 100 100 - 100 - 2.3=100 HG3 PRO 56 + HD3 PRO 56 OK 100 100 - 100 - 2.3=100 HB3 PRO 56 + HD3 PRO 56 OK 81 81 - 100 - 3.0=100 HB3 PRO 117 - HD3 PRO 56 OK 14 100 - 14 - 3710/4.8=2, ~3697=2...(7) HB ILE 129 - HD3 PRO 56 lone 7 92 - 7 - ~4138=1 HG2 PRO 81 - HD3 PRO 56 lone 3 65 - 4 - HB VAL 20 - HD3 PRO 56 lone 2 87 - 3 - Peak 1748 from cnoeabs.peaks (2.01, 3.65, 49.73 ppm; 3.13 A): 3 out of 7 assignments used, quality = 1.00: HG2 PRO 56 + HD3 PRO 56 OK 100 100 - 100 - 2.3=100 * HG3 PRO 56 + HD3 PRO 56 OK 100 100 - 100 - 2.3=100 HB3 PRO 56 + HD3 PRO 56 OK 81 81 - 100 - 3.0=100 HB3 PRO 117 - HD3 PRO 56 OK 14 100 - 14 - 3710/4.8=2, ~3697=2...(7) HB ILE 129 - HD3 PRO 56 lone 7 92 - 7 - ~4138=1 HG2 PRO 81 - HD3 PRO 56 lone 3 65 - 4 - HB VAL 20 - HD3 PRO 56 lone 2 87 - 3 - Peak 1749 from cnoeabs.peaks (3.66, 3.65, 49.73 ppm; diagonal): 1 out of 1 assignment used, quality = 0.73: HD3 PRO 56 + HD3 PRO 56 OK 73 73 - 100 Reference assignment not found: HD2 PRO 56 - HD3 PRO 56 Peak 1750 from cnoeabs.peaks (3.65, 3.65, 49.73 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 56 + HD3 PRO 56 OK 100 100 - 100 Peak 1752 from cnoeabs.peaks (4.67, 4.67, 62.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PRO 56 + HA PRO 56 OK 100 100 - 100 Peak 1753 from cnoeabs.peaks (2.13, 4.67, 62.91 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * HB2 PRO 56 + HA PRO 56 OK 100 100 - 100 - 2.3=100 HB2 GLU 97 + HA PRO 56 OK 70 99 - 70 - 1737/3.6=16, 1745/3.6=16...(10) Peak 1754 from cnoeabs.peaks (2.00, 4.67, 62.91 ppm; 5.60 A): 3 out of 9 assignments used, quality = 1.00: * HB3 PRO 56 + HA PRO 56 OK 100 100 - 100 - 2.3=100 HG2 PRO 56 + HA PRO 56 OK 81 81 - 100 - 3.8=100 HG3 PRO 56 + HA PRO 56 OK 81 81 - 100 - 3.8=100 HB ILE 129 - HA PRO 56 OK 31 99 - 32 - 4128/3.6=12, ~4138=4...(9) HB3 PRO 117 - HA PRO 56 OK 14 73 - 19 - ~3697=3, ~3681=3...(8) HG2 PRO 81 - HA PRO 56 OK 14 99 - 13 - ~2486=2, ~2482=2...(4) HB VAL 20 - HA PRO 56 lone 8 100 - 8 - ~338=2, ~356=2, ~350=2 HB2 GLU 91 - HA PRO 56 lone 7 87 - 8 - 1704/4.8=2 HB3 LEU 53 - HA PRO 56 lone 5 81 - 6 - 1704/4.8=1 Peak 1755 from cnoeabs.peaks (2.01, 4.67, 62.91 ppm; 5.60 A): 3 out of 7 assignments used, quality = 1.00: * HG2 PRO 56 + HA PRO 56 OK 100 100 - 100 - 3.8=100 HG3 PRO 56 + HA PRO 56 OK 100 100 - 100 - 3.8=100 HB3 PRO 56 + HA PRO 56 OK 81 81 - 100 - 2.3=100 HB ILE 129 - HA PRO 56 OK 27 92 - 30 - 4128/3.6=10, ~4138=4...(9) HB3 PRO 117 - HA PRO 56 OK 21 100 - 20 - ~3697=3, ~3681=3...(8) HG2 PRO 81 - HA PRO 56 poor 8 65 - 12 - ~2486=2, ~2482=2...(4) HB VAL 20 - HA PRO 56 lone 7 87 - 8 - ~338=2, ~356=2, ~350=2 Peak 1756 from cnoeabs.peaks (2.01, 4.67, 62.91 ppm; 5.60 A): 3 out of 7 assignments used, quality = 1.00: HG2 PRO 56 + HA PRO 56 OK 100 100 - 100 - 3.8=100 * HG3 PRO 56 + HA PRO 56 OK 100 100 - 100 - 3.8=100 HB3 PRO 56 + HA PRO 56 OK 81 81 - 100 - 2.3=100 HB ILE 129 - HA PRO 56 OK 27 92 - 30 - 4128/3.6=10, ~4138=4...(9) HB3 PRO 117 - HA PRO 56 OK 21 100 - 20 - ~3697=3, ~3681=3...(8) HG2 PRO 81 - HA PRO 56 poor 8 65 - 12 - ~2486=2, ~2482=2...(4) HB VAL 20 - HA PRO 56 lone 7 87 - 8 - ~338=2, ~356=2, ~350=2 Peak 1757 from cnoeabs.peaks (3.66, 4.67, 62.91 ppm; 4.42 A): 2 out of 2 assignments used, quality = 1.00: * HD2 PRO 56 + HA PRO 56 OK 100 100 - 100 - 3.6=100 HD3 PRO 56 + HA PRO 56 OK 73 73 - 100 - 3.6=100 Peak 1758 from cnoeabs.peaks (3.65, 4.67, 62.91 ppm; 4.42 A): 2 out of 2 assignments used, quality = 1.00: * HD3 PRO 56 + HA PRO 56 OK 100 100 - 100 - 3.6=100 HD2 PRO 56 + HA PRO 56 OK 73 73 - 100 - 3.6=100 Peak 1760 from cnoeabs.peaks (4.67, 2.13, 29.23 ppm; 4.15 A): 1 out of 2 assignments used, quality = 1.00: * HA PRO 56 + HB2 PRO 56 OK 100 100 - 100 - 2.3=100 HA ASN 13 - HB2 PRO 56 lone 8 87 - 9 - 1768/1.8=3 Peak 1761 from cnoeabs.peaks (2.13, 2.13, 29.23 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 56 + HB2 PRO 56 OK 100 100 - 100 Peak 1762 from cnoeabs.peaks (2.00, 2.13, 29.23 ppm; 2.91 A): 3 out of 9 assignments used, quality = 1.00: * HB3 PRO 56 + HB2 PRO 56 OK 100 100 - 100 - 1.8=100 HG2 PRO 56 + HB2 PRO 56 OK 81 81 - 100 - 2.3=100 HG3 PRO 56 + HB2 PRO 56 OK 81 81 - 100 - 2.3=100 HB ILE 129 - HB2 PRO 56 OK 12 99 - 12 - 4128/3.9=3, 3.8/1767=2...(5) HB3 PRO 117 - HB2 PRO 56 lone 6 73 - 8 - ~3697=2, ~3689=1...(4) HG2 PRO 81 - HB2 PRO 56 lone 5 99 - 5 - HB VAL 20 - HB2 PRO 56 lone 3 100 - 3 - HB2 GLU 91 - HB2 PRO 56 lone 2 87 - 2 - HB3 LEU 53 - HB2 PRO 56 lone 1 81 - 2 - Peak 1763 from cnoeabs.peaks (2.01, 2.13, 29.23 ppm; 2.91 A): 3 out of 7 assignments used, quality = 1.00: * HG2 PRO 56 + HB2 PRO 56 OK 100 100 - 100 - 2.3=100 HG3 PRO 56 + HB2 PRO 56 OK 100 100 - 100 - 2.3=100 HB3 PRO 56 + HB2 PRO 56 OK 81 81 - 100 - 1.8=100 HB ILE 129 - HB2 PRO 56 OK 10 92 - 11 - 4128/3.9=3, 3.8/1767=2...(5) HB3 PRO 117 - HB2 PRO 56 lone 9 100 - 9 - ~3697=2, ~3689=1...(4) HG2 PRO 81 - HB2 PRO 56 lone 3 65 - 4 - HB VAL 20 - HB2 PRO 56 lone 2 87 - 2 - Peak 1764 from cnoeabs.peaks (2.01, 2.13, 29.23 ppm; 2.91 A): 3 out of 7 assignments used, quality = 1.00: HG2 PRO 56 + HB2 PRO 56 OK 100 100 - 100 - 2.3=100 * HG3 PRO 56 + HB2 PRO 56 OK 100 100 - 100 - 2.3=100 HB3 PRO 56 + HB2 PRO 56 OK 81 81 - 100 - 1.8=100 HB ILE 129 - HB2 PRO 56 OK 10 92 - 11 - 4128/3.9=3, 3.8/1767=2...(5) HB3 PRO 117 - HB2 PRO 56 lone 9 100 - 9 - ~3697=2, ~3689=1...(4) HG2 PRO 81 - HB2 PRO 56 lone 3 65 - 4 - HB VAL 20 - HB2 PRO 56 lone 2 87 - 2 - Peak 1765 from cnoeabs.peaks (3.66, 2.13, 29.23 ppm; 4.27 A): 2 out of 2 assignments used, quality = 1.00: * HD2 PRO 56 + HB2 PRO 56 OK 100 100 - 100 - 3.0=100 HD3 PRO 56 + HB2 PRO 56 OK 73 73 - 100 - 3.0=100 Peak 1766 from cnoeabs.peaks (3.65, 2.13, 29.23 ppm; 4.27 A): 2 out of 2 assignments used, quality = 1.00: * HD3 PRO 56 + HB2 PRO 56 OK 100 100 - 100 - 3.0=100 HD2 PRO 56 + HB2 PRO 56 OK 73 73 - 100 - 3.0=100 Peak 1767 from cnoeabs.peaks (8.01, 2.13, 29.23 ppm; 5.01 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 57 + HB2 PRO 56 OK 100 100 - 100 - 3.9=100 H ILE 129 - HB2 PRO 56 OK 25 96 - 26 - 1775/1.8=11, 1791/2.3=5...(5) Peak 1768 from cnoeabs.peaks (4.67, 2.00, 29.23 ppm; 4.25 A): 1 out of 2 assignments used, quality = 1.00: * HA PRO 56 + HB3 PRO 56 OK 100 100 - 100 - 2.3=100 HA ASN 13 - HB3 PRO 56 lone 8 87 - 9 - 1760/1.8=3, 1784/2.3=1 Peak 1769 from cnoeabs.peaks (2.13, 2.00, 29.23 ppm; 3.19 A): 1 out of 2 assignments used, quality = 1.00: * HB2 PRO 56 + HB3 PRO 56 OK 100 100 - 100 - 1.8=100 HB2 GLU 97 - HB3 PRO 56 OK 32 99 - 32 - 1745/3.0=5, ~3128=5...(10) Peak 1770 from cnoeabs.peaks (2.00, 2.00, 29.23 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 PRO 56 + HB3 PRO 56 OK 100 100 - 100 Peak 1771 from cnoeabs.peaks (2.01, 2.00, 29.23 ppm; diagonal): 1 out of 1 assignment used, quality = 0.81: HB3 PRO 56 + HB3 PRO 56 OK 81 81 - 100 Reference assignment not found: HG2 PRO 56 - HB3 PRO 56 Peak 1772 from cnoeabs.peaks (2.01, 2.00, 29.23 ppm; diagonal): 1 out of 1 assignment used, quality = 0.81: HB3 PRO 56 + HB3 PRO 56 OK 81 81 - 100 Reference assignment not found: HG3 PRO 56 - HB3 PRO 56 Peak 1773 from cnoeabs.peaks (3.66, 2.00, 29.23 ppm; 4.31 A): 2 out of 2 assignments used, quality = 1.00: * HD2 PRO 56 + HB3 PRO 56 OK 100 100 - 100 - 3.0=100 HD3 PRO 56 + HB3 PRO 56 OK 73 73 - 100 - 3.0=100 Peak 1774 from cnoeabs.peaks (3.65, 2.00, 29.23 ppm; 4.31 A): 2 out of 2 assignments used, quality = 1.00: * HD3 PRO 56 + HB3 PRO 56 OK 100 100 - 100 - 3.0=100 HD2 PRO 56 + HB3 PRO 56 OK 73 73 - 100 - 3.0=100 Peak 1775 from cnoeabs.peaks (8.01, 2.00, 29.23 ppm; 5.27 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 57 + HB3 PRO 56 OK 100 100 - 100 - 3.9=100 H ILE 129 - HB3 PRO 56 OK 42 96 - 44 - 1767/1.8=9, 1783/2.3=6...(12) Peak 1776 from cnoeabs.peaks (4.67, 2.01, 27.58 ppm; 4.82 A): 2 out of 4 assignments used, quality = 1.00: * HA PRO 56 + HG2 PRO 56 OK 100 100 - 100 - 3.8=100 HA PRO 56 + HG3 PRO 56 OK 100 100 - 100 - 3.8=100 HA ASN 13 - HG2 PRO 56 lone 7 87 - 8 - 1768/2.3=3, 1760/2.3=3 HA ASN 13 - HG3 PRO 56 lone 7 87 - 8 - 1768/2.3=3, 1760/2.3=3 Peak 1777 from cnoeabs.peaks (2.13, 2.01, 27.58 ppm; 3.15 A): 2 out of 4 assignments used, quality = 1.00: HB2 PRO 56 + HG3 PRO 56 OK 100 100 - 100 - 2.3=100 * HB2 PRO 56 + HG2 PRO 56 OK 100 100 - 100 - 2.3=100 HB2 GLU 97 - HG3 PRO 56 OK 28 99 - 28 - 1769/2.3=7, 1745/2.3=5...(8) HB2 GLU 97 - HG2 PRO 56 OK 28 99 - 28 - 1769/2.3=7, 1745/2.3=5...(8) Peak 1778 from cnoeabs.peaks (2.00, 2.01, 27.58 ppm; diagonal): 2 out of 2 assignments used, quality = 0.96: HG3 PRO 56 + HG3 PRO 56 OK 81 81 - 100 HG2 PRO 56 + HG2 PRO 56 OK 81 81 - 100 Reference assignment not found: HB3 PRO 56 - HG2 PRO 56 Peak 1779 from cnoeabs.peaks (2.01, 2.01, 27.58 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG3 PRO 56 + HG3 PRO 56 OK 100 100 - 100 * HG2 PRO 56 + HG2 PRO 56 OK 100 100 - 100 Peak 1780 from cnoeabs.peaks (2.01, 2.01, 27.58 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG3 PRO 56 + HG3 PRO 56 OK 100 100 - 100 HG2 PRO 56 + HG2 PRO 56 OK 100 100 - 100 Reference assignment not found: HG3 PRO 56 - HG2 PRO 56 Peak 1781 from cnoeabs.peaks (3.66, 2.01, 27.58 ppm; 3.30 A): 4 out of 4 assignments used, quality = 1.00: HD2 PRO 56 + HG3 PRO 56 OK 100 100 - 100 - 2.3=100 * HD2 PRO 56 + HG2 PRO 56 OK 100 100 - 100 - 2.3=100 HD3 PRO 56 + HG3 PRO 56 OK 73 73 - 100 - 2.3=100 HD3 PRO 56 + HG2 PRO 56 OK 73 73 - 100 - 2.3=100 Peak 1782 from cnoeabs.peaks (3.65, 2.01, 27.58 ppm; 3.30 A): 4 out of 4 assignments used, quality = 1.00: * HD3 PRO 56 + HG2 PRO 56 OK 100 100 - 100 - 2.3=100 HD3 PRO 56 + HG3 PRO 56 OK 100 100 - 100 - 2.3=100 HD2 PRO 56 + HG2 PRO 56 OK 73 73 - 100 - 2.3=100 HD2 PRO 56 + HG3 PRO 56 OK 73 73 - 100 - 2.3=100 Peak 1783 from cnoeabs.peaks (8.01, 2.01, 27.58 ppm; 5.17 A): 2 out of 4 assignments used, quality = 0.97: H VAL 57 + HG3 PRO 56 OK 81 100 - 82 - 6697/3.8=40, 6703/2.3=23...(8) * H VAL 57 + HG2 PRO 56 OK 81 100 - 82 - 6697/3.8=40, 6703/2.3=23...(8) H ILE 129 - HG3 PRO 56 OK 36 96 - 37 - 1775/2.3=11, 1767/2.3=8...(11) H ILE 129 - HG2 PRO 56 OK 36 96 - 37 - 1775/2.3=11, 1767/2.3=8...(11) Peak 1784 from cnoeabs.peaks (4.67, 2.01, 27.58 ppm; 4.82 A): 2 out of 4 assignments used, quality = 1.00: HA PRO 56 + HG2 PRO 56 OK 100 100 - 100 - 3.8=100 * HA PRO 56 + HG3 PRO 56 OK 100 100 - 100 - 3.8=100 HA ASN 13 - HG2 PRO 56 lone 7 87 - 8 - 1768/2.3=3, 1760/2.3=3 HA ASN 13 - HG3 PRO 56 lone 7 87 - 8 - 1768/2.3=3, 1760/2.3=3 Peak 1785 from cnoeabs.peaks (2.13, 2.01, 27.58 ppm; 3.15 A): 2 out of 4 assignments used, quality = 1.00: * HB2 PRO 56 + HG3 PRO 56 OK 100 100 - 100 - 2.3=100 HB2 PRO 56 + HG2 PRO 56 OK 100 100 - 100 - 2.3=100 HB2 GLU 97 - HG3 PRO 56 OK 28 99 - 28 - 1769/2.3=7, 1745/2.3=5...(8) HB2 GLU 97 - HG2 PRO 56 OK 28 99 - 28 - 1769/2.3=7, 1745/2.3=5...(8) Peak 1786 from cnoeabs.peaks (2.00, 2.01, 27.58 ppm; diagonal): 2 out of 2 assignments used, quality = 0.96: HG3 PRO 56 + HG3 PRO 56 OK 81 81 - 100 HG2 PRO 56 + HG2 PRO 56 OK 81 81 - 100 Reference assignment not found: HB3 PRO 56 - HG3 PRO 56 Peak 1787 from cnoeabs.peaks (2.01, 2.01, 27.58 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG3 PRO 56 + HG3 PRO 56 OK 100 100 - 100 HG2 PRO 56 + HG2 PRO 56 OK 100 100 - 100 Reference assignment not found: HG2 PRO 56 - HG3 PRO 56 Peak 1788 from cnoeabs.peaks (2.01, 2.01, 27.58 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 PRO 56 + HG3 PRO 56 OK 100 100 - 100 HG2 PRO 56 + HG2 PRO 56 OK 100 100 - 100 Peak 1789 from cnoeabs.peaks (3.66, 2.01, 27.58 ppm; 3.30 A): 4 out of 4 assignments used, quality = 1.00: * HD2 PRO 56 + HG3 PRO 56 OK 100 100 - 100 - 2.3=100 HD2 PRO 56 + HG2 PRO 56 OK 100 100 - 100 - 2.3=100 HD3 PRO 56 + HG3 PRO 56 OK 73 73 - 100 - 2.3=100 HD3 PRO 56 + HG2 PRO 56 OK 73 73 - 100 - 2.3=100 Peak 1790 from cnoeabs.peaks (3.65, 2.01, 27.58 ppm; 3.30 A): 4 out of 4 assignments used, quality = 1.00: HD3 PRO 56 + HG2 PRO 56 OK 100 100 - 100 - 2.3=100 * HD3 PRO 56 + HG3 PRO 56 OK 100 100 - 100 - 2.3=100 HD2 PRO 56 + HG2 PRO 56 OK 73 73 - 100 - 2.3=100 HD2 PRO 56 + HG3 PRO 56 OK 73 73 - 100 - 2.3=100 Peak 1791 from cnoeabs.peaks (8.01, 2.01, 27.58 ppm; 5.17 A): 2 out of 4 assignments used, quality = 0.97: * H VAL 57 + HG3 PRO 56 OK 81 100 - 82 - 6697/3.8=40, 6703/2.3=23...(8) H VAL 57 + HG2 PRO 56 OK 81 100 - 82 - 6697/3.8=40, 6703/2.3=23...(8) H ILE 129 - HG3 PRO 56 OK 36 96 - 37 - 1775/2.3=11, 1767/2.3=8...(11) H ILE 129 - HG2 PRO 56 OK 36 96 - 37 - 1775/2.3=11, 1767/2.3=8...(11) Peak 1792 from cnoeabs.peaks (8.01, 4.59, 58.62 ppm; 4.94 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 57 + HA VAL 57 OK 100 100 - 100 - 3.0=100 H ILE 129 - HA VAL 57 OK 33 96 - 35 - 1807/3.2=8, 1797/3.0=8...(7) Peak 1793 from cnoeabs.peaks (4.59, 4.59, 58.62 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 57 + HA VAL 57 OK 100 100 - 100 Peak 1794 from cnoeabs.peaks (2.09, 4.59, 58.62 ppm; 3.79 A): 1 out of 6 assignments used, quality = 1.00: * HB VAL 57 + HA VAL 57 OK 100 100 - 100 - 3.0=100 HB3 GLN 82 - HA VAL 57 OK 40 99 - 40 - 1.8/11211=7, 11213=6...(13) HB2 GLN 61 - HA VAL 57 OK 31 73 - 42 - 1809/3.2=7, ~10987=7...(10) HB2 GLU 128 - HA VAL 57 OK 15 65 - 23 - ~4102=4, 6705/3.0=4...(8) HG3 GLN 134 - HA VAL 57 lone 1 73 - 2 - HB2 GLU 102 - HA VAL 57 lone 1 73 - 2 - Peak 1795 from cnoeabs.peaks (0.86, 4.59, 58.62 ppm; 4.23 A): 1 out of 5 assignments used, quality = 1.00: * QG2 VAL 57 + HA VAL 57 OK 100 100 - 100 - 3.2=100 QD1 LEU 98 - HA VAL 57 OK 22 100 - 22 - 1800/3.0=5, 1810/3.2=4...(9) QD2 LEU 69 - HA VAL 57 OK 11 81 - 14 - ~11069=3, 1800/3.0=2...(8) QD2 LEU 70 - HA VAL 57 lone 6 87 - 7 - 6706/3.0=3, 1800/3.0=1 QG2 ILE 32 - HA VAL 57 lone 3 73 - 4 - Peak 1796 from cnoeabs.peaks (0.95, 4.59, 58.62 ppm; 3.96 A): 1 out of 3 assignments used, quality = 1.00: * QG1 VAL 57 + HA VAL 57 OK 100 100 - 100 - 3.2=100 QD1 LEU 119 - HA VAL 57 OK 29 81 - 36 - ~10969=10, 6707/3.0=7...(10) QG1 VAL 126 - HA VAL 57 lone 5 73 - 6 - ~4006=2, 6707/3.0=2 Peak 1797 from cnoeabs.peaks (8.01, 2.09, 32.84 ppm; 4.22 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 57 + HB VAL 57 OK 100 100 - 100 - 4.0=100 H ILE 129 - HB VAL 57 OK 25 96 - 26 - 1807/2.1=8, 1802/2.1=8...(5) Peak 1798 from cnoeabs.peaks (4.59, 2.09, 32.84 ppm; 3.99 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 57 + HB VAL 57 OK 100 100 - 100 - 3.0=100 HA GLN 82 - HB VAL 57 OK 39 81 - 48 - 11245=10, 1808/2.1=9...(12) Peak 1799 from cnoeabs.peaks (2.09, 2.09, 32.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB VAL 57 + HB VAL 57 OK 100 100 - 100 Peak 1800 from cnoeabs.peaks (0.86, 2.09, 32.84 ppm; 3.42 A): 1 out of 5 assignments used, quality = 1.00: * QG2 VAL 57 + HB VAL 57 OK 100 100 - 100 - 2.1=100 QD1 LEU 98 - HB VAL 57 OK 18 100 - 18 - 1810/2.1=4, 1795/3.0=3...(9) QD2 LEU 69 - HB VAL 57 poor 9 81 - 11 - 2.1/11069=2, 1810/2.1=2...(5) QD2 LEU 70 - HB VAL 57 lone 4 87 - 5 - 6706/4.0=1, 1810/2.1=1 QG2 ILE 32 - HB VAL 57 lone 2 73 - 3 - Peak 1801 from cnoeabs.peaks (0.95, 2.09, 32.84 ppm; 3.08 A): 1 out of 3 assignments used, quality = 1.00: * QG1 VAL 57 + HB VAL 57 OK 100 100 - 100 - 2.1=100 QD1 LEU 119 - HB VAL 57 OK 16 81 - 20 - 1806/2.1=4, 1796/3.0=4...(9) QG1 VAL 126 - HB VAL 57 lone 2 73 - 3 - Peak 1802 from cnoeabs.peaks (8.01, 0.86, 19.35 ppm; 3.13 A): 2 out of 2 assignments used, quality = 0.71: * H VAL 57 + QG2 VAL 57 OK 66 100 - 66 - 4.1=44, 6707/2.1=19...(5) H ILE 129 + QG2 VAL 57 OK 13 96 - 14 - 1807/2.1=4, 1797/2.1=4...(4) Peak 1803 from cnoeabs.peaks (4.59, 0.86, 19.35 ppm; 3.75 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 57 + QG2 VAL 57 OK 100 100 - 100 - 3.2=100 HA GLN 82 - QG2 VAL 57 OK 32 81 - 40 - 1798/2.1=9, 1808/2.1=9...(11) Peak 1804 from cnoeabs.peaks (2.09, 0.86, 19.35 ppm; 2.86 A): 1 out of 6 assignments used, quality = 1.00: * HB VAL 57 + QG2 VAL 57 OK 100 100 - 100 - 2.1=100 HB2 GLN 61 - QG2 VAL 57 OK 27 73 - 37 - 3.0/10986=9, 3.0/10989=6...(10) HB3 GLN 82 - QG2 VAL 57 OK 22 99 - 22 - 1809/2.1=4, 3.0/1803=4...(9) HB2 GLU 128 - QG2 VAL 57 lone 5 65 - 7 - 4.5/1802=2, 6705/4.1=2...(4) HG3 GLN 134 - QG2 VAL 57 lone 1 73 - 2 - HB2 GLU 102 - QG2 VAL 57 lone 1 73 - 1 - Peak 1805 from cnoeabs.peaks (0.86, 0.86, 19.35 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 57 + QG2 VAL 57 OK 100 100 - 100 Peak 1806 from cnoeabs.peaks (0.95, 0.86, 19.35 ppm; 2.55 A): 1 out of 3 assignments used, quality = 1.00: * QG1 VAL 57 + QG2 VAL 57 OK 100 100 - 100 - 2.1=100 QD1 LEU 119 - QG2 VAL 57 OK 12 81 - 14 - 1801/2.1=3, 1796/3.2=2...(5) QG1 VAL 126 - QG2 VAL 57 lone 1 73 - 2 - Peak 1807 from cnoeabs.peaks (8.01, 0.95, 21.50 ppm; 3.98 A): 1 out of 2 assignments used, quality = 0.96: * H VAL 57 + QG1 VAL 57 OK 96 100 - 96 - 4.1=92, 1802/2.1=37...(4) H ILE 129 - QG1 VAL 57 OK 25 96 - 26 - 4.2/10440=8, 1802/2.1=7...(5) Peak 1808 from cnoeabs.peaks (4.59, 0.95, 21.50 ppm; 3.92 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 57 + QG1 VAL 57 OK 100 100 - 100 - 3.2=100 HA GLN 82 - QG1 VAL 57 OK 35 81 - 44 - 1798/2.1=10, 1803/2.1=9...(11) Peak 1809 from cnoeabs.peaks (2.09, 0.95, 21.50 ppm; 3.20 A): 1 out of 6 assignments used, quality = 1.00: * HB VAL 57 + QG1 VAL 57 OK 100 100 - 100 - 2.1=100 HB2 GLN 61 - QG1 VAL 57 OK 39 73 - 54 - 3.0/10987=12...(14) HB3 GLN 82 - QG1 VAL 57 OK 28 99 - 28 - 1804/2.1=5, 3.0/1808=5...(10) HB2 GLU 128 - QG1 VAL 57 poor 9 65 - 14 - 3.6/10440=5, 4.5/1807=3...(5) HG3 GLN 134 - QG1 VAL 57 lone 1 73 - 2 - HB2 GLU 102 - QG1 VAL 57 lone 1 73 - 1 - Peak 1810 from cnoeabs.peaks (0.86, 0.95, 21.50 ppm; 2.79 A): 1 out of 5 assignments used, quality = 1.00: * QG2 VAL 57 + QG1 VAL 57 OK 100 100 - 100 - 2.1=100 QD1 LEU 98 - QG1 VAL 57 OK 13 100 - 13 - 1800/2.1=3, 1795/3.2=2...(5) QD2 LEU 69 - QG1 VAL 57 lone 6 81 - 8 - 1800/2.1=1, ~11069=1 QD2 LEU 70 - QG1 VAL 57 lone 3 87 - 4 - QG2 ILE 32 - QG1 VAL 57 lone 2 73 - 2 - Peak 1811 from cnoeabs.peaks (0.95, 0.95, 21.50 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 57 + QG1 VAL 57 OK 100 100 - 100 Peak 1812 from cnoeabs.peaks (4.59, 3.62, 50.62 ppm; 3.88 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 57 + HD2 PRO 58 OK 100 100 - 100 - 3.8=100 HA GLN 82 - HD2 PRO 58 OK 32 81 - 39 - 1814/1.8=9, ~11259=8...(9) Peak 1813 from cnoeabs.peaks (3.62, 4.59, 58.62 ppm; 3.96 A): 1 out of 2 assignments used, quality = 1.00: * HD2 PRO 58 + HA VAL 57 OK 100 100 - 100 - 3.8=100 HA2 GLY 66 - HA VAL 57 OK 11 57 - 20 - 1829/3.8=4, 9306/3.2=4...(7) Peak 1814 from cnoeabs.peaks (4.59, 3.82, 50.62 ppm; 3.78 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 57 + HD3 PRO 58 OK 100 100 - 100 - 3.8=100 HA GLN 82 - HD3 PRO 58 OK 30 81 - 37 - 1812/1.8=9, ~11259=8...(9) Peak 1815 from cnoeabs.peaks (3.82, 4.59, 58.62 ppm; 3.88 A): 1 out of 3 assignments used, quality = 1.00: * HD3 PRO 58 + HA VAL 57 OK 100 100 - 100 - 3.8=100 HB2 SER 130 - HA VAL 57 OK 26 99 - 26 - 9303/3.0=7, 1822/3.8=6...(5) HA VAL 118 - HA VAL 57 OK 10 96 - 11 - 1822/3.8=5, 1838/4.9=2...(4) Peak 1816 from cnoeabs.peaks (4.45, 3.62, 50.62 ppm; 6.80 A): 1 out of 4 assignments used, quality = 1.00: * HA PRO 58 + HD2 PRO 58 OK 100 100 - 100 - 3.6=100 HA ASP 64 - HD2 PRO 58 OK 45 96 - 47 - 1856/2.3=11, 1840/3.0=11...(6) HA SER 106 - HD2 PRO 58 OK 28 96 - 29 - 1824/1.8=7, 1856/2.3=6...(5) HB THR 54 - HD2 PRO 58 poor 9 65 - 13 - ~9269=2, 1824/1.8=2...(6) Peak 1817 from cnoeabs.peaks (1.95, 3.62, 50.62 ppm; 4.62 A): 2 out of 6 assignments used, quality = 1.00: * HB2 PRO 58 + HD2 PRO 58 OK 100 100 - 100 - 3.0=100 HB3 ARG 90 + HD2 PRO 58 OK 69 99 - 70 - 1857/2.3=12, 1825/1.8=11...(17) HB2 GLU 30 - HD2 PRO 58 OK 39 81 - 48 - 1825/1.8=6, 1849/3.0=6...(17) HB3 PRO 81 - HD2 PRO 58 OK 30 96 - 31 - 5.0/1812=6, 1825/1.8=5...(9) HB3 LYS 86 - HD2 PRO 58 OK 16 87 - 18 - 1825/1.8=3, ~2628=2...(9) HB3 LYS 95 - HD2 PRO 58 lone 2 65 - 2 - Peak 1818 from cnoeabs.peaks (2.41, 3.62, 50.62 ppm; 5.27 A): 2 out of 3 assignments used, quality = 1.00: * HB3 PRO 58 + HD2 PRO 58 OK 100 100 - 100 - 3.0=100 HG3 GLN 61 + HD2 PRO 58 OK 83 99 - 84 - 10987/3.9=25...(13) HG3 GLU 97 - HD2 PRO 58 lone 6 65 - 8 - 1826/1.8=2, 1866/2.3=1...(5) Peak 1819 from cnoeabs.peaks (2.03, 3.62, 50.62 ppm; 3.68 A): 3 out of 10 assignments used, quality = 1.00: * HG2 PRO 58 + HD2 PRO 58 OK 100 100 - 100 - 2.3=100 HB2 GLU 44 + HD2 PRO 58 OK 59 98 - 60 - 1.8/1820=11, 1867/2.3=8...(17) HG2 ARG 90 + HD2 PRO 58 OK 50 96 - 53 - 2817/3.0=7, 1827/1.8=7...(19) HB3 GLU 30 - HD2 PRO 58 OK 28 81 - 35 - 1827/1.8=4, 1.8/1817=4...(17) HB2 GLN 134 - HD2 PRO 58 OK 18 87 - 20 - 1827/1.8=2, 1867/2.3=2...(11) HB VAL 63 - HD2 PRO 58 lone 7 92 - 7 - HB3 GLU 91 - HD2 PRO 58 lone 6 87 - 7 - ~2864=1 HB3 MET 11 - HD2 PRO 58 lone 5 96 - 5 - HG3 ARG 135 - HD2 PRO 58 lone 5 87 - 6 - HB3 GLU 40 - HD2 PRO 58 lone 1 65 - 1 - Peak 1820 from cnoeabs.peaks (2.07, 3.62, 50.62 ppm; 3.60 A): 2 out of 6 assignments used, quality = 1.00: * HG3 PRO 58 + HD2 PRO 58 OK 100 100 - 100 - 2.3=100 HB3 GLU 44 + HD2 PRO 58 OK 51 87 - 60 - 1828/1.8=11, 1860/2.3=11...(17) HG3 GLN 134 - HD2 PRO 58 poor 10 57 - 17 - 1828/1.8=2, 1860/2.3=2...(9) HB3 LYS 39 - HD2 PRO 58 lone 8 81 - 9 - 1828/1.8=2, 1852/3.0=1...(4) HB2 GLU 128 - HD2 PRO 58 lone 4 65 - 5 - 4094/4.8=2 HB2 GLU 102 - HD2 PRO 58 lone 1 57 - 2 - Peak 1821 from cnoeabs.peaks (3.62, 3.62, 50.62 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 58 + HD2 PRO 58 OK 100 100 - 100 Peak 1822 from cnoeabs.peaks (3.82, 3.62, 50.62 ppm; 3.55 A): 1 out of 3 assignments used, quality = 1.00: * HD3 PRO 58 + HD2 PRO 58 OK 100 100 - 100 - 1.8=100 HB2 SER 130 - HD2 PRO 58 OK 41 99 - 42 - 10503/2.3=10, 1870/2.3=7...(11) HA VAL 118 - HD2 PRO 58 OK 31 96 - 32 - 1870/2.3=6, 1862/2.3=5...(11) Peak 1824 from cnoeabs.peaks (4.45, 3.82, 50.62 ppm; 6.80 A): 1 out of 4 assignments used, quality = 1.00: * HA PRO 58 + HD3 PRO 58 OK 100 100 - 100 - 3.6=100 HA ASP 64 - HD3 PRO 58 OK 45 96 - 47 - 1856/2.3=11, 1840/3.0=11...(6) HA SER 106 - HD3 PRO 58 OK 29 96 - 30 - 1816/1.8=7, 1856/2.3=6...(6) HB THR 54 - HD3 PRO 58 poor 9 65 - 13 - ~9269=2, 1816/1.8=2...(6) Peak 1825 from cnoeabs.peaks (1.95, 3.82, 50.62 ppm; 4.24 A): 2 out of 6 assignments used, quality = 1.00: * HB2 PRO 58 + HD3 PRO 58 OK 100 100 - 100 - 3.0=100 HB3 ARG 90 + HD3 PRO 58 OK 64 99 - 64 - 1857/2.3=12, 1865/2.3=10...(17) HB2 GLU 30 - HD3 PRO 58 OK 35 81 - 44 - 1857/2.3=5, 1817/1.8=5...(17) HB3 PRO 81 - HD3 PRO 58 OK 26 96 - 27 - 5.0/1814=5, 1817/1.8=4...(9) HB3 LYS 86 - HD3 PRO 58 OK 15 87 - 16 - 1817/1.8=2, 1849/3.0=2...(9) HB3 LYS 95 - HD3 PRO 58 lone 1 65 - 2 - Peak 1826 from cnoeabs.peaks (2.41, 3.82, 50.62 ppm; 4.84 A): 2 out of 3 assignments used, quality = 1.00: * HB3 PRO 58 + HD3 PRO 58 OK 100 100 - 100 - 3.0=100 HG3 GLN 61 + HD3 PRO 58 OK 81 99 - 82 - 10987/3.9=22, ~10980=20...(13) HG3 GLU 97 - HD3 PRO 58 lone 6 65 - 9 - 10005/9326=2, 1818/1.8=1...(4) Peak 1827 from cnoeabs.peaks (2.03, 3.82, 50.62 ppm; 3.39 A): 2 out of 10 assignments used, quality = 1.00: * HG2 PRO 58 + HD3 PRO 58 OK 100 100 - 100 - 2.3=100 HB2 GLU 44 + HD3 PRO 58 OK 53 98 - 54 - 1.8/1828=10, 1867/2.3=8...(17) HG2 ARG 90 - HD3 PRO 58 OK 45 96 - 47 - 2817/3.0=6, 1867/2.3=6...(15) HB3 GLU 30 - HD3 PRO 58 OK 25 81 - 31 - 1.8/1825=3, 1819/1.8=3...(17) HB2 GLN 134 - HD3 PRO 58 OK 15 87 - 17 - 1819/1.8=2, 1867/2.3=2...(6) HB VAL 63 - HD3 PRO 58 lone 6 92 - 6 - HB3 GLU 91 - HD3 PRO 58 lone 5 87 - 6 - HB3 MET 11 - HD3 PRO 58 lone 5 96 - 5 - HG3 ARG 135 - HD3 PRO 58 lone 4 87 - 5 - HB3 GLU 40 - HD3 PRO 58 lone 1 65 - 1 - Peak 1828 from cnoeabs.peaks (2.07, 3.82, 50.62 ppm; 3.37 A): 2 out of 6 assignments used, quality = 1.00: * HG3 PRO 58 + HD3 PRO 58 OK 100 100 - 100 - 2.3=100 HB3 GLU 44 + HD3 PRO 58 OK 47 87 - 55 - 1860/2.3=10, 1820/1.8=9...(17) HG3 GLN 134 - HD3 PRO 58 poor 9 57 - 16 - 1820/1.8=2, 1860/2.3=2...(6) HB3 LYS 39 - HD3 PRO 58 lone 7 81 - 8 - 1820/1.8=2, 1852/3.0=1...(4) HB2 GLU 128 - HD3 PRO 58 lone 4 65 - 6 - 4094/4.8=1, 11623/9326=1 HB2 GLU 102 - HD3 PRO 58 lone 1 57 - 2 - Peak 1829 from cnoeabs.peaks (3.62, 3.82, 50.62 ppm; 3.60 A): 1 out of 2 assignments used, quality = 1.00: * HD2 PRO 58 + HD3 PRO 58 OK 100 100 - 100 - 1.8=100 HA2 GLY 66 - HD3 PRO 58 OK 18 57 - 31 - 1869/2.3=4, 1861/2.3=4...(13) Peak 1830 from cnoeabs.peaks (3.82, 3.82, 50.62 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 58 + HD3 PRO 58 OK 100 100 - 100 Peak 1832 from cnoeabs.peaks (4.45, 4.45, 62.57 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PRO 58 + HA PRO 58 OK 100 100 - 100 Peak 1833 from cnoeabs.peaks (1.95, 4.45, 62.57 ppm; 4.05 A): 2 out of 6 assignments used, quality = 1.00: * HB2 PRO 58 + HA PRO 58 OK 100 100 - 100 - 2.3=100 HB3 ARG 90 + HA PRO 58 OK 53 99 - 54 - 1849/2.3=10, 1857/3.8=8...(13) HB2 GLU 30 - HA PRO 58 OK 28 81 - 35 - 1849/2.3=5, 1.8/1835=4...(13) HB3 PRO 81 - HA PRO 58 OK 23 96 - 24 - ~11890=4, 1849/2.3=4...(9) HB3 LYS 86 - HA PRO 58 OK 14 87 - 15 - 1849/2.3=2, ~2628=2...(9) HB3 LYS 95 - HA PRO 58 lone 2 65 - 3 - 6710/3.6=2 Peak 1834 from cnoeabs.peaks (2.41, 4.45, 62.57 ppm; 3.79 A): 2 out of 3 assignments used, quality = 1.00: * HB3 PRO 58 + HA PRO 58 OK 100 100 - 100 - 2.3=100 HG3 GLN 61 + HA PRO 58 OK 46 99 - 47 - 1842/2.3=12, 1866/3.8=8...(10) HG3 GLU 97 - HA PRO 58 lone 3 65 - 5 - Peak 1835 from cnoeabs.peaks (2.03, 4.45, 62.57 ppm; 3.87 A): 2 out of 10 assignments used, quality = 1.00: * HG2 PRO 58 + HA PRO 58 OK 100 100 - 100 - 3.8=100 HB2 GLU 44 + HA PRO 58 OK 46 98 - 47 - 1.8/1836=9, 1851/2.3=8...(9) HG2 ARG 90 - HA PRO 58 OK 43 96 - 46 - 2817/2.3=9, 1851/2.3=7...(12) HB3 GLU 30 - HA PRO 58 OK 23 81 - 29 - 1.8/1833=5, 1843/2.3=4...(11) HB2 GLN 134 - HA PRO 58 OK 12 87 - 14 - 1851/2.3=2, 1843/2.3=2...(6) HB VAL 63 - HA PRO 58 lone 8 92 - 9 - 4.5/6827=3, 6712/3.6=2 HB3 GLU 91 - HA PRO 58 lone 5 87 - 5 - 1843/2.3=1 HB3 MET 11 - HA PRO 58 lone 5 96 - 5 - HG3 ARG 135 - HA PRO 58 lone 4 87 - 5 - HB3 GLU 40 - HA PRO 58 lone 1 65 - 1 - Peak 1836 from cnoeabs.peaks (2.07, 4.45, 62.57 ppm; 4.29 A): 2 out of 6 assignments used, quality = 1.00: * HG3 PRO 58 + HA PRO 58 OK 100 100 - 100 - 3.8=100 HB3 GLU 44 + HA PRO 58 OK 49 87 - 57 - 1852/2.3=13, 1844/2.3=12...(9) HG3 GLN 134 - HA PRO 58 poor 9 57 - 16 - 1852/2.3=3, 1844/2.3=2...(9) HB3 LYS 39 - HA PRO 58 poor 9 81 - 10 - 1852/2.3=2, 1844/2.3=2...(6) HB2 GLU 128 - HA PRO 58 lone 3 65 - 4 - HB2 GLU 102 - HA PRO 58 lone 2 57 - 3 - Peak 1837 from cnoeabs.peaks (3.62, 4.45, 62.57 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: * HD2 PRO 58 + HA PRO 58 OK 100 100 - 100 - 3.6=100 HA2 GLY 66 - HA PRO 58 OK 43 57 - 75 - 3.6/9334=35, 1845/2.3=14...(11) Peak 1838 from cnoeabs.peaks (3.82, 4.45, 62.57 ppm; 5.69 A): 2 out of 3 assignments used, quality = 1.00: * HD3 PRO 58 + HA PRO 58 OK 100 100 - 100 - 3.6=100 HB2 SER 130 + HA PRO 58 OK 56 99 - 57 - 10503/3.8=23...(6) HA VAL 118 - HA PRO 58 OK 38 96 - 40 - 1854/2.3=10, 1846/2.3=10...(6) Peak 1839 from cnoeabs.peaks (8.89, 4.45, 62.57 ppm; 3.42 A): 1 out of 2 assignments used, quality = 0.94: * H ASN 59 + HA PRO 58 OK 94 100 - 94 - 3.6=88, 6711/2.3=19...(6) H GLY 66 - HA PRO 58 OK 22 73 - 30 - 4.1/9334=8, 1847/2.3=6...(8) Peak 1840 from cnoeabs.peaks (4.45, 1.95, 32.16 ppm; 4.14 A): 1 out of 4 assignments used, quality = 1.00: * HA PRO 58 + HB2 PRO 58 OK 100 100 - 100 - 2.3=100 HA ASP 64 - HB2 PRO 58 OK 33 96 - 35 - 1848/1.8=8, 1864/2.3=6...(11) HA SER 106 - HB2 PRO 58 OK 18 96 - 18 - 1848/1.8=4, 1864/2.3=4...(6) HB THR 54 - HB2 PRO 58 lone 5 65 - 7 - 1848/1.8=1 Peak 1841 from cnoeabs.peaks (1.95, 1.95, 32.16 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 58 + HB2 PRO 58 OK 100 100 - 100 Peak 1842 from cnoeabs.peaks (2.41, 1.95, 32.16 ppm; 3.19 A): 1 out of 3 assignments used, quality = 1.00: * HB3 PRO 58 + HB2 PRO 58 OK 100 100 - 100 - 1.8=100 HG3 GLN 61 - HB2 PRO 58 OK 44 99 - 45 - 1858/2.3=8, 1866/2.3=8...(11) HG3 GLU 97 - HB2 PRO 58 lone 3 65 - 4 - Peak 1843 from cnoeabs.peaks (2.03, 1.95, 32.16 ppm; 2.95 A): 3 out of 10 assignments used, quality = 1.00: * HG2 PRO 58 + HB2 PRO 58 OK 100 100 - 100 - 2.3=100 HG2 ARG 90 + HB2 PRO 58 OK 50 96 - 53 - 2817=9, 1.8/2826=6...(23) HB2 GLU 44 + HB2 PRO 58 OK 46 98 - 48 - 1.8/1844=9, 1867/2.3=6...(19) HB3 GLU 30 - HB2 PRO 58 OK 24 81 - 30 - 1851/1.8=3, 1867/2.3=3...(16) HB2 GLN 134 - HB2 PRO 58 OK 13 87 - 15 - 1851/1.8=2, 1867/2.3=1...(5) HB3 GLU 91 - HB2 PRO 58 lone 6 87 - 7 - 4.0/7233=2 HB VAL 63 - HB2 PRO 58 lone 5 92 - 6 - HB3 MET 11 - HB2 PRO 58 lone 4 96 - 4 - HG3 ARG 135 - HB2 PRO 58 lone 4 87 - 4 - HB3 GLU 40 - HB2 PRO 58 lone 1 65 - 1 - Peak 1844 from cnoeabs.peaks (2.07, 1.95, 32.16 ppm; 3.02 A): 1 out of 6 assignments used, quality = 1.00: * HG3 PRO 58 + HB2 PRO 58 OK 100 100 - 100 - 2.3=100 HB3 GLU 44 - HB2 PRO 58 OK 43 87 - 50 - 1860/2.3=8, 1852/1.8=8...(19) HG3 GLN 134 - HB2 PRO 58 poor 8 57 - 13 - 1852/1.8=2, 1860/2.3=1...(5) HB3 LYS 39 - HB2 PRO 58 lone 6 81 - 7 - 1852/1.8=1, 1860/2.3=1 HB2 GLU 128 - HB2 PRO 58 lone 2 65 - 3 - HB2 GLU 102 - HB2 PRO 58 lone 1 57 - 2 - Peak 1845 from cnoeabs.peaks (3.62, 1.95, 32.16 ppm; 5.62 A): 1 out of 2 assignments used, quality = 1.00: * HD2 PRO 58 + HB2 PRO 58 OK 100 100 - 100 - 3.0=100 HA2 GLY 66 - HB2 PRO 58 OK 42 57 - 73 - 3.6/9332=35, 2.9/1847=13...(12) Peak 1846 from cnoeabs.peaks (3.82, 1.95, 32.16 ppm; 4.55 A): 2 out of 3 assignments used, quality = 1.00: * HD3 PRO 58 + HB2 PRO 58 OK 100 100 - 100 - 3.0=100 HB2 SER 130 + HB2 PRO 58 OK 50 99 - 51 - 10503/2.3=19...(7) HA VAL 118 - HB2 PRO 58 OK 39 96 - 41 - 1870/2.3=8, 1862/2.3=7...(9) Peak 1847 from cnoeabs.peaks (8.89, 1.95, 32.16 ppm; 4.65 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 59 + HB2 PRO 58 OK 100 100 - 100 - 4.3=100 H GLY 66 - HB2 PRO 58 OK 43 73 - 59 - 4.1/9332=23, 1855/1.8=11...(12) Peak 1848 from cnoeabs.peaks (4.45, 2.41, 32.16 ppm; 3.74 A): 1 out of 4 assignments used, quality = 1.00: * HA PRO 58 + HB3 PRO 58 OK 100 100 - 100 - 2.3=100 HA ASP 64 - HB3 PRO 58 OK 27 96 - 29 - 1840/1.8=7, 1864/2.3=5...(10) HA SER 106 - HB3 PRO 58 OK 14 96 - 15 - 1840/1.8=4, 1864/2.3=3...(6) HB THR 54 - HB3 PRO 58 lone 4 65 - 5 - Peak 1849 from cnoeabs.peaks (1.95, 2.41, 32.16 ppm; 3.10 A): 2 out of 6 assignments used, quality = 1.00: * HB2 PRO 58 + HB3 PRO 58 OK 100 100 - 100 - 1.8=100 HB3 ARG 90 + HB3 PRO 58 OK 46 99 - 47 - 1857/2.3=8, 1865/2.3=7...(19) HB2 GLU 30 - HB3 PRO 58 OK 25 81 - 30 - 1857/2.3=4, 1865/2.3=4...(15) HB3 PRO 81 - HB3 PRO 58 OK 16 96 - 17 - ~11890=3, 1865/2.3=2...(9) HB3 LYS 86 - HB3 PRO 58 poor 9 87 - 11 - ~2628=1, 1857/2.3=1...(6) HB3 LYS 95 - HB3 PRO 58 lone 1 65 - 2 - Peak 1850 from cnoeabs.peaks (2.41, 2.41, 32.16 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 PRO 58 + HB3 PRO 58 OK 100 100 - 100 Peak 1851 from cnoeabs.peaks (2.03, 2.41, 32.16 ppm; 3.22 A): 3 out of 10 assignments used, quality = 1.00: * HG2 PRO 58 + HB3 PRO 58 OK 100 100 - 100 - 2.3=100 HB2 GLU 44 + HB3 PRO 58 OK 53 98 - 54 - 1.8/1852=9, 1867/2.3=7...(19) HG2 ARG 90 + HB3 PRO 58 OK 47 96 - 49 - 2817/1.8=8, 2.9/1849=6...(19) HB3 GLU 30 - HB3 PRO 58 OK 26 81 - 33 - 1.8/1849=5, 1843/1.8=4...(16) HB2 GLN 134 - HB3 PRO 58 OK 15 87 - 17 - 1843/1.8=2, 1867/2.3=2...(7) HB VAL 63 - HB3 PRO 58 lone 6 92 - 7 - HB3 GLU 91 - HB3 PRO 58 lone 5 87 - 6 - HB3 MET 11 - HB3 PRO 58 lone 5 96 - 5 - HG3 ARG 135 - HB3 PRO 58 lone 5 87 - 5 - HB3 GLU 40 - HB3 PRO 58 lone 1 65 - 1 - Peak 1852 from cnoeabs.peaks (2.07, 2.41, 32.16 ppm; 3.44 A): 2 out of 6 assignments used, quality = 1.00: * HG3 PRO 58 + HB3 PRO 58 OK 100 100 - 100 - 2.3=100 HB3 GLU 44 + HB3 PRO 58 OK 52 87 - 60 - 1844/1.8=11, 1860/2.3=10...(19) HG3 GLN 134 - HB3 PRO 58 OK 10 57 - 17 - 1844/1.8=2, 1860/2.3=2...(7) HB3 LYS 39 - HB3 PRO 58 lone 8 81 - 9 - 1844/1.8=2, 1860/2.3=1...(5) HB2 GLU 128 - HB3 PRO 58 lone 3 65 - 4 - HB2 GLU 102 - HB3 PRO 58 lone 1 57 - 2 - Peak 1853 from cnoeabs.peaks (3.62, 2.41, 32.16 ppm; 5.40 A): 1 out of 2 assignments used, quality = 1.00: * HD2 PRO 58 + HB3 PRO 58 OK 100 100 - 100 - 3.0=100 HA2 GLY 66 - HB3 PRO 58 OK 35 57 - 61 - 1845/1.8=11, 2.9/1855=11...(12) Peak 1854 from cnoeabs.peaks (3.82, 2.41, 32.16 ppm; 5.01 A): 2 out of 3 assignments used, quality = 1.00: * HD3 PRO 58 + HB3 PRO 58 OK 100 100 - 100 - 3.0=100 HB2 SER 130 + HB3 PRO 58 OK 58 99 - 58 - 10503/2.3=23...(8) HA VAL 118 - HB3 PRO 58 OK 45 96 - 47 - 1846/1.8=9, 1870/2.3=9...(9) Peak 1855 from cnoeabs.peaks (8.89, 2.41, 32.16 ppm; 4.40 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 59 + HB3 PRO 58 OK 100 100 - 100 - 4.3=100 H GLY 66 - HB3 PRO 58 OK 35 73 - 48 - 1847/1.8=11, 1839/2.3=9...(12) Peak 1856 from cnoeabs.peaks (4.45, 2.03, 27.78 ppm; 4.76 A): 1 out of 4 assignments used, quality = 1.00: * HA PRO 58 + HG2 PRO 58 OK 100 100 - 100 - 3.8=100 HA ASP 64 - HG2 PRO 58 OK 35 96 - 37 - 1840/2.3=9, 1848/2.3=8...(9) HA SER 106 - HG2 PRO 58 OK 19 96 - 20 - 1840/2.3=5, 1864/1.8=5...(5) HB THR 54 - HG2 PRO 58 lone 5 65 - 8 - ~9269=1, 1864/1.8=1...(4) Peak 1857 from cnoeabs.peaks (1.95, 2.03, 27.78 ppm; 2.68 A): 1 out of 6 assignments used, quality = 1.00: * HB2 PRO 58 + HG2 PRO 58 OK 100 100 - 100 - 2.3=100 HB3 ARG 90 - HG2 PRO 58 OK 44 99 - 45 - 2809=10, 1865/1.8=6...(20) HB2 GLU 30 - HG2 PRO 58 OK 19 81 - 24 - 1865/1.8=3, 1849/2.3=3...(15) HB3 PRO 81 - HG2 PRO 58 OK 11 96 - 11 - 1865/1.8=2, 1849/2.3=2...(8) HB3 LYS 86 - HG2 PRO 58 lone 7 87 - 8 - 1865/1.8=1, 1849/2.3=1 HB3 LYS 95 - HG2 PRO 58 lone 1 65 - 1 - Peak 1858 from cnoeabs.peaks (2.41, 2.03, 27.78 ppm; 3.35 A): 1 out of 3 assignments used, quality = 1.00: * HB3 PRO 58 + HG2 PRO 58 OK 100 100 - 100 - 2.3=100 HG3 GLN 61 - HG2 PRO 58 OK 44 99 - 44 - 1866/1.8=10, 1842/2.3=10...(9) HG3 GLU 97 - HG2 PRO 58 lone 3 65 - 4 - Peak 1859 from cnoeabs.peaks (2.03, 2.03, 27.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 PRO 58 + HG2 PRO 58 OK 100 100 - 100 Peak 1860 from cnoeabs.peaks (2.07, 2.03, 27.78 ppm; 2.50 A): 1 out of 6 assignments used, quality = 1.00: * HG3 PRO 58 + HG2 PRO 58 OK 100 100 - 100 - 1.8=100 HB3 GLU 44 - HG2 PRO 58 OK 36 87 - 42 - 1412=6, 1844/2.3=5...(19) HG3 GLN 134 - HG2 PRO 58 poor 6 57 - 11 - HB3 LYS 39 - HG2 PRO 58 lone 4 81 - 5 - HB2 GLU 128 - HG2 PRO 58 lone 1 65 - 2 - HB2 GLU 102 - HG2 PRO 58 lone 1 57 - 1 - Peak 1861 from cnoeabs.peaks (3.62, 2.03, 27.78 ppm; 3.41 A): 1 out of 2 assignments used, quality = 1.00: * HD2 PRO 58 + HG2 PRO 58 OK 100 100 - 100 - 2.3=100 HA2 GLY 66 - HG2 PRO 58 OK 14 57 - 25 - 1829/2.3=4, 1869/1.8=4...(8) Peak 1862 from cnoeabs.peaks (3.82, 2.03, 27.78 ppm; 3.40 A): 1 out of 3 assignments used, quality = 1.00: * HD3 PRO 58 + HG2 PRO 58 OK 100 100 - 100 - 2.3=100 HB2 SER 130 - HG2 PRO 58 OK 35 99 - 35 - 10503=9, 1822/2.3=7...(8) HA VAL 118 - HG2 PRO 58 OK 26 96 - 27 - 1870/1.8=6, 1822/2.3=5...(9) Peak 1863 from cnoeabs.peaks (8.89, 2.03, 27.78 ppm; 5.18 A): 2 out of 2 assignments used, quality = 0.93: * H ASN 59 + HG2 PRO 58 OK 89 100 - 89 - 6709/3.8=36, 6711/2.3=35...(8) H GLY 66 + HG2 PRO 58 OK 37 73 - 50 - 1847/2.3=13, 1855/2.3=12...(10) Peak 1864 from cnoeabs.peaks (4.45, 2.07, 27.78 ppm; 4.47 A): 1 out of 4 assignments used, quality = 1.00: * HA PRO 58 + HG3 PRO 58 OK 100 100 - 100 - 3.8=100 HA ASP 64 - HG3 PRO 58 OK 30 96 - 32 - 1840/2.3=8, 1848/2.3=8...(7) HA SER 106 - HG3 PRO 58 OK 17 96 - 18 - 1840/2.3=5, 1856/1.8=4...(5) HB THR 54 - HG3 PRO 58 lone 5 65 - 7 - 1856/1.8=1, 1840/2.3=1...(4) Peak 1865 from cnoeabs.peaks (1.95, 2.07, 27.78 ppm; 2.71 A): 1 out of 6 assignments used, quality = 1.00: * HB2 PRO 58 + HG3 PRO 58 OK 100 100 - 100 - 2.3=100 HB3 ARG 90 - HG3 PRO 58 OK 35 99 - 36 - 1857/1.8=8, 1849/2.3=5...(17) HB2 GLU 30 - HG3 PRO 58 OK 18 81 - 23 - 1857/1.8=3, 1849/2.3=3...(11) HB3 PRO 81 - HG3 PRO 58 OK 13 96 - 13 - 4.1/11259=2, 1857/1.8=2...(9) HB3 LYS 86 - HG3 PRO 58 lone 7 87 - 7 - 1857/1.8=1, 1849/2.3=1 HB3 LYS 95 - HG3 PRO 58 lone 1 65 - 1 - Peak 1866 from cnoeabs.peaks (2.41, 2.07, 27.78 ppm; 3.74 A): 2 out of 3 assignments used, quality = 1.00: * HB3 PRO 58 + HG3 PRO 58 OK 100 100 - 100 - 2.3=100 HG3 GLN 61 + HG3 PRO 58 OK 52 99 - 53 - 1858/1.8=12, 1842/2.3=12...(10) HG3 GLU 97 - HG3 PRO 58 lone 3 65 - 5 - Peak 1867 from cnoeabs.peaks (2.03, 2.07, 27.78 ppm; 2.50 A): 1 out of 10 assignments used, quality = 1.00: * HG2 PRO 58 + HG3 PRO 58 OK 100 100 - 100 - 1.8=100 HB2 GLU 44 - HG3 PRO 58 OK 38 98 - 39 - 1405=6, 1843/2.3=4...(18) HG2 ARG 90 - HG3 PRO 58 OK 28 96 - 30 - 2817/2.3=4, 2.9/1865=4...(15) HB3 GLU 30 - HG3 PRO 58 OK 16 81 - 19 - 1.8/1865=3, 1843/2.3=2...(9) HB2 GLN 134 - HG3 PRO 58 lone 9 87 - 10 - 1843/2.3=1, 1851/2.3=1 HB VAL 63 - HG3 PRO 58 lone 3 92 - 4 - HB3 GLU 91 - HG3 PRO 58 lone 3 87 - 3 - HB3 MET 11 - HG3 PRO 58 lone 3 96 - 3 - HG3 ARG 135 - HG3 PRO 58 lone 3 87 - 3 - HB3 GLU 40 - HG3 PRO 58 lone 1 65 - 1 - Peak 1868 from cnoeabs.peaks (2.07, 2.07, 27.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 PRO 58 + HG3 PRO 58 OK 100 100 - 100 Peak 1869 from cnoeabs.peaks (3.62, 2.07, 27.78 ppm; 4.29 A): 1 out of 2 assignments used, quality = 1.00: * HD2 PRO 58 + HG3 PRO 58 OK 100 100 - 100 - 2.3=100 HA2 GLY 66 - HG3 PRO 58 OK 22 57 - 38 - 1829/2.3=6, 1845/2.3=6...(9) Peak 1870 from cnoeabs.peaks (3.82, 2.07, 27.78 ppm; 3.77 A): 1 out of 3 assignments used, quality = 1.00: * HD3 PRO 58 + HG3 PRO 58 OK 100 100 - 100 - 2.3=100 HB2 SER 130 - HG3 PRO 58 OK 38 99 - 38 - 10503/1.8=12, 1822/2.3=9...(7) HA VAL 118 - HG3 PRO 58 OK 32 96 - 33 - 1862/1.8=7, 1822/2.3=6...(10) Peak 1872 from cnoeabs.peaks (8.89, 4.33, 56.25 ppm; 4.13 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 59 + HA ASN 59 OK 100 100 - 100 - 2.9=100 H GLY 66 - HA ASN 59 OK 10 73 - 14 - 6736/3.6=3, 1882/3.0=2...(7) Peak 1873 from cnoeabs.peaks (4.33, 4.33, 56.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASN 59 + HA ASN 59 OK 100 100 - 100 Peak 1874 from cnoeabs.peaks (2.62, 4.33, 56.25 ppm; 3.94 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ASN 59 + HA ASN 59 OK 100 100 - 100 - 3.0=100 HB2 ASP 71 - HA ASN 59 poor 7 65 - 11 - 4.6/6973=3, 4.0/6958=2...(4) HB3 CYS 79 - HA ASN 59 lone 5 73 - 6 - 1891/3.0=1, 6717/2.9=1 Peak 1875 from cnoeabs.peaks (2.87, 4.33, 56.25 ppm; 4.11 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ASN 59 + HA ASN 59 OK 100 100 - 100 - 3.0=100 HE3 LYS 95 - HA ASN 59 OK 27 92 - 29 - 11351/4.4=8, 6718/2.9=6...(7) HE2 LYS 95 - HA ASN 59 OK 27 92 - 29 - 11351/4.4=8, 6718/2.9=6...(7) HB3 ASP 131 - HA ASN 59 lone 2 65 - 3 - Peak 1878 from cnoeabs.peaks (8.66, 4.33, 56.25 ppm; 4.73 A): 1 out of 4 assignments used, quality = 1.00: * H SER 60 + HA ASN 59 OK 100 100 - 100 - 3.6=100 H SER 50 - HA ASN 59 OK 13 81 - 15 - 6721/2.9=3, 1895/3.0=3...(5) H HIS 67 - HA ASN 59 poor 7 57 - 12 - 6721/2.9=4, 4.1/1872=3...(4) H HIS 8 - HA ASN 59 lone 2 65 - 3 - Peak 1879 from cnoeabs.peaks (7.43, 4.33, 56.25 ppm; 4.59 A): 2 out of 2 assignments used, quality = 0.88: * H LEU 62 + HA ASN 59 OK 83 100 - 83 - 6746/3.6=28, 6780=27...(8) HE22 GLN 104 + HA ASN 59 OK 29 87 - 33 - 3.5/11629=13, 6746/3.6=8...(8) Peak 1880 from cnoeabs.peaks (2.06, 4.33, 56.25 ppm; 3.95 A): 3 out of 8 assignments used, quality = 0.76: * HB2 LEU 62 + HA ASN 59 OK 69 100 - 69 - 1.8/9360=31, 3.2/9361=19...(9) HG3 PRO 81 + HA ASN 59 OK 12 92 - 13 - 2.3/11902=4, 2.3/11901=4...(5) HB2 GLN 127 + HA ASN 59 OK 10 100 - 10 - 10436/9361=3...(4) HB VAL 118 - HA ASN 59 lone 5 100 - 5 - ~9350=2 HG2 PRO 117 - HA ASN 59 lone 3 98 - 3 - HG3 PRO 113 - HA ASN 59 lone 2 96 - 2 - HG3 PRO 117 - HA ASN 59 lone 2 87 - 2 - HB3 GLN 27 - HA ASN 59 lone 2 96 - 2 - Peak 1881 from cnoeabs.peaks (1.14, 4.33, 56.25 ppm; 5.15 A): 2 out of 2 assignments used, quality = 0.87: * HB3 LEU 62 + HA ASN 59 OK 86 100 - 86 - 1.8/1880=32, 3.2/9361=28...(12) QG2 VAL 132 + HA ASN 59 OK 12 87 - 13 - 6793/1879=3, 1975/1880=3...(5) Peak 1882 from cnoeabs.peaks (8.89, 2.62, 38.37 ppm; 4.30 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 59 + HB2 ASN 59 OK 100 100 - 100 - 4.0=100 H GLY 66 - HB2 ASN 59 poor 9 73 - 11 - 1889/1.8=3, 1872/3.0=3...(5) Peak 1883 from cnoeabs.peaks (4.33, 2.62, 38.37 ppm; 4.17 A): 1 out of 5 assignments used, quality = 1.00: * HA ASN 59 + HB2 ASN 59 OK 100 100 - 100 - 3.0=100 HA LEU 69 - HB2 ASN 59 OK 19 98 - 20 - 1890/1.8=5, 6725/3.5=3...(8) HA PRO 81 - HB2 ASN 59 OK 17 98 - 17 - 1890/1.8=4, 6716/4.0=3...(7) HA LYS 24 - HB2 ASN 59 OK 12 100 - 12 - 1890/1.8=3, 6731/3.5=2...(5) HA ASP 47 - HB2 ASN 59 lone 3 65 - 4 - Peak 1884 from cnoeabs.peaks (2.62, 2.62, 38.37 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 59 + HB2 ASN 59 OK 100 100 - 100 Peak 1885 from cnoeabs.peaks (2.87, 2.62, 38.37 ppm; 3.24 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ASN 59 + HB2 ASN 59 OK 100 100 - 100 - 1.8=100 HE3 LYS 95 - HB2 ASN 59 OK 16 92 - 18 - 11351/3.5=6, 6727/3.5=3...(6) HE2 LYS 95 - HB2 ASN 59 OK 16 92 - 18 - 11351/3.5=6, 6727/3.5=3...(6) HB3 ASP 131 - HB2 ASN 59 lone 1 65 - 2 - Peak 1886 from cnoeabs.peaks (6.60, 2.62, 38.37 ppm; 5.15 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 59 + HB2 ASN 59 OK 100 100 - 100 - 3.5=100 Peak 1887 from cnoeabs.peaks (7.79, 2.62, 38.37 ppm; 4.92 A): 1 out of 2 assignments used, quality = 1.00: * HD22 ASN 59 + HB2 ASN 59 OK 100 100 - 100 - 3.5=100 H GLY 75 - HB2 ASN 59 OK 13 92 - 14 - 1894/1.8=4, 9595/9355=3...(5) Peak 1888 from cnoeabs.peaks (8.66, 2.62, 38.37 ppm; 5.07 A): 1 out of 4 assignments used, quality = 1.00: * H SER 60 + HB2 ASN 59 OK 100 100 - 100 - 4.5=100 H SER 50 - HB2 ASN 59 OK 12 81 - 15 - 1895/1.8=4, 1878/3.0=4...(4) H HIS 67 - HB2 ASN 59 poor 7 57 - 12 - 6721/4.0=4, 4.1/1882=3...(4) H HIS 8 - HB2 ASN 59 lone 2 65 - 3 - Peak 1889 from cnoeabs.peaks (8.89, 2.87, 38.37 ppm; 4.29 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 59 + HB3 ASN 59 OK 100 100 - 100 - 4.0=100 H GLY 66 - HB3 ASN 59 poor 9 73 - 11 - 1882/1.8=3, 1872/3.0=3...(5) Peak 1890 from cnoeabs.peaks (4.33, 2.87, 38.37 ppm; 4.25 A): 1 out of 5 assignments used, quality = 1.00: * HA ASN 59 + HB3 ASN 59 OK 100 100 - 100 - 3.0=100 HA LEU 69 - HB3 ASN 59 OK 19 98 - 20 - 1883/1.8=5, 6725/3.5=3...(8) HA PRO 81 - HB3 ASN 59 OK 17 98 - 18 - 1883/1.8=4, 6716/4.0=3...(7) HA LYS 24 - HB3 ASN 59 OK 13 100 - 12 - 1883/1.8=3, 6731/3.5=2...(5) HA ASP 47 - HB3 ASN 59 lone 3 65 - 4 - Peak 1891 from cnoeabs.peaks (2.62, 2.87, 38.37 ppm; 3.34 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ASN 59 + HB3 ASN 59 OK 100 100 - 100 - 1.8=100 HB3 CYS 79 - HB3 ASN 59 lone 4 73 - 5 - 1874/3.0=1 HB2 ASP 71 - HB3 ASN 59 lone 4 65 - 5 - 1874/3.0=1 Peak 1892 from cnoeabs.peaks (2.87, 2.87, 38.37 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 59 + HB3 ASN 59 OK 100 100 - 100 Peak 1893 from cnoeabs.peaks (6.60, 2.87, 38.37 ppm; 5.18 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 59 + HB3 ASN 59 OK 100 100 - 100 - 3.5=100 Peak 1894 from cnoeabs.peaks (7.79, 2.87, 38.37 ppm; 4.73 A): 1 out of 2 assignments used, quality = 1.00: * HD22 ASN 59 + HB3 ASN 59 OK 100 100 - 100 - 3.5=100 H GLY 75 - HB3 ASN 59 OK 11 92 - 12 - 1887/1.8=5, 6720/4.0=2...(4) Peak 1895 from cnoeabs.peaks (8.66, 2.87, 38.37 ppm; 4.78 A): 1 out of 4 assignments used, quality = 1.00: * H SER 60 + HB3 ASN 59 OK 100 100 - 100 - 4.5=100 H SER 50 - HB3 ASN 59 OK 11 81 - 13 - 1888/1.8=4, 1878/3.0=3...(4) H HIS 67 - HB3 ASN 59 poor 6 57 - 11 - 6721/4.0=3, 4.1/1889=2...(4) H HIS 8 - HB3 ASN 59 lone 2 65 - 3 - Peak 1896 from cnoeabs.peaks (8.66, 4.01, 60.84 ppm; 4.21 A): 1 out of 4 assignments used, quality = 1.00: * H SER 60 + HA SER 60 OK 100 100 - 100 - 2.8=100 H SER 50 - HA SER 60 lone 4 81 - 5 - 6750/3.6=1 H HIS 67 - HA SER 60 lone 2 57 - 3 - H HIS 8 - HA SER 60 lone 1 65 - 1 - Peak 1897 from cnoeabs.peaks (4.01, 4.01, 60.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 60 + HA SER 60 OK 100 100 - 100 Peak 1898 from cnoeabs.peaks (3.91, 4.01, 60.84 ppm; 3.40 A): 2 out of 6 assignments used, quality = 1.00: * HB2 SER 60 + HA SER 60 OK 100 100 - 100 - 3.0=100 HB3 SER 60 + HA SER 60 OK 100 100 - 100 - 3.0=100 HA ALA 41 - HA SER 60 OK 26 100 - 26 - 2.1/10933=18, 6744/2.8=3...(5) HB2 SER 94 - HA SER 60 lone 1 87 - 1 - HA3 GLY 75 - HA SER 60 lone 1 92 - 1 - HB2 SER 33 - HA SER 60 lone 1 98 - 1 - Peak 1899 from cnoeabs.peaks (3.91, 4.01, 60.84 ppm; 3.40 A): 2 out of 6 assignments used, quality = 1.00: HB2 SER 60 + HA SER 60 OK 100 100 - 100 - 3.0=100 * HB3 SER 60 + HA SER 60 OK 100 100 - 100 - 3.0=100 HA ALA 41 - HA SER 60 OK 26 100 - 26 - 2.1/10933=18, 6744/2.8=3...(5) HB2 SER 94 - HA SER 60 lone 1 87 - 1 - HA3 GLY 75 - HA SER 60 lone 1 92 - 1 - HB2 SER 33 - HA SER 60 lone 1 98 - 1 - Peak 1900 from cnoeabs.peaks (7.42, 4.01, 60.84 ppm; 4.61 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 61 + HA SER 60 OK 100 100 - 100 - 3.6=100 HE22 GLN 104 - HA SER 60 OK 15 81 - 19 - 6745/2.8=5, 1913/4.9=4...(6) Peak 1901 from cnoeabs.peaks (8.20, 4.01, 60.84 ppm; 4.91 A): 2 out of 2 assignments used, quality = 0.73: * H VAL 63 + HA SER 60 OK 68 100 - 68 - 6801=27, 6802/3.6=26...(6) H GLN 127 + HA SER 60 OK 16 96 - 17 - 6762/3.6=6, 4.4/10397=4...(5) Peak 1902 from cnoeabs.peaks (2.02, 4.01, 60.84 ppm; 3.91 A): 3 out of 7 assignments used, quality = 0.65: * HB VAL 63 + HA SER 60 OK 42 100 - 43 - 2020=21, 4.0/1901=14...(6) HG2 PRO 58 + HA SER 60 OK 28 92 - 30 - 10974/2.8=15, ~10975=9, ~9330=8 HB2 GLU 44 + HA SER 60 OK 16 99 - 16 - 1401/3.0=5, 1401/3.0=5...(5) HG2 ARG 90 - HA SER 60 lone 5 100 - 5 - 11845/10933=3 HB3 MET 11 - HA SER 60 lone 4 100 - 4 - 6812/1901=2, 6824/6818=1 HB2 GLN 134 - HA SER 60 lone 4 100 - 4 - 10932/10933=2 HB3 GLU 30 - HA SER 60 lone 3 99 - 3 - ~10979=2 Peak 1903 from cnoeabs.peaks (8.66, 3.91, 61.50 ppm; 4.26 A): 2 out of 8 assignments used, quality = 1.00: * H SER 60 + HB2 SER 60 OK 100 100 - 100 - 4.0=100 H SER 60 + HB3 SER 60 OK 100 100 - 100 - 4.0=100 H SER 50 - HB3 SER 60 lone 3 81 - 3 - 1896/3.0=1, 6750/4.6=1 H SER 50 - HB2 SER 60 lone 3 81 - 3 - 1896/3.0=1, 6750/4.6=1 H HIS 67 - HB2 SER 60 lone 1 57 - 2 - H HIS 67 - HB3 SER 60 lone 1 57 - 2 - H HIS 8 - HB3 SER 60 lone 1 65 - 1 - H HIS 8 - HB2 SER 60 lone 1 65 - 1 - Peak 1904 from cnoeabs.peaks (4.01, 3.91, 61.50 ppm; 3.56 A): 2 out of 12 assignments used, quality = 1.00: * HA SER 60 + HB2 SER 60 OK 100 100 - 100 - 3.0=100 HA SER 60 + HB3 SER 60 OK 100 100 - 100 - 3.0=100 HA ARG 135 - HB3 SER 60 lone 3 73 - 5 - 4.2/10976=2 HA ARG 135 - HB2 SER 60 lone 3 73 - 5 - 4.2/10976=2 HB3 SER 99 - HB2 SER 60 lone 2 96 - 2 - HB3 SER 99 - HB3 SER 60 lone 2 96 - 2 - HB2 SER 38 - HB2 SER 60 lone 2 92 - 2 - HB2 SER 38 - HB3 SER 60 lone 2 92 - 2 - HA LYS 95 - HB3 SER 60 lone 2 57 - 3 - HA LYS 95 - HB2 SER 60 lone 2 57 - 3 - HA LEU 103 - HB2 SER 60 lone 1 81 - 2 - HA LEU 103 - HB3 SER 60 lone 1 81 - 2 - Peak 1905 from cnoeabs.peaks (3.91, 3.91, 61.50 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 SER 60 + HB3 SER 60 OK 100 100 - 100 * HB2 SER 60 + HB2 SER 60 OK 100 100 - 100 Peak 1906 from cnoeabs.peaks (3.91, 3.91, 61.50 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 SER 60 + HB3 SER 60 OK 100 100 - 100 HB2 SER 60 + HB2 SER 60 OK 100 100 - 100 Reference assignment not found: HB3 SER 60 - HB2 SER 60 Peak 1907 from cnoeabs.peaks (7.42, 3.91, 61.50 ppm; 5.67 A): 2 out of 4 assignments used, quality = 1.00: H GLN 61 + HB3 SER 60 OK 100 100 - 100 - 4.6=100 * H GLN 61 + HB2 SER 60 OK 100 100 - 100 - 4.6=100 HE22 GLN 104 - HB3 SER 60 OK 13 81 - 16 - 1900/3.0=6, 6745/4.0=5 HE22 GLN 104 - HB2 SER 60 OK 13 81 - 16 - 1900/3.0=6, 6745/4.0=5 Peak 1908 from cnoeabs.peaks (8.66, 3.91, 61.50 ppm; 4.26 A): 2 out of 8 assignments used, quality = 1.00: H SER 60 + HB2 SER 60 OK 100 100 - 100 - 4.0=100 * H SER 60 + HB3 SER 60 OK 100 100 - 100 - 4.0=100 H SER 50 - HB3 SER 60 lone 3 81 - 3 - 1896/3.0=1, 6750/4.6=1 H SER 50 - HB2 SER 60 lone 3 81 - 3 - 1896/3.0=1, 6750/4.6=1 H HIS 67 - HB2 SER 60 lone 1 57 - 2 - H HIS 67 - HB3 SER 60 lone 1 57 - 2 - H HIS 8 - HB3 SER 60 lone 1 65 - 1 - H HIS 8 - HB2 SER 60 lone 1 65 - 1 - Peak 1909 from cnoeabs.peaks (4.01, 3.91, 61.50 ppm; 3.56 A): 2 out of 12 assignments used, quality = 1.00: HA SER 60 + HB2 SER 60 OK 100 100 - 100 - 3.0=100 * HA SER 60 + HB3 SER 60 OK 100 100 - 100 - 3.0=100 HA ARG 135 - HB3 SER 60 lone 3 73 - 5 - 4.2/10976=2 HA ARG 135 - HB2 SER 60 lone 3 73 - 5 - 4.2/10976=2 HB3 SER 99 - HB2 SER 60 lone 2 96 - 2 - HB3 SER 99 - HB3 SER 60 lone 2 96 - 2 - HB2 SER 38 - HB2 SER 60 lone 2 92 - 2 - HB2 SER 38 - HB3 SER 60 lone 2 92 - 2 - HA LYS 95 - HB3 SER 60 lone 2 57 - 3 - HA LYS 95 - HB2 SER 60 lone 2 57 - 3 - HA LEU 103 - HB2 SER 60 lone 1 81 - 2 - HA LEU 103 - HB3 SER 60 lone 1 81 - 2 - Peak 1910 from cnoeabs.peaks (3.91, 3.91, 61.50 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 SER 60 + HB3 SER 60 OK 100 100 - 100 HB2 SER 60 + HB2 SER 60 OK 100 100 - 100 Reference assignment not found: HB2 SER 60 - HB3 SER 60 Peak 1911 from cnoeabs.peaks (3.91, 3.91, 61.50 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 SER 60 + HB3 SER 60 OK 100 100 - 100 HB2 SER 60 + HB2 SER 60 OK 100 100 - 100 Peak 1912 from cnoeabs.peaks (7.42, 3.91, 61.50 ppm; 5.67 A): 2 out of 4 assignments used, quality = 1.00: * H GLN 61 + HB3 SER 60 OK 100 100 - 100 - 4.6=100 H GLN 61 + HB2 SER 60 OK 100 100 - 100 - 4.6=100 HE22 GLN 104 - HB3 SER 60 OK 13 81 - 16 - 1900/3.0=6, 6745/4.0=5 HE22 GLN 104 - HB2 SER 60 OK 13 81 - 16 - 1900/3.0=6, 6745/4.0=5 Peak 1913 from cnoeabs.peaks (7.42, 4.28, 57.87 ppm; 3.96 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 61 + HA GLN 61 OK 100 100 - 100 - 2.8=100 HE22 GLN 104 - HA GLN 61 OK 21 81 - 26 - 6783/3.6=7, 1952/3.8=3...(11) Peak 1914 from cnoeabs.peaks (4.28, 4.28, 57.87 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLN 61 + HA GLN 61 OK 100 100 - 100 Peak 1915 from cnoeabs.peaks (2.10, 4.28, 57.87 ppm; 3.30 A): 2 out of 5 assignments used, quality = 1.00: * HB2 GLN 61 + HA GLN 61 OK 100 100 - 100 - 3.0=100 HB3 GLN 61 + HA GLN 61 OK 98 98 - 100 - 3.0=100 HB VAL 57 - HA GLN 61 OK 17 73 - 24 - ~9298=5, ~10988=4...(11) HB VAL 126 - HA GLN 61 OK 12 81 - 15 - 6786/3.6=2, 4008/4.9=2...(7) HB3 GLN 82 - HA GLN 61 lone 3 87 - 3 - Peak 1916 from cnoeabs.peaks (2.10, 4.28, 57.87 ppm; 3.30 A): 2 out of 5 assignments used, quality = 1.00: * HB3 GLN 61 + HA GLN 61 OK 100 100 - 100 - 3.0=100 HB2 GLN 61 + HA GLN 61 OK 98 98 - 100 - 3.0=100 HB VAL 126 - HA GLN 61 OK 15 96 - 16 - 4008/4.9=3, 6786/3.6=2...(7) HG3 GLU 91 - HA GLN 61 lone 3 73 - 4 - 3.9/10985=2 HB3 GLN 82 - HA GLN 61 lone 2 65 - 3 - Peak 1917 from cnoeabs.peaks (2.28, 4.28, 57.87 ppm; 3.93 A): 1 out of 5 assignments used, quality = 1.00: * HG2 GLN 61 + HA GLN 61 OK 100 100 - 100 - 3.8=100 HB VAL 132 - HA GLN 61 OK 17 100 - 17 - 6787/3.6=5, 6757/2.8=3...(7) HB3 PRO 113 - HA GLN 61 poor 9 81 - 11 - ~10984=3, 6757/2.8=2...(4) HG2 GLU 97 - HA GLN 61 poor 6 57 - 11 - 1.8/1918=2, 6757/2.8=1...(4) HG2 GLU 30 - HA GLN 61 lone 6 87 - 6 - 6757/2.8=1, 1956/3.8=1 Peak 1918 from cnoeabs.peaks (2.41, 4.28, 57.87 ppm; 4.03 A): 1 out of 5 assignments used, quality = 1.00: * HG3 GLN 61 + HA GLN 61 OK 100 100 - 100 - 3.8=100 HB3 PRO 58 - HA GLN 61 OK 42 99 - 42 - 9331/3.6=17, 6758/2.8=9...(7) HG3 GLU 97 - HA GLN 61 poor 10 81 - 12 - 1.8/1917=2, 6758/2.8=2...(6) HG3 GLU 128 - HA GLN 61 lone 2 73 - 3 - HG2 GLN 101 - HA GLN 61 lone 1 57 - 1 - Peak 1921 from cnoeabs.peaks (7.43, 4.28, 57.87 ppm; 3.96 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 62 + HA GLN 61 OK 100 100 - 100 - 3.6=100 HE22 GLN 104 - HA GLN 61 OK 31 87 - 36 - 6761/2.8=8, 1951/3.8=6...(12) Peak 1922 from cnoeabs.peaks (7.96, 4.28, 57.87 ppm; 6.04 A): 1 out of 2 assignments used, quality = 0.92: * H ASP 64 + HA GLN 61 OK 92 100 - 92 - 3.9/1923=39, 3.9/1924=39...(10) H ILE 37 - HA GLN 61 lone 7 73 - 10 - 2048/1923=2, 2054/1924=2...(4) Peak 1923 from cnoeabs.peaks (2.75, 4.28, 57.87 ppm; 4.24 A): 1 out of 4 assignments used, quality = 0.65: * HB2 ASP 64 + HA GLN 61 OK 65 100 - 65 - 1.8/1924=36, 2047=26...(5) HB3 ASP 35 - HA GLN 61 lone 5 100 - 5 - 6839/6833=1, 2056/1924=1 HB2 CYS 73 - HA GLN 61 lone 2 98 - 2 - HB2 TYR 76 - HA GLN 61 lone 1 73 - 1 - Peak 1924 from cnoeabs.peaks (2.80, 4.28, 57.87 ppm; 4.00 A): 1 out of 4 assignments used, quality = 0.56: * HB3 ASP 64 + HA GLN 61 OK 56 100 - 56 - 1.8/1923=31, 2053=19...(4) HB2 ASN 121 - HA GLN 61 lone 3 98 - 3 - 3844/5.7=1 HB3 ASN 120 - HA GLN 61 lone 3 100 - 3 - HB2 ASN 120 - HA GLN 61 lone 3 100 - 3 - Peak 1925 from cnoeabs.peaks (7.42, 2.10, 28.56 ppm; 3.82 A): 2 out of 4 assignments used, quality = 0.99: * H GLN 61 + HB2 GLN 61 OK 97 100 - 97 - 4.0=90, 1952/3.0=25...(7) H GLN 61 + HB3 GLN 61 OK 84 87 - 97 - 4.0=90, 1952/3.0=25...(7) HE22 GLN 104 - HB2 GLN 61 OK 15 81 - 18 - 1913/3.0=5, 6783/4.6=5...(5) HE22 GLN 104 - HB3 GLN 61 OK 12 64 - 18 - 1913/3.0=5, 6783/4.6=5...(5) Peak 1926 from cnoeabs.peaks (4.28, 2.10, 28.56 ppm; 3.73 A): 2 out of 30 assignments used, quality = 1.00: * HA GLN 61 + HB2 GLN 61 OK 100 100 - 100 - 3.0=100 HA GLN 61 + HB3 GLN 61 OK 87 87 - 100 - 3.0=100 HB THR 115 - HB2 GLN 61 OK 24 81 - 30 - 2.1/10185=11, ~10185=8...(7) HB THR 115 - HB3 GLN 61 OK 18 64 - 29 - 2.1/10185=11, ~10185=8...(7) HA LEU 22 - HB2 GLN 61 lone 7 96 - 7 - 6754/4.0=1, ~377=1, ~385=1 HA LEU 22 - HB3 GLN 61 lone 6 79 - 7 - 6754/4.0=1, ~377=1, ~385=1 HA LYS 31 - HB2 GLN 61 lone 5 96 - 5 - 1944/3.0=1, 1953/3.0=1 HA LYS 31 - HB3 GLN 61 lone 4 79 - 5 - 1944/3.0=1, 1953/3.0=1 HA ALA 16 - HB2 GLN 61 lone 4 92 - 4 - HA ARG 23 - HB2 GLN 61 lone 3 92 - 3 - HA ALA 16 - HB3 GLN 61 lone 3 75 - 4 - HA ALA 109 - HB2 GLN 61 lone 3 96 - 3 - HA LYS 36 - HB2 GLN 61 lone 3 87 - 3 - HA ARG 23 - HB3 GLN 61 lone 2 75 - 3 - HA ALA 109 - HB3 GLN 61 lone 2 79 - 3 - HA ALA 110 - HB2 GLN 61 lone 2 98 - 2 - HA ALA 108 - HB2 GLN 61 lone 2 96 - 2 - HA LYS 36 - HB3 GLN 61 lone 2 70 - 3 - HA ALA 12 - HB2 GLN 61 lone 2 96 - 2 - HA ALA 110 - HB3 GLN 61 lone 2 83 - 2 - HA ALA 15 - HB2 GLN 61 lone 2 96 - 2 - HA ALA 108 - HB3 GLN 61 lone 2 79 - 2 - HA ALA 12 - HB3 GLN 61 lone 2 79 - 2 - HA ALA 15 - HB3 GLN 61 lone 2 79 - 2 - HA SER 74 - HB2 GLN 61 lone 1 57 - 1 - HA ALA 21 - HB2 GLN 61 lone 1 65 - 1 - HA SER 74 - HB3 GLN 61 lone 1 44 - 1 - HA ALA 21 - HB3 GLN 61 lone 1 50 - 1 - HA THR 25 - HB2 GLN 61 lone 1 57 - 1 - HA THR 25 - HB3 GLN 61 lone 0 44 - 1 - Peak 1927 from cnoeabs.peaks (2.10, 2.10, 28.56 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 GLN 61 + HB2 GLN 61 OK 100 100 - 100 HB3 GLN 61 + HB3 GLN 61 OK 83 83 - 100 Peak 1928 from cnoeabs.peaks (2.10, 2.10, 28.56 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB2 GLN 61 + HB2 GLN 61 OK 98 98 - 100 HB3 GLN 61 + HB3 GLN 61 OK 87 87 - 100 Reference assignment not found: HB3 GLN 61 - HB2 GLN 61 Peak 1929 from cnoeabs.peaks (2.28, 2.10, 28.56 ppm; 3.19 A): 2 out of 10 assignments used, quality = 1.00: * HG2 GLN 61 + HB2 GLN 61 OK 100 100 - 100 - 3.0=100 HG2 GLN 61 + HB3 GLN 61 OK 87 87 - 100 - 3.0=100 HB VAL 132 - HB2 GLN 61 OK 13 100 - 13 - 6787/4.6=2, 1917/3.0=2...(6) HB VAL 132 - HB3 GLN 61 OK 11 86 - 13 - 6787/4.6=2, 1917/3.0=2...(6) HB3 PRO 113 - HB2 GLN 61 lone 6 81 - 7 - 1917/3.0=1, 6757/4.0=1 HG2 GLU 97 - HB2 GLN 61 lone 5 57 - 9 - 1.8/1930=1 HG2 GLU 30 - HB2 GLN 61 lone 5 87 - 6 - HB3 PRO 113 - HB3 GLN 61 lone 5 64 - 7 - 1917/3.0=1, 6757/4.0=1 HG2 GLU 30 - HB3 GLN 61 lone 4 70 - 6 - HG2 GLU 97 - HB3 GLN 61 lone 4 44 - 9 - Peak 1930 from cnoeabs.peaks (2.41, 2.10, 28.56 ppm; 3.19 A): 2 out of 10 assignments used, quality = 1.00: * HG3 GLN 61 + HB2 GLN 61 OK 100 100 - 100 - 3.0=100 HG3 GLN 61 + HB3 GLN 61 OK 87 87 - 100 - 3.0=100 HB3 PRO 58 - HB2 GLN 61 OK 42 99 - 42 - 9331/4.6=8, 1948/3.0=7...(13) HB3 PRO 58 - HB3 GLN 61 OK 36 85 - 42 - 9331/4.6=8, 1948/3.0=7...(13) HG3 GLU 97 - HB2 GLN 61 lone 8 81 - 10 - 1918/3.0=1, 1948/3.0=1 HG3 GLU 97 - HB3 GLN 61 lone 6 64 - 9 - 1918/3.0=1, 1948/3.0=1 HG3 GLU 128 - HB2 GLN 61 lone 1 73 - 2 - HG3 GLU 128 - HB3 GLN 61 lone 1 57 - 2 - HG2 GLN 101 - HB2 GLN 61 lone 1 57 - 1 - HG2 GLN 101 - HB3 GLN 61 lone 0 44 - 1 - Peak 1932 from cnoeabs.peaks (7.56, 2.10, 28.56 ppm; 4.20 A): 2 out of 6 assignments used, quality = 0.98: * HE22 GLN 61 + HB2 GLN 61 OK 91 100 - 91 - 4.4=87, 6775/1.8=17...(4) HE22 GLN 61 + HB3 GLN 61 OK 79 87 - 91 - 4.4=87, 3.5/1955=17...(4) H GLN 82 - HB2 GLN 61 OK 10 96 - 10 - 1959/3.0=3, 1950/3.0=3...(4) H GLN 82 - HB3 GLN 61 poor 8 79 - 10 - 1959/3.0=3, 1950/3.0=3...(5) H THR 54 - HB2 GLN 61 lone 1 57 - 2 - H THR 54 - HB3 GLN 61 lone 1 44 - 2 - Peak 1933 from cnoeabs.peaks (7.43, 2.10, 28.56 ppm; 3.82 A): 2 out of 4 assignments used, quality = 0.95: * H LEU 62 + HB2 GLN 61 OK 83 100 - 83 - 4.6=56, 6783/4.0=23...(6) H LEU 62 + HB3 GLN 61 OK 72 87 - 83 - 4.6=56, 6783/4.0=23...(6) HE22 GLN 104 - HB2 GLN 61 OK 23 87 - 26 - 1960/3.0=7, 1951/3.0=7...(5) HE22 GLN 104 - HB3 GLN 61 OK 18 70 - 26 - 1960/3.0=7, 1951/3.0=7...(5) Peak 1934 from cnoeabs.peaks (7.42, 2.10, 28.56 ppm; 3.78 A): 2 out of 4 assignments used, quality = 0.99: * H GLN 61 + HB3 GLN 61 OK 96 100 - 96 - 4.0=87, 1952/3.0=25...(7) H GLN 61 + HB2 GLN 61 OK 83 87 - 96 - 4.0=87, 1952/3.0=25...(7) HE22 GLN 104 - HB3 GLN 61 OK 14 81 - 18 - 1913/3.0=5, 6783/4.6=5...(5) HE22 GLN 104 - HB2 GLN 61 OK 11 64 - 18 - 1913/3.0=5, 6783/4.6=5...(5) Peak 1935 from cnoeabs.peaks (4.28, 2.10, 28.56 ppm; 3.74 A): 2 out of 30 assignments used, quality = 1.00: * HA GLN 61 + HB3 GLN 61 OK 100 100 - 100 - 3.0=100 HA GLN 61 + HB2 GLN 61 OK 87 87 - 100 - 3.0=100 HB THR 115 - HB3 GLN 61 OK 23 81 - 29 - 2.1/10185=13, ~10185=8...(7) HB THR 115 - HB2 GLN 61 OK 19 64 - 30 - 2.1/10185=12, ~10185=8...(7) HA LEU 22 - HB3 GLN 61 lone 7 96 - 7 - 6754/4.0=1, ~377=1, ~385=1 HA LEU 22 - HB2 GLN 61 lone 6 79 - 7 - 6754/4.0=1, ~377=1, ~385=1 HA LYS 31 - HB3 GLN 61 lone 5 96 - 5 - 1944/3.0=1, 1953/3.0=1 HA LYS 31 - HB2 GLN 61 lone 4 79 - 5 - 1944/3.0=1, 1953/3.0=1 HA ALA 16 - HB3 GLN 61 lone 4 92 - 4 - HA ARG 23 - HB3 GLN 61 lone 3 92 - 3 - HA ALA 16 - HB2 GLN 61 lone 3 75 - 4 - HA ALA 109 - HB3 GLN 61 lone 3 96 - 3 - HA LYS 36 - HB3 GLN 61 lone 3 87 - 3 - HA ARG 23 - HB2 GLN 61 lone 2 75 - 3 - HA ALA 109 - HB2 GLN 61 lone 2 79 - 3 - HA ALA 110 - HB3 GLN 61 lone 2 98 - 2 - HA ALA 108 - HB3 GLN 61 lone 2 96 - 2 - HA LYS 36 - HB2 GLN 61 lone 2 70 - 3 - HA ALA 12 - HB3 GLN 61 lone 2 96 - 2 - HA ALA 110 - HB2 GLN 61 lone 2 83 - 2 - HA ALA 15 - HB3 GLN 61 lone 2 96 - 2 - HA ALA 108 - HB2 GLN 61 lone 2 79 - 2 - HA ALA 12 - HB2 GLN 61 lone 2 79 - 2 - HA ALA 15 - HB2 GLN 61 lone 2 79 - 2 - HA SER 74 - HB3 GLN 61 lone 1 57 - 1 - HA ALA 21 - HB3 GLN 61 lone 1 65 - 1 - HA SER 74 - HB2 GLN 61 lone 1 44 - 1 - HA ALA 21 - HB2 GLN 61 lone 1 50 - 1 - HA THR 25 - HB3 GLN 61 lone 1 57 - 1 - HA THR 25 - HB2 GLN 61 lone 0 44 - 1 - Peak 1936 from cnoeabs.peaks (2.10, 2.10, 28.56 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 GLN 61 + HB3 GLN 61 OK 98 98 - 100 HB2 GLN 61 + HB2 GLN 61 OK 87 87 - 100 Reference assignment not found: HB2 GLN 61 - HB3 GLN 61 Peak 1937 from cnoeabs.peaks (2.10, 2.10, 28.56 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 GLN 61 + HB3 GLN 61 OK 100 100 - 100 HB2 GLN 61 + HB2 GLN 61 OK 83 83 - 100 Peak 1938 from cnoeabs.peaks (2.28, 2.10, 28.56 ppm; 3.17 A): 2 out of 10 assignments used, quality = 1.00: * HG2 GLN 61 + HB3 GLN 61 OK 100 100 - 100 - 3.0=100 HG2 GLN 61 + HB2 GLN 61 OK 87 87 - 100 - 3.0=100 HB VAL 132 - HB3 GLN 61 OK 13 100 - 13 - 6787/4.6=2, 1917/3.0=2...(6) HB VAL 132 - HB2 GLN 61 OK 11 86 - 13 - 6787/4.6=2, 1917/3.0=2...(6) HB3 PRO 113 - HB3 GLN 61 lone 6 81 - 7 - 1917/3.0=1, 6757/4.0=1 HG2 GLU 97 - HB3 GLN 61 lone 5 57 - 9 - HG2 GLU 30 - HB3 GLN 61 lone 5 87 - 5 - HB3 PRO 113 - HB2 GLN 61 lone 5 64 - 7 - 1917/3.0=1, 6757/4.0=1 HG2 GLU 30 - HB2 GLN 61 lone 4 70 - 5 - HG2 GLU 97 - HB2 GLN 61 lone 4 44 - 9 - Peak 1939 from cnoeabs.peaks (2.41, 2.10, 28.56 ppm; 3.22 A): 2 out of 10 assignments used, quality = 1.00: * HG3 GLN 61 + HB3 GLN 61 OK 100 100 - 100 - 3.0=100 HG3 GLN 61 + HB2 GLN 61 OK 87 87 - 100 - 3.0=100 HB3 PRO 58 - HB3 GLN 61 OK 43 99 - 43 - 9331/4.6=8, 1948/3.0=7...(14) HB3 PRO 58 - HB2 GLN 61 OK 37 85 - 43 - 9331/4.6=8, 1948/3.0=7...(13) HG3 GLU 97 - HB3 GLN 61 lone 8 81 - 10 - 1918/3.0=1, 1948/3.0=1 HG3 GLU 97 - HB2 GLN 61 lone 6 64 - 10 - 1918/3.0=1, 1948/3.0=1 HG3 GLU 128 - HB3 GLN 61 lone 2 73 - 2 - HG3 GLU 128 - HB2 GLN 61 lone 1 57 - 2 - HG2 GLN 101 - HB3 GLN 61 lone 1 57 - 1 - HG2 GLN 101 - HB2 GLN 61 lone 1 44 - 1 - Peak 1941 from cnoeabs.peaks (7.56, 2.10, 28.56 ppm; 4.33 A): 2 out of 6 assignments used, quality = 0.99: * HE22 GLN 61 + HB3 GLN 61 OK 97 100 - 97 - 4.4=95, 3.5/1955=18...(4) HE22 GLN 61 + HB2 GLN 61 OK 84 87 - 97 - 4.4=95, 3.5/1955=18...(4) H GLN 82 - HB3 GLN 61 OK 10 96 - 10 - 1959/3.0=3, 1950/3.0=3, ~11245=1 H GLN 82 - HB2 GLN 61 poor 9 79 - 10 - 1959/3.0=3, 1950/3.0=3...(5) H THR 54 - HB3 GLN 61 lone 1 57 - 2 - H THR 54 - HB2 GLN 61 lone 1 44 - 2 - Peak 1942 from cnoeabs.peaks (7.43, 2.10, 28.56 ppm; 3.78 A): 2 out of 4 assignments used, quality = 0.95: * H LEU 62 + HB3 GLN 61 OK 82 100 - 82 - 4.6=55, 6783/4.0=22...(6) H LEU 62 + HB2 GLN 61 OK 71 87 - 82 - 4.6=55, 6783/4.0=22...(6) HE22 GLN 104 - HB3 GLN 61 OK 23 87 - 26 - 1960/3.0=7, 1951/3.0=7...(5) HE22 GLN 104 - HB2 GLN 61 OK 18 70 - 26 - 1960/3.0=7, 1951/3.0=7...(5) Peak 1943 from cnoeabs.peaks (7.42, 2.28, 33.67 ppm; 4.09 A): 2 out of 2 assignments used, quality = 0.93: * H GLN 61 + HG2 GLN 61 OK 91 100 - 92 - 4.5=74, 1952/1.8=36...(8) HE22 GLN 104 + HG2 GLN 61 OK 14 81 - 17 - 1952/1.8=5, 1913/3.8=5...(6) Peak 1944 from cnoeabs.peaks (4.28, 2.28, 33.67 ppm; 3.85 A): 1 out of 15 assignments used, quality = 1.00: * HA GLN 61 + HG2 GLN 61 OK 100 100 - 100 - 3.8=100 HB THR 115 - HG2 GLN 61 OK 12 81 - 15 - ~10185=6, 1953/1.8=3...(5) HA LYS 31 - HG2 GLN 61 lone 6 96 - 6 - 3.0/6328=2, 1953/1.8=2 HA LEU 22 - HG2 GLN 61 lone 5 96 - 5 - 1953/1.8=1, 6754/4.5=1 HA ALA 16 - HG2 GLN 61 lone 3 92 - 3 - HA ARG 23 - HG2 GLN 61 lone 3 92 - 3 - HA ALA 110 - HG2 GLN 61 lone 2 98 - 2 - HA ALA 109 - HG2 GLN 61 lone 2 96 - 2 - HA ALA 108 - HG2 GLN 61 lone 2 96 - 2 - HA LYS 36 - HG2 GLN 61 lone 2 87 - 2 - HA ALA 12 - HG2 GLN 61 lone 2 96 - 2 - HA ALA 15 - HG2 GLN 61 lone 2 96 - 2 - HA ALA 21 - HG2 GLN 61 lone 1 65 - 1 - HA SER 74 - HG2 GLN 61 lone 1 57 - 1 - HA THR 25 - HG2 GLN 61 lone 1 57 - 1 - Peak 1945 from cnoeabs.peaks (2.10, 2.28, 33.67 ppm; 3.05 A): 2 out of 5 assignments used, quality = 1.00: * HB2 GLN 61 + HG2 GLN 61 OK 100 100 - 100 - 3.0=100 HB3 GLN 61 + HG2 GLN 61 OK 98 98 - 100 - 3.0=100 HB VAL 57 - HG2 GLN 61 OK 37 73 - 50 - 2.1/9377=13...(13) HB VAL 126 - HG2 GLN 61 lone 8 81 - 9 - ~10988=2, 1955/1.8=1...(5) HB3 GLN 82 - HG2 GLN 61 lone 4 87 - 5 - 4.0/1950=1 Peak 1946 from cnoeabs.peaks (2.10, 2.28, 33.67 ppm; 3.05 A): 2 out of 5 assignments used, quality = 1.00: * HB3 GLN 61 + HG2 GLN 61 OK 100 100 - 100 - 3.0=100 HB2 GLN 61 + HG2 GLN 61 OK 98 98 - 100 - 3.0=100 HB VAL 126 - HG2 GLN 61 lone 9 96 - 10 - 1955/1.8=2, ~10988=2...(5) HB3 GLN 82 - HG2 GLN 61 lone 3 65 - 4 - 4.0/1950=1 HG3 GLU 91 - HG2 GLN 61 lone 2 73 - 2 - Peak 1947 from cnoeabs.peaks (2.28, 2.28, 33.67 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 61 + HG2 GLN 61 OK 100 100 - 100 Peak 1948 from cnoeabs.peaks (2.41, 2.28, 33.67 ppm; 2.55 A): 1 out of 5 assignments used, quality = 1.00: * HG3 GLN 61 + HG2 GLN 61 OK 100 100 - 100 - 1.8=100 HB3 PRO 58 - HG2 GLN 61 OK 31 99 - 31 - ~1842=4, 3.0/10980=4...(15) HG3 GLU 97 - HG2 GLN 61 lone 5 81 - 6 - HG3 GLU 128 - HG2 GLN 61 lone 1 73 - 1 - HG2 GLN 101 - HG2 GLN 61 lone 0 57 - 1 - Peak 1949 from cnoeabs.peaks (6.88, 2.28, 33.67 ppm; 4.11 A): 1 out of 3 assignments used, quality = 1.00: * HE21 GLN 61 + HG2 GLN 61 OK 100 100 - 100 - 3.5=100 HD21 ASN 121 - HG2 GLN 61 lone 7 98 - 7 - 1958/1.8=3, 9299/9377=1...(4) HE21 GLN 134 - HG2 GLN 61 lone 1 73 - 1 - Peak 1950 from cnoeabs.peaks (7.56, 2.28, 33.67 ppm; 3.82 A): 1 out of 3 assignments used, quality = 1.00: * HE22 GLN 61 + HG2 GLN 61 OK 100 100 - 100 - 3.5=100 H GLN 82 - HG2 GLN 61 lone 8 96 - 8 - 1959/1.8=3, 1932/3.0=1 H THR 54 - HG2 GLN 61 lone 1 57 - 2 - Peak 1951 from cnoeabs.peaks (7.43, 2.28, 33.67 ppm; 4.09 A): 2 out of 2 assignments used, quality = 0.75: * H LEU 62 + HG2 GLN 61 OK 67 100 - 67 - 1960/1.8=31, 6783/4.5=22...(7) HE22 GLN 104 + HG2 GLN 61 OK 24 87 - 28 - 1960/1.8=10, 1921/3.8=6...(5) Peak 1952 from cnoeabs.peaks (7.42, 2.41, 33.67 ppm; 3.78 A): 2 out of 2 assignments used, quality = 0.87: * H GLN 61 + HG3 GLN 61 OK 85 100 - 85 - 4.5=58, 1943/1.8=28...(9) HE22 GLN 104 + HG3 GLN 61 OK 12 81 - 15 - 1943/1.8=4, 1913/3.8=4...(5) Peak 1953 from cnoeabs.peaks (4.28, 2.41, 33.67 ppm; 3.67 A): 1 out of 15 assignments used, quality = 0.97: * HA GLN 61 + HG3 GLN 61 OK 97 100 - 97 - 3.8=89, 2.8/1952=25...(10) HB THR 115 - HG3 GLN 61 OK 11 81 - 14 - ~10185=5, 1944/1.8=3...(5) HA LYS 31 - HG3 GLN 61 lone 5 96 - 5 - 1944/1.8=1, ~6328=1 HA LEU 22 - HG3 GLN 61 lone 4 96 - 5 - 1944/1.8=1, 6754/4.5=1 HA ARG 23 - HG3 GLN 61 lone 2 92 - 3 - HA ALA 16 - HG3 GLN 61 lone 2 92 - 3 - HA ALA 110 - HG3 GLN 61 lone 2 98 - 2 - HA ALA 109 - HG3 GLN 61 lone 2 96 - 2 - HA ALA 108 - HG3 GLN 61 lone 2 96 - 2 - HA ALA 12 - HG3 GLN 61 lone 2 96 - 2 - HA LYS 36 - HG3 GLN 61 lone 2 87 - 2 - HA ALA 15 - HG3 GLN 61 lone 2 96 - 2 - HA ALA 21 - HG3 GLN 61 lone 1 65 - 1 - HA SER 74 - HG3 GLN 61 lone 1 57 - 1 - HA THR 25 - HG3 GLN 61 lone 0 57 - 1 - Peak 1954 from cnoeabs.peaks (2.10, 2.41, 33.67 ppm; 2.88 A): 2 out of 5 assignments used, quality = 0.99: * HB2 GLN 61 + HG3 GLN 61 OK 92 100 - 92 - 3.0=88, 3.0/1953=12...(5) HB3 GLN 61 + HG3 GLN 61 OK 90 98 - 92 - 3.0=88, 3.0/1953=12...(5) HB VAL 57 - HG3 GLN 61 OK 35 73 - 47 - 2.1/10986=13...(13) HB VAL 126 - HG3 GLN 61 lone 7 81 - 8 - ~10988=1, 1946/1.8=1, ~4017=1 HB3 GLN 82 - HG3 GLN 61 lone 4 87 - 4 - 4.0/1959=1 Peak 1955 from cnoeabs.peaks (2.10, 2.41, 33.67 ppm; 2.88 A): 2 out of 5 assignments used, quality = 0.99: * HB3 GLN 61 + HG3 GLN 61 OK 92 100 - 92 - 3.0=88, 3.0/1953=12...(5) HB2 GLN 61 + HG3 GLN 61 OK 90 98 - 92 - 3.0=88, 3.0/1953=12...(5) HB VAL 126 - HG3 GLN 61 lone 8 96 - 8 - 1946/1.8=1, ~10988=1...(4) HB3 GLN 82 - HG3 GLN 61 lone 3 65 - 4 - 4.0/1959=1 HG3 GLU 91 - HG3 GLN 61 lone 1 73 - 2 - Peak 1956 from cnoeabs.peaks (2.28, 2.41, 33.67 ppm; 2.50 A): 1 out of 5 assignments used, quality = 1.00: * HG2 GLN 61 + HG3 GLN 61 OK 100 100 - 100 - 1.8=100 HB VAL 132 - HG3 GLN 61 lone 8 100 - 8 - 1917/3.8=1, 6776/3.5=1 HB3 PRO 113 - HG3 GLN 61 lone 4 81 - 5 - HG2 GLU 30 - HG3 GLN 61 lone 4 87 - 4 - HG2 GLU 97 - HG3 GLN 61 lone 4 57 - 6 - Peak 1957 from cnoeabs.peaks (2.41, 2.41, 33.67 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 61 + HG3 GLN 61 OK 100 100 - 100 Peak 1958 from cnoeabs.peaks (6.88, 2.41, 33.67 ppm; 4.32 A): 1 out of 3 assignments used, quality = 1.00: * HE21 GLN 61 + HG3 GLN 61 OK 100 100 - 100 - 3.5=100 HD21 ASN 121 - HG3 GLN 61 lone 10 98 - 10 - 1949/1.8=3, 10336/1826=2...(5) HE21 GLN 134 - HG3 GLN 61 lone 1 73 - 1 - Peak 1959 from cnoeabs.peaks (7.56, 2.41, 33.67 ppm; 3.69 A): 1 out of 3 assignments used, quality = 1.00: * HE22 GLN 61 + HG3 GLN 61 OK 100 100 - 100 - 3.5=100 H GLN 82 - HG3 GLN 61 lone 9 96 - 9 - 1950/1.8=3, 1932/3.0=1 H THR 54 - HG3 GLN 61 lone 1 57 - 2 - Peak 1960 from cnoeabs.peaks (7.43, 2.41, 33.67 ppm; 3.78 A): 2 out of 2 assignments used, quality = 0.73: * H LEU 62 + HG3 GLN 61 OK 66 100 - 66 - 1951/1.8=24, 3.6/1953=18...(8) HE22 GLN 104 + HG3 GLN 61 OK 22 87 - 24 - 1951/1.8=9, 1921/3.8=5...(5) Peak 1961 from cnoeabs.peaks (7.43, 3.85, 57.95 ppm; 4.34 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 62 + HA LEU 62 OK 100 100 - 100 - 2.9=100 HE22 GLN 104 - HA LEU 62 OK 43 87 - 49 - 1972/3.0=9, 2005/4.1=9...(12) Peak 1962 from cnoeabs.peaks (3.85, 3.85, 57.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 62 + HA LEU 62 OK 100 100 - 100 Peak 1963 from cnoeabs.peaks (2.06, 3.85, 57.95 ppm; 4.14 A): 2 out of 8 assignments used, quality = 1.00: * HB2 LEU 62 + HA LEU 62 OK 100 100 - 100 - 3.0=100 HB2 GLN 127 + HA LEU 62 OK 61 100 - 61 - 10436/4.1=11...(13) HG3 PRO 81 - HA LEU 62 OK 36 92 - 40 - 2.3/11896=8, 6792/2.9=5...(16) HG2 PRO 117 - HA LEU 62 OK 17 98 - 17 - 1983/3.0=2, 6792/2.9=2...(7) HG3 PRO 113 - HA LEU 62 OK 17 96 - 17 - 1983/3.0=2, ~3614=2...(12) HG3 PRO 117 - HA LEU 62 OK 14 87 - 15 - 1983/3.0=2, 6792/2.9=1...(7) HB3 GLN 27 - HA LEU 62 OK 11 96 - 12 - 1983/3.0=1, 6806/3.6=1 HB VAL 118 - HA LEU 62 OK 11 100 - 11 - 6806/3.6=2, 1983/3.0=1 Peak 1964 from cnoeabs.peaks (1.14, 3.85, 57.95 ppm; 4.22 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 62 + HA LEU 62 OK 100 100 - 100 - 3.0=100 QG2 VAL 132 - HA LEU 62 OK 38 87 - 43 - 6793/2.9=9, ~11653=8...(9) Peak 1965 from cnoeabs.peaks (1.65, 3.85, 57.95 ppm; 4.03 A): 3 out of 7 assignments used, quality = 1.00: * HG LEU 62 + HA LEU 62 OK 100 100 - 100 - 3.7=100 HG LEU 43 + HA LEU 62 OK 71 92 - 77 - 2.1/11805=17, ~10995=15...(17) HB2 LEU 123 + HA LEU 62 OK 65 99 - 65 - 4.6/9383=12, 3920=12...(16) HD2 LYS 19 - HA LEU 62 OK 14 100 - 14 - 6794/2.9=2, 1985/3.0=1...(8) HD3 LYS 19 - HA LEU 62 OK 14 100 - 14 - 6794/2.9=2, 1985/3.0=1...(8) HB2 LEU 98 - HA LEU 62 OK 10 96 - 11 - 2001/3.9=1, 6794/2.9=1...(5) HD2 LYS 95 - HA LEU 62 lone 2 87 - 2 - Peak 1966 from cnoeabs.peaks (0.68, 3.85, 57.95 ppm; 3.54 A): 2 out of 2 assignments used, quality = 0.95: * QD2 LEU 62 + HA LEU 62 OK 91 100 - 91 - 3.9=74, 1997/2.9=17...(15) QD2 LEU 100 + HA LEU 62 OK 43 98 - 44 - 6795/2.9=8, 1986/3.0=8...(10) Peak 1967 from cnoeabs.peaks (0.91, 3.85, 57.95 ppm; 3.42 A): 3 out of 5 assignments used, quality = 0.95: * QD1 LEU 62 + HA LEU 62 OK 83 100 - 83 - 4.1=58, 2.1/1966=22...(12) QG2 VAL 63 + HA LEU 62 OK 47 98 - 48 - 11012/3.0=18...(6) QD1 LEU 49 + HA LEU 62 OK 42 100 - 42 - 2.1/10994=17, ~10993=7...(8) QD2 LEU 48 - HA LEU 62 OK 16 92 - 17 - 10957/10997=6...(8) QG1 VAL 20 - HA LEU 62 lone 6 87 - 6 - 6814/3.6=1 Peak 1968 from cnoeabs.peaks (8.20, 3.85, 57.95 ppm; 4.84 A): 2 out of 2 assignments used, quality = 1.00: * H VAL 63 + HA LEU 62 OK 100 100 - 100 - 3.6=100 H GLN 127 + HA LEU 62 OK 69 96 - 73 - 7803=14, 2004/3.9=12...(16) Peak 1969 from cnoeabs.peaks (8.38, 3.85, 57.95 ppm; 5.84 A): 1 out of 5 assignments used, quality = 0.93: * H THR 65 + HA LEU 62 OK 93 100 - 93 - 4.0/10997=37, 6834=36...(11) H GLN 27 - HA LEU 62 lone 7 73 - 9 - 4.0/1963=2, 6816/3.6=2, ~695=1 H ASP 35 - HA LEU 62 lone 5 87 - 6 - 6816/3.6=2 H HIS 3 - HA LEU 62 lone 5 100 - 5 - 6816/3.6=1 H LYS 26 - HA LEU 62 lone 2 57 - 3 - Peak 1970 from cnoeabs.peaks (4.07, 3.85, 57.95 ppm; 4.61 A): 3 out of 3 assignments used, quality = 0.76: * HB THR 65 + HA LEU 62 OK 66 100 - 66 - 2.1/10997=33, 2067=25...(4) HB2 SER 74 + HA LEU 62 OK 15 99 - 15 - 11127/3.7=6, 11131/4.1=4...(4) HB3 SER 74 + HA LEU 62 OK 15 98 - 15 - 11127/3.7=6, 11131/4.1=4...(4) Peak 1971 from cnoeabs.peaks (4.33, 2.06, 42.10 ppm; 6.80 A): 2 out of 5 assignments used, quality = 0.98: * HA ASN 59 + HB2 LEU 62 OK 95 100 - 95 - 9360/1.8=48, 1879/3.9=34...(12) HA PRO 81 + HB2 LEU 62 OK 59 98 - 61 - ~11896=18, 1980/1.8=12...(11) HA LYS 24 - HB2 LEU 62 OK 39 100 - 39 - ~10733=12, 1980/1.8=8...(6) HA LEU 69 - HB2 LEU 62 OK 23 98 - 24 - 9388/3.2=5, 11000/3.0=5...(5) HA ASP 47 - HB2 LEU 62 OK 11 65 - 16 - ~10956=3, 11000/3.0=2...(7) Peak 1972 from cnoeabs.peaks (7.43, 2.06, 42.10 ppm; 4.85 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 62 + HB2 LEU 62 OK 100 100 - 100 - 3.9=100 HE22 GLN 104 + HB2 LEU 62 OK 54 87 - 62 - 2005/3.2=13, 1997/3.1=13...(12) Peak 1973 from cnoeabs.peaks (3.85, 2.06, 42.10 ppm; 5.01 A): 3 out of 6 assignments used, quality = 1.00: * HA LEU 62 + HB2 LEU 62 OK 100 100 - 100 - 3.0=100 HA LEU 123 + HB2 LEU 62 OK 70 99 - 71 - 1998/3.1=11, 1982/1.8=10...(22) HD2 PRO 81 + HB2 LEU 62 OK 49 87 - 56 - ~11896=9, 1982/1.8=8...(19) HA GLU 40 - HB2 LEU 62 OK 31 96 - 32 - 1982/1.8=4, ~11008=4...(13) HB2 SER 50 - HB2 LEU 62 OK 19 73 - 26 - ~11001=7, 2006/3.2=3...(10) HB3 SER 33 - HB2 LEU 62 lone 8 87 - 8 - 1990/3.0=1, 1982/1.8=1 Peak 1974 from cnoeabs.peaks (2.06, 2.06, 42.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 62 + HB2 LEU 62 OK 100 100 - 100 Peak 1975 from cnoeabs.peaks (1.14, 2.06, 42.10 ppm; 4.18 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 62 + HB2 LEU 62 OK 100 100 - 100 - 1.8=100 QG2 VAL 132 - HB2 LEU 62 OK 35 87 - 40 - 1964/3.0=8, 6793/3.9=7...(10) Peak 1976 from cnoeabs.peaks (1.65, 2.06, 42.10 ppm; 4.81 A): 3 out of 7 assignments used, quality = 1.00: * HG LEU 62 + HB2 LEU 62 OK 100 100 - 100 - 3.0=100 HG LEU 43 + HB2 LEU 62 OK 83 92 - 91 - ~10995=28, ~11089=22...(20) HB2 LEU 123 + HB2 LEU 62 OK 75 99 - 76 - ~10348=11, 3920/3.0=11...(23) HD2 LYS 19 - HB2 LEU 62 OK 20 100 - 19 - 1985/1.8=3, 1965/3.0=2...(10) HD3 LYS 19 - HB2 LEU 62 OK 20 100 - 19 - 1985/1.8=3, 1965/3.0=2...(10) HB2 LEU 98 - HB2 LEU 62 OK 14 96 - 14 - 2001/3.1=2, 1985/1.8=2...(7) HD2 LYS 95 - HB2 LEU 62 lone 3 87 - 3 - Peak 1977 from cnoeabs.peaks (0.68, 2.06, 42.10 ppm; 4.65 A): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 62 + HB2 LEU 62 OK 100 100 - 100 - 3.1=100 QD2 LEU 100 + HB2 LEU 62 OK 65 98 - 66 - 1986/1.8=16, 1966/3.0=13...(10) Peak 1978 from cnoeabs.peaks (0.91, 2.06, 42.10 ppm; 4.01 A): 3 out of 5 assignments used, quality = 1.00: * QD1 LEU 62 + HB2 LEU 62 OK 100 100 - 100 - 3.2=100 QG2 VAL 63 + HB2 LEU 62 OK 72 98 - 74 - 11012/1.8=31...(12) QD1 LEU 49 + HB2 LEU 62 OK 52 100 - 52 - ~10994=11, ~10992=11...(13) QD2 LEU 48 - HB2 LEU 62 OK 14 92 - 15 - 1967/3.0=3, 1987/1.8=2...(6) QG1 VAL 20 - HB2 LEU 62 lone 7 87 - 8 - 1967/3.0=1, 1987/1.8=1 Peak 1979 from cnoeabs.peaks (8.20, 2.06, 42.10 ppm; 5.71 A): 2 out of 2 assignments used, quality = 1.00: * H VAL 63 + HB2 LEU 62 OK 100 100 - 100 - 4.5=100 H GLN 127 + HB2 LEU 62 OK 77 96 - 80 - ~11006=24, 2004/3.1=18...(16) Peak 1980 from cnoeabs.peaks (4.33, 1.14, 42.10 ppm; 5.61 A): 2 out of 5 assignments used, quality = 0.96: * HA ASN 59 + HB3 LEU 62 OK 92 100 - 92 - 1881=44, 1880/1.8=33...(12) HA PRO 81 + HB3 LEU 62 OK 49 98 - 50 - ~11896=14, 6780/3.9=9...(9) HA LYS 24 - HB3 LEU 62 OK 31 100 - 31 - ~10733=8, 11000/3.0=6...(6) HA LEU 69 - HB3 LEU 62 OK 19 98 - 19 - 9388/3.2=5, 11000/3.0=4...(5) HA ASP 47 - HB3 LEU 62 poor 8 65 - 13 - ~10956=2, 9388/3.2=2...(7) Peak 1982 from cnoeabs.peaks (3.85, 1.14, 42.10 ppm; 4.79 A): 3 out of 6 assignments used, quality = 1.00: * HA LEU 62 + HB3 LEU 62 OK 100 100 - 100 - 3.0=100 HA LEU 123 + HB3 LEU 62 OK 65 99 - 65 - 1998/3.1=10, 1973/1.8=9...(19) HD2 PRO 81 + HB3 LEU 62 OK 48 87 - 56 - ~11896=8, 1973/1.8=7...(19) HA GLU 40 - HB3 LEU 62 OK 27 96 - 29 - 1973/1.8=4, ~11008=3...(12) HB2 SER 50 - HB3 LEU 62 OK 18 73 - 25 - ~11001=7, 1998/3.1=3...(10) HB3 SER 33 - HB3 LEU 62 lone 7 87 - 8 - 1973/1.8=1, 1990/3.0=1 Peak 1983 from cnoeabs.peaks (2.06, 1.14, 42.10 ppm; 4.15 A): 2 out of 8 assignments used, quality = 1.00: * HB2 LEU 62 + HB3 LEU 62 OK 100 100 - 100 - 1.8=100 HB2 GLN 127 + HB3 LEU 62 OK 69 100 - 70 - 4.0/11004=14...(17) HG3 PRO 81 - HB3 LEU 62 OK 42 92 - 46 - ~11896=7, 2.3/1982=5...(19) HG2 PRO 117 - HB3 LEU 62 OK 19 98 - 19 - 2007/3.2=2, 1963/3.0=2...(8) HG3 PRO 113 - HB3 LEU 62 OK 18 96 - 19 - ~3614=2, ~3574=2...(11) HG3 PRO 117 - HB3 LEU 62 OK 16 87 - 18 - 2007/3.2=2, 1991/3.0=2...(9) HB VAL 118 - HB3 LEU 62 OK 12 100 - 12 - 1963/3.0=1, 2007/3.2=1...(5) HB3 GLN 27 - HB3 LEU 62 poor 10 96 - 10 - 1963/3.0=1, 2007/3.2=1 Peak 1984 from cnoeabs.peaks (1.14, 1.14, 42.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 62 + HB3 LEU 62 OK 100 100 - 100 Peak 1985 from cnoeabs.peaks (1.65, 1.14, 42.10 ppm; 4.87 A): 3 out of 7 assignments used, quality = 1.00: * HG LEU 62 + HB3 LEU 62 OK 100 100 - 100 - 3.0=100 HG LEU 43 + HB3 LEU 62 OK 82 92 - 90 - 2.1/10995=39...(19) HB2 LEU 123 + HB3 LEU 62 OK 76 99 - 77 - ~10348=12, 3920/3.0=11...(23) HD2 LYS 19 - HB3 LEU 62 OK 20 100 - 20 - 1976/1.8=3, 1965/3.0=2...(10) HD3 LYS 19 - HB3 LEU 62 OK 20 100 - 20 - 1976/1.8=3, 1965/3.0=2...(10) HB2 LEU 98 - HB3 LEU 62 OK 14 96 - 15 - 2001/3.1=2, 1976/1.8=2...(7) HD2 LYS 95 - HB3 LEU 62 lone 3 87 - 4 - Peak 1986 from cnoeabs.peaks (0.68, 1.14, 42.10 ppm; 4.40 A): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 62 + HB3 LEU 62 OK 100 100 - 100 - 3.1=100 QD2 LEU 100 + HB3 LEU 62 OK 61 98 - 62 - 1977/1.8=14, 1966/3.0=12...(10) Peak 1987 from cnoeabs.peaks (0.91, 1.14, 42.10 ppm; 3.90 A): 3 out of 5 assignments used, quality = 1.00: * QD1 LEU 62 + HB3 LEU 62 OK 100 100 - 100 - 3.2=100 QG2 VAL 63 + HB3 LEU 62 OK 76 98 - 77 - 11012=38, 3.7/6807=17...(14) QD1 LEU 49 + HB3 LEU 62 OK 49 100 - 49 - ~10994=10, ~10992=10...(13) QD2 LEU 48 - HB3 LEU 62 OK 13 92 - 14 - 1967/3.0=3, 1978/1.8=2...(6) QG1 VAL 20 - HB3 LEU 62 lone 6 87 - 7 - 1978/1.8=1, 1967/3.0=1 Peak 1989 from cnoeabs.peaks (7.43, 1.65, 26.14 ppm; 4.90 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 62 + HG LEU 62 OK 100 100 - 100 - 4.8=100 HE22 GLN 104 + HG LEU 62 OK 55 87 - 63 - 2005/2.1=16, 1997/2.1=15...(12) Peak 1990 from cnoeabs.peaks (3.85, 1.65, 26.14 ppm; 5.22 A): 2 out of 6 assignments used, quality = 1.00: * HA LEU 62 + HG LEU 62 OK 100 100 - 100 - 3.7=100 HA LEU 123 + HG LEU 62 OK 73 99 - 74 - 1998/2.1=12, 2006/2.1=11...(19) HD2 PRO 81 - HG LEU 62 OK 41 87 - 48 - 1982/3.0=7, 2006/2.1=7...(12) HA GLU 40 - HG LEU 62 OK 28 96 - 29 - ~11008=5, 1973/3.0=4...(11) HB2 SER 50 - HG LEU 62 OK 20 73 - 27 - ~11001=10, ~9217=4...(7) HB3 SER 33 - HG LEU 62 poor 9 87 - 11 - 10863/10992=1...(4) Peak 1991 from cnoeabs.peaks (2.06, 1.65, 26.14 ppm; 4.53 A): 2 out of 8 assignments used, quality = 1.00: * HB2 LEU 62 + HG LEU 62 OK 100 100 - 100 - 3.0=100 HB2 GLN 127 + HG LEU 62 OK 65 100 - 65 - 10436/2.1=18...(13) HG3 PRO 81 - HG LEU 62 OK 38 92 - 42 - 1983/3.0=5, 2007/2.1=5...(14) HG2 PRO 117 - HG LEU 62 OK 19 98 - 19 - 2007/2.1=3, 1999/2.1=2...(8) HG3 PRO 113 - HG LEU 62 OK 18 96 - 18 - 1983/3.0=2, 2007/2.1=2...(10) HG3 PRO 117 - HG LEU 62 OK 16 87 - 18 - 2007/2.1=2, 1999/2.1=2...(8) HB VAL 118 - HG LEU 62 OK 11 100 - 11 - 2007/2.1=2, 1999/2.1=2...(4) HB3 GLN 27 - HG LEU 62 lone 9 96 - 10 - 2007/2.1=2, 1999/2.1=1...(4) Peak 1992 from cnoeabs.peaks (1.14, 1.65, 26.14 ppm; 4.86 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 62 + HG LEU 62 OK 100 100 - 100 - 3.0=100 QG2 VAL 132 - HG LEU 62 OK 37 87 - 42 - 1975/3.0=10, 1964/3.7=9...(8) Peak 1993 from cnoeabs.peaks (1.65, 1.65, 26.14 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 62 + HG LEU 62 OK 100 100 - 100 Peak 1994 from cnoeabs.peaks (0.68, 1.65, 26.14 ppm; 3.74 A): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 62 + HG LEU 62 OK 100 100 - 100 - 2.1=100 QD2 LEU 100 + HG LEU 62 OK 49 98 - 50 - 2010/2.1=11, 1986/3.0=9...(10) Peak 1995 from cnoeabs.peaks (0.91, 1.65, 26.14 ppm; 3.33 A): 2 out of 5 assignments used, quality = 1.00: * QD1 LEU 62 + HG LEU 62 OK 100 100 - 100 - 2.1=100 QG2 VAL 63 + HG LEU 62 OK 57 98 - 58 - 11012/3.0=17, ~9386=11...(11) QD1 LEU 49 - HG LEU 62 OK 40 100 - 40 - 2.1/10992=17, 2003/2.1=5...(10) QD2 LEU 48 - HG LEU 62 OK 11 92 - 12 - 2003/2.1=2, 1967/3.7=2...(5) QG1 VAL 20 - HG LEU 62 lone 5 87 - 6 - Peak 1997 from cnoeabs.peaks (7.43, 0.68, 23.19 ppm; 3.94 A): 2 out of 2 assignments used, quality = 0.90: * H LEU 62 + QD2 LEU 62 OK 84 100 - 84 - 5.0=49, 2.9/1966=23...(9) HE22 GLN 104 + QD2 LEU 62 OK 40 87 - 46 - 2005/2.1=12, 1989/2.1=9...(11) Peak 1998 from cnoeabs.peaks (3.85, 0.68, 23.19 ppm; 3.22 A): 5 out of 6 assignments used, quality = 0.92: * HA LEU 62 + QD2 LEU 62 OK 82 100 - 82 - 3.9=56, 2.9/1997=14...(14) HA LEU 123 + QD2 LEU 62 OK 38 99 - 38 - 3.9/10348=9, 3.0/2001=5...(13) HD2 PRO 81 + QD2 LEU 62 OK 17 87 - 19 - 2.3/1999=3, 2006/2.1=3...(9) HA GLU 40 + QD2 LEU 62 OK 10 96 - 11 - 2.8/11008=3, 2006/2.1=2...(5) HB2 SER 50 + QD2 LEU 62 OK 10 73 - 14 - 3.9/10990=4, ~11001=3...(4) HB3 SER 33 - QD2 LEU 62 lone 3 87 - 4 - Peak 1999 from cnoeabs.peaks (2.06, 0.68, 23.19 ppm; 3.42 A): 2 out of 8 assignments used, quality = 1.00: * HB2 LEU 62 + QD2 LEU 62 OK 100 100 - 100 - 3.1=100 HB2 GLN 127 + QD2 LEU 62 OK 52 100 - 52 - 4.7/11006=11...(15) HG3 PRO 81 - QD2 LEU 62 OK 23 92 - 25 - 2.3/1998=4, 2007/2.1=3...(11) HG2 PRO 117 - QD2 LEU 62 OK 11 98 - 11 - 2007/2.1=2, 1991/2.1=1...(4) HG3 PRO 113 - QD2 LEU 62 OK 10 96 - 11 - 2007/2.1=2, 1991/2.1=1...(4) HG3 PRO 117 - QD2 LEU 62 poor 9 87 - 10 - 2007/2.1=1, 1991/2.1=1...(5) HB VAL 118 - QD2 LEU 62 lone 7 100 - 7 - 2007/2.1=1 HB3 GLN 27 - QD2 LEU 62 lone 6 96 - 6 - 2007/2.1=1 Peak 2000 from cnoeabs.peaks (1.14, 0.68, 23.19 ppm; 3.47 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 62 + QD2 LEU 62 OK 100 100 - 100 - 3.1=100 QG2 VAL 132 - QD2 LEU 62 OK 21 87 - 24 - 2008/2.1=6, 1975/3.1=5...(5) Peak 2001 from cnoeabs.peaks (1.65, 0.68, 23.19 ppm; 3.15 A): 1 out of 7 assignments used, quality = 1.00: * HG LEU 62 + QD2 LEU 62 OK 100 100 - 100 - 2.1=100 HG LEU 43 - QD2 LEU 62 OK 44 92 - 48 - ~10995=8, 2009/2.1=6...(15) HB2 LEU 123 - QD2 LEU 62 OK 43 99 - 43 - 3.2/10348=10, 2009/2.1=6...(17) HB2 LEU 98 - QD2 LEU 62 poor 10 96 - 10 - 4.6/11008=2, 9316/9319=1 HD3 LYS 19 - QD2 LEU 62 lone 8 100 - 8 - 2009/2.1=1 HD2 LYS 19 - QD2 LEU 62 lone 8 100 - 8 - 2009/2.1=1 HD2 LYS 95 - QD2 LEU 62 lone 1 87 - 1 - Peak 2002 from cnoeabs.peaks (0.68, 0.68, 23.19 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 62 + QD2 LEU 62 OK 100 100 - 100 Peak 2003 from cnoeabs.peaks (0.91, 0.68, 23.19 ppm; 2.50 A): 1 out of 5 assignments used, quality = 1.00: * QD1 LEU 62 + QD2 LEU 62 OK 100 100 - 100 - 2.1=100 QG2 VAL 63 - QD2 LEU 62 OK 37 98 - 38 - 3.2/9386=13, 11012/3.1=8...(10) QD1 LEU 49 - QD2 LEU 62 OK 20 100 - 20 - ~10992=5, 1995/2.1=3...(8) QD2 LEU 48 - QD2 LEU 62 lone 7 92 - 8 - 10957/9432=2 QG1 VAL 20 - QD2 LEU 62 lone 3 87 - 4 - Peak 2004 from cnoeabs.peaks (8.20, 0.68, 23.19 ppm; 4.32 A): 2 out of 2 assignments used, quality = 0.96: * H VAL 63 + QD2 LEU 62 OK 91 100 - 91 - 2.9/9386=40, 6809=27...(14) H GLN 127 + QD2 LEU 62 OK 59 96 - 62 - 3.2/11006=26, 1968/3.9=9...(14) Peak 2005 from cnoeabs.peaks (7.43, 0.91, 26.02 ppm; 4.22 A): 2 out of 2 assignments used, quality = 0.98: * H LEU 62 + QD1 LEU 62 OK 95 100 - 95 - 4.6=78, 1997/2.1=27...(13) HE22 GLN 104 + QD1 LEU 62 OK 54 87 - 63 - 1997/2.1=13...(15) Peak 2006 from cnoeabs.peaks (3.85, 0.91, 26.02 ppm; 4.30 A): 2 out of 6 assignments used, quality = 1.00: * HA LEU 62 + QD1 LEU 62 OK 100 100 - 100 - 4.1=100 HA LEU 123 + QD1 LEU 62 OK 52 99 - 52 - 1998/2.1=11, 3910/2.1=8...(15) HD2 PRO 81 - QD1 LEU 62 OK 32 87 - 37 - 1998/2.1=5, 1982/3.2=5...(12) HB2 SER 50 - QD1 LEU 62 OK 17 73 - 23 - 3.0/11001=11, 3.9/6622=4...(6) HA GLU 40 - QD1 LEU 62 OK 17 96 - 18 - ~11008=3, 1998/2.1=3...(6) HB3 SER 33 - QD1 LEU 62 lone 6 87 - 7 - 10861/9394=1, 1998/2.1=1 Peak 2007 from cnoeabs.peaks (2.06, 0.91, 26.02 ppm; 3.67 A): 2 out of 8 assignments used, quality = 1.00: * HB2 LEU 62 + QD1 LEU 62 OK 100 100 - 100 - 3.2=100 HB2 GLN 127 + QD1 LEU 62 OK 64 100 - 64 - 10436=15, 3.0/10435=11...(17) HG3 PRO 81 - QD1 LEU 62 OK 28 92 - 30 - 1999/2.1=4, 2.3/2006=4...(13) HG2 PRO 117 - QD1 LEU 62 OK 14 98 - 14 - 1999/2.1=2, 1991/2.1=2...(6) HG3 PRO 113 - QD1 LEU 62 OK 12 96 - 13 - 1999/2.1=2, 1991/2.1=2...(6) HG3 PRO 117 - QD1 LEU 62 OK 12 87 - 13 - 1999/2.1=2, 1991/2.1=1...(5) HB VAL 118 - QD1 LEU 62 lone 9 100 - 9 - 1999/2.1=1 HB3 GLN 27 - QD1 LEU 62 lone 9 96 - 9 - 4061/10435=1, 1999/2.1=1 Peak 2008 from cnoeabs.peaks (1.14, 0.91, 26.02 ppm; 3.63 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 62 + QD1 LEU 62 OK 100 100 - 100 - 3.2=100 QG2 VAL 132 - QD1 LEU 62 OK 23 87 - 26 - 2000/2.1=6, 1975/3.2=6...(5) Peak 2009 from cnoeabs.peaks (1.65, 0.91, 26.02 ppm; 3.28 A): 1 out of 7 assignments used, quality = 1.00: * HG LEU 62 + QD1 LEU 62 OK 100 100 - 100 - 2.1=100 HG LEU 43 - QD1 LEU 62 OK 45 92 - 49 - ~10995=9, 2001/2.1=7...(14) HB2 LEU 123 - QD1 LEU 62 OK 42 99 - 43 - 2001/2.1=7, ~10348=6...(18) HD2 LYS 19 - QD1 LEU 62 lone 8 100 - 8 - 2001/2.1=1 HD3 LYS 19 - QD1 LEU 62 lone 8 100 - 8 - 2001/2.1=1 HB2 LEU 98 - QD1 LEU 62 lone 7 96 - 7 - 2001/2.1=2 HD2 LYS 95 - QD1 LEU 62 lone 1 87 - 1 - Peak 2010 from cnoeabs.peaks (0.68, 0.91, 26.02 ppm; 3.02 A): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 62 + QD1 LEU 62 OK 100 100 - 100 - 2.1=100 QD2 LEU 100 - QD1 LEU 62 OK 36 98 - 36 - 1994/2.1=7, 1986/3.2=5...(13) Peak 2011 from cnoeabs.peaks (0.91, 0.91, 26.02 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 62 + QD1 LEU 62 OK 100 100 - 100 Peak 2012 from cnoeabs.peaks (8.20, 0.91, 26.02 ppm; 6.63 A): 2 out of 2 assignments used, quality = 1.00: * H VAL 63 + QD1 LEU 62 OK 98 100 - 98 - ~9386=46, 6807/3.2=39...(23) H GLN 127 + QD1 LEU 62 OK 88 96 - 92 - ~11006=37, 4.0/10436=20...(21) Peak 2013 from cnoeabs.peaks (8.20, 3.37, 66.55 ppm; 4.20 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 63 + HA VAL 63 OK 100 100 - 100 - 2.9=100 H GLN 127 - HA VAL 63 OK 42 96 - 44 - 2033/3.2=9, 2027/3.2=8...(9) Peak 2014 from cnoeabs.peaks (3.37, 3.37, 66.55 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 63 + HA VAL 63 OK 100 100 - 100 Peak 2015 from cnoeabs.peaks (2.02, 3.37, 66.55 ppm; 4.21 A): 2 out of 7 assignments used, quality = 1.00: * HB VAL 63 + HA VAL 63 OK 100 100 - 100 - 3.0=100 HB3 MET 11 + HA VAL 63 OK 62 100 - 63 - 10651/3.2=33, ~9401=12...(9) HG2 PRO 58 - HA VAL 63 OK 15 92 - 16 - 6824/3.6=4, 1856/4.9=3...(6) HG2 ARG 90 - HA VAL 63 OK 13 100 - 13 - 2029/3.2=3, 6812/2.9=2...(5) HB2 GLN 134 - HA VAL 63 lone 6 100 - 6 - HB3 GLU 30 - HA VAL 63 lone 5 99 - 5 - HB2 GLU 44 - HA VAL 63 lone 5 99 - 5 - Peak 2016 from cnoeabs.peaks (0.78, 3.37, 66.55 ppm; 3.24 A): 2 out of 5 assignments used, quality = 1.00: * QG1 VAL 63 + HA VAL 63 OK 100 100 - 100 - 3.2=100 QD1 LEU 103 + HA VAL 63 OK 54 100 - 54 - 2.1/11720=15, ~11715=9...(13) QD1 ILE 37 - HA VAL 63 OK 20 96 - 21 - 1112/3.6=3, 6813/2.9=2...(10) QD1 ILE 32 - HA VAL 63 OK 18 87 - 21 - ~9396=8, 6813/2.9=3...(7) QD2 LEU 122 - HA VAL 63 OK 11 96 - 11 - 11388/10034=1...(7) Peak 2017 from cnoeabs.peaks (0.91, 3.37, 66.55 ppm; 3.32 A): 2 out of 5 assignments used, quality = 1.00: * QG2 VAL 63 + HA VAL 63 OK 100 100 - 100 - 3.2=100 QD1 LEU 62 + HA VAL 63 OK 69 98 - 70 - 2.1/9386=32, 6810/2.9=10...(17) QD1 LEU 49 - HA VAL 63 OK 15 99 - 15 - 1967/4.9=3, 6810/2.9=3...(7) QD2 LEU 48 - HA VAL 63 OK 13 99 - 12 - 3.1/9399=2, 2031/3.2=2...(6) QG1 VAL 20 - HA VAL 63 OK 12 98 - 12 - ~11019=2, 2025/3.0=2...(5) Peak 2018 from cnoeabs.peaks (7.96, 3.37, 66.55 ppm; 5.12 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 64 + HA VAL 63 OK 100 100 - 100 - 3.6=100 H ILE 37 - HA VAL 63 OK 26 73 - 35 - 2032/3.2=9, 2026/3.0=7...(8) Peak 2019 from cnoeabs.peaks (8.90, 3.37, 66.55 ppm; 5.20 A): 1 out of 2 assignments used, quality = 0.95: * H GLY 66 + HA VAL 63 OK 95 100 - 95 - 6848=50, 4.1/6860=41...(14) H ASN 59 - HA VAL 63 OK 25 73 - 34 - ~6800=10, 9384/9386=8...(8) Peak 2020 from cnoeabs.peaks (4.01, 2.02, 31.71 ppm; 4.10 A): 3 out of 6 assignments used, quality = 0.64: * HA SER 60 + HB VAL 63 OK 44 100 - 44 - 1902=21, 1901/4.0=16...(5) HA LEU 103 + HB VAL 63 OK 21 81 - 26 - 4.1/2024=7, 6818/4.5=4...(8) HB3 SER 99 + HB VAL 63 OK 18 96 - 18 - 11378/2.1=8, ~11379=4...(4) HB2 SER 38 - HB VAL 63 lone 4 92 - 4 - 6801/4.0=2, 6818/4.5=1 HA ARG 135 - HB VAL 63 lone 2 73 - 2 - HA LYS 95 - HB VAL 63 lone 1 57 - 2 - Peak 2021 from cnoeabs.peaks (8.20, 2.02, 31.71 ppm; 3.88 A): 1 out of 2 assignments used, quality = 0.97: * H VAL 63 + HB VAL 63 OK 97 100 - 97 - 4.0=92, 2033/2.1=27...(7) H GLN 127 - HB VAL 63 OK 28 96 - 30 - 2033/2.1=10, 2027/2.1=8...(4) Peak 2022 from cnoeabs.peaks (3.37, 2.02, 31.71 ppm; 4.56 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 63 + HB VAL 63 OK 100 100 - 100 - 3.0=100 Peak 2023 from cnoeabs.peaks (2.02, 2.02, 31.71 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB VAL 63 + HB VAL 63 OK 100 100 - 100 Peak 2024 from cnoeabs.peaks (0.78, 2.02, 31.71 ppm; 3.30 A): 2 out of 5 assignments used, quality = 1.00: * QG1 VAL 63 + HB VAL 63 OK 100 100 - 100 - 2.1=100 QD1 LEU 103 + HB VAL 63 OK 48 100 - 48 - ~11720=9, 2036/2.1=9...(12) QD1 ILE 37 - HB VAL 63 OK 18 96 - 19 - 2036/2.1=3, ~11015=3...(8) QD1 ILE 32 - HB VAL 63 OK 13 87 - 15 - 6813/4.0=2, 2016/3.0=2...(7) QD2 LEU 122 - HB VAL 63 lone 9 96 - 9 - 2036/2.1=2, 2016/3.0=1 Peak 2025 from cnoeabs.peaks (0.91, 2.02, 31.71 ppm; 3.41 A): 2 out of 5 assignments used, quality = 1.00: * QG2 VAL 63 + HB VAL 63 OK 100 100 - 100 - 2.1=100 QD1 LEU 62 + HB VAL 63 OK 54 98 - 56 - ~9386=13, ~11012=9...(12) QG1 VAL 20 - HB VAL 63 OK 14 98 - 14 - ~11019=3, 2031/2.1=3...(7) QD2 LEU 48 - HB VAL 63 OK 11 99 - 11 - 2031/2.1=3, 2017/3.0=2...(4) QD1 LEU 49 - HB VAL 63 lone 10 99 - 10 - 2031/2.1=2, 6810/4.0=2 Peak 2026 from cnoeabs.peaks (7.96, 2.02, 31.71 ppm; 4.09 A): 2 out of 2 assignments used, quality = 0.93: * H ASP 64 + HB VAL 63 OK 92 100 - 92 - 4.5=76, 2032/2.1=28...(8) H ILE 37 + HB VAL 63 OK 18 73 - 24 - 2032/2.1=7, 2038/2.1=5...(6) Peak 2027 from cnoeabs.peaks (8.20, 0.78, 21.57 ppm; 3.97 A): 1 out of 2 assignments used, quality = 0.99: * H VAL 63 + QG1 VAL 63 OK 99 100 - 99 - 4.0=98, 2033/2.1=28...(10) H GLN 127 - QG1 VAL 63 OK 33 96 - 34 - 2033/2.1=11, 2021/2.1=8...(7) Peak 2028 from cnoeabs.peaks (3.37, 0.78, 21.57 ppm; 3.41 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 63 + QG1 VAL 63 OK 100 100 - 100 - 3.2=100 Peak 2029 from cnoeabs.peaks (2.02, 0.78, 21.57 ppm; 3.16 A): 2 out of 7 assignments used, quality = 1.00: * HB VAL 63 + QG1 VAL 63 OK 100 100 - 100 - 2.1=100 HB3 MET 11 + QG1 VAL 63 OK 51 100 - 52 - 10651/2.1=29...(9) HG2 ARG 90 - QG1 VAL 63 OK 17 100 - 17 - 4.6/9408=5, 3.8/9899=4 HG2 PRO 58 - QG1 VAL 63 lone 7 92 - 8 - 6824/4.3=2, 2035/2.1=1 HB3 GLU 30 - QG1 VAL 63 lone 5 99 - 4 - HB2 GLN 134 - QG1 VAL 63 lone 4 100 - 4 - HB2 GLU 44 - QG1 VAL 63 lone 3 99 - 3 - Peak 2030 from cnoeabs.peaks (0.78, 0.78, 21.57 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 63 + QG1 VAL 63 OK 100 100 - 100 Peak 2031 from cnoeabs.peaks (0.91, 0.78, 21.57 ppm; 2.65 A): 1 out of 5 assignments used, quality = 1.00: * QG2 VAL 63 + QG1 VAL 63 OK 100 100 - 100 - 2.1=100 QD1 LEU 62 - QG1 VAL 63 OK 37 98 - 38 - ~9386=6, 2025/2.1=6...(11) QD2 LEU 48 - QG1 VAL 63 OK 10 99 - 10 - 10957/9431=3, 2025/2.1=1 QG1 VAL 20 - QG1 VAL 63 poor 10 98 - 10 - 3.2/11019=3, 2025/2.1=1 QD1 LEU 49 - QG1 VAL 63 lone 8 99 - 8 - 6810/4.0=1, 2017/3.2=1 Peak 2032 from cnoeabs.peaks (7.96, 0.78, 21.57 ppm; 4.08 A): 1 out of 2 assignments used, quality = 0.96: * H ASP 64 + QG1 VAL 63 OK 96 100 - 96 - 4.3=84, 2026/2.1=30...(7) H ILE 37 - QG1 VAL 63 OK 25 73 - 34 - 2026/2.1=6, 2038/2.1=5...(11) Peak 2033 from cnoeabs.peaks (8.20, 0.91, 22.96 ppm; 3.65 A): 1 out of 2 assignments used, quality = 0.98: * H VAL 63 + QG2 VAL 63 OK 98 100 - 98 - 3.7=93, 2021/2.1=24...(15) H GLN 127 - QG2 VAL 63 OK 37 96 - 39 - 2027/2.1=8, 2021/2.1=7...(11) Peak 2034 from cnoeabs.peaks (3.37, 0.91, 22.96 ppm; 3.46 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 63 + QG2 VAL 63 OK 100 100 - 100 - 3.2=100 Peak 2035 from cnoeabs.peaks (2.02, 0.91, 22.96 ppm; 3.43 A): 2 out of 7 assignments used, quality = 1.00: * HB VAL 63 + QG2 VAL 63 OK 100 100 - 100 - 2.1=100 HB3 MET 11 + QG2 VAL 63 OK 53 100 - 54 - 10651=23, 2029/2.1=10...(10) HG2 ARG 90 - QG2 VAL 63 lone 10 100 - 10 - 2029/2.1=3, 2015/3.2=1...(4) HG2 PRO 58 - QG2 VAL 63 lone 8 92 - 8 - 6824/4.4=2, 2029/2.1=1...(4) HB2 GLN 134 - QG2 VAL 63 lone 4 100 - 4 - HB3 GLU 30 - QG2 VAL 63 lone 4 99 - 4 - HB2 GLU 44 - QG2 VAL 63 lone 3 99 - 3 - Peak 2036 from cnoeabs.peaks (0.78, 0.91, 22.96 ppm; 2.75 A): 1 out of 5 assignments used, quality = 1.00: * QG1 VAL 63 + QG2 VAL 63 OK 100 100 - 100 - 2.1=100 QD1 LEU 103 - QG2 VAL 63 OK 39 100 - 39 - 2.1/11722=10, 2024/2.1=6...(10) QD1 ILE 37 - QG2 VAL 63 OK 14 96 - 14 - 2024/2.1=2, ~11015=2...(6) QD1 ILE 32 - QG2 VAL 63 poor 9 87 - 10 - 6813/3.7=2, 2024/2.1=2...(4) QD2 LEU 122 - QG2 VAL 63 lone 7 96 - 7 - 2024/2.1=1 Peak 2037 from cnoeabs.peaks (0.91, 0.91, 22.96 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 63 + QG2 VAL 63 OK 100 100 - 100 Peak 2038 from cnoeabs.peaks (7.96, 0.91, 22.96 ppm; 4.56 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 64 + QG2 VAL 63 OK 100 100 - 100 - 4.4=100 H ILE 37 - QG2 VAL 63 OK 21 73 - 29 - 2032/2.1=9, 2026/2.1=7...(6) Peak 2039 from cnoeabs.peaks (7.96, 4.46, 57.70 ppm; 4.14 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 64 + HA ASP 64 OK 100 100 - 100 - 2.9=100 H ILE 37 - HA ASP 64 OK 13 73 - 18 - 2048/3.0=4, 2018/4.9=3...(7) Peak 2040 from cnoeabs.peaks (4.46, 4.46, 57.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASP 64 + HA ASP 64 OK 100 100 - 100 Peak 2041 from cnoeabs.peaks (2.75, 4.46, 57.70 ppm; 3.57 A): 1 out of 4 assignments used, quality = 1.00: * HB2 ASP 64 + HA ASP 64 OK 100 100 - 100 - 3.0=100 HB3 ASP 35 - HA ASP 64 OK 16 100 - 16 - 6839/3.6=5, 6828/2.9=3...(6) HB2 CYS 73 - HA ASP 64 lone 5 98 - 5 - ~2333=1, 2056/3.0=1 HB2 TYR 76 - HA ASP 64 lone 3 73 - 4 - Peak 2042 from cnoeabs.peaks (2.80, 4.46, 57.70 ppm; 3.90 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ASP 64 + HA ASP 64 OK 100 100 - 100 - 3.0=100 HB3 ASN 120 - HA ASP 64 lone 9 100 - 9 - 6829/2.9=2, 6840/3.6=2...(4) HB2 ASN 120 - HA ASP 64 lone 9 100 - 9 - 6829/2.9=2, 6840/3.6=2...(4) HB2 ASN 121 - HA ASP 64 lone 6 98 - 6 - 6829/2.9=1, 6840/3.6=1 Peak 2043 from cnoeabs.peaks (8.38, 4.46, 57.70 ppm; 5.37 A): 1 out of 5 assignments used, quality = 1.00: * H THR 65 + HA ASP 64 OK 100 100 - 100 - 3.6=100 H ASP 35 - HA ASP 64 OK 27 87 - 31 - 2052/3.0=10, 2058/3.0=7...(6) H HIS 3 - HA ASP 64 lone 9 100 - 9 - 6830/2.9=2, 2058/3.0=2...(4) H GLN 27 - HA ASP 64 lone 4 73 - 6 - 6830/2.9=1 H LYS 26 - HA ASP 64 lone 2 57 - 4 - Peak 2044 from cnoeabs.peaks (8.65, 4.46, 57.70 ppm; 4.51 A): 3 out of 4 assignments used, quality = 0.86: * H HIS 67 + HA ASP 64 OK 81 100 - 81 - 6860/4.9=27, 3.8/2046=27...(8) H SER 50 + HA ASP 64 OK 15 98 - 15 - 6845/3.6=8, 2111/2046=2...(4) H SER 60 + HA ASP 64 OK 10 57 - 18 - ~6818=10, 4.6/6709=3...(4) H HIS 8 - HA ASP 64 lone 4 100 - 4 - Peak 2045 from cnoeabs.peaks (3.34, 4.46, 57.70 ppm; 4.39 A): 1 out of 3 assignments used, quality = 0.71: * HB2 HIS 67 + HA ASP 64 OK 71 100 - 71 - 1.8/2046=37...(6) HB3 TYR 72 - HA ASP 64 lone 9 99 - 9 - 2113/2046=3, 6868/2044=2 HB3 PHE 89 - HA ASP 64 lone 1 65 - 1 - Peak 2046 from cnoeabs.peaks (3.41, 4.46, 57.70 ppm; 4.26 A): 1 out of 2 assignments used, quality = 0.68: * HB3 HIS 67 + HA ASP 64 OK 68 100 - 68 - 1.8/2045=33...(6) HA LYS 39 - HA ASP 64 lone 6 99 - 6 - 2106/2045=2, 6869/2044=2 Peak 2047 from cnoeabs.peaks (4.28, 2.75, 39.83 ppm; 4.23 A): 3 out of 15 assignments used, quality = 0.81: * HA GLN 61 + HB2 ASP 64 OK 73 100 - 73 - 1923=44, 1924/1.8=36...(5) HA LYS 36 + HB2 ASP 64 OK 16 87 - 18 - 3.0/6390=6, 2053/1.8=4...(5) HA ALA 109 + HB2 ASP 64 OK 15 96 - 16 - ~11794=7, 2053/1.8=4...(4) HA LEU 22 - HB2 ASP 64 poor 10 96 - 10 - 4.0/9414=4, 6833/4.6=2...(4) HA SER 74 - HB2 ASP 64 lone 4 57 - 6 - 2.9/7009=2, 6833/4.6=2 HA LYS 31 - HB2 ASP 64 lone 3 96 - 4 - HA ARG 23 - HB2 ASP 64 lone 3 92 - 3 - HA ALA 16 - HB2 ASP 64 lone 3 92 - 3 - HA ALA 108 - HB2 ASP 64 lone 3 96 - 3 - HA ALA 110 - HB2 ASP 64 lone 2 98 - 2 - HA ALA 15 - HB2 ASP 64 lone 2 96 - 2 - HA ALA 12 - HB2 ASP 64 lone 2 96 - 2 - HB THR 115 - HB2 ASP 64 lone 2 81 - 2 - HA THR 25 - HB2 ASP 64 lone 1 57 - 2 - HA ALA 21 - HB2 ASP 64 lone 1 65 - 1 - Peak 2048 from cnoeabs.peaks (7.96, 2.75, 39.83 ppm; 3.62 A): 2 out of 2 assignments used, quality = 0.92: * H ASP 64 + HB2 ASP 64 OK 91 100 - 91 - 3.9=82, 6829/1.8=28...(5) H ILE 37 + HB2 ASP 64 OK 11 73 - 15 - 4.4/6390=3, 2054/1.8=3...(6) Peak 2049 from cnoeabs.peaks (4.46, 2.75, 39.83 ppm; 3.84 A): 1 out of 4 assignments used, quality = 1.00: * HA ASP 64 + HB2 ASP 64 OK 100 100 - 100 - 3.0=100 HA PRO 58 - HB2 ASP 64 OK 15 96 - 16 - 2055/1.8=4, 6827/3.9=3...(5) HA SER 106 - HB2 ASP 64 OK 12 100 - 12 - 2055/1.8=3, 6838/4.6=3...(4) HB THR 54 - HB2 ASP 64 lone 3 92 - 3 - Peak 2050 from cnoeabs.peaks (2.75, 2.75, 39.83 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 64 + HB2 ASP 64 OK 100 100 - 100 Peak 2051 from cnoeabs.peaks (2.80, 2.75, 39.83 ppm; 2.88 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ASP 64 + HB2 ASP 64 OK 100 100 - 100 - 1.8=100 HB3 ASN 120 - HB2 ASP 64 lone 4 100 - 4 - 2042/3.0=1 HB2 ASN 120 - HB2 ASP 64 lone 4 100 - 4 - 2042/3.0=1 HB2 ASN 121 - HB2 ASP 64 lone 3 98 - 3 - Peak 2052 from cnoeabs.peaks (8.38, 2.75, 39.83 ppm; 3.47 A): 2 out of 5 assignments used, quality = 0.77: * H THR 65 + HB2 ASP 64 OK 71 100 - 71 - 4.6=43, 6840/1.8=30...(4) H ASP 35 + HB2 ASP 64 OK 19 87 - 22 - 6384=7, 2058/1.8=4...(7) H HIS 3 - HB2 ASP 64 lone 3 100 - 3 - 2058/1.8=1 H GLN 27 - HB2 ASP 64 lone 2 73 - 2 - H LYS 26 - HB2 ASP 64 lone 1 57 - 1 - Peak 2053 from cnoeabs.peaks (4.28, 2.80, 39.83 ppm; 4.49 A): 3 out of 15 assignments used, quality = 0.82: * HA GLN 61 + HB3 ASP 64 OK 74 100 - 74 - 1924=43, 1923/1.8=38...(4) HA ALA 109 + HB3 ASP 64 OK 16 96 - 17 - ~11794=8, 2047/1.8=4...(4) HA LYS 36 + HB3 ASP 64 OK 16 87 - 18 - 2047/1.8=5, ~6390=5...(5) HA LEU 22 - HB3 ASP 64 lone 7 96 - 7 - 2047/1.8=3, 6833/4.6=2 HA LYS 31 - HB3 ASP 64 lone 3 96 - 4 - 6819/3.9=1, 2047/1.8=1 HA SER 74 - HB3 ASP 64 lone 4 57 - 6 - ~7009=2, 6833/4.6=2, 2047/1.8=1 HA ALA 16 - HB3 ASP 64 lone 3 92 - 3 - HA ALA 108 - HB3 ASP 64 lone 3 96 - 3 - HA ARG 23 - HB3 ASP 64 lone 3 92 - 3 - HA ALA 110 - HB3 ASP 64 lone 2 98 - 2 - HA ALA 15 - HB3 ASP 64 lone 2 96 - 2 - HA ALA 12 - HB3 ASP 64 lone 2 96 - 2 - HB THR 115 - HB3 ASP 64 lone 2 81 - 2 - HA ALA 21 - HB3 ASP 64 lone 1 65 - 2 - HA THR 25 - HB3 ASP 64 lone 1 57 - 2 - Peak 2054 from cnoeabs.peaks (7.96, 2.80, 39.83 ppm; 3.95 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 64 + HB3 ASP 64 OK 100 100 - 100 - 3.9=100 H ILE 37 - HB3 ASP 64 poor 10 73 - 13 - 2048/1.8=5, 2039/3.0=3...(4) Peak 2055 from cnoeabs.peaks (4.46, 2.80, 39.83 ppm; 3.99 A): 1 out of 4 assignments used, quality = 1.00: * HA ASP 64 + HB3 ASP 64 OK 100 100 - 100 - 3.0=100 HA PRO 58 - HB3 ASP 64 OK 16 96 - 17 - 2049/1.8=5, 6827/3.9=4...(5) HA SER 106 - HB3 ASP 64 OK 12 100 - 12 - 2049/1.8=4, 6838/4.6=3...(5) HB THR 54 - HB3 ASP 64 lone 3 92 - 3 - Peak 2056 from cnoeabs.peaks (2.75, 2.80, 39.83 ppm; 2.95 A): 1 out of 4 assignments used, quality = 1.00: * HB2 ASP 64 + HB3 ASP 64 OK 100 100 - 100 - 1.8=100 HB3 ASP 35 - HB3 ASP 64 OK 11 100 - 11 - 2041/3.0=2, 6839/4.6=2...(6) HB2 CYS 73 - HB3 ASP 64 lone 4 98 - 4 - ~2333=1 HB2 TYR 76 - HB3 ASP 64 lone 2 73 - 3 - Peak 2057 from cnoeabs.peaks (2.80, 2.80, 39.83 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 64 + HB3 ASP 64 OK 100 100 - 100 Peak 2058 from cnoeabs.peaks (8.38, 2.80, 39.83 ppm; 4.15 A): 2 out of 5 assignments used, quality = 0.91: * H THR 65 + HB3 ASP 64 OK 89 100 - 89 - 4.6=74, 6839/1.8=38...(4) H ASP 35 + HB3 ASP 64 OK 19 87 - 21 - 2052/1.8=9, 2043/3.0=4...(5) H HIS 3 - HB3 ASP 64 lone 5 100 - 4 - 2052/1.8=2, 2043/3.0=1 H GLN 27 - HB3 ASP 64 lone 2 73 - 3 - H LYS 26 - HB3 ASP 64 lone 1 57 - 2 - Peak 2059 from cnoeabs.peaks (8.38, 3.97, 66.53 ppm; 4.60 A): 1 out of 5 assignments used, quality = 1.00: * H THR 65 + HA THR 65 OK 100 100 - 100 - 2.9=100 H ASP 35 - HA THR 65 poor 10 87 - 11 - 2043/4.9=4, ~958=2...(5) H HIS 3 - HA THR 65 lone 7 100 - 7 - 2068/3.0=2, 2073/3.2=2...(4) H GLN 27 - HA THR 65 lone 4 73 - 5 - H LYS 26 - HA THR 65 lone 2 57 - 3 - Peak 2060 from cnoeabs.peaks (3.97, 3.97, 66.53 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA THR 65 + HA THR 65 OK 100 100 - 100 Peak 2061 from cnoeabs.peaks (4.07, 3.97, 66.53 ppm; 4.17 A): 1 out of 3 assignments used, quality = 1.00: * HB THR 65 + HA THR 65 OK 100 100 - 100 - 3.0=100 HB2 SER 74 - HA THR 65 OK 18 99 - 18 - 6842/2.9=5, 6853/3.6=3...(6) HB3 SER 74 - HA THR 65 OK 18 98 - 18 - 6842/2.9=5, 6853/3.6=3...(6) Peak 2062 from cnoeabs.peaks (1.23, 3.97, 66.53 ppm; 3.61 A): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 65 + HA THR 65 OK 100 100 - 100 - 3.2=100 Peak 2063 from cnoeabs.peaks (8.90, 3.97, 66.53 ppm; 5.98 A): 1 out of 2 assignments used, quality = 1.00: * H GLY 66 + HA THR 65 OK 100 100 - 100 - 3.6=100 H ASN 59 - HA THR 65 OK 18 73 - 24 - 6844/2.9=5, 2077/3.2=4...(8) Peak 2064 from cnoeabs.peaks (7.86, 3.97, 66.53 ppm; 5.13 A): 1 out of 2 assignments used, quality = 0.89: * H GLN 68 + HA THR 65 OK 89 100 - 89 - 3.7/2066=37, 6876=26...(10) H ALA 88 - HA THR 65 poor 9 87 - 11 - 2141/2066=5, 2131/2065=3 Peak 2065 from cnoeabs.peaks (2.22, 3.97, 66.53 ppm; 3.93 A): 2 out of 6 assignments used, quality = 0.78: * HB2 GLN 68 + HA THR 65 OK 70 100 - 70 - 1.8/2066=35, 2130=22...(6) HB3 GLN 127 + HA THR 65 OK 25 81 - 32 - 1.8/4041=5, 4051=4...(13) HB3 GLN 104 - HA THR 65 lone 8 98 - 8 - ~9443=3 HB3 GLU 128 - HA THR 65 lone 8 87 - 9 - 3.6/7843=4, 4.5/7861=1 HB3 GLU 97 - HA THR 65 lone 3 98 - 3 - HG2 GLU 91 - HA THR 65 lone 2 73 - 3 - Peak 2066 from cnoeabs.peaks (2.18, 3.97, 66.53 ppm; 4.14 A): 1 out of 1 assignment used, quality = 0.68: * HB3 GLN 68 + HA THR 65 OK 68 100 - 68 - 2140=25, 1.8/2065=24...(6) Peak 2067 from cnoeabs.peaks (3.85, 4.07, 67.84 ppm; 5.22 A): 2 out of 6 assignments used, quality = 0.80: * HA LEU 62 + HB THR 65 OK 77 100 - 77 - 10997/2.1=41, 1970=34...(5) HA LEU 123 + HB THR 65 OK 12 99 - 12 - 6847/4.5=5, 6834/4.0=4, ~9442=2 HB2 SER 50 - HB THR 65 lone 5 73 - 7 - 6834/4.0=3, 6847/4.5=2 HB3 SER 33 - HB THR 65 lone 4 87 - 5 - 6834/4.0=1, 6847/4.5=1 HA GLU 40 - HB THR 65 lone 4 96 - 4 - 6834/4.0=1 HD2 PRO 81 - HB THR 65 lone 3 87 - 3 - 6834/4.0=1 Peak 2068 from cnoeabs.peaks (8.38, 4.07, 67.84 ppm; 4.69 A): 1 out of 5 assignments used, quality = 1.00: * H THR 65 + HB THR 65 OK 100 100 - 100 - 4.0=100 H HIS 3 - HB THR 65 lone 6 100 - 6 - 2073/2.1=2, 2059/3.0=2 H ASP 35 - HB THR 65 lone 6 87 - 7 - 2059/3.0=3, 2073/2.1=2 H GLN 27 - HB THR 65 lone 3 73 - 4 - 2059/3.0=1 H LYS 26 - HB THR 65 lone 1 57 - 2 - Peak 2069 from cnoeabs.peaks (3.97, 4.07, 67.84 ppm; 4.16 A): 1 out of 9 assignments used, quality = 1.00: * HA THR 65 + HB THR 65 OK 100 100 - 100 - 3.0=100 HB2 SER 106 - HB THR 65 OK 31 96 - 33 - 4.0/11781=19, 2074/2.1=4...(9) HB3 SER 106 - HB THR 65 OK 23 73 - 31 - 4.0/11781=19, 2074/2.1=3...(9) HA GLN 127 - HB THR 65 OK 19 100 - 19 - 2074/2.1=5, 6841/4.0=3...(7) HA LEU 100 - HB THR 65 lone 7 65 - 10 - 6852/4.5=3, 2074/2.1=2 HB3 SER 94 - HB THR 65 lone 3 99 - 3 - HA3 GLY 17 - HB THR 65 lone 2 65 - 3 - HA2 GLY 17 - HB THR 65 lone 2 65 - 3 - HA GLU 91 - HB THR 65 lone 1 57 - 2 - Peak 2070 from cnoeabs.peaks (4.07, 4.07, 67.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 65 + HB THR 65 OK 100 100 - 100 Peak 2071 from cnoeabs.peaks (1.23, 4.07, 67.84 ppm; 3.93 A): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 65 + HB THR 65 OK 100 100 - 100 - 2.1=100 Peak 2072 from cnoeabs.peaks (8.90, 4.07, 67.84 ppm; 5.13 A): 1 out of 2 assignments used, quality = 1.00: * H GLY 66 + HB THR 65 OK 100 100 - 100 - 4.5=100 H ASN 59 - HB THR 65 poor 10 73 - 13 - 2077/2.1=4, 6844/4.0=4 Peak 2073 from cnoeabs.peaks (8.38, 1.23, 22.77 ppm; 4.14 A): 1 out of 5 assignments used, quality = 1.00: * H THR 65 + QG2 THR 65 OK 100 100 - 100 - 4.0=100 H HIS 3 - QG2 THR 65 lone 5 100 - 5 - 2068/2.1=2, 2059/3.2=2 H ASP 35 - QG2 THR 65 lone 5 87 - 6 - 2059/3.2=2, 2068/2.1=2 H GLN 27 - QG2 THR 65 lone 3 73 - 3 - H LYS 26 - QG2 THR 65 lone 1 57 - 2 - Peak 2074 from cnoeabs.peaks (3.97, 1.23, 22.77 ppm; 3.27 A): 1 out of 9 assignments used, quality = 1.00: * HA THR 65 + QG2 THR 65 OK 100 100 - 100 - 3.2=100 HA GLN 127 - QG2 THR 65 OK 18 100 - 18 - 3.6/11029=6, 2069/2.1=2...(7) HB2 SER 106 - QG2 THR 65 OK 12 96 - 13 - 2069/2.1=4, ~2069=2...(5) HB3 SER 106 - QG2 THR 65 poor 9 73 - 13 - 2069/2.1=3, ~2069=2...(4) HA LEU 100 - QG2 THR 65 lone 6 65 - 10 - 4.1/9432=4, 6852/4.4=2 HB3 SER 94 - QG2 THR 65 lone 3 99 - 3 - HA3 GLY 17 - QG2 THR 65 lone 1 65 - 2 - HA2 GLY 17 - QG2 THR 65 lone 1 65 - 2 - HA GLU 91 - QG2 THR 65 lone 1 57 - 1 - Peak 2075 from cnoeabs.peaks (4.07, 1.23, 22.77 ppm; 3.21 A): 1 out of 3 assignments used, quality = 1.00: * HB THR 65 + QG2 THR 65 OK 100 100 - 100 - 2.1=100 HB2 SER 74 - QG2 THR 65 lone 10 99 - 10 - 2061/3.2=2, 6842/4.0=2...(4) HB3 SER 74 - QG2 THR 65 lone 10 98 - 10 - 2061/3.2=2, 6842/4.0=2...(4) Peak 2076 from cnoeabs.peaks (1.23, 1.23, 22.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 65 + QG2 THR 65 OK 100 100 - 100 Peak 2077 from cnoeabs.peaks (8.90, 1.23, 22.77 ppm; 4.54 A): 1 out of 2 assignments used, quality = 1.00: * H GLY 66 + QG2 THR 65 OK 100 100 - 100 - 4.4=100 H ASN 59 - QG2 THR 65 OK 11 73 - 15 - 6844/4.0=3, 2063/3.2=3...(6) Peak 2078 from cnoeabs.peaks (8.90, 3.63, 47.55 ppm; 4.88 A): 2 out of 4 assignments used, quality = 1.00: * H GLY 66 + HA2 GLY 66 OK 100 100 - 100 - 2.9=100 H GLY 66 + HA3 GLY 66 OK 57 57 - 100 - 2.9=100 H ASN 59 - HA2 GLY 66 OK 15 73 - 20 - 6864/3.6=7, 2063/4.9=3...(6) H ASN 59 - HA3 GLY 66 poor 5 35 - 15 - 6864/3.6=7, 2063/4.9=3, ~1872=2 Peak 2079 from cnoeabs.peaks (3.63, 3.63, 47.55 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA2 GLY 66 + HA2 GLY 66 OK 100 100 - 100 HA3 GLY 66 + HA3 GLY 66 OK 48 48 - 100 Peak 2080 from cnoeabs.peaks (3.63, 3.63, 47.55 ppm; diagonal): 2 out of 2 assignments used, quality = 0.97: HA2 GLY 66 + HA2 GLY 66 OK 92 92 - 100 HA3 GLY 66 + HA3 GLY 66 OK 57 57 - 100 Reference assignment not found: HA3 GLY 66 - HA2 GLY 66 Peak 2081 from cnoeabs.peaks (8.65, 3.63, 47.55 ppm; 6.80 A): 2 out of 8 assignments used, quality = 1.00: * H HIS 67 + HA2 GLY 66 OK 100 100 - 100 - 3.6=100 H HIS 67 + HA3 GLY 66 OK 57 57 - 100 - 3.6=100 H SER 50 - HA2 GLY 66 OK 32 98 - 33 - 2092/4.9=12, 6857/2.9=11...(5) H SER 50 - HA3 GLY 66 OK 18 54 - 33 - 2092/4.9=12, 6857/2.9=11...(5) H HIS 8 - HA2 GLY 66 lone 8 100 - 8 - 2092/4.9=2, 6857/2.9=1 H SER 60 - HA2 GLY 66 poor 6 57 - 10 - 4.6/2078=4, 6857/2.9=2 H HIS 8 - HA3 GLY 66 lone 5 57 - 8 - 2092/4.9=2, 6857/2.9=1 H SER 60 - HA3 GLY 66 lone 2 26 - 7 - 6857/2.9=2, 4.6/2078=1 Peak 2085 from cnoeabs.peaks (8.90, 3.63, 47.55 ppm; 4.88 A): 2 out of 4 assignments used, quality = 1.00: * H GLY 66 + HA3 GLY 66 OK 100 100 - 100 - 2.9=100 H GLY 66 + HA2 GLY 66 OK 57 57 - 100 - 2.9=100 H ASN 59 - HA3 GLY 66 OK 13 73 - 17 - 6864/3.6=7, 2063/4.9=3...(5) H ASN 59 - HA2 GLY 66 poor 5 35 - 15 - 6864/3.6=7, 2063/4.9=3, ~1872=2 Peak 2086 from cnoeabs.peaks (3.63, 3.63, 47.55 ppm; diagonal): 2 out of 2 assignments used, quality = 0.97: HA3 GLY 66 + HA3 GLY 66 OK 92 92 - 100 HA2 GLY 66 + HA2 GLY 66 OK 57 57 - 100 Reference assignment not found: HA2 GLY 66 - HA3 GLY 66 Peak 2087 from cnoeabs.peaks (3.63, 3.63, 47.55 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA3 GLY 66 + HA3 GLY 66 OK 100 100 - 100 HA2 GLY 66 + HA2 GLY 66 OK 48 48 - 100 Peak 2088 from cnoeabs.peaks (8.65, 3.63, 47.55 ppm; 6.80 A): 2 out of 8 assignments used, quality = 1.00: * H HIS 67 + HA3 GLY 66 OK 100 100 - 100 - 3.6=100 H HIS 67 + HA2 GLY 66 OK 57 57 - 100 - 3.6=100 H SER 50 - HA3 GLY 66 OK 34 98 - 35 - 2092/4.9=12, 6857/2.9=11...(6) H SER 50 - HA2 GLY 66 OK 18 54 - 33 - 2092/4.9=12, 6857/2.9=11...(5) H HIS 8 - HA3 GLY 66 lone 8 100 - 8 - 2092/4.9=2, 6857/2.9=1 H SER 60 - HA3 GLY 66 lone 5 57 - 9 - 4.6/2085=3, 6857/2.9=2 H HIS 8 - HA2 GLY 66 lone 5 57 - 8 - 2092/4.9=2, 6857/2.9=1 H SER 60 - HA2 GLY 66 lone 2 26 - 8 - 6857/2.9=2, 4.6/2085=1 Peak 2092 from cnoeabs.peaks (8.65, 4.22, 58.98 ppm; 4.31 A): 1 out of 4 assignments used, quality = 1.00: * H HIS 67 + HA HIS 67 OK 100 100 - 100 - 2.9=100 H SER 50 - HA HIS 67 OK 41 98 - 42 - 6880/3.6=8, 2103/3.0=6...(14) H HIS 8 - HA HIS 67 lone 8 100 - 7 - 2111/3.0=2, 2103/3.0=2 H SER 60 - HA HIS 67 lone 2 57 - 4 - Peak 2093 from cnoeabs.peaks (4.22, 4.22, 58.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA HIS 67 + HA HIS 67 OK 100 100 - 100 Peak 2094 from cnoeabs.peaks (3.34, 4.22, 58.98 ppm; 3.94 A): 2 out of 3 assignments used, quality = 1.00: * HB2 HIS 67 + HA HIS 67 OK 100 100 - 100 - 3.0=100 HB3 TYR 72 + HA HIS 67 OK 45 99 - 46 - 2.7/2096=9, 2113/3.0=8...(11) HB3 PHE 89 - HA HIS 67 lone 3 65 - 5 - Peak 2095 from cnoeabs.peaks (3.41, 4.22, 58.98 ppm; 4.13 A): 2 out of 2 assignments used, quality = 1.00: * HB3 HIS 67 + HA HIS 67 OK 100 100 - 100 - 3.0=100 HA LYS 39 + HA HIS 67 OK 46 99 - 46 - 3.6/11034=15, 2106/3.0=7...(10) Peak 2096 from cnoeabs.peaks (7.15, 4.22, 58.98 ppm; 4.24 A): 2 out of 2 assignments used, quality = 0.88: * HD2 HIS 67 + HA HIS 67 OK 79 100 - 79 - 4.7=72, 6870/2.9=19...(6) QD TYR 72 + HA HIS 67 OK 40 96 - 42 - 2.7/2094=11, 6870/2.9=9...(10) Peak 2098 from cnoeabs.peaks (7.86, 4.22, 58.98 ppm; 4.33 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 68 + HA HIS 67 OK 100 100 - 100 - 3.6=100 H ALA 88 - HA HIS 67 OK 16 87 - 18 - 2118/4.9=6, 6872/2.9=3...(7) Peak 2099 from cnoeabs.peaks (8.46, 4.22, 58.98 ppm; 4.37 A): 2 out of 3 assignments used, quality = 0.89: * H LEU 70 + HA HIS 67 OK 88 100 - 88 - 11100/2.9=28, 6936=27...(15) H VAL 132 + HA HIS 67 OK 14 81 - 17 - 3.3/11034=7, 2260/9462=2...(5) H ASP 47 - HA HIS 67 lone 4 73 - 6 - ~1468=2, 6894/3.6=1, 6931/6916=1 Peak 2100 from cnoeabs.peaks (1.71, 4.22, 58.98 ppm; 3.77 A): 3 out of 6 assignments used, quality = 0.89: * HB2 LEU 70 + HA HIS 67 OK 61 100 - 61 - 3.2/2099=19, 3.2/9462=17...(9) HB3 LEU 70 + HA HIS 67 OK 60 98 - 61 - 3.2/2099=19, 3.2/9462=17...(9) HD3 LYS 39 + HA HIS 67 OK 28 99 - 29 - 1205/3.0=7, ~1194=5...(9) HG LEU 98 - HA HIS 67 lone 5 99 - 5 - 6947/2099=1, 2262/9462=1 HG2 ARG 135 - HA HIS 67 lone 4 100 - 4 - 6455/11034=1 HG LEU 48 - HA HIS 67 lone 2 99 - 2 - Peak 2101 from cnoeabs.peaks (1.71, 4.22, 58.98 ppm; 3.77 A): 3 out of 6 assignments used, quality = 0.89: * HB3 LEU 70 + HA HIS 67 OK 62 100 - 62 - 3.2/2099=19, 3.2/9462=17...(10) HB2 LEU 70 + HA HIS 67 OK 60 98 - 61 - 3.2/2099=19, 3.2/9462=17...(9) HD3 LYS 39 + HA HIS 67 OK 29 100 - 29 - 1205/3.0=7, ~1194=5...(9) HG LEU 98 - HA HIS 67 lone 4 92 - 5 - 6947/2099=1 HG2 ARG 135 - HA HIS 67 lone 3 96 - 4 - 6455/11034=1 HG LEU 48 - HA HIS 67 lone 3 100 - 3 - Peak 2102 from cnoeabs.peaks (4.46, 3.34, 27.78 ppm; 5.27 A): 4 out of 4 assignments used, quality = 0.94: * HA ASP 64 + HB2 HIS 67 OK 87 100 - 87 - 2046/1.8=45, 2045=44...(6) HA PRO 58 + HB2 HIS 67 OK 32 96 - 34 - 9334/3.8=21, 2110/1.8=9 HB THR 54 + HB2 HIS 67 OK 23 92 - 25 - 1691/3.0=11, 2110/1.8=6...(5) HA SER 106 + HB2 HIS 67 OK 10 100 - 10 - 6875/4.4=4, 2110/1.8=3 Peak 2103 from cnoeabs.peaks (8.65, 3.34, 27.78 ppm; 4.13 A): 1 out of 4 assignments used, quality = 1.00: * H HIS 67 + HB2 HIS 67 OK 100 100 - 100 - 3.8=100 H SER 50 - HB2 HIS 67 OK 26 98 - 27 - 2092/3.0=8, 2111/1.8=7...(7) H HIS 8 - HB2 HIS 67 lone 7 100 - 6 - 2111/1.8=2, 2092/3.0=2 H SER 60 - HB2 HIS 67 lone 2 57 - 4 - Peak 2104 from cnoeabs.peaks (4.22, 3.34, 27.78 ppm; 4.31 A): 1 out of 6 assignments used, quality = 1.00: * HA HIS 67 + HB2 HIS 67 OK 100 100 - 100 - 3.0=100 HA SER 51 - HB2 HIS 67 OK 22 100 - 22 - 2112/1.8=5, 6867/3.8=5...(8) HA SER 99 - HB2 HIS 67 OK 20 100 - 21 - 2112/1.8=5, 6867/3.8=4...(7) HB3 SER 38 - HB2 HIS 67 lone 8 92 - 8 - 2112/1.8=3, 6867/3.8=1 HA ALA 34 - HB2 HIS 67 lone 3 81 - 3 - HA GLU 30 - HB2 HIS 67 lone 2 73 - 3 - Peak 2105 from cnoeabs.peaks (3.34, 3.34, 27.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 HIS 67 + HB2 HIS 67 OK 100 100 - 100 Peak 2106 from cnoeabs.peaks (3.41, 3.34, 27.78 ppm; 3.31 A): 1 out of 2 assignments used, quality = 1.00: * HB3 HIS 67 + HB2 HIS 67 OK 100 100 - 100 - 1.8=100 HA LYS 39 - HB2 HIS 67 OK 24 99 - 24 - 2095/3.0=6, ~6436=4...(8) Peak 2107 from cnoeabs.peaks (7.15, 3.34, 27.78 ppm; 5.55 A): 2 out of 2 assignments used, quality = 1.00: * HD2 HIS 67 + HB2 HIS 67 OK 100 100 - 100 - 4.0=100 QD TYR 72 + HB2 HIS 67 OK 64 96 - 67 - 2096/3.0=15, 2.7/2307=14...(10) Peak 2109 from cnoeabs.peaks (7.86, 3.34, 27.78 ppm; 5.19 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 68 + HB2 HIS 67 OK 100 100 - 100 - 4.4=100 H ALA 88 - HB2 HIS 67 OK 13 87 - 15 - 2098/3.0=6, 2117/1.8=5 Peak 2110 from cnoeabs.peaks (4.46, 3.41, 27.78 ppm; 5.15 A): 3 out of 4 assignments used, quality = 0.93: * HA ASP 64 + HB3 HIS 67 OK 87 100 - 87 - 2046=46, 2045/1.8=42...(6) HA PRO 58 + HB3 HIS 67 OK 31 96 - 33 - 9334/3.8=20, 2102/1.8=8 HB THR 54 + HB3 HIS 67 OK 22 92 - 24 - 1691/3.0=11, 2102/1.8=6...(4) HA SER 106 - HB3 HIS 67 lone 10 100 - 10 - 6875/4.4=3, 2102/1.8=3 Peak 2111 from cnoeabs.peaks (8.65, 3.41, 27.78 ppm; 4.23 A): 1 out of 4 assignments used, quality = 1.00: * H HIS 67 + HB3 HIS 67 OK 100 100 - 100 - 3.8=100 H SER 50 - HB3 HIS 67 OK 26 98 - 27 - 2092/3.0=8, 2103/1.8=8...(6) H HIS 8 - HB3 HIS 67 lone 7 100 - 7 - 2103/1.8=2, 2092/3.0=2 H SER 60 - HB3 HIS 67 lone 2 57 - 4 - Peak 2112 from cnoeabs.peaks (4.22, 3.41, 27.78 ppm; 4.36 A): 1 out of 6 assignments used, quality = 1.00: * HA HIS 67 + HB3 HIS 67 OK 100 100 - 100 - 3.0=100 HA SER 99 - HB3 HIS 67 OK 22 100 - 22 - 2104/1.8=5, 6867/3.8=4...(8) HA SER 51 - HB3 HIS 67 OK 22 100 - 22 - 2104/1.8=5, 6867/3.8=5...(8) HB3 SER 38 - HB3 HIS 67 OK 14 92 - 15 - 4.6/6436=7, 2104/1.8=2 HA ALA 34 - HB3 HIS 67 lone 3 81 - 4 - HA GLU 30 - HB3 HIS 67 lone 2 73 - 3 - Peak 2113 from cnoeabs.peaks (3.34, 3.41, 27.78 ppm; 3.33 A): 1 out of 3 assignments used, quality = 1.00: * HB2 HIS 67 + HB3 HIS 67 OK 100 100 - 100 - 1.8=100 HB3 TYR 72 - HB3 HIS 67 OK 31 99 - 32 - 2094/3.0=6, ~2307=5...(10) HB3 PHE 89 - HB3 HIS 67 lone 3 65 - 4 - Peak 2114 from cnoeabs.peaks (3.41, 3.41, 27.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 HIS 67 + HB3 HIS 67 OK 100 100 - 100 Peak 2115 from cnoeabs.peaks (7.15, 3.41, 27.78 ppm; 6.72 A): 2 out of 2 assignments used, quality = 1.00: * HD2 HIS 67 + HB3 HIS 67 OK 100 100 - 100 - 4.0=100 QD TYR 72 + HB3 HIS 67 OK 65 96 - 68 - 2107/1.8=19, 2096/3.0=17...(8) Peak 2117 from cnoeabs.peaks (7.86, 3.41, 27.78 ppm; 5.13 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 68 + HB3 HIS 67 OK 100 100 - 100 - 4.4=100 H ALA 88 - HB3 HIS 67 OK 13 87 - 15 - 2098/3.0=6, 2109/1.8=5 Peak 2118 from cnoeabs.peaks (7.86, 3.99, 58.83 ppm; 3.81 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 68 + HA GLN 68 OK 100 100 - 100 - 2.9=100 H ALA 88 - HA GLN 68 OK 34 87 - 39 - 2131/3.0=7, 2141/3.0=7...(10) Peak 2119 from cnoeabs.peaks (3.99, 3.99, 58.83 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLN 68 + HA GLN 68 OK 100 100 - 100 Peak 2120 from cnoeabs.peaks (2.22, 3.99, 58.83 ppm; 3.14 A): 1 out of 6 assignments used, quality = 1.00: * HB2 GLN 68 + HA GLN 68 OK 100 100 - 100 - 3.0=100 HB3 GLN 127 - HA GLN 68 OK 19 81 - 24 - 6887/2.9=3, 2143/3.0=3...(10) HB3 GLN 104 - HA GLN 68 OK 13 98 - 14 - 2143/3.0=2, 6887/2.9=2...(6) HB3 GLU 128 - HA GLN 68 OK 11 87 - 13 - 6919/3.6=3, 2143/3.0=2...(5) HB3 GLU 97 - HA GLN 68 OK 11 98 - 11 - 2143/3.0=2, 6887/2.9=2...(5) HG2 GLU 91 - HA GLN 68 lone 6 73 - 8 - 2152/3.7=1 Peak 2121 from cnoeabs.peaks (2.18, 3.99, 58.83 ppm; 3.48 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 68 + HA GLN 68 OK 100 100 - 100 - 3.0=100 Peak 2122 from cnoeabs.peaks (2.23, 3.99, 58.83 ppm; 3.14 A): 1 out of 7 assignments used, quality = 0.94: * HG2 GLN 68 + HA GLN 68 OK 94 100 - 94 - 3.7=61, 2153/3.0=27...(20) HB3 GLN 127 - HA GLN 68 OK 22 92 - 24 - 2135/3.0=4, 2145/3.0=4...(10) HB3 LEU 96 - HA GLN 68 OK 11 92 - 12 - 1.8/11040=2, 2145/3.0=2...(6) HG2 GLU 91 - HA GLN 68 OK 11 96 - 11 - 2135/3.0=2, 6889/2.9=2...(5) HB3 GLU 128 - HA GLN 68 OK 10 87 - 12 - 6921/3.6=2, 2135/3.0=2...(4) HB3 GLU 102 - HA GLN 68 lone 9 99 - 9 - 6889/2.9=2, 3340/4.9=2...(5) HB3 GLN 104 - HA GLN 68 lone 5 65 - 7 - 2135/3.0=1 Peak 2123 from cnoeabs.peaks (2.32, 3.99, 58.83 ppm; 3.69 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLN 68 + HA GLN 68 OK 100 100 - 100 - 3.7=99, 2162/3.0=36...(20) HB3 GLN 134 - HA GLN 68 OK 17 87 - 19 - 2146/3.0=4, 2136/3.0=4...(7) HG3 GLU 30 - HA GLN 68 lone 5 73 - 6 - 6890/2.9=1, 2146/3.0=1 HG2 GLU 40 - HA GLN 68 lone 4 65 - 5 - 2146/3.0=1 Peak 2124 from cnoeabs.peaks (6.86, 3.99, 58.83 ppm; 5.56 A): 1 out of 2 assignments used, quality = 1.00: * HE21 GLN 68 + HA GLN 68 OK 100 100 - 100 - 5.2=100 HE21 GLN 27 - HA GLN 68 OK 17 73 - 22 - 2137/3.0=5, 2147/3.0=5...(6) Peak 2126 from cnoeabs.peaks (8.30, 3.99, 58.83 ppm; 4.34 A): 1 out of 7 assignments used, quality = 1.00: * H LEU 69 + HA GLN 68 OK 100 100 - 100 - 3.6=100 H LEU 49 - HA GLN 68 OK 32 96 - 34 - 6893/2.9=6, 3.2/6623=5...(10) H SER 99 - HA GLN 68 OK 19 81 - 24 - 2139/3.0=3, 6893/2.9=3...(11) H ALA 110 - HA GLN 68 OK 18 99 - 18 - 2.9/11040=4, 2139/3.0=3...(8) H ALA 21 - HA GLN 68 OK 12 65 - 18 - 4.3/355=2, 4.3/349=2...(11) H GLY 111 - HA GLN 68 OK 12 96 - 13 - 3.7/11040=4, 2139/3.0=1...(6) H VAL 126 - HA GLN 68 OK 12 73 - 16 - 3.6/7780=3, 4.0/10394=3...(8) Peak 2127 from cnoeabs.peaks (8.14, 3.99, 58.83 ppm; 3.59 A): 1 out of 4 assignments used, quality = 0.70: * H ASP 71 + HA GLN 68 OK 70 100 - 70 - 6956=19, 4.0/2128=16...(11) H ILE 32 - HA GLN 68 lone 7 98 - 7 - 6932/3.6=3, 2285/2128=1 H VAL 133 - HA GLN 68 lone 4 73 - 5 - 6932/3.6=2 H ALA 15 - HA GLN 68 lone 4 92 - 4 - Peak 2128 from cnoeabs.peaks (2.63, 3.99, 58.83 ppm; 4.37 A): 1 out of 2 assignments used, quality = 0.75: * HB2 ASP 71 + HA GLN 68 OK 75 100 - 75 - 1.8/2129=34, 2284=34...(6) HB2 ASN 59 - HA GLN 68 lone 4 65 - 5 - 3.5/9335=1, 1883/4.9=1 Peak 2129 from cnoeabs.peaks (2.81, 3.99, 58.83 ppm; 3.98 A): 2 out of 3 assignments used, quality = 0.75: * HB3 ASP 71 + HA GLN 68 OK 70 100 - 70 - 1.8/2128=31, 2290=30...(5) HB2 ASN 13 + HA GLN 68 OK 15 100 - 15 - 4.1/11039=9, 11050/3.7=2...(4) HB3 ASN 85 - HA GLN 68 lone 2 73 - 3 - Peak 2130 from cnoeabs.peaks (3.97, 2.22, 28.25 ppm; 3.59 A): 2 out of 9 assignments used, quality = 0.79: * HA THR 65 + HB2 GLN 68 OK 64 100 - 64 - 2066/1.8=29, 2065=23...(6) HA GLN 127 + HB2 GLN 68 OK 43 100 - 44 - 2140/1.8=9, 6876/3.7=6...(18) HA LEU 100 - HB2 GLN 68 poor 8 65 - 13 - 2.9/10027=3, 4.0/10030=2...(6) HB3 SER 94 - HB2 GLN 68 lone 8 99 - 8 - 3.0/2937=2, 2140/1.8=2 HA GLU 91 - HB2 GLN 68 poor 7 57 - 12 - 3.9/2135=2, 2140/1.8=1 HB2 SER 106 - HB2 GLN 68 lone 6 96 - 6 - 2140/1.8=1, 6876/3.7=1 HB3 SER 106 - HB2 GLN 68 lone 4 73 - 5 - HA2 GLY 17 - HB2 GLN 68 lone 1 65 - 2 - HA3 GLY 17 - HB2 GLN 68 lone 1 65 - 2 - Peak 2131 from cnoeabs.peaks (7.86, 2.22, 28.25 ppm; 3.39 A): 1 out of 2 assignments used, quality = 0.95: * H GLN 68 + HB2 GLN 68 OK 95 100 - 95 - 3.7=74, 6888/1.8=37...(14) H ALA 88 - HB2 GLN 68 OK 28 87 - 32 - 2141/1.8=8, 2159/3.0=6...(8) Peak 2132 from cnoeabs.peaks (3.99, 2.22, 28.25 ppm; 3.54 A): 1 out of 4 assignments used, quality = 1.00: * HA GLN 68 + HB2 GLN 68 OK 100 100 - 100 - 3.0=100 HB2 SER 124 - HB2 GLN 68 OK 23 99 - 22 - 2142/1.8=4, 2151/3.0=4...(10) HA SER 50 - HB2 GLN 68 OK 22 98 - 22 - 2142/1.8=5, 6886/3.7=4...(8) HA VAL 20 - HB2 GLN 68 OK 20 98 - 20 - 2142/1.8=4, 2151/3.0=3...(8) Peak 2133 from cnoeabs.peaks (2.22, 2.22, 28.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 68 + HB2 GLN 68 OK 100 100 - 100 Peak 2134 from cnoeabs.peaks (2.18, 2.22, 28.25 ppm; 2.72 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 68 + HB2 GLN 68 OK 100 100 - 100 - 1.8=100 Peak 2135 from cnoeabs.peaks (2.23, 2.22, 28.25 ppm; 2.50 A): 2 out of 7 assignments used, quality = 0.91: * HG2 GLN 68 + HB2 GLN 68 OK 89 100 - 89 - 3.0=58, 2153/1.8=26...(17) HB3 GLN 127 + HB2 GLN 68 OK 19 92 - 21 - 3.0/2130=4, 2145/1.8=4...(7) HB3 LEU 96 - HB2 GLN 68 poor 10 92 - 10 - 2145/1.8=2, 2163/3.0=1...(4) HG2 GLU 91 - HB2 GLN 68 lone 8 96 - 9 - 2145/1.8=2 HB3 GLU 128 - HB2 GLN 68 lone 8 87 - 9 - 2145/1.8=2, 6921/4.4=1 HB3 GLN 104 - HB2 GLN 68 lone 6 65 - 9 - 1.8/3425=2 HB3 GLU 102 - HB2 GLN 68 lone 5 99 - 5 - 2145/1.8=1 Peak 2136 from cnoeabs.peaks (2.32, 2.22, 28.25 ppm; 3.01 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLN 68 + HB2 GLN 68 OK 100 100 - 100 - 3.0=100 HB3 GLN 134 - HB2 GLN 68 OK 14 87 - 16 - 2146/1.8=4, 2155/3.0=3...(6) HG3 GLU 30 - HB2 GLN 68 lone 4 73 - 5 - 2146/1.8=1 HG2 GLU 40 - HB2 GLN 68 lone 3 65 - 5 - Peak 2137 from cnoeabs.peaks (6.86, 2.22, 28.25 ppm; 5.79 A): 1 out of 2 assignments used, quality = 1.00: * HE21 GLN 68 + HB2 GLN 68 OK 100 100 - 100 - 4.6=100 HE21 GLN 27 - HB2 GLN 68 OK 18 73 - 24 - 2147/1.8=6, 2124/3.0=5...(6) Peak 2138 from cnoeabs.peaks (7.76, 2.22, 28.25 ppm; 4.37 A): 1 out of 3 assignments used, quality = 0.99: * HE22 GLN 68 + HB2 GLN 68 OK 99 100 - 99 - 4.6=86, 3.5/2161=31...(14) H VAL 118 - HB2 GLN 68 OK 24 92 - 27 - 4.0/11545=10, 2157/3.0=5...(6) H GLU 55 - HB2 GLN 68 lone 4 73 - 6 - 2157/3.0=1, 2148/1.8=1 Peak 2139 from cnoeabs.peaks (8.30, 2.22, 28.25 ppm; 4.15 A): 1 out of 7 assignments used, quality = 0.96: * H LEU 69 + HB2 GLN 68 OK 96 100 - 96 - 4.4=82, 6920/1.8=44...(10) H LEU 49 - HB2 GLN 68 OK 23 96 - 24 - 2149/1.8=6, 6893/3.7=5...(6) H SER 99 - HB2 GLN 68 OK 18 81 - 22 - 3.4/10027=4, 2149/1.8=3...(9) H VAL 126 - HB2 GLN 68 OK 15 73 - 21 - 4.0/11620=9, 3.6/10359=2...(8) H ALA 110 - HB2 GLN 68 OK 14 99 - 14 - 2149/1.8=3, 2126/3.0=3...(6) H GLY 111 - HB2 GLN 68 lone 8 96 - 8 - 2126/3.0=2, 2149/1.8=2...(5) H ALA 21 - HB2 GLN 68 poor 7 65 - 11 - 3.6/2132=4, 2126/3.0=2...(6) Peak 2140 from cnoeabs.peaks (3.97, 2.18, 28.25 ppm; 3.91 A): 2 out of 9 assignments used, quality = 0.84: * HA THR 65 + HB3 GLN 68 OK 73 100 - 73 - 2066=42, 2065/1.8=22...(6) HA GLN 127 + HB3 GLN 68 OK 40 100 - 40 - 2130/1.8=13, 6876/3.7=7...(14) HA LEU 100 - HB3 GLN 68 poor 7 65 - 11 - ~10027=3, 2130/1.8=2...(6) HB3 SER 94 - HB3 GLN 68 lone 7 99 - 7 - 2130/1.8=2, ~2937=2 HB2 SER 106 - HB3 GLN 68 lone 7 96 - 7 - 2130/1.8=2, 6876/3.7=2 HA GLU 91 - HB3 GLN 68 lone 6 57 - 10 - 2130/1.8=2, 3.9/2145=2...(6) HB3 SER 106 - HB3 GLN 68 lone 4 73 - 6 - ~2130=1, 2130/1.8=1 HA2 GLY 17 - HB3 GLN 68 lone 1 65 - 2 - HA3 GLY 17 - HB3 GLN 68 lone 1 65 - 2 - Peak 2141 from cnoeabs.peaks (7.86, 2.18, 28.25 ppm; 3.86 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 68 + HB3 GLN 68 OK 100 100 - 100 - 3.7=100 H ALA 88 - HB3 GLN 68 OK 36 87 - 41 - 2131/1.8=10, 2159/3.0=8...(8) Peak 2142 from cnoeabs.peaks (3.99, 2.18, 28.25 ppm; 3.88 A): 1 out of 4 assignments used, quality = 1.00: * HA GLN 68 + HB3 GLN 68 OK 100 100 - 100 - 3.0=100 HA SER 50 - HB3 GLN 68 OK 25 98 - 25 - 2132/1.8=5, 6886/3.7=4...(8) HB2 SER 124 - HB3 GLN 68 OK 24 99 - 24 - 2132/1.8=6, 2151/3.0=4...(10) HA VAL 20 - HB3 GLN 68 OK 23 98 - 23 - 2132/1.8=5, 2151/3.0=3...(8) Peak 2143 from cnoeabs.peaks (2.22, 2.18, 28.25 ppm; 2.74 A): 1 out of 6 assignments used, quality = 1.00: * HB2 GLN 68 + HB3 GLN 68 OK 100 100 - 100 - 1.8=100 HB3 GLN 127 - HB3 GLN 68 OK 17 81 - 21 - 3.0/2140=4, 2152/3.0=3...(9) HB3 GLN 104 - HB3 GLN 68 OK 10 98 - 10 - 2120/3.0=2, 2152/3.0=1...(4) HB3 GLU 128 - HB3 GLN 68 poor 10 87 - 11 - 11625/11048=2...(5) HB3 GLU 97 - HB3 GLN 68 lone 9 98 - 9 - 2120/3.0=1, 2152/3.0=1...(4) HG2 GLU 91 - HB3 GLN 68 lone 5 73 - 6 - 2152/3.0=1 Peak 2144 from cnoeabs.peaks (2.18, 2.18, 28.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 68 + HB3 GLN 68 OK 100 100 - 100 Peak 2145 from cnoeabs.peaks (2.23, 2.18, 28.25 ppm; 2.74 A): 1 out of 7 assignments used, quality = 0.95: * HG2 GLN 68 + HB3 GLN 68 OK 95 100 - 95 - 3.0=76, 1.8/2162=31...(18) HB3 GLN 127 - HB3 GLN 68 OK 20 92 - 22 - 2135/1.8=5, 3.0/2140=4...(9) HB3 LEU 96 - HB3 GLN 68 OK 11 92 - 12 - 2135/1.8=2, 2163/3.0=1...(5) HB3 GLU 128 - HB3 GLN 68 poor 9 87 - 11 - 2135/1.8=2...(4) HG2 GLU 91 - HB3 GLN 68 lone 9 96 - 9 - 2135/1.8=2, 2122/3.0=1 HB3 GLU 102 - HB3 GLN 68 lone 6 99 - 6 - 2135/1.8=1, 2122/3.0=1 HB3 GLN 104 - HB3 GLN 68 lone 4 65 - 7 - 2135/1.8=1, ~3425=1 Peak 2146 from cnoeabs.peaks (2.32, 2.18, 28.25 ppm; 3.17 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLN 68 + HB3 GLN 68 OK 100 100 - 100 - 3.0=100 HB3 GLN 134 - HB3 GLN 68 OK 15 87 - 18 - 2136/1.8=4, 2155/3.0=3...(7) HG3 GLU 30 - HB3 GLN 68 lone 4 73 - 5 - 2136/1.8=1 HG2 GLU 40 - HB3 GLN 68 lone 4 65 - 5 - 2136/1.8=1 Peak 2147 from cnoeabs.peaks (6.86, 2.18, 28.25 ppm; 6.37 A): 1 out of 2 assignments used, quality = 1.00: * HE21 GLN 68 + HB3 GLN 68 OK 100 100 - 100 - 4.6=100 HE21 GLN 27 - HB3 GLN 68 OK 20 73 - 27 - 2137/1.8=7, 2124/3.0=6...(6) Peak 2148 from cnoeabs.peaks (7.76, 2.18, 28.25 ppm; 5.20 A): 1 out of 3 assignments used, quality = 1.00: * HE22 GLN 68 + HB3 GLN 68 OK 100 100 - 100 - 4.6=100 H VAL 118 - HB3 GLN 68 OK 21 92 - 23 - 2138/1.8=9, 2157/3.0=7...(4) H GLU 55 - HB3 GLN 68 lone 5 73 - 6 - 2157/3.0=2, 2138/1.8=2 Peak 2149 from cnoeabs.peaks (8.30, 2.18, 28.25 ppm; 4.54 A): 1 out of 7 assignments used, quality = 1.00: * H LEU 69 + HB3 GLN 68 OK 100 100 - 100 - 4.4=100 H LEU 49 - HB3 GLN 68 OK 33 96 - 35 - 11703/9443=6, 6893/3.7=6...(9) H SER 99 - HB3 GLN 68 OK 19 81 - 23 - 2139/1.8=4, ~10027=4...(7) H ALA 110 - HB3 GLN 68 OK 17 99 - 17 - 2139/1.8=3, 2126/3.0=3...(6) H GLY 111 - HB3 GLN 68 lone 9 96 - 9 - 2126/3.0=2, 2139/1.8=2...(5) H ALA 21 - HB3 GLN 68 poor 9 65 - 13 - 3.6/2142=4, 2126/3.0=2...(6) H VAL 126 - HB3 GLN 68 poor 9 73 - 12 - 2139/1.8=4, 2158/3.0=2...(4) Peak 2150 from cnoeabs.peaks (7.86, 2.23, 33.86 ppm; 3.92 A): 2 out of 2 assignments used, quality = 0.96: * H GLN 68 + HG2 GLN 68 OK 93 100 - 93 - 5.1=46, 6888/3.0=35...(12) H ALA 88 + HG2 GLN 68 OK 34 87 - 39 - 2159/1.8=10, 2131/3.0=8...(8) Peak 2151 from cnoeabs.peaks (3.99, 2.23, 33.86 ppm; 3.54 A): 1 out of 4 assignments used, quality = 0.99: * HA GLN 68 + HG2 GLN 68 OK 99 100 - 99 - 3.7=87, 3.0/2153=33...(20) HB2 SER 124 - HG2 GLN 68 OK 20 99 - 20 - 2160/1.8=4, 2132/3.0=4...(7) HA SER 50 - HG2 GLN 68 OK 18 98 - 18 - 2160/1.8=4, 2132/3.0=4...(6) HA VAL 20 - HG2 GLN 68 OK 16 98 - 17 - 2160/1.8=4, 2132/3.0=3...(6) Peak 2152 from cnoeabs.peaks (2.22, 2.23, 33.86 ppm; 2.50 A): 2 out of 6 assignments used, quality = 0.90: * HB2 GLN 68 + HG2 GLN 68 OK 89 100 - 89 - 3.0=58, 1.8/2153=26...(17) HB3 GLN 127 + HG2 GLN 68 OK 15 81 - 19 - 2161/1.8=3, 1.8/4043=2...(9) HB3 GLN 104 - HG2 GLN 68 lone 8 98 - 8 - 2161/1.8=2, 2143/3.0=1 HB3 GLU 128 - HG2 GLN 68 lone 7 87 - 9 - 2161/1.8=1, 2143/3.0=1 HB3 GLU 97 - HG2 GLN 68 lone 7 98 - 7 - 2161/1.8=2, 2143/3.0=1 HG2 GLU 91 - HG2 GLN 68 lone 7 73 - 9 - 1.8/2887=2, 3.0/2873=1...(4) Peak 2153 from cnoeabs.peaks (2.18, 2.23, 33.86 ppm; 2.85 A): 1 out of 1 assignment used, quality = 0.97: * HB3 GLN 68 + HG2 GLN 68 OK 97 100 - 97 - 3.0=86, 2162/1.8=33...(18) Peak 2154 from cnoeabs.peaks (2.23, 2.23, 33.86 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 68 + HG2 GLN 68 OK 100 100 - 100 Peak 2155 from cnoeabs.peaks (2.32, 2.23, 33.86 ppm; 2.55 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLN 68 + HG2 GLN 68 OK 100 100 - 100 - 1.8=100 HB3 GLN 134 - HG2 GLN 68 OK 13 87 - 15 - 4.3/9481=5, 2146/3.0=2...(5) HG3 GLU 30 - HG2 GLN 68 lone 2 73 - 3 - HG2 GLU 40 - HG2 GLN 68 lone 2 65 - 3 - Peak 2156 from cnoeabs.peaks (6.86, 2.23, 33.86 ppm; 3.70 A): 1 out of 2 assignments used, quality = 1.00: * HE21 GLN 68 + HG2 GLN 68 OK 100 100 - 100 - 3.5=100 HE21 GLN 27 - HG2 GLN 68 poor 8 73 - 11 - 2165/1.8=3, 2137/3.0=2...(5) Peak 2157 from cnoeabs.peaks (7.76, 2.23, 33.86 ppm; 4.85 A): 1 out of 3 assignments used, quality = 1.00: * HE22 GLN 68 + HG2 GLN 68 OK 100 100 - 100 - 3.5=100 H VAL 118 - HG2 GLN 68 OK 24 92 - 26 - 2138/3.0=7, 2166/1.8=7...(7) H GLU 55 - HG2 GLN 68 lone 6 73 - 7 - 2166/1.8=2, 2138/3.0=1 Peak 2158 from cnoeabs.peaks (8.30, 2.23, 33.86 ppm; 4.58 A): 2 out of 7 assignments used, quality = 0.93: * H LEU 69 + HG2 GLN 68 OK 91 100 - 91 - 6920/3.0=40, 6922/1.8=29...(9) H LEU 49 + HG2 GLN 68 OK 28 96 - 29 - 5.0/9478=6, 2149/3.0=5...(7) H SER 99 - HG2 GLN 68 OK 19 81 - 24 - 2167/1.8=4, 2139/3.0=4...(8) H ALA 110 - HG2 GLN 68 OK 14 99 - 14 - 2167/1.8=3, 2149/3.0=3...(5) H VAL 126 - HG2 GLN 68 OK 11 73 - 15 - 2139/3.0=3, 3.5/7814=3...(6) H GLY 111 - HG2 GLN 68 lone 9 96 - 9 - 2167/1.8=2, 2126/3.7=2...(4) H ALA 21 - HG2 GLN 68 poor 8 65 - 13 - 3.6/2151=4, 2167/1.8=2...(5) Peak 2159 from cnoeabs.peaks (7.86, 2.32, 33.86 ppm; 3.88 A): 2 out of 2 assignments used, quality = 0.95: * H GLN 68 + HG3 GLN 68 OK 92 100 - 92 - 5.1=44, 6888/3.0=34...(10) H ALA 88 + HG3 GLN 68 OK 34 87 - 39 - 2150/1.8=10, 2131/3.0=8...(8) Peak 2160 from cnoeabs.peaks (3.99, 2.32, 33.86 ppm; 3.54 A): 1 out of 4 assignments used, quality = 0.99: * HA GLN 68 + HG3 GLN 68 OK 99 100 - 99 - 3.7=87, 3.0/2162=33...(20) HB2 SER 124 - HG3 GLN 68 OK 18 99 - 18 - 2151/1.8=5, 2132/3.0=4...(7) HA SER 50 - HG3 GLN 68 OK 17 98 - 17 - 2151/1.8=4, 2132/3.0=4...(7) HA VAL 20 - HG3 GLN 68 OK 16 98 - 16 - 2151/1.8=4, 2132/3.0=3...(6) Peak 2161 from cnoeabs.peaks (2.22, 2.32, 33.86 ppm; 2.50 A): 2 out of 6 assignments used, quality = 0.90: * HB2 GLN 68 + HG3 GLN 68 OK 89 100 - 89 - 3.0=58, 1.8/2162=26...(17) HB3 GLN 127 + HG3 GLN 68 OK 11 81 - 14 - 2152/1.8=3, 2143/3.0=2...(6) HB3 GLN 104 - HG3 GLN 68 lone 7 98 - 7 - 2152/1.8=2, 2143/3.0=1 HB3 GLU 97 - HG3 GLN 68 lone 6 98 - 6 - 2152/1.8=2, 2143/3.0=1 HB3 GLU 128 - HG3 GLN 68 lone 6 87 - 7 - 2152/1.8=2, 2143/3.0=1 HG2 GLU 91 - HG3 GLN 68 lone 4 73 - 6 - 2152/1.8=2 Peak 2162 from cnoeabs.peaks (2.18, 2.32, 33.86 ppm; 2.82 A): 1 out of 1 assignment used, quality = 0.97: * HB3 GLN 68 + HG3 GLN 68 OK 97 100 - 97 - 3.0=83, 2153/1.8=32...(17) Peak 2163 from cnoeabs.peaks (2.23, 2.32, 33.86 ppm; 2.50 A): 1 out of 7 assignments used, quality = 1.00: * HG2 GLN 68 + HG3 GLN 68 OK 100 100 - 100 - 1.8=100 HB3 GLN 127 - HG3 GLN 68 OK 12 92 - 14 - 2135/3.0=2, 2145/3.0=2...(6) HB3 LEU 96 - HG3 GLN 68 lone 8 92 - 9 - 2145/3.0=1, 2135/3.0=1, ~3069=1 HG2 GLU 91 - HG3 GLN 68 lone 6 96 - 7 - 2135/3.0=1, 2145/3.0=1 HB3 GLU 128 - HG3 GLN 68 lone 5 87 - 6 - 2135/3.0=1, 2145/3.0=1 HB3 GLU 102 - HG3 GLN 68 lone 4 99 - 4 - HB3 GLN 104 - HG3 GLN 68 lone 2 65 - 4 - Peak 2164 from cnoeabs.peaks (2.32, 2.32, 33.86 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 68 + HG3 GLN 68 OK 100 100 - 100 Peak 2165 from cnoeabs.peaks (6.86, 2.32, 33.86 ppm; 3.60 A): 1 out of 2 assignments used, quality = 1.00: * HE21 GLN 68 + HG3 GLN 68 OK 100 100 - 100 - 3.5=100 HE21 GLN 27 - HG3 GLN 68 poor 8 73 - 10 - 2156/1.8=3, 2137/3.0=2...(5) Peak 2166 from cnoeabs.peaks (7.76, 2.32, 33.86 ppm; 5.13 A): 1 out of 3 assignments used, quality = 1.00: * HE22 GLN 68 + HG3 GLN 68 OK 100 100 - 100 - 3.5=100 H VAL 118 - HG3 GLN 68 OK 23 92 - 25 - 2157/1.8=8, 2138/3.0=8...(5) H GLU 55 - HG3 GLN 68 lone 6 73 - 7 - 2157/1.8=2, 2138/3.0=1...(4) Peak 2167 from cnoeabs.peaks (8.30, 2.32, 33.86 ppm; 4.71 A): 2 out of 7 assignments used, quality = 0.94: * H LEU 69 + HG3 GLN 68 OK 92 100 - 92 - 6920/3.0=42, 6922=38...(7) H LEU 49 + HG3 GLN 68 OK 23 96 - 24 - 2158/1.8=6, 2149/3.0=6...(5) H SER 99 - HG3 GLN 68 OK 17 81 - 21 - 2158/1.8=4, 2139/3.0=4...(7) H ALA 110 - HG3 GLN 68 OK 14 99 - 14 - 2158/1.8=3, 2149/3.0=3...(5) H GLY 111 - HG3 GLN 68 lone 9 96 - 9 - 2158/1.8=2, 2126/3.7=2...(4) H ALA 21 - HG3 GLN 68 poor 8 65 - 12 - 3.6/2160=4, 2158/1.8=2...(5) H VAL 126 - HG3 GLN 68 poor 8 73 - 10 - 2139/3.0=3, 2158/1.8=3...(4) Peak 2168 from cnoeabs.peaks (8.30, 4.33, 58.25 ppm; 4.85 A): 1 out of 7 assignments used, quality = 1.00: * H LEU 69 + HA LEU 69 OK 100 100 - 100 - 2.9=100 H LEU 49 - HA LEU 69 OK 41 96 - 43 - 5.0/11057=9, ~6915=6...(12) H SER 99 - HA LEU 69 OK 24 81 - 30 - 6939/3.6=5, ~6916=4...(12) H VAL 126 - HA LEU 69 OK 18 73 - 25 - 2215/3.9=5, 2207/3.9=4...(8) H ALA 110 - HA LEU 69 OK 14 99 - 14 - 2126/4.9=2, 2181/3.0=2...(7) H GLY 111 - HA LEU 69 OK 10 96 - 10 - 2126/4.9=2, 2181/3.0=1...(7) H ALA 21 - HA LEU 69 poor 8 65 - 13 - 2207/3.9=2, 2215/3.9=2...(7) Peak 2169 from cnoeabs.peaks (4.33, 4.33, 58.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 69 + HA LEU 69 OK 100 100 - 100 Peak 2170 from cnoeabs.peaks (1.67, 4.33, 58.25 ppm; 5.12 A): 1 out of 10 assignments used, quality = 1.00: * HB2 LEU 69 + HA LEU 69 OK 100 100 - 100 - 3.0=100 HD3 LYS 36 - HA LEU 69 OK 36 100 - 36 - 2217/3.9=5, 2193/3.0=5...(12) HD2 LYS 36 - HA LEU 69 OK 36 100 - 36 - 2217/3.9=5, 2193/3.0=5...(12) HD2 LYS 39 - HA LEU 69 OK 17 65 - 26 - 6941/3.6=4, 2201/3.7=3...(11) HD2 LYS 24 - HA LEU 69 OK 17 73 - 23 - 2193/3.0=2, 2217/3.9=2...(12) HD3 LYS 24 - HA LEU 69 OK 15 65 - 22 - 10739/3.9=2, 2193/3.0=2...(13) HD2 LYS 31 - HA LEU 69 OK 11 73 - 15 - 2217/3.9=2, 2193/3.0=2...(7) QB ALA 88 - HA LEU 69 OK 10 73 - 14 - ~6917=5, 6926/2.9=2...(4) HD3 LYS 31 - HA LEU 69 poor 9 65 - 14 - 10739/3.9=2, 2193/3.0=2...(7) HD2 LYS 26 - HA LEU 69 lone 3 65 - 5 - Peak 2171 from cnoeabs.peaks (2.16, 4.33, 58.25 ppm; 6.08 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 69 + HA LEU 69 OK 100 100 - 100 - 3.0=100 Peak 2172 from cnoeabs.peaks (1.51, 4.33, 58.25 ppm; 6.05 A): 2 out of 2 assignments used, quality = 1.00: * HG LEU 69 + HA LEU 69 OK 100 100 - 100 - 3.7=100 HB2 LEU 53 + HA LEU 69 OK 55 81 - 68 - 3.1/11057=18...(9) Peak 2173 from cnoeabs.peaks (1.01, 4.33, 58.25 ppm; 4.19 A): 1 out of 3 assignments used, quality = 1.00: * QD1 LEU 69 + HA LEU 69 OK 100 100 - 100 - 3.9=100 QG2 VAL 118 - HA LEU 69 OK 45 100 - 45 - 10270/4.9=11, 6929/2.9=9...(8) QG2 VAL 105 - HA LEU 69 OK 17 92 - 18 - 2204/3.7=3, 2196/3.0=3...(6) Peak 2174 from cnoeabs.peaks (0.87, 4.33, 58.25 ppm; 5.07 A): 3 out of 4 assignments used, quality = 1.00: * QD2 LEU 69 + HA LEU 69 OK 100 100 - 100 - 3.9=100 QD2 LEU 98 + HA LEU 69 OK 49 81 - 61 - 6945/3.6=10, 6930/2.9=9...(16) QD1 LEU 98 + HA LEU 69 OK 48 81 - 59 - 6945/3.6=9, 6930/2.9=9...(15) QG2 VAL 57 - HA LEU 69 OK 12 81 - 15 - 2197/3.0=3, 2187/3.0=3...(6) Peak 2175 from cnoeabs.peaks (8.46, 4.33, 58.25 ppm; 5.65 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 70 + HA LEU 69 OK 100 100 - 100 - 3.6=100 H VAL 132 - HA LEU 69 OK 33 81 - 41 - 2223/4.9=9, 6931/2.9=5...(12) H ASP 47 - HA LEU 69 OK 32 73 - 44 - 2214/3.9=12, 2222/3.9=9...(8) Peak 2176 from cnoeabs.peaks (8.32, 4.33, 58.25 ppm; 4.74 A): 1 out of 3 assignments used, quality = 0.89: * H TYR 72 + HA LEU 69 OK 89 100 - 89 - 6973=38, 6953/3.6=33...(13) H ALA 28 - HA LEU 69 lone 8 92 - 8 - 10771/3.0=3, 6953/3.6=2 H GLY 17 - HA LEU 69 lone 6 99 - 6 - 6953/3.6=2, 6992/6988=1 Peak 2178 from cnoeabs.peaks (3.34, 4.33, 58.25 ppm; 6.80 A): 3 out of 3 assignments used, quality = 0.93: * HB3 TYR 72 + HA LEU 69 OK 88 100 - 88 - 3.8/2176=40...(8) HB2 HIS 67 + HA LEU 69 OK 36 99 - 37 - ~6916=21, 6982/2176=5...(6) HB3 PHE 89 + HA LEU 69 OK 11 81 - 13 - 2774/4.9=2, 6995/6988=2...(5) Peak 2181 from cnoeabs.peaks (8.30, 1.67, 40.48 ppm; 5.53 A): 1 out of 7 assignments used, quality = 1.00: * H LEU 69 + HB2 LEU 69 OK 100 100 - 100 - 3.7=100 H VAL 126 - HB2 LEU 69 OK 31 73 - 43 - ~11077=21, 2215/3.0=6...(7) H LEU 49 - HB2 LEU 69 OK 30 96 - 32 - 2168/3.0=8, 6594/4.4=7...(8) H SER 99 - HB2 LEU 69 OK 21 81 - 26 - 6939/4.4=5, 2215/3.0=4...(8) H ALA 110 - HB2 LEU 69 OK 15 99 - 15 - 2168/3.0=3, 2191/1.8=3...(6) H ALA 21 - HB2 LEU 69 OK 12 65 - 18 - ~11060=3, ~11063=3...(8) H GLY 111 - HB2 LEU 69 OK 11 96 - 11 - 2191/1.8=2, 2168/3.0=2...(6) Peak 2182 from cnoeabs.peaks (4.33, 1.67, 40.48 ppm; 6.67 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 69 + HB2 LEU 69 OK 100 100 - 100 - 3.0=100 HA ASN 59 - HB2 LEU 69 OK 43 98 - 44 - 2192/1.8=9, 2200/2.9=8...(9) HA LYS 24 - HB2 LEU 69 OK 36 96 - 38 - 2192/1.8=8, 2200/2.9=8...(9) HA PRO 81 - HB2 LEU 69 OK 21 87 - 23 - 2192/1.8=4, 2200/2.9=4...(8) Peak 2183 from cnoeabs.peaks (1.67, 1.67, 40.48 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 69 + HB2 LEU 69 OK 100 100 - 100 Peak 2184 from cnoeabs.peaks (2.16, 1.67, 40.48 ppm; 5.60 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 69 + HB2 LEU 69 OK 100 100 - 100 - 1.8=100 Peak 2185 from cnoeabs.peaks (1.51, 1.67, 40.48 ppm; 5.04 A): 2 out of 2 assignments used, quality = 1.00: * HG LEU 69 + HB2 LEU 69 OK 100 100 - 100 - 2.9=100 HB2 LEU 53 + HB2 LEU 69 OK 58 81 - 71 - ~11070=15, 2219/3.0=13...(13) Peak 2186 from cnoeabs.peaks (1.01, 1.67, 40.48 ppm; 5.57 A): 2 out of 3 assignments used, quality = 1.00: * QD1 LEU 69 + HB2 LEU 69 OK 100 100 - 100 - 3.2=100 QG2 VAL 118 + HB2 LEU 69 OK 58 100 - 58 - 2196/1.8=13, 2173/3.0=12...(9) QG2 VAL 105 - HB2 LEU 69 OK 30 92 - 32 - 2196/1.8=7, 2204/2.9=6...(9) Peak 2187 from cnoeabs.peaks (0.87, 1.67, 40.48 ppm; 5.31 A): 3 out of 4 assignments used, quality = 1.00: * QD2 LEU 69 + HB2 LEU 69 OK 100 100 - 100 - 3.0=100 QD2 LEU 98 + HB2 LEU 69 OK 52 81 - 64 - 2197/1.8=10, 6945/4.4=9...(18) QD1 LEU 98 + HB2 LEU 69 OK 51 81 - 63 - 2197/1.8=10, 2205/2.9=8...(18) QG2 VAL 57 - HB2 LEU 69 OK 19 81 - 24 - ~11069=4, 2197/1.8=4...(10) Peak 2188 from cnoeabs.peaks (8.46, 1.67, 40.48 ppm; 6.80 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 70 + HB2 LEU 69 OK 100 100 - 100 - 4.4=100 H ASP 47 - HB2 LEU 69 OK 40 73 - 54 - 2214/3.2=16, 2222/3.0=14...(8) H VAL 132 - HB2 LEU 69 OK 31 81 - 38 - 2175/3.0=9, 2198/1.8=8...(8) Peak 2189 from cnoeabs.peaks (3.63, 2.16, 40.48 ppm; 6.80 A): 2 out of 3 assignments used, quality = 0.56: * HA2 GLY 66 + HB3 LEU 69 OK 35 100 - 35 - 6913/3.7=21, 6934/4.4=16 HA3 GLY 66 + HB3 LEU 69 OK 32 92 - 35 - 6914/3.7=20, 6935/4.4=16 HD2 PRO 58 - HB3 LEU 69 lone 6 57 - 10 - 4.6/2197=4, 6913/3.7=2 Peak 2190 from cnoeabs.peaks (3.63, 2.16, 40.48 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.57: * HA3 GLY 66 + HB3 LEU 69 OK 37 100 - 37 - 6914/3.7=22, 6935/4.4=17 HA2 GLY 66 + HB3 LEU 69 OK 31 92 - 34 - 6914/3.7=20, 6935/4.4=15 Peak 2191 from cnoeabs.peaks (8.30, 2.16, 40.48 ppm; 5.88 A): 1 out of 7 assignments used, quality = 1.00: * H LEU 69 + HB3 LEU 69 OK 100 100 - 100 - 3.7=100 H VAL 126 - HB3 LEU 69 OK 34 73 - 46 - ~11077=24, 2215/3.0=7...(7) H LEU 49 - HB3 LEU 69 OK 32 96 - 34 - 2168/3.0=8, 6594/4.4=7...(7) H SER 99 - HB3 LEU 69 OK 21 81 - 26 - 6939/4.4=6, 2168/3.0=5...(8) H ALA 110 - HB3 LEU 69 OK 15 99 - 15 - 2181/1.8=3, 2168/3.0=3...(6) H ALA 21 - HB3 LEU 69 OK 13 65 - 20 - ~11060=4, ~11063=3...(8) H GLY 111 - HB3 LEU 69 OK 12 96 - 12 - 2181/1.8=2, 2168/3.0=2...(6) Peak 2192 from cnoeabs.peaks (4.33, 2.16, 40.48 ppm; 6.80 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 69 + HB3 LEU 69 OK 100 100 - 100 - 3.0=100 HA ASN 59 - HB3 LEU 69 OK 43 98 - 44 - 2182/1.8=9, 2200/2.9=8...(9) HA LYS 24 - HB3 LEU 69 OK 39 96 - 41 - 2182/1.8=8, 2200/2.9=8...(11) HA PRO 81 - HB3 LEU 69 OK 21 87 - 24 - 2182/1.8=5, 2200/2.9=4...(8) Peak 2193 from cnoeabs.peaks (1.67, 2.16, 40.48 ppm; 5.14 A): 3 out of 10 assignments used, quality = 1.00: * HB2 LEU 69 + HB3 LEU 69 OK 100 100 - 100 - 1.8=100 HD3 LYS 36 + HB3 LEU 69 OK 47 100 - 47 - 2217/3.0=6, ~10901=6...(15) HD2 LYS 36 + HB3 LEU 69 OK 47 100 - 47 - 2217/3.0=6, ~10901=6...(15) HD2 LYS 39 - HB3 LEU 69 OK 26 65 - 40 - ~11078=8, ~11079=8...(13) HD2 LYS 24 - HB3 LEU 69 OK 21 73 - 28 - ~10739=4, 5.4/2192=3...(14) HD3 LYS 24 - HB3 LEU 69 OK 18 65 - 27 - ~10739=4, 5.4/2192=3...(13) HD2 LYS 31 - HB3 LEU 69 OK 16 73 - 22 - ~10739=3, 2217/3.0=2...(11) HD3 LYS 31 - HB3 LEU 69 OK 14 65 - 21 - ~10739=3, 10739/3.0=2...(10) QB ALA 88 - HB3 LEU 69 poor 8 73 - 11 - 4.7/9494=2, 6926/3.7=2...(4) HD2 LYS 26 - HB3 LEU 69 lone 4 65 - 5 - Peak 2194 from cnoeabs.peaks (2.16, 2.16, 40.48 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 69 + HB3 LEU 69 OK 100 100 - 100 Peak 2195 from cnoeabs.peaks (1.51, 2.16, 40.48 ppm; 6.26 A): 2 out of 2 assignments used, quality = 1.00: * HG LEU 69 + HB3 LEU 69 OK 100 100 - 100 - 2.9=100 HB2 LEU 53 + HB3 LEU 69 OK 68 81 - 84 - ~11070=23, 2185/1.8=18...(13) Peak 2196 from cnoeabs.peaks (1.01, 2.16, 40.48 ppm; 5.41 A): 2 out of 3 assignments used, quality = 1.00: * QD1 LEU 69 + HB3 LEU 69 OK 100 100 - 100 - 3.2=100 QG2 VAL 118 + HB3 LEU 69 OK 57 100 - 57 - 2173/3.0=12, 2186/1.8=12...(10) QG2 VAL 105 - HB3 LEU 69 OK 29 92 - 31 - 2186/1.8=6, 2204/2.9=6...(9) Peak 2197 from cnoeabs.peaks (0.87, 2.16, 40.48 ppm; 4.87 A): 3 out of 4 assignments used, quality = 1.00: * QD2 LEU 69 + HB3 LEU 69 OK 100 100 - 100 - 3.0=100 QD2 LEU 98 + HB3 LEU 69 OK 47 81 - 58 - 6945/4.4=8, 2187/1.8=8...(18) QD1 LEU 98 + HB3 LEU 69 OK 46 81 - 58 - 2187/1.8=8, 2205/2.9=8...(18) QG2 VAL 57 - HB3 LEU 69 OK 18 81 - 22 - ~11069=3, 2187/1.8=3...(11) Peak 2198 from cnoeabs.peaks (8.46, 2.16, 40.48 ppm; 6.80 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 70 + HB3 LEU 69 OK 100 100 - 100 - 4.4=100 H ASP 47 - HB3 LEU 69 OK 40 73 - 54 - 2214/3.2=16, 2222/3.0=14...(7) H VAL 132 - HB3 LEU 69 OK 30 81 - 36 - 2175/3.0=9, 2188/1.8=8...(6) Peak 2199 from cnoeabs.peaks (8.30, 1.51, 27.00 ppm; 5.41 A): 1 out of 7 assignments used, quality = 1.00: * H LEU 69 + HG LEU 69 OK 100 100 - 100 - 5.2=100 H VAL 126 - HG LEU 69 OK 33 73 - 45 - ~11077=24, 2215/2.1=7...(7) H LEU 49 - HG LEU 69 OK 27 96 - 28 - 2168/3.7=7, 2215/2.1=5...(8) H SER 99 - HG LEU 69 OK 17 81 - 21 - 2215/2.1=5, 2168/3.7=4...(7) H ALA 110 - HG LEU 69 OK 13 99 - 13 - 2215/2.1=2, 2181/2.9=2...(5) H ALA 21 - HG LEU 69 OK 13 65 - 19 - ~11060=4, ~11063=3...(7) H GLY 111 - HG LEU 69 poor 10 96 - 10 - 2215/2.1=2, 2181/2.9=2...(5) Peak 2200 from cnoeabs.peaks (4.33, 1.51, 27.00 ppm; 5.63 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 69 + HG LEU 69 OK 100 100 - 100 - 3.7=100 HA LYS 24 - HG LEU 69 OK 31 96 - 32 - 2216/2.1=7, 2192/2.9=5...(10) HA ASN 59 - HG LEU 69 OK 30 98 - 31 - 2216/2.1=6, 2182/2.9=6...(9) HA PRO 81 - HG LEU 69 OK 17 87 - 19 - 2216/2.1=4, 2182/2.9=3...(7) Peak 2201 from cnoeabs.peaks (1.67, 1.51, 27.00 ppm; 3.59 A): 1 out of 10 assignments used, quality = 1.00: * HB2 LEU 69 + HG LEU 69 OK 100 100 - 100 - 2.9=100 HD3 LYS 36 - HG LEU 69 OK 26 100 - 26 - 2217/2.1=4, 2209/2.1=4...(9) HD2 LYS 36 - HG LEU 69 OK 26 100 - 26 - 2217/2.1=4, 2209/2.1=4...(9) HD2 LYS 39 - HG LEU 69 OK 18 65 - 27 - 2.9/11079=6, 2.9/11079=6...(8) HD2 LYS 24 - HG LEU 69 OK 10 73 - 14 - ~10739=2, 2217/2.1=2...(5) HD3 LYS 24 - HG LEU 69 poor 9 65 - 14 - ~10739=2, 10739/2.1=2...(6) HD2 LYS 31 - HG LEU 69 poor 8 73 - 11 - ~10739=2, 2217/2.1=2, 2209/2.1=1 HD3 LYS 31 - HG LEU 69 poor 7 65 - 11 - ~10739=2, 10739/2.1=2...(4) QB ALA 88 - HG LEU 69 lone 3 73 - 4 - HD2 LYS 26 - HG LEU 69 lone 2 65 - 2 - Peak 2202 from cnoeabs.peaks (2.16, 1.51, 27.00 ppm; 6.51 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 69 + HG LEU 69 OK 100 100 - 100 - 2.9=100 Peak 2203 from cnoeabs.peaks (1.51, 1.51, 27.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 69 + HG LEU 69 OK 100 100 - 100 Peak 2204 from cnoeabs.peaks (1.01, 1.51, 27.00 ppm; 4.14 A): 1 out of 3 assignments used, quality = 1.00: * QD1 LEU 69 + HG LEU 69 OK 100 100 - 100 - 2.1=100 QG2 VAL 118 - HG LEU 69 OK 38 100 - 38 - 2220/2.1=8, 2173/3.7=7...(9) QG2 VAL 105 - HG LEU 69 OK 19 92 - 21 - 2220/2.1=4, 2196/2.9=3...(8) Peak 2205 from cnoeabs.peaks (0.87, 1.51, 27.00 ppm; 3.83 A): 1 out of 4 assignments used, quality = 1.00: * QD2 LEU 69 + HG LEU 69 OK 100 100 - 100 - 2.1=100 QD2 LEU 98 - HG LEU 69 OK 32 81 - 39 - 2213/2.1=6, 2197/2.9=5...(17) QD1 LEU 98 - HG LEU 69 OK 32 81 - 39 - 2213/2.1=6, 2197/2.9=5...(17) QG2 VAL 57 - HG LEU 69 OK 11 81 - 14 - ~11069=3, 2213/2.1=2...(8) Peak 2206 from cnoeabs.peaks (8.46, 1.51, 27.00 ppm; 6.78 A): 2 out of 3 assignments used, quality = 0.97: * H LEU 70 + HG LEU 69 OK 95 100 - 95 - 6942/2.9=50, 6943=37...(12) H ASP 47 + HG LEU 69 OK 54 73 - 73 - 3.7/9182=35, 2214/2.1=16...(10) H VAL 132 - HG LEU 69 OK 33 81 - 41 - 10522/11673=10...(7) Peak 2207 from cnoeabs.peaks (8.30, 1.01, 23.30 ppm; 3.95 A): 1 out of 7 assignments used, quality = 0.94: * H LEU 69 + QD1 LEU 69 OK 94 100 - 94 - 4.3=78, 6927/3.2=31...(6) H VAL 126 - QD1 LEU 69 OK 20 73 - 27 - ~11077=12, 2215/2.1=4...(7) H LEU 49 - QD1 LEU 69 OK 15 96 - 16 - 2168/3.9=3, 2215/2.1=3...(7) H SER 99 - QD1 LEU 69 poor 9 81 - 12 - 7381/2.1=3, 2168/3.9=2...(5) H ALA 21 - QD1 LEU 69 poor 8 65 - 12 - 2.9/11063=3, ~11060=2...(4) H ALA 110 - QD1 LEU 69 lone 7 99 - 7 - 2215/2.1=1, 2168/3.9=1...(4) H GLY 111 - QD1 LEU 69 lone 5 96 - 5 - 2215/2.1=1 Peak 2208 from cnoeabs.peaks (4.33, 1.01, 23.30 ppm; 3.59 A): 3 out of 4 assignments used, quality = 0.91: * HA LEU 69 + QD1 LEU 69 OK 89 100 - 89 - 3.9=76, 2.9/2207=15...(10) HA LYS 24 + QD1 LEU 69 OK 11 96 - 12 - 2216/2.1=3, 2200/2.1=2...(5) HA ASN 59 + QD1 LEU 69 OK 11 98 - 11 - 2200/2.1=2, 2216/2.1=2...(5) HA PRO 81 - QD1 LEU 69 lone 5 87 - 6 - 2216/2.1=1, 2200/2.1=1 Peak 2209 from cnoeabs.peaks (1.67, 1.01, 23.30 ppm; 3.77 A): 1 out of 10 assignments used, quality = 1.00: * HB2 LEU 69 + QD1 LEU 69 OK 100 100 - 100 - 3.2=100 HD3 LYS 36 - QD1 LEU 69 OK 28 100 - 28 - 2217/2.1=5, 2201/2.1=4...(9) HD2 LYS 36 - QD1 LEU 69 OK 28 100 - 28 - 2217/2.1=5, 2201/2.1=4...(9) HD2 LYS 39 - QD1 LEU 69 OK 16 65 - 25 - ~11078=5, ~11079=5...(9) HD2 LYS 24 - QD1 LEU 69 OK 11 73 - 15 - ~10739=3, 2217/2.1=2...(8) HD3 LYS 24 - QD1 LEU 69 poor 9 65 - 14 - ~10739=3, 10739/2.1=2...(7) HD2 LYS 31 - QD1 LEU 69 poor 9 73 - 12 - ~10739=2, 2217/2.1=2, 2201/2.1=1 HD3 LYS 31 - QD1 LEU 69 poor 8 65 - 12 - ~10739=2, 10739/2.1=2...(4) QB ALA 88 - QD1 LEU 69 lone 4 73 - 6 - 4.7/11073=1 HD2 LYS 26 - QD1 LEU 69 lone 2 65 - 3 - Peak 2210 from cnoeabs.peaks (2.16, 1.01, 23.30 ppm; 3.85 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 69 + QD1 LEU 69 OK 100 100 - 100 - 3.2=100 Peak 2211 from cnoeabs.peaks (1.51, 1.01, 23.30 ppm; 3.31 A): 1 out of 2 assignments used, quality = 1.00: * HG LEU 69 + QD1 LEU 69 OK 100 100 - 100 - 2.1=100 HB2 LEU 53 - QD1 LEU 69 OK 32 81 - 40 - 2219/2.1=8, ~11070=7...(13) Peak 2212 from cnoeabs.peaks (1.01, 1.01, 23.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 69 + QD1 LEU 69 OK 100 100 - 100 Peak 2213 from cnoeabs.peaks (0.87, 1.01, 23.30 ppm; 2.84 A): 1 out of 4 assignments used, quality = 1.00: * QD2 LEU 69 + QD1 LEU 69 OK 100 100 - 100 - 2.1=100 QD1 LEU 98 - QD1 LEU 69 OK 18 81 - 23 - 2205/2.1=3, 3190/2.1=3...(10) QD2 LEU 98 - QD1 LEU 69 OK 18 81 - 23 - 2205/2.1=3, 6930/4.3=2...(10) QG2 VAL 57 - QD1 LEU 69 lone 6 81 - 8 - 2.1/11069=2, 2205/2.1=1 Peak 2214 from cnoeabs.peaks (8.46, 1.01, 23.30 ppm; 4.67 A): 2 out of 3 assignments used, quality = 0.96: * H LEU 70 + QD1 LEU 69 OK 92 100 - 92 - 6942/3.2=35, 3.6/2208=29...(11) H ASP 47 + QD1 LEU 69 OK 52 73 - 71 - 3.7/11063=33...(10) H VAL 132 - QD1 LEU 69 OK 19 81 - 23 - 7909/11074=5, 2175/3.9=4...(7) Peak 2215 from cnoeabs.peaks (8.30, 0.87, 28.07 ppm; 4.55 A): 1 out of 7 assignments used, quality = 0.96: * H LEU 69 + QD2 LEU 69 OK 96 100 - 96 - 4.9=79, 6927/3.0=40...(11) H VAL 126 - QD2 LEU 69 OK 31 73 - 42 - 2.9/11077=24, 2207/2.1=5...(7) H LEU 49 - QD2 LEU 69 OK 24 96 - 25 - 2168/3.9=5, 2207/2.1=4...(8) H SER 99 - QD2 LEU 69 OK 21 81 - 26 - 7381=3, 2168/3.9=3...(11) H ALA 21 - QD2 LEU 69 OK 11 65 - 16 - 2.9/11060=5, ~11063=2...(7) H ALA 110 - QD2 LEU 69 OK 10 99 - 10 - 2207/2.1=2, 2199/2.1=2...(5) H GLY 111 - QD2 LEU 69 lone 8 96 - 8 - 2207/2.1=1, 2199/2.1=1...(5) Peak 2216 from cnoeabs.peaks (4.33, 0.87, 28.07 ppm; 5.31 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 69 + QD2 LEU 69 OK 100 100 - 100 - 3.9=100 HA LYS 24 - QD2 LEU 69 OK 28 96 - 29 - 2200/2.1=6, 2208/2.1=5...(7) HA ASN 59 - QD2 LEU 69 OK 23 98 - 24 - 2200/2.1=6, 2182/3.0=5...(5) HA PRO 81 - QD2 LEU 69 OK 14 87 - 16 - 2200/2.1=3, 2182/3.0=2...(6) Peak 2217 from cnoeabs.peaks (1.67, 0.87, 28.07 ppm; 3.75 A): 1 out of 10 assignments used, quality = 1.00: * HB2 LEU 69 + QD2 LEU 69 OK 100 100 - 100 - 3.0=100 HD2 LYS 36 - QD2 LEU 69 OK 34 100 - 34 - 3.5/10898=8, 2201/2.1=4...(10) HD3 LYS 36 - QD2 LEU 69 OK 34 100 - 34 - 3.5/10898=8, 2201/2.1=4...(10) HD2 LYS 39 - QD2 LEU 69 OK 20 65 - 30 - 2.9/11078=8, 2.9/11078=7...(10) HD2 LYS 24 - QD2 LEU 69 OK 13 73 - 18 - 1.8/10739=4, 10739=3...(7) HD2 LYS 31 - QD2 LEU 69 OK 12 73 - 16 - 1.8/10739=4, 10739=2...(5) HD3 LYS 24 - QD2 LEU 69 OK 11 65 - 17 - 1.8/10739=4, 10739=3...(8) HD3 LYS 31 - QD2 LEU 69 poor 10 65 - 15 - 1.8/10739=4, 10739=2...(5) QB ALA 88 - QD2 LEU 69 lone 4 73 - 5 - HD2 LYS 26 - QD2 LEU 69 lone 2 65 - 3 - Peak 2218 from cnoeabs.peaks (2.16, 0.87, 28.07 ppm; 4.20 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 69 + QD2 LEU 69 OK 100 100 - 100 - 3.0=100 Peak 2219 from cnoeabs.peaks (1.51, 0.87, 28.07 ppm; 3.69 A): 1 out of 2 assignments used, quality = 1.00: * HG LEU 69 + QD2 LEU 69 OK 100 100 - 100 - 2.1=100 HB2 LEU 53 - QD2 LEU 69 OK 40 81 - 50 - 1.8/11070=11, 2211/2.1=9...(14) Peak 2220 from cnoeabs.peaks (1.01, 0.87, 28.07 ppm; 3.13 A): 1 out of 3 assignments used, quality = 1.00: * QD1 LEU 69 + QD2 LEU 69 OK 100 100 - 100 - 2.1=100 QG2 VAL 118 - QD2 LEU 69 OK 23 100 - 23 - 2204/2.1=5, 2173/3.9=4...(8) QG2 VAL 105 - QD2 LEU 69 OK 11 92 - 12 - 2204/2.1=2, 2196/3.0=2...(6) Peak 2221 from cnoeabs.peaks (0.87, 0.87, 28.07 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 69 + QD2 LEU 69 OK 100 100 - 100 Peak 2222 from cnoeabs.peaks (8.46, 0.87, 28.07 ppm; 6.40 A): 2 out of 3 assignments used, quality = 0.98: * H LEU 70 + QD2 LEU 69 OK 94 100 - 94 - 6942/3.0=49, 6943/2.1=37...(12) H ASP 47 + QD2 LEU 69 OK 63 73 - 85 - 3.7/11060=42...(12) H VAL 132 - QD2 LEU 69 OK 27 81 - 33 - 2175/3.9=8, 2206/2.1=7...(6) Peak 2223 from cnoeabs.peaks (8.46, 3.88, 58.34 ppm; 4.52 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 70 + HA LEU 70 OK 100 100 - 100 - 2.9=100 H VAL 132 - HA LEU 70 OK 43 81 - 53 - 2260/3.8=9, 2268/4.0=8...(15) H ASP 47 - HA LEU 70 OK 12 73 - 16 - 2175/4.9=3...(9) Peak 2224 from cnoeabs.peaks (3.88, 3.88, 58.34 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 70 + HA LEU 70 OK 100 100 - 100 Peak 2225 from cnoeabs.peaks (1.71, 3.88, 58.34 ppm; 3.77 A): 2 out of 6 assignments used, quality = 1.00: * HB2 LEU 70 + HA LEU 70 OK 100 100 - 100 - 3.0=100 HB3 LEU 70 + HA LEU 70 OK 98 98 - 100 - 3.0=100 HG LEU 98 - HA LEU 70 OK 38 99 - 39 - 2.1/2229=8, 6947/2.9=4...(14) HD3 LYS 39 - HA LEU 70 OK 22 99 - 22 - 2.9/11105=4, 2.9/11105=4...(8) HG2 ARG 135 - HA LEU 70 OK 14 100 - 14 - 3.0/11105=2, ~4340=2...(7) HG LEU 48 - HA LEU 70 lone 9 99 - 8 - 6947/2.9=1, ~1524=1 Peak 2226 from cnoeabs.peaks (1.71, 3.88, 58.34 ppm; 3.77 A): 2 out of 6 assignments used, quality = 1.00: * HB3 LEU 70 + HA LEU 70 OK 100 100 - 100 - 3.0=100 HB2 LEU 70 + HA LEU 70 OK 98 98 - 100 - 3.0=100 HG LEU 98 - HA LEU 70 OK 35 92 - 38 - 2.1/2229=8, 6947/2.9=4...(14) HD3 LYS 39 - HA LEU 70 OK 22 100 - 22 - 2.9/11105=4, 2.9/11105=4...(8) HG2 ARG 135 - HA LEU 70 OK 14 96 - 14 - 3.0/11105=2, ~4340=2...(7) HG LEU 48 - HA LEU 70 lone 9 100 - 8 - 6948/2.9=1, ~1524=1 Peak 2227 from cnoeabs.peaks (1.61, 3.88, 58.34 ppm; 4.14 A): 1 out of 5 assignments used, quality = 1.00: * HG LEU 70 + HA LEU 70 OK 100 100 - 100 - 3.7=100 HB2 LEU 122 - HA LEU 70 OK 16 98 - 16 - 6949/2.9=4, 2272/4.0=3...(6) HG LEU 122 - HA LEU 70 OK 10 81 - 12 - 6949/2.9=2, 2272/4.0=2...(6) HB3 LEU 22 - HA LEU 70 lone 9 92 - 10 - 6949/2.9=2, 2272/4.0=2...(5) HG LEU 22 - HA LEU 70 lone 9 92 - 10 - 6949/2.9=2, 2272/4.0=1...(5) Peak 2228 from cnoeabs.peaks (0.82, 3.88, 58.34 ppm; 3.44 A): 2 out of 4 assignments used, quality = 0.96: * QD1 LEU 70 + HA LEU 70 OK 93 100 - 93 - 3.8=72, 2.1/2269=28...(13) QG2 ILE 129 + HA LEU 70 OK 38 98 - 39 - 3.0/11116=14...(9) HG13 ILE 80 - HA LEU 70 OK 25 92 - 27 - 6950/2.9=4, 2257/3.7=4...(11) QG2 ILE 80 - HA LEU 70 OK 25 92 - 27 - 6950/2.9=4, 2257/3.7=4...(10) Peak 2229 from cnoeabs.peaks (0.86, 3.88, 58.34 ppm; 3.35 A): 3 out of 4 assignments used, quality = 0.93: * QD2 LEU 70 + HA LEU 70 OK 87 100 - 87 - 4.0=60, 2.1/2261=21...(11) QG2 ILE 32 + HA LEU 70 OK 29 99 - 29 - 3.2/10822=6, 6951/2.9=6...(8) QD1 LEU 98 + HA LEU 70 OK 28 87 - 33 - 6951/2.9=5, 2258/3.7=4...(13) QG2 VAL 57 - HA LEU 70 lone 4 87 - 4 - 9317/9243=1 Peak 2230 from cnoeabs.peaks (8.14, 3.88, 58.34 ppm; 5.17 A): 2 out of 4 assignments used, quality = 1.00: * H ASP 71 + HA LEU 70 OK 100 100 - 100 - 3.6=100 H ILE 32 + HA LEU 70 OK 56 98 - 57 - 3.0/10822=14...(10) H VAL 133 - HA LEU 70 OK 37 73 - 51 - 3.3/2223=10, 6952/2.9=9...(13) H ALA 15 - HA LEU 70 OK 16 92 - 17 - 2267/3.8=2, 6952/2.9=2...(7) Peak 2231 from cnoeabs.peaks (8.85, 3.88, 58.34 ppm; 4.95 A): 1 out of 1 assignment used, quality = 0.94: * H CYS 73 + HA LEU 70 OK 94 100 - 94 - 6989=35, 3.8/2233=28...(13) Peak 2232 from cnoeabs.peaks (2.75, 3.88, 58.34 ppm; 4.94 A): 2 out of 3 assignments used, quality = 0.77: * HB2 CYS 73 + HA LEU 70 OK 74 100 - 74 - 1.8/2233=38, 3.8/2231=29...(6) HB2 ASP 64 + HA LEU 70 OK 11 98 - 11 - ~9499=7, 2333/2233=1 HB3 ASP 35 - HA LEU 70 lone 8 99 - 8 - 10883/10822=2...(4) Peak 2233 from cnoeabs.peaks (3.32, 3.88, 58.34 ppm; 4.59 A): 2 out of 2 assignments used, quality = 0.76: * HB3 CYS 73 + HA LEU 70 OK 73 100 - 73 - 1.8/2232=28, 3.8/2231=25...(8) HB2 PHE 89 + HA LEU 70 OK 10 81 - 12 - 3.5/7190=2, 4.4/7205=2...(7) Peak 2234 from cnoeabs.peaks (4.22, 1.71, 41.52 ppm; 4.19 A): 4 out of 12 assignments used, quality = 0.96: * HA HIS 67 + HB2 LEU 70 OK 74 100 - 74 - 2099/3.2=23, 9462/3.2=21...(9) HA HIS 67 + HB3 LEU 70 OK 64 87 - 74 - 2099/3.2=23, 9462/3.2=21...(9) HA SER 99 + HB2 LEU 70 OK 38 100 - 38 - 11104/3.2=7, 2.9/7379=6...(11) HA SER 99 + HB3 LEU 70 OK 33 87 - 38 - 11104/3.2=7, 6936/3.2=6...(11) HA SER 51 - HB2 LEU 70 OK 21 100 - 21 - ~11918=5, 11104/3.2=5...(6) HA SER 51 - HB3 LEU 70 OK 19 86 - 21 - ~11918=5, 11104/3.2=5...(6) HB3 SER 38 - HB2 LEU 70 lone 5 92 - 6 - 4.6/6442=3 HB3 SER 38 - HB3 LEU 70 lone 4 75 - 6 - 4.6/6442=3 HA ALA 34 - HB2 LEU 70 lone 3 81 - 3 - ~11940=1 HA GLU 30 - HB2 LEU 70 lone 3 73 - 4 - HA ALA 34 - HB3 LEU 70 lone 2 64 - 3 - ~11940=1 HA GLU 30 - HB3 LEU 70 lone 2 57 - 3 - Peak 2235 from cnoeabs.peaks (8.46, 1.71, 41.52 ppm; 3.77 A): 2 out of 6 assignments used, quality = 1.00: * H LEU 70 + HB2 LEU 70 OK 100 100 - 100 - 3.2=100 H LEU 70 + HB3 LEU 70 OK 87 87 - 100 - 3.2=100 H VAL 132 - HB2 LEU 70 OK 41 81 - 51 - 2260/3.2=7, 2268/3.2=7...(20) H VAL 132 - HB3 LEU 70 OK 32 64 - 51 - 2260/3.2=7, 2268/3.2=7...(20) H ASP 47 - HB2 LEU 70 lone 7 73 - 10 - 3.6/6586=2, 2223/3.0=2...(4) H ASP 47 - HB3 LEU 70 lone 6 57 - 10 - 3.6/6586=2, 2223/3.0=2...(4) Peak 2236 from cnoeabs.peaks (3.88, 1.71, 41.52 ppm; 4.11 A): 2 out of 8 assignments used, quality = 1.00: * HA LEU 70 + HB2 LEU 70 OK 100 100 - 100 - 3.0=100 HA LEU 70 + HB3 LEU 70 OK 87 87 - 100 - 3.0=100 HA LYS 86 - HB2 LEU 70 OK 20 87 - 23 - 2261/3.2=5, 2269/3.2=4...(10) HA LYS 86 - HB3 LEU 70 OK 16 70 - 23 - 2261/3.2=5, 2269/3.2=4...(10) HB3 SER 50 - HB2 LEU 70 OK 15 81 - 18 - 6946/3.2=4, ~6938=4...(8) HB3 SER 50 - HB3 LEU 70 OK 11 64 - 18 - 6946/3.2=4, ~6938=4...(8) HA2 GLY 114 - HB2 LEU 70 lone 10 100 - 10 - 6946/3.2=2, 2261/3.2=2...(5) HA2 GLY 114 - HB3 LEU 70 lone 9 86 - 10 - 6946/3.2=2, 2261/3.2=2...(5) Peak 2237 from cnoeabs.peaks (1.71, 1.71, 41.52 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 LEU 70 + HB2 LEU 70 OK 100 100 - 100 HB3 LEU 70 + HB3 LEU 70 OK 83 83 - 100 Peak 2238 from cnoeabs.peaks (1.71, 1.71, 41.52 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB2 LEU 70 + HB2 LEU 70 OK 98 98 - 100 HB3 LEU 70 + HB3 LEU 70 OK 87 87 - 100 Reference assignment not found: HB3 LEU 70 - HB2 LEU 70 Peak 2239 from cnoeabs.peaks (1.61, 1.71, 41.52 ppm; 3.64 A): 2 out of 10 assignments used, quality = 1.00: * HG LEU 70 + HB2 LEU 70 OK 100 100 - 100 - 3.0=100 HG LEU 70 + HB3 LEU 70 OK 87 87 - 100 - 3.0=100 HB2 LEU 122 - HB2 LEU 70 OK 16 98 - 17 - 2272/3.2=3, 2264/3.2=3...(4) HB2 LEU 122 - HB3 LEU 70 OK 14 83 - 17 - 2272/3.2=3, 2264/3.2=3...(4) HG LEU 122 - HB2 LEU 70 OK 11 81 - 13 - 2272/3.2=2, 6949/3.2=2...(7) HB3 LEU 22 - HB2 LEU 70 lone 9 92 - 9 - 2227/3.0=2, 2272/3.2=2...(4) HG LEU 22 - HB2 LEU 70 lone 9 92 - 9 - 2227/3.0=2, 6949/3.2=1...(4) HG LEU 122 - HB3 LEU 70 poor 8 64 - 13 - 2272/3.2=2, 6949/3.2=2...(7) HB3 LEU 22 - HB3 LEU 70 lone 7 75 - 9 - 2227/3.0=2, 2272/3.2=2...(4) HG LEU 22 - HB3 LEU 70 lone 7 75 - 9 - 2227/3.0=2, 6949/3.2=1...(4) Peak 2240 from cnoeabs.peaks (0.82, 1.71, 41.52 ppm; 3.34 A): 2 out of 8 assignments used, quality = 1.00: * QD1 LEU 70 + HB2 LEU 70 OK 100 100 - 100 - 3.2=100 QD1 LEU 70 + HB3 LEU 70 OK 87 87 - 100 - 3.2=100 QG2 ILE 129 - HB2 LEU 70 OK 33 98 - 34 - ~11116=7, 11632/4.3=6...(9) QG2 ILE 80 - HB2 LEU 70 OK 31 92 - 33 - 2257/3.0=4, 2455/3.2=4...(17) HG13 ILE 80 - HB2 LEU 70 OK 30 92 - 33 - 2257/3.0=4, 2467/3.2=4...(18) QG2 ILE 129 - HB3 LEU 70 OK 28 83 - 34 - ~11116=7, 11632/4.3=6...(9) QG2 ILE 80 - HB3 LEU 70 OK 25 75 - 33 - 2257/3.0=4, 2455/3.2=4...(17) HG13 ILE 80 - HB3 LEU 70 OK 25 75 - 33 - 2257/3.0=4, 2467/3.2=4...(18) Peak 2241 from cnoeabs.peaks (0.86, 1.71, 41.52 ppm; 3.29 A): 3 out of 8 assignments used, quality = 1.00: * QD2 LEU 70 + HB2 LEU 70 OK 100 100 - 100 - 3.2=100 QD2 LEU 70 + HB3 LEU 70 OK 87 87 - 100 - 3.2=100 QD1 LEU 98 + HB2 LEU 70 OK 50 87 - 57 - 2.1/3196=6, 3188=6...(30) QD1 LEU 98 - HB3 LEU 70 OK 39 70 - 57 - 2.1/3196=6, 3188=6...(30) QG2 ILE 32 - HB2 LEU 70 OK 35 99 - 35 - ~10822=7, 6951/3.2=5...(12) QG2 ILE 32 - HB3 LEU 70 OK 29 85 - 35 - ~10822=7, 6951/3.2=5...(12) QG2 VAL 57 - HB2 LEU 70 lone 5 87 - 5 - QG2 VAL 57 - HB3 LEU 70 lone 4 70 - 5 - Peak 2242 from cnoeabs.peaks (8.14, 1.71, 41.52 ppm; 4.16 A): 3 out of 8 assignments used, quality = 1.00: * H ASP 71 + HB2 LEU 70 OK 97 100 - 97 - 4.3=87, 6962/1.8=18...(18) H ASP 71 + HB3 LEU 70 OK 84 87 - 97 - 4.3=87, 6961/1.8=18...(18) H ILE 32 + HB2 LEU 70 OK 45 98 - 46 - ~10822=13, 6353/3.2=9...(8) H ILE 32 - HB3 LEU 70 OK 38 83 - 46 - ~10822=13, 6353/3.2=9...(8) H VAL 133 - HB2 LEU 70 OK 35 73 - 47 - 6952/3.2=6, 2259/3.0=6...(15) H VAL 133 - HB3 LEU 70 OK 27 57 - 47 - 6952/3.2=6, 2259/3.0=6...(16) H ALA 15 - HB2 LEU 70 OK 10 92 - 11 - 2259/3.0=2, 2267/3.2=2...(5) H ALA 15 - HB3 LEU 70 poor 8 75 - 11 - 2259/3.0=2, 2267/3.2=2...(5) Peak 2243 from cnoeabs.peaks (4.22, 1.71, 41.52 ppm; 4.20 A): 3 out of 12 assignments used, quality = 0.94: * HA HIS 67 + HB3 LEU 70 OK 75 100 - 75 - 2099/3.2=23, 9462/3.2=21...(10) HA HIS 67 + HB2 LEU 70 OK 64 87 - 74 - 2099/3.2=23, 9462/3.2=21...(9) HA SER 99 + HB3 LEU 70 OK 38 100 - 38 - 11104/3.2=7, 6936/3.2=6...(11) HA SER 99 - HB2 LEU 70 OK 33 87 - 38 - 11104/3.2=7, 6936/3.2=6...(11) HA SER 51 - HB3 LEU 70 OK 22 100 - 22 - ~11918=5, 11104/3.2=5...(6) HA SER 51 - HB2 LEU 70 OK 19 86 - 21 - ~11918=5, 11104/3.2=5...(6) HB3 SER 38 - HB3 LEU 70 lone 5 92 - 6 - 4.6/6442=3 HB3 SER 38 - HB2 LEU 70 lone 4 75 - 6 - 4.6/6442=3 HA ALA 34 - HB3 LEU 70 lone 3 81 - 3 - ~11940=1 HA GLU 30 - HB3 LEU 70 lone 2 73 - 3 - HA ALA 34 - HB2 LEU 70 lone 2 64 - 3 - ~11940=1 HA GLU 30 - HB2 LEU 70 lone 2 57 - 3 - Peak 2244 from cnoeabs.peaks (8.46, 1.71, 41.52 ppm; 3.80 A): 2 out of 6 assignments used, quality = 1.00: * H LEU 70 + HB3 LEU 70 OK 100 100 - 100 - 3.2=100 H LEU 70 + HB2 LEU 70 OK 87 87 - 100 - 3.2=100 H VAL 132 - HB3 LEU 70 OK 42 81 - 52 - 2260/3.2=7, 2268/3.2=7...(20) H VAL 132 - HB2 LEU 70 OK 33 64 - 51 - 2260/3.2=7, 2268/3.2=7...(20) H ASP 47 - HB3 LEU 70 lone 7 73 - 10 - 3.6/6586=2, 2223/3.0=2...(4) H ASP 47 - HB2 LEU 70 lone 6 57 - 10 - 3.6/6586=2, 2223/3.0=2...(4) Peak 2245 from cnoeabs.peaks (3.88, 1.71, 41.52 ppm; 4.12 A): 2 out of 8 assignments used, quality = 1.00: * HA LEU 70 + HB3 LEU 70 OK 100 100 - 100 - 3.0=100 HA LEU 70 + HB2 LEU 70 OK 87 87 - 100 - 3.0=100 HA LYS 86 - HB3 LEU 70 OK 20 87 - 23 - 2261/3.2=5, 2269/3.2=4...(10) HA LYS 86 - HB2 LEU 70 OK 16 70 - 23 - 2261/3.2=5, 2269/3.2=4...(10) HB3 SER 50 - HB3 LEU 70 OK 15 81 - 18 - 6946/3.2=4, ~6938=4...(8) HB3 SER 50 - HB2 LEU 70 OK 12 64 - 18 - 6946/3.2=4, ~6938=4...(8) HA2 GLY 114 - HB3 LEU 70 lone 10 100 - 10 - 6946/3.2=2, 2261/3.2=2...(5) HA2 GLY 114 - HB2 LEU 70 lone 9 86 - 10 - 6946/3.2=2, 2261/3.2=2...(5) Peak 2246 from cnoeabs.peaks (1.71, 1.71, 41.52 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 LEU 70 + HB3 LEU 70 OK 98 98 - 100 HB2 LEU 70 + HB2 LEU 70 OK 87 87 - 100 Reference assignment not found: HB2 LEU 70 - HB3 LEU 70 Peak 2247 from cnoeabs.peaks (1.71, 1.71, 41.52 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 LEU 70 + HB3 LEU 70 OK 100 100 - 100 HB2 LEU 70 + HB2 LEU 70 OK 83 83 - 100 Peak 2248 from cnoeabs.peaks (1.61, 1.71, 41.52 ppm; 3.63 A): 2 out of 10 assignments used, quality = 1.00: * HG LEU 70 + HB3 LEU 70 OK 100 100 - 100 - 3.0=100 HG LEU 70 + HB2 LEU 70 OK 87 87 - 100 - 3.0=100 HB2 LEU 122 - HB3 LEU 70 OK 16 98 - 16 - 2272/3.2=3, 2264/3.2=3...(4) HB2 LEU 122 - HB2 LEU 70 OK 14 83 - 16 - 2272/3.2=3, 2264/3.2=3...(4) HG LEU 122 - HB3 LEU 70 OK 11 81 - 13 - 2272/3.2=2, 6949/3.2=2...(7) HB3 LEU 22 - HB3 LEU 70 lone 9 92 - 9 - 2227/3.0=2, 2272/3.2=2...(4) HG LEU 22 - HB3 LEU 70 lone 9 92 - 9 - 2227/3.0=2, 6949/3.2=1...(4) HG LEU 122 - HB2 LEU 70 poor 8 64 - 13 - 2272/3.2=2, 6949/3.2=2...(7) HB3 LEU 22 - HB2 LEU 70 lone 7 75 - 9 - 2227/3.0=2, 2272/3.2=2...(4) HG LEU 22 - HB2 LEU 70 lone 7 75 - 9 - 2227/3.0=2, 6949/3.2=1...(4) Peak 2249 from cnoeabs.peaks (0.82, 1.71, 41.52 ppm; 3.28 A): 2 out of 8 assignments used, quality = 1.00: * QD1 LEU 70 + HB3 LEU 70 OK 100 100 - 100 - 3.2=100 QD1 LEU 70 + HB2 LEU 70 OK 87 87 - 100 - 3.2=100 QG2 ILE 129 - HB3 LEU 70 OK 32 98 - 33 - ~11116=7, 11632/4.3=6...(9) QG2 ILE 80 - HB3 LEU 70 OK 30 92 - 32 - 2257/3.0=4, 2455/3.2=4...(15) HG13 ILE 80 - HB3 LEU 70 OK 29 92 - 32 - 2257/3.0=4, 2467/3.2=4...(16) QG2 ILE 129 - HB2 LEU 70 OK 27 83 - 33 - ~11116=7, 11632/4.3=6...(9) QG2 ILE 80 - HB2 LEU 70 OK 24 75 - 32 - 2257/3.0=4, 2455/3.2=4...(15) HG13 ILE 80 - HB2 LEU 70 OK 24 75 - 32 - 2257/3.0=4, 2467/3.2=4...(16) Peak 2250 from cnoeabs.peaks (0.86, 1.71, 41.52 ppm; 3.31 A): 3 out of 8 assignments used, quality = 1.00: * QD2 LEU 70 + HB3 LEU 70 OK 100 100 - 100 - 3.2=100 QD2 LEU 70 + HB2 LEU 70 OK 87 87 - 100 - 3.2=100 QD1 LEU 98 + HB3 LEU 70 OK 48 87 - 55 - 3188/1.8=5, 2258/3.0=5...(30) QD1 LEU 98 - HB2 LEU 70 OK 39 70 - 56 - 2.1/3196=5, 3188=5...(30) QG2 ILE 32 - HB3 LEU 70 OK 35 99 - 35 - ~10822=7, 6951/3.2=5...(12) QG2 ILE 32 - HB2 LEU 70 OK 30 85 - 35 - ~10822=7, 6951/3.2=5...(12) QG2 VAL 57 - HB3 LEU 70 lone 4 87 - 5 - QG2 VAL 57 - HB2 LEU 70 lone 4 70 - 5 - Peak 2251 from cnoeabs.peaks (8.14, 1.71, 41.52 ppm; 4.16 A): 3 out of 8 assignments used, quality = 1.00: * H ASP 71 + HB3 LEU 70 OK 97 100 - 97 - 4.3=87, 6961/1.8=18...(18) H ASP 71 + HB2 LEU 70 OK 85 87 - 97 - 4.3=87, 6962/1.8=18...(18) H ILE 32 + HB3 LEU 70 OK 45 98 - 46 - ~10822=13, 6353/3.2=9...(8) H ILE 32 - HB2 LEU 70 OK 38 83 - 46 - ~10822=13, 6353/3.2=9...(8) H VAL 133 - HB3 LEU 70 OK 35 73 - 48 - 6952/3.2=6, 2259/3.0=6...(16) H VAL 133 - HB2 LEU 70 OK 27 57 - 47 - 6952/3.2=6, 2259/3.0=6...(16) H ALA 15 - HB3 LEU 70 OK 10 92 - 11 - 2259/3.0=2, 2267/3.2=2...(5) H ALA 15 - HB2 LEU 70 poor 8 75 - 11 - 2259/3.0=2, 2267/3.2=2...(5) Peak 2252 from cnoeabs.peaks (8.46, 1.61, 27.00 ppm; 6.80 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 70 + HG LEU 70 OK 100 100 - 100 - 5.0=100 H VAL 132 + HG LEU 70 OK 65 81 - 81 - ~10513=31, ~11099=23...(14) H ASP 47 - HG LEU 70 OK 10 73 - 14 - 2223/3.7=4, 2268/2.1=3...(5) Peak 2253 from cnoeabs.peaks (3.88, 1.61, 27.00 ppm; 6.46 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 70 + HG LEU 70 OK 100 100 - 100 - 3.7=100 HA LYS 86 - HG LEU 70 OK 30 87 - 34 - 2261/2.1=8, ~9813=6...(8) HB3 SER 50 - HG LEU 70 OK 16 81 - 20 - 6946/5.0=6, 2269/2.1=4...(6) HA2 GLY 114 - HG LEU 70 OK 15 100 - 15 - 2261/2.1=3, 6946/5.0=3...(5) Peak 2254 from cnoeabs.peaks (1.71, 1.61, 27.00 ppm; 3.05 A): 2 out of 6 assignments used, quality = 1.00: * HB2 LEU 70 + HG LEU 70 OK 100 100 - 100 - 3.0=100 HB3 LEU 70 + HG LEU 70 OK 98 98 - 100 - 3.0=100 HG LEU 98 - HG LEU 70 OK 30 99 - 30 - 2.1/2258=6, 3181/2.1=5...(15) HD3 LYS 39 - HG LEU 70 lone 8 99 - 8 - ~1200=1, 2225/3.7=1...(5) HG2 ARG 135 - HG LEU 70 lone 7 100 - 7 - ~4340=1, 2262/2.1=1 HG LEU 48 - HG LEU 70 lone 5 99 - 5 - Peak 2255 from cnoeabs.peaks (1.71, 1.61, 27.00 ppm; 3.05 A): 2 out of 6 assignments used, quality = 1.00: * HB3 LEU 70 + HG LEU 70 OK 100 100 - 100 - 3.0=100 HB2 LEU 70 + HG LEU 70 OK 98 98 - 100 - 3.0=100 HG LEU 98 - HG LEU 70 OK 27 92 - 30 - 2.1/2258=6, 2270/2.1=4...(15) HD3 LYS 39 - HG LEU 70 lone 9 100 - 9 - ~1200=1, 2226/3.7=1...(5) HG2 ARG 135 - HG LEU 70 lone 7 96 - 7 - ~4340=1 HG LEU 48 - HG LEU 70 lone 5 100 - 5 - Peak 2256 from cnoeabs.peaks (1.61, 1.61, 27.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 70 + HG LEU 70 OK 100 100 - 100 Peak 2257 from cnoeabs.peaks (0.82, 1.61, 27.00 ppm; 2.92 A): 1 out of 4 assignments used, quality = 1.00: * QD1 LEU 70 + HG LEU 70 OK 100 100 - 100 - 2.1=100 QG2 ILE 80 - HG LEU 70 OK 24 92 - 26 - 2455/2.1=5, 2273/2.1=4...(15) HG13 ILE 80 - HG LEU 70 OK 24 92 - 26 - 2467/2.1=5, 2273/2.1=4...(14) QG2 ILE 129 - HG LEU 70 OK 17 98 - 17 - 2228/3.7=3, 2273/2.1=3...(8) Peak 2258 from cnoeabs.peaks (0.86, 1.61, 27.00 ppm; 3.37 A): 1 out of 4 assignments used, quality = 1.00: * QD2 LEU 70 + HG LEU 70 OK 100 100 - 100 - 2.1=100 QD1 LEU 98 - HG LEU 70 OK 36 87 - 41 - 2266/2.1=6, 2.1/2254=4...(17) QG2 ILE 32 - HG LEU 70 OK 32 99 - 32 - 2266/2.1=5, 4.0/2259=4...(12) QG2 VAL 57 - HG LEU 70 lone 4 87 - 5 - Peak 2259 from cnoeabs.peaks (8.14, 1.61, 27.00 ppm; 3.88 A): 3 out of 4 assignments used, quality = 0.86: * H ASP 71 + HG LEU 70 OK 72 100 - 72 - 3.4/6949=17, 6965/2.1=15...(11) H ILE 32 + HG LEU 70 OK 35 98 - 36 - 6353/2.1=11, 2267/2.1=7...(8) H VAL 133 + HG LEU 70 OK 25 73 - 34 - 2267/2.1=5, 2275/2.1=4...(12) H ALA 15 - HG LEU 70 lone 8 92 - 8 - 2267/2.1=2, 2275/2.1=2 Peak 2260 from cnoeabs.peaks (8.46, 0.82, 25.52 ppm; 3.69 A): 1 out of 3 assignments used, quality = 0.95: * H LEU 70 + QD1 LEU 70 OK 95 100 - 95 - 4.3=62, 2.9/2261=21...(21) H VAL 132 - QD1 LEU 70 OK 36 81 - 45 - 3.3/11099=13, 2268/2.1=9...(11) H ASP 47 - QD1 LEU 70 lone 5 73 - 7 - 2268/2.1=2, 2223/3.8=1 Peak 2261 from cnoeabs.peaks (3.88, 0.82, 25.52 ppm; 3.68 A): 1 out of 4 assignments used, quality = 0.98: * HA LEU 70 + QD1 LEU 70 OK 98 100 - 98 - 3.8=89, 2269/2.1=31...(14) HA LYS 86 - QD1 LEU 70 OK 20 87 - 23 - 2269/2.1=4, 3.0/11282=3...(9) HB3 SER 50 - QD1 LEU 70 poor 8 81 - 10 - 2269/2.1=3, 6946/4.3=2...(4) HA2 GLY 114 - QD1 LEU 70 lone 8 100 - 8 - 2269/2.1=2, 6946/4.3=1 Peak 2262 from cnoeabs.peaks (1.71, 0.82, 25.52 ppm; 2.94 A): 2 out of 6 assignments used, quality = 0.99: * HB2 LEU 70 + QD1 LEU 70 OK 91 100 - 91 - 3.2=78, 3.0/2261=13...(13) HB3 LEU 70 + QD1 LEU 70 OK 89 98 - 91 - 3.2=78, 3.0/2261=13...(13) HG LEU 98 - QD1 LEU 70 OK 28 99 - 28 - 2.1/2266=5, 3181/2.1=5...(13) HD3 LYS 39 - QD1 LEU 70 lone 8 99 - 8 - 2270/2.1=1, ~1200=1, 2225/3.8=1 HG2 ARG 135 - QD1 LEU 70 lone 7 100 - 7 - HG LEU 48 - QD1 LEU 70 lone 5 99 - 5 - Peak 2263 from cnoeabs.peaks (1.71, 0.82, 25.52 ppm; 2.94 A): 2 out of 6 assignments used, quality = 0.99: * HB3 LEU 70 + QD1 LEU 70 OK 91 100 - 91 - 3.2=78, 3.0/2261=13...(13) HB2 LEU 70 + QD1 LEU 70 OK 89 98 - 91 - 3.2=78, 3.0/2261=13...(13) HG LEU 98 - QD1 LEU 70 OK 25 92 - 28 - 2.1/2266=5, 2270/2.1=4...(13) HD3 LYS 39 - QD1 LEU 70 lone 8 100 - 8 - 2271/2.1=1, 2226/3.8=1...(4) HG2 ARG 135 - QD1 LEU 70 lone 7 96 - 7 - HG LEU 48 - QD1 LEU 70 lone 5 100 - 5 - Peak 2264 from cnoeabs.peaks (1.61, 0.82, 25.52 ppm; 2.98 A): 1 out of 5 assignments used, quality = 1.00: * HG LEU 70 + QD1 LEU 70 OK 100 100 - 100 - 2.1=100 HB2 LEU 122 - QD1 LEU 70 OK 12 98 - 12 - 2272/2.1=3, 2227/3.8=1...(5) HG LEU 122 - QD1 LEU 70 lone 7 81 - 9 - 2272/2.1=2 HB3 LEU 22 - QD1 LEU 70 lone 6 92 - 6 - 2272/2.1=1 HG LEU 22 - QD1 LEU 70 lone 6 92 - 6 - 2272/2.1=1 Peak 2265 from cnoeabs.peaks (0.82, 0.82, 25.52 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 70 + QD1 LEU 70 OK 100 100 - 100 Peak 2266 from cnoeabs.peaks (0.86, 0.82, 25.52 ppm; 2.50 A): 1 out of 4 assignments used, quality = 1.00: * QD2 LEU 70 + QD1 LEU 70 OK 100 100 - 100 - 2.1=100 QD1 LEU 98 - QD1 LEU 70 OK 20 87 - 23 - 2258/2.1=4, 2.1/2262=3...(13) QG2 ILE 32 - QD1 LEU 70 OK 18 99 - 18 - 2258/2.1=3, 2229/3.8=2...(11) QG2 VAL 57 - QD1 LEU 70 lone 2 87 - 3 - Peak 2267 from cnoeabs.peaks (8.14, 0.82, 25.52 ppm; 4.57 A): 2 out of 4 assignments used, quality = 0.95: * H ASP 71 + QD1 LEU 70 OK 91 100 - 91 - 3.6/2261=26, 3.4/2260=25...(14) H ILE 32 + QD1 LEU 70 OK 47 98 - 48 - 6353/2.1=13, 2259/2.1=11...(9) H VAL 133 - QD1 LEU 70 OK 39 73 - 53 - 3.3/2260=10, 2259/2.1=8...(16) H ALA 15 - QD1 LEU 70 OK 13 92 - 14 - 2259/2.1=3, 2275/2.1=2...(7) Peak 2268 from cnoeabs.peaks (8.46, 0.86, 25.01 ppm; 4.02 A): 1 out of 3 assignments used, quality = 0.96: * H LEU 70 + QD2 LEU 70 OK 96 100 - 96 - 4.9=56, 2.9/2269=29...(20) H VAL 132 - QD2 LEU 70 OK 41 81 - 51 - ~10513=12, 2260/2.1=10...(14) H ASP 47 - QD2 LEU 70 poor 8 73 - 11 - 3.7/10953=4, 2223/4.0=2 Peak 2269 from cnoeabs.peaks (3.88, 0.86, 25.01 ppm; 3.23 A): 2 out of 4 assignments used, quality = 0.85: * HA LEU 70 + QD2 LEU 70 OK 83 100 - 83 - 4.0=54, 2261/2.1=19...(11) HA LYS 86 + QD2 LEU 70 OK 11 87 - 12 - 2261/2.1=4, ~9813=2...(7) HB3 SER 50 - QD2 LEU 70 poor 8 81 - 10 - 4.7/11918=4, 2261/2.1=2 HA2 GLY 114 - QD2 LEU 70 lone 5 100 - 5 - 2261/2.1=2 Peak 2270 from cnoeabs.peaks (1.71, 0.86, 25.01 ppm; 2.98 A): 2 out of 6 assignments used, quality = 0.99: * HB2 LEU 70 + QD2 LEU 70 OK 93 100 - 93 - 3.2=82, 3.0/2269=17...(12) HB3 LEU 70 + QD2 LEU 70 OK 91 98 - 93 - 3.2=82, 3.0/2269=17...(12) HG LEU 98 - QD2 LEU 70 OK 36 99 - 36 - 3181=5, 2.1/3197=4...(16) HD3 LYS 39 - QD2 LEU 70 lone 9 99 - 9 - 2262/2.1=1, ~1200=1, 2225/4.0=1 HG2 ARG 135 - QD2 LEU 70 lone 7 100 - 7 - 2262/2.1=1, ~4340=1 HG LEU 48 - QD2 LEU 70 lone 7 99 - 7 - Peak 2271 from cnoeabs.peaks (1.71, 0.86, 25.01 ppm; 2.98 A): 2 out of 6 assignments used, quality = 0.99: * HB3 LEU 70 + QD2 LEU 70 OK 93 100 - 93 - 3.2=82, 3.0/2269=17...(12) HB2 LEU 70 + QD2 LEU 70 OK 91 98 - 93 - 3.2=82, 3.0/2269=17...(12) HG LEU 98 - QD2 LEU 70 OK 32 92 - 35 - 3181=5, 2.1/3197=4...(16) HD3 LYS 39 - QD2 LEU 70 lone 9 100 - 9 - 2263/2.1=1, ~1200=1...(4) HG2 ARG 135 - QD2 LEU 70 lone 7 96 - 7 - ~4340=1 HG LEU 48 - QD2 LEU 70 lone 7 100 - 6 - Peak 2272 from cnoeabs.peaks (1.61, 0.86, 25.01 ppm; 3.21 A): 1 out of 5 assignments used, quality = 1.00: * HG LEU 70 + QD2 LEU 70 OK 100 100 - 100 - 2.1=100 HB2 LEU 122 - QD2 LEU 70 OK 14 98 - 14 - 2264/2.1=3, 2227/4.0=2...(5) HG LEU 122 - QD2 LEU 70 poor 9 81 - 11 - 2264/2.1=2...(3) HB3 LEU 22 - QD2 LEU 70 lone 7 92 - 7 - 2264/2.1=2 HG LEU 22 - QD2 LEU 70 lone 6 92 - 7 - 2264/2.1=2 Peak 2273 from cnoeabs.peaks (0.82, 0.86, 25.01 ppm; 2.50 A): 1 out of 4 assignments used, quality = 1.00: * QD1 LEU 70 + QD2 LEU 70 OK 100 100 - 100 - 2.1=100 QG2 ILE 80 - QD2 LEU 70 OK 18 92 - 19 - 2455/2.1=4, 2257/2.1=3...(7) HG13 ILE 80 - QD2 LEU 70 OK 18 92 - 19 - 2467/2.1=4, 2257/2.1=3...(9) QG2 ILE 129 - QD2 LEU 70 OK 12 98 - 12 - 2257/2.1=2, 2228/4.0=2...(5) Peak 2274 from cnoeabs.peaks (0.86, 0.86, 25.01 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 70 + QD2 LEU 70 OK 100 100 - 100 Peak 2275 from cnoeabs.peaks (8.14, 0.86, 25.01 ppm; 4.85 A): 2 out of 4 assignments used, quality = 0.98: * H ASP 71 + QD2 LEU 70 OK 93 100 - 93 - 3.6/2269=32, 6965=25...(15) H ILE 32 + QD2 LEU 70 OK 66 98 - 67 - 6353=13, 3.0/890=12...(14) H VAL 133 - QD2 LEU 70 OK 40 73 - 55 - 3.3/2268=11, 3.0/11103=9...(13) H ALA 15 - QD2 LEU 70 OK 14 92 - 15 - 2267/2.1=3, 2259/2.1=3...(6) Peak 2276 from cnoeabs.peaks (8.14, 4.42, 57.33 ppm; 3.77 A): 1 out of 4 assignments used, quality = 1.00: * H ASP 71 + HA ASP 71 OK 100 100 - 100 - 2.8=100 H ILE 32 - HA ASP 71 OK 15 98 - 16 - 2285/3.0=4, 2230/4.9=3...(5) H VAL 133 - HA ASP 71 OK 10 73 - 14 - ~6959=2, 2285/3.0=2...(7) H ALA 15 - HA ASP 71 lone 7 92 - 7 - 2291/3.0=2, 6976/3.6=2 Peak 2277 from cnoeabs.peaks (4.42, 4.42, 57.33 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASP 71 + HA ASP 71 OK 100 100 - 100 Peak 2278 from cnoeabs.peaks (2.63, 4.42, 57.33 ppm; 3.48 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASP 71 + HA ASP 71 OK 100 100 - 100 - 3.0=100 HB2 ASN 59 - HA ASP 71 lone 5 65 - 7 - 6967/2.8=2, 6978/3.6=2, ~6958=1 Peak 2279 from cnoeabs.peaks (2.81, 4.42, 57.33 ppm; 3.45 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ASP 71 + HA ASP 71 OK 100 100 - 100 - 3.0=100 HB2 ASN 13 - HA ASP 71 OK 10 100 - 10 - 6968/2.8=3, 2288/3.0=3...(5) HB3 ASN 85 - HA ASP 71 lone 4 73 - 6 - 2288/3.0=1, 6968/2.8=1 Peak 2280 from cnoeabs.peaks (8.32, 4.42, 57.33 ppm; 4.64 A): 1 out of 3 assignments used, quality = 1.00: * H TYR 72 + HA ASP 71 OK 100 100 - 100 - 3.6=100 H GLY 17 - HA ASP 71 OK 17 99 - 17 - 6969/2.8=4, 2296/4.8=3...(6) H ALA 28 - HA ASP 71 OK 10 92 - 11 - 6969/2.8=3, 2295/3.0=2...(4) Peak 2281 from cnoeabs.peaks (8.41, 4.42, 57.33 ppm; 4.44 A): 2 out of 2 assignments used, quality = 0.85: * H SER 74 + HA ASP 71 OK 83 100 - 83 - 7004=41, 6986/3.6=28...(7) H MET 11 + HA ASP 71 OK 14 87 - 16 - 6986/3.6=4, ~2286=2...(7) Peak 2282 from cnoeabs.peaks (4.07, 4.42, 57.33 ppm; 3.74 A): 2 out of 3 assignments used, quality = 0.67: * HB2 SER 74 + HA ASP 71 OK 42 100 - 43 - 2341=18, 3.9/7004=18 HB3 SER 74 + HA ASP 71 OK 42 100 - 43 - 2347=18, 3.9/7004=18 HB THR 65 - HA ASP 71 lone 1 99 - 1 - Peak 2283 from cnoeabs.peaks (4.07, 4.42, 57.33 ppm; 3.74 A): 2 out of 3 assignments used, quality = 0.67: * HB3 SER 74 + HA ASP 71 OK 42 100 - 43 - 2347=18, 3.9/7004=18 HB2 SER 74 + HA ASP 71 OK 42 100 - 43 - 2341=18, 3.9/7004=18 HB THR 65 - HA ASP 71 lone 1 98 - 1 - Peak 2284 from cnoeabs.peaks (3.99, 2.63, 39.26 ppm; 4.45 A): 2 out of 4 assignments used, quality = 0.84: * HA GLN 68 + HB2 ASP 71 OK 81 100 - 81 - 2128=48, 2129/1.8=35...(6) HA SER 50 + HB2 ASP 71 OK 15 98 - 16 - 6956/4.0=6, 2290/1.8=6 HA VAL 20 - HB2 ASP 71 lone 9 98 - 9 - 2290/1.8=3, 6956/4.0=2 HB2 SER 124 - HB2 ASP 71 lone 8 99 - 8 - 2290/1.8=3, 6956/4.0=2 Peak 2285 from cnoeabs.peaks (8.14, 2.63, 39.26 ppm; 3.79 A): 1 out of 4 assignments used, quality = 0.94: * H ASP 71 + HB2 ASP 71 OK 94 100 - 94 - 4.0=84, 6968/1.8=36...(7) H ILE 32 - HB2 ASP 71 OK 18 98 - 18 - 4.8/10848=9, 2291/1.8=4...(4) H VAL 133 - HB2 ASP 71 OK 10 73 - 14 - 4.0/10570=7, 2276/3.0=2...(4) H ALA 15 - HB2 ASP 71 lone 6 92 - 6 - 2291/1.8=2, 2276/3.0=1 Peak 2286 from cnoeabs.peaks (4.42, 2.63, 39.26 ppm; 3.71 A): 1 out of 6 assignments used, quality = 1.00: * HA ASP 71 + HB2 ASP 71 OK 100 100 - 100 - 3.0=100 HA MET 11 - HB2 ASP 71 OK 11 81 - 13 - 3.6/11120=4, 2292/1.8=3...(5) HA VAL 112 - HB2 ASP 71 lone 4 87 - 4 - 2292/1.8=1 HA HIS 5 - HB2 ASP 71 lone 2 92 - 2 - HA THR 54 - HB2 ASP 71 lone 1 73 - 2 - HA ASN 120 - HB2 ASP 71 lone 1 65 - 1 - Peak 2287 from cnoeabs.peaks (2.63, 2.63, 39.26 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 71 + HB2 ASP 71 OK 100 100 - 100 Peak 2288 from cnoeabs.peaks (2.81, 2.63, 39.26 ppm; 3.17 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ASP 71 + HB2 ASP 71 OK 100 100 - 100 - 1.8=100 HB2 ASN 13 - HB2 ASP 71 OK 12 100 - 11 - 4.1/11120=2, 2279/3.0=2...(7) HB3 ASN 85 - HB2 ASP 71 lone 4 73 - 5 - ~2599=1 Peak 2289 from cnoeabs.peaks (8.32, 2.63, 39.26 ppm; 4.44 A): 1 out of 3 assignments used, quality = 0.98: * H TYR 72 + HB2 ASP 71 OK 98 100 - 98 - 4.6=91, 6979/1.8=38...(7) H GLY 17 - HB2 ASP 71 OK 11 99 - 11 - 2280/3.0=4, 2295/1.8=4 H ALA 28 - HB2 ASP 71 lone 7 92 - 8 - 2295/1.8=3, 2280/3.0=2 Peak 2290 from cnoeabs.peaks (3.99, 2.81, 39.26 ppm; 4.20 A): 2 out of 4 assignments used, quality = 0.80: * HA GLN 68 + HB3 ASP 71 OK 77 100 - 77 - 2129=40, 2128/1.8=35...(5) HA SER 50 + HB3 ASP 71 OK 15 98 - 15 - 6956/4.0=5, 2284/1.8=5...(4) HA VAL 20 - HB3 ASP 71 lone 8 98 - 8 - 2284/1.8=3, 6956/4.0=2 HB2 SER 124 - HB3 ASP 71 lone 8 99 - 8 - 2284/1.8=3, 6956/4.0=2 Peak 2291 from cnoeabs.peaks (8.14, 2.81, 39.26 ppm; 3.73 A): 2 out of 4 assignments used, quality = 0.94: * H ASP 71 + HB3 ASP 71 OK 93 100 - 93 - 4.0=80, 6967/1.8=36...(8) H ILE 32 + HB3 ASP 71 OK 11 98 - 12 - 2285/1.8=5, 2276/3.0=3 H ALA 15 - HB3 ASP 71 lone 7 92 - 7 - 4.6/6107=2, 2285/1.8=2...(4) H VAL 133 - HB3 ASP 71 lone 6 73 - 8 - 2285/1.8=3, 2276/3.0=2 Peak 2292 from cnoeabs.peaks (4.42, 2.81, 39.26 ppm; 3.93 A): 1 out of 6 assignments used, quality = 1.00: * HA ASP 71 + HB3 ASP 71 OK 100 100 - 100 - 3.0=100 HA MET 11 - HB3 ASP 71 poor 10 81 - 12 - 2286/1.8=4, 6977/4.6=2...(4) HA VAL 112 - HB3 ASP 71 lone 4 87 - 4 - 2286/1.8=1 HA HIS 5 - HB3 ASP 71 lone 2 92 - 2 - HA THR 54 - HB3 ASP 71 lone 2 73 - 2 - HA ASN 120 - HB3 ASP 71 lone 1 65 - 2 - Peak 2293 from cnoeabs.peaks (2.63, 2.81, 39.26 ppm; 3.17 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASP 71 + HB3 ASP 71 OK 100 100 - 100 - 1.8=100 HB2 ASN 59 - HB3 ASP 71 lone 3 65 - 5 - 6978/4.6=1, 6967/4.0=1 Peak 2294 from cnoeabs.peaks (2.81, 2.81, 39.26 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 71 + HB3 ASP 71 OK 100 100 - 100 Peak 2295 from cnoeabs.peaks (8.32, 2.81, 39.26 ppm; 4.31 A): 1 out of 3 assignments used, quality = 0.96: * H TYR 72 + HB3 ASP 71 OK 96 100 - 96 - 4.6=83, 6978/1.8=36...(8) H GLY 17 - HB3 ASP 71 OK 10 99 - 10 - 2280/3.0=4, 2289/1.8=4 H ALA 28 - HB3 ASP 71 lone 7 92 - 7 - 2289/1.8=2, 2280/3.0=2 Peak 2296 from cnoeabs.peaks (8.32, 4.55, 60.48 ppm; 5.16 A): 1 out of 3 assignments used, quality = 1.00: * H TYR 72 + HA TYR 72 OK 100 100 - 100 - 2.9=100 H GLY 17 - HA TYR 72 OK 23 99 - 23 - 2312/3.0=5, 2304/3.0=5...(7) H ALA 28 - HA TYR 72 OK 14 92 - 15 - 2312/3.0=3, 2304/3.0=3...(6) Peak 2297 from cnoeabs.peaks (4.55, 4.55, 60.48 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA TYR 72 + HA TYR 72 OK 100 100 - 100 Peak 2298 from cnoeabs.peaks (3.02, 4.55, 60.48 ppm; 4.44 A): 1 out of 2 assignments used, quality = 1.00: * HB2 TYR 72 + HA TYR 72 OK 100 100 - 100 - 3.0=100 HB2 HIS 3 - HA TYR 72 OK 18 99 - 18 - 2314/3.0=5, 6981/2.9=4...(6) Peak 2299 from cnoeabs.peaks (3.34, 4.55, 60.48 ppm; 4.40 A): 2 out of 3 assignments used, quality = 1.00: * HB3 TYR 72 + HA TYR 72 OK 100 100 - 100 - 3.0=100 HB2 HIS 67 + HA TYR 72 OK 47 99 - 47 - 2307/3.0=10, 6982/2.9=9...(9) HB3 PHE 89 - HA TYR 72 OK 14 81 - 18 - 6995/3.6=4, 2307/3.0=3...(7) Peak 2300 from cnoeabs.peaks (7.15, 4.55, 60.48 ppm; 3.82 A): 1 out of 2 assignments used, quality = 1.00: * QD TYR 72 + HA TYR 72 OK 100 100 - 100 - 3.4=100 HD2 HIS 67 - HA TYR 72 OK 27 96 - 28 - 6983/2.9=7, 2316/3.0=6...(6) Peak 2302 from cnoeabs.peaks (8.85, 4.55, 60.48 ppm; 5.62 A): 1 out of 1 assignment used, quality = 1.00: * H CYS 73 + HA TYR 72 OK 100 100 - 100 - 3.6=100 Peak 2303 from cnoeabs.peaks (4.33, 3.02, 37.59 ppm; 6.80 A): 4 out of 4 assignments used, quality = 0.93: * HA LEU 69 + HB2 TYR 72 OK 86 100 - 86 - 2176/3.8=40...(7) HA ASN 59 + HB2 TYR 72 OK 31 98 - 32 - 2311/1.8=8, 6988/4.4=7...(7) HA LYS 24 + HB2 TYR 72 OK 19 96 - 20 - 2311/1.8=6, 6988/4.4=4...(5) HA PRO 81 + HB2 TYR 72 OK 14 87 - 16 - 2311/1.8=4, 9531/2.7=3...(5) Peak 2304 from cnoeabs.peaks (8.32, 3.02, 37.59 ppm; 5.00 A): 1 out of 3 assignments used, quality = 1.00: * H TYR 72 + HB2 TYR 72 OK 100 100 - 100 - 3.8=100 H GLY 17 - HB2 TYR 72 OK 17 99 - 16 - 2296/3.0=5, 2312/1.8=5...(4) H ALA 28 - HB2 TYR 72 lone 9 92 - 9 - 2296/3.0=3, 2312/1.8=3 Peak 2305 from cnoeabs.peaks (4.55, 3.02, 37.59 ppm; 5.07 A): 1 out of 1 assignment used, quality = 1.00: * HA TYR 72 + HB2 TYR 72 OK 100 100 - 100 - 3.0=100 Peak 2306 from cnoeabs.peaks (3.02, 3.02, 37.59 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 72 + HB2 TYR 72 OK 100 100 - 100 Peak 2307 from cnoeabs.peaks (3.34, 3.02, 37.59 ppm; 4.48 A): 2 out of 3 assignments used, quality = 1.00: * HB3 TYR 72 + HB2 TYR 72 OK 100 100 - 100 - 1.8=100 HB2 HIS 67 + HB2 TYR 72 OK 53 99 - 54 - 2299/3.0=9, 2107/2.7=9...(11) HB3 PHE 89 - HB2 TYR 72 OK 15 81 - 18 - ~2769=4, 6995/4.4=3...(7) Peak 2308 from cnoeabs.peaks (7.15, 3.02, 37.59 ppm; 4.87 A): 1 out of 2 assignments used, quality = 1.00: * QD TYR 72 + HB2 TYR 72 OK 100 100 - 100 - 2.7=100 HD2 HIS 67 - HB2 TYR 72 OK 42 96 - 43 - 2316/1.8=13, 4.0/2307=10...(7) Peak 2310 from cnoeabs.peaks (8.85, 3.02, 37.59 ppm; 5.32 A): 1 out of 1 assignment used, quality = 1.00: * H CYS 73 + HB2 TYR 72 OK 100 100 - 100 - 4.4=100 Peak 2311 from cnoeabs.peaks (4.33, 3.34, 37.59 ppm; 6.80 A): 4 out of 4 assignments used, quality = 0.95: * HA LEU 69 + HB3 TYR 72 OK 89 100 - 89 - 2176/3.8=40...(8) HA ASN 59 + HB3 TYR 72 OK 30 98 - 30 - 2303/1.8=9, 6988/4.4=7...(6) HA LYS 24 + HB3 TYR 72 OK 20 96 - 21 - 2303/1.8=5, 6988/4.4=4...(5) HA PRO 81 + HB3 TYR 72 OK 15 87 - 17 - 2303/1.8=4, 9531/2.7=3...(5) Peak 2312 from cnoeabs.peaks (8.32, 3.34, 37.59 ppm; 5.32 A): 1 out of 3 assignments used, quality = 1.00: * H TYR 72 + HB3 TYR 72 OK 100 100 - 100 - 3.8=100 H GLY 17 - HB3 TYR 72 OK 19 99 - 19 - 2296/3.0=6, 2304/1.8=6...(4) H ALA 28 - HB3 TYR 72 OK 10 92 - 11 - 2296/3.0=4, 2304/1.8=3 Peak 2313 from cnoeabs.peaks (4.55, 3.34, 37.59 ppm; 4.97 A): 1 out of 1 assignment used, quality = 1.00: * HA TYR 72 + HB3 TYR 72 OK 100 100 - 100 - 3.0=100 Peak 2314 from cnoeabs.peaks (3.02, 3.34, 37.59 ppm; 4.40 A): 1 out of 2 assignments used, quality = 1.00: * HB2 TYR 72 + HB3 TYR 72 OK 100 100 - 100 - 1.8=100 HB2 HIS 3 - HB3 TYR 72 OK 18 99 - 17 - 2298/3.0=5, 6981/3.8=4...(6) Peak 2315 from cnoeabs.peaks (3.34, 3.34, 37.59 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 TYR 72 + HB3 TYR 72 OK 100 100 - 100 Peak 2316 from cnoeabs.peaks (7.15, 3.34, 37.59 ppm; 5.18 A): 2 out of 2 assignments used, quality = 1.00: * QD TYR 72 + HB3 TYR 72 OK 100 100 - 100 - 2.7=100 HD2 HIS 67 + HB3 TYR 72 OK 57 96 - 59 - 5502=16, 2308/1.8=13...(9) Peak 2318 from cnoeabs.peaks (8.85, 3.34, 37.59 ppm; 5.47 A): 1 out of 1 assignment used, quality = 1.00: * H CYS 73 + HB3 TYR 72 OK 100 100 - 100 - 4.4=100 Peak 2319 from cnoeabs.peaks (8.85, 4.38, 64.37 ppm; 5.09 A): 1 out of 1 assignment used, quality = 1.00: * H CYS 73 + HA CYS 73 OK 100 100 - 100 - 2.9=100 Peak 2320 from cnoeabs.peaks (4.38, 4.38, 64.37 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA CYS 73 + HA CYS 73 OK 100 100 - 100 Peak 2321 from cnoeabs.peaks (2.75, 4.38, 64.37 ppm; 4.04 A): 1 out of 3 assignments used, quality = 1.00: * HB2 CYS 73 + HA CYS 73 OK 100 100 - 100 - 3.0=100 HB3 ASP 35 - HA CYS 73 OK 11 99 - 11 - 7009/3.6=3, 2333/3.0=3 HB2 ASP 64 - HA CYS 73 lone 9 98 - 9 - 2333/3.0=2, 6999/2.9=2 Peak 2322 from cnoeabs.peaks (3.32, 4.38, 64.37 ppm; 5.63 A): 2 out of 2 assignments used, quality = 1.00: * HB3 CYS 73 + HA CYS 73 OK 100 100 - 100 - 3.0=100 HB2 PHE 89 + HA CYS 73 OK 53 81 - 65 - 4.5/11124=33...(9) Peak 2323 from cnoeabs.peaks (8.41, 4.38, 64.37 ppm; 5.39 A): 1 out of 2 assignments used, quality = 1.00: * H SER 74 + HA CYS 73 OK 100 100 - 100 - 3.6=100 H MET 11 - HA CYS 73 poor 10 87 - 11 - 7001/2.9=4, ~6991=3, 2335/3.0=2 Peak 2325 from cnoeabs.peaks (8.85, 2.75, 27.55 ppm; 5.42 A): 1 out of 1 assignment used, quality = 1.00: * H CYS 73 + HB2 CYS 73 OK 100 100 - 100 - 3.8=100 Peak 2326 from cnoeabs.peaks (4.38, 2.75, 27.55 ppm; 5.64 A): 2 out of 4 assignments used, quality = 1.00: * HA CYS 73 + HB2 CYS 73 OK 100 100 - 100 - 3.0=100 HA ASP 78 + HB2 CYS 73 OK 58 100 - 58 - ~11125=26, 2332/1.8=13...(8) HA SER 107 - HB2 CYS 73 OK 18 98 - 18 - 2332/1.8=4, 10115/9572=3...(7) HA SER 9 - HB2 CYS 73 lone 2 65 - 3 - Peak 2327 from cnoeabs.peaks (2.75, 2.75, 27.55 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 CYS 73 + HB2 CYS 73 OK 100 100 - 100 Peak 2328 from cnoeabs.peaks (3.32, 2.75, 27.55 ppm; 5.08 A): 1 out of 2 assignments used, quality = 1.00: * HB3 CYS 73 + HB2 CYS 73 OK 100 100 - 100 - 1.8=100 HB2 PHE 89 - HB2 CYS 73 OK 27 81 - 34 - 2322/3.0=10, ~2777=7...(7) Peak 2330 from cnoeabs.peaks (3.88, 3.32, 27.55 ppm; 6.80 A): 2 out of 4 assignments used, quality = 0.97: * HA LEU 70 + HB3 CYS 73 OK 95 100 - 95 - 2231/3.8=46, 2233=44...(8) HA LYS 86 + HB3 CYS 73 OK 44 87 - 51 - ~9536=31, 6989/3.8=9...(9) HA2 GLY 114 - HB3 CYS 73 lone 9 100 - 9 - 6989/3.8=2, 7003/4.4=2 HB3 SER 50 - HB3 CYS 73 poor 8 81 - 10 - 6989/3.8=3...(3) Peak 2331 from cnoeabs.peaks (8.85, 3.32, 27.55 ppm; 5.46 A): 1 out of 1 assignment used, quality = 1.00: * H CYS 73 + HB3 CYS 73 OK 100 100 - 100 - 3.8=100 Peak 2332 from cnoeabs.peaks (4.38, 3.32, 27.55 ppm; 5.71 A): 2 out of 4 assignments used, quality = 1.00: * HA CYS 73 + HB3 CYS 73 OK 100 100 - 100 - 3.0=100 HA ASP 78 + HB3 CYS 73 OK 57 100 - 58 - ~11125=26, 2326/1.8=14...(7) HA SER 107 - HB3 CYS 73 OK 18 98 - 19 - 2326/1.8=4, 6998/3.8=3...(8) HA SER 9 - HB3 CYS 73 lone 2 65 - 3 - Peak 2333 from cnoeabs.peaks (2.75, 3.32, 27.55 ppm; 4.67 A): 1 out of 3 assignments used, quality = 1.00: * HB2 CYS 73 + HB3 CYS 73 OK 100 100 - 100 - 1.8=100 HB3 ASP 35 - HB3 CYS 73 OK 14 99 - 13 - 2321/3.0=3, 7009/4.4=3...(5) HB2 ASP 64 - HB3 CYS 73 OK 12 98 - 12 - 2321/3.0=3, 6999/3.8=2...(6) Peak 2334 from cnoeabs.peaks (3.32, 3.32, 27.55 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 CYS 73 + HB3 CYS 73 OK 100 100 - 100 Peak 2335 from cnoeabs.peaks (8.41, 3.32, 27.55 ppm; 5.83 A): 1 out of 2 assignments used, quality = 1.00: * H SER 74 + HB3 CYS 73 OK 100 100 - 100 - 4.4=100 H MET 11 - HB3 CYS 73 lone 8 87 - 9 - 7001/3.8=4, 2323/3.0=4 Peak 2336 from cnoeabs.peaks (8.41, 4.29, 61.42 ppm; 2.90 A): 1 out of 2 assignments used, quality = 0.99: * H SER 74 + HA SER 74 OK 99 100 - 99 - 2.9=98, 7016/3.6=14...(5) H MET 11 - HA SER 74 lone 3 87 - 3 - Peak 2337 from cnoeabs.peaks (4.29, 4.29, 61.42 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 74 + HA SER 74 OK 100 100 - 100 Peak 2338 from cnoeabs.peaks (4.07, 4.29, 61.42 ppm; 3.28 A): 2 out of 3 assignments used, quality = 1.00: * HB2 SER 74 + HA SER 74 OK 100 100 - 100 - 3.0=100 HB3 SER 74 + HA SER 74 OK 100 100 - 100 - 3.0=100 HB THR 65 - HA SER 74 lone 3 99 - 3 - ~2061=1 Peak 2339 from cnoeabs.peaks (4.07, 4.29, 61.42 ppm; 3.28 A): 2 out of 3 assignments used, quality = 1.00: * HB3 SER 74 + HA SER 74 OK 100 100 - 100 - 3.0=100 HB2 SER 74 + HA SER 74 OK 100 100 - 100 - 3.0=100 HB THR 65 - HA SER 74 lone 3 98 - 3 - ~2061=1 Peak 2340 from cnoeabs.peaks (7.79, 4.29, 61.42 ppm; 4.01 A): 1 out of 3 assignments used, quality = 1.00: * H GLY 75 + HA SER 74 OK 100 100 - 100 - 3.6=100 HD22 ASN 59 - HA SER 74 lone 8 92 - 9 - 7014/2.9=3, 2353/4.9=2 HD22 ASN 121 - HA SER 74 lone 1 57 - 1 - Peak 2341 from cnoeabs.peaks (4.42, 4.07, 62.61 ppm; 3.98 A): 2 out of 12 assignments used, quality = 0.77: * HA ASP 71 + HB2 SER 74 OK 52 100 - 52 - 2282=25, 2283/1.8=20 HA ASP 71 + HB3 SER 74 OK 52 99 - 52 - 2282=25, 2282/1.8=20 HA MET 11 - HB2 SER 74 lone 5 81 - 5 - 7004/3.9=3 HA MET 11 - HB3 SER 74 lone 4 79 - 5 - 7004/3.9=3 HA VAL 112 - HB2 SER 74 lone 1 87 - 2 - HA VAL 112 - HB3 SER 74 lone 1 85 - 2 - HA HIS 5 - HB2 SER 74 lone 1 92 - 1 - HA HIS 5 - HB3 SER 74 lone 1 90 - 1 - HA THR 54 - HB2 SER 74 lone 1 73 - 1 - HA ASN 120 - HB2 SER 74 lone 1 65 - 1 - HA THR 54 - HB3 SER 74 lone 1 71 - 1 - HA ASN 120 - HB3 SER 74 lone 1 64 - 1 - Peak 2342 from cnoeabs.peaks (8.41, 4.07, 62.61 ppm; 3.42 A): 2 out of 4 assignments used, quality = 0.98: * H SER 74 + HB2 SER 74 OK 86 100 - 86 - 3.9=69, 2336/3.0=30...(5) H SER 74 + HB3 SER 74 OK 85 99 - 86 - 3.9=69, 2336/3.0=30...(5) H MET 11 - HB2 SER 74 lone 4 87 - 4 - H MET 11 - HB3 SER 74 lone 4 85 - 4 - Peak 2343 from cnoeabs.peaks (4.29, 4.07, 62.61 ppm; 3.24 A): 2 out of 18 assignments used, quality = 1.00: * HA SER 74 + HB2 SER 74 OK 100 100 - 100 - 3.0=100 HA SER 74 + HB3 SER 74 OK 99 99 - 100 - 3.0=100 HA ALA 15 - HB2 SER 74 lone 2 87 - 2 - 7011/3.9=2 HA ALA 15 - HB3 SER 74 lone 2 85 - 2 - 7011/3.9=2 HA THR 25 - HB2 SER 74 lone 2 100 - 2 - 7017/4.6=1 HA THR 25 - HB3 SER 74 lone 2 99 - 2 - 7017/4.6=1 HA GLN 61 - HB2 SER 74 lone 2 57 - 3 - 4.9/1970=2 HA GLN 61 - HB3 SER 74 lone 2 56 - 3 - 4.9/1970=1 HA THR 18 - HB2 SER 74 lone 1 100 - 1 - HA THR 18 - HB3 SER 74 lone 1 99 - 1 - HA ARG 23 - HB2 SER 74 lone 1 92 - 1 - HA ARG 23 - HB3 SER 74 lone 1 90 - 1 - HA ALA 21 - HB2 SER 74 lone 1 100 - 1 - HA ALA 21 - HB3 SER 74 lone 1 99 - 1 - HA ALA 12 - HB2 SER 74 lone 0 87 - 1 - HA ALA 12 - HB3 SER 74 lone 0 85 - 1 - HA ALA 110 - HB2 SER 74 lone 0 81 - 0 - HA ALA 110 - HB3 SER 74 lone 0 79 - 0 - Peak 2344 from cnoeabs.peaks (4.07, 4.07, 62.61 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 SER 74 + HB2 SER 74 OK 100 100 - 100 HB3 SER 74 + HB3 SER 74 OK 99 99 - 100 Peak 2345 from cnoeabs.peaks (4.07, 4.07, 62.61 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB2 SER 74 + HB2 SER 74 OK 100 100 - 100 HB3 SER 74 + HB3 SER 74 OK 99 99 - 100 Reference assignment not found: HB3 SER 74 - HB2 SER 74 Peak 2346 from cnoeabs.peaks (7.79, 4.07, 62.61 ppm; 4.10 A): 2 out of 6 assignments used, quality = 0.99: * H GLY 75 + HB2 SER 74 OK 89 100 - 89 - 4.6=70, 7017/3.0=31...(7) H GLY 75 + HB3 SER 74 OK 89 99 - 89 - 4.6=70, 7017/3.0=31...(7) HD22 ASN 59 - HB2 SER 74 lone 6 92 - 7 - 2340/3.0=2, 7014/3.9=2 HD22 ASN 59 - HB3 SER 74 lone 6 90 - 7 - 2340/3.0=2, 7014/3.9=2 HD22 ASN 121 - HB2 SER 74 lone 1 57 - 1 - HD22 ASN 121 - HB3 SER 74 lone 1 56 - 1 - Peak 2347 from cnoeabs.peaks (4.42, 4.07, 62.61 ppm; 3.98 A): 2 out of 12 assignments used, quality = 0.77: * HA ASP 71 + HB3 SER 74 OK 52 100 - 52 - 2283=25, 2282/1.8=20 HA ASP 71 + HB2 SER 74 OK 52 99 - 52 - 2283=25, 2283/1.8=20 HA MET 11 - HB3 SER 74 lone 5 81 - 5 - 7004/3.9=3 HA MET 11 - HB2 SER 74 lone 4 79 - 5 - 7004/3.9=3 HA VAL 112 - HB3 SER 74 lone 1 87 - 2 - HA VAL 112 - HB2 SER 74 lone 1 85 - 2 - HA HIS 5 - HB3 SER 74 lone 1 92 - 1 - HA HIS 5 - HB2 SER 74 lone 1 90 - 1 - HA THR 54 - HB3 SER 74 lone 1 73 - 1 - HA ASN 120 - HB3 SER 74 lone 1 65 - 1 - HA THR 54 - HB2 SER 74 lone 1 71 - 1 - HA ASN 120 - HB2 SER 74 lone 1 64 - 1 - Peak 2348 from cnoeabs.peaks (8.41, 4.07, 62.61 ppm; 3.42 A): 2 out of 4 assignments used, quality = 0.98: * H SER 74 + HB3 SER 74 OK 86 100 - 86 - 3.9=69, 2336/3.0=30...(5) H SER 74 + HB2 SER 74 OK 85 99 - 86 - 3.9=69, 2336/3.0=30...(5) H MET 11 - HB3 SER 74 lone 4 87 - 4 - H MET 11 - HB2 SER 74 lone 4 85 - 4 - Peak 2349 from cnoeabs.peaks (4.29, 4.07, 62.61 ppm; 3.24 A): 2 out of 18 assignments used, quality = 1.00: * HA SER 74 + HB3 SER 74 OK 100 100 - 100 - 3.0=100 HA SER 74 + HB2 SER 74 OK 99 99 - 100 - 3.0=100 HA ALA 15 - HB3 SER 74 lone 2 87 - 2 - 7011/3.9=2 HA ALA 15 - HB2 SER 74 lone 2 85 - 2 - 7011/3.9=2 HA THR 25 - HB3 SER 74 lone 2 100 - 2 - 7017/4.6=1 HA THR 25 - HB2 SER 74 lone 2 99 - 2 - 7017/4.6=1 HA GLN 61 - HB3 SER 74 lone 2 57 - 3 - 4.9/1970=1 HA GLN 61 - HB2 SER 74 lone 2 56 - 3 - 4.9/1970=1 HA THR 18 - HB3 SER 74 lone 1 100 - 1 - HA THR 18 - HB2 SER 74 lone 1 99 - 1 - HA ARG 23 - HB3 SER 74 lone 1 92 - 1 - HA ARG 23 - HB2 SER 74 lone 1 90 - 1 - HA ALA 21 - HB3 SER 74 lone 1 100 - 1 - HA ALA 21 - HB2 SER 74 lone 1 99 - 1 - HA ALA 12 - HB3 SER 74 lone 0 87 - 1 - HA ALA 12 - HB2 SER 74 lone 0 85 - 1 - HA ALA 110 - HB3 SER 74 lone 0 81 - 0 - HA ALA 110 - HB2 SER 74 lone 0 79 - 0 - Peak 2350 from cnoeabs.peaks (4.07, 4.07, 62.61 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 SER 74 + HB3 SER 74 OK 100 100 - 100 HB2 SER 74 + HB2 SER 74 OK 99 99 - 100 Reference assignment not found: HB2 SER 74 - HB3 SER 74 Peak 2351 from cnoeabs.peaks (4.07, 4.07, 62.61 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 SER 74 + HB3 SER 74 OK 100 100 - 100 HB2 SER 74 + HB2 SER 74 OK 99 99 - 100 Peak 2352 from cnoeabs.peaks (7.79, 4.07, 62.61 ppm; 4.10 A): 2 out of 6 assignments used, quality = 0.99: * H GLY 75 + HB3 SER 74 OK 89 100 - 90 - 4.6=70, 7017/3.0=31...(7) H GLY 75 + HB2 SER 74 OK 89 99 - 90 - 4.6=70, 7017/3.0=31...(7) HD22 ASN 59 - HB3 SER 74 lone 6 92 - 7 - 2340/3.0=2, 7014/3.9=2 HD22 ASN 59 - HB2 SER 74 lone 6 90 - 7 - 2340/3.0=2, 7014/3.9=2 HD22 ASN 121 - HB3 SER 74 lone 1 57 - 1 - HD22 ASN 121 - HB2 SER 74 lone 1 56 - 1 - Peak 2353 from cnoeabs.peaks (7.79, 4.32, 45.60 ppm; 3.79 A): 1 out of 3 assignments used, quality = 1.00: * H GLY 75 + HA2 GLY 75 OK 100 100 - 100 - 2.9=100 HD22 ASN 59 - HA2 GLY 75 lone 9 92 - 10 - 2357/1.8=3, 7024/3.5=2...(6) HD22 ASN 121 - HA2 GLY 75 lone 1 57 - 2 - Peak 2354 from cnoeabs.peaks (4.32, 4.32, 45.60 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 75 + HA2 GLY 75 OK 100 100 - 100 Peak 2355 from cnoeabs.peaks (3.90, 4.32, 45.60 ppm; 3.25 A): 1 out of 7 assignments used, quality = 1.00: * HA3 GLY 75 + HA2 GLY 75 OK 100 100 - 100 - 1.8=100 HA ALA 46 - HA2 GLY 75 lone 4 73 - 5 - 7026/3.5=2, 7021/2.9=1 HB3 SER 60 - HA2 GLY 75 lone 2 92 - 3 - 7026/3.5=1 HB2 SER 60 - HA2 GLY 75 lone 2 92 - 3 - 7026/3.5=1 HB2 SER 94 - HA2 GLY 75 lone 2 100 - 2 - HA ALA 41 - HA2 GLY 75 lone 1 87 - 1 - HB2 SER 33 - HA2 GLY 75 lone 1 73 - 1 - Peak 2356 from cnoeabs.peaks (8.04, 4.32, 45.60 ppm; 4.78 A): 2 out of 5 assignments used, quality = 1.00: * H TYR 76 + HA2 GLY 75 OK 100 100 - 100 - 3.5=100 H CYS 79 + HA2 GLY 75 OK 58 100 - 58 - 11162=24, 11162/4.9=11...(9) H LEU 48 - HA2 GLY 75 OK 15 99 - 15 - 2361/4.9=4, 2360/1.8=4...(5) H CYS 125 - HA2 GLY 75 lone 9 100 - 8 - 2360/1.8=2, 2368/4.9=1...(5) H SER 130 - HA2 GLY 75 lone 5 73 - 7 - 2361/4.9=1 Peak 2357 from cnoeabs.peaks (7.79, 3.90, 45.60 ppm; 3.80 A): 1 out of 3 assignments used, quality = 1.00: * H GLY 75 + HA3 GLY 75 OK 100 100 - 100 - 2.9=100 HD22 ASN 59 - HA3 GLY 75 lone 7 92 - 8 - 2353/1.8=3, 7024/3.5=2...(4) HD22 ASN 121 - HA3 GLY 75 lone 1 57 - 2 - Peak 2358 from cnoeabs.peaks (4.32, 3.90, 45.60 ppm; 3.28 A): 1 out of 3 assignments used, quality = 1.00: * HA2 GLY 75 + HA3 GLY 75 OK 100 100 - 100 - 1.8=100 HA TYR 76 - HA3 GLY 75 OK 41 87 - 47 - 4.9=29, ~7025=7...(6) HA ASP 131 - HA3 GLY 75 poor 7 57 - 13 - ~9586=6, 7027/3.5=2...(4) Peak 2359 from cnoeabs.peaks (3.90, 3.90, 45.60 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 75 + HA3 GLY 75 OK 100 100 - 100 Peak 2360 from cnoeabs.peaks (8.04, 3.90, 45.60 ppm; 5.02 A): 1 out of 5 assignments used, quality = 1.00: * H TYR 76 + HA3 GLY 75 OK 100 100 - 100 - 3.5=100 H CYS 79 - HA3 GLY 75 OK 45 100 - 45 - 11162/1.8=21...(5) H LEU 48 - HA3 GLY 75 OK 19 99 - 19 - 2361/4.9=5, 2356/1.8=3...(7) H CYS 125 - HA3 GLY 75 lone 9 100 - 9 - 2356/1.8=2, 2368/4.9=2...(5) H SER 130 - HA3 GLY 75 lone 5 73 - 6 - 2361/4.9=1, 2356/1.8=1 Peak 2361 from cnoeabs.peaks (8.04, 4.31, 59.97 ppm; 4.04 A): 2 out of 5 assignments used, quality = 1.00: * H TYR 76 + HA TYR 76 OK 100 100 - 100 - 3.0=100 H CYS 79 + HA TYR 76 OK 55 100 - 55 - 11162=13, 4.6/7048=13...(10) H LEU 48 - HA TYR 76 OK 34 99 - 34 - 4.7/11136=17...(8) H CYS 125 - HA TYR 76 OK 10 100 - 10 - 2368/3.0=1, 2375/3.0=1...(4) H SER 130 - HA TYR 76 poor 9 73 - 12 - 4.5/7902=3...(3) Peak 2362 from cnoeabs.peaks (4.31, 4.31, 59.97 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA TYR 76 + HA TYR 76 OK 100 100 - 100 Peak 2363 from cnoeabs.peaks (2.76, 4.31, 59.97 ppm; 4.70 A): 1 out of 3 assignments used, quality = 1.00: * HB2 TYR 76 + HA TYR 76 OK 100 100 - 100 - 3.0=100 HB2 ASP 64 - HA TYR 76 lone 7 73 - 9 - 2377/3.0=2, 7037/3.6=2...(4) HB3 ASP 35 - HA TYR 76 lone 4 65 - 5 - 7037/3.6=1, 2377/3.0=1 Peak 2364 from cnoeabs.peaks (3.13, 4.31, 59.97 ppm; 4.05 A): 1 out of 3 assignments used, quality = 1.00: * HB3 TYR 76 + HA TYR 76 OK 100 100 - 100 - 3.0=100 HB3 CYS 45 - HA TYR 76 OK 31 100 - 32 - 7029/3.0=7, 2371/3.0=6...(9) HB2 HIS 8 - HA TYR 76 lone 7 96 - 7 - 2371/3.0=2, 7029/3.0=2...(4) Peak 2365 from cnoeabs.peaks (6.50, 4.31, 59.97 ppm; 3.77 A): 1 out of 1 assignment used, quality = 1.00: * QD TYR 76 + HA TYR 76 OK 100 100 - 100 - 3.1=100 Peak 2366 from cnoeabs.peaks (6.47, 4.31, 59.97 ppm; 4.11 A): 1 out of 1 assignment used, quality = 0.87: * QE TYR 76 + HA TYR 76 OK 87 100 - 87 - 4.7=67, 7031/3.0=28...(8) Peak 2367 from cnoeabs.peaks (7.54, 4.31, 59.97 ppm; 4.92 A): 1 out of 4 assignments used, quality = 1.00: * H VAL 77 + HA TYR 76 OK 100 100 - 100 - 3.6=100 H LEU 119 - HA TYR 76 OK 14 100 - 14 - 7032/3.0=4, 2381/3.0=3...(7) HE22 GLN 27 - HA TYR 76 lone 6 73 - 7 - 7032/3.0=3, 2374/3.0=1 H THR 54 - HA TYR 76 lone 5 81 - 6 - 7032/3.0=2, 2374/3.0=1 Peak 2368 from cnoeabs.peaks (8.04, 2.76, 40.72 ppm; 4.40 A): 1 out of 5 assignments used, quality = 1.00: * H TYR 76 + HB2 TYR 76 OK 100 100 - 100 - 3.8=100 H CYS 79 - HB2 TYR 76 OK 40 100 - 40 - 11162/3.0=14...(5) H LEU 48 - HB2 TYR 76 OK 14 99 - 14 - 2361/3.0=6, 2375/1.8=4...(5) H CYS 125 - HB2 TYR 76 lone 9 100 - 9 - 2375/1.8=2, 2361/3.0=2...(4) H SER 130 - HB2 TYR 76 lone 6 73 - 8 - 2361/3.0=1, 7887/9617=1...(4) Peak 2369 from cnoeabs.peaks (4.31, 2.76, 40.72 ppm; 3.55 A): 2 out of 3 assignments used, quality = 1.00: * HA TYR 76 + HB2 TYR 76 OK 100 100 - 100 - 3.0=100 HA2 GLY 75 + HB2 TYR 76 OK 54 87 - 62 - 4.9=38, 3.5/7028=21...(7) HA ASP 131 - HB2 TYR 76 OK 11 96 - 11 - 7027/3.8=3, 2376/1.8=2...(6) Peak 2370 from cnoeabs.peaks (2.76, 2.76, 40.72 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 76 + HB2 TYR 76 OK 100 100 - 100 Peak 2371 from cnoeabs.peaks (3.13, 2.76, 40.72 ppm; 4.74 A): 1 out of 3 assignments used, quality = 1.00: * HB3 TYR 76 + HB2 TYR 76 OK 100 100 - 100 - 1.8=100 HB3 CYS 45 - HB2 TYR 76 OK 38 100 - 39 - 2364/3.0=9, ~1443=7...(9) HB2 HIS 8 - HB2 TYR 76 lone 10 96 - 10 - 2364/3.0=2, 7029/3.8=2...(5) Peak 2372 from cnoeabs.peaks (6.50, 2.76, 40.72 ppm; 4.49 A): 1 out of 1 assignment used, quality = 1.00: * QD TYR 76 + HB2 TYR 76 OK 100 100 - 100 - 2.6=100 Peak 2373 from cnoeabs.peaks (6.47, 2.76, 40.72 ppm; 5.09 A): 1 out of 1 assignment used, quality = 1.00: * QE TYR 76 + HB2 TYR 76 OK 100 100 - 100 - 4.5=100 Peak 2374 from cnoeabs.peaks (7.54, 2.76, 40.72 ppm; 6.62 A): 1 out of 4 assignments used, quality = 1.00: * H VAL 77 + HB2 TYR 76 OK 100 100 - 100 - 4.5=100 H LEU 119 - HB2 TYR 76 OK 17 100 - 17 - 2381/1.8=6, 2367/3.0=5 HE22 GLN 27 - HB2 TYR 76 poor 8 73 - 10 - 7032/3.8=4, 2381/1.8=2 H THR 54 - HB2 TYR 76 lone 7 81 - 9 - 2381/1.8=2, 2367/3.0=2 Peak 2375 from cnoeabs.peaks (8.04, 3.13, 40.72 ppm; 4.68 A): 2 out of 5 assignments used, quality = 1.00: * H TYR 76 + HB3 TYR 76 OK 100 100 - 100 - 3.8=100 H CYS 79 + HB3 TYR 76 OK 51 100 - 51 - 11162/3.0=16...(6) H LEU 48 - HB3 TYR 76 OK 19 99 - 19 - 2361/3.0=6, 2368/1.8=4...(7) H CYS 125 - HB3 TYR 76 lone 10 100 - 9 - 2368/1.8=2, 2361/3.0=2...(5) H SER 130 - HB3 TYR 76 lone 6 73 - 8 - 2361/3.0=2, 7887/9635=2 Peak 2376 from cnoeabs.peaks (4.31, 3.13, 40.72 ppm; 4.58 A): 2 out of 3 assignments used, quality = 1.00: * HA TYR 76 + HB3 TYR 76 OK 100 100 - 100 - 3.0=100 HA2 GLY 75 + HB3 TYR 76 OK 79 87 - 91 - 4.9=81, 3.5/7029=27...(8) HA ASP 131 - HB3 TYR 76 OK 18 96 - 19 - 7027/3.8=4, 2369/1.8=3...(7) Peak 2377 from cnoeabs.peaks (2.76, 3.13, 40.72 ppm; 4.46 A): 1 out of 3 assignments used, quality = 1.00: * HB2 TYR 76 + HB3 TYR 76 OK 100 100 - 100 - 1.8=100 HB2 ASP 64 - HB3 TYR 76 lone 6 73 - 8 - 2363/3.0=2, 5516/2.6=1...(4) HB3 ASP 35 - HB3 TYR 76 lone 3 65 - 5 - 2363/3.0=1 Peak 2378 from cnoeabs.peaks (3.13, 3.13, 40.72 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 TYR 76 + HB3 TYR 76 OK 100 100 - 100 Peak 2379 from cnoeabs.peaks (6.50, 3.13, 40.72 ppm; 4.28 A): 1 out of 1 assignment used, quality = 1.00: * QD TYR 76 + HB3 TYR 76 OK 100 100 - 100 - 2.6=100 Peak 2380 from cnoeabs.peaks (6.47, 3.13, 40.72 ppm; 4.73 A): 1 out of 1 assignment used, quality = 1.00: * QE TYR 76 + HB3 TYR 76 OK 100 100 - 100 - 4.5=100 Peak 2381 from cnoeabs.peaks (7.54, 3.13, 40.72 ppm; 6.80 A): 1 out of 4 assignments used, quality = 1.00: * H VAL 77 + HB3 TYR 76 OK 100 100 - 100 - 4.5=100 H LEU 119 - HB3 TYR 76 OK 20 100 - 20 - 2374/1.8=6, 2367/3.0=6...(4) HE22 GLN 27 - HB3 TYR 76 poor 8 73 - 11 - 7032/3.8=4, 2374/1.8=3 H THR 54 - HB3 TYR 76 lone 7 81 - 9 - 2374/1.8=2, 2367/3.0=2 Peak 2382 from cnoeabs.peaks (7.54, 3.45, 65.53 ppm; 3.81 A): 1 out of 4 assignments used, quality = 1.00: * H VAL 77 + HA VAL 77 OK 100 100 - 100 - 3.0=100 H LEU 119 - HA VAL 77 OK 17 100 - 17 - 2388/3.0=4, 2400/3.2=4...(5) HE22 GLN 27 - HA VAL 77 OK 14 73 - 19 - ~11146=12, 2400/3.2=2...(5) H THR 54 - HA VAL 77 lone 5 81 - 6 - 2388/3.0=1, 2394/3.2=1 Peak 2383 from cnoeabs.peaks (3.45, 3.45, 65.53 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 77 + HA VAL 77 OK 100 100 - 100 Peak 2384 from cnoeabs.peaks (2.33, 3.45, 65.53 ppm; 3.61 A): 1 out of 4 assignments used, quality = 1.00: * HB VAL 77 + HA VAL 77 OK 100 100 - 100 - 3.0=100 HG2 GLU 44 - HA VAL 77 OK 28 98 - 29 - ~9141=6, 2396/3.2=5...(10) HB3 GLN 134 - HA VAL 77 OK 25 92 - 27 - ~10595=8, 2396/3.2=4...(10) HG3 GLU 30 - HA VAL 77 OK 17 98 - 18 - 2402/3.2=3, ~9662=3...(9) Peak 2385 from cnoeabs.peaks (1.06, 3.45, 65.53 ppm; 3.83 A): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 77 + HA VAL 77 OK 100 100 - 100 - 3.2=100 Peak 2386 from cnoeabs.peaks (1.18, 3.45, 65.53 ppm; 3.39 A): 1 out of 2 assignments used, quality = 1.00: * QG2 VAL 77 + HA VAL 77 OK 100 100 - 100 - 3.2=100 QG2 THR 25 - HA VAL 77 OK 21 87 - 24 - 2392/3.0=5, 2398/3.2=4...(8) Peak 2387 from cnoeabs.peaks (7.58, 3.45, 65.53 ppm; 4.07 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 78 + HA VAL 77 OK 100 100 - 100 - 3.6=100 Peak 2388 from cnoeabs.peaks (7.54, 2.33, 31.62 ppm; 3.35 A): 2 out of 4 assignments used, quality = 0.91: * H VAL 77 + HB VAL 77 OK 89 100 - 89 - 3.9=62, 7043/2.1=36...(9) H LEU 119 + HB VAL 77 OK 14 100 - 14 - 2400/2.1=4, 2394/2.1=4...(5) HE22 GLN 27 - HB VAL 77 lone 5 73 - 7 - 2400/2.1=2, 2382/3.0=2 H THR 54 - HB VAL 77 lone 4 81 - 4 - 2394/2.1=1, 2400/2.1=1 Peak 2389 from cnoeabs.peaks (3.45, 2.33, 31.62 ppm; 3.55 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 77 + HB VAL 77 OK 100 100 - 100 - 3.0=100 Peak 2390 from cnoeabs.peaks (2.33, 2.33, 31.62 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB VAL 77 + HB VAL 77 OK 100 100 - 100 Peak 2391 from cnoeabs.peaks (1.06, 2.33, 31.62 ppm; 3.12 A): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 77 + HB VAL 77 OK 100 100 - 100 - 2.1=100 Peak 2392 from cnoeabs.peaks (1.18, 2.33, 31.62 ppm; 3.26 A): 1 out of 2 assignments used, quality = 1.00: * QG2 VAL 77 + HB VAL 77 OK 100 100 - 100 - 2.1=100 QG2 THR 25 - HB VAL 77 OK 23 87 - 26 - 2.1/10695=6, 2398/2.1=6...(8) Peak 2393 from cnoeabs.peaks (7.58, 2.33, 31.62 ppm; 3.60 A): 1 out of 1 assignment used, quality = 0.91: * H ASP 78 + HB VAL 77 OK 91 100 - 91 - 4.5=50, 7052/2.1=42...(11) Peak 2394 from cnoeabs.peaks (7.54, 1.06, 19.25 ppm; 3.08 A): 2 out of 4 assignments used, quality = 0.84: * H VAL 77 + QG1 VAL 77 OK 82 100 - 82 - 7043=50, 7044/2.1=23...(10) H LEU 119 + QG1 VAL 77 OK 11 100 - 11 - 2400/2.1=4, 2388/2.1=4...(4) HE22 GLN 27 - QG1 VAL 77 lone 5 73 - 6 - 2400/2.1=2, 2382/3.2=2 H THR 54 - QG1 VAL 77 lone 3 81 - 4 - Peak 2395 from cnoeabs.peaks (3.45, 1.06, 19.25 ppm; 3.71 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 77 + QG1 VAL 77 OK 100 100 - 100 - 3.2=100 Peak 2396 from cnoeabs.peaks (2.33, 1.06, 19.25 ppm; 2.97 A): 1 out of 4 assignments used, quality = 1.00: * HB VAL 77 + QG1 VAL 77 OK 100 100 - 100 - 2.1=100 HG2 GLU 44 - QG1 VAL 77 OK 24 98 - 24 - ~9141=5, 2402/2.1=4...(10) HB3 GLN 134 - QG1 VAL 77 OK 21 92 - 23 - 2.9/10595=7, 2402/2.1=4...(9) HG3 GLU 30 - QG1 VAL 77 OK 16 98 - 16 - 2402/2.1=3, ~9662=3...(7) Peak 2397 from cnoeabs.peaks (1.06, 1.06, 19.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 77 + QG1 VAL 77 OK 100 100 - 100 Peak 2398 from cnoeabs.peaks (1.18, 1.06, 19.25 ppm; 2.66 A): 1 out of 2 assignments used, quality = 1.00: * QG2 VAL 77 + QG1 VAL 77 OK 100 100 - 100 - 2.1=100 QG2 THR 25 - QG1 VAL 77 OK 17 87 - 19 - 3.2/11154=6, 2392/2.1=4...(7) Peak 2399 from cnoeabs.peaks (7.58, 1.06, 19.25 ppm; 2.98 A): 1 out of 1 assignment used, quality = 0.86: * H ASP 78 + QG1 VAL 77 OK 86 100 - 86 - 7052=50, 2393/2.1=23...(13) Peak 2400 from cnoeabs.peaks (7.54, 1.18, 22.07 ppm; 3.45 A): 2 out of 4 assignments used, quality = 0.94: * H VAL 77 + QG2 VAL 77 OK 93 100 - 93 - 4.0=63, 7043/2.1=38...(14) H LEU 119 + QG2 VAL 77 OK 17 100 - 17 - 2388/2.1=4, 2394/2.1=4...(5) HE22 GLN 27 - QG2 VAL 77 poor 10 73 - 13 - 4.6/10766=6, 2382/3.2=2...(5) H THR 54 - QG2 VAL 77 lone 4 81 - 5 - 2394/2.1=1, 2388/2.1=1 Peak 2401 from cnoeabs.peaks (3.45, 1.18, 22.07 ppm; 3.23 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 77 + QG2 VAL 77 OK 100 100 - 100 - 3.2=100 Peak 2402 from cnoeabs.peaks (2.33, 1.18, 22.07 ppm; 3.05 A): 1 out of 4 assignments used, quality = 1.00: * HB VAL 77 + QG2 VAL 77 OK 100 100 - 100 - 2.1=100 HG2 GLU 44 - QG2 VAL 77 OK 24 98 - 24 - 2396/2.1=5, 2384/3.2=3...(11) HB3 GLN 134 - QG2 VAL 77 OK 22 92 - 24 - ~10595=7, 2396/2.1=4...(9) HG3 GLU 30 - QG2 VAL 77 OK 18 98 - 18 - 3.0/9662=6, 2396/2.1=3...(8) Peak 2403 from cnoeabs.peaks (1.06, 1.18, 22.07 ppm; 2.72 A): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 77 + QG2 VAL 77 OK 100 100 - 100 - 2.1=100 Peak 2404 from cnoeabs.peaks (1.18, 1.18, 22.07 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 77 + QG2 VAL 77 OK 100 100 - 100 Peak 2405 from cnoeabs.peaks (7.58, 1.18, 22.07 ppm; 3.72 A): 1 out of 1 assignment used, quality = 0.95: * H ASP 78 + QG2 VAL 77 OK 95 100 - 95 - 4.3=65, 7052/2.1=44...(12) Peak 2406 from cnoeabs.peaks (7.58, 4.38, 55.75 ppm; 3.61 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 78 + HA ASP 78 OK 100 100 - 100 - 2.9=100 Peak 2407 from cnoeabs.peaks (4.38, 4.38, 55.75 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASP 78 + HA ASP 78 OK 100 100 - 100 Peak 2408 from cnoeabs.peaks (2.51, 4.38, 55.75 ppm; 3.67 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASP 78 + HA ASP 78 OK 100 100 - 100 - 3.0=100 HG3 GLU 44 - HA ASP 78 OK 22 99 - 22 - 7055/2.9=7, 2418/3.0=4...(7) Peak 2409 from cnoeabs.peaks (2.74, 4.38, 55.75 ppm; 3.48 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASP 78 + HA ASP 78 OK 100 100 - 100 - 3.0=100 HB2 CYS 125 - HA ASP 78 OK 17 99 - 17 - 7062/3.6=4, 7056/2.9=4...(6) Peak 2410 from cnoeabs.peaks (8.04, 4.38, 55.75 ppm; 4.41 A): 2 out of 5 assignments used, quality = 1.00: * H CYS 79 + HA ASP 78 OK 100 100 - 100 - 3.6=100 H TYR 76 + HA ASP 78 OK 84 100 - 84 - 11789=36, 7033/2.9=35...(12) H CYS 125 - HA ASP 78 OK 22 100 - 22 - 7783/3.0=8, 3.9/2409=5...(5) H LEU 48 - HA ASP 78 lone 8 99 - 8 - ~9687=2, 7047/2.9=2 H SER 130 - HA ASP 78 lone 4 73 - 6 - 10562/9695=3 Peak 2411 from cnoeabs.peaks (7.58, 2.51, 39.87 ppm; 3.57 A): 1 out of 1 assignment used, quality = 0.87: * H ASP 78 + HB2 ASP 78 OK 87 100 - 87 - 4.1=68, 7056/1.8=36...(7) Peak 2412 from cnoeabs.peaks (4.38, 2.51, 39.87 ppm; 3.71 A): 1 out of 4 assignments used, quality = 1.00: * HA ASP 78 + HB2 ASP 78 OK 100 100 - 100 - 3.0=100 HA CYS 73 - HB2 ASP 78 OK 34 100 - 34 - 11125/4.1=16, 2417/1.8=9...(6) HA SER 107 - HB2 ASP 78 lone 3 96 - 3 - HA SER 9 - HB2 ASP 78 lone 0 57 - 1 - Peak 2413 from cnoeabs.peaks (2.51, 2.51, 39.87 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 78 + HB2 ASP 78 OK 100 100 - 100 Peak 2414 from cnoeabs.peaks (2.74, 2.51, 39.87 ppm; 2.98 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASP 78 + HB2 ASP 78 OK 100 100 - 100 - 1.8=100 HB2 CYS 125 - HB2 ASP 78 OK 13 99 - 13 - 2409/3.0=3, 7062/4.3=3...(6) Peak 2415 from cnoeabs.peaks (8.04, 2.51, 39.87 ppm; 4.85 A): 2 out of 5 assignments used, quality = 1.00: * H CYS 79 + HB2 ASP 78 OK 100 100 - 100 - 4.3=100 H TYR 76 + HB2 ASP 78 OK 69 100 - 70 - 7033/4.1=33...(7) H CYS 125 - HB2 ASP 78 OK 26 100 - 26 - 7783/1.8=10, ~3982=6...(5) H LEU 48 - HB2 ASP 78 lone 7 99 - 7 - 6575/1396=2, 7047/4.1=2...(4) H SER 130 - HB2 ASP 78 lone 3 73 - 4 - Peak 2416 from cnoeabs.peaks (7.58, 2.74, 39.87 ppm; 3.63 A): 1 out of 1 assignment used, quality = 0.89: * H ASP 78 + HB3 ASP 78 OK 89 100 - 89 - 4.1=71, 2411/1.8=37...(7) Peak 2417 from cnoeabs.peaks (4.38, 2.74, 39.87 ppm; 3.47 A): 1 out of 4 assignments used, quality = 1.00: * HA ASP 78 + HB3 ASP 78 OK 100 100 - 100 - 3.0=100 HA CYS 73 - HB3 ASP 78 OK 30 100 - 31 - 11125/4.1=14, 2412/1.8=8...(6) HA SER 107 - HB3 ASP 78 lone 3 96 - 3 - HA SER 9 - HB3 ASP 78 lone 0 57 - 1 - Peak 2418 from cnoeabs.peaks (2.51, 2.74, 39.87 ppm; 2.97 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASP 78 + HB3 ASP 78 OK 100 100 - 100 - 1.8=100 HG3 GLU 44 - HB3 ASP 78 OK 14 99 - 14 - 2408/3.0=3, 7055/4.1=3...(6) Peak 2419 from cnoeabs.peaks (2.74, 2.74, 39.87 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 78 + HB3 ASP 78 OK 100 100 - 100 Peak 2420 from cnoeabs.peaks (8.04, 2.74, 39.87 ppm; 4.14 A): 2 out of 5 assignments used, quality = 0.99: * H CYS 79 + HB3 ASP 78 OK 96 100 - 96 - 4.3=92, 7061/1.8=31...(5) H TYR 76 + HB3 ASP 78 OK 59 100 - 59 - 7033/4.1=25...(6) H CYS 125 - HB3 ASP 78 OK 31 100 - 30 - 7783=10, 2.9/3982=7...(7) H LEU 48 - HB3 ASP 78 lone 5 99 - 5 - 7057/4.1=1 H SER 130 - HB3 ASP 78 lone 3 73 - 4 - Peak 2421 from cnoeabs.peaks (8.04, 4.11, 58.55 ppm; 3.43 A): 1 out of 5 assignments used, quality = 1.00: * H CYS 79 + HA CYS 79 OK 100 100 - 100 - 2.9=100 H TYR 76 - HA CYS 79 OK 32 100 - 32 - ~11818=5, ~11817=5...(10) H LEU 48 - HA CYS 79 OK 27 99 - 27 - 6583=5, 7068/3.6=3...(13) H CYS 125 - HA CYS 79 lone 5 100 - 5 - ~3980=1 H SER 130 - HA CYS 79 lone 2 73 - 3 - 7068/3.6=1 Peak 2422 from cnoeabs.peaks (4.11, 4.11, 58.55 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA CYS 79 + HA CYS 79 OK 100 100 - 100 Peak 2423 from cnoeabs.peaks (1.84, 4.11, 58.55 ppm; 3.65 A): 1 out of 2 assignments used, quality = 1.00: * HB2 CYS 79 + HA CYS 79 OK 100 100 - 100 - 3.0=100 HB3 LEU 123 - HA CYS 79 lone 4 95 - 4 - 7064/2.9=2, 2433/3.0=1 Peak 2424 from cnoeabs.peaks (2.61, 4.11, 58.55 ppm; 3.64 A): 1 out of 2 assignments used, quality = 1.00: * HB3 CYS 79 + HA CYS 79 OK 100 100 - 100 - 3.0=100 HB2 ASN 59 - HA CYS 79 lone 3 73 - 4 - Peak 2425 from cnoeabs.peaks (6.96, 4.11, 58.55 ppm; 4.13 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 80 + HA CYS 79 OK 100 100 - 100 - 3.6=100 HE21 GLN 104 - HA CYS 79 lone 5 65 - 8 - 7066/2.9=2, 2435/3.0=1...(4) Peak 2426 from cnoeabs.peaks (8.04, 1.84, 27.19 ppm; 4.47 A): 2 out of 5 assignments used, quality = 1.00: * H CYS 79 + HB2 CYS 79 OK 100 100 - 100 - 3.9=100 H TYR 76 + HB2 CYS 79 OK 46 100 - 46 - 3.0/11817=13, ~11818=11...(6) H LEU 48 - HB2 CYS 79 OK 26 99 - 26 - 2421/3.0=7, 2.9/2427=6...(5) H CYS 125 - HB2 CYS 79 lone 6 100 - 6 - 3.6/10370=1, 2421/3.0=1 H SER 130 - HB2 CYS 79 lone 3 73 - 4 - 7068/4.4=2 Peak 2427 from cnoeabs.peaks (4.11, 1.84, 27.19 ppm; 4.28 A): 1 out of 6 assignments used, quality = 1.00: * HA CYS 79 + HB2 CYS 79 OK 100 100 - 100 - 3.0=100 HA LEU 48 - HB2 CYS 79 OK 30 98 - 31 - 2432/1.8=7, 1483/3.9=7...(9) HA LEU 49 - HB2 CYS 79 OK 11 100 - 11 - 7063/3.9=3, 2432/1.8=2...(4) HA LEU 98 - HB2 CYS 79 lone 10 100 - 10 - 7069/4.4=3, 7063/3.9=2 HA ILE 32 - HB2 CYS 79 lone 8 98 - 8 - 7063/3.9=2, 2432/1.8=2 HA GLN 101 - HB2 CYS 79 lone 6 98 - 5 - 2432/1.8=1 Peak 2428 from cnoeabs.peaks (1.84, 1.84, 27.19 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 CYS 79 + HB2 CYS 79 OK 100 100 - 100 Peak 2429 from cnoeabs.peaks (2.61, 1.84, 27.19 ppm; 3.61 A): 1 out of 2 assignments used, quality = 1.00: * HB3 CYS 79 + HB2 CYS 79 OK 100 100 - 100 - 1.8=100 HB2 ASN 59 - HB2 CYS 79 lone 3 73 - 4 - Peak 2430 from cnoeabs.peaks (6.96, 1.84, 27.19 ppm; 6.47 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 80 + HB2 CYS 79 OK 100 100 - 100 - 4.4=100 HE21 GLN 104 - HB2 CYS 79 poor 7 65 - 10 - 2435/1.8=3, 7066/3.9=3 Peak 2431 from cnoeabs.peaks (8.04, 2.61, 27.19 ppm; 4.12 A): 1 out of 5 assignments used, quality = 1.00: * H CYS 79 + HB3 CYS 79 OK 100 100 - 100 - 3.9=100 H TYR 76 - HB3 CYS 79 OK 35 100 - 35 - 3.0/11818=11, ~11817=9...(5) H LEU 48 - HB3 CYS 79 OK 22 99 - 23 - 2421/3.0=6, 2.9/2432=5...(5) H CYS 125 - HB3 CYS 79 lone 4 100 - 4 - 2426/1.8=1, 2421/3.0=1 H SER 130 - HB3 CYS 79 lone 3 73 - 4 - 7068/4.4=2 Peak 2432 from cnoeabs.peaks (4.11, 2.61, 27.19 ppm; 3.86 A): 1 out of 6 assignments used, quality = 1.00: * HA CYS 79 + HB3 CYS 79 OK 100 100 - 100 - 3.0=100 HA LEU 48 - HB3 CYS 79 OK 25 98 - 25 - 2427/1.8=6, 1483/3.9=6...(9) HA LEU 49 - HB3 CYS 79 lone 9 100 - 9 - 7063/3.9=2, 2427/1.8=2 HA LEU 98 - HB3 CYS 79 lone 8 100 - 8 - 7069/4.4=3, 7063/3.9=2 HA ILE 32 - HB3 CYS 79 lone 6 98 - 6 - 7063/3.9=2, 2427/1.8=1 HA GLN 101 - HB3 CYS 79 lone 5 98 - 4 - 2427/1.8=1 Peak 2433 from cnoeabs.peaks (1.84, 2.61, 27.19 ppm; 3.49 A): 1 out of 2 assignments used, quality = 1.00: * HB2 CYS 79 + HB3 CYS 79 OK 100 100 - 100 - 1.8=100 HB3 LEU 123 - HB3 CYS 79 lone 3 95 - 3 - 7064/3.9=1, 2423/3.0=1 Peak 2434 from cnoeabs.peaks (2.61, 2.61, 27.19 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 CYS 79 + HB3 CYS 79 OK 100 100 - 100 Peak 2435 from cnoeabs.peaks (6.96, 2.61, 27.19 ppm; 5.58 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 80 + HB3 CYS 79 OK 100 100 - 100 - 4.4=100 HE21 GLN 104 - HB3 CYS 79 lone 7 65 - 10 - 7066/3.9=3, 2425/3.0=2...(4) Peak 2436 from cnoeabs.peaks (6.96, 4.12, 58.67 ppm; 4.26 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 80 + HA ILE 80 OK 100 100 - 100 - 3.0=100 HE21 GLN 104 - HA ILE 80 OK 19 65 - 28 - 2443/3.0=6, 2450/3.2=6...(6) Peak 2437 from cnoeabs.peaks (4.12, 4.12, 58.67 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ILE 80 + HA ILE 80 OK 100 100 - 100 Peak 2438 from cnoeabs.peaks (1.74, 4.12, 58.67 ppm; 4.51 A): 2 out of 4 assignments used, quality = 1.00: * HB ILE 80 + HA ILE 80 OK 100 100 - 100 - 3.0=100 HG13 ILE 129 + HA ILE 80 OK 60 81 - 74 - 3.2/2441=13...(19) HG3 ARG 90 - HA ILE 80 OK 24 92 - 26 - 2473/4.2=5, 2452/3.2=4...(10) HB2 LYS 31 - HA ILE 80 OK 14 87 - 16 - ~9709=6, 7073/3.0=3...(6) Peak 2439 from cnoeabs.peaks (0.81, 4.12, 58.67 ppm; 3.67 A): 1 out of 4 assignments used, quality = 1.00: * QG2 ILE 80 + HA ILE 80 OK 100 100 - 100 - 3.2=100 QG2 ILE 129 - HA ILE 80 OK 43 73 - 59 - 2.1/11168=9, 2446/3.0=7...(21) QD1 LEU 70 - HA ILE 80 OK 25 92 - 27 - 2446/3.0=4, 2467/4.1=4...(10) QD1 LEU 122 - HA ILE 80 OK 10 81 - 12 - 2446/3.0=2, 11186/3.8=1...(7) Peak 2440 from cnoeabs.peaks (1.21, 4.12, 58.67 ppm; 5.43 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 80 + HA ILE 80 OK 100 100 - 100 - 4.1=100 Peak 2441 from cnoeabs.peaks (0.82, 4.12, 58.67 ppm; 3.76 A): 2 out of 3 assignments used, quality = 0.98: * HG13 ILE 80 + HA ILE 80 OK 95 100 - 95 - 4.1=80, 2455/3.2=20...(13) QG2 ILE 129 + HA ILE 80 OK 65 99 - 66 - 2455/3.2=12, 2448/3.0=10...(20) QD1 LEU 70 - HA ILE 80 OK 25 92 - 26 - 2455/3.2=6, 2448/3.0=4...(9) Peak 2442 from cnoeabs.peaks (0.27, 4.12, 58.67 ppm; 6.46 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 80 + HA ILE 80 OK 100 100 - 100 - 4.2=100 Peak 2443 from cnoeabs.peaks (6.96, 1.74, 38.49 ppm; 4.19 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 80 + HB ILE 80 OK 100 100 - 100 - 3.9=100 HE21 GLN 104 - HB ILE 80 OK 25 65 - 38 - ~9749=11, 2450/2.1=7...(7) Peak 2444 from cnoeabs.peaks (4.12, 1.74, 38.49 ppm; 5.82 A): 3 out of 4 assignments used, quality = 1.00: * HA ILE 80 + HB ILE 80 OK 100 100 - 100 - 3.0=100 HA3 GLY 114 + HB ILE 80 OK 59 100 - 59 - 2472/3.2=10, 1.8/9729=10...(12) HA ALA 52 + HB ILE 80 OK 49 81 - 61 - 2.1/11167=18, ~10963=17...(11) HA CYS 45 - HB ILE 80 OK 35 98 - 36 - 2451/2.1=5, 2458/3.0=5...(11) Peak 2445 from cnoeabs.peaks (1.74, 1.74, 38.49 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 80 + HB ILE 80 OK 100 100 - 100 Peak 2446 from cnoeabs.peaks (0.81, 1.74, 38.49 ppm; 3.72 A): 2 out of 4 assignments used, quality = 1.00: * QG2 ILE 80 + HB ILE 80 OK 100 100 - 100 - 2.1=100 QG2 ILE 129 + HB ILE 80 OK 52 73 - 72 - 2467/3.0=10, ~10485=9...(27) QD1 LEU 70 - HB ILE 80 OK 32 92 - 34 - 2467/3.0=6, 2474/3.2=5...(13) QD1 LEU 122 - HB ILE 80 OK 13 81 - 16 - 2439/3.0=2, ~3889=2...(10) Peak 2447 from cnoeabs.peaks (1.21, 1.74, 38.49 ppm; 4.61 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 80 + HB ILE 80 OK 100 100 - 100 - 3.0=100 Peak 2448 from cnoeabs.peaks (0.82, 1.74, 38.49 ppm; 3.90 A): 2 out of 3 assignments used, quality = 1.00: * HG13 ILE 80 + HB ILE 80 OK 100 100 - 100 - 3.0=100 QG2 ILE 129 + HB ILE 80 OK 77 99 - 78 - 2455/2.1=16, 2462/3.0=11...(25) QD1 LEU 70 - HB ILE 80 OK 32 92 - 34 - 2455/2.1=8, 2462/3.0=4...(11) Peak 2449 from cnoeabs.peaks (0.27, 1.74, 38.49 ppm; 4.16 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 80 + HB ILE 80 OK 100 100 - 100 - 3.2=100 Peak 2450 from cnoeabs.peaks (6.96, 0.81, 17.22 ppm; 4.24 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 80 + QG2 ILE 80 OK 100 100 - 100 - 4.0=100 HE21 GLN 104 - QG2 ILE 80 OK 25 65 - 39 - ~9749=12, 2443/2.1=7...(8) Peak 2451 from cnoeabs.peaks (4.12, 0.81, 17.22 ppm; 3.96 A): 1 out of 4 assignments used, quality = 1.00: * HA ILE 80 + QG2 ILE 80 OK 100 100 - 100 - 3.2=100 HA3 GLY 114 - QG2 ILE 80 OK 36 100 - 36 - 2472/3.1=6, 2458/3.2=5...(12) HA ALA 52 - QG2 ILE 80 OK 31 81 - 39 - 2.9/10963=12, ~11167=6...(12) HA CYS 45 - QG2 ILE 80 OK 20 98 - 21 - 2472/3.1=3, 2458/3.2=3...(11) Peak 2452 from cnoeabs.peaks (1.74, 0.81, 17.22 ppm; 3.46 A): 2 out of 4 assignments used, quality = 1.00: * HB ILE 80 + QG2 ILE 80 OK 100 100 - 100 - 2.1=100 HG13 ILE 129 + QG2 ILE 80 OK 53 81 - 66 - 3.2/2455=11, 2473/3.1=7...(29) HG3 ARG 90 - QG2 ILE 80 OK 18 92 - 19 - 2473/3.1=4, ~2819=3...(9) HB2 LYS 31 - QG2 ILE 80 lone 8 87 - 9 - 7073/4.0=1, 2438/3.2=1 Peak 2453 from cnoeabs.peaks (0.81, 0.81, 17.22 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 80 + QG2 ILE 80 OK 100 100 - 100 Peak 2454 from cnoeabs.peaks (1.21, 0.81, 17.22 ppm; 3.93 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 80 + QG2 ILE 80 OK 100 100 - 100 - 3.2=100 Peak 2455 from cnoeabs.peaks (0.82, 0.81, 17.22 ppm; 2.50 A): 3 out of 3 assignments used, quality = 0.82: * HG13 ILE 80 + QG2 ILE 80 OK 64 100 - 64 - 3.2=48, 2.1/2474=13...(8) QG2 ILE 129 + QG2 ILE 80 OK 39 99 - 40 - 4141/2.1=5, 2476/3.1=5...(19) QD1 LEU 70 + QG2 ILE 80 OK 19 92 - 20 - 2.1/2273=3, 2.1/2257=3...(8) Peak 2456 from cnoeabs.peaks (0.27, 0.81, 17.22 ppm; 3.33 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 80 + QG2 ILE 80 OK 100 100 - 100 - 3.1=100 Peak 2457 from cnoeabs.peaks (6.96, 1.21, 27.07 ppm; 4.55 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 80 + HG12 ILE 80 OK 100 100 - 100 - 4.4=100 HE21 GLN 104 - HG12 ILE 80 OK 29 65 - 44 - ~9749=17, 2471/2.1=10...(6) Peak 2458 from cnoeabs.peaks (4.12, 1.21, 27.07 ppm; 4.68 A): 1 out of 4 assignments used, quality = 1.00: * HA ILE 80 + HG12 ILE 80 OK 100 100 - 100 - 4.1=100 HA3 GLY 114 - HG12 ILE 80 OK 43 100 - 43 - 2472/2.1=10, 2465/1.8=9...(9) HA ALA 52 - HG12 ILE 80 OK 29 81 - 36 - ~10963=9, ~11167=7...(8) HA CYS 45 - HG12 ILE 80 OK 23 98 - 23 - 1438/9201=5, 2472/2.1=4...(7) Peak 2459 from cnoeabs.peaks (1.74, 1.21, 27.07 ppm; 4.83 A): 2 out of 4 assignments used, quality = 1.00: * HB ILE 80 + HG12 ILE 80 OK 100 100 - 100 - 3.0=100 HG13 ILE 129 + HG12 ILE 80 OK 67 81 - 83 - 3.2/2462=15, 2473/2.1=13...(20) HG3 ARG 90 - HG12 ILE 80 OK 29 92 - 32 - 2473/2.1=8, 2452/3.2=4...(11) HB2 LYS 31 - HG12 ILE 80 OK 12 87 - 13 - 7073/4.4=2, 2438/4.1=2...(5) Peak 2460 from cnoeabs.peaks (0.81, 1.21, 27.07 ppm; 3.45 A): 2 out of 4 assignments used, quality = 1.00: * QG2 ILE 80 + HG12 ILE 80 OK 100 100 - 100 - 3.2=100 QG2 ILE 129 + HG12 ILE 80 OK 46 73 - 63 - 2467/1.8=12, ~10485=10...(21) QD1 LEU 70 - HG12 ILE 80 OK 27 92 - 30 - 2467/1.8=7, 2474/2.1=6...(10) QD1 LEU 122 - HG12 ILE 80 lone 8 81 - 10 - 2474/2.1=2, 2446/3.0=2...(4) Peak 2461 from cnoeabs.peaks (1.21, 1.21, 27.07 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 80 + HG12 ILE 80 OK 100 100 - 100 Peak 2462 from cnoeabs.peaks (0.82, 1.21, 27.07 ppm; 3.59 A): 2 out of 3 assignments used, quality = 1.00: * HG13 ILE 80 + HG12 ILE 80 OK 100 100 - 100 - 1.8=100 QG2 ILE 129 + HG12 ILE 80 OK 69 99 - 70 - 2476/2.1=13, ~10485=11...(22) QD1 LEU 70 - HG12 ILE 80 OK 27 92 - 29 - 2455/3.2=5, 2476/2.1=5...(11) Peak 2463 from cnoeabs.peaks (0.27, 1.21, 27.07 ppm; 3.94 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 80 + HG12 ILE 80 OK 100 100 - 100 - 2.1=100 Peak 2464 from cnoeabs.peaks (6.96, 0.82, 27.07 ppm; 4.68 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 80 + HG13 ILE 80 OK 100 100 - 100 - 4.4=100 HE21 GLN 104 - HG13 ILE 80 OK 30 65 - 46 - ~9749=18, 2471/2.1=10...(6) Peak 2465 from cnoeabs.peaks (4.12, 0.82, 27.07 ppm; 4.79 A): 1 out of 4 assignments used, quality = 1.00: * HA ILE 80 + HG13 ILE 80 OK 100 100 - 100 - 4.1=100 HA3 GLY 114 - HG13 ILE 80 OK 44 100 - 44 - 2472/2.1=10, 2458/1.8=9...(8) HA ALA 52 - HG13 ILE 80 OK 30 81 - 37 - ~10963=9, ~11167=8...(7) HA CYS 45 - HG13 ILE 80 OK 20 98 - 20 - 2458/1.8=5, 2472/2.1=4...(5) Peak 2466 from cnoeabs.peaks (1.74, 0.82, 27.07 ppm; 6.80 A): 2 out of 4 assignments used, quality = 1.00: * HB ILE 80 + HG13 ILE 80 OK 100 100 - 100 - 3.0=100 HG13 ILE 129 + HG13 ILE 80 OK 78 81 - 97 - ~2462=16, 2459/1.8=16...(29) HG3 ARG 90 - HG13 ILE 80 OK 41 92 - 45 - 2473/2.1=8, ~2810=7...(10) HB2 LYS 31 - HG13 ILE 80 OK 19 87 - 22 - 2438/4.1=3, 7073/4.4=3...(7) Peak 2467 from cnoeabs.peaks (0.81, 0.82, 27.07 ppm; 2.67 A): 3 out of 4 assignments used, quality = 0.86: * QG2 ILE 80 + HG13 ILE 80 OK 72 100 - 72 - 3.2=58, 2474/2.1=15...(9) QG2 ILE 129 + HG13 ILE 80 OK 35 73 - 48 - 2474/2.1=6, ~10485=5...(22) QD1 LEU 70 + HG13 ILE 80 OK 22 92 - 24 - 2474/2.1=4, 2460/1.8=3...(11) QD1 LEU 122 - HG13 ILE 80 lone 5 81 - 6 - 2474/2.1=1 Peak 2468 from cnoeabs.peaks (1.21, 0.82, 27.07 ppm; 3.87 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 80 + HG13 ILE 80 OK 100 100 - 100 - 1.8=100 Peak 2469 from cnoeabs.peaks (0.82, 0.82, 27.07 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 80 + HG13 ILE 80 OK 100 100 - 100 Peak 2470 from cnoeabs.peaks (0.27, 0.82, 27.07 ppm; 4.17 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 80 + HG13 ILE 80 OK 100 100 - 100 - 2.1=100 Peak 2471 from cnoeabs.peaks (6.96, 0.27, 13.24 ppm; 4.01 A): 1 out of 2 assignments used, quality = 0.94: * H ILE 80 + QD1 ILE 80 OK 94 100 - 94 - 5.0=53, 7075/2.1=40...(15) HE21 GLN 104 - QD1 ILE 80 OK 28 65 - 42 - 1.7/9749=19, 2457/2.1=7...(8) Peak 2472 from cnoeabs.peaks (4.12, 0.27, 13.24 ppm; 4.10 A): 1 out of 4 assignments used, quality = 0.99: * HA ILE 80 + QD1 ILE 80 OK 99 100 - 99 - 4.2=95, 3.0/7077=34...(13) HA3 GLY 114 - QD1 ILE 80 OK 40 100 - 40 - 1.8/9727=8, 2.9/11183=7...(9) HA ALA 52 - QD1 ILE 80 OK 23 81 - 29 - ~10963=6, ~11167=5...(7) HA CYS 45 - QD1 ILE 80 OK 18 98 - 18 - 2458/2.1=3, 2451/3.1=3...(6) Peak 2473 from cnoeabs.peaks (1.74, 0.27, 13.24 ppm; 3.66 A): 2 out of 4 assignments used, quality = 1.00: * HB ILE 80 + QD1 ILE 80 OK 100 100 - 100 - 3.2=100 HG13 ILE 129 + QD1 ILE 80 OK 54 81 - 67 - 3.7/10485=15...(21) HG3 ARG 90 - QD1 ILE 80 OK 31 92 - 34 - 4.6/11183=9...(11) HB2 LYS 31 - QD1 ILE 80 lone 8 87 - 9 - 2452/3.1=1, 2459/2.1=1...(5) Peak 2474 from cnoeabs.peaks (0.81, 0.27, 13.24 ppm; 2.88 A): 3 out of 4 assignments used, quality = 0.95: * QG2 ILE 80 + QD1 ILE 80 OK 89 100 - 89 - 3.1=78, 2455/2.1=18...(14) QG2 ILE 129 + QD1 ILE 80 OK 36 73 - 49 - 3.2/10485=9, 2467/2.1=9...(20) QD1 LEU 70 + QD1 ILE 80 OK 23 92 - 25 - 2467/2.1=5, 2460/2.1=4...(10) QD1 LEU 122 - QD1 ILE 80 lone 7 81 - 9 - 2467/2.1=1, 2460/2.1=1...(5) Peak 2475 from cnoeabs.peaks (1.21, 0.27, 13.24 ppm; 3.43 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 80 + QD1 ILE 80 OK 100 100 - 100 - 2.1=100 Peak 2476 from cnoeabs.peaks (0.82, 0.27, 13.24 ppm; 2.95 A): 2 out of 3 assignments used, quality = 1.00: * HG13 ILE 80 + QD1 ILE 80 OK 100 100 - 100 - 2.1=100 QG2 ILE 129 + QD1 ILE 80 OK 54 99 - 55 - 3.2/10485=10, 2455/3.1=8...(23) QD1 LEU 70 - QD1 ILE 80 OK 21 92 - 23 - 2455/3.1=4, 2462/2.1=3...(10) Peak 2477 from cnoeabs.peaks (0.27, 0.27, 13.24 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 80 + QD1 ILE 80 OK 100 100 - 100 Peak 2478 from cnoeabs.peaks (4.12, 3.85, 51.18 ppm; 3.75 A): 1 out of 4 assignments used, quality = 0.99: * HA ILE 80 + HD2 PRO 81 OK 99 100 - 99 - 3.8=98, 2481/1.8=40...(5) HA ALA 52 - HD2 PRO 81 OK 19 81 - 24 - 2480/1.8=5, 9238/2.3=5...(8) HA3 GLY 114 - HD2 PRO 81 OK 13 100 - 13 - 2451/4.0=4, 2480/1.8=3...(4) HA CYS 45 - HD2 PRO 81 lone 8 98 - 8 - 2480/1.8=2, 2451/4.0=2...(4) Peak 2479 from cnoeabs.peaks (3.85, 4.12, 58.67 ppm; 3.96 A): 1 out of 6 assignments used, quality = 1.00: * HD2 PRO 81 + HA ILE 80 OK 100 100 - 100 - 3.8=100 HD2 PRO 117 - HA ILE 80 OK 10 73 - 14 - 2488/3.8=8, 3.0/11168=5 HA LEU 62 - HA ILE 80 lone 5 87 - 6 - 2488/3.8=3, ~11932=2 HA LEU 123 - HA ILE 80 lone 3 96 - 3 - HB3 SER 33 - HA ILE 80 lone 1 100 - 1 - HA GLU 40 - HA ILE 80 lone 0 57 - 1 - Peak 2480 from cnoeabs.peaks (4.12, 4.04, 51.18 ppm; 3.77 A): 1 out of 4 assignments used, quality = 1.00: * HA ILE 80 + HD3 PRO 81 OK 100 100 - 100 - 3.8=100 HA ALA 52 - HD3 PRO 81 OK 20 81 - 26 - 2478/1.8=5, 9238/2.3=5...(9) HA3 GLY 114 - HD3 PRO 81 OK 14 100 - 14 - 2451/4.0=4, 2478/1.8=3...(5) HA CYS 45 - HD3 PRO 81 lone 9 98 - 9 - 2451/4.0=2, 2478/1.8=2...(4) Peak 2481 from cnoeabs.peaks (4.04, 4.12, 58.67 ppm; 3.16 A): 1 out of 4 assignments used, quality = 0.72: * HD3 PRO 81 + HA ILE 80 OK 72 100 - 72 - 3.8=59, 1.8/2478=19...(6) HA LEU 96 - HA ILE 80 lone 3 96 - 3 - 2485/3.8=2 HB3 SER 124 - HA ILE 80 lone 2 73 - 3 - 2485/3.8=2 HA ALA 92 - HA ILE 80 lone 2 57 - 3 - 11178/4.2=2 Peak 2482 from cnoeabs.peaks (2.00, 3.85, 51.18 ppm; 3.38 A): 2 out of 9 assignments used, quality = 1.00: * HG2 PRO 81 + HD2 PRO 81 OK 100 100 - 100 - 2.3=100 HB ILE 129 + HD2 PRO 81 OK 55 96 - 58 - ~9714=9, 2486/1.8=8...(20) HB3 LEU 53 - HD2 PRO 81 OK 30 92 - 33 - ~11900=6, 2486/1.8=5...(12) HB3 PRO 56 - HD2 PRO 81 lone 10 99 - 9 - 2486/1.8=2 HB2 GLU 91 - HD2 PRO 81 lone 6 96 - 6 - HG3 PRO 56 - HD2 PRO 81 lone 5 65 - 8 - HG2 PRO 56 - HD2 PRO 81 lone 5 65 - 8 - HB VAL 20 - HD2 PRO 81 lone 4 98 - 4 - HB2 GLU 55 - HD2 PRO 81 lone 2 73 - 3 - Peak 2483 from cnoeabs.peaks (2.05, 3.85, 51.18 ppm; 3.45 A): 3 out of 8 assignments used, quality = 1.00: * HG3 PRO 81 + HD2 PRO 81 OK 100 100 - 100 - 2.3=100 HG3 PRO 117 + HD2 PRO 81 OK 77 100 - 78 - 2491/2.3=10, 2497/1.8=9...(34) HG2 PRO 117 + HD2 PRO 81 OK 76 98 - 77 - 2491/2.3=10, 2497/1.8=8...(34) HB2 LEU 62 - HD2 PRO 81 OK 26 87 - 30 - ~11896=4, 1.8/1982=3...(18) HB VAL 118 - HD2 PRO 81 OK 17 87 - 20 - ~11537=6, 4.6/11190=5...(6) HB2 GLN 127 - HD2 PRO 81 lone 7 87 - 7 - 4.0/7803=1 HB3 GLU 55 - HD2 PRO 81 lone 2 65 - 3 - QE MET 11 - HD2 PRO 81 lone 0 57 - 1 - Peak 2484 from cnoeabs.peaks (3.85, 3.85, 51.18 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 81 + HD2 PRO 81 OK 100 100 - 100 Peak 2485 from cnoeabs.peaks (4.04, 3.85, 51.18 ppm; 3.44 A): 1 out of 4 assignments used, quality = 1.00: * HD3 PRO 81 + HD2 PRO 81 OK 100 100 - 100 - 1.8=100 HA LEU 96 - HD2 PRO 81 OK 17 96 - 18 - 2493/2.3=4, 11898/3.0=3...(6) HB3 SER 124 - HD2 PRO 81 OK 11 73 - 15 - 2493/2.3=3, 11898/3.0=2...(8) HA ALA 92 - HD2 PRO 81 poor 6 57 - 10 - ~11316=3, 2493/2.3=2...(4) Peak 2486 from cnoeabs.peaks (2.00, 4.04, 51.18 ppm; 3.77 A): 2 out of 9 assignments used, quality = 1.00: * HG2 PRO 81 + HD3 PRO 81 OK 100 100 - 100 - 2.3=100 HB ILE 129 + HD3 PRO 81 OK 64 96 - 67 - ~9714=12, 2482/1.8=10...(20) HB3 LEU 53 - HD3 PRO 81 OK 38 92 - 42 - ~11900=8, 2482/1.8=6...(15) HB3 PRO 56 - HD3 PRO 81 OK 12 99 - 12 - 2482/1.8=2, 11893/3.0=1 HB2 GLU 91 - HD3 PRO 81 lone 7 96 - 7 - ~2871=1, 2482/1.8=1 HG3 PRO 56 - HD3 PRO 81 lone 7 65 - 10 - ~11891=1, ~2482=1, 2482/1.8=1 HG2 PRO 56 - HD3 PRO 81 lone 7 65 - 10 - ~11891=1, ~2482=1, 2482/1.8=1 HB VAL 20 - HD3 PRO 81 lone 5 98 - 5 - HB2 GLU 55 - HD3 PRO 81 lone 3 73 - 4 - Peak 2487 from cnoeabs.peaks (2.05, 4.04, 51.18 ppm; 4.17 A): 3 out of 8 assignments used, quality = 1.00: * HG3 PRO 81 + HD3 PRO 81 OK 100 100 - 100 - 2.3=100 HG3 PRO 117 + HD3 PRO 81 OK 90 100 - 90 - 2497=13, 2.3/2488=12...(32) HG2 PRO 117 + HD3 PRO 81 OK 88 98 - 90 - 2.3/2488=12, 1.8/2497=12...(32) HB2 LEU 62 - HD3 PRO 81 OK 32 87 - 37 - ~11896=6, ~1982=4...(15) HB VAL 118 - HD3 PRO 81 OK 22 87 - 25 - 2.1/11537=14...(7) HB2 GLN 127 - HD3 PRO 81 lone 7 87 - 8 - ~11609=1, ~11608=1 HB3 GLU 55 - HD3 PRO 81 lone 3 65 - 5 - QE MET 11 - HD3 PRO 81 lone 1 57 - 1 - Peak 2488 from cnoeabs.peaks (3.85, 4.04, 51.18 ppm; 3.48 A): 2 out of 6 assignments used, quality = 1.00: * HD2 PRO 81 + HD3 PRO 81 OK 100 100 - 100 - 1.8=100 HD2 PRO 117 + HD3 PRO 81 OK 51 73 - 69 - 2492/2.3=9, 2.3/2497=8...(28) HA LEU 62 - HD3 PRO 81 OK 16 87 - 19 - 2492/2.3=3, 1963/2.3=3...(9) HA LEU 123 - HD3 PRO 81 lone 5 96 - 5 - HB3 SER 33 - HD3 PRO 81 lone 2 100 - 2 - HA GLU 40 - HD3 PRO 81 lone 1 57 - 1 - Peak 2489 from cnoeabs.peaks (4.04, 4.04, 51.18 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 81 + HD3 PRO 81 OK 100 100 - 100 Peak 2490 from cnoeabs.peaks (2.00, 2.00, 27.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 PRO 81 + HG2 PRO 81 OK 100 100 - 100 Peak 2491 from cnoeabs.peaks (2.05, 2.00, 27.30 ppm; 2.50 A): 3 out of 8 assignments used, quality = 1.00: * HG3 PRO 81 + HG2 PRO 81 OK 100 100 - 100 - 1.8=100 HG3 PRO 117 + HG2 PRO 81 OK 55 100 - 55 - 2494=9, 1.8/2494=5...(32) HG2 PRO 117 + HG2 PRO 81 OK 53 98 - 54 - 2494=8, 1.8/2494=5...(32) HB2 LEU 62 - HG2 PRO 81 OK 11 87 - 13 - ~11896=2, 2483/2.3=1...(5) HB VAL 118 - HG2 PRO 81 lone 7 87 - 8 - ~11537=3, 4.6/11914=2 HB2 GLN 127 - HG2 PRO 81 lone 2 87 - 2 - HB3 GLU 55 - HG2 PRO 81 lone 1 65 - 2 - QE MET 11 - HG2 PRO 81 lone 0 57 - 0 - Peak 2492 from cnoeabs.peaks (3.85, 2.00, 27.30 ppm; 3.58 A): 2 out of 6 assignments used, quality = 1.00: * HD2 PRO 81 + HG2 PRO 81 OK 100 100 - 100 - 2.3=100 HD2 PRO 117 + HG2 PRO 81 OK 54 73 - 74 - 2.3/2491=10, 2.3/2491=10...(27) HA LEU 62 - HG2 PRO 81 OK 17 87 - 19 - 2488/2.3=3, 1963/1.8=3...(10) HA LEU 123 - HG2 PRO 81 lone 4 96 - 4 - HB3 SER 33 - HG2 PRO 81 lone 3 100 - 3 - HA GLU 40 - HG2 PRO 81 lone 1 57 - 1 - Peak 2493 from cnoeabs.peaks (4.04, 2.00, 27.30 ppm; 3.67 A): 1 out of 4 assignments used, quality = 1.00: * HD3 PRO 81 + HG2 PRO 81 OK 100 100 - 100 - 2.3=100 HA LEU 96 - HG2 PRO 81 OK 19 96 - 20 - 2485/2.3=5, 11898/2.3=4...(8) HB3 SER 124 - HG2 PRO 81 OK 13 73 - 17 - 1.8/1595=4, 11898/2.3=3...(6) HA ALA 92 - HG2 PRO 81 poor 8 57 - 13 - ~11316=4, 2.9/7252=3...(4) Peak 2494 from cnoeabs.peaks (2.00, 2.05, 27.30 ppm; 2.50 A): 3 out of 27 assignments used, quality = 1.00: * HG2 PRO 81 + HG3 PRO 81 OK 99 99 - 100 - 1.8=100 HG2 PRO 81 + HG3 PRO 117 OK 56 100 - 56 - 2491=12, 2491/1.8=7...(30) HG2 PRO 81 + HG2 PRO 117 OK 49 87 - 56 - 2491=12, 2491/1.8=7...(30) HB ILE 129 - HG3 PRO 81 OK 32 94 - 34 - ~9714=5, 2482/2.3=4...(16) HB3 LEU 53 - HG3 PRO 81 OK 19 90 - 21 - ~11900=3, 11893/2.3=3...(10) HB3 PRO 56 - HG3 PRO 117 lone 7 99 - 7 - ~3681=1, ~3673=1 HB3 PRO 56 - HG2 PRO 117 lone 6 85 - 7 - ~3681=1, ~3673=1 HG2 PRO 56 - HG3 PRO 117 lone 6 65 - 9 - ~3673=1, ~3681=1, ~3697=1 HG3 PRO 56 - HG3 PRO 117 lone 6 65 - 9 - ~3673=1, ~3681=1, ~3697=1 HB3 PRO 56 - HG3 PRO 81 lone 5 98 - 5 - HG2 PRO 56 - HG2 PRO 117 lone 4 50 - 9 - ~3673=1, ~3681=1, ~3697=1 HG3 PRO 56 - HG2 PRO 117 lone 4 50 - 9 - ~3673=1, ~3681=1, ~3697=1 HB ILE 129 - HG3 PRO 117 lone 3 96 - 3 - HB2 GLU 91 - HG3 PRO 81 lone 3 94 - 3 - HG3 PRO 56 - HG3 PRO 81 lone 3 64 - 4 - HG2 PRO 56 - HG3 PRO 81 lone 3 64 - 4 - HB ILE 129 - HG2 PRO 117 lone 3 79 - 3 - HB VAL 20 - HG3 PRO 81 lone 2 97 - 2 - HB2 GLU 55 - HG3 PRO 81 lone 2 71 - 2 - HB2 GLU 55 - HG3 PRO 117 lone 2 73 - 2 - HB VAL 20 - HG3 PRO 117 lone 1 98 - 1 - HB2 GLU 55 - HG2 PRO 117 lone 1 57 - 2 - HB VAL 20 - HG2 PRO 117 lone 1 83 - 1 - HB3 LEU 53 - HG3 PRO 117 lone 1 92 - 1 - HB3 LEU 53 - HG2 PRO 117 lone 1 75 - 1 - HB2 GLU 91 - HG3 PRO 117 lone 0 96 - 0 - HB2 GLU 91 - HG2 PRO 117 lone 0 79 - 0 - Peak 2495 from cnoeabs.peaks (2.05, 2.05, 27.30 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HG3 PRO 117 + HG3 PRO 117 OK 100 100 - 100 * HG3 PRO 81 + HG3 PRO 81 OK 99 99 - 100 HG2 PRO 117 + HG2 PRO 117 OK 83 83 - 100 Peak 2496 from cnoeabs.peaks (3.85, 2.05, 27.30 ppm; 3.13 A): 5 out of 18 assignments used, quality = 1.00: * HD2 PRO 81 + HG3 PRO 81 OK 99 99 - 100 - 2.3=100 HD2 PRO 117 + HG3 PRO 117 OK 73 73 - 100 - 2.3=100 HD2 PRO 81 + HG3 PRO 117 OK 70 100 - 70 - 2483=9, 2.3/2491=9...(31) HD2 PRO 81 + HG2 PRO 117 OK 60 87 - 70 - 2483=9, 2.3/2491=9...(31) HD2 PRO 117 + HG2 PRO 117 OK 57 57 - 100 - 2.3=100 HD2 PRO 117 - HG3 PRO 81 OK 41 71 - 58 - 2492/1.8=9, 2488/2.3=8...(18) HA LEU 62 - HG3 PRO 81 OK 17 85 - 20 - 2492/1.8=3, 2488/2.3=2...(11) HA LEU 62 - HG3 PRO 117 lone 8 87 - 9 - 1963/1.8=1 HA LEU 62 - HG2 PRO 117 lone 6 70 - 9 - HA LEU 123 - HG3 PRO 81 lone 4 94 - 5 - HB3 SER 33 - HG3 PRO 81 lone 2 99 - 2 - HB3 SER 33 - HG3 PRO 117 lone 2 100 - 2 - HB3 SER 33 - HG2 PRO 117 lone 2 87 - 2 - HA LEU 123 - HG3 PRO 117 lone 1 96 - 1 - HA LEU 123 - HG2 PRO 117 lone 1 79 - 1 - HA GLU 40 - HG3 PRO 81 lone 1 56 - 1 - HA GLU 40 - HG3 PRO 117 lone 0 57 - 1 - HA GLU 40 - HG2 PRO 117 lone 0 44 - 1 - Peak 2497 from cnoeabs.peaks (4.04, 2.05, 27.30 ppm; 3.65 A): 3 out of 12 assignments used, quality = 1.00: * HD3 PRO 81 + HG3 PRO 81 OK 99 99 - 100 - 2.3=100 HD3 PRO 81 + HG3 PRO 117 OK 82 100 - 82 - 2.3/2491=11, 2488/2.3=10...(32) HD3 PRO 81 + HG2 PRO 117 OK 71 87 - 82 - 2.3/2491=10, 2488/2.3=10...(32) HA LEU 96 - HG3 PRO 81 OK 21 94 - 22 - 2493/1.8=5, 2485/2.3=5...(7) HB3 SER 124 - HG3 PRO 81 OK 13 71 - 18 - 2493/1.8=3, 11898/2.3=3...(6) HA ALA 92 - HG3 PRO 81 poor 8 56 - 14 - 2.1/11316=6, 2493/1.8=2...(5) HA ALA 92 - HG3 PRO 117 lone 3 57 - 6 - 2.1/11316=2, ~11319=1, ~11316=1 HA ALA 92 - HG2 PRO 117 lone 2 44 - 5 - 2.1/11316=2, ~11316=2, ~11319=1 HA LEU 96 - HG3 PRO 117 lone 2 96 - 2 - HB3 SER 124 - HG3 PRO 117 lone 2 73 - 2 - HA LEU 96 - HG2 PRO 117 lone 2 79 - 2 - HB3 SER 124 - HG2 PRO 117 lone 1 57 - 2 - Peak 2498 from cnoeabs.peaks (2.44, 2.44, 33.62 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 82 + HG2 GLN 82 OK 100 100 - 100 Peak 2499 from cnoeabs.peaks (2.45, 2.44, 33.62 ppm; diagonal): 1 out of 1 assignment used, quality = 0.65: HG2 GLN 82 + HG2 GLN 82 OK 65 65 - 100 Reference assignment not found: HG3 GLN 82 - HG2 GLN 82 Peak 2500 from cnoeabs.peaks (6.94, 2.44, 33.62 ppm; 4.65 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 82 + HG2 GLN 82 OK 100 100 - 100 - 3.5=100 Peak 2501 from cnoeabs.peaks (7.64, 2.44, 33.62 ppm; 3.60 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 82 + HG2 GLN 82 OK 100 100 - 100 - 3.5=100 Peak 2502 from cnoeabs.peaks (2.44, 2.45, 33.62 ppm; diagonal): 1 out of 1 assignment used, quality = 0.65: HG3 GLN 82 + HG3 GLN 82 OK 65 65 - 100 Reference assignment not found: HG2 GLN 82 - HG3 GLN 82 Peak 2503 from cnoeabs.peaks (2.45, 2.45, 33.62 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 82 + HG3 GLN 82 OK 100 100 - 100 Peak 2504 from cnoeabs.peaks (6.94, 2.45, 33.62 ppm; 4.34 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 82 + HG3 GLN 82 OK 100 100 - 100 - 3.5=100 Peak 2505 from cnoeabs.peaks (7.64, 2.45, 33.62 ppm; 3.58 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 82 + HG3 GLN 82 OK 100 100 - 100 - 3.5=100 Peak 2506 from cnoeabs.peaks (3.75, 3.75, 66.49 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA THR 83 + HA THR 83 OK 100 100 - 100 Peak 2507 from cnoeabs.peaks (4.17, 3.75, 66.49 ppm; 4.63 A): 1 out of 2 assignments used, quality = 1.00: * HB THR 83 + HA THR 83 OK 100 100 - 100 - 3.0=100 HA LEU 53 - HA THR 83 poor 9 57 - 16 - ~1655=3, ~1646=3...(6) Peak 2508 from cnoeabs.peaks (1.24, 3.75, 66.49 ppm; 3.90 A): 1 out of 2 assignments used, quality = 1.00: * QG2 THR 83 + HA THR 83 OK 100 100 - 100 - 3.2=100 QG2 THR 54 - HA THR 83 lone 10 100 - 9 - 2515/3.0=2, 7089/3.6=2...(5) Peak 2509 from cnoeabs.peaks (9.00, 3.75, 66.49 ppm; 5.34 A): 1 out of 1 assignment used, quality = 0.99: * H ARG 84 + HA THR 83 OK 99 99 - 100 - 3.6=100 Peak 2510 from cnoeabs.peaks (8.34, 3.75, 66.49 ppm; 5.34 A): 1 out of 3 assignments used, quality = 0.97: * H LYS 86 + HA THR 83 OK 97 100 - 97 - 7129=50, 4.0/2636=35...(11) H GLU 44 - HA THR 83 OK 15 81 - 18 - 7098/3.6=6, 11241/3.2=5...(5) H LYS 19 - HA THR 83 poor 8 65 - 13 - 2625/2624=3, 2637/2636=2...(6) Peak 2511 from cnoeabs.peaks (1.79, 3.75, 66.49 ppm; 5.17 A): 1 out of 4 assignments used, quality = 0.94: * HB2 LYS 86 + HA THR 83 OK 94 100 - 94 - 1.8/2636=46, 2624=42...(8) HB3 LEU 123 - HA THR 83 OK 20 34 - 59 - 1.8/9755=31, ~11583=10...(7) HB3 LEU 122 - HA THR 83 OK 17 100 - 17 - 2639/2636=4, 7139/7129=3...(5) HB3 LEU 103 - HA THR 83 OK 14 99 - 14 - 7139/7129=3, 2639/2636=3...(5) Peak 2512 from cnoeabs.peaks (1.95, 3.75, 66.49 ppm; 4.89 A): 2 out of 4 assignments used, quality = 0.92: * HB3 LYS 86 + HA THR 83 OK 91 100 - 91 - 2636=50, 1.8/2624=33...(8) HB3 ARG 90 + HA THR 83 OK 13 96 - 13 - 7157/7150=4, 7140/7129=3...(4) HB2 GLU 30 - HA THR 83 lone 6 100 - 6 - 7140/7129=2, 2628/2624=2 HB2 PRO 58 - HA THR 83 lone 4 87 - 5 - 2628/2624=1 Peak 2513 from cnoeabs.peaks (3.75, 4.17, 68.68 ppm; 3.84 A): 1 out of 1 assignment used, quality = 1.00: * HA THR 83 + HB THR 83 OK 100 100 - 100 - 3.0=100 Peak 2514 from cnoeabs.peaks (4.17, 4.17, 68.68 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 83 + HB THR 83 OK 100 100 - 100 Peak 2515 from cnoeabs.peaks (1.24, 4.17, 68.68 ppm; 2.98 A): 1 out of 2 assignments used, quality = 1.00: * QG2 THR 83 + HB THR 83 OK 100 100 - 100 - 2.1=100 QG2 THR 54 - HB THR 83 lone 6 100 - 6 - 2508/3.0=2 Peak 2516 from cnoeabs.peaks (9.00, 4.17, 68.68 ppm; 3.51 A): 1 out of 1 assignment used, quality = 0.86: * H ARG 84 + HB THR 83 OK 86 99 - 87 - 4.4=51, 2520/2.1=31...(10) Peak 2517 from cnoeabs.peaks (3.75, 1.24, 22.04 ppm; 3.19 A): 1 out of 1 assignment used, quality = 0.99: * HA THR 83 + QG2 THR 83 OK 99 100 - 99 - 3.2=99 Peak 2518 from cnoeabs.peaks (4.17, 1.24, 22.04 ppm; 2.80 A): 1 out of 2 assignments used, quality = 1.00: * HB THR 83 + QG2 THR 83 OK 100 100 - 100 - 2.1=100 HA LEU 53 - QG2 THR 83 poor 8 57 - 13 - 4.3/9760=7, 3.6/6684=2...(4) Peak 2519 from cnoeabs.peaks (1.24, 1.24, 22.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 83 + QG2 THR 83 OK 100 100 - 100 Peak 2520 from cnoeabs.peaks (9.00, 1.24, 22.04 ppm; 3.71 A): 1 out of 1 assignment used, quality = 0.89: * H ARG 84 + QG2 THR 83 OK 89 99 - 90 - 4.3=63, 7088/2.1=37...(7) Peak 2521 from cnoeabs.peaks (9.00, 4.25, 59.13 ppm; 4.18 A): 1 out of 1 assignment used, quality = 0.99: * H ARG 84 + HA ARG 84 OK 99 99 - 100 - 2.8=100 Peak 2522 from cnoeabs.peaks (4.25, 4.25, 59.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ARG 84 + HA ARG 84 OK 100 100 - 100 Peak 2523 from cnoeabs.peaks (1.81, 4.25, 59.13 ppm; 3.98 A): 1 out of 8 assignments used, quality = 1.00: * HB2 ARG 84 + HA ARG 84 OK 100 100 - 100 - 3.0=100 HB3 ARG 135 - HA ARG 84 OK 39 65 - 60 - 3.0/11275=15...(19) HB3 LEU 123 - HA ARG 84 poor 8 56 - 15 - 3.2/9784=11 HB3 LYS 31 - HA ARG 84 lone 7 98 - 7 - 7091/2.8=2, 2544/3.0=1 HB3 LYS 19 - HA ARG 84 lone 7 98 - 7 - 7091/2.8=1, 7103/3.6=1 HB3 LYS 24 - HA ARG 84 lone 4 92 - 4 - HB ILE 32 - HA ARG 84 lone 2 65 - 3 - HB2 LYS 36 - HA ARG 84 lone 1 73 - 2 - Peak 2524 from cnoeabs.peaks (1.90, 4.25, 59.13 ppm; 3.86 A): 2 out of 6 assignments used, quality = 1.00: * HB3 ARG 84 + HA ARG 84 OK 100 100 - 100 - 3.0=100 HB2 ARG 135 + HA ARG 84 OK 59 99 - 60 - 3.0/11275=14, 2536/3.0=9...(21) HB3 LEU 123 - HA ARG 84 poor 9 66 - 14 - 3.2/9784=11 HB2 PRO 113 - HA ARG 84 lone 9 87 - 9 - 2536/3.0=1 HB2 GLU 40 - HA ARG 84 lone 8 92 - 9 - 4306/11275=1, 2536/3.0=1 HB2 ARG 90 - HA ARG 84 lone 3 65 - 5 - Peak 2525 from cnoeabs.peaks (1.64, 4.25, 59.13 ppm; 4.15 A): 2 out of 3 assignments used, quality = 1.00: HG3 ARG 84 + HA ARG 84 OK 100 100 - 100 - 3.9=100 * HG2 ARG 84 + HA ARG 84 OK 100 100 - 100 - 3.9=100 HG LEU 43 - HA ARG 84 lone 5 87 - 5 - 7105/3.6=1 Peak 2526 from cnoeabs.peaks (1.64, 4.25, 59.13 ppm; 4.15 A): 2 out of 3 assignments used, quality = 1.00: * HG3 ARG 84 + HA ARG 84 OK 100 100 - 100 - 3.9=100 HG2 ARG 84 + HA ARG 84 OK 100 100 - 100 - 3.9=100 HG LEU 43 - HA ARG 84 lone 5 87 - 5 - 7105/3.6=1 Peak 2527 from cnoeabs.peaks (3.20, 4.25, 59.13 ppm; 4.49 A): 2 out of 3 assignments used, quality = 1.00: HD3 ARG 84 + HA ARG 84 OK 99 100 - 99 - 5.0=73, 1.8/2570=20...(27) * HD2 ARG 84 + HA ARG 84 OK 99 100 - 99 - 5.0=73, 1.8/2570=20...(27) HB3 CYS 125 - HA ARG 84 lone 4 73 - 5 - Peak 2528 from cnoeabs.peaks (3.20, 4.25, 59.13 ppm; 4.49 A): 2 out of 3 assignments used, quality = 1.00: * HD3 ARG 84 + HA ARG 84 OK 99 100 - 99 - 5.0=73, 1.8/2570=20...(27) HD2 ARG 84 + HA ARG 84 OK 99 100 - 99 - 5.0=73, 1.8/2570=20...(27) HB3 CYS 125 - HA ARG 84 lone 4 73 - 5 - Peak 2529 from cnoeabs.peaks (7.27, 4.25, 59.13 ppm; 4.58 A): 2 out of 3 assignments used, quality = 1.00: * H ASN 85 + HA ARG 84 OK 100 100 - 100 - 3.6=100 QE PHE 87 + HA ARG 84 OK 68 99 - 69 - 4.4/2725=17, 4.4/2734=17...(15) HD2 HIS 10 - HA ARG 84 OK 15 92 - 15 - 2550/3.0=3, 2541/3.0=3...(7) Peak 2530 from cnoeabs.peaks (8.12, 4.25, 59.13 ppm; 4.38 A): 1 out of 3 assignments used, quality = 0.89: * H PHE 87 + HA ARG 84 OK 89 100 - 89 - 7151=45, 4.3/7173=25...(11) H ASN 121 - HA ARG 84 lone 9 92 - 10 - 7115/3.6=3, 7147/7131=2...(4) H GLU 91 - HA ARG 84 lone 5 65 - 8 - 7177/7173=3, 7115/3.6=1 Peak 2531 from cnoeabs.peaks (3.23, 4.25, 59.13 ppm; 4.36 A): 3 out of 5 assignments used, quality = 0.97: * HB2 PHE 87 + HA ARG 84 OK 77 100 - 78 - 4.0/7151=28, 2725=26...(10) HB3 PHE 87 + HA ARG 84 OK 73 96 - 76 - 4.0/7151=28, 1.8/2725=26...(11) HD3 ARG 135 + HA ARG 84 OK 58 96 - 61 - 5.0/11275=13...(18) HB3 HIS 4 - HA ARG 84 lone 1 99 - 1 - HB2 HIS 5 - HA ARG 84 lone 1 99 - 1 - Peak 2532 from cnoeabs.peaks (3.23, 4.25, 59.13 ppm; 4.36 A): 3 out of 5 assignments used, quality = 0.98: * HB3 PHE 87 + HA ARG 84 OK 77 100 - 77 - 4.0/7151=28, 2734=26...(11) HB2 PHE 87 + HA ARG 84 OK 73 96 - 77 - 4.0/7151=28, 1.8/2734=26...(11) HD3 ARG 135 + HA ARG 84 OK 62 100 - 62 - 5.0/11275=13...(18) HB3 HIS 4 - HA ARG 84 lone 1 99 - 1 - HB2 HIS 5 - HA ARG 84 lone 1 99 - 1 - Peak 2533 from cnoeabs.peaks (9.00, 1.81, 29.31 ppm; 3.86 A): 1 out of 1 assignment used, quality = 0.98: * H ARG 84 + HB2 ARG 84 OK 98 99 - 99 - 3.9=96, 2542/1.8=39...(10) Peak 2534 from cnoeabs.peaks (4.25, 1.81, 29.31 ppm; 3.72 A): 1 out of 4 assignments used, quality = 1.00: * HA ARG 84 + HB2 ARG 84 OK 100 100 - 100 - 3.0=100 HA GLN 27 - HB2 ARG 84 OK 12 96 - 12 - 2543/1.8=4, 7090/3.9=2...(5) HA SER 124 - HB2 ARG 84 lone 6 81 - 7 - 2543/1.8=2 HA ALA 28 - HB2 ARG 84 lone 2 57 - 4 - 2.1/10790=1 Peak 2535 from cnoeabs.peaks (1.81, 1.81, 29.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 84 + HB2 ARG 84 OK 100 100 - 100 Peak 2536 from cnoeabs.peaks (1.90, 1.81, 29.31 ppm; 2.86 A): 1 out of 6 assignments used, quality = 1.00: * HB3 ARG 84 + HB2 ARG 84 OK 100 100 - 100 - 1.8=100 HB2 ARG 135 - HB2 ARG 84 OK 38 99 - 38 - 2524/3.0=5, ~11275=4...(20) HB2 PRO 113 - HB2 ARG 84 lone 5 87 - 6 - HB2 GLU 40 - HB2 ARG 84 lone 5 92 - 5 - HB3 LEU 123 - HB2 ARG 84 lone 3 66 - 4 - ~9784=2 HB2 ARG 90 - HB2 ARG 84 lone 1 65 - 2 - Peak 2537 from cnoeabs.peaks (1.64, 1.81, 29.31 ppm; 3.26 A): 2 out of 3 assignments used, quality = 1.00: HG3 ARG 84 + HB2 ARG 84 OK 100 100 - 100 - 3.0=100 * HG2 ARG 84 + HB2 ARG 84 OK 100 100 - 100 - 3.0=100 HG LEU 43 - HB2 ARG 84 lone 3 87 - 4 - Peak 2538 from cnoeabs.peaks (1.64, 1.81, 29.31 ppm; 3.26 A): 2 out of 3 assignments used, quality = 1.00: * HG3 ARG 84 + HB2 ARG 84 OK 100 100 - 100 - 3.0=100 HG2 ARG 84 + HB2 ARG 84 OK 100 100 - 100 - 3.0=100 HG LEU 43 - HB2 ARG 84 lone 3 87 - 4 - Peak 2539 from cnoeabs.peaks (3.20, 1.81, 29.31 ppm; 3.92 A): 2 out of 3 assignments used, quality = 1.00: HD3 ARG 84 + HB2 ARG 84 OK 100 100 - 100 - 4.0=94, 2548/1.8=20...(25) * HD2 ARG 84 + HB2 ARG 84 OK 100 100 - 100 - 4.0=94, 2548/1.8=20...(25) HB3 CYS 125 - HB2 ARG 84 lone 3 73 - 4 - ~11591=1 Peak 2540 from cnoeabs.peaks (3.20, 1.81, 29.31 ppm; 3.92 A): 2 out of 3 assignments used, quality = 1.00: * HD3 ARG 84 + HB2 ARG 84 OK 100 100 - 100 - 4.0=94, 2548/1.8=20...(25) HD2 ARG 84 + HB2 ARG 84 OK 100 100 - 100 - 4.0=94, 2548/1.8=20...(25) HB3 CYS 125 - HB2 ARG 84 lone 3 73 - 4 - ~11591=1 Peak 2541 from cnoeabs.peaks (7.27, 1.81, 29.31 ppm; 4.61 A): 1 out of 3 assignments used, quality = 0.99: * H ASN 85 + HB2 ARG 84 OK 99 100 - 99 - 4.7=97, 3.7/2533=34...(9) QE PHE 87 - HB2 ARG 84 OK 41 99 - 42 - 2529/3.0=12, 2550/1.8=11...(8) HD2 HIS 10 - HB2 ARG 84 OK 14 92 - 15 - 2550/1.8=4, 2529/3.0=3...(7) Peak 2542 from cnoeabs.peaks (9.00, 1.90, 29.31 ppm; 3.70 A): 1 out of 1 assignment used, quality = 0.95: * H ARG 84 + HB3 ARG 84 OK 95 99 - 96 - 3.9=85, 2533/1.8=35...(11) Peak 2543 from cnoeabs.peaks (4.25, 1.90, 29.31 ppm; 3.56 A): 1 out of 4 assignments used, quality = 1.00: * HA ARG 84 + HB3 ARG 84 OK 100 100 - 100 - 3.0=100 HA GLN 27 - HB3 ARG 84 OK 11 96 - 11 - 2534/1.8=3, 7090/3.9=2...(5) HA SER 124 - HB3 ARG 84 lone 5 81 - 6 - 2534/1.8=2 HA ALA 28 - HB3 ARG 84 lone 2 57 - 3 - ~10790=1 Peak 2544 from cnoeabs.peaks (1.81, 1.90, 29.31 ppm; 2.85 A): 1 out of 8 assignments used, quality = 1.00: * HB2 ARG 84 + HB3 ARG 84 OK 100 100 - 100 - 1.8=100 HB3 ARG 135 - HB3 ARG 84 OK 28 65 - 43 - ~2536=4, 2.9/4338=4...(22) HB3 LYS 31 - HB3 ARG 84 lone 4 98 - 4 - HB3 LYS 19 - HB3 ARG 84 lone 3 98 - 3 - HB3 LEU 123 - HB3 ARG 84 lone 2 56 - 4 - ~9784=2 HB3 LYS 24 - HB3 ARG 84 lone 2 92 - 2 - HB ILE 32 - HB3 ARG 84 lone 1 65 - 1 - HB2 LYS 36 - HB3 ARG 84 lone 1 73 - 1 - Peak 2545 from cnoeabs.peaks (1.90, 1.90, 29.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ARG 84 + HB3 ARG 84 OK 100 100 - 100 Peak 2546 from cnoeabs.peaks (1.64, 1.90, 29.31 ppm; 3.27 A): 2 out of 3 assignments used, quality = 1.00: HG3 ARG 84 + HB3 ARG 84 OK 100 100 - 100 - 3.0=100 * HG2 ARG 84 + HB3 ARG 84 OK 100 100 - 100 - 3.0=100 HG LEU 43 - HB3 ARG 84 lone 3 87 - 4 - Peak 2547 from cnoeabs.peaks (1.64, 1.90, 29.31 ppm; 3.27 A): 2 out of 3 assignments used, quality = 1.00: * HG3 ARG 84 + HB3 ARG 84 OK 100 100 - 100 - 3.0=100 HG2 ARG 84 + HB3 ARG 84 OK 100 100 - 100 - 3.0=100 HG LEU 43 - HB3 ARG 84 lone 3 87 - 4 - Peak 2548 from cnoeabs.peaks (3.20, 1.90, 29.31 ppm; 3.69 A): 2 out of 3 assignments used, quality = 1.00: HD3 ARG 84 + HB3 ARG 84 OK 98 100 - 98 - 4.0=79, 2539/1.8=17...(27) * HD2 ARG 84 + HB3 ARG 84 OK 98 100 - 98 - 4.0=79, 2539/1.8=17...(27) HB3 CYS 125 - HB3 ARG 84 lone 3 73 - 4 - ~11591=1 Peak 2549 from cnoeabs.peaks (3.20, 1.90, 29.31 ppm; 3.69 A): 2 out of 3 assignments used, quality = 1.00: * HD3 ARG 84 + HB3 ARG 84 OK 98 100 - 98 - 4.0=79, 2539/1.8=17...(27) HD2 ARG 84 + HB3 ARG 84 OK 98 100 - 98 - 4.0=79, 2539/1.8=17...(27) HB3 CYS 125 - HB3 ARG 84 lone 3 73 - 4 - ~11591=1 Peak 2550 from cnoeabs.peaks (7.27, 1.90, 29.31 ppm; 4.40 A): 1 out of 3 assignments used, quality = 0.96: * H ASN 85 + HB3 ARG 84 OK 96 100 - 96 - 4.7=85, 3.7/2542=32...(10) QE PHE 87 - HB3 ARG 84 OK 40 99 - 41 - 2529/3.0=11, 2541/1.8=10...(10) HD2 HIS 10 - HB3 ARG 84 OK 13 92 - 14 - 2541/1.8=4, 2529/3.0=2...(7) Peak 2551 from cnoeabs.peaks (9.00, 1.64, 26.79 ppm; 4.68 A): 2 out of 2 assignments used, quality = 1.00: H ARG 84 + HG3 ARG 84 OK 99 99 - 100 - 4.6=100 * H ARG 84 + HG2 ARG 84 OK 99 99 - 100 - 4.6=100 Peak 2552 from cnoeabs.peaks (4.25, 1.64, 26.79 ppm; 3.77 A): 2 out of 8 assignments used, quality = 1.00: HA ARG 84 + HG3 ARG 84 OK 99 100 - 99 - 3.9=92, 2.8/7094=16...(27) * HA ARG 84 + HG2 ARG 84 OK 99 100 - 99 - 3.9=92, 2.8/7094=16...(27) HA GLN 27 - HG2 ARG 84 poor 10 96 - 10 - 2534/3.0=3, 2543/3.0=3...(5) HA GLN 27 - HG3 ARG 84 poor 10 96 - 10 - 2534/3.0=3, 2543/3.0=3...(5) HA SER 124 - HG3 ARG 84 lone 5 81 - 6 - 2534/3.0=1, 2543/3.0=1 HA SER 124 - HG2 ARG 84 lone 5 81 - 6 - 2534/3.0=1, 2543/3.0=1 HA ALA 28 - HG2 ARG 84 lone 2 57 - 3 - HA ALA 28 - HG3 ARG 84 lone 2 57 - 3 - Peak 2553 from cnoeabs.peaks (1.81, 1.64, 26.79 ppm; 2.92 A): 2 out of 16 assignments used, quality = 1.00: * HB2 ARG 84 + HG2 ARG 84 OK 98 100 - 98 - 3.0=94, 2533/4.6=10...(20) HB2 ARG 84 + HG3 ARG 84 OK 98 100 - 98 - 3.0=94, 2533/4.6=10...(20) HB3 ARG 135 - HG3 ARG 84 OK 18 65 - 28 - 2544/3.0=5, 1.8/2554=3...(14) HB3 ARG 135 - HG2 ARG 84 OK 18 65 - 28 - 2544/3.0=5, 1.8/2554=3...(14) HB3 LYS 31 - HG3 ARG 84 lone 3 98 - 3 - HB3 LYS 31 - HG2 ARG 84 lone 3 98 - 3 - HB3 LYS 19 - HG2 ARG 84 lone 3 98 - 3 - HB3 LYS 19 - HG3 ARG 84 lone 3 98 - 3 - HB3 LYS 24 - HG3 ARG 84 lone 2 92 - 2 - HB3 LYS 24 - HG2 ARG 84 lone 2 92 - 2 - HB3 LEU 123 - HG3 ARG 84 lone 1 56 - 2 - HB3 LEU 123 - HG2 ARG 84 lone 1 56 - 2 - HB ILE 32 - HG3 ARG 84 lone 1 65 - 1 - HB ILE 32 - HG2 ARG 84 lone 1 65 - 1 - HB2 LYS 36 - HG3 ARG 84 lone 1 73 - 1 - HB2 LYS 36 - HG2 ARG 84 lone 1 73 - 1 - Peak 2554 from cnoeabs.peaks (1.90, 1.64, 26.79 ppm; 3.45 A): 2 out of 12 assignments used, quality = 1.00: * HB3 ARG 84 + HG2 ARG 84 OK 100 100 - 100 - 3.0=100 HB3 ARG 84 + HG3 ARG 84 OK 100 100 - 100 - 3.0=100 HB2 ARG 135 - HG2 ARG 84 OK 38 99 - 39 - 2536/3.0=8, 2524/3.9=6...(16) HB2 ARG 135 - HG3 ARG 84 OK 38 99 - 39 - 2536/3.0=8, 2524/3.9=6...(16) HB2 PRO 113 - HG2 ARG 84 lone 6 87 - 7 - 2536/3.0=1 HB2 PRO 113 - HG3 ARG 84 lone 6 87 - 7 - 2536/3.0=1 HB2 GLU 40 - HG3 ARG 84 lone 5 92 - 5 - 2536/3.0=1 HB2 GLU 40 - HG2 ARG 84 lone 5 92 - 5 - 2536/3.0=1 HB3 LEU 123 - HG3 ARG 84 lone 2 66 - 3 - HB3 LEU 123 - HG2 ARG 84 lone 2 66 - 3 - HB2 ARG 90 - HG2 ARG 84 lone 2 65 - 3 - HB2 ARG 90 - HG3 ARG 84 lone 2 65 - 3 - Peak 2555 from cnoeabs.peaks (1.64, 1.64, 26.79 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG3 ARG 84 + HG3 ARG 84 OK 100 100 - 100 * HG2 ARG 84 + HG2 ARG 84 OK 100 100 - 100 Peak 2556 from cnoeabs.peaks (1.64, 1.64, 26.79 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG3 ARG 84 + HG3 ARG 84 OK 100 100 - 100 HG2 ARG 84 + HG2 ARG 84 OK 100 100 - 100 Reference assignment not found: HG3 ARG 84 - HG2 ARG 84 Peak 2557 from cnoeabs.peaks (3.20, 1.64, 26.79 ppm; 3.09 A): 4 out of 6 assignments used, quality = 1.00: HD3 ARG 84 + HG2 ARG 84 OK 100 100 - 100 - 3.0=100 HD3 ARG 84 + HG3 ARG 84 OK 100 100 - 100 - 3.0=100 * HD2 ARG 84 + HG2 ARG 84 OK 100 100 - 100 - 3.0=100 HD2 ARG 84 + HG3 ARG 84 OK 100 100 - 100 - 3.0=100 HB3 CYS 125 - HG3 ARG 84 lone 2 73 - 3 - HB3 CYS 125 - HG2 ARG 84 lone 2 73 - 3 - Peak 2558 from cnoeabs.peaks (3.20, 1.64, 26.79 ppm; 3.09 A): 4 out of 6 assignments used, quality = 1.00: * HD3 ARG 84 + HG2 ARG 84 OK 100 100 - 100 - 3.0=100 HD3 ARG 84 + HG3 ARG 84 OK 100 100 - 100 - 3.0=100 HD2 ARG 84 + HG2 ARG 84 OK 100 100 - 100 - 3.0=100 HD2 ARG 84 + HG3 ARG 84 OK 100 100 - 100 - 3.0=100 HB3 CYS 125 - HG3 ARG 84 lone 2 73 - 3 - HB3 CYS 125 - HG2 ARG 84 lone 2 73 - 3 - Peak 2559 from cnoeabs.peaks (7.27, 1.64, 26.79 ppm; 4.80 A): 2 out of 6 assignments used, quality = 0.98: * H ASN 85 + HG2 ARG 84 OK 85 100 - 85 - 7106=24, 2550/3.0=23...(10) H ASN 85 + HG3 ARG 84 OK 85 100 - 85 - 7106=24, 2550/3.0=23...(10) QE PHE 87 - HG2 ARG 84 OK 40 99 - 41 - 2529/3.9=11, 2550/3.0=10...(7) QE PHE 87 - HG3 ARG 84 OK 40 99 - 41 - 2529/3.9=11, 2550/3.0=10...(7) HD2 HIS 10 - HG3 ARG 84 OK 14 92 - 15 - 2550/3.0=3, 2541/3.0=3...(6) HD2 HIS 10 - HG2 ARG 84 OK 14 92 - 15 - 2550/3.0=3, 2541/3.0=3...(6) Peak 2560 from cnoeabs.peaks (9.00, 1.64, 26.79 ppm; 4.68 A): 2 out of 2 assignments used, quality = 1.00: * H ARG 84 + HG3 ARG 84 OK 99 99 - 100 - 4.6=100 H ARG 84 + HG2 ARG 84 OK 99 99 - 100 - 4.6=100 Peak 2561 from cnoeabs.peaks (4.25, 1.64, 26.79 ppm; 3.77 A): 2 out of 8 assignments used, quality = 1.00: * HA ARG 84 + HG3 ARG 84 OK 99 100 - 99 - 3.9=92, 2.8/7094=16...(27) HA ARG 84 + HG2 ARG 84 OK 99 100 - 99 - 3.9=92, 2.8/7094=16...(27) HA GLN 27 - HG2 ARG 84 poor 10 96 - 10 - 2534/3.0=3, 2543/3.0=3...(5) HA GLN 27 - HG3 ARG 84 poor 10 96 - 10 - 2534/3.0=3, 2543/3.0=3...(5) HA SER 124 - HG3 ARG 84 lone 5 81 - 6 - 2534/3.0=1, 2543/3.0=1 HA SER 124 - HG2 ARG 84 lone 5 81 - 6 - 2534/3.0=1, 2543/3.0=1 HA ALA 28 - HG2 ARG 84 lone 2 57 - 3 - HA ALA 28 - HG3 ARG 84 lone 2 57 - 3 - Peak 2562 from cnoeabs.peaks (1.81, 1.64, 26.79 ppm; 2.92 A): 2 out of 16 assignments used, quality = 1.00: HB2 ARG 84 + HG2 ARG 84 OK 98 100 - 98 - 3.0=94, 2533/4.6=10...(20) * HB2 ARG 84 + HG3 ARG 84 OK 98 100 - 98 - 3.0=94, 2533/4.6=10...(20) HB3 ARG 135 - HG3 ARG 84 OK 18 65 - 28 - 2544/3.0=5, 1.8/2554=3...(14) HB3 ARG 135 - HG2 ARG 84 OK 18 65 - 28 - 2544/3.0=5, 1.8/2554=3...(14) HB3 LYS 31 - HG3 ARG 84 lone 3 98 - 3 - HB3 LYS 31 - HG2 ARG 84 lone 3 98 - 3 - HB3 LYS 19 - HG2 ARG 84 lone 3 98 - 3 - HB3 LYS 19 - HG3 ARG 84 lone 3 98 - 3 - HB3 LYS 24 - HG3 ARG 84 lone 2 92 - 2 - HB3 LYS 24 - HG2 ARG 84 lone 2 92 - 2 - HB3 LEU 123 - HG3 ARG 84 lone 1 56 - 2 - HB3 LEU 123 - HG2 ARG 84 lone 1 56 - 2 - HB ILE 32 - HG3 ARG 84 lone 1 65 - 1 - HB ILE 32 - HG2 ARG 84 lone 1 65 - 1 - HB2 LYS 36 - HG3 ARG 84 lone 1 73 - 1 - HB2 LYS 36 - HG2 ARG 84 lone 1 73 - 1 - Peak 2563 from cnoeabs.peaks (1.90, 1.64, 26.79 ppm; 3.45 A): 2 out of 12 assignments used, quality = 1.00: HB3 ARG 84 + HG2 ARG 84 OK 100 100 - 100 - 3.0=100 * HB3 ARG 84 + HG3 ARG 84 OK 100 100 - 100 - 3.0=100 HB2 ARG 135 - HG2 ARG 84 OK 38 99 - 39 - 2536/3.0=8, 2524/3.9=6...(16) HB2 ARG 135 - HG3 ARG 84 OK 38 99 - 39 - 2536/3.0=8, 2524/3.9=6...(16) HB2 PRO 113 - HG2 ARG 84 lone 6 87 - 7 - 2536/3.0=1 HB2 PRO 113 - HG3 ARG 84 lone 6 87 - 7 - 2536/3.0=1 HB2 GLU 40 - HG3 ARG 84 lone 5 92 - 5 - 2536/3.0=1 HB2 GLU 40 - HG2 ARG 84 lone 5 92 - 5 - 2536/3.0=1 HB3 LEU 123 - HG3 ARG 84 lone 2 66 - 3 - HB3 LEU 123 - HG2 ARG 84 lone 2 66 - 3 - HB2 ARG 90 - HG2 ARG 84 lone 2 65 - 3 - HB2 ARG 90 - HG3 ARG 84 lone 2 65 - 3 - Peak 2564 from cnoeabs.peaks (1.64, 1.64, 26.79 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG3 ARG 84 + HG3 ARG 84 OK 100 100 - 100 HG2 ARG 84 + HG2 ARG 84 OK 100 100 - 100 Reference assignment not found: HG2 ARG 84 - HG3 ARG 84 Peak 2565 from cnoeabs.peaks (1.64, 1.64, 26.79 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 ARG 84 + HG3 ARG 84 OK 100 100 - 100 HG2 ARG 84 + HG2 ARG 84 OK 100 100 - 100 Peak 2566 from cnoeabs.peaks (3.20, 1.64, 26.79 ppm; 3.09 A): 4 out of 6 assignments used, quality = 1.00: HD3 ARG 84 + HG2 ARG 84 OK 100 100 - 100 - 3.0=100 HD3 ARG 84 + HG3 ARG 84 OK 100 100 - 100 - 3.0=100 HD2 ARG 84 + HG2 ARG 84 OK 100 100 - 100 - 3.0=100 * HD2 ARG 84 + HG3 ARG 84 OK 100 100 - 100 - 3.0=100 HB3 CYS 125 - HG3 ARG 84 lone 2 73 - 3 - HB3 CYS 125 - HG2 ARG 84 lone 2 73 - 3 - Peak 2567 from cnoeabs.peaks (3.20, 1.64, 26.79 ppm; 3.09 A): 4 out of 6 assignments used, quality = 1.00: HD3 ARG 84 + HG2 ARG 84 OK 100 100 - 100 - 3.0=100 * HD3 ARG 84 + HG3 ARG 84 OK 100 100 - 100 - 3.0=100 HD2 ARG 84 + HG2 ARG 84 OK 100 100 - 100 - 3.0=100 HD2 ARG 84 + HG3 ARG 84 OK 100 100 - 100 - 3.0=100 HB3 CYS 125 - HG3 ARG 84 lone 2 73 - 3 - HB3 CYS 125 - HG2 ARG 84 lone 2 73 - 3 - Peak 2568 from cnoeabs.peaks (7.27, 1.64, 26.79 ppm; 4.80 A): 2 out of 6 assignments used, quality = 0.98: H ASN 85 + HG2 ARG 84 OK 85 100 - 85 - 7106=24, 2550/3.0=23...(10) * H ASN 85 + HG3 ARG 84 OK 85 100 - 85 - 7106=24, 2550/3.0=23...(10) QE PHE 87 - HG2 ARG 84 OK 40 99 - 41 - 2529/3.9=11, 2550/3.0=10...(7) QE PHE 87 - HG3 ARG 84 OK 40 99 - 41 - 2529/3.9=11, 2550/3.0=10...(7) HD2 HIS 10 - HG3 ARG 84 OK 14 92 - 15 - 2550/3.0=3, 2541/3.0=3...(6) HD2 HIS 10 - HG2 ARG 84 OK 14 92 - 15 - 2550/3.0=3, 2541/3.0=3...(6) Peak 2569 from cnoeabs.peaks (9.00, 3.20, 43.15 ppm; 4.19 A): 2 out of 2 assignments used, quality = 0.99: H ARG 84 + HD3 ARG 84 OK 93 99 - 94 - 5.7=40, 2542/4.0=28...(16) * H ARG 84 + HD2 ARG 84 OK 93 99 - 94 - 5.7=40, 2542/4.0=28...(16) Peak 2570 from cnoeabs.peaks (4.25, 3.20, 43.15 ppm; 3.84 A): 2 out of 8 assignments used, quality = 1.00: HA ARG 84 + HD3 ARG 84 OK 95 100 - 95 - 5.0=46, 3.0/2549=15...(27) * HA ARG 84 + HD2 ARG 84 OK 95 100 - 95 - 5.0=46, 3.0/2549=15...(27) HA GLN 27 - HD2 ARG 84 lone 9 96 - 9 - 2534/4.0=2, 2543/4.0=2...(5) HA GLN 27 - HD3 ARG 84 lone 9 96 - 9 - 2534/4.0=2, 2543/4.0=2...(5) HA SER 124 - HD3 ARG 84 lone 5 81 - 6 - 2534/4.0=1, 2543/4.0=1 HA SER 124 - HD2 ARG 84 lone 5 81 - 6 - 2534/4.0=1, 2543/4.0=1 HA ALA 28 - HD2 ARG 84 lone 1 57 - 2 - HA ALA 28 - HD3 ARG 84 lone 1 57 - 2 - Peak 2571 from cnoeabs.peaks (1.81, 3.20, 43.15 ppm; 3.29 A): 2 out of 16 assignments used, quality = 0.99: HB2 ARG 84 + HD3 ARG 84 OK 92 100 - 92 - 4.0=56, 1.8/2548=15...(25) * HB2 ARG 84 + HD2 ARG 84 OK 92 100 - 92 - 4.0=56, 1.8/2548=15...(25) HB3 ARG 135 - HD2 ARG 84 OK 13 65 - 21 - 2544/4.0=4, 1.8/2572=3...(10) HB3 ARG 135 - HD3 ARG 84 OK 13 65 - 21 - 2544/4.0=4, 1.8/2572=3...(10) HB3 LYS 19 - HD3 ARG 84 lone 4 98 - 4 - HB3 LYS 19 - HD2 ARG 84 lone 4 98 - 4 - HB3 LYS 31 - HD2 ARG 84 lone 3 98 - 3 - HB3 LYS 31 - HD3 ARG 84 lone 3 98 - 3 - HB3 LYS 24 - HD3 ARG 84 lone 2 92 - 2 - HB3 LYS 24 - HD2 ARG 84 lone 2 92 - 2 - HB3 LEU 123 - HD3 ARG 84 lone 1 56 - 2 - HB3 LEU 123 - HD2 ARG 84 lone 1 56 - 2 - HB ILE 32 - HD3 ARG 84 lone 1 65 - 1 - HB ILE 32 - HD2 ARG 84 lone 1 65 - 1 - HB2 LYS 36 - HD3 ARG 84 lone 1 73 - 1 - HB2 LYS 36 - HD2 ARG 84 lone 1 73 - 1 - Peak 2572 from cnoeabs.peaks (1.90, 3.20, 43.15 ppm; 3.27 A): 2 out of 12 assignments used, quality = 0.99: * HB3 ARG 84 + HD2 ARG 84 OK 93 100 - 93 - 4.0=55, 2549/1.8=14...(27) HB3 ARG 84 + HD3 ARG 84 OK 93 100 - 93 - 4.0=55, 2549/1.8=14...(27) HB2 ARG 135 - HD2 ARG 84 OK 21 99 - 22 - 2536/4.0=5, 2524/5.0=4...(10) HB2 ARG 135 - HD3 ARG 84 OK 21 99 - 22 - 2536/4.0=5, 2524/5.0=4...(10) HB2 PRO 113 - HD2 ARG 84 lone 3 87 - 3 - HB2 PRO 113 - HD3 ARG 84 lone 3 87 - 3 - HB2 GLU 40 - HD3 ARG 84 lone 2 92 - 3 - HB2 GLU 40 - HD2 ARG 84 lone 2 92 - 3 - HB3 LEU 123 - HD3 ARG 84 lone 1 66 - 2 - HB3 LEU 123 - HD2 ARG 84 lone 1 66 - 2 - HB2 ARG 90 - HD2 ARG 84 lone 1 65 - 2 - HB2 ARG 90 - HD3 ARG 84 lone 1 65 - 2 - Peak 2573 from cnoeabs.peaks (1.64, 3.20, 43.15 ppm; 2.60 A): 4 out of 6 assignments used, quality = 1.00: HG2 ARG 84 + HD3 ARG 84 OK 80 100 - 80 - 3.0=66, 3.0/2549=7...(16) HG3 ARG 84 + HD2 ARG 84 OK 80 100 - 80 - 3.0=66, 3.0/2549=7...(16) HG3 ARG 84 + HD3 ARG 84 OK 80 100 - 80 - 3.0=66, 3.0/2549=7...(16) * HG2 ARG 84 + HD2 ARG 84 OK 80 100 - 80 - 3.0=66, 3.0/2549=7...(16) HG LEU 43 - HD2 ARG 84 lone 2 87 - 2 - HG LEU 43 - HD3 ARG 84 lone 2 87 - 2 - Peak 2574 from cnoeabs.peaks (1.64, 3.20, 43.15 ppm; 2.60 A): 4 out of 6 assignments used, quality = 1.00: HG2 ARG 84 + HD3 ARG 84 OK 80 100 - 80 - 3.0=66, 3.0/2549=7...(16) * HG3 ARG 84 + HD2 ARG 84 OK 80 100 - 80 - 3.0=66, 3.0/2549=7...(16) HG3 ARG 84 + HD3 ARG 84 OK 80 100 - 80 - 3.0=66, 3.0/2549=7...(16) HG2 ARG 84 + HD2 ARG 84 OK 80 100 - 80 - 3.0=66, 3.0/2549=7...(16) HG LEU 43 - HD2 ARG 84 lone 2 87 - 2 - HG LEU 43 - HD3 ARG 84 lone 2 87 - 2 - Peak 2575 from cnoeabs.peaks (3.20, 3.20, 43.15 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 ARG 84 + HD3 ARG 84 OK 100 100 - 100 * HD2 ARG 84 + HD2 ARG 84 OK 100 100 - 100 Peak 2576 from cnoeabs.peaks (3.20, 3.20, 43.15 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 ARG 84 + HD3 ARG 84 OK 100 100 - 100 HD2 ARG 84 + HD2 ARG 84 OK 100 100 - 100 Reference assignment not found: HD3 ARG 84 - HD2 ARG 84 Peak 2577 from cnoeabs.peaks (7.27, 3.20, 43.15 ppm; 3.31 A): 4 out of 6 assignments used, quality = 0.79: * H ASN 85 + HD2 ARG 84 OK 46 100 - 46 - 2550/4.0=9, 2541/4.0=8...(8) H ASN 85 + HD3 ARG 84 OK 46 100 - 46 - 2550/4.0=9, 2541/4.0=8...(8) QE PHE 87 + HD2 ARG 84 OK 17 99 - 17 - 2529/5.0=4, 2550/4.0=4...(6) QE PHE 87 + HD3 ARG 84 OK 17 99 - 17 - 2529/5.0=4, 2550/4.0=4...(6) HD2 HIS 10 - HD3 ARG 84 lone 6 92 - 6 - 2550/4.0=1, 2541/4.0=1 HD2 HIS 10 - HD2 ARG 84 lone 6 92 - 6 - 2550/4.0=1, 2541/4.0=1 Peak 2578 from cnoeabs.peaks (9.00, 3.20, 43.15 ppm; 4.19 A): 2 out of 2 assignments used, quality = 0.99: * H ARG 84 + HD3 ARG 84 OK 93 99 - 94 - 5.7=40, 2542/4.0=28...(16) H ARG 84 + HD2 ARG 84 OK 93 99 - 94 - 5.7=40, 2542/4.0=28...(16) Peak 2579 from cnoeabs.peaks (4.25, 3.20, 43.15 ppm; 3.84 A): 2 out of 8 assignments used, quality = 1.00: * HA ARG 84 + HD3 ARG 84 OK 95 100 - 95 - 5.0=46, 3.0/2549=15...(27) HA ARG 84 + HD2 ARG 84 OK 95 100 - 95 - 5.0=46, 3.0/2549=15...(27) HA GLN 27 - HD2 ARG 84 lone 9 96 - 9 - 2534/4.0=2, 2543/4.0=2...(5) HA GLN 27 - HD3 ARG 84 lone 9 96 - 9 - 2534/4.0=2, 2543/4.0=2...(5) HA SER 124 - HD3 ARG 84 lone 5 81 - 6 - 2534/4.0=1, 2543/4.0=1 HA SER 124 - HD2 ARG 84 lone 5 81 - 6 - 2534/4.0=1, 2543/4.0=1 HA ALA 28 - HD2 ARG 84 lone 1 57 - 2 - HA ALA 28 - HD3 ARG 84 lone 1 57 - 2 - Peak 2580 from cnoeabs.peaks (1.81, 3.20, 43.15 ppm; 3.29 A): 2 out of 16 assignments used, quality = 0.99: * HB2 ARG 84 + HD3 ARG 84 OK 92 100 - 92 - 4.0=56, 1.8/2548=15...(25) HB2 ARG 84 + HD2 ARG 84 OK 92 100 - 92 - 4.0=56, 1.8/2548=15...(25) HB3 ARG 135 - HD2 ARG 84 OK 13 65 - 21 - 2544/4.0=4, 1.8/2572=3...(10) HB3 ARG 135 - HD3 ARG 84 OK 13 65 - 21 - 2544/4.0=4, 1.8/2572=3...(10) HB3 LYS 19 - HD3 ARG 84 lone 4 98 - 4 - HB3 LYS 19 - HD2 ARG 84 lone 4 98 - 4 - HB3 LYS 31 - HD2 ARG 84 lone 3 98 - 3 - HB3 LYS 31 - HD3 ARG 84 lone 3 98 - 3 - HB3 LYS 24 - HD3 ARG 84 lone 2 92 - 2 - HB3 LYS 24 - HD2 ARG 84 lone 2 92 - 2 - HB3 LEU 123 - HD3 ARG 84 lone 1 56 - 2 - HB3 LEU 123 - HD2 ARG 84 lone 1 56 - 2 - HB ILE 32 - HD3 ARG 84 lone 1 65 - 1 - HB ILE 32 - HD2 ARG 84 lone 1 65 - 1 - HB2 LYS 36 - HD3 ARG 84 lone 1 73 - 1 - HB2 LYS 36 - HD2 ARG 84 lone 1 73 - 1 - Peak 2581 from cnoeabs.peaks (1.90, 3.20, 43.15 ppm; 3.27 A): 2 out of 12 assignments used, quality = 0.99: HB3 ARG 84 + HD2 ARG 84 OK 93 100 - 93 - 4.0=55, 2549/1.8=14...(27) * HB3 ARG 84 + HD3 ARG 84 OK 93 100 - 93 - 4.0=55, 2549/1.8=14...(27) HB2 ARG 135 - HD2 ARG 84 OK 21 99 - 22 - 2536/4.0=5, 2524/5.0=4...(10) HB2 ARG 135 - HD3 ARG 84 OK 21 99 - 22 - 2536/4.0=5, 2524/5.0=4...(10) HB2 PRO 113 - HD2 ARG 84 lone 3 87 - 3 - HB2 PRO 113 - HD3 ARG 84 lone 3 87 - 3 - HB2 GLU 40 - HD3 ARG 84 lone 2 92 - 3 - HB2 GLU 40 - HD2 ARG 84 lone 2 92 - 3 - HB3 LEU 123 - HD3 ARG 84 lone 1 66 - 2 - HB3 LEU 123 - HD2 ARG 84 lone 1 66 - 2 - HB2 ARG 90 - HD2 ARG 84 lone 1 65 - 2 - HB2 ARG 90 - HD3 ARG 84 lone 1 65 - 2 - Peak 2582 from cnoeabs.peaks (1.64, 3.20, 43.15 ppm; 2.60 A): 4 out of 6 assignments used, quality = 1.00: * HG2 ARG 84 + HD3 ARG 84 OK 80 100 - 80 - 3.0=66, 3.0/2549=7...(16) HG3 ARG 84 + HD2 ARG 84 OK 80 100 - 80 - 3.0=66, 3.0/2549=7...(16) HG3 ARG 84 + HD3 ARG 84 OK 80 100 - 80 - 3.0=66, 3.0/2549=7...(16) HG2 ARG 84 + HD2 ARG 84 OK 80 100 - 80 - 3.0=66, 3.0/2549=7...(16) HG LEU 43 - HD2 ARG 84 lone 2 87 - 2 - HG LEU 43 - HD3 ARG 84 lone 2 87 - 2 - Peak 2583 from cnoeabs.peaks (1.64, 3.20, 43.15 ppm; 2.60 A): 4 out of 6 assignments used, quality = 1.00: HG2 ARG 84 + HD3 ARG 84 OK 80 100 - 80 - 3.0=66, 3.0/2549=7...(16) HG3 ARG 84 + HD2 ARG 84 OK 80 100 - 80 - 3.0=66, 3.0/2549=7...(16) * HG3 ARG 84 + HD3 ARG 84 OK 80 100 - 80 - 3.0=66, 3.0/2549=7...(16) HG2 ARG 84 + HD2 ARG 84 OK 80 100 - 80 - 3.0=66, 3.0/2549=7...(16) HG LEU 43 - HD2 ARG 84 lone 2 87 - 2 - HG LEU 43 - HD3 ARG 84 lone 2 87 - 2 - Peak 2584 from cnoeabs.peaks (3.20, 3.20, 43.15 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 ARG 84 + HD3 ARG 84 OK 100 100 - 100 HD2 ARG 84 + HD2 ARG 84 OK 100 100 - 100 Reference assignment not found: HD2 ARG 84 - HD3 ARG 84 Peak 2585 from cnoeabs.peaks (3.20, 3.20, 43.15 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 ARG 84 + HD3 ARG 84 OK 100 100 - 100 HD2 ARG 84 + HD2 ARG 84 OK 100 100 - 100 Peak 2586 from cnoeabs.peaks (7.27, 3.20, 43.15 ppm; 3.31 A): 4 out of 6 assignments used, quality = 0.79: H ASN 85 + HD2 ARG 84 OK 46 100 - 46 - 2550/4.0=9, 2541/4.0=8...(8) * H ASN 85 + HD3 ARG 84 OK 46 100 - 46 - 2550/4.0=9, 2541/4.0=8...(8) QE PHE 87 + HD2 ARG 84 OK 17 99 - 17 - 2529/5.0=4, 2550/4.0=4...(6) QE PHE 87 + HD3 ARG 84 OK 17 99 - 17 - 2529/5.0=4, 2550/4.0=4...(6) HD2 HIS 10 - HD3 ARG 84 lone 6 92 - 6 - 2550/4.0=1, 2541/4.0=1 HD2 HIS 10 - HD2 ARG 84 lone 6 92 - 6 - 2550/4.0=1, 2541/4.0=1 Peak 2588 from cnoeabs.peaks (4.81, 4.81, 54.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASN 85 + HA ASN 85 OK 100 100 - 100 Peak 2589 from cnoeabs.peaks (2.69, 4.81, 54.84 ppm; 4.57 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 85 + HA ASN 85 OK 100 100 - 100 - 3.0=100 Peak 2590 from cnoeabs.peaks (2.82, 4.81, 54.84 ppm; 3.80 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ASN 85 + HA ASN 85 OK 100 100 - 100 - 3.0=100 HB3 ASP 71 - HA ASN 85 lone 6 73 - 8 - 2599/3.0=2, 7111/2.9=2...(4) HB2 ASN 13 - HA ASN 85 lone 5 73 - 6 - 2599/3.0=1, 7111/2.9=1 Peak 2595 from cnoeabs.peaks (1.66, 4.81, 54.84 ppm; 6.80 A): 1 out of 15 assignments used, quality = 0.96: * QB ALA 88 + HA ASN 85 OK 96 100 - 96 - 2750=50, 3.0/7174=50...(8) HD2 LYS 86 - HA ASN 85 OK 36 99 - 37 - 7143/3.6=13, 2671/4.9=10...(7) HD3 LYS 86 - HA ASN 85 OK 36 99 - 37 - 7143/3.6=13, 2671/4.9=10...(7) HD3 LYS 31 - HA ASN 85 OK 13 100 - 13 - 2617/4.9=2, 7143/3.6=2...(5) HD2 LYS 31 - HA ASN 85 OK 13 100 - 13 - 2617/4.9=2, 7143/3.6=2...(5) HD3 LYS 24 - HA ASN 85 OK 12 100 - 12 - 2617/4.9=3, 7143/3.6=3...(4) HD2 LYS 24 - HA ASN 85 OK 12 100 - 12 - 2617/4.9=3, 7143/3.6=3...(4) HD2 LYS 26 - HA ASN 85 lone 9 100 - 9 - 2617/4.9=2, 7143/3.6=1...(4) HD3 LYS 26 - HA ASN 85 lone 9 98 - 9 - 2617/4.9=2, 7143/3.6=1...(4) HD3 LYS 95 - HA ASN 85 lone 6 99 - 6 - HD2 LYS 95 - HA ASN 85 lone 5 81 - 6 - HB2 LEU 98 - HA ASN 85 lone 4 65 - 6 - 7160/7153=1 HB2 LEU 69 - HA ASN 85 lone 3 73 - 3 - HD2 LYS 36 - HA ASN 85 lone 2 65 - 3 - HD3 LYS 36 - HA ASN 85 lone 2 65 - 3 - Peak 2596 from cnoeabs.peaks (7.27, 2.69, 37.63 ppm; 4.90 A): 1 out of 3 assignments used, quality = 1.00: * H ASN 85 + HB2 ASN 85 OK 100 100 - 100 - 3.6=100 QE PHE 87 - HB2 ASN 85 OK 13 99 - 13 - 7132/4.4=8, 2603/1.8=5 HD2 HIS 10 - HB2 ASN 85 lone 3 92 - 3 - 2603/1.8=1 Peak 2597 from cnoeabs.peaks (4.81, 2.69, 37.63 ppm; 4.83 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 85 + HB2 ASN 85 OK 100 100 - 100 - 3.0=100 Peak 2598 from cnoeabs.peaks (2.69, 2.69, 37.63 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 85 + HB2 ASN 85 OK 100 100 - 100 Peak 2599 from cnoeabs.peaks (2.82, 2.69, 37.63 ppm; 3.87 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ASN 85 + HB2 ASN 85 OK 100 100 - 100 - 1.8=100 HB3 ASP 71 - HB2 ASN 85 poor 8 73 - 10 - 2590/3.0=2, 7126/3.5=2...(5) HB2 ASN 13 - HB2 ASN 85 lone 6 73 - 7 - 2590/3.0=1, 7126/3.5=1...(4) Peak 2600 from cnoeabs.peaks (7.25, 2.69, 37.63 ppm; 4.58 A): 1 out of 2 assignments used, quality = 1.00: * HD21 ASN 85 + HB2 ASN 85 OK 100 100 - 100 - 3.5=100 HE ARG 84 - HB2 ASN 85 OK 11 87 - 12 - 2607/1.8=8, 7127/3.5=2, ~11861=1 Peak 2601 from cnoeabs.peaks (8.08, 2.69, 37.63 ppm; 4.84 A): 1 out of 5 assignments used, quality = 1.00: * HD22 ASN 85 + HB2 ASN 85 OK 100 100 - 100 - 3.5=100 H LEU 103 - HB2 ASN 85 OK 26 100 - 26 - 7137/4.4=9, 2608/1.8=5...(6) H ASN 120 - HB2 ASN 85 OK 20 92 - 22 - 2608/1.8=8, 7137/4.4=8...(5) H ALA 108 - HB2 ASN 85 OK 10 100 - 10 - 7137/4.4=2, 2608/1.8=2 H ALA 109 - HB2 ASN 85 lone 6 100 - 6 - 7137/4.4=1, 2608/1.8=1 Peak 2603 from cnoeabs.peaks (7.27, 2.82, 37.63 ppm; 4.94 A): 1 out of 3 assignments used, quality = 1.00: * H ASN 85 + HB3 ASN 85 OK 100 100 - 100 - 3.6=100 QE PHE 87 - HB3 ASN 85 OK 15 99 - 15 - 7132/4.4=8, 2596/1.8=5 HD2 HIS 10 - HB3 ASN 85 lone 3 92 - 4 - 2596/1.8=1 Peak 2604 from cnoeabs.peaks (4.81, 2.82, 37.63 ppm; 4.63 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 85 + HB3 ASN 85 OK 100 100 - 100 - 3.0=100 Peak 2605 from cnoeabs.peaks (2.69, 2.82, 37.63 ppm; 3.97 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 85 + HB3 ASN 85 OK 100 100 - 100 - 1.8=100 Peak 2606 from cnoeabs.peaks (2.82, 2.82, 37.63 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 85 + HB3 ASN 85 OK 100 100 - 100 Peak 2607 from cnoeabs.peaks (7.25, 2.82, 37.63 ppm; 4.61 A): 1 out of 2 assignments used, quality = 1.00: * HD21 ASN 85 + HB3 ASN 85 OK 100 100 - 100 - 3.5=100 HE ARG 84 - HB3 ASN 85 OK 26 87 - 30 - 3.6/11278=12...(5) Peak 2608 from cnoeabs.peaks (8.08, 2.82, 37.63 ppm; 3.48 A): 1 out of 5 assignments used, quality = 1.00: * HD22 ASN 85 + HB3 ASN 85 OK 100 100 - 100 - 3.5=100 H ASN 120 - HB3 ASN 85 OK 26 92 - 28 - 3.8/10284=8, 4.6/10291=6...(9) H LEU 103 - HB3 ASN 85 OK 17 100 - 17 - 7137/4.4=5, 2601/1.8=3...(6) H ALA 108 - HB3 ASN 85 lone 7 100 - 7 - 7137/4.4=1, 2601/1.8=1 H ALA 109 - HB3 ASN 85 lone 4 100 - 4 - Peak 2609 from cnoeabs.peaks (8.34, 2.82, 37.63 ppm; 5.99 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 86 + HB3 ASN 85 OK 100 100 - 100 - 4.4=100 H GLU 44 - HB3 ASN 85 lone 4 81 - 5 - 7114/3.6=3 H LYS 19 - HB3 ASN 85 lone 2 65 - 3 - 7114/3.6=1 Peak 2610 from cnoeabs.peaks (8.34, 3.89, 60.84 ppm; 5.08 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 86 + HA LYS 86 OK 100 100 - 100 - 2.9=100 H LYS 19 - HA LYS 86 OK 26 65 - 40 - 4.3/9818=12, 2625/3.0=8...(10) H GLU 44 - HA LYS 86 OK 24 81 - 30 - 2637/3.0=6, 2648/3.7=5...(10) Peak 2611 from cnoeabs.peaks (3.89, 3.89, 60.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 86 + HA LYS 86 OK 100 100 - 100 Peak 2612 from cnoeabs.peaks (1.79, 3.89, 60.84 ppm; 4.39 A): 2 out of 4 assignments used, quality = 1.00: * HB2 LYS 86 + HA LYS 86 OK 100 100 - 100 - 3.0=100 HB3 LEU 122 + HA LYS 86 OK 58 100 - 58 - 3.1/9819=12, 2639/3.0=10...(17) HB3 LEU 103 - HA LYS 86 OK 38 99 - 38 - 7139/2.9=7, 2639/3.0=6...(15) HB3 LEU 123 - HA LYS 86 lone 2 34 - 5 - Peak 2613 from cnoeabs.peaks (1.95, 3.89, 60.84 ppm; 4.62 A): 2 out of 4 assignments used, quality = 1.00: * HB3 LYS 86 + HA LYS 86 OK 100 100 - 100 - 3.0=100 HB3 ARG 90 + HA LYS 86 OK 59 96 - 62 - 2804/4.9=15, 3.8/7205=13...(16) HB2 GLU 30 - HA LYS 86 OK 34 100 - 34 - 2628/3.0=5, 2651/3.7=5...(13) HB2 PRO 58 - HA LYS 86 OK 24 87 - 28 - 2628/3.0=3, 2651/3.7=3...(15) Peak 2614 from cnoeabs.peaks (1.42, 3.89, 60.84 ppm; 4.89 A): 2 out of 3 assignments used, quality = 1.00: * HG2 LYS 86 + HA LYS 86 OK 100 100 - 100 - 3.7=100 QB ALA 34 + HA LYS 86 OK 51 99 - 51 - 10877/3.0=14...(11) QB ALA 92 - HA LYS 86 OK 16 65 - 25 - 9948/3.0=4, 9866/2621=4...(9) Peak 2615 from cnoeabs.peaks (1.47, 3.89, 60.84 ppm; 4.91 A): 1 out of 3 assignments used, quality = 1.00: * HG3 LYS 86 + HA LYS 86 OK 100 100 - 100 - 3.7=100 QB ALA 52 - HA LYS 86 OK 26 92 - 28 - 2642/3.0=6, 7142/2.9=6...(9) HG3 LYS 36 - HA LYS 86 OK 23 73 - 31 - 2642/3.0=7, 2630/3.0=6...(10) Peak 2616 from cnoeabs.peaks (1.66, 3.89, 60.84 ppm; 4.89 A): 3 out of 13 assignments used, quality = 1.00: * HD2 LYS 86 + HA LYS 86 OK 98 100 - 98 - 5.5=71, ~2629=18...(28) HD3 LYS 86 + HA LYS 86 OK 98 100 - 98 - 5.5=71, ~2629=18...(28) QB ALA 88 + HA LYS 86 OK 84 99 - 84 - 2750/4.9=30, 3.7/2621=25...(13) HD3 LYS 24 - HA LYS 86 OK 41 100 - 42 - 2644/3.0=4, 2632/3.0=4...(21) HD2 LYS 24 - HA LYS 86 OK 41 99 - 42 - 2643/3.0=4, 2632/3.0=4...(21) HD3 LYS 31 - HA LYS 86 OK 28 100 - 28 - 3.5/11778=3, 2644/3.0=3...(15) HD2 LYS 31 - HA LYS 86 OK 28 99 - 28 - 3.5/11778=3, 2643/3.0=3...(14) HD3 LYS 26 - HA LYS 86 OK 18 100 - 17 - 2644/3.0=2, 2632/3.0=1...(9) HD2 LYS 26 - HA LYS 86 OK 17 100 - 17 - 2644/3.0=2, 2632/3.0=1...(9) HD3 LYS 95 - HA LYS 86 lone 7 100 - 7 - HD2 LYS 95 - HA LYS 86 lone 6 92 - 7 - HB2 LEU 98 - HA LYS 86 lone 5 81 - 6 - 7160/3.6=2 HB2 LEU 123 - HA LYS 86 lone 4 65 - 5 - Peak 2617 from cnoeabs.peaks (1.66, 3.89, 60.84 ppm; 4.89 A): 3 out of 13 assignments used, quality = 1.00: HD2 LYS 86 + HA LYS 86 OK 98 100 - 98 - 5.5=71, ~2629=18...(28) * HD3 LYS 86 + HA LYS 86 OK 98 100 - 98 - 5.5=71, ~2629=18...(28) QB ALA 88 + HA LYS 86 OK 84 99 - 84 - 2750/4.9=30, 3.7/2621=25...(13) HD3 LYS 24 - HA LYS 86 OK 41 100 - 42 - 2644/3.0=4, 2632/3.0=4...(21) HD2 LYS 24 - HA LYS 86 OK 41 99 - 42 - 2643/3.0=4, 2632/3.0=4...(21) HD3 LYS 31 - HA LYS 86 OK 28 100 - 28 - 3.5/11778=3, 2644/3.0=3...(15) HD2 LYS 31 - HA LYS 86 OK 28 99 - 28 - 3.5/11778=3, 2643/3.0=3...(14) HD3 LYS 26 - HA LYS 86 OK 18 100 - 17 - 2644/3.0=2, 2632/3.0=1...(9) HD2 LYS 26 - HA LYS 86 OK 17 100 - 17 - 2644/3.0=2, 2632/3.0=1...(9) HD3 LYS 95 - HA LYS 86 lone 7 100 - 7 - HD2 LYS 95 - HA LYS 86 lone 6 92 - 7 - HB2 LEU 98 - HA LYS 86 lone 5 81 - 6 - 7160/3.6=2 HB2 LEU 123 - HA LYS 86 lone 4 65 - 5 - Peak 2620 from cnoeabs.peaks (8.12, 3.89, 60.84 ppm; 5.85 A): 1 out of 3 assignments used, quality = 1.00: * H PHE 87 + HA LYS 86 OK 100 100 - 100 - 3.6=100 H ASN 121 - HA LYS 86 OK 39 92 - 42 - 2635/3.0=9, 7147/2.9=9...(8) H GLU 91 - HA LYS 86 OK 35 65 - 54 - 4.0/7205=19, 4.4/2613=10...(9) Peak 2621 from cnoeabs.peaks (8.69, 3.89, 60.84 ppm; 4.96 A): 2 out of 3 assignments used, quality = 0.89: * H PHE 89 + HA LYS 86 OK 88 100 - 88 - 7189/4.9=29, 7190=27...(12) H LYS 39 + HA LYS 86 OK 12 100 - 12 - 7171/3.6=4, 2775/2623=3...(4) H HIS 7 - HA LYS 86 lone 2 73 - 2 - Peak 2622 from cnoeabs.peaks (3.31, 3.89, 60.84 ppm; 4.92 A): 2 out of 2 assignments used, quality = 0.79: * HB2 PHE 89 + HA LYS 86 OK 72 100 - 72 - 1.8/2623=34, 3.5/2621=26...(7) HB3 CYS 73 + HA LYS 86 OK 25 81 - 31 - ~9536=17, 3.8/6989=5...(8) Peak 2623 from cnoeabs.peaks (3.33, 3.89, 60.84 ppm; 4.92 A): 2 out of 3 assignments used, quality = 0.76: * HB3 PHE 89 + HA LYS 86 OK 73 100 - 73 - 1.8/2622=30, 3.5/2621=26...(8) HB3 TYR 72 + HA LYS 86 OK 11 81 - 13 - 4.4/6989=4, ~9504=3...(4) HB2 HIS 67 - HA LYS 86 lone 2 65 - 3 - Peak 2624 from cnoeabs.peaks (3.75, 1.79, 32.72 ppm; 5.47 A): 1 out of 1 assignment used, quality = 0.94: * HA THR 83 + HB2 LYS 86 OK 94 100 - 94 - 2636/1.8=48, 7129/4.0=34...(8) Peak 2625 from cnoeabs.peaks (8.34, 1.79, 32.72 ppm; 3.17 A): 2 out of 3 assignments used, quality = 0.82: * H LYS 86 + HB2 LYS 86 OK 78 100 - 78 - 4.0=51, 7140/1.8=16...(11) H LYS 19 + HB2 LYS 86 OK 17 65 - 27 - 4.3/9824=10, 4.6/10689=8...(7) H GLU 44 - HB2 LYS 86 poor 10 81 - 12 - 2637/1.8=3, 2648/3.0=2...(5) Peak 2626 from cnoeabs.peaks (3.89, 1.79, 32.72 ppm; 4.53 A): 1 out of 7 assignments used, quality = 1.00: * HA LYS 86 + HB2 LYS 86 OK 100 100 - 100 - 3.0=100 HA LEU 70 - HB2 LYS 86 OK 20 87 - 23 - 2638/1.8=5, 7138/4.0=3...(12) HA2 GLY 2 - HB2 LYS 86 OK 20 87 - 23 - 2638/1.8=4, 2649/3.0=3...(11) HA3 GLY 2 - HB2 LYS 86 OK 20 87 - 23 - 2638/1.8=4, 2649/3.0=3...(11) HA2 GLY 114 - HB2 LYS 86 OK 18 92 - 19 - 2638/1.8=3, 2649/3.0=2...(11) HB3 SER 50 - HB2 LYS 86 OK 17 100 - 17 - 2638/1.8=3, 2649/3.0=2...(9) HA ALA 46 - HB2 LYS 86 lone 5 73 - 7 - 2638/1.8=1 Peak 2627 from cnoeabs.peaks (1.79, 1.79, 32.72 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 86 + HB2 LYS 86 OK 100 100 - 100 Peak 2628 from cnoeabs.peaks (1.95, 1.79, 32.72 ppm; 3.14 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LYS 86 + HB2 LYS 86 OK 100 100 - 100 - 1.8=100 HB3 ARG 90 - HB2 LYS 86 OK 29 96 - 31 - 2613/3.0=4, 7157/4.6=4...(14) HB2 GLU 30 - HB2 LYS 86 OK 19 100 - 19 - 2651/3.0=2, 2662/3.0=2...(12) HB2 PRO 58 - HB2 LYS 86 OK 12 87 - 13 - 2651/3.0=2, 2613/3.0=2...(5) Peak 2629 from cnoeabs.peaks (1.42, 1.79, 32.72 ppm; 2.87 A): 1 out of 3 assignments used, quality = 0.95: * HG2 LYS 86 + HB2 LYS 86 OK 95 100 - 95 - 3.0=91, 4.5/2625=9...(13) QB ALA 34 - HB2 LYS 86 OK 24 99 - 25 - 2641/1.8=6, 2663/3.0=4...(10) QB ALA 92 - HB2 LYS 86 lone 5 65 - 7 - 9948/1.8=2 Peak 2630 from cnoeabs.peaks (1.47, 1.79, 32.72 ppm; 3.11 A): 1 out of 3 assignments used, quality = 1.00: * HG3 LYS 86 + HB2 LYS 86 OK 100 100 - 100 - 3.0=100 HG3 LYS 36 - HB2 LYS 86 OK 15 73 - 21 - 2642/1.8=3, 2653/3.0=3...(11) QB ALA 52 - HB2 LYS 86 OK 13 92 - 14 - 2642/1.8=3, 2653/3.0=2...(8) Peak 2631 from cnoeabs.peaks (1.66, 1.79, 32.72 ppm; 2.87 A): 2 out of 13 assignments used, quality = 0.97: * HD2 LYS 86 + HB2 LYS 86 OK 81 100 - 81 - 3.5=53, 3.0/2629=17...(23) HD3 LYS 86 + HB2 LYS 86 OK 81 100 - 81 - 3.5=53, 3.0/2629=17...(23) HD3 LYS 24 - HB2 LYS 86 OK 22 100 - 22 - 3.0/2705=2, 2644/1.8=2...(8) HD2 LYS 24 - HB2 LYS 86 OK 22 99 - 22 - 3.0/2705=2, 2644/1.8=2...(8) HD3 LYS 31 - HB2 LYS 86 OK 13 100 - 13 - 2644/1.8=1, 2666/3.0=1 HD2 LYS 31 - HB2 LYS 86 OK 13 99 - 13 - 2644/1.8=1, 2666/3.0=1 QB ALA 88 - HB2 LYS 86 OK 13 99 - 13 - 9851/4.6=5, 7143/4.0=2...(4) HD3 LYS 26 - HB2 LYS 86 lone 8 100 - 7 - HD2 LYS 26 - HB2 LYS 86 lone 8 100 - 7 - HD3 LYS 95 - HB2 LYS 86 lone 3 100 - 2 - HB2 LEU 123 - HB2 LYS 86 lone 3 65 - 4 - HD2 LYS 95 - HB2 LYS 86 lone 2 92 - 3 - HB2 LEU 98 - HB2 LYS 86 lone 2 81 - 2 - Peak 2632 from cnoeabs.peaks (1.66, 1.79, 32.72 ppm; 2.87 A): 2 out of 13 assignments used, quality = 0.97: HD2 LYS 86 + HB2 LYS 86 OK 81 100 - 81 - 3.5=53, 3.0/2629=17...(23) * HD3 LYS 86 + HB2 LYS 86 OK 81 100 - 81 - 3.5=53, 3.0/2629=17...(23) HD3 LYS 24 - HB2 LYS 86 OK 22 100 - 22 - 3.0/2705=2, 2644/1.8=2...(8) HD2 LYS 24 - HB2 LYS 86 OK 22 99 - 22 - 3.0/2705=2, 2644/1.8=2...(8) HD3 LYS 31 - HB2 LYS 86 OK 13 100 - 13 - 2644/1.8=1, 2666/3.0=1 HD2 LYS 31 - HB2 LYS 86 OK 13 99 - 13 - 2644/1.8=1, 2666/3.0=1 QB ALA 88 - HB2 LYS 86 OK 13 99 - 13 - 9851/4.6=5, 7143/4.0=2...(4) HD3 LYS 26 - HB2 LYS 86 lone 8 100 - 7 - HD2 LYS 26 - HB2 LYS 86 lone 8 100 - 7 - HD3 LYS 95 - HB2 LYS 86 lone 3 100 - 2 - HB2 LEU 123 - HB2 LYS 86 lone 3 65 - 4 - HD2 LYS 95 - HB2 LYS 86 lone 2 92 - 3 - HB2 LEU 98 - HB2 LYS 86 lone 2 81 - 2 - Peak 2634 from cnoeabs.peaks (2.96, 1.79, 32.72 ppm; 4.19 A): 3 out of 11 assignments used, quality = 0.98: * HE3 LYS 86 + HB2 LYS 86 OK 92 100 - 92 - 4.9=64, 3.7/2629=27...(15) HE3 LYS 24 + HB2 LYS 86 OK 49 99 - 50 - 2705=6, 2707/3.0=5...(27) HE2 LYS 24 + HB2 LYS 86 OK 47 96 - 50 - 1.8/2705=6, 2705=4...(26) HE3 LYS 36 - HB2 LYS 86 OK 43 99 - 43 - 2707/3.0=5, 2705=5...(17) HE2 LYS 36 - HB2 LYS 86 OK 43 99 - 43 - 2705=5, 2707/3.0=5...(17) HE2 LYS 19 - HB2 LYS 86 OK 21 100 - 21 - 2705=2, 2707/3.0=2...(9) HE2 LYS 31 - HB2 LYS 86 OK 21 92 - 22 - 3.0/2632=2, 3.0/2631=2...(8) HE3 LYS 19 - HB2 LYS 86 OK 19 92 - 20 - 1.8/2705=2, 2657/3.0=2...(10) HE3 LYS 31 - HB2 LYS 86 OK 17 73 - 23 - 3.0/2632=2, 3.0/2632=2...(11) HE2 LYS 26 - HB2 LYS 86 poor 9 73 - 12 - 3.0/2631=1, 3.0/2632=1 HE3 LYS 26 - HB2 LYS 86 poor 9 73 - 12 - 3.0/2631=1, 3.0/2632=1 Peak 2635 from cnoeabs.peaks (8.12, 1.79, 32.72 ppm; 3.82 A): 3 out of 3 assignments used, quality = 0.89: * H PHE 87 + HB2 LYS 86 OK 84 100 - 84 - 4.6=58, 7157/1.8=21...(10) H ASN 121 + HB2 LYS 86 OK 22 92 - 23 - 2647/1.8=5, 7147/4.0=4...(6) H GLU 91 + HB2 LYS 86 OK 12 65 - 18 - 4.4/2628=4, 2647/1.8=4...(6) Peak 2636 from cnoeabs.peaks (3.75, 1.95, 32.72 ppm; 4.61 A): 1 out of 1 assignment used, quality = 0.85: * HA THR 83 + HB3 LYS 86 OK 85 100 - 85 - 2512=33, 2624/1.8=29...(8) Peak 2637 from cnoeabs.peaks (8.34, 1.95, 32.72 ppm; 4.22 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 86 + HB3 LYS 86 OK 100 100 - 100 - 4.0=100 H GLU 44 - HB3 LYS 86 OK 19 81 - 23 - 2625/1.8=5, 2648/3.0=4...(9) H LYS 19 - HB3 LYS 86 OK 16 65 - 25 - 2625/1.8=8, 2659/3.0=5...(7) Peak 2638 from cnoeabs.peaks (3.89, 1.95, 32.72 ppm; 4.18 A): 1 out of 7 assignments used, quality = 1.00: * HA LYS 86 + HB3 LYS 86 OK 100 100 - 100 - 3.0=100 HA LEU 70 - HB3 LYS 86 OK 20 87 - 23 - 2626/1.8=3, 3.8/11282=3...(12) HA2 GLY 2 - HB3 LYS 86 OK 17 87 - 20 - 2626/1.8=3, 2649/3.0=3...(10) HA3 GLY 2 - HB3 LYS 86 OK 17 87 - 20 - 2626/1.8=3, 2649/3.0=3...(10) HA2 GLY 114 - HB3 LYS 86 OK 15 92 - 17 - 2626/1.8=3, 2649/3.0=2...(7) HB3 SER 50 - HB3 LYS 86 OK 15 100 - 15 - 2626/1.8=3, 2649/3.0=2...(7) HA ALA 46 - HB3 LYS 86 lone 4 73 - 6 - Peak 2639 from cnoeabs.peaks (1.79, 1.95, 32.72 ppm; 3.13 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LYS 86 + HB3 LYS 86 OK 100 100 - 100 - 1.8=100 HB3 LEU 122 - HB3 LYS 86 OK 38 100 - 38 - 2650/3.0=5, 2661/3.0=5...(16) HB3 LEU 103 - HB3 LYS 86 OK 23 99 - 23 - 2650/3.0=4, 2661/3.0=4...(13) HB3 LEU 123 - HB3 LYS 86 lone 1 34 - 4 - Peak 2640 from cnoeabs.peaks (1.95, 1.95, 32.72 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 86 + HB3 LYS 86 OK 100 100 - 100 Peak 2641 from cnoeabs.peaks (1.42, 1.95, 32.72 ppm; 3.90 A): 2 out of 3 assignments used, quality = 1.00: * HG2 LYS 86 + HB3 LYS 86 OK 100 100 - 100 - 3.0=100 QB ALA 34 + HB3 LYS 86 OK 51 99 - 51 - 10877=13, 2629/1.8=9...(13) QB ALA 92 - HB3 LYS 86 OK 12 65 - 19 - 9948=3, 2614/3.0=2...(8) Peak 2642 from cnoeabs.peaks (1.47, 1.95, 32.72 ppm; 4.25 A): 1 out of 3 assignments used, quality = 1.00: * HG3 LYS 86 + HB3 LYS 86 OK 100 100 - 100 - 3.0=100 HG3 LYS 36 - HB3 LYS 86 OK 26 73 - 35 - 2630/1.8=6, 2653/3.0=4...(13) QB ALA 52 - HB3 LYS 86 OK 24 92 - 25 - 2630/1.8=5, 2615/3.0=4...(9) Peak 2643 from cnoeabs.peaks (1.66, 1.95, 32.72 ppm; 3.61 A): 2 out of 13 assignments used, quality = 1.00: * HD2 LYS 86 + HB3 LYS 86 OK 100 100 - 100 - 3.5=100 HD3 LYS 86 + HB3 LYS 86 OK 100 100 - 100 - 3.5=100 HD3 LYS 24 - HB3 LYS 86 OK 34 100 - 35 - 2631/1.8=4, 3.0/2706=3...(20) HD2 LYS 24 - HB3 LYS 86 OK 34 99 - 35 - 2632/1.8=4, 3.0/2706=3...(20) HD3 LYS 31 - HB3 LYS 86 OK 22 100 - 21 - 2632/1.8=2, 2666/3.0=2...(6) HD2 LYS 31 - HB3 LYS 86 OK 22 99 - 21 - 2631/1.8=2, 2666/3.0=2...(6) QB ALA 88 - HB3 LYS 86 OK 20 99 - 20 - 9851/4.6=9, 7144/4.0=4...(6) HD3 LYS 26 - HB3 LYS 86 OK 14 100 - 13 - 5.7/10744=2, 2632/1.8=1 HD2 LYS 26 - HB3 LYS 86 OK 14 100 - 13 - 5.7/10744=2, 2632/1.8=1 HD3 LYS 95 - HB3 LYS 86 lone 4 100 - 4 - HD2 LYS 95 - HB3 LYS 86 lone 4 92 - 4 - HB2 LEU 123 - HB3 LYS 86 lone 4 65 - 6 - 3.9/6318=1, 9755/2636=1 HB2 LEU 98 - HB3 LYS 86 lone 2 81 - 3 - Peak 2644 from cnoeabs.peaks (1.66, 1.95, 32.72 ppm; 3.61 A): 2 out of 13 assignments used, quality = 1.00: HD2 LYS 86 + HB3 LYS 86 OK 100 100 - 100 - 3.5=100 * HD3 LYS 86 + HB3 LYS 86 OK 100 100 - 100 - 3.5=100 HD3 LYS 24 - HB3 LYS 86 OK 34 100 - 35 - 2631/1.8=4, 3.0/2706=3...(20) HD2 LYS 24 - HB3 LYS 86 OK 34 99 - 35 - 2632/1.8=4, 3.0/2706=3...(20) HD3 LYS 31 - HB3 LYS 86 OK 22 100 - 21 - 2632/1.8=2, 2666/3.0=2...(6) HD2 LYS 31 - HB3 LYS 86 OK 22 99 - 21 - 2631/1.8=2, 2666/3.0=2...(6) QB ALA 88 - HB3 LYS 86 OK 20 99 - 20 - 9851/4.6=9, 7144/4.0=4...(6) HD3 LYS 26 - HB3 LYS 86 OK 14 100 - 13 - 5.7/10744=2, 2632/1.8=1 HD2 LYS 26 - HB3 LYS 86 OK 14 100 - 13 - 5.7/10744=2, 2632/1.8=1 HD3 LYS 95 - HB3 LYS 86 lone 4 100 - 4 - HD2 LYS 95 - HB3 LYS 86 lone 4 92 - 4 - HB2 LEU 123 - HB3 LYS 86 lone 4 65 - 6 - 3.9/6318=1, 9755/2636=1 HB2 LEU 98 - HB3 LYS 86 lone 2 81 - 3 - Peak 2645 from cnoeabs.peaks (3.07, 1.95, 32.72 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: * HE2 LYS 86 + HB3 LYS 86 OK 100 100 - 100 - 4.9=100 HB3 HIS 5 - HB3 LYS 86 OK 22 99 - 22 - 2667/3.0=7, 2656/3.0=7...(5) Peak 2646 from cnoeabs.peaks (2.96, 1.95, 32.72 ppm; 6.16 A): 5 out of 11 assignments used, quality = 1.00: * HE3 LYS 86 + HB3 LYS 86 OK 100 100 - 100 - 4.9=100 HE3 LYS 24 + HB3 LYS 86 OK 67 99 - 68 - 2634/1.8=7, 2657/3.0=6...(28) HE2 LYS 24 + HB3 LYS 86 OK 66 96 - 69 - 2634/1.8=6, ~2634=6...(29) HE2 LYS 36 + HB3 LYS 86 OK 60 99 - 61 - 4.0/2642=8, 2634/1.8=6...(22) HE3 LYS 36 + HB3 LYS 86 OK 60 99 - 61 - 4.0/2642=8, 2657/3.0=6...(22) HE2 LYS 31 - HB3 LYS 86 OK 36 92 - 38 - 3.0/2643=3, 3.0/2644=3...(22) HE2 LYS 19 - HB3 LYS 86 OK 32 100 - 32 - 7.3/2637=3, 2634/1.8=3...(16) HE3 LYS 19 - HB3 LYS 86 OK 31 92 - 33 - 7.3/2637=3, ~2634=3...(17) HE3 LYS 31 - HB3 LYS 86 OK 30 73 - 40 - 3.0/2643=3, 3.0/2644=3...(21) HE2 LYS 26 - HB3 LYS 86 OK 19 73 - 25 - 7.1/10744=5, 3.0/2643=2...(15) HE3 LYS 26 - HB3 LYS 86 OK 19 73 - 25 - 7.1/10744=5, 3.0/2643=2...(15) Peak 2647 from cnoeabs.peaks (8.12, 1.95, 32.72 ppm; 4.50 A): 1 out of 3 assignments used, quality = 0.99: * H PHE 87 + HB3 LYS 86 OK 99 100 - 99 - 4.6=95, 2635/1.8=33...(10) H ASN 121 - HB3 LYS 86 OK 27 92 - 29 - 2635/1.8=9, 7147/4.0=5...(5) H GLU 91 - HB3 LYS 86 OK 22 65 - 34 - 3.6/2786=5, 4.0/7218=5...(10) Peak 2648 from cnoeabs.peaks (8.34, 1.42, 25.00 ppm; 4.49 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 86 + HG2 LYS 86 OK 100 100 - 100 - 4.5=100 H GLU 44 - HG2 LYS 86 OK 19 81 - 24 - 2659/1.8=5, 2637/3.0=5...(8) H LYS 19 - HG2 LYS 86 OK 17 65 - 26 - 2625/3.0=7, 2659/1.8=7...(7) Peak 2649 from cnoeabs.peaks (3.89, 1.42, 25.00 ppm; 5.25 A): 1 out of 7 assignments used, quality = 1.00: * HA LYS 86 + HG2 LYS 86 OK 100 100 - 100 - 3.7=100 HA3 GLY 2 - HG2 LYS 86 OK 27 87 - 31 - 2660/1.8=5, 2626/3.0=4...(12) HA2 GLY 2 - HG2 LYS 86 OK 27 87 - 31 - 2660/1.8=5, 2626/3.0=4...(12) HA LEU 70 - HG2 LYS 86 OK 23 87 - 27 - 2638/3.0=5, 2626/3.0=4...(9) HB3 SER 50 - HG2 LYS 86 OK 20 100 - 20 - 2660/1.8=4, 2626/3.0=3...(7) HA2 GLY 114 - HG2 LYS 86 OK 20 92 - 21 - 2626/3.0=4, 2638/3.0=3...(8) HA ALA 46 - HG2 LYS 86 lone 6 73 - 8 - 2626/3.0=1, 2660/1.8=1 Peak 2650 from cnoeabs.peaks (1.79, 1.42, 25.00 ppm; 3.30 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LYS 86 + HG2 LYS 86 OK 100 100 - 100 - 3.0=100 HB3 LEU 122 - HG2 LYS 86 OK 36 100 - 36 - 2661/1.8=8, 2639/3.0=6...(14) HB3 LEU 103 - HG2 LYS 86 OK 24 99 - 24 - 2661/1.8=5, 2639/3.0=4...(9) HB3 LEU 123 - HG2 LYS 86 lone 1 34 - 3 - Peak 2651 from cnoeabs.peaks (1.95, 1.42, 25.00 ppm; 4.54 A): 2 out of 4 assignments used, quality = 1.00: * HB3 LYS 86 + HG2 LYS 86 OK 100 100 - 100 - 3.0=100 HB3 ARG 90 + HG2 LYS 86 OK 51 96 - 54 - 2662/1.8=10, 3.0/9897=10...(16) HB2 GLU 30 - HG2 LYS 86 OK 34 100 - 34 - 2662/1.8=6, 2628/3.0=5...(12) HB2 PRO 58 - HG2 LYS 86 OK 22 87 - 25 - 2662/1.8=4, 2628/3.0=3...(13) Peak 2652 from cnoeabs.peaks (1.42, 1.42, 25.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 86 + HG2 LYS 86 OK 100 100 - 100 Peak 2653 from cnoeabs.peaks (1.47, 1.42, 25.00 ppm; 2.50 A): 1 out of 3 assignments used, quality = 1.00: * HG3 LYS 86 + HG2 LYS 86 OK 100 100 - 100 - 1.8=100 HG3 LYS 36 - HG2 LYS 86 OK 11 73 - 14 - 2630/3.0=2, 2642/3.0=2...(7) QB ALA 52 - HG2 LYS 86 lone 8 92 - 9 - 2630/3.0=2, 2642/3.0=2 Peak 2654 from cnoeabs.peaks (1.66, 1.42, 25.00 ppm; 3.10 A): 2 out of 13 assignments used, quality = 1.00: * HD2 LYS 86 + HG2 LYS 86 OK 100 100 - 100 - 3.0=100 HD3 LYS 86 + HG2 LYS 86 OK 100 100 - 100 - 3.0=100 HD3 LYS 24 - HG2 LYS 86 OK 28 100 - 28 - 3.0/2707=3, 2666/1.8=3...(13) HD2 LYS 24 - HG2 LYS 86 OK 28 99 - 28 - 3.0/2707=3, 2665/1.8=3...(13) HD3 LYS 31 - HG2 LYS 86 OK 16 100 - 16 - 2666/1.8=2, 2632/3.0=1...(6) HD2 LYS 31 - HG2 LYS 86 OK 16 99 - 16 - 2666/1.8=2, 2631/3.0=1...(6) QB ALA 88 - HG2 LYS 86 OK 14 99 - 14 - 3.7/9866=3, 7144/4.5=2...(7) HD3 LYS 26 - HG2 LYS 86 lone 9 100 - 9 - 2666/1.8=1 HD2 LYS 26 - HG2 LYS 86 lone 9 100 - 9 - 2665/1.8=1 HD3 LYS 95 - HG2 LYS 86 lone 3 100 - 3 - HD2 LYS 95 - HG2 LYS 86 lone 3 92 - 3 - HB2 LEU 123 - HG2 LYS 86 lone 2 65 - 2 - HB2 LEU 98 - HG2 LYS 86 lone 1 81 - 2 - Peak 2655 from cnoeabs.peaks (1.66, 1.42, 25.00 ppm; 3.10 A): 2 out of 13 assignments used, quality = 1.00: HD2 LYS 86 + HG2 LYS 86 OK 100 100 - 100 - 3.0=100 * HD3 LYS 86 + HG2 LYS 86 OK 100 100 - 100 - 3.0=100 HD3 LYS 24 - HG2 LYS 86 OK 28 100 - 28 - 3.0/2707=3, 2666/1.8=3...(13) HD2 LYS 24 - HG2 LYS 86 OK 28 99 - 28 - 3.0/2707=3, 2665/1.8=3...(13) HD3 LYS 31 - HG2 LYS 86 OK 16 100 - 16 - 2666/1.8=2, 2632/3.0=1...(6) HD2 LYS 31 - HG2 LYS 86 OK 16 99 - 16 - 2666/1.8=2, 2631/3.0=1...(6) QB ALA 88 - HG2 LYS 86 OK 14 99 - 14 - 3.7/9866=3, 7144/4.5=2...(7) HD3 LYS 26 - HG2 LYS 86 lone 9 100 - 9 - 2666/1.8=1 HD2 LYS 26 - HG2 LYS 86 lone 9 100 - 9 - 2665/1.8=1 HD3 LYS 95 - HG2 LYS 86 lone 3 100 - 3 - HD2 LYS 95 - HG2 LYS 86 lone 3 92 - 3 - HB2 LEU 123 - HG2 LYS 86 lone 2 65 - 2 - HB2 LEU 98 - HG2 LYS 86 lone 1 81 - 2 - Peak 2656 from cnoeabs.peaks (3.07, 1.42, 25.00 ppm; 5.58 A): 1 out of 2 assignments used, quality = 1.00: * HE2 LYS 86 + HG2 LYS 86 OK 100 100 - 100 - 3.7=100 HB3 HIS 5 - HG2 LYS 86 OK 18 99 - 18 - 2667/1.8=6, 2645/3.0=5...(5) Peak 2657 from cnoeabs.peaks (2.96, 1.42, 25.00 ppm; 3.72 A): 1 out of 11 assignments used, quality = 0.99: * HE3 LYS 86 + HG2 LYS 86 OK 99 100 - 99 - 3.7=99 HE3 LYS 24 - HG2 LYS 86 OK 45 99 - 46 - 2707=6, 2668/1.8=5...(22) HE2 LYS 24 - HG2 LYS 86 OK 43 96 - 46 - 1.8/2707=6, 2707=5...(22) HE3 LYS 36 - HG2 LYS 86 OK 41 99 - 42 - 2707=6, 1.8/2707=5...(19) HE2 LYS 36 - HG2 LYS 86 OK 41 99 - 41 - 2707=6, 1.8/2707=5...(19) HE2 LYS 19 - HG2 LYS 86 OK 20 100 - 19 - 2707=3, 2668/1.8=2...(7) HE2 LYS 31 - HG2 LYS 86 OK 18 92 - 19 - 2668/1.8=2, 3.0/2655=2...(6) HE3 LYS 19 - HG2 LYS 86 OK 18 92 - 19 - 1.8/2707=3, 2668/1.8=2...(6) HE3 LYS 31 - HG2 LYS 86 OK 15 73 - 20 - 3.0/2655=2, 3.0/2654=2...(6) HE2 LYS 26 - HG2 LYS 86 lone 7 73 - 10 - HE3 LYS 26 - HG2 LYS 86 lone 7 73 - 10 - Peak 2658 from cnoeabs.peaks (8.12, 1.42, 25.00 ppm; 5.40 A): 3 out of 3 assignments used, quality = 0.95: * H PHE 87 + HG2 LYS 86 OK 89 100 - 89 - 2635/3.0=33, 7154/4.5=31...(10) H ASN 121 + HG2 LYS 86 OK 32 92 - 34 - 2635/3.0=9, 2669/1.8=8...(5) H GLU 91 + HG2 LYS 86 OK 28 65 - 42 - 3.6/9897=12, 4.4/2651=8...(9) Peak 2659 from cnoeabs.peaks (8.34, 1.47, 25.00 ppm; 4.35 A): 1 out of 3 assignments used, quality = 0.98: * H LYS 86 + HG3 LYS 86 OK 98 100 - 98 - 4.5=93, 2625/3.0=31...(12) H LYS 19 - HG3 LYS 86 OK 24 65 - 36 - 4.3/11286=17, 2625/3.0=7...(7) H GLU 44 - HG3 LYS 86 OK 17 81 - 21 - 2648/1.8=5, 2637/3.0=5...(7) Peak 2660 from cnoeabs.peaks (3.89, 1.47, 25.00 ppm; 5.37 A): 1 out of 7 assignments used, quality = 1.00: * HA LYS 86 + HG3 LYS 86 OK 100 100 - 100 - 3.7=100 HA3 GLY 2 - HG3 LYS 86 OK 28 87 - 32 - 2649/1.8=5, 2626/3.0=4...(13) HA2 GLY 2 - HG3 LYS 86 OK 28 87 - 32 - 2649/1.8=5, 2626/3.0=4...(13) HA LEU 70 - HG3 LYS 86 OK 21 87 - 24 - 2638/3.0=5, 2649/1.8=4...(7) HB3 SER 50 - HG3 LYS 86 OK 20 100 - 20 - 2649/1.8=4, 2626/3.0=4...(7) HA2 GLY 114 - HG3 LYS 86 OK 19 92 - 20 - 2649/1.8=4, 2626/3.0=4...(7) HA ALA 46 - HG3 LYS 86 lone 6 73 - 8 - 2649/1.8=1, 2626/3.0=1 Peak 2661 from cnoeabs.peaks (1.79, 1.47, 25.00 ppm; 3.45 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LYS 86 + HG3 LYS 86 OK 100 100 - 100 - 3.0=100 HB3 LEU 122 - HG3 LYS 86 OK 39 100 - 39 - 2650/1.8=8, 2639/3.0=7...(15) HB3 LEU 103 - HG3 LYS 86 OK 26 99 - 26 - 2650/1.8=6, 2639/3.0=4...(10) HB3 LEU 123 - HG3 LYS 86 lone 1 34 - 3 - Peak 2662 from cnoeabs.peaks (1.95, 1.47, 25.00 ppm; 4.56 A): 2 out of 4 assignments used, quality = 1.00: * HB3 LYS 86 + HG3 LYS 86 OK 100 100 - 100 - 3.0=100 HB3 ARG 90 + HG3 LYS 86 OK 52 96 - 54 - ~9897=12, 2651/1.8=10...(15) HB2 GLU 30 - HG3 LYS 86 OK 34 100 - 34 - 2651/1.8=7, 2628/3.0=5...(12) HB2 PRO 58 - HG3 LYS 86 OK 22 87 - 24 - 2651/1.8=4, 2628/3.0=3...(14) Peak 2663 from cnoeabs.peaks (1.42, 1.47, 25.00 ppm; 2.50 A): 1 out of 3 assignments used, quality = 1.00: * HG2 LYS 86 + HG3 LYS 86 OK 100 100 - 100 - 1.8=100 QB ALA 34 - HG3 LYS 86 OK 18 99 - 18 - 10877/3.0=3, 2629/3.0=3...(9) QB ALA 92 - HG3 LYS 86 lone 4 65 - 5 - 9948/3.0=1 Peak 2664 from cnoeabs.peaks (1.47, 1.47, 25.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 86 + HG3 LYS 86 OK 100 100 - 100 Peak 2665 from cnoeabs.peaks (1.66, 1.47, 25.00 ppm; 2.75 A): 2 out of 13 assignments used, quality = 0.98: * HD2 LYS 86 + HG3 LYS 86 OK 88 100 - 88 - 3.0=79, 2632/3.0=6...(17) HD3 LYS 86 + HG3 LYS 86 OK 88 100 - 88 - 3.0=79, 2632/3.0=6...(17) HD3 LYS 24 - HG3 LYS 86 OK 21 100 - 21 - 2654/1.8=2, 3.0/2668=2...(9) HD2 LYS 24 - HG3 LYS 86 OK 20 99 - 21 - 2654/1.8=2, 3.0/2668=2...(9) HD3 LYS 31 - HG3 LYS 86 OK 12 100 - 12 - 2655/1.8=1, 2632/3.0=1 HD2 LYS 31 - HG3 LYS 86 OK 12 99 - 12 - 2654/1.8=1, 2632/3.0=1 QB ALA 88 - HG3 LYS 86 lone 8 99 - 8 - 7143/4.5=2, 2616/3.7=1...(4) HD2 LYS 26 - HG3 LYS 86 lone 7 100 - 7 - HD3 LYS 26 - HG3 LYS 86 lone 7 100 - 7 - HD3 LYS 95 - HG3 LYS 86 lone 2 100 - 2 - HD2 LYS 95 - HG3 LYS 86 lone 2 92 - 2 - HB2 LEU 123 - HG3 LYS 86 lone 1 65 - 2 - HB2 LEU 98 - HG3 LYS 86 lone 1 81 - 1 - Peak 2666 from cnoeabs.peaks (1.66, 1.47, 25.00 ppm; 2.75 A): 2 out of 13 assignments used, quality = 0.98: HD2 LYS 86 + HG3 LYS 86 OK 88 100 - 88 - 3.0=79, 2632/3.0=6...(17) * HD3 LYS 86 + HG3 LYS 86 OK 88 100 - 88 - 3.0=79, 2632/3.0=6...(17) HD3 LYS 24 - HG3 LYS 86 OK 21 100 - 21 - 2654/1.8=2, 3.0/2668=2...(9) HD2 LYS 24 - HG3 LYS 86 OK 20 99 - 21 - 2654/1.8=2, 3.0/2668=2...(9) HD3 LYS 31 - HG3 LYS 86 OK 12 100 - 12 - 2655/1.8=1, 2632/3.0=1 HD2 LYS 31 - HG3 LYS 86 OK 12 99 - 12 - 2654/1.8=1, 2632/3.0=1 QB ALA 88 - HG3 LYS 86 lone 8 99 - 8 - 7143/4.5=2, 2616/3.7=1...(4) HD2 LYS 26 - HG3 LYS 86 lone 7 100 - 7 - HD3 LYS 26 - HG3 LYS 86 lone 7 100 - 7 - HD3 LYS 95 - HG3 LYS 86 lone 2 100 - 2 - HD2 LYS 95 - HG3 LYS 86 lone 2 92 - 2 - HB2 LEU 123 - HG3 LYS 86 lone 1 65 - 2 - HB2 LEU 98 - HG3 LYS 86 lone 1 81 - 1 - Peak 2667 from cnoeabs.peaks (3.07, 1.47, 25.00 ppm; 5.70 A): 1 out of 2 assignments used, quality = 1.00: * HE2 LYS 86 + HG3 LYS 86 OK 100 100 - 100 - 3.7=100 HB3 HIS 5 - HG3 LYS 86 OK 18 99 - 18 - 2656/1.8=7, 2645/3.0=5...(5) Peak 2668 from cnoeabs.peaks (2.96, 1.47, 25.00 ppm; 3.55 A): 2 out of 11 assignments used, quality = 0.97: * HE3 LYS 86 + HG3 LYS 86 OK 94 100 - 94 - 3.7=86, 2707/1.8=15...(13) HE3 LYS 24 + HG3 LYS 86 OK 40 99 - 41 - 2707/1.8=6, 2708=4...(18) HE2 LYS 24 - HG3 LYS 86 OK 38 96 - 40 - 2707/1.8=4, ~2707=4...(18) HE3 LYS 36 - HG3 LYS 86 OK 37 99 - 38 - 2707/1.8=5, 2708=3...(17) HE2 LYS 36 - HG3 LYS 86 OK 37 99 - 37 - 2707/1.8=5, 2708=3...(17) HE2 LYS 19 - HG3 LYS 86 OK 17 100 - 17 - 2707/1.8=2, 2708=2...(6) HE2 LYS 31 - HG3 LYS 86 OK 16 92 - 17 - 2657/1.8=2, 3.0/2666=2...(4) HE3 LYS 19 - HG3 LYS 86 OK 15 92 - 16 - 2657/1.8=2, ~2707=2...(5) HE3 LYS 31 - HG3 LYS 86 OK 13 73 - 18 - 3.0/2666=2, 3.0/2666=2...(5) HE2 LYS 26 - HG3 LYS 86 lone 7 73 - 9 - HE3 LYS 26 - HG3 LYS 86 lone 7 73 - 9 - Peak 2669 from cnoeabs.peaks (8.12, 1.47, 25.00 ppm; 5.90 A): 2 out of 3 assignments used, quality = 0.94: * H PHE 87 + HG3 LYS 86 OK 91 100 - 91 - 2635/3.0=35, 7154/4.5=35...(10) H ASN 121 + HG3 LYS 86 OK 35 92 - 37 - 2658/1.8=10, 2635/3.0=9...(5) H GLU 91 - HG3 LYS 86 OK 23 65 - 36 - 4.4/2662=9, 2658/1.8=8...(6) Peak 2670 from cnoeabs.peaks (8.34, 1.66, 29.87 ppm; 6.78 A): 2 out of 6 assignments used, quality = 1.00: * H LYS 86 + HD2 LYS 86 OK 100 100 - 100 - 5.6=100 H LYS 86 + HD3 LYS 86 OK 100 100 - 100 - 5.6=100 H GLU 44 - HD3 LYS 86 OK 28 81 - 35 - 2648/3.0=7, 2637/3.5=7...(8) H GLU 44 - HD2 LYS 86 OK 28 81 - 35 - 2648/3.0=7, 2637/3.5=7...(8) H LYS 19 - HD2 LYS 86 OK 27 65 - 42 - 2659/3.0=8, 2625/3.5=8...(7) H LYS 19 - HD3 LYS 86 OK 27 65 - 42 - 2659/3.0=8, 2625/3.5=8...(7) Peak 2671 from cnoeabs.peaks (3.89, 1.66, 29.87 ppm; 5.04 A): 2 out of 14 assignments used, quality = 1.00: HA LYS 86 + HD3 LYS 86 OK 99 100 - 99 - 5.5=78, ~2629=20...(28) * HA LYS 86 + HD2 LYS 86 OK 99 100 - 99 - 5.5=78, ~2629=20...(28) HA3 GLY 2 - HD3 LYS 86 OK 22 87 - 26 - 2649/3.0=4, 2660/3.0=4...(9) HA2 GLY 2 - HD2 LYS 86 OK 22 87 - 26 - 2649/3.0=4, 2660/3.0=4...(9) HA2 GLY 2 - HD3 LYS 86 OK 22 87 - 26 - 2649/3.0=4, 2660/3.0=4...(9) HA3 GLY 2 - HD2 LYS 86 OK 22 87 - 26 - 2649/3.0=4, 2660/3.0=4...(9) HA LEU 70 - HD2 LYS 86 OK 20 87 - 23 - 2638/3.5=4, 2626/3.5=4...(7) HA LEU 70 - HD3 LYS 86 OK 20 87 - 23 - 2638/3.5=4, 2626/3.5=4...(7) HB3 SER 50 - HD2 LYS 86 OK 17 100 - 17 - 2626/3.5=3, 2638/3.5=3...(6) HB3 SER 50 - HD3 LYS 86 OK 17 100 - 17 - 2626/3.5=3, 2638/3.5=3...(6) HA2 GLY 114 - HD2 LYS 86 OK 16 92 - 18 - 2626/3.5=3, 2638/3.5=3...(6) HA2 GLY 114 - HD3 LYS 86 OK 16 92 - 18 - 2626/3.5=3, 2638/3.5=3...(6) HA ALA 46 - HD3 LYS 86 lone 5 73 - 7 - HA ALA 46 - HD2 LYS 86 lone 5 73 - 7 - Peak 2672 from cnoeabs.peaks (1.79, 1.66, 29.87 ppm; 3.23 A): 2 out of 8 assignments used, quality = 0.99: HB2 LYS 86 + HD3 LYS 86 OK 93 100 - 93 - 3.5=76, 2629/3.0=22...(25) * HB2 LYS 86 + HD2 LYS 86 OK 93 100 - 93 - 3.5=76, 2629/3.0=22...(25) HB3 LEU 122 - HD2 LYS 86 OK 24 100 - 25 - 2650/3.0=6, 2661/3.0=5...(7) HB3 LEU 122 - HD3 LYS 86 OK 24 100 - 25 - 2650/3.0=6, 2661/3.0=5...(7) HB3 LEU 103 - HD2 LYS 86 OK 18 99 - 18 - 2661/3.0=4, 2650/3.0=4...(7) HB3 LEU 103 - HD3 LYS 86 OK 18 99 - 18 - 2661/3.0=4, 2650/3.0=4...(7) HB3 LEU 123 - HD3 LYS 86 lone 1 34 - 3 - HB3 LEU 123 - HD2 LYS 86 lone 1 34 - 3 - Peak 2673 from cnoeabs.peaks (1.95, 1.66, 29.87 ppm; 4.01 A): 2 out of 8 assignments used, quality = 1.00: * HB3 LYS 86 + HD2 LYS 86 OK 100 100 - 100 - 3.5=100 HB3 LYS 86 + HD3 LYS 86 OK 100 100 - 100 - 3.5=100 HB3 ARG 90 - HD2 LYS 86 OK 33 96 - 34 - ~9897=7, 2662/3.0=6...(8) HB3 ARG 90 - HD3 LYS 86 OK 33 96 - 34 - ~9897=7, 2662/3.0=6...(8) HB2 GLU 30 - HD2 LYS 86 OK 21 100 - 21 - 2651/3.0=4, 2662/3.0=4...(7) HB2 GLU 30 - HD3 LYS 86 OK 21 100 - 21 - 2651/3.0=4, 2662/3.0=4...(7) HB2 PRO 58 - HD2 LYS 86 OK 13 87 - 15 - 2651/3.0=3, 2662/3.0=3...(7) HB2 PRO 58 - HD3 LYS 86 OK 13 87 - 15 - 2651/3.0=3, 2662/3.0=3...(7) Peak 2674 from cnoeabs.peaks (1.42, 1.66, 29.87 ppm; 3.94 A): 2 out of 6 assignments used, quality = 1.00: * HG2 LYS 86 + HD2 LYS 86 OK 100 100 - 100 - 3.0=100 HG2 LYS 86 + HD3 LYS 86 OK 100 100 - 100 - 3.0=100 QB ALA 34 - HD2 LYS 86 OK 37 99 - 37 - 10877/3.5=8, 2629/3.5=7...(9) QB ALA 34 - HD3 LYS 86 OK 37 99 - 37 - 10877/3.5=8, 2629/3.5=7...(9) QB ALA 92 - HD3 LYS 86 OK 11 65 - 17 - 9948/3.5=3, 3.0/9938=2...(8) QB ALA 92 - HD2 LYS 86 OK 11 65 - 17 - 9948/3.5=3, 3.0/9938=2...(8) Peak 2675 from cnoeabs.peaks (1.47, 1.66, 29.87 ppm; 3.48 A): 2 out of 6 assignments used, quality = 1.00: HG3 LYS 86 + HD3 LYS 86 OK 100 100 - 100 - 3.0=100 * HG3 LYS 86 + HD2 LYS 86 OK 100 100 - 100 - 3.0=100 HG3 LYS 36 - HD2 LYS 86 OK 20 73 - 27 - 2697/3.0=4, 2653/3.0=3...(10) HG3 LYS 36 - HD3 LYS 86 OK 20 73 - 27 - 2697/3.0=4, 2653/3.0=3...(10) QB ALA 52 - HD2 LYS 86 OK 15 92 - 16 - 2642/3.5=3, 2630/3.5=3...(7) QB ALA 52 - HD3 LYS 86 OK 15 92 - 16 - 2642/3.5=3, 2630/3.5=3...(7) Peak 2676 from cnoeabs.peaks (1.66, 1.66, 29.87 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 86 + HD3 LYS 86 OK 100 100 - 100 * HD2 LYS 86 + HD2 LYS 86 OK 100 100 - 100 Peak 2677 from cnoeabs.peaks (1.66, 1.66, 29.87 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 86 + HD3 LYS 86 OK 100 100 - 100 HD2 LYS 86 + HD2 LYS 86 OK 100 100 - 100 Reference assignment not found: HD3 LYS 86 - HD2 LYS 86 Peak 2678 from cnoeabs.peaks (3.07, 1.66, 29.87 ppm; 3.97 A): 2 out of 4 assignments used, quality = 1.00: * HE2 LYS 86 + HD2 LYS 86 OK 100 100 - 100 - 3.0=100 HE2 LYS 86 + HD3 LYS 86 OK 100 100 - 100 - 3.0=100 HB3 HIS 5 - HD2 LYS 86 OK 11 99 - 10 - 2656/3.0=3, 2667/3.0=3...(5) HB3 HIS 5 - HD3 LYS 86 OK 11 99 - 10 - 2656/3.0=3, 2667/3.0=3...(5) Peak 2679 from cnoeabs.peaks (2.96, 1.66, 29.87 ppm; 3.24 A): 2 out of 22 assignments used, quality = 1.00: HE3 LYS 86 + HD3 LYS 86 OK 100 100 - 100 - 3.0=100 * HE3 LYS 86 + HD2 LYS 86 OK 100 100 - 100 - 3.0=100 HE3 LYS 24 - HD2 LYS 86 OK 28 99 - 28 - 2707/3.0=4, 2668/3.0=3...(10) HE3 LYS 24 - HD3 LYS 86 OK 28 99 - 28 - 2707/3.0=4, 2668/3.0=3...(10) HE3 LYS 36 - HD2 LYS 86 OK 27 99 - 27 - 2707/3.0=3, 2668/3.0=3...(13) HE3 LYS 36 - HD3 LYS 86 OK 27 99 - 27 - 2707/3.0=3, 2668/3.0=3...(13) HE2 LYS 36 - HD3 LYS 86 OK 27 99 - 27 - 2707/3.0=3, 2668/3.0=3...(14) HE2 LYS 36 - HD2 LYS 86 OK 27 99 - 27 - 2707/3.0=3, 2668/3.0=3...(14) HE2 LYS 24 - HD2 LYS 86 OK 26 96 - 28 - 2707/3.0=3, 2668/3.0=3...(13) HE2 LYS 24 - HD3 LYS 86 OK 26 96 - 28 - 2707/3.0=3, 2668/3.0=3...(13) HE2 LYS 19 - HD3 LYS 86 OK 13 100 - 12 - 2707/3.0=2, 2668/3.0=1...(4) HE2 LYS 19 - HD2 LYS 86 OK 13 100 - 12 - 2707/3.0=2, 2668/3.0=1...(4) HE2 LYS 31 - HD3 LYS 86 OK 12 92 - 13 - 2668/3.0=1, 2657/3.0=1 HE2 LYS 31 - HD2 LYS 86 OK 12 92 - 13 - 2668/3.0=1, 2657/3.0=1 HE3 LYS 19 - HD3 LYS 86 OK 11 92 - 11 - 2657/3.0=1, 2668/3.0=1 HE3 LYS 19 - HD2 LYS 86 OK 11 92 - 11 - 2657/3.0=1, 2668/3.0=1 HE3 LYS 31 - HD2 LYS 86 poor 10 73 - 13 - HE3 LYS 31 - HD3 LYS 86 poor 10 73 - 13 - HE2 LYS 26 - HD3 LYS 86 lone 5 73 - 6 - HE2 LYS 26 - HD2 LYS 86 lone 5 73 - 6 - HE3 LYS 26 - HD3 LYS 86 lone 5 73 - 6 - HE3 LYS 26 - HD2 LYS 86 lone 5 73 - 6 - Peak 2681 from cnoeabs.peaks (8.34, 1.66, 29.87 ppm; 6.78 A): 2 out of 6 assignments used, quality = 1.00: H LYS 86 + HD2 LYS 86 OK 100 100 - 100 - 5.6=100 * H LYS 86 + HD3 LYS 86 OK 100 100 - 100 - 5.6=100 H GLU 44 - HD3 LYS 86 OK 28 81 - 35 - 2648/3.0=7, 2637/3.5=7...(8) H GLU 44 - HD2 LYS 86 OK 28 81 - 35 - 2648/3.0=7, 2637/3.5=7...(8) H LYS 19 - HD2 LYS 86 OK 27 65 - 42 - 2659/3.0=8, 2625/3.5=8...(7) H LYS 19 - HD3 LYS 86 OK 27 65 - 42 - 2659/3.0=8, 2625/3.5=8...(7) Peak 2682 from cnoeabs.peaks (3.89, 1.66, 29.87 ppm; 5.04 A): 2 out of 14 assignments used, quality = 1.00: * HA LYS 86 + HD3 LYS 86 OK 99 100 - 99 - 5.5=78, ~2629=20...(28) HA LYS 86 + HD2 LYS 86 OK 99 100 - 99 - 5.5=78, ~2629=20...(28) HA3 GLY 2 - HD3 LYS 86 OK 22 87 - 26 - 2649/3.0=4, 2660/3.0=4...(9) HA2 GLY 2 - HD2 LYS 86 OK 22 87 - 26 - 2649/3.0=4, 2660/3.0=4...(9) HA2 GLY 2 - HD3 LYS 86 OK 22 87 - 26 - 2649/3.0=4, 2660/3.0=4...(9) HA3 GLY 2 - HD2 LYS 86 OK 22 87 - 26 - 2649/3.0=4, 2660/3.0=4...(9) HA LEU 70 - HD2 LYS 86 OK 20 87 - 23 - 2638/3.5=4, 2626/3.5=4...(7) HA LEU 70 - HD3 LYS 86 OK 20 87 - 23 - 2638/3.5=4, 2626/3.5=4...(7) HB3 SER 50 - HD2 LYS 86 OK 17 100 - 17 - 2626/3.5=3, 2638/3.5=3...(6) HB3 SER 50 - HD3 LYS 86 OK 17 100 - 17 - 2626/3.5=3, 2638/3.5=3...(6) HA2 GLY 114 - HD2 LYS 86 OK 16 92 - 18 - 2626/3.5=3, 2638/3.5=3...(6) HA2 GLY 114 - HD3 LYS 86 OK 16 92 - 18 - 2626/3.5=3, 2638/3.5=3...(6) HA ALA 46 - HD3 LYS 86 lone 5 73 - 7 - HA ALA 46 - HD2 LYS 86 lone 5 73 - 7 - Peak 2683 from cnoeabs.peaks (1.79, 1.66, 29.87 ppm; 3.23 A): 2 out of 8 assignments used, quality = 0.99: * HB2 LYS 86 + HD3 LYS 86 OK 93 100 - 93 - 3.5=76, 2629/3.0=22...(25) HB2 LYS 86 + HD2 LYS 86 OK 93 100 - 93 - 3.5=76, 2629/3.0=22...(25) HB3 LEU 122 - HD2 LYS 86 OK 24 100 - 25 - 2650/3.0=6, 2661/3.0=5...(7) HB3 LEU 122 - HD3 LYS 86 OK 24 100 - 25 - 2650/3.0=6, 2661/3.0=5...(7) HB3 LEU 103 - HD2 LYS 86 OK 18 99 - 18 - 2661/3.0=4, 2650/3.0=4...(7) HB3 LEU 103 - HD3 LYS 86 OK 18 99 - 18 - 2661/3.0=4, 2650/3.0=4...(7) HB3 LEU 123 - HD3 LYS 86 lone 1 34 - 3 - HB3 LEU 123 - HD2 LYS 86 lone 1 34 - 3 - Peak 2684 from cnoeabs.peaks (1.95, 1.66, 29.87 ppm; 4.01 A): 2 out of 8 assignments used, quality = 1.00: HB3 LYS 86 + HD2 LYS 86 OK 100 100 - 100 - 3.5=100 * HB3 LYS 86 + HD3 LYS 86 OK 100 100 - 100 - 3.5=100 HB3 ARG 90 - HD2 LYS 86 OK 33 96 - 34 - ~9897=7, 2662/3.0=6...(8) HB3 ARG 90 - HD3 LYS 86 OK 33 96 - 34 - ~9897=7, 2662/3.0=6...(8) HB2 GLU 30 - HD2 LYS 86 OK 21 100 - 21 - 2651/3.0=4, 2662/3.0=4...(7) HB2 GLU 30 - HD3 LYS 86 OK 21 100 - 21 - 2651/3.0=4, 2662/3.0=4...(7) HB2 PRO 58 - HD2 LYS 86 OK 13 87 - 15 - 2651/3.0=3, 2662/3.0=3...(7) HB2 PRO 58 - HD3 LYS 86 OK 13 87 - 15 - 2651/3.0=3, 2662/3.0=3...(7) Peak 2685 from cnoeabs.peaks (1.42, 1.66, 29.87 ppm; 3.94 A): 2 out of 6 assignments used, quality = 1.00: HG2 LYS 86 + HD2 LYS 86 OK 100 100 - 100 - 3.0=100 * HG2 LYS 86 + HD3 LYS 86 OK 100 100 - 100 - 3.0=100 QB ALA 34 - HD2 LYS 86 OK 37 99 - 37 - 10877/3.5=8, 2629/3.5=7...(9) QB ALA 34 - HD3 LYS 86 OK 37 99 - 37 - 10877/3.5=8, 2629/3.5=7...(9) QB ALA 92 - HD3 LYS 86 OK 11 65 - 17 - 9948/3.5=3, 3.0/9938=2...(8) QB ALA 92 - HD2 LYS 86 OK 11 65 - 17 - 9948/3.5=3, 3.0/9938=2...(8) Peak 2686 from cnoeabs.peaks (1.47, 1.66, 29.87 ppm; 3.48 A): 2 out of 6 assignments used, quality = 1.00: * HG3 LYS 86 + HD3 LYS 86 OK 100 100 - 100 - 3.0=100 HG3 LYS 86 + HD2 LYS 86 OK 100 100 - 100 - 3.0=100 HG3 LYS 36 - HD2 LYS 86 OK 20 73 - 27 - 2697/3.0=4, 2653/3.0=3...(10) HG3 LYS 36 - HD3 LYS 86 OK 20 73 - 27 - 2697/3.0=4, 2653/3.0=3...(10) QB ALA 52 - HD2 LYS 86 OK 15 92 - 16 - 2642/3.5=3, 2630/3.5=3...(7) QB ALA 52 - HD3 LYS 86 OK 15 92 - 16 - 2642/3.5=3, 2630/3.5=3...(7) Peak 2687 from cnoeabs.peaks (1.66, 1.66, 29.87 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 86 + HD3 LYS 86 OK 100 100 - 100 HD2 LYS 86 + HD2 LYS 86 OK 100 100 - 100 Reference assignment not found: HD2 LYS 86 - HD3 LYS 86 Peak 2688 from cnoeabs.peaks (1.66, 1.66, 29.87 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 86 + HD3 LYS 86 OK 100 100 - 100 HD2 LYS 86 + HD2 LYS 86 OK 100 100 - 100 Peak 2689 from cnoeabs.peaks (3.07, 1.66, 29.87 ppm; 3.97 A): 2 out of 4 assignments used, quality = 1.00: HE2 LYS 86 + HD2 LYS 86 OK 100 100 - 100 - 3.0=100 * HE2 LYS 86 + HD3 LYS 86 OK 100 100 - 100 - 3.0=100 HB3 HIS 5 - HD2 LYS 86 OK 11 99 - 10 - 2656/3.0=3, 2667/3.0=3...(5) HB3 HIS 5 - HD3 LYS 86 OK 11 99 - 10 - 2656/3.0=3, 2667/3.0=3...(5) Peak 2690 from cnoeabs.peaks (2.96, 1.66, 29.87 ppm; 3.24 A): 2 out of 22 assignments used, quality = 1.00: * HE3 LYS 86 + HD3 LYS 86 OK 100 100 - 100 - 3.0=100 HE3 LYS 86 + HD2 LYS 86 OK 100 100 - 100 - 3.0=100 HE3 LYS 24 - HD2 LYS 86 OK 28 99 - 28 - 2707/3.0=4, 2668/3.0=3...(10) HE3 LYS 24 - HD3 LYS 86 OK 28 99 - 28 - 2707/3.0=4, 2668/3.0=3...(10) HE3 LYS 36 - HD2 LYS 86 OK 27 99 - 27 - 2707/3.0=3, 2668/3.0=3...(13) HE3 LYS 36 - HD3 LYS 86 OK 27 99 - 27 - 2707/3.0=3, 2668/3.0=3...(13) HE2 LYS 36 - HD3 LYS 86 OK 27 99 - 27 - 2707/3.0=3, 2668/3.0=3...(14) HE2 LYS 36 - HD2 LYS 86 OK 27 99 - 27 - 2707/3.0=3, 2668/3.0=3...(14) HE2 LYS 24 - HD2 LYS 86 OK 26 96 - 28 - 2707/3.0=3, 2668/3.0=3...(13) HE2 LYS 24 - HD3 LYS 86 OK 26 96 - 28 - 2707/3.0=3, 2668/3.0=3...(13) HE2 LYS 19 - HD3 LYS 86 OK 13 100 - 12 - 2707/3.0=2, 2668/3.0=1...(4) HE2 LYS 19 - HD2 LYS 86 OK 13 100 - 12 - 2707/3.0=2, 2668/3.0=1...(4) HE2 LYS 31 - HD3 LYS 86 OK 12 92 - 13 - 2668/3.0=1, 2657/3.0=1 HE2 LYS 31 - HD2 LYS 86 OK 12 92 - 13 - 2668/3.0=1, 2657/3.0=1 HE3 LYS 19 - HD3 LYS 86 OK 11 92 - 11 - 2657/3.0=1, 2668/3.0=1 HE3 LYS 19 - HD2 LYS 86 OK 11 92 - 11 - 2657/3.0=1, 2668/3.0=1 HE3 LYS 31 - HD2 LYS 86 poor 10 73 - 13 - HE3 LYS 31 - HD3 LYS 86 poor 10 73 - 13 - HE2 LYS 26 - HD3 LYS 86 lone 5 73 - 6 - HE2 LYS 26 - HD2 LYS 86 lone 5 73 - 6 - HE3 LYS 26 - HD3 LYS 86 lone 5 73 - 6 - HE3 LYS 26 - HD2 LYS 86 lone 5 73 - 6 - Peak 2693 from cnoeabs.peaks (3.89, 3.07, 41.80 ppm; 6.72 A): 1 out of 7 assignments used, quality = 1.00: * HA LYS 86 + HE2 LYS 86 OK 100 100 - 100 - 6.0=100 HA LEU 70 - HE2 LYS 86 OK 29 87 - 33 - 3.8/11777=6, 2638/4.9=5...(10) HA2 GLY 2 - HE2 LYS 86 OK 27 87 - 31 - 2660/3.7=5, 2649/3.7=5...(11) HA3 GLY 2 - HE2 LYS 86 OK 27 87 - 31 - 2660/3.7=5, 2649/3.7=5...(11) HB3 SER 50 - HE2 LYS 86 OK 24 100 - 24 - 2649/3.7=4, 2660/3.7=4...(8) HA2 GLY 114 - HE2 LYS 86 OK 22 92 - 24 - 2649/3.7=4, 2660/3.7=4...(9) HA ALA 46 - HE2 LYS 86 lone 7 73 - 10 - 2649/3.7=1, 2660/3.7=1...(4) Peak 2694 from cnoeabs.peaks (1.79, 3.07, 41.80 ppm; 4.35 A): 1 out of 4 assignments used, quality = 0.96: * HB2 LYS 86 + HE2 LYS 86 OK 96 100 - 96 - 4.9=71, 2629/3.7=29...(20) HB3 LEU 122 - HE2 LYS 86 OK 34 100 - 34 - 2661/3.7=8, 2650/3.7=8...(8) HB3 LEU 103 - HE2 LYS 86 OK 25 99 - 25 - 2661/3.7=5, 2650/3.7=5...(8) HB3 LEU 123 - HE2 LYS 86 lone 1 34 - 4 - Peak 2695 from cnoeabs.peaks (1.95, 3.07, 41.80 ppm; 4.42 A): 1 out of 4 assignments used, quality = 0.96: * HB3 LYS 86 + HE2 LYS 86 OK 96 100 - 96 - 4.9=75, 1.8/2694=24...(24) HB3 ARG 90 - HE2 LYS 86 OK 29 96 - 30 - 2662/3.7=6, 2651/3.7=6...(8) HB2 GLU 30 - HE2 LYS 86 OK 22 100 - 22 - 2651/3.7=4, 2662/3.7=4...(8) HB2 PRO 58 - HE2 LYS 86 OK 13 87 - 15 - 2651/3.7=3, 2662/3.7=3...(7) Peak 2696 from cnoeabs.peaks (1.42, 3.07, 41.80 ppm; 3.95 A): 1 out of 3 assignments used, quality = 1.00: * HG2 LYS 86 + HE2 LYS 86 OK 100 100 - 100 - 3.7=100 QB ALA 34 - HE2 LYS 86 OK 29 99 - 29 - 10877/4.9=6, 2663/3.7=5...(8) QB ALA 92 - HE2 LYS 86 poor 8 65 - 12 - 9948/4.9=2...(7) Peak 2697 from cnoeabs.peaks (1.47, 3.07, 41.80 ppm; 3.81 A): 1 out of 3 assignments used, quality = 1.00: * HG3 LYS 86 + HE2 LYS 86 OK 100 100 - 100 - 3.7=100 HG3 LYS 36 - HE2 LYS 86 OK 21 73 - 28 - 2653/3.7=3, 2642/4.9=3...(9) QB ALA 52 - HE2 LYS 86 OK 14 92 - 15 - 2642/4.9=3, 2653/3.7=2...(8) Peak 2698 from cnoeabs.peaks (1.66, 3.07, 41.80 ppm; 3.20 A): 2 out of 13 assignments used, quality = 1.00: * HD2 LYS 86 + HE2 LYS 86 OK 100 100 - 100 - 3.0=100 HD3 LYS 86 + HE2 LYS 86 OK 100 100 - 100 - 3.0=100 HD3 LYS 24 - HE2 LYS 86 OK 16 100 - 16 - 3.0/2711=2, 3.0/2701=2...(6) HD2 LYS 24 - HE2 LYS 86 OK 16 99 - 16 - 3.0/2711=2, 3.0/2701=2...(6) HD3 LYS 31 - HE2 LYS 86 OK 12 100 - 12 - 2666/3.7=1, 2655/3.7=1 HD2 LYS 31 - HE2 LYS 86 OK 12 99 - 12 - 2666/3.7=1 QB ALA 88 - HE2 LYS 86 lone 7 99 - 7 - 2616/6.0=1 HD2 LYS 26 - HE2 LYS 86 lone 6 100 - 6 - HD3 LYS 26 - HE2 LYS 86 lone 6 100 - 6 - HD3 LYS 95 - HE2 LYS 86 lone 2 100 - 2 - HD2 LYS 95 - HE2 LYS 86 lone 1 92 - 1 - HB2 LEU 123 - HE2 LYS 86 lone 1 65 - 2 - HB2 LEU 98 - HE2 LYS 86 lone 1 81 - 1 - Peak 2699 from cnoeabs.peaks (1.66, 3.07, 41.80 ppm; 3.20 A): 2 out of 13 assignments used, quality = 1.00: HD2 LYS 86 + HE2 LYS 86 OK 100 100 - 100 - 3.0=100 * HD3 LYS 86 + HE2 LYS 86 OK 100 100 - 100 - 3.0=100 HD3 LYS 24 - HE2 LYS 86 OK 16 100 - 16 - 3.0/2711=2, 3.0/2701=2...(6) HD2 LYS 24 - HE2 LYS 86 OK 16 99 - 16 - 3.0/2711=2, 3.0/2701=2...(6) HD3 LYS 31 - HE2 LYS 86 OK 12 100 - 12 - 2666/3.7=1, 2655/3.7=1 HD2 LYS 31 - HE2 LYS 86 OK 12 99 - 12 - 2666/3.7=1 QB ALA 88 - HE2 LYS 86 lone 7 99 - 7 - 2616/6.0=1 HD2 LYS 26 - HE2 LYS 86 lone 6 100 - 6 - HD3 LYS 26 - HE2 LYS 86 lone 6 100 - 6 - HD3 LYS 95 - HE2 LYS 86 lone 2 100 - 2 - HD2 LYS 95 - HE2 LYS 86 lone 1 92 - 1 - HB2 LEU 123 - HE2 LYS 86 lone 1 65 - 2 - HB2 LEU 98 - HE2 LYS 86 lone 1 81 - 1 - Peak 2700 from cnoeabs.peaks (3.07, 3.07, 41.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 86 + HE2 LYS 86 OK 100 100 - 100 Peak 2701 from cnoeabs.peaks (2.96, 3.07, 41.80 ppm; 2.50 A): 1 out of 11 assignments used, quality = 1.00: * HE3 LYS 86 + HE2 LYS 86 OK 100 100 - 100 - 1.8=100 HE3 LYS 36 - HE2 LYS 86 OK 12 99 - 12 - 2711=2, 1.8/2711=2...(5) HE3 LYS 24 - HE2 LYS 86 OK 12 99 - 12 - 2711=2, 2707/3.7=2...(4) HE2 LYS 36 - HE2 LYS 86 OK 12 99 - 12 - 2711=2, 1.8/2711=2...(5) HE2 LYS 24 - HE2 LYS 86 OK 11 96 - 12 - 1.8/2711=2, 2711=1...(4) HE2 LYS 31 - HE2 LYS 86 lone 5 92 - 6 - HE2 LYS 19 - HE2 LYS 86 lone 5 100 - 5 - HE3 LYS 19 - HE2 LYS 86 lone 4 92 - 4 - HE3 LYS 31 - HE2 LYS 86 lone 4 73 - 5 - HE2 LYS 26 - HE2 LYS 86 lone 2 73 - 2 - HE3 LYS 26 - HE2 LYS 86 lone 2 73 - 2 - Peak 2703 from cnoeabs.peaks (8.34, 2.96, 41.80 ppm; 4.70 A): 3 out of 24 assignments used, quality = 0.93: * H LYS 86 + HE3 LYS 86 OK 82 100 - 82 - 6.9=31, 7142/3.7=25...(11) H LYS 19 + HE2 LYS 19 OK 46 64 - 73 - 7.3=27, 270/3.8=13...(20) H LYS 86 + HE3 LYS 24 OK 27 96 - 28 - 4.5/2707=5, 4.0/2705=4...(12) H LYS 86 - HE2 LYS 36 OK 22 96 - 23 - 4.5/2707=4, 7142/4.0=4...(10) H LYS 86 - HE3 LYS 36 OK 22 96 - 23 - 4.5/2707=4, 7142/4.0=4...(10) H LYS 19 - HE3 LYS 19 OK 22 31 - 71 - 7.3=27, 270/3.8=13...(17) H LYS 86 - HE2 LYS 24 OK 19 73 - 26 - 4.0/2634=4, 4.5/2657=4...(13) H LYS 19 - HE3 LYS 24 OK 17 58 - 29 - 4.9/318=5, 281/4.0=4...(12) H GLU 44 - HE3 LYS 86 OK 16 81 - 19 - 2648/3.7=4, 2659/3.7=4...(7) H LYS 86 - HE2 LYS 19 OK 15 99 - 15 - 4.5/2707=2, 4.0/2705=2...(5) H LYS 19 - HE3 LYS 86 OK 15 65 - 23 - 2659/3.7=5, 2625/4.9=5...(7) H LYS 19 - HE2 LYS 24 OK 13 41 - 32 - 4.9/318=5, 281/4.0=4...(13) H LYS 19 - HE2 LYS 36 poor 9 58 - 16 - 4.9/318=3, 3.0/315=1...(4) H LYS 86 - HE2 LYS 31 poor 8 57 - 14 - 4.0/2634=2, 4.5/2668=2...(8) H LYS 19 - HE2 LYS 31 poor 8 31 - 26 - 6152/3.7=3, 259/4.8=3...(12) H LYS 19 - HE3 LYS 36 poor 8 58 - 13 - 4.9/318=3, 3.0/315=1 H LYS 86 - HE3 LYS 19 poor 7 57 - 12 - 4.0/2634=2, 4.5/2657=2...(5) H GLU 44 - HE2 LYS 19 lone 4 79 - 5 - 6522/2.9=2, 6522/2.9=2 H GLU 44 - HE3 LYS 19 lone 2 39 - 4 - 6522/2.9=2, 6522/2.9=2 H GLU 44 - HE3 LYS 24 lone 2 73 - 2 - H GLU 44 - HE2 LYS 36 lone 2 73 - 2 - H GLU 44 - HE3 LYS 36 lone 2 73 - 2 - H GLU 44 - HE2 LYS 24 lone 1 52 - 2 - H GLU 44 - HE2 LYS 31 lone 1 39 - 1 - Peak 2704 from cnoeabs.peaks (3.89, 2.96, 41.80 ppm; 6.80 A): 4 out of 56 assignments used, quality = 1.00: * HA LYS 86 + HE3 LYS 86 OK 100 100 - 100 - 6.0=100 HA LYS 86 + HE3 LYS 24 OK 57 96 - 61 - 3.0/2634=7, 3.7/2657=6...(22) HA LYS 86 + HE3 LYS 36 OK 47 96 - 49 - 2615/4.0=7, 3.7/2657=6...(14) HA LYS 86 + HE2 LYS 36 OK 47 96 - 49 - 2615/4.0=7, 3.0/2634=6...(14) HA LYS 86 - HE2 LYS 24 OK 44 73 - 61 - 3.0/2634=6, 3.7/2657=6...(22) HA LYS 86 - HE2 LYS 19 OK 34 99 - 33 - 2610/7.3=5, 11778/5.1=3...(16) HA3 GLY 2 - HE3 LYS 86 OK 30 87 - 35 - 2660/3.7=5, 2649/3.7=5...(11) HA2 GLY 2 - HE3 LYS 86 OK 30 87 - 35 - 2660/3.7=5, 2649/3.7=5...(11) HB3 SER 50 - HE3 LYS 86 OK 26 100 - 25 - 2693/1.8=4, 2649/3.7=4...(8) HA LEU 70 - HE3 LYS 86 OK 26 87 - 30 - 2693/1.8=5, 2638/4.9=5...(8) HA2 GLY 114 - HE3 LYS 86 OK 23 92 - 25 - 2693/1.8=4, 2649/3.7=4...(8) HA LYS 86 - HE2 LYS 31 OK 21 57 - 36 - 11778/4.8=4, 2617/3.0=3...(19) HA LYS 86 - HE3 LYS 19 OK 19 57 - 33 - 2610/7.3=5, 11778/5.1=3...(15) HA ALA 46 - HE3 LYS 86 poor 8 73 - 10 - 2693/1.8=1, 2649/3.7=1...(5) HA LEU 70 - HE3 LYS 36 lone 6 79 - 7 - ~6941=3 HA LEU 70 - HE2 LYS 36 lone 6 79 - 7 - ~6941=3 HB3 SER 50 - HE3 LYS 24 lone 5 95 - 5 - HA LEU 70 - HE3 LYS 24 lone 4 79 - 6 - ~6941=1 HB3 SER 50 - HE3 LYS 36 lone 4 95 - 4 - HB3 SER 50 - HE2 LYS 36 lone 4 95 - 4 - HB3 SER 50 - HE2 LYS 24 lone 4 73 - 5 - HA2 GLY 114 - HE3 LYS 24 lone 4 84 - 4 - HA2 GLY 114 - HE3 LYS 36 lone 3 84 - 4 - HA2 GLY 2 - HE3 LYS 24 lone 3 79 - 4 - HA3 GLY 2 - HE3 LYS 24 lone 3 79 - 4 - HB3 SER 50 - HE2 LYS 19 lone 3 99 - 3 - HA2 GLY 114 - HE2 LYS 36 lone 3 84 - 4 - HA2 GLY 2 - HE3 LYS 36 lone 3 79 - 4 - HA3 GLY 2 - HE3 LYS 36 lone 3 79 - 4 - HA2 GLY 2 - HE2 LYS 36 lone 3 79 - 4 - HA3 GLY 2 - HE2 LYS 36 lone 3 79 - 4 - HA2 GLY 114 - HE2 LYS 19 lone 3 90 - 3 - HA LEU 70 - HE2 LYS 24 lone 3 57 - 5 - ~6941=1 HA LEU 70 - HE2 LYS 19 lone 3 85 - 4 - HA2 GLY 2 - HE2 LYS 19 lone 3 85 - 4 - HA3 GLY 2 - HE2 LYS 19 lone 3 85 - 4 - HA2 GLY 114 - HE2 LYS 24 lone 2 62 - 4 - HA3 GLY 2 - HE2 LYS 24 lone 2 57 - 4 - HA2 GLY 2 - HE2 LYS 24 lone 2 57 - 4 - HA ALA 46 - HE2 LYS 19 lone 2 71 - 3 - HA ALA 46 - HE3 LYS 24 lone 2 66 - 3 - HA ALA 46 - HE3 LYS 36 lone 2 66 - 3 - HA ALA 46 - HE2 LYS 36 lone 2 66 - 3 - HA LEU 70 - HE2 LYS 31 lone 2 44 - 5 - ~6941=1 HB3 SER 50 - HE2 LYS 31 lone 2 57 - 3 - HB3 SER 50 - HE3 LYS 19 lone 2 57 - 3 - HA2 GLY 114 - HE2 LYS 31 lone 2 48 - 3 - HA2 GLY 114 - HE3 LYS 19 lone 2 48 - 3 - HA3 GLY 2 - HE2 LYS 31 lone 2 44 - 3 - HA2 GLY 2 - HE2 LYS 31 lone 2 44 - 3 - HA3 GLY 2 - HE3 LYS 19 lone 1 44 - 3 - HA2 GLY 2 - HE3 LYS 19 lone 1 44 - 3 - HA LEU 70 - HE3 LYS 19 lone 1 44 - 3 - HA ALA 46 - HE2 LYS 24 lone 1 46 - 3 - HA ALA 46 - HE2 LYS 31 lone 1 35 - 3 - HA ALA 46 - HE3 LYS 19 lone 1 35 - 3 - Peak 2705 from cnoeabs.peaks (1.79, 2.96, 41.80 ppm; 3.10 A): 8 out of 32 assignments used, quality = 0.94: * HB2 LYS 86 + HE3 LYS 86 OK 66 100 - 67 - 4.9=26, 2629/3.7=15...(15) HB2 LYS 86 + HE3 LYS 24 OK 29 96 - 31 - 3.0/2707=4, 2634=3...(16) HB2 LYS 86 + HE3 LYS 36 OK 24 96 - 25 - 3.0/2707=3, 3.0/2668=2...(13) HB2 LYS 86 + HE2 LYS 36 OK 24 96 - 25 - 3.0/2707=3, 3.0/2668=2...(11) HB2 LYS 86 + HE2 LYS 24 OK 22 73 - 30 - 3.0/2707=3, 2634/1.8=3...(13) HB3 LEU 122 + HE3 LYS 86 OK 20 100 - 20 - 2661/3.7=4, 2650/3.7=4...(7) HB3 LEU 103 + HE3 LYS 86 OK 15 99 - 14 - 2694/1.8=3, 2661/3.7=3...(7) HB2 LYS 86 + HE2 LYS 19 OK 12 99 - 12 - 3.0/2707=1, 2634=1...(5) HB2 LYS 86 - HE2 LYS 31 poor 8 57 - 13 - 2631/3.0=1, 2631/3.0=1...(5) HB2 LYS 86 - HE3 LYS 19 poor 6 57 - 11 - 2634/1.8=1, 2634=1 HB3 LEU 123 - HE2 LYS 19 lone 2 33 - 5 - ~10705=2 HB3 LEU 122 - HE3 LYS 24 lone 1 95 - 2 - HB3 LEU 122 - HE2 LYS 36 lone 1 95 - 1 - HB3 LEU 122 - HE3 LYS 36 lone 1 95 - 1 - HB3 LEU 123 - HE2 LYS 36 lone 1 30 - 4 - ~10705=1 HB3 LEU 103 - HE3 LYS 24 lone 1 94 - 1 - HB3 LEU 103 - HE3 LYS 36 lone 1 94 - 1 - HB3 LEU 103 - HE2 LYS 36 lone 1 94 - 1 - HB3 LEU 122 - HE2 LYS 19 lone 1 99 - 1 - HB3 LEU 122 - HE2 LYS 24 lone 1 73 - 1 - HB3 LEU 123 - HE3 LYS 36 lone 1 30 - 3 - HB3 LEU 103 - HE2 LYS 19 lone 1 98 - 1 - HB3 LEU 103 - HE2 LYS 24 lone 1 71 - 1 - HB3 LEU 123 - HE3 LYS 19 lone 1 15 - 4 - HB3 LEU 122 - HE2 LYS 31 lone 1 57 - 1 - HB3 LEU 123 - HE3 LYS 86 lone 1 34 - 2 - HB3 LEU 122 - HE3 LYS 19 lone 0 57 - 1 - HB3 LEU 103 - HE2 LYS 31 lone 0 56 - 1 - HB3 LEU 103 - HE3 LYS 19 lone 0 56 - 1 - HB3 LEU 123 - HE3 LYS 24 lone 0 30 - 1 - HB3 LEU 123 - HE2 LYS 24 lone 0 20 - 1 - HB3 LEU 123 - HE2 LYS 31 lone 0 15 - 1 - Peak 2706 from cnoeabs.peaks (1.95, 2.96, 41.80 ppm; 3.90 A): 3 out of 32 assignments used, quality = 0.95: * HB3 LYS 86 + HE3 LYS 86 OK 87 100 - 87 - 4.9=52, 2695/1.8=18...(19) HB3 LYS 86 + HE3 LYS 24 OK 42 96 - 44 - 1.8/2705=5, 3.0/2707=5...(24) HB3 LYS 86 + HE3 LYS 36 OK 36 96 - 38 - 1.8/2705=5, 3.0/2707=5...(17) HB3 LYS 86 - HE2 LYS 36 OK 36 96 - 38 - 1.8/2705=5, 3.0/2707=5...(17) HB3 LYS 86 - HE2 LYS 24 OK 32 73 - 44 - 1.8/2634=4, 3.0/2707=4...(23) HB3 ARG 90 - HE3 LYS 86 OK 25 96 - 27 - 2695/1.8=5, 2662/3.7=5...(8) HB2 GLU 30 - HE3 LYS 86 OK 19 100 - 19 - 2695/1.8=4, 2651/3.7=3...(8) HB3 LYS 86 - HE2 LYS 19 OK 18 99 - 17 - 1.8/2705=2, 3.0/2707=2...(4) HB3 LYS 86 - HE2 LYS 31 OK 12 57 - 21 - 1.8/2634=2, 2644/3.0=2...(8) HB2 PRO 58 - HE3 LYS 86 OK 11 87 - 12 - 2695/1.8=3, 2651/3.7=2...(7) HB3 LYS 86 - HE3 LYS 19 OK 10 57 - 17 - 1.8/2634=2, 3.0/2657=2...(8) HB2 GLU 30 - HE2 LYS 31 lone 5 57 - 9 - 6326/7.1=6, 10797/3.7=3 HB2 GLU 30 - HE3 LYS 24 lone 3 95 - 3 - 4.6/6337=1 HB2 GLU 30 - HE3 LYS 36 lone 3 95 - 3 - HB3 ARG 90 - HE2 LYS 19 lone 3 94 - 3 - 2804/6.4=1 HB2 GLU 30 - HE2 LYS 36 lone 2 95 - 3 - HB3 ARG 90 - HE3 LYS 36 lone 2 89 - 2 - HB3 ARG 90 - HE2 LYS 36 lone 2 89 - 2 - HB3 ARG 90 - HE3 LYS 24 lone 2 89 - 2 - HB2 GLU 30 - HE2 LYS 19 lone 2 99 - 2 - HB2 GLU 30 - HE2 LYS 24 lone 2 73 - 2 - HB3 ARG 90 - HE2 LYS 24 lone 1 66 - 2 - HB3 ARG 90 - HE3 LYS 19 lone 1 51 - 2 - 2804/6.4=1 HB3 ARG 90 - HE2 LYS 31 lone 1 51 - 2 - 6326/7.1=1 HB2 GLU 30 - HE3 LYS 19 lone 1 57 - 2 - HB2 PRO 58 - HE3 LYS 24 lone 1 79 - 1 - HB2 PRO 58 - HE3 LYS 36 lone 1 79 - 1 - HB2 PRO 58 - HE2 LYS 36 lone 1 79 - 1 - HB2 PRO 58 - HE2 LYS 19 lone 1 85 - 1 - HB2 PRO 58 - HE2 LYS 24 lone 1 57 - 1 - HB2 PRO 58 - HE2 LYS 31 lone 1 44 - 1 - HB2 PRO 58 - HE3 LYS 19 lone 0 44 - 1 - Peak 2707 from cnoeabs.peaks (1.42, 2.96, 41.80 ppm; 2.60 A): 6 out of 24 assignments used, quality = 0.83: * HG2 LYS 86 + HE3 LYS 86 OK 55 100 - 55 - 3.7=34, 2629/4.9=6...(15) HG2 LYS 86 + HE3 LYS 24 OK 22 96 - 23 - 1.8/2668=2, 2657=2...(9) HG2 LYS 86 + HE3 LYS 36 OK 20 96 - 20 - 1.8/2668=2, 2657=2...(9) HG2 LYS 86 + HE2 LYS 36 OK 19 96 - 20 - 1.8/2668=2, 2657=2...(9) HG2 LYS 86 + HE2 LYS 24 OK 17 73 - 23 - 1.8/2668=2, 2657/1.8=2...(9) QB ALA 34 + HE3 LYS 86 OK 13 99 - 13 - 2696/1.8=3, 2663/3.7=2...(7) HG2 LYS 86 - HE2 LYS 19 lone 9 99 - 9 - 1.8/2668=1 HG2 LYS 86 - HE2 LYS 31 lone 6 57 - 10 - HG2 LYS 86 - HE3 LYS 19 lone 5 57 - 8 - QB ALA 92 - HE3 LYS 86 lone 2 65 - 3 - QB ALA 92 - HE2 LYS 19 lone 1 64 - 2 - QB ALA 34 - HE3 LYS 24 lone 1 94 - 1 - QB ALA 34 - HE3 LYS 36 lone 1 94 - 1 - QB ALA 34 - HE2 LYS 36 lone 1 94 - 1 - QB ALA 34 - HE2 LYS 19 lone 1 98 - 1 - QB ALA 34 - HE2 LYS 24 lone 1 71 - 1 - QB ALA 92 - HE3 LYS 19 lone 1 31 - 2 - QB ALA 92 - HE3 LYS 24 lone 0 58 - 1 - QB ALA 92 - HE2 LYS 36 lone 0 58 - 1 - QB ALA 92 - HE3 LYS 36 lone 0 58 - 1 - QB ALA 34 - HE2 LYS 31 lone 0 56 - 0 - QB ALA 92 - HE2 LYS 24 lone 0 41 - 1 - QB ALA 34 - HE3 LYS 19 lone 0 56 - 0 - QB ALA 92 - HE2 LYS 31 lone 0 31 - 1 - Peak 2708 from cnoeabs.peaks (1.47, 2.96, 41.80 ppm; 2.81 A): 4 out of 24 assignments used, quality = 0.94: * HG3 LYS 86 + HE3 LYS 86 OK 67 100 - 68 - 3.7=43, 1.8/2707=11...(13) HG3 LYS 36 + HE3 LYS 36 OK 49 66 - 75 - 4.0=35, 1.8/1014=6...(37) HG3 LYS 36 + HE2 LYS 36 OK 49 66 - 74 - 4.0=35, 1.8/1014=6...(35) HG3 LYS 86 + HE3 LYS 24 OK 27 96 - 29 - 1.8/2707=4, 2668=3...(11) HG3 LYS 86 - HE3 LYS 36 OK 25 96 - 26 - 1.8/2707=4, 2668=3...(8) HG3 LYS 86 - HE2 LYS 36 OK 24 96 - 26 - 1.8/2707=4, 2668=3...(8) HG3 LYS 86 - HE2 LYS 24 OK 20 73 - 28 - 1.8/2707=3, 2668=3...(12) HG3 LYS 36 - HE3 LYS 24 OK 18 66 - 28 - 1.8/1015=3, 3.0/1064=2...(9) HG3 LYS 36 - HE2 LYS 24 OK 13 46 - 29 - 1.8/1014=3, 3.0/1053=2...(9) HG3 LYS 86 - HE2 LYS 19 OK 11 99 - 11 - 1.8/2707=2, 2668=1, 2668/1.8=1 HG3 LYS 36 - HE2 LYS 19 OK 10 71 - 14 - 1.8/1014=1, 3.0/1053=1 HG3 LYS 36 - HE3 LYS 86 poor 10 73 - 13 - 2697/1.8=3, 2653/3.7=2...(6) QB ALA 52 - HE3 LYS 86 lone 8 92 - 9 - 2697/1.8=2, 2653/3.7=1 HG3 LYS 86 - HE2 LYS 31 poor 7 57 - 12 - 2668=1, 1.8/2707=1...(4) HG3 LYS 86 - HE3 LYS 19 poor 6 57 - 10 - 2668/1.8=1, 2668=1, 1.8/2707=1 HG3 LYS 36 - HE2 LYS 31 poor 6 35 - 17 - 1.8/1015=2, 3.0/1064=1 HG3 LYS 36 - HE3 LYS 19 poor 5 35 - 15 - 1.8/1015=1 QB ALA 52 - HE3 LYS 24 lone 1 84 - 1 - QB ALA 52 - HE3 LYS 36 lone 1 84 - 1 - QB ALA 52 - HE2 LYS 36 lone 1 84 - 1 - QB ALA 52 - HE2 LYS 19 lone 0 90 - 0 - QB ALA 52 - HE2 LYS 24 lone 0 62 - 1 - QB ALA 52 - HE2 LYS 31 lone 0 48 - 0 - QB ALA 52 - HE3 LYS 19 lone 0 48 - 0 - Peak 2709 from cnoeabs.peaks (1.66, 2.96, 41.80 ppm; 2.50 A): 6 out of 104 assignments used, quality = 1.00: * HD2 LYS 86 + HE3 LYS 86 OK 68 100 - 68 - 3.0=60, 3.0/2707=6...(7) HD3 LYS 86 + HE3 LYS 86 OK 68 100 - 68 - 3.0=60, 3.0/2707=6...(7) HD3 LYS 24 + HE3 LYS 24 OK 67 95 - 70 - 3.0=59, 553/1.8=3...(10) HD2 LYS 24 + HE3 LYS 24 OK 66 94 - 70 - 3.0=59, 542/1.8=3...(10) HD3 LYS 24 + HE2 LYS 24 OK 52 73 - 72 - 3.0=59, 3.0/520=3...(9) HD2 LYS 24 + HE2 LYS 24 OK 51 71 - 72 - 3.0=59, 3.0/520=3...(9) HD3 LYS 31 - HE2 LYS 31 OK 42 57 - 74 - 3.0=58, 839/3.7=3...(10) HD2 LYS 31 - HE2 LYS 31 OK 41 56 - 74 - 3.0=58, 839/3.7=3...(10) HD3 LYS 31 - HE2 LYS 19 OK 18 99 - 18 - 553=1, 2.9/319=1 HD2 LYS 31 - HE2 LYS 19 OK 18 98 - 18 - 542=1, 2.9/319=1 HD3 LYS 31 - HE3 LYS 24 OK 18 95 - 19 - 2.9/840=1 HD2 LYS 31 - HE3 LYS 24 OK 18 94 - 19 - 2.9/840=1 HD3 LYS 24 - HE2 LYS 19 OK 17 99 - 17 - 3.0/520=2, 3.0/319=1, 553=1 HD2 LYS 24 - HE2 LYS 19 OK 17 98 - 17 - 3.0/520=2, 3.0/319=1, 542=1 HD2 LYS 86 - HE3 LYS 24 OK 16 96 - 17 - 3.0/2707=2, 3.0/2668=2...(8) HD3 LYS 86 - HE3 LYS 24 OK 16 96 - 17 - 3.0/2707=2, 3.0/2668=2...(8) HD3 LYS 86 - HE3 LYS 36 OK 16 96 - 17 - 3.0/2707=2, 3.0/2668=1...(7) HD2 LYS 86 - HE3 LYS 36 OK 16 96 - 17 - 3.0/2707=2, 3.0/2668=1...(7) HD2 LYS 86 - HE2 LYS 36 OK 16 96 - 17 - 3.0/2707=2, 3.0/2668=1...(7) HD3 LYS 86 - HE2 LYS 36 OK 16 96 - 17 - 3.0/2707=2, 3.0/2668=1...(7) HD3 LYS 31 - HE2 LYS 24 OK 16 73 - 22 - 553=1 HD2 LYS 31 - HE2 LYS 24 OK 15 71 - 22 - 542=1 HD3 LYS 86 - HE2 LYS 24 OK 12 73 - 17 - 3.0/2707=2, 3.0/2668=1...(7) HD2 LYS 86 - HE2 LYS 24 OK 12 73 - 17 - 3.0/2707=2, 3.0/2668=1...(7) HD3 LYS 26 - HE3 LYS 24 OK 12 95 - 13 - HD2 LYS 26 - HE3 LYS 24 OK 12 95 - 13 - HD3 LYS 26 - HE2 LYS 19 OK 12 99 - 12 - HD3 LYS 26 - HE2 LYS 31 OK 11 57 - 20 - 839/3.7=2, 828/3.7=1, 2.9/634=1 HD2 LYS 26 - HE2 LYS 31 OK 11 57 - 20 - 839/3.7=2, 828/3.7=1, 2.9/635=1 HD2 LYS 26 - HE2 LYS 19 OK 11 99 - 11 - HD3 LYS 26 - HE2 LYS 24 OK 10 73 - 15 - HD2 LYS 26 - HE2 LYS 24 OK 10 73 - 14 - HD3 LYS 24 - HE2 LYS 36 OK 10 95 - 11 - 3.0/520=1 HD2 LYS 24 - HE2 LYS 36 poor 10 94 - 11 - 3.0/520=1 HD3 LYS 24 - HE3 LYS 36 poor 10 95 - 10 - HD2 LYS 24 - HE3 LYS 36 poor 10 94 - 10 - HD3 LYS 31 - HE3 LYS 19 poor 9 57 - 16 - HD3 LYS 31 - HE2 LYS 36 lone 9 95 - 9 - HD2 LYS 31 - HE2 LYS 36 lone 9 94 - 9 - HD2 LYS 31 - HE3 LYS 19 poor 9 56 - 16 - HD3 LYS 24 - HE3 LYS 19 poor 9 57 - 16 - HD2 LYS 24 - HE3 LYS 19 poor 9 56 - 16 - HD3 LYS 24 - HE2 LYS 31 poor 9 57 - 15 - 839/3.7=1, 828/3.7=1 HD3 LYS 24 - HE3 LYS 86 lone 9 100 - 9 - 2698/1.8=1 HD2 LYS 24 - HE3 LYS 86 lone 8 99 - 9 - 2698/1.8=1 HD3 LYS 31 - HE3 LYS 36 lone 8 95 - 9 - HD2 LYS 24 - HE2 LYS 31 poor 8 56 - 15 - 839/3.7=1, 828/3.7=1 HD2 LYS 31 - HE3 LYS 36 lone 8 94 - 9 - HD3 LYS 86 - HE2 LYS 19 lone 7 99 - 7 - HD2 LYS 86 - HE2 LYS 19 lone 7 99 - 7 - HD3 LYS 31 - HE3 LYS 86 lone 6 100 - 6 - HD2 LYS 31 - HE3 LYS 86 lone 6 99 - 6 - HD3 LYS 26 - HE3 LYS 19 lone 5 57 - 10 - HD2 LYS 26 - HE3 LYS 19 lone 5 57 - 9 - HD3 LYS 26 - HE2 LYS 36 lone 5 95 - 5 - HD2 LYS 26 - HE2 LYS 36 lone 5 95 - 5 - HD3 LYS 26 - HE3 LYS 36 lone 5 95 - 5 - HD2 LYS 26 - HE3 LYS 36 lone 5 95 - 5 - HD3 LYS 86 - HE2 LYS 31 lone 4 57 - 7 - HD2 LYS 86 - HE2 LYS 31 lone 4 57 - 7 - HD2 LYS 86 - HE3 LYS 19 lone 4 57 - 7 - HD3 LYS 86 - HE3 LYS 19 lone 4 57 - 7 - QB ALA 88 - HE3 LYS 86 lone 3 99 - 4 - HD3 LYS 26 - HE3 LYS 86 lone 3 100 - 3 - HD2 LYS 26 - HE3 LYS 86 lone 3 100 - 3 - HB2 LEU 123 - HE2 LYS 36 lone 3 58 - 6 - 1.8/1053=1 HB2 LEU 123 - HE3 LYS 36 lone 3 58 - 5 - 1.8/1064=1 HB2 LEU 123 - HE2 LYS 19 lone 3 64 - 4 - HD3 LYS 95 - HE2 LYS 31 lone 2 57 - 3 - HB2 LEU 123 - HE3 LYS 19 lone 1 31 - 4 - HD2 LYS 95 - HE2 LYS 31 lone 1 48 - 2 - HD3 LYS 95 - HE3 LYS 24 lone 1 96 - 1 - HD3 LYS 95 - HE3 LYS 86 lone 1 100 - 1 - HD2 LYS 95 - HE3 LYS 24 lone 1 84 - 1 - HD2 LYS 95 - HE3 LYS 86 lone 1 92 - 1 - HD3 LYS 95 - HE2 LYS 24 lone 1 73 - 1 - HB2 LEU 98 - HE2 LYS 19 lone 1 79 - 1 - HD2 LYS 95 - HE2 LYS 24 lone 1 62 - 1 - QB ALA 88 - HE3 LYS 24 lone 0 94 - 1 - HB2 LEU 98 - HE3 LYS 86 lone 0 81 - 1 - HB2 LEU 98 - HE3 LYS 24 lone 0 73 - 1 - HB2 LEU 123 - HE3 LYS 86 lone 0 65 - 1 - HD3 LYS 95 - HE3 LYS 36 lone 0 96 - 0 - HD3 LYS 95 - HE2 LYS 36 lone 0 96 - 0 - HD3 LYS 95 - HE2 LYS 19 lone 0 99 - 0 - QB ALA 88 - HE3 LYS 36 lone 0 94 - 0 - QB ALA 88 - HE2 LYS 36 lone 0 94 - 0 - HD2 LYS 95 - HE2 LYS 19 lone 0 90 - 0 - HD2 LYS 95 - HE3 LYS 36 lone 0 84 - 0 - HD2 LYS 95 - HE2 LYS 36 lone 0 84 - 0 - QB ALA 88 - HE2 LYS 24 lone 0 71 - 0 - HB2 LEU 123 - HE3 LYS 24 lone 0 58 - 1 - HB2 LEU 98 - HE2 LYS 24 lone 0 52 - 1 - HB2 LEU 98 - HE2 LYS 31 lone 0 39 - 1 - QB ALA 88 - HE2 LYS 19 lone 0 98 - 0 - HB2 LEU 98 - HE3 LYS 19 lone 0 39 - 1 - HB2 LEU 123 - HE2 LYS 24 lone 0 41 - 1 - QB ALA 88 - HE2 LYS 31 lone 0 56 - 0 - HD3 LYS 95 - HE3 LYS 19 lone 0 57 - 0 - HD2 LYS 95 - HE3 LYS 19 lone 0 48 - 0 - HB2 LEU 98 - HE2 LYS 36 lone 0 73 - 0 - HB2 LEU 98 - HE3 LYS 36 lone 0 73 - 0 - QB ALA 88 - HE3 LYS 19 lone 0 56 - 0 - HB2 LEU 123 - HE2 LYS 31 lone 0 31 - 0 - Peak 2710 from cnoeabs.peaks (1.66, 2.96, 41.80 ppm; 2.50 A): 6 out of 104 assignments used, quality = 1.00: HD2 LYS 86 + HE3 LYS 86 OK 68 100 - 68 - 3.0=60, 3.0/2707=6...(7) * HD3 LYS 86 + HE3 LYS 86 OK 68 100 - 68 - 3.0=60, 3.0/2707=6...(7) HD3 LYS 24 + HE3 LYS 24 OK 67 95 - 70 - 3.0=59, 553/1.8=3...(10) HD2 LYS 24 + HE3 LYS 24 OK 66 94 - 70 - 3.0=59, 542/1.8=3...(10) HD3 LYS 24 + HE2 LYS 24 OK 52 73 - 72 - 3.0=59, 3.0/520=3...(9) HD2 LYS 24 + HE2 LYS 24 OK 51 71 - 72 - 3.0=59, 3.0/520=3...(9) HD3 LYS 31 - HE2 LYS 31 OK 42 57 - 74 - 3.0=58, 839/3.7=3...(10) HD2 LYS 31 - HE2 LYS 31 OK 41 56 - 74 - 3.0=58, 839/3.7=3...(10) HD3 LYS 31 - HE2 LYS 19 OK 18 99 - 18 - 553=1, 2.9/319=1 HD2 LYS 31 - HE2 LYS 19 OK 18 98 - 18 - 542=1, 2.9/319=1 HD3 LYS 31 - HE3 LYS 24 OK 18 95 - 19 - 2.9/840=1 HD2 LYS 31 - HE3 LYS 24 OK 18 94 - 19 - 2.9/840=1 HD3 LYS 24 - HE2 LYS 19 OK 17 99 - 17 - 3.0/520=2, 3.0/319=1, 553=1 HD2 LYS 24 - HE2 LYS 19 OK 17 98 - 17 - 3.0/520=2, 3.0/319=1, 542=1 HD2 LYS 86 - HE3 LYS 24 OK 16 96 - 17 - 3.0/2707=2, 3.0/2668=2...(8) HD3 LYS 86 - HE3 LYS 24 OK 16 96 - 17 - 3.0/2707=2, 3.0/2668=2...(8) HD3 LYS 86 - HE3 LYS 36 OK 16 96 - 17 - 3.0/2707=2, 3.0/2668=1...(7) HD2 LYS 86 - HE3 LYS 36 OK 16 96 - 17 - 3.0/2707=2, 3.0/2668=1...(7) HD2 LYS 86 - HE2 LYS 36 OK 16 96 - 17 - 3.0/2707=2, 3.0/2668=1...(7) HD3 LYS 86 - HE2 LYS 36 OK 16 96 - 17 - 3.0/2707=2, 3.0/2668=1...(7) HD3 LYS 31 - HE2 LYS 24 OK 16 73 - 22 - 553=1 HD2 LYS 31 - HE2 LYS 24 OK 15 71 - 22 - 542=1 HD3 LYS 86 - HE2 LYS 24 OK 12 73 - 17 - 3.0/2707=2, 3.0/2668=1...(7) HD2 LYS 86 - HE2 LYS 24 OK 12 73 - 17 - 3.0/2707=2, 3.0/2668=1...(7) HD3 LYS 26 - HE3 LYS 24 OK 12 95 - 13 - HD2 LYS 26 - HE3 LYS 24 OK 12 95 - 13 - HD3 LYS 26 - HE2 LYS 19 OK 12 99 - 12 - HD3 LYS 26 - HE2 LYS 31 OK 11 57 - 20 - 839/3.7=2, 828/3.7=1, 2.9/634=1 HD2 LYS 26 - HE2 LYS 31 OK 11 57 - 20 - 839/3.7=2, 828/3.7=1, 2.9/635=1 HD2 LYS 26 - HE2 LYS 19 OK 11 99 - 11 - HD3 LYS 26 - HE2 LYS 24 OK 10 73 - 15 - HD2 LYS 26 - HE2 LYS 24 OK 10 73 - 14 - HD3 LYS 24 - HE2 LYS 36 OK 10 95 - 11 - 3.0/520=1 HD2 LYS 24 - HE2 LYS 36 poor 10 94 - 11 - 3.0/520=1 HD3 LYS 24 - HE3 LYS 36 poor 10 95 - 10 - HD2 LYS 24 - HE3 LYS 36 poor 10 94 - 10 - HD3 LYS 31 - HE3 LYS 19 poor 9 57 - 16 - HD3 LYS 31 - HE2 LYS 36 lone 9 95 - 9 - HD2 LYS 31 - HE2 LYS 36 lone 9 94 - 9 - HD2 LYS 31 - HE3 LYS 19 poor 9 56 - 16 - HD3 LYS 24 - HE3 LYS 19 poor 9 57 - 16 - HD2 LYS 24 - HE3 LYS 19 poor 9 56 - 16 - HD3 LYS 24 - HE2 LYS 31 poor 9 57 - 15 - 839/3.7=1, 828/3.7=1 HD3 LYS 24 - HE3 LYS 86 lone 9 100 - 9 - 2698/1.8=1 HD2 LYS 24 - HE3 LYS 86 lone 8 99 - 9 - 2698/1.8=1 HD3 LYS 31 - HE3 LYS 36 lone 8 95 - 9 - HD2 LYS 24 - HE2 LYS 31 poor 8 56 - 15 - 839/3.7=1, 828/3.7=1 HD2 LYS 31 - HE3 LYS 36 lone 8 94 - 9 - HD3 LYS 86 - HE2 LYS 19 lone 7 99 - 7 - HD2 LYS 86 - HE2 LYS 19 lone 7 99 - 7 - HD3 LYS 31 - HE3 LYS 86 lone 6 100 - 6 - HD2 LYS 31 - HE3 LYS 86 lone 6 99 - 6 - HD3 LYS 26 - HE3 LYS 19 lone 5 57 - 10 - HD2 LYS 26 - HE3 LYS 19 lone 5 57 - 9 - HD3 LYS 26 - HE2 LYS 36 lone 5 95 - 5 - HD2 LYS 26 - HE2 LYS 36 lone 5 95 - 5 - HD3 LYS 26 - HE3 LYS 36 lone 5 95 - 5 - HD2 LYS 26 - HE3 LYS 36 lone 5 95 - 5 - HD3 LYS 86 - HE2 LYS 31 lone 4 57 - 7 - HD2 LYS 86 - HE2 LYS 31 lone 4 57 - 7 - HD2 LYS 86 - HE3 LYS 19 lone 4 57 - 7 - HD3 LYS 86 - HE3 LYS 19 lone 4 57 - 7 - QB ALA 88 - HE3 LYS 86 lone 3 99 - 4 - HD3 LYS 26 - HE3 LYS 86 lone 3 100 - 3 - HD2 LYS 26 - HE3 LYS 86 lone 3 100 - 3 - HB2 LEU 123 - HE2 LYS 36 lone 3 58 - 6 - 1.8/1053=1 HB2 LEU 123 - HE3 LYS 36 lone 3 58 - 5 - 1.8/1064=1 HB2 LEU 123 - HE2 LYS 19 lone 3 64 - 4 - HD3 LYS 95 - HE2 LYS 31 lone 2 57 - 3 - HB2 LEU 123 - HE3 LYS 19 lone 1 31 - 4 - HD2 LYS 95 - HE2 LYS 31 lone 1 48 - 2 - HD3 LYS 95 - HE3 LYS 24 lone 1 96 - 1 - HD3 LYS 95 - HE3 LYS 86 lone 1 100 - 1 - HD2 LYS 95 - HE3 LYS 24 lone 1 84 - 1 - HD2 LYS 95 - HE3 LYS 86 lone 1 92 - 1 - HD3 LYS 95 - HE2 LYS 24 lone 1 73 - 1 - HB2 LEU 98 - HE2 LYS 19 lone 1 79 - 1 - HD2 LYS 95 - HE2 LYS 24 lone 1 62 - 1 - QB ALA 88 - HE3 LYS 24 lone 0 94 - 1 - HB2 LEU 98 - HE3 LYS 86 lone 0 81 - 1 - HB2 LEU 98 - HE3 LYS 24 lone 0 73 - 1 - HB2 LEU 123 - HE3 LYS 86 lone 0 65 - 1 - HD3 LYS 95 - HE3 LYS 36 lone 0 96 - 0 - HD3 LYS 95 - HE2 LYS 36 lone 0 96 - 0 - HD3 LYS 95 - HE2 LYS 19 lone 0 99 - 0 - QB ALA 88 - HE3 LYS 36 lone 0 94 - 0 - QB ALA 88 - HE2 LYS 36 lone 0 94 - 0 - HD2 LYS 95 - HE2 LYS 19 lone 0 90 - 0 - HD2 LYS 95 - HE3 LYS 36 lone 0 84 - 0 - HD2 LYS 95 - HE2 LYS 36 lone 0 84 - 0 - QB ALA 88 - HE2 LYS 24 lone 0 71 - 0 - HB2 LEU 123 - HE3 LYS 24 lone 0 58 - 1 - HB2 LEU 98 - HE2 LYS 24 lone 0 52 - 1 - HB2 LEU 98 - HE2 LYS 31 lone 0 39 - 1 - QB ALA 88 - HE2 LYS 19 lone 0 98 - 0 - HB2 LEU 98 - HE3 LYS 19 lone 0 39 - 1 - HB2 LEU 123 - HE2 LYS 24 lone 0 41 - 1 - QB ALA 88 - HE2 LYS 31 lone 0 56 - 0 - HD3 LYS 95 - HE3 LYS 19 lone 0 57 - 0 - HD2 LYS 95 - HE3 LYS 19 lone 0 48 - 0 - HB2 LEU 98 - HE2 LYS 36 lone 0 73 - 0 - HB2 LEU 98 - HE3 LYS 36 lone 0 73 - 0 - QB ALA 88 - HE3 LYS 19 lone 0 56 - 0 - HB2 LEU 123 - HE2 LYS 31 lone 0 31 - 0 - Peak 2711 from cnoeabs.peaks (3.07, 2.96, 41.80 ppm; 3.48 A): 1 out of 16 assignments used, quality = 1.00: * HE2 LYS 86 + HE3 LYS 86 OK 100 100 - 100 - 1.8=100 HE2 LYS 86 - HE3 LYS 24 OK 24 96 - 25 - 2701=4, 3.7/2707=3...(10) HE2 LYS 86 - HE3 LYS 36 OK 24 96 - 25 - 2701=4, 2701/1.8=3...(9) HE2 LYS 86 - HE2 LYS 36 OK 23 96 - 24 - 2701=4, 2701/1.8=3...(9) HE2 LYS 86 - HE2 LYS 24 OK 17 73 - 24 - 2701/1.8=3, 2701=3...(10) HE2 LYS 86 - HE2 LYS 19 OK 11 99 - 11 - 2701=2, 3.7/2707=1...(4) HB3 HIS 5 - HE3 LYS 86 lone 9 99 - 8 - 2656/3.7=2, 2667/3.7=2...(5) HE2 LYS 86 - HE2 LYS 31 poor 8 57 - 13 - 2701=2, 2699/3.0=1...(6) HE2 LYS 86 - HE3 LYS 19 lone 6 57 - 10 - 2701/1.8=1, 2701=1...(4) HB3 HIS 5 - HE3 LYS 24 lone 1 94 - 1 - HB3 HIS 5 - HE3 LYS 36 lone 1 94 - 1 - HB3 HIS 5 - HE2 LYS 36 lone 1 94 - 1 - HB3 HIS 5 - HE2 LYS 19 lone 1 98 - 1 - HB3 HIS 5 - HE2 LYS 24 lone 0 71 - 1 - HB3 HIS 5 - HE2 LYS 31 lone 0 56 - 1 - HB3 HIS 5 - HE3 LYS 19 lone 0 56 - 1 - Peak 2712 from cnoeabs.peaks (2.96, 2.96, 41.80 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: * HE3 LYS 86 + HE3 LYS 86 OK 100 100 - 100 HE2 LYS 19 + HE2 LYS 19 OK 99 99 - 100 HE2 LYS 36 + HE2 LYS 36 OK 94 94 - 100 HE3 LYS 36 + HE3 LYS 36 OK 94 94 - 100 HE3 LYS 24 + HE3 LYS 24 OK 94 94 - 100 HE2 LYS 24 + HE2 LYS 24 OK 66 66 - 100 HE3 LYS 19 + HE3 LYS 19 OK 48 48 - 100 HE2 LYS 31 + HE2 LYS 31 OK 48 48 - 100 Peak 2714 from cnoeabs.peaks (8.12, 4.26, 61.26 ppm; 4.01 A): 1 out of 3 assignments used, quality = 1.00: * H PHE 87 + HA PHE 87 OK 100 100 - 100 - 2.9=100 H GLU 91 - HA PHE 87 OK 34 65 - 52 - 4.0/2722=14, 4.4/2804=14...(11) H ASN 121 - HA PHE 87 OK 13 92 - 13 - 2620/4.9=3, 7177/3.6=3...(6) Peak 2715 from cnoeabs.peaks (4.26, 4.26, 61.26 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PHE 87 + HA PHE 87 OK 100 100 - 100 Peak 2716 from cnoeabs.peaks (3.23, 4.26, 61.26 ppm; 3.43 A): 2 out of 5 assignments used, quality = 1.00: * HB2 PHE 87 + HA PHE 87 OK 100 100 - 100 - 3.0=100 HB3 PHE 87 + HA PHE 87 OK 96 96 - 100 - 3.0=100 HD3 ARG 135 - HA PHE 87 OK 27 96 - 29 - 10623/2.9=7, 4352/3.7=5...(9) HB3 HIS 4 - HA PHE 87 lone 2 99 - 1 - HB2 HIS 5 - HA PHE 87 lone 1 99 - 1 - Peak 2717 from cnoeabs.peaks (3.23, 4.26, 61.26 ppm; 3.43 A): 2 out of 5 assignments used, quality = 1.00: * HB3 PHE 87 + HA PHE 87 OK 100 100 - 100 - 3.0=100 HB2 PHE 87 + HA PHE 87 OK 96 96 - 100 - 3.0=100 HD3 ARG 135 - HA PHE 87 OK 30 100 - 30 - 10623/2.9=8, 4352/3.7=5...(9) HB3 HIS 4 - HA PHE 87 lone 2 99 - 1 - HB2 HIS 5 - HA PHE 87 lone 1 99 - 1 - Peak 2718 from cnoeabs.peaks (7.32, 4.26, 61.26 ppm; 4.19 A): 1 out of 2 assignments used, quality = 1.00: * QD PHE 87 + HA PHE 87 OK 100 100 - 100 - 3.7=100 H ARG 135 - HA PHE 87 OK 27 92 - 30 - 7167/2.9=6, 7181/3.6=6...(8) Peak 2719 from cnoeabs.peaks (7.27, 4.26, 61.26 ppm; 4.45 A): 2 out of 3 assignments used, quality = 0.90: * QE PHE 87 + HA PHE 87 OK 78 100 - 78 - 5.6=50, ~7167=18...(6) H ASN 85 + HA PHE 87 OK 56 99 - 57 - 7115/2.9=19, 7182/3.6=14...(8) HD2 HIS 10 - HA PHE 87 lone 4 81 - 4 - 7152/2.9=1 Peak 2721 from cnoeabs.peaks (7.86, 4.26, 61.26 ppm; 4.63 A): 1 out of 3 assignments used, quality = 1.00: * H ALA 88 + HA PHE 87 OK 100 100 - 100 - 3.6=100 H GLN 68 - HA PHE 87 lone 8 87 - 9 - 7170/2.9=4, 2743/4.9=2 H GLU 102 - HA PHE 87 lone 8 81 - 10 - 2743/4.9=4, 7170/2.9=3 Peak 2722 from cnoeabs.peaks (8.56, 4.26, 61.26 ppm; 5.08 A): 2 out of 2 assignments used, quality = 0.88: * H ARG 90 + HA PHE 87 OK 84 100 - 85 - 7206=33, 7207/3.6=26...(11) H GLY 114 + HA PHE 87 OK 22 99 - 22 - 7187/3.6=6, 2805/2804=4...(7) Peak 2723 from cnoeabs.peaks (1.91, 4.26, 61.26 ppm; 4.67 A): 3 out of 5 assignments used, quality = 0.88: * HB2 ARG 90 + HA PHE 87 OK 76 100 - 76 - 1.8/2804=30, 2794=25...(11) HB3 ARG 84 + HA PHE 87 OK 40 65 - 62 - ~7151=19, ~2530=16...(11) HB2 PRO 113 + HA PHE 87 OK 16 98 - 16 - 3.9/2722=5, 3601/2722=3...(5) HB3 LEU 49 - HA PHE 87 lone 4 98 - 4 - 2807/2804=1 HB3 LEU 123 - HA PHE 87 lone 3 51 - 5 - 1.8/9841=2 Peak 2724 from cnoeabs.peaks (1.95, 4.26, 61.26 ppm; 4.02 A): 2 out of 5 assignments used, quality = 0.84: * HB3 ARG 90 + HA PHE 87 OK 66 100 - 66 - 2804=29, 1.8/2723=16...(11) HB3 LYS 86 + HA PHE 87 OK 53 96 - 56 - 7157/2.9=17, ~2635=15...(8) HB2 GLU 30 - HA PHE 87 lone 8 92 - 8 - 7157/2.9=3, 2613/4.9=2 HB2 PRO 58 - HA PHE 87 lone 7 99 - 8 - 7157/2.9=2, 2613/4.9=2...(4) HB3 PRO 81 - HA PHE 87 lone 1 87 - 1 - Peak 2725 from cnoeabs.peaks (4.25, 3.23, 38.18 ppm; 3.29 A): 2 out of 8 assignments used, quality = 0.64: * HA ARG 84 + HB2 PHE 87 OK 47 100 - 47 - 7151/4.0=16, 7173/4.5=13...(9) HA ARG 84 + HB3 PHE 87 OK 33 73 - 45 - 7151/4.0=16, 7173/4.5=13...(8) HA GLN 27 - HB2 PHE 87 lone 3 96 - 3 - 7151/4.0=1, 7173/4.5=1 HA GLN 27 - HB3 PHE 87 lone 2 66 - 3 - 7151/4.0=1, 7173/4.5=1 HA SER 124 - HB2 PHE 87 lone 1 81 - 2 - HA SER 124 - HB3 PHE 87 lone 1 52 - 1 - HA ALA 28 - HB2 PHE 87 lone 0 57 - 1 - HA ALA 28 - HB3 PHE 87 lone 0 35 - 1 - Peak 2726 from cnoeabs.peaks (8.12, 3.23, 38.18 ppm; 3.42 A): 2 out of 6 assignments used, quality = 0.94: * H PHE 87 + HB2 PHE 87 OK 84 100 - 84 - 4.0=64, 7167/2.5=19...(9) H PHE 87 + HB3 PHE 87 OK 61 73 - 83 - 4.0=64, 7167/2.5=19...(8) H GLU 91 - HB2 PHE 87 poor 7 65 - 11 - 2714/3.0=5, 7177/4.5=3 H ASN 121 - HB2 PHE 87 lone 5 92 - 6 - 2714/3.0=2, 7177/4.5=1 H GLU 91 - HB3 PHE 87 poor 5 41 - 11 - 2714/3.0=5, 7177/4.5=3 H ASN 121 - HB3 PHE 87 lone 3 62 - 5 - 2714/3.0=2, 7177/4.5=1 Peak 2727 from cnoeabs.peaks (4.26, 3.23, 38.18 ppm; 3.31 A): 2 out of 10 assignments used, quality = 1.00: * HA PHE 87 + HB2 PHE 87 OK 100 100 - 100 - 3.0=100 HA PHE 87 + HB3 PHE 87 OK 73 73 - 100 - 3.0=100 HA LYS 19 - HB2 PHE 87 lone 8 99 - 8 - 5522/2.5=2, 7164/4.0=1...(5) HA LYS 19 - HB3 PHE 87 lone 5 71 - 8 - 5522/2.5=2, 7164/4.0=1 HA LYS 26 - HB2 PHE 87 lone 3 96 - 3 - HA LYS 26 - HB3 PHE 87 lone 2 66 - 3 - HB THR 115 - HB2 PHE 87 lone 1 65 - 1 - HA LYS 36 - HB2 PHE 87 lone 1 57 - 1 - HB THR 115 - HB3 PHE 87 lone 0 41 - 1 - HA LYS 36 - HB3 PHE 87 lone 0 35 - 1 - Peak 2728 from cnoeabs.peaks (3.23, 3.23, 38.18 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 PHE 87 + HB2 PHE 87 OK 100 100 - 100 HB3 PHE 87 + HB3 PHE 87 OK 66 66 - 100 Peak 2729 from cnoeabs.peaks (3.23, 3.23, 38.18 ppm; diagonal): 2 out of 2 assignments used, quality = 0.99: HB2 PHE 87 + HB2 PHE 87 OK 96 96 - 100 HB3 PHE 87 + HB3 PHE 87 OK 73 73 - 100 Reference assignment not found: HB3 PHE 87 - HB2 PHE 87 Peak 2730 from cnoeabs.peaks (7.32, 3.23, 38.18 ppm; 3.62 A): 2 out of 4 assignments used, quality = 1.00: * QD PHE 87 + HB2 PHE 87 OK 100 100 - 100 - 2.5=100 QD PHE 87 + HB3 PHE 87 OK 73 73 - 100 - 2.5=100 H ARG 135 - HB2 PHE 87 OK 40 92 - 43 - 7986/1.8=5, 2718/3.0=5...(15) H ARG 135 - HB3 PHE 87 OK 27 62 - 44 - 7986=5, 7986/1.8=5...(15) Peak 2731 from cnoeabs.peaks (7.27, 3.23, 38.18 ppm; 3.84 A): 3 out of 6 assignments used, quality = 0.94: * QE PHE 87 + HB2 PHE 87 OK 75 100 - 75 - 4.4=65, 2719/3.0=13...(5) QE PHE 87 + HB3 PHE 87 OK 55 73 - 75 - 4.4=65, 2719/3.0=13...(5) H ASN 85 + HB2 PHE 87 OK 48 99 - 49 - 3.6/2725=15, 7115/4.0=12...(8) H ASN 85 - HB3 PHE 87 OK 32 71 - 44 - 7115/4.0=12, 3.6/2725=11...(8) HD2 HIS 10 - HB2 PHE 87 lone 3 81 - 3 - HD2 HIS 10 - HB3 PHE 87 lone 2 52 - 3 - Peak 2733 from cnoeabs.peaks (7.86, 3.23, 38.18 ppm; 3.67 A): 2 out of 6 assignments used, quality = 0.93: * H ALA 88 + HB2 PHE 87 OK 82 100 - 82 - 4.5=53, 7170/4.0=19...(10) H ALA 88 + HB3 PHE 87 OK 60 73 - 82 - 4.5=53, 7170/4.0=19...(10) H GLN 68 - HB2 PHE 87 lone 4 87 - 5 - 7170/4.0=2, 2721/3.0=1 H GLU 102 - HB2 PHE 87 lone 3 81 - 4 - 7170/4.0=1, 2721/3.0=1 H GLN 68 - HB3 PHE 87 lone 3 57 - 4 - 7170/4.0=2, 2721/3.0=1 H GLU 102 - HB3 PHE 87 lone 2 52 - 4 - 7170/4.0=1, 2721/3.0=1 Peak 2734 from cnoeabs.peaks (4.25, 3.23, 38.18 ppm; 3.29 A): 2 out of 8 assignments used, quality = 0.64: * HA ARG 84 + HB3 PHE 87 OK 46 100 - 46 - 7151/4.0=16, 7173/4.5=13...(8) HA ARG 84 + HB2 PHE 87 OK 33 73 - 45 - 7151/4.0=16, 7173/4.5=13...(8) HA GLN 27 - HB3 PHE 87 lone 3 96 - 3 - 7151/4.0=1, 7173/4.5=1 HA GLN 27 - HB2 PHE 87 lone 2 66 - 3 - 7151/4.0=1, 7173/4.5=1 HA SER 124 - HB3 PHE 87 lone 1 81 - 2 - HA SER 124 - HB2 PHE 87 lone 1 52 - 1 - HA ALA 28 - HB3 PHE 87 lone 0 57 - 1 - HA ALA 28 - HB2 PHE 87 lone 0 35 - 1 - Peak 2735 from cnoeabs.peaks (8.12, 3.23, 38.18 ppm; 3.42 A): 2 out of 6 assignments used, quality = 0.94: * H PHE 87 + HB3 PHE 87 OK 84 100 - 84 - 4.0=64, 7167/2.5=19...(8) H PHE 87 + HB2 PHE 87 OK 61 73 - 83 - 4.0=64, 7167/2.5=19...(8) H GLU 91 - HB3 PHE 87 poor 8 65 - 12 - 2714/3.0=5, 7177/4.5=3 H ASN 121 - HB3 PHE 87 lone 5 92 - 6 - 2714/3.0=2, 7177/4.5=1 H GLU 91 - HB2 PHE 87 poor 5 41 - 11 - 2714/3.0=5, 7177/4.5=3 H ASN 121 - HB2 PHE 87 lone 3 62 - 5 - 2714/3.0=2, 7177/4.5=1 Peak 2736 from cnoeabs.peaks (4.26, 3.23, 38.18 ppm; 3.31 A): 2 out of 10 assignments used, quality = 1.00: * HA PHE 87 + HB3 PHE 87 OK 100 100 - 100 - 3.0=100 HA PHE 87 + HB2 PHE 87 OK 73 73 - 100 - 3.0=100 HA LYS 19 - HB3 PHE 87 lone 7 99 - 7 - 5522/2.5=2, 7164/4.0=1 HA LYS 19 - HB2 PHE 87 lone 5 71 - 7 - 5522/2.5=2, 7164/4.0=1 HA LYS 26 - HB3 PHE 87 lone 3 96 - 3 - HA LYS 26 - HB2 PHE 87 lone 2 66 - 3 - HB THR 115 - HB3 PHE 87 lone 1 65 - 1 - HA LYS 36 - HB3 PHE 87 lone 1 57 - 1 - HB THR 115 - HB2 PHE 87 lone 0 41 - 1 - HA LYS 36 - HB2 PHE 87 lone 0 35 - 1 - Peak 2737 from cnoeabs.peaks (3.23, 3.23, 38.18 ppm; diagonal): 2 out of 2 assignments used, quality = 0.99: HB3 PHE 87 + HB3 PHE 87 OK 96 96 - 100 HB2 PHE 87 + HB2 PHE 87 OK 73 73 - 100 Reference assignment not found: HB2 PHE 87 - HB3 PHE 87 Peak 2738 from cnoeabs.peaks (3.23, 3.23, 38.18 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 PHE 87 + HB3 PHE 87 OK 100 100 - 100 HB2 PHE 87 + HB2 PHE 87 OK 66 66 - 100 Peak 2739 from cnoeabs.peaks (7.32, 3.23, 38.18 ppm; 3.62 A): 2 out of 4 assignments used, quality = 1.00: * QD PHE 87 + HB3 PHE 87 OK 100 100 - 100 - 2.5=100 QD PHE 87 + HB2 PHE 87 OK 73 73 - 100 - 2.5=100 H ARG 135 - HB3 PHE 87 OK 42 92 - 46 - 7986=6, 3.0/4311=5...(16) H ARG 135 - HB2 PHE 87 OK 28 62 - 45 - 7986/1.8=5, 7986=5...(16) Peak 2740 from cnoeabs.peaks (7.27, 3.23, 38.18 ppm; 3.84 A): 3 out of 6 assignments used, quality = 0.94: * QE PHE 87 + HB3 PHE 87 OK 75 100 - 75 - 4.4=65, 2719/3.0=13...(5) QE PHE 87 + HB2 PHE 87 OK 55 73 - 75 - 4.4=65, 2719/3.0=13...(5) H ASN 85 + HB3 PHE 87 OK 47 99 - 48 - 3.6/2734=15, 7115/4.0=12...(8) H ASN 85 - HB2 PHE 87 OK 32 71 - 45 - 7115/4.0=12, 3.6/2734=11...(8) HD2 HIS 10 - HB3 PHE 87 lone 3 81 - 3 - HD2 HIS 10 - HB2 PHE 87 lone 2 52 - 3 - Peak 2742 from cnoeabs.peaks (7.86, 3.23, 38.18 ppm; 3.67 A): 2 out of 6 assignments used, quality = 0.93: * H ALA 88 + HB3 PHE 87 OK 83 100 - 83 - 4.5=53, 7170/4.0=19...(10) H ALA 88 + HB2 PHE 87 OK 60 73 - 82 - 4.5=53, 7170/4.0=19...(10) H GLN 68 - HB3 PHE 87 lone 4 87 - 4 - 7170/4.0=2, 2721/3.0=1 H GLU 102 - HB3 PHE 87 lone 3 81 - 4 - 7170/4.0=1, 2721/3.0=1 H GLN 68 - HB2 PHE 87 lone 3 57 - 4 - 7170/4.0=2, 2721/3.0=1 H GLU 102 - HB2 PHE 87 lone 2 52 - 4 - 7170/4.0=1, 2721/3.0=1 Peak 2743 from cnoeabs.peaks (7.86, 4.20, 54.89 ppm; 3.89 A): 1 out of 3 assignments used, quality = 1.00: * H ALA 88 + HA ALA 88 OK 100 100 - 100 - 2.9=100 H GLU 102 - HA ALA 88 OK 22 81 - 27 - 5.0/11411=10...(8) H GLN 68 - HA ALA 88 OK 12 87 - 14 - 3.7/11820=5, ~2118=3...(5) Peak 2744 from cnoeabs.peaks (4.20, 4.20, 54.89 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 88 + HA ALA 88 OK 100 100 - 100 Peak 2745 from cnoeabs.peaks (1.66, 4.20, 54.89 ppm; 3.20 A): 1 out of 15 assignments used, quality = 1.00: * QB ALA 88 + HA ALA 88 OK 100 100 - 100 - 2.1=100 HD2 LYS 86 - HA ALA 88 lone 9 99 - 9 - 7185/2.9=3, 7195/3.6=2, ~7185=1 HD3 LYS 86 - HA ALA 88 lone 9 99 - 9 - 7185/2.9=3, 7195/3.6=2, ~7185=1 HD2 LYS 26 - HA ALA 88 lone 3 100 - 2 - HD3 LYS 26 - HA ALA 88 lone 2 98 - 2 - HB2 LEU 69 - HA ALA 88 lone 2 73 - 2 - HD2 LYS 31 - HA ALA 88 lone 2 100 - 2 - HB2 LEU 98 - HA ALA 88 lone 2 65 - 2 - HD3 LYS 31 - HA ALA 88 lone 2 100 - 2 - HD2 LYS 24 - HA ALA 88 lone 1 100 - 1 - HD3 LYS 24 - HA ALA 88 lone 1 100 - 1 - HD3 LYS 95 - HA ALA 88 lone 1 99 - 1 - HD2 LYS 95 - HA ALA 88 lone 1 81 - 1 - HD2 LYS 36 - HA ALA 88 lone 1 65 - 1 - HD3 LYS 36 - HA ALA 88 lone 1 65 - 1 - Peak 2746 from cnoeabs.peaks (8.69, 4.20, 54.89 ppm; 4.92 A): 1 out of 3 assignments used, quality = 1.00: * H PHE 89 + HA ALA 88 OK 100 100 - 100 - 3.6=100 H LYS 39 - HA ALA 88 OK 23 100 - 23 - 2754/2.1=8, 7186/2.9=7...(5) H HIS 7 - HA ALA 88 lone 2 73 - 3 - Peak 2747 from cnoeabs.peaks (8.13, 4.20, 54.89 ppm; 4.43 A): 3 out of 3 assignments used, quality = 0.91: * H GLU 91 + HA ALA 88 OK 85 100 - 85 - 7227=36, 4.0/2749=20...(11) H PHE 87 + HA ALA 88 OK 31 65 - 47 - 7177/2.9=18, 4.2/9849=13...(6) H ASN 121 + HA ALA 88 OK 15 96 - 16 - 7203/3.6=4, 7177/2.9=2...(7) Peak 2748 from cnoeabs.peaks (1.99, 4.20, 54.89 ppm; 4.21 A): 3 out of 7 assignments used, quality = 0.88: * HB2 GLU 91 + HA ALA 88 OK 81 100 - 81 - 2860=32, 1.8/2749=28...(7) HG2 PRO 81 + HA ALA 88 OK 31 96 - 32 - ~9854=18, 9865/2.1=10 HB2 GLU 55 + HA ALA 88 OK 11 96 - 12 - 1.8/2749=2, 2871/2749=2...(7) HB3 LEU 53 - HA ALA 88 lone 5 100 - 5 - HB ILE 129 - HA ALA 88 lone 5 73 - 6 - 7252/7246=2, 9865/2.1=1 HB3 PRO 56 - HA ALA 88 lone 2 87 - 2 - HB VAL 20 - HA ALA 88 lone 2 81 - 2 - Peak 2749 from cnoeabs.peaks (2.03, 4.20, 54.89 ppm; 4.24 A): 2 out of 7 assignments used, quality = 0.79: * HB3 GLU 91 + HA ALA 88 OK 76 100 - 76 - 2868=31, 1.8/2860=26...(6) HG3 ARG 135 + HA ALA 88 OK 12 100 - 12 - ~11294=4, ~7180=3, ~7179=2 HB3 GLU 55 - HA ALA 88 lone 6 65 - 9 - 1.8/2748=3, 2864/2860=1...(4) HG2 PRO 58 - HA ALA 88 lone 3 87 - 4 - 7240/7227=1 HB3 GLU 40 - HA ALA 88 lone 3 98 - 2 - QE MET 11 - HA ALA 88 lone 1 73 - 2 - HB2 GLU 44 - HA ALA 88 lone 1 65 - 2 - Peak 2750 from cnoeabs.peaks (4.81, 1.66, 18.14 ppm; 3.48 A): 1 out of 1 assignment used, quality = 0.54: * HA ASN 85 + QB ALA 88 OK 54 100 - 54 - 7174/3.0=23, 7189/3.7=19...(8) Peak 2751 from cnoeabs.peaks (7.86, 1.66, 18.14 ppm; 3.16 A): 1 out of 3 assignments used, quality = 1.00: * H ALA 88 + QB ALA 88 OK 100 100 - 100 - 3.0=100 H GLU 102 - QB ALA 88 OK 13 81 - 17 - 3.5/11293=8, 2743/2.1=4...(5) H GLN 68 - QB ALA 88 lone 6 87 - 7 - 2743/2.1=2, ~2118=2, 7193/3.7=1 Peak 2752 from cnoeabs.peaks (4.20, 1.66, 18.14 ppm; 3.13 A): 1 out of 3 assignments used, quality = 1.00: * HA ALA 88 + QB ALA 88 OK 100 100 - 100 - 2.1=100 HB THR 25 - QB ALA 88 lone 4 99 - 4 - HA GLU 128 - QB ALA 88 lone 4 81 - 5 - 10442/10533=1 Peak 2753 from cnoeabs.peaks (1.66, 1.66, 18.14 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 88 + QB ALA 88 OK 100 100 - 100 Peak 2754 from cnoeabs.peaks (8.69, 1.66, 18.14 ppm; 3.80 A): 1 out of 3 assignments used, quality = 1.00: * H PHE 89 + QB ALA 88 OK 100 100 - 100 - 3.7=100 H LYS 39 - QB ALA 88 OK 21 100 - 21 - 7186/3.0=5, 2746/2.1=4...(7) H HIS 7 - QB ALA 88 lone 2 73 - 2 - Peak 2755 from cnoeabs.peaks (8.69, 4.08, 62.01 ppm; 4.19 A): 1 out of 3 assignments used, quality = 1.00: * H PHE 89 + HA PHE 89 OK 100 100 - 100 - 2.9=100 H LYS 39 - HA PHE 89 OK 32 100 - 32 - 7209/3.6=7, 4.7/9873=6...(7) H HIS 7 - HA PHE 89 lone 2 73 - 3 - Peak 2756 from cnoeabs.peaks (4.08, 4.08, 62.01 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PHE 89 + HA PHE 89 OK 100 100 - 100 Peak 2757 from cnoeabs.peaks (3.31, 4.08, 62.01 ppm; 4.28 A): 1 out of 2 assignments used, quality = 1.00: * HB2 PHE 89 + HA PHE 89 OK 100 100 - 100 - 3.0=100 HB3 CYS 73 - HA PHE 89 OK 20 81 - 25 - 2777/3.0=6, 5535/3.1=4...(6) Peak 2758 from cnoeabs.peaks (3.33, 4.08, 62.01 ppm; 4.28 A): 1 out of 3 assignments used, quality = 1.00: * HB3 PHE 89 + HA PHE 89 OK 100 100 - 100 - 3.0=100 HB3 TYR 72 - HA PHE 89 OK 12 81 - 14 - 2769/3.0=4, 5536/3.1=2...(7) HB2 HIS 67 - HA PHE 89 lone 4 65 - 5 - 7198/2.9=1, 2769/3.0=1 Peak 2759 from cnoeabs.peaks (7.07, 4.08, 62.01 ppm; 4.37 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 89 + HA PHE 89 OK 100 100 - 100 - 3.1=100 Peak 2760 from cnoeabs.peaks (7.40, 4.08, 62.01 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * QE PHE 89 + HA PHE 89 OK 100 100 - 100 - 4.7=100 Peak 2762 from cnoeabs.peaks (8.56, 4.08, 62.01 ppm; 4.83 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 90 + HA PHE 89 OK 100 100 - 100 - 3.6=100 H GLY 114 - HA PHE 89 OK 43 99 - 43 - 2783/4.9=10, 7202/2.9=8...(11) Peak 2763 from cnoeabs.peaks (7.82, 4.08, 62.01 ppm; 4.89 A): 1 out of 1 assignment used, quality = 0.89: * H ALA 92 + HA PHE 89 OK 89 100 - 89 - 7247=39, 3.0/2897=35...(9) Peak 2764 from cnoeabs.peaks (1.43, 4.08, 62.01 ppm; 4.34 A): 3 out of 4 assignments used, quality = 0.77: * QB ALA 92 + HA PHE 89 OK 72 100 - 72 - 2897=38, 3.0/7247=30...(9) HG2 LYS 86 + HA PHE 89 OK 11 65 - 16 - 9866/2.9=7, 9720/9874=4...(4) HG13 ILE 32 + HA PHE 89 OK 10 65 - 16 - ~9880=8, 9893/3.6=6, 9902/7229=1 HG2 LYS 26 - HA PHE 89 lone 8 98 - 8 - 9893/3.6=2, 7257/7247=1 Peak 2765 from cnoeabs.peaks (3.89, 3.31, 39.75 ppm; 6.80 A): 2 out of 7 assignments used, quality = 0.95: * HA LYS 86 + HB2 PHE 89 OK 91 100 - 91 - 2623/1.8=42, 2621/3.5=40...(7) HA2 GLY 114 + HB2 PHE 89 OK 48 92 - 52 - 2.9/2773=13, ~2782=11...(8) HA ALA 46 - HB2 PHE 89 OK 34 73 - 46 - ~9188=36, 2774/1.8=7...(4) HA LEU 70 - HB2 PHE 89 OK 21 87 - 24 - 2774/1.8=5, 7190/3.5=5...(8) HB3 SER 50 - HB2 PHE 89 lone 9 100 - 8 - 2774/1.8=2, 7190/3.5=1...(4) HA2 GLY 2 - HB2 PHE 89 lone 6 87 - 7 - 2774/1.8=1, ~2774=1 HA3 GLY 2 - HB2 PHE 89 lone 6 87 - 7 - 2774/1.8=1, ~2774=1 Peak 2766 from cnoeabs.peaks (8.69, 3.31, 39.75 ppm; 4.98 A): 1 out of 3 assignments used, quality = 1.00: * H PHE 89 + HB2 PHE 89 OK 100 100 - 100 - 3.5=100 H LYS 39 - HB2 PHE 89 OK 36 100 - 36 - 2775/1.8=10, 2755/3.0=9...(8) H HIS 7 - HB2 PHE 89 lone 3 73 - 4 - Peak 2767 from cnoeabs.peaks (4.08, 3.31, 39.75 ppm; 5.17 A): 1 out of 2 assignments used, quality = 1.00: * HA PHE 89 + HB2 PHE 89 OK 100 100 - 100 - 3.0=100 HA GLN 104 - HB2 PHE 89 OK 45 98 - 45 - 2776/1.8=12, 7196/3.5=9...(7) Peak 2768 from cnoeabs.peaks (3.31, 3.31, 39.75 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 89 + HB2 PHE 89 OK 100 100 - 100 Peak 2769 from cnoeabs.peaks (3.33, 3.31, 39.75 ppm; 4.48 A): 1 out of 3 assignments used, quality = 1.00: * HB3 PHE 89 + HB2 PHE 89 OK 100 100 - 100 - 1.8=100 HB3 TYR 72 - HB2 PHE 89 OK 15 81 - 18 - 2758/3.0=3, 5536/2.7=3...(8) HB2 HIS 67 - HB2 PHE 89 lone 4 65 - 6 - 7198/3.5=1, 2758/3.0=1 Peak 2770 from cnoeabs.peaks (7.07, 3.31, 39.75 ppm; 5.39 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 89 + HB2 PHE 89 OK 100 100 - 100 - 2.7=100 Peak 2773 from cnoeabs.peaks (8.56, 3.31, 39.75 ppm; 5.44 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 90 + HB2 PHE 89 OK 100 100 - 100 - 4.4=100 H GLY 114 - HB2 PHE 89 OK 40 99 - 40 - 2762/3.0=12, 2782/1.8=11...(8) Peak 2774 from cnoeabs.peaks (3.89, 3.33, 39.75 ppm; 6.80 A): 2 out of 7 assignments used, quality = 0.96: * HA LYS 86 + HB3 PHE 89 OK 93 100 - 93 - 2623=42, 2621/3.5=40...(9) HA2 GLY 114 + HB3 PHE 89 OK 49 92 - 54 - 2.9/2782=14, ~2773=11...(9) HA ALA 46 - HB3 PHE 89 OK 35 73 - 47 - ~9188=36, 2765/1.8=7...(4) HA LEU 70 - HB3 PHE 89 OK 27 87 - 31 - 3.8/9497=7, 7190/3.5=5...(10) HB3 SER 50 - HB3 PHE 89 OK 10 100 - 10 - 2765/1.8=2, 7190/3.5=1...(5) HA2 GLY 2 - HB3 PHE 89 lone 6 87 - 7 - 2765/1.8=1 HA3 GLY 2 - HB3 PHE 89 lone 6 87 - 7 - 2765/1.8=1 Peak 2775 from cnoeabs.peaks (8.69, 3.33, 39.75 ppm; 4.95 A): 1 out of 3 assignments used, quality = 1.00: * H PHE 89 + HB3 PHE 89 OK 100 100 - 100 - 3.5=100 H LYS 39 - HB3 PHE 89 OK 36 100 - 36 - 2766/1.8=10, 2755/3.0=9...(8) H HIS 7 - HB3 PHE 89 lone 3 73 - 4 - Peak 2776 from cnoeabs.peaks (4.08, 3.33, 39.75 ppm; 5.28 A): 2 out of 2 assignments used, quality = 1.00: * HA PHE 89 + HB3 PHE 89 OK 100 100 - 100 - 3.0=100 HA GLN 104 + HB3 PHE 89 OK 46 98 - 47 - 2767/1.8=13, 7196/3.5=9...(7) Peak 2777 from cnoeabs.peaks (3.31, 3.33, 39.75 ppm; 4.56 A): 1 out of 2 assignments used, quality = 1.00: * HB2 PHE 89 + HB3 PHE 89 OK 100 100 - 100 - 1.8=100 HB3 CYS 73 - HB3 PHE 89 OK 27 81 - 33 - ~2322=6, 2757/3.0=6...(10) Peak 2778 from cnoeabs.peaks (3.33, 3.33, 39.75 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 89 + HB3 PHE 89 OK 100 100 - 100 Peak 2779 from cnoeabs.peaks (7.07, 3.33, 39.75 ppm; 5.45 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 89 + HB3 PHE 89 OK 100 100 - 100 - 2.7=100 Peak 2782 from cnoeabs.peaks (8.56, 3.33, 39.75 ppm; 6.15 A): 2 out of 2 assignments used, quality = 1.00: * H ARG 90 + HB3 PHE 89 OK 100 100 - 100 - 4.4=100 H GLY 114 + HB3 PHE 89 OK 48 99 - 48 - 2762/3.0=14, 2773/1.8=14...(9) Peak 2783 from cnoeabs.peaks (8.56, 3.79, 59.97 ppm; 4.10 A): 2 out of 2 assignments used, quality = 1.00: * H ARG 90 + HA ARG 90 OK 100 100 - 100 - 2.9=100 H GLY 114 + HA ARG 90 OK 55 99 - 56 - 2795/3.0=11, 2805/3.0=10...(15) Peak 2784 from cnoeabs.peaks (3.79, 3.79, 59.97 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ARG 90 + HA ARG 90 OK 100 100 - 100 Peak 2785 from cnoeabs.peaks (1.91, 3.79, 59.97 ppm; 3.74 A): 2 out of 5 assignments used, quality = 1.00: * HB2 ARG 90 + HA ARG 90 OK 100 100 - 100 - 3.0=100 HB2 PRO 113 + HA ARG 90 OK 59 98 - 60 - 7217/2.9=10, 2807/3.0=8...(20) HB3 LEU 49 - HA ARG 90 OK 19 98 - 19 - 2807/3.0=3, 2825/3.8=3...(10) HB3 ARG 84 - HA ARG 90 lone 3 65 - 5 - HB3 LEU 123 - HA ARG 90 lone 1 51 - 2 - Peak 2786 from cnoeabs.peaks (1.95, 3.79, 59.97 ppm; 3.77 A): 2 out of 5 assignments used, quality = 1.00: * HB3 ARG 90 + HA ARG 90 OK 100 100 - 100 - 3.0=100 HB2 PRO 58 + HA ARG 90 OK 52 99 - 52 - 2798/3.0=8, 2817/3.8=7...(18) HB3 LYS 86 - HA ARG 90 OK 42 96 - 44 - 3.0/9897=12, 7218/2.9=6...(13) HB2 GLU 30 - HA ARG 90 OK 38 92 - 41 - 2798/3.0=5, 1.8/2787=5...(16) HB3 PRO 81 - HA ARG 90 lone 6 87 - 7 - 7233/3.6=1 Peak 2787 from cnoeabs.peaks (2.02, 3.79, 59.97 ppm; 3.81 A): 3 out of 7 assignments used, quality = 1.00: * HG2 ARG 90 + HA ARG 90 OK 100 100 - 100 - 3.8=98, 1.8/2788=25...(24) HB2 GLN 134 + HA ARG 90 OK 47 99 - 47 - 2.9/10604=15...(9) HG2 PRO 58 + HA ARG 90 OK 46 96 - 48 - 2809/3.0=9, 2.3/2786=7...(14) HB3 GLU 30 - HA ARG 90 OK 40 98 - 41 - 769/3.0=7, 1.8/2786=6...(16) HB VAL 63 - HA ARG 90 OK 27 100 - 27 - 2.1/9899=9, ~9408=7...(7) HB2 GLU 44 - HA ARG 90 OK 12 100 - 12 - 4288/10604=1...(7) HB3 MET 11 - HA ARG 90 OK 11 100 - 10 - 4.0/11757=3, 2029/9899=1 Peak 2788 from cnoeabs.peaks (1.73, 3.79, 59.97 ppm; 3.75 A): 1 out of 3 assignments used, quality = 0.99: * HG3 ARG 90 + HA ARG 90 OK 99 100 - 99 - 3.8=94, 7220/2.9=18...(23) HB2 LEU 43 - HA ARG 90 OK 28 92 - 30 - 2810/3.0=6, 2800/3.0=6...(9) HB ILE 80 - HA ARG 90 OK 25 92 - 27 - ~11183=6, 7220/2.9=5...(6) Peak 2789 from cnoeabs.peaks (3.17, 3.79, 59.97 ppm; 4.52 A): 2 out of 6 assignments used, quality = 1.00: * HD2 ARG 90 + HA ARG 90 OK 98 100 - 98 - 5.2=66, 3.0/2788=25...(25) HD3 ARG 90 + HA ARG 90 OK 98 99 - 98 - 5.2=66, 3.0/2788=25...(25) HD3 ARG 23 - HA ARG 90 OK 34 98 - 35 - 2802/3.0=4, 2812/3.0=4...(14) HD2 ARG 23 - HA ARG 90 OK 34 98 - 35 - 2802/3.0=4, 2812/3.0=4...(14) HB2 HIS 10 - HA ARG 90 OK 13 98 - 13 - 7236/3.6=4, 4.7/11757=3...(6) HB3 HIS 6 - HA ARG 90 lone 3 87 - 3 - Peak 2790 from cnoeabs.peaks (3.17, 3.79, 59.97 ppm; 4.48 A): 2 out of 6 assignments used, quality = 1.00: * HD3 ARG 90 + HA ARG 90 OK 98 100 - 98 - 5.2=64, 3.0/2788=25...(25) HD2 ARG 90 + HA ARG 90 OK 98 99 - 98 - 5.2=64, 3.0/2788=25...(25) HD3 ARG 23 - HA ARG 90 OK 35 100 - 35 - 2802/3.0=4, 2812/3.0=4...(14) HD2 ARG 23 - HA ARG 90 OK 35 100 - 35 - 2802/3.0=4, 2812/3.0=4...(14) HB2 HIS 10 - HA ARG 90 OK 12 92 - 13 - 7236/3.6=4, 4.7/11757=3...(6) HB3 HIS 6 - HA ARG 90 lone 3 96 - 3 - Peak 2791 from cnoeabs.peaks (8.13, 3.79, 59.97 ppm; 4.71 A): 2 out of 3 assignments used, quality = 1.00: * H GLU 91 + HA ARG 90 OK 100 100 - 100 - 3.6=100 H PHE 87 + HA ARG 90 OK 48 65 - 73 - ~2722=14, ~2804=13...(16) H ASN 121 - HA ARG 90 OK 38 96 - 39 - 10316/3.8=9, 2803/3.0=7...(10) Peak 2792 from cnoeabs.peaks (8.43, 3.79, 59.97 ppm; 4.41 A): 2 out of 3 assignments used, quality = 0.91: * H VAL 93 + HA ARG 90 OK 88 100 - 88 - 7262=38, 3.9/9900=28...(9) H ALA 34 + HA ARG 90 OK 25 98 - 26 - 2.9/9897=11, 7279/7275=3...(9) H ASN 13 - HA ARG 90 lone 6 99 - 6 - 10653/3.8=2 Peak 2793 from cnoeabs.peaks (1.83, 3.79, 59.97 ppm; 3.78 A): 1 out of 5 assignments used, quality = 0.71: * HB VAL 93 + HA ARG 90 OK 71 100 - 71 - 2.1/9900=29, 2911=24...(7) HB3 ARG 23 - HA ARG 90 lone 9 92 - 10 - 3.7/2790=2, 3.7/2790=2...(4) HB3 LYS 26 - HA ARG 90 lone 5 65 - 8 - ~2804=2, ~2794=2...(4) HB3 LEU 123 - HA ARG 90 lone 3 85 - 4 - 7281/7275=1 HB2 LEU 100 - HA ARG 90 lone 3 87 - 3 - Peak 2794 from cnoeabs.peaks (4.26, 1.91, 29.98 ppm; 5.03 A): 3 out of 5 assignments used, quality = 0.87: * HA PHE 87 + HB2 ARG 90 OK 80 100 - 81 - 2804/1.8=32, 2723=27...(12) HA LYS 26 + HB2 ARG 90 OK 22 96 - 23 - 2804/1.8=8, 7206/3.8=5...(6) HA LYS 19 + HB2 ARG 90 OK 15 99 - 15 - 2804/1.8=5, 7226/4.4=4...(4) HB THR 115 - HB2 ARG 90 poor 7 65 - 11 - 4.0/10168=5, 7206/3.8=2 HA LYS 36 - HB2 ARG 90 lone 3 57 - 5 - 7226/4.4=1, 2804/1.8=1 Peak 2795 from cnoeabs.peaks (8.56, 1.91, 29.98 ppm; 4.35 A): 2 out of 2 assignments used, quality = 1.00: * H ARG 90 + HB2 ARG 90 OK 100 100 - 100 - 3.8=100 H GLY 114 + HB2 ARG 90 OK 68 99 - 69 - 7592=14, 2805/1.8=14...(16) Peak 2796 from cnoeabs.peaks (3.79, 1.91, 29.98 ppm; 4.67 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 90 + HB2 ARG 90 OK 100 100 - 100 - 3.0=100 HB2 SER 9 - HB2 ARG 90 OK 12 57 - 21 - 2806/1.8=4, 11847/4.8=3...(8) Peak 2797 from cnoeabs.peaks (1.91, 1.91, 29.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 90 + HB2 ARG 90 OK 100 100 - 100 Peak 2798 from cnoeabs.peaks (1.95, 1.91, 29.98 ppm; 2.75 A): 1 out of 5 assignments used, quality = 1.00: * HB3 ARG 90 + HB2 ARG 90 OK 100 100 - 100 - 1.8=100 HB2 PRO 58 - HB2 ARG 90 OK 40 99 - 41 - 2817/2.9=5, 2.3/2799=4...(21) HB2 GLU 30 - HB2 ARG 90 OK 27 92 - 30 - 1.8/2799=4, 2817/2.9=3...(16) HB3 LYS 86 - HB2 ARG 90 OK 22 96 - 23 - ~2628=3, ~9897=3...(11) HB3 PRO 81 - HB2 ARG 90 lone 3 87 - 4 - Peak 2799 from cnoeabs.peaks (2.02, 1.91, 29.98 ppm; 3.26 A): 2 out of 7 assignments used, quality = 1.00: * HG2 ARG 90 + HB2 ARG 90 OK 100 100 - 100 - 2.9=100 HG2 PRO 58 + HB2 ARG 90 OK 48 96 - 51 - 2809/1.8=10, 2.3/2798=8...(20) HB3 GLU 30 - HB2 ARG 90 OK 39 98 - 40 - 769/1.8=8, 1.8/2798=6...(19) HB2 GLN 134 - HB2 ARG 90 OK 27 99 - 27 - ~10604=6, ~10605=3...(10) HB VAL 63 - HB2 ARG 90 OK 15 100 - 14 - ~9899=3, 2809/1.8=2...(6) HB2 GLU 44 - HB2 ARG 90 lone 8 100 - 8 - 2809/1.8=1, 2827/2.9=1 HB3 MET 11 - HB2 ARG 90 lone 7 100 - 7 - 2809/1.8=1 Peak 2800 from cnoeabs.peaks (1.73, 1.91, 29.98 ppm; 4.45 A): 2 out of 3 assignments used, quality = 1.00: * HG3 ARG 90 + HB2 ARG 90 OK 100 100 - 100 - 2.9=100 HB2 LEU 43 + HB2 ARG 90 OK 49 92 - 53 - 2810/1.8=10, 2819/2.9=9...(13) HB ILE 80 - HB2 ARG 90 OK 34 92 - 37 - 2810/1.8=8, 2788/3.0=6...(12) Peak 2801 from cnoeabs.peaks (3.17, 1.91, 29.98 ppm; 4.10 A): 2 out of 6 assignments used, quality = 1.00: * HD2 ARG 90 + HB2 ARG 90 OK 100 100 - 100 - 3.8=100 HD3 ARG 90 + HB2 ARG 90 OK 99 99 - 100 - 3.8=100 HD3 ARG 23 - HB2 ARG 90 OK 34 98 - 35 - 2812/1.8=5, 2821/2.9=4...(15) HD2 ARG 23 - HB2 ARG 90 OK 34 98 - 35 - 2812/1.8=5, 2821/2.9=4...(15) HB2 HIS 10 - HB2 ARG 90 lone 9 98 - 9 - 7236/4.4=3, 2789/3.0=1...(4) HB3 HIS 6 - HB2 ARG 90 lone 2 87 - 2 - Peak 2802 from cnoeabs.peaks (3.17, 1.91, 29.98 ppm; 4.19 A): 2 out of 6 assignments used, quality = 1.00: * HD3 ARG 90 + HB2 ARG 90 OK 100 100 - 100 - 3.8=100 HD2 ARG 90 + HB2 ARG 90 OK 99 99 - 100 - 3.8=100 HD3 ARG 23 - HB2 ARG 90 OK 36 100 - 36 - 2812/1.8=5, 2821/2.9=4...(15) HD2 ARG 23 - HB2 ARG 90 OK 36 100 - 36 - 2812/1.8=5, 2821/2.9=4...(15) HB2 HIS 10 - HB2 ARG 90 lone 8 92 - 9 - 7236/4.4=3, 2789/3.0=1...(4) HB3 HIS 6 - HB2 ARG 90 lone 3 96 - 2 - Peak 2803 from cnoeabs.peaks (8.13, 1.91, 29.98 ppm; 4.61 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 91 + HB2 ARG 90 OK 100 100 - 100 - 4.4=100 H PHE 87 - HB2 ARG 90 OK 42 65 - 65 - 2.9/2794=18, ~2804=17...(11) H ASN 121 - HB2 ARG 90 OK 35 96 - 36 - 10316/2.9=10, 2813/1.8=8...(7) Peak 2804 from cnoeabs.peaks (4.26, 1.95, 29.98 ppm; 4.23 A): 3 out of 5 assignments used, quality = 0.76: * HA PHE 87 + HB3 ARG 90 OK 67 100 - 67 - 2724=24, 2723/1.8=18...(11) HA LYS 26 + HB3 ARG 90 OK 16 96 - 17 - 2794/1.8=5, 7206/3.8=4...(5) HA LYS 19 + HB3 ARG 90 OK 12 99 - 12 - 2794/1.8=3, 7226/4.4=3 HB THR 115 - HB3 ARG 90 lone 3 65 - 5 - 2794/1.8=2, 7206/3.8=2 HA LYS 36 - HB3 ARG 90 lone 2 57 - 4 - Peak 2805 from cnoeabs.peaks (8.56, 1.95, 29.98 ppm; 4.46 A): 2 out of 2 assignments used, quality = 1.00: * H ARG 90 + HB3 ARG 90 OK 100 100 - 100 - 3.8=100 H GLY 114 + HB3 ARG 90 OK 59 99 - 59 - 2795/1.8=16, 2783/3.0=12...(10) Peak 2806 from cnoeabs.peaks (3.79, 1.95, 29.98 ppm; 4.58 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 90 + HB3 ARG 90 OK 100 100 - 100 - 3.0=100 HB2 SER 9 - HB3 ARG 90 OK 12 57 - 20 - 2796/1.8=4, 11847/4.8=3...(8) Peak 2807 from cnoeabs.peaks (1.91, 1.95, 29.98 ppm; 2.76 A): 1 out of 5 assignments used, quality = 1.00: * HB2 ARG 90 + HB3 ARG 90 OK 100 100 - 100 - 1.8=100 HB2 PRO 113 - HB3 ARG 90 OK 34 98 - 35 - 2785/3.0=5, 2816/2.9=5...(15) HB3 LEU 49 - HB3 ARG 90 OK 12 98 - 12 - 2825/2.9=2, 2816/2.9=2...(5) HB3 ARG 84 - HB3 ARG 90 lone 2 65 - 3 - HB3 LEU 123 - HB3 ARG 90 lone 1 51 - 1 - Peak 2808 from cnoeabs.peaks (1.95, 1.95, 29.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ARG 90 + HB3 ARG 90 OK 100 100 - 100 Peak 2809 from cnoeabs.peaks (2.02, 1.95, 29.98 ppm; 2.50 A): 4 out of 7 assignments used, quality = 0.91: * HG2 ARG 90 + HB3 ARG 90 OK 76 100 - 76 - 2.9=62, 2814/3.8=6...(14) HG2 PRO 58 + HB3 ARG 90 OK 38 96 - 40 - 1857=9, 1.8/1865=6...(17) HB3 GLU 30 + HB3 ARG 90 OK 30 98 - 31 - 769=7, 2799/1.8=3...(14) HB2 GLN 134 + HB3 ARG 90 OK 13 99 - 14 - ~10604=3, 2799/1.8=2...(5) HB VAL 63 - HB3 ARG 90 lone 8 100 - 8 - ~9899=2, 2799/1.8=1...(4) HB2 GLU 44 - HB3 ARG 90 lone 5 100 - 5 - HB3 MET 11 - HB3 ARG 90 lone 4 100 - 4 - Peak 2810 from cnoeabs.peaks (1.73, 1.95, 29.98 ppm; 4.35 A): 2 out of 3 assignments used, quality = 1.00: * HG3 ARG 90 + HB3 ARG 90 OK 100 100 - 100 - 2.9=100 HB2 LEU 43 + HB3 ARG 90 OK 48 92 - 52 - 2800/1.8=10, 2819/2.9=9...(13) HB ILE 80 - HB3 ARG 90 OK 35 92 - 38 - 2800/1.8=7, 2788/3.0=6...(13) Peak 2811 from cnoeabs.peaks (3.17, 1.95, 29.98 ppm; 4.22 A): 2 out of 6 assignments used, quality = 1.00: * HD2 ARG 90 + HB3 ARG 90 OK 100 100 - 100 - 3.8=100 HD3 ARG 90 + HB3 ARG 90 OK 99 99 - 100 - 3.8=100 HD3 ARG 23 - HB3 ARG 90 OK 35 98 - 36 - 2802/1.8=5, 2821/2.9=4...(15) HD2 ARG 23 - HB3 ARG 90 OK 35 98 - 36 - 2802/1.8=5, 2821/2.9=4...(15) HB2 HIS 10 - HB3 ARG 90 lone 9 98 - 9 - 7236/4.4=3, 2789/3.0=1...(4) HB3 HIS 6 - HB3 ARG 90 lone 2 87 - 3 - Peak 2812 from cnoeabs.peaks (3.17, 1.95, 29.98 ppm; 4.23 A): 2 out of 6 assignments used, quality = 1.00: * HD3 ARG 90 + HB3 ARG 90 OK 100 100 - 100 - 3.8=100 HD2 ARG 90 + HB3 ARG 90 OK 99 99 - 100 - 3.8=100 HD3 ARG 23 - HB3 ARG 90 OK 36 100 - 36 - 2802/1.8=5, 2821/2.9=4...(15) HD2 ARG 23 - HB3 ARG 90 OK 36 100 - 36 - 2802/1.8=5, 2821/2.9=4...(15) HB2 HIS 10 - HB3 ARG 90 lone 9 92 - 9 - 7236/4.4=3, 2789/3.0=1...(4) HB3 HIS 6 - HB3 ARG 90 lone 3 96 - 3 - Peak 2813 from cnoeabs.peaks (8.13, 1.95, 29.98 ppm; 4.69 A): 2 out of 3 assignments used, quality = 1.00: * H GLU 91 + HB3 ARG 90 OK 100 100 - 100 - 4.4=100 H PHE 87 + HB3 ARG 90 OK 48 65 - 73 - 2.9/2804=25, ~2794=14...(14) H ASN 121 - HB3 ARG 90 OK 37 96 - 38 - 10316/2.9=11, 2803/1.8=8...(7) Peak 2814 from cnoeabs.peaks (8.56, 2.02, 28.15 ppm; 4.01 A): 2 out of 2 assignments used, quality = 0.98: * H ARG 90 + HG2 ARG 90 OK 95 100 - 95 - 4.6=66, 7220/1.8=26...(17) H GLY 114 + HG2 ARG 90 OK 49 99 - 50 - 2823/1.8=13, 2795/2.9=11...(9) Peak 2815 from cnoeabs.peaks (3.79, 2.02, 28.15 ppm; 3.88 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 90 + HG2 ARG 90 OK 100 100 - 100 - 3.8=100 HB2 SER 9 - HG2 ARG 90 poor 9 57 - 15 - 2824/1.8=3, 11847/4.0=3...(7) Peak 2816 from cnoeabs.peaks (1.91, 2.02, 28.15 ppm; 3.03 A): 1 out of 5 assignments used, quality = 1.00: * HB2 ARG 90 + HG2 ARG 90 OK 100 100 - 100 - 2.9=100 HB2 PRO 113 - HG2 ARG 90 OK 36 98 - 37 - 2825/1.8=7, 2807/2.9=6...(14) HB3 LEU 49 - HG2 ARG 90 OK 13 98 - 13 - 2825/1.8=3, 2807/2.9=2...(4) HB3 ARG 84 - HG2 ARG 90 lone 2 65 - 3 - HB3 LEU 123 - HG2 ARG 90 lone 1 51 - 1 - Peak 2817 from cnoeabs.peaks (1.95, 2.02, 28.15 ppm; 3.17 A): 2 out of 5 assignments used, quality = 1.00: * HB3 ARG 90 + HG2 ARG 90 OK 100 100 - 100 - 2.9=100 HB2 PRO 58 + HG2 ARG 90 OK 57 99 - 57 - 1843=9, 2826/1.8=7...(23) HB2 GLU 30 - HG2 ARG 90 OK 40 92 - 44 - 763=6, 2826/1.8=5...(20) HB3 LYS 86 - HG2 ARG 90 OK 24 96 - 26 - 2826/1.8=4, 2798/2.9=3...(12) HB3 PRO 81 - HG2 ARG 90 lone 5 87 - 5 - Peak 2818 from cnoeabs.peaks (2.02, 2.02, 28.15 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 ARG 90 + HG2 ARG 90 OK 100 100 - 100 Peak 2819 from cnoeabs.peaks (1.73, 2.02, 28.15 ppm; 3.18 A): 1 out of 3 assignments used, quality = 1.00: * HG3 ARG 90 + HG2 ARG 90 OK 100 100 - 100 - 1.8=100 HB2 LEU 43 - HG2 ARG 90 OK 31 92 - 34 - ~1361=5, 2810/2.9=4...(13) HB ILE 80 - HG2 ARG 90 OK 18 92 - 20 - 2810/2.9=3, 2800/2.9=3...(10) Peak 2820 from cnoeabs.peaks (3.17, 2.02, 28.15 ppm; 3.62 A): 2 out of 6 assignments used, quality = 1.00: * HD2 ARG 90 + HG2 ARG 90 OK 100 100 - 100 - 3.0=100 HD3 ARG 90 + HG2 ARG 90 OK 99 99 - 100 - 3.0=100 HD3 ARG 23 - HG2 ARG 90 OK 27 98 - 27 - 2830/1.8=4, 2801/2.9=3...(11) HD2 ARG 23 - HG2 ARG 90 OK 27 98 - 27 - 2830/1.8=4, 2801/2.9=3...(11) HB2 HIS 10 - HG2 ARG 90 lone 8 98 - 8 - 4.7/6068=2 HB3 HIS 6 - HG2 ARG 90 lone 2 87 - 2 - Peak 2821 from cnoeabs.peaks (3.17, 2.02, 28.15 ppm; 3.60 A): 2 out of 6 assignments used, quality = 1.00: * HD3 ARG 90 + HG2 ARG 90 OK 100 100 - 100 - 3.0=100 HD2 ARG 90 + HG2 ARG 90 OK 99 99 - 100 - 3.0=100 HD3 ARG 23 - HG2 ARG 90 OK 27 100 - 27 - 2830/1.8=4, 2802/2.9=3...(11) HD2 ARG 23 - HG2 ARG 90 OK 27 100 - 27 - 2830/1.8=4, 2802/2.9=3...(11) HB2 HIS 10 - HG2 ARG 90 lone 7 92 - 8 - 4.7/6068=2 HB3 HIS 6 - HG2 ARG 90 lone 2 96 - 2 - Peak 2822 from cnoeabs.peaks (8.13, 2.02, 28.15 ppm; 4.12 A): 3 out of 3 assignments used, quality = 0.90: * H GLU 91 + HG2 ARG 90 OK 79 100 - 79 - 7234=26, 7232/2.9=22...(10) H PHE 87 + HG2 ARG 90 OK 34 65 - 51 - ~2804=10, ~2794=8...(13) H ASN 121 + HG2 ARG 90 OK 32 96 - 33 - 10316=9, 2803/2.9=5...(8) Peak 2823 from cnoeabs.peaks (8.56, 1.73, 28.15 ppm; 4.16 A): 2 out of 2 assignments used, quality = 0.99: * H ARG 90 + HG3 ARG 90 OK 97 100 - 97 - 4.6=73, 2814/1.8=26...(18) H GLY 114 + HG3 ARG 90 OK 52 99 - 53 - 2814/1.8=14, 2795/2.9=12...(10) Peak 2824 from cnoeabs.peaks (3.79, 1.73, 28.15 ppm; 3.86 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 90 + HG3 ARG 90 OK 100 100 - 100 - 3.8=100 HB2 SER 9 - HG3 ARG 90 poor 9 57 - 15 - 2815/1.8=3, 11847/4.0=3...(7) Peak 2825 from cnoeabs.peaks (1.91, 1.73, 28.15 ppm; 3.66 A): 2 out of 5 assignments used, quality = 1.00: * HB2 ARG 90 + HG3 ARG 90 OK 100 100 - 100 - 2.9=100 HB2 PRO 113 + HG3 ARG 90 OK 49 98 - 50 - 2816/1.8=10, 2807/2.9=8...(15) HB3 LEU 49 - HG3 ARG 90 OK 20 98 - 20 - 2816/1.8=4, 2807/2.9=3...(10) HB3 ARG 84 - HG3 ARG 90 lone 3 65 - 4 - HB3 LEU 123 - HG3 ARG 90 lone 1 51 - 2 - Peak 2826 from cnoeabs.peaks (1.95, 1.73, 28.15 ppm; 3.49 A): 2 out of 5 assignments used, quality = 1.00: * HB3 ARG 90 + HG3 ARG 90 OK 100 100 - 100 - 2.9=100 HB2 PRO 58 + HG3 ARG 90 OK 57 99 - 58 - 2817/1.8=10, 2798/2.9=7...(23) HB2 GLU 30 - HG3 ARG 90 OK 40 92 - 43 - 2817/1.8=7, 1.8/2827=6...(19) HB3 LYS 86 - HG3 ARG 90 OK 29 96 - 31 - 2817/1.8=4, 2798/2.9=4...(13) HB3 PRO 81 - HG3 ARG 90 lone 5 87 - 6 - Peak 2827 from cnoeabs.peaks (2.02, 1.73, 28.15 ppm; 3.11 A): 1 out of 7 assignments used, quality = 1.00: * HG2 ARG 90 + HG3 ARG 90 OK 100 100 - 100 - 1.8=100 HG2 PRO 58 - HG3 ARG 90 OK 43 96 - 46 - 2809/2.9=7, 2.3/2826=6...(20) HB3 GLU 30 - HG3 ARG 90 OK 35 98 - 36 - 769/2.9=5, 1.8/2826=5...(17) HB2 GLN 134 - HG3 ARG 90 OK 20 99 - 20 - 2799/2.9=3, 2787/3.8=3...(10) HB VAL 63 - HG3 ARG 90 OK 10 100 - 10 - ~2029=2, 2787/3.8=1...(5) HB2 GLU 44 - HG3 ARG 90 lone 10 100 - 10 - 3.9/6520=3 HB3 MET 11 - HG3 ARG 90 lone 7 100 - 6 - Peak 2828 from cnoeabs.peaks (1.73, 1.73, 28.15 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 90 + HG3 ARG 90 OK 100 100 - 100 Peak 2829 from cnoeabs.peaks (3.17, 1.73, 28.15 ppm; 3.50 A): 2 out of 6 assignments used, quality = 1.00: * HD2 ARG 90 + HG3 ARG 90 OK 100 100 - 100 - 3.0=100 HD3 ARG 90 + HG3 ARG 90 OK 99 99 - 100 - 3.0=100 HD3 ARG 23 - HG3 ARG 90 OK 25 98 - 26 - 2821/1.8=4, 2801/2.9=3...(11) HD2 ARG 23 - HG3 ARG 90 OK 25 98 - 26 - 2821/1.8=4, 2801/2.9=3...(11) HB2 HIS 10 - HG3 ARG 90 lone 6 98 - 6 - 2820/1.8=1 HB3 HIS 6 - HG3 ARG 90 lone 1 87 - 2 - Peak 2830 from cnoeabs.peaks (3.17, 1.73, 28.15 ppm; 3.48 A): 2 out of 6 assignments used, quality = 1.00: * HD3 ARG 90 + HG3 ARG 90 OK 100 100 - 100 - 3.0=100 HD2 ARG 90 + HG3 ARG 90 OK 99 99 - 100 - 3.0=100 HD3 ARG 23 - HG3 ARG 90 OK 25 100 - 25 - 2821/1.8=4, 2802/2.9=3...(11) HD2 ARG 23 - HG3 ARG 90 OK 25 100 - 25 - 2821/1.8=4, 2802/2.9=3...(11) HB2 HIS 10 - HG3 ARG 90 lone 6 92 - 6 - 2820/1.8=1 HB3 HIS 6 - HG3 ARG 90 lone 2 96 - 2 - Peak 2831 from cnoeabs.peaks (8.13, 1.73, 28.15 ppm; 6.02 A): 3 out of 3 assignments used, quality = 0.98: * H GLU 91 + HG3 ARG 90 OK 93 100 - 93 - 7232/2.9=33, 7230/4.6=31...(11) H PHE 87 + HG3 ARG 90 OK 52 65 - 79 - ~2804=21, ~2794=18...(13) H ASN 121 + HG3 ARG 90 OK 48 96 - 50 - 10316/1.8=18, 2813/2.9=9...(7) Peak 2832 from cnoeabs.peaks (8.56, 3.17, 43.40 ppm; 4.03 A): 2 out of 4 assignments used, quality = 0.99: * H ARG 90 + HD2 ARG 90 OK 90 100 - 90 - 5.9=32, 7220/3.0=20...(16) H ARG 90 + HD3 ARG 90 OK 86 96 - 90 - 5.9=32, 7220/3.0=20...(16) H GLY 114 - HD2 ARG 90 OK 42 99 - 42 - 2814/3.0=10, 2823/3.0=10...(7) H GLY 114 - HD3 ARG 90 OK 39 94 - 42 - 2814/3.0=10, 2823/3.0=10...(7) Peak 2833 from cnoeabs.peaks (3.79, 3.17, 43.40 ppm; 3.91 A): 2 out of 4 assignments used, quality = 0.99: * HA ARG 90 + HD2 ARG 90 OK 94 100 - 94 - 5.2=43, 2788/3.0=20...(25) HA ARG 90 + HD3 ARG 90 OK 89 96 - 94 - 5.2=43, 2788/3.0=20...(25) HB2 SER 9 - HD2 ARG 90 OK 11 57 - 19 - ~11847=5, 11847/2.9=3...(7) HB2 SER 9 - HD3 ARG 90 poor 10 51 - 19 - ~11847=5, 11847/2.9=3...(7) Peak 2834 from cnoeabs.peaks (1.91, 3.17, 43.40 ppm; 3.19 A): 2 out of 10 assignments used, quality = 0.97: * HB2 ARG 90 + HD2 ARG 90 OK 86 100 - 86 - 3.8=59, 1.8/2835=10...(18) HB2 ARG 90 + HD3 ARG 90 OK 82 96 - 85 - 3.8=59, 1.8/2835=9...(18) HB2 PRO 113 - HD2 ARG 90 OK 26 98 - 26 - 2816/3.0=6, 2825/3.0=6...(7) HB2 PRO 113 - HD3 ARG 90 OK 24 92 - 26 - 2816/3.0=6, 2825/3.0=6...(7) HB3 LEU 49 - HD2 ARG 90 lone 9 98 - 9 - 2825/3.0=2, 2816/3.0=2...(4) HB3 LEU 49 - HD3 ARG 90 lone 9 92 - 9 - 2825/3.0=2, 2816/3.0=2...(4) HB3 ARG 84 - HD2 ARG 90 lone 1 65 - 2 - HB3 ARG 84 - HD3 ARG 90 lone 1 58 - 2 - HB3 LEU 123 - HD2 ARG 90 lone 0 51 - 1 - HB3 LEU 123 - HD3 ARG 90 lone 0 45 - 1 - Peak 2835 from cnoeabs.peaks (1.95, 3.17, 43.40 ppm; 3.15 A): 2 out of 10 assignments used, quality = 0.98: * HB3 ARG 90 + HD2 ARG 90 OK 87 100 - 87 - 3.8=57, 2809/3.0=13...(19) HB3 ARG 90 + HD3 ARG 90 OK 83 96 - 87 - 3.8=57, 2809/3.0=13...(19) HB2 PRO 58 - HD2 ARG 90 OK 32 99 - 32 - 2817/3.0=6, 2826/3.0=5...(15) HB2 PRO 58 - HD3 ARG 90 OK 30 94 - 32 - 2817/3.0=6, 2826/3.0=5...(15) HB2 GLU 30 - HD2 ARG 90 OK 24 92 - 26 - 2817/3.0=4, 2826/3.0=4...(11) HB2 GLU 30 - HD3 ARG 90 OK 22 84 - 26 - 2817/3.0=4, 2826/3.0=4...(11) HB3 LYS 86 - HD2 ARG 90 OK 15 96 - 16 - 2826/3.0=3, 2817/3.0=3...(7) HB3 LYS 86 - HD3 ARG 90 OK 14 89 - 16 - 2826/3.0=3, 2817/3.0=3...(7) HB3 PRO 81 - HD2 ARG 90 lone 3 87 - 3 - HB3 PRO 81 - HD3 ARG 90 lone 2 79 - 3 - Peak 2836 from cnoeabs.peaks (2.02, 3.17, 43.40 ppm; 2.99 A): 2 out of 14 assignments used, quality = 1.00: * HG2 ARG 90 + HD2 ARG 90 OK 100 100 - 100 - 3.0=100 HG2 ARG 90 + HD3 ARG 90 OK 96 96 - 100 - 3.0=100 HG2 PRO 58 - HD2 ARG 90 OK 28 96 - 29 - 2827/3.0=4, 2809/3.8=4...(15) HG2 PRO 58 - HD3 ARG 90 OK 26 89 - 29 - 2827/3.0=4, 2809/3.8=4...(15) HB3 GLU 30 - HD2 ARG 90 OK 26 98 - 26 - 2827/3.0=4, 769/3.8=3...(12) HB3 GLU 30 - HD3 ARG 90 OK 24 92 - 26 - 2827/3.0=4, 769/3.8=3...(12) HB2 GLN 134 - HD2 ARG 90 OK 13 99 - 13 - 2827/3.0=2, 2799/3.8=2...(7) HB2 GLN 134 - HD3 ARG 90 OK 12 94 - 13 - 2827/3.0=2, 2799/3.8=2...(7) HB VAL 63 - HD2 ARG 90 lone 7 100 - 7 - 2827/3.0=1 HB VAL 63 - HD3 ARG 90 lone 7 95 - 7 - 2827/3.0=1 HB3 MET 11 - HD2 ARG 90 lone 6 100 - 5 - 4.0/6064=1 HB3 MET 11 - HD3 ARG 90 lone 5 96 - 5 - 4.0/6064=1 HB2 GLU 44 - HD2 ARG 90 lone 5 100 - 5 - HB2 GLU 44 - HD3 ARG 90 lone 5 95 - 5 - Peak 2837 from cnoeabs.peaks (1.73, 3.17, 43.40 ppm; 2.98 A): 2 out of 6 assignments used, quality = 1.00: * HG3 ARG 90 + HD2 ARG 90 OK 100 100 - 100 - 3.0=100 HG3 ARG 90 + HD3 ARG 90 OK 96 96 - 100 - 3.0=100 HB2 LEU 43 - HD2 ARG 90 OK 22 92 - 24 - 2819/3.0=5, 11840/2.9=3...(11) HB2 LEU 43 - HD3 ARG 90 OK 20 84 - 24 - 2819/3.0=5, 11840/2.9=3...(11) HB ILE 80 - HD2 ARG 90 OK 13 92 - 14 - 2819/3.0=3, 2810/3.8=2...(6) HB ILE 80 - HD3 ARG 90 OK 12 84 - 14 - 2819/3.0=3, 2810/3.8=2...(6) Peak 2838 from cnoeabs.peaks (3.17, 3.17, 43.40 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD2 ARG 90 + HD2 ARG 90 OK 100 100 - 100 HD3 ARG 90 + HD3 ARG 90 OK 94 94 - 100 Peak 2839 from cnoeabs.peaks (3.17, 3.17, 43.40 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD2 ARG 90 + HD2 ARG 90 OK 99 99 - 100 HD3 ARG 90 + HD3 ARG 90 OK 96 96 - 100 Reference assignment not found: HD3 ARG 90 - HD2 ARG 90 Peak 2840 from cnoeabs.peaks (8.13, 3.17, 43.40 ppm; 4.71 A): 2 out of 6 assignments used, quality = 0.96: * H GLU 91 + HD2 ARG 90 OK 82 100 - 82 - 7234/3.0=24, 7232/3.8=23...(8) H GLU 91 + HD3 ARG 90 OK 78 96 - 82 - 7234/3.0=24, 7232/3.8=23...(8) H ASN 121 - HD2 ARG 90 OK 30 96 - 32 - 10316/3.0=11, 2813/3.8=6...(6) H ASN 121 - HD3 ARG 90 OK 28 89 - 32 - 10316/3.0=11, 2813/3.8=6...(6) H PHE 87 - HD2 ARG 90 OK 25 65 - 38 - 2822/3.0=9, 2813/3.8=7...(8) H PHE 87 - HD3 ARG 90 OK 22 58 - 38 - 2822/3.0=9, 2813/3.8=7...(8) Peak 2841 from cnoeabs.peaks (8.56, 3.17, 43.40 ppm; 4.03 A): 2 out of 4 assignments used, quality = 0.99: * H ARG 90 + HD3 ARG 90 OK 90 100 - 90 - 5.9=32, 7220/3.0=20...(16) H ARG 90 + HD2 ARG 90 OK 86 96 - 90 - 5.9=32, 7220/3.0=20...(16) H GLY 114 - HD3 ARG 90 OK 42 99 - 42 - 2814/3.0=10, 2823/3.0=10...(7) H GLY 114 - HD2 ARG 90 OK 39 94 - 42 - 2814/3.0=10, 2823/3.0=10...(7) Peak 2842 from cnoeabs.peaks (3.79, 3.17, 43.40 ppm; 3.91 A): 2 out of 4 assignments used, quality = 0.99: * HA ARG 90 + HD3 ARG 90 OK 94 100 - 94 - 5.2=43, 2788/3.0=20...(25) HA ARG 90 + HD2 ARG 90 OK 89 96 - 94 - 5.2=43, 2788/3.0=20...(25) HB2 SER 9 - HD3 ARG 90 OK 11 57 - 19 - ~11847=5, 11847/2.9=3...(7) HB2 SER 9 - HD2 ARG 90 poor 10 51 - 19 - ~11847=5, 11847/2.9=3...(7) Peak 2843 from cnoeabs.peaks (1.91, 3.17, 43.40 ppm; 3.19 A): 2 out of 10 assignments used, quality = 0.97: * HB2 ARG 90 + HD3 ARG 90 OK 85 100 - 85 - 3.8=59, 1.8/2844=10...(18) HB2 ARG 90 + HD2 ARG 90 OK 82 96 - 85 - 3.8=59, 1.8/2844=9...(18) HB2 PRO 113 - HD3 ARG 90 OK 26 98 - 26 - 2816/3.0=6, 2825/3.0=6...(7) HB2 PRO 113 - HD2 ARG 90 OK 24 92 - 26 - 2816/3.0=6, 2825/3.0=6...(7) HB3 LEU 49 - HD3 ARG 90 lone 9 98 - 9 - 2825/3.0=2, 2816/3.0=2...(4) HB3 LEU 49 - HD2 ARG 90 lone 9 92 - 9 - 2825/3.0=2, 2816/3.0=2...(4) HB3 ARG 84 - HD3 ARG 90 lone 1 65 - 2 - HB3 ARG 84 - HD2 ARG 90 lone 1 58 - 2 - HB3 LEU 123 - HD3 ARG 90 lone 0 51 - 1 - HB3 LEU 123 - HD2 ARG 90 lone 0 45 - 1 - Peak 2844 from cnoeabs.peaks (1.95, 3.17, 43.40 ppm; 3.15 A): 2 out of 10 assignments used, quality = 0.98: * HB3 ARG 90 + HD3 ARG 90 OK 87 100 - 87 - 3.8=57, 2809/3.0=13...(19) HB3 ARG 90 + HD2 ARG 90 OK 83 96 - 87 - 3.8=57, 2809/3.0=13...(19) HB2 PRO 58 - HD3 ARG 90 OK 32 99 - 32 - 2817/3.0=6, 2826/3.0=5...(15) HB2 PRO 58 - HD2 ARG 90 OK 30 94 - 32 - 2817/3.0=6, 2826/3.0=5...(15) HB2 GLU 30 - HD3 ARG 90 OK 24 92 - 26 - 2817/3.0=4, 2826/3.0=4...(11) HB2 GLU 30 - HD2 ARG 90 OK 22 84 - 26 - 2817/3.0=4, 2826/3.0=4...(11) HB3 LYS 86 - HD3 ARG 90 OK 15 96 - 16 - 2826/3.0=3, 2817/3.0=3...(7) HB3 LYS 86 - HD2 ARG 90 OK 14 89 - 16 - 2826/3.0=3, 2817/3.0=3...(7) HB3 PRO 81 - HD3 ARG 90 lone 3 87 - 3 - HB3 PRO 81 - HD2 ARG 90 lone 2 79 - 3 - Peak 2845 from cnoeabs.peaks (2.02, 3.17, 43.40 ppm; 2.99 A): 2 out of 14 assignments used, quality = 1.00: * HG2 ARG 90 + HD3 ARG 90 OK 100 100 - 100 - 3.0=100 HG2 ARG 90 + HD2 ARG 90 OK 96 96 - 100 - 3.0=100 HG2 PRO 58 - HD3 ARG 90 OK 28 96 - 29 - 2827/3.0=4, 2809/3.8=4...(15) HG2 PRO 58 - HD2 ARG 90 OK 26 89 - 29 - 2827/3.0=4, 2809/3.8=4...(15) HB3 GLU 30 - HD3 ARG 90 OK 25 98 - 26 - 2827/3.0=4, 769/3.8=3...(12) HB3 GLU 30 - HD2 ARG 90 OK 24 92 - 26 - 2827/3.0=4, 769/3.8=3...(12) HB2 GLN 134 - HD3 ARG 90 OK 13 99 - 13 - 2827/3.0=2, 2799/3.8=2...(7) HB2 GLN 134 - HD2 ARG 90 OK 12 94 - 13 - 2827/3.0=2, 2799/3.8=2...(7) HB VAL 63 - HD3 ARG 90 lone 7 100 - 7 - 2827/3.0=1 HB VAL 63 - HD2 ARG 90 lone 7 95 - 7 - 2827/3.0=1 HB3 MET 11 - HD3 ARG 90 lone 5 100 - 5 - HB3 MET 11 - HD2 ARG 90 lone 5 96 - 5 - 4.0/6064=1 HB2 GLU 44 - HD3 ARG 90 lone 5 100 - 5 - HB2 GLU 44 - HD2 ARG 90 lone 5 95 - 5 - Peak 2846 from cnoeabs.peaks (1.73, 3.17, 43.40 ppm; 2.98 A): 2 out of 6 assignments used, quality = 1.00: * HG3 ARG 90 + HD3 ARG 90 OK 100 100 - 100 - 3.0=100 HG3 ARG 90 + HD2 ARG 90 OK 96 96 - 100 - 3.0=100 HB2 LEU 43 - HD3 ARG 90 OK 22 92 - 24 - 2819/3.0=5, 11840/2.9=3...(11) HB2 LEU 43 - HD2 ARG 90 OK 20 84 - 24 - 2819/3.0=5, 11840/2.9=3...(11) HB ILE 80 - HD3 ARG 90 OK 13 92 - 14 - 2819/3.0=3, 2810/3.8=2...(6) HB ILE 80 - HD2 ARG 90 OK 12 84 - 14 - 2819/3.0=3, 2810/3.8=2...(6) Peak 2847 from cnoeabs.peaks (3.17, 3.17, 43.40 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 ARG 90 + HD3 ARG 90 OK 99 99 - 100 HD2 ARG 90 + HD2 ARG 90 OK 96 96 - 100 Reference assignment not found: HD2 ARG 90 - HD3 ARG 90 Peak 2848 from cnoeabs.peaks (3.17, 3.17, 43.40 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 ARG 90 + HD3 ARG 90 OK 100 100 - 100 HD2 ARG 90 + HD2 ARG 90 OK 94 94 - 100 Peak 2849 from cnoeabs.peaks (8.13, 3.17, 43.40 ppm; 4.71 A): 2 out of 6 assignments used, quality = 0.96: * H GLU 91 + HD3 ARG 90 OK 82 100 - 82 - 7234/3.0=24, 7232/3.8=23...(8) H GLU 91 + HD2 ARG 90 OK 78 96 - 81 - 7234/3.0=24, 7232/3.8=23...(8) H ASN 121 - HD3 ARG 90 OK 30 96 - 32 - 10316/3.0=11, 2813/3.8=6...(6) H ASN 121 - HD2 ARG 90 OK 28 89 - 32 - 10316/3.0=11, 2813/3.8=6...(6) H PHE 87 - HD3 ARG 90 OK 25 65 - 38 - 2822/3.0=9, 2813/3.8=7...(8) H PHE 87 - HD2 ARG 90 OK 22 58 - 38 - 2822/3.0=9, 2813/3.8=7...(8) Peak 2850 from cnoeabs.peaks (8.13, 3.98, 58.93 ppm; 3.52 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 91 + HA GLU 91 OK 100 100 - 100 - 2.9=100 H ASN 121 - HA GLU 91 OK 22 96 - 23 - 2869/3.0=5, 2861/3.0=4...(8) H PHE 87 - HA GLU 91 OK 14 65 - 21 - ~7226=5, 2791/4.8=3...(8) Peak 2851 from cnoeabs.peaks (3.98, 3.98, 58.93 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 91 + HA GLU 91 OK 100 100 - 100 Peak 2852 from cnoeabs.peaks (1.99, 3.98, 58.93 ppm; 3.37 A): 1 out of 7 assignments used, quality = 1.00: * HB2 GLU 91 + HA GLU 91 OK 100 100 - 100 - 3.0=100 HB2 GLU 55 - HA GLU 91 OK 30 96 - 32 - 2871/3.0=5, 1.8/2853=4...(12) HB3 LEU 53 - HA GLU 91 OK 12 100 - 12 - 2871/3.0=2...(6) HG2 PRO 81 - HA GLU 91 poor 10 96 - 10 - 7252/3.6=2, 7239/2.9=2...(4) HB ILE 129 - HA GLU 91 lone 7 73 - 10 - 7252/3.6=4, 7239/2.9=1 HB3 PRO 56 - HA GLU 91 lone 2 87 - 2 - HB VAL 20 - HA GLU 91 lone 2 81 - 2 - Peak 2853 from cnoeabs.peaks (2.03, 3.98, 58.93 ppm; 3.21 A): 1 out of 7 assignments used, quality = 1.00: * HB3 GLU 91 + HA GLU 91 OK 100 100 - 100 - 3.0=100 HB3 GLU 55 - HA GLU 91 OK 18 65 - 27 - 1.8/2852=6, 2864/3.0=4...(12) HG3 ARG 135 - HA GLU 91 OK 13 100 - 13 - 2864/3.0=2, 2879/3.9=2...(6) HG2 PRO 58 - HA GLU 91 poor 9 87 - 11 - 7240/2.9=3, ~7233=2...(4) HB3 GLU 40 - HA GLU 91 lone 7 98 - 7 - 2864/3.0=1, 7240/2.9=1 HB2 GLU 44 - HA GLU 91 lone 2 65 - 3 - QE MET 11 - HA GLU 91 lone 1 73 - 1 - Peak 2854 from cnoeabs.peaks (2.23, 3.98, 58.93 ppm; 3.15 A): 3 out of 8 assignments used, quality = 0.89: * HG2 GLU 91 + HA GLU 91 OK 86 100 - 86 - 3.9=54, 1.8/2855=20...(13) HB3 GLU 128 + HA GLU 91 OK 17 99 - 17 - 7254/3.6=3, 2865/3.0=3...(8) HG2 GLN 68 + HA GLU 91 OK 12 96 - 13 - 2873/3.0=2, 2865/3.0=2...(5) HB3 GLN 104 - HA GLU 91 lone 7 92 - 8 - ~7229=2, 7241/2.9=1, 7254/3.6=1 HB3 GLU 102 - HA GLU 91 lone 7 99 - 7 - 7254/3.6=2, 3342/4.9=1 HB3 LEU 96 - HA GLU 91 poor 7 65 - 11 - 1.8/11307=4, 2873/3.0=1...(5) HB2 GLN 68 - HA GLU 91 lone 6 73 - 9 - 2873/3.0=1, 2865/3.0=1 HB3 GLN 127 - HA GLU 91 lone 6 100 - 5 - Peak 2855 from cnoeabs.peaks (2.11, 3.98, 58.93 ppm; 3.53 A): 1 out of 4 assignments used, quality = 0.96: * HG3 GLU 91 + HA GLU 91 OK 96 100 - 96 - 3.9=77, 1.8/2854=24...(12) HB VAL 126 - HA GLU 91 OK 38 96 - 40 - 2.1/10394=13, 2866/3.0=7...(8) HB3 GLN 61 - HA GLU 91 lone 6 73 - 8 - 3.0/10985=3, 7242/2.9=1 HB VAL 112 - HA GLU 91 lone 1 65 - 2 - Peak 2856 from cnoeabs.peaks (7.82, 3.98, 58.93 ppm; 3.93 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 92 + HA GLU 91 OK 100 100 - 100 - 3.6=100 Peak 2857 from cnoeabs.peaks (7.99, 3.98, 58.93 ppm; 4.06 A): 3 out of 4 assignments used, quality = 0.80: * H SER 94 + HA GLU 91 OK 74 100 - 74 - 7277/3.6=23, 3.6/2858=23...(9) H SER 51 + HA GLU 91 OK 12 73 - 17 - 3.0/1611=4, 3.1/6650=3...(6) H LYS 36 + HA GLU 91 OK 12 96 - 12 - 11920/2.9=4, 7259/3.6=3 H SER 38 - HA GLU 91 lone 2 57 - 3 - Peak 2858 from cnoeabs.peaks (3.90, 3.98, 58.93 ppm; 3.66 A): 0 out of 9 assignments used, low quality = 0.38: ! HB2 SER 94 - HA GLU 91 OK 38 100 - 38 - 3.6/2857=16, 2938=12...(7) HB2 SER 60 - HA GLU 91 lone 3 87 - 3 - HB3 SER 60 - HA GLU 91 lone 3 87 - 3 - HA ALA 46 - HA GLU 91 lone 2 81 - 2 - 9173/10394=1 HA ALA 41 - HA GLU 91 lone 1 81 - 1 - HB2 SER 33 - HA GLU 91 lone 1 65 - 1 - HA3 GLY 75 - HA GLU 91 lone 1 100 - 1 - HA2 GLY 2 - HA GLU 91 lone 0 65 - 1 - HA3 GLY 2 - HA GLU 91 lone 0 65 - 1 - Peak 2859 from cnoeabs.peaks (3.97, 3.98, 58.93 ppm; diagonal): 1 out of 1 assignment used, quality = 0.73: HA GLU 91 + HA GLU 91 OK 73 73 - 100 Reference assignment not found: HB3 SER 94 - HA GLU 91 Peak 2860 from cnoeabs.peaks (4.20, 1.99, 28.84 ppm; 4.34 A): 2 out of 3 assignments used, quality = 0.86: * HA ALA 88 + HB2 GLU 91 OK 82 100 - 82 - 2749/1.8=30, 2748=30...(7) HA GLU 128 + HB2 GLU 91 OK 25 81 - 31 - 2868/1.8=8, 7246/4.6=6...(8) HB THR 25 - HB2 GLU 91 lone 9 99 - 9 - 2868/1.8=3, 7227/4.0=3 Peak 2861 from cnoeabs.peaks (8.13, 1.99, 28.84 ppm; 3.70 A): 1 out of 3 assignments used, quality = 0.95: * H GLU 91 + HB2 GLU 91 OK 95 100 - 95 - 4.0=80, 7240/1.8=28...(11) H ASN 121 - HB2 GLU 91 OK 22 96 - 23 - 2869/1.8=7, 2850/3.0=5...(5) H PHE 87 - HB2 GLU 91 OK 12 65 - 18 - 2883/3.0=4, 2876/3.0=3...(8) Peak 2862 from cnoeabs.peaks (3.98, 1.99, 28.84 ppm; 3.76 A): 1 out of 5 assignments used, quality = 1.00: * HA GLU 91 + HB2 GLU 91 OK 100 100 - 100 - 3.0=100 HB3 SER 94 - HB2 GLU 91 OK 27 73 - 37 - ~2858=14, 2870/1.8=6...(10) HB3 SER 51 - HB2 GLU 91 OK 25 100 - 25 - 2870/1.8=6, 2884/3.0=5...(9) HB3 SER 106 - HB2 GLU 91 lone 8 99 - 8 - 2870/1.8=2, 2877/3.0=1...(4) HA THR 65 - HB2 GLU 91 lone 1 57 - 2 - Peak 2863 from cnoeabs.peaks (1.99, 1.99, 28.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 91 + HB2 GLU 91 OK 100 100 - 100 Peak 2864 from cnoeabs.peaks (2.03, 1.99, 28.84 ppm; 2.89 A): 1 out of 7 assignments used, quality = 1.00: * HB3 GLU 91 + HB2 GLU 91 OK 100 100 - 100 - 1.8=100 HB3 GLU 55 - HB2 GLU 91 OK 20 65 - 31 - 3.0/1728=3, 3.0/1722=3...(15) HG3 ARG 135 - HB2 GLU 91 OK 12 100 - 12 - 2879/3.0=2, 2886/3.0=2...(5) HB3 GLU 40 - HB2 GLU 91 lone 6 98 - 6 - HG2 PRO 58 - HB2 GLU 91 lone 6 87 - 7 - 7240/4.0=2, 2853/3.0=1 HB2 GLU 44 - HB2 GLU 91 lone 1 65 - 2 - QE MET 11 - HB2 GLU 91 lone 1 73 - 1 - Peak 2865 from cnoeabs.peaks (2.23, 1.99, 28.84 ppm; 3.46 A): 1 out of 8 assignments used, quality = 1.00: * HG2 GLU 91 + HB2 GLU 91 OK 100 100 - 100 - 3.0=100 HB3 GLU 128 - HB2 GLU 91 OK 24 99 - 24 - 2873/1.8=4, 3.0/2860=4...(8) HG2 GLN 68 - HB2 GLU 91 OK 18 96 - 18 - 2873/1.8=3, 2854/3.0=2...(5) HB3 LEU 96 - HB2 GLU 91 OK 13 65 - 19 - ~11307=3, ~9911=3...(8) HB2 GLN 68 - HB2 GLU 91 OK 10 73 - 14 - 2873/1.8=2, ~2873=1...(5) HB3 GLU 102 - HB2 GLU 91 lone 8 99 - 8 - 7254/4.6=2, 2873/1.8=2 HB3 GLN 127 - HB2 GLU 91 lone 7 100 - 7 - 2873/1.8=1, 2887/3.0=1 HB3 GLN 104 - HB2 GLU 91 lone 7 92 - 8 - 2854/3.0=1, 2873/1.8=1...(4) Peak 2866 from cnoeabs.peaks (2.11, 1.99, 28.84 ppm; 2.99 A): 1 out of 4 assignments used, quality = 0.99: * HG3 GLU 91 + HB2 GLU 91 OK 99 100 - 99 - 3.0=99, 2874/1.8=25...(9) HB VAL 126 - HB2 GLU 91 OK 32 96 - 34 - 2874/1.8=8, 2.1/11618=7...(11) HB3 GLN 61 - HB2 GLU 91 lone 4 73 - 5 - ~10985=1 HB VAL 112 - HB2 GLU 91 lone 1 65 - 2 - Peak 2867 from cnoeabs.peaks (7.82, 1.99, 28.84 ppm; 4.06 A): 1 out of 1 assignment used, quality = 0.93: * H ALA 92 + HB2 GLU 91 OK 93 100 - 93 - 4.6=68, 2875/1.8=37...(9) Peak 2868 from cnoeabs.peaks (4.20, 2.03, 28.84 ppm; 4.40 A): 2 out of 3 assignments used, quality = 0.85: * HA ALA 88 + HB3 GLU 91 OK 80 100 - 80 - 2749=37, 2860/1.8=28...(6) HA GLU 128 + HB3 GLU 91 OK 25 81 - 31 - 2860/1.8=8, 7246/4.6=6...(8) HB THR 25 - HB3 GLU 91 lone 9 99 - 9 - 2860/1.8=3, 7227/4.0=3 Peak 2869 from cnoeabs.peaks (8.13, 2.03, 28.84 ppm; 3.74 A): 1 out of 3 assignments used, quality = 0.96: * H GLU 91 + HB3 GLU 91 OK 96 100 - 96 - 4.0=83, 7239/1.8=30...(10) H ASN 121 - HB3 GLU 91 OK 25 96 - 26 - 2861/1.8=7, 2850/3.0=5...(8) H PHE 87 - HB3 GLU 91 OK 10 65 - 16 - 2883/3.0=4, 2876/3.0=4...(6) Peak 2870 from cnoeabs.peaks (3.98, 2.03, 28.84 ppm; 3.75 A): 1 out of 5 assignments used, quality = 1.00: * HA GLU 91 + HB3 GLU 91 OK 100 100 - 100 - 3.0=100 HB3 SER 94 - HB3 GLU 91 OK 27 73 - 37 - ~2858=14, 2862/1.8=6...(10) HB3 SER 51 - HB3 GLU 91 OK 25 100 - 25 - 2862/1.8=6, 2884/3.0=5...(9) HB3 SER 106 - HB3 GLU 91 lone 8 99 - 8 - 2862/1.8=2, 2877/3.0=1...(4) HA THR 65 - HB3 GLU 91 lone 1 57 - 2 - Peak 2871 from cnoeabs.peaks (1.99, 2.03, 28.84 ppm; 2.90 A): 1 out of 7 assignments used, quality = 1.00: * HB2 GLU 91 + HB3 GLU 91 OK 100 100 - 100 - 1.8=100 HB2 GLU 55 - HB3 GLU 91 OK 28 96 - 29 - 2878/3.0=4, 2885/3.0=4...(14) HB3 LEU 53 - HB3 GLU 91 lone 9 100 - 9 - 2852/3.0=1, 2885/3.0=1...(4) HG2 PRO 81 - HB3 GLU 91 lone 7 96 - 7 - 2852/3.0=1, 7252/4.6=1 HB ILE 129 - HB3 GLU 91 lone 6 73 - 8 - 7252/4.6=2 HB3 PRO 56 - HB3 GLU 91 lone 2 87 - 2 - HB VAL 20 - HB3 GLU 91 lone 1 81 - 2 - Peak 2872 from cnoeabs.peaks (2.03, 2.03, 28.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 91 + HB3 GLU 91 OK 100 100 - 100 Peak 2873 from cnoeabs.peaks (2.23, 2.03, 28.84 ppm; 3.37 A): 1 out of 8 assignments used, quality = 1.00: * HG2 GLU 91 + HB3 GLU 91 OK 100 100 - 100 - 3.0=100 HB3 GLU 128 - HB3 GLU 91 OK 21 99 - 21 - 2865/1.8=4, 3.0/2868=4...(7) HG2 GLN 68 - HB3 GLU 91 OK 17 96 - 17 - 2865/1.8=3, 2854/3.0=2...(5) HB3 LEU 96 - HB3 GLU 91 OK 12 65 - 18 - ~11307=3, ~9911=3...(8) HB2 GLN 68 - HB3 GLU 91 poor 10 73 - 13 - 2865/1.8=2, ~2865=1...(5) HB3 GLU 102 - HB3 GLU 91 lone 7 99 - 7 - 7254/4.6=1, 2865/1.8=1 HB3 GLN 127 - HB3 GLU 91 lone 7 100 - 7 - 2865/1.8=1, 2887/3.0=1 HB3 GLN 104 - HB3 GLU 91 lone 7 92 - 7 - 2854/3.0=1, 2865/1.8=1...(4) Peak 2874 from cnoeabs.peaks (2.11, 2.03, 28.84 ppm; 3.00 A): 1 out of 4 assignments used, quality = 0.99: * HG3 GLU 91 + HB3 GLU 91 OK 99 100 - 99 - 3.0=99, 2866/1.8=24...(9) HB VAL 126 - HB3 GLU 91 OK 31 96 - 33 - 2866/1.8=8, 2855/3.0=5...(11) HB3 GLN 61 - HB3 GLU 91 lone 4 73 - 5 - ~10985=1, 2866/1.8=1 HB VAL 112 - HB3 GLU 91 lone 1 65 - 2 - Peak 2875 from cnoeabs.peaks (7.82, 2.03, 28.84 ppm; 4.12 A): 1 out of 1 assignment used, quality = 0.94: * H ALA 92 + HB3 GLU 91 OK 94 100 - 94 - 4.6=71, 2867/1.8=39...(8) Peak 2876 from cnoeabs.peaks (8.13, 2.23, 35.02 ppm; 3.76 A): 3 out of 3 assignments used, quality = 0.93: * H GLU 91 + HG2 GLU 91 OK 90 100 - 90 - 4.7=50, 7242/1.8=27...(9) H ASN 121 + HG2 GLU 91 OK 20 96 - 21 - 2883/1.8=6, 2869/3.0=5...(5) H PHE 87 + HG2 GLU 91 OK 16 65 - 25 - 4.2/9918=13, 2883/1.8=5...(5) Peak 2877 from cnoeabs.peaks (3.98, 2.23, 35.02 ppm; 3.70 A): 1 out of 5 assignments used, quality = 0.98: * HA GLU 91 + HG2 GLU 91 OK 98 100 - 98 - 3.9=88, 2855/1.8=26...(13) HB3 SER 51 - HG2 GLU 91 OK 24 100 - 24 - 2884/1.8=6, 2.9/9916=5...(7) HB3 SER 94 - HG2 GLU 91 OK 18 73 - 25 - 3.0/9916=5, 2870/3.0=5...(8) HB3 SER 106 - HG2 GLU 91 lone 7 99 - 7 - 2884/1.8=2, 2862/3.0=1 HA THR 65 - HG2 GLU 91 lone 1 57 - 2 - Peak 2878 from cnoeabs.peaks (1.99, 2.23, 35.02 ppm; 3.14 A): 1 out of 7 assignments used, quality = 1.00: * HB2 GLU 91 + HG2 GLU 91 OK 100 100 - 100 - 3.0=100 HB2 GLU 55 - HG2 GLU 91 OK 27 96 - 29 - 2885/1.8=6, 2871/3.0=5...(11) HB3 LEU 53 - HG2 GLU 91 lone 9 100 - 9 - 2885/1.8=2, 2871/3.0=2 HG2 PRO 81 - HG2 GLU 91 lone 6 96 - 7 - 2885/1.8=2, 2871/3.0=1 HB ILE 129 - HG2 GLU 91 lone 6 73 - 8 - 2885/1.8=1, 7252/2882=1 HB3 PRO 56 - HG2 GLU 91 lone 2 87 - 2 - HB VAL 20 - HG2 GLU 91 lone 1 81 - 2 - Peak 2879 from cnoeabs.peaks (2.03, 2.23, 35.02 ppm; 3.14 A): 1 out of 7 assignments used, quality = 1.00: * HB3 GLU 91 + HG2 GLU 91 OK 100 100 - 100 - 3.0=100 HB3 GLU 55 - HG2 GLU 91 OK 18 65 - 28 - 1.8/2878=6, 2886/1.8=4...(11) HG3 ARG 135 - HG2 GLU 91 OK 14 100 - 14 - 2886/1.8=3, 2864/3.0=2...(5) HB3 GLU 40 - HG2 GLU 91 lone 6 98 - 6 - 2886/1.8=2, 2864/3.0=1 HG2 PRO 58 - HG2 GLU 91 lone 6 87 - 7 - 2886/1.8=1, 7240/4.7=1...(4) HB2 GLU 44 - HG2 GLU 91 lone 1 65 - 2 - QE MET 11 - HG2 GLU 91 lone 1 73 - 1 - Peak 2880 from cnoeabs.peaks (2.23, 2.23, 35.02 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 91 + HG2 GLU 91 OK 100 100 - 100 Peak 2881 from cnoeabs.peaks (2.11, 2.23, 35.02 ppm; 2.56 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLU 91 + HG2 GLU 91 OK 100 100 - 100 - 1.8=100 HB VAL 126 - HG2 GLU 91 OK 18 96 - 19 - 2866/3.0=4, 2874/3.0=4...(8) HB3 GLN 61 - HG2 GLU 91 lone 2 73 - 2 - HB VAL 112 - HG2 GLU 91 lone 1 65 - 1 - Peak 2882 from cnoeabs.peaks (7.82, 2.23, 35.02 ppm; 4.41 A): 1 out of 1 assignment used, quality = 0.89: * H ALA 92 + HG2 GLU 91 OK 89 100 - 89 - 2889/1.8=35, 2867/3.0=34...(10) Peak 2883 from cnoeabs.peaks (8.13, 2.11, 35.02 ppm; 3.88 A): 3 out of 3 assignments used, quality = 0.94: * H GLU 91 + HG3 GLU 91 OK 91 100 - 91 - 4.7=55, 2876/1.8=28...(9) H ASN 121 + HG3 GLU 91 OK 22 96 - 22 - 2876/1.8=6, 2869/3.0=6...(5) H PHE 87 + HG3 GLU 91 OK 18 65 - 27 - 4.2/9917=15, 2876/1.8=5...(6) Peak 2884 from cnoeabs.peaks (3.98, 2.11, 35.02 ppm; 3.69 A): 1 out of 5 assignments used, quality = 0.98: * HA GLU 91 + HG3 GLU 91 OK 98 100 - 98 - 3.9=88, 2854/1.8=25...(12) HB3 SER 51 - HG3 GLU 91 OK 24 100 - 24 - 2877/1.8=6, 2.9/9915=6...(6) HB3 SER 94 - HG3 GLU 91 OK 14 73 - 20 - 2870/3.0=5, 2862/3.0=5...(6) HB3 SER 106 - HG3 GLU 91 lone 7 99 - 6 - 2877/1.8=2, 2862/3.0=1 HA THR 65 - HG3 GLU 91 lone 1 57 - 2 - Peak 2885 from cnoeabs.peaks (1.99, 2.11, 35.02 ppm; 3.18 A): 1 out of 7 assignments used, quality = 1.00: * HB2 GLU 91 + HG3 GLU 91 OK 100 100 - 100 - 3.0=100 HB2 GLU 55 - HG3 GLU 91 OK 28 96 - 30 - 2878/1.8=6, 2871/3.0=5...(11) HB3 LEU 53 - HG3 GLU 91 OK 11 100 - 11 - 2878/1.8=2, 2871/3.0=2 HG2 PRO 81 - HG3 GLU 91 lone 8 96 - 8 - 2878/1.8=2, 2871/3.0=1 HB ILE 129 - HG3 GLU 91 lone 7 73 - 9 - 3.2/11638=2, 2878/1.8=1 HB3 PRO 56 - HG3 GLU 91 lone 2 87 - 2 - HB VAL 20 - HG3 GLU 91 lone 1 81 - 2 - Peak 2886 from cnoeabs.peaks (2.03, 2.11, 35.02 ppm; 3.10 A): 1 out of 7 assignments used, quality = 1.00: * HB3 GLU 91 + HG3 GLU 91 OK 100 100 - 100 - 3.0=100 HB3 GLU 55 - HG3 GLU 91 OK 17 65 - 27 - 1.8/2885=6, 2879/1.8=4...(11) HG3 ARG 135 - HG3 GLU 91 OK 12 100 - 12 - 2879/1.8=3, 2864/3.0=2 HB3 GLU 40 - HG3 GLU 91 lone 6 98 - 6 - 2879/1.8=2, 2864/3.0=1 HG2 PRO 58 - HG3 GLU 91 lone 6 87 - 7 - 2879/1.8=1, 7240/4.7=1...(4) HB2 GLU 44 - HG3 GLU 91 lone 1 65 - 2 - QE MET 11 - HG3 GLU 91 lone 1 73 - 1 - Peak 2887 from cnoeabs.peaks (2.23, 2.11, 35.02 ppm; 2.62 A): 1 out of 8 assignments used, quality = 1.00: * HG2 GLU 91 + HG3 GLU 91 OK 100 100 - 100 - 1.8=100 HB3 GLU 128 - HG3 GLU 91 OK 11 99 - 11 - 2865/3.0=2, 2873/3.0=2 HG2 GLN 68 - HG3 GLU 91 poor 10 96 - 10 - 2152/1.8=2, 2873/3.0=1...(4) HB3 LEU 96 - HG3 GLU 91 poor 7 65 - 10 - 3.0/9911=2, ~9914=2, 2873/3.0=1 HB2 GLN 68 - HG3 GLU 91 lone 6 73 - 8 - 2135/1.8=1 HB3 GLN 127 - HG3 GLU 91 lone 5 100 - 5 - 4.0/7809=1 HB3 GLU 102 - HG3 GLU 91 lone 4 99 - 4 - HB3 GLN 104 - HG3 GLU 91 lone 3 92 - 4 - Peak 2888 from cnoeabs.peaks (2.11, 2.11, 35.02 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 91 + HG3 GLU 91 OK 100 100 - 100 Peak 2889 from cnoeabs.peaks (7.82, 2.11, 35.02 ppm; 4.74 A): 1 out of 1 assignment used, quality = 0.94: * H ALA 92 + HG3 GLU 91 OK 94 100 - 94 - 2882/1.8=43, 2867/3.0=38...(9) Peak 2890 from cnoeabs.peaks (7.82, 4.05, 55.00 ppm; 3.99 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 92 + HA ALA 92 OK 100 100 - 100 - 2.9=100 Peak 2891 from cnoeabs.peaks (4.05, 4.05, 55.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 92 + HA ALA 92 OK 100 100 - 100 Peak 2892 from cnoeabs.peaks (1.43, 4.05, 55.00 ppm; 3.25 A): 1 out of 4 assignments used, quality = 1.00: * QB ALA 92 + HA ALA 92 OK 100 100 - 100 - 2.1=100 HG2 LYS 26 - HA ALA 92 lone 9 98 - 9 - 7257/2.9=2, ~11317=2, 7267/3.6=2 HG2 LYS 86 - HA ALA 92 lone 6 65 - 8 - ~9948=2, 7257/2.9=1 HG13 ILE 32 - HA ALA 92 lone 2 65 - 3 - Peak 2893 from cnoeabs.peaks (8.43, 4.05, 55.00 ppm; 5.36 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 93 + HA ALA 92 OK 100 100 - 100 - 3.6=100 H ALA 34 - HA ALA 92 OK 23 98 - 24 - 2902/4.9=8, 7258/2.9=5...(6) H ASN 13 - HA ALA 92 lone 9 99 - 9 - 2902/4.9=2, 7258/2.9=2 Peak 2894 from cnoeabs.peaks (7.71, 4.05, 55.00 ppm; 4.61 A): 1 out of 2 assignments used, quality = 0.84: * H LYS 95 + HA ALA 92 OK 84 100 - 84 - 7291=24, 7273/3.6=21...(13) H LEU 53 - HA ALA 92 lone 5 65 - 7 - 7273/3.6=1, 5.3/2895=1 Peak 2895 from cnoeabs.peaks (1.94, 4.05, 55.00 ppm; 4.00 A): 3 out of 5 assignments used, quality = 0.76: * HB2 LYS 95 + HA ALA 92 OK 48 100 - 48 - 4.0/2894=19, 2964=12...(6) HB3 LYS 95 + HA ALA 92 OK 47 98 - 48 - 4.0/2894=19, 2976=12...(6) HB3 PRO 81 + HA ALA 92 OK 14 73 - 20 - 2.3/11912=9, ~11316=4...(4) HG LEU 53 - HA ALA 92 lone 6 100 - 6 - 11907/11912=2, 7299/2894=2 HG2 PRO 113 - HA ALA 92 lone 1 92 - 1 - Peak 2896 from cnoeabs.peaks (1.94, 4.05, 55.00 ppm; 4.00 A): 3 out of 6 assignments used, quality = 0.77: * HB3 LYS 95 + HA ALA 92 OK 48 100 - 48 - 4.0/2894=19, 2976=12...(6) HB2 LYS 95 + HA ALA 92 OK 47 98 - 48 - 4.0/2894=19, 2964=12...(6) HB3 PRO 81 + HA ALA 92 OK 18 92 - 20 - 2.3/11912=9, ~11316=4...(4) HG LEU 53 - HA ALA 92 lone 5 96 - 5 - 7299/2894=2 HB2 PRO 58 - HA ALA 92 lone 4 65 - 7 - ~9949=3, ~7253=1 HG2 PRO 113 - HA ALA 92 lone 1 73 - 1 - Peak 2897 from cnoeabs.peaks (4.08, 1.43, 18.02 ppm; 3.34 A): 2 out of 2 assignments used, quality = 0.53: * HA PHE 89 + QB ALA 92 OK 45 100 - 46 - 7247/3.0=19, 2764=16...(8) HA GLN 104 + QB ALA 92 OK 14 98 - 14 - 7247/3.0=6, 7261/3.7=3...(5) Peak 2898 from cnoeabs.peaks (7.82, 1.43, 18.02 ppm; 3.28 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 92 + QB ALA 92 OK 100 100 - 100 - 3.0=100 Peak 2899 from cnoeabs.peaks (4.05, 1.43, 18.02 ppm; 3.14 A): 1 out of 6 assignments used, quality = 1.00: * HA ALA 92 + QB ALA 92 OK 100 100 - 100 - 2.1=100 HA LEU 96 - QB ALA 92 OK 17 87 - 19 - 7266/3.7=4, 7256/3.0=3...(8) HA GLU 102 - QB ALA 92 OK 14 98 - 15 - 3.7/11319=4, 3.0/11315=2...(6) HD3 PRO 81 - QB ALA 92 poor 6 57 - 11 - 2.3/11316=4, ~2896=1, ~2895=1 HA LEU 122 - QB ALA 92 lone 5 99 - 5 - ~7728=1, ~3868=1 HA GLU 44 - QB ALA 92 lone 4 100 - 4 - Peak 2900 from cnoeabs.peaks (1.43, 1.43, 18.02 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 92 + QB ALA 92 OK 100 100 - 100 Peak 2901 from cnoeabs.peaks (8.43, 1.43, 18.02 ppm; 4.00 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 93 + QB ALA 92 OK 100 100 - 100 - 3.7=100 H ALA 34 - QB ALA 92 OK 11 98 - 11 - 7258/3.0=4, 2893/2.1=4 H ASN 13 - QB ALA 92 lone 5 99 - 4 - 2893/2.1=1, 7258/3.0=1 Peak 2902 from cnoeabs.peaks (8.43, 3.25, 66.81 ppm; 5.69 A): 2 out of 3 assignments used, quality = 1.00: * H VAL 93 + HA VAL 93 OK 100 100 - 100 - 2.9=100 H ALA 34 + HA VAL 93 OK 58 98 - 59 - 2912/3.0=12, 2924/3.2=11...(12) H ASN 13 - HA VAL 93 OK 16 99 - 15 - 2912/3.0=3, 2918/3.2=3...(5) Peak 2903 from cnoeabs.peaks (3.25, 3.25, 66.81 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 93 + HA VAL 93 OK 100 100 - 100 Peak 2904 from cnoeabs.peaks (1.83, 3.25, 66.81 ppm; 6.80 A): 1 out of 5 assignments used, quality = 1.00: * HB VAL 93 + HA VAL 93 OK 100 100 - 100 - 3.0=100 HB2 LEU 100 - HA VAL 93 OK 25 87 - 29 - 2926/3.2=6, 2920/3.2=4...(10) HB3 LEU 123 - HA VAL 93 OK 22 85 - 26 - 11342/7293=8, 7281/3.6=6...(6) HB3 LYS 26 - HA VAL 93 OK 11 65 - 17 - ~7267=4, ~9970=2...(7) HB3 ARG 23 - HA VAL 93 OK 11 92 - 12 - 2920/3.2=2, 7269/2.9=2...(4) Peak 2905 from cnoeabs.peaks (0.29, 3.25, 66.81 ppm; 4.33 A): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 93 + HA VAL 93 OK 100 100 - 100 - 3.2=100 Peak 2906 from cnoeabs.peaks (0.75, 3.25, 66.81 ppm; 3.93 A): 3 out of 5 assignments used, quality = 1.00: * QG1 VAL 93 + HA VAL 93 OK 100 100 - 100 - 3.2=100 HG12 ILE 129 + HA VAL 93 OK 79 100 - 79 - 2.1/10461=32, ~10487=17...(16) QD2 LEU 96 + HA VAL 93 OK 74 100 - 75 - 11691=25, 5.1/7311=14...(18) QD2 LEU 43 - HA VAL 93 OK 32 92 - 35 - ~11324=9, ~11325=5...(11) QD2 LEU 103 - HA VAL 93 lone 2 65 - 4 - Peak 2907 from cnoeabs.peaks (7.99, 3.25, 66.81 ppm; 6.80 A): 1 out of 4 assignments used, quality = 1.00: * H SER 94 + HA VAL 93 OK 100 100 - 100 - 3.6=100 H LYS 36 - HA VAL 93 OK 38 96 - 39 - 2917/3.0=8, 2923/3.2=8...(9) H SER 51 - HA VAL 93 OK 18 73 - 25 - 2930/4.9=5, 7272/2.9=4...(9) H SER 38 - HA VAL 93 poor 9 57 - 16 - 7272/2.9=3, 2930/4.9=2...(7) Peak 2908 from cnoeabs.peaks (8.27, 3.25, 66.81 ppm; 5.79 A): 1 out of 3 assignments used, quality = 0.98: * H LEU 96 + HA VAL 93 OK 98 100 - 98 - 7311=43, 9983/3.2=35...(18) H ASP 131 - HA VAL 93 OK 34 96 - 35 - 7288/3.6=10...(9) H GLU 40 - HA VAL 93 OK 14 87 - 16 - 11327/3.2=3, 7288/3.6=3...(7) Peak 2909 from cnoeabs.peaks (1.38, 3.25, 66.81 ppm; 4.96 A): 2 out of 14 assignments used, quality = 0.94: * HB2 LEU 96 + HA VAL 93 OK 89 100 - 89 - 3.8/7311=30...(18) HB2 LEU 42 + HA VAL 93 OK 44 99 - 44 - ~9079=16, ~9080=16...(6) HG3 LYS 95 - HA VAL 93 OK 29 92 - 32 - 4.6/7293=18, ~9828=9...(4) HG2 LYS 95 - HA VAL 93 OK 25 81 - 32 - 4.6/7293=18, ~9828=9...(4) QB ALA 28 - HA VAL 93 OK 21 98 - 21 - ~10769=15, ~9963=5 HB3 LEU 100 - HA VAL 93 OK 21 100 - 21 - ~2926=4, 1.8/2904=3...(9) HG2 LYS 36 - HA VAL 93 OK 16 100 - 16 - 1006/3.6=10, 5.0/2907=4 HG3 LYS 26 - HA VAL 93 OK 11 100 - 11 - ~7267=3, ~9970=2, 3.0/2904=1 HG2 LYS 24 - HA VAL 93 lone 3 100 - 3 - QB ALA 29 - HA VAL 93 lone 2 100 - 2 - QB ALA 15 - HA VAL 93 lone 2 99 - 2 - QB ALA 110 - HA VAL 93 lone 2 99 - 2 - QB ALA 108 - HA VAL 93 lone 2 96 - 2 - QB ALA 109 - HA VAL 93 lone 1 73 - 2 - Peak 2910 from cnoeabs.peaks (2.23, 3.25, 66.81 ppm; 6.12 A): 1 out of 5 assignments used, quality = 0.97: * HB3 LEU 96 + HA VAL 93 OK 97 100 - 97 - 3.2/11691=39...(20) HB3 GLU 102 - HA VAL 93 OK 21 81 - 26 - 9973/3.2=4, 9926/2.9=4...(9) HG2 GLU 91 - HA VAL 93 OK 19 65 - 29 - 9926/2.9=10, 2882/9930=5...(8) HG2 GLN 68 - HA VAL 93 OK 13 92 - 14 - 9973/3.2=3, 9926/2.9=3...(6) HB3 GLN 127 - HA VAL 93 lone 5 57 - 9 - 9926/2.9=2, 4049/4.9=1...(4) Peak 2911 from cnoeabs.peaks (3.79, 1.83, 31.34 ppm; 4.63 A): 2 out of 2 assignments used, quality = 0.88: * HA ARG 90 + HB VAL 93 OK 86 100 - 86 - 9900/2.1=42, 2793=39...(7) HB2 SER 9 + HB VAL 93 OK 12 57 - 20 - 9953/2.1=5, ~9962=4...(6) Peak 2912 from cnoeabs.peaks (8.43, 1.83, 31.34 ppm; 4.03 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 93 + HB VAL 93 OK 100 100 - 100 - 4.0=100 H ALA 34 - HB VAL 93 OK 36 98 - 37 - 2918/2.1=10, 2924/2.1=9...(8) H ASN 13 - HB VAL 93 lone 9 99 - 8 - 2918/2.1=2, 2924/2.1=2...(4) Peak 2913 from cnoeabs.peaks (3.25, 1.83, 31.34 ppm; 5.03 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 93 + HB VAL 93 OK 100 100 - 100 - 3.0=100 HB3 HIS 10 - HB VAL 93 OK 32 96 - 33 - 2919/2.1=8, 2925/2.1=8...(7) Peak 2914 from cnoeabs.peaks (1.83, 1.83, 31.34 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB VAL 93 + HB VAL 93 OK 100 100 - 100 Peak 2915 from cnoeabs.peaks (0.29, 1.83, 31.34 ppm; 3.95 A): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 93 + HB VAL 93 OK 100 100 - 100 - 2.1=100 Peak 2916 from cnoeabs.peaks (0.75, 1.83, 31.34 ppm; 3.85 A): 3 out of 5 assignments used, quality = 1.00: * QG1 VAL 93 + HB VAL 93 OK 100 100 - 100 - 2.1=100 HG12 ILE 129 + HB VAL 93 OK 76 100 - 76 - ~10487=23, ~10461=15...(15) QD2 LEU 96 + HB VAL 93 OK 63 100 - 63 - 11691/3.0=19, ~9971=9...(14) QD2 LEU 43 - HB VAL 93 OK 33 92 - 36 - ~11324=10, ~11325=6...(10) QD2 LEU 103 - HB VAL 93 lone 2 65 - 3 - Peak 2917 from cnoeabs.peaks (7.99, 1.83, 31.34 ppm; 4.59 A): 1 out of 4 assignments used, quality = 0.99: * H SER 94 + HB VAL 93 OK 99 100 - 99 - 4.7=96, 7282/2.1=44...(10) H LYS 36 - HB VAL 93 OK 22 96 - 23 - 2929/2.1=7, 2923/2.1=7...(6) H SER 51 - HB VAL 93 poor 9 73 - 12 - 2923/2.1=3, 2929/2.1=2...(4) H SER 38 - HB VAL 93 lone 4 57 - 8 - 7272/4.0=2, 2923/2.1=1 Peak 2918 from cnoeabs.peaks (8.43, 0.29, 23.10 ppm; 3.45 A): 2 out of 3 assignments used, quality = 0.94: * H VAL 93 + QG2 VAL 93 OK 92 100 - 92 - 3.9=70, 7269/2.1=25...(11) H ALA 34 + QG2 VAL 93 OK 30 98 - 30 - 2924/2.1=7, 2912/2.1=7...(8) H ASN 13 - QG2 VAL 93 lone 7 99 - 7 - 2924/2.1=2, 2912/2.1=2 Peak 2919 from cnoeabs.peaks (3.25, 0.29, 23.10 ppm; 3.53 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 93 + QG2 VAL 93 OK 100 100 - 100 - 3.2=100 HB3 HIS 10 - QG2 VAL 93 OK 21 96 - 21 - 2925/2.1=5, 2913/2.1=4...(7) Peak 2920 from cnoeabs.peaks (1.83, 0.29, 23.10 ppm; 3.49 A): 1 out of 5 assignments used, quality = 1.00: * HB VAL 93 + QG2 VAL 93 OK 100 100 - 100 - 2.1=100 HB2 LEU 100 - QG2 VAL 93 OK 10 87 - 12 - 2926/2.1=4, 7269/3.9=1 HB3 LEU 123 - QG2 VAL 93 lone 7 85 - 8 - 7281/4.3=2, 2926/2.1=2...(4) HB3 ARG 23 - QG2 VAL 93 lone 5 92 - 5 - 2926/2.1=1 HB3 LYS 26 - QG2 VAL 93 lone 4 65 - 6 - 3.0/9970=1 Peak 2921 from cnoeabs.peaks (0.29, 0.29, 23.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 93 + QG2 VAL 93 OK 100 100 - 100 Peak 2922 from cnoeabs.peaks (0.75, 0.29, 23.10 ppm; 2.88 A): 3 out of 5 assignments used, quality = 1.00: * QG1 VAL 93 + QG2 VAL 93 OK 100 100 - 100 - 2.1=100 HG12 ILE 129 + QG2 VAL 93 OK 57 100 - 57 - 2.1/10487=20...(15) QD2 LEU 96 + QG2 VAL 93 OK 45 100 - 46 - 11691/3.2=9, 5.1/9983=5...(17) QD2 LEU 43 - QG2 VAL 93 OK 23 92 - 26 - ~11324=5, 3.2/11325=5...(11) QD2 LEU 103 - QG2 VAL 93 lone 1 65 - 2 - Peak 2923 from cnoeabs.peaks (7.99, 0.29, 23.10 ppm; 4.25 A): 1 out of 4 assignments used, quality = 0.99: * H SER 94 + QG2 VAL 93 OK 99 100 - 99 - 4.3=93, 3.6/7270=34...(12) H LYS 36 - QG2 VAL 93 OK 22 96 - 23 - 2929/2.1=6, 2917/2.1=5...(6) H SER 51 - QG2 VAL 93 poor 10 73 - 13 - 2929/2.1=2, 7272/3.9=2...(6) H SER 38 - QG2 VAL 93 lone 4 57 - 8 - 7272/3.9=2, 2929/2.1=1 Peak 2924 from cnoeabs.peaks (8.43, 0.75, 21.32 ppm; 3.77 A): 1 out of 3 assignments used, quality = 0.97: * H VAL 93 + QG1 VAL 93 OK 97 100 - 97 - 3.9=88, 7270/2.1=40...(8) H ALA 34 - QG1 VAL 93 OK 34 98 - 34 - 2.9/9974=9, 2918/2.1=9...(6) H ASN 13 - QG1 VAL 93 lone 8 99 - 7 - 2918/2.1=2, 2912/2.1=2...(4) Peak 2925 from cnoeabs.peaks (3.25, 0.75, 21.32 ppm; 3.55 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 93 + QG1 VAL 93 OK 100 100 - 100 - 3.2=100 HB3 HIS 10 - QG1 VAL 93 OK 19 96 - 20 - 2919/2.1=6, 2913/2.1=4...(6) Peak 2926 from cnoeabs.peaks (1.83, 0.75, 21.32 ppm; 3.24 A): 1 out of 5 assignments used, quality = 1.00: * HB VAL 93 + QG1 VAL 93 OK 100 100 - 100 - 2.1=100 HB2 LEU 100 - QG1 VAL 93 OK 15 87 - 17 - 4.6/11332=5...(4) HB3 LEU 123 - QG1 VAL 93 lone 6 85 - 7 - 7281/4.3=2, 2920/2.1=2...(4) HB3 ARG 23 - QG1 VAL 93 lone 4 92 - 4 - 2920/2.1=1 HB3 LYS 26 - QG1 VAL 93 lone 3 65 - 4 - Peak 2927 from cnoeabs.peaks (0.29, 0.75, 21.32 ppm; 2.88 A): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 93 + QG1 VAL 93 OK 100 100 - 100 - 2.1=100 Peak 2928 from cnoeabs.peaks (0.75, 0.75, 21.32 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 93 + QG1 VAL 93 OK 100 100 - 100 Peak 2929 from cnoeabs.peaks (7.99, 0.75, 21.32 ppm; 3.95 A): 1 out of 4 assignments used, quality = 0.95: * H SER 94 + QG1 VAL 93 OK 95 100 - 95 - 4.3=75, 7282/2.1=36...(11) H LYS 36 - QG1 VAL 93 OK 19 96 - 20 - 2923/2.1=5, 2917/2.1=5...(5) H SER 51 - QG1 VAL 93 lone 7 73 - 9 - 2923/2.1=2, 7272/3.9=2...(4) H SER 38 - QG1 VAL 93 lone 4 57 - 7 - 7272/3.9=1, 2923/2.1=1 Peak 2930 from cnoeabs.peaks (7.99, 4.23, 61.64 ppm; 3.64 A): 1 out of 4 assignments used, quality = 1.00: * H SER 94 + HA SER 94 OK 100 100 - 100 - 2.9=100 H LYS 36 - HA SER 94 OK 14 96 - 15 - 2939/3.0=2, ~973=2...(8) H SER 51 - HA SER 94 OK 14 73 - 19 - 7294/3.6=3, 2939/3.0=3...(7) H SER 38 - HA SER 94 poor 7 57 - 12 - 4.2/9004=4, 4.5/9003=3 Peak 2931 from cnoeabs.peaks (4.23, 4.23, 61.64 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 94 + HA SER 94 OK 100 100 - 100 Peak 2932 from cnoeabs.peaks (3.90, 4.23, 61.64 ppm; 3.74 A): 1 out of 9 assignments used, quality = 1.00: * HB2 SER 94 + HA SER 94 OK 100 100 - 100 - 3.0=100 HA3 GLY 75 - HA SER 94 lone 3 100 - 3 - HB3 SER 60 - HA SER 94 lone 3 87 - 3 - HB2 SER 60 - HA SER 94 lone 3 87 - 3 - HB2 SER 33 - HA SER 94 lone 3 65 - 4 - 7285/2.9=1 HA ALA 46 - HA SER 94 lone 3 81 - 3 - 7296/3.6=1 HA ALA 41 - HA SER 94 lone 2 81 - 3 - HA2 GLY 2 - HA SER 94 lone 1 65 - 1 - HA3 GLY 2 - HA SER 94 lone 1 65 - 1 - Peak 2933 from cnoeabs.peaks (3.97, 4.23, 61.64 ppm; 3.15 A): 1 out of 7 assignments used, quality = 1.00: * HB3 SER 94 + HA SER 94 OK 100 100 - 100 - 3.0=100 HA GLU 91 - HA SER 94 OK 18 73 - 25 - 2858/3.0=9, 7276/2.9=8...(7) HA GLN 127 - HA SER 94 OK 11 98 - 11 - 7286/2.9=2, 2942/3.0=1 HB3 SER 51 - HA SER 94 poor 7 65 - 11 - 7276/2.9=3, 7290/3.6=2...(4) HB2 SER 106 - HA SER 94 lone 5 87 - 6 - HB3 SER 106 - HA SER 94 lone 5 87 - 5 - HA THR 65 - HA SER 94 lone 3 99 - 2 - Peak 2934 from cnoeabs.peaks (7.71, 4.23, 61.64 ppm; 4.78 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 95 + HA SER 94 OK 100 100 - 100 - 3.6=100 H LEU 53 - HA SER 94 OK 16 65 - 25 - 2950/4.9=6, 2943/3.0=5...(6) Peak 2935 from cnoeabs.peaks (8.50, 4.23, 61.64 ppm; 4.78 A): 1 out of 1 assignment used, quality = 0.91: * H GLU 97 + HA SER 94 OK 91 100 - 91 - 7335/3.6=32, 4.0/2936=28...(12) Peak 2936 from cnoeabs.peaks (2.14, 4.23, 61.64 ppm; 4.07 A): 2 out of 2 assignments used, quality = 0.77: * HB2 GLU 97 + HA SER 94 OK 75 100 - 75 - 1.8/2937=33, 3117=23...(7) HB2 PRO 56 + HA SER 94 OK 10 99 - 10 - 3128/2937=3, 7345/2935=2...(5) Peak 2937 from cnoeabs.peaks (2.21, 4.23, 61.64 ppm; 3.65 A): 1 out of 5 assignments used, quality = 0.70: * HB3 GLU 97 + HA SER 94 OK 70 100 - 70 - 1.8/2936=27, 3125=25...(8) HB2 GLN 68 - HA SER 94 lone 8 98 - 8 - 2130/3.0=2, 9226/2.9=1 HB3 GLU 128 - HA SER 94 lone 5 65 - 7 - 9975/3.6=2, 9226/2.9=1 HB3 GLN 104 - HA SER 94 lone 4 87 - 5 - 9226/2.9=1, 9975/3.6=1 HB2 GLN 101 - HA SER 94 lone 3 57 - 6 - 3121/2936=1, 7346/2935=1 Peak 2938 from cnoeabs.peaks (3.98, 3.90, 62.72 ppm; 2.67 A): 2 out of 5 assignments used, quality = 0.81: HB3 SER 94 + HB2 SER 94 OK 73 73 - 100 - 1.8=100 * HA GLU 91 + HB2 SER 94 OK 28 100 - 28 - 2858=15, 2857/3.6=8...(7) HB3 SER 51 - HB2 SER 94 lone 6 100 - 6 - 7276/3.6=2, 7290/4.4=2 HB3 SER 106 - HB2 SER 94 lone 4 99 - 4 - HA THR 65 - HB2 SER 94 lone 1 57 - 1 - Peak 2939 from cnoeabs.peaks (7.99, 3.90, 62.72 ppm; 3.37 A): 2 out of 4 assignments used, quality = 0.91: * H SER 94 + HB2 SER 94 OK 90 100 - 90 - 3.6=80, 2945/1.8=30...(7) H SER 51 + HB2 SER 94 OK 10 73 - 14 - 2945/1.8=3, 2930/3.0=3...(6) H LYS 36 - HB2 SER 94 lone 7 96 - 8 - 2930/3.0=2, 2945/1.8=2 H SER 38 - HB2 SER 94 lone 2 57 - 4 - 2930/3.0=1 Peak 2940 from cnoeabs.peaks (4.23, 3.90, 62.72 ppm; 3.48 A): 1 out of 7 assignments used, quality = 1.00: * HA SER 94 + HB2 SER 94 OK 100 100 - 100 - 3.0=100 HA ALA 34 - HB2 SER 94 lone 7 73 - 9 - 7284/3.6=3, 2946/1.8=2...(4) HA ALA 28 - HB2 SER 94 lone 4 92 - 4 - 2946/1.8=1 HA ALA 29 - HB2 SER 94 lone 3 96 - 3 - HA SER 124 - HB2 SER 94 lone 2 73 - 3 - HB3 SER 38 - HB2 SER 94 lone 2 57 - 3 - HA GLU 30 - HB2 SER 94 lone 2 81 - 2 - Peak 2941 from cnoeabs.peaks (3.90, 3.90, 62.72 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 94 + HB2 SER 94 OK 100 100 - 100 Peak 2942 from cnoeabs.peaks (3.97, 3.90, 62.72 ppm; 2.67 A): 1 out of 7 assignments used, quality = 1.00: * HB3 SER 94 + HB2 SER 94 OK 100 100 - 100 - 1.8=100 HA GLU 91 - HB2 SER 94 OK 15 73 - 20 - 2858=9, 7276/3.6=5...(7) HA GLN 127 - HB2 SER 94 lone 7 98 - 7 - 2933/3.0=1, 7286/3.6=1 HB3 SER 51 - HB2 SER 94 lone 4 65 - 6 - 7276/3.6=1, 7290/4.4=1 HB3 SER 106 - HB2 SER 94 lone 3 87 - 4 - HB2 SER 106 - HB2 SER 94 lone 3 87 - 3 - HA THR 65 - HB2 SER 94 lone 1 99 - 1 - Peak 2943 from cnoeabs.peaks (7.71, 3.90, 62.72 ppm; 6.51 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 95 + HB2 SER 94 OK 100 100 - 100 - 4.4=100 H LEU 53 - HB2 SER 94 OK 39 65 - 59 - 3.7/11338=37...(8) Peak 2944 from cnoeabs.peaks (3.98, 3.97, 62.72 ppm; diagonal): 1 out of 1 assignment used, quality = 0.73: HB3 SER 94 + HB3 SER 94 OK 73 73 - 100 Reference assignment not found: HA GLU 91 - HB3 SER 94 Peak 2945 from cnoeabs.peaks (7.99, 3.97, 62.72 ppm; 3.30 A): 1 out of 4 assignments used, quality = 0.85: * H SER 94 + HB3 SER 94 OK 85 100 - 85 - 3.6=74, 7285/1.8=31...(4) H SER 51 - HB3 SER 94 poor 9 73 - 12 - 2939/1.8=3, 2930/3.0=2...(5) H LYS 36 - HB3 SER 94 lone 6 96 - 6 - 2930/3.0=2, 2939/1.8=2 H SER 38 - HB3 SER 94 lone 2 57 - 3 - 2930/3.0=1 Peak 2946 from cnoeabs.peaks (4.23, 3.97, 62.72 ppm; 3.26 A): 1 out of 7 assignments used, quality = 1.00: * HA SER 94 + HB3 SER 94 OK 100 100 - 100 - 3.0=100 HA ALA 34 - HB3 SER 94 lone 6 73 - 8 - 7284/3.6=2, 2940/1.8=2...(4) HA ALA 28 - HB3 SER 94 lone 3 92 - 3 - 2940/1.8=1 HA ALA 29 - HB3 SER 94 lone 3 96 - 3 - HA SER 124 - HB3 SER 94 lone 3 73 - 4 - HB3 SER 38 - HB3 SER 94 lone 2 57 - 3 - HA GLU 30 - HB3 SER 94 lone 1 81 - 2 - Peak 2947 from cnoeabs.peaks (3.90, 3.97, 62.72 ppm; 2.63 A): 1 out of 9 assignments used, quality = 1.00: * HB2 SER 94 + HB3 SER 94 OK 100 100 - 100 - 1.8=100 HA3 GLY 75 - HB3 SER 94 lone 1 100 - 1 - HB2 SER 60 - HB3 SER 94 lone 1 87 - 1 - HB3 SER 60 - HB3 SER 94 lone 1 87 - 1 - HA ALA 46 - HB3 SER 94 lone 1 81 - 1 - HB2 SER 33 - HB3 SER 94 lone 1 65 - 2 - HA ALA 41 - HB3 SER 94 lone 1 81 - 1 - HA2 GLY 2 - HB3 SER 94 lone 0 65 - 0 - HA3 GLY 2 - HB3 SER 94 lone 0 65 - 0 - Peak 2948 from cnoeabs.peaks (3.97, 3.97, 62.72 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 94 + HB3 SER 94 OK 100 100 - 100 Peak 2949 from cnoeabs.peaks (7.71, 3.97, 62.72 ppm; 4.45 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 95 + HB3 SER 94 OK 100 100 - 100 - 4.4=100 H LEU 53 - HB3 SER 94 OK 10 65 - 16 - 2943/1.8=4, 7287/3.6=4...(4) Peak 2950 from cnoeabs.peaks (7.71, 4.02, 59.62 ppm; 3.86 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 95 + HA LYS 95 OK 100 100 - 100 - 2.9=100 H LEU 53 - HA LYS 95 OK 29 65 - 44 - 4.3/11725=13...(15) Peak 2951 from cnoeabs.peaks (4.02, 4.02, 59.62 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 95 + HA LYS 95 OK 100 100 - 100 Peak 2952 from cnoeabs.peaks (1.94, 4.02, 59.62 ppm; 3.43 A): 3 out of 5 assignments used, quality = 1.00: * HB2 LYS 95 + HA LYS 95 OK 100 100 - 100 - 3.0=100 HB3 LYS 95 + HA LYS 95 OK 98 98 - 100 - 3.0=100 HG LEU 53 + HA LYS 95 OK 51 100 - 51 - 2.1/11725=18...(13) HG2 PRO 113 - HA LYS 95 lone 8 92 - 9 - ~3621=1, ~3581=1...(5) HB3 PRO 81 - HA LYS 95 lone 7 73 - 9 - ~11907=2, 7317/3.6=1 Peak 2953 from cnoeabs.peaks (1.94, 4.02, 59.62 ppm; 3.43 A): 3 out of 6 assignments used, quality = 1.00: * HB3 LYS 95 + HA LYS 95 OK 100 100 - 100 - 3.0=100 HB2 LYS 95 + HA LYS 95 OK 98 98 - 100 - 3.0=100 HG LEU 53 + HA LYS 95 OK 48 96 - 50 - 2.1/11725=18...(13) HB3 PRO 81 - HA LYS 95 lone 9 92 - 10 - ~11907=2, 7317/3.6=1 HG2 PRO 113 - HA LYS 95 lone 7 73 - 9 - ~3621=1, ~3581=1...(4) HB2 PRO 58 - HA LYS 95 lone 1 65 - 1 - Peak 2954 from cnoeabs.peaks (1.39, 4.02, 59.62 ppm; 3.92 A): 2 out of 15 assignments used, quality = 1.00: * HG2 LYS 95 + HA LYS 95 OK 100 100 - 100 - 3.9=98, 1.8/3000=15...(26) HG3 LYS 95 + HA LYS 95 OK 99 99 - 100 - 3.9=98, 1.8/2989=15...(26) HB2 LEU 96 - HA LYS 95 OK 35 81 - 43 - 4.4/11341=15, ~9980=8...(9) HG3 LYS 31 - HA LYS 95 OK 14 98 - 14 - 7327/3.6=2, 2.9/2957=1...(6) HG3 LYS 26 - HA LYS 95 lone 7 87 - 8 - HB3 LEU 100 - HA LYS 95 lone 7 73 - 9 - 3.0/2963=2, 7325/3.6=1...(5) HG2 LYS 24 - HA LYS 95 lone 5 73 - 6 - HG2 LYS 36 - HA LYS 95 lone 4 81 - 5 - 7302/2.9=2 QB ALA 28 - HA LYS 95 lone 4 96 - 4 - QB ALA 29 - HA LYS 95 lone 3 81 - 4 - HB2 LEU 42 - HA LYS 95 lone 3 65 - 4 - 7325/3.6=1 QB ALA 109 - HA LYS 95 lone 2 100 - 2 - QB ALA 108 - HA LYS 95 lone 2 98 - 2 - QB ALA 15 - HA LYS 95 lone 2 92 - 2 - QB ALA 110 - HA LYS 95 lone 2 92 - 2 - Peak 2955 from cnoeabs.peaks (1.39, 4.02, 59.62 ppm; 3.92 A): 2 out of 15 assignments used, quality = 1.00: * HG3 LYS 95 + HA LYS 95 OK 100 100 - 100 - 3.9=98, 1.8/2989=15...(27) HG2 LYS 95 + HA LYS 95 OK 99 99 - 100 - 3.9=98, 1.8/3000=15...(26) HB2 LEU 96 - HA LYS 95 OK 40 92 - 44 - 4.4/11341=15, 7325/3.6=8...(9) HG3 LYS 31 - HA LYS 95 OK 12 92 - 13 - 7327/3.6=2, 2.9/2957=1...(6) HB3 LEU 100 - HA LYS 95 lone 9 87 - 10 - 3.0/2963=2, 3056/4.9=2...(5) HG3 LYS 26 - HA LYS 95 lone 8 96 - 8 - HG2 LYS 24 - HA LYS 95 lone 6 87 - 6 - HG2 LYS 36 - HA LYS 95 lone 5 92 - 5 - 7302/2.9=2 HB2 LEU 42 - HA LYS 95 lone 4 81 - 5 - 3056/4.9=1, 7325/3.6=1 QB ALA 28 - HA LYS 95 lone 4 99 - 4 - QB ALA 29 - HA LYS 95 lone 4 92 - 4 - QB ALA 108 - HA LYS 95 lone 2 100 - 2 - QB ALA 15 - HA LYS 95 lone 2 98 - 2 - QB ALA 109 - HA LYS 95 lone 2 98 - 2 - QB ALA 110 - HA LYS 95 lone 2 98 - 2 - Peak 2956 from cnoeabs.peaks (1.65, 4.02, 59.62 ppm; 3.55 A): 3 out of 16 assignments used, quality = 0.99: * HD2 LYS 95 + HA LYS 95 OK 90 100 - 90 - 5.0=35, 1.8/3022=14...(34) HD3 LYS 95 + HA LYS 95 OK 82 92 - 90 - 5.0=35, 1.8/3011=14...(33) HB2 LEU 98 + HA LYS 95 OK 67 99 - 68 - 1.8/2963=20, 3.9/2961=17...(12) HB2 LEU 123 - HA LYS 95 OK 21 96 - 22 - ~11342=12, 7303/2.9=2...(6) HD3 LYS 31 - HA LYS 95 OK 10 87 - 12 - 2.9/2954=1, 7304/2.9=1 HD2 LYS 31 - HA LYS 95 poor 9 81 - 12 - 2.9/2954=1, 7304/2.9=1 HD3 LYS 26 - HA LYS 95 lone 7 96 - 7 - HD2 LYS 26 - HA LYS 95 lone 6 87 - 7 - HD3 LYS 24 - HA LYS 95 lone 5 87 - 6 - HD2 LYS 24 - HA LYS 95 lone 5 81 - 6 - HG LEU 62 - HA LYS 95 lone 3 87 - 3 - 10992/11724=1 HD2 LYS 86 - HA LYS 95 lone 2 92 - 2 - HD3 LYS 86 - HA LYS 95 lone 2 92 - 2 - HD2 LYS 19 - HA LYS 95 lone 2 92 - 2 - HD3 LYS 19 - HA LYS 95 lone 2 92 - 2 - QB ALA 88 - HA LYS 95 lone 1 81 - 2 - Peak 2957 from cnoeabs.peaks (1.66, 4.02, 59.62 ppm; 3.55 A): 3 out of 13 assignments used, quality = 0.99: * HD3 LYS 95 + HA LYS 95 OK 90 100 - 90 - 5.0=35, 1.8/3011=14...(34) HD2 LYS 95 + HA LYS 95 OK 82 92 - 90 - 5.0=35, 1.8/3022=14...(34) HB2 LEU 98 + HA LYS 95 OK 53 81 - 65 - 1.8/2963=20, 3.9/2961=17...(12) HB2 LEU 123 - HA LYS 95 OK 13 65 - 20 - ~11342=12, 7303/2.9=2 HD2 LYS 31 - HA LYS 95 OK 13 99 - 13 - 7304/2.9=1, 2.9/2954=1 HD3 LYS 31 - HA LYS 95 OK 13 100 - 13 - 7304/2.9=1, 2.9/2954=1 HD2 LYS 26 - HA LYS 95 lone 8 100 - 8 - HD3 LYS 26 - HA LYS 95 lone 8 100 - 8 - HD2 LYS 24 - HA LYS 95 lone 6 99 - 6 - HD3 LYS 24 - HA LYS 95 lone 6 100 - 6 - HD2 LYS 86 - HA LYS 95 lone 2 100 - 2 - HD3 LYS 86 - HA LYS 95 lone 2 100 - 2 - QB ALA 88 - HA LYS 95 lone 2 99 - 2 - Peak 2958 from cnoeabs.peaks (2.88, 4.02, 59.62 ppm; 5.70 A): 2 out of 3 assignments used, quality = 1.00: HE3 LYS 95 + HA LYS 95 OK 99 100 - 99 - 6.4=70, 3.0/3022=21...(29) * HE2 LYS 95 + HA LYS 95 OK 99 100 - 99 - 6.4=70, 3.0/3022=21...(29) HB3 ASN 59 - HA LYS 95 lone 8 92 - 8 - 7306/2.9=2 Peak 2959 from cnoeabs.peaks (2.88, 4.02, 59.62 ppm; 5.70 A): 2 out of 3 assignments used, quality = 1.00: * HE3 LYS 95 + HA LYS 95 OK 99 100 - 99 - 6.4=70, 3.0/3022=21...(29) HE2 LYS 95 + HA LYS 95 OK 99 100 - 99 - 6.4=70, 3.0/3022=21...(29) HB3 ASN 59 - HA LYS 95 lone 8 92 - 8 - 7306/2.9=2 Peak 2960 from cnoeabs.peaks (8.27, 4.02, 59.62 ppm; 4.37 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 96 + HA LYS 95 OK 100 100 - 100 - 3.6=100 H ASP 131 - HA LYS 95 OK 28 96 - 30 - 7307/2.9=7, 3054/4.9=5...(12) H GLU 40 - HA LYS 95 OK 19 87 - 22 - 3054/4.9=4, 7307/2.9=3...(11) Peak 2961 from cnoeabs.peaks (7.74, 4.02, 59.62 ppm; 4.32 A): 1 out of 1 assignment used, quality = 0.86: * H LEU 98 + HA LYS 95 OK 86 100 - 86 - 7353=25, 7331/3.6=24...(15) Peak 2962 from cnoeabs.peaks (1.65, 4.02, 59.62 ppm; 3.55 A): 3 out of 17 assignments used, quality = 0.99: HD2 LYS 95 + HA LYS 95 OK 90 99 - 90 - 5.0=35, 1.8/3022=14...(34) HD3 LYS 95 + HA LYS 95 OK 72 81 - 89 - 5.0=35, 1.8/3011=14...(33) * HB2 LEU 98 + HA LYS 95 OK 68 100 - 68 - 1.8/2963=20, 3.9/2961=17...(12) HB2 LEU 123 - HA LYS 95 OK 22 99 - 22 - ~11342=12, 7303/2.9=2...(6) HD3 LYS 31 - HA LYS 95 poor 8 73 - 11 - 2.9/2954=1 HD2 LYS 31 - HA LYS 95 poor 7 65 - 11 - 2.9/2954=1 HD3 LYS 26 - HA LYS 95 lone 6 87 - 7 - HD2 LYS 26 - HA LYS 95 lone 5 73 - 7 - HD3 LYS 24 - HA LYS 95 lone 4 73 - 5 - HD2 LYS 24 - HA LYS 95 lone 4 65 - 5 - HG LEU 62 - HA LYS 95 lone 3 96 - 4 - 10992/11724=1 HG LEU 43 - HA LYS 95 lone 3 65 - 4 - ~9980=3 HD3 LYS 19 - HA LYS 95 lone 2 98 - 2 - HD2 LYS 19 - HA LYS 95 lone 2 98 - 2 - HD3 LYS 86 - HA LYS 95 lone 2 81 - 2 - HD2 LYS 86 - HA LYS 95 lone 2 81 - 2 - QB ALA 88 - HA LYS 95 lone 1 65 - 1 - Peak 2963 from cnoeabs.peaks (1.78, 4.02, 59.62 ppm; 3.99 A): 3 out of 5 assignments used, quality = 0.81: * HB3 LEU 98 + HA LYS 95 OK 75 100 - 76 - 3167=24, 3.9/2961=22...(17) HB2 LEU 48 + HA LYS 95 OK 13 96 - 14 - 7364/2961=3...(7) HB3 LEU 103 + HA LYS 95 OK 12 73 - 16 - 1.8/3372=2, 3.1/3405=2...(6) HG LEU 100 - HA LYS 95 lone 7 73 - 10 - 9998/11341=2...(3) HB3 LEU 122 - HA LYS 95 lone 5 65 - 8 - 1.8/3866=1 Peak 2964 from cnoeabs.peaks (4.05, 1.94, 32.34 ppm; 3.87 A): 4 out of 12 assignments used, quality = 0.91: * HA ALA 92 + HB2 LYS 95 OK 53 100 - 53 - 2895=19, 2894/4.0=18...(6) HA ALA 92 + HB3 LYS 95 OK 46 87 - 53 - 2895=18, 2894/4.0=18...(6) HA LEU 96 + HB2 LYS 95 OK 44 87 - 51 - 2.9/7316=12, 7291/4.0=8...(16) HA LEU 96 + HB3 LYS 95 OK 35 70 - 51 - 2.9/7316=12, 7291/4.0=8...(16) HD3 PRO 81 - HB2 LYS 95 poor 8 57 - 15 - 4.0/11174=4, 3.6/11907=3...(4) HA LEU 122 - HB2 LYS 95 lone 6 99 - 6 - 7291/4.0=1 HD3 PRO 81 - HB3 LYS 95 poor 5 44 - 12 - 4.0/11174=4, 7324/4.6=2...(4) HA LEU 122 - HB3 LYS 95 lone 5 85 - 6 - 7291/4.0=1 HA GLU 102 - HB2 LYS 95 lone 5 98 - 5 - 7310/4.6=2, 7291/4.0=2 HA GLU 102 - HB3 LYS 95 lone 4 83 - 5 - 7310/4.6=2, 7291/4.0=2 HA GLU 44 - HB2 LYS 95 lone 2 100 - 2 - HA GLU 44 - HB3 LYS 95 lone 2 86 - 2 - Peak 2965 from cnoeabs.peaks (7.71, 1.94, 32.34 ppm; 4.38 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 95 + HB2 LYS 95 OK 100 100 - 100 - 4.0=100 H LYS 95 + HB3 LYS 95 OK 87 87 - 100 - 4.0=100 H LEU 53 - HB2 LYS 95 OK 37 65 - 56 - 2950/3.0=8, 3.0/1640=6...(20) H LEU 53 - HB3 LYS 95 OK 28 50 - 55 - 2950/3.0=8, 3.0/1640=6...(20) Peak 2966 from cnoeabs.peaks (4.02, 1.94, 32.34 ppm; 3.70 A): 2 out of 16 assignments used, quality = 1.00: * HA LYS 95 + HB2 LYS 95 OK 100 100 - 100 - 3.0=100 HA LYS 95 + HB3 LYS 95 OK 87 87 - 100 - 3.0=100 HA ILE 37 - HB2 LYS 95 OK 15 100 - 15 - 7298/4.0=3, ~10911=2...(7) HA ILE 37 - HB3 LYS 95 OK 13 86 - 15 - 7298/4.0=3, ~10911=2...(7) HA LEU 103 - HB2 LYS 95 OK 10 98 - 10 - 7298/4.0=1, 7315/4.6=1, ~2963=1 HA LEU 103 - HB3 LYS 95 poor 9 83 - 10 - 7298/4.0=1, 7315/4.6=1, ~2963=1 HA ARG 135 - HB2 LYS 95 lone 8 99 - 8 - 7298/4.0=1 HB2 SER 38 - HB2 LYS 95 lone 8 92 - 9 - 7298/4.0=2, 7315/4.6=2 HA ARG 135 - HB3 LYS 95 lone 7 85 - 8 - 7298/4.0=1 HB2 SER 38 - HB3 LYS 95 lone 7 75 - 9 - 7298/4.0=2, 7315/4.6=2 HA LEU 119 - HB2 LYS 95 lone 3 87 - 4 - HA LEU 119 - HB3 LYS 95 lone 3 70 - 4 - HA SER 60 - HB2 LYS 95 lone 1 57 - 2 - HA SER 60 - HB3 LYS 95 lone 1 44 - 2 - HB3 SER 124 - HB2 LYS 95 lone 1 57 - 2 - HB3 SER 124 - HB3 LYS 95 lone 1 44 - 2 - Peak 2967 from cnoeabs.peaks (1.94, 1.94, 32.34 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 LYS 95 + HB2 LYS 95 OK 100 100 - 100 HB3 LYS 95 + HB3 LYS 95 OK 83 83 - 100 Peak 2968 from cnoeabs.peaks (1.94, 1.94, 32.34 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB2 LYS 95 + HB2 LYS 95 OK 98 98 - 100 HB3 LYS 95 + HB3 LYS 95 OK 87 87 - 100 Reference assignment not found: HB3 LYS 95 - HB2 LYS 95 Peak 2969 from cnoeabs.peaks (1.39, 1.94, 32.34 ppm; 3.84 A): 4 out of 30 assignments used, quality = 1.00: * HG2 LYS 95 + HB2 LYS 95 OK 100 100 - 100 - 3.0=100 HG3 LYS 95 + HB2 LYS 95 OK 99 99 - 100 - 3.0=100 HG2 LYS 95 + HB3 LYS 95 OK 87 87 - 100 - 3.0=100 HG3 LYS 95 + HB3 LYS 95 OK 85 85 - 100 - 3.0=100 HB2 LEU 96 - HB2 LYS 95 OK 28 81 - 35 - 3.8/7316=10, 3.0/2964=6...(13) HB2 LEU 96 - HB3 LYS 95 OK 22 64 - 34 - 3.8/7316=10, 3.0/2964=5...(13) HG3 LYS 31 - HB2 LYS 95 OK 18 98 - 18 - 7327/4.6=2, 6346/10829=2...(5) HG3 LYS 31 - HB3 LYS 95 OK 15 83 - 18 - 7327/4.6=2, 6346/10829=2...(5) HG3 LYS 26 - HB2 LYS 95 lone 8 87 - 9 - HG3 LYS 26 - HB3 LYS 95 lone 6 70 - 9 - HG2 LYS 24 - HB2 LYS 95 lone 5 73 - 7 - HB3 LEU 100 - HB2 LYS 95 lone 4 73 - 6 - HG2 LYS 24 - HB3 LYS 95 lone 4 57 - 7 - HB3 LEU 100 - HB3 LYS 95 lone 3 57 - 6 - HG2 LYS 36 - HB2 LYS 95 lone 3 81 - 4 - 7302/4.0=2 HB2 LEU 42 - HB2 LYS 95 lone 3 65 - 4 - HG2 LYS 36 - HB3 LYS 95 lone 3 64 - 4 - 7302/4.0=2 QB ALA 28 - HB2 LYS 95 lone 2 96 - 2 - HB2 LEU 42 - HB3 LYS 95 lone 2 50 - 4 - QB ALA 29 - HB2 LYS 95 lone 2 81 - 3 - QB ALA 28 - HB3 LYS 95 lone 2 79 - 2 - QB ALA 109 - HB2 LYS 95 lone 2 100 - 2 - QB ALA 108 - HB2 LYS 95 lone 2 98 - 2 - QB ALA 29 - HB3 LYS 95 lone 2 64 - 3 - QB ALA 109 - HB3 LYS 95 lone 2 86 - 2 - QB ALA 15 - HB2 LYS 95 lone 2 92 - 2 - QB ALA 110 - HB2 LYS 95 lone 1 92 - 1 - QB ALA 108 - HB3 LYS 95 lone 1 83 - 2 - QB ALA 15 - HB3 LYS 95 lone 1 75 - 2 - QB ALA 110 - HB3 LYS 95 lone 1 75 - 1 - Peak 2970 from cnoeabs.peaks (1.39, 1.94, 32.34 ppm; 3.84 A): 4 out of 30 assignments used, quality = 1.00: * HG3 LYS 95 + HB2 LYS 95 OK 100 100 - 100 - 3.0=100 HG2 LYS 95 + HB2 LYS 95 OK 99 99 - 100 - 3.0=100 HG3 LYS 95 + HB3 LYS 95 OK 87 87 - 100 - 3.0=100 HG2 LYS 95 + HB3 LYS 95 OK 85 85 - 100 - 3.0=100 HB2 LEU 96 - HB2 LYS 95 OK 32 92 - 35 - 3.8/7316=10, 3.0/2964=6...(13) HB2 LEU 96 - HB3 LYS 95 OK 26 75 - 34 - 3.8/7316=10, 3.0/2964=5...(13) HG3 LYS 31 - HB2 LYS 95 OK 16 92 - 17 - 6346/10829=1, ~826=1...(5) HG3 LYS 31 - HB3 LYS 95 OK 13 75 - 17 - ~826=1, 6346/10829=1...(5) HG3 LYS 26 - HB2 LYS 95 lone 9 96 - 9 - HG3 LYS 26 - HB3 LYS 95 lone 7 79 - 9 - HG2 LYS 24 - HB2 LYS 95 lone 6 87 - 7 - HB3 LEU 100 - HB2 LYS 95 lone 5 87 - 6 - 7325/4.6=1 HG2 LYS 24 - HB3 LYS 95 lone 5 70 - 7 - HB3 LEU 100 - HB3 LYS 95 lone 4 70 - 6 - 7325/4.6=1 HG2 LYS 36 - HB2 LYS 95 lone 4 92 - 4 - 7302/4.0=2 HB2 LEU 42 - HB2 LYS 95 lone 4 81 - 5 - HG2 LYS 36 - HB3 LYS 95 lone 3 75 - 4 - 7302/4.0=2 HB2 LEU 42 - HB3 LYS 95 lone 3 64 - 5 - QB ALA 29 - HB2 LYS 95 lone 2 92 - 3 - QB ALA 28 - HB2 LYS 95 lone 2 99 - 2 - QB ALA 28 - HB3 LYS 95 lone 2 85 - 2 - QB ALA 29 - HB3 LYS 95 lone 2 75 - 3 - QB ALA 108 - HB2 LYS 95 lone 2 100 - 2 - QB ALA 15 - HB2 LYS 95 lone 2 98 - 2 - QB ALA 109 - HB2 LYS 95 lone 2 98 - 2 - QB ALA 110 - HB2 LYS 95 lone 2 98 - 1 - QB ALA 108 - HB3 LYS 95 lone 1 86 - 2 - QB ALA 15 - HB3 LYS 95 lone 1 83 - 2 - QB ALA 109 - HB3 LYS 95 lone 1 83 - 2 - QB ALA 110 - HB3 LYS 95 lone 1 83 - 1 - Peak 2971 from cnoeabs.peaks (1.65, 1.94, 32.34 ppm; 3.67 A): 4 out of 32 assignments used, quality = 1.00: * HD2 LYS 95 + HB2 LYS 95 OK 100 100 - 100 - 3.7=100 HD3 LYS 95 + HB2 LYS 95 OK 92 92 - 100 - 3.7=100 HD2 LYS 95 + HB3 LYS 95 OK 87 87 - 100 - 3.7=100 HD3 LYS 95 + HB3 LYS 95 OK 75 75 - 100 - 3.7=100 HB2 LEU 98 - HB2 LYS 95 OK 43 99 - 44 - 3158/3.0=11, ~2963=10...(9) HB2 LEU 98 - HB3 LYS 95 OK 37 85 - 44 - 3158/3.0=11, ~2963=10...(9) HD3 LYS 31 - HB2 LYS 95 OK 14 87 - 16 - HD2 LYS 31 - HB2 LYS 95 OK 13 81 - 16 - HD3 LYS 31 - HB3 LYS 95 OK 11 70 - 16 - HD2 LYS 31 - HB3 LYS 95 OK 10 64 - 16 - HD3 LYS 26 - HB2 LYS 95 lone 9 96 - 9 - HD2 LYS 26 - HB2 LYS 95 lone 8 87 - 9 - HD3 LYS 26 - HB3 LYS 95 lone 7 79 - 9 - HD3 LYS 24 - HB2 LYS 95 lone 6 87 - 7 - HD2 LYS 26 - HB3 LYS 95 lone 6 70 - 9 - HB2 LEU 123 - HB2 LYS 95 lone 6 96 - 6 - 2962/3.0=2, 7303/4.0=2 HD2 LYS 24 - HB2 LYS 95 lone 6 81 - 7 - HB2 LEU 123 - HB3 LYS 95 lone 5 79 - 6 - 2962/3.0=2, 7303/4.0=2 HD3 LYS 24 - HB3 LYS 95 lone 5 70 - 7 - HD2 LYS 24 - HB3 LYS 95 lone 5 64 - 7 - HD3 LYS 86 - HB2 LYS 95 lone 2 92 - 3 - HD2 LYS 86 - HB2 LYS 95 lone 2 92 - 3 - HD2 LYS 86 - HB3 LYS 95 lone 2 75 - 2 - HD3 LYS 86 - HB3 LYS 95 lone 2 75 - 2 - HD3 LYS 19 - HB2 LYS 95 lone 2 92 - 2 - HD2 LYS 19 - HB2 LYS 95 lone 2 92 - 2 - HG LEU 62 - HB2 LYS 95 lone 2 87 - 2 - HD2 LYS 19 - HB3 LYS 95 lone 1 75 - 2 - HD3 LYS 19 - HB3 LYS 95 lone 1 75 - 2 - QB ALA 88 - HB2 LYS 95 lone 1 81 - 2 - HG LEU 62 - HB3 LYS 95 lone 1 70 - 2 - QB ALA 88 - HB3 LYS 95 lone 1 64 - 2 - Peak 2972 from cnoeabs.peaks (1.66, 1.94, 32.34 ppm; 3.67 A): 4 out of 26 assignments used, quality = 1.00: * HD3 LYS 95 + HB2 LYS 95 OK 100 100 - 100 - 3.7=100 HD2 LYS 95 + HB2 LYS 95 OK 92 92 - 100 - 3.7=100 HD3 LYS 95 + HB3 LYS 95 OK 87 87 - 100 - 3.7=100 HD2 LYS 95 + HB3 LYS 95 OK 75 75 - 100 - 3.7=100 HB2 LEU 98 - HB2 LYS 95 OK 33 81 - 41 - ~2963=10, ~3167=8...(9) HB2 LEU 98 - HB3 LYS 95 OK 26 64 - 41 - ~2963=10, ~3167=8...(9) HD2 LYS 31 - HB2 LYS 95 OK 17 99 - 17 - 2957/3.0=1, 2995/3.0=1 HD3 LYS 31 - HB2 LYS 95 OK 17 100 - 17 - 2957/3.0=1, 2995/3.0=1 HD3 LYS 31 - HB3 LYS 95 OK 15 86 - 17 - 2957/3.0=1, 2995/3.0=1 HD2 LYS 31 - HB3 LYS 95 OK 15 85 - 17 - 2957/3.0=1, 2995/3.0=1 HD2 LYS 26 - HB2 LYS 95 lone 9 100 - 9 - HD3 LYS 26 - HB2 LYS 95 lone 9 100 - 9 - HD2 LYS 26 - HB3 LYS 95 lone 8 86 - 9 - HD3 LYS 26 - HB3 LYS 95 lone 8 86 - 9 - HD2 LYS 24 - HB2 LYS 95 lone 8 99 - 7 - HD3 LYS 24 - HB2 LYS 95 lone 7 100 - 7 - HD3 LYS 24 - HB3 LYS 95 lone 6 86 - 7 - HD2 LYS 24 - HB3 LYS 95 lone 6 85 - 7 - HB2 LEU 123 - HB2 LYS 95 lone 4 65 - 5 - 7303/4.0=2, 2956/3.0=2 HD3 LYS 86 - HB2 LYS 95 lone 3 100 - 3 - HD2 LYS 86 - HB2 LYS 95 lone 3 100 - 3 - HB2 LEU 123 - HB3 LYS 95 lone 3 50 - 5 - 7303/4.0=2, 2956/3.0=2 HD2 LYS 86 - HB3 LYS 95 lone 3 87 - 3 - HD3 LYS 86 - HB3 LYS 95 lone 3 87 - 3 - QB ALA 88 - HB2 LYS 95 lone 2 99 - 2 - QB ALA 88 - HB3 LYS 95 lone 2 85 - 2 - Peak 2973 from cnoeabs.peaks (2.88, 1.94, 32.34 ppm; 5.65 A): 4 out of 6 assignments used, quality = 1.00: * HE2 LYS 95 + HB2 LYS 95 OK 100 100 - 100 - 5.3=100 HE3 LYS 95 + HB2 LYS 95 OK 100 100 - 100 - 5.3=100 HE3 LYS 95 + HB3 LYS 95 OK 87 87 - 100 - 5.3=100 HE2 LYS 95 + HB3 LYS 95 OK 87 87 - 100 - 5.3=100 HB3 ASN 59 - HB2 LYS 95 lone 7 92 - 7 - 2958/3.0=1, 7305/4.0=1 HB3 ASN 59 - HB3 LYS 95 lone 5 75 - 7 - 2958/3.0=1, 7305/4.0=1 Peak 2974 from cnoeabs.peaks (2.88, 1.94, 32.34 ppm; 5.65 A): 4 out of 6 assignments used, quality = 1.00: HE2 LYS 95 + HB2 LYS 95 OK 100 100 - 100 - 5.3=100 * HE3 LYS 95 + HB2 LYS 95 OK 100 100 - 100 - 5.3=100 HE3 LYS 95 + HB3 LYS 95 OK 87 87 - 100 - 5.3=100 HE2 LYS 95 + HB3 LYS 95 OK 87 87 - 100 - 5.3=100 HB3 ASN 59 - HB2 LYS 95 lone 7 92 - 7 - 2958/3.0=1, 7305/4.0=1 HB3 ASN 59 - HB3 LYS 95 lone 5 75 - 7 - 2958/3.0=1, 7305/4.0=1 Peak 2975 from cnoeabs.peaks (8.27, 1.94, 32.34 ppm; 4.90 A): 2 out of 6 assignments used, quality = 1.00: * H LEU 96 + HB2 LYS 95 OK 100 100 - 100 - 4.6=100 H LEU 96 + HB3 LYS 95 OK 87 87 - 100 - 4.6=100 H ASP 131 - HB2 LYS 95 OK 31 96 - 32 - 2960/3.0=7, 7307/4.0=7...(9) H ASP 131 - HB3 LYS 95 OK 26 79 - 33 - 2960/3.0=7, 7307/4.0=7...(9) H GLU 40 - HB2 LYS 95 OK 17 87 - 19 - 2960/3.0=5, 7307/4.0=3...(8) H GLU 40 - HB3 LYS 95 OK 13 70 - 19 - 2960/3.0=5, 7307/4.0=3...(8) Peak 2976 from cnoeabs.peaks (4.05, 1.94, 32.34 ppm; 3.88 A): 4 out of 12 assignments used, quality = 0.91: * HA ALA 92 + HB3 LYS 95 OK 53 100 - 53 - 2894/4.0=18, 2896=18...(6) HA ALA 92 + HB2 LYS 95 OK 46 87 - 53 - 2895=18, 2894/4.0=18...(6) HA LEU 96 + HB3 LYS 95 OK 44 87 - 51 - 2.9/7317=12, 7291/4.0=8...(17) HA LEU 96 + HB2 LYS 95 OK 35 70 - 51 - 2.9/7317=12, 7291/4.0=8...(17) HD3 PRO 81 - HB3 LYS 95 poor 8 57 - 13 - 4.0/11350=5, 1.8/11193=2...(4) HA LEU 122 - HB3 LYS 95 lone 6 99 - 6 - 7291/4.0=1 HD3 PRO 81 - HB2 LYS 95 poor 6 44 - 14 - 4.0/11174=4, 7324/4.6=2...(5) HA LEU 122 - HB2 LYS 95 lone 5 85 - 6 - 7291/4.0=1 HA GLU 102 - HB3 LYS 95 lone 5 98 - 5 - 7310/4.6=2, 7291/4.0=2 HA GLU 102 - HB2 LYS 95 lone 4 83 - 5 - 7310/4.6=2, 7291/4.0=2 HA GLU 44 - HB3 LYS 95 lone 2 100 - 2 - HA GLU 44 - HB2 LYS 95 lone 2 86 - 2 - Peak 2977 from cnoeabs.peaks (7.71, 1.94, 32.34 ppm; 4.35 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 95 + HB3 LYS 95 OK 100 100 - 100 - 4.0=100 H LYS 95 + HB2 LYS 95 OK 87 87 - 100 - 4.0=100 H LEU 53 - HB3 LYS 95 OK 36 65 - 54 - 2950/3.0=8, 3.3/9234=6...(21) H LEU 53 - HB2 LYS 95 OK 28 50 - 55 - 2950/3.0=8, 3.0/1640=6...(21) Peak 2978 from cnoeabs.peaks (4.02, 1.94, 32.34 ppm; 3.68 A): 2 out of 16 assignments used, quality = 1.00: * HA LYS 95 + HB3 LYS 95 OK 100 100 - 100 - 3.0=100 HA LYS 95 + HB2 LYS 95 OK 87 87 - 100 - 3.0=100 HA ILE 37 - HB3 LYS 95 OK 15 100 - 15 - 7298/4.0=3, ~10911=2...(7) HA ILE 37 - HB2 LYS 95 OK 13 86 - 15 - 7298/4.0=3, ~10911=2...(7) HA LEU 103 - HB3 LYS 95 OK 10 98 - 10 - 7298/4.0=1, 7315/4.6=1, ~2963=1 HA LEU 103 - HB2 LYS 95 poor 8 83 - 10 - 7298/4.0=1, 7315/4.6=1, ~2963=1 HA ARG 135 - HB3 LYS 95 lone 8 99 - 8 - 7298/4.0=1 HB2 SER 38 - HB3 LYS 95 lone 8 92 - 9 - 7298/4.0=2, 7315/4.6=2 HA ARG 135 - HB2 LYS 95 lone 7 85 - 8 - 7298/4.0=1 HB2 SER 38 - HB2 LYS 95 lone 7 75 - 9 - 7298/4.0=2, 7315/4.6=2 HA LEU 119 - HB3 LYS 95 lone 3 87 - 4 - HA LEU 119 - HB2 LYS 95 lone 3 70 - 4 - HA SER 60 - HB3 LYS 95 lone 1 57 - 2 - HA SER 60 - HB2 LYS 95 lone 1 44 - 2 - HB3 SER 124 - HB3 LYS 95 lone 1 57 - 2 - HB3 SER 124 - HB2 LYS 95 lone 1 44 - 2 - Peak 2979 from cnoeabs.peaks (1.94, 1.94, 32.34 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 LYS 95 + HB3 LYS 95 OK 98 98 - 100 HB2 LYS 95 + HB2 LYS 95 OK 87 87 - 100 Reference assignment not found: HB2 LYS 95 - HB3 LYS 95 Peak 2980 from cnoeabs.peaks (1.94, 1.94, 32.34 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 95 + HB3 LYS 95 OK 100 100 - 100 HB2 LYS 95 + HB2 LYS 95 OK 83 83 - 100 Peak 2981 from cnoeabs.peaks (1.39, 1.94, 32.34 ppm; 3.88 A): 4 out of 30 assignments used, quality = 1.00: * HG2 LYS 95 + HB3 LYS 95 OK 100 100 - 100 - 3.0=100 HG3 LYS 95 + HB3 LYS 95 OK 99 99 - 100 - 3.0=100 HG2 LYS 95 + HB2 LYS 95 OK 87 87 - 100 - 3.0=100 HG3 LYS 95 + HB2 LYS 95 OK 85 85 - 100 - 3.0=100 HB2 LEU 96 - HB3 LYS 95 OK 29 81 - 36 - 3.8/7317=10, 3.0/2976=6...(13) HB2 LEU 96 - HB2 LYS 95 OK 22 64 - 35 - 3.8/7317=10, 3.0/2976=5...(13) HG3 LYS 31 - HB3 LYS 95 OK 18 98 - 18 - 7327/4.6=2, ~826=1...(5) HG3 LYS 31 - HB2 LYS 95 OK 15 83 - 18 - 7327/4.6=2, 6346/10829=1...(5) HG3 LYS 26 - HB3 LYS 95 lone 8 87 - 9 - HG3 LYS 26 - HB2 LYS 95 lone 7 70 - 9 - HG2 LYS 24 - HB3 LYS 95 lone 5 73 - 7 - HB3 LEU 100 - HB3 LYS 95 lone 5 73 - 6 - HG2 LYS 24 - HB2 LYS 95 lone 4 57 - 7 - HB3 LEU 100 - HB2 LYS 95 lone 4 57 - 6 - HG2 LYS 36 - HB3 LYS 95 lone 3 81 - 4 - 7302/4.0=2 HB2 LEU 42 - HB3 LYS 95 lone 3 65 - 4 - HG2 LYS 36 - HB2 LYS 95 lone 3 64 - 4 - 7302/4.0=2 QB ALA 28 - HB3 LYS 95 lone 2 96 - 2 - HB2 LEU 42 - HB2 LYS 95 lone 2 50 - 4 - QB ALA 29 - HB3 LYS 95 lone 2 81 - 3 - QB ALA 28 - HB2 LYS 95 lone 2 79 - 2 - QB ALA 109 - HB3 LYS 95 lone 2 100 - 2 - QB ALA 108 - HB3 LYS 95 lone 2 98 - 2 - QB ALA 29 - HB2 LYS 95 lone 2 64 - 3 - QB ALA 109 - HB2 LYS 95 lone 2 86 - 2 - QB ALA 15 - HB3 LYS 95 lone 2 92 - 2 - QB ALA 108 - HB2 LYS 95 lone 1 83 - 2 - QB ALA 110 - HB3 LYS 95 lone 1 92 - 1 - QB ALA 15 - HB2 LYS 95 lone 1 75 - 2 - QB ALA 110 - HB2 LYS 95 lone 1 75 - 1 - Peak 2982 from cnoeabs.peaks (1.39, 1.94, 32.34 ppm; 3.88 A): 4 out of 30 assignments used, quality = 1.00: * HG3 LYS 95 + HB3 LYS 95 OK 100 100 - 100 - 3.0=100 HG2 LYS 95 + HB3 LYS 95 OK 99 99 - 100 - 3.0=100 HG3 LYS 95 + HB2 LYS 95 OK 87 87 - 100 - 3.0=100 HG2 LYS 95 + HB2 LYS 95 OK 85 85 - 100 - 3.0=100 HB2 LEU 96 - HB3 LYS 95 OK 33 92 - 36 - 3.8/7317=10, 3.0/2976=6...(13) HB2 LEU 96 - HB2 LYS 95 OK 26 75 - 35 - 3.8/7317=10, 3.0/2976=5...(13) HG3 LYS 31 - HB3 LYS 95 OK 16 92 - 18 - ~826=1, 2954/3.0=1...(5) HG3 LYS 31 - HB2 LYS 95 OK 13 75 - 17 - ~826=1, 6346/10829=1...(5) HG3 LYS 26 - HB3 LYS 95 lone 9 96 - 9 - HG3 LYS 26 - HB2 LYS 95 lone 7 79 - 9 - HG2 LYS 24 - HB3 LYS 95 lone 6 87 - 7 - HB3 LEU 100 - HB3 LYS 95 lone 6 87 - 6 - 7325/4.6=1 HG2 LYS 24 - HB2 LYS 95 lone 5 70 - 7 - HB3 LEU 100 - HB2 LYS 95 lone 4 70 - 6 - 7325/4.6=1 HG2 LYS 36 - HB3 LYS 95 lone 4 92 - 4 - 7302/4.0=2 HB2 LEU 42 - HB3 LYS 95 lone 4 81 - 5 - HG2 LYS 36 - HB2 LYS 95 lone 3 75 - 4 - 7302/4.0=2 HB2 LEU 42 - HB2 LYS 95 lone 3 64 - 5 - QB ALA 29 - HB3 LYS 95 lone 3 92 - 3 - QB ALA 28 - HB3 LYS 95 lone 2 99 - 2 - QB ALA 28 - HB2 LYS 95 lone 2 85 - 2 - QB ALA 29 - HB2 LYS 95 lone 2 75 - 3 - QB ALA 109 - HB3 LYS 95 lone 2 98 - 2 - QB ALA 108 - HB3 LYS 95 lone 2 100 - 2 - QB ALA 15 - HB3 LYS 95 lone 2 98 - 2 - QB ALA 110 - HB3 LYS 95 lone 2 98 - 1 - QB ALA 108 - HB2 LYS 95 lone 1 86 - 2 - QB ALA 15 - HB2 LYS 95 lone 1 83 - 2 - QB ALA 109 - HB2 LYS 95 lone 1 83 - 2 - QB ALA 110 - HB2 LYS 95 lone 1 83 - 1 - Peak 2983 from cnoeabs.peaks (1.65, 1.94, 32.34 ppm; 3.58 A): 4 out of 32 assignments used, quality = 1.00: * HD2 LYS 95 + HB3 LYS 95 OK 99 100 - 99 - 3.7=94, 3012/1.8=12...(39) HD3 LYS 95 + HB3 LYS 95 OK 91 92 - 99 - 3.7=94, 1.8/3013=12...(39) HD2 LYS 95 + HB2 LYS 95 OK 86 87 - 99 - 3.7=94, 3013/1.8=12...(39) HD3 LYS 95 + HB2 LYS 95 OK 74 75 - 99 - 3.7=94, 1.8/3013=12...(39) HB2 LEU 98 - HB3 LYS 95 OK 41 99 - 42 - 3158/3.0=10, ~2963=10...(9) HB2 LEU 98 - HB2 LYS 95 OK 35 85 - 42 - 3158/3.0=10, ~2963=10...(9) HD3 LYS 31 - HB3 LYS 95 OK 13 87 - 15 - HD2 LYS 31 - HB3 LYS 95 OK 13 81 - 16 - HD3 LYS 31 - HB2 LYS 95 OK 11 70 - 15 - HD2 LYS 31 - HB2 LYS 95 poor 10 64 - 15 - HD3 LYS 26 - HB3 LYS 95 lone 8 96 - 8 - HD2 LYS 26 - HB3 LYS 95 lone 7 87 - 8 - HD3 LYS 26 - HB2 LYS 95 lone 7 79 - 8 - HD3 LYS 24 - HB3 LYS 95 lone 6 87 - 6 - HD2 LYS 26 - HB2 LYS 95 lone 6 70 - 8 - HB2 LEU 123 - HB3 LYS 95 lone 6 96 - 6 - 2962/3.0=2, 7303/4.0=2 HD2 LYS 24 - HB3 LYS 95 lone 5 81 - 7 - HB2 LEU 123 - HB2 LYS 95 lone 5 79 - 6 - 2962/3.0=2, 7303/4.0=2 HD3 LYS 24 - HB2 LYS 95 lone 5 70 - 6 - HD2 LYS 24 - HB2 LYS 95 lone 4 64 - 6 - HD3 LYS 86 - HB3 LYS 95 lone 2 92 - 2 - HD2 LYS 86 - HB3 LYS 95 lone 2 92 - 2 - HD2 LYS 86 - HB2 LYS 95 lone 2 75 - 2 - HD3 LYS 86 - HB2 LYS 95 lone 2 75 - 2 - HD2 LYS 19 - HB3 LYS 95 lone 2 92 - 2 - HD3 LYS 19 - HB3 LYS 95 lone 2 92 - 2 - HG LEU 62 - HB3 LYS 95 lone 1 87 - 2 - HD2 LYS 19 - HB2 LYS 95 lone 1 75 - 2 - HD3 LYS 19 - HB2 LYS 95 lone 1 75 - 2 - HG LEU 62 - HB2 LYS 95 lone 1 70 - 2 - QB ALA 88 - HB3 LYS 95 lone 1 81 - 1 - QB ALA 88 - HB2 LYS 95 lone 1 64 - 1 - Peak 2984 from cnoeabs.peaks (1.66, 1.94, 32.34 ppm; 3.58 A): 4 out of 26 assignments used, quality = 1.00: * HD3 LYS 95 + HB3 LYS 95 OK 99 100 - 99 - 3.7=94, 3023/1.8=12...(39) HD2 LYS 95 + HB3 LYS 95 OK 91 92 - 99 - 3.7=94, 1.8/3024=12...(39) HD3 LYS 95 + HB2 LYS 95 OK 86 87 - 99 - 3.7=94, 3024/1.8=12...(39) HD2 LYS 95 + HB2 LYS 95 OK 74 75 - 99 - 3.7=94, 1.8/3024=12...(39) HB2 LEU 98 - HB3 LYS 95 OK 31 81 - 39 - ~2963=10, ~3167=8...(9) HB2 LEU 98 - HB2 LYS 95 OK 25 64 - 39 - ~2963=10, ~3167=8...(9) HD2 LYS 31 - HB3 LYS 95 OK 16 99 - 16 - 2957/3.0=1, 2995/3.0=1 HD3 LYS 31 - HB3 LYS 95 OK 16 100 - 16 - 2957/3.0=1, 2995/3.0=1 HD3 LYS 31 - HB2 LYS 95 OK 14 86 - 16 - 2957/3.0=1, 2995/3.0=1 HD2 LYS 31 - HB2 LYS 95 OK 14 85 - 16 - 2957/3.0=1, 2995/3.0=1 HD2 LYS 26 - HB3 LYS 95 lone 9 100 - 9 - HD3 LYS 26 - HB3 LYS 95 lone 9 100 - 9 - HD2 LYS 26 - HB2 LYS 95 lone 8 86 - 9 - HD3 LYS 26 - HB2 LYS 95 lone 8 86 - 8 - HD2 LYS 24 - HB3 LYS 95 lone 7 99 - 7 - HD3 LYS 24 - HB3 LYS 95 lone 7 100 - 7 - HD3 LYS 24 - HB2 LYS 95 lone 6 86 - 7 - HD2 LYS 24 - HB2 LYS 95 lone 6 85 - 7 - HB2 LEU 123 - HB3 LYS 95 lone 3 65 - 5 - 7303/4.0=2, 2956/3.0=2 HD2 LYS 86 - HB3 LYS 95 lone 3 100 - 3 - HD3 LYS 86 - HB3 LYS 95 lone 3 100 - 3 - HB2 LEU 123 - HB2 LYS 95 lone 3 50 - 5 - 7303/4.0=2, 2956/3.0=2 HD3 LYS 86 - HB2 LYS 95 lone 2 87 - 3 - HD2 LYS 86 - HB2 LYS 95 lone 2 87 - 3 - QB ALA 88 - HB3 LYS 95 lone 2 99 - 2 - QB ALA 88 - HB2 LYS 95 lone 2 85 - 2 - Peak 2985 from cnoeabs.peaks (2.88, 1.94, 32.34 ppm; 6.12 A): 4 out of 6 assignments used, quality = 1.00: * HE2 LYS 95 + HB3 LYS 95 OK 100 100 - 100 - 5.3=100 HE3 LYS 95 + HB3 LYS 95 OK 100 100 - 100 - 5.3=100 HE3 LYS 95 + HB2 LYS 95 OK 87 87 - 100 - 5.3=100 HE2 LYS 95 + HB2 LYS 95 OK 87 87 - 100 - 5.3=100 HB3 ASN 59 - HB3 LYS 95 lone 9 92 - 9 - 2958/3.0=1, 7305/4.0=1 HB3 ASN 59 - HB2 LYS 95 lone 6 75 - 8 - 2958/3.0=1, 7305/4.0=1 Peak 2986 from cnoeabs.peaks (2.88, 1.94, 32.34 ppm; 6.12 A): 4 out of 6 assignments used, quality = 1.00: HE2 LYS 95 + HB3 LYS 95 OK 100 100 - 100 - 5.3=100 * HE3 LYS 95 + HB3 LYS 95 OK 100 100 - 100 - 5.3=100 HE3 LYS 95 + HB2 LYS 95 OK 87 87 - 100 - 5.3=100 HE2 LYS 95 + HB2 LYS 95 OK 87 87 - 100 - 5.3=100 HB3 ASN 59 - HB3 LYS 95 lone 9 92 - 9 - 2958/3.0=1, 7305/4.0=1 HB3 ASN 59 - HB2 LYS 95 lone 6 75 - 8 - 2958/3.0=1, 7305/4.0=1 Peak 2987 from cnoeabs.peaks (8.27, 1.94, 32.34 ppm; 5.02 A): 2 out of 6 assignments used, quality = 1.00: * H LEU 96 + HB3 LYS 95 OK 100 100 - 100 - 4.6=100 H LEU 96 + HB2 LYS 95 OK 87 87 - 100 - 4.6=100 H ASP 131 - HB3 LYS 95 OK 33 96 - 34 - 2960/3.0=7, 7307/4.0=7...(10) H ASP 131 - HB2 LYS 95 OK 27 79 - 34 - 2960/3.0=7, 7307/4.0=7...(9) H GLU 40 - HB3 LYS 95 OK 17 87 - 20 - 2960/3.0=5, 7307/4.0=3...(8) H GLU 40 - HB2 LYS 95 OK 14 70 - 20 - 2960/3.0=5, 7307/4.0=3...(8) Peak 2988 from cnoeabs.peaks (7.71, 1.39, 25.61 ppm; 3.98 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 95 + HG2 LYS 95 OK 96 100 - 96 - 4.6=65, 3021/2.9=15...(30) H LYS 95 + HG3 LYS 95 OK 92 96 - 96 - 4.6=65, 3021/2.9=15...(30) H LEU 53 - HG2 LYS 95 OK 15 65 - 24 - 2950/3.9=5, 2965/3.0=4...(9) H LEU 53 - HG3 LYS 95 OK 14 58 - 23 - 2950/3.9=5, 2965/3.0=4...(9) Peak 2989 from cnoeabs.peaks (4.02, 1.39, 25.61 ppm; 3.62 A): 2 out of 16 assignments used, quality = 1.00: * HA LYS 95 + HG2 LYS 95 OK 95 100 - 95 - 3.9=77, 2954/1.8=11...(26) HA LYS 95 + HG3 LYS 95 OK 91 96 - 95 - 3.9=77, 2954/1.8=11...(26) HA ILE 37 - HG2 LYS 95 OK 14 100 - 14 - 3.2/10911=2, 7298/4.6=2...(6) HA ILE 37 - HG3 LYS 95 OK 14 95 - 15 - ~10911=3, 7298/4.6=2...(6) HA LEU 103 - HG2 LYS 95 lone 8 98 - 8 - 7298/4.6=1, 2978/3.0=1 HA LEU 103 - HG3 LYS 95 lone 7 92 - 8 - 7298/4.6=1, 2978/3.0=1 HB2 SER 38 - HG2 LYS 95 lone 6 92 - 7 - 7298/4.6=2 HA ARG 135 - HG2 LYS 95 lone 6 99 - 6 - HB2 SER 38 - HG3 LYS 95 lone 6 84 - 7 - 7298/4.6=2 HA ARG 135 - HG3 LYS 95 lone 5 94 - 6 - HA LEU 119 - HG2 LYS 95 lone 3 87 - 3 - HA LEU 119 - HG3 LYS 95 lone 2 79 - 3 - HA SER 60 - HG2 LYS 95 lone 1 57 - 2 - HA SER 60 - HG3 LYS 95 lone 1 51 - 2 - HB3 SER 124 - HG2 LYS 95 lone 1 57 - 1 - HB3 SER 124 - HG3 LYS 95 lone 1 51 - 1 - Peak 2990 from cnoeabs.peaks (1.94, 1.39, 25.61 ppm; 3.45 A): 4 out of 10 assignments used, quality = 1.00: * HB2 LYS 95 + HG2 LYS 95 OK 100 100 - 100 - 3.0=100 HB3 LYS 95 + HG2 LYS 95 OK 98 98 - 100 - 3.0=100 HB2 LYS 95 + HG3 LYS 95 OK 96 96 - 100 - 3.0=100 HB3 LYS 95 + HG3 LYS 95 OK 92 92 - 100 - 3.0=100 HG LEU 53 - HG2 LYS 95 OK 19 100 - 19 - 2952/3.9=4, 1662/4.6=4...(6) HG LEU 53 - HG3 LYS 95 OK 18 95 - 19 - 2952/3.9=4, 1662/4.6=4...(6) HG2 PRO 113 - HG2 LYS 95 lone 7 92 - 7 - ~3621=1, ~3581=1...(5) HG2 PRO 113 - HG3 LYS 95 lone 6 84 - 7 - ~3621=1, ~3581=1...(5) HB3 PRO 81 - HG2 LYS 95 lone 5 73 - 6 - ~11907=2 HB3 PRO 81 - HG3 LYS 95 lone 4 66 - 6 - ~11907=2 Peak 2991 from cnoeabs.peaks (1.94, 1.39, 25.61 ppm; 3.45 A): 4 out of 12 assignments used, quality = 1.00: * HB3 LYS 95 + HG2 LYS 95 OK 100 100 - 100 - 3.0=100 HB2 LYS 95 + HG2 LYS 95 OK 98 98 - 100 - 3.0=100 HB3 LYS 95 + HG3 LYS 95 OK 96 96 - 100 - 3.0=100 HB2 LYS 95 + HG3 LYS 95 OK 92 92 - 100 - 3.0=100 HG LEU 53 - HG2 LYS 95 OK 17 96 - 18 - 2952/3.9=4, 1662/4.6=4...(6) HG LEU 53 - HG3 LYS 95 OK 16 89 - 18 - 2952/3.9=4, 1662/4.6=4...(6) HB3 PRO 81 - HG2 LYS 95 lone 6 92 - 6 - ~11907=2 HB3 PRO 81 - HG3 LYS 95 lone 5 84 - 6 - ~11907=2 HG2 PRO 113 - HG2 LYS 95 lone 5 73 - 7 - ~3621=1, ~3581=1...(5) HG2 PRO 113 - HG3 LYS 95 lone 5 66 - 7 - ~3621=1, ~3581=1...(5) HB2 PRO 58 - HG2 LYS 95 lone 2 65 - 3 - 4.3/9349=2 HB2 PRO 58 - HG3 LYS 95 lone 2 58 - 3 - 4.3/9349=2 Peak 2992 from cnoeabs.peaks (1.39, 1.39, 25.61 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 LYS 95 + HG2 LYS 95 OK 100 100 - 100 HG3 LYS 95 + HG3 LYS 95 OK 94 94 - 100 Peak 2993 from cnoeabs.peaks (1.39, 1.39, 25.61 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG2 LYS 95 + HG2 LYS 95 OK 99 99 - 100 HG3 LYS 95 + HG3 LYS 95 OK 96 96 - 100 Reference assignment not found: HG3 LYS 95 - HG2 LYS 95 Peak 2994 from cnoeabs.peaks (1.65, 1.39, 25.61 ppm; 2.78 A): 4 out of 32 assignments used, quality = 1.00: * HD2 LYS 95 + HG2 LYS 95 OK 92 100 - 92 - 2.9=85, 3013/3.0=5...(25) HD2 LYS 95 + HG3 LYS 95 OK 88 96 - 92 - 2.9=85, 3013/3.0=5...(25) HD3 LYS 95 + HG2 LYS 95 OK 84 92 - 91 - 2.9=85, 3024/3.0=5...(25) HD3 LYS 95 + HG3 LYS 95 OK 77 84 - 91 - 2.9=85, 3024/3.0=5...(25) HB2 LEU 98 - HG2 LYS 95 OK 13 99 - 13 - 3158/3.9=5, 7303/4.6=2...(5) HD3 LYS 31 - HG2 LYS 95 OK 13 87 - 15 - 2.9/826=1, 3.5/804=1 HB2 LEU 98 - HG3 LYS 95 OK 12 94 - 13 - 3158/3.9=5, 7303/4.6=2...(5) HD2 LYS 31 - HG2 LYS 95 OK 12 81 - 15 - 2.9/826=1, 3.5/804=1 HD3 LYS 31 - HG3 LYS 95 OK 11 79 - 14 - 2.9/826=1 HD2 LYS 31 - HG3 LYS 95 OK 11 73 - 14 - 2.9/826=1 HD3 LYS 26 - HG2 LYS 95 lone 6 96 - 6 - HD3 LYS 26 - HG3 LYS 95 lone 6 89 - 6 - HD2 LYS 26 - HG2 LYS 95 lone 5 87 - 6 - HD2 LYS 26 - HG3 LYS 95 lone 5 79 - 6 - HD3 LYS 24 - HG2 LYS 95 lone 4 87 - 5 - HD2 LYS 24 - HG2 LYS 95 lone 4 81 - 5 - HD3 LYS 24 - HG3 LYS 95 lone 4 79 - 5 - HD2 LYS 24 - HG3 LYS 95 lone 4 73 - 5 - HB2 LEU 123 - HG2 LYS 95 lone 3 96 - 3 - HB2 LEU 123 - HG3 LYS 95 lone 3 89 - 3 - HD3 LYS 86 - HG2 LYS 95 lone 1 92 - 1 - HD2 LYS 86 - HG2 LYS 95 lone 1 92 - 1 - HD3 LYS 19 - HG2 LYS 95 lone 1 92 - 1 - HD2 LYS 19 - HG2 LYS 95 lone 1 92 - 1 - HD3 LYS 86 - HG3 LYS 95 lone 1 84 - 1 - HD2 LYS 86 - HG3 LYS 95 lone 1 84 - 1 - HD2 LYS 19 - HG3 LYS 95 lone 1 84 - 1 - HD3 LYS 19 - HG3 LYS 95 lone 1 84 - 1 - HG LEU 62 - HG2 LYS 95 lone 1 87 - 1 - HG LEU 62 - HG3 LYS 95 lone 1 79 - 1 - QB ALA 88 - HG2 LYS 95 lone 1 81 - 1 - QB ALA 88 - HG3 LYS 95 lone 0 73 - 1 - Peak 2995 from cnoeabs.peaks (1.66, 1.39, 25.61 ppm; 2.78 A): 4 out of 26 assignments used, quality = 1.00: * HD3 LYS 95 + HG2 LYS 95 OK 92 100 - 92 - 2.9=85, 3024/3.0=5...(25) HD3 LYS 95 + HG3 LYS 95 OK 88 96 - 92 - 2.9=85, 3024/3.0=5...(25) HD2 LYS 95 + HG2 LYS 95 OK 84 92 - 91 - 2.9=85, 3013/3.0=5...(25) HD2 LYS 95 + HG3 LYS 95 OK 77 84 - 91 - 2.9=85, 3013/3.0=5...(25) HD3 LYS 31 - HG2 LYS 95 OK 16 100 - 15 - 2.9/826=1, 3.5/804=1 HD2 LYS 31 - HG2 LYS 95 OK 16 99 - 16 - 2.9/826=1, 3.5/804=1 HD3 LYS 31 - HG3 LYS 95 OK 14 95 - 15 - 2.9/826=1 HD2 LYS 31 - HG3 LYS 95 OK 14 94 - 15 - 2.9/826=1 HB2 LEU 98 - HG2 LYS 95 poor 9 81 - 11 - 3158/3.9=3, 7303/4.6=1 HB2 LEU 98 - HG3 LYS 95 poor 8 73 - 11 - 3158/3.9=3, 7303/4.6=1 HD2 LYS 26 - HG2 LYS 95 lone 7 100 - 6 - HD3 LYS 26 - HG2 LYS 95 lone 7 100 - 6 - HD2 LYS 26 - HG3 LYS 95 lone 6 95 - 6 - HD3 LYS 26 - HG3 LYS 95 lone 6 95 - 6 - HD3 LYS 24 - HG2 LYS 95 lone 6 100 - 5 - HD2 LYS 24 - HG2 LYS 95 lone 5 99 - 5 - HD3 LYS 24 - HG3 LYS 95 lone 5 95 - 5 - HD2 LYS 24 - HG3 LYS 95 lone 5 94 - 5 - HB2 LEU 123 - HG2 LYS 95 lone 2 65 - 3 - HB2 LEU 123 - HG3 LYS 95 lone 2 58 - 3 - HD3 LYS 86 - HG2 LYS 95 lone 1 100 - 1 - HD2 LYS 86 - HG2 LYS 95 lone 1 100 - 1 - HD2 LYS 86 - HG3 LYS 95 lone 1 96 - 1 - HD3 LYS 86 - HG3 LYS 95 lone 1 96 - 1 - QB ALA 88 - HG2 LYS 95 lone 1 99 - 1 - QB ALA 88 - HG3 LYS 95 lone 1 94 - 1 - Peak 2996 from cnoeabs.peaks (2.88, 1.39, 25.61 ppm; 3.81 A): 4 out of 6 assignments used, quality = 1.00: * HE2 LYS 95 + HG2 LYS 95 OK 100 100 - 100 - 3.7=100 HE3 LYS 95 + HG2 LYS 95 OK 100 100 - 100 - 3.7=100 HE3 LYS 95 + HG3 LYS 95 OK 96 96 - 100 - 3.7=100 HE2 LYS 95 + HG3 LYS 95 OK 96 96 - 100 - 3.7=100 HB3 ASN 59 - HG2 LYS 95 lone 7 92 - 7 - 4.0/9349=3, 3.5/9346=1 HB3 ASN 59 - HG3 LYS 95 lone 6 84 - 7 - 4.0/9349=3, 3.5/9346=1 Peak 2997 from cnoeabs.peaks (2.88, 1.39, 25.61 ppm; 3.81 A): 4 out of 6 assignments used, quality = 1.00: HE2 LYS 95 + HG2 LYS 95 OK 100 100 - 100 - 3.7=100 * HE3 LYS 95 + HG2 LYS 95 OK 100 100 - 100 - 3.7=100 HE3 LYS 95 + HG3 LYS 95 OK 96 96 - 100 - 3.7=100 HE2 LYS 95 + HG3 LYS 95 OK 96 96 - 100 - 3.7=100 HB3 ASN 59 - HG2 LYS 95 lone 7 92 - 7 - 4.0/9349=3, 3.5/9346=1 HB3 ASN 59 - HG3 LYS 95 lone 6 84 - 7 - 4.0/9349=3, 3.5/9346=1 Peak 2998 from cnoeabs.peaks (8.27, 1.39, 25.61 ppm; 5.07 A): 2 out of 6 assignments used, quality = 1.00: * H LEU 96 + HG2 LYS 95 OK 95 100 - 95 - 3.1/2988=18, 7316/3.0=18...(30) H LEU 96 + HG3 LYS 95 OK 91 96 - 95 - 7316/3.0=18, 7317/3.0=18...(30) H ASP 131 - HG2 LYS 95 OK 33 96 - 34 - 7307/4.6=7, 2960/3.9=6...(8) H ASP 131 - HG3 LYS 95 OK 30 89 - 34 - 7307/4.6=7, 2960/3.9=6...(8) H GLU 40 - HG2 LYS 95 OK 19 87 - 21 - 2960/3.9=4, 7307/4.6=3...(8) H GLU 40 - HG3 LYS 95 OK 17 79 - 21 - 2960/3.9=4, 7307/4.6=3...(8) Peak 2999 from cnoeabs.peaks (7.71, 1.39, 25.61 ppm; 3.98 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 95 + HG3 LYS 95 OK 96 100 - 97 - 4.6=65, 3021/2.9=15...(31) H LYS 95 + HG2 LYS 95 OK 92 96 - 96 - 4.6=65, 3021/2.9=15...(31) H LEU 53 - HG3 LYS 95 OK 15 65 - 24 - 2950/3.9=5, 2965/3.0=4...(9) H LEU 53 - HG2 LYS 95 OK 14 58 - 23 - 2950/3.9=5, 2965/3.0=4...(9) Peak 3000 from cnoeabs.peaks (4.02, 1.39, 25.61 ppm; 3.62 A): 2 out of 16 assignments used, quality = 1.00: * HA LYS 95 + HG3 LYS 95 OK 95 100 - 95 - 3.9=77, 2954/1.8=11...(25) HA LYS 95 + HG2 LYS 95 OK 91 96 - 95 - 3.9=77, 2954/1.8=11...(25) HA ILE 37 - HG3 LYS 95 OK 15 100 - 15 - ~10911=3, 7298/4.6=2...(7) HA ILE 37 - HG2 LYS 95 OK 13 95 - 14 - 7298/4.6=2, 3022/2.9=2...(6) HA LEU 103 - HG3 LYS 95 lone 8 98 - 8 - 7298/4.6=1, 2978/3.0=1 HA LEU 103 - HG2 LYS 95 lone 7 92 - 8 - 7298/4.6=1, 2978/3.0=1 HB2 SER 38 - HG3 LYS 95 lone 6 92 - 7 - 7298/4.6=2 HB2 SER 38 - HG2 LYS 95 lone 6 84 - 7 - 7298/4.6=2 HA ARG 135 - HG3 LYS 95 lone 6 99 - 6 - HA ARG 135 - HG2 LYS 95 lone 5 94 - 6 - HA LEU 119 - HG3 LYS 95 lone 2 87 - 3 - HA LEU 119 - HG2 LYS 95 lone 2 79 - 3 - HA SER 60 - HG3 LYS 95 lone 1 57 - 2 - HA SER 60 - HG2 LYS 95 lone 1 51 - 2 - HB3 SER 124 - HG3 LYS 95 lone 1 57 - 1 - HB3 SER 124 - HG2 LYS 95 lone 1 51 - 1 - Peak 3001 from cnoeabs.peaks (1.94, 1.39, 25.61 ppm; 3.45 A): 4 out of 10 assignments used, quality = 1.00: * HB2 LYS 95 + HG3 LYS 95 OK 100 100 - 100 - 3.0=100 HB3 LYS 95 + HG3 LYS 95 OK 98 98 - 100 - 3.0=100 HB2 LYS 95 + HG2 LYS 95 OK 96 96 - 100 - 3.0=100 HB3 LYS 95 + HG2 LYS 95 OK 92 92 - 100 - 3.0=100 HG LEU 53 - HG3 LYS 95 OK 19 100 - 19 - 2952/3.9=4, 1662/4.6=4...(6) HG LEU 53 - HG2 LYS 95 OK 18 95 - 19 - 2952/3.9=4, 1662/4.6=4...(6) HG2 PRO 113 - HG3 LYS 95 lone 7 92 - 7 - ~3621=1, ~3581=1...(5) HG2 PRO 113 - HG2 LYS 95 lone 6 84 - 7 - ~3621=1, ~3581=1...(5) HB3 PRO 81 - HG3 LYS 95 lone 5 73 - 6 - ~11907=2 HB3 PRO 81 - HG2 LYS 95 lone 4 66 - 6 - ~11907=2 Peak 3002 from cnoeabs.peaks (1.94, 1.39, 25.61 ppm; 3.45 A): 4 out of 12 assignments used, quality = 1.00: * HB3 LYS 95 + HG3 LYS 95 OK 100 100 - 100 - 3.0=100 HB2 LYS 95 + HG3 LYS 95 OK 98 98 - 100 - 3.0=100 HB3 LYS 95 + HG2 LYS 95 OK 96 96 - 100 - 3.0=100 HB2 LYS 95 + HG2 LYS 95 OK 92 92 - 100 - 3.0=100 HG LEU 53 - HG3 LYS 95 OK 17 96 - 18 - 2952/3.9=4, 1662/4.6=4...(6) HG LEU 53 - HG2 LYS 95 OK 16 89 - 18 - 2952/3.9=4, 1662/4.6=4...(6) HB3 PRO 81 - HG3 LYS 95 lone 6 92 - 6 - ~11907=2 HB3 PRO 81 - HG2 LYS 95 lone 5 84 - 6 - ~11907=2 HG2 PRO 113 - HG3 LYS 95 lone 5 73 - 7 - ~3621=1, ~3581=1...(5) HG2 PRO 113 - HG2 LYS 95 lone 5 66 - 7 - ~3621=1, ~3581=1...(5) HB2 PRO 58 - HG3 LYS 95 lone 2 65 - 3 - 4.3/9349=2 HB2 PRO 58 - HG2 LYS 95 lone 2 58 - 3 - 4.3/9349=2 Peak 3003 from cnoeabs.peaks (1.39, 1.39, 25.61 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG3 LYS 95 + HG3 LYS 95 OK 99 99 - 100 HG2 LYS 95 + HG2 LYS 95 OK 96 96 - 100 Reference assignment not found: HG2 LYS 95 - HG3 LYS 95 Peak 3004 from cnoeabs.peaks (1.39, 1.39, 25.61 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 95 + HG3 LYS 95 OK 100 100 - 100 HG2 LYS 95 + HG2 LYS 95 OK 94 94 - 100 Peak 3005 from cnoeabs.peaks (1.65, 1.39, 25.61 ppm; 2.78 A): 4 out of 32 assignments used, quality = 1.00: * HD2 LYS 95 + HG3 LYS 95 OK 92 100 - 92 - 2.9=85, 3013/3.0=5...(25) HD2 LYS 95 + HG2 LYS 95 OK 88 96 - 92 - 2.9=85, 3013/3.0=5...(25) HD3 LYS 95 + HG3 LYS 95 OK 84 92 - 91 - 2.9=85, 3024/3.0=5...(25) HD3 LYS 95 + HG2 LYS 95 OK 77 84 - 91 - 2.9=85, 3024/3.0=5...(25) HB2 LEU 98 - HG3 LYS 95 OK 13 99 - 13 - 3158/3.9=5, 7303/4.6=2...(4) HB2 LEU 98 - HG2 LYS 95 OK 12 94 - 13 - 3158/3.9=5, 7303/4.6=2...(5) HD3 LYS 31 - HG3 LYS 95 OK 12 87 - 14 - 2.9/826=1 HD3 LYS 31 - HG2 LYS 95 OK 11 79 - 14 - 2.9/826=1 HD2 LYS 31 - HG3 LYS 95 OK 11 81 - 14 - 2.9/826=1 HD2 LYS 31 - HG2 LYS 95 OK 10 73 - 14 - 2.9/826=1 HD3 LYS 26 - HG3 LYS 95 lone 6 96 - 6 - HD3 LYS 26 - HG2 LYS 95 lone 6 89 - 6 - HD2 LYS 26 - HG3 LYS 95 lone 5 87 - 6 - HD2 LYS 26 - HG2 LYS 95 lone 5 79 - 6 - HD3 LYS 24 - HG3 LYS 95 lone 4 87 - 5 - HD2 LYS 24 - HG3 LYS 95 lone 4 81 - 5 - HD3 LYS 24 - HG2 LYS 95 lone 4 79 - 5 - HD2 LYS 24 - HG2 LYS 95 lone 4 73 - 5 - HB2 LEU 123 - HG3 LYS 95 lone 3 96 - 3 - HB2 LEU 123 - HG2 LYS 95 lone 3 89 - 3 - HD3 LYS 86 - HG3 LYS 95 lone 1 92 - 1 - HD2 LYS 86 - HG3 LYS 95 lone 1 92 - 1 - HD3 LYS 19 - HG3 LYS 95 lone 1 92 - 1 - HD2 LYS 19 - HG3 LYS 95 lone 1 92 - 1 - HD3 LYS 86 - HG2 LYS 95 lone 1 84 - 1 - HD2 LYS 86 - HG2 LYS 95 lone 1 84 - 1 - HD2 LYS 19 - HG2 LYS 95 lone 1 84 - 1 - HD3 LYS 19 - HG2 LYS 95 lone 1 84 - 1 - HG LEU 62 - HG3 LYS 95 lone 1 87 - 1 - HG LEU 62 - HG2 LYS 95 lone 1 79 - 1 - QB ALA 88 - HG3 LYS 95 lone 0 81 - 1 - QB ALA 88 - HG2 LYS 95 lone 0 73 - 1 - Peak 3006 from cnoeabs.peaks (1.66, 1.39, 25.61 ppm; 2.78 A): 4 out of 26 assignments used, quality = 1.00: * HD3 LYS 95 + HG3 LYS 95 OK 92 100 - 92 - 2.9=85, 3024/3.0=5...(25) HD3 LYS 95 + HG2 LYS 95 OK 88 96 - 92 - 2.9=85, 3024/3.0=5...(25) HD2 LYS 95 + HG3 LYS 95 OK 84 92 - 91 - 2.9=85, 3013/3.0=5...(25) HD2 LYS 95 + HG2 LYS 95 OK 77 84 - 91 - 2.9=85, 3013/3.0=5...(25) HD3 LYS 31 - HG3 LYS 95 OK 15 100 - 14 - 2.9/826=1 HD2 LYS 31 - HG3 LYS 95 OK 15 99 - 15 - 2.9/826=1 HD3 LYS 31 - HG2 LYS 95 OK 14 95 - 15 - 2.9/826=1 HD2 LYS 31 - HG2 LYS 95 OK 14 94 - 15 - 2.9/826=1 HB2 LEU 98 - HG3 LYS 95 poor 9 81 - 11 - 3158/3.9=3, 7303/4.6=1 HB2 LEU 98 - HG2 LYS 95 poor 8 73 - 11 - 3158/3.9=3, 7303/4.6=1 HD2 LYS 26 - HG3 LYS 95 lone 7 100 - 6 - HD3 LYS 26 - HG3 LYS 95 lone 7 100 - 6 - HD2 LYS 26 - HG2 LYS 95 lone 6 95 - 6 - HD3 LYS 26 - HG2 LYS 95 lone 6 95 - 6 - HD3 LYS 24 - HG3 LYS 95 lone 5 100 - 5 - HD2 LYS 24 - HG3 LYS 95 lone 5 99 - 5 - HD3 LYS 24 - HG2 LYS 95 lone 5 95 - 5 - HD2 LYS 24 - HG2 LYS 95 lone 5 94 - 5 - HB2 LEU 123 - HG3 LYS 95 lone 2 65 - 3 - HB2 LEU 123 - HG2 LYS 95 lone 2 58 - 3 - HD2 LYS 86 - HG3 LYS 95 lone 1 100 - 1 - HD3 LYS 86 - HG3 LYS 95 lone 1 100 - 1 - HD3 LYS 86 - HG2 LYS 95 lone 1 96 - 1 - HD2 LYS 86 - HG2 LYS 95 lone 1 96 - 1 - QB ALA 88 - HG3 LYS 95 lone 1 99 - 1 - QB ALA 88 - HG2 LYS 95 lone 1 94 - 1 - Peak 3007 from cnoeabs.peaks (2.88, 1.39, 25.61 ppm; 3.81 A): 4 out of 6 assignments used, quality = 1.00: * HE2 LYS 95 + HG3 LYS 95 OK 100 100 - 100 - 3.7=100 HE3 LYS 95 + HG3 LYS 95 OK 100 100 - 100 - 3.7=100 HE3 LYS 95 + HG2 LYS 95 OK 96 96 - 100 - 3.7=100 HE2 LYS 95 + HG2 LYS 95 OK 96 96 - 100 - 3.7=100 HB3 ASN 59 - HG3 LYS 95 lone 7 92 - 7 - 4.0/9349=3, 3.5/9346=1 HB3 ASN 59 - HG2 LYS 95 lone 6 84 - 7 - 4.0/9349=3, 3.5/9346=1 Peak 3008 from cnoeabs.peaks (2.88, 1.39, 25.61 ppm; 3.81 A): 4 out of 6 assignments used, quality = 1.00: HE2 LYS 95 + HG3 LYS 95 OK 100 100 - 100 - 3.7=100 * HE3 LYS 95 + HG3 LYS 95 OK 100 100 - 100 - 3.7=100 HE3 LYS 95 + HG2 LYS 95 OK 96 96 - 100 - 3.7=100 HE2 LYS 95 + HG2 LYS 95 OK 96 96 - 100 - 3.7=100 HB3 ASN 59 - HG3 LYS 95 lone 7 92 - 7 - 4.0/9349=3, 3.5/9346=1 HB3 ASN 59 - HG2 LYS 95 lone 6 84 - 7 - 4.0/9349=3, 3.5/9346=1 Peak 3009 from cnoeabs.peaks (8.27, 1.39, 25.61 ppm; 5.07 A): 2 out of 6 assignments used, quality = 1.00: * H LEU 96 + HG3 LYS 95 OK 95 100 - 95 - 3.1/2999=18, 7316/3.0=18...(31) H LEU 96 + HG2 LYS 95 OK 91 96 - 95 - 7316/3.0=18, 7317/3.0=18...(30) H ASP 131 - HG3 LYS 95 OK 33 96 - 34 - 7307/4.6=7, 2960/3.9=6...(8) H ASP 131 - HG2 LYS 95 OK 30 89 - 34 - 7307/4.6=7, 2960/3.9=6...(8) H GLU 40 - HG3 LYS 95 OK 19 87 - 22 - 2960/3.9=4, 7307/4.6=3...(8) H GLU 40 - HG2 LYS 95 OK 17 79 - 22 - 2960/3.9=4, 7307/4.6=3...(8) Peak 3010 from cnoeabs.peaks (7.71, 1.65, 29.32 ppm; 4.30 A): 2 out of 4 assignments used, quality = 0.99: * H LYS 95 + HD2 LYS 95 OK 97 100 - 97 - 5.5=48, 2.9/3011=15...(34) H LYS 95 + HD3 LYS 95 OK 55 57 - 96 - 5.5=48, 2988/2.9=15...(34) H LEU 53 - HD2 LYS 95 OK 14 65 - 21 - 2950/5.0=5, 2965/3.7=4...(7) H LEU 53 - HD3 LYS 95 poor 6 31 - 20 - 2950/5.0=5, 2965/3.7=4...(7) Peak 3011 from cnoeabs.peaks (4.02, 1.65, 29.32 ppm; 3.96 A): 2 out of 16 assignments used, quality = 0.98: * HA LYS 95 + HD2 LYS 95 OK 95 100 - 95 - 5.0=49, 2.9/3010=15...(34) HA LYS 95 + HD3 LYS 95 OK 54 57 - 94 - 5.0=49, 3044/3.0=13...(34) HA ILE 37 - HD2 LYS 95 OK 15 100 - 15 - ~10911=2, 7298/5.5=2...(8) HA LEU 103 - HD2 LYS 95 lone 8 98 - 9 - 2966/3.7=1, 2978/3.7=1 HA ILE 37 - HD3 LYS 95 poor 8 57 - 14 - ~10911=2, 7298/5.5=2...(8) HA ARG 135 - HD2 LYS 95 lone 7 99 - 7 - HB2 SER 38 - HD2 LYS 95 lone 7 92 - 7 - 7298/5.5=1 HA LEU 103 - HD3 LYS 95 lone 4 54 - 8 - 2966/3.7=1, 2978/3.7=1 HA ARG 135 - HD3 LYS 95 lone 4 56 - 6 - HB2 SER 38 - HD3 LYS 95 lone 3 48 - 7 - 7298/5.5=1 HA LEU 119 - HD2 LYS 95 lone 3 87 - 3 - HA SER 60 - HD2 LYS 95 lone 2 57 - 4 - ~6739=1 HA LEU 119 - HD3 LYS 95 lone 1 44 - 3 - HB3 SER 124 - HD2 LYS 95 lone 1 57 - 2 - HA SER 60 - HD3 LYS 95 lone 1 26 - 4 - ~6739=1 HB3 SER 124 - HD3 LYS 95 lone 0 26 - 2 - Peak 3012 from cnoeabs.peaks (1.94, 1.65, 29.32 ppm; 3.32 A): 4 out of 10 assignments used, quality = 1.00: * HB2 LYS 95 + HD2 LYS 95 OK 94 100 - 94 - 3.7=75, 3.0/3011=9...(37) HB3 LYS 95 + HD2 LYS 95 OK 92 98 - 94 - 3.7=75, 3.0/3011=9...(37) HB2 LYS 95 + HD3 LYS 95 OK 53 57 - 93 - 3.7=75, 3.0/2956=6...(37) HB3 LYS 95 + HD3 LYS 95 OK 50 54 - 93 - 3.7=75, 3.0/2956=6...(37) HG LEU 53 - HD2 LYS 95 lone 10 100 - 10 - 1662/5.5=3, 2952/5.0=2...(4) HG LEU 53 - HD3 LYS 95 lone 5 57 - 9 - 1662/5.5=3, 2952/5.0=2...(4) HG2 PRO 113 - HD2 LYS 95 lone 2 92 - 2 - HB3 PRO 81 - HD2 LYS 95 lone 2 73 - 2 - HG2 PRO 113 - HD3 LYS 95 lone 1 48 - 2 - HB3 PRO 81 - HD3 LYS 95 lone 1 35 - 2 - Peak 3013 from cnoeabs.peaks (1.94, 1.65, 29.32 ppm; 3.32 A): 4 out of 12 assignments used, quality = 1.00: * HB3 LYS 95 + HD2 LYS 95 OK 94 100 - 94 - 3.7=75, 3.0/3011=9...(37) HB2 LYS 95 + HD2 LYS 95 OK 92 98 - 94 - 3.7=75, 3.0/3011=9...(37) HB3 LYS 95 + HD3 LYS 95 OK 53 57 - 93 - 3.7=75, 3.0/2956=6...(37) HB2 LYS 95 + HD3 LYS 95 OK 50 54 - 93 - 3.7=75, 3.0/2956=6...(37) HG LEU 53 - HD2 LYS 95 lone 9 96 - 9 - 1662/5.5=3, 2952/5.0=2...(4) HG LEU 53 - HD3 LYS 95 lone 4 51 - 9 - 1662/5.5=3, 2952/5.0=2...(4) HB3 PRO 81 - HD2 LYS 95 lone 2 92 - 2 - HG2 PRO 113 - HD2 LYS 95 lone 2 73 - 2 - HB3 PRO 81 - HD3 LYS 95 lone 1 48 - 2 - HB2 PRO 58 - HD2 LYS 95 lone 1 65 - 1 - HG2 PRO 113 - HD3 LYS 95 lone 1 35 - 2 - HB2 PRO 58 - HD3 LYS 95 lone 0 31 - 1 - Peak 3014 from cnoeabs.peaks (1.39, 1.65, 29.32 ppm; 3.17 A): 4 out of 30 assignments used, quality = 1.00: * HG2 LYS 95 + HD2 LYS 95 OK 100 100 - 100 - 2.9=100 HG3 LYS 95 + HD2 LYS 95 OK 99 99 - 100 - 2.9=100 HG2 LYS 95 + HD3 LYS 95 OK 57 57 - 100 - 2.9=100 HG3 LYS 95 + HD3 LYS 95 OK 56 56 - 100 - 2.9=100 HB2 LEU 96 - HD2 LYS 95 OK 14 81 - 18 - 3.8/3020=5, ~11694=2...(7) HG3 LYS 31 - HD2 LYS 95 OK 12 98 - 13 - HG3 LYS 31 - HD3 LYS 95 poor 7 54 - 13 - HB2 LEU 96 - HD3 LYS 95 poor 6 39 - 16 - 3.8/7320=3, 3.2/11694=2...(7) HG3 LYS 26 - HD2 LYS 95 lone 5 87 - 6 - HG2 LYS 24 - HD2 LYS 95 lone 4 73 - 5 - HB3 LEU 100 - HD2 LYS 95 lone 3 73 - 4 - HG3 LYS 26 - HD3 LYS 95 lone 3 44 - 6 - HG2 LYS 36 - HD2 LYS 95 lone 2 81 - 2 - HB2 LEU 42 - HD2 LYS 95 lone 2 65 - 3 - HG2 LYS 24 - HD3 LYS 95 lone 2 35 - 5 - HB3 LEU 100 - HD3 LYS 95 lone 1 35 - 4 - QB ALA 29 - HD2 LYS 95 lone 1 81 - 1 - QB ALA 28 - HD2 LYS 95 lone 1 96 - 1 - QB ALA 109 - HD2 LYS 95 lone 1 100 - 1 - HG2 LYS 36 - HD3 LYS 95 lone 1 39 - 2 - QB ALA 108 - HD2 LYS 95 lone 1 98 - 1 - HB2 LEU 42 - HD3 LYS 95 lone 1 31 - 3 - QB ALA 15 - HD2 LYS 95 lone 1 92 - 1 - QB ALA 110 - HD2 LYS 95 lone 1 92 - 1 - QB ALA 28 - HD3 LYS 95 lone 1 51 - 1 - QB ALA 109 - HD3 LYS 95 lone 1 57 - 1 - QB ALA 29 - HD3 LYS 95 lone 0 39 - 1 - QB ALA 108 - HD3 LYS 95 lone 0 54 - 1 - QB ALA 15 - HD3 LYS 95 lone 0 48 - 1 - QB ALA 110 - HD3 LYS 95 lone 0 48 - 1 - Peak 3015 from cnoeabs.peaks (1.39, 1.65, 29.32 ppm; 3.17 A): 4 out of 30 assignments used, quality = 1.00: * HG3 LYS 95 + HD2 LYS 95 OK 100 100 - 100 - 2.9=100 HG2 LYS 95 + HD2 LYS 95 OK 99 99 - 100 - 2.9=100 HG3 LYS 95 + HD3 LYS 95 OK 57 57 - 100 - 2.9=100 HG2 LYS 95 + HD3 LYS 95 OK 56 56 - 100 - 2.9=100 HB2 LEU 96 - HD2 LYS 95 OK 17 92 - 18 - 3.8/3020=5, ~11694=2...(7) HG3 LYS 31 - HD2 LYS 95 OK 11 92 - 12 - HB2 LEU 96 - HD3 LYS 95 poor 8 48 - 16 - 3.8/7320=3, 3.2/11694=2...(7) HG3 LYS 26 - HD2 LYS 95 lone 6 96 - 6 - HG3 LYS 31 - HD3 LYS 95 poor 6 48 - 12 - HG2 LYS 24 - HD2 LYS 95 lone 4 87 - 5 - HB3 LEU 100 - HD2 LYS 95 lone 4 87 - 4 - HG3 LYS 26 - HD3 LYS 95 lone 3 51 - 6 - HG2 LYS 24 - HD3 LYS 95 lone 2 44 - 5 - HB2 LEU 42 - HD2 LYS 95 lone 2 81 - 3 - HG2 LYS 36 - HD2 LYS 95 lone 2 92 - 2 - HB3 LEU 100 - HD3 LYS 95 lone 2 44 - 4 - QB ALA 29 - HD2 LYS 95 lone 1 92 - 1 - QB ALA 28 - HD2 LYS 95 lone 1 99 - 1 - HB2 LEU 42 - HD3 LYS 95 lone 1 39 - 3 - HG2 LYS 36 - HD3 LYS 95 lone 1 48 - 2 - QB ALA 109 - HD2 LYS 95 lone 1 98 - 1 - QB ALA 15 - HD2 LYS 95 lone 1 98 - 1 - QB ALA 108 - HD2 LYS 95 lone 1 100 - 1 - QB ALA 110 - HD2 LYS 95 lone 1 98 - 1 - QB ALA 28 - HD3 LYS 95 lone 1 56 - 1 - QB ALA 29 - HD3 LYS 95 lone 1 48 - 1 - QB ALA 109 - HD3 LYS 95 lone 0 54 - 1 - QB ALA 108 - HD3 LYS 95 lone 0 57 - 1 - QB ALA 15 - HD3 LYS 95 lone 0 54 - 1 - QB ALA 110 - HD3 LYS 95 lone 0 54 - 1 - Peak 3016 from cnoeabs.peaks (1.65, 1.65, 29.32 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD2 LYS 95 + HD2 LYS 95 OK 100 100 - 100 HD3 LYS 95 + HD3 LYS 95 OK 48 48 - 100 Peak 3017 from cnoeabs.peaks (1.66, 1.65, 29.32 ppm; diagonal): 2 out of 2 assignments used, quality = 0.97: HD2 LYS 95 + HD2 LYS 95 OK 92 92 - 100 HD3 LYS 95 + HD3 LYS 95 OK 57 57 - 100 Reference assignment not found: HD3 LYS 95 - HD2 LYS 95 Peak 3018 from cnoeabs.peaks (2.88, 1.65, 29.32 ppm; 3.32 A): 4 out of 6 assignments used, quality = 1.00: * HE2 LYS 95 + HD2 LYS 95 OK 100 100 - 100 - 3.0=100 HE3 LYS 95 + HD2 LYS 95 OK 100 100 - 100 - 3.0=100 HE3 LYS 95 + HD3 LYS 95 OK 57 57 - 100 - 3.0=100 HE2 LYS 95 + HD3 LYS 95 OK 57 57 - 100 - 3.0=100 HB3 ASN 59 - HD2 LYS 95 lone 5 92 - 5 - ~1885=2, ~1875=1 HB3 ASN 59 - HD3 LYS 95 lone 2 48 - 5 - ~1885=2, ~1875=1 Peak 3019 from cnoeabs.peaks (2.88, 1.65, 29.32 ppm; 3.32 A): 4 out of 6 assignments used, quality = 1.00: HE2 LYS 95 + HD2 LYS 95 OK 100 100 - 100 - 3.0=100 * HE3 LYS 95 + HD2 LYS 95 OK 100 100 - 100 - 3.0=100 HE3 LYS 95 + HD3 LYS 95 OK 57 57 - 100 - 3.0=100 HE2 LYS 95 + HD3 LYS 95 OK 57 57 - 100 - 3.0=100 HB3 ASN 59 - HD2 LYS 95 lone 5 92 - 5 - ~1885=2, ~1875=1 HB3 ASN 59 - HD3 LYS 95 lone 2 48 - 5 - ~1885=2, ~1875=1 Peak 3020 from cnoeabs.peaks (8.27, 1.65, 29.32 ppm; 4.83 A): 2 out of 6 assignments used, quality = 0.97: * H LEU 96 + HD2 LYS 95 OK 93 100 - 93 - 3.1/3010=21, 3.6/3011=16...(28) H LEU 96 + HD3 LYS 95 OK 53 57 - 92 - 7316/3.7=15, 7317/3.7=15...(27) H ASP 131 - HD2 LYS 95 OK 26 96 - 28 - 7307/5.5=5, 2960/5.0=5...(8) H GLU 40 - HD2 LYS 95 OK 15 87 - 17 - 2960/5.0=3, 3009/2.9=2...(8) H ASP 131 - HD3 LYS 95 OK 14 51 - 28 - 7307/5.5=5, 2960/5.0=5...(8) H GLU 40 - HD3 LYS 95 poor 7 44 - 17 - 2960/5.0=3, 3009/2.9=2...(8) Peak 3021 from cnoeabs.peaks (7.71, 1.66, 29.32 ppm; 4.30 A): 2 out of 4 assignments used, quality = 0.99: * H LYS 95 + HD3 LYS 95 OK 97 100 - 97 - 5.5=48, 2.9/3022=15...(35) H LYS 95 + HD2 LYS 95 OK 55 57 - 96 - 5.5=48, 2988/2.9=15...(34) H LEU 53 - HD3 LYS 95 OK 14 65 - 21 - 2950/5.0=5, 2965/3.7=4...(7) H LEU 53 - HD2 LYS 95 poor 6 31 - 20 - 2950/5.0=5, 2965/3.7=4...(7) Peak 3022 from cnoeabs.peaks (4.02, 1.66, 29.32 ppm; 3.96 A): 2 out of 16 assignments used, quality = 0.98: * HA LYS 95 + HD3 LYS 95 OK 95 100 - 95 - 5.0=49, 2.9/3021=15...(34) HA LYS 95 + HD2 LYS 95 OK 54 57 - 94 - 5.0=49, 2957/1.8=13...(34) HA ILE 37 - HD3 LYS 95 OK 15 100 - 15 - ~10911=2, 7298/5.5=2...(8) HA LEU 103 - HD3 LYS 95 lone 8 98 - 8 - 2966/3.7=1, 2978/3.7=1 HA ILE 37 - HD2 LYS 95 poor 8 57 - 14 - ~10911=2, 7298/5.5=2...(8) HB2 SER 38 - HD3 LYS 95 lone 7 92 - 7 - 7298/5.5=1 HA ARG 135 - HD3 LYS 95 lone 6 99 - 6 - HA LEU 103 - HD2 LYS 95 lone 4 54 - 8 - 2966/3.7=1, 2978/3.7=1 HA ARG 135 - HD2 LYS 95 lone 4 56 - 6 - HB2 SER 38 - HD2 LYS 95 lone 3 48 - 7 - 7298/5.5=1 HA LEU 119 - HD3 LYS 95 lone 3 87 - 3 - HA SER 60 - HD3 LYS 95 lone 2 57 - 4 - ~6739=1 HA LEU 119 - HD2 LYS 95 lone 1 44 - 3 - HA SER 60 - HD2 LYS 95 lone 1 26 - 4 - ~6739=1 HB3 SER 124 - HD3 LYS 95 lone 1 57 - 2 - HB3 SER 124 - HD2 LYS 95 lone 0 26 - 2 - Peak 3023 from cnoeabs.peaks (1.94, 1.66, 29.32 ppm; 3.32 A): 4 out of 10 assignments used, quality = 1.00: * HB2 LYS 95 + HD3 LYS 95 OK 94 100 - 94 - 3.7=75, 3.0/3022=9...(37) HB3 LYS 95 + HD3 LYS 95 OK 92 98 - 94 - 3.7=75, 3.0/3022=9...(37) HB2 LYS 95 + HD2 LYS 95 OK 53 57 - 93 - 3.7=75, 3.0/2957=7...(37) HB3 LYS 95 + HD2 LYS 95 OK 50 54 - 93 - 3.7=75, 3.0/2957=7...(37) HG LEU 53 - HD3 LYS 95 lone 10 100 - 10 - 1662/5.5=3, 2952/5.0=2...(4) HG LEU 53 - HD2 LYS 95 lone 5 57 - 9 - 1662/5.5=3, 2952/5.0=2...(4) HG2 PRO 113 - HD3 LYS 95 lone 2 92 - 2 - HB3 PRO 81 - HD3 LYS 95 lone 2 73 - 2 - HG2 PRO 113 - HD2 LYS 95 lone 1 48 - 2 - HB3 PRO 81 - HD2 LYS 95 lone 1 35 - 2 - Peak 3024 from cnoeabs.peaks (1.94, 1.66, 29.32 ppm; 3.32 A): 4 out of 12 assignments used, quality = 1.00: * HB3 LYS 95 + HD3 LYS 95 OK 94 100 - 94 - 3.7=75, 3.0/3022=9...(37) HB2 LYS 95 + HD3 LYS 95 OK 92 98 - 94 - 3.7=75, 3.0/3022=9...(37) HB3 LYS 95 + HD2 LYS 95 OK 53 57 - 93 - 3.7=75, 3.0/2957=7...(37) HB2 LYS 95 + HD2 LYS 95 OK 50 54 - 93 - 3.7=75, 3.0/2957=7...(37) HG LEU 53 - HD3 LYS 95 lone 9 96 - 9 - 1662/5.5=3, 2952/5.0=2...(4) HG LEU 53 - HD2 LYS 95 lone 4 51 - 9 - 1662/5.5=3, 2952/5.0=2...(4) HB3 PRO 81 - HD3 LYS 95 lone 2 92 - 3 - HG2 PRO 113 - HD3 LYS 95 lone 1 73 - 2 - HB3 PRO 81 - HD2 LYS 95 lone 1 48 - 2 - HB2 PRO 58 - HD3 LYS 95 lone 1 65 - 1 - HG2 PRO 113 - HD2 LYS 95 lone 1 35 - 2 - HB2 PRO 58 - HD2 LYS 95 lone 0 31 - 1 - Peak 3025 from cnoeabs.peaks (1.39, 1.66, 29.32 ppm; 3.17 A): 4 out of 30 assignments used, quality = 1.00: * HG2 LYS 95 + HD3 LYS 95 OK 100 100 - 100 - 2.9=100 HG3 LYS 95 + HD3 LYS 95 OK 99 99 - 100 - 2.9=100 HG2 LYS 95 + HD2 LYS 95 OK 57 57 - 100 - 2.9=100 HG3 LYS 95 + HD2 LYS 95 OK 56 56 - 100 - 2.9=100 HB2 LEU 96 - HD3 LYS 95 OK 17 81 - 21 - 3.8/3031=5, 3.2/11694=3...(8) HG3 LYS 31 - HD3 LYS 95 OK 13 98 - 14 - 839=1, 1.8/828=1 HG3 LYS 31 - HD2 LYS 95 poor 7 54 - 13 - HB2 LEU 96 - HD2 LYS 95 poor 7 39 - 17 - 3.8/7321=3, 3.2/11694=2...(7) HG3 LYS 26 - HD3 LYS 95 lone 6 87 - 6 - HG2 LYS 24 - HD3 LYS 95 lone 4 73 - 5 - HB3 LEU 100 - HD3 LYS 95 lone 3 73 - 4 - 3.2/11389=1 HG3 LYS 26 - HD2 LYS 95 lone 3 44 - 6 - HB2 LEU 42 - HD3 LYS 95 lone 2 65 - 3 - HG2 LYS 36 - HD3 LYS 95 lone 2 81 - 2 - HG2 LYS 24 - HD2 LYS 95 lone 2 35 - 4 - HB3 LEU 100 - HD2 LYS 95 lone 1 35 - 4 - QB ALA 28 - HD3 LYS 95 lone 1 96 - 1 - QB ALA 29 - HD3 LYS 95 lone 1 81 - 1 - QB ALA 109 - HD3 LYS 95 lone 1 100 - 1 - QB ALA 108 - HD3 LYS 95 lone 1 98 - 1 - QB ALA 15 - HD3 LYS 95 lone 1 92 - 1 - HG2 LYS 36 - HD2 LYS 95 lone 1 39 - 2 - QB ALA 110 - HD3 LYS 95 lone 1 92 - 1 - HB2 LEU 42 - HD2 LYS 95 lone 1 31 - 2 - QB ALA 28 - HD2 LYS 95 lone 1 51 - 1 - QB ALA 109 - HD2 LYS 95 lone 1 57 - 1 - QB ALA 29 - HD2 LYS 95 lone 0 39 - 1 - QB ALA 108 - HD2 LYS 95 lone 0 54 - 1 - QB ALA 15 - HD2 LYS 95 lone 0 48 - 1 - QB ALA 110 - HD2 LYS 95 lone 0 48 - 1 - Peak 3026 from cnoeabs.peaks (1.39, 1.66, 29.32 ppm; 3.17 A): 4 out of 30 assignments used, quality = 1.00: * HG3 LYS 95 + HD3 LYS 95 OK 100 100 - 100 - 2.9=100 HG2 LYS 95 + HD3 LYS 95 OK 99 99 - 100 - 2.9=100 HG3 LYS 95 + HD2 LYS 95 OK 57 57 - 100 - 2.9=100 HG2 LYS 95 + HD2 LYS 95 OK 56 56 - 100 - 2.9=100 HB2 LEU 96 - HD3 LYS 95 OK 19 92 - 21 - 3.8/3031=5, 3.2/11694=3...(8) HG3 LYS 31 - HD3 LYS 95 OK 12 92 - 13 - 1.8/828=1, 839=1 HB2 LEU 96 - HD2 LYS 95 poor 8 48 - 17 - 3.8/7321=3, 3.2/11694=2...(7) HG3 LYS 26 - HD3 LYS 95 lone 7 96 - 7 - HG3 LYS 31 - HD2 LYS 95 poor 6 48 - 13 - HG2 LYS 24 - HD3 LYS 95 lone 5 87 - 5 - HB3 LEU 100 - HD3 LYS 95 lone 4 87 - 5 - 3.2/11389=1 HG3 LYS 26 - HD2 LYS 95 lone 3 51 - 6 - HB2 LEU 42 - HD3 LYS 95 lone 2 81 - 3 - HG2 LYS 36 - HD3 LYS 95 lone 2 92 - 2 - HG2 LYS 24 - HD2 LYS 95 lone 2 44 - 5 - HB3 LEU 100 - HD2 LYS 95 lone 2 44 - 4 - QB ALA 29 - HD3 LYS 95 lone 1 92 - 1 - QB ALA 28 - HD3 LYS 95 lone 1 99 - 1 - HG2 LYS 36 - HD2 LYS 95 lone 1 48 - 2 - QB ALA 15 - HD3 LYS 95 lone 1 98 - 1 - QB ALA 109 - HD3 LYS 95 lone 1 98 - 1 - QB ALA 108 - HD3 LYS 95 lone 1 100 - 1 - HB2 LEU 42 - HD2 LYS 95 lone 1 39 - 2 - QB ALA 110 - HD3 LYS 95 lone 1 98 - 1 - QB ALA 28 - HD2 LYS 95 lone 1 56 - 1 - QB ALA 29 - HD2 LYS 95 lone 1 48 - 1 - QB ALA 109 - HD2 LYS 95 lone 0 54 - 1 - QB ALA 108 - HD2 LYS 95 lone 0 57 - 1 - QB ALA 15 - HD2 LYS 95 lone 0 54 - 1 - QB ALA 110 - HD2 LYS 95 lone 0 54 - 1 - Peak 3027 from cnoeabs.peaks (1.65, 1.66, 29.32 ppm; diagonal): 2 out of 2 assignments used, quality = 0.97: HD3 LYS 95 + HD3 LYS 95 OK 92 92 - 100 HD2 LYS 95 + HD2 LYS 95 OK 57 57 - 100 Reference assignment not found: HD2 LYS 95 - HD3 LYS 95 Peak 3028 from cnoeabs.peaks (1.66, 1.66, 29.32 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 95 + HD3 LYS 95 OK 100 100 - 100 HD2 LYS 95 + HD2 LYS 95 OK 48 48 - 100 Peak 3029 from cnoeabs.peaks (2.88, 1.66, 29.32 ppm; 3.32 A): 4 out of 6 assignments used, quality = 1.00: * HE2 LYS 95 + HD3 LYS 95 OK 100 100 - 100 - 3.0=100 HE3 LYS 95 + HD3 LYS 95 OK 100 100 - 100 - 3.0=100 HE3 LYS 95 + HD2 LYS 95 OK 57 57 - 100 - 3.0=100 HE2 LYS 95 + HD2 LYS 95 OK 57 57 - 100 - 3.0=100 HB3 ASN 59 - HD3 LYS 95 lone 5 92 - 5 - ~1885=2, ~1875=1 HB3 ASN 59 - HD2 LYS 95 lone 2 48 - 5 - ~1885=2, ~1875=1 Peak 3030 from cnoeabs.peaks (2.88, 1.66, 29.32 ppm; 3.32 A): 4 out of 6 assignments used, quality = 1.00: HE2 LYS 95 + HD3 LYS 95 OK 100 100 - 100 - 3.0=100 * HE3 LYS 95 + HD3 LYS 95 OK 100 100 - 100 - 3.0=100 HE3 LYS 95 + HD2 LYS 95 OK 57 57 - 100 - 3.0=100 HE2 LYS 95 + HD2 LYS 95 OK 57 57 - 100 - 3.0=100 HB3 ASN 59 - HD3 LYS 95 lone 5 92 - 5 - ~1885=2, ~1875=1 HB3 ASN 59 - HD2 LYS 95 lone 2 48 - 5 - ~1885=2, ~1875=1 Peak 3031 from cnoeabs.peaks (8.27, 1.66, 29.32 ppm; 4.83 A): 2 out of 6 assignments used, quality = 0.97: * H LEU 96 + HD3 LYS 95 OK 94 100 - 94 - 3.1/3021=21, 3.6/3022=16...(28) H LEU 96 + HD2 LYS 95 OK 53 57 - 92 - 7316/3.7=15, 7317/3.7=15...(27) H ASP 131 - HD3 LYS 95 OK 27 96 - 28 - 7307/5.5=5, 2960/5.0=5...(8) H GLU 40 - HD3 LYS 95 OK 15 87 - 17 - 2960/5.0=3, 3009/2.9=2...(8) H ASP 131 - HD2 LYS 95 OK 14 51 - 28 - 7307/5.5=5, 2960/5.0=5...(8) H GLU 40 - HD2 LYS 95 poor 7 44 - 17 - 2960/5.0=3, 3009/2.9=2...(8) Peak 3032 from cnoeabs.peaks (7.71, 2.88, 41.80 ppm; 4.31 A): 2 out of 4 assignments used, quality = 0.99: * H LYS 95 + HE2 LYS 95 OK 92 100 - 92 - 6.7=26, 3021/3.0=18...(26) H LYS 95 + HE3 LYS 95 OK 92 100 - 92 - 6.7=26, 3021/3.0=18...(26) H LEU 53 - HE2 LYS 95 OK 12 65 - 18 - 2950/6.4=3, 2965/5.3=3...(7) H LEU 53 - HE3 LYS 95 OK 12 65 - 18 - 2950/6.4=3, 2965/5.3=3...(7) Peak 3033 from cnoeabs.peaks (4.02, 2.88, 41.80 ppm; 3.46 A): 2 out of 16 assignments used, quality = 0.96: * HA LYS 95 + HE2 LYS 95 OK 80 100 - 80 - 6.4=16, 3022/3.0=10...(29) HA LYS 95 + HE3 LYS 95 OK 80 100 - 80 - 6.4=16, 3022/3.0=10...(29) HA ILE 37 - HE2 LYS 95 lone 8 100 - 8 - 3022/3.0=2, 3011/3.0=2...(4) HA ILE 37 - HE3 LYS 95 lone 8 100 - 8 - 3022/3.0=2, 3011/3.0=2...(4) HA LEU 103 - HE3 LYS 95 lone 6 98 - 6 - 4.1/11707=1 HA LEU 103 - HE2 LYS 95 lone 6 98 - 6 - 4.1/11707=1 HB2 SER 38 - HE3 LYS 95 lone 4 92 - 4 - HB2 SER 38 - HE2 LYS 95 lone 4 92 - 4 - HA ARG 135 - HE3 LYS 95 lone 4 99 - 4 - HA ARG 135 - HE2 LYS 95 lone 4 99 - 4 - HA SER 60 - HE2 LYS 95 lone 3 57 - 5 - 2.8/6739=2, ~6739=2 HA SER 60 - HE3 LYS 95 lone 3 57 - 5 - 2.8/6739=2, ~6739=2 HA LEU 119 - HE3 LYS 95 lone 2 87 - 2 - HA LEU 119 - HE2 LYS 95 lone 2 87 - 2 - HB3 SER 124 - HE2 LYS 95 lone 1 57 - 1 - HB3 SER 124 - HE3 LYS 95 lone 1 57 - 1 - Peak 3034 from cnoeabs.peaks (1.94, 2.88, 41.80 ppm; 3.40 A): 4 out of 10 assignments used, quality = 1.00: * HB2 LYS 95 + HE2 LYS 95 OK 80 100 - 80 - 5.3=26, 3.0/3033=10...(32) HB2 LYS 95 + HE3 LYS 95 OK 80 100 - 80 - 5.3=26, 3.0/3033=10...(32) HB3 LYS 95 + HE2 LYS 95 OK 79 98 - 80 - 5.3=26, 3.0/3044=10...(32) HB3 LYS 95 + HE3 LYS 95 OK 79 98 - 80 - 5.3=26, 3.0/3044=10...(32) HG LEU 53 - HE2 LYS 95 lone 8 100 - 8 - 1662/6.7=2, 2952/6.4=1 HG LEU 53 - HE3 LYS 95 lone 8 100 - 8 - 1662/6.7=2, 2952/6.4=1 HB3 PRO 81 - HE2 LYS 95 lone 2 73 - 2 - HB3 PRO 81 - HE3 LYS 95 lone 2 73 - 2 - HG2 PRO 113 - HE3 LYS 95 lone 2 92 - 2 - HG2 PRO 113 - HE2 LYS 95 lone 2 92 - 2 - Peak 3035 from cnoeabs.peaks (1.94, 2.88, 41.80 ppm; 3.40 A): 4 out of 12 assignments used, quality = 1.00: HB3 LYS 95 + HE3 LYS 95 OK 80 100 - 80 - 5.3=26, 3.0/3044=10...(32) * HB3 LYS 95 + HE2 LYS 95 OK 80 100 - 80 - 5.3=26, 3.0/3044=10...(32) HB2 LYS 95 + HE3 LYS 95 OK 79 98 - 80 - 5.3=26, 3.0/3033=10...(32) HB2 LYS 95 + HE2 LYS 95 OK 79 98 - 80 - 5.3=26, 3.0/3033=10...(32) HG LEU 53 - HE3 LYS 95 lone 7 96 - 8 - 1662/6.7=2, 2952/6.4=1 HG LEU 53 - HE2 LYS 95 lone 7 96 - 8 - 1662/6.7=2, 2952/6.4=1 HB3 PRO 81 - HE2 LYS 95 lone 2 92 - 3 - HB3 PRO 81 - HE3 LYS 95 lone 2 92 - 3 - HB2 PRO 58 - HE2 LYS 95 lone 2 65 - 3 - 4.3/6718=2 HB2 PRO 58 - HE3 LYS 95 lone 2 65 - 3 - 4.3/6718=2 HG2 PRO 113 - HE3 LYS 95 lone 1 73 - 2 - HG2 PRO 113 - HE2 LYS 95 lone 1 73 - 2 - Peak 3036 from cnoeabs.peaks (1.39, 2.88, 41.80 ppm; 3.18 A): 4 out of 30 assignments used, quality = 1.00: HG2 LYS 95 + HE3 LYS 95 OK 85 100 - 85 - 3.7=64, 2.9/3050=7...(25) * HG2 LYS 95 + HE2 LYS 95 OK 85 100 - 85 - 3.7=64, 2.9/3050=7...(25) HG3 LYS 95 + HE3 LYS 95 OK 84 99 - 85 - 3.7=64, 2.9/3050=7...(25) HG3 LYS 95 + HE2 LYS 95 OK 84 99 - 85 - 3.7=64, 2.9/3050=7...(25) HB2 LEU 96 - HE3 LYS 95 poor 8 81 - 10 - 3.8/3042=4, ~11694=1...(4) HB2 LEU 96 - HE2 LYS 95 poor 8 81 - 10 - 3.8/3042=4, ~11694=1...(4) HG3 LYS 31 - HE2 LYS 95 lone 6 98 - 6 - HG3 LYS 31 - HE3 LYS 95 lone 6 98 - 6 - HG3 LYS 26 - HE2 LYS 95 lone 3 87 - 3 - HG3 LYS 26 - HE3 LYS 95 lone 3 87 - 3 - HG2 LYS 24 - HE3 LYS 95 lone 2 73 - 3 - HG2 LYS 24 - HE2 LYS 95 lone 2 73 - 3 - HB3 LEU 100 - HE2 LYS 95 lone 1 73 - 2 - HB3 LEU 100 - HE3 LYS 95 lone 1 73 - 2 - HG2 LYS 36 - HE2 LYS 95 lone 1 81 - 1 - HG2 LYS 36 - HE3 LYS 95 lone 1 81 - 1 - HB2 LEU 42 - HE2 LYS 95 lone 1 65 - 1 - HB2 LEU 42 - HE3 LYS 95 lone 1 65 - 1 - QB ALA 28 - HE3 LYS 95 lone 1 96 - 1 - QB ALA 28 - HE2 LYS 95 lone 1 96 - 1 - QB ALA 108 - HE2 LYS 95 lone 1 98 - 1 - QB ALA 108 - HE3 LYS 95 lone 1 98 - 1 - QB ALA 109 - HE2 LYS 95 lone 1 100 - 1 - QB ALA 109 - HE3 LYS 95 lone 1 100 - 1 - QB ALA 29 - HE2 LYS 95 lone 1 81 - 1 - QB ALA 29 - HE3 LYS 95 lone 1 81 - 1 - QB ALA 15 - HE3 LYS 95 lone 1 92 - 1 - QB ALA 15 - HE2 LYS 95 lone 1 92 - 1 - QB ALA 110 - HE3 LYS 95 lone 1 92 - 1 - QB ALA 110 - HE2 LYS 95 lone 1 92 - 1 - Peak 3037 from cnoeabs.peaks (1.39, 2.88, 41.80 ppm; 3.18 A): 4 out of 30 assignments used, quality = 1.00: * HG3 LYS 95 + HE2 LYS 95 OK 84 100 - 85 - 3.7=64, 2.9/3050=7...(25) HG3 LYS 95 + HE3 LYS 95 OK 84 100 - 85 - 3.7=64, 2.9/3050=7...(25) HG2 LYS 95 + HE2 LYS 95 OK 84 99 - 85 - 3.7=64, 2.9/3050=7...(25) HG2 LYS 95 + HE3 LYS 95 OK 84 99 - 85 - 3.7=64, 2.9/3050=7...(25) HB2 LEU 96 - HE3 LYS 95 poor 9 92 - 10 - 3.8/3042=4, ~11694=1...(4) HB2 LEU 96 - HE2 LYS 95 poor 9 92 - 10 - 3.8/3042=4, ~11694=1...(4) HG3 LYS 31 - HE2 LYS 95 lone 6 92 - 6 - HG3 LYS 31 - HE3 LYS 95 lone 6 92 - 6 - HG3 LYS 26 - HE2 LYS 95 lone 3 96 - 3 - HG3 LYS 26 - HE3 LYS 95 lone 3 96 - 3 - HG2 LYS 24 - HE3 LYS 95 lone 3 87 - 3 - HG2 LYS 24 - HE2 LYS 95 lone 3 87 - 3 - HB3 LEU 100 - HE2 LYS 95 lone 2 87 - 2 - HB3 LEU 100 - HE3 LYS 95 lone 2 87 - 2 - HG2 LYS 36 - HE2 LYS 95 lone 1 92 - 1 - HG2 LYS 36 - HE3 LYS 95 lone 1 92 - 1 - HB2 LEU 42 - HE2 LYS 95 lone 1 81 - 1 - HB2 LEU 42 - HE3 LYS 95 lone 1 81 - 1 - QB ALA 28 - HE3 LYS 95 lone 1 99 - 1 - QB ALA 28 - HE2 LYS 95 lone 1 99 - 1 - QB ALA 108 - HE3 LYS 95 lone 1 100 - 1 - QB ALA 108 - HE2 LYS 95 lone 1 100 - 1 - QB ALA 29 - HE2 LYS 95 lone 1 92 - 1 - QB ALA 29 - HE3 LYS 95 lone 1 92 - 1 - QB ALA 109 - HE3 LYS 95 lone 1 98 - 1 - QB ALA 109 - HE2 LYS 95 lone 1 98 - 1 - QB ALA 15 - HE3 LYS 95 lone 1 98 - 1 - QB ALA 15 - HE2 LYS 95 lone 1 98 - 1 - QB ALA 110 - HE3 LYS 95 lone 1 98 - 1 - QB ALA 110 - HE2 LYS 95 lone 1 98 - 1 - Peak 3038 from cnoeabs.peaks (1.65, 2.88, 41.80 ppm; 2.68 A): 4 out of 32 assignments used, quality = 1.00: HD2 LYS 95 + HE3 LYS 95 OK 81 100 - 81 - 3.0=74, 2.9/3047=4...(11) * HD2 LYS 95 + HE2 LYS 95 OK 81 100 - 81 - 3.0=74, 2.9/3047=4...(11) HD3 LYS 95 + HE2 LYS 95 OK 74 92 - 81 - 3.0=74, 2.9/3036=4...(11) HD3 LYS 95 + HE3 LYS 95 OK 74 92 - 81 - 3.0=74, 2.9/3036=4...(11) HB2 LEU 98 - HE3 LYS 95 lone 6 99 - 6 - 3158/6.4=2 HB2 LEU 98 - HE2 LYS 95 lone 6 99 - 6 - 3158/6.4=2 HD3 LYS 31 - HE2 LYS 95 lone 4 87 - 4 - HD3 LYS 31 - HE3 LYS 95 lone 4 87 - 4 - HD2 LYS 31 - HE2 LYS 95 lone 3 81 - 4 - HD2 LYS 31 - HE3 LYS 95 lone 3 81 - 4 - HD3 LYS 26 - HE3 LYS 95 lone 2 96 - 2 - HD3 LYS 26 - HE2 LYS 95 lone 2 96 - 2 - HD2 LYS 26 - HE2 LYS 95 lone 2 87 - 2 - HD2 LYS 26 - HE3 LYS 95 lone 2 87 - 2 - HD3 LYS 24 - HE2 LYS 95 lone 2 87 - 2 - HD3 LYS 24 - HE3 LYS 95 lone 2 87 - 2 - HB2 LEU 123 - HE2 LYS 95 lone 1 96 - 2 - HB2 LEU 123 - HE3 LYS 95 lone 1 96 - 2 - HD2 LYS 24 - HE3 LYS 95 lone 1 81 - 2 - HD2 LYS 24 - HE2 LYS 95 lone 1 81 - 2 - HD3 LYS 86 - HE3 LYS 95 lone 1 92 - 1 - HD2 LYS 86 - HE3 LYS 95 lone 1 92 - 1 - HD2 LYS 86 - HE2 LYS 95 lone 1 92 - 1 - HD3 LYS 86 - HE2 LYS 95 lone 1 92 - 1 - HG LEU 62 - HE3 LYS 95 lone 1 87 - 1 - HG LEU 62 - HE2 LYS 95 lone 1 87 - 1 - HD2 LYS 19 - HE3 LYS 95 lone 0 92 - 0 - HD2 LYS 19 - HE2 LYS 95 lone 0 92 - 0 - HD3 LYS 19 - HE3 LYS 95 lone 0 92 - 0 - HD3 LYS 19 - HE2 LYS 95 lone 0 92 - 0 - QB ALA 88 - HE2 LYS 95 lone 0 81 - 0 - QB ALA 88 - HE3 LYS 95 lone 0 81 - 0 - Peak 3039 from cnoeabs.peaks (1.66, 2.88, 41.80 ppm; 2.68 A): 4 out of 26 assignments used, quality = 1.00: * HD3 LYS 95 + HE2 LYS 95 OK 81 100 - 81 - 3.0=74, 2.9/3047=4...(11) HD3 LYS 95 + HE3 LYS 95 OK 81 100 - 81 - 3.0=74, 2.9/3047=4...(11) HD2 LYS 95 + HE3 LYS 95 OK 74 92 - 81 - 3.0=74, 2.9/3047=4...(11) HD2 LYS 95 + HE2 LYS 95 OK 74 92 - 81 - 3.0=74, 2.9/3047=4...(11) HD3 LYS 31 - HE2 LYS 95 lone 4 100 - 4 - HD3 LYS 31 - HE3 LYS 95 lone 4 100 - 4 - HD2 LYS 31 - HE2 LYS 95 lone 4 99 - 4 - HD2 LYS 31 - HE3 LYS 95 lone 4 99 - 4 - HB2 LEU 98 - HE3 LYS 95 lone 4 81 - 5 - HB2 LEU 98 - HE2 LYS 95 lone 4 81 - 5 - HD2 LYS 26 - HE2 LYS 95 lone 2 100 - 2 - HD2 LYS 26 - HE3 LYS 95 lone 2 100 - 2 - HD3 LYS 26 - HE2 LYS 95 lone 2 100 - 2 - HD3 LYS 26 - HE3 LYS 95 lone 2 100 - 2 - HD3 LYS 24 - HE2 LYS 95 lone 2 100 - 2 - HD3 LYS 24 - HE3 LYS 95 lone 2 100 - 2 - HD2 LYS 24 - HE2 LYS 95 lone 2 99 - 2 - HD2 LYS 24 - HE3 LYS 95 lone 2 99 - 2 - HB2 LEU 123 - HE3 LYS 95 lone 1 65 - 1 - HB2 LEU 123 - HE2 LYS 95 lone 1 65 - 1 - HD3 LYS 86 - HE2 LYS 95 lone 1 100 - 1 - HD2 LYS 86 - HE3 LYS 95 lone 1 100 - 1 - HD2 LYS 86 - HE2 LYS 95 lone 1 100 - 1 - HD3 LYS 86 - HE3 LYS 95 lone 1 100 - 1 - QB ALA 88 - HE3 LYS 95 lone 0 99 - 0 - QB ALA 88 - HE2 LYS 95 lone 0 99 - 0 - Peak 3040 from cnoeabs.peaks (2.88, 2.88, 41.80 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 95 + HE3 LYS 95 OK 100 100 - 100 * HE2 LYS 95 + HE2 LYS 95 OK 100 100 - 100 Peak 3041 from cnoeabs.peaks (2.88, 2.88, 41.80 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 95 + HE3 LYS 95 OK 100 100 - 100 HE2 LYS 95 + HE2 LYS 95 OK 100 100 - 100 Reference assignment not found: HE3 LYS 95 - HE2 LYS 95 Peak 3042 from cnoeabs.peaks (8.27, 2.88, 41.80 ppm; 5.13 A): 2 out of 6 assignments used, quality = 0.99: * H LEU 96 + HE2 LYS 95 OK 89 100 - 89 - 3.1/3043=18, 3020/3.0=16...(19) H LEU 96 + HE3 LYS 95 OK 89 100 - 89 - 3.1/3043=18, 3020/3.0=16...(19) H ASP 131 - HE2 LYS 95 OK 27 96 - 28 - 3031/3.0=5, 3020/3.0=5...(9) H ASP 131 - HE3 LYS 95 OK 27 96 - 28 - 3031/3.0=5, 3020/3.0=5...(9) H GLU 40 - HE3 LYS 95 OK 15 87 - 17 - 3031/3.0=3, 3020/3.0=3...(8) H GLU 40 - HE2 LYS 95 OK 15 87 - 17 - 3031/3.0=3, 3020/3.0=3...(8) Peak 3043 from cnoeabs.peaks (7.71, 2.88, 41.80 ppm; 4.31 A): 2 out of 4 assignments used, quality = 0.99: H LYS 95 + HE2 LYS 95 OK 92 100 - 92 - 6.7=26, 3021/3.0=18...(26) * H LYS 95 + HE3 LYS 95 OK 92 100 - 92 - 6.7=26, 3021/3.0=18...(26) H LEU 53 - HE2 LYS 95 OK 12 65 - 18 - 2950/6.4=3, 2965/5.3=3...(7) H LEU 53 - HE3 LYS 95 OK 12 65 - 18 - 2950/6.4=3, 2965/5.3=3...(7) Peak 3044 from cnoeabs.peaks (4.02, 2.88, 41.80 ppm; 3.46 A): 2 out of 16 assignments used, quality = 0.96: HA LYS 95 + HE2 LYS 95 OK 80 100 - 80 - 6.4=16, 3022/3.0=10...(29) * HA LYS 95 + HE3 LYS 95 OK 80 100 - 80 - 6.4=16, 3022/3.0=10...(29) HA ILE 37 - HE2 LYS 95 lone 8 100 - 8 - 3022/3.0=2, 3011/3.0=2...(4) HA ILE 37 - HE3 LYS 95 lone 8 100 - 8 - 3022/3.0=2, 3011/3.0=2...(4) HA LEU 103 - HE3 LYS 95 lone 6 98 - 6 - 4.1/11707=1 HA LEU 103 - HE2 LYS 95 lone 6 98 - 6 - 4.1/11707=1 HB2 SER 38 - HE3 LYS 95 lone 4 92 - 4 - HB2 SER 38 - HE2 LYS 95 lone 4 92 - 4 - HA ARG 135 - HE3 LYS 95 lone 4 99 - 4 - HA ARG 135 - HE2 LYS 95 lone 4 99 - 4 - HA SER 60 - HE2 LYS 95 lone 3 57 - 5 - 2.8/6739=2, ~6739=2 HA SER 60 - HE3 LYS 95 lone 3 57 - 5 - 2.8/6739=2, ~6739=2 HA LEU 119 - HE3 LYS 95 lone 2 87 - 2 - HA LEU 119 - HE2 LYS 95 lone 2 87 - 2 - HB3 SER 124 - HE2 LYS 95 lone 1 57 - 1 - HB3 SER 124 - HE3 LYS 95 lone 1 57 - 1 - Peak 3045 from cnoeabs.peaks (1.94, 2.88, 41.80 ppm; 3.40 A): 4 out of 10 assignments used, quality = 1.00: HB2 LYS 95 + HE2 LYS 95 OK 80 100 - 80 - 5.3=26, 3.0/3033=10...(32) * HB2 LYS 95 + HE3 LYS 95 OK 80 100 - 80 - 5.3=26, 3.0/3033=10...(32) HB3 LYS 95 + HE2 LYS 95 OK 79 98 - 80 - 5.3=26, 3.0/3044=10...(32) HB3 LYS 95 + HE3 LYS 95 OK 79 98 - 80 - 5.3=26, 3.0/3044=10...(32) HG LEU 53 - HE2 LYS 95 lone 8 100 - 8 - 1662/6.7=2, 2952/6.4=1 HG LEU 53 - HE3 LYS 95 lone 8 100 - 8 - 1662/6.7=2, 2952/6.4=1 HB3 PRO 81 - HE2 LYS 95 lone 2 73 - 2 - HB3 PRO 81 - HE3 LYS 95 lone 2 73 - 2 - HG2 PRO 113 - HE3 LYS 95 lone 2 92 - 2 - HG2 PRO 113 - HE2 LYS 95 lone 2 92 - 2 - Peak 3046 from cnoeabs.peaks (1.94, 2.88, 41.80 ppm; 3.40 A): 4 out of 12 assignments used, quality = 1.00: * HB3 LYS 95 + HE3 LYS 95 OK 80 100 - 80 - 5.3=26, 3.0/3044=10...(32) HB3 LYS 95 + HE2 LYS 95 OK 80 100 - 80 - 5.3=26, 3.0/3044=10...(32) HB2 LYS 95 + HE3 LYS 95 OK 79 98 - 80 - 5.3=26, 3.0/3033=10...(32) HB2 LYS 95 + HE2 LYS 95 OK 79 98 - 80 - 5.3=26, 3.0/3033=10...(32) HG LEU 53 - HE3 LYS 95 lone 7 96 - 8 - 1662/6.7=2, 2952/6.4=1 HG LEU 53 - HE2 LYS 95 lone 7 96 - 8 - 1662/6.7=2, 2952/6.4=1 HB3 PRO 81 - HE2 LYS 95 lone 2 92 - 3 - HB3 PRO 81 - HE3 LYS 95 lone 2 92 - 3 - HB2 PRO 58 - HE2 LYS 95 lone 2 65 - 3 - 4.3/6718=2 HB2 PRO 58 - HE3 LYS 95 lone 2 65 - 3 - 4.3/6718=2 HG2 PRO 113 - HE3 LYS 95 lone 1 73 - 2 - HG2 PRO 113 - HE2 LYS 95 lone 1 73 - 2 - Peak 3047 from cnoeabs.peaks (1.39, 2.88, 41.80 ppm; 3.18 A): 4 out of 30 assignments used, quality = 1.00: * HG2 LYS 95 + HE3 LYS 95 OK 85 100 - 85 - 3.7=64, 2.9/3050=7...(25) HG2 LYS 95 + HE2 LYS 95 OK 85 100 - 85 - 3.7=64, 2.9/3050=7...(25) HG3 LYS 95 + HE3 LYS 95 OK 84 99 - 85 - 3.7=64, 2.9/3050=7...(25) HG3 LYS 95 + HE2 LYS 95 OK 84 99 - 85 - 3.7=64, 2.9/3050=7...(25) HB2 LEU 96 - HE3 LYS 95 poor 8 81 - 10 - 3.8/3042=4, ~11694=1...(4) HB2 LEU 96 - HE2 LYS 95 poor 8 81 - 10 - 3.8/3042=4, ~11694=1...(4) HG3 LYS 31 - HE2 LYS 95 lone 6 98 - 6 - HG3 LYS 31 - HE3 LYS 95 lone 6 98 - 6 - HG3 LYS 26 - HE2 LYS 95 lone 3 87 - 3 - HG3 LYS 26 - HE3 LYS 95 lone 3 87 - 3 - HG2 LYS 24 - HE3 LYS 95 lone 2 73 - 3 - HG2 LYS 24 - HE2 LYS 95 lone 2 73 - 3 - HB3 LEU 100 - HE2 LYS 95 lone 1 73 - 2 - HB3 LEU 100 - HE3 LYS 95 lone 1 73 - 2 - HG2 LYS 36 - HE2 LYS 95 lone 1 81 - 1 - HG2 LYS 36 - HE3 LYS 95 lone 1 81 - 1 - HB2 LEU 42 - HE2 LYS 95 lone 1 65 - 1 - HB2 LEU 42 - HE3 LYS 95 lone 1 65 - 1 - QB ALA 28 - HE3 LYS 95 lone 1 96 - 1 - QB ALA 28 - HE2 LYS 95 lone 1 96 - 1 - QB ALA 108 - HE2 LYS 95 lone 1 98 - 1 - QB ALA 108 - HE3 LYS 95 lone 1 98 - 1 - QB ALA 109 - HE2 LYS 95 lone 1 100 - 1 - QB ALA 109 - HE3 LYS 95 lone 1 100 - 1 - QB ALA 29 - HE2 LYS 95 lone 1 81 - 1 - QB ALA 29 - HE3 LYS 95 lone 1 81 - 1 - QB ALA 15 - HE3 LYS 95 lone 1 92 - 1 - QB ALA 15 - HE2 LYS 95 lone 1 92 - 1 - QB ALA 110 - HE3 LYS 95 lone 1 92 - 1 - QB ALA 110 - HE2 LYS 95 lone 1 92 - 1 - Peak 3048 from cnoeabs.peaks (1.39, 2.88, 41.80 ppm; 3.18 A): 4 out of 30 assignments used, quality = 1.00: HG3 LYS 95 + HE2 LYS 95 OK 84 100 - 85 - 3.7=64, 2.9/3050=7...(25) * HG3 LYS 95 + HE3 LYS 95 OK 84 100 - 85 - 3.7=64, 2.9/3050=7...(25) HG2 LYS 95 + HE2 LYS 95 OK 84 99 - 85 - 3.7=64, 2.9/3050=7...(25) HG2 LYS 95 + HE3 LYS 95 OK 84 99 - 85 - 3.7=64, 2.9/3050=7...(25) HB2 LEU 96 - HE3 LYS 95 poor 9 92 - 10 - 3.8/3042=4, ~11694=1...(4) HB2 LEU 96 - HE2 LYS 95 poor 9 92 - 10 - 3.8/3042=4, ~11694=1...(4) HG3 LYS 31 - HE2 LYS 95 lone 6 92 - 6 - HG3 LYS 31 - HE3 LYS 95 lone 6 92 - 6 - HG3 LYS 26 - HE2 LYS 95 lone 3 96 - 3 - HG3 LYS 26 - HE3 LYS 95 lone 3 96 - 3 - HG2 LYS 24 - HE3 LYS 95 lone 3 87 - 3 - HG2 LYS 24 - HE2 LYS 95 lone 3 87 - 3 - HB3 LEU 100 - HE2 LYS 95 lone 2 87 - 2 - HB3 LEU 100 - HE3 LYS 95 lone 2 87 - 2 - HG2 LYS 36 - HE2 LYS 95 lone 1 92 - 1 - HG2 LYS 36 - HE3 LYS 95 lone 1 92 - 1 - HB2 LEU 42 - HE2 LYS 95 lone 1 81 - 1 - HB2 LEU 42 - HE3 LYS 95 lone 1 81 - 1 - QB ALA 28 - HE3 LYS 95 lone 1 99 - 1 - QB ALA 28 - HE2 LYS 95 lone 1 99 - 1 - QB ALA 108 - HE3 LYS 95 lone 1 100 - 1 - QB ALA 108 - HE2 LYS 95 lone 1 100 - 1 - QB ALA 29 - HE2 LYS 95 lone 1 92 - 1 - QB ALA 29 - HE3 LYS 95 lone 1 92 - 1 - QB ALA 109 - HE3 LYS 95 lone 1 98 - 1 - QB ALA 109 - HE2 LYS 95 lone 1 98 - 1 - QB ALA 15 - HE3 LYS 95 lone 1 98 - 1 - QB ALA 15 - HE2 LYS 95 lone 1 98 - 1 - QB ALA 110 - HE3 LYS 95 lone 1 98 - 1 - QB ALA 110 - HE2 LYS 95 lone 1 98 - 1 - Peak 3049 from cnoeabs.peaks (1.65, 2.88, 41.80 ppm; 2.68 A): 4 out of 32 assignments used, quality = 1.00: * HD2 LYS 95 + HE3 LYS 95 OK 81 100 - 81 - 3.0=74, 2.9/3047=4...(11) HD2 LYS 95 + HE2 LYS 95 OK 81 100 - 81 - 3.0=74, 2.9/3047=4...(11) HD3 LYS 95 + HE2 LYS 95 OK 74 92 - 81 - 3.0=74, 2.9/3036=4...(11) HD3 LYS 95 + HE3 LYS 95 OK 74 92 - 81 - 3.0=74, 2.9/3036=4...(11) HB2 LEU 98 - HE3 LYS 95 lone 6 99 - 6 - 3158/6.4=2 HB2 LEU 98 - HE2 LYS 95 lone 6 99 - 6 - 3158/6.4=2 HD3 LYS 31 - HE2 LYS 95 lone 4 87 - 4 - HD3 LYS 31 - HE3 LYS 95 lone 4 87 - 4 - HD2 LYS 31 - HE2 LYS 95 lone 3 81 - 4 - HD2 LYS 31 - HE3 LYS 95 lone 3 81 - 4 - HD3 LYS 26 - HE3 LYS 95 lone 2 96 - 2 - HD3 LYS 26 - HE2 LYS 95 lone 2 96 - 2 - HD2 LYS 26 - HE2 LYS 95 lone 2 87 - 2 - HD2 LYS 26 - HE3 LYS 95 lone 2 87 - 2 - HD3 LYS 24 - HE2 LYS 95 lone 2 87 - 2 - HD3 LYS 24 - HE3 LYS 95 lone 2 87 - 2 - HB2 LEU 123 - HE2 LYS 95 lone 1 96 - 2 - HB2 LEU 123 - HE3 LYS 95 lone 1 96 - 2 - HD2 LYS 24 - HE3 LYS 95 lone 1 81 - 2 - HD2 LYS 24 - HE2 LYS 95 lone 1 81 - 2 - HD3 LYS 86 - HE3 LYS 95 lone 1 92 - 1 - HD2 LYS 86 - HE3 LYS 95 lone 1 92 - 1 - HD2 LYS 86 - HE2 LYS 95 lone 1 92 - 1 - HD3 LYS 86 - HE2 LYS 95 lone 1 92 - 1 - HG LEU 62 - HE3 LYS 95 lone 1 87 - 1 - HG LEU 62 - HE2 LYS 95 lone 1 87 - 1 - HD2 LYS 19 - HE3 LYS 95 lone 0 92 - 0 - HD2 LYS 19 - HE2 LYS 95 lone 0 92 - 0 - HD3 LYS 19 - HE3 LYS 95 lone 0 92 - 0 - HD3 LYS 19 - HE2 LYS 95 lone 0 92 - 0 - QB ALA 88 - HE2 LYS 95 lone 0 81 - 0 - QB ALA 88 - HE3 LYS 95 lone 0 81 - 0 - Peak 3050 from cnoeabs.peaks (1.66, 2.88, 41.80 ppm; 2.68 A): 4 out of 26 assignments used, quality = 1.00: HD3 LYS 95 + HE2 LYS 95 OK 81 100 - 81 - 3.0=74, 2.9/3047=4...(11) * HD3 LYS 95 + HE3 LYS 95 OK 81 100 - 81 - 3.0=74, 2.9/3047=4...(11) HD2 LYS 95 + HE3 LYS 95 OK 74 92 - 81 - 3.0=74, 2.9/3047=4...(11) HD2 LYS 95 + HE2 LYS 95 OK 74 92 - 81 - 3.0=74, 2.9/3047=4...(11) HD3 LYS 31 - HE2 LYS 95 lone 4 100 - 4 - HD3 LYS 31 - HE3 LYS 95 lone 4 100 - 4 - HD2 LYS 31 - HE2 LYS 95 lone 4 99 - 4 - HD2 LYS 31 - HE3 LYS 95 lone 4 99 - 4 - HB2 LEU 98 - HE3 LYS 95 lone 4 81 - 5 - HB2 LEU 98 - HE2 LYS 95 lone 4 81 - 5 - HD2 LYS 26 - HE2 LYS 95 lone 2 100 - 2 - HD2 LYS 26 - HE3 LYS 95 lone 2 100 - 2 - HD3 LYS 26 - HE2 LYS 95 lone 2 100 - 2 - HD3 LYS 26 - HE3 LYS 95 lone 2 100 - 2 - HD3 LYS 24 - HE2 LYS 95 lone 2 100 - 2 - HD3 LYS 24 - HE3 LYS 95 lone 2 100 - 2 - HD2 LYS 24 - HE2 LYS 95 lone 2 99 - 2 - HD2 LYS 24 - HE3 LYS 95 lone 2 99 - 2 - HB2 LEU 123 - HE3 LYS 95 lone 1 65 - 1 - HB2 LEU 123 - HE2 LYS 95 lone 1 65 - 1 - HD3 LYS 86 - HE2 LYS 95 lone 1 100 - 1 - HD2 LYS 86 - HE3 LYS 95 lone 1 100 - 1 - HD2 LYS 86 - HE2 LYS 95 lone 1 100 - 1 - HD3 LYS 86 - HE3 LYS 95 lone 1 100 - 1 - QB ALA 88 - HE3 LYS 95 lone 0 99 - 0 - QB ALA 88 - HE2 LYS 95 lone 0 99 - 0 - Peak 3051 from cnoeabs.peaks (2.88, 2.88, 41.80 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 95 + HE3 LYS 95 OK 100 100 - 100 HE2 LYS 95 + HE2 LYS 95 OK 100 100 - 100 Reference assignment not found: HE2 LYS 95 - HE3 LYS 95 Peak 3052 from cnoeabs.peaks (2.88, 2.88, 41.80 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 95 + HE3 LYS 95 OK 100 100 - 100 HE2 LYS 95 + HE2 LYS 95 OK 100 100 - 100 Peak 3053 from cnoeabs.peaks (8.27, 2.88, 41.80 ppm; 5.13 A): 2 out of 6 assignments used, quality = 0.99: H LEU 96 + HE2 LYS 95 OK 89 100 - 89 - 3.1/3043=18, 3020/3.0=16...(19) * H LEU 96 + HE3 LYS 95 OK 89 100 - 89 - 3.1/3043=18, 3020/3.0=16...(19) H ASP 131 - HE2 LYS 95 OK 27 96 - 28 - 3031/3.0=5, 3020/3.0=5...(9) H ASP 131 - HE3 LYS 95 OK 27 96 - 28 - 3031/3.0=5, 3020/3.0=5...(9) H GLU 40 - HE3 LYS 95 OK 15 87 - 17 - 3031/3.0=3, 3020/3.0=3...(8) H GLU 40 - HE2 LYS 95 OK 15 87 - 17 - 3031/3.0=3, 3020/3.0=3...(8) Peak 3054 from cnoeabs.peaks (8.27, 4.04, 58.64 ppm; 4.08 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 96 + HA LEU 96 OK 100 100 - 100 - 2.9=100 H ASP 131 - HA LEU 96 OK 35 96 - 37 - 3075/3.0=6, 3091/4.0=6...(9) H GLU 40 - HA LEU 96 OK 27 87 - 31 - 10926/3.7=9, 3066/3.0=5...(8) Peak 3055 from cnoeabs.peaks (4.04, 4.04, 58.64 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 96 + HA LEU 96 OK 100 100 - 100 Peak 3056 from cnoeabs.peaks (1.38, 4.04, 58.64 ppm; 4.95 A): 4 out of 14 assignments used, quality = 1.00: * HB2 LEU 96 + HA LEU 96 OK 100 100 - 100 - 3.0=100 HG3 LYS 95 + HA LEU 96 OK 76 92 - 82 - 7325/2.9=11, 3000/4.9=9...(30) HG2 LYS 95 + HA LEU 96 OK 66 81 - 82 - 7319/2.9=10, ~7316=9...(30) HB3 LEU 100 + HA LEU 96 OK 59 100 - 59 - 3.9/7388=16, 3240/5.0=11...(17) HB2 LEU 42 - HA LEU 96 OK 43 99 - 44 - ~11354=7, 4.6/3062=4...(16) HG2 LYS 36 - HA LEU 96 OK 13 100 - 13 - 7325/2.9=1, 3093/4.0=1...(6) HG3 LYS 26 - HA LEU 96 OK 13 100 - 13 - 3093/4.0=1, 3077/3.0=1...(5) QB ALA 15 - HA LEU 96 OK 11 99 - 11 - 4.7/3058=4, 3077/3.0=1 HG2 LYS 24 - HA LEU 96 OK 11 100 - 11 - 3093/4.0=1, 3085/3.7=1 QB ALA 29 - HA LEU 96 OK 11 100 - 11 - ~7313=2, 7339/3.6=1 QB ALA 28 - HA LEU 96 lone 9 98 - 9 - ~7313=1 QB ALA 110 - HA LEU 96 lone 9 99 - 8 - 4.7/3058=1 QB ALA 108 - HA LEU 96 lone 7 96 - 7 - 4.6/3058=1 QB ALA 109 - HA LEU 96 lone 4 73 - 5 - Peak 3057 from cnoeabs.peaks (2.23, 4.04, 58.64 ppm; 3.62 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LEU 96 + HA LEU 96 OK 100 100 - 100 - 3.0=100 HB3 GLU 102 - HA LEU 96 OK 23 81 - 29 - 7340/3.6=4, 7326/2.9=4...(10) HG2 GLN 68 - HA LEU 96 OK 19 92 - 21 - 3069/3.0=3, 7340/3.6=3...(7) HG2 GLU 91 - HA LEU 96 poor 9 65 - 13 - 9914/3.7=2, 3069/3.0=2...(5) HB3 GLN 127 - HA LEU 96 lone 2 57 - 3 - Peak 3058 from cnoeabs.peaks (1.40, 4.04, 58.64 ppm; 5.33 A): 1 out of 4 assignments used, quality = 1.00: * HG LEU 96 + HA LEU 96 OK 100 100 - 100 - 3.7=100 HG3 LYS 31 - HA LEU 96 OK 28 81 - 35 - 3079/3.0=7, 7327/2.9=7...(8) QB ALA 16 - HA LEU 96 OK 25 81 - 31 - 3079/3.0=6, 7341/3.6=6...(7) QB ALA 109 - HA LEU 96 poor 9 65 - 13 - 3079/3.0=2, 3070/3.0=2...(6) Peak 3059 from cnoeabs.peaks (0.75, 4.04, 58.64 ppm; 3.90 A): 3 out of 5 assignments used, quality = 1.00: * QD2 LEU 96 + HA LEU 96 OK 99 100 - 99 - 4.0=95, 2.1/3100=28...(12) QG1 VAL 93 + HA LEU 96 OK 74 100 - 75 - 9973/3.0=17...(16) HG12 ILE 129 + HA LEU 96 OK 52 100 - 52 - ~9982=15, ~10453=9...(10) QD2 LEU 43 - HA LEU 96 OK 12 87 - 14 - 4.4/3062=3, 7328/2.9=2...(7) QD2 LEU 103 - HA LEU 96 OK 10 73 - 14 - 11852/5.0=4, 7342/3.6=3...(5) Peak 3060 from cnoeabs.peaks (0.77, 4.04, 58.64 ppm; 3.73 A): 1 out of 3 assignments used, quality = 0.96: * QD1 LEU 96 + HA LEU 96 OK 96 100 - 96 - 4.0=83, 7329/2.9=20...(14) QD1 ILE 32 - HA LEU 96 OK 34 92 - 37 - 7329/2.9=7, 3072/3.0=7...(9) QD1 ILE 37 - HA LEU 96 OK 16 81 - 20 - 3072/3.0=4, 3089/3.7=4...(6) Peak 3061 from cnoeabs.peaks (8.50, 4.04, 58.64 ppm; 4.71 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 97 + HA LEU 96 OK 100 100 - 100 - 3.6=100 Peak 3062 from cnoeabs.peaks (8.29, 4.04, 58.64 ppm; 3.83 A): 3 out of 5 assignments used, quality = 0.86: * H SER 99 + HA LEU 96 OK 80 100 - 80 - 3.7/3064=30, 7372=26...(11) H LEU 43 + HA LEU 96 OK 17 96 - 18 - 7350/3.6=4, 6500/3.0=3...(6) H VAL 126 + HA LEU 96 OK 14 100 - 14 - 7350/3.6=2, 3215/3064=2...(4) H LEU 69 - HA LEU 96 lone 8 81 - 10 - 11056/4.0=2, 7350/3.6=2 H ALA 110 - HA LEU 96 lone 3 65 - 4 - Peak 3063 from cnoeabs.peaks (3.76, 4.04, 58.64 ppm; 5.87 A): 2 out of 3 assignments used, quality = 1.00: HA GLU 97 + HA LEU 96 OK 98 98 - 100 - 5.0=100 * HB2 SER 99 + HA LEU 96 OK 83 100 - 83 - 1.8/3064=45, 3.7/3062=30...(8) HA VAL 133 - HA LEU 96 OK 29 73 - 39 - 7344/3.6=12, ~11665=9...(7) Peak 3064 from cnoeabs.peaks (4.00, 4.04, 58.64 ppm; 2.50 A): 0 out of 5 assignments used, low quality = 0.32: ! HB3 SER 99 - HA LEU 96 OK 32 100 - 32 - 3214=15, 1.8/3208=8...(5) HB2 SER 38 - HA LEU 96 lone 2 65 - 3 - ~10921=1 HB2 SER 124 - HA LEU 96 lone 1 57 - 1 - HA SER 50 - HA LEU 96 lone 0 65 - 1 - HA SER 60 - HA LEU 96 lone 0 96 - 0 - Peak 3066 from cnoeabs.peaks (8.27, 1.38, 41.04 ppm; 4.83 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 96 + HB2 LEU 96 OK 100 100 - 100 - 3.8=100 H ASP 131 - HB2 LEU 96 OK 41 96 - 43 - 3075/1.8=10, 3091/3.2=9...(6) H GLU 40 - HB2 LEU 96 OK 36 87 - 42 - 10926/3.0=15, 3075/1.8=8...(7) Peak 3067 from cnoeabs.peaks (4.04, 1.38, 41.04 ppm; 5.20 A): 2 out of 6 assignments used, quality = 1.00: * HA LEU 96 + HB2 LEU 96 OK 100 100 - 100 - 3.0=100 HA ALA 92 + HB2 LEU 96 OK 51 87 - 60 - 7310/3.8=10, 3092/3.2=9...(15) HA GLU 102 - HB2 LEU 96 OK 31 65 - 48 - 3.0/3069=7, 7338/4.4=5...(17) HD3 PRO 81 - HB2 LEU 96 OK 31 96 - 32 - ~2485=4, 7324/3.8=4...(11) HA GLU 44 - HB2 LEU 96 OK 18 81 - 21 - 3.7/10948=5, ~6524=2...(11) HA LEU 122 - HB2 LEU 96 OK 12 73 - 16 - 3084/3.0=2, 3100/3.2=2...(8) Peak 3068 from cnoeabs.peaks (1.38, 1.38, 41.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 96 + HB2 LEU 96 OK 100 100 - 100 Peak 3069 from cnoeabs.peaks (2.23, 1.38, 41.04 ppm; 4.77 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LEU 96 + HB2 LEU 96 OK 100 100 - 100 - 1.8=100 HB3 GLU 102 - HB2 LEU 96 OK 38 81 - 47 - 3057/3.0=6, 3094/3.2=6...(18) HG2 GLN 68 - HB2 LEU 96 OK 36 92 - 39 - 3.7/11040=6, 3102/3.2=6...(12) HG2 GLU 91 - HB2 LEU 96 OK 23 65 - 35 - ~9911=9, 3.9/11307=7...(11) HB3 GLN 127 - HB2 LEU 96 lone 3 57 - 6 - Peak 3070 from cnoeabs.peaks (1.40, 1.38, 41.04 ppm; 3.72 A): 1 out of 4 assignments used, quality = 1.00: * HG LEU 96 + HB2 LEU 96 OK 100 100 - 100 - 3.0=100 HG3 LYS 31 - HB2 LEU 96 OK 18 81 - 23 - 3079/1.8=4, 3095/3.2=4...(7) QB ALA 16 - HB2 LEU 96 OK 17 81 - 21 - 3079/1.8=4, 3095/3.2=3...(7) QB ALA 109 - HB2 LEU 96 lone 5 65 - 7 - 3079/1.8=1 Peak 3071 from cnoeabs.peaks (0.75, 1.38, 41.04 ppm; 3.81 A): 2 out of 5 assignments used, quality = 1.00: * QD2 LEU 96 + HB2 LEU 96 OK 100 100 - 100 - 3.2=100 QG1 VAL 93 + HB2 LEU 96 OK 69 100 - 69 - 9973/1.8=20, ~9971=11...(14) HG12 ILE 129 - HB2 LEU 96 OK 45 100 - 45 - ~10492=10, ~11354=8...(12) QD2 LEU 43 - HB2 LEU 96 OK 13 87 - 15 - 4.4/6500=2, 3080/1.8=2...(7) QD2 LEU 103 - HB2 LEU 96 poor 9 73 - 12 - 7342/4.4=2, 3080/1.8=1...(5) Peak 3072 from cnoeabs.peaks (0.77, 1.38, 41.04 ppm; 3.91 A): 1 out of 3 assignments used, quality = 1.00: * QD1 LEU 96 + HB2 LEU 96 OK 100 100 - 100 - 3.2=100 QD1 ILE 32 - HB2 LEU 96 OK 44 92 - 48 - 3081/1.8=9, 3.0/11824=8...(13) QD1 ILE 37 - HB2 LEU 96 OK 25 81 - 30 - ~10911=7, 3081/1.8=5...(9) Peak 3073 from cnoeabs.peaks (8.50, 1.38, 41.04 ppm; 5.24 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 97 + HB2 LEU 96 OK 100 100 - 100 - 4.4=100 Peak 3074 from cnoeabs.peaks (3.25, 2.23, 41.04 ppm; 6.32 A): 1 out of 2 assignments used, quality = 0.97: * HA VAL 93 + HB3 LEU 96 OK 97 100 - 97 - 11691/3.2=40...(20) HB3 HIS 10 - HB3 LEU 96 OK 24 96 - 25 - 7311/3.8=7, 11691/3.2=6...(6) Peak 3075 from cnoeabs.peaks (8.27, 2.23, 41.04 ppm; 5.01 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 96 + HB3 LEU 96 OK 100 100 - 100 - 3.8=100 H ASP 131 + HB3 LEU 96 OK 47 96 - 49 - 3066/1.8=10, 3091/3.2=9...(10) H GLU 40 - HB3 LEU 96 OK 36 87 - 42 - 10926/3.0=16, 3066/1.8=9...(6) Peak 3076 from cnoeabs.peaks (4.04, 2.23, 41.04 ppm; 6.80 A): 2 out of 6 assignments used, quality = 1.00: * HA LEU 96 + HB3 LEU 96 OK 100 100 - 100 - 3.0=100 HA ALA 92 + HB3 LEU 96 OK 66 87 - 76 - 4.9/3074=26, 7310/3.8=12...(16) HD3 PRO 81 - HB3 LEU 96 OK 41 96 - 43 - 3067/1.8=6, ~2493=6...(12) HA GLU 102 - HB3 LEU 96 OK 39 65 - 60 - ~3069=8, 7338/4.4=7...(20) HA GLU 44 - HB3 LEU 96 OK 20 81 - 24 - 3067/1.8=4, ~6524=4...(10) HA LEU 122 - HB3 LEU 96 OK 14 73 - 19 - 3067/1.8=2, 3084/3.0=2...(9) Peak 3077 from cnoeabs.peaks (1.38, 2.23, 41.04 ppm; 4.49 A): 1 out of 14 assignments used, quality = 1.00: * HB2 LEU 96 + HB3 LEU 96 OK 100 100 - 100 - 1.8=100 HG3 LYS 95 - HB3 LEU 96 OK 43 92 - 47 - 7325/3.8=8, 3056/3.0=5...(21) HB3 LEU 100 - HB3 LEU 96 OK 38 100 - 39 - 3.2/10025=8, 7339/4.4=4...(13) HB2 LEU 42 - HB3 LEU 96 OK 38 99 - 39 - 3.2/11354=9, ~1309=5...(13) HG2 LYS 95 - HB3 LEU 96 OK 37 81 - 46 - 7319/3.8=8, 3056/3.0=4...(21) HG2 LYS 36 - HB3 LEU 96 OK 11 100 - 10 - 3093/3.2=1, 3101/3.2=1 QB ALA 15 - HB3 LEU 96 OK 10 99 - 10 - 4.7/3079=4 HG3 LYS 26 - HB3 LEU 96 lone 10 100 - 10 - 3093/3.2=1, 3101/3.2=1 HG2 LYS 24 - HB3 LEU 96 lone 9 100 - 9 - 3093/3.2=1, 3085/3.0=1 QB ALA 110 - HB3 LEU 96 lone 6 99 - 6 - QB ALA 29 - HB3 LEU 96 lone 6 100 - 6 - QB ALA 28 - HB3 LEU 96 lone 5 98 - 5 - QB ALA 108 - HB3 LEU 96 lone 5 96 - 5 - 4.6/3079=1 QB ALA 109 - HB3 LEU 96 lone 3 73 - 3 - Peak 3078 from cnoeabs.peaks (2.23, 2.23, 41.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 96 + HB3 LEU 96 OK 100 100 - 100 Peak 3079 from cnoeabs.peaks (1.40, 2.23, 41.04 ppm; 4.53 A): 1 out of 4 assignments used, quality = 1.00: * HG LEU 96 + HB3 LEU 96 OK 100 100 - 100 - 3.0=100 HG3 LYS 31 - HB3 LEU 96 OK 25 81 - 32 - 3070/1.8=6, 3095/3.2=5...(9) QB ALA 16 - HB3 LEU 96 OK 25 81 - 30 - 3070/1.8=6, 7341/4.4=4...(11) QB ALA 109 - HB3 LEU 96 lone 7 65 - 10 - 3070/1.8=2, 3058/3.0=1...(6) Peak 3080 from cnoeabs.peaks (0.75, 2.23, 41.04 ppm; 4.11 A): 3 out of 5 assignments used, quality = 1.00: * QD2 LEU 96 + HB3 LEU 96 OK 100 100 - 100 - 3.2=100 QG1 VAL 93 + HB3 LEU 96 OK 78 100 - 78 - 9973=29, 11330/3.8=12...(16) HG12 ILE 129 + HB3 LEU 96 OK 47 100 - 47 - 2.1/11354=11, 3071/1.8=8...(14) QD2 LEU 43 - HB3 LEU 96 OK 14 87 - 16 - 3071/1.8=2, 3104/3.2=2...(7) QD2 LEU 103 - HB3 LEU 96 OK 10 73 - 13 - 7342/4.4=3, 3071/1.8=2...(5) Peak 3081 from cnoeabs.peaks (0.77, 2.23, 41.04 ppm; 4.35 A): 2 out of 3 assignments used, quality = 1.00: * QD1 LEU 96 + HB3 LEU 96 OK 100 100 - 100 - 3.2=100 QD1 ILE 32 + HB3 LEU 96 OK 51 92 - 56 - 3072/1.8=11, 3089/3.0=9...(13) QD1 ILE 37 - HB3 LEU 96 OK 29 81 - 35 - ~10911=9, 3072/1.8=6...(11) Peak 3082 from cnoeabs.peaks (8.50, 2.23, 41.04 ppm; 6.50 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 97 + HB3 LEU 96 OK 100 100 - 100 - 4.4=100 Peak 3083 from cnoeabs.peaks (8.27, 1.40, 27.00 ppm; 4.75 A): 1 out of 3 assignments used, quality = 0.98: * H LEU 96 + HG LEU 96 OK 98 100 - 98 - 5.0=85, 7329/2.1=31...(17) H ASP 131 - HG LEU 96 OK 45 96 - 47 - 3091/2.1=10, 3099/2.1=10...(9) H GLU 40 - HG LEU 96 OK 38 87 - 44 - 10926=16, 3099/2.1=7...(8) Peak 3084 from cnoeabs.peaks (4.04, 1.40, 27.00 ppm; 4.42 A): 1 out of 6 assignments used, quality = 1.00: * HA LEU 96 + HG LEU 96 OK 100 100 - 100 - 3.7=100 HA ALA 92 - HG LEU 96 OK 34 87 - 39 - 3092/2.1=9, 3100/2.1=7...(11) HA GLU 102 - HG LEU 96 OK 21 65 - 32 - 3.0/3086=5, 3092/2.1=4...(13) HD3 PRO 81 - HG LEU 96 OK 16 96 - 17 - 3067/3.0=3, 4.0/11176=3...(6) HA GLU 44 - HG LEU 96 poor 9 81 - 11 - ~6524=2, 3092/2.1=2...(4) HA LEU 122 - HG LEU 96 poor 9 73 - 12 - 3865/10385=4, 3100/2.1=2...(4) Peak 3085 from cnoeabs.peaks (1.38, 1.40, 27.00 ppm; 3.48 A): 1 out of 14 assignments used, quality = 1.00: * HB2 LEU 96 + HG LEU 96 OK 100 100 - 100 - 3.0=100 HG3 LYS 95 - HG LEU 96 OK 23 92 - 26 - 3101/2.1=4, 3093/2.1=4...(9) HB3 LEU 100 - HG LEU 96 OK 20 100 - 21 - 3101/2.1=3, 3093/2.1=3...(10) HG2 LYS 95 - HG LEU 96 OK 20 81 - 25 - 3101/2.1=3, 3093/2.1=3...(9) HB2 LEU 42 - HG LEU 96 OK 19 99 - 19 - 3093/2.1=3, 3101/2.1=3...(10) HG2 LYS 24 - HG LEU 96 lone 6 100 - 6 - 3093/2.1=1 HG3 LYS 26 - HG LEU 96 lone 6 100 - 6 - 3093/2.1=1, 3101/2.1=1 HG2 LYS 36 - HG LEU 96 lone 6 100 - 6 - 3093/2.1=1, 3101/2.1=1 QB ALA 15 - HG LEU 96 lone 5 99 - 5 - 3.7/6126=1 QB ALA 29 - HG LEU 96 lone 3 100 - 3 - QB ALA 110 - HG LEU 96 lone 3 99 - 3 - QB ALA 28 - HG LEU 96 lone 3 98 - 3 - QB ALA 108 - HG LEU 96 lone 2 96 - 2 - QB ALA 109 - HG LEU 96 lone 2 73 - 2 - Peak 3086 from cnoeabs.peaks (2.23, 1.40, 27.00 ppm; 4.84 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LEU 96 + HG LEU 96 OK 100 100 - 100 - 3.0=100 HB3 GLU 102 - HG LEU 96 OK 34 81 - 43 - 3094/2.1=7, 3102/2.1=7...(15) HG2 GLN 68 - HG LEU 96 OK 30 92 - 33 - 3102/2.1=7, 3069/3.0=6...(11) HG2 GLU 91 - HG LEU 96 OK 22 65 - 33 - 1.8/9911=13, 9914=4...(10) HB3 GLN 127 - HG LEU 96 lone 3 57 - 5 - Peak 3087 from cnoeabs.peaks (1.40, 1.40, 27.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 96 + HG LEU 96 OK 100 100 - 100 Peak 3088 from cnoeabs.peaks (0.75, 1.40, 27.00 ppm; 3.47 A): 2 out of 5 assignments used, quality = 1.00: * QD2 LEU 96 + HG LEU 96 OK 100 100 - 100 - 2.1=100 QG1 VAL 93 + HG LEU 96 OK 62 100 - 62 - 9973/3.0=13, ~11691=9...(17) HG12 ILE 129 - HG LEU 96 OK 36 100 - 36 - ~10492=6, 3104/2.1=5...(11) QD2 LEU 43 - HG LEU 96 OK 10 87 - 12 - 3104/2.1=2, 3071/3.0=1...(4) QD2 LEU 103 - HG LEU 96 lone 7 73 - 10 - 9362/9359=2, ~3394=1 Peak 3089 from cnoeabs.peaks (0.77, 1.40, 27.00 ppm; 3.51 A): 1 out of 3 assignments used, quality = 1.00: * QD1 LEU 96 + HG LEU 96 OK 100 100 - 100 - 2.1=100 QD1 ILE 32 - HG LEU 96 OK 37 92 - 40 - 3072/3.0=6, 3097/2.1=6...(14) QD1 ILE 37 - HG LEU 96 OK 24 81 - 30 - 3.0/10911=13, 3097/2.1=4...(9) Peak 3090 from cnoeabs.peaks (8.50, 1.40, 27.00 ppm; 5.47 A): 1 out of 1 assignment used, quality = 0.98: * H GLU 97 + HG LEU 96 OK 98 100 - 98 - 3106/2.1=47, 3098/2.1=47...(16) Peak 3091 from cnoeabs.peaks (8.27, 0.75, 26.15 ppm; 4.12 A): 2 out of 3 assignments used, quality = 0.96: * H LEU 96 + QD2 LEU 96 OK 93 100 - 93 - 5.1=54, 7327/2.1=31...(15) H ASP 131 + QD2 LEU 96 OK 37 96 - 38 - 3099/2.1=8, 3083/2.1=7...(11) H GLU 40 - QD2 LEU 96 OK 26 87 - 29 - 10926/2.1=10, 3099/2.1=6...(6) Peak 3092 from cnoeabs.peaks (4.04, 0.75, 26.15 ppm; 4.11 A): 1 out of 6 assignments used, quality = 1.00: * HA LEU 96 + QD2 LEU 96 OK 100 100 - 100 - 4.0=100 HA ALA 92 - QD2 LEU 96 OK 41 87 - 47 - 4.9/11691=15, 3.6/7271=7...(13) HA GLU 102 - QD2 LEU 96 OK 19 65 - 29 - 3.0/3094=5, 3100/2.1=4...(12) HD3 PRO 81 - QD2 LEU 96 OK 12 96 - 13 - 3084/2.1=3, 3067/3.2=3...(5) HA GLU 44 - QD2 LEU 96 poor 9 81 - 11 - 2.8/6524=2, 3100/2.1=2...(5) HA LEU 122 - QD2 LEU 96 lone 7 73 - 9 - 3864/10382=2, 3084/2.1=2...(4) Peak 3093 from cnoeabs.peaks (1.38, 0.75, 26.15 ppm; 3.32 A): 1 out of 14 assignments used, quality = 1.00: * HB2 LEU 96 + QD2 LEU 96 OK 100 100 - 100 - 3.2=100 HG3 LYS 95 - QD2 LEU 96 OK 24 92 - 27 - 2.9/11694=4, 3101/2.1=4...(10) HG2 LYS 95 - QD2 LEU 96 OK 20 81 - 26 - 2.9/11694=4, 3101/2.1=3...(10) HB2 LEU 42 - QD2 LEU 96 OK 18 99 - 19 - 3101/2.1=3, 3085/2.1=3...(10) HB3 LEU 100 - QD2 LEU 96 OK 18 100 - 19 - 3101/2.1=3, 3085/2.1=3...(9) HG2 LYS 36 - QD2 LEU 96 lone 7 100 - 7 - 3101/2.1=1 HG3 LYS 26 - QD2 LEU 96 lone 7 100 - 7 - 2.9/11694=1, 3101/2.1=1 HG2 LYS 24 - QD2 LEU 96 lone 6 100 - 6 - 3.0/11694=1, 3.0/11694=1 QB ALA 15 - QD2 LEU 96 lone 5 99 - 5 - 4.7/3095=1 QB ALA 29 - QD2 LEU 96 lone 3 100 - 3 - QB ALA 110 - QD2 LEU 96 lone 3 99 - 3 - QB ALA 28 - QD2 LEU 96 lone 3 98 - 3 - QB ALA 108 - QD2 LEU 96 lone 2 96 - 2 - QB ALA 109 - QD2 LEU 96 lone 1 73 - 2 - Peak 3094 from cnoeabs.peaks (2.23, 0.75, 26.15 ppm; 3.90 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LEU 96 + QD2 LEU 96 OK 100 100 - 100 - 3.2=100 HB3 GLU 102 - QD2 LEU 96 OK 25 81 - 31 - 3102/2.1=5, 3086/2.1=4...(13) HG2 GLN 68 - QD2 LEU 96 OK 21 92 - 22 - 3102/2.1=5, 3086/2.1=4...(7) HG2 GLU 91 - QD2 LEU 96 OK 13 65 - 21 - ~9911=6, 9914/2.1=3...(5) HB3 GLN 127 - QD2 LEU 96 lone 2 57 - 3 - Peak 3095 from cnoeabs.peaks (1.40, 0.75, 26.15 ppm; 3.31 A): 1 out of 4 assignments used, quality = 1.00: * HG LEU 96 + QD2 LEU 96 OK 100 100 - 100 - 2.1=100 HG3 LYS 31 - QD2 LEU 96 OK 16 81 - 20 - 3103/2.1=4, 2.9/11694=3...(7) QB ALA 16 - QD2 LEU 96 OK 13 81 - 16 - 3103/2.1=3, 3070/3.2=3...(6) QB ALA 109 - QD2 LEU 96 lone 3 65 - 5 - Peak 3096 from cnoeabs.peaks (0.75, 0.75, 26.15 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 96 + QD2 LEU 96 OK 100 100 - 100 Peak 3097 from cnoeabs.peaks (0.77, 0.75, 26.15 ppm; 2.50 A): 1 out of 3 assignments used, quality = 1.00: * QD1 LEU 96 + QD2 LEU 96 OK 100 100 - 100 - 2.1=100 QD1 ILE 32 - QD2 LEU 96 OK 16 92 - 18 - 3089/2.1=4, 3072/3.2=3...(9) QD1 ILE 37 - QD2 LEU 96 poor 10 81 - 12 - ~10911=3, 3089/2.1=2...(4) Peak 3098 from cnoeabs.peaks (8.50, 0.75, 26.15 ppm; 4.48 A): 1 out of 1 assignment used, quality = 0.92: * H GLU 97 + QD2 LEU 96 OK 92 100 - 92 - 3106/2.1=37, 7341/2.1=28...(13) Peak 3099 from cnoeabs.peaks (8.27, 0.77, 23.84 ppm; 3.86 A): 3 out of 3 assignments used, quality = 0.95: * H LEU 96 + QD1 LEU 96 OK 90 100 - 90 - 4.6=57, 7327/2.1=28...(12) H ASP 131 + QD1 LEU 96 OK 31 96 - 33 - 3091/2.1=8, 3083/2.1=6...(8) H GLU 40 + QD1 LEU 96 OK 23 87 - 27 - 10926/2.1=8, 3091/2.1=5...(7) Peak 3100 from cnoeabs.peaks (4.04, 0.77, 23.84 ppm; 3.15 A): 3 out of 6 assignments used, quality = 0.85: * HA LEU 96 + QD1 LEU 96 OK 80 100 - 80 - 4.0=50, 2.9/7329=14...(13) HA ALA 92 + QD1 LEU 96 OK 18 87 - 21 - 3092/2.1=4, 3084/2.1=3...(9) HA GLU 102 + QD1 LEU 96 OK 10 65 - 16 - 3.0/3102=3, 3092/2.1=2...(8) HD3 PRO 81 - QD1 LEU 96 lone 7 96 - 7 - 3084/2.1=1, 3092/2.1=1...(4) HA GLU 44 - QD1 LEU 96 lone 4 81 - 5 - HA LEU 122 - QD1 LEU 96 lone 4 73 - 5 - 3865/10387=2 Peak 3101 from cnoeabs.peaks (1.38, 0.77, 23.84 ppm; 3.04 A): 1 out of 14 assignments used, quality = 0.93: * HB2 LEU 96 + QD1 LEU 96 OK 93 100 - 93 - 3.2=89, 3.0/3100=15...(5) HG3 LYS 95 - QD1 LEU 96 OK 20 92 - 22 - 4.6/9980=3, 3093/2.1=3...(9) HG2 LYS 95 - QD1 LEU 96 OK 17 81 - 21 - 4.6/9980=3, 7319/4.6=3...(10) HB3 LEU 100 - QD1 LEU 96 OK 16 100 - 16 - 3085/2.1=2, 3093/2.1=2...(6) HB2 LEU 42 - QD1 LEU 96 OK 14 99 - 14 - 3093/2.1=2, 3085/2.1=2...(5) HG2 LYS 36 - QD1 LEU 96 lone 5 100 - 5 - HG3 LYS 26 - QD1 LEU 96 lone 5 100 - 5 - HG2 LYS 24 - QD1 LEU 96 lone 4 100 - 4 - QB ALA 15 - QD1 LEU 96 lone 4 99 - 4 - QB ALA 29 - QD1 LEU 96 lone 3 100 - 2 - QB ALA 110 - QD1 LEU 96 lone 2 99 - 2 - QB ALA 28 - QD1 LEU 96 lone 2 98 - 2 - QB ALA 108 - QD1 LEU 96 lone 2 96 - 2 - QB ALA 109 - QD1 LEU 96 lone 1 73 - 1 - Peak 3102 from cnoeabs.peaks (2.23, 0.77, 23.84 ppm; 3.87 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LEU 96 + QD1 LEU 96 OK 100 100 - 100 - 3.2=100 HB3 GLU 102 - QD1 LEU 96 OK 24 81 - 30 - 3094/2.1=5, 3086/2.1=4...(11) HG2 GLN 68 - QD1 LEU 96 OK 23 92 - 25 - 3094/2.1=4, 9481/10630=4...(8) HG2 GLU 91 - QD1 LEU 96 OK 13 65 - 19 - ~9911=6, 9914/2.1=3...(6) HB3 GLN 127 - QD1 LEU 96 lone 2 57 - 3 - Peak 3103 from cnoeabs.peaks (1.40, 0.77, 23.84 ppm; 3.05 A): 1 out of 4 assignments used, quality = 1.00: * HG LEU 96 + QD1 LEU 96 OK 100 100 - 100 - 2.1=100 HG3 LYS 31 - QD1 LEU 96 OK 13 81 - 16 - 3095/2.1=3, 3070/3.2=2...(6) QB ALA 16 - QD1 LEU 96 OK 10 81 - 12 - 3095/2.1=3, 3070/3.2=2...(5) QB ALA 109 - QD1 LEU 96 lone 3 65 - 4 - Peak 3104 from cnoeabs.peaks (0.75, 0.77, 23.84 ppm; 2.50 A): 1 out of 5 assignments used, quality = 1.00: * QD2 LEU 96 + QD1 LEU 96 OK 100 100 - 100 - 2.1=100 QG1 VAL 93 - QD1 LEU 96 OK 29 100 - 29 - 9973/3.2=6, 3088/2.1=5...(12) HG12 ILE 129 - QD1 LEU 96 OK 17 100 - 17 - 3088/2.1=3, ~10492=2...(9) QD2 LEU 43 - QD1 LEU 96 lone 7 87 - 8 - 11090/11678=3 QD2 LEU 103 - QD1 LEU 96 lone 3 73 - 4 - Peak 3105 from cnoeabs.peaks (0.77, 0.77, 23.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 96 + QD1 LEU 96 OK 100 100 - 100 Peak 3106 from cnoeabs.peaks (8.50, 0.77, 23.84 ppm; 4.45 A): 1 out of 1 assignment used, quality = 0.93: * H GLU 97 + QD1 LEU 96 OK 93 100 - 93 - 3098/2.1=37, 7343=34...(13) Peak 3107 from cnoeabs.peaks (8.50, 3.76, 59.92 ppm; 3.83 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 97 + HA GLU 97 OK 100 100 - 100 - 2.8=100 Peak 3108 from cnoeabs.peaks (3.76, 3.76, 59.92 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 97 + HA GLU 97 OK 100 100 - 100 Peak 3109 from cnoeabs.peaks (2.14, 3.76, 59.92 ppm; 3.75 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLU 97 + HA GLU 97 OK 100 100 - 100 - 3.0=100 HB2 PRO 56 - HA GLU 97 OK 41 99 - 41 - 3128/3.0=8, 3142/3.8=7...(11) Peak 3110 from cnoeabs.peaks (2.21, 3.76, 59.92 ppm; 3.53 A): 1 out of 5 assignments used, quality = 1.00: * HB3 GLU 97 + HA GLU 97 OK 100 100 - 100 - 3.0=100 HB2 GLN 101 - HA GLU 97 OK 22 57 - 38 - 2.9/3112=6, 4.0/7405=5...(17) HB2 GLN 68 - HA GLU 97 OK 17 98 - 17 - 7346/2.8=3, 3121/3.0=2...(8) HB3 GLU 128 - HA GLU 97 OK 14 65 - 21 - 3.0/3112=3, 3143/3.8=3...(9) HB3 GLN 104 - HA GLU 97 OK 11 87 - 13 - 11717/11852=2...(7) Peak 3111 from cnoeabs.peaks (2.27, 3.76, 59.92 ppm; 3.85 A): 1 out of 5 assignments used, quality = 1.00: * HG2 GLU 97 + HA GLU 97 OK 100 100 - 100 - 3.8=100 HB3 PRO 113 - HA GLU 97 OK 36 98 - 37 - ~11512=11, 3122/3.0=9...(6) HB VAL 105 - HA GLU 97 lone 8 87 - 9 - 7347/2.8=2, 3130/3.0=2...(5) HB VAL 132 - HA GLU 97 poor 7 65 - 11 - 4.7/7932=4...(6) HG2 GLN 61 - HA GLU 97 poor 6 57 - 10 - 1.8/3112=2, 3122/3.0=1...(5) Peak 3112 from cnoeabs.peaks (2.42, 3.76, 59.92 ppm; 3.94 A): 1 out of 5 assignments used, quality = 1.00: * HG3 GLU 97 + HA GLU 97 OK 100 100 - 100 - 3.8=100 HG2 GLN 101 - HA GLU 97 OK 45 98 - 46 - 7361/3.6=8, 3131/3.0=7...(12) HG3 GLU 128 - HA GLU 97 OK 26 100 - 26 - 3123/3.0=5, 3131/3.0=5...(8) HG3 GLN 61 - HA GLU 97 poor 9 81 - 11 - 3123/3.0=2, 3131/3.0=2...(6) HB3 PRO 58 - HA GLU 97 lone 2 65 - 3 - Peak 3113 from cnoeabs.peaks (7.74, 3.76, 59.92 ppm; 4.98 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 98 + HA GLU 97 OK 100 100 - 100 - 3.6=100 Peak 3114 from cnoeabs.peaks (8.49, 3.76, 59.92 ppm; 3.74 A): 2 out of 2 assignments used, quality = 0.82: * H LEU 100 + HA GLU 97 OK 80 100 - 80 - 7369/3.6=21, 7389=17...(16) H SER 9 + HA GLU 97 OK 11 100 - 11 - 7369/3.6=3, 3265/10001=2...(4) Peak 3115 from cnoeabs.peaks (1.82, 3.76, 59.92 ppm; 4.08 A): 3 out of 9 assignments used, quality = 0.82: * HB2 LEU 100 + HA GLU 97 OK 73 100 - 73 - 3.2/10001=28...(11) HB VAL 93 + HA GLU 97 OK 19 87 - 22 - ~9995=10, ~7333=7, ~7342=6 HB ILE 32 + HA GLU 97 OK 14 96 - 15 - ~11367=4, ~7343=3...(6) HB3 LYS 26 - HA GLU 97 lone 5 98 - 5 - 3267/10001=1, 7397/3114=1 HB3 LEU 123 - HA GLU 97 lone 5 77 - 6 - 3238/10001=1, 3232/3114=1 HB2 LYS 36 - HA GLU 97 lone 4 92 - 5 - 3267/10001=1 HB3 LYS 24 - HA GLU 97 lone 2 73 - 3 - HB3 ARG 135 - HA GLU 97 lone 2 96 - 2 - HB3 ARG 23 - HA GLU 97 lone 2 100 - 2 - Peak 3116 from cnoeabs.peaks (1.38, 3.76, 59.92 ppm; 4.33 A): 2 out of 14 assignments used, quality = 0.96: * HB3 LEU 100 + HA GLU 97 OK 79 100 - 79 - 3.2/10001=32...(12) HB2 LEU 96 + HA GLU 97 OK 79 100 - 79 - ~7340=18, ~3106=15...(14) HB2 LEU 42 - HA GLU 97 OK 30 100 - 30 - ~9106=13, ~9994=7...(5) HG3 LYS 95 - HA GLU 97 OK 16 87 - 19 - ~9997=5, 7339/2.8=5...(5) HG2 LYS 95 - HA GLU 97 OK 13 73 - 18 - ~9997=5, 7339/2.8=4...(5) QB ALA 29 - HA GLU 97 lone 10 100 - 10 - ~7334=2, ~3117=2, ~3125=2 QB ALA 28 - HA GLU 97 lone 9 96 - 10 - ~3117=2, ~3125=2, ~7334=2 HG2 LYS 36 - HA GLU 97 lone 8 100 - 8 - 3268/10001=1, 3.0/3115=1 HG3 LYS 26 - HA GLU 97 lone 8 99 - 8 - 3.0/3115=1, 3268/10001=1 HG2 LYS 24 - HA GLU 97 lone 6 100 - 6 - QB ALA 110 - HA GLU 97 lone 3 98 - 3 - QB ALA 108 - HA GLU 97 lone 3 92 - 3 - QB ALA 15 - HA GLU 97 lone 3 98 - 3 - QB ALA 109 - HA GLU 97 lone 1 65 - 2 - Peak 3117 from cnoeabs.peaks (4.23, 2.14, 28.66 ppm; 4.34 A): 4 out of 7 assignments used, quality = 0.91: * HA SER 94 + HB2 GLU 97 OK 84 100 - 84 - 2936=44, 2937/1.8=35...(7) HA ALA 34 + HB2 GLU 97 OK 19 73 - 26 - ~11362=11, 3125/1.8=6...(6) HA ALA 29 + HB2 GLU 97 OK 18 96 - 19 - 3125/1.8=5, 11359/2.9=4...(6) HA ALA 28 + HB2 GLU 97 OK 17 92 - 19 - 3125/1.8=5, 11359/2.9=4...(6) HA GLU 30 - HB2 GLU 97 lone 5 81 - 6 - 3125/1.8=1, 11359/2.9=1...(4) HA SER 124 - HB2 GLU 97 lone 4 73 - 5 - 3125/1.8=1, 11358/2.9=1 HB3 SER 38 - HB2 GLU 97 lone 2 57 - 4 - Peak 3118 from cnoeabs.peaks (8.50, 2.14, 28.66 ppm; 3.87 A): 1 out of 1 assignment used, quality = 0.99: * H GLU 97 + HB2 GLU 97 OK 99 100 - 99 - 4.0=94, 7346/1.8=29...(11) Peak 3119 from cnoeabs.peaks (3.76, 2.14, 28.66 ppm; 3.95 A): 2 out of 3 assignments used, quality = 1.00: * HA GLU 97 + HB2 GLU 97 OK 100 100 - 100 - 3.0=100 HA VAL 133 + HB2 GLU 97 OK 71 92 - 77 - 3.2/10002=25, ~10003=16...(16) HB2 SER 99 - HB2 GLU 97 OK 32 98 - 33 - 3127/1.8=7, 7344/4.0=6...(8) Peak 3120 from cnoeabs.peaks (2.14, 2.14, 28.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 97 + HB2 GLU 97 OK 100 100 - 100 Peak 3121 from cnoeabs.peaks (2.21, 2.14, 28.66 ppm; 2.84 A): 1 out of 5 assignments used, quality = 1.00: * HB3 GLU 97 + HB2 GLU 97 OK 100 100 - 100 - 1.8=100 HB2 GLN 101 - HB2 GLU 97 OK 15 57 - 27 - 2.9/3123=4, 3143/2.9=3...(15) HB3 GLU 128 - HB2 GLU 97 OK 12 65 - 19 - 3.0/3123=3, 3143/2.9=3...(7) HB2 GLN 68 - HB2 GLU 97 OK 10 98 - 10 - 3110/3.0=2, 3136/2.9=2...(5) HB3 GLN 104 - HB2 GLU 97 lone 6 87 - 7 - 3110/3.0=1, 3136/2.9=1 Peak 3122 from cnoeabs.peaks (2.27, 2.14, 28.66 ppm; 3.20 A): 1 out of 5 assignments used, quality = 1.00: * HG2 GLU 97 + HB2 GLU 97 OK 100 100 - 100 - 2.9=100 HB3 PRO 113 - HB2 GLU 97 OK 39 98 - 40 - 3.0/11512=12, 3130/1.8=9...(12) HB VAL 105 - HB2 GLU 97 lone 6 87 - 7 - 3130/1.8=2, 7347/4.0=1 HG2 GLN 61 - HB2 GLU 97 lone 5 57 - 9 - 1.8/3123=2, 3130/1.8=1, ~3131=1 HB VAL 132 - HB2 GLU 97 lone 5 65 - 8 - 11662/10002=2, 3130/1.8=1 Peak 3123 from cnoeabs.peaks (2.42, 2.14, 28.66 ppm; 3.42 A): 1 out of 5 assignments used, quality = 1.00: * HG3 GLU 97 + HB2 GLU 97 OK 100 100 - 100 - 2.9=100 HG2 GLN 101 - HB2 GLU 97 OK 38 98 - 39 - 3131/1.8=8, 3112/3.0=5...(15) HG3 GLU 128 - HB2 GLU 97 OK 28 100 - 28 - 3131/1.8=5, 3138/2.9=4...(13) HG3 GLN 61 - HB2 GLU 97 poor 9 81 - 11 - 3131/1.8=2, 1.8/3122=1...(4) HB3 PRO 58 - HB2 GLU 97 lone 3 65 - 4 - Peak 3124 from cnoeabs.peaks (7.74, 2.14, 28.66 ppm; 4.36 A): 1 out of 1 assignment used, quality = 0.97: * H LEU 98 + HB2 GLU 97 OK 97 100 - 97 - 4.7=83, 3132/1.8=38...(10) Peak 3125 from cnoeabs.peaks (4.23, 2.21, 28.66 ppm; 3.85 A): 4 out of 7 assignments used, quality = 0.87: * HA SER 94 + HB3 GLU 97 OK 78 100 - 78 - 2937=39, 2936/1.8=30...(8) HA ALA 34 + HB3 GLU 97 OK 17 73 - 24 - 2.1/11362=12...(6) HA ALA 28 + HB3 GLU 97 OK 14 92 - 15 - 3117/1.8=4, 11359/2.9=4...(6) HA ALA 29 + HB3 GLU 97 OK 14 96 - 14 - 3117/1.8=4, 11359/2.9=3...(5) HA GLU 30 - HB3 GLU 97 lone 4 81 - 5 - 11359/2.9=1, 3117/1.8=1 HA SER 124 - HB3 GLU 97 lone 4 73 - 5 - HB3 SER 38 - HB3 GLU 97 lone 2 57 - 3 - Peak 3126 from cnoeabs.peaks (8.50, 2.21, 28.66 ppm; 4.06 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 97 + HB3 GLU 97 OK 100 100 - 100 - 4.0=100 Peak 3127 from cnoeabs.peaks (3.76, 2.21, 28.66 ppm; 3.97 A): 2 out of 3 assignments used, quality = 1.00: * HA GLU 97 + HB3 GLU 97 OK 100 100 - 100 - 3.0=100 HA VAL 133 + HB3 GLU 97 OK 71 92 - 78 - 3.2/10003=26, ~10002=16...(15) HB2 SER 99 - HB3 GLU 97 OK 37 98 - 38 - 4.5/10027=9, 7344/4.0=6...(8) Peak 3128 from cnoeabs.peaks (2.14, 2.21, 28.66 ppm; 2.77 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLU 97 + HB3 GLU 97 OK 100 100 - 100 - 1.8=100 HB2 PRO 56 - HB3 GLU 97 OK 27 99 - 27 - 3142/2.9=5, 3135/2.9=5...(11) Peak 3129 from cnoeabs.peaks (2.21, 2.21, 28.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 97 + HB3 GLU 97 OK 100 100 - 100 Peak 3130 from cnoeabs.peaks (2.27, 2.21, 28.66 ppm; 3.07 A): 1 out of 5 assignments used, quality = 1.00: * HG2 GLU 97 + HB3 GLU 97 OK 100 100 - 100 - 2.9=100 HB3 PRO 113 - HB3 GLU 97 OK 36 98 - 37 - ~11512=10, 3122/1.8=8...(12) HB VAL 105 - HB3 GLU 97 lone 6 87 - 7 - 3122/1.8=1, 7347/4.0=1 HG2 GLN 61 - HB3 GLU 97 lone 5 57 - 8 - 1.8/3131=2, 3122/1.8=1 HB VAL 132 - HB3 GLU 97 lone 4 65 - 7 - 11662/10003=2, 3122/1.8=1 Peak 3131 from cnoeabs.peaks (2.42, 2.21, 28.66 ppm; 3.12 A): 1 out of 5 assignments used, quality = 1.00: * HG3 GLU 97 + HB3 GLU 97 OK 100 100 - 100 - 2.9=100 HG2 GLN 101 - HB3 GLU 97 OK 34 98 - 34 - 3123/1.8=6, 3112/3.0=4...(13) HG3 GLU 128 - HB3 GLU 97 OK 23 100 - 23 - 3123/1.8=5, 3138/2.9=3...(10) HG3 GLN 61 - HB3 GLU 97 lone 7 81 - 9 - 3123/1.8=2, 1.8/3130=1 HB3 PRO 58 - HB3 GLU 97 lone 2 65 - 3 - Peak 3132 from cnoeabs.peaks (7.74, 2.21, 28.66 ppm; 4.45 A): 1 out of 1 assignment used, quality = 0.98: * H LEU 98 + HB3 GLU 97 OK 98 100 - 98 - 4.7=88, 3124/1.8=40...(9) Peak 3133 from cnoeabs.peaks (8.50, 2.27, 35.12 ppm; 4.04 A): 1 out of 1 assignment used, quality = 0.95: * H GLU 97 + HG2 GLU 97 OK 95 100 - 95 - 4.6=68, 3140/1.8=39...(10) Peak 3134 from cnoeabs.peaks (3.76, 2.27, 35.12 ppm; 3.78 A): 2 out of 3 assignments used, quality = 1.00: * HA GLU 97 + HG2 GLU 97 OK 100 100 - 100 - 3.8=99, 3.0/3136=28...(13) HA VAL 133 + HG2 GLU 97 OK 62 92 - 68 - 3.2/10004=27, ~10005=17...(10) HB2 SER 99 - HG2 GLU 97 OK 19 98 - 19 - 3127/2.9=5, 7344/4.6=5...(5) Peak 3135 from cnoeabs.peaks (2.14, 2.27, 35.12 ppm; 3.27 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLU 97 + HG2 GLU 97 OK 100 100 - 100 - 2.9=100 HB2 PRO 56 - HG2 GLU 97 OK 32 99 - 32 - 3142/1.8=9, 3128/2.9=6...(11) Peak 3136 from cnoeabs.peaks (2.21, 2.27, 35.12 ppm; 2.50 A): 2 out of 5 assignments used, quality = 0.79: * HB3 GLU 97 + HG2 GLU 97 OK 77 100 - 77 - 2.9=62, 3143/1.8=16...(8) HB2 GLN 101 + HG2 GLU 97 OK 10 57 - 18 - 3143/1.8=3, ~3300=3...(7) HB3 GLU 128 - HG2 GLU 97 poor 9 65 - 14 - 3143/1.8=3, ~4093=2...(5) HB2 GLN 68 - HG2 GLU 97 lone 7 98 - 7 - 3143/1.8=2, 3121/2.9=1 HB3 GLN 104 - HG2 GLU 97 lone 5 87 - 5 - 3143/1.8=1 Peak 3137 from cnoeabs.peaks (2.27, 2.27, 35.12 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 97 + HG2 GLU 97 OK 100 100 - 100 Peak 3138 from cnoeabs.peaks (2.42, 2.27, 35.12 ppm; 2.68 A): 1 out of 5 assignments used, quality = 1.00: * HG3 GLU 97 + HG2 GLU 97 OK 100 100 - 100 - 1.8=100 HG2 GLN 101 - HG2 GLU 97 OK 22 98 - 22 - 3131/2.9=4, 3123/2.9=3...(10) HG3 GLU 128 - HG2 GLU 97 OK 16 100 - 16 - 3123/2.9=3, 3131/2.9=2...(8) HG3 GLN 61 - HG2 GLU 97 lone 5 81 - 6 - HB3 PRO 58 - HG2 GLU 97 lone 2 65 - 2 - Peak 3139 from cnoeabs.peaks (7.74, 2.27, 35.12 ppm; 4.85 A): 1 out of 1 assignment used, quality = 0.93: * H LEU 98 + HG2 GLU 97 OK 93 100 - 93 - 3124/2.9=38, 3132/2.9=37...(10) Peak 3140 from cnoeabs.peaks (8.50, 2.42, 35.12 ppm; 3.93 A): 1 out of 1 assignment used, quality = 0.92: * H GLU 97 + HG3 GLU 97 OK 92 100 - 92 - 4.6=62, 3133/1.8=36...(13) Peak 3141 from cnoeabs.peaks (3.76, 2.42, 35.12 ppm; 3.83 A): 2 out of 3 assignments used, quality = 1.00: * HA GLU 97 + HG3 GLU 97 OK 100 100 - 100 - 3.8=100 HA VAL 133 + HG3 GLU 97 OK 64 92 - 70 - 3.2/10005=30, ~10004=16...(11) HB2 SER 99 - HG3 GLU 97 OK 21 98 - 21 - 3127/2.9=5, 7344/4.6=5...(6) Peak 3142 from cnoeabs.peaks (2.14, 2.42, 35.12 ppm; 3.43 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLU 97 + HG3 GLU 97 OK 100 100 - 100 - 2.9=100 HB2 PRO 56 - HG3 GLU 97 OK 36 99 - 36 - 3135/1.8=9, 3128/2.9=7...(11) Peak 3143 from cnoeabs.peaks (2.21, 2.42, 35.12 ppm; 2.89 A): 1 out of 5 assignments used, quality = 0.98: * HB3 GLU 97 + HG3 GLU 97 OK 98 100 - 98 - 2.9=96, 3136/1.8=28...(8) HB2 GLN 101 - HG3 GLU 97 OK 20 57 - 36 - 1.8/3300=6, 2.9/3318=4...(16) HB3 GLU 128 - HG3 GLU 97 OK 17 65 - 26 - 1.8/4093=6, 3136/1.8=3...(9) HB2 GLN 68 - HG3 GLU 97 lone 9 98 - 9 - 3136/1.8=2, 3121/2.9=2...(4) HB3 GLN 104 - HG3 GLU 97 lone 6 87 - 7 - 3136/1.8=2, 3121/2.9=1 Peak 3144 from cnoeabs.peaks (2.27, 2.42, 35.12 ppm; 2.54 A): 1 out of 5 assignments used, quality = 1.00: * HG2 GLU 97 + HG3 GLU 97 OK 100 100 - 100 - 1.8=100 HB3 PRO 113 - HG3 GLU 97 OK 24 98 - 25 - 3122/2.9=4, 3130/2.9=4...(11) HB VAL 105 - HG3 GLU 97 lone 4 87 - 4 - HG2 GLN 61 - HG3 GLU 97 lone 4 57 - 6 - HB VAL 132 - HG3 GLU 97 lone 3 65 - 4 - 11662/10005=1 Peak 3145 from cnoeabs.peaks (2.42, 2.42, 35.12 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 97 + HG3 GLU 97 OK 100 100 - 100 Peak 3146 from cnoeabs.peaks (7.74, 2.42, 35.12 ppm; 5.31 A): 1 out of 1 assignment used, quality = 0.93: * H LEU 98 + HG3 GLU 97 OK 93 100 - 93 - 3139/1.8=45, 3124/2.9=42...(11) Peak 3147 from cnoeabs.peaks (7.74, 4.11, 57.89 ppm; 3.86 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 98 + HA LEU 98 OK 100 100 - 100 - 2.9=100 Peak 3148 from cnoeabs.peaks (4.11, 4.11, 57.89 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 98 + HA LEU 98 OK 100 100 - 100 Peak 3149 from cnoeabs.peaks (1.65, 4.11, 57.89 ppm; 3.48 A): 1 out of 17 assignments used, quality = 1.00: * HB2 LEU 98 + HA LEU 98 OK 100 100 - 100 - 3.0=100 HB2 LEU 123 - HA LEU 98 OK 38 99 - 38 - 3.2/3153=6, 3170/3.0=5...(17) HD2 LYS 95 - HA LEU 98 OK 18 99 - 19 - 7363/2.9=4, 3170/3.0=3...(9) HD3 LYS 95 - HA LEU 98 OK 13 81 - 16 - 7363/2.9=3, ~7363=2...(9) HG LEU 62 - HA LEU 98 lone 8 96 - 8 - 7377/3.6=1 HD3 LYS 19 - HA LEU 98 lone 6 98 - 6 - HD2 LYS 19 - HA LEU 98 lone 6 98 - 6 - HD3 LYS 26 - HA LEU 98 lone 4 87 - 5 - HG LEU 43 - HA LEU 98 lone 4 65 - 6 - 4.6/3154=2 HD3 LYS 31 - HA LEU 98 lone 3 73 - 5 - HD2 LYS 26 - HA LEU 98 lone 3 73 - 4 - HD2 LYS 31 - HA LEU 98 lone 3 65 - 4 - QB ALA 88 - HA LEU 98 lone 2 65 - 4 - HD3 LYS 24 - HA LEU 98 lone 2 73 - 3 - HD2 LYS 86 - HA LEU 98 lone 2 81 - 3 - HD3 LYS 86 - HA LEU 98 lone 2 81 - 3 - HD2 LYS 24 - HA LEU 98 lone 2 65 - 3 - Peak 3150 from cnoeabs.peaks (1.78, 4.11, 57.89 ppm; 3.23 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LEU 98 + HA LEU 98 OK 100 100 - 100 - 3.0=100 HB2 LEU 48 + HA LEU 98 OK 61 96 - 64 - 1496=9, 3162/3.0=8...(26) HG LEU 100 - HA LEU 98 OK 18 73 - 24 - 7378/3.6=4, 5.1/7391=3...(12) HB3 LEU 103 - HA LEU 98 OK 15 73 - 20 - 3.9/7465=3, 3162/3.0=2...(10) HB3 LEU 122 - HA LEU 98 lone 4 65 - 6 - 7378/3.6=1 Peak 3151 from cnoeabs.peaks (1.71, 4.11, 57.89 ppm; 3.38 A): 2 out of 6 assignments used, quality = 0.99: * HG LEU 98 + HA LEU 98 OK 97 100 - 97 - 3.7=75, 2.1/3153=30...(19) HG LEU 48 + HA LEU 98 OK 59 96 - 61 - 3.0/3150=9, 2.1/1529=8...(18) HB2 LEU 70 - HA LEU 98 OK 35 99 - 35 - 3163/3.0=5, 3.2/3152=5...(13) HB3 LEU 70 - HA LEU 98 OK 31 92 - 34 - 3.2/3152=5, 3163/3.0=4...(13) HG2 ARG 135 - HA LEU 98 lone 9 100 - 9 - 3172/3.0=2, 3163/3.0=1...(4) HD3 LYS 39 - HA LEU 98 lone 3 96 - 3 - Peak 3152 from cnoeabs.peaks (0.86, 4.11, 57.89 ppm; 2.94 A): 4 out of 5 assignments used, quality = 0.92: * QD1 LEU 98 + HA LEU 98 OK 86 100 - 86 - 4.0=41, 3184/2.9=17...(21) QD2 LEU 70 + HA LEU 98 OK 25 87 - 29 - 7366/2.9=4, 3173/3.0=4...(9) QG2 ILE 32 + HA LEU 98 OK 17 73 - 24 - 904=4, 2.1/896=4...(10) QG2 VAL 57 + HA LEU 98 OK 13 100 - 13 - 9316/3.0=4, 3173/3.0=2...(7) QD2 LEU 69 - HA LEU 98 lone 8 81 - 10 - 3173/3.0=2, 3164/3.0=2...(7) Peak 3153 from cnoeabs.peaks (0.88, 4.11, 57.89 ppm; 2.75 A): 2 out of 3 assignments used, quality = 0.85: * QD2 LEU 98 + HA LEU 98 OK 81 100 - 81 - 4.0=33, 3192/2.9=13...(25) QD2 LEU 123 + HA LEU 98 OK 20 73 - 27 - 3165/3.0=4, 3174/3.0=4...(12) QD2 LEU 69 - HA LEU 98 poor 10 81 - 12 - 3174/3.0=2, 3165/3.0=2...(6) Peak 3154 from cnoeabs.peaks (8.29, 4.11, 57.89 ppm; 3.65 A): 1 out of 5 assignments used, quality = 1.00: * H SER 99 + HA LEU 98 OK 100 100 - 100 - 3.6=100 H LEU 43 - HA LEU 98 OK 20 96 - 20 - 3175/3.0=4, 7368/2.9=4...(7) H VAL 126 - HA LEU 98 OK 19 100 - 19 - 3175/3.0=4, 3166/3.0=4...(6) H LEU 69 - HA LEU 98 OK 18 81 - 22 - 3191/4.0=4, 3175/3.0=4...(7) H ALA 110 - HA LEU 98 lone 3 65 - 4 - Peak 3155 from cnoeabs.peaks (7.68, 4.11, 57.89 ppm; 4.23 A): 1 out of 2 assignments used, quality = 0.90: * H GLN 101 + HA LEU 98 OK 90 100 - 90 - 4.0/3157=27, 4.0/3156=21...(21) H CYS 45 - HA LEU 98 poor 8 65 - 13 - 7386/3.6=3, ~1437=2...(4) Peak 3156 from cnoeabs.peaks (2.21, 4.11, 57.89 ppm; 3.25 A): 2 out of 3 assignments used, quality = 0.77: * HB2 GLN 101 + HA LEU 98 OK 69 100 - 69 - 1.8/3157=26, 3285=15...(17) HB3 GLU 97 + HA LEU 98 OK 25 57 - 44 - ~3124=11, ~7358=10...(9) HB2 GLN 82 - HA LEU 98 poor 10 96 - 10 - 3298/3157=3...(4) Peak 3157 from cnoeabs.peaks (2.30, 4.11, 57.89 ppm; 3.89 A): 1 out of 1 assignment used, quality = 0.80: * HB3 GLN 101 + HA LEU 98 OK 80 100 - 80 - 1.8/3156=30, 4.0/3155=19...(17) Peak 3158 from cnoeabs.peaks (4.02, 1.65, 41.76 ppm; 3.97 A): 4 out of 8 assignments used, quality = 0.89: * HA LYS 95 + HB2 LEU 98 OK 74 100 - 74 - 2963/1.8=25, 2961/3.9=22...(12) HA LEU 103 + HB2 LEU 98 OK 32 98 - 33 - 3167/1.8=9, 11373/3.1=4...(11) HA ARG 135 + HB2 LEU 98 OK 28 99 - 28 - 3167/1.8=7, 4308/3.0=5...(10) HA ILE 37 + HB2 LEU 98 OK 13 100 - 13 - 3167/1.8=3, 7371/4.6=2...(6) HB2 SER 38 - HB2 LEU 98 poor 10 92 - 11 - 7371/4.6=3, 3167/1.8=2...(5) HA LEU 119 - HB2 LEU 98 lone 5 87 - 6 - 3167/1.8=1, 7371/4.6=1 HB3 SER 124 - HB2 LEU 98 lone 4 57 - 7 - 4.0/7763=3 HA SER 60 - HB2 LEU 98 lone 2 57 - 3 - Peak 3159 from cnoeabs.peaks (7.74, 1.65, 41.76 ppm; 3.94 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 98 + HB2 LEU 98 OK 100 100 - 100 - 3.9=100 Peak 3160 from cnoeabs.peaks (4.11, 1.65, 41.76 ppm; 3.81 A): 3 out of 6 assignments used, quality = 1.00: * HA LEU 98 + HB2 LEU 98 OK 100 100 - 100 - 3.0=100 HA GLN 101 + HB2 LEU 98 OK 71 98 - 73 - ~3157=12, ~3155=11...(23) HA LEU 48 + HB2 LEU 98 OK 69 98 - 70 - 1485/1.8=15, 3.0/3162=11...(23) HA LEU 49 - HB2 LEU 98 OK 31 100 - 31 - ~6598=5, 3169/1.8=4...(13) HA ILE 32 - HB2 LEU 98 OK 24 98 - 24 - 890/3.1=3, 3169/1.8=3...(11) HA CYS 79 - HB2 LEU 98 lone 7 100 - 7 - 3169/1.8=1 Peak 3161 from cnoeabs.peaks (1.65, 1.65, 41.76 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 98 + HB2 LEU 98 OK 100 100 - 100 Peak 3162 from cnoeabs.peaks (1.78, 1.65, 41.76 ppm; 3.11 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LEU 98 + HB2 LEU 98 OK 100 100 - 100 - 1.8=100 HB2 LEU 48 + HB2 LEU 98 OK 63 96 - 67 - 3187/3.1=8, 3195/3.1=7...(35) HG LEU 100 - HB2 LEU 98 OK 18 73 - 24 - 5.1/10020=5, 2.1/11389=3...(11) HB3 LEU 103 - HB2 LEU 98 OK 15 73 - 20 - 3.0/3158=3, ~3167=2...(11) HB3 LEU 122 - HB2 LEU 98 lone 4 65 - 6 - 4.3/7749=1 Peak 3163 from cnoeabs.peaks (1.71, 1.65, 41.76 ppm; 3.13 A): 2 out of 6 assignments used, quality = 1.00: * HG LEU 98 + HB2 LEU 98 OK 100 100 - 100 - 3.0=100 HG LEU 48 + HB2 LEU 98 OK 61 96 - 64 - 3172/1.8=9, 3.0/3162=8...(28) HB2 LEU 70 - HB2 LEU 98 OK 44 99 - 45 - 3172/1.8=6, 3188/3.1=4...(19) HB3 LEU 70 - HB2 LEU 98 OK 40 92 - 44 - 3172/1.8=5, 3.2/3164=4...(19) HG2 ARG 135 - HB2 LEU 98 OK 14 100 - 14 - 4.2/3158=2, 3172/1.8=2...(4) HD3 LYS 39 - HB2 LEU 98 lone 4 96 - 4 - Peak 3164 from cnoeabs.peaks (0.86, 1.65, 41.76 ppm; 3.15 A): 1 out of 5 assignments used, quality = 1.00: * QD1 LEU 98 + HB2 LEU 98 OK 100 100 - 100 - 3.1=100 QD2 LEU 70 - HB2 LEU 98 OK 35 87 - 41 - 3173/1.8=7, 3152/3.0=4...(17) QG2 VAL 57 - HB2 LEU 98 OK 24 100 - 24 - 9316=7, 3173/1.8=4...(10) QG2 ILE 32 - HB2 LEU 98 OK 15 73 - 20 - 3152/3.0=3, 3173/1.8=3...(8) QD2 LEU 69 - HB2 LEU 98 OK 14 81 - 17 - 3173/1.8=3, 3197/3.1=2...(10) Peak 3165 from cnoeabs.peaks (0.88, 1.65, 41.76 ppm; 3.21 A): 1 out of 3 assignments used, quality = 1.00: * QD2 LEU 98 + HB2 LEU 98 OK 100 100 - 100 - 3.1=100 QD2 LEU 123 - HB2 LEU 98 OK 35 73 - 48 - 3174/1.8=7, 2.1/3938=6...(20) QD2 LEU 69 - HB2 LEU 98 OK 18 81 - 22 - 3174/1.8=4, 3190/3.1=3...(11) Peak 3166 from cnoeabs.peaks (8.29, 1.65, 41.76 ppm; 4.24 A): 1 out of 5 assignments used, quality = 0.95: * H SER 99 + HB2 LEU 98 OK 95 100 - 95 - 4.6=77, 7375/3.9=29...(11) H VAL 126 - HB2 LEU 98 OK 29 100 - 29 - 3175/1.8=6, 3191/3.1=4...(8) H LEU 43 - HB2 LEU 98 OK 27 96 - 29 - 3175/1.8=6, 3154/3.0=4...(7) H LEU 69 - HB2 LEU 98 OK 26 81 - 33 - 3191/3.1=7, 3175/1.8=6...(8) H ALA 110 - HB2 LEU 98 lone 3 65 - 5 - Peak 3167 from cnoeabs.peaks (4.02, 1.78, 41.76 ppm; 3.49 A): 3 out of 8 assignments used, quality = 0.81: * HA LYS 95 + HB3 LEU 98 OK 66 100 - 67 - 2963=22, 2961/3.9=16...(14) HA LEU 103 + HB3 LEU 98 OK 27 98 - 28 - 3158/1.8=6, 11373/3.1=3...(11) HA ARG 135 + HB3 LEU 98 OK 22 99 - 22 - 3158/1.8=5, 4308/3.0=4...(8) HA ILE 37 - HB3 LEU 98 lone 10 100 - 10 - 3158/1.8=2, 7371/4.6=2...(5) HB2 SER 38 - HB3 LEU 98 lone 8 92 - 8 - 7371/4.6=2, 3158/1.8=2 HA LEU 119 - HB3 LEU 98 lone 3 87 - 4 - HB3 SER 124 - HB3 LEU 98 lone 2 57 - 4 - HA SER 60 - HB3 LEU 98 lone 1 57 - 1 - Peak 3168 from cnoeabs.peaks (7.74, 1.78, 41.76 ppm; 3.84 A): 1 out of 1 assignment used, quality = 0.99: * H LEU 98 + HB3 LEU 98 OK 99 100 - 99 - 3.9=95, 3184/3.1=28...(16) Peak 3169 from cnoeabs.peaks (4.11, 1.78, 41.76 ppm; 3.41 A): 3 out of 6 assignments used, quality = 1.00: * HA LEU 98 + HB3 LEU 98 OK 100 100 - 100 - 3.0=100 HA LEU 48 + HB3 LEU 98 OK 70 98 - 71 - 1485=15, 3.0/1506=9...(26) HA GLN 101 + HB3 LEU 98 OK 62 98 - 63 - ~3157=9, ~3155=8...(21) HA LEU 49 - HB3 LEU 98 OK 31 100 - 31 - 2.9/6598=6, 4.9/1485=5...(15) HA ILE 32 - HB3 LEU 98 OK 19 98 - 20 - 890/3.1=2, 3160/1.8=2...(9) HA CYS 79 - HB3 LEU 98 lone 7 100 - 7 - Peak 3170 from cnoeabs.peaks (1.65, 1.78, 41.76 ppm; 2.98 A): 1 out of 17 assignments used, quality = 1.00: * HB2 LEU 98 + HB3 LEU 98 OK 100 100 - 100 - 1.8=100 HB2 LEU 123 - HB3 LEU 98 OK 37 99 - 37 - 3924/3.1=4, 3.2/3174=4...(15) HD2 LYS 95 - HB3 LEU 98 OK 18 99 - 19 - 5.0/2963=6, 7363/3.9=2...(7) HD3 LYS 95 - HB3 LEU 98 OK 13 81 - 17 - 5.0/2963=6, 7363/3.9=1...(6) HG LEU 62 - HB3 LEU 98 lone 6 96 - 7 - HD3 LYS 19 - HB3 LEU 98 lone 5 98 - 5 - HD2 LYS 19 - HB3 LEU 98 lone 5 98 - 5 - HD3 LYS 26 - HB3 LEU 98 lone 4 87 - 5 - HD2 LYS 26 - HB3 LEU 98 lone 3 73 - 4 - HD3 LYS 31 - HB3 LEU 98 lone 3 73 - 4 - HG LEU 43 - HB3 LEU 98 lone 3 65 - 5 - 4.6/3175=1 HD2 LYS 31 - HB3 LEU 98 lone 3 65 - 4 - HD3 LYS 24 - HB3 LEU 98 lone 2 73 - 3 - HD2 LYS 24 - HB3 LEU 98 lone 2 65 - 3 - QB ALA 88 - HB3 LEU 98 lone 2 65 - 3 - HD3 LYS 86 - HB3 LEU 98 lone 2 81 - 2 - HD2 LYS 86 - HB3 LEU 98 lone 2 81 - 2 - Peak 3171 from cnoeabs.peaks (1.78, 1.78, 41.76 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 98 + HB3 LEU 98 OK 100 100 - 100 Peak 3172 from cnoeabs.peaks (1.71, 1.78, 41.76 ppm; 2.97 A): 2 out of 6 assignments used, quality = 1.00: * HG LEU 98 + HB3 LEU 98 OK 100 100 - 100 - 3.0=100 HG LEU 48 + HB3 LEU 98 OK 61 96 - 64 - 2.1/1530=10, 1514=9...(27) HB2 LEU 70 - HB3 LEU 98 OK 41 99 - 41 - 3163/1.8=5, 3188/3.1=4...(18) HB3 LEU 70 - HB3 LEU 98 OK 37 92 - 40 - 3163/1.8=5, 3.2/3173=4...(18) HG2 ARG 135 - HB3 LEU 98 OK 14 100 - 13 - 4.2/3167=2, 3163/1.8=2...(4) HD3 LYS 39 - HB3 LEU 98 lone 4 96 - 4 - Peak 3173 from cnoeabs.peaks (0.86, 1.78, 41.76 ppm; 3.14 A): 1 out of 5 assignments used, quality = 1.00: * QD1 LEU 98 + HB3 LEU 98 OK 100 100 - 100 - 3.1=100 QD2 LEU 70 - HB3 LEU 98 OK 35 87 - 41 - 3164/1.8=6, 3152/3.0=4...(17) QG2 VAL 57 - HB3 LEU 98 OK 19 100 - 19 - 9316/1.8=6, 3152/3.0=2...(9) QG2 ILE 32 - HB3 LEU 98 OK 15 73 - 20 - 3152/3.0=3, 3164/1.8=3...(8) QD2 LEU 69 - HB3 LEU 98 OK 14 81 - 17 - 3164/1.8=3, 3197/3.1=2...(9) Peak 3174 from cnoeabs.peaks (0.88, 1.78, 41.76 ppm; 3.05 A): 1 out of 3 assignments used, quality = 0.99: * QD2 LEU 98 + HB3 LEU 98 OK 99 100 - 99 - 3.1=94, 3153/3.0=19...(21) QD2 LEU 123 - HB3 LEU 98 OK 28 73 - 38 - 3165/1.8=7, 3153/3.0=5...(15) QD2 LEU 69 - HB3 LEU 98 OK 16 81 - 20 - 3165/1.8=4, 3190/3.1=3...(11) Peak 3175 from cnoeabs.peaks (8.29, 1.78, 41.76 ppm; 3.79 A): 4 out of 5 assignments used, quality = 0.94: * H SER 99 + HB3 LEU 98 OK 88 100 - 88 - 4.6=55, 7375/3.9=23...(14) H LEU 69 + HB3 LEU 98 OK 22 81 - 27 - 3191/3.1=5, 3199/3.1=5...(8) H VAL 126 + HB3 LEU 98 OK 21 100 - 21 - 3166/1.8=5, 3154/3.0=4...(6) H LEU 43 + HB3 LEU 98 OK 21 96 - 22 - 3166/1.8=5, 3154/3.0=4...(6) H ALA 110 - HB3 LEU 98 lone 3 65 - 5 - Peak 3176 from cnoeabs.peaks (7.74, 1.71, 26.74 ppm; 3.74 A): 2 out of 2 assignments used, quality = 0.95: * H LEU 98 + HG LEU 98 OK 93 100 - 93 - 5.1=39, 3184/2.1=33...(13) H LEU 98 + HG LEU 48 OK 36 64 - 56 - 7365=12, 2.9/3151=8...(15) Peak 3177 from cnoeabs.peaks (4.11, 1.71, 26.74 ppm; 3.33 A): 3 out of 12 assignments used, quality = 0.99: * HA LEU 98 + HG LEU 98 OK 96 100 - 96 - 3.7=73, 3153/2.1=29...(18) HA LEU 48 + HG LEU 98 OK 61 98 - 62 - 1487=12, 1485/3.0=9...(17) HA LEU 48 + HG LEU 48 OK 56 60 - 94 - 3.7=73, 1489/2.1=26...(16) HA LEU 49 - HG LEU 48 OK 43 64 - 68 - 1542/2.1=14, 1529/2.1=10...(20) HA LEU 98 - HG LEU 48 OK 40 64 - 62 - 3151=12, 3150/3.0=8...(18) HA GLN 101 - HG LEU 98 OK 38 98 - 39 - 11400/2.1=8, 3185/2.1=6...(9) HA LEU 49 - HG LEU 98 OK 24 100 - 25 - 2.9/6600=4, 4.9/1487=3...(10) HA ILE 32 - HG LEU 98 OK 16 98 - 16 - 890/2.1=3, 3193/2.1=2...(5) HA CYS 79 - HG LEU 48 OK 13 64 - 20 - 1529/2.1=3, 1521/2.1=3...(10) HA GLN 101 - HG LEU 48 poor 6 60 - 10 - ~7413=2, 1496/3.0=1, 1529/2.1=1 HA CYS 79 - HG LEU 98 lone 5 100 - 5 - HA ILE 32 - HG LEU 48 lone 3 60 - 4 - Peak 3178 from cnoeabs.peaks (1.65, 1.71, 26.74 ppm; 2.52 A): 5 out of 34 assignments used, quality = 0.93: * HB2 LEU 98 + HG LEU 98 OK 84 100 - 84 - 3.0=61, 3186/2.1=12...(17) HB2 LEU 98 + HG LEU 48 OK 29 64 - 45 - 3163=6, 1.8/3172=6...(22) HB2 LEU 123 + HG LEU 98 OK 24 99 - 24 - 3924/2.1=4, 3186/2.1=4...(7) HB2 LEU 123 + HG LEU 48 OK 14 62 - 22 - 3925/2.1=3, ~1531=2...(11) HD2 LYS 95 + HG LEU 98 OK 11 99 - 11 - 3186/2.1=2, 5.0/11371=2...(4) HD3 LYS 95 - HG LEU 98 lone 8 81 - 10 - 5.0/11371=2, 3186/2.1=1...(4) HG LEU 62 - HG LEU 98 lone 4 96 - 4 - HD2 LYS 19 - HG LEU 98 lone 3 98 - 3 - HD3 LYS 19 - HG LEU 98 lone 3 98 - 3 - HD3 LYS 26 - HG LEU 98 lone 3 87 - 3 - HD2 LYS 26 - HG LEU 98 lone 2 73 - 3 - HG LEU 62 - HG LEU 48 lone 2 57 - 4 - HD3 LYS 31 - HG LEU 98 lone 2 73 - 3 - HD2 LYS 31 - HG LEU 98 lone 2 65 - 3 - HD3 LYS 24 - HG LEU 98 lone 2 73 - 2 - HG LEU 43 - HG LEU 98 lone 2 65 - 2 - HD2 LYS 24 - HG LEU 98 lone 1 65 - 2 - HD3 LYS 86 - HG LEU 98 lone 1 81 - 1 - HD2 LYS 86 - HG LEU 98 lone 1 81 - 1 - QB ALA 88 - HG LEU 98 lone 1 65 - 1 - HD2 LYS 95 - HG LEU 48 lone 1 62 - 1 - HD3 LYS 95 - HG LEU 48 lone 0 45 - 1 - HD2 LYS 19 - HG LEU 48 lone 0 60 - 0 - HD3 LYS 19 - HG LEU 48 lone 0 60 - 0 - HD3 LYS 26 - HG LEU 48 lone 0 49 - 0 - HG LEU 43 - HG LEU 48 lone 0 35 - 0 - HD3 LYS 31 - HG LEU 48 lone 0 40 - 0 - HD2 LYS 26 - HG LEU 48 lone 0 40 - 0 - HD3 LYS 24 - HG LEU 48 lone 0 40 - 0 - HD2 LYS 86 - HG LEU 48 lone 0 45 - 0 - HD3 LYS 86 - HG LEU 48 lone 0 45 - 0 - HD2 LYS 31 - HG LEU 48 lone 0 35 - 0 - QB ALA 88 - HG LEU 48 lone 0 35 - 0 - HD2 LYS 24 - HG LEU 48 lone 0 35 - 0 - Peak 3179 from cnoeabs.peaks (1.78, 1.71, 26.74 ppm; 2.84 A): 3 out of 10 assignments used, quality = 0.99: * HB3 LEU 98 + HG LEU 98 OK 96 100 - 96 - 3.0=87, 3174/2.1=19...(18) HB2 LEU 48 + HG LEU 98 OK 58 96 - 61 - 1499=10, 3187/2.1=9...(26) HB2 LEU 48 + HG LEU 48 OK 54 57 - 95 - 3.0=88, 1530/2.1=15...(13) HB3 LEU 98 - HG LEU 48 OK 39 64 - 61 - 3172=10, 1530/2.1=9...(27) HB3 LEU 103 - HG LEU 98 OK 11 73 - 15 - 3187/2.1=2, 3195/2.1=2...(9) HG LEU 100 - HG LEU 98 OK 10 73 - 14 - 3162/3.0=2, 3187/2.1=2...(6) HG LEU 100 - HG LEU 48 poor 5 40 - 13 - 1530/2.1=2, 1522/2.1=2...(6) HB3 LEU 122 - HG LEU 98 lone 2 65 - 3 - HB3 LEU 103 - HG LEU 48 lone 1 40 - 2 - HB3 LEU 122 - HG LEU 48 lone 0 35 - 1 - Peak 3180 from cnoeabs.peaks (1.71, 1.71, 26.74 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG LEU 98 + HG LEU 98 OK 100 100 - 100 HG LEU 48 + HG LEU 48 OK 57 57 - 100 Peak 3181 from cnoeabs.peaks (0.86, 1.71, 26.74 ppm; 2.78 A): 1 out of 10 assignments used, quality = 1.00: * QD1 LEU 98 + HG LEU 98 OK 100 100 - 100 - 2.1=100 QD1 LEU 98 - HG LEU 48 OK 33 64 - 52 - 3188=10, 3187/3.0=6...(22) QD2 LEU 70 - HG LEU 98 OK 30 87 - 34 - 3197/2.1=5, 2270=4...(15) QG2 VAL 57 - HG LEU 98 OK 14 100 - 14 - 9316/3.0=3, 3197/2.1=2...(6) QD2 LEU 69 - HG LEU 98 OK 11 81 - 14 - 3197/2.1=3, ~2205=2...(8) QG2 ILE 32 - HG LEU 98 poor 10 73 - 13 - 3152/3.7=2, 3173/3.0=2...(4) QD2 LEU 70 - HG LEU 48 lone 3 49 - 7 - QG2 ILE 32 - HG LEU 48 lone 1 40 - 3 - QG2 VAL 57 - HG LEU 48 lone 1 64 - 2 - QD2 LEU 69 - HG LEU 48 lone 1 45 - 2 - Peak 3182 from cnoeabs.peaks (0.88, 1.71, 26.74 ppm; 2.64 A): 1 out of 6 assignments used, quality = 1.00: * QD2 LEU 98 + HG LEU 98 OK 100 100 - 100 - 2.1=100 QD2 LEU 98 - HG LEU 48 OK 30 64 - 47 - 3196=8, 2.1/3188=6...(22) QD2 LEU 123 - HG LEU 98 OK 19 73 - 27 - 3165/3.0=4, 3190/2.1=4...(13) QD2 LEU 69 - HG LEU 98 OK 12 81 - 15 - 3190/2.1=3, 3174/3.0=2...(8) QD2 LEU 123 - HG LEU 48 poor 9 40 - 23 - ~9205=3, ~1526=2...(11) QD2 LEU 69 - HG LEU 48 lone 1 45 - 2 - Peak 3183 from cnoeabs.peaks (8.29, 1.71, 26.74 ppm; 3.89 A): 5 out of 10 assignments used, quality = 0.93: * H SER 99 + HG LEU 98 OK 78 100 - 78 - 7381/2.1=21, 3.8/3176=18...(11) H SER 99 + HG LEU 48 OK 27 64 - 42 - 7379=9, 3.6/3151=7...(11) H LEU 69 + HG LEU 98 OK 26 81 - 32 - 3191/2.1=7, 3199/2.1=6...(9) H VAL 126 + HG LEU 98 OK 22 100 - 22 - 3191/2.1=5, 3166/3.0=4...(6) H LEU 43 + HG LEU 98 OK 21 96 - 22 - 3191/2.1=4, 3175/3.0=4...(7) H LEU 69 - HG LEU 48 poor 5 45 - 12 - 11068/11370=3...(3) H ALA 110 - HG LEU 48 poor 3 35 - 10 - ~10663=3, 11478/2.1=3 H VAL 126 - HG LEU 48 lone 3 64 - 5 - 3.6/1512=1 H ALA 110 - HG LEU 98 lone 3 65 - 5 - H LEU 43 - HG LEU 48 lone 2 57 - 4 - Peak 3184 from cnoeabs.peaks (7.74, 0.86, 23.66 ppm; 3.85 A): 1 out of 1 assignment used, quality = 0.94: * H LEU 98 + QD1 LEU 98 OK 94 100 - 94 - 4.8=52, 3192/2.1=33...(16) Peak 3185 from cnoeabs.peaks (4.11, 0.86, 23.66 ppm; 2.89 A): 3 out of 6 assignments used, quality = 0.95: * HA LEU 98 + QD1 LEU 98 OK 87 100 - 87 - 4.0=39, 3153/2.1=24...(21) HA LEU 48 + QD1 LEU 98 OK 43 98 - 45 - 3.0/3187=7, 1485/3.1=7...(18) HA GLN 101 + QD1 LEU 98 OK 32 98 - 32 - 3193/2.1=6, 5.1/10059=5...(10) HA ILE 32 - QD1 LEU 98 OK 14 98 - 14 - 890=2, 3193/2.1=2...(4) HA LEU 49 - QD1 LEU 98 OK 14 100 - 14 - 3193/2.1=2, 3169/3.1=2...(7) HA CYS 79 - QD1 LEU 98 lone 3 100 - 3 - Peak 3186 from cnoeabs.peaks (1.65, 0.86, 23.66 ppm; 2.77 A): 2 out of 17 assignments used, quality = 0.94: * HB2 LEU 98 + QD1 LEU 98 OK 92 100 - 92 - 3.1=71, 1.8/3187=15...(20) HB2 LEU 123 + QD1 LEU 98 OK 29 99 - 29 - 3924/2.1=5, 3178/2.1=4...(10) HD2 LYS 95 - QD1 LEU 98 OK 15 99 - 16 - 5.0/11343=4, 3194/2.1=2...(7) HD3 LYS 95 - QD1 LEU 98 OK 11 81 - 14 - 5.0/11343=4, 3194/2.1=1...(6) HG LEU 62 - QD1 LEU 98 lone 4 96 - 4 - HD2 LYS 19 - QD1 LEU 98 lone 4 98 - 4 - HD3 LYS 19 - QD1 LEU 98 lone 4 98 - 4 - HD3 LYS 26 - QD1 LEU 98 lone 4 87 - 5 - HD3 LYS 31 - QD1 LEU 98 lone 3 73 - 4 - HD2 LYS 26 - QD1 LEU 98 lone 3 73 - 4 - HD2 LYS 31 - QD1 LEU 98 lone 3 65 - 4 - HD3 LYS 24 - QD1 LEU 98 lone 2 73 - 3 - HG LEU 43 - QD1 LEU 98 lone 2 65 - 3 - 4.6/3191=1 HD2 LYS 24 - QD1 LEU 98 lone 2 65 - 3 - HD2 LYS 86 - QD1 LEU 98 lone 1 81 - 1 - HD3 LYS 86 - QD1 LEU 98 lone 1 81 - 1 - QB ALA 88 - QD1 LEU 98 lone 1 65 - 2 - Peak 3187 from cnoeabs.peaks (1.78, 0.86, 23.66 ppm; 3.04 A): 2 out of 5 assignments used, quality = 0.99: * HB3 LEU 98 + QD1 LEU 98 OK 99 100 - 99 - 3.1=93, 3174/2.1=22...(20) HB2 LEU 48 + QD1 LEU 98 OK 58 96 - 61 - 3195/2.1=9, 1499/2.1=8...(27) HB3 LEU 103 - QD1 LEU 98 OK 13 73 - 17 - 3.0/11372=3, 3195/2.1=2...(9) HG LEU 100 - QD1 LEU 98 OK 11 73 - 15 - 3162/3.1=2, 3195/2.1=2...(8) HB3 LEU 122 - QD1 LEU 98 lone 2 65 - 3 - Peak 3188 from cnoeabs.peaks (1.71, 0.86, 23.66 ppm; 2.66 A): 1 out of 6 assignments used, quality = 1.00: * HG LEU 98 + QD1 LEU 98 OK 100 100 - 100 - 2.1=100 HG LEU 48 - QD1 LEU 98 OK 45 96 - 47 - 3181=7, 3.0/3187=6...(22) HB2 LEU 70 - QD1 LEU 98 OK 37 99 - 37 - 3196/2.1=4, 2241=3...(16) HB3 LEU 70 - QD1 LEU 98 OK 33 92 - 36 - 3196/2.1=4, 3172/3.1=3...(15) HG2 ARG 135 - QD1 LEU 98 lone 10 100 - 10 - 4.2/11372=2, 3196/2.1=1 HD3 LYS 39 - QD1 LEU 98 lone 3 96 - 3 - Peak 3189 from cnoeabs.peaks (0.86, 0.86, 23.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 98 + QD1 LEU 98 OK 100 100 - 100 Peak 3190 from cnoeabs.peaks (0.88, 0.86, 23.66 ppm; 2.50 A): 1 out of 3 assignments used, quality = 1.00: * QD2 LEU 98 + QD1 LEU 98 OK 100 100 - 100 - 2.1=100 QD2 LEU 123 - QD1 LEU 98 OK 17 73 - 23 - 3165/3.1=3, 3174/3.1=3...(9) QD2 LEU 69 - QD1 LEU 98 OK 14 81 - 18 - 2.1/2213=2, 3182/2.1=2...(9) Peak 3191 from cnoeabs.peaks (8.29, 0.86, 23.66 ppm; 4.00 A): 4 out of 5 assignments used, quality = 0.94: * H SER 99 + QD1 LEU 98 OK 86 100 - 86 - 3.8/3184=26, 7380=25...(12) H LEU 69 + QD1 LEU 98 OK 35 81 - 43 - 3199/2.1=6, 3183/2.1=5...(15) H VAL 126 + QD1 LEU 98 OK 23 100 - 23 - 3199/2.1=4, 3166/3.1=4...(6) H LEU 43 + QD1 LEU 98 OK 21 96 - 22 - 3175/3.1=4, 3166/3.1=4...(6) H ALA 110 - QD1 LEU 98 lone 3 65 - 5 - Peak 3192 from cnoeabs.peaks (7.74, 0.88, 24.02 ppm; 4.00 A): 1 out of 1 assignment used, quality = 0.96: * H LEU 98 + QD2 LEU 98 OK 96 100 - 96 - 4.8=59, 3184/2.1=37...(15) Peak 3193 from cnoeabs.peaks (4.11, 0.88, 24.02 ppm; 3.12 A): 3 out of 6 assignments used, quality = 0.98: * HA LEU 98 + QD2 LEU 98 OK 92 100 - 92 - 4.0=49, 3152/2.1=19...(26) HA GLN 101 + QD2 LEU 98 OK 50 98 - 51 - 3.8/10055=11...(13) HA LEU 48 + QD2 LEU 98 OK 50 98 - 51 - 3185/2.1=8, 3.0/3195=8...(18) HA LEU 49 - QD2 LEU 98 OK 17 100 - 17 - 3185/2.1=2, 3169/3.1=2...(8) HA ILE 32 - QD2 LEU 98 OK 14 98 - 14 - 890/2.1=3, 3160/3.1=1...(5) HA CYS 79 - QD2 LEU 98 lone 4 100 - 4 - Peak 3194 from cnoeabs.peaks (1.65, 0.88, 24.02 ppm; 2.98 A): 1 out of 17 assignments used, quality = 0.98: * HB2 LEU 98 + QD2 LEU 98 OK 98 100 - 98 - 3.1=88, 1.8/3174=23...(20) HB2 LEU 123 - QD2 LEU 98 OK 37 99 - 38 - 3186/2.1=5, 3924=5...(14) HD2 LYS 95 - QD2 LEU 98 OK 16 99 - 17 - 5.0/11373=3, 3186/2.1=3...(8) HD3 LYS 95 - QD2 LEU 98 OK 12 81 - 15 - 5.0/11373=3, 3186/2.1=2...(7) HD3 LYS 26 - QD2 LEU 98 lone 6 87 - 7 - HD2 LYS 19 - QD2 LEU 98 lone 6 98 - 6 - 3.9/10701=1 HD3 LYS 19 - QD2 LEU 98 lone 6 98 - 6 - 3.9/10701=1 HG LEU 62 - QD2 LEU 98 lone 6 96 - 6 - HD2 LYS 26 - QD2 LEU 98 lone 5 73 - 6 - HD3 LYS 31 - QD2 LEU 98 lone 4 73 - 5 - HD2 LYS 31 - QD2 LEU 98 lone 3 65 - 5 - HD3 LYS 24 - QD2 LEU 98 lone 3 73 - 4 - HD2 LYS 24 - QD2 LEU 98 lone 3 65 - 4 - HG LEU 43 - QD2 LEU 98 lone 3 65 - 4 - 4.6/3199=1 HD2 LYS 86 - QD2 LEU 98 lone 2 81 - 2 - HD3 LYS 86 - QD2 LEU 98 lone 2 81 - 2 - QB ALA 88 - QD2 LEU 98 lone 2 65 - 3 - Peak 3195 from cnoeabs.peaks (1.78, 0.88, 24.02 ppm; 3.19 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LEU 98 + QD2 LEU 98 OK 100 100 - 100 - 3.1=100 HB2 LEU 48 + QD2 LEU 98 OK 62 96 - 65 - 3187/2.1=11, 1499/2.1=9...(30) HB3 LEU 103 - QD2 LEU 98 OK 14 73 - 19 - 3.0/11373=4, 3187/2.1=2...(10) HG LEU 100 - QD2 LEU 98 OK 12 73 - 17 - 3162/3.1=2, 3187/2.1=2...(10) HB3 LEU 122 - QD2 LEU 98 lone 3 65 - 5 - Peak 3196 from cnoeabs.peaks (1.71, 0.88, 24.02 ppm; 2.86 A): 2 out of 6 assignments used, quality = 1.00: * HG LEU 98 + QD2 LEU 98 OK 100 100 - 100 - 2.1=100 HG LEU 48 + QD2 LEU 98 OK 51 96 - 53 - 3182=9, 3.0/3195=6...(22) HB2 LEU 70 - QD2 LEU 98 OK 41 99 - 41 - 3188/2.1=5, 3.2/3197=3...(22) HB3 LEU 70 - QD2 LEU 98 OK 37 92 - 40 - 3188/2.1=5, 3.2/3197=3...(22) HG2 ARG 135 - QD2 LEU 98 OK 11 100 - 11 - 4.2/11373=2, 3188/2.1=1...(4) HD3 LYS 39 - QD2 LEU 98 lone 3 96 - 3 - Peak 3197 from cnoeabs.peaks (0.86, 0.88, 24.02 ppm; 2.50 A): 1 out of 5 assignments used, quality = 1.00: * QD1 LEU 98 + QD2 LEU 98 OK 100 100 - 100 - 2.1=100 QD2 LEU 70 - QD2 LEU 98 OK 23 87 - 26 - 3181/2.1=3, 3173/3.1=3...(13) QD2 LEU 69 - QD2 LEU 98 OK 13 81 - 16 - 2.1/2213=2, 2.1/2205=2...(8) QG2 VAL 57 - QD2 LEU 98 OK 11 100 - 11 - 9316/3.1=2, 3181/2.1=2...(5) QG2 ILE 32 - QD2 LEU 98 lone 7 73 - 10 - 3152/4.0=1, 3173/3.1=1...(4) Peak 3198 from cnoeabs.peaks (0.88, 0.88, 24.02 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 98 + QD2 LEU 98 OK 100 100 - 100 Peak 3199 from cnoeabs.peaks (8.29, 0.88, 24.02 ppm; 4.54 A): 2 out of 5 assignments used, quality = 0.95: * H SER 99 + QD2 LEU 98 OK 91 100 - 91 - 7381=32, 3.8/3192=31...(13) H LEU 69 + QD2 LEU 98 OK 42 81 - 53 - 3191/2.1=9, 3183/2.1=6...(16) H VAL 126 - QD2 LEU 98 OK 29 100 - 29 - 3191/2.1=6, 3166/3.1=5...(7) H LEU 43 - QD2 LEU 98 OK 26 96 - 28 - 3191/2.1=5, 3166/3.1=5...(7) H ALA 110 - QD2 LEU 98 lone 4 65 - 6 - Peak 3200 from cnoeabs.peaks (8.29, 4.22, 62.42 ppm; 4.03 A): 1 out of 5 assignments used, quality = 1.00: * H SER 99 + HA SER 99 OK 100 100 - 100 - 2.9=100 H LEU 69 - HA SER 99 OK 20 81 - 25 - 6916=7, 3.6/6936=5...(7) H VAL 126 - HA SER 99 OK 14 100 - 14 - 3215/3.0=5, 3209/3.0=4...(4) H LEU 43 - HA SER 99 OK 10 96 - 11 - 7392/3.6=3, 3215/3.0=2...(4) H ALA 110 - HA SER 99 lone 2 65 - 3 - Peak 3201 from cnoeabs.peaks (4.22, 4.22, 62.42 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 99 + HA SER 99 OK 100 100 - 100 Peak 3202 from cnoeabs.peaks (3.76, 4.22, 62.42 ppm; 4.28 A): 2 out of 3 assignments used, quality = 1.00: * HB2 SER 99 + HA SER 99 OK 100 100 - 100 - 3.0=100 HA GLU 97 + HA SER 99 OK 64 98 - 65 - 3114/3.6=27, ~7373=18...(10) HA VAL 133 - HA SER 99 lone 7 73 - 9 - 7389/3.6=3, 7374/2.9=2 Peak 3203 from cnoeabs.peaks (4.00, 4.22, 62.42 ppm; 3.87 A): 1 out of 5 assignments used, quality = 1.00: * HB3 SER 99 + HA SER 99 OK 100 100 - 100 - 3.0=100 HB2 SER 38 - HA SER 99 OK 14 65 - 22 - 7384/2.9=4, ~7382=3...(10) HA SER 50 - HA SER 99 lone 6 65 - 9 - 7395/3.6=3, 7384/2.9=2...(4) HA SER 60 - HA SER 99 lone 3 96 - 3 - HB2 SER 124 - HA SER 99 lone 3 57 - 5 - 7384/2.9=2 Peak 3204 from cnoeabs.peaks (8.49, 4.22, 62.42 ppm; 5.24 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 100 + HA SER 99 OK 100 100 - 100 - 3.6=100 H SER 9 - HA SER 99 OK 32 100 - 32 - 3220/4.9=9, 3213/3.0=7...(6) Peak 3205 from cnoeabs.peaks (7.85, 4.22, 62.42 ppm; 4.50 A): 1 out of 2 assignments used, quality = 0.84: * H GLU 102 + HA SER 99 OK 84 100 - 85 - 7443=32, 7444/3.6=20...(13) H ALA 88 - HA SER 99 poor 10 81 - 12 - 7403/3.6=5, 3333/3332=2...(4) Peak 3206 from cnoeabs.peaks (2.08, 4.22, 62.42 ppm; 4.97 A): 4 out of 7 assignments used, quality = 0.85: * HB2 GLU 102 + HA SER 99 OK 74 100 - 75 - 3332=31, 1.8/3340=30...(7) HB3 LYS 39 + HA SER 99 OK 26 98 - 27 - 1.8/10023=21, 3.9/6435=3 HB2 GLU 128 + HA SER 99 OK 12 100 - 12 - 3343/3340=3, 7455/3205=3...(4) HB3 GLU 44 + HA SER 99 OK 11 96 - 12 - 7455/3205=3, ~7372=2...(4) HG3 GLN 134 - HA SER 99 lone 4 100 - 4 - 1152/10023=1 HB VAL 57 - HA SER 99 lone 4 73 - 6 - ~7380=3, ~11380=1 HG3 PRO 58 - HA SER 99 lone 1 57 - 2 - Peak 3207 from cnoeabs.peaks (2.23, 4.22, 62.42 ppm; 3.95 A): 4 out of 7 assignments used, quality = 0.82: * HB3 GLU 102 + HA SER 99 OK 64 100 - 64 - 3340=31, 1.8/3332=25...(7) HB3 LEU 96 + HA SER 99 OK 35 81 - 44 - ~3064=13, ~3062=9...(8) HG2 GLN 68 + HA SER 99 OK 12 99 - 13 - 2158/2.9=3, 5.1/6881=2...(6) HB3 GLN 127 + HA SER 99 OK 10 98 - 10 - 3.0/11605=5, 3336/3332=1 HB3 GLU 128 - HA SER 99 lone 8 96 - 9 - 1.8/3206=2, 3336/3332=2 HG2 GLU 91 - HA SER 99 lone 4 99 - 4 - HB3 GLN 104 - HA SER 99 lone 4 81 - 4 - 7456/3205=2, 10027/3.6=1 Peak 3208 from cnoeabs.peaks (4.04, 3.76, 63.21 ppm; 3.56 A): 3 out of 6 assignments used, quality = 0.78: * HA LEU 96 + HB2 SER 99 OK 61 100 - 61 - 3064/1.8=44, 3062/3.7=14...(7) HA GLU 102 + HB2 SER 99 OK 28 65 - 43 - ~3205=8, 3214/1.8=8...(9) HA LEU 122 + HB2 SER 99 OK 20 73 - 28 - 3.9/11379=10, 3214/1.8=7...(6) HA GLU 44 - HB2 SER 99 lone 6 81 - 7 - 7388/4.5=2, 7372/3.7=2 HA ALA 92 - HB2 SER 99 lone 3 87 - 4 - HD3 PRO 81 - HB2 SER 99 lone 2 96 - 2 - Peak 3209 from cnoeabs.peaks (8.29, 3.76, 63.21 ppm; 4.14 A): 1 out of 5 assignments used, quality = 1.00: * H SER 99 + HB2 SER 99 OK 100 100 - 100 - 3.7=100 H VAL 126 - HB2 SER 99 OK 18 100 - 18 - 3215/1.8=6, 3200/3.0=3...(4) H LEU 43 - HB2 SER 99 OK 11 96 - 12 - 3215/1.8=3, 7392/4.5=3...(4) H LEU 69 - HB2 SER 99 OK 11 81 - 14 - 3200/3.0=4, 3215/1.8=3...(4) H ALA 110 - HB2 SER 99 lone 2 65 - 3 - Peak 3210 from cnoeabs.peaks (4.22, 3.76, 63.21 ppm; 4.13 A): 1 out of 6 assignments used, quality = 1.00: * HA SER 99 + HB2 SER 99 OK 100 100 - 100 - 3.0=100 HB3 SER 38 - HB2 SER 99 OK 19 92 - 20 - 3216/1.8=5, 7382/3.7=4...(7) HA HIS 67 - HB2 SER 99 OK 17 100 - 17 - 3216/1.8=4, 7382/3.7=3...(6) HA SER 51 - HB2 SER 99 OK 11 100 - 11 - 3216/1.8=3, 7382/3.7=2 HA ALA 34 - HB2 SER 99 lone 2 81 - 3 - HA GLU 30 - HB2 SER 99 lone 2 73 - 2 - Peak 3211 from cnoeabs.peaks (3.76, 3.76, 63.21 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 99 + HB2 SER 99 OK 100 100 - 100 Peak 3212 from cnoeabs.peaks (4.00, 3.76, 63.21 ppm; 3.40 A): 1 out of 5 assignments used, quality = 1.00: * HB3 SER 99 + HB2 SER 99 OK 100 100 - 100 - 1.8=100 HB2 SER 38 - HB2 SER 99 poor 9 65 - 14 - 1.8/3210=3, 3203/3.0=2...(6) HA SER 50 - HB2 SER 99 lone 4 65 - 6 - 7395/4.5=2, 3203/3.0=1 HA SER 60 - HB2 SER 99 lone 3 96 - 3 - HB2 SER 124 - HB2 SER 99 lone 2 57 - 3 - Peak 3213 from cnoeabs.peaks (8.49, 3.76, 63.21 ppm; 4.89 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 100 + HB2 SER 99 OK 100 100 - 100 - 4.5=100 H SER 9 - HB2 SER 99 OK 24 100 - 24 - 3204/3.0=7, 3219/1.8=7...(4) Peak 3214 from cnoeabs.peaks (4.04, 4.00, 63.21 ppm; 3.09 A): 3 out of 6 assignments used, quality = 0.75: * HA LEU 96 + HB3 SER 99 OK 62 100 - 62 - 3064=45, 3208/1.8=14...(6) HA GLU 102 + HB3 SER 99 OK 21 65 - 32 - 3208/1.8=6, ~3205=6...(9) HA LEU 122 + HB3 SER 99 OK 17 73 - 24 - 3.9/11378=8, 3.8/11702=7...(6) HA GLU 44 - HB3 SER 99 lone 4 81 - 5 - 3208/1.8=1, 7372/3.7=1 HD3 PRO 81 - HB3 SER 99 lone 2 96 - 2 - HA ALA 92 - HB3 SER 99 lone 2 87 - 2 - Peak 3215 from cnoeabs.peaks (8.29, 4.00, 63.21 ppm; 4.02 A): 1 out of 5 assignments used, quality = 1.00: * H SER 99 + HB3 SER 99 OK 100 100 - 100 - 3.7=100 H VAL 126 - HB3 SER 99 OK 23 100 - 23 - 3.6/11589=7, 3209/1.8=5...(7) H LEU 43 - HB3 SER 99 OK 12 96 - 12 - 3209/1.8=3, 7392/4.5=3...(4) H LEU 69 - HB3 SER 99 poor 10 81 - 12 - 3200/3.0=4, 3209/1.8=3...(4) H ALA 110 - HB3 SER 99 lone 2 65 - 3 - Peak 3216 from cnoeabs.peaks (4.22, 4.00, 63.21 ppm; 4.08 A): 1 out of 6 assignments used, quality = 1.00: * HA SER 99 + HB3 SER 99 OK 100 100 - 100 - 3.0=100 HB3 SER 38 - HB3 SER 99 OK 18 92 - 20 - 3210/1.8=5, 7382/3.7=4...(7) HA HIS 67 - HB3 SER 99 OK 15 100 - 16 - 3210/1.8=4, 7382/3.7=3...(6) HA SER 51 - HB3 SER 99 lone 10 100 - 10 - 3210/1.8=3, 7382/3.7=2 HA ALA 34 - HB3 SER 99 lone 2 81 - 3 - HA GLU 30 - HB3 SER 99 lone 1 73 - 2 - Peak 3217 from cnoeabs.peaks (3.76, 4.00, 63.21 ppm; 3.55 A): 1 out of 3 assignments used, quality = 1.00: * HB2 SER 99 + HB3 SER 99 OK 100 100 - 100 - 1.8=100 HA GLU 97 - HB3 SER 99 OK 44 98 - 45 - 5.0/3064=16, 3114/4.5=14...(7) HA VAL 133 - HB3 SER 99 lone 4 73 - 6 - 7389/4.5=2, 7374/3.7=1 Peak 3218 from cnoeabs.peaks (4.00, 4.00, 63.21 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 99 + HB3 SER 99 OK 100 100 - 100 Peak 3219 from cnoeabs.peaks (8.49, 4.00, 63.21 ppm; 4.66 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 100 + HB3 SER 99 OK 100 100 - 100 - 4.5=100 H SER 9 - HB3 SER 99 OK 20 100 - 20 - 3213/1.8=7, 3204/3.0=7...(4) Peak 3220 from cnoeabs.peaks (8.49, 3.96, 57.71 ppm; 4.56 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 100 + HA LEU 100 OK 100 100 - 100 - 2.9=100 H SER 9 + HA LEU 100 OK 49 100 - 49 - 3241/3.0=11, 3232/3.0=9...(10) Peak 3221 from cnoeabs.peaks (3.96, 3.96, 57.71 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 100 + HA LEU 100 OK 100 100 - 100 Peak 3222 from cnoeabs.peaks (1.82, 3.96, 57.71 ppm; 3.87 A): 1 out of 9 assignments used, quality = 1.00: * HB2 LEU 100 + HA LEU 100 OK 100 100 - 100 - 3.0=100 HB2 LYS 36 - HA LEU 100 OK 23 92 - 26 - 3243/3.0=4, 3.0/3223=3...(12) HB3 LYS 26 - HA LEU 100 OK 23 98 - 24 - 3243/3.0=3, 7397/2.9=3...(8) HB ILE 32 - HA LEU 100 OK 20 96 - 21 - 7411/3.6=3, 7397/2.9=3...(7) HB3 LEU 123 - HA LEU 100 OK 16 77 - 20 - 3239/3.6=3, 3238/4.0=3...(8) HB3 ARG 23 - HA LEU 100 OK 14 100 - 13 - 3.0/3229=3, 3243/3.0=2...(5) HB VAL 93 - HA LEU 100 OK 11 87 - 13 - ~2926=2, 7397/2.9=2...(8) HB3 LYS 24 - HA LEU 100 OK 10 73 - 14 - 3243/3.0=2, 7397/2.9=2...(5) HB3 ARG 135 - HA LEU 100 lone 7 96 - 8 - 3243/3.0=1 Peak 3223 from cnoeabs.peaks (1.38, 3.96, 57.71 ppm; 4.35 A): 1 out of 14 assignments used, quality = 1.00: * HB3 LEU 100 + HA LEU 100 OK 100 100 - 100 - 3.0=100 HB2 LEU 96 - HA LEU 100 OK 34 100 - 35 - ~7388=8, 7398/2.9=6...(12) HG2 LYS 36 - HA LEU 100 OK 31 100 - 31 - 3.0/3222=4, 3235/3.0=4...(14) HG3 LYS 26 - HA LEU 100 OK 26 99 - 26 - 3.0/3222=4, 3268/4.0=3...(11) HG2 LYS 24 - HA LEU 100 OK 17 100 - 17 - 3268/4.0=2, 3235/3.0=2...(7) HB2 LEU 42 - HA LEU 100 OK 15 100 - 15 - 7398/2.9=3, ~1309=2...(8) QB ALA 108 - HA LEU 100 OK 14 92 - 16 - 2.9/7557=5, 3.7/3228=2...(5) HG3 LYS 95 - HA LEU 100 lone 8 87 - 9 - 7398/2.9=1, 3268/4.0=1 QB ALA 110 - HA LEU 100 lone 7 98 - 7 - 11488/11384=2 QB ALA 29 - HA LEU 100 lone 6 100 - 6 - HG2 LYS 95 - HA LEU 100 lone 6 73 - 8 - QB ALA 28 - HA LEU 100 lone 5 96 - 5 - 11488/11384=1 QB ALA 109 - HA LEU 100 lone 5 65 - 7 - 2.9/3228=2 QB ALA 15 - HA LEU 100 lone 3 98 - 3 - Peak 3224 from cnoeabs.peaks (1.78, 3.96, 57.71 ppm; 3.86 A): 1 out of 3 assignments used, quality = 1.00: * HG LEU 100 + HA LEU 100 OK 100 100 - 100 - 3.7=100 HB3 LEU 98 - HA LEU 100 OK 29 73 - 39 - 7399/2.9=10, ~10020=9...(9) HB2 LEU 48 - HA LEU 100 OK 27 96 - 28 - 7399/2.9=6, 3245/3.0=6...(7) Peak 3225 from cnoeabs.peaks (0.68, 3.96, 57.71 ppm; 3.62 A): 2 out of 2 assignments used, quality = 0.94: * QD2 LEU 100 + HA LEU 100 OK 90 100 - 90 - 4.1=70, 3257/2.9=19...(10) QD2 LEU 62 + HA LEU 100 OK 34 98 - 34 - 3246/3.0=8, 3254/3.7=7...(6) Peak 3226 from cnoeabs.peaks (0.60, 3.96, 57.71 ppm; 4.56 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 100 + HA LEU 100 OK 100 100 - 100 - 4.0=100 Peak 3227 from cnoeabs.peaks (7.68, 3.96, 57.71 ppm; 5.52 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 101 + HA LEU 100 OK 100 100 - 100 - 3.6=100 H CYS 45 - HA LEU 100 OK 21 65 - 31 - 7402/2.9=6, 3248/3.0=6...(8) Peak 3228 from cnoeabs.peaks (8.08, 3.96, 57.71 ppm; 5.38 A): 4 out of 5 assignments used, quality = 0.93: * H LEU 103 + HA LEU 100 OK 86 100 - 86 - 3.9/3230=22, 7464/3.6=21...(13) H ALA 108 + HA LEU 100 OK 29 100 - 29 - 7424/3.6=6, 7557=6...(12) H ALA 109 + HA LEU 100 OK 16 100 - 16 - 4.6/7557=4, 7424/3.6=4 HD22 ASN 85 + HA LEU 100 OK 14 100 - 14 - ~9799=3, 7424/3.6=3...(4) H ASN 120 - HA LEU 100 lone 9 92 - 10 - 7424/3.6=2, 7667/11384=1 Peak 3229 from cnoeabs.peaks (1.58, 3.96, 57.71 ppm; 4.30 A): 3 out of 3 assignments used, quality = 0.78: * HB2 LEU 103 + HA LEU 100 OK 54 100 - 54 - 1.8/3230=24, 3370=14...(7) HG LEU 49 + HA LEU 100 OK 46 92 - 50 - 2.1/11384=30, ~11700=14...(5) HG2 ARG 23 + HA LEU 100 OK 13 99 - 13 - 1576/11384=2, 3.0/3222=2...(4) Peak 3230 from cnoeabs.peaks (1.79, 3.96, 57.71 ppm; 3.86 A): 3 out of 5 assignments used, quality = 0.61: * HB3 LEU 103 + HA LEU 100 OK 43 100 - 43 - 1.8/3229=15, 3379=11...(6) HB3 LEU 122 + HA LEU 100 OK 23 100 - 23 - 11730/2.9=6, 3379=5...(8) HB3 LEU 98 + HA LEU 100 OK 11 73 - 15 - ~10020=9, ~7391=3, 3169/4.9=2 HB2 LYS 86 - HA LEU 100 lone 2 99 - 2 - HB3 LEU 123 - HA LEU 100 lone 1 31 - 3 - ~11421=2 Peak 3231 from cnoeabs.peaks (3.76, 1.82, 41.28 ppm; 4.84 A): 3 out of 6 assignments used, quality = 0.96: * HA GLU 97 + HB2 LEU 100 OK 87 100 - 87 - 10001/3.2=38...(11) HB2 SER 99 + HB2 LEU 100 OK 49 98 - 50 - 4.5/7397=17, 3240/1.8=11...(6) HA VAL 133 + HB2 LEU 100 OK 46 92 - 50 - 3.2/11385=34, 3240/1.8=9...(8) HB2 SER 99 - HB3 LEU 123 poor 6 57 - 11 - 4.5/3232=3, ~11573=2, ~10349=2 HA GLU 97 - HB3 LEU 123 lone 6 61 - 9 - 10001/3238=2, 3115=2 HA VAL 133 - HB3 LEU 123 lone 2 51 - 4 - 3.2/11385=2 Peak 3232 from cnoeabs.peaks (8.49, 1.82, 41.28 ppm; 3.97 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 100 + HB2 LEU 100 OK 100 100 - 100 - 3.9=100 H SER 9 - HB2 LEU 100 OK 41 100 - 41 - 3241/1.8=11, 3249/3.0=8...(6) H LEU 100 - HB3 LEU 123 OK 18 61 - 30 - ~11397=6, 7397=5...(11) H SER 9 - HB3 LEU 123 lone 2 61 - 3 - Peak 3233 from cnoeabs.peaks (3.96, 1.82, 41.28 ppm; 4.18 A): 3 out of 16 assignments used, quality = 1.00: * HA LEU 100 + HB2 LEU 100 OK 100 100 - 100 - 3.0=100 HA3 GLY 17 + HB2 LEU 100 OK 46 100 - 46 - 10679/1.8=14, ~10679=10...(11) HA2 GLY 17 + HB2 LEU 100 OK 46 100 - 46 - 10679/1.8=14, ~10679=10...(11) HB2 SER 106 - HB2 LEU 100 OK 23 92 - 25 - ~11465=10, ~10094=4...(10) HB3 SER 107 - HB2 LEU 100 OK 22 100 - 22 - 1.8/10107=8, 3242/1.8=3...(8) HA THR 65 - HB2 LEU 100 OK 15 65 - 24 - ~9417=6, 3258/3.2=4...(8) HA LEU 100 - HB3 LEU 123 OK 15 61 - 24 - 3.6/3239=4, 4.0/3238=4...(8) HA GLN 127 - HB2 LEU 100 poor 10 73 - 13 - ~10025=2, 3.0/10029=2...(6) HA2 GLY 17 - HB3 LEU 123 lone 4 61 - 6 - ~10678=2, 10680/3.2=1 HA3 GLY 17 - HB3 LEU 123 lone 4 61 - 6 - ~10678=2, 10680/3.2=1 HA GLN 127 - HB3 LEU 123 lone 3 38 - 8 - ~7803=4, 3.0/10029=3 HD3 PRO 117 - HB2 LEU 100 lone 3 65 - 4 - HA THR 65 - HB3 LEU 123 lone 2 33 - 7 - ~11025=3, ~6834=1, ~2067=1 HB3 SER 107 - HB3 LEU 123 lone 1 61 - 2 - HB2 SER 106 - HB3 LEU 123 lone 1 51 - 1 - HD3 PRO 117 - HB3 LEU 123 lone 0 33 - 1 - Peak 3234 from cnoeabs.peaks (1.82, 1.82, 41.28 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HB2 LEU 100 + HB2 LEU 100 OK 100 100 - 100 HB3 LEU 123 - HB3 LEU 123 OK 40 40 - 100 Peak 3235 from cnoeabs.peaks (1.38, 1.82, 41.28 ppm; 3.47 A): 1 out of 28 assignments used, quality = 1.00: * HB3 LEU 100 + HB2 LEU 100 OK 100 100 - 100 - 1.8=100 HG2 LYS 36 - HB2 LEU 100 OK 30 100 - 30 - 1008=4, 3260/3.2=3...(14) HB2 LEU 96 - HB2 LEU 100 OK 27 100 - 27 - ~10025=4, 3268/3.2=4...(13) HG3 LYS 26 - HB2 LEU 100 OK 24 99 - 24 - 3268/3.2=2, 3260/3.2=2...(11) HG2 LYS 36 - HB3 LEU 123 OK 24 61 - 39 - 10900/3.2=18, ~10901=7...(11) HG3 LYS 26 - HB3 LEU 123 OK 16 59 - 28 - ~10756=8, 10703/3.2=6...(6) HG2 LYS 24 - HB2 LEU 100 OK 15 100 - 15 - 3268/3.2=2, 3260/3.2=1...(4) HB3 LEU 100 - HB3 LEU 123 OK 15 61 - 24 - 3243=4, 3.2/3238=3...(10) HB2 LEU 42 - HB2 LEU 100 OK 11 100 - 11 - ~1309=1, 7398/3.9=1...(7) QB ALA 108 - HB2 LEU 100 lone 7 92 - 8 - ~3228=1, ~7557=1, 3223/3.0=1 QB ALA 29 - HB3 LEU 123 poor 7 61 - 11 - 752/3.9=4, ~11573=3...(4) HG3 LYS 95 - HB2 LEU 100 lone 6 87 - 7 - HG2 LYS 95 - HB2 LEU 100 lone 5 73 - 7 - QB ALA 29 - HB2 LEU 100 lone 5 100 - 5 - HG2 LYS 24 - HB3 LEU 123 lone 4 61 - 7 - 10703/3.2=2 QB ALA 110 - HB2 LEU 100 lone 3 98 - 3 - QB ALA 28 - HB2 LEU 100 lone 3 96 - 3 - QB ALA 15 - HB2 LEU 100 lone 2 98 - 2 - QB ALA 109 - HB2 LEU 100 lone 2 65 - 3 - QB ALA 28 - HB3 LEU 123 lone 2 54 - 3 - 752/3.9=2 HB2 LEU 96 - HB3 LEU 123 lone 1 61 - 2 - HG3 LYS 95 - HB3 LEU 123 lone 1 47 - 3 - HB2 LEU 42 - HB3 LEU 123 lone 1 61 - 2 - QB ALA 110 - HB3 LEU 123 lone 1 57 - 2 - HG2 LYS 95 - HB3 LEU 123 lone 1 38 - 3 - QB ALA 108 - HB3 LEU 123 lone 1 51 - 1 - QB ALA 15 - HB3 LEU 123 lone 1 57 - 1 - QB ALA 109 - HB3 LEU 123 lone 0 33 - 1 - Peak 3236 from cnoeabs.peaks (1.78, 1.82, 41.28 ppm; 3.04 A): 1 out of 6 assignments used, quality = 1.00: * HG LEU 100 + HB2 LEU 100 OK 100 100 - 100 - 3.0=100 HB2 LEU 48 - HB2 LEU 100 OK 20 96 - 21 - 3245/1.8=5, 3269/3.2=3...(7) HB3 LEU 98 - HB2 LEU 100 OK 17 73 - 24 - 7399/3.9=5, 3245/1.8=4...(8) HG LEU 100 - HB3 LEU 123 OK 10 61 - 17 - 2.1/3238=3, ~10348=3...(9) HB3 LEU 98 - HB3 LEU 123 OK 10 38 - 28 - 3170/1.8=3, ~3165=2...(14) HB2 LEU 48 - HB3 LEU 123 OK 10 54 - 19 - 1501/3.2=5, ~1510=3...(9) Peak 3237 from cnoeabs.peaks (0.68, 1.82, 41.28 ppm; 4.00 A): 2 out of 4 assignments used, quality = 1.00: * QD2 LEU 100 + HB2 LEU 100 OK 100 100 - 100 - 3.2=100 QD2 LEU 62 + HB2 LEU 100 OK 53 98 - 53 - 3246/1.8=13, 3254/3.0=10...(10) QD2 LEU 62 - HB3 LEU 123 OK 31 57 - 54 - 10348/3.2=17, 2001/1.8=9...(14) QD2 LEU 100 - HB3 LEU 123 OK 19 61 - 32 - 10348/3.2=10, 2.1/3238=5...(10) Peak 3238 from cnoeabs.peaks (0.60, 1.82, 41.28 ppm; 3.93 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 100 + HB2 LEU 100 OK 100 100 - 100 - 3.2=100 QD1 LEU 100 - HB3 LEU 123 OK 18 61 - 29 - ~10348=6, 11389/1.8=5...(10) Peak 3239 from cnoeabs.peaks (7.68, 1.82, 41.28 ppm; 4.71 A): 1 out of 4 assignments used, quality = 1.00: * H GLN 101 + HB2 LEU 100 OK 100 100 - 100 - 4.6=100 H GLN 101 - HB3 LEU 123 OK 25 61 - 42 - 11397/3.2=18, ~11400=10...(8) H CYS 45 - HB2 LEU 100 OK 16 65 - 24 - 3248/1.8=6, 3227/3.0=4...(6) H CYS 45 - HB3 LEU 123 poor 5 33 - 16 - 9163/3.2=6, ~9164=4...(4) Peak 3240 from cnoeabs.peaks (3.76, 1.38, 41.28 ppm; 5.05 A): 3 out of 3 assignments used, quality = 0.97: * HA GLU 97 + HB3 LEU 100 OK 87 100 - 87 - 10001/3.2=40...(12) HB2 SER 99 + HB3 LEU 100 OK 54 98 - 55 - 7394/3.9=16, 3231/1.8=11...(8) HA VAL 133 + HB3 LEU 100 OK 42 92 - 46 - ~11385=26, 3231/1.8=10...(7) Peak 3241 from cnoeabs.peaks (8.49, 1.38, 41.28 ppm; 4.17 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 100 + HB3 LEU 100 OK 100 100 - 100 - 3.9=100 H SER 9 - HB3 LEU 100 OK 43 100 - 43 - 3232/1.8=10, 3249/3.0=9...(7) Peak 3242 from cnoeabs.peaks (3.96, 1.38, 41.28 ppm; 4.18 A): 3 out of 8 assignments used, quality = 1.00: * HA LEU 100 + HB3 LEU 100 OK 100 100 - 100 - 3.0=100 HA2 GLY 17 + HB3 LEU 100 OK 45 100 - 46 - 10679=10, 1.8/10679=8...(12) HA3 GLY 17 + HB3 LEU 100 OK 45 100 - 46 - 10679=10, 1.8/10679=8...(12) HB3 SER 107 - HB3 LEU 100 OK 23 100 - 22 - ~10107=6, 3233/1.8=3...(8) HB2 SER 106 - HB3 LEU 100 OK 21 92 - 23 - 3.0/11465=7, 1.8/10094=3...(10) HA THR 65 - HB3 LEU 100 OK 15 65 - 23 - ~9417=6, 3258/3.2=4...(8) HA GLN 127 - HB3 LEU 100 poor 9 73 - 13 - ~10025=2, 3266/3.2=1...(6) HD3 PRO 117 - HB3 LEU 100 lone 3 65 - 4 - Peak 3243 from cnoeabs.peaks (1.82, 1.38, 41.28 ppm; 3.40 A): 1 out of 9 assignments used, quality = 1.00: * HB2 LEU 100 + HB3 LEU 100 OK 100 100 - 100 - 1.8=100 HB2 LYS 36 - HB3 LEU 100 OK 29 92 - 32 - 1.8/999=4, 988=3...(14) HB3 LYS 26 - HB3 LEU 100 OK 23 98 - 24 - 3267/3.2=3, 3222/3.0=2...(8) HB ILE 32 - HB3 LEU 100 OK 20 96 - 20 - 3267/3.2=3, 3259/3.2=3...(10) HB3 LEU 123 - HB3 LEU 100 OK 17 77 - 22 - 3238/3.2=3, 3.2/11421=3...(10) HB3 LYS 24 - HB3 LEU 100 OK 12 73 - 16 - 4.7/6234=2, 3.0/483=1...(6) HB3 ARG 23 - HB3 LEU 100 OK 11 100 - 11 - 3222/3.0=1, ~428=1...(4) HB VAL 93 - HB3 LEU 100 OK 11 87 - 12 - ~2926=2, ~2920=2...(7) HB3 ARG 135 - HB3 LEU 100 lone 7 96 - 7 - ~4315=1 Peak 3244 from cnoeabs.peaks (1.38, 1.38, 41.28 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 100 + HB3 LEU 100 OK 100 100 - 100 Peak 3245 from cnoeabs.peaks (1.78, 1.38, 41.28 ppm; 3.48 A): 1 out of 3 assignments used, quality = 1.00: * HG LEU 100 + HB3 LEU 100 OK 100 100 - 100 - 3.0=100 HB2 LEU 48 - HB3 LEU 100 OK 26 96 - 27 - 3236/1.8=5, 3269/3.2=4...(7) HB3 LEU 98 - HB3 LEU 100 OK 24 73 - 33 - 7399/3.9=7, 7413/4.6=5...(9) Peak 3246 from cnoeabs.peaks (0.68, 1.38, 41.28 ppm; 3.79 A): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 100 + HB3 LEU 100 OK 100 100 - 100 - 3.2=100 QD2 LEU 62 + HB3 LEU 100 OK 48 98 - 49 - 3254/3.0=10, 3270/3.2=9...(10) Peak 3247 from cnoeabs.peaks (0.60, 1.38, 41.28 ppm; 3.79 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 100 + HB3 LEU 100 OK 100 100 - 100 - 3.2=100 Peak 3248 from cnoeabs.peaks (7.68, 1.38, 41.28 ppm; 4.77 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 101 + HB3 LEU 100 OK 100 100 - 100 - 4.6=100 H CYS 45 - HB3 LEU 100 OK 17 65 - 25 - 3227/3.0=5, 7402/3.9=4...(6) Peak 3249 from cnoeabs.peaks (8.49, 1.78, 26.11 ppm; 4.28 A): 1 out of 2 assignments used, quality = 0.97: * H LEU 100 + HG LEU 100 OK 97 100 - 97 - 5.1=59, 7401/2.1=39...(20) H SER 9 - HG LEU 100 OK 44 100 - 43 - 3265/2.1=12, 3257/2.1=11...(6) Peak 3250 from cnoeabs.peaks (3.96, 1.78, 26.11 ppm; 5.12 A): 3 out of 8 assignments used, quality = 1.00: * HA LEU 100 + HG LEU 100 OK 100 100 - 100 - 3.7=100 HA2 GLY 17 + HG LEU 100 OK 54 100 - 54 - 10679/3.0=15, ~10679=11...(11) HA3 GLY 17 + HG LEU 100 OK 54 100 - 54 - 10679/3.0=15, ~10679=11...(11) HB3 SER 107 - HG LEU 100 OK 26 100 - 26 - ~10107=7, 3242/3.0=4...(8) HB2 SER 106 - HG LEU 100 OK 25 92 - 27 - ~11465=11, ~10094=4...(7) HA THR 65 - HG LEU 100 OK 21 65 - 33 - ~9417=11, ~9432=8...(7) HA GLN 127 - HG LEU 100 OK 11 73 - 15 - ~10025=5, 3266/2.1=2...(7) HD3 PRO 117 - HG LEU 100 lone 2 65 - 3 - Peak 3251 from cnoeabs.peaks (1.82, 1.78, 26.11 ppm; 3.77 A): 1 out of 9 assignments used, quality = 1.00: * HB2 LEU 100 + HG LEU 100 OK 100 100 - 100 - 3.0=100 HB ILE 32 - HG LEU 100 OK 24 96 - 25 - 3.2/11386=4, 3267/2.1=4...(8) HB2 LYS 36 - HG LEU 100 OK 24 92 - 27 - 3243/3.0=4, 3259/2.1=4...(12) HB3 LYS 26 - HG LEU 100 OK 22 98 - 23 - 3267/2.1=4, 3259/2.1=3...(8) HB3 LEU 123 - HG LEU 100 OK 20 77 - 26 - ~10348=5, 3238/2.1=5...(9) HB VAL 93 - HG LEU 100 OK 10 87 - 12 - ~2926=2, 3267/2.1=2...(6) HB3 ARG 23 - HG LEU 100 OK 10 100 - 10 - 3243/3.0=2, 3222/3.7=1...(5) HB3 LYS 24 - HG LEU 100 OK 10 73 - 14 - 3267/2.1=2, 3243/3.0=2...(6) HB3 ARG 135 - HG LEU 100 lone 7 96 - 8 - 3259/2.1=1, 3267/2.1=1 Peak 3252 from cnoeabs.peaks (1.38, 1.78, 26.11 ppm; 4.57 A): 1 out of 14 assignments used, quality = 1.00: * HB3 LEU 100 + HG LEU 100 OK 100 100 - 100 - 3.0=100 HB2 LEU 96 - HG LEU 100 OK 45 100 - 45 - ~10025=10, 4.4/9998=9...(13) HG2 LYS 36 - HG LEU 100 OK 35 100 - 36 - 3260/2.1=5, 3268/2.1=4...(14) HG3 LYS 26 - HG LEU 100 OK 32 99 - 32 - 3268/2.1=5, 3260/2.1=4...(12) HG2 LYS 24 - HG LEU 100 OK 21 100 - 21 - 3268/2.1=3, 3260/2.1=3...(10) HB2 LEU 42 - HG LEU 100 OK 17 100 - 17 - 3268/2.1=2, ~1309=2...(11) HG3 LYS 95 - HG LEU 100 OK 11 87 - 13 - 3268/2.1=2, ~11389=1...(4) HG2 LYS 95 - HG LEU 100 poor 9 73 - 12 - ~11389=1, 3268/2.1=1...(4) QB ALA 108 - HG LEU 100 lone 7 92 - 8 - 3223/3.7=2 QB ALA 29 - HG LEU 100 lone 7 100 - 7 - QB ALA 110 - HG LEU 100 lone 5 98 - 5 - QB ALA 28 - HG LEU 100 lone 4 96 - 4 - QB ALA 15 - HG LEU 100 lone 3 98 - 3 - QB ALA 109 - HG LEU 100 lone 2 65 - 4 - Peak 3253 from cnoeabs.peaks (1.78, 1.78, 26.11 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 100 + HG LEU 100 OK 100 100 - 100 Peak 3254 from cnoeabs.peaks (0.68, 1.78, 26.11 ppm; 3.81 A): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 100 + HG LEU 100 OK 100 100 - 100 - 2.1=100 QD2 LEU 62 + HG LEU 100 OK 51 98 - 52 - 3270/2.1=11, 3246/3.0=9...(11) Peak 3255 from cnoeabs.peaks (0.60, 1.78, 26.11 ppm; 3.74 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 100 + HG LEU 100 OK 100 100 - 100 - 2.1=100 Peak 3257 from cnoeabs.peaks (8.49, 0.68, 23.54 ppm; 3.82 A): 2 out of 2 assignments used, quality = 0.94: * H LEU 100 + QD2 LEU 100 OK 91 100 - 91 - 5.1=43, 7401/2.1=32...(14) H SER 9 + QD2 LEU 100 OK 35 100 - 35 - 3265/2.1=10, 3249/2.1=9...(6) Peak 3258 from cnoeabs.peaks (3.96, 0.68, 23.54 ppm; 3.08 A): 5 out of 8 assignments used, quality = 0.88: * HA LEU 100 + QD2 LEU 100 OK 74 100 - 74 - 4.1=44, 2.9/3257=14...(10) HA2 GLY 17 + QD2 LEU 100 OK 23 100 - 23 - 10679/3.2=6, ~10679=4...(10) HA3 GLY 17 + QD2 LEU 100 OK 23 100 - 23 - 10679/3.2=6, ~10679=4...(10) HA THR 65 + QD2 LEU 100 OK 17 65 - 26 - 4.9/10024=6, 3.6/9435=6...(6) HB3 SER 107 + QD2 LEU 100 OK 10 100 - 10 - ~10107=2, 3242/3.2=1...(4) HB2 SER 106 - QD2 LEU 100 lone 9 92 - 10 - ~11465=3, ~10094=1...(5) HA GLN 127 - QD2 LEU 100 lone 6 73 - 8 - 3.0/10025=3 HD3 PRO 117 - QD2 LEU 100 lone 1 65 - 1 - Peak 3259 from cnoeabs.peaks (1.82, 0.68, 23.54 ppm; 3.08 A): 1 out of 9 assignments used, quality = 0.94: * HB2 LEU 100 + QD2 LEU 100 OK 94 100 - 94 - 3.2=92, 3.0/3225=14...(4) HB ILE 32 - QD2 LEU 100 OK 17 96 - 18 - 3.2/11387=4, 3267/2.1=3...(7) HB2 LYS 36 - QD2 LEU 100 OK 16 92 - 18 - 3243/3.2=3, 3267/2.1=3...(6) HB3 LYS 26 - QD2 LEU 100 OK 15 98 - 15 - 3267/2.1=3, 3251/2.1=2...(5) HB3 LEU 123 - QD2 LEU 100 OK 15 77 - 19 - 3.2/10348=5, 3238/2.1=3...(7) HB3 LYS 24 - QD2 LEU 100 lone 7 73 - 9 - 3267/2.1=1, 2.9/3260=1...(4) HB VAL 93 - QD2 LEU 100 lone 6 87 - 7 - 3267/2.1=1, ~2926=1, 3251/2.1=1 HB3 ARG 23 - QD2 LEU 100 lone 6 100 - 6 - 3251/2.1=1 HB3 ARG 135 - QD2 LEU 100 lone 4 96 - 5 - Peak 3260 from cnoeabs.peaks (1.38, 0.68, 23.54 ppm; 3.18 A): 1 out of 14 assignments used, quality = 1.00: * HB3 LEU 100 + QD2 LEU 100 OK 100 100 - 100 - 3.2=100 HB2 LEU 96 - QD2 LEU 100 OK 22 100 - 22 - 1.8/10025=7, 3268/2.1=4...(8) HG2 LYS 36 - QD2 LEU 100 OK 19 100 - 19 - 3268/2.1=3, 3.0/3259=2...(9) HG3 LYS 26 - QD2 LEU 100 OK 16 99 - 17 - 3268/2.1=3, 3.0/3259=2...(8) HG2 LYS 24 - QD2 LEU 100 OK 10 100 - 10 - 3268/2.1=2, 3252/2.1=1 HB2 LEU 42 - QD2 LEU 100 lone 7 100 - 7 - 3268/2.1=1 HG3 LYS 95 - QD2 LEU 100 lone 5 87 - 5 - HG2 LYS 95 - QD2 LEU 100 lone 4 73 - 5 - QB ALA 108 - QD2 LEU 100 lone 4 92 - 4 - QB ALA 29 - QD2 LEU 100 lone 3 100 - 3 - QB ALA 110 - QD2 LEU 100 lone 2 98 - 2 - QB ALA 28 - QD2 LEU 100 lone 2 96 - 2 - QB ALA 15 - QD2 LEU 100 lone 2 98 - 2 - QB ALA 109 - QD2 LEU 100 lone 1 65 - 2 - Peak 3261 from cnoeabs.peaks (1.78, 0.68, 23.54 ppm; 2.97 A): 1 out of 3 assignments used, quality = 1.00: * HG LEU 100 + QD2 LEU 100 OK 100 100 - 100 - 2.1=100 HB2 LEU 48 - QD2 LEU 100 OK 18 96 - 18 - 3269/2.1=4, 3245/3.2=3...(6) HB3 LEU 98 - QD2 LEU 100 OK 15 73 - 20 - 3269/2.1=4, 3245/3.2=3...(8) Peak 3262 from cnoeabs.peaks (0.68, 0.68, 23.54 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 100 + QD2 LEU 100 OK 100 100 - 100 Peak 3263 from cnoeabs.peaks (0.60, 0.68, 23.54 ppm; 2.50 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 100 + QD2 LEU 100 OK 100 100 - 100 - 2.1=100 Peak 3264 from cnoeabs.peaks (7.68, 0.68, 23.54 ppm; 4.59 A): 1 out of 2 assignments used, quality = 0.95: * H GLN 101 + QD2 LEU 100 OK 95 100 - 95 - 7415/2.1=36, 3.1/3257=27...(17) H CYS 45 - QD2 LEU 100 OK 14 65 - 21 - 3248/3.2=4, 3272/2.1=4...(6) Peak 3265 from cnoeabs.peaks (8.49, 0.60, 25.62 ppm; 4.00 A): 2 out of 2 assignments used, quality = 0.97: * H LEU 100 + QD1 LEU 100 OK 95 100 - 95 - 4.9=56, 3257/2.1=27...(19) H SER 9 + QD1 LEU 100 OK 39 100 - 39 - 3257/2.1=11, 3249/2.1=10...(7) Peak 3266 from cnoeabs.peaks (3.96, 0.60, 25.62 ppm; 4.23 A): 1 out of 8 assignments used, quality = 1.00: * HA LEU 100 + QD1 LEU 100 OK 100 100 - 100 - 4.0=100 HA2 GLY 17 - QD1 LEU 100 OK 43 100 - 43 - 10679/3.2=11, ~10679=7...(11) HA3 GLY 17 - QD1 LEU 100 OK 43 100 - 43 - 10679/3.2=11, ~10679=7...(11) HA THR 65 - QD1 LEU 100 OK 34 65 - 52 - 3.6/10045=21...(8) HB2 SER 106 - QD1 LEU 100 OK 19 92 - 20 - ~11465=7, ~10094=3...(7) HB3 SER 107 - QD1 LEU 100 OK 19 100 - 18 - ~10107=4, 3258/2.1=3...(6) HA GLN 127 - QD1 LEU 100 OK 13 73 - 18 - ~10025=3, 11611/9002=2...(9) HD3 PRO 117 - QD1 LEU 100 lone 1 65 - 2 - Peak 3267 from cnoeabs.peaks (1.82, 0.60, 25.62 ppm; 3.34 A): 1 out of 9 assignments used, quality = 1.00: * HB2 LEU 100 + QD1 LEU 100 OK 100 100 - 100 - 3.2=100 HB ILE 32 - QD1 LEU 100 OK 22 96 - 23 - 3.2/11388=4, 3259/2.1=3...(9) HB3 LYS 26 - QD1 LEU 100 OK 21 98 - 22 - 3259/2.1=3, 3251/2.1=3...(10) HB2 LYS 36 - QD1 LEU 100 OK 19 92 - 21 - 3259/2.1=3, 3243/3.2=3...(8) HB3 LEU 123 - QD1 LEU 100 OK 18 77 - 23 - 3238=5, 1.8/11389=4...(9) HB3 LYS 24 - QD1 LEU 100 poor 10 73 - 14 - 2.9/3268=2, 3.5/11389=1...(6) HB VAL 93 - QD1 LEU 100 lone 9 87 - 10 - ~2926=1, 3259/2.1=1...(4) HB3 ARG 23 - QD1 LEU 100 lone 7 100 - 7 - 3251/2.1=1, 3259/2.1=1...(4) HB3 ARG 135 - QD1 LEU 100 lone 6 96 - 6 - Peak 3268 from cnoeabs.peaks (1.38, 0.60, 25.62 ppm; 3.34 A): 1 out of 14 assignments used, quality = 1.00: * HB3 LEU 100 + QD1 LEU 100 OK 100 100 - 100 - 3.2=100 HB2 LEU 96 - QD1 LEU 100 OK 31 100 - 31 - ~10025=5, 3.8/10043=5...(11) HG3 LYS 26 - QD1 LEU 100 OK 21 99 - 21 - 3260/2.1=3, 3.0/3267=3...(9) HG2 LYS 36 - QD1 LEU 100 OK 20 100 - 20 - 3260/2.1=3, 3.0/3267=2...(10) HG2 LYS 24 - QD1 LEU 100 OK 14 100 - 14 - 3260/2.1=2, 3.0/11389=2...(6) HB2 LEU 42 - QD1 LEU 100 lone 9 100 - 9 - 3260/2.1=1, 3252/2.1=1 HG3 LYS 95 - QD1 LEU 100 lone 7 87 - 8 - 2.9/11389=1, 2.9/11389=1 HG2 LYS 95 - QD1 LEU 100 lone 6 73 - 8 - 2.9/11389=1, 2.9/11389=1 QB ALA 108 - QD1 LEU 100 lone 4 92 - 4 - QB ALA 29 - QD1 LEU 100 lone 3 100 - 3 - QB ALA 110 - QD1 LEU 100 lone 2 98 - 2 - QB ALA 28 - QD1 LEU 100 lone 2 96 - 2 - QB ALA 15 - QD1 LEU 100 lone 2 98 - 2 - QB ALA 109 - QD1 LEU 100 lone 1 65 - 2 - Peak 3269 from cnoeabs.peaks (1.78, 0.60, 25.62 ppm; 3.28 A): 1 out of 3 assignments used, quality = 1.00: * HG LEU 100 + QD1 LEU 100 OK 100 100 - 100 - 2.1=100 HB2 LEU 48 - QD1 LEU 100 OK 23 96 - 23 - 3261/2.1=5, 3245/3.2=4...(8) HB3 LEU 98 - QD1 LEU 100 OK 20 73 - 27 - 1.8/11389=5, 7399/4.9=4...(9) Peak 3270 from cnoeabs.peaks (0.68, 0.60, 25.62 ppm; 2.71 A): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 100 + QD1 LEU 100 OK 100 100 - 100 - 2.1=100 QD2 LEU 62 - QD1 LEU 100 OK 33 98 - 33 - 3254/2.1=6, 9386/10034=5...(13) Peak 3271 from cnoeabs.peaks (0.60, 0.60, 25.62 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 100 + QD1 LEU 100 OK 100 100 - 100 Peak 3272 from cnoeabs.peaks (7.68, 0.60, 25.62 ppm; 5.63 A): 1 out of 2 assignments used, quality = 0.99: * H GLN 101 + QD1 LEU 100 OK 99 100 - 99 - 7415=50, 3.1/7401=46...(20) H CYS 45 - QD1 LEU 100 OK 19 65 - 29 - 3264/2.1=6, 3248/3.2=6...(6) Peak 3273 from cnoeabs.peaks (7.68, 4.10, 58.80 ppm; 3.66 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 101 + HA GLN 101 OK 100 100 - 100 - 2.9=100 H CYS 45 - HA GLN 101 OK 17 65 - 25 - 7446/3.5=4, 3296/3.0=3...(11) Peak 3274 from cnoeabs.peaks (4.10, 4.10, 58.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLN 101 + HA GLN 101 OK 100 100 - 100 Peak 3275 from cnoeabs.peaks (2.21, 4.10, 58.80 ppm; 3.18 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLN 101 + HA GLN 101 OK 100 100 - 100 - 3.0=100 HB2 GLN 82 - HA GLN 101 OK 39 96 - 41 - 11214/3.8=16, 3298/3.0=7...(9) HB3 GLU 97 - HA GLN 101 OK 18 57 - 31 - 2.9/3277=5, 7417/2.9=3...(13) Peak 3276 from cnoeabs.peaks (2.30, 4.10, 58.80 ppm; 3.40 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 101 + HA GLN 101 OK 100 100 - 100 - 3.0=100 Peak 3277 from cnoeabs.peaks (2.42, 4.10, 58.80 ppm; 3.53 A): 1 out of 4 assignments used, quality = 0.98: * HG2 GLN 101 + HA GLN 101 OK 98 100 - 98 - 3.8=81, 3308/3.0=36...(17) HG3 GLU 97 - HA GLN 101 OK 37 98 - 38 - 3290/3.0=7, 3300/3.0=7...(13) HG3 GLU 128 - HA GLN 101 OK 27 99 - 27 - 7450/3.5=5, 3.0/3284=4...(9) HG3 GLN 61 - HA GLN 101 lone 1 57 - 2 - Peak 3278 from cnoeabs.peaks (2.56, 4.10, 58.80 ppm; 3.77 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 101 + HA GLN 101 OK 100 100 - 100 - 3.8=98, 7420/2.9=31...(16) Peak 3281 from cnoeabs.peaks (7.85, 4.10, 58.80 ppm; 3.99 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 102 + HA GLN 101 OK 100 100 - 100 - 3.5=100 H ALA 88 - HA GLN 101 OK 38 81 - 47 - 3.0/11293=15, 3294/3.0=8...(8) Peak 3282 from cnoeabs.peaks (7.90, 4.10, 58.80 ppm; 4.18 A): 2 out of 4 assignments used, quality = 0.89: * H GLN 104 + HA GLN 101 OK 84 100 - 84 - 7483/3.5=36, 7482=31...(8) H SER 106 + HA GLN 101 OK 31 99 - 31 - 4.7/7517=14, 7460/3.5=7...(6) H ALA 41 - HA GLN 101 lone 6 92 - 6 - 7460/3.5=2, 3422/3283=1 H THR 115 - HA GLN 101 lone 2 73 - 3 - Peak 3283 from cnoeabs.peaks (2.19, 4.10, 58.80 ppm; 3.18 A): 1 out of 2 assignments used, quality = 0.49: * HB2 GLN 104 + HA GLN 101 OK 49 100 - 50 - 3421=23, 1.8/3431=18...(4) HB VAL 133 - HA GLN 101 lone 7 100 - 7 - 3434/3431=2, 7493/7482=1...(4) Peak 3284 from cnoeabs.peaks (2.22, 4.10, 58.80 ppm; 3.24 A): 4 out of 8 assignments used, quality = 0.78: * HB3 GLN 104 + HA GLN 101 OK 60 100 - 60 - 1.8/3283=31, 3431=23...(5) HB3 GLU 97 + HA GLN 101 OK 21 87 - 24 - 2.9/3277=5, 4.7/7362=3...(10) HB3 GLU 128 + HA GLN 101 OK 19 98 - 19 - 3.0/3277=4, 7456/3.5=3...(10) HB3 GLU 102 + HA GLN 101 OK 15 81 - 19 - 3341/3.5=10, 4.6/7465=6 HB2 GLN 68 - HA GLN 101 lone 5 98 - 6 - ~11396=2 HB3 GLN 127 - HA GLN 101 lone 5 96 - 5 - 7456/3.5=2 HG2 GLU 91 - HA GLN 101 lone 2 92 - 2 - HG2 GLN 68 - HA GLN 101 lone 1 65 - 2 - Peak 3285 from cnoeabs.peaks (4.11, 2.21, 27.91 ppm; 3.40 A): 2 out of 6 assignments used, quality = 1.00: HA GLN 101 + HB2 GLN 101 OK 98 98 - 100 - 3.0=100 * HA LEU 98 + HB2 GLN 101 OK 79 100 - 79 - 3156=33, 3157/1.8=29...(17) HA LEU 49 - HB2 GLN 101 OK 20 100 - 20 - 4.8/11396=5...(7) HA LEU 48 - HB2 GLN 101 OK 11 98 - 11 - 3295/1.8=2, 7406/4.0=1...(5) HA ILE 32 - HB2 GLN 101 lone 8 98 - 8 - 3295/1.8=1, 7406/4.0=1 HA CYS 79 - HB2 GLN 101 lone 5 100 - 5 - Peak 3286 from cnoeabs.peaks (7.68, 2.21, 27.91 ppm; 3.69 A): 1 out of 2 assignments used, quality = 0.99: * H GLN 101 + HB2 GLN 101 OK 99 100 - 99 - 4.0=81, 7418/1.8=42...(24) H CYS 45 - HB2 GLN 101 OK 13 65 - 20 - 3296/1.8=5, 3273/3.0=4...(7) Peak 3287 from cnoeabs.peaks (4.10, 2.21, 27.91 ppm; 3.40 A): 2 out of 6 assignments used, quality = 1.00: * HA GLN 101 + HB2 GLN 101 OK 100 100 - 100 - 3.0=100 HA LEU 98 + HB2 GLN 101 OK 76 98 - 78 - 3156=32, 3157/1.8=28...(17) HA LEU 49 - HB2 GLN 101 OK 19 96 - 20 - 4.8/11396=5...(7) HA LEU 48 - HB2 GLN 101 poor 10 87 - 11 - 3295/1.8=2, 3315/2.9=1...(5) HA ILE 32 - HB2 GLN 101 lone 7 87 - 8 - 3295/1.8=1, 7406/4.0=1 HA CYS 79 - HB2 GLN 101 lone 5 98 - 5 - Peak 3288 from cnoeabs.peaks (2.21, 2.21, 27.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 101 + HB2 GLN 101 OK 100 100 - 100 Peak 3289 from cnoeabs.peaks (2.30, 2.21, 27.91 ppm; 2.81 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 101 + HB2 GLN 101 OK 100 100 - 100 - 1.8=100 Peak 3290 from cnoeabs.peaks (2.42, 2.21, 27.91 ppm; 3.35 A): 1 out of 4 assignments used, quality = 1.00: * HG2 GLN 101 + HB2 GLN 101 OK 100 100 - 100 - 2.9=100 HG3 GLU 97 - HB2 GLN 101 OK 40 98 - 41 - 3300/1.8=8, 3277/3.0=6...(16) HG3 GLU 128 - HB2 GLN 101 OK 24 99 - 24 - 3300/1.8=5, 3277/3.0=4...(11) HG3 GLN 61 - HB2 GLN 101 lone 1 57 - 1 - Peak 3291 from cnoeabs.peaks (2.56, 2.21, 27.91 ppm; 3.66 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 101 + HB2 GLN 101 OK 100 100 - 100 - 2.9=100 Peak 3292 from cnoeabs.peaks (6.79, 2.21, 27.91 ppm; 6.02 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 101 + HB2 GLN 101 OK 100 100 - 100 - 4.5=100 Peak 3293 from cnoeabs.peaks (7.38, 2.21, 27.91 ppm; 5.77 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 101 + HB2 GLN 101 OK 100 100 - 100 - 4.5=100 Peak 3294 from cnoeabs.peaks (7.85, 2.21, 27.91 ppm; 3.62 A): 2 out of 2 assignments used, quality = 0.95: * H GLU 102 + HB2 GLN 101 OK 93 100 - 93 - 4.7=47, 7449/1.8=40...(13) H ALA 88 + HB2 GLN 101 OK 30 81 - 37 - 3304/1.8=8, 3281/3.0=7...(9) Peak 3295 from cnoeabs.peaks (4.11, 2.30, 27.91 ppm; 3.44 A): 2 out of 6 assignments used, quality = 1.00: HA GLN 101 + HB3 GLN 101 OK 98 98 - 100 - 3.0=100 * HA LEU 98 + HB3 GLN 101 OK 78 100 - 78 - 3157=35, 3156/1.8=26...(17) HA LEU 49 - HB3 GLN 101 OK 14 100 - 14 - 3285/1.8=3, 7406/4.0=2...(6) HA LEU 48 - HB3 GLN 101 OK 11 98 - 11 - 3285/1.8=2, 7406/4.0=1...(4) HA ILE 32 - HB3 GLN 101 lone 8 98 - 8 - 3285/1.8=1, 7406/4.0=1 HA CYS 79 - HB3 GLN 101 lone 5 100 - 5 - Peak 3296 from cnoeabs.peaks (7.68, 2.30, 27.91 ppm; 3.70 A): 1 out of 2 assignments used, quality = 0.99: * H GLN 101 + HB3 GLN 101 OK 99 100 - 99 - 4.0=82, 3286/1.8=32...(22) H CYS 45 - HB3 GLN 101 OK 14 65 - 21 - 3286/1.8=4, 3273/3.0=4...(8) Peak 3297 from cnoeabs.peaks (4.10, 2.30, 27.91 ppm; 3.44 A): 2 out of 6 assignments used, quality = 1.00: * HA GLN 101 + HB3 GLN 101 OK 100 100 - 100 - 3.0=100 HA LEU 98 + HB3 GLN 101 OK 76 98 - 78 - 3157=33, 3156/1.8=25...(17) HA LEU 49 - HB3 GLN 101 OK 13 96 - 14 - 3287/1.8=3, 7406/4.0=2...(6) HA LEU 48 - HB3 GLN 101 poor 10 87 - 11 - 3285/1.8=2, 3315/2.9=1...(4) HA ILE 32 - HB3 GLN 101 lone 7 87 - 8 - 3285/1.8=1, 7406/4.0=1 HA CYS 79 - HB3 GLN 101 lone 5 98 - 5 - Peak 3298 from cnoeabs.peaks (2.21, 2.30, 27.91 ppm; 2.85 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLN 101 + HB3 GLN 101 OK 100 100 - 100 - 1.8=100 HB2 GLN 82 - HB3 GLN 101 OK 42 96 - 44 - 11214/2.9=17, ~11215=9...(10) HB3 GLU 97 - HB3 GLN 101 OK 16 57 - 28 - 2.9/3300=5, 3307/2.9=3...(15) Peak 3299 from cnoeabs.peaks (2.30, 2.30, 27.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 101 + HB3 GLN 101 OK 100 100 - 100 Peak 3300 from cnoeabs.peaks (2.42, 2.30, 27.91 ppm; 3.42 A): 1 out of 4 assignments used, quality = 1.00: * HG2 GLN 101 + HB3 GLN 101 OK 100 100 - 100 - 2.9=100 HG3 GLU 97 - HB3 GLN 101 OK 41 98 - 42 - 3290/1.8=9, 3277/3.0=6...(17) HG3 GLU 128 - HB3 GLN 101 OK 25 99 - 25 - 3290/1.8=5, 3277/3.0=4...(11) HG3 GLN 61 - HB3 GLN 101 lone 1 57 - 1 - Peak 3301 from cnoeabs.peaks (2.56, 2.30, 27.91 ppm; 3.66 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 101 + HB3 GLN 101 OK 100 100 - 100 - 2.9=100 Peak 3304 from cnoeabs.peaks (7.85, 2.30, 27.91 ppm; 4.04 A): 1 out of 2 assignments used, quality = 0.97: * H GLU 102 + HB3 GLN 101 OK 97 100 - 97 - 4.7=66, 3.1/7418=35...(13) H ALA 88 - HB3 GLN 101 OK 36 81 - 45 - 3294/1.8=10, 3281/3.0=8...(9) Peak 3305 from cnoeabs.peaks (7.68, 2.42, 33.80 ppm; 3.46 A): 2 out of 2 assignments used, quality = 0.95: * H GLN 101 + HG2 GLN 101 OK 94 100 - 94 - 4.7=39, 7420/1.8=35...(20) H CYS 45 + HG2 GLN 101 OK 11 65 - 16 - 3314/1.8=4, 3296/2.9=3...(6) Peak 3306 from cnoeabs.peaks (4.10, 2.42, 33.80 ppm; 3.26 A): 2 out of 6 assignments used, quality = 0.98: * HA GLN 101 + HG2 GLN 101 OK 95 100 - 95 - 3.8=64, 3.0/3308=31...(17) HA LEU 98 + HG2 GLN 101 OK 65 98 - 67 - 3157/2.9=20, 3156/2.9=17...(14) HA LEU 49 - HG2 GLN 101 poor 10 96 - 10 - 3287/2.9=2, 3315/1.8=2...(4) HA LEU 48 - HG2 GLN 101 lone 9 87 - 10 - 3315/1.8=2, 3285/2.9=1...(4) HA ILE 32 - HG2 GLN 101 lone 6 87 - 7 - 3315/1.8=1 HA CYS 79 - HG2 GLN 101 lone 4 98 - 4 - Peak 3307 from cnoeabs.peaks (2.21, 2.42, 33.80 ppm; 2.86 A): 2 out of 3 assignments used, quality = 0.99: * HB2 GLN 101 + HG2 GLN 101 OK 98 100 - 98 - 2.9=93, 1.8/3308=37...(15) HB2 GLN 82 + HG2 GLN 101 OK 54 96 - 56 - 11214=23, 1.8/11215=20...(10) HB3 GLU 97 - HG2 GLN 101 OK 19 57 - 33 - 1.8/3123=5, 3.0/3112=3...(16) Peak 3308 from cnoeabs.peaks (2.30, 2.42, 33.80 ppm; 2.56 A): 1 out of 1 assignment used, quality = 0.84: * HB3 GLN 101 + HG2 GLN 101 OK 84 100 - 84 - 2.9=67, 1.8/3307=15...(12) Peak 3309 from cnoeabs.peaks (2.42, 2.42, 33.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 101 + HG2 GLN 101 OK 100 100 - 100 Peak 3310 from cnoeabs.peaks (2.56, 2.42, 33.80 ppm; 2.50 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 101 + HG2 GLN 101 OK 100 100 - 100 - 1.8=100 Peak 3311 from cnoeabs.peaks (6.79, 2.42, 33.80 ppm; 4.26 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 101 + HG2 GLN 101 OK 100 100 - 100 - 3.5=100 Peak 3312 from cnoeabs.peaks (7.38, 2.42, 33.80 ppm; 3.83 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 101 + HG2 GLN 101 OK 100 100 - 100 - 3.5=100 Peak 3313 from cnoeabs.peaks (7.85, 2.42, 33.80 ppm; 4.24 A): 1 out of 2 assignments used, quality = 0.97: * H GLU 102 + HG2 GLN 101 OK 97 100 - 97 - 7451/1.8=45, 7449/2.9=39...(15) H ALA 88 - HG2 GLN 101 OK 34 81 - 42 - 3322/1.8=10, 3304/2.9=9...(8) Peak 3314 from cnoeabs.peaks (7.68, 2.56, 33.80 ppm; 3.47 A): 1 out of 2 assignments used, quality = 0.96: * H GLN 101 + HG3 GLN 101 OK 96 100 - 96 - 7420=47, 3305/1.8=32...(18) H CYS 45 - HG3 GLN 101 OK 11 65 - 17 - 3305/1.8=4, 3296/2.9=3...(7) Peak 3315 from cnoeabs.peaks (4.10, 2.56, 33.80 ppm; 3.32 A): 2 out of 6 assignments used, quality = 0.98: * HA GLN 101 + HG3 GLN 101 OK 94 100 - 94 - 3.8=67, 2.9/7420=24...(16) HA LEU 98 + HG3 GLN 101 OK 67 98 - 68 - 3157/2.9=21, 3156/2.9=17...(13) HA LEU 49 - HG3 GLN 101 OK 12 96 - 13 - 9195/11392=2, 3287/2.9=2...(5) HA LEU 48 - HG3 GLN 101 OK 10 87 - 12 - 3306/1.8=2, 3.0/10051=2...(5) HA ILE 32 - HG3 GLN 101 lone 6 87 - 6 - 3306/1.8=1 HA CYS 79 - HG3 GLN 101 lone 4 98 - 4 - Peak 3316 from cnoeabs.peaks (2.21, 2.56, 33.80 ppm; 3.12 A): 2 out of 3 assignments used, quality = 1.00: * HB2 GLN 101 + HG3 GLN 101 OK 100 100 - 100 - 2.9=100 HB2 GLN 82 + HG3 GLN 101 OK 54 96 - 57 - 11214/1.8=28, ~11215=18...(10) HB3 GLU 97 - HG3 GLN 101 OK 18 57 - 31 - 2.9/3318=5, 3307/1.8=4...(15) Peak 3317 from cnoeabs.peaks (2.30, 2.56, 33.80 ppm; 3.08 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 101 + HG3 GLN 101 OK 100 100 - 100 - 2.9=100 Peak 3318 from cnoeabs.peaks (2.42, 2.56, 33.80 ppm; 2.50 A): 1 out of 4 assignments used, quality = 1.00: * HG2 GLN 101 + HG3 GLN 101 OK 100 100 - 100 - 1.8=100 HG3 GLU 97 - HG3 GLN 101 OK 21 98 - 22 - 3290/2.9=3, 3300/2.9=3...(10) HG3 GLU 128 - HG3 GLN 101 OK 13 99 - 13 - 3290/2.9=2, 3300/2.9=2...(8) HG3 GLN 61 - HG3 GLN 101 lone 0 57 - 1 - Peak 3319 from cnoeabs.peaks (2.56, 2.56, 33.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 101 + HG3 GLN 101 OK 100 100 - 100 Peak 3320 from cnoeabs.peaks (6.79, 2.56, 33.80 ppm; 4.08 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 101 + HG3 GLN 101 OK 100 100 - 100 - 3.5=100 Peak 3321 from cnoeabs.peaks (7.38, 2.56, 33.80 ppm; 3.73 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 101 + HG3 GLN 101 OK 100 100 - 100 - 3.5=100 Peak 3322 from cnoeabs.peaks (7.85, 2.56, 33.80 ppm; 4.36 A): 1 out of 2 assignments used, quality = 0.98: * H GLU 102 + HG3 GLN 101 OK 98 100 - 98 - 7451=50, 7449/2.9=40...(15) H ALA 88 - HG3 GLN 101 OK 36 81 - 44 - 3313/1.8=10, 3304/2.9=9...(8) Peak 3323 from cnoeabs.peaks (7.85, 4.05, 58.39 ppm; 3.65 A): 1 out of 4 assignments used, quality = 1.00: * H GLU 102 + HA GLU 102 OK 100 100 - 100 - 2.9=100 H GLU 102 - HA LEU 122 OK 29 56 - 52 - 7454=11, 11410/3.0=8...(19) H ALA 88 - HA GLU 102 OK 23 81 - 28 - 3341/3.0=5, 3333/3.0=5...(8) H ALA 88 - HA LEU 122 lone 1 38 - 2 - Peak 3324 from cnoeabs.peaks (4.05, 4.05, 58.39 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA GLU 102 + HA GLU 102 OK 100 100 - 100 HA LEU 122 + HA LEU 122 OK 55 55 - 100 Peak 3325 from cnoeabs.peaks (2.08, 4.05, 58.39 ppm; 3.62 A): 3 out of 14 assignments used, quality = 1.00: * HB2 GLU 102 + HA GLU 102 OK 100 100 - 100 - 3.0=100 HB3 GLU 44 + HA GLU 102 OK 49 96 - 52 - 1411=12, 1.8/1403=8...(18) HB2 GLU 128 + HA GLU 102 OK 46 100 - 47 - 3343/3.0=8, 1.8/3326=6...(16) HB2 GLU 102 - HA LEU 122 OK 20 56 - 36 - 3334=6, 1.8/3342=6...(14) HG3 GLN 134 - HA GLU 102 OK 12 100 - 12 - 7468/3.6=3, 3343/3.0=1 HB3 LYS 39 - HA GLU 102 poor 10 98 - 10 - 3343/3.0=1, ~1152=1...(4) HB3 GLU 44 - HA LEU 122 poor 8 49 - 15 - 1411=3, 1.8/1403=3...(5) HB2 GLU 128 - HA LEU 122 lone 3 55 - 6 - 10360/7775=2 HG3 PRO 58 - HA GLU 102 lone 2 57 - 3 - HG3 GLN 134 - HA LEU 122 lone 2 56 - 3 - HB VAL 57 - HA GLU 102 lone 1 73 - 1 - HB3 LYS 39 - HA LEU 122 lone 1 52 - 1 - HG3 PRO 58 - HA LEU 122 lone 1 25 - 3 - ~7718=2 HB VAL 57 - HA LEU 122 lone 0 34 - 1 - Peak 3326 from cnoeabs.peaks (2.23, 4.05, 58.39 ppm; 3.38 A): 1 out of 14 assignments used, quality = 1.00: * HB3 GLU 102 + HA GLU 102 OK 100 100 - 100 - 3.0=100 HB3 GLU 128 - HA GLU 102 OK 40 96 - 43 - 3336/3.0=6, 1.8/3325=6...(19) HB3 GLN 104 - HA GLU 102 OK 28 81 - 35 - 3.9/7484=12, 4.4/7518=10...(6) HB3 GLN 127 - HA GLU 102 OK 28 98 - 28 - 3336/3.0=4, 3351/3.7=4...(12) HB3 LEU 96 - HA GLU 102 OK 18 81 - 22 - 7456/2.9=2, 3336/3.0=2...(12) HB3 GLU 102 - HA LEU 122 OK 17 56 - 31 - 3342=6, 1.8/3334=4...(10) HG2 GLN 68 - HA GLU 102 lone 7 99 - 7 - HB3 GLN 104 - HA LEU 122 poor 6 38 - 17 - 3.9/7484=5, ~11420=3...(5) HG2 GLU 91 - HA GLU 102 lone 6 99 - 6 - HB3 GLU 128 - HA LEU 122 lone 3 49 - 6 - 11626/3.9=1 HB3 LEU 96 - HA LEU 122 lone 2 38 - 5 - HB3 GLN 127 - HA LEU 122 lone 2 52 - 3 - HG2 GLN 68 - HA LEU 122 lone 1 54 - 2 - HG2 GLU 91 - HA LEU 122 lone 1 54 - 1 - Peak 3327 from cnoeabs.peaks (2.36, 4.05, 58.39 ppm; 3.72 A): 1 out of 10 assignments used, quality = 1.00: * HG2 GLU 102 + HA GLU 102 OK 100 100 - 100 - 3.7=98, 1.8/3356=23...(12) HG2 GLN 127 - HA GLU 102 OK 29 96 - 30 - 3345/3.0=7, 3337/3.0=6...(10) HG3 GLN 27 - HA GLU 102 OK 15 100 - 15 - 3337/3.0=3, 3345/3.0=3...(8) HG2 GLU 102 - HA LEU 122 OK 12 56 - 23 - 3349=5, 1.8/3356=5...(6) HG2 GLN 27 - HA GLU 102 OK 12 87 - 14 - 3337/3.0=2, 3345/3.0=2...(8) HB2 PRO 117 - HA GLU 102 lone 9 98 - 9 - 3337/3.0=2, 7457/2.9=2...(5) HG2 GLN 127 - HA LEU 122 lone 3 49 - 6 - 11609/4.9=3 HG3 GLN 27 - HA LEU 122 lone 1 56 - 1 - HB2 PRO 117 - HA LEU 122 lone 1 52 - 1 - HG2 GLN 27 - HA LEU 122 lone 1 42 - 1 - Peak 3328 from cnoeabs.peaks (2.52, 4.05, 58.39 ppm; 3.94 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLU 102 + HA GLU 102 OK 100 100 - 100 - 3.7=100 HG3 MET 11 - HA GLU 102 OK 28 100 - 28 - 3338/3.0=8, 3346/3.0=8...(5) HG3 GLU 102 - HA LEU 122 OK 14 56 - 25 - 3356=6, 3.0/3342=5...(6) HG3 MET 11 - HA LEU 122 lone 2 55 - 3 - Peak 3329 from cnoeabs.peaks (8.08, 4.05, 58.39 ppm; 4.10 A): 1 out of 10 assignments used, quality = 1.00: * H LEU 103 + HA GLU 102 OK 100 100 - 100 - 3.6=100 H LEU 103 - HA LEU 122 OK 35 56 - 63 - 7467=14, 7474/3.0=11...(17) HD22 ASN 85 - HA GLU 102 OK 34 100 - 34 - ~9798=8, 9805/3.0=8...(8) H ASN 120 - HA LEU 122 OK 17 46 - 37 - 7675/2.9=26, 7667/3.8=5...(4) H ALA 108 - HA GLU 102 OK 14 100 - 14 - 7459/2.9=4, 3347/3.0=2...(6) H ASN 120 - HA GLU 102 OK 10 92 - 11 - 7675/7728=3, 7459/2.9=2...(6) H ALA 109 - HA GLU 102 lone 10 100 - 9 - 7459/2.9=2, 3347/3.0=2...(5) H ALA 108 - HA LEU 122 poor 6 55 - 10 - 11486/3.9=4, 7720/2.9=3 HD22 ASN 85 - HA LEU 122 lone 4 56 - 8 - 9807/3.0=2, 7720/2.9=1 H ALA 109 - HA LEU 122 lone 2 55 - 3 - Peak 3330 from cnoeabs.peaks (7.62, 4.05, 58.39 ppm; 4.89 A): 2 out of 2 assignments used, quality = 0.83: * H VAL 105 + HA GLU 102 OK 79 100 - 79 - 7518=32, 4.0/3331=26...(8) H VAL 105 + HA LEU 122 OK 17 56 - 30 - 7518=9, 4.7/7484=9...(6) Peak 3331 from cnoeabs.peaks (2.26, 4.05, 58.39 ppm; 3.49 A): 0 out of 8 assignments used, low quality = 0.45: ! HB VAL 105 - HA GLU 102 OK 45 100 - 45 - 3465=19, 2.1/10086=13...(5) HB VAL 105 - HA LEU 122 poor 9 56 - 17 - 3465=7, 4.0/7518=4...(5) HG2 GLU 97 - HA GLU 102 lone 6 87 - 7 - ~7450=3, ~7448=1 HB2 PRO 81 - HA GLU 102 lone 2 57 - 4 - 2.3/11912=3 HG2 GLU 97 - HA LEU 122 lone 1 42 - 2 - HB2 PRO 81 - HA LEU 122 lone 1 25 - 3 - 2.3/11912=2 HB3 PRO 113 - HA GLU 102 lone 1 65 - 1 - HB3 PRO 113 - HA LEU 122 lone 0 30 - 1 - Peak 3332 from cnoeabs.peaks (4.22, 2.08, 28.58 ppm; 3.76 A): 2 out of 6 assignments used, quality = 0.57: * HA SER 99 + HB2 GLU 102 OK 51 100 - 51 - 3340/1.8=22, 3205/3.8=17...(7) HA HIS 67 + HB2 GLU 102 OK 12 100 - 12 - 3340/1.8=6, 7443/3.8=2 HB3 SER 38 - HB2 GLU 102 lone 9 92 - 9 - 3340/1.8=3, 7443/3.8=2...(4) HA SER 51 - HB2 GLU 102 lone 6 100 - 5 - 3340/1.8=3, 7443/3.8=1 HA GLU 30 - HB2 GLU 102 lone 3 73 - 4 - 3340/1.8=1 HA ALA 34 - HB2 GLU 102 lone 2 81 - 3 - 3340/1.8=1 Peak 3333 from cnoeabs.peaks (7.85, 2.08, 28.58 ppm; 3.80 A): 1 out of 2 assignments used, quality = 0.99: * H GLU 102 + HB2 GLU 102 OK 99 100 - 99 - 3.8=96, 3341/1.8=32...(15) H ALA 88 - HB2 GLU 102 OK 25 81 - 32 - ~11411=8, 3341/1.8=8...(6) Peak 3334 from cnoeabs.peaks (4.05, 2.08, 28.58 ppm; 4.07 A): 2 out of 5 assignments used, quality = 1.00: * HA GLU 102 + HB2 GLU 102 OK 100 100 - 100 - 3.0=100 HA GLU 44 + HB2 GLU 102 OK 51 99 - 51 - 1394=7, 3342/1.8=7...(18) HA LEU 122 - HB2 GLU 102 OK 41 100 - 41 - 3342/1.8=7, 7454/3.8=6...(15) HA ALA 92 - HB2 GLU 102 OK 28 98 - 28 - 3342/1.8=5, ~11319=5...(10) HA LEU 96 - HB2 GLU 102 OK 17 65 - 26 - 3342/1.8=4, ~3069=3...(14) Peak 3335 from cnoeabs.peaks (2.08, 2.08, 28.58 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 102 + HB2 GLU 102 OK 100 100 - 100 Peak 3336 from cnoeabs.peaks (2.23, 2.08, 28.58 ppm; 2.82 A): 1 out of 7 assignments used, quality = 1.00: * HB3 GLU 102 + HB2 GLU 102 OK 100 100 - 100 - 1.8=100 HB3 GLU 128 - HB2 GLU 102 OK 42 96 - 44 - 4098=10, 3351/3.0=4...(19) HB3 GLN 127 - HB2 GLU 102 OK 25 98 - 25 - 3351/3.0=3, 3.0/3337=3...(12) HB3 LEU 96 - HB2 GLU 102 OK 13 81 - 16 - ~3069=2, ~3057=1...(9) HB3 GLN 104 - HB2 GLU 102 poor 8 81 - 10 - 7456/3.8=2, 3326/3.0=2 HG2 GLN 68 - HB2 GLU 102 lone 6 99 - 5 - HG2 GLU 91 - HB2 GLU 102 lone 4 99 - 4 - Peak 3337 from cnoeabs.peaks (2.36, 2.08, 28.58 ppm; 3.33 A): 1 out of 5 assignments used, quality = 1.00: * HG2 GLU 102 + HB2 GLU 102 OK 100 100 - 100 - 3.0=100 HG2 GLN 127 - HB2 GLU 102 OK 30 96 - 32 - 3345/1.8=8, 3359/3.0=4...(12) HG3 GLN 27 - HB2 GLU 102 OK 14 100 - 13 - 3345/1.8=3, 3327/3.0=2...(5) HG2 GLN 27 - HB2 GLU 102 OK 11 87 - 12 - 3345/1.8=2, ~3345=2...(6) HB2 PRO 117 - HB2 GLU 102 lone 9 98 - 9 - 3345/1.8=2, 3359/3.0=1...(5) Peak 3338 from cnoeabs.peaks (2.52, 2.08, 28.58 ppm; 4.29 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLU 102 + HB2 GLU 102 OK 100 100 - 100 - 3.0=100 HG3 MET 11 - HB2 GLU 102 OK 41 100 - 41 - 3346/1.8=11, 3328/3.0=7...(9) Peak 3339 from cnoeabs.peaks (8.08, 2.08, 28.58 ppm; 4.12 A): 2 out of 5 assignments used, quality = 0.97: * H LEU 103 + HB2 GLU 102 OK 95 100 - 95 - 4.6=74, 3.0/3333=26...(12) HD22 ASN 85 + HB2 GLU 102 OK 45 100 - 45 - 1.7/9798=15, 9805=12...(8) H ALA 108 - HB2 GLU 102 OK 12 100 - 12 - 7459/3.8=3, 3347/1.8=3...(5) H ALA 109 - HB2 GLU 102 lone 9 100 - 8 - 3347/1.8=2, 7459/3.8=2...(5) H ASN 120 - HB2 GLU 102 lone 8 92 - 8 - 3347/1.8=2, 7459/3.8=2...(5) Peak 3340 from cnoeabs.peaks (4.22, 2.23, 28.58 ppm; 3.81 A): 2 out of 6 assignments used, quality = 0.63: * HA SER 99 + HB3 GLU 102 OK 57 100 - 57 - 3332/1.8=23, 3207=21...(7) HA HIS 67 + HB3 GLU 102 OK 15 100 - 14 - 3332/1.8=5, 7443/3.8=3...(5) HB3 SER 38 - HB3 GLU 102 lone 9 92 - 9 - 3332/1.8=4, 7443/3.8=2 HA SER 51 - HB3 GLU 102 lone 6 100 - 6 - 3332/1.8=3, 7443/3.8=2 HA GLU 30 - HB3 GLU 102 lone 3 73 - 4 - 3332/1.8=1 HA ALA 34 - HB3 GLU 102 lone 3 81 - 3 - 3332/1.8=1 Peak 3341 from cnoeabs.peaks (7.85, 2.23, 28.58 ppm; 3.62 A): 1 out of 2 assignments used, quality = 0.97: * H GLU 102 + HB3 GLU 102 OK 97 100 - 97 - 3.8=83, 3333/1.8=27...(18) H ALA 88 - HB3 GLU 102 OK 23 81 - 29 - ~11411=7, 3333/1.8=7...(6) Peak 3342 from cnoeabs.peaks (4.05, 2.23, 28.58 ppm; 3.61 A): 1 out of 5 assignments used, quality = 1.00: * HA GLU 102 + HB3 GLU 102 OK 100 100 - 100 - 3.0=100 HA GLU 44 - HB3 GLU 102 OK 35 99 - 35 - 3334/1.8=6, 3.0/3343=5...(14) HA LEU 122 - HB3 GLU 102 OK 33 100 - 33 - 3334/1.8=5, 7454/3.8=5...(13) HA ALA 92 - HB3 GLU 102 OK 26 98 - 27 - ~11319=4, 3334/1.8=4...(11) HA LEU 96 - HB3 GLU 102 OK 18 65 - 28 - 3.6/7340=3, 2.9/7326=2...(14) Peak 3343 from cnoeabs.peaks (2.08, 2.23, 28.58 ppm; 2.85 A): 1 out of 7 assignments used, quality = 1.00: * HB2 GLU 102 + HB3 GLU 102 OK 100 100 - 100 - 1.8=100 HB2 GLU 128 - HB3 GLU 102 OK 42 100 - 43 - 4091=8, 3350/3.0=4...(18) HB3 GLU 44 - HB3 GLU 102 OK 25 96 - 26 - 1411/3.0=4, 3.0/3342=3...(14) HB3 LYS 39 - HB3 GLU 102 lone 7 98 - 7 - ~1152=1 HG3 GLN 134 - HB3 GLU 102 lone 7 100 - 7 - 7468/4.6=1 HB VAL 57 - HB3 GLU 102 lone 1 73 - 1 - HG3 PRO 58 - HB3 GLU 102 lone 1 57 - 1 - Peak 3344 from cnoeabs.peaks (2.23, 2.23, 28.58 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 102 + HB3 GLU 102 OK 100 100 - 100 Peak 3345 from cnoeabs.peaks (2.36, 2.23, 28.58 ppm; 3.23 A): 1 out of 5 assignments used, quality = 1.00: * HG2 GLU 102 + HB3 GLU 102 OK 100 100 - 100 - 3.0=100 HG2 GLN 127 - HB3 GLU 102 OK 37 96 - 39 - 4062=7, 3337/1.8=6...(17) HG3 GLN 27 - HB3 GLU 102 OK 14 100 - 14 - 3337/1.8=3, 3327/3.0=2...(5) HG2 GLN 27 - HB3 GLU 102 OK 11 87 - 13 - 3337/1.8=2, ~3337=2...(6) HB2 PRO 117 - HB3 GLU 102 lone 9 98 - 9 - 3337/1.8=2, 3359/3.0=1...(4) Peak 3346 from cnoeabs.peaks (2.52, 2.23, 28.58 ppm; 4.57 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 102 + HB3 GLU 102 OK 100 100 - 100 - 3.0=100 HG3 MET 11 + HB3 GLU 102 OK 45 100 - 45 - 3338/1.8=12, 3328/3.0=7...(9) Peak 3347 from cnoeabs.peaks (8.08, 2.23, 28.58 ppm; 4.31 A): 1 out of 5 assignments used, quality = 0.98: * H LEU 103 + HB3 GLU 102 OK 98 100 - 98 - 4.6=84, 3.0/3341=30...(15) HD22 ASN 85 - HB3 GLU 102 OK 38 100 - 38 - ~9798=12, 9805/1.8=11...(6) H ALA 108 - HB3 GLU 102 OK 13 100 - 13 - 7459/3.8=3, 3339/1.8=3...(5) H ALA 109 - HB3 GLU 102 lone 10 100 - 9 - 3339/1.8=2, 7459/3.8=2...(5) H ASN 120 - HB3 GLU 102 lone 8 92 - 9 - 3339/1.8=2, 7459/3.8=2...(5) Peak 3348 from cnoeabs.peaks (7.85, 2.36, 34.65 ppm; 3.79 A): 2 out of 2 assignments used, quality = 0.93: * H GLU 102 + HG2 GLU 102 OK 91 100 - 91 - 5.0=44, 7458/1.8=34...(15) H ALA 88 + HG2 GLU 102 OK 24 81 - 30 - ~11411=10, 3355/1.8=8...(5) Peak 3349 from cnoeabs.peaks (4.05, 2.36, 34.65 ppm; 3.34 A): 2 out of 5 assignments used, quality = 0.93: * HA GLU 102 + HG2 GLU 102 OK 91 100 - 91 - 3.7=71, 3356/1.8=19...(12) HA GLU 44 + HG2 GLU 102 OK 22 99 - 22 - 3356/1.8=5, 3334/3.0=4...(7) HA ALA 92 - HG2 GLU 102 OK 18 98 - 18 - 2.1/11319=6, 3356/1.8=4...(5) HA LEU 122 - HG2 GLU 102 OK 17 100 - 17 - 3356/1.8=4, 3342/3.0=4...(5) HA LEU 96 - HG2 GLU 102 poor 8 65 - 13 - 3342/3.0=2, 3356/1.8=2...(6) Peak 3350 from cnoeabs.peaks (2.08, 2.36, 34.65 ppm; 3.17 A): 1 out of 7 assignments used, quality = 1.00: * HB2 GLU 102 + HG2 GLU 102 OK 100 100 - 100 - 3.0=100 HB2 GLU 128 - HG2 GLU 102 OK 39 100 - 39 - 1.8/3351=7, 3357/1.8=7...(13) HB3 GLU 44 - HG2 GLU 102 OK 23 96 - 24 - 3357/1.8=5, 1411/3.7=4...(10) HB3 LYS 39 - HG2 GLU 102 lone 7 98 - 7 - 3357/1.8=1, 3343/3.0=1 HG3 GLN 134 - HG2 GLU 102 lone 6 100 - 6 - 3357/1.8=1, 3343/3.0=1 HB VAL 57 - HG2 GLU 102 lone 1 73 - 1 - HG3 PRO 58 - HG2 GLU 102 lone 1 57 - 1 - Peak 3351 from cnoeabs.peaks (2.23, 2.36, 34.65 ppm; 2.78 A): 3 out of 7 assignments used, quality = 0.92: * HB3 GLU 102 + HG2 GLU 102 OK 84 100 - 84 - 3.0=78, 3.0/3349=10...(5) HB3 GLU 128 + HG2 GLU 102 OK 29 96 - 31 - 1.8/3350=6, 3358/1.8=5...(11) HB3 GLN 127 + HG2 GLU 102 OK 25 98 - 25 - 4054=3, 3358/1.8=3...(12) HB3 LEU 96 - HG2 GLU 102 poor 9 81 - 11 - 3358/1.8=2, 3336/3.0=1, ~3069=1 HB3 GLN 104 - HG2 GLU 102 lone 5 81 - 7 - 3326/3.7=1, 7456/5.0=1 HG2 GLN 68 - HG2 GLU 102 lone 4 99 - 4 - HG2 GLU 91 - HG2 GLU 102 lone 3 99 - 3 - Peak 3352 from cnoeabs.peaks (2.36, 2.36, 34.65 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 102 + HG2 GLU 102 OK 100 100 - 100 Peak 3353 from cnoeabs.peaks (2.52, 2.36, 34.65 ppm; 2.59 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLU 102 + HG2 GLU 102 OK 100 100 - 100 - 1.8=100 HG3 MET 11 - HG2 GLU 102 OK 15 100 - 15 - 3338/3.0=3, 3346/3.0=3...(7) Peak 3354 from cnoeabs.peaks (8.08, 2.36, 34.65 ppm; 5.27 A): 2 out of 5 assignments used, quality = 0.98: * H LEU 103 + HG2 GLU 102 OK 97 100 - 97 - 3.0/3348=36, 7471/1.8=34...(14) HD22 ASN 85 + HG2 GLU 102 OK 45 100 - 46 - ~9798=14, 9805/3.0=12...(6) H ALA 108 - HG2 GLU 102 OK 17 100 - 16 - 7459/5.0=4, 3361/1.8=4...(5) H ALA 109 - HG2 GLU 102 OK 12 100 - 12 - 3361/1.8=3, 3347/3.0=2...(5) H ASN 120 - HG2 GLU 102 OK 12 92 - 13 - 3361/1.8=2, 3347/3.0=2...(5) Peak 3355 from cnoeabs.peaks (7.85, 2.52, 34.65 ppm; 3.89 A): 1 out of 2 assignments used, quality = 0.93: * H GLU 102 + HG3 GLU 102 OK 93 100 - 94 - 5.0=48, 3348/1.8=31...(17) H ALA 88 - HG3 GLU 102 OK 27 81 - 34 - 2.9/11411=14, 3348/1.8=8...(5) Peak 3356 from cnoeabs.peaks (4.05, 2.52, 34.65 ppm; 3.47 A): 1 out of 5 assignments used, quality = 0.94: * HA GLU 102 + HG3 GLU 102 OK 94 100 - 94 - 3.7=80, 2.9/7458=22...(12) HA GLU 44 - HG3 GLU 102 OK 24 99 - 24 - 3349/1.8=5, 3334/3.0=5...(8) HA LEU 122 - HG3 GLU 102 OK 19 100 - 19 - 3349/1.8=4, 3342/3.0=4...(6) HA ALA 92 - HG3 GLU 102 OK 18 98 - 18 - ~11319=5, 3349/1.8=4...(6) HA LEU 96 - HG3 GLU 102 poor 9 65 - 14 - 3342/3.0=2, 3349/1.8=2...(7) Peak 3357 from cnoeabs.peaks (2.08, 2.52, 34.65 ppm; 3.33 A): 1 out of 7 assignments used, quality = 1.00: * HB2 GLU 102 + HG3 GLU 102 OK 100 100 - 100 - 3.0=100 HB2 GLU 128 - HG3 GLU 102 OK 39 100 - 40 - 3350/1.8=8, 1.8/3358=7...(14) HB3 GLU 44 - HG3 GLU 102 OK 25 96 - 27 - 3350/1.8=5, 1411/3.7=5...(10) HB3 LYS 39 - HG3 GLU 102 lone 7 98 - 7 - 3350/1.8=1, 3343/3.0=1 HG3 GLN 134 - HG3 GLU 102 lone 7 100 - 7 - 3350/1.8=1, 3343/3.0=1 HG3 PRO 58 - HG3 GLU 102 lone 1 57 - 2 - HB VAL 57 - HG3 GLU 102 lone 1 73 - 1 - Peak 3358 from cnoeabs.peaks (2.23, 2.52, 34.65 ppm; 3.49 A): 1 out of 7 assignments used, quality = 1.00: * HB3 GLU 102 + HG3 GLU 102 OK 100 100 - 100 - 3.0=100 HB3 GLU 128 - HG3 GLU 102 OK 43 96 - 46 - 1.8/3357=8, 3351/1.8=8...(15) HB3 GLN 127 - HG3 GLU 102 OK 31 98 - 31 - 3351/1.8=7, 3.0/3359=4...(14) HB3 LEU 96 - HG3 GLU 102 OK 15 81 - 18 - 3351/1.8=2, ~3069=2...(10) HB3 GLN 104 - HG3 GLU 102 poor 9 81 - 11 - 3326/3.7=2, 7456/5.0=2...(4) HG2 GLN 68 - HG3 GLU 102 lone 6 99 - 6 - 3351/1.8=1 HG2 GLU 91 - HG3 GLU 102 lone 4 99 - 4 - Peak 3359 from cnoeabs.peaks (2.36, 2.52, 34.65 ppm; 2.64 A): 1 out of 5 assignments used, quality = 1.00: * HG2 GLU 102 + HG3 GLU 102 OK 100 100 - 100 - 1.8=100 HG2 GLN 127 - HG3 GLU 102 OK 17 96 - 17 - 3345/3.0=4, 3337/3.0=3...(9) HG3 GLN 27 - HG3 GLU 102 lone 7 100 - 7 - 3345/3.0=1, 3337/3.0=1 HG2 GLN 27 - HG3 GLU 102 lone 5 87 - 6 - 3345/3.0=1, 3337/3.0=1 HB2 PRO 117 - HG3 GLU 102 lone 5 98 - 5 - Peak 3360 from cnoeabs.peaks (2.52, 2.52, 34.65 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 102 + HG3 GLU 102 OK 100 100 - 100 Peak 3361 from cnoeabs.peaks (8.08, 2.52, 34.65 ppm; 5.41 A): 2 out of 5 assignments used, quality = 0.99: * H LEU 103 + HG3 GLU 102 OK 97 100 - 97 - 3.0/7458=39, 7471=37...(15) HD22 ASN 85 + HG3 GLU 102 OK 47 100 - 47 - ~9798=14, 9805/3.0=12...(6) H ALA 108 - HG3 GLU 102 OK 17 100 - 17 - 3354/1.8=4, 7459/5.0=4...(5) H ALA 109 - HG3 GLU 102 OK 13 100 - 13 - 3354/1.8=3, 3347/3.0=3...(5) H ASN 120 - HG3 GLU 102 OK 11 92 - 12 - 3354/1.8=3, 3347/3.0=2...(5) Peak 3362 from cnoeabs.peaks (8.08, 4.02, 57.03 ppm; 4.14 A): 1 out of 5 assignments used, quality = 1.00: * H LEU 103 + HA LEU 103 OK 100 100 - 100 - 3.0=100 H ALA 108 - HA LEU 103 OK 29 100 - 29 - 11486/4.1=8, 3371/3.0=5...(6) HD22 ASN 85 - HA LEU 103 OK 25 100 - 25 - 7485/3.6=4, 9807/3.0=4...(10) H ASN 120 - HA LEU 103 OK 24 92 - 26 - 3396/4.1=4, 3371/3.0=3...(10) H ALA 109 - HA LEU 103 OK 12 100 - 12 - 3371/3.0=2, 3396/4.1=2...(6) Peak 3363 from cnoeabs.peaks (4.02, 4.02, 57.03 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 103 + HA LEU 103 OK 100 100 - 100 Peak 3364 from cnoeabs.peaks (1.58, 4.02, 57.03 ppm; 3.70 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LEU 103 + HA LEU 103 OK 100 100 - 100 - 3.0=100 HG2 ARG 23 - HA LEU 103 OK 25 99 - 24 - 7473/3.0=4, 3398/4.1=3...(9) HG LEU 49 - HA LEU 103 OK 22 92 - 24 - 7487/3.6=4, 7473/3.0=4...(9) Peak 3365 from cnoeabs.peaks (1.79, 4.02, 57.03 ppm; 4.10 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LEU 103 + HA LEU 103 OK 100 100 - 100 - 3.0=100 HB3 LEU 122 + HA LEU 103 OK 84 100 - 84 - 3374/3.0=13...(30) HB3 LEU 98 - HA LEU 103 OK 31 73 - 42 - 1.8/3158=7, 3.1/11373=5...(18) HB2 LYS 86 - HA LEU 103 OK 27 99 - 27 - 3374/3.0=4, ~2639=3...(11) HB3 LEU 123 - HA LEU 103 lone 1 31 - 4 - 3.9/7737=1 Peak 3366 from cnoeabs.peaks (1.56, 4.02, 57.03 ppm; 3.80 A): 2 out of 2 assignments used, quality = 0.99: * HG LEU 103 + HA LEU 103 OK 97 100 - 97 - 4.3=71, 2.1/3368=32...(15) HG13 ILE 37 + HA LEU 103 OK 65 92 - 71 - 3375/3.0=13, 7475/3.0=11...(17) Peak 3367 from cnoeabs.peaks (0.78, 4.02, 57.03 ppm; 3.30 A): 3 out of 5 assignments used, quality = 0.98: * QD1 LEU 103 + HA LEU 103 OK 91 100 - 91 - 4.1=54, 2.1/3368=25...(18) QD1 ILE 37 + HA LEU 103 OK 54 98 - 55 - 2.1/3366=11, 1113=8...(16) QD2 LEU 122 + HA LEU 103 OK 51 92 - 56 - 2.1/11702=10, 3903/3.0=7...(20) QG1 VAL 63 - HA LEU 103 OK 30 100 - 30 - 11015/4.3=8, 7490/3.6=4...(9) QD1 ILE 32 - HA LEU 103 lone 6 92 - 7 - 7490/3.6=1 Peak 3368 from cnoeabs.peaks (0.74, 4.02, 57.03 ppm; 3.56 A): 1 out of 4 assignments used, quality = 0.94: * QD2 LEU 103 + HA LEU 103 OK 94 100 - 94 - 4.1=65, 7477/3.0=20...(17) QD2 LEU 96 - HA LEU 103 poor 9 73 - 12 - 7477/3.0=2, 3377/3.0=2...(5) HG12 ILE 129 - HA LEU 103 lone 4 65 - 6 - 7477/3.0=2, 3377/3.0=1 QG1 VAL 93 - HA LEU 103 lone 3 65 - 4 - Peak 3369 from cnoeabs.peaks (7.90, 4.02, 57.03 ppm; 4.36 A): 2 out of 4 assignments used, quality = 1.00: * H GLN 104 + HA LEU 103 OK 100 100 - 100 - 3.6=100 H SER 106 + HA LEU 103 OK 65 99 - 66 - 4.3/11419=25...(8) H ALA 41 - HA LEU 103 OK 24 92 - 26 - 10934=4, 3378/3.0=4...(8) H THR 115 - HA LEU 103 lone 6 73 - 7 - 7478/3.0=1, 3378/3.0=1 Peak 3370 from cnoeabs.peaks (3.96, 1.58, 41.89 ppm; 4.54 A): 5 out of 8 assignments used, quality = 0.89: * HA LEU 100 + HB2 LEU 103 OK 62 100 - 62 - 3230/1.8=25, 3229=24...(7) HB2 SER 106 + HB2 LEU 103 OK 38 92 - 41 - ~11468=13, ~10096=9...(7) HB3 SER 107 + HB2 LEU 103 OK 32 100 - 33 - 10106/3.2=7, 7463/3.9=7...(7) HD3 PRO 117 + HB2 LEU 103 OK 20 65 - 31 - ~11423=21, ~11716=4...(6) HA THR 65 + HB2 LEU 103 OK 17 65 - 26 - ~11025=10, ~9431=5...(6) HA GLN 127 - HB2 LEU 103 lone 7 73 - 10 - 7463/3.9=2, 3379/1.8=1...(4) HA2 GLY 17 - HB2 LEU 103 lone 5 100 - 5 - 7463/3.9=1 HA3 GLY 17 - HB2 LEU 103 lone 5 100 - 5 - 7463/3.9=1 Peak 3371 from cnoeabs.peaks (8.08, 1.58, 41.89 ppm; 4.02 A): 1 out of 5 assignments used, quality = 1.00: * H LEU 103 + HB2 LEU 103 OK 100 100 - 100 - 3.9=100 H ALA 108 - HB2 LEU 103 OK 32 100 - 32 - 11486/3.2=9, 3388/3.0=5...(7) HD22 ASN 85 - HB2 LEU 103 OK 21 100 - 21 - 9807/1.8=4, 3362/3.0=4...(7) H ASN 120 - HB2 LEU 103 OK 19 92 - 20 - 3396/3.2=4, 3362/3.0=4...(7) H ALA 109 - HB2 LEU 103 OK 13 100 - 12 - 3396/3.2=2, 3362/3.0=2...(6) Peak 3372 from cnoeabs.peaks (4.02, 1.58, 41.89 ppm; 3.83 A): 2 out of 7 assignments used, quality = 1.00: * HA LEU 103 + HB2 LEU 103 OK 100 100 - 100 - 3.0=100 HA ILE 37 + HB2 LEU 103 OK 59 96 - 62 - ~10913=11, 4.0/3375=10...(18) HA LEU 119 - HB2 LEU 103 OK 16 65 - 25 - ~11426=5, 3764/1.8=4...(11) HB2 SER 38 - HB2 LEU 103 OK 14 99 - 14 - 3389/3.0=2, 3397/3.2=2...(7) HA LYS 95 - HB2 LEU 103 OK 13 98 - 13 - 2963/1.8=4, 3405/3.1=2...(5) HA ARG 135 - HB2 LEU 103 lone 8 100 - 8 - 3381/1.8=1 HA SER 60 - HB2 LEU 103 lone 2 81 - 3 - Peak 3373 from cnoeabs.peaks (1.58, 1.58, 41.89 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 103 + HB2 LEU 103 OK 100 100 - 100 Peak 3374 from cnoeabs.peaks (1.79, 1.58, 41.89 ppm; 3.50 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LEU 103 + HB2 LEU 103 OK 100 100 - 100 - 1.8=100 HB3 LEU 122 + HB2 LEU 103 OK 83 100 - 83 - 3382=16, 3391/3.0=11...(35) HB2 LYS 86 - HB2 LEU 103 OK 23 99 - 23 - ~2639=4, 3399/3.2=3...(10) HB3 LEU 98 - HB2 LEU 103 OK 16 73 - 22 - 3167/3.0=3, ~3158=3...(13) HB3 LEU 123 - HB2 LEU 103 lone 1 31 - 3 - ~11571=1 Peak 3375 from cnoeabs.peaks (1.56, 1.58, 41.89 ppm; 2.67 A): 2 out of 2 assignments used, quality = 0.92: * HG LEU 103 + HB2 LEU 103 OK 85 100 - 85 - 3.0=71, 2.1/3398=19...(11) HG13 ILE 37 + HB2 LEU 103 OK 44 92 - 48 - 3400/3.2=6, 3408/3.1=6...(22) Peak 3376 from cnoeabs.peaks (0.78, 1.58, 41.89 ppm; 3.32 A): 4 out of 5 assignments used, quality = 1.00: * QD1 LEU 103 + HB2 LEU 103 OK 100 100 - 100 - 3.2=100 QD1 ILE 37 + HB2 LEU 103 OK 64 98 - 65 - 2.1/3375=14, ~10913=8...(24) QD2 LEU 122 + HB2 LEU 103 OK 63 92 - 69 - 3903/1.8=10, 3.1/3374=9...(29) QG1 VAL 63 + HB2 LEU 103 OK 45 100 - 45 - 11015/3.0=9, ~11720=7...(13) QD1 ILE 32 - HB2 LEU 103 lone 7 92 - 8 - Peak 3377 from cnoeabs.peaks (0.74, 1.58, 41.89 ppm; 3.42 A): 1 out of 4 assignments used, quality = 1.00: * QD2 LEU 103 + HB2 LEU 103 OK 100 100 - 100 - 3.1=100 QD2 LEU 96 - HB2 LEU 103 poor 8 73 - 11 - 3368/3.0=2, 7477/3.9=2...(6) HG12 ILE 129 - HB2 LEU 103 lone 4 65 - 6 - 7477/3.9=2, 3368/3.0=1 QG1 VAL 93 - HB2 LEU 103 lone 2 65 - 4 - Peak 3378 from cnoeabs.peaks (7.90, 1.58, 41.89 ppm; 4.44 A): 2 out of 4 assignments used, quality = 0.99: * H GLN 104 + HB2 LEU 103 OK 99 100 - 99 - 4.6=89, 7491/3.1=31...(13) H SER 106 + HB2 LEU 103 OK 60 99 - 60 - ~11468=12, 11450/3.9=12...(10) H ALA 41 - HB2 LEU 103 OK 24 92 - 26 - 3395/3.0=4, 3403/3.2=4...(8) H THR 115 - HB2 LEU 103 lone 6 73 - 8 - 11416/3.1=1, 3403/3.2=1 Peak 3379 from cnoeabs.peaks (3.96, 1.79, 41.89 ppm; 4.17 A): 7 out of 16 assignments used, quality = 0.90: * HA LEU 100 + HB3 LEU 103 OK 57 100 - 57 - 3230=27, 3229/1.8=17...(6) HB2 SER 106 + HB3 LEU 103 OK 32 92 - 35 - ~11468=10, ~10096=8...(6) HA LEU 100 + HB3 LEU 122 OK 29 91 - 32 - 3230=14, 2.9/11730=7...(8) HB3 SER 107 + HB3 LEU 103 OK 25 100 - 25 - 10106/3.2=6, 3370/1.8=6...(5) HD3 PRO 117 + HB3 LEU 103 OK 18 65 - 27 - ~11423=18, 3370/1.8=4...(5) HA THR 65 + HB3 LEU 103 OK 14 65 - 21 - ~11025=8, ~9431=4...(5) HB3 SER 107 + HB3 LEU 122 OK 12 91 - 13 - ~10111=4, 10106/3.1=2 HA GLN 127 - HB3 LEU 103 lone 7 73 - 9 - 7463/3.9=2...(4) HA2 GLY 17 - HB3 LEU 103 lone 5 100 - 5 - HA3 GLY 17 - HB3 LEU 103 lone 5 100 - 5 - HB2 SER 106 - HB3 LEU 122 lone 4 79 - 5 - 4.0/3387=1, 7481/7488=1 HA THR 65 - HB3 LEU 122 lone 2 54 - 4 - ~9416=1 HA GLN 127 - HB3 LEU 122 lone 2 61 - 3 - HD3 PRO 117 - HB3 LEU 122 lone 2 54 - 3 - HA2 GLY 17 - HB3 LEU 122 lone 2 91 - 2 - HA3 GLY 17 - HB3 LEU 122 lone 2 91 - 2 - Peak 3380 from cnoeabs.peaks (8.08, 1.79, 41.89 ppm; 3.80 A): 2 out of 10 assignments used, quality = 1.00: * H LEU 103 + HB3 LEU 103 OK 99 100 - 99 - 3.9=91, 7473/1.8=31...(19) H LEU 103 + HB3 LEU 122 OK 65 91 - 72 - 7474=16, 3.9/3374=9...(20) H ASN 120 - HB3 LEU 122 OK 32 79 - 40 - 7675/3.5=19, 3.6/3764=12...(5) H ALA 108 - HB3 LEU 103 OK 30 100 - 30 - 11486/3.2=8, 3371/1.8=6...(7) H ASN 120 - HB3 LEU 103 OK 24 92 - 26 - 3.6/3764=7, 3396/3.2=4...(8) HD22 ASN 85 - HB3 LEU 103 OK 23 100 - 23 - 3371/1.8=4, 3362/3.0=3...(9) H ALA 108 - HB3 LEU 122 OK 14 91 - 15 - 11486/3.1=4, 7720/3.5=2...(4) H ALA 109 - HB3 LEU 103 OK 12 100 - 12 - 3371/1.8=2, 3396/3.2=2...(6) HD22 ASN 85 - HB3 LEU 122 poor 10 91 - 11 - 9807=1 H ALA 109 - HB3 LEU 122 lone 4 91 - 4 - Peak 3381 from cnoeabs.peaks (4.02, 1.79, 41.89 ppm; 3.51 A): 3 out of 14 assignments used, quality = 1.00: * HA LEU 103 + HB3 LEU 103 OK 100 100 - 100 - 3.0=100 HA LEU 103 + HB3 LEU 122 OK 67 91 - 74 - 3365=11, 3.0/3374=10...(30) HA ILE 37 + HB3 LEU 103 OK 53 96 - 56 - 3.2/10913=12, 3372/1.8=9...(18) HA LEU 119 - HB3 LEU 122 OK 18 54 - 34 - 3764=8, 3762/3.5=7...(11) HA LEU 119 - HB3 LEU 103 OK 16 65 - 25 - 3764=4, ~11426=4...(11) HB2 SER 38 - HB3 LEU 103 OK 13 99 - 13 - 3372/1.8=2, 3389/3.0=2...(8) HA ILE 37 - HB3 LEU 122 OK 13 83 - 16 - 3.2/10913=3, 3397/3399=1...(8) HA LYS 95 - HB3 LEU 103 OK 13 98 - 13 - 2963=2, 3372/1.8=2...(6) HA ARG 135 - HB3 LEU 103 lone 8 100 - 7 - 3372/1.8=1 HA LYS 95 - HB3 LEU 122 lone 6 87 - 6 - HB2 SER 38 - HB3 LEU 122 lone 3 89 - 3 - HA ARG 135 - HB3 LEU 122 lone 2 91 - 2 - HA SER 60 - HB3 LEU 103 lone 2 81 - 3 - HA SER 60 - HB3 LEU 122 lone 1 68 - 1 - Peak 3382 from cnoeabs.peaks (1.58, 1.79, 41.89 ppm; 3.21 A): 2 out of 6 assignments used, quality = 1.00: * HB2 LEU 103 + HB3 LEU 103 OK 100 100 - 100 - 1.8=100 HB2 LEU 103 + HB3 LEU 122 OK 69 91 - 76 - 3374=14, 3.0/3391=9...(34) HG2 ARG 23 - HB3 LEU 103 OK 23 99 - 23 - 3364/3.0=4, 3390/3.0=4...(9) HG LEU 49 - HB3 LEU 103 OK 22 92 - 24 - 3406/3.1=4, 3390/3.0=4...(11) HG LEU 49 - HB3 LEU 122 lone 4 79 - 5 - HG2 ARG 23 - HB3 LEU 122 lone 3 89 - 4 - Peak 3383 from cnoeabs.peaks (1.79, 1.79, 41.89 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 LEU 103 + HB3 LEU 103 OK 100 100 - 100 HB3 LEU 122 + HB3 LEU 122 OK 91 91 - 100 Peak 3384 from cnoeabs.peaks (1.56, 1.79, 41.89 ppm; 3.34 A): 3 out of 4 assignments used, quality = 1.00: * HG LEU 103 + HB3 LEU 103 OK 100 100 - 100 - 3.0=100 HG LEU 103 + HB3 LEU 122 OK 68 91 - 75 - 3391=18, 2.1/3386=11...(30) HG13 ILE 37 + HB3 LEU 103 OK 64 92 - 70 - 3375/1.8=15...(24) HG13 ILE 37 - HB3 LEU 122 OK 15 79 - 18 - 3.2/10913=3, 11570/4.3=2...(9) Peak 3385 from cnoeabs.peaks (0.78, 1.79, 41.89 ppm; 3.23 A): 5 out of 10 assignments used, quality = 1.00: * QD1 LEU 103 + HB3 LEU 103 OK 100 100 - 100 - 3.2=100 QD2 LEU 122 + HB3 LEU 122 OK 79 79 - 100 - 3.1=100 QD1 LEU 103 + HB3 LEU 122 OK 67 91 - 74 - 3399=15, 2.1/3391=12...(27) QD2 LEU 122 + HB3 LEU 103 OK 66 92 - 72 - 3903=12, 2.1/3887=11...(27) QD1 ILE 37 + HB3 LEU 103 OK 62 98 - 63 - 3.0/10913=11, 2.1/3384=8...(24) QG1 VAL 63 - HB3 LEU 103 OK 44 100 - 44 - 11015/3.0=9, ~11720=6...(13) QD1 ILE 37 - HB3 LEU 122 OK 15 87 - 17 - 3.0/10913=3, 2.1/3384=2...(6) QG1 VAL 63 - HB3 LEU 122 OK 11 91 - 12 - 11015/3391=1, 3873/1.8=1 QD1 ILE 32 - HB3 LEU 103 lone 7 92 - 8 - QD1 ILE 32 - HB3 LEU 122 lone 1 79 - 2 - Peak 3386 from cnoeabs.peaks (0.74, 1.79, 41.89 ppm; 3.42 A): 2 out of 8 assignments used, quality = 1.00: * QD2 LEU 103 + HB3 LEU 103 OK 100 100 - 100 - 3.1=100 QD2 LEU 103 + HB3 LEU 122 OK 69 91 - 76 - 3407=16, 2.1/3391=13...(30) QD2 LEU 96 - HB3 LEU 103 poor 9 73 - 12 - 3377/1.8=3, 3368/3.0=2...(6) HG12 ILE 129 - HB3 LEU 103 lone 4 65 - 7 - 7477/3.9=2, 3377/1.8=1 QD2 LEU 96 - HB3 LEU 122 lone 3 61 - 5 - QG1 VAL 93 - HB3 LEU 103 lone 3 65 - 4 - QG1 VAL 93 - HB3 LEU 122 lone 1 54 - 2 - HG12 ILE 129 - HB3 LEU 122 lone 1 54 - 1 - Peak 3387 from cnoeabs.peaks (7.90, 1.79, 41.89 ppm; 4.60 A): 3 out of 8 assignments used, quality = 1.00: * H GLN 104 + HB3 LEU 103 OK 99 100 - 99 - 4.6=99 H GLN 104 + HB3 LEU 122 OK 67 91 - 74 - 7488=17, 3.0/11431=14...(15) H SER 106 + HB3 LEU 103 OK 64 99 - 64 - ~11468=13, 11450/3.9=13...(12) H ALA 41 - HB3 LEU 103 OK 27 92 - 29 - 3378/1.8=5, 3395/3.0=4...(8) H SER 106 - HB3 LEU 122 OK 16 89 - 18 - 11469/3.1=2, 3403/3399=2...(10) H THR 115 - HB3 LEU 103 lone 7 73 - 10 - 3378/1.8=1, 11416/3.1=1...(6) H ALA 41 - HB3 LEU 122 lone 5 79 - 6 - H THR 115 - HB3 LEU 122 lone 2 61 - 3 - Peak 3388 from cnoeabs.peaks (8.08, 1.56, 26.63 ppm; 4.27 A): 1 out of 5 assignments used, quality = 0.97: * H LEU 103 + HG LEU 103 OK 97 100 - 97 - 5.0=63, 7477/2.1=32...(17) H ALA 108 - HG LEU 103 OK 36 100 - 36 - 11486/2.1=12...(7) HD22 ASN 85 - HG LEU 103 OK 20 100 - 20 - 9807/3.0=4, 11415/2.1=4...(6) H ASN 120 - HG LEU 103 OK 20 92 - 21 - 3396/2.1=6, 11415/2.1=3...(6) H ALA 109 - HG LEU 103 OK 12 100 - 12 - 3396/2.1=3, 3371/3.0=2...(5) Peak 3389 from cnoeabs.peaks (4.02, 1.56, 26.63 ppm; 3.91 A): 2 out of 7 assignments used, quality = 0.99: * HA LEU 103 + HG LEU 103 OK 98 100 - 98 - 4.3=77, 3368/2.1=33...(15) HA ILE 37 + HG LEU 103 OK 66 96 - 70 - 3397/2.1=12, 3405/2.1=10...(17) HB2 SER 38 - HG LEU 103 OK 17 99 - 17 - 3.9/6425=4, 3397/2.1=3...(6) HA LEU 119 - HG LEU 103 OK 15 65 - 23 - ~11426=6, 3764/3.0=4...(8) HA LYS 95 - HG LEU 103 OK 12 98 - 12 - 2963/3.0=3, 3405/2.1=2...(4) HA ARG 135 - HG LEU 103 lone 6 100 - 6 - 3372/3.0=1, 3405/2.1=1 HA SER 60 - HG LEU 103 lone 2 81 - 3 - Peak 3390 from cnoeabs.peaks (1.58, 1.56, 26.63 ppm; 2.50 A): 3 out of 3 assignments used, quality = 0.82: * HB2 LEU 103 + HG LEU 103 OK 77 100 - 77 - 3.0=58, 3398/2.1=17...(11) HG LEU 49 + HG LEU 103 OK 11 92 - 12 - 3398/2.1=3, 3406/2.1=3...(5) HG2 ARG 23 + HG LEU 103 OK 11 99 - 11 - 3398/2.1=3, 3406/2.1=3...(4) Peak 3391 from cnoeabs.peaks (1.79, 1.56, 26.63 ppm; 3.17 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LEU 103 + HG LEU 103 OK 100 100 - 100 - 3.0=100 HB3 LEU 122 + HG LEU 103 OK 69 100 - 69 - 3384=12, 3386/2.1=10...(29) HB2 LYS 86 - HG LEU 103 OK 16 99 - 16 - 3399/2.1=3, 3407/2.1=3...(9) HB3 LEU 98 - HG LEU 103 poor 8 73 - 10 - 3167/4.3=2, 3374/3.0=2...(6) HB3 LEU 123 - HG LEU 103 lone 1 31 - 3 - ~11571=1, 3.9/11570=1 Peak 3392 from cnoeabs.peaks (1.56, 1.56, 26.63 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 103 + HG LEU 103 OK 100 100 - 100 Peak 3393 from cnoeabs.peaks (0.78, 1.56, 26.63 ppm; 3.02 A): 3 out of 5 assignments used, quality = 1.00: * QD1 LEU 103 + HG LEU 103 OK 100 100 - 100 - 2.1=100 QD1 ILE 37 + HG LEU 103 OK 59 98 - 60 - 1117=11, 2.1/1101=7...(20) QD2 LEU 122 + HG LEU 103 OK 49 92 - 54 - 3.1/3391=8, 3903/3.0=6...(23) QG1 VAL 63 - HG LEU 103 OK 43 100 - 43 - 11015=8, ~11720=7...(14) QD1 ILE 32 - HG LEU 103 lone 6 92 - 7 - Peak 3394 from cnoeabs.peaks (0.74, 1.56, 26.63 ppm; 3.24 A): 1 out of 4 assignments used, quality = 1.00: * QD2 LEU 103 + HG LEU 103 OK 100 100 - 100 - 2.1=100 QD2 LEU 96 - HG LEU 103 lone 7 73 - 9 - 3377/3.0=2, 3402/2.1=1...(5) HG12 ILE 129 - HG LEU 103 lone 3 65 - 5 - 7477/5.0=1 QG1 VAL 93 - HG LEU 103 lone 2 65 - 3 - Peak 3395 from cnoeabs.peaks (7.90, 1.56, 26.63 ppm; 4.49 A): 2 out of 4 assignments used, quality = 0.96: * H GLN 104 + HG LEU 103 OK 90 100 - 90 - 7491/2.1=38, 7489=34...(10) H SER 106 + HG LEU 103 OK 56 99 - 57 - ~11468=15, 3403/2.1=14...(8) H ALA 41 - HG LEU 103 OK 23 92 - 24 - 3403/2.1=5, 11416/2.1=5...(7) H THR 115 - HG LEU 103 lone 6 73 - 7 - 11416/2.1=2, 3403/2.1=1 Peak 3396 from cnoeabs.peaks (8.08, 0.78, 24.12 ppm; 3.89 A): 2 out of 5 assignments used, quality = 0.97: * H LEU 103 + QD1 LEU 103 OK 95 100 - 95 - 4.8=52, 7477/2.1=28...(22) H ALA 108 + QD1 LEU 103 OK 37 100 - 37 - 11486=8, 11482/11424=7...(8) H ASN 120 - QD1 LEU 103 OK 28 92 - 31 - 3.8/11426=7...(11) HD22 ASN 85 - QD1 LEU 103 OK 19 100 - 19 - 9807/3.2=3, 11415/2.1=3...(6) H ALA 109 - QD1 LEU 103 OK 15 100 - 14 - 4.6/11486=5, 3388/2.1=2...(6) Peak 3397 from cnoeabs.peaks (4.02, 0.78, 24.12 ppm; 3.14 A): 2 out of 7 assignments used, quality = 0.94: * HA LEU 103 + QD1 LEU 103 OK 87 100 - 87 - 4.1=46, 3368/2.1=23...(17) HA ILE 37 + QD1 LEU 103 OK 52 96 - 55 - 1078=8, 3405/2.1=7...(16) HA LEU 119 - QD1 LEU 103 OK 13 65 - 21 - 2.8/11426=4, 4.9/11547=4...(8) HB2 SER 38 - QD1 LEU 103 OK 11 99 - 12 - 3.9/6426=3, 3389/2.1=2...(4) HA LYS 95 - QD1 LEU 103 lone 9 98 - 9 - 2963/3.2=2, 3405/2.1=1...(4) HA ARG 135 - QD1 LEU 103 lone 4 100 - 4 - HA SER 60 - QD1 LEU 103 lone 3 81 - 3 - Peak 3398 from cnoeabs.peaks (1.58, 0.78, 24.12 ppm; 2.87 A): 3 out of 3 assignments used, quality = 0.92: * HB2 LEU 103 + QD1 LEU 103 OK 89 100 - 89 - 3.2=73, 3390/2.1=27...(16) HG2 ARG 23 + QD1 LEU 103 OK 16 99 - 15 - 3390/2.1=4, 3406/2.1=4...(5) HG LEU 49 + QD1 LEU 103 OK 15 92 - 16 - 3390/2.1=4, 3406/2.1=4...(6) Peak 3399 from cnoeabs.peaks (1.79, 0.78, 24.12 ppm; 3.46 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LEU 103 + QD1 LEU 103 OK 100 100 - 100 - 3.2=100 HB3 LEU 122 + QD1 LEU 103 OK 77 100 - 78 - 3391/2.1=13...(29) HB2 LYS 86 - QD1 LEU 103 OK 21 99 - 21 - 3407/2.1=3, 3391/2.1=3...(10) HB3 LEU 98 - QD1 LEU 103 poor 9 73 - 13 - 3167/4.1=2, 3374/3.2=2...(6) HB3 LEU 123 - QD1 LEU 103 lone 2 31 - 7 - 3.9/7747=3, 1.8/11571=2 Peak 3400 from cnoeabs.peaks (1.56, 0.78, 24.12 ppm; 2.91 A): 2 out of 2 assignments used, quality = 1.00: * HG LEU 103 + QD1 LEU 103 OK 100 100 - 100 - 2.1=100 HG13 ILE 37 + QD1 LEU 103 OK 56 92 - 61 - 3408/2.1=10, 1110=9...(20) Peak 3401 from cnoeabs.peaks (0.78, 0.78, 24.12 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 103 + QD1 LEU 103 OK 100 100 - 100 Peak 3402 from cnoeabs.peaks (0.74, 0.78, 24.12 ppm; 2.50 A): 1 out of 4 assignments used, quality = 1.00: * QD2 LEU 103 + QD1 LEU 103 OK 100 100 - 100 - 2.1=100 QD2 LEU 96 - QD1 LEU 103 lone 4 73 - 5 - 3394/2.1=1 HG12 ILE 129 - QD1 LEU 103 lone 2 65 - 3 - QG1 VAL 93 - QD1 LEU 103 lone 1 65 - 2 - Peak 3403 from cnoeabs.peaks (7.90, 0.78, 24.12 ppm; 4.03 A): 2 out of 4 assignments used, quality = 0.95: * H GLN 104 + QD1 LEU 103 OK 89 100 - 89 - 7491/2.1=33, 7489/2.1=26...(20) H SER 106 + QD1 LEU 103 OK 59 99 - 60 - ~11468=12, 11469=10...(13) H ALA 41 - QD1 LEU 103 OK 21 92 - 22 - 3395/2.1=4, 11416/2.1=4...(7) H THR 115 - QD1 LEU 103 lone 6 73 - 7 - 11416/2.1=1 Peak 3405 from cnoeabs.peaks (4.02, 0.74, 25.24 ppm; 3.78 A): 2 out of 7 assignments used, quality = 0.99: * HA LEU 103 + QD2 LEU 103 OK 97 100 - 97 - 4.1=78, 3.0/7477=22...(17) HA ILE 37 + QD2 LEU 103 OK 57 96 - 60 - 3397/2.1=12, 3389/2.1=10...(15) HA LEU 119 - QD2 LEU 103 OK 14 65 - 21 - ~11426=6, 3764/3.1=3...(8) HB2 SER 38 - QD2 LEU 103 OK 12 99 - 12 - 3397/2.1=3, 3389/2.1=3...(5) HA LYS 95 - QD2 LEU 103 OK 12 98 - 12 - 2963/3.1=3, 3397/2.1=2...(4) HA ARG 135 - QD2 LEU 103 lone 6 100 - 5 - 3372/3.1=1 HA SER 60 - QD2 LEU 103 lone 3 81 - 3 - Peak 3406 from cnoeabs.peaks (1.58, 0.74, 25.24 ppm; 3.21 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LEU 103 + QD2 LEU 103 OK 100 100 - 100 - 3.1=100 HG LEU 49 - QD2 LEU 103 OK 21 92 - 22 - 3398/2.1=5, 3390/2.1=5...(7) HG2 ARG 23 - QD2 LEU 103 OK 19 99 - 19 - 3398/2.1=5, 3390/2.1=5...(5) Peak 3407 from cnoeabs.peaks (1.79, 0.74, 25.24 ppm; 3.57 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LEU 103 + QD2 LEU 103 OK 100 100 - 100 - 3.1=100 HB3 LEU 122 + QD2 LEU 103 OK 79 100 - 80 - 3386=18, 3391/2.1=14...(30) HB2 LYS 86 - QD2 LEU 103 OK 21 99 - 21 - 3399/2.1=4, 3391/2.1=3...(10) HB3 LEU 98 - QD2 LEU 103 OK 10 73 - 14 - 3167/4.1=2, 3374/3.1=2...(6) HB3 LEU 123 - QD2 LEU 103 lone 1 31 - 3 - ~11571=2 Peak 3408 from cnoeabs.peaks (1.56, 0.74, 25.24 ppm; 3.26 A): 2 out of 2 assignments used, quality = 1.00: * HG LEU 103 + QD2 LEU 103 OK 100 100 - 100 - 2.1=100 HG13 ILE 37 + QD2 LEU 103 OK 58 92 - 63 - 3400/2.1=13, 3375/3.1=10...(19) Peak 3409 from cnoeabs.peaks (0.78, 0.74, 25.24 ppm; 2.50 A): 1 out of 5 assignments used, quality = 1.00: * QD1 LEU 103 + QD2 LEU 103 OK 100 100 - 100 - 2.1=100 QD1 ILE 37 - QD2 LEU 103 OK 37 98 - 38 - 2.1/3408=7, 1117/2.1=5...(18) QG1 VAL 63 - QD2 LEU 103 OK 36 100 - 36 - 2.1/11722=9, 3.2/11720=7...(11) QD2 LEU 122 - QD2 LEU 103 OK 34 92 - 37 - 3.1/3386=5, 3393/2.1=4...(19) QD1 ILE 32 - QD2 LEU 103 lone 5 92 - 5 - Peak 3410 from cnoeabs.peaks (0.74, 0.74, 25.24 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 103 + QD2 LEU 103 OK 100 100 - 100 Peak 3412 from cnoeabs.peaks (7.90, 4.09, 58.10 ppm; 3.75 A): 2 out of 4 assignments used, quality = 1.00: * H GLN 104 + HA GLN 104 OK 100 100 - 100 - 3.0=100 H SER 106 + HA GLN 104 OK 54 99 - 55 - 7535/3.6=28, 3422/3.0=10...(9) H ALA 41 - HA GLN 104 OK 14 92 - 14 - 3432/3.0=2, 3422/3.0=2...(7) H THR 115 - HA GLN 104 lone 5 73 - 7 - Peak 3413 from cnoeabs.peaks (4.09, 4.09, 58.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLN 104 + HA GLN 104 OK 100 100 - 100 Peak 3414 from cnoeabs.peaks (2.19, 4.09, 58.10 ppm; 3.19 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLN 104 + HA GLN 104 OK 100 100 - 100 - 3.0=100 HB VAL 133 - HA GLN 104 OK 32 100 - 32 - 3434/3.0=6, 7493/3.0=5...(10) Peak 3415 from cnoeabs.peaks (2.22, 4.09, 58.10 ppm; 3.22 A): 1 out of 8 assignments used, quality = 1.00: * HB3 GLN 104 + HA GLN 104 OK 100 100 - 100 - 3.0=100 HB3 GLU 128 - HA GLN 104 OK 39 98 - 40 - 3425/3.0=6, 3.0/3416=6...(15) HB3 GLU 102 - HA GLN 104 OK 15 81 - 18 - 7494/3.0=5, ~7484=4...(5) HB2 GLN 68 - HA GLN 104 OK 13 98 - 13 - 3425/3.0=2, 3453/3.9=1...(5) HB3 GLU 97 - HA GLN 104 poor 9 87 - 10 - 11364/11431=3...(3) HB3 GLN 127 - HA GLN 104 lone 9 96 - 9 - 7494/3.0=1...(3) HG2 GLU 91 - HA GLN 104 lone 7 92 - 8 - 4.7/7229=2, 2882/7247=1 HG2 GLN 68 - HA GLN 104 lone 7 65 - 10 - Peak 3416 from cnoeabs.peaks (2.38, 4.09, 58.10 ppm; 3.72 A): 1 out of 2 assignments used, quality = 0.99: * HG2 GLN 104 + HA GLN 104 OK 99 100 - 99 - 3.9=87, 1.8/3451=30...(23) HG2 GLU 128 - HA GLN 104 OK 38 81 - 47 - 3436/3.0=10, 3426/3.0=9...(13) Peak 3417 from cnoeabs.peaks (2.47, 4.09, 58.10 ppm; 4.06 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLN 104 + HA GLN 104 OK 100 100 - 100 - 3.9=100 HG2 GLU 55 - HA GLN 104 OK 16 81 - 20 - 7496/3.0=5, 3427/3.0=4...(7) HG2 MET 11 - HA GLN 104 OK 14 81 - 16 - 3427/3.0=4, 3437/3.0=4...(7) Peak 3418 from cnoeabs.peaks (6.96, 4.09, 58.10 ppm; 4.31 A): 1 out of 2 assignments used, quality = 0.97: * HE21 GLN 104 + HA GLN 104 OK 97 100 - 97 - 5.5=47, 1.7/7510=31...(21) H ILE 80 - HA GLN 104 lone 3 65 - 5 - 11654/10539=1 Peak 3419 from cnoeabs.peaks (7.43, 4.09, 58.10 ppm; 5.65 A): 1 out of 3 assignments used, quality = 1.00: * HE22 GLN 104 + HA GLN 104 OK 100 100 - 100 - 5.5=100 H LEU 62 - HA GLN 104 OK 33 87 - 38 - 3457/3.9=8, 3448/3.9=8...(9) H GLN 61 - HA GLN 104 OK 21 81 - 26 - 3448/3.9=6, 3457/3.9=5...(6) Peak 3420 from cnoeabs.peaks (7.62, 4.09, 58.10 ppm; 4.25 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 105 + HA GLN 104 OK 100 100 - 100 - 3.6=100 Peak 3421 from cnoeabs.peaks (4.10, 2.19, 29.39 ppm; 3.61 A): 1 out of 6 assignments used, quality = 0.68: * HA GLN 101 + HB2 GLN 104 OK 68 100 - 68 - 3283=44, 3431/1.8=23...(4) HA LEU 49 - HB2 GLN 104 poor 10 96 - 10 - 3431/1.8=4, 7482/3.9=3...(4) HA LEU 98 - HB2 GLN 104 lone 10 98 - 10 - 3431/1.8=4, 7482/3.9=3...(4) HA ILE 32 - HB2 GLN 104 lone 5 87 - 6 - 3431/1.8=2, 4.2/11435=1 HA CYS 79 - HB2 GLN 104 lone 5 98 - 5 - 3431/1.8=2 HA LEU 48 - HB2 GLN 104 lone 4 87 - 4 - 3431/1.8=2, 7482/3.9=1 Peak 3422 from cnoeabs.peaks (7.90, 2.19, 29.39 ppm; 3.68 A): 2 out of 4 assignments used, quality = 0.99: * H GLN 104 + HB2 GLN 104 OK 97 100 - 97 - 3.9=84, 7496/3.0=24...(14) H SER 106 + HB2 GLN 104 OK 58 99 - 58 - 7535/4.4=21, 3432/1.8=12...(9) H ALA 41 - HB2 GLN 104 OK 14 92 - 15 - 3432/1.8=3, 3450/3.0=2...(7) H THR 115 - HB2 GLN 104 lone 5 73 - 7 - 3432/1.8=1 Peak 3423 from cnoeabs.peaks (4.09, 2.19, 29.39 ppm; 3.41 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 104 + HB2 GLN 104 OK 100 100 - 100 - 3.0=100 HA PHE 89 - HB2 GLN 104 OK 38 98 - 39 - 3433/1.8=10, 3442/3.0=7...(11) Peak 3424 from cnoeabs.peaks (2.19, 2.19, 29.39 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 104 + HB2 GLN 104 OK 100 100 - 100 Peak 3425 from cnoeabs.peaks (2.22, 2.19, 29.39 ppm; 2.71 A): 1 out of 8 assignments used, quality = 1.00: * HB3 GLN 104 + HB2 GLN 104 OK 100 100 - 100 - 1.8=100 HB3 GLU 128 - HB2 GLN 104 OK 35 98 - 36 - 4100/3.0=5, 3.0/3426=5...(17) HB2 GLN 68 - HB2 GLN 104 OK 11 98 - 11 - 2135/1.8=1, 3453/3.0=1...(5) HB3 GLU 102 - HB2 GLN 104 poor 8 81 - 10 - 7494/3.9=2, 3415/3.0=1 HB3 GLU 97 - HB2 GLN 104 lone 8 87 - 9 - 3284/3283=1, 10003/4247=1 HB3 GLN 127 - HB2 GLN 104 lone 6 96 - 6 - HG2 GLN 68 - HB2 GLN 104 lone 5 65 - 8 - HG2 GLU 91 - HB2 GLN 104 lone 3 92 - 3 - Peak 3426 from cnoeabs.peaks (2.38, 2.19, 29.39 ppm; 3.59 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLN 104 + HB2 GLN 104 OK 100 100 - 100 - 3.0=100 HG2 GLU 128 - HB2 GLN 104 OK 44 81 - 55 - 3436/1.8=12, 3416/3.0=7...(16) Peak 3427 from cnoeabs.peaks (2.47, 2.19, 29.39 ppm; 3.76 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLN 104 + HB2 GLN 104 OK 100 100 - 100 - 3.0=100 HG2 GLU 55 - HB2 GLN 104 OK 18 81 - 22 - 3437/1.8=5, 3417/3.0=3...(9) HG2 MET 11 - HB2 GLN 104 OK 15 81 - 18 - 3437/1.8=4, 3417/3.0=3...(8) Peak 3429 from cnoeabs.peaks (7.43, 2.19, 29.39 ppm; 6.80 A): 1 out of 3 assignments used, quality = 1.00: * HE22 GLN 104 + HB2 GLN 104 OK 100 100 - 100 - 4.5=100 H LEU 62 - HB2 GLN 104 OK 38 87 - 44 - 3439/1.8=11, 3457/3.0=10...(6) H GLN 61 - HB2 GLN 104 OK 29 81 - 36 - 3439/1.8=7, 6761/4.5=7...(7) Peak 3430 from cnoeabs.peaks (7.62, 2.19, 29.39 ppm; 4.38 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 105 + HB2 GLN 104 OK 100 100 - 100 - 4.4=100 Peak 3431 from cnoeabs.peaks (4.10, 2.22, 29.39 ppm; 3.58 A): 3 out of 6 assignments used, quality = 0.73: * HA GLN 101 + HB3 GLN 104 OK 65 100 - 65 - 3283/1.8=36, 3284=23...(6) HA LEU 49 + HB3 GLN 104 OK 12 96 - 12 - 3421/1.8=3, 4.1/11437=3...(4) HA LEU 98 + HB3 GLN 104 OK 11 98 - 11 - 3421/1.8=3, 7482/3.9=3...(4) HA LEU 48 - HB3 GLN 104 lone 6 87 - 7 - 3421/1.8=1, 4.0/11437=1...(4) HA ILE 32 - HB3 GLN 104 lone 6 87 - 6 - 3421/1.8=2, 4.2/11436=2 HA CYS 79 - HB3 GLN 104 lone 5 98 - 5 - 3421/1.8=2 Peak 3432 from cnoeabs.peaks (7.90, 2.22, 29.39 ppm; 3.63 A): 2 out of 4 assignments used, quality = 0.98: * H GLN 104 + HB3 GLN 104 OK 97 100 - 97 - 3.9=80, 7493/1.8=36...(17) H SER 106 + HB3 GLN 104 OK 53 99 - 54 - 7535/4.4=20, 3422/1.8=12...(8) H ALA 41 - HB3 GLN 104 OK 14 92 - 14 - 3422/1.8=3, 3450/3.0=2...(7) H THR 115 - HB3 GLN 104 lone 5 73 - 7 - 3422/1.8=1 Peak 3433 from cnoeabs.peaks (4.09, 2.22, 29.39 ppm; 3.39 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 104 + HB3 GLN 104 OK 100 100 - 100 - 3.0=100 HA PHE 89 - HB3 GLN 104 OK 39 98 - 39 - 3423/1.8=10, 3442/3.0=7...(11) Peak 3434 from cnoeabs.peaks (2.19, 2.22, 29.39 ppm; 2.63 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLN 104 + HB3 GLN 104 OK 100 100 - 100 - 1.8=100 HB VAL 133 - HB3 GLN 104 OK 25 100 - 25 - 3443/3.0=4, 3452/3.0=4...(10) Peak 3435 from cnoeabs.peaks (2.22, 2.22, 29.39 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 104 + HB3 GLN 104 OK 100 100 - 100 Peak 3436 from cnoeabs.peaks (2.38, 2.22, 29.39 ppm; 3.55 A): 2 out of 2 assignments used, quality = 1.00: * HG2 GLN 104 + HB3 GLN 104 OK 100 100 - 100 - 3.0=100 HG2 GLU 128 + HB3 GLN 104 OK 47 81 - 58 - 3426/1.8=11, 3416/3.0=7...(19) Peak 3437 from cnoeabs.peaks (2.47, 2.22, 29.39 ppm; 3.70 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLN 104 + HB3 GLN 104 OK 100 100 - 100 - 3.0=100 HG2 GLU 55 - HB3 GLN 104 OK 17 81 - 21 - 3427/1.8=5, 3417/3.0=3...(9) HG2 MET 11 - HB3 GLN 104 OK 14 81 - 17 - 3427/1.8=4, 3417/3.0=3...(8) Peak 3439 from cnoeabs.peaks (7.43, 2.22, 29.39 ppm; 6.80 A): 2 out of 3 assignments used, quality = 1.00: * HE22 GLN 104 + HB3 GLN 104 OK 100 100 - 100 - 4.5=100 H LEU 62 + HB3 GLN 104 OK 46 87 - 53 - 4.6/11437=12...(9) H GLN 61 - HB3 GLN 104 OK 30 81 - 37 - 3429/1.8=7, 6761/4.5=7...(8) Peak 3440 from cnoeabs.peaks (7.62, 2.22, 29.39 ppm; 4.33 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 105 + HB3 GLN 104 OK 100 100 - 100 - 4.4=97, 3430/1.8=38...(9) Peak 3441 from cnoeabs.peaks (7.90, 2.38, 34.44 ppm; 3.66 A): 2 out of 4 assignments used, quality = 0.97: * H GLN 104 + HG2 GLN 104 OK 92 100 - 92 - 5.0=39, 7496/1.8=32...(16) H SER 106 + HG2 GLN 104 OK 58 99 - 58 - 4.3/11439=17...(9) H ALA 41 - HG2 GLN 104 OK 13 92 - 14 - 3450/1.8=3, 3432/3.0=2...(6) H THR 115 - HG2 GLN 104 lone 5 73 - 7 - 3450/1.8=1, 7509/3.5=1 Peak 3442 from cnoeabs.peaks (4.09, 2.38, 34.44 ppm; 3.41 A): 1 out of 2 assignments used, quality = 0.97: * HA GLN 104 + HG2 GLN 104 OK 97 100 - 97 - 3.9=67, 3451/1.8=26...(23) HA PHE 89 - HG2 GLN 104 OK 34 98 - 34 - 3451/1.8=9, 3433/3.0=7...(7) Peak 3443 from cnoeabs.peaks (2.19, 2.38, 34.44 ppm; 2.81 A): 1 out of 2 assignments used, quality = 0.96: * HB2 GLN 104 + HG2 GLN 104 OK 96 100 - 96 - 3.0=81, 3452/1.8=23...(20) HB VAL 133 - HG2 GLN 104 OK 27 100 - 27 - 3452/1.8=7, 3434/3.0=5...(10) Peak 3444 from cnoeabs.peaks (2.22, 2.38, 34.44 ppm; 2.72 A): 2 out of 8 assignments used, quality = 0.96: * HB3 GLN 104 + HG2 GLN 104 OK 94 100 - 94 - 3.0=74, 1.8/3443=24...(20) HB3 GLU 128 + HG2 GLN 104 OK 42 98 - 43 - 3453/1.8=7, 4100=6...(17) HB2 GLN 68 - HG2 GLN 104 lone 10 98 - 10 - 3453/1.8=2, 3425/3.0=1 HB3 GLN 127 - HG2 GLN 104 lone 8 96 - 8 - 4.7/7853=1, 3453/1.8=1 HB3 GLU 102 - HG2 GLN 104 lone 7 81 - 8 - 7494/5.0=1, 3453/1.8=1 HB3 GLU 97 - HG2 GLN 104 lone 5 87 - 5 - HG2 GLN 68 - HG2 GLN 104 lone 5 65 - 7 - HG2 GLU 91 - HG2 GLN 104 lone 3 92 - 3 - Peak 3445 from cnoeabs.peaks (2.38, 2.38, 34.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 104 + HG2 GLN 104 OK 100 100 - 100 Peak 3446 from cnoeabs.peaks (2.47, 2.38, 34.44 ppm; 2.50 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLN 104 + HG2 GLN 104 OK 100 100 - 100 - 1.8=100 HG2 GLU 55 - HG2 GLN 104 lone 8 81 - 10 - 3427/3.0=2, 3437/3.0=2...(5) HG2 MET 11 - HG2 GLN 104 lone 6 81 - 7 - 3437/3.0=1, 3427/3.0=1 Peak 3447 from cnoeabs.peaks (6.96, 2.38, 34.44 ppm; 4.62 A): 1 out of 2 assignments used, quality = 1.00: * HE21 GLN 104 + HG2 GLN 104 OK 100 100 - 100 - 3.5=100 H ILE 80 - HG2 GLN 104 lone 4 65 - 6 - ~2436=2, 3456/1.8=2 Peak 3448 from cnoeabs.peaks (7.43, 2.38, 34.44 ppm; 3.99 A): 1 out of 3 assignments used, quality = 1.00: * HE22 GLN 104 + HG2 GLN 104 OK 100 100 - 100 - 3.5=100 H LEU 62 - HG2 GLN 104 OK 28 87 - 33 - 3457/1.8=7, 4.6/11440=6...(10) H GLN 61 - HG2 GLN 104 OK 20 81 - 24 - 6761/3.5=5, 3457/1.8=5...(10) Peak 3449 from cnoeabs.peaks (7.62, 2.38, 34.44 ppm; 5.00 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 105 + HG2 GLN 104 OK 100 100 - 100 - 5.0=100 Peak 3450 from cnoeabs.peaks (7.90, 2.47, 34.44 ppm; 3.68 A): 2 out of 4 assignments used, quality = 0.96: * H GLN 104 + HG3 GLN 104 OK 92 100 - 92 - 5.0=40, 7493/3.0=28...(15) H SER 106 + HG3 GLN 104 OK 49 99 - 50 - 7535/5.0=17, 3441/1.8=13...(7) H ALA 41 - HG3 GLN 104 OK 13 92 - 13 - 3441/1.8=3, 3432/3.0=2...(6) H THR 115 - HG3 GLN 104 lone 5 73 - 6 - 3441/1.8=1, 7509/3.5=1 Peak 3451 from cnoeabs.peaks (4.09, 2.47, 34.44 ppm; 3.46 A): 1 out of 2 assignments used, quality = 0.98: * HA GLN 104 + HG3 GLN 104 OK 98 100 - 98 - 3.9=70, 3442/1.8=27...(22) HA PHE 89 - HG3 GLN 104 OK 35 98 - 35 - 3442/1.8=9, 3433/3.0=8...(7) Peak 3452 from cnoeabs.peaks (2.19, 2.47, 34.44 ppm; 2.99 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLN 104 + HG3 GLN 104 OK 100 100 - 100 - 3.0=98, 3443/1.8=28...(20) HB VAL 133 - HG3 GLN 104 OK 30 100 - 30 - 3443/1.8=8, 3434/3.0=5...(10) Peak 3453 from cnoeabs.peaks (2.22, 2.47, 34.44 ppm; 2.96 A): 1 out of 8 assignments used, quality = 0.99: * HB3 GLN 104 + HG3 GLN 104 OK 99 100 - 99 - 3.0=95, 1.8/3452=25...(20) HB3 GLU 128 - HG3 GLN 104 OK 42 98 - 43 - 4100/1.8=9, 3.0/3454=5...(17) HB2 GLN 68 - HG3 GLN 104 OK 12 98 - 12 - 3444/1.8=2, 3425/3.0=2...(4) HB3 GLU 102 - HG3 GLN 104 lone 7 81 - 9 - 7494/5.0=2, 3444/1.8=1...(5) HB3 GLN 127 - HG3 GLN 104 lone 7 96 - 7 - 3444/1.8=2 HB3 GLU 97 - HG3 GLN 104 lone 6 87 - 6 - 3425/3.0=1, 3444/1.8=1 HG2 GLN 68 - HG3 GLN 104 lone 6 65 - 8 - 3444/1.8=1 HG2 GLU 91 - HG3 GLN 104 lone 3 92 - 4 - Peak 3454 from cnoeabs.peaks (2.38, 2.47, 34.44 ppm; 2.50 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLN 104 + HG3 GLN 104 OK 100 100 - 100 - 1.8=100 HG2 GLU 128 - HG3 GLN 104 OK 24 81 - 30 - 3436/3.0=4, 3426/3.0=4...(13) Peak 3455 from cnoeabs.peaks (2.47, 2.47, 34.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 104 + HG3 GLN 104 OK 100 100 - 100 Peak 3456 from cnoeabs.peaks (6.96, 2.47, 34.44 ppm; 4.60 A): 1 out of 2 assignments used, quality = 1.00: * HE21 GLN 104 + HG3 GLN 104 OK 100 100 - 100 - 3.5=100 H ILE 80 - HG3 GLN 104 lone 4 65 - 6 - ~2436=2, 3447/1.8=2 Peak 3457 from cnoeabs.peaks (7.43, 2.47, 34.44 ppm; 3.98 A): 1 out of 3 assignments used, quality = 1.00: * HE22 GLN 104 + HG3 GLN 104 OK 100 100 - 100 - 3.5=100 H LEU 62 - HG3 GLN 104 OK 29 87 - 34 - 4.6/11442=11, 3448/1.8=7...(8) H GLN 61 - HG3 GLN 104 OK 18 81 - 22 - 3448/1.8=5, 6761/3.5=5...(9) Peak 3458 from cnoeabs.peaks (7.62, 2.47, 34.44 ppm; 4.83 A): 1 out of 1 assignment used, quality = 0.99: * H VAL 105 + HG3 GLN 104 OK 99 100 - 99 - 5.0=92, 3440/3.0=37...(9) Peak 3459 from cnoeabs.peaks (7.62, 4.19, 62.60 ppm; 3.55 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 105 + HA VAL 105 OK 100 100 - 100 - 3.0=100 Peak 3460 from cnoeabs.peaks (4.19, 4.19, 62.60 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 105 + HA VAL 105 OK 100 100 - 100 Peak 3461 from cnoeabs.peaks (2.26, 4.19, 62.60 ppm; 3.17 A): 1 out of 4 assignments used, quality = 1.00: * HB VAL 105 + HA VAL 105 OK 100 100 - 100 - 3.0=100 HG2 GLU 97 - HA VAL 105 lone 7 87 - 8 - 7537/3.6=2, 7530/3.0=2...(4) HB3 PRO 113 - HA VAL 105 lone 3 65 - 4 - HB2 PRO 81 - HA VAL 105 lone 3 57 - 4 - Peak 3462 from cnoeabs.peaks (0.96, 4.19, 62.60 ppm; 3.02 A): 1 out of 5 assignments used, quality = 0.95: * QG1 VAL 105 + HA VAL 105 OK 95 100 - 95 - 3.2=84, 2.1/3463=25...(12) QG1 VAL 126 - HA VAL 105 OK 21 98 - 21 - ~11456=5, 3469/3.0=4...(7) QG2 VAL 126 - HA VAL 105 OK 19 96 - 20 - ~11456=5, 3469/3.0=3...(8) QD2 LEU 53 - HA VAL 105 lone 2 81 - 2 - QG1 VAL 112 - HA VAL 105 lone 1 73 - 1 - Peak 3463 from cnoeabs.peaks (1.00, 4.19, 62.60 ppm; 3.08 A): 1 out of 3 assignments used, quality = 0.97: * QG2 VAL 105 + HA VAL 105 OK 97 100 - 97 - 3.2=90, 3478/3.0=25...(12) QG2 VAL 118 - HA VAL 105 OK 13 87 - 14 - 7539/3.6=4, 7532/3.0=3...(5) QD1 LEU 69 - HA VAL 105 lone 9 92 - 10 - 3470/3.0=2, 3476/3.2=2...(5) Peak 3464 from cnoeabs.peaks (7.90, 4.19, 62.60 ppm; 3.59 A): 2 out of 4 assignments used, quality = 1.00: * H SER 106 + HA VAL 105 OK 100 100 - 100 - 3.6=100 H GLN 104 + HA VAL 105 OK 63 99 - 64 - 7499/3.0=30...(6) H THR 115 - HA VAL 105 lone 6 87 - 7 - 3477/3.2=2, ~11523=1...(4) H ALA 41 - HA VAL 105 lone 4 81 - 5 - 7521/3.0=2 Peak 3465 from cnoeabs.peaks (4.05, 2.26, 31.98 ppm; 4.04 A): 3 out of 5 assignments used, quality = 0.72: * HA GLU 102 + HB VAL 105 OK 60 100 - 60 - 3331=35, 7518/4.0=17...(5) HA LEU 122 + HB VAL 105 OK 20 100 - 20 - 3331=7, 7518/4.0=5...(5) HA LEU 96 + HB VAL 105 OK 12 65 - 18 - 10086/2.1=4, 3.0/10082=3...(7) HA ALA 92 - HB VAL 105 lone 5 98 - 5 - 7518/4.0=2, 10086/2.1=2 HA GLU 44 - HB VAL 105 lone 4 99 - 4 - 10086/2.1=1, 7518/4.0=1 Peak 3466 from cnoeabs.peaks (7.62, 2.26, 31.98 ppm; 3.58 A): 1 out of 1 assignment used, quality = 0.96: * H VAL 105 + HB VAL 105 OK 96 100 - 96 - 4.0=73, 3478/2.1=40...(10) Peak 3467 from cnoeabs.peaks (4.19, 2.26, 31.98 ppm; 3.28 A): 1 out of 3 assignments used, quality = 1.00: * HA VAL 105 + HB VAL 105 OK 100 100 - 100 - 3.0=100 HA GLU 128 - HB VAL 105 OK 25 87 - 29 - ~11624=9, 3473/2.1=6...(9) HB THR 18 - HB VAL 105 lone 5 98 - 5 - 3479/2.1=1, 3473/2.1=1 Peak 3468 from cnoeabs.peaks (2.26, 2.26, 31.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB VAL 105 + HB VAL 105 OK 100 100 - 100 Peak 3469 from cnoeabs.peaks (0.96, 2.26, 31.98 ppm; 2.76 A): 1 out of 5 assignments used, quality = 1.00: * QG1 VAL 105 + HB VAL 105 OK 100 100 - 100 - 2.1=100 QG1 VAL 126 - HB VAL 105 OK 20 98 - 20 - ~11456=6, 3481/2.1=4...(7) QG2 VAL 126 - HB VAL 105 OK 18 96 - 18 - ~11456=6, 3481/2.1=4...(6) QD2 LEU 53 - HB VAL 105 lone 2 81 - 2 - QG1 VAL 112 - HB VAL 105 lone 1 73 - 1 - Peak 3470 from cnoeabs.peaks (1.00, 2.26, 31.98 ppm; 2.85 A): 1 out of 3 assignments used, quality = 1.00: * QG2 VAL 105 + HB VAL 105 OK 100 100 - 100 - 2.1=100 QG2 VAL 118 - HB VAL 105 poor 10 87 - 11 - 3476/2.1=2, 7539/4.4=2...(5) QD1 LEU 69 - HB VAL 105 lone 8 92 - 9 - 3476/2.1=2, 3463/3.0=2...(4) Peak 3471 from cnoeabs.peaks (7.90, 2.26, 31.98 ppm; 3.84 A): 2 out of 4 assignments used, quality = 0.98: * H SER 106 + HB VAL 105 OK 93 100 - 93 - 4.4=65, 7538/2.1=30...(7) H GLN 104 + HB VAL 105 OK 65 99 - 65 - 10070/2.1=34...(5) H THR 115 - HB VAL 105 lone 8 87 - 9 - 3477/2.1=3, ~11523=2...(4) H ALA 41 - HB VAL 105 lone 4 81 - 5 - 3483/2.1=1, 7521/4.0=1 Peak 3472 from cnoeabs.peaks (7.62, 0.96, 20.99 ppm; 3.46 A): 1 out of 1 assignment used, quality = 0.94: * H VAL 105 + QG1 VAL 105 OK 94 100 - 94 - 3.9=68, 3478/2.1=39...(9) Peak 3473 from cnoeabs.peaks (4.19, 0.96, 20.99 ppm; 3.08 A): 1 out of 3 assignments used, quality = 0.97: * HA VAL 105 + QG1 VAL 105 OK 97 100 - 97 - 3.2=89, 3463/2.1=25...(12) HA GLU 128 - QG1 VAL 105 OK 22 87 - 26 - ~11624=8, 3467/2.1=5...(9) HB THR 18 - QG1 VAL 105 lone 4 98 - 4 - 3479/2.1=1, 3467/2.1=1 Peak 3474 from cnoeabs.peaks (2.26, 0.96, 20.99 ppm; 2.62 A): 1 out of 4 assignments used, quality = 1.00: * HB VAL 105 + QG1 VAL 105 OK 100 100 - 100 - 2.1=100 HG2 GLU 97 - QG1 VAL 105 lone 4 87 - 5 - 3480/2.1=1 HB3 PRO 113 - QG1 VAL 105 lone 2 65 - 3 - HB2 PRO 81 - QG1 VAL 105 lone 2 57 - 3 - Peak 3475 from cnoeabs.peaks (0.96, 0.96, 20.99 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 105 + QG1 VAL 105 OK 100 100 - 100 Peak 3476 from cnoeabs.peaks (1.00, 0.96, 20.99 ppm; 2.50 A): 1 out of 3 assignments used, quality = 1.00: * QG2 VAL 105 + QG1 VAL 105 OK 100 100 - 100 - 2.1=100 QG2 VAL 118 - QG1 VAL 105 lone 7 87 - 9 - 3470/2.1=2, 7539/4.4=2...(4) QD1 LEU 69 - QG1 VAL 105 lone 6 92 - 7 - 3470/2.1=2, 3463/3.2=1 Peak 3477 from cnoeabs.peaks (7.90, 0.96, 20.99 ppm; 3.52 A): 2 out of 4 assignments used, quality = 0.95: * H SER 106 + QG1 VAL 105 OK 89 100 - 89 - 4.4=53, 7537/2.1=27...(8) H GLN 104 + QG1 VAL 105 OK 58 99 - 58 - 10070/2.1=29...(5) H THR 115 - QG1 VAL 105 OK 11 87 - 12 - 4.6/10230=4, 3.0/11523=2...(5) H ALA 41 - QG1 VAL 105 lone 5 81 - 6 - 3483/2.1=1, 7521/3.9=1 Peak 3478 from cnoeabs.peaks (7.62, 1.00, 20.13 ppm; 2.99 A): 1 out of 1 assignment used, quality = 0.84: * H VAL 105 + QG2 VAL 105 OK 84 100 - 84 - 7532=42, 3472/2.1=25...(10) Peak 3479 from cnoeabs.peaks (4.19, 1.00, 20.13 ppm; 3.11 A): 1 out of 3 assignments used, quality = 0.98: * HA VAL 105 + QG2 VAL 105 OK 98 100 - 98 - 3.2=92, 3.0/3478=26...(12) HA GLU 128 - QG2 VAL 105 OK 21 87 - 24 - 3473/2.1=6, 3467/2.1=6...(8) HB THR 18 - QG2 VAL 105 lone 5 98 - 4 - 3473/2.1=1, 3467/2.1=1 Peak 3480 from cnoeabs.peaks (2.26, 1.00, 20.13 ppm; 2.75 A): 1 out of 4 assignments used, quality = 1.00: * HB VAL 105 + QG2 VAL 105 OK 100 100 - 100 - 2.1=100 HG2 GLU 97 - QG2 VAL 105 lone 5 87 - 6 - 3474/2.1=1, 7537/4.3=1 HB2 PRO 81 - QG2 VAL 105 lone 3 57 - 4 - HB3 PRO 113 - QG2 VAL 105 lone 2 65 - 3 - Peak 3481 from cnoeabs.peaks (0.96, 1.00, 20.13 ppm; 2.50 A): 1 out of 5 assignments used, quality = 1.00: * QG1 VAL 105 + QG2 VAL 105 OK 100 100 - 100 - 2.1=100 QG1 VAL 126 - QG2 VAL 105 OK 18 98 - 18 - 2.1/11456=7, 3469/2.1=3...(6) QG2 VAL 126 - QG2 VAL 105 OK 16 96 - 17 - 2.1/11456=7, 3469/2.1=3...(4) QD2 LEU 53 - QG2 VAL 105 lone 1 81 - 2 - QG1 VAL 112 - QG2 VAL 105 lone 1 73 - 1 - Peak 3482 from cnoeabs.peaks (1.00, 1.00, 20.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 105 + QG2 VAL 105 OK 100 100 - 100 Peak 3483 from cnoeabs.peaks (7.90, 1.00, 20.13 ppm; 3.30 A): 2 out of 4 assignments used, quality = 0.96: * H SER 106 + QG2 VAL 105 OK 87 100 - 87 - 4.3=45, 7537/2.1=24...(10) H GLN 104 + QG2 VAL 105 OK 68 99 - 68 - 10070=26, 7499/4.0=18...(12) H THR 115 - QG2 VAL 105 lone 7 87 - 7 - 3477/2.1=2, ~11523=1, 3471/2.1=1 H ALA 41 - QG2 VAL 105 lone 5 81 - 6 - 6473/11457=2 Peak 3484 from cnoeabs.peaks (7.90, 4.46, 58.89 ppm; 3.46 A): 1 out of 4 assignments used, quality = 1.00: * H SER 106 + HA SER 106 OK 100 100 - 100 - 2.9=100 H GLN 104 - HA SER 106 OK 27 99 - 27 - 10070/11466=7...(6) H THR 115 - HA SER 106 lone 4 87 - 4 - H ALA 41 - HA SER 106 lone 2 81 - 3 - Peak 3485 from cnoeabs.peaks (4.46, 4.46, 58.89 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 106 + HA SER 106 OK 100 100 - 100 Peak 3486 from cnoeabs.peaks (3.97, 4.46, 58.89 ppm; 2.83 A): 1 out of 8 assignments used, quality = 0.92: * HB2 SER 106 + HA SER 106 OK 92 100 - 92 - 3.0=81, 1.8/3495=28...(9) HB3 SER 107 - HA SER 106 OK 18 87 - 21 - 4.1/7546=12, 7541/2.9=3...(5) HA THR 65 - HA SER 106 OK 14 96 - 14 - ~11781=4, 7541/2.9=3...(4) HA LEU 100 - HA SER 106 OK 11 92 - 12 - 3.0/11465=6, 7541/2.9=2 HA GLN 127 - HA SER 106 lone 4 98 - 4 - HB3 SER 94 - HA SER 106 lone 2 87 - 2 - HA2 GLY 17 - HA SER 106 lone 2 92 - 2 - HA3 GLY 17 - HA SER 106 lone 2 92 - 2 - Peak 3487 from cnoeabs.peaks (3.98, 4.46, 58.89 ppm; 2.83 A): 2 out of 6 assignments used, quality = 0.93: * HB3 SER 106 + HA SER 106 OK 92 100 - 92 - 3.0=81, 1.8/3490=28...(9) HA THR 65 + HA SER 106 OK 10 73 - 14 - ~11781=4, 7542/2.9=3...(4) HA GLU 91 - HA SER 106 lone 3 99 - 2 - HA GLN 127 - HA SER 106 lone 3 65 - 4 - 3492/3.0=1 HB3 SER 94 - HA SER 106 lone 2 87 - 3 - HB3 SER 51 - HA SER 106 lone 2 98 - 2 - Peak 3488 from cnoeabs.peaks (8.23, 4.46, 58.89 ppm; 3.22 A): 1 out of 3 assignments used, quality = 0.86: * H SER 107 + HA SER 106 OK 86 100 - 87 - 3.6=73, 7548/3.0=21...(6) H LYS 31 - HA SER 106 lone 6 100 - 6 - 3498/3.0=2, 3493/3.0=2 H SER 33 - HA SER 106 lone 6 99 - 6 - 3498/3.0=2, 7543/2.9=2 Peak 3489 from cnoeabs.peaks (7.90, 3.97, 63.90 ppm; 3.19 A): 2 out of 4 assignments used, quality = 0.87: * H SER 106 + HB2 SER 106 OK 82 100 - 82 - 4.0=49, 7542/1.8=29...(7) H GLN 104 + HB2 SER 106 OK 25 99 - 25 - 3494/1.8=7, 7481=6...(8) H THR 115 - HB2 SER 106 lone 3 87 - 3 - H ALA 41 - HB2 SER 106 lone 2 81 - 2 - Peak 3490 from cnoeabs.peaks (4.46, 3.97, 63.90 ppm; 2.92 A): 1 out of 4 assignments used, quality = 0.96: * HA SER 106 + HB2 SER 106 OK 96 100 - 96 - 3.0=90, 3495/1.8=29...(10) HA ASP 64 - HB2 SER 106 lone 8 100 - 8 - 3495/1.8=2, 3.6/6841=1 HA PRO 58 - HB2 SER 106 lone 4 96 - 4 - 3495/1.8=1 HB THR 54 - HB2 SER 106 lone 1 92 - 1 - Peak 3491 from cnoeabs.peaks (3.97, 3.97, 63.90 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 106 + HB2 SER 106 OK 100 100 - 100 Peak 3492 from cnoeabs.peaks (3.98, 3.97, 63.90 ppm; 2.50 A): 1 out of 6 assignments used, quality = 1.00: * HB3 SER 106 + HB2 SER 106 OK 100 100 - 100 - 1.8=100 HA THR 65 - HB2 SER 106 poor 8 73 - 11 - 3487/3.0=2, 7542/4.0=1...(4) HA GLN 127 - HB2 SER 106 lone 5 65 - 8 - 3.0/4041=1, 3.0/4051=1 HB3 SER 94 - HB2 SER 106 lone 3 87 - 4 - HA GLU 91 - HB2 SER 106 lone 2 99 - 2 - HB3 SER 51 - HB2 SER 106 lone 2 98 - 1 - Peak 3493 from cnoeabs.peaks (8.23, 3.97, 63.90 ppm; 3.67 A): 1 out of 3 assignments used, quality = 0.85: * H SER 107 + HB2 SER 106 OK 85 100 - 85 - 4.5=55, 7548/1.8=36...(7) H SER 33 - HB2 SER 106 lone 8 99 - 8 - 3498/1.8=3, 3488/3.0=2 H LYS 31 - HB2 SER 106 lone 8 100 - 8 - 3498/1.8=4, 3488/3.0=2 Peak 3494 from cnoeabs.peaks (7.90, 3.98, 63.90 ppm; 3.17 A): 2 out of 4 assignments used, quality = 0.86: * H SER 106 + HB3 SER 106 OK 82 100 - 82 - 4.0=48, 3489/1.8=25...(7) H GLN 104 + HB3 SER 106 OK 23 99 - 23 - 3489/1.8=8...(6) H THR 115 - HB3 SER 106 lone 3 87 - 3 - H ALA 41 - HB3 SER 106 lone 2 81 - 2 - Peak 3495 from cnoeabs.peaks (4.46, 3.98, 63.90 ppm; 2.92 A): 1 out of 4 assignments used, quality = 0.96: * HA SER 106 + HB3 SER 106 OK 96 100 - 96 - 3.0=90, 3490/1.8=29...(10) HA ASP 64 - HB3 SER 106 lone 8 100 - 8 - 3490/1.8=2, 7540/4.0=1 HA PRO 58 - HB3 SER 106 lone 4 96 - 4 - 3490/1.8=1 HB THR 54 - HB3 SER 106 lone 1 92 - 1 - Peak 3496 from cnoeabs.peaks (3.97, 3.98, 63.90 ppm; 2.50 A): 1 out of 8 assignments used, quality = 1.00: * HB2 SER 106 + HB3 SER 106 OK 100 100 - 100 - 1.8=100 HB3 SER 107 - HB3 SER 106 OK 14 87 - 16 - 4.1/7548=8, 3486/3.0=2...(5) HA THR 65 - HB3 SER 106 lone 9 96 - 9 - 3486/3.0=2, 7541/4.0=1 HA LEU 100 - HB3 SER 106 lone 5 92 - 6 - 3.0/10094=1, 3486/3.0=1 HA GLN 127 - HB3 SER 106 lone 4 98 - 4 - HB3 SER 94 - HB3 SER 106 lone 3 87 - 4 - 1.8/2938=1 HA2 GLY 17 - HB3 SER 106 lone 1 92 - 1 - HA3 GLY 17 - HB3 SER 106 lone 1 92 - 1 - Peak 3497 from cnoeabs.peaks (3.98, 3.98, 63.90 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 106 + HB3 SER 106 OK 100 100 - 100 Peak 3498 from cnoeabs.peaks (8.23, 3.98, 63.90 ppm; 3.74 A): 2 out of 3 assignments used, quality = 0.87: * H SER 107 + HB3 SER 106 OK 85 100 - 85 - 4.5=58, 3493/1.8=31...(6) H LYS 31 + HB3 SER 106 OK 10 100 - 10 - 3493/1.8=3, 3488/3.0=2...(4) H SER 33 - HB3 SER 106 lone 10 99 - 9 - 3493/1.8=3, 3488/3.0=2 Peak 3499 from cnoeabs.peaks (8.23, 4.39, 58.42 ppm; 3.09 A): 1 out of 3 assignments used, quality = 1.00: * H SER 107 + HA SER 107 OK 100 100 - 100 - 3.0=100 H SER 33 - HA SER 107 OK 24 99 - 24 - 4.4/10828=6, 3504/3.0=4...(7) H LYS 31 - HA SER 107 OK 12 100 - 11 - 3504/3.0=2, 7554/3.6=2...(5) Peak 3500 from cnoeabs.peaks (4.39, 4.39, 58.42 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 107 + HA SER 107 OK 100 100 - 100 Peak 3501 from cnoeabs.peaks (3.92, 4.39, 58.42 ppm; 2.92 A): 1 out of 4 assignments used, quality = 0.94: * HB2 SER 107 + HA SER 107 OK 94 100 - 94 - 3.0=90, 7550/3.0=18...(7) HA3 GLY 14 - HA SER 107 lone 3 98 - 3 - HA2 GLY 14 - HA SER 107 lone 3 96 - 3 - HA2 GLY 111 - HA SER 107 lone 1 65 - 1 - Peak 3502 from cnoeabs.peaks (3.96, 4.39, 58.42 ppm; 3.15 A): 1 out of 7 assignments used, quality = 1.00: * HB3 SER 107 + HA SER 107 OK 100 100 - 100 - 3.0=100 HB2 SER 106 - HA SER 107 OK 38 87 - 44 - 3493/3.0=13, ~7548=11...(8) HA LEU 100 - HA SER 107 lone 8 100 - 8 - 7557/3.6=2, ~10107=2...(4) HA2 GLY 17 - HA SER 107 lone 5 100 - 5 - 3507/3.0=2 HA3 GLY 17 - HA SER 107 lone 5 100 - 5 - 3507/3.0=2 HD3 PRO 117 - HA SER 107 lone 3 73 - 4 - HA GLN 127 - HA SER 107 lone 1 65 - 2 - Peak 3503 from cnoeabs.peaks (8.08, 4.39, 58.42 ppm; 3.76 A): 1 out of 5 assignments used, quality = 1.00: * H ALA 108 + HA SER 107 OK 100 100 - 100 - 3.6=100 H ALA 109 - HA SER 107 OK 41 99 - 42 - 4.6/7555=19, 3.7/10112=8...(7) H LEU 103 - HA SER 107 OK 14 100 - 14 - 7463/3.0=6, 7552/3.0=4...(4) H ASN 120 - HA SER 107 lone 6 96 - 6 - 3.8/10286=3, 7552/3.0=1 HD22 ASN 85 - HA SER 107 lone 3 100 - 3 - Peak 3504 from cnoeabs.peaks (8.23, 3.92, 63.62 ppm; 3.18 A): 3 out of 3 assignments used, quality = 0.81: * H SER 107 + HB2 SER 107 OK 73 100 - 74 - 4.1=48, 3.0/3501=25...(6) H SER 33 + HB2 SER 107 OK 19 99 - 19 - 4.4/10107=6, 3509/1.8=5...(6) H LYS 31 + HB2 SER 107 OK 10 100 - 10 - 3509/1.8=3, 3499/3.0=2...(5) Peak 3505 from cnoeabs.peaks (4.39, 3.92, 63.62 ppm; 2.92 A): 1 out of 5 assignments used, quality = 0.94: * HA SER 107 + HB2 SER 107 OK 94 100 - 94 - 3.0=90, 3.0/7550=18...(7) HA SER 33 - HB2 SER 107 poor 9 65 - 13 - 3.0/3504=4, 3510/1.8=2...(6) HA CYS 73 - HB2 SER 107 lone 4 98 - 4 - 3510/1.8=1 HA ASP 78 - HB2 SER 107 lone 1 96 - 1 - HA SER 9 - HB2 SER 107 lone 1 87 - 1 - Peak 3506 from cnoeabs.peaks (3.92, 3.92, 63.62 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 107 + HB2 SER 107 OK 100 100 - 100 Peak 3507 from cnoeabs.peaks (3.96, 3.92, 63.62 ppm; 2.50 A): 1 out of 7 assignments used, quality = 1.00: * HB3 SER 107 + HB2 SER 107 OK 100 100 - 100 - 1.8=100 HB2 SER 106 - HB2 SER 107 OK 12 87 - 14 - 4.5/7550=7, 3502/3.0=3...(4) HA2 GLY 17 - HB2 SER 107 lone 8 100 - 8 - 4.7/10109=4, 4.9/10676=2 HA3 GLY 17 - HB2 SER 107 lone 8 100 - 8 - 4.7/10109=4, 4.9/10676=2 HA LEU 100 - HB2 SER 107 lone 6 100 - 6 - 3.0/10107=2 HD3 PRO 117 - HB2 SER 107 lone 2 73 - 3 - HA GLN 127 - HB2 SER 107 lone 1 65 - 1 - Peak 3508 from cnoeabs.peaks (8.08, 3.92, 63.62 ppm; 6.80 A): 2 out of 5 assignments used, quality = 1.00: * H ALA 108 + HB2 SER 107 OK 100 100 - 100 - 4.7=100 H ALA 109 + HB2 SER 107 OK 65 99 - 66 - 4.6/7556=39, 3503/3.0=13...(6) H LEU 103 - HB2 SER 107 OK 29 100 - 29 - 3513/1.8=11, ~7445=7...(4) HD22 ASN 85 - HB2 SER 107 lone 9 100 - 8 - 9810/10111=2, 3513/1.8=1 H ASN 120 - HB2 SER 107 lone 8 96 - 8 - 3503/3.0=2, 7552/4.1=2 Peak 3509 from cnoeabs.peaks (8.23, 3.96, 63.62 ppm; 3.67 A): 3 out of 3 assignments used, quality = 0.94: * H SER 107 + HB3 SER 107 OK 91 100 - 91 - 4.1=73, 7550/1.8=36...(8) H SER 33 + HB3 SER 107 OK 21 99 - 21 - 3504/1.8=8, 3499/3.0=6...(6) H LYS 31 + HB3 SER 107 OK 13 100 - 12 - 3504/1.8=4, 3499/3.0=3...(4) Peak 3510 from cnoeabs.peaks (4.39, 3.96, 63.62 ppm; 3.65 A): 1 out of 5 assignments used, quality = 1.00: * HA SER 107 + HB3 SER 107 OK 100 100 - 100 - 3.0=100 HA SER 33 - HB3 SER 107 OK 13 65 - 20 - 3.0/3509=5, 3505/1.8=4...(7) HA CYS 73 - HB3 SER 107 lone 6 98 - 6 - 3505/1.8=1 HA ASP 78 - HB3 SER 107 lone 3 96 - 3 - HA SER 9 - HB3 SER 107 lone 2 87 - 2 - Peak 3511 from cnoeabs.peaks (3.92, 3.96, 63.62 ppm; 2.50 A): 1 out of 4 assignments used, quality = 1.00: * HB2 SER 107 + HB3 SER 107 OK 100 100 - 100 - 1.8=100 HA3 GLY 14 - HB3 SER 107 lone 2 98 - 2 - HA2 GLY 14 - HB3 SER 107 lone 2 96 - 2 - HA2 GLY 111 - HB3 SER 107 lone 1 65 - 1 - Peak 3512 from cnoeabs.peaks (3.96, 3.96, 63.62 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 107 + HB3 SER 107 OK 100 100 - 100 Peak 3513 from cnoeabs.peaks (8.08, 3.96, 63.62 ppm; 4.27 A): 2 out of 5 assignments used, quality = 0.96: * H ALA 108 + HB3 SER 107 OK 94 100 - 94 - 4.7=77, 7556/1.8=37...(6) H LEU 103 + HB3 SER 107 OK 39 100 - 40 - 7463=11, 4.6/7481=5...(11) H ALA 109 - HB3 SER 107 OK 35 99 - 35 - 4.6/7557=15, 3503/3.0=9...(5) H ASN 120 - HB3 SER 107 lone 5 96 - 6 - 3503/3.0=1, 7552/4.1=1 HD22 ASN 85 - HB3 SER 107 lone 5 100 - 5 - Peak 3514 from cnoeabs.peaks (8.08, 4.28, 52.75 ppm; 3.37 A): 2 out of 5 assignments used, quality = 1.00: * H ALA 108 + HA ALA 108 OK 100 100 - 100 - 3.0=100 H ALA 109 + HA ALA 108 OK 88 99 - 88 - 3.6=84, 7564/2.1=11...(9) H ASN 120 - HA ALA 108 OK 11 96 - 11 - ~11474=8, ~3805=2, 3518/2.1=1 H LEU 103 - HA ALA 108 lone 3 100 - 3 - ~3362=1 HD22 ASN 85 - HA ALA 108 lone 2 100 - 2 - Peak 3515 from cnoeabs.peaks (4.28, 4.28, 52.75 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 108 + HA ALA 108 OK 100 100 - 100 Peak 3516 from cnoeabs.peaks (1.38, 4.28, 52.75 ppm; 2.50 A): 1 out of 15 assignments used, quality = 1.00: * QB ALA 108 + HA ALA 108 OK 100 100 - 100 - 2.1=100 QB ALA 109 - HA ALA 108 OK 26 96 - 28 - 3527=7, 2.9/3517=6...(11) QB ALA 110 - HA ALA 108 OK 13 99 - 13 - 7564/3.6=2, 2.9/7570=2...(5) HG2 LYS 36 - HA ALA 108 lone 4 96 - 4 - HG3 LYS 31 - HA ALA 108 lone 3 87 - 4 - QB ALA 15 - HA ALA 108 lone 3 99 - 3 - HB3 LEU 100 - HA ALA 108 lone 3 92 - 3 - HG3 LYS 26 - HA ALA 108 lone 1 98 - 1 - HB2 LEU 96 - HA ALA 108 lone 1 96 - 1 - HG2 LYS 24 - HA ALA 108 lone 1 92 - 1 - QB ALA 28 - HA ALA 108 lone 1 100 - 1 - QB ALA 29 - HA ALA 108 lone 1 96 - 1 - HG3 LYS 95 - HA ALA 108 lone 1 100 - 1 - HG2 LYS 95 - HA ALA 108 lone 1 98 - 1 - HB2 LEU 42 - HA ALA 108 lone 0 87 - 1 - Peak 3517 from cnoeabs.peaks (8.08, 4.28, 52.75 ppm; 3.37 A): 2 out of 5 assignments used, quality = 1.00: H ALA 108 + HA ALA 108 OK 99 99 - 100 - 3.0=100 * H ALA 109 + HA ALA 108 OK 88 100 - 88 - 3.6=84, 7564/2.1=11...(9) H ASN 120 - HA ALA 108 poor 10 87 - 11 - ~11474=8, ~3805=2, 3518/2.1=1 H LEU 103 - HA ALA 108 lone 3 100 - 3 - ~3362=1 HD22 ASN 85 - HA ALA 108 lone 2 100 - 2 - Peak 3518 from cnoeabs.peaks (8.08, 1.38, 19.17 ppm; 2.65 A): 4 out of 25 assignments used, quality = 0.94: * H ALA 108 + QB ALA 108 OK 78 100 - 78 - 2.9=76, 4.6/7564=3...(6) H ALA 109 + QB ALA 108 OK 52 99 - 53 - 3.7=38, 3514/2.1=9...(9) H ALA 109 + QB ALA 110 OK 30 94 - 33 - 7567/2.9=6, 7564=6...(14) H ALA 108 + QB ALA 110 OK 16 95 - 17 - 7559=5, 3526/4.7=3...(5) H ASN 120 - QB ALA 108 lone 6 96 - 7 - ~11474=4, 3514/2.1=1 H ALA 108 - QB ALA 15 lone 4 88 - 4 - 7559=1 H ALA 109 - QB ALA 15 lone 3 86 - 3 - H LEU 103 - QB ALA 108 lone 3 100 - 3 - HD22 ASN 85 - QB ALA 108 lone 1 100 - 1 - H ALA 108 - QB ALA 28 lone 1 63 - 1 - H LEU 103 - QB ALA 110 lone 1 95 - 1 - H LEU 103 - QB ALA 28 lone 1 62 - 1 - H ALA 109 - QB ALA 28 lone 1 61 - 1 - H LEU 103 - QB ALA 29 lone 1 40 - 1 - H ASN 120 - QB ALA 110 lone 0 88 - 0 - H ALA 108 - QB ALA 29 lone 0 40 - 1 - H LEU 103 - QB ALA 15 lone 0 87 - 0 - HD22 ASN 85 - QB ALA 110 lone 0 95 - 0 - H ALA 109 - QB ALA 29 lone 0 39 - 1 - H ASN 120 - QB ALA 15 lone 0 80 - 0 - HD22 ASN 85 - QB ALA 15 lone 0 87 - 0 - H ASN 120 - QB ALA 28 lone 0 56 - 0 - HD22 ASN 85 - QB ALA 28 lone 0 62 - 0 - HD22 ASN 85 - QB ALA 29 lone 0 40 - 0 - H ASN 120 - QB ALA 29 lone 0 35 - 0 - Peak 3519 from cnoeabs.peaks (4.28, 1.38, 19.17 ppm; 2.50 A): 3 out of 70 assignments used, quality = 1.00: * HA ALA 108 + QB ALA 108 OK 100 100 - 100 - 2.1=100 HA ALA 110 + QB ALA 110 OK 73 73 - 100 - 2.1=100 HA ALA 15 + QB ALA 15 OK 58 58 - 100 - 2.1=100 HA ALA 109 - QB ALA 110 OK 34 95 - 36 - 3525/2.9=14, 3524=8...(10) HA ALA 109 - QB ALA 108 OK 29 100 - 29 - 3524=7, 3.0/3521=5...(12) HA ALA 16 - QB ALA 15 OK 22 87 - 26 - 3.0/6124=12, ~201=6...(9) HA ALA 108 - QB ALA 110 OK 14 95 - 15 - 3516=4, 3.6/7564=2...(5) HA ALA 110 - QB ALA 108 OK 10 81 - 13 - 3.0/7573=2, 3532=2...(5) HA LYS 31 - QB ALA 15 lone 9 88 - 10 - 798/2.9=3, 793=2 HA LYS 31 - QB ALA 108 lone 5 100 - 5 - HA LEU 22 - QB ALA 15 lone 4 88 - 5 - 368/2.9=1 HA ARG 23 - QB ALA 15 lone 4 51 - 8 - 10728/2.9=5 HB THR 115 - QB ALA 108 lone 4 98 - 4 - ~11483=2 HA ALA 15 - QB ALA 110 lone 4 66 - 6 - 200=1 HA LYS 36 - QB ALA 108 lone 4 99 - 4 - HA ALA 110 - QB ALA 15 lone 3 64 - 5 - 3532=1, 3.0/7573=1 HA ALA 16 - QB ALA 110 lone 3 95 - 3 - 3.0/6124=1 HA ALA 16 - QB ALA 108 lone 3 100 - 3 - HA ALA 108 - QB ALA 15 lone 3 88 - 3 - HA ALA 109 - QB ALA 15 lone 3 88 - 3 - HA LEU 22 - QB ALA 29 lone 3 40 - 6 - 375/2.9=3, ~383=1 HA LYS 36 - QB ALA 15 lone 2 86 - 2 - HA LYS 36 - QB ALA 110 lone 2 94 - 2 - HA ALA 15 - QB ALA 108 lone 2 73 - 3 - HA LYS 31 - QB ALA 110 lone 2 95 - 2 - HA LEU 22 - QB ALA 28 lone 2 63 - 3 - 375/3.7=2 HA ARG 23 - QB ALA 28 lone 2 34 - 5 - ~10770=2, 416/3.7=1 HB THR 115 - QB ALA 15 lone 2 83 - 2 - HA LYS 26 - QB ALA 28 lone 2 39 - 4 - 3.6/6265=2 HA ALA 16 - QB ALA 28 lone 1 62 - 2 - HA LYS 31 - QB ALA 29 lone 1 40 - 4 - ~6325=1 HA LEU 22 - QB ALA 110 lone 1 95 - 1 - HA LYS 31 - QB ALA 28 lone 1 63 - 2 - HA LYS 26 - QB ALA 15 lone 1 58 - 2 - HA ARG 23 - QB ALA 29 lone 1 21 - 5 - 416/2.9=1 HA LYS 36 - QB ALA 28 lone 1 61 - 2 - HB THR 115 - QB ALA 110 lone 1 92 - 1 - HA LYS 26 - QB ALA 108 lone 1 73 - 1 - HA LEU 22 - QB ALA 108 lone 1 100 - 1 - HA ALA 15 - QB ALA 28 lone 1 39 - 2 - HA LYS 36 - QB ALA 29 lone 1 39 - 2 - HA ARG 23 - QB ALA 110 lone 1 58 - 1 - HA GLN 61 - QB ALA 108 lone 1 96 - 1 - HA ALA 108 - QB ALA 28 lone 1 63 - 1 - HA GLN 61 - QB ALA 110 lone 1 88 - 1 - HA LYS 26 - QB ALA 110 lone 1 66 - 1 - HA LYS 26 - QB ALA 29 lone 1 24 - 2 - HA ALA 16 - QB ALA 29 lone 0 40 - 1 - HB THR 115 - QB ALA 28 lone 0 59 - 1 - HA GLN 61 - QB ALA 15 lone 0 80 - 0 - HA ALA 109 - QB ALA 28 lone 0 63 - 1 - HA ALA 110 - QB ALA 28 lone 0 44 - 1 - HA ALA 15 - QB ALA 29 lone 0 24 - 2 - HA ARG 23 - QB ALA 108 lone 0 65 - 1 - HA ALA 12 - QB ALA 15 lone 0 58 - 1 - HA ALA 108 - QB ALA 29 lone 0 40 - 1 - HA LYS 19 - QB ALA 15 lone 0 44 - 1 - HA LYS 19 - QB ALA 108 lone 0 57 - 0 - HA ALA 12 - QB ALA 110 lone 0 66 - 0 - HA ALA 110 - QB ALA 29 lone 0 27 - 1 - HA LYS 19 - QB ALA 110 lone 0 51 - 0 - HA ALA 109 - QB ALA 29 lone 0 40 - 1 - HA ALA 12 - QB ALA 108 lone 0 73 - 0 - HA LYS 19 - QB ALA 28 lone 0 29 - 1 - HB THR 115 - QB ALA 29 lone 0 37 - 0 - HA GLN 61 - QB ALA 28 lone 0 56 - 0 - HA LYS 19 - QB ALA 29 lone 0 18 - 1 - HA GLN 61 - QB ALA 29 lone 0 35 - 0 - HA ALA 12 - QB ALA 28 lone 0 39 - 0 - HA ALA 12 - QB ALA 29 lone 0 24 - 0 - Peak 3520 from cnoeabs.peaks (1.38, 1.38, 19.17 ppm; diagonal): 4 out of 5 assignments used, quality = 1.00: * QB ALA 108 + QB ALA 108 OK 100 100 - 100 QB ALA 110 + QB ALA 110 OK 94 94 - 100 QB ALA 15 + QB ALA 15 OK 86 86 - 100 QB ALA 28 + QB ALA 28 OK 62 62 - 100 QB ALA 29 - QB ALA 29 OK 35 35 - 100 Peak 3521 from cnoeabs.peaks (8.08, 1.38, 19.17 ppm; 2.65 A): 4 out of 25 assignments used, quality = 0.94: H ALA 108 + QB ALA 108 OK 78 99 - 78 - 2.9=76, 3526/4.6=3...(6) * H ALA 109 + QB ALA 108 OK 53 100 - 53 - 3.7=38, 3517/2.1=9...(9) H ALA 109 + QB ALA 110 OK 31 95 - 33 - 7567/2.9=6, 7564=6...(14) H ALA 108 + QB ALA 110 OK 15 94 - 17 - 7559=5, 3526/4.7=3...(5) H ASN 120 - QB ALA 108 lone 6 87 - 7 - ~11474=4, 3514/2.1=1 H ALA 108 - QB ALA 15 lone 4 86 - 4 - 7559=1 H ALA 109 - QB ALA 15 lone 3 88 - 3 - H LEU 103 - QB ALA 108 lone 3 100 - 3 - HD22 ASN 85 - QB ALA 108 lone 1 100 - 1 - H ALA 108 - QB ALA 28 lone 1 61 - 1 - H LEU 103 - QB ALA 110 lone 1 95 - 1 - H LEU 103 - QB ALA 28 lone 1 62 - 1 - H ALA 109 - QB ALA 28 lone 1 63 - 1 - H LEU 103 - QB ALA 29 lone 1 40 - 1 - H ALA 108 - QB ALA 29 lone 0 39 - 1 - H ASN 120 - QB ALA 110 lone 0 79 - 0 - H LEU 103 - QB ALA 15 lone 0 87 - 0 - HD22 ASN 85 - QB ALA 110 lone 0 95 - 0 - H ALA 109 - QB ALA 29 lone 0 40 - 1 - HD22 ASN 85 - QB ALA 15 lone 0 87 - 0 - H ASN 120 - QB ALA 15 lone 0 70 - 0 - HD22 ASN 85 - QB ALA 28 lone 0 62 - 0 - H ASN 120 - QB ALA 28 lone 0 48 - 0 - HD22 ASN 85 - QB ALA 29 lone 0 40 - 0 - H ASN 120 - QB ALA 29 lone 0 30 - 0 - Peak 3522 from cnoeabs.peaks (8.08, 4.28, 52.35 ppm; 3.75 A): 2 out of 5 assignments used, quality = 1.00: * H ALA 109 + HA ALA 109 OK 100 100 - 100 - 3.0=100 H ALA 108 + HA ALA 109 OK 51 99 - 52 - 3526/2.1=13, 7558=10...(13) H LEU 103 - HA ALA 109 lone 3 100 - 3 - HD22 ASN 85 - HA ALA 109 lone 2 100 - 2 - H ASN 120 - HA ALA 109 lone 2 87 - 2 - Peak 3523 from cnoeabs.peaks (4.28, 4.28, 52.35 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 109 + HA ALA 109 OK 100 100 - 100 Peak 3524 from cnoeabs.peaks (1.39, 4.28, 52.35 ppm; 2.50 A): 1 out of 15 assignments used, quality = 1.00: * QB ALA 109 + HA ALA 109 OK 100 100 - 100 - 2.1=100 QB ALA 110 - HA ALA 109 OK 29 87 - 33 - 2.9/3525=14, ~3529=4...(10) QB ALA 108 - HA ALA 109 OK 25 96 - 26 - 7566/3.0=5, 2.9/3522=4...(12) HG3 LYS 31 - HA ALA 109 lone 4 99 - 3 - QB ALA 15 - HA ALA 109 lone 2 87 - 2 - HG2 LYS 36 - HA ALA 109 lone 2 73 - 3 - HB2 LEU 96 - HA ALA 109 lone 1 73 - 2 - HG LEU 96 - HA ALA 109 lone 1 65 - 2 - HB3 LEU 100 - HA ALA 109 lone 1 65 - 1 - HG3 LYS 26 - HA ALA 109 lone 1 81 - 1 - HG2 LYS 95 - HA ALA 109 lone 1 100 - 1 - HG3 LYS 95 - HA ALA 109 lone 1 98 - 1 - QB ALA 28 - HA ALA 109 lone 0 92 - 0 - HG2 LYS 24 - HA ALA 109 lone 0 65 - 1 - QB ALA 29 - HA ALA 109 lone 0 73 - 0 - Peak 3525 from cnoeabs.peaks (8.30, 4.28, 52.35 ppm; 2.55 A): 2 out of 6 assignments used, quality = 0.61: * H ALA 110 + HA ALA 109 OK 53 100 - 53 - 3.6=37, 3529/2.1=12...(7) H GLY 111 + HA ALA 109 OK 18 99 - 18 - 7577=6, 3529/2.1=5...(5) H LEU 49 - HA ALA 109 lone 1 99 - 1 - H LEU 69 - HA ALA 109 lone 1 99 - 1 - H ALA 21 - HA ALA 109 lone 0 81 - 1 - H SER 99 - HA ALA 109 lone 0 65 - 0 - Peak 3526 from cnoeabs.peaks (8.08, 1.39, 19.38 ppm; 3.16 A): 2 out of 5 assignments used, quality = 1.00: * H ALA 109 + QB ALA 109 OK 100 100 - 100 - 2.9=100 H ALA 108 + QB ALA 109 OK 47 99 - 48 - 7559=10, 7559/4.6=8...(16) H LEU 103 - QB ALA 109 lone 3 100 - 3 - H ASN 120 - QB ALA 109 lone 2 87 - 2 - HD22 ASN 85 - QB ALA 109 lone 1 100 - 1 - Peak 3527 from cnoeabs.peaks (4.28, 1.39, 19.38 ppm; 2.66 A): 1 out of 14 assignments used, quality = 1.00: * HA ALA 109 + QB ALA 109 OK 100 100 - 100 - 2.1=100 HA ALA 108 - QB ALA 109 OK 32 100 - 32 - 3516=8, 3517/2.9=7...(11) HA ALA 110 - QB ALA 109 OK 29 81 - 36 - 3.0/3529=10, ~3525=5...(13) HA LYS 31 - QB ALA 109 lone 6 100 - 6 - 793=2 HA LYS 36 - QB ALA 109 lone 3 99 - 3 - HB THR 115 - QB ALA 109 lone 3 98 - 3 - HA ALA 15 - QB ALA 109 lone 2 73 - 3 - HA ALA 16 - QB ALA 109 lone 2 100 - 2 - HA GLN 61 - QB ALA 109 lone 1 96 - 1 - HA LEU 22 - QB ALA 109 lone 1 100 - 1 - HA LYS 26 - QB ALA 109 lone 1 73 - 1 - HA ARG 23 - QB ALA 109 lone 0 65 - 1 - HA LYS 19 - QB ALA 109 lone 0 57 - 1 - HA ALA 12 - QB ALA 109 lone 0 73 - 0 - Peak 3528 from cnoeabs.peaks (1.39, 1.39, 19.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 109 + QB ALA 109 OK 100 100 - 100 Peak 3529 from cnoeabs.peaks (8.30, 1.39, 19.38 ppm; 3.43 A): 2 out of 6 assignments used, quality = 0.95: * H ALA 110 + QB ALA 109 OK 91 100 - 91 - 3.7=78, 3525/2.1=31...(15) H GLY 111 + QB ALA 109 OK 40 99 - 40 - 3525/2.1=10, 7578/4.7=10...(8) H LEU 49 - QB ALA 109 lone 3 99 - 3 - 7567/2.9=1 H LEU 69 - QB ALA 109 lone 2 99 - 2 - H SER 99 - QB ALA 109 lone 1 65 - 2 - H ALA 21 - QB ALA 109 lone 1 81 - 1 - Peak 3530 from cnoeabs.peaks (8.30, 4.28, 52.70 ppm; 2.71 A): 2 out of 6 assignments used, quality = 0.94: * H ALA 110 + HA ALA 110 OK 85 100 - 85 - 3.0=77, 7573/2.1=14...(10) H GLY 111 + HA ALA 110 OK 58 99 - 59 - 3.6=44, 7578/2.1=15...(6) H LEU 49 - HA ALA 110 lone 2 99 - 2 - H ALA 21 - HA ALA 110 lone 2 81 - 2 - H LEU 69 - HA ALA 110 lone 1 99 - 1 - H SER 99 - HA ALA 110 lone 0 65 - 1 - Peak 3531 from cnoeabs.peaks (4.28, 4.28, 52.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 110 + HA ALA 110 OK 100 100 - 100 Peak 3532 from cnoeabs.peaks (1.38, 4.28, 52.70 ppm; 2.50 A): 1 out of 15 assignments used, quality = 1.00: * QB ALA 110 + HA ALA 110 OK 100 100 - 100 - 2.1=100 QB ALA 109 - HA ALA 110 OK 25 87 - 29 - 3.7/3530=7, ~3525=4...(10) QB ALA 108 - HA ALA 110 OK 11 99 - 11 - 7573/3.0=3, 7578/3.6=2...(4) QB ALA 15 - HA ALA 110 lone 5 100 - 5 - 7573/3.0=1 HG2 LYS 36 - HA ALA 110 lone 1 99 - 1 - HB2 LEU 96 - HA ALA 110 lone 1 99 - 1 - QB ALA 28 - HA ALA 110 lone 1 100 - 1 - HG3 LYS 31 - HA ALA 110 lone 1 73 - 1 - HB3 LEU 100 - HA ALA 110 lone 1 98 - 1 - QB ALA 29 - HA ALA 110 lone 1 99 - 1 - HB2 LEU 42 - HA ALA 110 lone 1 96 - 1 - HG3 LYS 26 - HA ALA 110 lone 1 100 - 1 - HG2 LYS 24 - HA ALA 110 lone 1 98 - 1 - HG3 LYS 95 - HA ALA 110 lone 0 98 - 0 - HG2 LYS 95 - HA ALA 110 lone 0 92 - 0 - Peak 3533 from cnoeabs.peaks (8.30, 4.28, 52.70 ppm; 2.71 A): 2 out of 5 assignments used, quality = 0.93: H ALA 110 + HA ALA 110 OK 84 99 - 85 - 3.0=77, 7573/2.1=14...(10) * H GLY 111 + HA ALA 110 OK 59 100 - 59 - 3.6=44, 7578/2.1=15...(6) H LEU 49 - HA ALA 110 lone 2 100 - 2 - H ALA 21 - HA ALA 110 lone 2 92 - 2 - H LEU 69 - HA ALA 110 lone 1 96 - 1 - Peak 3534 from cnoeabs.peaks (8.30, 1.38, 19.16 ppm; 2.50 A): 4 out of 30 assignments used, quality = 0.92: * H ALA 110 + QB ALA 110 OK 76 100 - 76 - 2.9=62, 7572/2.1=14...(14) H GLY 111 + QB ALA 110 OK 54 99 - 54 - 3.7=30, 7577/2.1=16...(8) H ALA 110 + QB ALA 108 OK 22 95 - 23 - 7573=6, 7567/3.7=5...(7) H GLY 111 + QB ALA 108 OK 12 94 - 13 - 7578=4, 3529/4.6=2...(6) H ALA 110 - QB ALA 15 lone 9 97 - 10 - 7573=3, 11477/4.9=2, 11477/4.9=2 H LEU 49 - QB ALA 110 lone 5 99 - 5 - 4.7/10663=1, 5.0/11488=1 H GLY 111 - QB ALA 15 lone 3 96 - 4 - 7578=1 H ALA 21 - QB ALA 110 lone 2 81 - 3 - 4.3/10714=1 H LEU 49 - QB ALA 108 lone 2 94 - 2 - H LEU 69 - QB ALA 110 lone 2 99 - 2 - H ALA 21 - QB ALA 15 lone 2 75 - 2 - H LEU 69 - QB ALA 15 lone 1 96 - 1 - H LEU 49 - QB ALA 28 lone 1 67 - 1 - H LEU 69 - QB ALA 108 lone 1 94 - 1 - H ALA 110 - QB ALA 28 lone 1 69 - 1 - H LEU 49 - QB ALA 15 lone 1 96 - 1 - H LEU 69 - QB ALA 28 lone 1 67 - 1 - H ALA 110 - QB ALA 29 lone 1 64 - 1 - H SER 99 - QB ALA 110 lone 1 65 - 1 - H SER 99 - QB ALA 108 lone 1 58 - 1 - H GLY 111 - QB ALA 28 lone 1 67 - 1 - H LEU 69 - QB ALA 29 lone 0 62 - 1 - H ALA 21 - QB ALA 108 lone 0 73 - 1 - H GLY 111 - QB ALA 29 lone 0 62 - 1 - H ALA 21 - QB ALA 28 lone 0 49 - 1 - H SER 99 - QB ALA 15 lone 0 60 - 0 - H ALA 21 - QB ALA 29 lone 0 44 - 1 - H LEU 49 - QB ALA 29 lone 0 62 - 0 - H SER 99 - QB ALA 28 lone 0 38 - 0 - H SER 99 - QB ALA 29 lone 0 35 - 1 - Peak 3535 from cnoeabs.peaks (4.28, 1.38, 19.16 ppm; 2.50 A): 3 out of 75 assignments used, quality = 1.00: * HA ALA 110 + QB ALA 110 OK 100 100 - 100 - 2.1=100 HA ALA 15 + QB ALA 15 OK 97 97 - 100 - 2.1=100 HA ALA 108 + QB ALA 108 OK 73 73 - 100 - 2.1=100 HA ALA 109 - QB ALA 110 OK 24 81 - 29 - 3525/2.9=9, 3524=4...(10) HA ALA 109 - QB ALA 108 OK 18 73 - 25 - 3.0/7564=5, 3524=4...(12) HA ALA 16 - QB ALA 15 OK 16 68 - 25 - 3.0/6124=12, ~201=6...(7) HA ARG 23 - QB ALA 15 OK 13 96 - 14 - 10728/2.9=10 HA ALA 110 - QB ALA 108 OK 13 95 - 14 - 3532=4, 3.0/7573=3...(5) HA ALA 108 - QB ALA 110 OK 10 81 - 13 - 3516=3, 3.6/7564=2...(4) HA ALA 15 - QB ALA 110 lone 7 100 - 7 - 200=2 HA LYS 31 - QB ALA 15 lone 7 75 - 9 - 798/2.9=2, 3.0/10790=2 HA ALA 110 - QB ALA 15 lone 6 97 - 6 - 3532=2, 3.0/7573=1 HA ARG 23 - QB ALA 29 lone 4 62 - 7 - 416/2.9=3 HA ARG 23 - QB ALA 28 lone 4 67 - 6 - 416/3.7=2, ~10770=2 HA ALA 15 - QB ALA 108 lone 3 95 - 4 - 200=1 HA LEU 22 - QB ALA 15 lone 3 75 - 4 - HA LYS 31 - QB ALA 108 lone 3 73 - 4 - HA ALA 21 - QB ALA 15 lone 3 81 - 3 - HA LEU 22 - QB ALA 29 lone 2 44 - 5 - 375/2.9=2, ~383=1 HA ALA 21 - QB ALA 110 lone 2 87 - 2 - HA ALA 109 - QB ALA 15 lone 2 75 - 3 - HA ALA 16 - QB ALA 110 lone 2 73 - 3 - 3.0/6124=1 HA ALA 108 - QB ALA 15 lone 2 75 - 2 - HA LYS 36 - QB ALA 108 lone 2 58 - 3 - HA ALA 15 - QB ALA 28 lone 2 69 - 2 - HA LYS 31 - QB ALA 29 lone 2 44 - 4 - ~6325=1 HA THR 25 - QB ALA 28 lone 2 49 - 3 - ~10772=2 HA ALA 16 - QB ALA 108 lone 1 66 - 2 - HA ARG 23 - QB ALA 110 lone 1 99 - 1 - HA ALA 15 - QB ALA 29 lone 1 63 - 2 - HA THR 25 - QB ALA 15 lone 1 75 - 2 - HA LYS 31 - QB ALA 110 lone 1 81 - 2 - HA LYS 36 - QB ALA 110 lone 1 65 - 2 - HA LYS 36 - QB ALA 15 lone 1 60 - 2 - HA LEU 22 - QB ALA 110 lone 1 81 - 1 - HA LEU 22 - QB ALA 28 lone 1 49 - 2 - 375/3.7=1 HA SER 74 - QB ALA 15 lone 1 75 - 1 - HA ALA 12 - QB ALA 15 lone 1 97 - 1 - HA ALA 110 - QB ALA 28 lone 1 69 - 1 - HA THR 25 - QB ALA 110 lone 1 81 - 1 - HA LYS 31 - QB ALA 28 lone 1 49 - 2 - HA ALA 16 - QB ALA 28 lone 1 43 - 2 - HA ARG 23 - QB ALA 108 lone 1 94 - 1 - HA ALA 110 - QB ALA 29 lone 1 64 - 1 - HA GLN 61 - QB ALA 110 lone 1 98 - 1 - HA ALA 12 - QB ALA 110 lone 1 100 - 1 - HA GLN 61 - QB ALA 15 lone 1 94 - 1 - HA LYS 36 - QB ALA 29 lone 1 35 - 2 - HA GLN 61 - QB ALA 108 lone 0 92 - 1 - HA LYS 36 - QB ALA 28 lone 0 38 - 1 - HA LEU 22 - QB ALA 108 lone 0 73 - 1 - HA THR 25 - QB ALA 108 lone 0 73 - 1 - HA THR 25 - QB ALA 29 lone 0 44 - 1 - HA ALA 21 - QB ALA 108 lone 0 79 - 0 - HA THR 18 - QB ALA 29 lone 0 40 - 1 - HA ALA 108 - QB ALA 28 lone 0 49 - 1 - HA ALA 12 - QB ALA 108 lone 0 95 - 0 - HA ALA 108 - QB ALA 29 lone 0 44 - 1 - HA SER 74 - QB ALA 110 lone 0 81 - 0 - HA ALA 109 - QB ALA 28 lone 0 49 - 0 - HA THR 18 - QB ALA 15 lone 0 68 - 0 - HA ALA 21 - QB ALA 29 lone 0 49 - 1 - HA ALA 21 - QB ALA 28 lone 0 54 - 0 - HA ALA 16 - QB ALA 29 lone 0 40 - 1 - HA THR 18 - QB ALA 110 lone 0 73 - 0 - HA ALA 109 - QB ALA 29 lone 0 44 - 0 - HA SER 74 - QB ALA 108 lone 0 73 - 0 - HA SER 74 - QB ALA 28 lone 0 49 - 0 - HA ALA 12 - QB ALA 28 lone 0 69 - 0 - HA THR 18 - QB ALA 108 lone 0 66 - 0 - HA GLN 61 - QB ALA 28 lone 0 65 - 0 - HA GLN 61 - QB ALA 29 lone 0 60 - 0 - HA ALA 12 - QB ALA 29 lone 0 63 - 0 - HA THR 18 - QB ALA 28 lone 0 43 - 0 - HA SER 74 - QB ALA 29 lone 0 44 - 0 - Peak 3536 from cnoeabs.peaks (1.38, 1.38, 19.16 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * QB ALA 110 + QB ALA 110 OK 100 100 - 100 QB ALA 15 + QB ALA 15 OK 97 97 - 100 QB ALA 108 + QB ALA 108 OK 94 94 - 100 QB ALA 28 + QB ALA 28 OK 69 69 - 100 QB ALA 29 + QB ALA 29 OK 62 62 - 100 Peak 3537 from cnoeabs.peaks (8.30, 1.38, 19.16 ppm; 2.50 A): 4 out of 25 assignments used, quality = 0.92: H ALA 110 + QB ALA 110 OK 75 99 - 76 - 2.9=62, 3533/2.1=14...(14) * H GLY 111 + QB ALA 110 OK 54 100 - 54 - 3.7=30, 7577/2.1=16...(8) H ALA 110 + QB ALA 108 OK 21 94 - 23 - 7573=6, 7567/3.7=5...(7) H GLY 111 + QB ALA 108 OK 12 95 - 13 - 7578=4, 3529/4.6=2...(6) H ALA 110 - QB ALA 15 lone 9 96 - 10 - 7573=3, 11477/4.9=2, 11477/4.9=2 H LEU 49 - QB ALA 110 lone 5 100 - 5 - 4.7/10663=1, 5.0/11488=1 H GLY 111 - QB ALA 15 lone 3 97 - 4 - 7578=1 H ALA 21 - QB ALA 110 lone 3 92 - 3 - 4.3/10714=1 H ALA 21 - QB ALA 15 lone 2 86 - 3 - H LEU 49 - QB ALA 108 lone 2 95 - 2 - H LEU 69 - QB ALA 110 lone 2 96 - 2 - H LEU 69 - QB ALA 15 lone 1 90 - 1 - H LEU 49 - QB ALA 28 lone 1 69 - 1 - H LEU 69 - QB ALA 108 lone 1 88 - 1 - H ALA 110 - QB ALA 28 lone 1 67 - 1 - H LEU 49 - QB ALA 15 lone 1 97 - 1 - H ALA 110 - QB ALA 29 lone 1 62 - 1 - H GLY 111 - QB ALA 28 lone 1 69 - 1 - H ALA 21 - QB ALA 108 lone 1 84 - 1 - H LEU 69 - QB ALA 28 lone 1 62 - 1 - H LEU 69 - QB ALA 29 lone 0 57 - 1 - H GLY 111 - QB ALA 29 lone 0 64 - 1 - H ALA 21 - QB ALA 28 lone 0 58 - 1 - H ALA 21 - QB ALA 29 lone 0 53 - 1 - H LEU 49 - QB ALA 29 lone 0 64 - 0 - Peak 3538 from cnoeabs.peaks (8.30, 3.93, 45.11 ppm; 3.25 A): 2 out of 5 assignments used, quality = 1.00: * H GLY 111 + HA2 GLY 111 OK 100 100 - 100 - 3.0=100 H ALA 110 + HA2 GLY 111 OK 51 99 - 51 - 4.5/7579=14, 3542/1.8=11...(11) H LEU 49 - HA2 GLY 111 lone 4 100 - 4 - 3542/1.8=1 H ALA 21 - HA2 GLY 111 lone 2 92 - 2 - H LEU 69 - HA2 GLY 111 lone 1 96 - 1 - Peak 3539 from cnoeabs.peaks (3.93, 3.93, 45.11 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 111 + HA2 GLY 111 OK 100 100 - 100 Peak 3540 from cnoeabs.peaks (3.94, 3.93, 45.11 ppm; 2.50 A): 1 out of 4 assignments used, quality = 1.00: * HA3 GLY 111 + HA2 GLY 111 OK 100 100 - 100 - 1.8=100 HD3 PRO 113 - HA2 GLY 111 OK 26 73 - 35 - 4.8/3541=7, 1.8/3576=5...(16) HB2 SER 51 - HA2 GLY 111 lone 2 98 - 2 - HD3 PRO 117 - HA2 GLY 111 lone 2 81 - 2 - Peak 3541 from cnoeabs.peaks (7.93, 3.93, 45.11 ppm; 3.17 A): 1 out of 1 assignment used, quality = 0.90: * H VAL 112 + HA2 GLY 111 OK 90 100 - 90 - 3.6=71, 3545/1.8=34...(12) Peak 3542 from cnoeabs.peaks (8.30, 3.94, 45.11 ppm; 3.22 A): 2 out of 5 assignments used, quality = 1.00: * H GLY 111 + HA3 GLY 111 OK 100 100 - 100 - 3.0=100 H ALA 110 + HA3 GLY 111 OK 51 99 - 51 - 2.9/10117=16...(10) H LEU 49 - HA3 GLY 111 lone 7 100 - 6 - 3.6/1492=2 H ALA 21 - HA3 GLY 111 lone 2 92 - 2 - H LEU 69 - HA3 GLY 111 lone 2 96 - 2 - Peak 3543 from cnoeabs.peaks (3.93, 3.94, 45.11 ppm; 2.50 A): 1 out of 3 assignments used, quality = 1.00: * HA2 GLY 111 + HA3 GLY 111 OK 100 100 - 100 - 1.8=100 HD3 PRO 113 - HA3 GLY 111 OK 25 87 - 29 - 4.8/3545=7, 7579/3.0=3...(14) HB2 SER 107 - HA3 GLY 111 lone 0 65 - 1 - Peak 3544 from cnoeabs.peaks (3.94, 3.94, 45.11 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 111 + HA3 GLY 111 OK 100 100 - 100 Peak 3545 from cnoeabs.peaks (7.93, 3.94, 45.11 ppm; 3.21 A): 1 out of 1 assignment used, quality = 0.90: * H VAL 112 + HA3 GLY 111 OK 90 100 - 90 - 3.6=73, 3541/1.8=35...(10) Peak 3546 from cnoeabs.peaks (7.93, 4.42, 59.99 ppm; 3.64 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 112 + HA VAL 112 OK 100 100 - 100 - 3.0=100 Peak 3547 from cnoeabs.peaks (4.42, 4.42, 59.99 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 112 + HA VAL 112 OK 100 100 - 100 Peak 3548 from cnoeabs.peaks (2.12, 4.42, 59.99 ppm; 3.39 A): 1 out of 2 assignments used, quality = 1.00: * HB VAL 112 + HA VAL 112 OK 100 100 - 100 - 3.0=100 HG3 GLU 91 - HA VAL 112 lone 2 65 - 3 - Peak 3549 from cnoeabs.peaks (0.92, 4.42, 59.99 ppm; 3.11 A): 1 out of 3 assignments used, quality = 0.98: * QG2 VAL 112 + HA VAL 112 OK 98 100 - 98 - 3.2=92, 2.1/3550=27...(15) QD1 LEU 123 - HA VAL 112 OK 29 96 - 31 - 7588/3.0=4, 3554/3.0=4...(12) QD1 LEU 48 - HA VAL 112 lone 8 100 - 8 - 3554/3.0=2, 7588/3.0=1 Peak 3550 from cnoeabs.peaks (0.97, 4.42, 59.99 ppm; 2.97 A): 1 out of 4 assignments used, quality = 0.95: * QG1 VAL 112 + HA VAL 112 OK 95 100 - 95 - 3.2=80, 2.1/3549=21...(15) QD2 LEU 53 - HA VAL 112 OK 18 100 - 18 - 3555/3.0=3, 2.1/11494=2...(9) QG2 VAL 126 - HA VAL 112 lone 2 96 - 2 - QG1 VAL 105 - HA VAL 112 lone 1 73 - 2 - Peak 3551 from cnoeabs.peaks (7.93, 2.12, 32.23 ppm; 3.21 A): 1 out of 1 assignment used, quality = 0.91: * H VAL 112 + HB VAL 112 OK 91 100 - 91 - 3.7=63, 3556/2.1=36...(11) Peak 3552 from cnoeabs.peaks (4.42, 2.12, 32.23 ppm; 3.41 A): 1 out of 5 assignments used, quality = 1.00: * HA VAL 112 + HB VAL 112 OK 100 100 - 100 - 3.0=100 HA MET 11 - HB VAL 112 OK 20 100 - 20 - 3562/2.1=4, 3557/2.1=4...(8) HA THR 54 - HB VAL 112 OK 18 99 - 18 - 3562/2.1=4, 3557/2.1=4...(7) HA ASN 120 - HB VAL 112 lone 10 98 - 10 - 3557/2.1=3, 3562/2.1=2 HA ASP 71 - HB VAL 112 lone 4 87 - 4 - Peak 3553 from cnoeabs.peaks (2.12, 2.12, 32.23 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB VAL 112 + HB VAL 112 OK 100 100 - 100 Peak 3554 from cnoeabs.peaks (0.92, 2.12, 32.23 ppm; 2.88 A): 1 out of 3 assignments used, quality = 1.00: * QG2 VAL 112 + HB VAL 112 OK 100 100 - 100 - 2.1=100 QD1 LEU 123 - HB VAL 112 OK 19 96 - 20 - 3549/3.0=4, 3564/2.1=4...(9) QD1 LEU 48 - HB VAL 112 lone 8 100 - 7 - 3564/2.1=2, 3549/3.0=1 Peak 3555 from cnoeabs.peaks (0.97, 2.12, 32.23 ppm; 2.81 A): 1 out of 4 assignments used, quality = 1.00: * QG1 VAL 112 + HB VAL 112 OK 100 100 - 100 - 2.1=100 QD2 LEU 53 - HB VAL 112 OK 13 100 - 13 - 3560/2.1=3, 3550/3.0=3...(8) QG2 VAL 126 - HB VAL 112 lone 2 96 - 2 - QG1 VAL 105 - HB VAL 112 lone 1 73 - 1 - Peak 3556 from cnoeabs.peaks (7.93, 0.92, 20.16 ppm; 2.86 A): 1 out of 1 assignment used, quality = 0.80: * H VAL 112 + QG2 VAL 112 OK 80 100 - 80 - 7588=39, 7587/2.1=26...(11) Peak 3557 from cnoeabs.peaks (4.42, 0.92, 20.16 ppm; 3.04 A): 1 out of 5 assignments used, quality = 0.97: * HA VAL 112 + QG2 VAL 112 OK 97 100 - 97 - 3.2=86, 3550/2.1=26...(15) HA MET 11 - QG2 VAL 112 OK 17 100 - 17 - 3562/2.1=4, 3552/2.1=4...(7) HA THR 54 - QG2 VAL 112 OK 16 99 - 16 - 3562/2.1=3, 3552/2.1=3...(6) HA ASN 120 - QG2 VAL 112 OK 11 98 - 11 - 3562/2.1=2, 3552/2.1=2 HA ASP 71 - QG2 VAL 112 lone 3 87 - 3 - Peak 3558 from cnoeabs.peaks (2.12, 0.92, 20.16 ppm; 2.74 A): 1 out of 2 assignments used, quality = 1.00: * HB VAL 112 + QG2 VAL 112 OK 100 100 - 100 - 2.1=100 HG3 GLU 91 - QG2 VAL 112 lone 1 65 - 2 - Peak 3559 from cnoeabs.peaks (0.92, 0.92, 20.16 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 112 + QG2 VAL 112 OK 100 100 - 100 Peak 3560 from cnoeabs.peaks (0.97, 0.92, 20.16 ppm; 2.50 A): 1 out of 4 assignments used, quality = 1.00: * QG1 VAL 112 + QG2 VAL 112 OK 100 100 - 100 - 2.1=100 QD2 LEU 53 - QG2 VAL 112 OK 11 100 - 11 - 3555/2.1=3, 3550/3.2=2...(4) QG2 VAL 126 - QG2 VAL 112 lone 2 96 - 2 - QG1 VAL 105 - QG2 VAL 112 lone 1 73 - 1 - Peak 3561 from cnoeabs.peaks (7.93, 0.97, 20.69 ppm; 3.68 A): 1 out of 1 assignment used, quality = 0.97: * H VAL 112 + QG1 VAL 112 OK 97 100 - 97 - 4.0=78, 3556/2.1=43...(11) Peak 3562 from cnoeabs.peaks (4.42, 0.97, 20.69 ppm; 3.18 A): 1 out of 5 assignments used, quality = 1.00: * HA VAL 112 + QG1 VAL 112 OK 100 100 - 100 - 3.2=98, 3549/2.1=24...(15) HA MET 11 - QG1 VAL 112 OK 19 100 - 19 - 3557/2.1=4, 3552/2.1=4...(7) HA THR 54 - QG1 VAL 112 OK 18 99 - 18 - 3557/2.1=4, 3552/2.1=3...(7) HA ASN 120 - QG1 VAL 112 lone 9 98 - 9 - 3557/2.1=3, 3552/2.1=2 HA ASP 71 - QG1 VAL 112 lone 3 87 - 4 - Peak 3563 from cnoeabs.peaks (2.12, 0.97, 20.69 ppm; 2.89 A): 1 out of 2 assignments used, quality = 1.00: * HB VAL 112 + QG1 VAL 112 OK 100 100 - 100 - 2.1=100 HG3 GLU 91 - QG1 VAL 112 lone 2 65 - 3 - Peak 3564 from cnoeabs.peaks (0.92, 0.97, 20.69 ppm; 2.50 A): 1 out of 3 assignments used, quality = 1.00: * QG2 VAL 112 + QG1 VAL 112 OK 100 100 - 100 - 2.1=100 QD1 LEU 123 - QG1 VAL 112 OK 14 96 - 14 - 3554/2.1=3, 3549/3.2=3...(5) QD1 LEU 48 - QG1 VAL 112 lone 6 100 - 6 - 3554/2.1=1 Peak 3565 from cnoeabs.peaks (0.97, 0.97, 20.69 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 112 + QG1 VAL 112 OK 100 100 - 100 Peak 3566 from cnoeabs.peaks (4.42, 3.70, 50.95 ppm; 3.20 A): 2 out of 5 assignments used, quality = 0.94: * HA VAL 112 + HD2 PRO 113 OK 92 100 - 92 - 3.8=61, 3.0/10130=21...(17) HA MET 11 + HD2 PRO 113 OK 27 100 - 27 - 3568/1.8=6, 128/2.3=4...(11) HA THR 54 - HD2 PRO 113 OK 23 99 - 24 - 9269/2.3=6, 3568/1.8=5...(9) HA ASN 120 - HD2 PRO 113 lone 9 98 - 9 - 3568/1.8=2, 3557/4.4=1 HA ASP 71 - HD2 PRO 113 lone 3 87 - 3 - Peak 3567 from cnoeabs.peaks (3.70, 4.42, 59.99 ppm; 2.98 A): 1 out of 1 assignment used, quality = 0.87: * HD2 PRO 113 + HA VAL 112 OK 87 100 - 87 - 3.8=50, 1.8/3568=18...(17) Peak 3568 from cnoeabs.peaks (4.42, 3.94, 50.95 ppm; 3.19 A): 1 out of 5 assignments used, quality = 0.94: * HA VAL 112 + HD3 PRO 113 OK 94 100 - 94 - 3.8=60, 3567/1.8=37...(17) HA MET 11 - HD3 PRO 113 OK 27 100 - 27 - 3566/1.8=6, 128/2.3=4...(11) HA THR 54 - HD3 PRO 113 OK 23 99 - 23 - 9269/2.3=6, 3566/1.8=5...(9) HA ASN 120 - HD3 PRO 113 lone 9 98 - 9 - 3566/1.8=2, 3557/4.4=1 HA ASP 71 - HD3 PRO 113 lone 3 87 - 3 - Peak 3569 from cnoeabs.peaks (3.94, 4.42, 59.99 ppm; 2.89 A): 3 out of 4 assignments used, quality = 0.96: * HD3 PRO 113 + HA VAL 112 OK 87 100 - 87 - 3.8=45, 1.8/3567=32...(17) HA2 GLY 111 + HA VAL 112 OK 53 87 - 61 - 4.8=21, 3541/3.0=16...(13) HA3 GLY 111 + HA VAL 112 OK 42 73 - 57 - 4.8=21, 3545/3.0=12...(13) HB2 SER 51 - HA VAL 112 lone 3 92 - 3 - Peak 3570 from cnoeabs.peaks (4.37, 3.70, 50.95 ppm; 4.49 A): 2 out of 2 assignments used, quality = 1.00: * HA PRO 113 + HD2 PRO 113 OK 100 100 - 100 - 3.6=100 HA PRO 117 + HD2 PRO 113 OK 50 92 - 54 - 3578/1.8=13, 3618/2.3=13...(9) Peak 3571 from cnoeabs.peaks (1.91, 3.70, 50.95 ppm; 3.69 A): 1 out of 6 assignments used, quality = 1.00: * HB2 PRO 113 + HD2 PRO 113 OK 100 100 - 100 - 3.0=100 HB2 ARG 90 - HD2 PRO 113 OK 45 98 - 46 - 3619/2.3=8, 3611/2.3=8...(12) HB3 LEU 49 - HD2 PRO 113 OK 23 87 - 27 - 3579/1.8=4, 3619/2.3=4...(11) HB3 LEU 123 - HD2 PRO 113 OK 20 56 - 36 - 3.2/10137=16, ~10139=9...(9) HB3 ARG 84 - HD2 PRO 113 lone 8 87 - 9 - 3579/1.8=2, 3611/2.3=1...(5) HB2 ARG 135 - HD2 PRO 113 lone 3 73 - 4 - Peak 3572 from cnoeabs.peaks (2.27, 3.70, 50.95 ppm; 4.69 A): 2 out of 5 assignments used, quality = 1.00: * HB3 PRO 113 + HD2 PRO 113 OK 100 100 - 100 - 3.0=100 HG2 GLU 97 + HD2 PRO 113 OK 63 98 - 64 - ~11512=26, 3580/1.8=12...(10) HB VAL 132 - HD2 PRO 113 OK 28 87 - 33 - 3612/2.3=5, 3580/1.8=5...(10) HG2 GLN 61 - HD2 PRO 113 poor 9 81 - 11 - 3580/1.8=2, 3612/2.3=2...(6) HB VAL 105 - HD2 PRO 113 lone 6 65 - 9 - 3580/1.8=1, 3612/2.3=1 Peak 3573 from cnoeabs.peaks (1.93, 3.70, 50.95 ppm; 3.56 A): 2 out of 5 assignments used, quality = 1.00: * HG2 PRO 113 + HD2 PRO 113 OK 100 100 - 100 - 2.3=100 HG LEU 53 + HD2 PRO 113 OK 48 96 - 51 - ~9256=9, 3581/1.8=8...(14) HB2 MET 11 - HD2 PRO 113 OK 21 65 - 33 - 3.0/3566=5, 3581/1.8=4...(15) HB2 LYS 95 - HD2 PRO 113 OK 19 92 - 20 - 3581/1.8=3, 3621/2.3=3...(9) HB3 LYS 95 - HD2 PRO 113 OK 13 73 - 18 - 3581/1.8=2, ~3581=2...(9) Peak 3574 from cnoeabs.peaks (2.06, 3.70, 50.95 ppm; 3.51 A): 1 out of 7 assignments used, quality = 1.00: * HG3 PRO 113 + HD2 PRO 113 OK 100 100 - 100 - 2.3=100 HG2 PRO 117 - HD2 PRO 113 OK 24 81 - 29 - 3.8/3570=5, 3606/3.0=5...(8) HB VAL 118 - HD2 PRO 113 OK 17 96 - 18 - 11542/3.6=4, 3582/1.8=3...(5) HB2 LEU 62 - HD2 PRO 113 OK 14 96 - 14 - 3582/1.8=3, 3614/2.3=2...(6) HB3 GLN 27 - HD2 PRO 113 OK 13 100 - 13 - 3582/1.8=3, 3614/2.3=2...(5) HB2 GLN 127 - HD2 PRO 113 OK 10 96 - 10 - 3582/1.8=2, 3614/2.3=2...(5) HG3 PRO 81 - HD2 PRO 113 lone 2 65 - 2 - Peak 3575 from cnoeabs.peaks (3.70, 3.70, 50.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 113 + HD2 PRO 113 OK 100 100 - 100 Peak 3576 from cnoeabs.peaks (3.94, 3.70, 50.95 ppm; 2.88 A): 1 out of 4 assignments used, quality = 1.00: * HD3 PRO 113 + HD2 PRO 113 OK 100 100 - 100 - 1.8=100 HA2 GLY 111 - HD2 PRO 113 OK 43 87 - 50 - 4.8/3567=10, 3541/4.8=8...(18) HA3 GLY 111 - HD2 PRO 113 OK 32 73 - 44 - 4.8/3567=10, 3545/4.8=6...(16) HB2 SER 51 - HD2 PRO 113 lone 6 92 - 7 - 3624/2.3=1 Peak 3577 from cnoeabs.peaks (8.57, 3.70, 50.95 ppm; 6.12 A): 2 out of 2 assignments used, quality = 0.99: * H GLY 114 + HD2 PRO 113 OK 98 100 - 98 - 7596=50, 7591/3.6=43...(14) H ARG 90 + HD2 PRO 113 OK 75 99 - 76 - 3601/3.0=20, 3625/2.3=19...(10) Peak 3578 from cnoeabs.peaks (4.37, 3.94, 50.95 ppm; 4.27 A): 2 out of 2 assignments used, quality = 1.00: * HA PRO 113 + HD3 PRO 113 OK 100 100 - 100 - 3.6=100 HA PRO 117 + HD3 PRO 113 OK 46 92 - 50 - 3618/2.3=12, 3570/1.8=12...(8) Peak 3579 from cnoeabs.peaks (1.91, 3.94, 50.95 ppm; 3.89 A): 1 out of 6 assignments used, quality = 1.00: * HB2 PRO 113 + HD3 PRO 113 OK 100 100 - 100 - 3.0=100 HB2 ARG 90 - HD3 PRO 113 OK 44 98 - 46 - 3571/1.8=9, 3619/2.3=8...(10) HB3 LEU 49 - HD3 PRO 113 OK 25 87 - 29 - 3571/1.8=5, 3611/2.3=4...(12) HB3 LEU 123 - HD3 PRO 113 OK 21 56 - 38 - 3.2/10139=16, ~10137=11...(9) HB3 ARG 84 - HD3 PRO 113 lone 9 87 - 10 - 3571/1.8=2, 3611/2.3=1...(5) HB2 ARG 135 - HD3 PRO 113 lone 4 73 - 5 - Peak 3580 from cnoeabs.peaks (2.27, 3.94, 50.95 ppm; 4.91 A): 2 out of 5 assignments used, quality = 1.00: * HB3 PRO 113 + HD3 PRO 113 OK 100 100 - 100 - 3.0=100 HG2 GLU 97 + HD3 PRO 113 OK 70 98 - 72 - 2.9/11512=40...(9) HB VAL 132 - HD3 PRO 113 OK 29 87 - 33 - 3572/1.8=6, 3612/2.3=5...(9) HG2 GLN 61 - HD3 PRO 113 OK 12 81 - 14 - 4.5/10984=3, 3572/1.8=2...(7) HB VAL 105 - HD3 PRO 113 lone 7 65 - 10 - 3572/1.8=1, 3612/2.3=1...(4) Peak 3581 from cnoeabs.peaks (1.93, 3.94, 50.95 ppm; 3.67 A): 2 out of 5 assignments used, quality = 1.00: * HG2 PRO 113 + HD3 PRO 113 OK 100 100 - 100 - 2.3=100 HG LEU 53 + HD3 PRO 113 OK 49 96 - 52 - ~9256=10, 3573/1.8=9...(13) HB2 MET 11 - HD3 PRO 113 OK 22 65 - 34 - 3.0/3568=5, 3573/1.8=4...(15) HB2 LYS 95 - HD3 PRO 113 OK 19 92 - 20 - 3573/1.8=4, 3621/2.3=3...(9) HB3 LYS 95 - HD3 PRO 113 OK 14 73 - 19 - 3573/1.8=3, ~3573=2...(9) Peak 3582 from cnoeabs.peaks (2.06, 3.94, 50.95 ppm; 3.34 A): 1 out of 7 assignments used, quality = 1.00: * HG3 PRO 113 + HD3 PRO 113 OK 100 100 - 100 - 2.3=100 HG2 PRO 117 - HD3 PRO 113 OK 21 81 - 27 - 3.8/3578=5, 3606/3.0=5...(8) HB VAL 118 - HD3 PRO 113 OK 16 96 - 16 - 11542/3.6=4, 3574/1.8=3...(5) HB2 LEU 62 - HD3 PRO 113 OK 12 96 - 13 - 3574/1.8=3, 3614/2.3=2...(5) HB3 GLN 27 - HD3 PRO 113 OK 12 100 - 12 - 3574/1.8=2, 3614/2.3=2...(5) HB2 GLN 127 - HD3 PRO 113 lone 9 96 - 9 - 3574/1.8=2, 3614/2.3=2...(4) HG3 PRO 81 - HD3 PRO 113 lone 1 65 - 2 - Peak 3583 from cnoeabs.peaks (3.70, 3.94, 50.95 ppm; 2.90 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 113 + HD3 PRO 113 OK 100 100 - 100 - 1.8=100 Peak 3584 from cnoeabs.peaks (3.94, 3.94, 50.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 113 + HD3 PRO 113 OK 100 100 - 100 Peak 3586 from cnoeabs.peaks (4.37, 4.37, 63.85 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PRO 113 + HA PRO 113 OK 100 100 - 100 Peak 3587 from cnoeabs.peaks (1.91, 4.37, 63.85 ppm; 3.29 A): 1 out of 6 assignments used, quality = 1.00: * HB2 PRO 113 + HA PRO 113 OK 100 100 - 100 - 2.3=100 HB2 ARG 90 - HA PRO 113 OK 38 98 - 39 - 3603/2.3=7, 7592/3.6=6...(11) HB3 LEU 49 - HA PRO 113 OK 16 87 - 19 - 3603/2.3=3, 3571/3.6=2...(11) HB3 LEU 123 - HA PRO 113 poor 8 56 - 14 - 3.2/11506=5, 3571/3.6=2...(6) HB3 ARG 84 - HA PRO 113 lone 6 87 - 7 - 3603/2.3=1 HB2 ARG 135 - HA PRO 113 lone 3 73 - 3 - Peak 3588 from cnoeabs.peaks (2.27, 4.37, 63.85 ppm; 3.14 A): 1 out of 5 assignments used, quality = 1.00: * HB3 PRO 113 + HA PRO 113 OK 100 100 - 100 - 2.3=100 HG2 GLU 97 - HA PRO 113 OK 27 98 - 28 - 3596/2.3=7, 3612/3.8=4...(9) HB VAL 132 - HA PRO 113 OK 15 87 - 18 - 7593/3.6=3, 3596/2.3=3...(9) HG2 GLN 61 - HA PRO 113 lone 4 81 - 5 - 3596/2.3=1 HB VAL 105 - HA PRO 113 lone 3 65 - 4 - Peak 3589 from cnoeabs.peaks (1.93, 4.37, 63.85 ppm; 3.31 A): 3 out of 5 assignments used, quality = 0.85: * HG2 PRO 113 + HA PRO 113 OK 71 100 - 71 - 3.8=64, 7594/3.6=12...(4) HG LEU 53 + HA PRO 113 OK 39 96 - 41 - ~9256=9, 3597/2.3=8...(9) HB2 LYS 95 + HA PRO 113 OK 14 92 - 15 - 3605/2.3=3, 3597/2.3=3...(8) HB2 MET 11 - HA PRO 113 poor 10 65 - 15 - 3605/2.3=3, 3597/2.3=2...(8) HB3 LYS 95 - HA PRO 113 poor 9 73 - 12 - 3605/2.3=2, 3597/2.3=2...(7) Peak 3590 from cnoeabs.peaks (2.06, 4.37, 63.85 ppm; 4.02 A): 1 out of 7 assignments used, quality = 1.00: * HG3 PRO 113 + HA PRO 113 OK 100 100 - 100 - 3.8=100 HG2 PRO 117 - HA PRO 113 OK 42 81 - 52 - 2.3/3703=9, 2.3/3695=9...(12) HB VAL 118 - HA PRO 113 OK 22 96 - 24 - 11542=4, 3606/2.3=4...(8) HB3 GLN 27 - HA PRO 113 OK 14 100 - 14 - 3606/2.3=3, 3598/2.3=3...(6) HB2 LEU 62 - HA PRO 113 OK 13 96 - 14 - 3606/2.3=3, 3598/2.3=3...(6) HB2 GLN 127 - HA PRO 113 OK 11 96 - 11 - 3606/2.3=2, 3598/2.3=2...(6) HG3 PRO 81 - HA PRO 113 lone 3 65 - 5 - Peak 3591 from cnoeabs.peaks (3.70, 4.37, 63.85 ppm; 4.62 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 113 + HA PRO 113 OK 100 100 - 100 - 3.6=100 Peak 3592 from cnoeabs.peaks (3.94, 4.37, 63.85 ppm; 4.17 A): 2 out of 4 assignments used, quality = 1.00: * HD3 PRO 113 + HA PRO 113 OK 100 100 - 100 - 3.6=100 HA2 GLY 111 + HA PRO 113 OK 53 87 - 61 - 3.6/10154=23, 3600/2.3=9...(11) HA3 GLY 111 - HA PRO 113 OK 41 73 - 57 - 3.6/10154=23, 3600/2.3=7...(10) HB2 SER 51 - HA PRO 113 lone 9 92 - 9 - 3600/2.3=2, 3608/2.3=2...(5) Peak 3593 from cnoeabs.peaks (8.57, 4.37, 63.85 ppm; 2.91 A): 2 out of 2 assignments used, quality = 0.86: * H GLY 114 + HA PRO 113 OK 82 100 - 82 - 3.6=54, 2.9/11516=15...(10) H ARG 90 + HA PRO 113 OK 25 99 - 25 - 7217/2.3=7, 3609/2.3=5...(8) Peak 3594 from cnoeabs.peaks (4.37, 1.91, 31.81 ppm; 3.68 A): 2 out of 2 assignments used, quality = 1.00: * HA PRO 113 + HB2 PRO 113 OK 100 100 - 100 - 2.3=100 HA PRO 117 + HB2 PRO 113 OK 45 92 - 49 - 3602/1.8=11, 3618/2.3=9...(11) Peak 3595 from cnoeabs.peaks (1.91, 1.91, 31.81 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 113 + HB2 PRO 113 OK 100 100 - 100 Peak 3596 from cnoeabs.peaks (2.27, 1.91, 31.81 ppm; 2.78 A): 1 out of 5 assignments used, quality = 1.00: * HB3 PRO 113 + HB2 PRO 113 OK 100 100 - 100 - 1.8=100 HG2 GLU 97 - HB2 PRO 113 OK 29 98 - 30 - 3620/2.3=5, ~11512=5...(10) HB VAL 132 - HB2 PRO 113 OK 13 87 - 15 - 3588/2.3=2, 3620/2.3=2...(9) HG2 GLN 61 - HB2 PRO 113 lone 4 81 - 5 - HB VAL 105 - HB2 PRO 113 lone 3 65 - 4 - Peak 3597 from cnoeabs.peaks (1.93, 1.91, 31.81 ppm; 2.61 A): 1 out of 5 assignments used, quality = 1.00: * HG2 PRO 113 + HB2 PRO 113 OK 100 100 - 100 - 2.3=100 HG LEU 53 - HB2 PRO 113 OK 32 96 - 34 - 3605/1.8=6, ~9256=5...(11) HB2 LYS 95 - HB2 PRO 113 OK 12 92 - 13 - 3605/1.8=2, 3589/2.3=2...(5) HB2 MET 11 - HB2 PRO 113 OK 10 65 - 16 - 3605/1.8=2, 3621/2.3=2...(8) HB3 LYS 95 - HB2 PRO 113 poor 9 73 - 11 - 3605/1.8=2, 3621/2.3=1...(5) Peak 3598 from cnoeabs.peaks (2.06, 1.91, 31.81 ppm; 2.91 A): 1 out of 7 assignments used, quality = 1.00: * HG3 PRO 113 + HB2 PRO 113 OK 100 100 - 100 - 2.3=100 HG2 PRO 117 - HB2 PRO 113 OK 26 81 - 32 - 3606/1.8=5, 3.8/3594=4...(13) HB VAL 118 - HB2 PRO 113 OK 13 96 - 14 - 11542/2.3=3, 3606/1.8=3...(6) HB2 LEU 62 - HB2 PRO 113 OK 10 96 - 11 - 3606/1.8=2, 3614/2.3=2...(5) HB3 GLN 27 - HB2 PRO 113 lone 10 100 - 10 - 3606/1.8=2, 3614/2.3=2...(5) HB2 GLN 127 - HB2 PRO 113 lone 8 96 - 8 - 3606/1.8=1, 3614/2.3=1...(4) HG3 PRO 81 - HB2 PRO 113 lone 1 65 - 2 - Peak 3599 from cnoeabs.peaks (3.70, 1.91, 31.81 ppm; 4.24 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 113 + HB2 PRO 113 OK 100 100 - 100 - 3.0=100 Peak 3600 from cnoeabs.peaks (3.94, 1.91, 31.81 ppm; 4.06 A): 2 out of 4 assignments used, quality = 1.00: * HD3 PRO 113 + HB2 PRO 113 OK 100 100 - 100 - 3.0=100 HA2 GLY 111 + HB2 PRO 113 OK 53 87 - 61 - 3624/2.3=10, 3576/3.0=10...(15) HA3 GLY 111 - HB2 PRO 113 OK 42 73 - 57 - 3624/2.3=8, 3608/1.8=7...(14) HB2 SER 51 - HB2 PRO 113 OK 11 92 - 12 - 3616/2.3=2, 3608/1.8=2...(7) Peak 3601 from cnoeabs.peaks (8.57, 1.91, 31.81 ppm; 4.43 A): 2 out of 2 assignments used, quality = 1.00: * H GLY 114 + HB2 PRO 113 OK 100 100 - 100 - 3.9=100 H ARG 90 + HB2 PRO 113 OK 71 99 - 72 - 7217=16, 3609/1.8=14...(15) Peak 3602 from cnoeabs.peaks (4.37, 2.27, 31.81 ppm; 3.23 A): 1 out of 2 assignments used, quality = 1.00: * HA PRO 113 + HB3 PRO 113 OK 100 100 - 100 - 2.3=100 HA PRO 117 - HB3 PRO 113 OK 37 92 - 40 - 3594/1.8=9, 3618/2.3=7...(11) Peak 3603 from cnoeabs.peaks (1.91, 2.27, 31.81 ppm; 2.60 A): 1 out of 6 assignments used, quality = 1.00: * HB2 PRO 113 + HB3 PRO 113 OK 100 100 - 100 - 1.8=100 HB2 ARG 90 - HB3 PRO 113 OK 29 98 - 30 - 3619/2.3=4, 3611/2.3=4...(11) HB3 LEU 49 - HB3 PRO 113 OK 13 87 - 15 - 3619/2.3=2, 3611/2.3=2...(7) HB3 LEU 123 - HB3 PRO 113 poor 7 56 - 13 - ~10137=2, ~10139=2...(8) HB3 ARG 84 - HB3 PRO 113 lone 5 87 - 5 - HB2 ARG 135 - HB3 PRO 113 lone 2 73 - 2 - Peak 3604 from cnoeabs.peaks (2.27, 2.27, 31.81 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 PRO 113 + HB3 PRO 113 OK 100 100 - 100 Peak 3605 from cnoeabs.peaks (1.93, 2.27, 31.81 ppm; 2.62 A): 1 out of 5 assignments used, quality = 1.00: * HG2 PRO 113 + HB3 PRO 113 OK 100 100 - 100 - 2.3=100 HG LEU 53 - HB3 PRO 113 OK 32 96 - 33 - 3597/1.8=6, 3589/2.3=5...(11) HB2 LYS 95 - HB3 PRO 113 OK 12 92 - 13 - 3597/1.8=2, 3589/2.3=2...(5) HB2 MET 11 - HB3 PRO 113 OK 11 65 - 16 - 3597/1.8=2, 3621/2.3=2...(9) HB3 LYS 95 - HB3 PRO 113 poor 9 73 - 12 - 3597/1.8=2, 3621/2.3=1...(5) Peak 3606 from cnoeabs.peaks (2.06, 2.27, 31.81 ppm; 3.16 A): 1 out of 7 assignments used, quality = 1.00: * HG3 PRO 113 + HB3 PRO 113 OK 100 100 - 100 - 2.3=100 HG2 PRO 117 - HB3 PRO 113 OK 30 81 - 38 - 3598/1.8=6, 3.8/3602=5...(14) HB VAL 118 - HB3 PRO 113 OK 16 96 - 16 - 11542/2.3=4, 3598/1.8=3...(6) HB2 LEU 62 - HB3 PRO 113 OK 13 96 - 13 - 3598/1.8=2, 3614/2.3=2...(5) HB3 GLN 27 - HB3 PRO 113 OK 12 100 - 11 - 3598/1.8=2, 3614/2.3=2...(5) HB2 GLN 127 - HB3 PRO 113 lone 9 96 - 9 - 3598/1.8=2, 3614/2.3=2...(5) HG3 PRO 81 - HB3 PRO 113 lone 2 65 - 2 - Peak 3607 from cnoeabs.peaks (3.70, 2.27, 31.81 ppm; 4.55 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 113 + HB3 PRO 113 OK 100 100 - 100 - 3.0=100 Peak 3608 from cnoeabs.peaks (3.94, 2.27, 31.81 ppm; 4.41 A): 3 out of 4 assignments used, quality = 1.00: * HD3 PRO 113 + HB3 PRO 113 OK 100 100 - 100 - 3.0=100 HA2 GLY 111 + HB3 PRO 113 OK 60 87 - 69 - 4.8/11508=11...(15) HA3 GLY 111 + HB3 PRO 113 OK 49 73 - 67 - 4.8/11508=11, 3600/1.8=9...(15) HB2 SER 51 - HB3 PRO 113 OK 12 92 - 13 - 3600/1.8=2, 3616/2.3=2...(7) Peak 3609 from cnoeabs.peaks (8.57, 2.27, 31.81 ppm; 4.17 A): 2 out of 2 assignments used, quality = 1.00: * H GLY 114 + HB3 PRO 113 OK 100 100 - 100 - 3.9=100 H ARG 90 + HB3 PRO 113 OK 49 99 - 49 - 3601/1.8=14, 3593/2.3=11...(7) Peak 3610 from cnoeabs.peaks (4.37, 1.93, 27.46 ppm; 4.37 A): 2 out of 2 assignments used, quality = 1.00: * HA PRO 113 + HG2 PRO 113 OK 100 100 - 100 - 3.8=100 HA PRO 117 + HG2 PRO 113 OK 50 92 - 54 - 3618/1.8=14, 3594/2.3=13...(9) Peak 3611 from cnoeabs.peaks (1.91, 1.93, 27.46 ppm; 2.80 A): 1 out of 6 assignments used, quality = 1.00: * HB2 PRO 113 + HG2 PRO 113 OK 100 100 - 100 - 2.3=100 HB2 ARG 90 - HG2 PRO 113 OK 29 98 - 30 - 3619/1.8=6, 3603/2.3=5...(11) HB3 LEU 49 - HG2 PRO 113 OK 15 87 - 17 - 3619/1.8=3, 3603/2.3=3...(7) HB3 LEU 123 - HG2 PRO 113 poor 9 56 - 16 - ~10137=4, ~10139=4...(7) HB3 ARG 84 - HG2 PRO 113 lone 5 87 - 5 - 3619/1.8=1 HB2 ARG 135 - HG2 PRO 113 lone 2 73 - 3 - Peak 3612 from cnoeabs.peaks (2.27, 1.93, 27.46 ppm; 3.58 A): 1 out of 5 assignments used, quality = 1.00: * HB3 PRO 113 + HG2 PRO 113 OK 100 100 - 100 - 2.3=100 HG2 GLU 97 - HG2 PRO 113 OK 45 98 - 46 - ~11512=12, 3620/1.8=9...(9) HB VAL 132 - HG2 PRO 113 OK 20 87 - 23 - 3620/1.8=4, 3596/2.3=4...(10) HG2 GLN 61 - HG2 PRO 113 lone 6 81 - 7 - 3620/1.8=1, 3596/2.3=1 HB VAL 105 - HG2 PRO 113 lone 4 65 - 6 - Peak 3613 from cnoeabs.peaks (1.93, 1.93, 27.46 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 PRO 113 + HG2 PRO 113 OK 100 100 - 100 Peak 3614 from cnoeabs.peaks (2.06, 1.93, 27.46 ppm; 2.86 A): 1 out of 7 assignments used, quality = 1.00: * HG3 PRO 113 + HG2 PRO 113 OK 100 100 - 100 - 1.8=100 HG2 PRO 117 - HG2 PRO 113 OK 17 81 - 22 - 3598/2.3=4, 3606/2.3=4...(7) HB VAL 118 - HG2 PRO 113 OK 12 96 - 13 - 11542/3.8=3, 3598/2.3=2...(5) HB2 LEU 62 - HG2 PRO 113 poor 10 96 - 10 - 3606/2.3=2, 3598/2.3=2...(4) HB3 GLN 27 - HG2 PRO 113 lone 9 100 - 9 - 3598/2.3=2, 3606/2.3=2...(4) HB2 GLN 127 - HG2 PRO 113 lone 7 96 - 7 - 3598/2.3=1, 3582/2.3=1...(4) HG3 PRO 81 - HG2 PRO 113 lone 1 65 - 2 - Peak 3615 from cnoeabs.peaks (3.70, 1.93, 27.46 ppm; 4.01 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 113 + HG2 PRO 113 OK 100 100 - 100 - 2.3=100 Peak 3616 from cnoeabs.peaks (3.94, 1.93, 27.46 ppm; 4.04 A): 2 out of 4 assignments used, quality = 1.00: * HD3 PRO 113 + HG2 PRO 113 OK 100 100 - 100 - 2.3=100 HA2 GLY 111 + HG2 PRO 113 OK 54 87 - 63 - 3576/2.3=11, 3624/1.8=11...(14) HA3 GLY 111 - HG2 PRO 113 OK 44 73 - 60 - 4.8/11509=9, 3624/1.8=8...(14) HB2 SER 51 - HG2 PRO 113 OK 11 92 - 12 - 3624/1.8=2, 3600/2.3=2...(7) Peak 3617 from cnoeabs.peaks (8.57, 1.93, 27.46 ppm; 6.09 A): 2 out of 2 assignments used, quality = 0.99: * H GLY 114 + HG2 PRO 113 OK 96 100 - 96 - 7596/2.3=49, 7591/3.8=43...(10) H ARG 90 + HG2 PRO 113 OK 70 99 - 70 - 3601/2.3=21, 3625/1.8=20...(8) Peak 3618 from cnoeabs.peaks (4.37, 2.06, 27.46 ppm; 3.93 A): 2 out of 2 assignments used, quality = 1.00: * HA PRO 113 + HG3 PRO 113 OK 100 100 - 100 - 3.8=100 HA PRO 117 + HG3 PRO 113 OK 45 92 - 49 - 3594/2.3=11, 3602/2.3=11...(12) Peak 3619 from cnoeabs.peaks (1.91, 2.06, 27.46 ppm; 2.76 A): 1 out of 6 assignments used, quality = 1.00: * HB2 PRO 113 + HG3 PRO 113 OK 100 100 - 100 - 2.3=100 HB2 ARG 90 - HG3 PRO 113 OK 29 98 - 30 - 3611/1.8=6, 3603/2.3=5...(10) HB3 LEU 49 - HG3 PRO 113 OK 14 87 - 17 - 3611/1.8=3, 3603/2.3=2...(7) HB3 LEU 123 - HG3 PRO 113 poor 9 56 - 16 - ~10137=4, ~10139=4...(7) HB3 ARG 84 - HG3 PRO 113 lone 5 87 - 5 - 3611/1.8=1 HB2 ARG 135 - HG3 PRO 113 lone 2 73 - 2 - Peak 3620 from cnoeabs.peaks (2.27, 2.06, 27.46 ppm; 3.08 A): 1 out of 5 assignments used, quality = 1.00: * HB3 PRO 113 + HG3 PRO 113 OK 100 100 - 100 - 2.3=100 HG2 GLU 97 - HG3 PRO 113 OK 34 98 - 35 - ~11512=9, 3612/1.8=7...(9) HB VAL 132 - HG3 PRO 113 OK 15 87 - 18 - 3612/1.8=3, 3596/2.3=3...(9) HG2 GLN 61 - HG3 PRO 113 lone 5 81 - 6 - HB VAL 105 - HG3 PRO 113 lone 3 65 - 4 - Peak 3621 from cnoeabs.peaks (1.93, 2.06, 27.46 ppm; 2.63 A): 1 out of 5 assignments used, quality = 1.00: * HG2 PRO 113 + HG3 PRO 113 OK 100 100 - 100 - 1.8=100 HG LEU 53 - HG3 PRO 113 OK 30 96 - 32 - 3597/2.3=5, 3605/2.3=5...(11) HB2 MET 11 - HG3 PRO 113 OK 11 65 - 18 - 3.0/11510=2, 3573/2.3=2...(11) HB2 LYS 95 - HG3 PRO 113 OK 11 92 - 12 - 3605/2.3=2, 3597/2.3=2...(5) HB3 LYS 95 - HG3 PRO 113 poor 8 73 - 11 - 3605/2.3=1, 3597/2.3=1...(4) Peak 3622 from cnoeabs.peaks (2.06, 2.06, 27.46 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 PRO 113 + HG3 PRO 113 OK 100 100 - 100 Peak 3623 from cnoeabs.peaks (3.70, 2.06, 27.46 ppm; 3.63 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 113 + HG3 PRO 113 OK 100 100 - 100 - 2.3=100 Peak 3624 from cnoeabs.peaks (3.94, 2.06, 27.46 ppm; 3.21 A): 1 out of 4 assignments used, quality = 1.00: * HD3 PRO 113 + HG3 PRO 113 OK 100 100 - 100 - 2.3=100 HA2 GLY 111 - HG3 PRO 113 OK 41 87 - 47 - 3576/2.3=8, 3616/1.8=6...(15) HA3 GLY 111 - HG3 PRO 113 OK 32 73 - 44 - 3576/2.3=6, 4.8/11510=6...(14) HB2 SER 51 - HG3 PRO 113 lone 7 92 - 7 - 3616/1.8=1, 3576/2.3=1...(4) Peak 3625 from cnoeabs.peaks (8.57, 2.06, 27.46 ppm; 4.99 A): 2 out of 2 assignments used, quality = 0.98: * H GLY 114 + HG3 PRO 113 OK 94 100 - 94 - 7596/2.3=40, 7591/3.8=39...(11) H ARG 90 + HG3 PRO 113 OK 62 99 - 63 - 3601/2.3=18, 3609/2.3=15...(10) Peak 3626 from cnoeabs.peaks (8.57, 3.88, 45.18 ppm; 3.17 A): 1 out of 2 assignments used, quality = 1.00: * H GLY 114 + HA2 GLY 114 OK 100 100 - 100 - 2.9=100 H ARG 90 - HA2 GLY 114 OK 17 99 - 17 - 3630/1.8=4, ~2783=3...(6) Peak 3627 from cnoeabs.peaks (3.88, 3.88, 45.18 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 114 + HA2 GLY 114 OK 100 100 - 100 Peak 3628 from cnoeabs.peaks (4.12, 3.88, 45.18 ppm; 2.51 A): 1 out of 4 assignments used, quality = 1.00: * HA3 GLY 114 + HA2 GLY 114 OK 100 100 - 100 - 1.8=100 HA ILE 80 - HA2 GLY 114 lone 7 100 - 7 - 4.2/9727=1, 7599/2.9=1, ~2451=1 HA CYS 45 - HA2 GLY 114 lone 3 99 - 2 - HA ALA 52 - HA2 GLY 114 lone 2 73 - 2 - Peak 3629 from cnoeabs.peaks (7.90, 3.88, 45.18 ppm; 3.66 A): 1 out of 3 assignments used, quality = 1.00: * H THR 115 + HA2 GLY 114 OK 100 100 - 100 - 3.6=100 H SER 106 - HA2 GLY 114 lone 5 87 - 5 - 3633/1.8=2, 7600/2.9=2 H GLN 104 - HA2 GLY 114 lone 2 73 - 3 - 7600/2.9=1 Peak 3630 from cnoeabs.peaks (8.57, 4.12, 45.18 ppm; 3.23 A): 1 out of 2 assignments used, quality = 1.00: * H GLY 114 + HA3 GLY 114 OK 100 100 - 100 - 2.9=100 H ARG 90 - HA3 GLY 114 OK 13 99 - 13 - 3626/1.8=5, ~2783=3...(4) Peak 3631 from cnoeabs.peaks (3.88, 4.12, 45.18 ppm; 2.57 A): 1 out of 4 assignments used, quality = 1.00: * HA2 GLY 114 + HA3 GLY 114 OK 100 100 - 100 - 1.8=100 HA LYS 86 - HA3 GLY 114 lone 4 92 - 4 - 7598/2.9=1 HA LEU 70 - HA3 GLY 114 lone 2 100 - 2 - HB3 SER 50 - HA3 GLY 114 lone 1 87 - 1 - Peak 3632 from cnoeabs.peaks (4.12, 4.12, 45.18 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 114 + HA3 GLY 114 OK 100 100 - 100 Peak 3633 from cnoeabs.peaks (7.90, 4.12, 45.18 ppm; 3.75 A): 1 out of 3 assignments used, quality = 1.00: * H THR 115 + HA3 GLY 114 OK 100 100 - 100 - 3.6=100 H SER 106 - HA3 GLY 114 lone 5 87 - 5 - 3629/1.8=2, 7600/2.9=2 H GLN 104 - HA3 GLY 114 lone 2 73 - 3 - 7600/2.9=1 Peak 3634 from cnoeabs.peaks (7.90, 4.40, 61.68 ppm; 3.65 A): 1 out of 3 assignments used, quality = 1.00: * H THR 115 + HA THR 115 OK 100 100 - 100 - 3.0=100 H SER 106 - HA THR 115 poor 10 87 - 11 - 7610/3.6=2, 4.4/11523=2...(4) H GLN 104 - HA THR 115 lone 3 73 - 4 - Peak 3635 from cnoeabs.peaks (4.40, 4.40, 61.68 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA THR 115 + HA THR 115 OK 100 100 - 100 Peak 3636 from cnoeabs.peaks (4.27, 4.40, 61.68 ppm; 2.79 A): 1 out of 11 assignments used, quality = 0.89: * HB THR 115 + HA THR 115 OK 89 100 - 89 - 3.0=79, 2.1/3637=21...(7) HA LYS 26 - HA THR 115 lone 9 92 - 10 - 2.9/11520=5, ~11521=2 HA ALA 16 - HA THR 115 lone 7 99 - 7 - 10669/3.2=3, 7606/3.0=1 HA GLN 61 - HA THR 115 lone 6 81 - 8 - ~10169=2, ~10185=2...(4) HA ALA 108 - HA THR 115 lone 4 98 - 4 - ~11483=2 HA LYS 36 - HA THR 115 lone 2 100 - 2 - HA ALA 109 - HA THR 115 lone 2 98 - 2 - HA LYS 31 - HA THR 115 lone 1 98 - 1 - HA LEU 22 - HA THR 115 lone 1 98 - 1 - HA LYS 19 - HA THR 115 lone 1 81 - 1 - HA PHE 87 - HA THR 115 lone 1 65 - 1 - Peak 3637 from cnoeabs.peaks (1.13, 4.40, 61.68 ppm; 2.99 A): 1 out of 4 assignments used, quality = 0.92: * QG2 THR 115 + HA THR 115 OK 92 100 - 92 - 3.2=81, 2.1/3636=24...(10) QG1 VAL 132 - HA THR 115 lone 9 96 - 10 - 7607/3.0=3, 10162/5.0=2...(4) HG2 LYS 39 - HA THR 115 lone 7 100 - 6 - 3642/3.0=1, 7607/3.0=1 QG2 VAL 132 - HA THR 115 lone 7 96 - 7 - 7607/3.0=2, ~7607=1, 7613/3.6=1 Peak 3638 from cnoeabs.peaks (8.45, 4.40, 61.68 ppm; 3.33 A): 2 out of 3 assignments used, quality = 0.94: * H ASN 116 + HA THR 115 OK 94 100 - 94 - 3.6=81, 7608/3.0=26...(9) H ALA 12 + HA THR 115 OK 10 99 - 10 - 7608/3.0=3, 3643/3.0=2...(5) H ASN 13 - HA THR 115 lone 4 57 - 7 - 4.7/11520=4 Peak 3639 from cnoeabs.peaks (7.90, 4.27, 69.69 ppm; 3.90 A): 1 out of 3 assignments used, quality = 0.97: * H THR 115 + HB THR 115 OK 97 100 - 97 - 4.0=90, 3644/2.1=37...(6) H SER 106 - HB THR 115 lone 7 87 - 8 - 3644/2.1=3, 3634/3.0=3 H GLN 104 - HB THR 115 lone 2 73 - 3 - 3644/2.1=1 Peak 3640 from cnoeabs.peaks (4.40, 4.27, 69.69 ppm; 3.15 A): 1 out of 4 assignments used, quality = 1.00: * HA THR 115 + HB THR 115 OK 100 100 - 100 - 3.0=100 HA SER 33 - HB THR 115 lone 6 96 - 6 - 3645/2.1=2, ~10181=1 HA SER 9 - HB THR 115 lone 1 81 - 1 - HA HIS 5 - HB THR 115 lone 0 57 - 0 - Peak 3641 from cnoeabs.peaks (4.27, 4.27, 69.69 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 115 + HB THR 115 OK 100 100 - 100 Peak 3642 from cnoeabs.peaks (1.13, 4.27, 69.69 ppm; 2.78 A): 1 out of 4 assignments used, quality = 1.00: * QG2 THR 115 + HB THR 115 OK 100 100 - 100 - 2.1=100 HG2 LYS 39 - HB THR 115 lone 6 100 - 6 - 3637/3.0=1 QG1 VAL 132 - HB THR 115 lone 6 96 - 6 - 7607/4.0=2, 3637/3.0=2 QG2 VAL 132 - HB THR 115 lone 5 96 - 5 - 3637/3.0=1, 7607/4.0=1 Peak 3643 from cnoeabs.peaks (8.45, 4.27, 69.69 ppm; 4.07 A): 2 out of 3 assignments used, quality = 0.89: * H ASN 116 + HB THR 115 OK 88 100 - 88 - 4.6=68, 7611/3.0=33...(5) H ALA 12 + HB THR 115 OK 11 99 - 11 - 3648/2.1=4, 3638/3.0=4 H ASN 13 - HB THR 115 lone 5 57 - 8 - 4.7/11521=5, 3638/3.0=1 Peak 3644 from cnoeabs.peaks (7.90, 1.13, 21.32 ppm; 3.39 A): 1 out of 3 assignments used, quality = 0.87: * H THR 115 + QG2 THR 115 OK 87 100 - 87 - 4.0=61, 3639/2.1=24...(9) H SER 106 - QG2 THR 115 lone 7 87 - 8 - 3634/3.2=2, 3639/2.1=2...(4) H GLN 104 - QG2 THR 115 lone 2 73 - 3 - Peak 3645 from cnoeabs.peaks (4.40, 1.13, 21.32 ppm; 3.24 A): 1 out of 4 assignments used, quality = 1.00: * HA THR 115 + QG2 THR 115 OK 100 100 - 100 - 3.2=100 HA SER 33 - QG2 THR 115 lone 7 96 - 7 - 3.0/10181=2, 3640/2.1=2...(4) HA SER 9 - QG2 THR 115 lone 1 81 - 1 - HA HIS 5 - QG2 THR 115 lone 0 57 - 1 - Peak 3646 from cnoeabs.peaks (4.27, 1.13, 21.32 ppm; 2.84 A): 1 out of 11 assignments used, quality = 1.00: * HB THR 115 + QG2 THR 115 OK 100 100 - 100 - 2.1=100 HA GLN 61 - QG2 THR 115 OK 12 81 - 15 - 3.0/10185=6, 3.0/10185=6...(4) HA ALA 16 - QG2 THR 115 lone 10 99 - 10 - 10669=4, 3636/3.2=1 HA LYS 26 - QG2 THR 115 lone 7 92 - 8 - ~11521=2, ~11520=2, 3636/3.2=2 HA LYS 36 - QG2 THR 115 lone 6 100 - 6 - 4.1/10196=3 HA ALA 108 - QG2 THR 115 lone 5 98 - 5 - 3.0/11483=3 HA ALA 109 - QG2 THR 115 lone 2 98 - 2 - HA LEU 22 - QG2 THR 115 lone 2 98 - 2 - HA LYS 31 - QG2 THR 115 lone 1 98 - 1 - HA LYS 19 - QG2 THR 115 lone 1 81 - 1 - HA PHE 87 - QG2 THR 115 lone 1 65 - 2 - Peak 3647 from cnoeabs.peaks (1.13, 1.13, 21.32 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 115 + QG2 THR 115 OK 100 100 - 100 Peak 3648 from cnoeabs.peaks (8.45, 1.13, 21.32 ppm; 4.28 A): 1 out of 3 assignments used, quality = 1.00: * H ASN 116 + QG2 THR 115 OK 100 100 - 100 - 4.2=100 H ALA 12 - QG2 THR 115 OK 14 99 - 14 - 3643/2.1=4, 3638/3.2=4...(4) H ASN 13 - QG2 THR 115 lone 3 57 - 5 - 3643/2.1=2, 3638/3.2=1 Peak 3649 from cnoeabs.peaks (8.45, 4.97, 51.55 ppm; 4.49 A): 1 out of 3 assignments used, quality = 1.00: * H ASN 116 + HA ASN 116 OK 100 100 - 100 - 2.9=100 H ALA 12 - HA ASN 116 OK 36 99 - 36 - 3661/3.0=8, 3655/3.0=8...(9) H ASN 13 - HA ASN 116 lone 4 57 - 7 - 7626/4.6=1, 7620/4.6=1 Peak 3650 from cnoeabs.peaks (4.97, 4.97, 51.55 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASN 116 + HA ASN 116 OK 100 100 - 100 Peak 3651 from cnoeabs.peaks (2.85, 4.97, 51.55 ppm; 4.33 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASN 116 + HA ASN 116 OK 100 100 - 100 - 3.0=100 HB3 ASP 47 - HA ASN 116 lone 6 73 - 7 - 7615/2.9=2, 3663/3.0=2 Peak 3652 from cnoeabs.peaks (2.93, 4.97, 51.55 ppm; 4.04 A): 1 out of 6 assignments used, quality = 1.00: * HB3 ASN 116 + HA ASN 116 OK 100 100 - 100 - 3.0=100 HD2 ARG 135 - HA ASN 116 OK 28 92 - 31 - 3.0/10200=12, 7616/2.9=4...(11) HE2 LYS 39 - HA ASN 116 OK 15 99 - 15 - 7616/2.9=3, 3658/3.0=2...(7) HE3 LYS 39 - HA ASN 116 OK 11 87 - 13 - 7616/2.9=2, ~7616=2...(6) HG CYS 73 - HA ASN 116 lone 4 98 - 4 - HB2 CYS 45 - HA ASN 116 lone 2 65 - 2 - Peak 3654 from cnoeabs.peaks (7.92, 4.97, 51.55 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 116 + HA ASN 116 OK 100 100 - 100 - 4.6=100 Peak 3655 from cnoeabs.peaks (8.45, 2.85, 38.95 ppm; 3.88 A): 1 out of 3 assignments used, quality = 0.98: * H ASN 116 + HB2 ASN 116 OK 98 100 - 98 - 4.0=92, 7616/1.8=31...(9) H ALA 12 - HB2 ASN 116 OK 27 99 - 27 - 3661/1.8=7, 3649/3.0=6...(7) H ASN 13 - HB2 ASN 116 lone 3 57 - 5 - 7626/3.5=1 Peak 3656 from cnoeabs.peaks (4.97, 2.85, 38.95 ppm; 4.55 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 116 + HB2 ASN 116 OK 100 100 - 100 - 3.0=100 Peak 3657 from cnoeabs.peaks (2.85, 2.85, 38.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 116 + HB2 ASN 116 OK 100 100 - 100 Peak 3658 from cnoeabs.peaks (2.93, 2.85, 38.95 ppm; 2.96 A): 1 out of 6 assignments used, quality = 1.00: * HB3 ASN 116 + HB2 ASN 116 OK 100 100 - 100 - 1.8=100 HD2 ARG 135 - HB2 ASN 116 OK 12 92 - 13 - 3652/3.0=3, ~10200=3...(8) HE2 LYS 39 - HB2 ASN 116 lone 7 99 - 7 - 3652/3.0=1, 7623/3.5=1...(4) HE3 LYS 39 - HB2 ASN 116 lone 6 87 - 6 - 3652/3.0=1 HG CYS 73 - HB2 ASN 116 lone 2 98 - 2 - HB2 CYS 45 - HB2 ASN 116 lone 1 65 - 1 - Peak 3659 from cnoeabs.peaks (7.01, 2.85, 38.95 ppm; 6.27 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 116 + HB2 ASN 116 OK 100 100 - 100 - 3.5=100 Peak 3660 from cnoeabs.peaks (7.92, 2.85, 38.95 ppm; 4.50 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 116 + HB2 ASN 116 OK 100 100 - 100 - 3.5=100 Peak 3661 from cnoeabs.peaks (8.45, 2.93, 38.95 ppm; 4.45 A): 1 out of 3 assignments used, quality = 1.00: * H ASN 116 + HB3 ASN 116 OK 100 100 - 100 - 4.0=100 H ALA 12 - HB3 ASN 116 OK 34 99 - 34 - 3655/1.8=10, 3649/3.0=8...(7) H ASN 13 - HB3 ASN 116 lone 4 57 - 7 - 7626/3.5=1, 7620/3.5=1 Peak 3662 from cnoeabs.peaks (4.97, 2.93, 38.95 ppm; 5.15 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 116 + HB3 ASN 116 OK 100 100 - 100 - 3.0=100 Peak 3663 from cnoeabs.peaks (2.85, 2.93, 38.95 ppm; 3.50 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASN 116 + HB3 ASN 116 OK 100 100 - 100 - 1.8=100 HB3 ASP 47 - HB3 ASN 116 lone 4 73 - 5 - 3651/3.0=1 Peak 3664 from cnoeabs.peaks (2.93, 2.93, 38.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 116 + HB3 ASN 116 OK 100 100 - 100 Peak 3665 from cnoeabs.peaks (7.01, 2.93, 38.95 ppm; 6.36 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 116 + HB3 ASN 116 OK 100 100 - 100 - 3.5=100 Peak 3666 from cnoeabs.peaks (7.92, 2.93, 38.95 ppm; 4.72 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 116 + HB3 ASN 116 OK 100 100 - 100 - 3.5=100 Peak 3667 from cnoeabs.peaks (4.97, 3.86, 51.04 ppm; 3.77 A): 1 out of 1 assignment used, quality = 0.99: * HA ASN 116 + HD2 PRO 117 OK 99 100 - 99 - 3.8=99 Peak 3668 from cnoeabs.peaks (3.86, 4.97, 51.55 ppm; 3.44 A): 2 out of 3 assignments used, quality = 0.94: * HD2 PRO 117 + HA ASN 116 OK 93 100 - 93 - 3.8=76, 1.8/3670=28...(10) HD2 PRO 81 + HA ASN 116 OK 14 73 - 19 - 3684/3.8=7, 3692/4.8=4...(6) HB3 SER 33 - HA ASN 116 lone 3 73 - 3 - Peak 3669 from cnoeabs.peaks (4.97, 3.95, 51.04 ppm; 3.80 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 116 + HD3 PRO 117 OK 100 100 - 100 - 3.8=100 Peak 3670 from cnoeabs.peaks (3.95, 4.97, 51.55 ppm; 3.45 A): 1 out of 7 assignments used, quality = 0.92: * HD3 PRO 117 + HA ASN 116 OK 92 100 - 92 - 3.8=76, 1.8/3667=31...(10) HB3 SER 107 - HA ASN 116 poor 8 73 - 11 - 10197/2.9=2...(7) HA2 GLY 17 - HA ASN 116 lone 4 65 - 6 - HA3 GLY 17 - HA ASN 116 lone 4 65 - 6 - HA3 GLY 111 - HA ASN 116 lone 4 81 - 4 - 10210/4.6=1 HA LEU 100 - HA ASN 116 lone 3 65 - 4 - HB2 SER 51 - HA ASN 116 lone 1 57 - 2 - ~10208=1 Peak 3671 from cnoeabs.peaks (4.37, 3.86, 51.04 ppm; 4.70 A): 1 out of 2 assignments used, quality = 1.00: * HA PRO 117 + HD2 PRO 117 OK 100 100 - 100 - 3.6=100 HA PRO 113 - HD2 PRO 117 OK 45 92 - 49 - 3679/1.8=12, 3703/3.0=12...(9) Peak 3672 from cnoeabs.peaks (2.36, 3.86, 51.04 ppm; 5.25 A): 2 out of 5 assignments used, quality = 1.00: * HB2 PRO 117 + HD2 PRO 117 OK 100 100 - 100 - 3.0=100 HG3 GLN 27 + HD2 PRO 117 OK 55 98 - 56 - 3680/1.8=9, 3704/3.0=8...(26) HG2 GLN 27 - HD2 PRO 117 OK 35 65 - 53 - ~3680=7, ~3704=6...(25) HG2 GLN 127 - HD2 PRO 117 OK 32 81 - 39 - 3680/1.8=5, 3704/3.0=4...(18) HG2 GLU 102 - HD2 PRO 117 OK 14 98 - 14 - 3680/1.8=3, 3688/3.6=2...(6) Peak 3673 from cnoeabs.peaks (2.01, 3.86, 51.04 ppm; 3.38 A): 1 out of 6 assignments used, quality = 1.00: * HB3 PRO 117 + HD2 PRO 117 OK 100 100 - 100 - 3.0=100 HG3 PRO 56 - HD2 PRO 117 OK 24 100 - 24 - 3681/1.8=5, 3697/3.0=4...(7) HG2 PRO 56 - HD2 PRO 117 OK 24 100 - 24 - 3681/1.8=5, 3697/3.0=4...(7) HB3 PRO 56 - HD2 PRO 117 OK 13 73 - 18 - ~3681=3, 3681/1.8=3...(5) HB ILE 129 - HD2 PRO 117 lone 6 87 - 7 - 3681/1.8=1 HB VAL 20 - HD2 PRO 117 lone 3 81 - 4 - Peak 3674 from cnoeabs.peaks (2.05, 3.86, 51.04 ppm; 3.45 A): 3 out of 8 assignments used, quality = 1.00: * HG2 PRO 117 + HD2 PRO 117 OK 100 100 - 100 - 2.3=100 HG3 PRO 117 + HD2 PRO 117 OK 98 98 - 100 - 2.3=100 HG3 PRO 81 + HD2 PRO 117 OK 66 99 - 67 - 2.3/11897=13, 3717/1.8=8...(21) HB VAL 118 - HD2 PRO 117 OK 37 98 - 38 - 4.0/7637=12, ~11528=8...(11) HB2 GLN 127 - HD2 PRO 117 OK 20 98 - 20 - 4044/3.0=2, ~4052=2...(11) HG3 PRO 113 - HD2 PRO 117 OK 20 81 - 25 - 3.8/3671=4, 3618/3.6=4...(10) HB3 GLN 27 - HD2 PRO 117 OK 19 81 - 23 - 3.0/3672=3, ~3680=2...(12) HB2 LEU 62 - HD2 PRO 117 lone 8 98 - 8 - ~1983=1, 1978/9209=1 Peak 3675 from cnoeabs.peaks (2.05, 3.86, 51.04 ppm; 3.45 A): 3 out of 8 assignments used, quality = 1.00: * HG3 PRO 117 + HD2 PRO 117 OK 100 100 - 100 - 2.3=100 HG2 PRO 117 + HD2 PRO 117 OK 98 98 - 100 - 2.3=100 HG3 PRO 81 + HD2 PRO 117 OK 67 100 - 67 - 2.3/11897=13, 3725/1.8=8...(21) HB VAL 118 - HD2 PRO 117 OK 32 87 - 36 - 4.0/7637=12, ~11528=8...(10) HB2 GLN 127 - HD2 PRO 117 OK 17 87 - 20 - ~4052=2, 3.0/3672=2...(11) HB2 LEU 62 - HD2 PRO 117 lone 7 87 - 7 - ~1983=1 HB3 GLU 55 - HD2 PRO 117 lone 6 65 - 9 - 3.8/3678=3 QE MET 11 - HD2 PRO 117 lone 2 57 - 4 - 10199/4.8=2 Peak 3676 from cnoeabs.peaks (3.86, 3.86, 51.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 117 + HD2 PRO 117 OK 100 100 - 100 Peak 3677 from cnoeabs.peaks (3.95, 3.86, 51.04 ppm; 3.35 A): 1 out of 7 assignments used, quality = 1.00: * HD3 PRO 117 + HD2 PRO 117 OK 100 100 - 100 - 1.8=100 HB3 SER 107 - HD2 PRO 117 poor 8 73 - 11 - 3709/3.0=2, 3701/3.0=1...(5) HA2 GLY 17 - HD2 PRO 117 lone 6 65 - 8 - 3709/3.0=1, 3701/3.0=1 HA3 GLY 17 - HD2 PRO 117 lone 6 65 - 8 - 3709/3.0=1, 3701/3.0=1 HA3 GLY 111 - HD2 PRO 117 lone 5 81 - 6 - HA LEU 100 - HD2 PRO 117 lone 4 65 - 5 - 11384/9206=1 HB2 SER 51 - HD2 PRO 117 lone 1 57 - 2 - Peak 3678 from cnoeabs.peaks (7.75, 3.86, 51.04 ppm; 5.14 A): 3 out of 3 assignments used, quality = 0.93: * H VAL 118 + HD2 PRO 117 OK 86 100 - 86 - 7637=36, 7634/3.0=31...(9) H GLU 55 + HD2 PRO 117 OK 39 98 - 40 - 3710/3.0=9, 3686/1.8=9...(7) HE22 GLN 68 + HD2 PRO 117 OK 23 92 - 25 - 3686/1.8=6, 3710/3.0=5...(6) Peak 3679 from cnoeabs.peaks (4.37, 3.95, 51.04 ppm; 4.47 A): 1 out of 2 assignments used, quality = 1.00: * HA PRO 117 + HD3 PRO 117 OK 100 100 - 100 - 3.6=100 HA PRO 113 - HD3 PRO 117 OK 42 92 - 46 - 3671/1.8=11, 3703/3.0=11...(9) Peak 3680 from cnoeabs.peaks (2.36, 3.95, 51.04 ppm; 5.21 A): 2 out of 5 assignments used, quality = 1.00: * HB2 PRO 117 + HD3 PRO 117 OK 100 100 - 100 - 3.0=100 HG3 GLN 27 + HD3 PRO 117 OK 55 98 - 56 - 3672/1.8=9, 3704/3.0=8...(26) HG2 GLN 27 - HD3 PRO 117 OK 34 65 - 52 - ~3672=7, ~3704=6...(25) HG2 GLN 127 - HD3 PRO 117 OK 31 81 - 38 - 3672/1.8=5, 3704/3.0=4...(17) HG2 GLU 102 - HD3 PRO 117 OK 15 98 - 15 - 3672/1.8=2, 3688/3.6=2...(6) Peak 3681 from cnoeabs.peaks (2.01, 3.95, 51.04 ppm; 3.86 A): 1 out of 6 assignments used, quality = 1.00: * HB3 PRO 117 + HD3 PRO 117 OK 100 100 - 100 - 3.0=100 HG3 PRO 56 - HD3 PRO 117 OK 30 100 - 30 - 3673/1.8=6, 3697/3.0=5...(9) HG2 PRO 56 - HD3 PRO 117 OK 30 100 - 30 - 3673/1.8=6, 3697/3.0=5...(9) HB3 PRO 56 - HD3 PRO 117 OK 17 73 - 23 - ~3673=3, 3673/1.8=3...(8) HB ILE 129 - HD3 PRO 117 lone 8 87 - 9 - 3673/1.8=2, 3697/3.0=1, ~11195=1 HB VAL 20 - HD3 PRO 117 lone 4 81 - 4 - Peak 3682 from cnoeabs.peaks (2.05, 3.95, 51.04 ppm; 3.41 A): 3 out of 8 assignments used, quality = 1.00: * HG2 PRO 117 + HD3 PRO 117 OK 100 100 - 100 - 2.3=100 HG3 PRO 117 + HD3 PRO 117 OK 98 98 - 100 - 2.3=100 HG3 PRO 81 + HD3 PRO 117 OK 67 99 - 67 - 2.3/3684=10, 3717=10...(21) HB VAL 118 - HD3 PRO 117 OK 36 98 - 37 - 4.0/7638=9, ~11528=8...(11) HG3 PRO 113 - HD3 PRO 117 OK 20 81 - 24 - 3.8/3679=5, 3618/3.6=4...(10) HB2 GLN 127 - HD3 PRO 117 OK 19 98 - 19 - 4044/3.0=2, ~4052=2...(10) HB3 GLN 27 - HD3 PRO 117 OK 18 81 - 23 - 3.0/3680=3, ~3672=2...(12) HB2 LEU 62 - HD3 PRO 117 lone 7 98 - 7 - ~1983=1 Peak 3683 from cnoeabs.peaks (2.05, 3.95, 51.04 ppm; 3.41 A): 3 out of 8 assignments used, quality = 1.00: * HG3 PRO 117 + HD3 PRO 117 OK 100 100 - 100 - 2.3=100 HG2 PRO 117 + HD3 PRO 117 OK 98 98 - 100 - 2.3=100 HG3 PRO 81 + HD3 PRO 117 OK 68 100 - 68 - 3725=10, 2.3/3684=10...(21) HB VAL 118 - HD3 PRO 117 OK 30 87 - 35 - 4.0/7638=9, ~11528=8...(10) HB2 GLN 127 - HD3 PRO 117 OK 16 87 - 19 - ~4052=2, 3675/1.8=2...(10) HB2 LEU 62 - HD3 PRO 117 lone 6 87 - 7 - ~1983=1 HB3 GLU 55 - HD3 PRO 117 lone 5 65 - 8 - 3.8/3686=3 QE MET 11 - HD3 PRO 117 lone 2 57 - 4 - 10199/4.8=2 Peak 3684 from cnoeabs.peaks (3.86, 3.95, 51.04 ppm; 3.39 A): 2 out of 3 assignments used, quality = 1.00: * HD2 PRO 117 + HD3 PRO 117 OK 100 100 - 100 - 1.8=100 HD2 PRO 81 + HD3 PRO 117 OK 49 73 - 67 - 3708/3.0=8, 3700/3.0=7...(29) HB3 SER 33 - HD3 PRO 117 lone 3 73 - 3 - Peak 3685 from cnoeabs.peaks (3.95, 3.95, 51.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 117 + HD3 PRO 117 OK 100 100 - 100 Peak 3686 from cnoeabs.peaks (7.75, 3.95, 51.04 ppm; 5.89 A): 2 out of 3 assignments used, quality = 0.95: * H VAL 118 + HD3 PRO 117 OK 91 100 - 91 - 10251/3.8=38...(11) H GLU 55 + HD3 PRO 117 OK 45 98 - 46 - 3678/1.8=12, 3710/3.0=11...(7) HE22 GLN 68 - HD3 PRO 117 OK 29 92 - 31 - 3678/1.8=7, 3702/3.0=6...(7) Peak 3687 from cnoeabs.peaks (4.37, 4.37, 64.81 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PRO 117 + HA PRO 117 OK 100 100 - 100 Peak 3688 from cnoeabs.peaks (2.36, 4.37, 64.81 ppm; 3.29 A): 1 out of 5 assignments used, quality = 1.00: * HB2 PRO 117 + HA PRO 117 OK 100 100 - 100 - 2.3=100 HG3 GLN 27 - HA PRO 117 OK 24 98 - 24 - 3704/2.3=6, 3680/3.6=3...(8) HG2 GLN 127 - HA PRO 117 OK 13 81 - 16 - 3704/2.3=3, 3672/3.6=2...(8) HG2 GLN 27 - HA PRO 117 OK 13 65 - 19 - 3704/2.3=3, ~3704=3...(6) HG2 GLU 102 - HA PRO 117 lone 7 98 - 7 - 3704/2.3=1, 7633/3.6=1 Peak 3689 from cnoeabs.peaks (2.01, 4.37, 64.81 ppm; 3.32 A): 1 out of 6 assignments used, quality = 1.00: * HB3 PRO 117 + HA PRO 117 OK 100 100 - 100 - 2.3=100 HG3 PRO 56 - HA PRO 117 OK 20 100 - 20 - 3697/2.3=4, 3673/3.6=3...(5) HG2 PRO 56 - HA PRO 117 OK 20 100 - 20 - 3697/2.3=4, 3673/3.6=3...(5) HB3 PRO 56 - HA PRO 117 OK 11 73 - 15 - 3697/2.3=2, ~3697=2...(4) HB ILE 129 - HA PRO 117 lone 5 87 - 6 - 3697/2.3=1 HB VAL 20 - HA PRO 117 lone 3 81 - 4 - 7634/3.6=1 Peak 3690 from cnoeabs.peaks (2.05, 4.37, 64.81 ppm; 3.55 A): 3 out of 8 assignments used, quality = 0.99: * HG2 PRO 117 + HA PRO 117 OK 84 100 - 84 - 3.8=79, 1.8/3719=12...(4) HG3 PRO 117 + HA PRO 117 OK 82 98 - 84 - 3.8=79, 1.8/3711=12...(5) HG3 PRO 81 + HA PRO 117 OK 48 99 - 49 - ~11891=10, 3719=9...(11) HB VAL 118 - HA PRO 117 OK 37 98 - 38 - 3736/3.6=16, ~11528=10...(7) HG3 PRO 113 - HA PRO 117 OK 34 81 - 42 - 2.3/3594=8, 2.3/3602=8...(11) HB3 GLN 27 - HA PRO 117 OK 17 81 - 20 - 3.0/3688=5, 3.0/3688=2...(10) HB2 GLN 127 - HA PRO 117 OK 16 98 - 16 - 4044/2.3=3, 3.0/3688=2...(9) HB2 LEU 62 - HA PRO 117 lone 4 98 - 4 - Peak 3691 from cnoeabs.peaks (2.05, 4.37, 64.81 ppm; 3.55 A): 3 out of 8 assignments used, quality = 0.99: * HG3 PRO 117 + HA PRO 117 OK 84 100 - 84 - 3.8=79, 1.8/3711=12...(5) HG2 PRO 117 + HA PRO 117 OK 82 98 - 84 - 3.8=79, 1.8/3719=12...(5) HG3 PRO 81 + HA PRO 117 OK 49 100 - 50 - ~11891=10, 3719=9...(11) HB VAL 118 - HA PRO 117 OK 29 87 - 34 - 3736/3.6=12, ~11528=10...(7) HB2 GLN 127 - HA PRO 117 OK 13 87 - 15 - 3.0/3688=2, 3699/2.3=2...(9) HB3 GLU 55 - HA PRO 117 lone 5 65 - 8 - 3.8/3694=4, 1714/3.6=2 HB2 LEU 62 - HA PRO 117 lone 3 87 - 3 - QE MET 11 - HA PRO 117 lone 1 57 - 2 - Peak 3692 from cnoeabs.peaks (3.86, 4.37, 64.81 ppm; 5.12 A): 2 out of 3 assignments used, quality = 1.00: * HD2 PRO 117 + HA PRO 117 OK 100 100 - 100 - 3.6=100 HD2 PRO 81 + HA PRO 117 OK 59 73 - 80 - 3708/2.3=17, 3700/2.3=17...(18) HB3 SER 33 - HA PRO 117 lone 5 73 - 7 - 7637/3.6=1, 3708/2.3=1 Peak 3693 from cnoeabs.peaks (3.95, 4.37, 64.81 ppm; 4.87 A): 1 out of 7 assignments used, quality = 1.00: * HD3 PRO 117 + HA PRO 117 OK 100 100 - 100 - 3.6=100 HB3 SER 107 - HA PRO 117 OK 14 73 - 19 - 7638/3.6=4, 3709/2.3=4...(7) HA2 GLY 17 - HA PRO 117 poor 10 65 - 15 - 3701/2.3=3, 3709/2.3=3...(6) HA3 GLY 17 - HA PRO 117 poor 10 65 - 15 - 3701/2.3=3, 3709/2.3=3...(6) HA3 GLY 111 - HA PRO 117 poor 9 81 - 10 - 3701/2.3=2, 3709/2.3=2...(4) HA LEU 100 - HA PRO 117 lone 5 65 - 7 - 3701/2.3=1, 3677/3.6=1...(4) HB2 SER 51 - HA PRO 117 lone 2 57 - 3 - Peak 3694 from cnoeabs.peaks (7.75, 4.37, 64.81 ppm; 4.62 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 118 + HA PRO 117 OK 100 100 - 100 - 3.6=100 H GLU 55 - HA PRO 117 OK 33 98 - 34 - 3710/2.3=9, 3702/2.3=8...(7) HE22 GLN 68 - HA PRO 117 OK 20 92 - 21 - 3710/2.3=5, 3702/2.3=5...(6) Peak 3695 from cnoeabs.peaks (4.37, 2.36, 32.10 ppm; 3.26 A): 1 out of 2 assignments used, quality = 1.00: * HA PRO 117 + HB2 PRO 117 OK 100 100 - 100 - 2.3=100 HA PRO 113 - HB2 PRO 117 OK 33 92 - 36 - 3703/1.8=9, 3679/3.0=5...(11) Peak 3696 from cnoeabs.peaks (2.36, 2.36, 32.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 117 + HB2 PRO 117 OK 100 100 - 100 Peak 3697 from cnoeabs.peaks (2.01, 2.36, 32.10 ppm; 2.71 A): 1 out of 6 assignments used, quality = 1.00: * HB3 PRO 117 + HB2 PRO 117 OK 100 100 - 100 - 1.8=100 HG3 PRO 56 - HB2 PRO 117 OK 18 100 - 18 - 3689/2.3=3, 3673/3.0=2...(8) HG2 PRO 56 - HB2 PRO 117 OK 18 100 - 18 - 3689/2.3=3, 3673/3.0=2...(8) HB3 PRO 56 - HB2 PRO 117 poor 10 73 - 13 - 3689/2.3=1, 3673/3.0=1...(4) HB ILE 129 - HB2 PRO 117 lone 4 87 - 5 - HB VAL 20 - HB2 PRO 117 lone 2 81 - 3 - Peak 3698 from cnoeabs.peaks (2.05, 2.36, 32.10 ppm; 3.03 A): 3 out of 8 assignments used, quality = 1.00: * HG2 PRO 117 + HB2 PRO 117 OK 100 100 - 100 - 2.3=100 HG3 PRO 117 + HB2 PRO 117 OK 98 98 - 100 - 2.3=100 HG3 PRO 81 + HB2 PRO 117 OK 57 99 - 58 - ~11891=8, 3720=7...(22) HB VAL 118 - HB2 PRO 117 OK 28 98 - 29 - 3736/4.3=9, ~11528=8...(9) HG3 PRO 113 - HB2 PRO 117 OK 27 81 - 33 - 3618/2.3=4, 3.8/3695=4...(15) HB2 GLN 127 - HB2 PRO 117 OK 21 98 - 21 - 4044=2, 1.8/4054=2...(8) HB3 GLN 27 - HB2 PRO 117 OK 19 81 - 24 - 1.8/706=3, 715=3...(12) HB2 LEU 62 - HB2 PRO 117 lone 6 98 - 6 - Peak 3699 from cnoeabs.peaks (2.05, 2.36, 32.10 ppm; 3.03 A): 3 out of 8 assignments used, quality = 1.00: * HG3 PRO 117 + HB2 PRO 117 OK 100 100 - 100 - 2.3=100 HG2 PRO 117 + HB2 PRO 117 OK 98 98 - 100 - 2.3=100 HG3 PRO 81 + HB2 PRO 117 OK 58 100 - 58 - ~11891=8, 3720=8...(22) HB VAL 118 - HB2 PRO 117 OK 23 87 - 27 - ~11528=8, 3736/4.3=7...(9) HB2 GLN 127 - HB2 PRO 117 OK 18 87 - 20 - 4044=2, 1.8/4054=2...(8) HB2 LEU 62 - HB2 PRO 117 lone 5 87 - 5 - HB3 GLU 55 - HB2 PRO 117 lone 4 65 - 6 - 3.8/3702=2 QE MET 11 - HB2 PRO 117 lone 0 57 - 1 - Peak 3700 from cnoeabs.peaks (3.86, 2.36, 32.10 ppm; 4.33 A): 2 out of 3 assignments used, quality = 1.00: * HD2 PRO 117 + HB2 PRO 117 OK 100 100 - 100 - 3.0=100 HD2 PRO 81 + HB2 PRO 117 OK 64 73 - 88 - 3708/1.8=15, ~11891=14...(32) HB3 SER 33 - HB2 PRO 117 lone 4 73 - 5 - 3708/1.8=1 Peak 3701 from cnoeabs.peaks (3.95, 2.36, 32.10 ppm; 4.31 A): 1 out of 7 assignments used, quality = 1.00: * HD3 PRO 117 + HB2 PRO 117 OK 100 100 - 100 - 3.0=100 HB3 SER 107 - HB2 PRO 117 OK 12 73 - 16 - 3709/1.8=3, 7638/4.3=3...(6) HA2 GLY 17 - HB2 PRO 117 poor 9 65 - 14 - 3709/1.8=2, 3693/2.3=2...(6) HA3 GLY 17 - HB2 PRO 117 poor 9 65 - 14 - 3709/1.8=2, 3693/2.3=2...(6) HA3 GLY 111 - HB2 PRO 117 lone 7 81 - 8 - 3709/1.8=2, 3693/2.3=2 HA LEU 100 - HB2 PRO 117 lone 4 65 - 6 - 3677/3.0=1, 3709/1.8=1 HB2 SER 51 - HB2 PRO 117 lone 2 57 - 3 - Peak 3702 from cnoeabs.peaks (7.75, 2.36, 32.10 ppm; 4.85 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 118 + HB2 PRO 117 OK 100 100 - 100 - 4.3=100 H GLU 55 - HB2 PRO 117 OK 38 98 - 38 - 3710/1.8=10, 3694/2.3=9...(7) HE22 GLN 68 - HB2 PRO 117 OK 22 92 - 24 - 3710/1.8=6, 3694/2.3=5...(6) Peak 3703 from cnoeabs.peaks (4.37, 2.01, 32.10 ppm; 3.51 A): 1 out of 2 assignments used, quality = 1.00: * HA PRO 117 + HB3 PRO 117 OK 100 100 - 100 - 2.3=100 HA PRO 113 - HB3 PRO 117 OK 37 92 - 40 - 3695/1.8=10, 3679/3.0=6...(11) Peak 3704 from cnoeabs.peaks (2.36, 2.01, 32.10 ppm; 2.83 A): 1 out of 5 assignments used, quality = 1.00: * HB2 PRO 117 + HB3 PRO 117 OK 100 100 - 100 - 1.8=100 HG3 GLN 27 - HB3 PRO 117 OK 24 98 - 24 - 3688/2.3=4, 731/2.3=3...(9) HG2 GLN 27 - HB3 PRO 117 OK 14 65 - 22 - ~3688=2, 3688/2.3=2...(10) HG2 GLN 127 - HB3 PRO 117 OK 13 81 - 16 - 3688/2.3=2, 4061/2.3=2...(8) HG2 GLU 102 - HB3 PRO 117 lone 6 98 - 6 - 3688/2.3=1 Peak 3705 from cnoeabs.peaks (2.01, 2.01, 32.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 PRO 117 + HB3 PRO 117 OK 100 100 - 100 Peak 3706 from cnoeabs.peaks (2.05, 2.01, 32.10 ppm; 2.84 A): 3 out of 8 assignments used, quality = 1.00: * HG2 PRO 117 + HB3 PRO 117 OK 100 100 - 100 - 2.3=100 HG3 PRO 117 + HB3 PRO 117 OK 98 98 - 100 - 2.3=100 HG3 PRO 81 + HB3 PRO 117 OK 55 99 - 56 - 2.3/11891=13, 3713=6...(22) HB VAL 118 - HB3 PRO 117 OK 28 98 - 29 - 2.1/11528=9, 4.0/7634=8...(10) HG3 PRO 113 - HB3 PRO 117 OK 24 81 - 29 - 3.8/3703=4, 3618/2.3=4...(13) HB3 GLN 27 - HB3 PRO 117 OK 16 81 - 20 - 3.0/3704=3, 3.0/3704=2...(9) HB2 GLN 127 - HB3 PRO 117 OK 16 98 - 16 - 4044/1.8=2, 3.0/3704=2...(5) HB2 LEU 62 - HB3 PRO 117 lone 5 98 - 5 - Peak 3707 from cnoeabs.peaks (2.05, 2.01, 32.10 ppm; 2.84 A): 3 out of 8 assignments used, quality = 1.00: * HG3 PRO 117 + HB3 PRO 117 OK 100 100 - 100 - 2.3=100 HG2 PRO 117 + HB3 PRO 117 OK 98 98 - 100 - 2.3=100 HG3 PRO 81 + HB3 PRO 117 OK 56 100 - 56 - 2.3/11891=13, 3721=6...(22) HB VAL 118 - HB3 PRO 117 OK 23 87 - 27 - 2.1/11528=9, 4.0/7634=8...(9) HB2 GLN 127 - HB3 PRO 117 OK 13 87 - 15 - 3.0/3704=2, 3699/1.8=2...(5) HB2 LEU 62 - HB3 PRO 117 lone 4 87 - 4 - HB3 GLU 55 - HB3 PRO 117 lone 4 65 - 6 - 3.8/3710=2 QE MET 11 - HB3 PRO 117 lone 0 57 - 1 - Peak 3708 from cnoeabs.peaks (3.86, 2.01, 32.10 ppm; 4.22 A): 2 out of 3 assignments used, quality = 1.00: * HD2 PRO 117 + HB3 PRO 117 OK 100 100 - 100 - 3.0=100 HD2 PRO 81 + HB3 PRO 117 OK 65 73 - 89 - 3.0/11891=21...(35) HB3 SER 33 - HB3 PRO 117 lone 4 73 - 5 - Peak 3709 from cnoeabs.peaks (3.95, 2.01, 32.10 ppm; 3.93 A): 1 out of 7 assignments used, quality = 1.00: * HD3 PRO 117 + HB3 PRO 117 OK 100 100 - 100 - 3.0=100 HB3 SER 107 - HB3 PRO 117 OK 11 73 - 15 - 3701/1.8=3, 7638/4.3=2...(7) HA2 GLY 17 - HB3 PRO 117 poor 8 65 - 12 - 3701/1.8=2, 3693/2.3=2...(5) HA3 GLY 17 - HB3 PRO 117 poor 8 65 - 12 - 3701/1.8=2, 3693/2.3=2...(5) HA3 GLY 111 - HB3 PRO 117 lone 6 81 - 7 - 3701/1.8=2, 3693/2.3=1 HA LEU 100 - HB3 PRO 117 lone 3 65 - 5 - HB2 SER 51 - HB3 PRO 117 lone 1 57 - 2 - Peak 3710 from cnoeabs.peaks (7.75, 2.01, 32.10 ppm; 4.48 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 118 + HB3 PRO 117 OK 100 100 - 100 - 4.3=100 H GLU 55 - HB3 PRO 117 OK 36 98 - 37 - 3702/1.8=8, 3694/2.3=7...(10) HE22 GLN 68 - HB3 PRO 117 OK 21 92 - 22 - 3702/1.8=5, 3694/2.3=4...(7) Peak 3711 from cnoeabs.peaks (4.37, 2.05, 27.30 ppm; 3.39 A): 3 out of 6 assignments used, quality = 0.95: * HA PRO 117 + HG2 PRO 117 OK 76 100 - 76 - 3.8=68, 3691/1.8=10...(4) HA PRO 117 + HG3 PRO 117 OK 65 87 - 75 - 3.8=68, 3691/1.8=10...(4) HA PRO 117 + HG3 PRO 81 OK 43 96 - 45 - ~11891=9, 3691=8...(11) HA PRO 113 - HG2 PRO 117 OK 35 92 - 38 - 3695/2.3=8, 3703/2.3=8...(11) HA PRO 113 - HG3 PRO 117 OK 25 75 - 34 - 3695/2.3=8, 3703/2.3=8...(7) HA PRO 113 - HG3 PRO 81 lone 3 84 - 4 - Peak 3712 from cnoeabs.peaks (2.36, 2.05, 27.30 ppm; 3.07 A): 3 out of 15 assignments used, quality = 1.00: * HB2 PRO 117 + HG2 PRO 117 OK 100 100 - 100 - 2.3=100 HB2 PRO 117 + HG3 PRO 117 OK 87 87 - 100 - 2.3=100 HB2 PRO 117 + HG3 PRO 81 OK 57 96 - 60 - 3699=9, ~11891=8...(22) HG3 GLN 27 - HG2 PRO 117 OK 28 98 - 29 - 3704/2.3=5, 731=3...(10) HG3 GLN 27 - HG3 PRO 117 OK 23 83 - 28 - 3704/2.3=5, 731/1.8=4...(9) HG2 GLN 127 - HG2 PRO 117 OK 22 81 - 27 - 1.8/4070=3, 4061=3...(11) HG2 GLN 27 - HG2 PRO 117 OK 17 65 - 26 - 3704/2.3=3, 1.8/731=3...(10) HG2 GLN 127 - HG3 PRO 117 OK 16 64 - 25 - 3704/2.3=3, 1.8/4070=2...(12) HG2 GLN 27 - HG3 PRO 117 OK 12 50 - 24 - 3704/2.3=3, ~3704=3...(9) HG2 GLU 102 - HG2 PRO 117 lone 6 98 - 6 - 3704/2.3=1 HG2 GLU 102 - HG3 PRO 117 lone 5 83 - 6 - 3704/2.3=1 HG2 GLN 127 - HG3 PRO 81 lone 5 73 - 6 - HG3 GLN 27 - HG3 PRO 81 lone 3 92 - 3 - HG2 GLN 27 - HG3 PRO 81 lone 2 58 - 3 - HG2 GLU 102 - HG3 PRO 81 lone 1 92 - 1 - Peak 3713 from cnoeabs.peaks (2.01, 2.05, 27.30 ppm; 2.50 A): 2 out of 18 assignments used, quality = 1.00: * HB3 PRO 117 + HG2 PRO 117 OK 100 100 - 100 - 2.3=100 HB3 PRO 117 + HG3 PRO 117 OK 87 87 - 100 - 2.3=100 HB3 PRO 117 - HG3 PRO 81 OK 42 96 - 45 - 11891/2.3=10, 3707=6...(18) HB ILE 129 - HG3 PRO 81 OK 23 79 - 29 - 11891/2.3=6, ~9714=5...(15) HG2 PRO 56 - HG2 PRO 117 OK 14 100 - 14 - 3697/2.3=3, 3673/2.3=2...(7) HG3 PRO 56 - HG2 PRO 117 OK 14 100 - 14 - 3697/2.3=3, 3673/2.3=2...(7) HG3 PRO 56 - HG3 PRO 117 OK 12 86 - 14 - 3697/2.3=3, 3673/2.3=2...(7) HG2 PRO 56 - HG3 PRO 117 OK 12 86 - 14 - 3697/2.3=3, 3673/2.3=2...(7) HB3 PRO 56 - HG2 PRO 117 poor 7 73 - 10 - 3697/2.3=1, 3673/2.3=1...(5) HB3 PRO 56 - HG3 PRO 117 poor 6 57 - 10 - 3697/2.3=1, 3673/2.3=1...(5) HG2 PRO 56 - HG3 PRO 81 lone 5 95 - 5 - 11891/2.3=1 HG3 PRO 56 - HG3 PRO 81 lone 5 95 - 5 - 11891/2.3=1 HB ILE 129 - HG2 PRO 117 lone 3 87 - 4 - HB3 PRO 56 - HG3 PRO 81 lone 3 66 - 4 - HB ILE 129 - HG3 PRO 117 lone 3 70 - 4 - HB VAL 20 - HG2 PRO 117 lone 2 81 - 2 - HB VAL 20 - HG3 PRO 81 lone 1 73 - 2 - HB VAL 20 - HG3 PRO 117 lone 1 64 - 2 - Peak 3714 from cnoeabs.peaks (2.05, 2.05, 27.30 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG2 PRO 117 + HG2 PRO 117 OK 100 100 - 100 HG3 PRO 81 + HG3 PRO 81 OK 94 94 - 100 HG3 PRO 117 + HG3 PRO 117 OK 83 83 - 100 Peak 3715 from cnoeabs.peaks (2.05, 2.05, 27.30 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HG2 PRO 117 + HG2 PRO 117 OK 98 98 - 100 HG3 PRO 81 + HG3 PRO 81 OK 95 95 - 100 HG3 PRO 117 + HG3 PRO 117 OK 87 87 - 100 Reference assignment not found: HG3 PRO 117 - HG2 PRO 117 Peak 3716 from cnoeabs.peaks (3.86, 2.05, 27.30 ppm; 3.13 A): 5 out of 9 assignments used, quality = 1.00: * HD2 PRO 117 + HG2 PRO 117 OK 100 100 - 100 - 2.3=100 HD2 PRO 117 + HG3 PRO 117 OK 87 87 - 100 - 2.3=100 HD2 PRO 81 + HG3 PRO 81 OK 66 66 - 100 - 2.3=100 HD2 PRO 117 + HG3 PRO 81 OK 54 96 - 57 - 11897/2.3=10, 3675=7...(18) HD2 PRO 81 + HG2 PRO 117 OK 52 73 - 70 - 3684/2.3=9, 2.3/2491=8...(31) HD2 PRO 81 - HG3 PRO 117 OK 40 57 - 70 - 3684/2.3=9, 2.3/2491=9...(31) HB3 SER 33 - HG2 PRO 117 lone 2 73 - 3 - HB3 SER 33 - HG3 PRO 117 lone 2 57 - 3 - HB3 SER 33 - HG3 PRO 81 lone 1 66 - 2 - Peak 3717 from cnoeabs.peaks (3.95, 2.05, 27.30 ppm; 3.11 A): 3 out of 21 assignments used, quality = 1.00: * HD3 PRO 117 + HG2 PRO 117 OK 100 100 - 100 - 2.3=100 HD3 PRO 117 + HG3 PRO 117 OK 87 87 - 100 - 2.3=100 HD3 PRO 117 + HG3 PRO 81 OK 57 96 - 59 - 3684/2.3=9, 3683=8...(21) HB3 SER 107 - HG2 PRO 117 lone 6 73 - 9 - 3709/2.3=2, 3677/2.3=2...(4) HB3 SER 107 - HG3 PRO 117 lone 5 57 - 9 - 3709/2.3=2, 3677/2.3=2...(4) HA2 GLY 17 - HG2 PRO 117 lone 4 65 - 7 - 3709/2.3=1, 3677/2.3=1 HA3 GLY 17 - HG2 PRO 117 lone 4 65 - 7 - 3709/2.3=1, 3677/2.3=1 HA3 GLY 111 - HG2 PRO 117 lone 4 81 - 5 - 3677/2.3=1 HA2 GLY 17 - HG3 PRO 117 lone 3 50 - 7 - 3709/2.3=1, 3677/2.3=1 HA3 GLY 17 - HG3 PRO 117 lone 3 50 - 7 - 3709/2.3=1, 3677/2.3=1 HA3 GLY 111 - HG3 PRO 117 lone 3 64 - 4 - 3677/2.3=1 HA LEU 100 - HG2 PRO 117 lone 2 65 - 3 - HA LEU 100 - HG3 PRO 117 lone 1 50 - 3 - HB3 SER 107 - HG3 PRO 81 lone 1 66 - 1 - HB2 SER 51 - HG2 PRO 117 lone 1 57 - 1 - HB2 SER 51 - HG3 PRO 117 lone 1 44 - 1 - HA3 GLY 111 - HG3 PRO 81 lone 0 73 - 1 - HA LEU 100 - HG3 PRO 81 lone 0 58 - 1 - HA3 GLY 17 - HG3 PRO 81 lone 0 58 - 1 - HA2 GLY 17 - HG3 PRO 81 lone 0 58 - 1 - HB2 SER 51 - HG3 PRO 81 lone 0 51 - 0 - Peak 3718 from cnoeabs.peaks (7.75, 2.05, 27.30 ppm; 4.11 A): 3 out of 9 assignments used, quality = 0.95: * H VAL 118 + HG2 PRO 117 OK 76 100 - 76 - 7634/2.3=27, 7637/2.3=24...(12) H VAL 118 + HG3 PRO 117 OK 65 87 - 75 - 7634/2.3=27, 7637/2.3=24...(12) H VAL 118 + HG3 PRO 81 OK 35 96 - 36 - 7637/2.3=9, 3.6/3711=6...(12) H GLU 55 - HG2 PRO 117 OK 31 98 - 32 - 3710/2.3=7, 3702/2.3=6...(7) H GLU 55 - HG3 PRO 117 OK 23 83 - 28 - 3710/2.3=7, 3702/2.3=6...(5) HE22 GLN 68 - HG2 PRO 117 OK 17 92 - 18 - 3710/2.3=4, 3702/2.3=4...(5) HE22 GLN 68 - HG3 PRO 117 OK 14 75 - 18 - 3710/2.3=4, 3702/2.3=4...(5) H GLU 55 - HG3 PRO 81 lone 8 92 - 9 - 4.6/11265=2, 6692/1.8=2 HE22 GLN 68 - HG3 PRO 81 lone 2 84 - 3 - Peak 3719 from cnoeabs.peaks (4.37, 2.05, 27.30 ppm; 3.39 A): 3 out of 6 assignments used, quality = 0.95: * HA PRO 117 + HG3 PRO 117 OK 75 100 - 75 - 3.8=68, 3691/1.8=10...(5) HA PRO 117 + HG2 PRO 117 OK 65 87 - 75 - 3.8=68, 3691/1.8=10...(5) HA PRO 117 + HG3 PRO 81 OK 45 99 - 46 - ~11891=9, 3691=8...(11) HA PRO 113 - HG3 PRO 117 OK 31 92 - 34 - 3695/2.3=8, 3703/2.3=8...(7) HA PRO 113 - HG2 PRO 117 OK 24 75 - 33 - 3695/2.3=8, 3703/2.3=8...(8) HA PRO 113 - HG3 PRO 81 lone 3 90 - 4 - Peak 3720 from cnoeabs.peaks (2.36, 2.05, 27.30 ppm; 3.07 A): 3 out of 15 assignments used, quality = 1.00: * HB2 PRO 117 + HG3 PRO 117 OK 100 100 - 100 - 2.3=100 HB2 PRO 117 + HG2 PRO 117 OK 87 87 - 100 - 2.3=100 HB2 PRO 117 + HG3 PRO 81 OK 60 99 - 60 - 3699=9, ~11891=8...(22) HG3 GLN 27 - HG3 PRO 117 OK 27 98 - 28 - 3704/2.3=5, 731/1.8=4...(9) HG3 GLN 27 - HG2 PRO 117 OK 21 83 - 25 - 3704/2.3=5, 3688/3.8=3...(9) HG2 GLN 127 - HG3 PRO 117 OK 19 81 - 24 - 3704/2.3=3, 4061/1.8=2...(11) HG2 GLN 27 - HG3 PRO 117 OK 16 65 - 24 - 3704/2.3=3, ~3704=3...(9) HG2 GLN 127 - HG2 PRO 117 OK 16 64 - 25 - 3704/2.3=3, 1.8/4070=2...(11) HG2 GLN 27 - HG2 PRO 117 OK 11 50 - 22 - 3704/2.3=3, ~3704=3...(8) HG2 GLU 102 - HG3 PRO 117 lone 6 98 - 6 - 3704/2.3=1 HG2 GLU 102 - HG2 PRO 117 lone 5 83 - 6 - 3704/2.3=1 HG2 GLN 127 - HG3 PRO 81 lone 5 79 - 6 - HG3 GLN 27 - HG3 PRO 81 lone 3 97 - 3 - HG2 GLN 27 - HG3 PRO 81 lone 2 64 - 2 - HG2 GLU 102 - HG3 PRO 81 lone 1 97 - 1 - Peak 3721 from cnoeabs.peaks (2.01, 2.05, 27.30 ppm; 2.50 A): 2 out of 18 assignments used, quality = 1.00: * HB3 PRO 117 + HG3 PRO 117 OK 100 100 - 100 - 2.3=100 HB3 PRO 117 + HG2 PRO 117 OK 87 87 - 100 - 2.3=100 HB3 PRO 117 - HG3 PRO 81 OK 45 99 - 45 - 11891/2.3=10, 3707=6...(18) HB ILE 129 - HG3 PRO 81 OK 25 85 - 30 - 11891/2.3=6, ~9714=5...(15) HG2 PRO 56 - HG3 PRO 117 OK 14 100 - 14 - 3697/2.3=3, 3673/2.3=2...(7) HG3 PRO 56 - HG3 PRO 117 OK 14 100 - 14 - 3697/2.3=3, 3673/2.3=2...(7) HG3 PRO 56 - HG2 PRO 117 OK 12 86 - 14 - 3697/2.3=3, 3673/2.3=2...(7) HG2 PRO 56 - HG2 PRO 117 OK 12 86 - 14 - 3697/2.3=3, 3673/2.3=2...(7) HB3 PRO 56 - HG3 PRO 117 poor 7 73 - 10 - 3697/2.3=1, 3673/2.3=1...(5) HB3 PRO 56 - HG2 PRO 117 poor 6 57 - 10 - 3697/2.3=1, 3673/2.3=1...(5) HG2 PRO 56 - HG3 PRO 81 lone 5 99 - 5 - 11891/2.3=1 HG3 PRO 56 - HG3 PRO 81 lone 5 99 - 5 - 11891/2.3=1 HB ILE 129 - HG3 PRO 117 lone 4 87 - 4 - HB3 PRO 56 - HG3 PRO 81 lone 3 71 - 4 - HB ILE 129 - HG2 PRO 117 lone 3 70 - 4 - HB VAL 20 - HG3 PRO 117 lone 2 81 - 2 - HB VAL 20 - HG3 PRO 81 lone 1 79 - 2 - HB VAL 20 - HG2 PRO 117 lone 1 64 - 2 - Peak 3722 from cnoeabs.peaks (2.05, 2.05, 27.30 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HG3 PRO 81 + HG3 PRO 81 OK 98 98 - 100 HG3 PRO 117 + HG3 PRO 117 OK 98 98 - 100 HG2 PRO 117 + HG2 PRO 117 OK 87 87 - 100 Reference assignment not found: HG2 PRO 117 - HG3 PRO 117 Peak 3723 from cnoeabs.peaks (2.05, 2.05, 27.30 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG3 PRO 117 + HG3 PRO 117 OK 100 100 - 100 HG3 PRO 81 + HG3 PRO 81 OK 99 99 - 100 HG2 PRO 117 + HG2 PRO 117 OK 83 83 - 100 Peak 3724 from cnoeabs.peaks (3.86, 2.05, 27.30 ppm; 3.13 A): 5 out of 9 assignments used, quality = 1.00: * HD2 PRO 117 + HG3 PRO 117 OK 100 100 - 100 - 2.3=100 HD2 PRO 117 + HG2 PRO 117 OK 87 87 - 100 - 2.3=100 HD2 PRO 81 + HG3 PRO 81 OK 71 71 - 100 - 2.3=100 HD2 PRO 117 + HG3 PRO 81 OK 57 99 - 58 - 11897/2.3=10, 3675=8...(18) HD2 PRO 81 + HG3 PRO 117 OK 52 73 - 71 - 2.3/2491=9, 3684/2.3=9...(31) HD2 PRO 81 - HG2 PRO 117 OK 41 57 - 71 - 3684/2.3=9, 2.3/2491=9...(31) HB3 SER 33 - HG3 PRO 117 lone 2 73 - 2 - HB3 SER 33 - HG2 PRO 117 lone 2 57 - 3 - HB3 SER 33 - HG3 PRO 81 lone 1 71 - 2 - Peak 3725 from cnoeabs.peaks (3.95, 2.05, 27.30 ppm; 3.11 A): 3 out of 21 assignments used, quality = 1.00: * HD3 PRO 117 + HG3 PRO 117 OK 100 100 - 100 - 2.3=100 HD3 PRO 117 + HG2 PRO 117 OK 87 87 - 100 - 2.3=100 HD3 PRO 117 + HG3 PRO 81 OK 59 99 - 60 - 3684/2.3=9, 3683=8...(21) HB3 SER 107 - HG3 PRO 117 lone 6 73 - 8 - 3709/2.3=2, 3677/2.3=2...(4) HB3 SER 107 - HG2 PRO 117 lone 5 57 - 9 - 3709/2.3=2, 3677/2.3=2...(4) HA3 GLY 17 - HG3 PRO 117 lone 4 65 - 7 - 3709/2.3=1, 3677/2.3=1 HA2 GLY 17 - HG3 PRO 117 lone 4 65 - 7 - 3709/2.3=1, 3677/2.3=1 HA3 GLY 111 - HG3 PRO 117 lone 4 81 - 4 - 3677/2.3=1 HA3 GLY 17 - HG2 PRO 117 lone 3 50 - 7 - 3709/2.3=1, 3677/2.3=1 HA2 GLY 17 - HG2 PRO 117 lone 3 50 - 7 - 3709/2.3=1, 3677/2.3=1 HA3 GLY 111 - HG2 PRO 117 lone 3 64 - 4 - 3677/2.3=1 HA LEU 100 - HG3 PRO 117 lone 2 65 - 3 - HA LEU 100 - HG2 PRO 117 lone 1 50 - 3 - HB3 SER 107 - HG3 PRO 81 lone 1 71 - 1 - HB2 SER 51 - HG3 PRO 117 lone 1 57 - 1 - HB2 SER 51 - HG2 PRO 117 lone 1 44 - 1 - HA3 GLY 111 - HG3 PRO 81 lone 1 79 - 1 - HA LEU 100 - HG3 PRO 81 lone 1 64 - 1 - HA3 GLY 17 - HG3 PRO 81 lone 0 64 - 1 - HA2 GLY 17 - HG3 PRO 81 lone 0 64 - 1 - HB2 SER 51 - HG3 PRO 81 lone 0 56 - 0 - Peak 3726 from cnoeabs.peaks (7.75, 2.05, 27.30 ppm; 4.11 A): 3 out of 9 assignments used, quality = 0.94: * H VAL 118 + HG3 PRO 117 OK 75 100 - 75 - 7634/2.3=27, 7637/2.3=24...(13) H VAL 118 + HG2 PRO 117 OK 65 87 - 75 - 7634/2.3=27, 7637/2.3=24...(12) H VAL 118 + HG3 PRO 81 OK 36 99 - 36 - 7637/2.3=9, 3.6/3719=6...(11) H GLU 55 - HG3 PRO 117 OK 30 98 - 31 - 3710/2.3=7, 3702/2.3=6...(6) H GLU 55 - HG2 PRO 117 OK 26 83 - 32 - 3710/2.3=7, 3702/2.3=6...(7) HE22 GLN 68 - HG3 PRO 117 OK 17 92 - 18 - 3710/2.3=4, 3702/2.3=4...(5) HE22 GLN 68 - HG2 PRO 117 OK 14 75 - 18 - 3710/2.3=4, 3702/2.3=4...(5) H GLU 55 - HG3 PRO 81 poor 10 97 - 10 - 4.6/11265=3, 6692/1.8=2 HE22 GLN 68 - HG3 PRO 81 lone 3 90 - 3 - Peak 3727 from cnoeabs.peaks (7.75, 3.81, 65.23 ppm; 3.99 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 118 + HA VAL 118 OK 100 100 - 100 - 2.8=100 H GLU 55 - HA VAL 118 OK 30 98 - 30 - 6687/3.5=9, 3736/3.0=7...(7) HE22 GLN 68 - HA VAL 118 OK 20 92 - 22 - 3748/3.2=5, 3736/3.0=4...(7) Peak 3728 from cnoeabs.peaks (3.81, 3.81, 65.23 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 118 + HA VAL 118 OK 100 100 - 100 Peak 3729 from cnoeabs.peaks (2.06, 3.81, 65.23 ppm; 4.02 A): 3 out of 8 assignments used, quality = 1.00: * HB VAL 118 + HA VAL 118 OK 100 100 - 100 - 3.0=100 HG2 PRO 117 + HA VAL 118 OK 72 98 - 73 - ~7634=13, ~7637=12...(25) HG3 PRO 117 + HA VAL 118 OK 63 87 - 73 - ~7634=13, ~7637=12...(25) HB3 GLN 27 - HA VAL 118 OK 31 96 - 32 - ~10266=7, ~10268=6...(12) HB2 GLN 127 - HA VAL 118 OK 30 100 - 30 - 3.0/4037=4, 4.5/10419=4...(12) HG3 PRO 81 - HA VAL 118 OK 21 92 - 23 - ~11537=6, ~7637=4...(8) HG3 PRO 113 - HA VAL 118 OK 14 96 - 14 - 7640/2.8=2, ~3614=2...(9) HB2 LEU 62 - HA VAL 118 lone 7 100 - 7 - Peak 3730 from cnoeabs.peaks (0.90, 3.81, 65.23 ppm; 3.65 A): 1 out of 5 assignments used, quality = 1.00: * QG1 VAL 118 + HA VAL 118 OK 100 100 - 100 - 3.2=100 QD1 LEU 22 - HA VAL 118 OK 29 92 - 32 - 7649/3.5=7, 3739/3.0=5...(10) QG2 VAL 20 - HA VAL 118 OK 14 73 - 19 - ~10270=3, 3739/3.0=2...(10) QG1 VAL 20 - HA VAL 118 OK 14 73 - 19 - ~10270=3, 3739/3.0=2...(8) QD2 LEU 48 - HA VAL 118 lone 5 65 - 8 - ~11916=3, 3751/3.2=1 Peak 3731 from cnoeabs.peaks (1.01, 3.81, 65.23 ppm; 3.49 A): 1 out of 3 assignments used, quality = 1.00: * QG2 VAL 118 + HA VAL 118 OK 100 100 - 100 - 3.2=100 QD1 LEU 69 - HA VAL 118 OK 22 100 - 22 - 3740/3.0=5, 3746/3.2=4...(8) QG2 VAL 105 - HA VAL 118 OK 10 87 - 12 - 7642/2.8=3, 3746/3.2=3...(5) Peak 3732 from cnoeabs.peaks (7.54, 3.81, 65.23 ppm; 5.41 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 119 + HA VAL 118 OK 100 100 - 100 - 3.5=100 HE22 GLN 27 - HA VAL 118 OK 40 73 - 55 - ~10266=12, ~10268=11...(12) H THR 54 - HA VAL 118 OK 40 81 - 50 - 7643/2.8=10, ~9269=9...(11) H VAL 77 - HA VAL 118 OK 24 100 - 23 - 3754/4.9=6, 7643/2.8=5...(7) Peak 3733 from cnoeabs.peaks (8.12, 3.81, 65.23 ppm; 4.62 A): 1 out of 3 assignments used, quality = 0.84: * H ASN 121 + HA VAL 118 OK 84 100 - 84 - 7689=36, 7658/3.5=25...(10) H GLU 91 - HA VAL 118 lone 6 96 - 6 - 7658/3.5=2, 3848/3735=1 H PHE 87 - HA VAL 118 lone 5 92 - 6 - 7658/3.5=2, 3848/3735=1 Peak 3734 from cnoeabs.peaks (2.80, 3.81, 65.23 ppm; 4.64 A): 3 out of 4 assignments used, quality = 0.98: * HB2 ASN 121 + HA VAL 118 OK 88 100 - 88 - 1.8/3735=34, 3.8/3733=25...(15) HB3 ASN 120 + HA VAL 118 OK 60 99 - 60 - 4.4/3733=22, 3.8/7661=15...(12) HB2 ASN 120 + HA VAL 118 OK 60 99 - 60 - 4.4/3733=22, 3.8/7661=15...(12) HB3 ASP 64 - HA VAL 118 OK 14 98 - 14 - ~9414=6, ~9412=5, 11541/3.2=3 Peak 3735 from cnoeabs.peaks (2.98, 3.81, 65.23 ppm; 4.32 A): 1 out of 4 assignments used, quality = 0.79: * HB3 ASN 121 + HA VAL 118 OK 79 100 - 79 - 3.8/3733=21...(12) HE3 LYS 26 - HA VAL 118 lone 8 81 - 10 - ~11540=4, ~11543=2, 11543/3.0=2 HE2 LYS 26 - HA VAL 118 lone 8 81 - 10 - ~11540=4, ~11543=2, 11543/3.0=2 HE3 LYS 31 - HA VAL 118 lone 4 81 - 5 - ~11540=2 Peak 3736 from cnoeabs.peaks (7.75, 2.06, 31.53 ppm; 3.53 A): 3 out of 3 assignments used, quality = 0.93: * H VAL 118 + HB VAL 118 OK 89 100 - 89 - 4.0=71, 7642/2.1=29...(10) H GLU 55 + HB VAL 118 OK 25 98 - 26 - 3748/2.1=6, 3742/2.1=6...(6) HE22 GLN 68 + HB VAL 118 OK 15 92 - 16 - 3748/2.1=6, 3742/2.1=3...(5) Peak 3737 from cnoeabs.peaks (3.81, 2.06, 31.53 ppm; 3.89 A): 1 out of 3 assignments used, quality = 1.00: * HA VAL 118 + HB VAL 118 OK 100 100 - 100 - 3.0=100 HD3 PRO 58 - HB VAL 118 OK 32 96 - 34 - 3743/2.1=8, 3749/2.1=7...(9) HB2 SER 130 - HB VAL 118 OK 12 87 - 13 - 3743/2.1=3, 3749/2.1=2...(6) Peak 3738 from cnoeabs.peaks (2.06, 2.06, 31.53 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB VAL 118 + HB VAL 118 OK 100 100 - 100 Peak 3739 from cnoeabs.peaks (0.90, 2.06, 31.53 ppm; 3.06 A): 1 out of 5 assignments used, quality = 1.00: * QG1 VAL 118 + HB VAL 118 OK 100 100 - 100 - 2.1=100 QD1 LEU 22 - HB VAL 118 OK 24 92 - 27 - 3751/2.1=4, 2.1/10258=4...(10) QG2 VAL 20 - HB VAL 118 OK 11 73 - 15 - ~10270=3, 3751/2.1=3...(5) QG1 VAL 20 - HB VAL 118 OK 11 73 - 15 - ~10270=3, 3751/2.1=2...(5) QD2 LEU 48 - HB VAL 118 lone 4 65 - 6 - ~11916=2, 3751/2.1=1 Peak 3740 from cnoeabs.peaks (1.01, 2.06, 31.53 ppm; 3.10 A): 1 out of 3 assignments used, quality = 1.00: * QG2 VAL 118 + HB VAL 118 OK 100 100 - 100 - 2.1=100 QD1 LEU 69 - HB VAL 118 OK 20 100 - 20 - 3746/2.1=4, 3731/3.0=3...(8) QG2 VAL 105 - HB VAL 118 poor 10 87 - 11 - 3746/2.1=3, 3731/3.0=2...(6) Peak 3741 from cnoeabs.peaks (7.54, 2.06, 31.53 ppm; 4.11 A): 4 out of 4 assignments used, quality = 0.95: * H LEU 119 + HB VAL 118 OK 88 100 - 88 - 4.6=70, 7650/2.1=30...(7) HE22 GLN 27 + HB VAL 118 OK 31 73 - 43 - ~10266=9, ~10268=8...(12) H THR 54 + HB VAL 118 OK 24 81 - 29 - 3.0/9269=7, 3747/2.1=6...(6) H VAL 77 + HB VAL 118 OK 15 100 - 15 - 3753/2.1=3, 7643/4.0=3...(6) Peak 3742 from cnoeabs.peaks (7.75, 0.90, 21.66 ppm; 4.36 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 118 + QG1 VAL 118 OK 100 100 - 100 - 3.9=100 H GLU 55 - QG1 VAL 118 OK 42 98 - 43 - 4.2/9275=15, 3736/2.1=9...(6) HE22 GLN 68 - QG1 VAL 118 OK 23 92 - 25 - 3748/2.1=7, 3736/2.1=5...(6) Peak 3743 from cnoeabs.peaks (3.81, 0.90, 21.66 ppm; 3.63 A): 1 out of 3 assignments used, quality = 1.00: * HA VAL 118 + QG1 VAL 118 OK 100 100 - 100 - 3.2=100 HD3 PRO 58 - QG1 VAL 118 OK 30 96 - 32 - 3737/2.1=7, 3749/2.1=7...(10) HB2 SER 130 - QG1 VAL 118 poor 10 87 - 11 - 3737/2.1=3, 3749/2.1=2...(5) Peak 3744 from cnoeabs.peaks (2.06, 0.90, 21.66 ppm; 3.05 A): 1 out of 8 assignments used, quality = 1.00: * HB VAL 118 + QG1 VAL 118 OK 100 100 - 100 - 2.1=100 HG2 PRO 117 - QG1 VAL 118 OK 30 98 - 31 - ~11528=7, 3750/2.1=4...(15) HG3 PRO 117 - QG1 VAL 118 OK 25 87 - 29 - ~11528=7, 3750/2.1=4...(15) HB3 GLN 27 - QG1 VAL 118 OK 23 96 - 25 - 3.0/10268=8, ~10266=5...(8) HB2 GLN 127 - QG1 VAL 118 OK 19 100 - 18 - 1.8/11546=3, 3.0/10268=3...(7) HG3 PRO 81 - QG1 VAL 118 OK 15 92 - 16 - 2.3/11537=8, 7648/4.1=2...(5) HG3 PRO 113 - QG1 VAL 118 poor 10 96 - 10 - ~3614=1, 3750/2.1=1...(6) HB2 LEU 62 - QG1 VAL 118 lone 5 100 - 5 - Peak 3745 from cnoeabs.peaks (0.90, 0.90, 21.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 118 + QG1 VAL 118 OK 100 100 - 100 Peak 3746 from cnoeabs.peaks (1.01, 0.90, 21.66 ppm; 2.76 A): 1 out of 3 assignments used, quality = 1.00: * QG2 VAL 118 + QG1 VAL 118 OK 100 100 - 100 - 2.1=100 QD1 LEU 69 - QG1 VAL 118 OK 16 100 - 16 - 3740/2.1=4, 3731/3.2=3...(8) QG2 VAL 105 - QG1 VAL 118 OK 10 87 - 12 - 3740/2.1=2...(6) Peak 3747 from cnoeabs.peaks (7.54, 0.90, 21.66 ppm; 4.72 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 119 + QG1 VAL 118 OK 100 100 - 100 - 4.1=100 H THR 54 - QG1 VAL 118 OK 40 81 - 50 - 4.0/9275=18, ~9269=9...(9) HE22 GLN 27 - QG1 VAL 118 OK 39 73 - 53 - 3.5/10268=17, ~10266=12...(10) H VAL 77 - QG1 VAL 118 OK 16 100 - 16 - 3741/2.1=4, 3753/2.1=4...(4) Peak 3748 from cnoeabs.peaks (7.75, 1.01, 22.19 ppm; 3.04 A): 3 out of 3 assignments used, quality = 0.83: * H VAL 118 + QG2 VAL 118 OK 75 100 - 75 - 4.0=45, 2.8/3749=20...(7) H GLU 55 + QG2 VAL 118 OK 17 98 - 18 - 3736/2.1=5, 3742/2.1=4...(5) HE22 GLN 68 + QG2 VAL 118 OK 16 92 - 18 - 5.2/10270=5, 4.6/11545=4...(6) Peak 3749 from cnoeabs.peaks (3.81, 1.01, 22.19 ppm; 3.02 A): 2 out of 3 assignments used, quality = 0.93: * HA VAL 118 + QG2 VAL 118 OK 92 100 - 92 - 3.2=85, 2.8/7642=18...(8) HD3 PRO 58 + QG2 VAL 118 OK 20 96 - 20 - 3743/2.1=5, 3737/2.1=5...(9) HB2 SER 130 - QG2 VAL 118 lone 6 87 - 7 - 3737/2.1=2, 3743/2.1=2 Peak 3750 from cnoeabs.peaks (2.06, 1.01, 22.19 ppm; 2.67 A): 1 out of 8 assignments used, quality = 1.00: * HB VAL 118 + QG2 VAL 118 OK 100 100 - 100 - 2.1=100 HG2 PRO 117 - QG2 VAL 118 OK 25 98 - 25 - 2.3/11528=7, 3744/2.1=3...(8) HG3 PRO 117 - QG2 VAL 118 OK 21 87 - 24 - 2.3/11528=7, 3744/2.1=3...(7) HB3 GLN 27 - QG2 VAL 118 OK 19 96 - 20 - 3.0/10266=8, ~10268=3...(6) HB2 GLN 127 - QG2 VAL 118 OK 14 100 - 14 - 1.8/11545=3, 3744/2.1=2...(5) HG3 PRO 81 - QG2 VAL 118 poor 9 92 - 10 - ~11537=3, 3744/2.1=2...(4) HG3 PRO 113 - QG2 VAL 118 lone 7 96 - 7 - 3744/2.1=1, ~3614=1 HB2 LEU 62 - QG2 VAL 118 lone 4 100 - 4 - Peak 3751 from cnoeabs.peaks (0.90, 1.01, 22.19 ppm; 2.58 A): 1 out of 5 assignments used, quality = 1.00: * QG1 VAL 118 + QG2 VAL 118 OK 100 100 - 100 - 2.1=100 QD1 LEU 22 - QG2 VAL 118 OK 16 92 - 17 - 3739/2.1=4, 7649/4.3=3...(9) QG2 VAL 20 - QG2 VAL 118 poor 10 73 - 13 - 3.2/10270=4, 3739/2.1=2 QG1 VAL 20 - QG2 VAL 118 poor 9 73 - 12 - 3.2/10270=4, 3739/2.1=2 QD2 LEU 48 - QG2 VAL 118 lone 4 65 - 6 - 3.1/11916=3 Peak 3752 from cnoeabs.peaks (1.01, 1.01, 22.19 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 118 + QG2 VAL 118 OK 100 100 - 100 Peak 3753 from cnoeabs.peaks (7.54, 1.01, 22.19 ppm; 4.04 A): 1 out of 4 assignments used, quality = 0.94: * H LEU 119 + QG2 VAL 118 OK 94 100 - 94 - 4.3=84, 3.5/3749=26...(6) HE22 GLN 27 - QG2 VAL 118 OK 31 73 - 42 - 3.5/10266=16, ~10268=8...(10) H THR 54 - QG2 VAL 118 OK 22 81 - 28 - ~9269=6, 3747/2.1=6...(6) H VAL 77 - QG2 VAL 118 OK 13 100 - 13 - 3741/2.1=3, 7643/4.0=3...(5) Peak 3754 from cnoeabs.peaks (7.54, 4.03, 57.80 ppm; 4.62 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 119 + HA LEU 119 OK 100 100 - 100 - 2.8=100 H VAL 77 - HA LEU 119 OK 32 100 - 32 - 3773/2.9=6, 3765/2.9=6...(9) H THR 54 - HA LEU 119 OK 31 81 - 39 - 3773/2.9=6, 3789/3.9=6...(10) HE22 GLN 27 - HA LEU 119 OK 11 73 - 15 - 3732/4.9=4, ~726=2...(8) Peak 3755 from cnoeabs.peaks (4.03, 4.03, 57.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 119 + HA LEU 119 OK 100 100 - 100 Peak 3756 from cnoeabs.peaks (1.54, 4.03, 57.80 ppm; 3.96 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LEU 119 + HA LEU 119 OK 100 100 - 100 - 2.9=100 HB2 LEU 22 + HA LEU 119 OK 80 100 - 80 - 3.1/10725=26...(18) HB3 LEU 42 - HA LEU 119 OK 30 100 - 30 - 3775/2.9=5, ~1301=4...(12) Peak 3757 from cnoeabs.peaks (1.87, 4.03, 57.80 ppm; 4.07 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LEU 119 + HA LEU 119 OK 100 100 - 100 - 2.9=100 HB3 LEU 123 + HA LEU 119 OK 67 99 - 68 - 3768/2.9=12, 7665/3.6=12...(14) Peak 3758 from cnoeabs.peaks (1.62, 4.03, 57.80 ppm; 4.04 A): 3 out of 4 assignments used, quality = 1.00: * HG LEU 119 + HA LEU 119 OK 100 100 - 100 - 3.7=100 HG LEU 22 + HA LEU 119 OK 72 92 - 78 - 2.1/10725=33, 394/2.9=13...(17) HB3 LEU 22 + HA LEU 119 OK 72 92 - 78 - 3.1/10725=27...(18) HG3 ARG 23 - HA LEU 119 OK 25 96 - 25 - 3784/2.9=5, 3769/2.9=4...(7) Peak 3759 from cnoeabs.peaks (0.80, 4.03, 57.80 ppm; 3.20 A): 4 out of 4 assignments used, quality = 0.92: * QD2 LEU 119 + HA LEU 119 OK 82 100 - 82 - 3.9=56, 2.1/3760=17...(14) QD1 LEU 122 + HA LEU 119 OK 38 87 - 44 - 4.3/3762=10, 3.1/3764=9...(10) QD2 LEU 49 + HA LEU 119 OK 14 96 - 15 - 3778/2.9=3, 3770/2.9=3...(6) QD1 LEU 53 + HA LEU 119 OK 11 81 - 14 - 7655/2.8=2, 3778/2.9=2...(7) Peak 3760 from cnoeabs.peaks (0.94, 4.03, 57.80 ppm; 3.64 A): 2 out of 3 assignments used, quality = 0.94: * QD1 LEU 119 + HA LEU 119 OK 91 100 - 91 - 4.1=69, 2.1/3759=22...(13) QG2 ILE 37 + HA LEU 119 OK 39 87 - 45 - 3771/2.9=7, 3779/2.9=7...(16) QG1 VAL 57 - HA LEU 119 OK 16 81 - 20 - 3779/2.9=5, 9297/2.8=4...(6) Peak 3761 from cnoeabs.peaks (8.08, 4.03, 57.80 ppm; 4.80 A): 2 out of 5 assignments used, quality = 1.00: * H ASN 120 + HA LEU 119 OK 100 100 - 100 - 3.6=100 HD22 ASN 85 + HA LEU 119 OK 52 92 - 57 - ~10284=17, ~10291=13...(9) H LEU 103 - HA LEU 119 OK 44 92 - 48 - 3.9/3764=9, 7657/2.8=8...(16) H ALA 108 - HA LEU 119 OK 39 96 - 40 - 11474/4.9=22, 7657/2.8=4...(9) H ALA 109 - HA LEU 119 poor 10 87 - 11 - 3805/4.9=2, 3804/4.1=2...(7) Peak 3762 from cnoeabs.peaks (8.18, 4.03, 57.80 ppm; 4.98 A): 1 out of 1 assignment used, quality = 0.91: * H LEU 122 + HA LEU 119 OK 91 100 - 91 - 7675/3.6=36, 3.5/3764=20...(17) Peak 3763 from cnoeabs.peaks (1.61, 4.03, 57.80 ppm; 3.96 A): 4 out of 5 assignments used, quality = 0.95: * HB2 LEU 122 + HA LEU 119 OK 61 100 - 61 - 3.5/3762=19, 1.8/3764=19...(11) HG LEU 122 + HA LEU 119 OK 52 96 - 54 - 4.6/3762=16, 3.0/3764=15...(11) HG LEU 22 + HA LEU 119 OK 50 73 - 68 - 2.1/10725=32...(14) HB3 LEU 22 + HA LEU 119 OK 49 73 - 67 - 3.1/10725=26...(15) HG LEU 70 - HA LEU 119 lone 2 98 - 2 - Peak 3764 from cnoeabs.peaks (1.79, 4.03, 57.80 ppm; 4.06 A): 3 out of 5 assignments used, quality = 0.76: * HB3 LEU 122 + HA LEU 119 OK 60 100 - 60 - 3.5/3762=20, 1.8/3866=14...(11) HB3 LEU 103 + HA LEU 119 OK 32 100 - 32 - ~11426=5, 3875=5...(16) HB3 LEU 123 + HA LEU 119 OK 11 32 - 33 - 3.9/7737=7, ~3922=7...(7) HB2 LYS 86 - HA LEU 119 lone 8 100 - 8 - 9821/3759=2, 7730/3762=2 HB3 LEU 98 - HA LEU 119 lone 3 65 - 5 - Peak 3765 from cnoeabs.peaks (7.54, 1.54, 40.68 ppm; 4.82 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 119 + HB2 LEU 119 OK 100 100 - 100 - 3.9=100 H THR 54 - HB2 LEU 119 OK 34 81 - 43 - ~11774=10, 3773/1.8=8...(8) H VAL 77 - HB2 LEU 119 OK 33 100 - 33 - 3773/1.8=8, 3754/2.9=6...(7) HE22 GLN 27 - HB2 LEU 119 poor 8 73 - 10 - 3754/2.9=2, 3773/1.8=2...(5) Peak 3766 from cnoeabs.peaks (4.03, 1.54, 40.68 ppm; 4.85 A): 2 out of 6 assignments used, quality = 1.00: * HA LEU 119 + HB2 LEU 119 OK 100 100 - 100 - 2.9=100 HA ILE 37 + HB2 LEU 119 OK 57 92 - 62 - 3.2/3771=11, 3798/3.0=10...(16) HB3 SER 124 - HB2 LEU 119 OK 36 96 - 37 - 3774/1.8=8, 3790/3.1=6...(9) HA LEU 103 - HB2 LEU 119 OK 29 65 - 45 - ~3764=6, 3774/1.8=5...(18) HA LYS 95 - HB2 LEU 119 lone 7 87 - 8 - 3774/1.8=1, 3790/3.1=1 HA ARG 135 - HB2 LEU 119 lone 4 73 - 6 - Peak 3767 from cnoeabs.peaks (1.54, 1.54, 40.68 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 119 + HB2 LEU 119 OK 100 100 - 100 Peak 3768 from cnoeabs.peaks (1.87, 1.54, 40.68 ppm; 3.94 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LEU 119 + HB2 LEU 119 OK 100 100 - 100 - 1.8=100 HB3 LEU 123 + HB2 LEU 119 OK 63 99 - 63 - 3757/2.9=12, 3792/3.1=11...(12) Peak 3769 from cnoeabs.peaks (1.62, 1.54, 40.68 ppm; 3.49 A): 3 out of 4 assignments used, quality = 1.00: * HG LEU 119 + HB2 LEU 119 OK 100 100 - 100 - 2.9=100 HB3 LEU 22 + HB2 LEU 119 OK 76 92 - 83 - 386=13, 3.0/394=12...(33) HG LEU 22 + HB2 LEU 119 OK 74 92 - 80 - 394=15, 2.1/402=14...(30) HG3 ARG 23 - HB2 LEU 119 OK 34 96 - 36 - 3784/1.8=5, 3783=4...(15) Peak 3770 from cnoeabs.peaks (0.80, 1.54, 40.68 ppm; 4.06 A): 1 out of 4 assignments used, quality = 1.00: * QD2 LEU 119 + HB2 LEU 119 OK 100 100 - 100 - 3.1=100 QD1 LEU 122 - HB2 LEU 119 OK 44 87 - 51 - 3759/2.9=10, 3778/1.8=9...(14) QD2 LEU 49 - HB2 LEU 119 OK 28 96 - 29 - 3778/1.8=6, 3802/3.0=4...(12) QD1 LEU 53 - HB2 LEU 119 OK 19 81 - 23 - 3778/1.8=4, 4.6/3765=3...(11) Peak 3771 from cnoeabs.peaks (0.94, 1.54, 40.68 ppm; 3.87 A): 2 out of 3 assignments used, quality = 1.00: * QD1 LEU 119 + HB2 LEU 119 OK 100 100 - 100 - 3.0=100 QG2 ILE 37 + HB2 LEU 119 OK 47 87 - 54 - 3779/1.8=10, 3760/2.9=8...(21) QG1 VAL 57 - HB2 LEU 119 OK 22 81 - 27 - 3779/1.8=7, 9297/3.9=5...(9) Peak 3772 from cnoeabs.peaks (8.08, 1.54, 40.68 ppm; 5.63 A): 2 out of 5 assignments used, quality = 1.00: * H ASN 120 + HB2 LEU 119 OK 100 100 - 100 - 4.6=100 HD22 ASN 85 + HB2 LEU 119 OK 72 92 - 78 - ~10291=22, ~10294=20...(11) H LEU 103 - HB2 LEU 119 OK 42 92 - 46 - 7657/3.9=8, 3761/2.9=8...(11) H ALA 108 - HB2 LEU 119 OK 31 96 - 32 - 3761/2.9=7, 3804/3.0=6...(8) H ALA 109 - HB2 LEU 119 OK 11 87 - 13 - 3804/3.0=2, 3796/3.1=2...(6) Peak 3773 from cnoeabs.peaks (7.54, 1.87, 40.68 ppm; 4.73 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 119 + HB3 LEU 119 OK 100 100 - 100 - 3.9=100 H THR 54 - HB3 LEU 119 OK 34 81 - 43 - ~11774=9, 3765/1.8=8...(9) H VAL 77 - HB3 LEU 119 OK 32 100 - 32 - 3765/1.8=7, 3754/2.9=6...(7) HE22 GLN 27 - HB3 LEU 119 poor 8 73 - 11 - 3754/2.9=2, 3765/1.8=2...(5) Peak 3774 from cnoeabs.peaks (4.03, 1.87, 40.68 ppm; 4.62 A): 3 out of 6 assignments used, quality = 1.00: * HA LEU 119 + HB3 LEU 119 OK 100 100 - 100 - 2.9=100 HA ILE 37 + HB3 LEU 119 OK 55 92 - 60 - 3.2/3779=10, 3798/3.0=10...(16) HB3 SER 124 + HB3 LEU 119 OK 49 96 - 51 - 4.0/11551=24, 3790/3.1=6...(12) HA LEU 103 - HB3 LEU 119 OK 28 65 - 42 - ~3764=5, 3.0/3780=5...(17) HA LYS 95 - HB3 LEU 119 lone 8 87 - 8 - 3766/1.8=1, 3790/3.1=1 HA ARG 135 - HB3 LEU 119 lone 4 73 - 5 - Peak 3775 from cnoeabs.peaks (1.54, 1.87, 40.68 ppm; 3.58 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LEU 119 + HB3 LEU 119 OK 100 100 - 100 - 1.8=100 HB2 LEU 22 + HB3 LEU 119 OK 78 100 - 78 - 3783/2.9=11, 3799/3.0=10...(26) HB3 LEU 42 - HB3 LEU 119 OK 28 100 - 28 - ~1301=4, 3756/2.9=4...(11) Peak 3776 from cnoeabs.peaks (1.87, 1.87, 40.68 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 119 + HB3 LEU 119 OK 100 100 - 100 Peak 3777 from cnoeabs.peaks (1.62, 1.87, 40.68 ppm; 3.58 A): 3 out of 4 assignments used, quality = 1.00: * HG LEU 119 + HB3 LEU 119 OK 100 100 - 100 - 2.9=100 HB3 LEU 22 + HB3 LEU 119 OK 72 92 - 78 - 1.8/3775=14, 386/1.8=13...(30) HG LEU 22 + HB3 LEU 119 OK 68 92 - 74 - 394/1.8=14, ~10725=12...(26) HG3 ARG 23 - HB3 LEU 119 OK 34 96 - 36 - 3784=6, 3769/1.8=5...(14) Peak 3778 from cnoeabs.peaks (0.80, 1.87, 40.68 ppm; 3.89 A): 1 out of 4 assignments used, quality = 1.00: * QD2 LEU 119 + HB3 LEU 119 OK 100 100 - 100 - 3.1=100 QD1 LEU 122 - HB3 LEU 119 OK 44 87 - 50 - 3759/2.9=9, 3770/1.8=8...(16) QD2 LEU 49 - HB3 LEU 119 OK 29 96 - 30 - 3770/1.8=5, 3802/3.0=4...(13) QD1 LEU 53 - HB3 LEU 119 OK 18 81 - 23 - 3770/1.8=3, 4.6/3773=3...(11) Peak 3779 from cnoeabs.peaks (0.94, 1.87, 40.68 ppm; 3.66 A): 1 out of 3 assignments used, quality = 1.00: * QD1 LEU 119 + HB3 LEU 119 OK 100 100 - 100 - 3.0=100 QG2 ILE 37 - HB3 LEU 119 OK 43 87 - 49 - 3771/1.8=9, 3760/2.9=8...(19) QG1 VAL 57 - HB3 LEU 119 OK 28 81 - 34 - 4.1/10969=13, 3771/1.8=4...(10) Peak 3780 from cnoeabs.peaks (8.08, 1.87, 40.68 ppm; 4.91 A): 2 out of 5 assignments used, quality = 1.00: * H ASN 120 + HB3 LEU 119 OK 100 100 - 100 - 4.6=100 HD22 ASN 85 + HB3 LEU 119 OK 64 92 - 70 - 3.5/10291=20, ~10294=15...(12) H LEU 103 - HB3 LEU 119 OK 37 92 - 40 - 7657/3.9=7, 3761/2.9=6...(12) H ALA 108 - HB3 LEU 119 OK 28 96 - 29 - 3761/2.9=5, 3804/3.0=5...(9) H ALA 109 - HB3 LEU 119 poor 10 87 - 11 - 3804/3.0=2, 3796/3.1=2...(6) Peak 3781 from cnoeabs.peaks (7.54, 1.62, 27.00 ppm; 3.98 A): 1 out of 8 assignments used, quality = 0.94: * H LEU 119 + HG LEU 119 OK 94 100 - 94 - 4.6=65, 7656/2.1=24...(15) H THR 54 - HG LEU 119 OK 26 81 - 32 - ~11774=8, 3797/2.1=7...(7) H VAL 77 - HG LEU 119 OK 24 100 - 24 - 3797/2.1=5, 3789/2.1=5...(6) H LEU 119 - HG3 ARG 23 OK 17 72 - 24 - 7654=5, 3.9/3784=4...(8) HE22 GLN 27 - HG LEU 119 lone 6 73 - 8 - 3797/2.1=1, 3754/3.7=1...(5) H VAL 77 - HG3 ARG 23 lone 2 72 - 2 - H THR 54 - HG3 ARG 23 lone 1 51 - 3 - HE22 GLN 27 - HG3 ARG 23 lone 1 45 - 1 - Peak 3782 from cnoeabs.peaks (4.03, 1.62, 27.00 ppm; 4.11 A): 1 out of 12 assignments used, quality = 1.00: * HA LEU 119 + HG LEU 119 OK 100 100 - 100 - 3.7=100 HA ILE 37 - HG LEU 119 OK 42 92 - 46 - 3798/2.1=10, 3790/2.1=8...(11) HB3 SER 124 - HG LEU 119 OK 31 96 - 32 - 4.5/10363=11, 3790/2.1=6...(7) HA LEU 119 - HG3 ARG 23 OK 19 72 - 27 - 2.9/3784=5, 3758=5...(7) HA LEU 103 - HG LEU 119 OK 17 65 - 26 - 3790/2.1=3, 3798/2.1=3...(11) HA LEU 103 - HG3 ARG 23 poor 7 40 - 17 - 3364/1.8=3, ~7473=3...(6) HA LYS 95 - HG LEU 119 lone 5 87 - 5 - 3790/2.1=1 HA ARG 135 - HG LEU 119 lone 2 73 - 3 - HB3 SER 124 - HG3 ARG 23 lone 2 64 - 3 - HA ILE 37 - HG3 ARG 23 lone 2 60 - 3 - HA ARG 135 - HG3 ARG 23 lone 1 45 - 3 - HA LYS 95 - HG3 ARG 23 lone 1 56 - 1 - Peak 3783 from cnoeabs.peaks (1.54, 1.62, 27.00 ppm; 2.50 A): 5 out of 6 assignments used, quality = 0.89: * HB2 LEU 119 + HG LEU 119 OK 71 100 - 71 - 2.9=63, 3.9/3781=5...(7) HB2 LEU 22 + HG LEU 119 OK 43 100 - 44 - 379=8, 3799/2.1=7...(19) HB2 LEU 119 + HG3 ARG 23 OK 13 72 - 18 - 1.8/3784=2, 3769=2...(6) HB3 LEU 42 + HG LEU 119 OK 12 100 - 12 - 3799/2.1=2, 3791/2.1=2...(5) HB2 LEU 22 + HG3 ARG 23 OK 11 71 - 16 - 6197/5.0=4, 377/3.8=2...(6) HB3 LEU 42 - HG3 ARG 23 lone 1 71 - 1 - Peak 3784 from cnoeabs.peaks (1.87, 1.62, 27.00 ppm; 3.35 A): 2 out of 4 assignments used, quality = 1.00: * HB3 LEU 119 + HG LEU 119 OK 100 100 - 100 - 2.9=100 HB3 LEU 123 + HG LEU 119 OK 47 99 - 47 - 3800/2.1=10, 3792/2.1=10...(12) HB3 LEU 119 - HG3 ARG 23 OK 22 72 - 31 - 3777=5, 1.8/3769=4...(14) HB3 LEU 123 - HG3 ARG 23 lone 5 69 - 7 - Peak 3785 from cnoeabs.peaks (1.62, 1.62, 27.00 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG LEU 119 + HG LEU 119 OK 100 100 - 100 HG3 ARG 23 + HG3 ARG 23 OK 64 64 - 100 Peak 3786 from cnoeabs.peaks (0.80, 1.62, 27.00 ppm; 2.97 A): 1 out of 8 assignments used, quality = 1.00: * QD2 LEU 119 + HG LEU 119 OK 100 100 - 100 - 2.1=100 QD2 LEU 119 - HG3 ARG 23 OK 21 72 - 29 - 3793=5, 2.1/3787=4...(13) QD1 LEU 122 - HG LEU 119 OK 20 87 - 23 - 3759/3.7=4, 3778/2.9=4...(9) QD2 LEU 49 - HG3 ARG 23 OK 20 64 - 31 - 1576/1.8=6, 2.1/448=5...(14) QD2 LEU 49 - HG LEU 119 OK 18 96 - 18 - 3802/2.1=3, 3778/2.9=3...(10) QD1 LEU 53 - HG LEU 119 OK 11 81 - 14 - 3802/2.1=2, 3778/2.9=2...(7) QD1 LEU 122 - HG3 ARG 23 lone 1 56 - 2 - QD1 LEU 53 - HG3 ARG 23 lone 1 51 - 1 - Peak 3787 from cnoeabs.peaks (0.94, 1.62, 27.00 ppm; 3.21 A): 1 out of 6 assignments used, quality = 1.00: * QD1 LEU 119 + HG LEU 119 OK 100 100 - 100 - 2.1=100 QG2 ILE 37 - HG LEU 119 OK 33 87 - 38 - 3795/2.1=7, 3771/2.9=6...(15) QD1 LEU 119 - HG3 ARG 23 OK 25 72 - 35 - 3801=7, 2.1/3793=4...(16) QG1 VAL 57 - HG LEU 119 OK 17 81 - 21 - 3779/2.9=4, 3795/2.1=4...(9) QG2 ILE 37 - HG3 ARG 23 lone 1 56 - 2 - QG1 VAL 57 - HG3 ARG 23 lone 1 51 - 1 - Peak 3788 from cnoeabs.peaks (8.08, 1.62, 27.00 ppm; 5.02 A): 2 out of 10 assignments used, quality = 0.95: * H ASN 120 + HG LEU 119 OK 86 100 - 86 - 7668/2.1=29, 7664/2.9=26...(10) HD22 ASN 85 + HG LEU 119 OK 67 92 - 73 - ~10294=20, ~10291=14...(12) H LEU 103 - HG LEU 119 OK 37 92 - 41 - 3804/2.1=6, 7657/4.6=6...(12) H ALA 108 - HG LEU 119 OK 27 96 - 29 - 3804/2.1=6, 3761/3.7=5...(8) H ASN 120 - HG3 ARG 23 OK 17 72 - 24 - 7666=5, 4.6/3784=5...(7) H LEU 103 - HG3 ARG 23 OK 11 60 - 19 - 7473/1.8=6, ~3364=5...(5) H ALA 109 - HG LEU 119 poor 10 87 - 11 - 3804/2.1=2, 3796/2.1=2...(5) HD22 ASN 85 - HG3 ARG 23 lone 5 60 - 8 - ~9799=2, 3.5/10290=1 H ALA 108 - HG3 ARG 23 lone 2 64 - 3 - H ALA 109 - HG3 ARG 23 lone 1 56 - 2 - Peak 3789 from cnoeabs.peaks (7.54, 0.80, 23.00 ppm; 4.45 A): 1 out of 4 assignments used, quality = 0.99: * H LEU 119 + QD2 LEU 119 OK 99 100 - 99 - 4.6=90, 7656/2.1=28...(16) H THR 54 - QD2 LEU 119 OK 37 81 - 46 - ~11774=10, 3797/2.1=8...(15) H VAL 77 - QD2 LEU 119 OK 30 100 - 30 - 3797/2.1=6, 3781/2.1=6...(7) HE22 GLN 27 - QD2 LEU 119 lone 7 73 - 9 - 3797/2.1=2, 3754/3.9=2...(5) Peak 3790 from cnoeabs.peaks (4.03, 0.80, 23.00 ppm; 3.61 A): 2 out of 6 assignments used, quality = 0.96: * HA LEU 119 + QD2 LEU 119 OK 94 100 - 94 - 3.9=80, 3760/2.1=21...(15) HA ILE 37 + QD2 LEU 119 OK 34 92 - 37 - 3798/2.1=8, 3.2/3795=6...(11) HB3 SER 124 - QD2 LEU 119 OK 26 96 - 27 - 4.0/11585=7, 3774/3.1=4...(8) HA LEU 103 - QD2 LEU 119 OK 14 65 - 22 - 3798/2.1=3, 3.0/3796=2...(11) HA LYS 95 - QD2 LEU 119 lone 4 87 - 5 - HA ARG 135 - QD2 LEU 119 lone 2 73 - 3 - Peak 3791 from cnoeabs.peaks (1.54, 0.80, 23.00 ppm; 3.68 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LEU 119 + QD2 LEU 119 OK 100 100 - 100 - 3.1=100 HB2 LEU 22 + QD2 LEU 119 OK 73 100 - 73 - 3799/2.1=14, 3783/2.1=13...(24) HB3 LEU 42 - QD2 LEU 119 OK 26 100 - 26 - 3799/2.1=4, 3775/3.1=4...(10) Peak 3792 from cnoeabs.peaks (1.87, 0.80, 23.00 ppm; 3.96 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LEU 119 + QD2 LEU 119 OK 100 100 - 100 - 3.1=100 HB3 LEU 123 + QD2 LEU 119 OK 64 99 - 65 - 3800/2.1=13...(14) Peak 3793 from cnoeabs.peaks (1.62, 0.80, 23.00 ppm; 3.38 A): 3 out of 4 assignments used, quality = 1.00: * HG LEU 119 + QD2 LEU 119 OK 100 100 - 100 - 2.1=100 HB3 LEU 22 + QD2 LEU 119 OK 62 92 - 67 - 1.8/3791=11, 3801/2.1=9...(25) HG LEU 22 + QD2 LEU 119 OK 56 92 - 61 - 394/3.1=9, 3.0/3791=9...(21) HG3 ARG 23 - QD2 LEU 119 OK 35 96 - 36 - 3786=5, 3787/2.1=5...(17) Peak 3794 from cnoeabs.peaks (0.80, 0.80, 23.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 119 + QD2 LEU 119 OK 100 100 - 100 Peak 3795 from cnoeabs.peaks (0.94, 0.80, 23.00 ppm; 2.76 A): 1 out of 3 assignments used, quality = 1.00: * QD1 LEU 119 + QD2 LEU 119 OK 100 100 - 100 - 2.1=100 QG2 ILE 37 - QD2 LEU 119 OK 24 87 - 28 - 3787/2.1=4, 3771/3.1=4...(12) QG1 VAL 57 - QD2 LEU 119 OK 13 81 - 16 - 3779/3.1=2, 3787/2.1=2...(9) Peak 3796 from cnoeabs.peaks (8.08, 0.80, 23.00 ppm; 5.39 A): 2 out of 5 assignments used, quality = 0.98: * H ASN 120 + QD2 LEU 119 OK 92 100 - 92 - 7668/2.1=31, 7662/4.6=27...(16) HD22 ASN 85 + QD2 LEU 119 OK 70 92 - 76 - ~10294=23, 3.5/10293=21...(11) H LEU 103 - QD2 LEU 119 OK 44 92 - 48 - 7657/4.6=7, 3804/2.1=7...(15) H ALA 108 - QD2 LEU 119 OK 36 96 - 38 - 4.3/10103=9, 3804/2.1=6...(9) H ALA 109 - QD2 LEU 119 OK 14 87 - 16 - 3.7/11488=3, 3804/2.1=2...(8) Peak 3797 from cnoeabs.peaks (7.54, 0.94, 25.07 ppm; 4.00 A): 1 out of 4 assignments used, quality = 0.95: * H LEU 119 + QD1 LEU 119 OK 95 100 - 95 - 4.6=66, 7655/2.1=22...(15) H THR 54 - QD1 LEU 119 OK 30 81 - 38 - 3.0/11774=11, 3789/2.1=6...(10) H VAL 77 - QD1 LEU 119 OK 23 100 - 23 - 3789/2.1=5, 3781/2.1=5...(6) HE22 GLN 27 - QD1 LEU 119 lone 6 73 - 9 - 3754/4.1=1, 3781/2.1=1...(6) Peak 3798 from cnoeabs.peaks (4.03, 0.94, 25.07 ppm; 3.77 A): 2 out of 6 assignments used, quality = 0.97: * HA LEU 119 + QD1 LEU 119 OK 94 100 - 94 - 4.1=77, 3759/2.1=23...(13) HA ILE 37 + QD1 LEU 119 OK 45 92 - 49 - 1075=7, 3790/2.1=7...(16) HB3 SER 124 - QD1 LEU 119 OK 20 96 - 21 - 3790/2.1=5, 3774/3.0=4...(6) HA LEU 103 - QD1 LEU 119 OK 15 65 - 23 - 3.0/3804=3, 3790/2.1=3...(10) HA LYS 95 - QD1 LEU 119 lone 4 87 - 4 - HA ARG 135 - QD1 LEU 119 lone 2 73 - 3 - Peak 3799 from cnoeabs.peaks (1.54, 0.94, 25.07 ppm; 3.20 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LEU 119 + QD1 LEU 119 OK 100 100 - 100 - 3.0=100 HB2 LEU 22 + QD1 LEU 119 OK 63 100 - 63 - 3783/2.1=12, 3791/2.1=10...(23) HB3 LEU 42 - QD1 LEU 119 OK 20 100 - 20 - 3791/2.1=3, 3783/2.1=3...(10) Peak 3800 from cnoeabs.peaks (1.87, 0.94, 25.07 ppm; 3.25 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 119 + QD1 LEU 119 OK 100 100 - 100 - 3.0=100 HB3 LEU 123 - QD1 LEU 119 OK 44 99 - 45 - 3792/2.1=9, 3784/2.1=8...(12) Peak 3801 from cnoeabs.peaks (1.62, 0.94, 25.07 ppm; 3.03 A): 3 out of 4 assignments used, quality = 1.00: * HG LEU 119 + QD1 LEU 119 OK 100 100 - 100 - 2.1=100 HB3 LEU 22 + QD1 LEU 119 OK 54 92 - 59 - 1.8/3799=11, 386/3.0=7...(25) HG LEU 22 + QD1 LEU 119 OK 49 92 - 53 - 394/3.0=8, 3.0/3799=8...(22) HG3 ARG 23 - QD1 LEU 119 OK 31 96 - 32 - 3787=6, 3793/2.1=4...(14) Peak 3802 from cnoeabs.peaks (0.80, 0.94, 25.07 ppm; 2.70 A): 1 out of 4 assignments used, quality = 1.00: * QD2 LEU 119 + QD1 LEU 119 OK 100 100 - 100 - 2.1=100 QD1 LEU 122 - QD1 LEU 119 OK 16 87 - 18 - 3759/4.1=3, 3778/3.0=3...(8) QD2 LEU 49 - QD1 LEU 119 OK 14 96 - 15 - 3786/2.1=2, 3778/3.0=2...(7) QD1 LEU 53 - QD1 LEU 119 poor 9 81 - 11 - 4.6/3797=2, 3786/2.1=1...(4) Peak 3803 from cnoeabs.peaks (0.94, 0.94, 25.07 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 119 + QD1 LEU 119 OK 100 100 - 100 Peak 3804 from cnoeabs.peaks (8.08, 0.94, 25.07 ppm; 4.67 A): 2 out of 5 assignments used, quality = 0.96: * H ASN 120 + QD1 LEU 119 OK 88 100 - 88 - 7668=32, 3.6/3760=23...(13) HD22 ASN 85 + QD1 LEU 119 OK 65 92 - 70 - 3.5/10294=28, ~10291=11...(13) H LEU 103 - QD1 LEU 119 OK 34 92 - 37 - 7657/4.6=5, 3796/2.1=5...(13) H ALA 108 - QD1 LEU 119 OK 32 96 - 34 - 4.3/10102=11, 3796/2.1=4...(9) H ALA 109 - QD1 LEU 119 OK 12 87 - 14 - 3.6/10296=2...(9) Peak 3805 from cnoeabs.peaks (8.08, 4.42, 56.05 ppm; 3.68 A): 1 out of 5 assignments used, quality = 1.00: * H ASN 120 + HA ASN 120 OK 100 100 - 100 - 2.9=100 H ALA 108 - HA ASN 120 OK 31 96 - 33 - 11474=16, 7692/3.6=5...(7) H LEU 103 - HA ASN 120 OK 16 92 - 17 - 11705/11565=4...(5) H ALA 109 - HA ASN 120 OK 10 87 - 12 - 4.6/11474=8 HD22 ASN 85 - HA ASN 120 poor 9 92 - 10 - 3761/4.9=3, ~2608=2...(4) Peak 3806 from cnoeabs.peaks (4.42, 4.42, 56.05 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASN 120 + HA ASN 120 OK 100 100 - 100 Peak 3807 from cnoeabs.peaks (2.80, 4.42, 56.05 ppm; 3.20 A): 2 out of 4 assignments used, quality = 1.00: HB3 ASN 120 + HA ASN 120 OK 100 100 - 100 - 3.0=100 * HB2 ASN 120 + HA ASN 120 OK 100 100 - 100 - 3.0=100 HB2 ASN 121 - HA ASN 120 OK 38 99 - 39 - 7699/3.6=8, 3823=6...(16) HB3 ASP 64 - HA ASN 120 lone 2 100 - 2 - Peak 3808 from cnoeabs.peaks (2.80, 4.42, 56.05 ppm; 3.20 A): 2 out of 4 assignments used, quality = 1.00: * HB3 ASN 120 + HA ASN 120 OK 100 100 - 100 - 3.0=100 HB2 ASN 120 + HA ASN 120 OK 100 100 - 100 - 3.0=100 HB2 ASN 121 - HA ASN 120 OK 38 99 - 39 - 7699/3.6=8, 3823=6...(16) HB3 ASP 64 - HA ASN 120 lone 2 100 - 2 - Peak 3809 from cnoeabs.peaks (7.60, 4.42, 56.05 ppm; 4.19 A): 1 out of 2 assignments used, quality = 0.97: * HD21 ASN 120 + HA ASN 120 OK 97 100 - 97 - 4.4=85, 1.7/7684=27...(14) HD21 ASN 13 - HA ASN 120 lone 5 87 - 5 - 7672/2.9=2, 7696/3.6=1 Peak 3811 from cnoeabs.peaks (8.12, 4.42, 56.05 ppm; 4.14 A): 1 out of 3 assignments used, quality = 1.00: * H ASN 121 + HA ASN 120 OK 100 100 - 100 - 3.6=100 H PHE 87 - HA ASN 120 lone 8 92 - 8 - 7674/2.9=3, 3829/4.9=2 H GLU 91 - HA ASN 120 lone 7 96 - 7 - 3829/4.9=2, 7674/2.9=2 Peak 3813 from cnoeabs.peaks (1.65, 4.42, 56.05 ppm; 3.97 A): 1 out of 11 assignments used, quality = 0.74: * HB2 LEU 123 + HA ASN 120 OK 74 100 - 74 - 1.8/11564=38...(14) HD2 LYS 19 - HA ASN 120 lone 7 100 - 7 - ~10299=3 HD3 LYS 19 - HA ASN 120 lone 7 100 - 7 - ~10299=3 HG LEU 62 - HA ASN 120 lone 5 99 - 5 - 3930/3814=1, 7749/11560=1 HB2 LEU 98 - HA ASN 120 lone 5 99 - 5 - 3930/3814=1 HD3 LYS 86 - HA ASN 120 lone 3 65 - 5 - ~10299=4 HD2 LYS 86 - HA ASN 120 lone 3 65 - 5 - ~10299=4 HG LEU 43 - HA ASN 120 lone 2 81 - 2 - HD2 LYS 95 - HA ASN 120 lone 1 96 - 1 - HD3 LYS 26 - HA ASN 120 lone 1 73 - 2 - HD3 LYS 95 - HA ASN 120 lone 1 65 - 1 - Peak 3814 from cnoeabs.peaks (1.88, 4.42, 56.05 ppm; 3.95 A): 2 out of 3 assignments used, quality = 0.86: * HB3 LEU 123 + HA ASN 120 OK 70 98 - 72 - 1.8/11566=28...(15) HB3 LEU 119 + HA ASN 120 OK 53 96 - 55 - 7665/2.9=17, ~7664=12...(12) HB3 LYS 36 - HA ASN 120 lone 3 73 - 4 - 3922/11566=2 Peak 3815 from cnoeabs.peaks (8.08, 2.80, 37.77 ppm; 3.18 A): 2 out of 15 assignments used, quality = 0.96: * H ASN 120 + HB2 ASN 120 OK 80 100 - 81 - 3.8=58, 7670/1.8=15...(11) H ASN 120 + HB3 ASN 120 OK 80 100 - 81 - 3.8=58, 7670/1.8=15...(11) H ASN 120 - HB2 ASN 121 OK 35 85 - 42 - 7674/3.8=17, 7675/4.3=12...(8) H ALA 108 - HB2 ASN 120 OK 21 96 - 22 - 11474/3.0=15, 7677/3.5=3...(4) H ALA 108 - HB3 ASN 120 OK 21 96 - 22 - 11474/3.0=15, 7677/3.5=3...(4) H LEU 103 - HB2 ASN 120 lone 8 92 - 9 - 3805/3.0=2, 7692/4.4=1 H LEU 103 - HB3 ASN 120 lone 8 92 - 9 - 3805/3.0=2, 7692/4.4=1 H LEU 103 - HB2 ASN 121 lone 7 73 - 10 - 7720/4.3=4, 7692/3.8=2...(4) H ALA 108 - HB2 ASN 121 lone 5 77 - 6 - 7692/3.8=3, 7720/4.3=1 HD22 ASN 85 - HB3 ASN 120 lone 3 92 - 3 - 3805/3.0=1 HD22 ASN 85 - HB2 ASN 120 lone 3 92 - 3 - 3805/3.0=1 H ALA 109 - HB3 ASN 120 lone 2 87 - 3 - 3805/3.0=1 H ALA 109 - HB2 ASN 120 lone 2 87 - 3 - 3805/3.0=1 HD22 ASN 85 - HB2 ASN 121 lone 2 73 - 2 - H ALA 109 - HB2 ASN 121 lone 1 68 - 1 - Peak 3816 from cnoeabs.peaks (4.42, 2.80, 37.77 ppm; 3.21 A): 2 out of 15 assignments used, quality = 1.00: HA ASN 120 + HB3 ASN 120 OK 100 100 - 100 - 3.0=100 * HA ASN 120 + HB2 ASN 120 OK 100 100 - 100 - 3.0=100 HA ASN 120 - HB2 ASN 121 OK 34 85 - 40 - 3.6/7695=8, 3807=8...(16) HA VAL 112 - HB3 ASN 120 OK 11 98 - 11 - 7678/3.5=2, 7684/3.5=2...(4) HA VAL 112 - HB2 ASN 120 OK 11 98 - 11 - 7678/3.5=2, 7684/3.5=2...(4) HA THR 54 - HB2 ASN 120 lone 10 100 - 10 - 7669/3.8=3, 7693/4.4=1...(4) HA THR 54 - HB3 ASN 120 lone 10 100 - 10 - 7669/3.8=3, 7693/4.4=1...(4) HA MET 11 - HB3 ASN 120 lone 6 99 - 6 - HA MET 11 - HB2 ASN 120 lone 6 99 - 6 - HA VAL 112 - HB2 ASN 121 lone 4 81 - 5 - ~10328=2, 7693/3.8=1 HA THR 54 - HB2 ASN 121 lone 3 84 - 4 - 7693/3.8=2 HA MET 11 - HB2 ASN 121 lone 2 83 - 2 - HA ASP 71 - HB2 ASN 120 lone 1 65 - 1 - HA ASP 71 - HB3 ASN 120 lone 1 65 - 1 - HA ASP 71 - HB2 ASN 121 lone 0 49 - 1 - Peak 3817 from cnoeabs.peaks (2.80, 2.80, 37.77 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB3 ASN 120 + HB3 ASN 120 OK 100 100 - 100 * HB2 ASN 120 + HB2 ASN 120 OK 100 100 - 100 HB2 ASN 121 + HB2 ASN 121 OK 83 83 - 100 Peak 3818 from cnoeabs.peaks (2.80, 2.80, 37.77 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB3 ASN 120 + HB3 ASN 120 OK 100 100 - 100 HB2 ASN 120 + HB2 ASN 120 OK 100 100 - 100 HB2 ASN 121 + HB2 ASN 121 OK 83 83 - 100 Reference assignment not found: HB3 ASN 120 - HB2 ASN 120 Peak 3819 from cnoeabs.peaks (7.60, 2.80, 37.77 ppm; 3.62 A): 2 out of 6 assignments used, quality = 1.00: * HD21 ASN 120 + HB2 ASN 120 OK 100 100 - 100 - 3.5=100 HD21 ASN 120 + HB3 ASN 120 OK 100 100 - 100 - 3.5=100 HD21 ASN 120 - HB2 ASN 121 OK 34 85 - 41 - 7696/3.8=11, 7679=7...(13) HD21 ASN 13 - HB2 ASN 120 lone 4 87 - 4 - 3809/3.0=1 HD21 ASN 13 - HB3 ASN 120 lone 4 87 - 4 - 3809/3.0=1 HD21 ASN 13 - HB2 ASN 121 lone 1 68 - 2 - Peak 3820 from cnoeabs.peaks (6.77, 2.80, 37.77 ppm; 4.10 A): 2 out of 3 assignments used, quality = 1.00: HD22 ASN 120 + HB3 ASN 120 OK 100 100 - 100 - 3.5=100 * HD22 ASN 120 + HB2 ASN 120 OK 100 100 - 100 - 3.5=100 HD22 ASN 120 - HB2 ASN 121 OK 40 85 - 47 - 7697/3.8=11, 7685=7...(13) Peak 3821 from cnoeabs.peaks (8.12, 2.80, 37.77 ppm; 3.20 A): 3 out of 9 assignments used, quality = 0.97: H ASN 121 + HB2 ASN 121 OK 71 85 - 83 - 3.8=59, 7700/1.8=30...(8) * H ASN 121 + HB2 ASN 120 OK 71 100 - 71 - 4.4=37, 7674/3.8=17...(13) H ASN 121 + HB3 ASN 120 OK 71 100 - 71 - 4.4=37, 7674/3.8=17...(13) H GLU 91 - HB2 ASN 121 lone 8 77 - 10 - 3848/1.8=2, 3829/3.0=2...(5) H PHE 87 - HB2 ASN 121 lone 7 73 - 9 - 3848/1.8=2, 3829/3.0=2...(5) H GLU 91 - HB2 ASN 120 lone 4 96 - 4 - 4.0/10302=1, 3811/3.0=1 H GLU 91 - HB3 ASN 120 lone 4 96 - 4 - 4.0/10302=1, 3811/3.0=1 H PHE 87 - HB2 ASN 120 lone 4 92 - 4 - 7674/3.8=2, 3811/3.0=1 H PHE 87 - HB3 ASN 120 lone 4 92 - 4 - 7674/3.8=2, 3811/3.0=1 Peak 3822 from cnoeabs.peaks (8.08, 2.80, 37.77 ppm; 3.18 A): 2 out of 15 assignments used, quality = 0.96: H ASN 120 + HB2 ASN 120 OK 80 100 - 81 - 3.8=58, 7670/1.8=15...(11) * H ASN 120 + HB3 ASN 120 OK 80 100 - 81 - 3.8=58, 7670/1.8=15...(11) H ASN 120 - HB2 ASN 121 OK 35 85 - 42 - 7674/3.8=17, 7675/4.3=12...(8) H ALA 108 - HB2 ASN 120 OK 21 96 - 22 - 11474/3.0=15, 7677/3.5=3...(4) H ALA 108 - HB3 ASN 120 OK 21 96 - 22 - 11474/3.0=15, 7677/3.5=3...(4) H LEU 103 - HB2 ASN 120 lone 8 92 - 9 - 3805/3.0=2, 7692/4.4=1 H LEU 103 - HB3 ASN 120 lone 8 92 - 9 - 3805/3.0=2, 7692/4.4=1 H LEU 103 - HB2 ASN 121 lone 7 73 - 10 - 7720/4.3=4, 7692/3.8=2...(4) H ALA 108 - HB2 ASN 121 lone 5 77 - 6 - 7692/3.8=3, 7720/4.3=1 HD22 ASN 85 - HB3 ASN 120 lone 3 92 - 3 - 3805/3.0=1 HD22 ASN 85 - HB2 ASN 120 lone 3 92 - 3 - 3805/3.0=1 H ALA 109 - HB3 ASN 120 lone 2 87 - 3 - 3805/3.0=1 H ALA 109 - HB2 ASN 120 lone 2 87 - 3 - 3805/3.0=1 HD22 ASN 85 - HB2 ASN 121 lone 2 73 - 2 - H ALA 109 - HB2 ASN 121 lone 1 68 - 1 - Peak 3823 from cnoeabs.peaks (4.42, 2.80, 37.77 ppm; 3.21 A): 2 out of 15 assignments used, quality = 1.00: * HA ASN 120 + HB3 ASN 120 OK 100 100 - 100 - 3.0=100 HA ASN 120 + HB2 ASN 120 OK 100 100 - 100 - 3.0=100 HA ASN 120 - HB2 ASN 121 OK 34 85 - 40 - 3.6/7695=8, 3807=8...(16) HA VAL 112 - HB3 ASN 120 OK 11 98 - 11 - 7678/3.5=2, 7684/3.5=2...(4) HA VAL 112 - HB2 ASN 120 OK 11 98 - 11 - 7678/3.5=2, 7684/3.5=2...(4) HA THR 54 - HB2 ASN 120 lone 10 100 - 10 - 7669/3.8=3, 7693/4.4=1...(4) HA THR 54 - HB3 ASN 120 lone 10 100 - 10 - 7669/3.8=3, 7693/4.4=1...(4) HA MET 11 - HB3 ASN 120 lone 6 99 - 6 - HA MET 11 - HB2 ASN 120 lone 6 99 - 6 - HA VAL 112 - HB2 ASN 121 lone 4 81 - 5 - ~10328=2, 7693/3.8=1 HA THR 54 - HB2 ASN 121 lone 3 84 - 4 - 7693/3.8=2 HA MET 11 - HB2 ASN 121 lone 2 83 - 2 - HA ASP 71 - HB2 ASN 120 lone 1 65 - 1 - HA ASP 71 - HB3 ASN 120 lone 1 65 - 1 - HA ASP 71 - HB2 ASN 121 lone 0 49 - 1 - Peak 3824 from cnoeabs.peaks (2.80, 2.80, 37.77 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB3 ASN 120 + HB3 ASN 120 OK 100 100 - 100 HB2 ASN 120 + HB2 ASN 120 OK 100 100 - 100 HB2 ASN 121 + HB2 ASN 121 OK 83 83 - 100 Reference assignment not found: HB2 ASN 120 - HB3 ASN 120 Peak 3825 from cnoeabs.peaks (2.80, 2.80, 37.77 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 ASN 120 + HB3 ASN 120 OK 100 100 - 100 HB2 ASN 120 + HB2 ASN 120 OK 100 100 - 100 HB2 ASN 121 + HB2 ASN 121 OK 83 83 - 100 Peak 3826 from cnoeabs.peaks (7.60, 2.80, 37.77 ppm; 3.62 A): 2 out of 6 assignments used, quality = 1.00: HD21 ASN 120 + HB2 ASN 120 OK 100 100 - 100 - 3.5=100 * HD21 ASN 120 + HB3 ASN 120 OK 100 100 - 100 - 3.5=100 HD21 ASN 120 - HB2 ASN 121 OK 34 85 - 41 - 7696/3.8=11, 7679=7...(13) HD21 ASN 13 - HB2 ASN 120 lone 4 87 - 4 - 3809/3.0=1 HD21 ASN 13 - HB3 ASN 120 lone 4 87 - 4 - 3809/3.0=1 HD21 ASN 13 - HB2 ASN 121 lone 1 68 - 2 - Peak 3827 from cnoeabs.peaks (6.77, 2.80, 37.77 ppm; 4.10 A): 2 out of 3 assignments used, quality = 1.00: * HD22 ASN 120 + HB3 ASN 120 OK 100 100 - 100 - 3.5=100 HD22 ASN 120 + HB2 ASN 120 OK 100 100 - 100 - 3.5=100 HD22 ASN 120 - HB2 ASN 121 OK 40 85 - 47 - 7697/3.8=11, 7685=7...(13) Peak 3828 from cnoeabs.peaks (8.12, 2.80, 37.77 ppm; 3.20 A): 3 out of 9 assignments used, quality = 0.97: H ASN 121 + HB2 ASN 121 OK 71 85 - 83 - 3.8=59, 7700/1.8=30...(8) H ASN 121 + HB2 ASN 120 OK 71 100 - 71 - 4.4=37, 7674/3.8=17...(13) * H ASN 121 + HB3 ASN 120 OK 71 100 - 71 - 4.4=37, 7674/3.8=17...(13) H GLU 91 - HB2 ASN 121 lone 8 77 - 10 - 3848/1.8=2, 3829/3.0=2...(5) H PHE 87 - HB2 ASN 121 lone 7 73 - 9 - 3848/1.8=2, 3829/3.0=2...(5) H GLU 91 - HB2 ASN 120 lone 4 96 - 4 - 4.0/10302=1, 3811/3.0=1 H GLU 91 - HB3 ASN 120 lone 4 96 - 4 - 4.0/10302=1, 3811/3.0=1 H PHE 87 - HB2 ASN 120 lone 4 92 - 4 - 7674/3.8=2, 3811/3.0=1 H PHE 87 - HB3 ASN 120 lone 4 92 - 4 - 7674/3.8=2, 3811/3.0=1 Peak 3829 from cnoeabs.peaks (8.12, 4.49, 56.15 ppm; 4.01 A): 1 out of 3 assignments used, quality = 1.00: * H ASN 121 + HA ASN 121 OK 100 100 - 100 - 2.9=100 H GLU 91 - HA ASN 121 OK 14 96 - 14 - 3848/3.0=3, ~2850=2...(7) H PHE 87 - HA ASN 121 OK 13 92 - 14 - 7722/3.6=4, 3848/3.0=3...(7) Peak 3830 from cnoeabs.peaks (4.49, 4.49, 56.15 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASN 121 + HA ASN 121 OK 100 100 - 100 Peak 3831 from cnoeabs.peaks (2.80, 4.49, 56.15 ppm; 3.54 A): 3 out of 4 assignments used, quality = 1.00: * HB2 ASN 121 + HA ASN 121 OK 100 100 - 100 - 3.0=100 HB3 ASN 120 + HA ASN 121 OK 71 99 - 71 - 7699/2.9=10, 3841=9...(30) HB2 ASN 120 + HA ASN 121 OK 71 99 - 71 - 7699/2.9=10, 3841=9...(30) HB3 ASP 64 - HA ASN 121 lone 3 98 - 3 - Peak 3832 from cnoeabs.peaks (2.98, 4.49, 56.15 ppm; 4.01 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ASN 121 + HA ASN 121 OK 100 100 - 100 - 3.0=100 HE3 LYS 26 - HA ASN 121 lone 6 81 - 8 - 7700/2.9=2, 7709/4.5=1...(4) HE2 LYS 26 - HA ASN 121 lone 6 81 - 8 - 7700/2.9=2, 7709/4.5=1...(4) HE3 LYS 31 - HA ASN 121 lone 4 81 - 5 - 4.8/10323=1 Peak 3833 from cnoeabs.peaks (6.88, 4.49, 56.15 ppm; 5.91 A): 1 out of 2 assignments used, quality = 1.00: * HD21 ASN 121 + HA ASN 121 OK 100 100 - 100 - 4.5=100 HE21 GLN 61 - HA ASN 121 OK 26 98 - 26 - 7701/2.9=8, 3852/3.0=8...(5) Peak 3834 from cnoeabs.peaks (7.78, 4.49, 56.15 ppm; 5.59 A): 1 out of 2 assignments used, quality = 1.00: * HD22 ASN 121 + HA ASN 121 OK 100 100 - 100 - 4.5=100 H GLY 75 - HA ASN 121 lone 4 57 - 7 - 7727/3.6=2, 7702/2.9=1 Peak 3835 from cnoeabs.peaks (8.18, 4.49, 56.15 ppm; 4.56 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 122 + HA ASN 121 OK 100 100 - 100 - 3.6=100 Peak 3836 from cnoeabs.peaks (7.95, 4.49, 56.15 ppm; 4.47 A): 1 out of 1 assignment used, quality = 0.92: * H SER 124 + HA ASN 121 OK 92 100 - 92 - 7758=50, 7759/3.6=28...(13) Peak 3837 from cnoeabs.peaks (4.00, 4.49, 56.15 ppm; 4.06 A): 3 out of 5 assignments used, quality = 0.81: * HB2 SER 124 + HA ASN 121 OK 76 100 - 76 - 3968=38, 1.8/3974=37...(6) HA SER 50 + HA ASN 121 OK 13 100 - 13 - 3968=6, 3969/7758=3...(4) HA VAL 20 + HA ASN 121 OK 11 92 - 12 - 3.2/10324=4, ~10322=4 HA GLN 68 - HA ASN 121 lone 3 99 - 3 - HB3 SER 99 - HA ASN 121 lone 2 57 - 3 - 3214/4.9=1 Peak 3838 from cnoeabs.peaks (4.03, 4.49, 56.15 ppm; 3.94 A): 2 out of 5 assignments used, quality = 0.87: * HB3 SER 124 + HA ASN 121 OK 77 100 - 77 - 3974=43, 1.8/3968=29...(7) HA LEU 119 + HA ASN 121 OK 45 96 - 48 - 3762/3.6=17, 7691/2.9=12...(7) HA ILE 37 - HA ASN 121 lone 4 65 - 6 - 7719/3.6=2, 7691/2.9=2 HD3 PRO 81 - HA ASN 121 lone 2 73 - 3 - HA LYS 95 - HA ASN 121 lone 2 57 - 3 - Peak 3839 from cnoeabs.peaks (3.81, 2.80, 37.82 ppm; 5.56 A): 3 out of 9 assignments used, quality = 0.99: * HA VAL 118 + HB2 ASN 121 OK 95 100 - 95 - 3735/1.8=40, 3733/3.8=33...(15) HA VAL 118 + HB2 ASN 120 OK 65 85 - 76 - 3733/4.4=30, 7661/3.8=21...(12) HA VAL 118 + HB3 ASN 120 OK 65 85 - 76 - 3733/4.4=30, 7661/3.8=21...(12) HD3 PRO 58 - HB2 ASN 121 OK 45 96 - 47 - 10336/3.5=15, ~10325=11...(7) HD3 PRO 58 - HB2 ASN 120 OK 18 77 - 23 - 7661/3.8=8, 7689/4.4=8...(6) HD3 PRO 58 - HB3 ASN 120 OK 18 77 - 23 - 7661/3.8=8, 7689/4.4=8...(6) HB2 SER 130 - HB2 ASN 121 OK 17 87 - 19 - 10336/3.5=6, ~10495=4...(5) HB2 SER 130 - HB3 ASN 120 lone 6 68 - 8 - 7689/4.4=3, 7661/3.8=2 HB2 SER 130 - HB2 ASN 120 lone 6 68 - 8 - 7689/4.4=3, 7661/3.8=2 Peak 3840 from cnoeabs.peaks (8.12, 2.80, 37.82 ppm; 3.68 A): 3 out of 9 assignments used, quality = 1.00: * H ASN 121 + HB2 ASN 121 OK 97 100 - 97 - 3.8=90, 7700/1.8=37...(8) H ASN 121 + HB2 ASN 120 OK 72 85 - 85 - 4.4=57, 7674/3.8=23...(13) H ASN 121 + HB3 ASN 120 OK 72 85 - 85 - 4.4=57, 7674/3.8=23...(13) H GLU 91 - HB2 ASN 121 OK 13 96 - 13 - 3848/1.8=3, 3829/3.0=3...(6) H PHE 87 - HB2 ASN 121 OK 12 92 - 12 - 3848/1.8=3, 3829/3.0=3...(5) H GLU 91 - HB2 ASN 120 lone 4 77 - 6 - 3811/3.0=1, 7674/3.8=1 H GLU 91 - HB3 ASN 120 lone 4 77 - 6 - 3811/3.0=1, 7674/3.8=1 H PHE 87 - HB2 ASN 120 lone 4 73 - 6 - 7674/3.8=2, 3811/3.0=2 H PHE 87 - HB3 ASN 120 lone 4 73 - 6 - 7674/3.8=2, 3811/3.0=2 Peak 3841 from cnoeabs.peaks (4.49, 2.80, 37.82 ppm; 4.10 A): 3 out of 3 assignments used, quality = 1.00: * HA ASN 121 + HB2 ASN 121 OK 100 100 - 100 - 3.0=100 HA ASN 121 + HB3 ASN 120 OK 70 85 - 83 - 3831=14, 3831/1.8=13...(30) HA ASN 121 + HB2 ASN 120 OK 70 85 - 83 - 3831=14, 3831/1.8=13...(30) Peak 3842 from cnoeabs.peaks (2.80, 2.80, 37.82 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB2 ASN 121 + HB2 ASN 121 OK 100 100 - 100 HB3 ASN 120 + HB3 ASN 120 OK 83 83 - 100 HB2 ASN 120 + HB2 ASN 120 OK 83 83 - 100 Peak 3843 from cnoeabs.peaks (2.98, 2.80, 37.82 ppm; 3.25 A): 3 out of 12 assignments used, quality = 1.00: * HB3 ASN 121 + HB2 ASN 121 OK 100 100 - 100 - 1.8=100 HB3 ASN 121 + HB2 ASN 120 OK 53 85 - 63 - 7700/4.4=14, 3850=12...(26) HB3 ASN 121 + HB3 ASN 120 OK 53 85 - 63 - 7700/4.4=14, 3850=12...(26) HE3 LYS 26 - HB2 ASN 121 lone 5 81 - 6 - 3832/3.0=1 HE2 LYS 26 - HB2 ASN 121 lone 5 81 - 6 - 3832/3.0=1 HE3 LYS 31 - HB2 ASN 121 lone 2 81 - 3 - HE2 LYS 26 - HB3 ASN 120 lone 1 62 - 2 - HE3 LYS 26 - HB3 ASN 120 lone 1 62 - 2 - HE3 LYS 26 - HB2 ASN 120 lone 1 62 - 2 - HE2 LYS 26 - HB2 ASN 120 lone 1 62 - 2 - HE3 LYS 31 - HB2 ASN 120 lone 1 62 - 1 - HE3 LYS 31 - HB3 ASN 120 lone 1 62 - 1 - Peak 3844 from cnoeabs.peaks (6.88, 2.80, 37.82 ppm; 4.93 A): 3 out of 6 assignments used, quality = 1.00: * HD21 ASN 121 + HB2 ASN 121 OK 100 100 - 100 - 3.5=100 HD21 ASN 121 + HB2 ASN 120 OK 68 85 - 80 - 7706/4.4=21, 7708=13...(23) HD21 ASN 121 + HB3 ASN 120 OK 68 85 - 80 - 7706/4.4=21, 7708=13...(23) HE21 GLN 61 - HB2 ASN 121 OK 22 98 - 22 - 3852/1.8=6, 3833/3.0=5...(6) HE21 GLN 61 - HB2 ASN 120 lone 7 81 - 8 - 7701/4.4=4 HE21 GLN 61 - HB3 ASN 120 lone 7 81 - 8 - 7701/4.4=4 Peak 3845 from cnoeabs.peaks (7.78, 2.80, 37.82 ppm; 4.55 A): 3 out of 6 assignments used, quality = 1.00: * HD22 ASN 121 + HB2 ASN 121 OK 100 100 - 100 - 3.5=100 HD22 ASN 121 + HB2 ASN 120 OK 66 85 - 77 - 7702/4.4=24, 7714=13...(24) HD22 ASN 121 + HB3 ASN 120 OK 66 85 - 77 - 7702/4.4=24, 7714=13...(24) H GLY 75 - HB2 ASN 121 lone 4 57 - 6 - 7727/4.3=1, 3853/1.8=1 H GLY 75 - HB2 ASN 120 lone 1 42 - 2 - H GLY 75 - HB3 ASN 120 lone 1 42 - 2 - Peak 3846 from cnoeabs.peaks (8.18, 2.80, 37.82 ppm; 4.54 A): 3 out of 3 assignments used, quality = 1.00: * H LEU 122 + HB2 ASN 121 OK 100 100 - 100 - 4.3=100 H LEU 122 + HB3 ASN 120 OK 69 85 - 81 - 7703/4.4=31, 7675/3.8=30...(15) H LEU 122 + HB2 ASN 120 OK 69 85 - 81 - 7703/4.4=31, 7675/3.8=30...(15) Peak 3847 from cnoeabs.peaks (3.81, 2.98, 37.82 ppm; 6.80 A): 2 out of 3 assignments used, quality = 0.99: * HA VAL 118 + HB3 ASN 121 OK 98 100 - 98 - 3.2/11538=43...(15) HD3 PRO 58 + HB3 ASN 121 OK 54 96 - 57 - 10336/3.5=19...(8) HB2 SER 130 - HB3 ASN 121 OK 22 87 - 25 - 10336/3.5=7, ~10495=5...(7) Peak 3848 from cnoeabs.peaks (8.12, 2.98, 37.82 ppm; 4.04 A): 1 out of 3 assignments used, quality = 1.00: * H ASN 121 + HB3 ASN 121 OK 100 100 - 100 - 3.8=100 H GLU 91 - HB3 ASN 121 OK 12 96 - 13 - 3829/3.0=3, 7706/3.5=3...(5) H PHE 87 - HB3 ASN 121 OK 12 92 - 13 - 3829/3.0=3, 7722/4.3=3...(5) Peak 3849 from cnoeabs.peaks (4.49, 2.98, 37.82 ppm; 4.16 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 121 + HB3 ASN 121 OK 100 100 - 100 - 3.0=100 Peak 3850 from cnoeabs.peaks (2.80, 2.98, 37.82 ppm; 3.37 A): 3 out of 4 assignments used, quality = 1.00: * HB2 ASN 121 + HB3 ASN 121 OK 100 100 - 100 - 1.8=100 HB3 ASN 120 + HB3 ASN 121 OK 64 99 - 65 - 4.4/7700=15, 3843=12...(26) HB2 ASN 120 + HB3 ASN 121 OK 64 99 - 65 - 4.4/7700=15, 3843=12...(26) HB3 ASP 64 - HB3 ASN 121 lone 3 98 - 3 - Peak 3851 from cnoeabs.peaks (2.98, 2.98, 37.82 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 121 + HB3 ASN 121 OK 100 100 - 100 Peak 3852 from cnoeabs.peaks (6.88, 2.98, 37.82 ppm; 5.70 A): 1 out of 2 assignments used, quality = 1.00: * HD21 ASN 121 + HB3 ASN 121 OK 100 100 - 100 - 3.5=100 HE21 GLN 61 - HB3 ASN 121 OK 25 98 - 25 - 3833/3.0=7, 7701/3.8=6...(6) Peak 3853 from cnoeabs.peaks (7.78, 2.98, 37.82 ppm; 4.23 A): 1 out of 2 assignments used, quality = 1.00: * HD22 ASN 121 + HB3 ASN 121 OK 100 100 - 100 - 3.5=100 H GLY 75 - HB3 ASN 121 lone 3 57 - 4 - 7727/4.3=1 Peak 3854 from cnoeabs.peaks (8.18, 2.98, 37.82 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 122 + HB3 ASN 121 OK 100 100 - 100 - 4.3=100 Peak 3855 from cnoeabs.peaks (8.18, 4.05, 58.49 ppm; 4.19 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 122 + HA LEU 122 OK 100 100 - 100 - 2.9=100 H LEU 122 - HA GLU 102 OK 30 56 - 55 - 7728=12, 7720/3.6=9...(16) Peak 3856 from cnoeabs.peaks (4.05, 4.05, 58.49 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA LEU 122 + HA LEU 122 OK 100 100 - 100 HA GLU 102 + HA GLU 102 OK 55 55 - 100 Peak 3857 from cnoeabs.peaks (1.61, 4.05, 58.49 ppm; 4.03 A): 2 out of 10 assignments used, quality = 1.00: * HB2 LEU 122 + HA LEU 122 OK 100 100 - 100 - 3.0=100 HG LEU 122 + HA LEU 122 OK 94 96 - 98 - 4.3=85, 2.1/3860=29...(16) HB2 LEU 122 - HA GLU 102 OK 29 56 - 53 - 3868=10, 3.1/3901=8...(14) HG LEU 122 - HA GLU 102 OK 22 49 - 46 - 2.1/3901=10, 3885=9...(8) HG LEU 70 - HA LEU 122 OK 11 98 - 11 - ~2272=2, ~2264=2, 7729/2.9=2 HG LEU 22 - HA LEU 122 lone 6 73 - 8 - ~11748=2, 7729/2.9=1 HB3 LEU 22 - HA LEU 122 lone 6 73 - 7 - ~11748=2, 7729/2.9=1 HG LEU 70 - HA GLU 102 lone 1 52 - 2 - HG LEU 22 - HA GLU 102 lone 1 34 - 2 - HB3 LEU 22 - HA GLU 102 lone 1 34 - 2 - Peak 3858 from cnoeabs.peaks (1.79, 4.05, 58.49 ppm; 3.79 A): 2 out of 10 assignments used, quality = 1.00: * HB3 LEU 122 + HA LEU 122 OK 100 100 - 100 - 3.0=100 HB3 LEU 103 + HA LEU 122 OK 79 100 - 80 - 3876/2.9=11, 3870/3.0=11...(28) HB2 LYS 86 - HA LEU 122 OK 37 100 - 37 - 9821/3.8=10, 3870/3.0=5...(10) HB3 LEU 122 - HA GLU 102 OK 31 56 - 55 - 11410/2.9=9, 7474/3.6=8...(15) HB3 LEU 103 - HA GLU 102 OK 29 55 - 52 - ~10066=14, 7474/3.6=13...(11) HB3 LEU 123 - HA LEU 122 poor 6 32 - 19 - 4.6/7760=11, 7744/3.6=3 HB3 LEU 98 - HA LEU 122 lone 5 65 - 8 - 4.6/7372=1 HB2 LYS 86 - HA GLU 102 lone 5 55 - 9 - 7474/3.6=2, 11410/2.9=2 HB3 LEU 98 - HA GLU 102 poor 5 30 - 16 - ~7442=3, ~7447=3...(6) HB3 LEU 123 - HA GLU 102 lone 1 14 - 8 - 4.6/7760=4, 3.9/7742=3 Peak 3859 from cnoeabs.peaks (1.60, 4.05, 58.49 ppm; 4.03 A): 2 out of 6 assignments used, quality = 1.00: * HG LEU 122 + HA LEU 122 OK 98 100 - 98 - 4.3=85, 2.1/3860=29...(16) HB2 LEU 122 + HA LEU 122 OK 96 96 - 100 - 3.0=100 HB2 LEU 122 - HA GLU 102 OK 26 49 - 53 - 3868=9, 3.1/3901=8...(14) HG LEU 122 - HA GLU 102 OK 26 56 - 47 - 3885=10, 2.1/3901=10...(8) HG LEU 70 - HA LEU 122 poor 9 81 - 11 - ~2272=2, ~2264=2, 7729/2.9=2 HG LEU 70 - HA GLU 102 lone 1 38 - 2 - Peak 3860 from cnoeabs.peaks (0.81, 4.05, 58.49 ppm; 3.09 A): 4 out of 6 assignments used, quality = 0.90: * QD1 LEU 122 + HA LEU 122 OK 84 100 - 84 - 3.8=52, 2.1/3901=16...(14) QD2 LEU 119 + HA LEU 122 OK 18 87 - 21 - 7732/2.9=5, 3872/3.0=4...(6) QD1 LEU 122 + HA GLU 102 OK 17 56 - 32 - 3893=8, 2.1/3901=7...(8) QG2 ILE 80 + HA LEU 122 OK 10 81 - 12 - 11177=3, 3872/3.0=2...(7) QD2 LEU 119 - HA GLU 102 lone 2 42 - 4 - 3796/3.6=1 QG2 ILE 80 - HA GLU 102 lone 1 38 - 2 - Peak 3861 from cnoeabs.peaks (0.79, 4.05, 58.49 ppm; 3.01 A): 4 out of 10 assignments used, quality = 0.93: * QD2 LEU 122 + HA LEU 122 OK 81 100 - 81 - 3.9=44, 2.1/3860=19...(12) QD1 LEU 103 + HA LEU 122 OK 46 92 - 50 - 11714/2.9=8, 3873/3.0=7...(19) QD2 LEU 122 + HA GLU 102 OK 19 56 - 35 - 3901=9, 2.1/3893=6...(10) QD1 LEU 103 + HA GLU 102 OK 11 46 - 24 - 3396/3.6=6, ~10066=5...(6) QD1 ILE 37 - HA LEU 122 lone 6 73 - 9 - 7747/3.6=2, 7733/2.9=1...(4) QG1 VAL 63 - HA LEU 122 lone 6 96 - 6 - QD1 LEU 53 - HA LEU 122 lone 6 81 - 7 - ~11749=1, 7733/2.9=1 QG1 VAL 63 - HA GLU 102 lone 4 49 - 8 - 10068/2.9=2, 7476/3.6=2...(4) QD1 ILE 37 - HA GLU 102 lone 2 34 - 6 - 7476/3.6=3, 10068/2.9=1 QD1 LEU 53 - HA GLU 102 lone 1 38 - 3 - Peak 3862 from cnoeabs.peaks (8.26, 4.05, 58.49 ppm; 3.72 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 123 + HA LEU 122 OK 100 100 - 100 - 3.6=100 H GLU 30 + HA LEU 122 OK 52 98 - 53 - 7734/2.9=10, 7742=9...(11) H LEU 123 - HA GLU 102 OK 15 56 - 27 - 3.3/7728=6, 7742=5...(9) H GLU 30 - HA GLU 102 lone 5 52 - 10 - 7742=2, 3907/3901=1, 3899/3893=1 Peak 3863 from cnoeabs.peaks (8.04, 4.05, 58.49 ppm; 4.12 A): 4 out of 10 assignments used, quality = 0.89: * H CYS 125 + HA LEU 122 OK 79 100 - 79 - 7775=24, 7776/3.6=20...(12) H CYS 125 + HA GLU 102 OK 24 56 - 43 - 7775=11, 3.4/7760=6...(11) H LEU 48 + HA LEU 122 OK 21 99 - 22 - 6575=9, 7755/3.6=4...(6) H TYR 76 + HA LEU 122 OK 11 100 - 11 - 9610/3.9=5, 7755/3.6=2 H LEU 48 - HA GLU 102 poor 8 54 - 15 - 6575=6, 3.6/6563=2...(4) H CYS 79 - HA LEU 122 lone 7 100 - 7 - 7062/3864=2, 4.3/3864=2 H CYS 79 - HA GLU 102 lone 3 56 - 5 - H SER 130 - HA LEU 122 lone 2 73 - 3 - H TYR 76 - HA GLU 102 lone 2 56 - 3 - H SER 130 - HA GLU 102 lone 1 34 - 2 - Peak 3864 from cnoeabs.peaks (2.74, 4.05, 58.49 ppm; 4.23 A): 2 out of 4 assignments used, quality = 0.60: * HB2 CYS 125 + HA LEU 122 OK 52 100 - 52 - 1.8/3865=23, 3988=21...(5) HB2 CYS 125 + HA GLU 102 OK 17 56 - 31 - 3988=11, 1.8/3865=8...(6) HB3 ASP 78 - HA LEU 122 lone 5 99 - 5 - 7783/7775=1, 3997/3865=1 HB3 ASP 78 - HA GLU 102 lone 2 54 - 3 - Peak 3865 from cnoeabs.peaks (3.21, 4.05, 58.49 ppm; 4.61 A): 2 out of 8 assignments used, quality = 0.64: * HB3 CYS 125 + HA LEU 122 OK 56 100 - 56 - 1.8/3864=30, 3994=19...(4) HB3 CYS 125 + HA GLU 102 OK 19 56 - 34 - 3994=10, 1.8/3864=10...(6) HB3 HIS 8 - HA LEU 122 lone 1 92 - 2 - HD3 ARG 84 - HA LEU 122 lone 1 73 - 2 - HD2 ARG 84 - HA LEU 122 lone 1 73 - 2 - HB3 HIS 8 - HA GLU 102 lone 1 46 - 1 - HD2 ARG 84 - HA GLU 102 lone 0 34 - 1 - HD3 ARG 84 - HA GLU 102 lone 0 34 - 1 - Peak 3866 from cnoeabs.peaks (4.03, 1.61, 41.93 ppm; 4.16 A): 4 out of 6 assignments used, quality = 0.91: * HA LEU 119 + HB2 LEU 122 OK 66 100 - 66 - 3762/3.5=21, 3764/1.8=21...(12) HA LEU 103 + HB2 LEU 122 OK 49 65 - 75 - 3.0/3870=12, 4.1/3873=10...(27) HB3 SER 124 + HB2 LEU 122 OK 39 96 - 41 - 10373/3.1=12, 10371=9...(8) HA ILE 37 + HB2 LEU 122 OK 15 92 - 16 - ~10913=3, 7737/4.3=2...(6) HA LYS 95 - HB2 LEU 122 lone 7 87 - 7 - 2963/1.8=1, 7719/3.5=1 HA ARG 135 - HB2 LEU 122 lone 2 73 - 2 - Peak 3867 from cnoeabs.peaks (8.18, 1.61, 41.93 ppm; 4.31 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 122 + HB2 LEU 122 OK 100 100 - 100 - 3.5=100 Peak 3868 from cnoeabs.peaks (4.05, 1.61, 41.93 ppm; 4.42 A): 2 out of 5 assignments used, quality = 1.00: * HA LEU 122 + HB2 LEU 122 OK 100 100 - 100 - 3.0=100 HA GLU 102 + HB2 LEU 122 OK 56 100 - 57 - 3901/3.1=9, 3893/3.1=9...(15) HA ALA 92 - HB2 LEU 122 OK 28 99 - 28 - 11312/4.3=11, 7728/3.5=4...(6) HA GLU 44 - HB2 LEU 122 OK 17 100 - 17 - 7728/3.5=2, 3885/3.0=2...(9) HA LEU 96 - HB2 LEU 122 OK 11 73 - 15 - 3901/3.1=2, 3893/3.1=2...(6) Peak 3869 from cnoeabs.peaks (1.61, 1.61, 41.93 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 122 + HB2 LEU 122 OK 100 100 - 100 Peak 3870 from cnoeabs.peaks (1.79, 1.61, 41.93 ppm; 3.60 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LEU 122 + HB2 LEU 122 OK 100 100 - 100 - 1.8=100 HB3 LEU 103 + HB2 LEU 122 OK 83 100 - 83 - 3887/3.0=10, 3878=10...(32) HB2 LYS 86 - HB2 LEU 122 OK 41 100 - 41 - 9821/3.1=10, ~2639=6...(11) HB3 LEU 123 - HB2 LEU 122 poor 6 32 - 20 - 3.9/3874=12, ~11571=3 HB3 LEU 98 - HB2 LEU 122 lone 4 65 - 6 - Peak 3871 from cnoeabs.peaks (1.60, 1.61, 41.93 ppm; diagonal): 1 out of 1 assignment used, quality = 0.96: HB2 LEU 122 + HB2 LEU 122 OK 96 96 - 100 Reference assignment not found: HG LEU 122 - HB2 LEU 122 Peak 3872 from cnoeabs.peaks (0.81, 1.61, 41.93 ppm; 3.61 A): 1 out of 3 assignments used, quality = 1.00: * QD1 LEU 122 + HB2 LEU 122 OK 100 100 - 100 - 3.1=100 QD2 LEU 119 - HB2 LEU 122 OK 32 87 - 37 - 3.9/3866=7, 7732/3.5=6...(11) QG2 ILE 80 - HB2 LEU 122 OK 14 81 - 17 - 11177/3.0=4, 3881/1.8=2...(6) Peak 3873 from cnoeabs.peaks (0.79, 1.61, 41.93 ppm; 3.72 A): 2 out of 5 assignments used, quality = 1.00: * QD2 LEU 122 + HB2 LEU 122 OK 100 100 - 100 - 3.1=100 QD1 LEU 103 + HB2 LEU 122 OK 74 92 - 81 - 11714/3.5=13...(29) QD1 ILE 37 - HB2 LEU 122 OK 12 73 - 17 - ~10913=3, 7747/4.3=2...(9) QG1 VAL 63 - HB2 LEU 122 OK 11 96 - 11 - 3890/3.0=2, 3882/1.8=1...(5) QD1 LEU 53 - HB2 LEU 122 poor 9 81 - 11 - ~11749=2, 7733/3.5=1...(4) Peak 3874 from cnoeabs.peaks (8.26, 1.61, 41.93 ppm; 4.15 A): 2 out of 2 assignments used, quality = 0.99: * H LEU 123 + HB2 LEU 122 OK 97 100 - 97 - 4.3=87, 3907/3.1=20...(14) H GLU 30 + HB2 LEU 122 OK 56 98 - 58 - 3907/3.1=13, 3899/3.1=12...(8) Peak 3875 from cnoeabs.peaks (4.03, 1.79, 41.93 ppm; 3.52 A): 5 out of 12 assignments used, quality = 0.95: HA LEU 103 + HB3 LEU 103 OK 54 54 - 100 - 3.0=100 * HA LEU 119 + HB3 LEU 122 OK 54 100 - 54 - 3764=17, 3762/3.5=15...(11) HA LEU 103 + HB3 LEU 122 OK 46 65 - 70 - 3.0/3374=10, 3.0/7474=9...(29) HA ILE 37 + HB3 LEU 103 OK 37 79 - 47 - 3.2/10913=12, 1078/3.2=6...(18) HA LEU 119 + HB3 LEU 103 OK 26 91 - 29 - 3764=9, ~11426=4...(10) HB3 SER 124 - HB3 LEU 122 OK 26 96 - 27 - 10373/3.1=9, 3866/1.8=6...(5) HA ILE 37 - HB3 LEU 122 OK 14 92 - 15 - 3.2/10913=3, 3866/1.8=2...(5) HA LYS 95 - HB3 LEU 103 lone 6 74 - 8 - 2963=1 HB3 SER 124 - HB3 LEU 103 lone 6 83 - 7 - 10373/3.2=2, 7719/3876=1 HA LYS 95 - HB3 LEU 122 lone 5 87 - 6 - 3866/1.8=1 HA ARG 135 - HB3 LEU 103 lone 3 61 - 5 - HA ARG 135 - HB3 LEU 122 lone 2 73 - 2 - Peak 3876 from cnoeabs.peaks (8.18, 1.79, 41.93 ppm; 4.25 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 122 + HB3 LEU 122 OK 100 100 - 100 - 3.5=100 H LEU 122 + HB3 LEU 103 OK 76 91 - 84 - 11714/3.2=16, 7730=16...(29) Peak 3877 from cnoeabs.peaks (4.05, 1.79, 41.93 ppm; 3.54 A): 3 out of 10 assignments used, quality = 1.00: * HA LEU 122 + HB3 LEU 122 OK 100 100 - 100 - 3.0=100 HA LEU 122 + HB3 LEU 103 OK 68 91 - 75 - 3858=11, 2.9/3876=9...(27) HA GLU 102 + HB3 LEU 122 OK 48 100 - 49 - 2.9/11410=8, 3.6/7474=7...(15) HA GLU 102 - HB3 LEU 103 OK 41 91 - 46 - ~10066=12, 3.6/7474=11...(9) HA ALA 92 - HB3 LEU 122 OK 20 99 - 20 - 11312/4.3=6, 3868/1.8=3...(6) HA GLU 44 - HB3 LEU 122 OK 13 100 - 13 - 3868/1.8=2, 3901/3.1=2...(5) HA LEU 96 - HB3 LEU 122 poor 8 73 - 11 - 3901/3.1=2, 3893/3.1=1 HA GLU 44 - HB3 LEU 103 lone 6 91 - 7 - 7467/3.9=2, ~10069=1 HA LEU 96 - HB3 LEU 103 poor 6 61 - 11 - 3.6/11730=3, 7467/3.9=1 HA ALA 92 - HB3 LEU 103 lone 6 89 - 6 - 7484/4.6=2, 7467/3.9=1 Peak 3878 from cnoeabs.peaks (1.61, 1.79, 41.93 ppm; 3.15 A): 4 out of 10 assignments used, quality = 1.00: * HB2 LEU 122 + HB3 LEU 122 OK 100 100 - 100 - 1.8=100 HG LEU 122 + HB3 LEU 122 OK 96 96 - 100 - 3.0=100 HB2 LEU 122 + HB3 LEU 103 OK 67 91 - 74 - 3870=12, 3.0/3887=8...(32) HG LEU 122 + HB3 LEU 103 OK 56 83 - 68 - 3887=15, 2.1/3895=10...(26) HG LEU 70 - HB3 LEU 122 lone 8 98 - 9 - ~2272=2, ~2264=2 HG LEU 22 - HB3 LEU 122 lone 4 73 - 6 - ~11748=1 HB3 LEU 22 - HB3 LEU 122 lone 4 73 - 5 - HG LEU 22 - HB3 LEU 103 lone 1 61 - 1 - HG LEU 70 - HB3 LEU 103 lone 1 87 - 1 - HB3 LEU 22 - HB3 LEU 103 lone 1 61 - 1 - Peak 3879 from cnoeabs.peaks (1.79, 1.79, 41.93 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 LEU 122 + HB3 LEU 122 OK 100 100 - 100 HB3 LEU 103 + HB3 LEU 103 OK 91 91 - 100 Peak 3880 from cnoeabs.peaks (1.60, 1.79, 41.93 ppm; 3.15 A): 4 out of 6 assignments used, quality = 1.00: * HG LEU 122 + HB3 LEU 122 OK 100 100 - 100 - 3.0=100 HB2 LEU 122 + HB3 LEU 122 OK 96 96 - 100 - 1.8=100 HG LEU 122 + HB3 LEU 103 OK 62 91 - 69 - 3887=16, 2.1/3895=10...(26) HB2 LEU 122 + HB3 LEU 103 OK 61 83 - 74 - 3870=11, 3.0/3887=8...(32) HG LEU 70 - HB3 LEU 122 lone 7 81 - 8 - ~2272=2, ~2264=2 HG LEU 70 - HB3 LEU 103 lone 1 68 - 1 - Peak 3881 from cnoeabs.peaks (0.81, 1.79, 41.93 ppm; 3.30 A): 2 out of 6 assignments used, quality = 1.00: * QD1 LEU 122 + HB3 LEU 122 OK 100 100 - 100 - 3.1=100 QD1 LEU 122 + HB3 LEU 103 OK 68 91 - 74 - 3895=16, 11702/3.0=12...(29) QD2 LEU 119 - HB3 LEU 122 OK 31 87 - 35 - 3.9/3764=8, 3872/1.8=7...(11) QG2 ILE 80 - HB3 LEU 122 OK 13 81 - 16 - 11177/3.0=3, 3872/1.8=3...(7) QD2 LEU 119 - HB3 LEU 103 OK 12 74 - 16 - 3.9/3764=4, 3790/3.0=1 QG2 ILE 80 - HB3 LEU 103 lone 3 68 - 5 - 10531/11659=2 Peak 3882 from cnoeabs.peaks (0.79, 1.79, 41.93 ppm; 3.23 A): 4 out of 10 assignments used, quality = 1.00: * QD2 LEU 122 + HB3 LEU 122 OK 100 100 - 100 - 3.1=100 QD1 LEU 103 + HB3 LEU 103 OK 79 79 - 100 - 3.2=100 QD1 LEU 103 + HB3 LEU 122 OK 68 92 - 74 - 3399=13, 2.1/3391=12...(27) QD2 LEU 122 + HB3 LEU 103 OK 65 91 - 72 - 3903=14, 2.1/3887=11...(28) QD1 ILE 37 - HB3 LEU 103 OK 36 61 - 60 - 3.0/10913=10, ~3375=7...(24) QG1 VAL 63 - HB3 LEU 103 OK 35 83 - 41 - 11015/3.0=8, ~11720=6...(13) QD1 ILE 37 - HB3 LEU 122 OK 12 73 - 17 - 3.0/10913=3, 3873/1.8=2...(6) QG1 VAL 63 - HB3 LEU 122 OK 12 96 - 12 - 3873/1.8=1, 11015/3391=1 QD1 LEU 53 - HB3 LEU 122 lone 7 81 - 9 - ~11749=1, 3873/1.8=1, 7733/3.5=1 QD1 LEU 53 - HB3 LEU 103 lone 2 68 - 3 - Peak 3883 from cnoeabs.peaks (8.26, 1.79, 41.93 ppm; 3.99 A): 3 out of 4 assignments used, quality = 0.99: * H LEU 123 + HB3 LEU 122 OK 94 100 - 94 - 4.3=78, 3874/1.8=23...(12) H GLU 30 + HB3 LEU 122 OK 55 98 - 56 - 3874/1.8=13, 3907/3.1=12...(7) H LEU 123 + HB3 LEU 103 OK 49 91 - 54 - 3.3/3876=11, ~11714=9...(13) H GLU 30 - HB3 LEU 103 OK 13 87 - 15 - 3907/3903=2, 7744=2...(8) Peak 3884 from cnoeabs.peaks (8.18, 1.60, 27.00 ppm; 4.27 A): 1 out of 1 assignment used, quality = 0.99: * H LEU 122 + HG LEU 122 OK 99 100 - 99 - 4.6=81, 3900/2.1=35...(27) Peak 3885 from cnoeabs.peaks (4.05, 1.60, 27.00 ppm; 4.27 A): 2 out of 5 assignments used, quality = 1.00: * HA LEU 122 + HG LEU 122 OK 100 100 - 100 - 4.3=100 HA GLU 102 + HG LEU 122 OK 46 100 - 46 - 3901/2.1=11, 3893/2.1=10...(8) HA ALA 92 - HG LEU 122 OK 21 99 - 21 - 3893/2.1=4, 3868/3.0=4...(6) HA GLU 44 - HG LEU 122 OK 13 100 - 12 - 3901/2.1=3, 3893/2.1=2...(5) HA LEU 96 - HG LEU 122 poor 8 73 - 11 - 3901/2.1=3, 3893/2.1=2...(4) Peak 3886 from cnoeabs.peaks (1.61, 1.60, 27.00 ppm; diagonal): 1 out of 1 assignment used, quality = 0.96: HG LEU 122 + HG LEU 122 OK 96 96 - 100 Reference assignment not found: HB2 LEU 122 - HG LEU 122 Peak 3887 from cnoeabs.peaks (1.79, 1.60, 27.00 ppm; 3.03 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LEU 122 + HG LEU 122 OK 100 100 - 100 - 3.0=100 HB3 LEU 103 + HG LEU 122 OK 62 100 - 63 - 3895/2.1=10, 3903/2.1=9...(25) HB2 LYS 86 - HG LEU 122 OK 27 100 - 27 - 9821/2.1=8, 3903/2.1=4...(10) HB3 LEU 123 - HG LEU 122 poor 5 32 - 14 - 3.9/3891=7, ~11571=3 HB3 LEU 98 - HG LEU 122 lone 2 65 - 3 - Peak 3888 from cnoeabs.peaks (1.60, 1.60, 27.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 122 + HG LEU 122 OK 100 100 - 100 Peak 3889 from cnoeabs.peaks (0.81, 1.60, 27.00 ppm; 2.91 A): 1 out of 3 assignments used, quality = 1.00: * QD1 LEU 122 + HG LEU 122 OK 100 100 - 100 - 2.1=100 QD2 LEU 119 - HG LEU 122 OK 20 87 - 23 - 3872/3.0=4, 3905/2.1=4...(10) QG2 ILE 80 - HG LEU 122 poor 9 81 - 10 - 11177/4.3=2, 3905/2.1=2...(4) Peak 3890 from cnoeabs.peaks (0.79, 1.60, 27.00 ppm; 2.98 A): 2 out of 5 assignments used, quality = 1.00: * QD2 LEU 122 + HG LEU 122 OK 100 100 - 100 - 2.1=100 QD1 LEU 103 + HG LEU 122 OK 51 92 - 55 - 3898/2.1=9, 3.2/3887=7...(23) QG1 VAL 63 - HG LEU 122 lone 8 96 - 8 - 3898/2.1=1 QD1 ILE 37 - HG LEU 122 lone 6 73 - 9 - 3873/3.0=1, 3898/2.1=1, ~10913=1 QD1 LEU 53 - HG LEU 122 lone 5 81 - 7 - Peak 3891 from cnoeabs.peaks (8.26, 1.60, 27.00 ppm; 4.25 A): 2 out of 2 assignments used, quality = 0.95: * H LEU 123 + HG LEU 122 OK 88 100 - 88 - 3.3/3884=29, 3907/2.1=26...(12) H GLU 30 + HG LEU 122 OK 57 98 - 58 - 3907/2.1=17, 3899/2.1=16...(8) Peak 3892 from cnoeabs.peaks (8.18, 0.81, 25.23 ppm; 4.33 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 122 + QD1 LEU 122 OK 100 100 - 100 - 4.3=100 Peak 3893 from cnoeabs.peaks (4.05, 0.81, 25.23 ppm; 3.35 A): 2 out of 5 assignments used, quality = 0.94: * HA LEU 122 + QD1 LEU 122 OK 91 100 - 91 - 3.8=66, 3901/2.1=18...(16) HA GLU 102 + QD1 LEU 122 OK 34 100 - 34 - 3901/2.1=8, 3860=7...(8) HA ALA 92 - QD1 LEU 122 OK 14 99 - 14 - 3901/2.1=3, 3885/2.1=2...(7) HA GLU 44 - QD1 LEU 122 lone 8 100 - 8 - 3901/2.1=2, 3885/2.1=1...(4) HA LEU 96 - QD1 LEU 122 poor 8 73 - 11 - 3064/11702=3, 3901/2.1=2 Peak 3894 from cnoeabs.peaks (1.61, 0.81, 25.23 ppm; 3.03 A): 2 out of 5 assignments used, quality = 1.00: * HB2 LEU 122 + QD1 LEU 122 OK 96 100 - 96 - 3.1=89, 3.0/3860=15...(17) HG LEU 122 + QD1 LEU 122 OK 96 96 - 100 - 2.1=100 HG LEU 70 - QD1 LEU 122 lone 6 98 - 6 - HG LEU 22 - QD1 LEU 122 lone 2 73 - 3 - HB3 LEU 22 - QD1 LEU 122 lone 2 73 - 3 - Peak 3895 from cnoeabs.peaks (1.79, 0.81, 25.23 ppm; 3.18 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LEU 122 + QD1 LEU 122 OK 100 100 - 100 - 3.1=100 HB3 LEU 103 + QD1 LEU 122 OK 71 100 - 71 - 3881=13, 3.0/11702=11...(28) HB2 LYS 86 - QD1 LEU 122 OK 35 100 - 35 - 9821=9, 3.0/9819=6...(11) HB3 LEU 123 - QD1 LEU 122 poor 6 32 - 17 - 3.9/3899=9, ~11571=3...(4) HB3 LEU 98 - QD1 LEU 122 lone 3 65 - 5 - 4.6/11382=1 Peak 3896 from cnoeabs.peaks (1.60, 0.81, 25.23 ppm; 3.03 A): 2 out of 3 assignments used, quality = 1.00: * HG LEU 122 + QD1 LEU 122 OK 100 100 - 100 - 2.1=100 HB2 LEU 122 + QD1 LEU 122 OK 92 96 - 96 - 3.1=89, 3.0/3860=15...(16) HG LEU 70 - QD1 LEU 122 lone 4 81 - 5 - Peak 3897 from cnoeabs.peaks (0.81, 0.81, 25.23 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 122 + QD1 LEU 122 OK 100 100 - 100 Peak 3898 from cnoeabs.peaks (0.79, 0.81, 25.23 ppm; 2.50 A): 1 out of 5 assignments used, quality = 1.00: * QD2 LEU 122 + QD1 LEU 122 OK 100 100 - 100 - 2.1=100 QD1 LEU 103 - QD1 LEU 122 OK 38 92 - 42 - 3890/2.1=6, 3.2/3895=5...(18) QG1 VAL 63 - QD1 LEU 122 lone 5 96 - 5 - QD1 ILE 37 - QD1 LEU 122 lone 4 73 - 6 - QD1 LEU 53 - QD1 LEU 122 lone 4 81 - 4 - Peak 3899 from cnoeabs.peaks (8.26, 0.81, 25.23 ppm; 3.89 A): 2 out of 2 assignments used, quality = 0.95: * H LEU 123 + QD1 LEU 122 OK 88 100 - 88 - 3907/2.1=23, 7746=23...(17) H GLU 30 + QD1 LEU 122 OK 56 98 - 57 - 3907/2.1=15, 7746=12...(8) Peak 3900 from cnoeabs.peaks (8.18, 0.79, 26.05 ppm; 4.36 A): 1 out of 1 assignment used, quality = 0.98: * H LEU 122 + QD2 LEU 122 OK 98 100 - 98 - 5.1=64, 3884/2.1=37...(26) Peak 3901 from cnoeabs.peaks (4.05, 0.79, 26.05 ppm; 3.36 A): 3 out of 5 assignments used, quality = 0.95: * HA LEU 122 + QD2 LEU 122 OK 90 100 - 90 - 3.9=62, 3860/2.1=23...(13) HA GLU 102 + QD2 LEU 122 OK 38 100 - 39 - 3893/2.1=7, 3885/2.1=5...(11) HA ALA 92 + QD2 LEU 122 OK 14 99 - 14 - 3893/2.1=3, 3885/2.1=2...(6) HA LEU 96 - QD2 LEU 122 poor 9 73 - 13 - 3064/11378=3...(5) HA GLU 44 - QD2 LEU 122 lone 9 100 - 9 - 3893/2.1=2, 3885/2.1=2 Peak 3902 from cnoeabs.peaks (1.61, 0.79, 26.05 ppm; 3.09 A): 2 out of 5 assignments used, quality = 1.00: * HB2 LEU 122 + QD2 LEU 122 OK 99 100 - 99 - 3.1=97, 3894/2.1=15...(17) HG LEU 122 + QD2 LEU 122 OK 96 96 - 100 - 2.1=100 HG LEU 70 - QD2 LEU 122 lone 6 98 - 6 - ~2272=1 HG LEU 22 - QD2 LEU 122 lone 2 73 - 3 - HB3 LEU 22 - QD2 LEU 122 lone 2 73 - 3 - Peak 3903 from cnoeabs.peaks (1.79, 0.79, 26.05 ppm; 3.40 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LEU 122 + QD2 LEU 122 OK 100 100 - 100 - 3.1=100 HB3 LEU 103 + QD2 LEU 122 OK 74 100 - 74 - 3887/2.1=12, 3895/2.1=12...(30) HB2 LYS 86 - QD2 LEU 122 OK 34 100 - 34 - 9821/2.1=11, 3887/2.1=5...(10) HB3 LEU 123 - QD2 LEU 122 poor 7 32 - 21 - 3.9/3907=11, 1.8/11571=6 HB3 LEU 98 - QD2 LEU 122 lone 3 65 - 5 - Peak 3904 from cnoeabs.peaks (1.60, 0.79, 26.05 ppm; 3.09 A): 2 out of 3 assignments used, quality = 1.00: * HG LEU 122 + QD2 LEU 122 OK 100 100 - 100 - 2.1=100 HB2 LEU 122 + QD2 LEU 122 OK 94 96 - 99 - 3.1=97, 3896/2.1=15...(15) HG LEU 70 - QD2 LEU 122 lone 5 81 - 6 - ~2272=1 Peak 3905 from cnoeabs.peaks (0.81, 0.79, 26.05 ppm; 2.50 A): 1 out of 3 assignments used, quality = 1.00: * QD1 LEU 122 + QD2 LEU 122 OK 100 100 - 100 - 2.1=100 QD2 LEU 119 - QD2 LEU 122 OK 13 87 - 15 - 3889/2.1=3, 3872/3.1=3...(8) QG2 ILE 80 - QD2 LEU 122 lone 6 81 - 7 - 3889/2.1=2, 11177/3.9=1 Peak 3906 from cnoeabs.peaks (0.79, 0.79, 26.05 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 122 + QD2 LEU 122 OK 100 100 - 100 Peak 3907 from cnoeabs.peaks (8.26, 0.79, 26.05 ppm; 3.65 A): 2 out of 2 assignments used, quality = 0.91: * H LEU 123 + QD2 LEU 122 OK 82 100 - 82 - 3.3/3900=21, 3899/2.1=19...(13) H GLU 30 + QD2 LEU 122 OK 53 98 - 54 - 3899/2.1=12, 3891/2.1=11...(9) Peak 3908 from cnoeabs.peaks (8.26, 3.85, 58.53 ppm; 4.03 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 123 + HA LEU 123 OK 100 100 - 100 - 2.9=100 H GLU 30 + HA LEU 123 OK 61 98 - 62 - 3919/3.0=12, 3928/3.0=11...(12) Peak 3909 from cnoeabs.peaks (3.85, 3.85, 58.53 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 123 + HA LEU 123 OK 100 100 - 100 Peak 3910 from cnoeabs.peaks (1.65, 3.85, 58.53 ppm; 3.84 A): 2 out of 11 assignments used, quality = 1.00: * HB2 LEU 123 + HA LEU 123 OK 100 100 - 100 - 3.0=100 HG LEU 62 + HA LEU 123 OK 55 99 - 55 - 2.1/1998=10, 2.1/2006=7...(17) HB2 LEU 98 - HA LEU 123 OK 45 99 - 45 - 3165/3.9=6, 3930/3.0=5...(17) HG LEU 43 - HA LEU 123 OK 25 81 - 31 - 2.1/11805=8, 4.6/3916=4...(10) HD2 LYS 19 - HA LEU 123 OK 18 100 - 18 - 3930/3.0=2, 3946/3.9=2...(6) HD3 LYS 19 - HA LEU 123 OK 18 100 - 18 - 3930/3.0=2, 3946/3.9=2...(6) HD3 LYS 26 - HA LEU 123 poor 8 73 - 11 - 3946/3.9=2, 3954/4.0=2...(4) HD2 LYS 95 - HA LEU 123 lone 4 96 - 4 - HD2 LYS 86 - HA LEU 123 lone 2 65 - 4 - HD3 LYS 86 - HA LEU 123 lone 2 65 - 4 - HD3 LYS 95 - HA LEU 123 lone 2 65 - 3 - Peak 3911 from cnoeabs.peaks (1.88, 3.85, 58.53 ppm; 4.29 A): 2 out of 3 assignments used, quality = 0.99: * HB3 LEU 123 + HA LEU 123 OK 98 98 - 100 - 3.0=100 HB3 LEU 119 + HA LEU 123 OK 70 96 - 73 - 11552/2.9=21...(14) HB3 LYS 36 - HA LEU 123 OK 32 73 - 44 - 3922/3.0=7, 3939/3.7=6...(15) Peak 3912 from cnoeabs.peaks (1.57, 3.85, 58.53 ppm; 4.29 A): 2 out of 4 assignments used, quality = 1.00: * HG LEU 123 + HA LEU 123 OK 100 100 - 100 - 3.7=100 HG13 ILE 37 + HA LEU 123 OK 55 87 - 63 - ~10916=18, ~11571=12...(13) HG LEU 49 - HA LEU 123 OK 35 92 - 38 - 3923/3.0=7, 3948/3.9=6...(13) HG2 ARG 23 - HA LEU 123 lone 6 73 - 8 - 3923/3.0=1, 3932/3.0=1 Peak 3913 from cnoeabs.peaks (0.88, 3.85, 58.53 ppm; 3.44 A): 1 out of 3 assignments used, quality = 0.92: * QD2 LEU 123 + HA LEU 123 OK 92 100 - 92 - 3.9=67, 2.1/3953=23...(19) QD2 LEU 98 - HA LEU 123 OK 24 73 - 32 - 3924/3.0=6, 3933/3.0=5...(11) QG2 VAL 20 - HA LEU 123 OK 21 81 - 26 - 3924/3.0=5, 3933/3.0=4...(9) Peak 3914 from cnoeabs.peaks (0.93, 3.85, 58.53 ppm; 3.36 A): 3 out of 4 assignments used, quality = 0.95: * QD1 LEU 123 + HA LEU 123 OK 90 100 - 90 - 4.0=57, 2.1/3913=22...(17) QG2 ILE 37 + HA LEU 123 OK 29 73 - 39 - ~10916=7, 3925/3.0=5...(12) QD1 LEU 48 + HA LEU 123 OK 27 96 - 29 - 1531/3.0=6, 3925/3.0=5...(9) QG2 VAL 112 - HA LEU 123 OK 19 96 - 20 - 3934/3.0=3, 3925/3.0=3...(9) Peak 3915 from cnoeabs.peaks (7.95, 3.85, 58.53 ppm; 5.01 A): 1 out of 1 assignment used, quality = 1.00: * H SER 124 + HA LEU 123 OK 100 100 - 100 - 3.6=100 Peak 3916 from cnoeabs.peaks (8.29, 3.85, 58.53 ppm; 4.26 A): 4 out of 5 assignments used, quality = 0.83: * H VAL 126 + HA LEU 123 OK 59 100 - 59 - 7790/3.6=26, 3.7/3917=18...(7) H LEU 43 + HA LEU 123 OK 33 98 - 33 - 6495=6, 4.4/11805=5...(12) H SER 99 + HA LEU 123 OK 29 100 - 29 - 7772/3.6=6, 7381/3.9=6...(9) H GLU 40 + HA LEU 123 OK 11 57 - 19 - 4.0/1248=2, 4.0/1255=2...(8) H LEU 69 - HA LEU 123 lone 3 73 - 4 - 7772/3.6=2 Peak 3917 from cnoeabs.peaks (2.10, 3.85, 58.53 ppm; 4.31 A): 0 out of 4 assignments used, low quality = 0.42: ! HB VAL 126 - HA LEU 123 OK 42 100 - 42 - 4008=22, 3.7/3916=12...(4) HB3 GLN 61 - HA LEU 123 lone 7 96 - 7 - 4.6/6791=5 HG3 GLU 91 - HA LEU 123 lone 6 96 - 6 - 9910/3.0=3 HB2 GLN 61 - HA LEU 123 lone 6 81 - 7 - 4.6/6791=5 Peak 3918 from cnoeabs.peaks (4.42, 1.65, 41.23 ppm; 4.81 A): 3 out of 5 assignments used, quality = 0.98: * HA ASN 120 + HB2 LEU 123 OK 89 100 - 89 - 11564/1.8=48, 11566=35...(14) HA THR 54 + HB2 LEU 123 OK 64 100 - 64 - 9277/3.2=27, 3927/1.8=13...(8) HA VAL 112 + HB2 LEU 123 OK 46 98 - 47 - 3549/3.2=9, 3927/1.8=9...(14) HA MET 11 - HB2 LEU 123 lone 8 99 - 8 - 3927/1.8=2, 11568/3.2=2...(4) HA ASP 71 - HB2 LEU 123 poor 7 65 - 10 - 11569/3.2=3, 11567/3.0=2...(4) Peak 3919 from cnoeabs.peaks (8.26, 1.65, 41.23 ppm; 3.88 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 123 + HB2 LEU 123 OK 99 100 - 99 - 3.9=97, 3928/1.8=24...(15) H GLU 30 + HB2 LEU 123 OK 60 98 - 61 - 3928/1.8=14, 3952/3.2=11...(10) Peak 3920 from cnoeabs.peaks (3.85, 1.65, 41.23 ppm; 4.20 A): 2 out of 6 assignments used, quality = 1.00: * HA LEU 123 + HB2 LEU 123 OK 100 100 - 100 - 3.0=100 HA LEU 62 + HB2 LEU 123 OK 67 99 - 68 - 9383/4.6=14, 1965=11...(16) HB3 SER 33 - HB2 LEU 123 OK 28 96 - 30 - ~10853=9, 3929/1.8=5...(10) HA GLU 40 - HB2 LEU 123 OK 17 87 - 20 - 1239/1.8=2, ~1248=2...(11) HD2 PRO 81 - HB2 LEU 123 OK 13 96 - 13 - 3929/1.8=2, 7762/4.6=2...(6) HB2 SER 50 - HB2 LEU 123 OK 11 57 - 18 - ~10349=3, ~11772=2...(8) Peak 3921 from cnoeabs.peaks (1.65, 1.65, 41.23 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 123 + HB2 LEU 123 OK 100 100 - 100 Peak 3922 from cnoeabs.peaks (1.88, 1.65, 41.23 ppm; 3.55 A): 2 out of 3 assignments used, quality = 0.99: * HB3 LEU 123 + HB2 LEU 123 OK 98 98 - 100 - 1.8=100 HB3 LEU 119 + HB2 LEU 123 OK 59 96 - 62 - 11552/3.9=11...(14) HB3 LYS 36 - HB2 LEU 123 OK 35 73 - 48 - ~10900=8, ~987=5...(17) Peak 3923 from cnoeabs.peaks (1.57, 1.65, 41.23 ppm; 3.55 A): 2 out of 4 assignments used, quality = 1.00: * HG LEU 123 + HB2 LEU 123 OK 100 100 - 100 - 3.0=100 HG13 ILE 37 + HB2 LEU 123 OK 58 87 - 67 - 2.1/11571=18, ~10916=15...(20) HG LEU 49 - HB2 LEU 123 OK 38 92 - 41 - ~11422=7, 3932/1.8=6...(17) HG2 ARG 23 - HB2 LEU 123 lone 6 73 - 8 - 3932/1.8=1 Peak 3924 from cnoeabs.peaks (0.88, 1.65, 41.23 ppm; 3.20 A): 1 out of 3 assignments used, quality = 1.00: * QD2 LEU 123 + HB2 LEU 123 OK 100 100 - 100 - 3.2=100 QD2 LEU 98 - HB2 LEU 123 OK 34 73 - 47 - 3933/1.8=6, 2.1/3186=6...(22) QG2 VAL 20 - HB2 LEU 123 OK 25 81 - 31 - 3933/1.8=5, ~10707=4...(14) Peak 3925 from cnoeabs.peaks (0.93, 1.65, 41.23 ppm; 3.47 A): 1 out of 4 assignments used, quality = 1.00: * QD1 LEU 123 + HB2 LEU 123 OK 100 100 - 100 - 3.2=100 QD1 LEU 48 - HB2 LEU 123 OK 45 96 - 47 - 1531/1.8=8, 3942/3.0=5...(15) QG2 ILE 37 - HB2 LEU 123 OK 44 73 - 60 - 3.0/11571=14, ~10916=10...(22) QG2 VAL 112 - HB2 LEU 123 OK 30 96 - 31 - 3934/1.8=5, 3942/3.0=4...(14) Peak 3926 from cnoeabs.peaks (7.95, 1.65, 41.23 ppm; 4.32 A): 1 out of 1 assignment used, quality = 0.98: * H SER 124 + HB2 LEU 123 OK 98 100 - 98 - 4.6=82, 3935/1.8=37...(12) Peak 3927 from cnoeabs.peaks (4.42, 1.88, 41.23 ppm; 4.69 A): 3 out of 5 assignments used, quality = 0.96: * HA ASN 120 + HB3 LEU 123 OK 83 98 - 85 - 11566/1.8=34, 3814=28...(14) HA THR 54 + HB3 LEU 123 OK 61 97 - 63 - 9277/3.2=26, 3918/1.8=11...(10) HA VAL 112 + HB3 LEU 123 OK 42 94 - 44 - 3549/3.2=9, 3918/1.8=8...(13) HA MET 11 - HB3 LEU 123 lone 7 96 - 7 - 3918/1.8=1, 11568/3.2=1 HA ASP 71 - HB3 LEU 123 poor 6 61 - 10 - 11569/3.2=3, 11567/3.0=2...(4) Peak 3928 from cnoeabs.peaks (8.26, 1.88, 41.23 ppm; 3.90 A): 2 out of 2 assignments used, quality = 0.99: * H LEU 123 + HB3 LEU 123 OK 97 98 - 100 - 3.9=98, 3919/1.8=23...(12) H GLU 30 + HB3 LEU 123 OK 55 94 - 59 - 3919/1.8=14, 3952/3.2=11...(9) Peak 3929 from cnoeabs.peaks (3.85, 1.88, 41.23 ppm; 4.57 A): 2 out of 6 assignments used, quality = 0.99: * HA LEU 123 + HB3 LEU 123 OK 98 98 - 100 - 3.0=100 HA LEU 62 + HB3 LEU 123 OK 61 96 - 63 - 9383/4.6=16, 3920/1.8=12...(13) HB3 SER 33 - HB3 LEU 123 OK 33 91 - 36 - 3.0/10853=16, 3920/1.8=5...(9) HA GLU 40 - HB3 LEU 123 OK 15 82 - 18 - 3920/1.8=3, ~1248=2...(10) HD2 PRO 81 - HB3 LEU 123 OK 14 91 - 15 - 3920/1.8=2, 7762/4.6=2...(7) HB2 SER 50 - HB3 LEU 123 poor 10 53 - 19 - ~10349=4, ~11772=3...(8) Peak 3930 from cnoeabs.peaks (1.65, 1.88, 41.23 ppm; 3.45 A): 1 out of 11 assignments used, quality = 0.98: * HB2 LEU 123 + HB3 LEU 123 OK 98 98 - 100 - 1.8=100 HB2 LEU 98 - HB3 LEU 123 OK 43 96 - 45 - 3165/3.2=6, 3938/3.0=5...(19) HG LEU 62 - HB3 LEU 123 OK 43 96 - 45 - ~10348=7, 3938/3.0=5...(16) HD2 LYS 19 - HB3 LEU 123 OK 18 97 - 18 - 3946/3.2=2, 3938/3.0=2...(8) HD3 LYS 19 - HB3 LEU 123 OK 18 97 - 18 - 3946/3.2=2, 3938/3.0=2...(8) HG LEU 43 - HB3 LEU 123 OK 14 75 - 18 - ~11805=3, 3910/3.0=2...(10) HD3 LYS 26 - HB3 LEU 123 OK 11 68 - 16 - ~10756=5, 3946/3.2=2...(6) HD2 LYS 95 - HB3 LEU 123 lone 3 91 - 4 - HD2 LYS 86 - HB3 LEU 123 lone 2 61 - 3 - HD3 LYS 86 - HB3 LEU 123 lone 2 61 - 3 - HD3 LYS 95 - HB3 LEU 123 lone 2 61 - 3 - Peak 3931 from cnoeabs.peaks (1.88, 1.88, 41.23 ppm; diagonal): 1 out of 1 assignment used, quality = 0.94: * HB3 LEU 123 + HB3 LEU 123 OK 94 94 - 100 Peak 3932 from cnoeabs.peaks (1.57, 1.88, 41.23 ppm; 3.80 A): 2 out of 4 assignments used, quality = 0.99: * HG LEU 123 + HB3 LEU 123 OK 98 98 - 100 - 3.0=100 HG13 ILE 37 + HB3 LEU 123 OK 53 82 - 65 - ~11571=14, 3923/1.8=12...(20) HG LEU 49 - HB3 LEU 123 OK 34 87 - 39 - ~11422=8, 3923/1.8=8...(11) HG2 ARG 23 - HB3 LEU 123 lone 6 68 - 8 - 3923/1.8=1, 1.8/3784=1 Peak 3933 from cnoeabs.peaks (0.88, 1.88, 41.23 ppm; 3.25 A): 1 out of 3 assignments used, quality = 0.98: * QD2 LEU 123 + HB3 LEU 123 OK 98 98 - 100 - 3.2=100 QD2 LEU 98 - HB3 LEU 123 OK 26 68 - 38 - 3924/1.8=8, 3941/3.0=4...(18) QG2 VAL 20 - HB3 LEU 123 OK 20 75 - 26 - 3924/1.8=6, 3941/3.0=4...(11) Peak 3934 from cnoeabs.peaks (0.93, 1.88, 41.23 ppm; 3.16 A): 1 out of 4 assignments used, quality = 0.97: * QD1 LEU 123 + HB3 LEU 123 OK 97 98 - 99 - 3.2=98, 3954/1.8=16...(11) QG2 ILE 37 - HB3 LEU 123 OK 32 68 - 46 - ~11571=7, 3925/1.8=6...(22) QD1 LEU 48 - HB3 LEU 123 OK 28 91 - 31 - 3925/1.8=6, 3942/3.0=5...(12) QG2 VAL 112 - HB3 LEU 123 OK 22 91 - 24 - 3925/1.8=4, 3942/3.0=3...(13) Peak 3935 from cnoeabs.peaks (7.95, 1.88, 41.23 ppm; 4.49 A): 1 out of 1 assignment used, quality = 0.97: * H SER 124 + HB3 LEU 123 OK 97 98 - 99 - 4.6=93, 3926/1.8=41...(12) Peak 3936 from cnoeabs.peaks (8.26, 1.57, 26.72 ppm; 3.96 A): 2 out of 2 assignments used, quality = 0.97: * H LEU 123 + HG LEU 123 OK 93 100 - 93 - 4.6=63, 3952/2.1=25...(12) H GLU 30 + HG LEU 123 OK 56 98 - 57 - 3952/2.1=14, 3944/2.1=14...(8) Peak 3937 from cnoeabs.peaks (3.85, 1.57, 26.72 ppm; 4.35 A): 2 out of 6 assignments used, quality = 1.00: * HA LEU 123 + HG LEU 123 OK 100 100 - 100 - 3.7=100 HA LEU 62 + HG LEU 123 OK 51 99 - 51 - 3945/2.1=11, 3953/2.1=10...(12) HB3 SER 33 - HG LEU 123 OK 24 96 - 25 - ~10853=7, 3945/2.1=4...(6) HB2 SER 50 - HG LEU 123 OK 13 57 - 23 - 3.9/6620=5, ~10349=5...(7) HA GLU 40 - HG LEU 123 OK 10 87 - 12 - 3920/3.0=2, 3953/2.1=2...(5) HD2 PRO 81 - HG LEU 123 OK 10 96 - 10 - 3953/2.1=2, 3920/3.0=2...(5) Peak 3938 from cnoeabs.peaks (1.65, 1.57, 26.72 ppm; 2.50 A): 3 out of 11 assignments used, quality = 0.84: * HB2 LEU 123 + HG LEU 123 OK 74 100 - 74 - 3.0=57, 3954/2.1=9...(11) HB2 LEU 98 + HG LEU 123 OK 23 99 - 23 - 3165/2.1=4, 3954/2.1=3...(8) HG LEU 62 + HG LEU 123 OK 20 99 - 21 - ~10348=4, 3954/2.1=3...(8) HD3 LYS 19 - HG LEU 123 lone 9 100 - 9 - 3946/2.1=1, 3954/2.1=1 HD2 LYS 19 - HG LEU 123 lone 9 100 - 9 - 3946/2.1=1, 3954/2.1=1 HD3 LYS 26 - HG LEU 123 lone 7 73 - 9 - ~10756=3, 3946/2.1=1...(4) HG LEU 43 - HG LEU 123 lone 4 81 - 5 - HD2 LYS 95 - HG LEU 123 lone 2 96 - 2 - HD2 LYS 86 - HG LEU 123 lone 1 65 - 1 - HD3 LYS 86 - HG LEU 123 lone 1 65 - 1 - HD3 LYS 95 - HG LEU 123 lone 1 65 - 1 - Peak 3939 from cnoeabs.peaks (1.88, 1.57, 26.72 ppm; 3.68 A): 2 out of 3 assignments used, quality = 0.99: * HB3 LEU 123 + HG LEU 123 OK 98 98 - 100 - 3.0=100 HB3 LEU 119 + HG LEU 123 OK 56 96 - 59 - 3947/2.1=11...(13) HB3 LYS 36 - HG LEU 123 OK 37 73 - 51 - ~10900=12, ~10901=7...(14) Peak 3940 from cnoeabs.peaks (1.57, 1.57, 26.72 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 123 + HG LEU 123 OK 100 100 - 100 Peak 3941 from cnoeabs.peaks (0.88, 1.57, 26.72 ppm; 2.97 A): 1 out of 3 assignments used, quality = 1.00: * QD2 LEU 123 + HG LEU 123 OK 100 100 - 100 - 2.1=100 QD2 LEU 98 - HG LEU 123 OK 24 73 - 32 - 3924/3.0=5, 3957/2.1=5...(15) QG2 VAL 20 - HG LEU 123 OK 22 81 - 27 - 3957/2.1=4, 3.2/10708=4...(12) Peak 3942 from cnoeabs.peaks (0.93, 1.57, 26.72 ppm; 2.94 A): 1 out of 4 assignments used, quality = 1.00: * QD1 LEU 123 + HG LEU 123 OK 100 100 - 100 - 2.1=100 QG2 ILE 37 - HG LEU 123 OK 35 73 - 48 - 3950/2.1=5, ~10916=5...(23) QD1 LEU 48 - HG LEU 123 OK 33 96 - 34 - 3950/2.1=5, 2.1/9205=5...(14) QG2 VAL 112 - HG LEU 123 OK 21 96 - 22 - 3950/2.1=3, 3934/3.0=3...(11) Peak 3943 from cnoeabs.peaks (7.95, 1.57, 26.72 ppm; 4.65 A): 1 out of 1 assignment used, quality = 0.94: * H SER 124 + HG LEU 123 OK 94 100 - 94 - 3959/2.1=39, 3926/3.0=35...(12) Peak 3944 from cnoeabs.peaks (8.26, 0.88, 25.36 ppm; 4.10 A): 2 out of 2 assignments used, quality = 0.98: * H LEU 123 + QD2 LEU 123 OK 94 100 - 94 - 4.8=63, 3952/2.1=26...(12) H GLU 30 + QD2 LEU 123 OK 65 98 - 67 - 3952/2.1=15, 7752=14...(10) Peak 3945 from cnoeabs.peaks (3.85, 0.88, 25.36 ppm; 3.82 A): 2 out of 6 assignments used, quality = 0.99: * HA LEU 123 + QD2 LEU 123 OK 99 100 - 99 - 3.9=92, 3953/2.1=26...(21) HA LEU 62 + QD2 LEU 123 OK 50 99 - 51 - 3.9/10348=13, 3953/2.1=9...(13) HB3 SER 33 - QD2 LEU 123 OK 21 96 - 22 - ~10853=5, 3953/2.1=4...(8) HB2 SER 50 - QD2 LEU 123 poor 10 57 - 17 - 3.0/10349=7, ~11772=3...(5) HA GLU 40 - QD2 LEU 123 lone 9 87 - 10 - 3953/2.1=2, 3920/3.2=2...(4) HD2 PRO 81 - QD2 LEU 123 lone 8 96 - 8 - 3953/2.1=2, 3937/2.1=1...(4) Peak 3946 from cnoeabs.peaks (1.65, 0.88, 25.36 ppm; 3.24 A): 1 out of 11 assignments used, quality = 1.00: * HB2 LEU 123 + QD2 LEU 123 OK 100 100 - 100 - 3.2=100 HB2 LEU 98 - QD2 LEU 123 OK 44 99 - 45 - 3165=6, 3938/2.1=6...(20) HG LEU 62 - QD2 LEU 123 OK 41 99 - 41 - 2.1/10348=13, 3938/2.1=6...(13) HD3 LYS 26 - QD2 LEU 123 OK 21 73 - 29 - 2.9/10756=12...(6) HD2 LYS 19 - QD2 LEU 123 OK 21 100 - 21 - 3.9/10701=5, 3938/2.1=2...(8) HD3 LYS 19 - QD2 LEU 123 OK 21 100 - 21 - 3.9/10701=5, 3938/2.1=2...(8) HG LEU 43 - QD2 LEU 123 poor 8 81 - 10 - 3910/3.9=1, 3930/3.2=1...(5) HD2 LYS 95 - QD2 LEU 123 lone 3 96 - 4 - HD2 LYS 86 - QD2 LEU 123 lone 2 65 - 3 - HD3 LYS 86 - QD2 LEU 123 lone 2 65 - 3 - HD3 LYS 95 - QD2 LEU 123 lone 2 65 - 3 - Peak 3947 from cnoeabs.peaks (1.88, 0.88, 25.36 ppm; 3.31 A): 2 out of 3 assignments used, quality = 0.99: * HB3 LEU 123 + QD2 LEU 123 OK 98 98 - 100 - 3.2=100 HB3 LEU 119 + QD2 LEU 123 OK 52 96 - 54 - 3.1/11422=11, 3955/2.1=9...(13) HB3 LYS 36 - QD2 LEU 123 OK 31 73 - 42 - 3.0/10900=15, 3955/2.1=6...(10) Peak 3948 from cnoeabs.peaks (1.57, 0.88, 25.36 ppm; 3.11 A): 1 out of 4 assignments used, quality = 1.00: * HG LEU 123 + QD2 LEU 123 OK 100 100 - 100 - 2.1=100 HG13 ILE 37 - QD2 LEU 123 OK 44 87 - 51 - 3956/2.1=8, ~10916=8...(18) HG LEU 49 - QD2 LEU 123 OK 36 92 - 39 - 2.1/11422=17, 3956/2.1=5...(10) HG2 ARG 23 - QD2 LEU 123 lone 6 73 - 8 - 1576/11422=1 Peak 3949 from cnoeabs.peaks (0.88, 0.88, 25.36 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 123 + QD2 LEU 123 OK 100 100 - 100 Peak 3950 from cnoeabs.peaks (0.93, 0.88, 25.36 ppm; 2.50 A): 1 out of 4 assignments used, quality = 1.00: * QD1 LEU 123 + QD2 LEU 123 OK 100 100 - 100 - 2.1=100 QD1 LEU 48 - QD2 LEU 123 OK 23 96 - 24 - 3942/2.1=4, ~9205=3...(10) QG2 ILE 37 - QD2 LEU 123 OK 22 73 - 30 - 3942/2.1=4, 3.2/3948=3...(17) QG2 VAL 112 - QD2 LEU 123 OK 14 96 - 15 - 3942/2.1=2, 3934/3.2=2...(8) Peak 3951 from cnoeabs.peaks (7.95, 0.88, 25.36 ppm; 5.00 A): 1 out of 1 assignment used, quality = 0.98: * H SER 124 + QD2 LEU 123 OK 98 100 - 98 - 3959/2.1=43, 3943/2.1=42...(16) Peak 3952 from cnoeabs.peaks (8.26, 0.93, 23.65 ppm; 3.63 A): 2 out of 2 assignments used, quality = 0.93: * H LEU 123 + QD1 LEU 123 OK 87 100 - 87 - 4.7=47, 2.9/3953=20...(11) H GLU 30 + QD1 LEU 123 OK 50 98 - 51 - 3944/2.1=12, 3936/2.1=11...(8) Peak 3953 from cnoeabs.peaks (3.85, 0.93, 23.65 ppm; 3.06 A): 3 out of 6 assignments used, quality = 0.89: * HA LEU 123 + QD1 LEU 123 OK 82 100 - 82 - 4.0=43, 3913/2.1=18...(16) HA LEU 62 + QD1 LEU 123 OK 28 99 - 28 - 3945/2.1=6, 3920/3.2=4...(12) HB3 SER 33 + QD1 LEU 123 OK 11 96 - 12 - ~10853=3, 3945/2.1=2...(5) HB2 SER 50 - QD1 LEU 123 poor 6 57 - 10 - 3.0/11772=4, ~10349=2...(4) HA GLU 40 - QD1 LEU 123 lone 6 87 - 7 - 3920/3.2=1 HD2 PRO 81 - QD1 LEU 123 lone 5 96 - 5 - Peak 3954 from cnoeabs.peaks (1.65, 0.93, 23.65 ppm; 3.06 A): 1 out of 11 assignments used, quality = 0.96: * HB2 LEU 123 + QD1 LEU 123 OK 96 100 - 96 - 3.2=89, 1.8/3955=20...(13) HB2 LEU 98 - QD1 LEU 123 OK 36 99 - 37 - 3165/2.1=7, 3938/2.1=6...(17) HG LEU 62 - QD1 LEU 123 OK 31 99 - 32 - ~10348=7, 3938/2.1=5...(12) HD3 LYS 19 - QD1 LEU 123 OK 15 100 - 15 - 2.9/10705=3, 3946/2.1=2...(6) HD2 LYS 19 - QD1 LEU 123 OK 15 100 - 15 - 2.9/10705=3, 3946/2.1=2...(6) HD3 LYS 26 - QD1 LEU 123 OK 13 73 - 18 - ~10756=6, ~10703=2...(7) HG LEU 43 - QD1 LEU 123 lone 7 81 - 8 - 3910/4.0=1, 3930/3.2=1 HD2 LYS 95 - QD1 LEU 123 lone 3 96 - 3 - HD2 LYS 86 - QD1 LEU 123 lone 2 65 - 3 - HD3 LYS 86 - QD1 LEU 123 lone 2 65 - 3 - HD3 LYS 95 - QD1 LEU 123 lone 1 65 - 2 - Peak 3955 from cnoeabs.peaks (1.88, 0.93, 23.65 ppm; 3.07 A): 2 out of 3 assignments used, quality = 0.96: * HB3 LEU 123 + QD1 LEU 123 OK 94 98 - 96 - 3.2=90, 1.8/3954=15...(11) HB3 LEU 119 + QD1 LEU 123 OK 41 96 - 43 - 3947/2.1=8, 3939/2.1=7...(12) HB3 LYS 36 - QD1 LEU 123 OK 27 73 - 37 - ~10900=8, 3947/2.1=5...(13) Peak 3956 from cnoeabs.peaks (1.57, 0.93, 23.65 ppm; 2.81 A): 1 out of 4 assignments used, quality = 1.00: * HG LEU 123 + QD1 LEU 123 OK 100 100 - 100 - 2.1=100 HG13 ILE 37 - QD1 LEU 123 OK 40 87 - 46 - 3948/2.1=6, ~10916=6...(18) HG LEU 49 - QD1 LEU 123 OK 26 92 - 28 - ~11422=6, 3948/2.1=5...(10) HG2 ARG 23 - QD1 LEU 123 lone 4 73 - 5 - Peak 3957 from cnoeabs.peaks (0.88, 0.93, 23.65 ppm; 2.50 A): 1 out of 3 assignments used, quality = 1.00: * QD2 LEU 123 + QD1 LEU 123 OK 100 100 - 100 - 2.1=100 QD2 LEU 98 - QD1 LEU 123 OK 17 73 - 23 - 3941/2.1=3, 3924/3.2=3...(10) QG2 VAL 20 - QD1 LEU 123 OK 15 81 - 19 - 3.2/11772=4, 3941/2.1=3...(9) Peak 3958 from cnoeabs.peaks (0.93, 0.93, 23.65 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 123 + QD1 LEU 123 OK 100 100 - 100 Peak 3959 from cnoeabs.peaks (7.95, 0.93, 23.65 ppm; 4.51 A): 1 out of 1 assignment used, quality = 0.96: * H SER 124 + QD1 LEU 123 OK 96 100 - 96 - 3943/2.1=35, 3926/3.2=32...(15) Peak 3960 from cnoeabs.peaks (7.95, 4.24, 61.64 ppm; 3.73 A): 1 out of 1 assignment used, quality = 1.00: * H SER 124 + HA SER 124 OK 100 100 - 100 - 2.9=100 Peak 3961 from cnoeabs.peaks (4.24, 4.24, 61.64 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 124 + HA SER 124 OK 100 100 - 100 Peak 3962 from cnoeabs.peaks (4.00, 4.24, 61.64 ppm; 3.18 A): 1 out of 5 assignments used, quality = 1.00: * HB2 SER 124 + HA SER 124 OK 100 100 - 100 - 3.0=100 HA SER 50 - HA SER 124 OK 27 100 - 27 - 3970=8, 3969/2.9=6...(7) HA VAL 20 - HA SER 124 OK 13 92 - 14 - 7769/2.9=3, 3.2/11587=3...(5) HA GLN 68 - HA SER 124 OK 12 99 - 12 - 3.0/3967=2, 3.7/3967=2...(5) HB3 SER 99 - HA SER 124 lone 2 57 - 4 - 11589/4.9=1 Peak 3963 from cnoeabs.peaks (4.03, 4.24, 61.64 ppm; 3.31 A): 1 out of 5 assignments used, quality = 1.00: * HB3 SER 124 + HA SER 124 OK 100 100 - 100 - 3.0=100 HA LEU 119 - HA SER 124 OK 26 96 - 28 - 7770/2.9=8, ~11551=7...(8) HD3 PRO 81 - HA SER 124 poor 9 73 - 12 - 2.3/3966=2, ~1595=1...(5) HA ILE 37 - HA SER 124 lone 4 65 - 7 - 7770/2.9=2, 3.2/9004=1, ~7767=1 HA LYS 95 - HA SER 124 lone 1 57 - 2 - Peak 3964 from cnoeabs.peaks (8.04, 4.24, 61.64 ppm; 4.28 A): 1 out of 5 assignments used, quality = 1.00: * H CYS 125 + HA SER 124 OK 100 100 - 100 - 3.6=100 H LEU 48 - HA SER 124 OK 19 99 - 19 - 3979/3.0=8, 7771/2.9=6...(4) H CYS 79 - HA SER 124 OK 11 100 - 11 - 3980/4.9=3, 7771/2.9=2...(5) H TYR 76 - HA SER 124 lone 9 100 - 9 - 7771/2.9=2, 3979/3.0=2...(4) H SER 130 - HA SER 124 poor 8 73 - 11 - 7805/3965=3, 3980/4.9=3...(4) Peak 3965 from cnoeabs.peaks (8.20, 4.24, 61.64 ppm; 4.38 A): 2 out of 2 assignments used, quality = 0.75: * H GLN 127 + HA SER 124 OK 68 100 - 68 - 7786/3.6=26, 3.2/7838=14...(9) H VAL 63 + HA SER 124 OK 21 96 - 22 - 4.5/3966=5, 7786/3.6=5...(8) Peak 3966 from cnoeabs.peaks (2.06, 4.24, 61.64 ppm; 4.21 A): 4 out of 8 assignments used, quality = 0.82: * HB2 GLN 127 + HA SER 124 OK 59 100 - 59 - 4.0/3965=18, 1.8/3967=18...(8) HB2 LEU 62 + HA SER 124 OK 33 100 - 33 - ~9383=11, 4.5/3965=5...(11) HB3 GLN 27 + HA SER 124 OK 21 96 - 21 - 711=3, 1.8/702=3...(11) HG3 PRO 81 + HA SER 124 OK 17 92 - 18 - 2.3/3963=3, ~1595=3...(8) HB VAL 118 - HA SER 124 lone 9 100 - 9 - ~11537=3, ~10270=2, 9127/11588=1 HG2 PRO 117 - HA SER 124 lone 4 98 - 4 - HG3 PRO 117 - HA SER 124 lone 3 87 - 4 - HG3 PRO 113 - HA SER 124 lone 2 96 - 2 - Peak 3967 from cnoeabs.peaks (2.23, 4.24, 61.64 ppm; 3.65 A): 5 out of 8 assignments used, quality = 0.77: * HB3 GLN 127 + HA SER 124 OK 51 100 - 51 - 4.0/3965=14, 1.8/3966=12...(8) HB3 GLU 128 + HA SER 124 OK 27 100 - 27 - 4095/4.9=9, 3.6/7838=9...(5) HG2 GLN 68 + HA SER 124 OK 15 92 - 16 - 2151/3.0=3, ~2160=2...(7) HB3 GLU 102 + HA SER 124 OK 14 98 - 14 - ~10374=4, 3987/4.9=3...(4) HB2 GLN 68 + HA SER 124 OK 13 81 - 16 - 2132/3.0=3, 3.0/3962=2...(6) HB3 GLN 104 - HA SER 124 lone 3 96 - 3 - HG2 GLU 91 - HA SER 124 lone 2 100 - 2 - HB3 LEU 96 - HA SER 124 lone 1 57 - 2 - Peak 3968 from cnoeabs.peaks (4.49, 4.00, 62.56 ppm; 4.23 A): 2 out of 2 assignments used, quality = 0.80: * HA ASN 121 + HB2 SER 124 OK 77 100 - 77 - 3974/1.8=39, 3837=36...(6) HA ASN 121 + HA SER 50 OK 12 94 - 13 - 3837=6, 7758/3969=3...(4) Peak 3969 from cnoeabs.peaks (7.95, 4.00, 62.56 ppm; 3.50 A): 2 out of 2 assignments used, quality = 0.91: * H SER 124 + HB2 SER 124 OK 88 100 - 88 - 4.0=69, 3975/1.8=36...(9) H SER 124 + HA SER 50 OK 28 94 - 29 - 7769=10, 2.9/3962=5...(10) Peak 3970 from cnoeabs.peaks (4.24, 4.00, 62.56 ppm; 3.26 A): 1 out of 10 assignments used, quality = 1.00: * HA SER 124 + HB2 SER 124 OK 100 100 - 100 - 3.0=100 HA SER 124 - HA SER 50 OK 27 94 - 29 - 3962=9, 2.9/3969=6...(8) HA GLN 27 - HB2 SER 124 poor 10 98 - 10 - 3976/1.8=3...(5) HA ALA 28 - HB2 SER 124 lone 4 98 - 4 - 3976/1.8=1 HA ARG 84 - HB2 SER 124 lone 3 81 - 4 - HA SER 94 - HA SER 50 lone 3 64 - 5 - 2930/3.6=1 HA SER 94 - HB2 SER 124 lone 3 73 - 4 - HA ALA 28 - HA SER 50 lone 2 90 - 2 - HA GLN 27 - HA SER 50 lone 1 90 - 2 - HA ARG 84 - HA SER 50 lone 1 71 - 1 - Peak 3971 from cnoeabs.peaks (4.00, 4.00, 62.56 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 SER 124 + HB2 SER 124 OK 100 100 - 100 HA SER 50 + HA SER 50 OK 94 94 - 100 Peak 3972 from cnoeabs.peaks (4.03, 4.00, 62.56 ppm; 2.50 A): 1 out of 10 assignments used, quality = 1.00: * HB3 SER 124 + HB2 SER 124 OK 100 100 - 100 - 1.8=100 HB3 SER 124 - HA SER 50 OK 18 94 - 19 - 3977=7, 3.0/3962=3...(5) HA LEU 119 - HB2 SER 124 OK 11 96 - 12 - 7770/4.0=3, 3963/3.0=3...(5) HD3 PRO 81 - HB2 SER 124 lone 5 73 - 7 - 2.3/1595=1 HA ILE 37 - HA SER 50 lone 3 57 - 5 - ~11698=3, 3.6/1592=1, 1079/3.6=1 HD3 PRO 81 - HA SER 50 lone 3 64 - 4 - ~11896=2, 2.3/1595=1 HA ILE 37 - HB2 SER 124 lone 2 65 - 3 - HA LEU 119 - HA SER 50 lone 2 87 - 2 - HA LYS 95 - HB2 SER 124 lone 1 57 - 1 - HA LYS 95 - HA SER 50 lone 0 50 - 0 - Peak 3973 from cnoeabs.peaks (8.04, 4.00, 62.56 ppm; 3.23 A): 4 out of 10 assignments used, quality = 0.83: * H CYS 125 + HB2 SER 124 OK 68 100 - 68 - 4.5=37, 7781/1.8=20...(7) H LEU 48 + HA SER 50 OK 22 93 - 24 - 6614/2.9=11, 6578/3.0=3...(5) H CYS 125 + HA SER 50 OK 22 94 - 24 - 7780=7, 3.4/3969=5...(6) H LEU 48 + HB2 SER 124 OK 15 99 - 15 - 3979/1.8=6, 7771/4.0=3...(5) H CYS 79 - HA SER 50 lone 5 94 - 5 - 6614/2.9=2, 7063/4.8=1 H TYR 76 - HB2 SER 124 lone 5 100 - 5 - 3979/1.8=2, 3964/3.0=1 H CYS 79 - HB2 SER 124 lone 5 100 - 5 - 3979/1.8=2, 3964/3.0=1 H TYR 76 - HA SER 50 lone 2 94 - 2 - 6614/2.9=1 H SER 130 - HB2 SER 124 lone 2 73 - 3 - H SER 130 - HA SER 50 lone 1 64 - 1 - Peak 3974 from cnoeabs.peaks (4.49, 4.03, 62.56 ppm; 4.14 A): 1 out of 1 assignment used, quality = 0.74: * HA ASN 121 + HB3 SER 124 OK 74 100 - 74 - 3968/1.8=32, 3838=30...(7) Peak 3975 from cnoeabs.peaks (7.95, 4.03, 62.56 ppm; 3.52 A): 1 out of 1 assignment used, quality = 0.87: * H SER 124 + HB3 SER 124 OK 87 100 - 87 - 4.0=70, 3969/1.8=28...(9) Peak 3976 from cnoeabs.peaks (4.24, 4.03, 62.56 ppm; 3.33 A): 1 out of 5 assignments used, quality = 1.00: * HA SER 124 + HB3 SER 124 OK 100 100 - 100 - 3.0=100 HA GLN 27 - HB3 SER 124 lone 10 98 - 10 - 3970/1.8=2, 7768/4.0=2...(5) HA ALA 28 - HB3 SER 124 lone 4 98 - 4 - HA ARG 84 - HB3 SER 124 lone 3 81 - 4 - HA SER 94 - HB3 SER 124 lone 2 73 - 3 - Peak 3977 from cnoeabs.peaks (4.00, 4.03, 62.56 ppm; 2.50 A): 1 out of 5 assignments used, quality = 1.00: * HB2 SER 124 + HB3 SER 124 OK 100 100 - 100 - 1.8=100 HA SER 50 - HB3 SER 124 OK 18 100 - 18 - 3972=6, 3962/3.0=3...(5) HA VAL 20 - HB3 SER 124 lone 7 92 - 8 - 7769/4.0=1, 3962/3.0=1 HA GLN 68 - HB3 SER 124 lone 6 99 - 6 - 3962/3.0=1 HB3 SER 99 - HB3 SER 124 lone 1 57 - 1 - Peak 3978 from cnoeabs.peaks (4.03, 4.03, 62.56 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 124 + HB3 SER 124 OK 100 100 - 100 Peak 3979 from cnoeabs.peaks (8.04, 4.03, 62.56 ppm; 3.82 A): 2 out of 5 assignments used, quality = 0.91: * H CYS 125 + HB3 SER 124 OK 86 100 - 86 - 4.5=61, 3.4/3975=29...(9) H LEU 48 + HB3 SER 124 OK 32 99 - 32 - 3.9/10958=15...(6) H TYR 76 - HB3 SER 124 lone 8 100 - 8 - 3964/3.0=2, 3973/1.8=1...(4) H CYS 79 - HB3 SER 124 lone 8 100 - 7 - 3964/3.0=2, 3973/1.8=1...(4) H SER 130 - HB3 SER 124 lone 2 73 - 3 - 3964/3.0=1 Peak 3980 from cnoeabs.peaks (8.04, 4.35, 62.64 ppm; 3.89 A): 1 out of 5 assignments used, quality = 1.00: * H CYS 125 + HA CYS 125 OK 100 100 - 100 - 2.9=100 H CYS 79 - HA CYS 125 OK 21 100 - 21 - 7062/3.0=6, 4.3/3982=4...(6) H SER 130 - HA CYS 125 OK 20 73 - 28 - 7877/5.0=9, 3.6/7858=6...(7) H TYR 76 - HA CYS 125 OK 15 100 - 14 - 3989/3.0=3, 3995/3.0=2...(6) H LEU 48 - HA CYS 125 lone 9 99 - 9 - 3964/4.9=2, ~1483=2...(5) Peak 3981 from cnoeabs.peaks (4.35, 4.35, 62.64 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA CYS 125 + HA CYS 125 OK 100 100 - 100 Peak 3982 from cnoeabs.peaks (2.74, 4.35, 62.64 ppm; 3.92 A): 1 out of 2 assignments used, quality = 1.00: * HB2 CYS 125 + HA CYS 125 OK 100 100 - 100 - 3.0=100 HB3 ASP 78 - HA CYS 125 OK 26 99 - 26 - 7783/2.9=6, 3997/3.0=5...(9) Peak 3983 from cnoeabs.peaks (3.21, 4.35, 62.64 ppm; 4.07 A): 1 out of 4 assignments used, quality = 1.00: * HB3 CYS 125 + HA CYS 125 OK 100 100 - 100 - 3.0=100 HD3 ARG 84 - HA CYS 125 poor 9 73 - 12 - 3.0/11591=2, 3.0/11591=2...(6) HD2 ARG 84 - HA CYS 125 poor 9 73 - 12 - 3.0/11591=2, 3.0/11591=2...(6) HB3 HIS 8 - HA CYS 125 lone 4 92 - 4 - Peak 3984 from cnoeabs.peaks (8.29, 4.35, 62.64 ppm; 4.26 A): 1 out of 5 assignments used, quality = 1.00: * H VAL 126 + HA CYS 125 OK 100 100 - 100 - 3.6=100 H LEU 43 - HA CYS 125 OK 25 98 - 26 - 4.6/11591=5, 3993/3.0=4...(9) H SER 99 - HA CYS 125 OK 25 100 - 25 - 3.7/11589=7, 7785/2.9=5...(6) H LEU 69 - HA CYS 125 poor 8 73 - 11 - 7785/2.9=2, 4000/5.0=2...(4) H GLU 40 - HA CYS 125 poor 6 57 - 11 - 4.6/3985=4, 4000/5.0=1 Peak 3985 from cnoeabs.peaks (7.88, 4.35, 62.64 ppm; 4.54 A): 2 out of 2 assignments used, quality = 0.94: * H GLU 128 + HA CYS 125 OK 92 100 - 92 - 7839=39, 2.9/11590=25...(15) H ALA 41 + HA CYS 125 OK 20 87 - 23 - 7801/3.6=8, 11598/5.0=5...(6) Peak 3986 from cnoeabs.peaks (2.08, 4.35, 62.64 ppm; 4.02 A): 4 out of 7 assignments used, quality = 0.95: * HB2 GLU 128 + HA CYS 125 OK 76 100 - 76 - 4087=26, 1.8/4095=21...(8) HG3 GLN 134 + HA CYS 125 OK 59 100 - 59 - 4296=17, 1.8/4287=12...(9) HB2 GLU 102 + HA CYS 125 OK 39 100 - 40 - 1.8/3987=7, 3.0/11594=7...(14) HB3 GLU 44 + HA CYS 125 OK 13 98 - 13 - 10360/2.9=2, ~7775=2...(5) HB3 LYS 39 - HA CYS 125 lone 9 99 - 9 - 10360/2.9=1 HG3 PRO 58 - HA CYS 125 lone 3 65 - 5 - 2.3/11593=1, 2.3/11592=1 HB VAL 57 - HA CYS 125 lone 2 65 - 4 - Peak 3987 from cnoeabs.peaks (2.22, 4.35, 62.64 ppm; 4.06 A): 4 out of 8 assignments used, quality = 0.92: * HB3 GLU 128 + HA CYS 125 OK 77 100 - 77 - 4095=24, 1.8/4087=22...(11) HB3 GLN 127 + HA CYS 125 OK 38 100 - 38 - 4.7/7839=16, 3967/4.9=8...(7) HB3 GLU 102 + HA CYS 125 OK 38 96 - 40 - 3.0/11594=8, 1.8/3986=7...(13) HB2 GLN 68 + HA CYS 125 OK 11 87 - 12 - 10359/2.9=3, 3967/4.9=2...(5) HG2 GLN 68 - HA CYS 125 poor 10 87 - 11 - 3967/4.9=2, 9481/7965=2...(5) HB3 GLN 104 - HA CYS 125 lone 7 98 - 7 - 4091/4087=1, 4113/11593=1 HB3 GLU 97 - HA CYS 125 lone 4 65 - 5 - 2.9/11593=2 HG2 GLU 91 - HA CYS 125 lone 3 99 - 3 - Peak 3988 from cnoeabs.peaks (4.05, 2.74, 27.12 ppm; 4.22 A): 5 out of 5 assignments used, quality = 0.84: * HA LEU 122 + HB2 CYS 125 OK 59 100 - 60 - 3864=34, 3865/1.8=23...(5) HA GLU 102 + HB2 CYS 125 OK 31 100 - 31 - 3864=11, 3865/1.8=8...(6) HA LEU 96 + HB2 CYS 125 OK 21 73 - 28 - 4.0/10382=14, 3994/1.8=9...(5) HA ALA 92 + HB2 CYS 125 OK 20 99 - 20 - 9927/1.8=11, 7775/3.9=4 HA GLU 44 + HB2 CYS 125 OK 10 100 - 10 - 7775/3.9=3, 3994/1.8=3 Peak 3989 from cnoeabs.peaks (8.04, 2.74, 27.12 ppm; 4.14 A): 1 out of 5 assignments used, quality = 1.00: * H CYS 125 + HB2 CYS 125 OK 100 100 - 100 - 3.9=100 H CYS 79 - HB2 CYS 125 OK 31 100 - 30 - 7062=10, 3995/1.8=5...(7) H TYR 76 - HB2 CYS 125 OK 16 100 - 15 - 3980/3.0=3, 3995/1.8=3...(7) H SER 130 - HB2 CYS 125 poor 10 73 - 14 - 3980/3.0=4, 7792/4.7=3 H LEU 48 - HB2 CYS 125 lone 8 99 - 8 - 3995/1.8=2, 3980/3.0=2...(4) Peak 3990 from cnoeabs.peaks (4.35, 2.74, 27.12 ppm; 4.02 A): 1 out of 2 assignments used, quality = 1.00: * HA CYS 125 + HB2 CYS 125 OK 100 100 - 100 - 3.0=100 HA GLN 134 - HB2 CYS 125 OK 31 99 - 31 - 3996/1.8=8, 7782/3.9=6...(7) Peak 3991 from cnoeabs.peaks (2.74, 2.74, 27.12 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 CYS 125 + HB2 CYS 125 OK 100 100 - 100 Peak 3992 from cnoeabs.peaks (3.21, 2.74, 27.12 ppm; 3.29 A): 1 out of 4 assignments used, quality = 1.00: * HB3 CYS 125 + HB2 CYS 125 OK 100 100 - 100 - 1.8=100 HD3 ARG 84 - HB2 CYS 125 lone 4 73 - 5 - 3983/3.0=1 HD2 ARG 84 - HB2 CYS 125 lone 4 73 - 5 - 3983/3.0=1 HB3 HIS 8 - HB2 CYS 125 lone 2 92 - 2 - Peak 3993 from cnoeabs.peaks (8.29, 2.74, 27.12 ppm; 4.67 A): 1 out of 5 assignments used, quality = 1.00: * H VAL 126 + HB2 CYS 125 OK 100 100 - 100 - 4.7=100 H LEU 43 - HB2 CYS 125 OK 24 98 - 24 - 3984/3.0=5, 3999/1.8=5...(6) H SER 99 - HB2 CYS 125 OK 19 100 - 19 - 3984/3.0=5, 3999/1.8=5 H LEU 69 - HB2 CYS 125 lone 5 73 - 7 - 7785/3.9=2, 3984/3.0=2 H GLU 40 - HB2 CYS 125 lone 3 57 - 5 - 3984/3.0=1 Peak 3994 from cnoeabs.peaks (4.05, 3.21, 27.12 ppm; 4.13 A): 4 out of 5 assignments used, quality = 0.82: * HA LEU 122 + HB3 CYS 125 OK 54 100 - 54 - 3864/1.8=25, 3865=25...(4) HA LEU 96 + HB3 CYS 125 OK 32 73 - 43 - 4.0/10387=21...(5) HA GLU 102 + HB3 CYS 125 OK 29 100 - 29 - 3865=8, 3864/1.8=8...(6) HA ALA 92 + HB3 CYS 125 OK 21 99 - 21 - 9927=8, 3988/1.8=5...(4) HA GLU 44 - HB3 CYS 125 lone 10 100 - 10 - 7775/3.9=3, 3988/1.8=3 Peak 3995 from cnoeabs.peaks (8.04, 3.21, 27.12 ppm; 4.00 A): 1 out of 5 assignments used, quality = 1.00: * H CYS 125 + HB3 CYS 125 OK 100 100 - 100 - 3.9=100 H CYS 79 - HB3 CYS 125 OK 17 100 - 17 - 7062/1.8=8, 3980/3.0=4...(4) H TYR 76 - HB3 CYS 125 lone 10 100 - 10 - 3989/1.8=3, 3980/3.0=3 H LEU 48 - HB3 CYS 125 lone 7 99 - 7 - 3989/1.8=2, 3980/3.0=2...(4) H SER 130 - HB3 CYS 125 lone 7 73 - 9 - 3980/3.0=4, 7792/4.7=3 Peak 3996 from cnoeabs.peaks (4.35, 3.21, 27.12 ppm; 4.14 A): 1 out of 2 assignments used, quality = 1.00: * HA CYS 125 + HB3 CYS 125 OK 100 100 - 100 - 3.0=100 HA GLN 134 - HB3 CYS 125 OK 29 99 - 29 - 3990/1.8=9, 7782/3.9=6...(6) Peak 3997 from cnoeabs.peaks (2.74, 3.21, 27.12 ppm; 3.17 A): 1 out of 2 assignments used, quality = 1.00: * HB2 CYS 125 + HB3 CYS 125 OK 100 100 - 100 - 1.8=100 HB3 ASP 78 - HB3 CYS 125 OK 15 99 - 15 - 3982/3.0=4, 7783/3.9=3...(6) Peak 3998 from cnoeabs.peaks (3.21, 3.21, 27.12 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 CYS 125 + HB3 CYS 125 OK 100 100 - 100 Peak 3999 from cnoeabs.peaks (8.29, 3.21, 27.12 ppm; 4.49 A): 1 out of 5 assignments used, quality = 0.93: * H VAL 126 + HB3 CYS 125 OK 93 100 - 93 - 4.7=90, 3.6/7784=28, 7788/3865=2 H SER 99 - HB3 CYS 125 OK 16 100 - 16 - 3984/3.0=5, 3993/1.8=5...(4) H LEU 43 - HB3 CYS 125 OK 15 98 - 15 - 3993/1.8=6, 3984/3.0=5 H LEU 69 - HB3 CYS 125 lone 5 73 - 7 - 7785/3.9=2, 3984/3.0=2 H GLU 40 - HB3 CYS 125 lone 3 57 - 5 - 10926/10385=2, 3984/3.0=1 Peak 4000 from cnoeabs.peaks (8.29, 3.43, 67.09 ppm; 4.32 A): 1 out of 5 assignments used, quality = 1.00: * H VAL 126 + HA VAL 126 OK 100 100 - 100 - 2.9=100 H LEU 43 - HA VAL 126 OK 34 98 - 35 - ~10941=10, 4021/3.2=6...(9) H SER 99 - HA VAL 126 OK 24 100 - 24 - 4021/3.2=5, 4015/3.2=4...(9) H LEU 69 - HA VAL 126 OK 19 73 - 26 - 4.9/11077=14, 4015/3.2=3...(8) H GLU 40 - HA VAL 126 poor 10 57 - 17 - 4.6/11598=5, ~7789=2...(6) Peak 4001 from cnoeabs.peaks (3.43, 3.43, 67.09 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 126 + HA VAL 126 OK 100 100 - 100 Peak 4002 from cnoeabs.peaks (2.10, 3.43, 67.09 ppm; 4.43 A): 1 out of 4 assignments used, quality = 1.00: * HB VAL 126 + HA VAL 126 OK 100 100 - 100 - 3.0=100 HG3 GLU 91 - HA VAL 126 OK 39 96 - 40 - 4017/3.2=7, ~11618=6...(10) HB3 GLN 61 - HA VAL 126 OK 30 96 - 31 - 10988/3.2=5, 7809/3.6=5...(10) HB2 GLN 61 - HA VAL 126 OK 24 81 - 29 - 10988/3.2=4, 7809/3.6=4...(10) Peak 4003 from cnoeabs.peaks (0.96, 3.43, 67.09 ppm; 3.29 A): 2 out of 4 assignments used, quality = 1.00: * QG1 VAL 126 + HA VAL 126 OK 100 100 - 100 - 3.2=100 QG2 VAL 126 + HA VAL 126 OK 81 81 - 100 - 3.2=100 QG1 VAL 105 - HA VAL 126 OK 15 98 - 15 - ~11456=7, 4012/3.0=2...(5) QG1 VAL 57 - HA VAL 126 lone 5 73 - 7 - 4.1/4006=2 Peak 4004 from cnoeabs.peaks (0.96, 3.43, 67.09 ppm; 3.30 A): 3 out of 5 assignments used, quality = 1.00: * QG2 VAL 126 + HA VAL 126 OK 100 100 - 100 - 3.2=100 QG1 VAL 126 + HA VAL 126 OK 81 81 - 100 - 3.2=100 QD2 LEU 53 + HA VAL 126 OK 50 98 - 51 - 2.1/10401=16, ~11614=8...(15) QG1 VAL 105 - HA VAL 126 OK 14 96 - 15 - ~11456=7, ~3469=2...(5) QG1 VAL 112 - HA VAL 126 lone 3 96 - 3 - Peak 4005 from cnoeabs.peaks (8.20, 3.43, 67.09 ppm; 5.69 A): 2 out of 2 assignments used, quality = 1.00: * H GLN 127 + HA VAL 126 OK 100 100 - 100 - 3.6=100 H VAL 63 + HA VAL 126 OK 48 96 - 50 - 4014/3.0=14, 4020/3.2=12...(7) Peak 4006 from cnoeabs.peaks (8.00, 3.43, 67.09 ppm; 4.68 A): 1 out of 3 assignments used, quality = 0.96: * H ILE 129 + HA VAL 126 OK 96 100 - 96 - 7859=50, 4.0/11631=34...(14) H VAL 57 - HA VAL 126 OK 24 96 - 25 - 7820/3.6=6, 4136/11631=5...(8) H LYS 36 - HA VAL 126 lone 7 81 - 8 - 7820/3.6=2, 4136/11631=1 Peak 4007 from cnoeabs.peaks (2.00, 3.43, 67.09 ppm; 4.28 A): 2 out of 9 assignments used, quality = 0.95: * HB ILE 129 + HA VAL 126 OK 92 100 - 92 - 2.1/11631=44, 4127=43...(10) HB3 LEU 53 + HA VAL 126 OK 40 65 - 61 - 3.1/10401=21, ~11614=10...(13) HB2 GLU 91 - HA VAL 126 OK 26 73 - 36 - ~10394=7, ~2874=6...(10) HG2 PRO 81 - HA VAL 126 OK 22 96 - 23 - ~10393=6, ~10392=4...(8) HB3 PRO 56 - HA VAL 126 OK 11 99 - 11 - 3.9/4006=4, 1775/7859=3...(4) HB3 PRO 117 - HA VAL 126 lone 5 87 - 5 - ~10393=2, ~10392=1 HG2 PRO 56 - HA VAL 126 lone 4 92 - 5 - 7869/7859=1, 4138/11631=1 HG3 PRO 56 - HA VAL 126 lone 4 92 - 5 - 7869/7859=1, 4138/11631=1 HB VAL 20 - HA VAL 126 lone 4 100 - 4 - ~10394=1 Peak 4008 from cnoeabs.peaks (3.85, 2.10, 31.38 ppm; 4.22 A): 3 out of 6 assignments used, quality = 0.69: * HA LEU 123 + HB VAL 126 OK 49 100 - 49 - 3917=32, 3916/3.7=11...(4) HA LEU 62 + HB VAL 126 OK 27 99 - 27 - 3.6/4014=8, 1968/4.6=7...(6) HD2 PRO 81 + HB VAL 126 OK 17 96 - 18 - 10393/2.1=7, 10392/3.7=3...(5) HA GLU 40 - HB VAL 126 poor 9 87 - 10 - 7789/3.7=3, 7803/4.6=3 HB3 SER 33 - HB VAL 126 lone 5 96 - 5 - 10392/3.7=1, 10393/2.1=1 HB2 SER 50 - HB VAL 126 lone 1 57 - 2 - Peak 4009 from cnoeabs.peaks (8.29, 2.10, 31.38 ppm; 4.00 A): 1 out of 5 assignments used, quality = 1.00: * H VAL 126 + HB VAL 126 OK 100 100 - 100 - 3.7=100 H LEU 43 - HB VAL 126 OK 29 98 - 29 - 2.8/10941=8, 4021/2.1=7...(7) H SER 99 - HB VAL 126 OK 17 100 - 17 - 4021/2.1=5, 4015/2.1=4...(5) H LEU 69 - HB VAL 126 poor 8 73 - 10 - 4015/2.1=4, 4000/3.0=3...(4) H GLU 40 - HB VAL 126 lone 5 57 - 8 - 2.8/4008=2, 4000/3.0=1 Peak 4010 from cnoeabs.peaks (3.43, 2.10, 31.38 ppm; 4.90 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 126 + HB VAL 126 OK 100 100 - 100 - 3.0=100 Peak 4011 from cnoeabs.peaks (2.10, 2.10, 31.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB VAL 126 + HB VAL 126 OK 100 100 - 100 Peak 4012 from cnoeabs.peaks (0.96, 2.10, 31.38 ppm; 3.12 A): 2 out of 4 assignments used, quality = 1.00: * QG1 VAL 126 + HB VAL 126 OK 100 100 - 100 - 2.1=100 QG2 VAL 126 + HB VAL 126 OK 81 81 - 100 - 2.1=100 QG1 VAL 105 - HB VAL 126 OK 14 98 - 15 - 2.1/11456=6, ~3469=2...(5) QG1 VAL 57 - HB VAL 126 lone 2 73 - 3 - Peak 4013 from cnoeabs.peaks (0.96, 2.10, 31.38 ppm; 3.13 A): 2 out of 5 assignments used, quality = 1.00: * QG2 VAL 126 + HB VAL 126 OK 100 100 - 100 - 2.1=100 QG1 VAL 126 + HB VAL 126 OK 81 81 - 100 - 2.1=100 QD2 LEU 53 - HB VAL 126 OK 44 98 - 45 - ~11614=11, 2.1/10407=9...(11) QG1 VAL 105 - HB VAL 126 OK 14 96 - 14 - 2.1/11456=6, ~3469=2...(5) QG1 VAL 112 - HB VAL 126 lone 4 96 - 4 - 10194/10185=1 Peak 4014 from cnoeabs.peaks (8.20, 2.10, 31.38 ppm; 4.33 A): 2 out of 2 assignments used, quality = 0.97: * H GLN 127 + HB VAL 126 OK 95 100 - 95 - 4.6=82, 4026/2.1=30...(7) H VAL 63 + HB VAL 126 OK 43 96 - 45 - 4020/2.1=10, 4026/2.1=9...(9) Peak 4015 from cnoeabs.peaks (8.29, 0.96, 22.68 ppm; 3.78 A): 1 out of 5 assignments used, quality = 0.95: * H VAL 126 + QG1 VAL 126 OK 95 100 - 95 - 4.0=86, 4021/2.1=26...(10) H LEU 43 - QG1 VAL 126 OK 27 98 - 28 - ~10941=8, 4021/2.1=7...(5) H SER 99 - QG1 VAL 126 OK 16 100 - 16 - 4021/2.1=5, 4009/2.1=3...(4) H LEU 69 - QG1 VAL 126 OK 15 73 - 20 - 4.4/11620=8, 3.6/10394=4...(7) H GLU 40 - QG1 VAL 126 lone 4 57 - 6 - ~4008=1, 4000/3.2=1, 7807/4.3=1 Peak 4016 from cnoeabs.peaks (3.43, 0.96, 22.68 ppm; 3.47 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 126 + QG1 VAL 126 OK 100 100 - 100 - 3.2=100 Peak 4017 from cnoeabs.peaks (2.10, 0.96, 22.68 ppm; 3.15 A): 1 out of 4 assignments used, quality = 1.00: * HB VAL 126 + QG1 VAL 126 OK 100 100 - 100 - 2.1=100 HG3 GLU 91 - QG1 VAL 126 OK 30 96 - 31 - 3.9/10394=8, 3.0/11618=7...(9) HB3 GLN 61 - QG1 VAL 126 OK 19 96 - 20 - 4023/2.1=3, 10988=3...(8) HB2 GLN 61 - QG1 VAL 126 OK 15 81 - 19 - 1.8/10988=3, 4023/2.1=3...(8) Peak 4018 from cnoeabs.peaks (0.96, 0.96, 22.68 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 126 + QG1 VAL 126 OK 100 100 - 100 Peak 4019 from cnoeabs.peaks (0.96, 0.96, 22.68 ppm; diagonal): 1 out of 1 assignment used, quality = 0.81: QG1 VAL 126 + QG1 VAL 126 OK 81 81 - 100 Reference assignment not found: QG2 VAL 126 - QG1 VAL 126 Peak 4020 from cnoeabs.peaks (8.20, 0.96, 22.68 ppm; 4.11 A): 1 out of 2 assignments used, quality = 0.96: * H GLN 127 + QG1 VAL 126 OK 96 100 - 96 - 4.3=85, 4026/2.1=28...(9) H VAL 63 - QG1 VAL 126 OK 33 96 - 34 - 4014/2.1=10, 4026/2.1=8...(7) Peak 4021 from cnoeabs.peaks (8.29, 0.96, 23.84 ppm; 3.27 A): 3 out of 5 assignments used, quality = 0.85: * H VAL 126 + QG2 VAL 126 OK 78 100 - 78 - 4.0=56, 7797/2.1=19...(8) H LEU 43 + QG2 VAL 126 OK 20 98 - 20 - ~10941=6, 4015/2.1=4...(5) H SER 99 + QG2 VAL 126 OK 14 100 - 14 - 4015/2.1=3, 4009/2.1=3...(6) H LEU 69 - QG2 VAL 126 lone 5 73 - 7 - 4015/2.1=2, 4000/3.2=2 H GLU 40 - QG2 VAL 126 lone 3 57 - 4 - Peak 4022 from cnoeabs.peaks (3.43, 0.96, 23.84 ppm; 3.47 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 126 + QG2 VAL 126 OK 100 100 - 100 - 3.2=100 Peak 4023 from cnoeabs.peaks (2.10, 0.96, 23.84 ppm; 3.25 A): 1 out of 4 assignments used, quality = 1.00: * HB VAL 126 + QG2 VAL 126 OK 100 100 - 100 - 2.1=100 HG3 GLU 91 - QG2 VAL 126 OK 24 96 - 25 - 4017/2.1=6, ~11618=4...(8) HB3 GLN 61 - QG2 VAL 126 OK 17 96 - 18 - 4017/2.1=4, 4002/3.2=2...(7) HB2 GLN 61 - QG2 VAL 126 OK 14 81 - 17 - 4017/2.1=3, ~10988=3...(7) Peak 4024 from cnoeabs.peaks (0.96, 0.96, 23.84 ppm; diagonal): 1 out of 1 assignment used, quality = 0.81: QG2 VAL 126 + QG2 VAL 126 OK 81 81 - 100 Reference assignment not found: QG1 VAL 126 - QG2 VAL 126 Peak 4025 from cnoeabs.peaks (0.96, 0.96, 23.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 126 + QG2 VAL 126 OK 100 100 - 100 Peak 4026 from cnoeabs.peaks (8.20, 0.96, 23.84 ppm; 4.08 A): 1 out of 2 assignments used, quality = 0.94: * H GLN 127 + QG2 VAL 126 OK 94 100 - 94 - 4.4=81, 4020/2.1=26...(8) H VAL 63 - QG2 VAL 126 OK 28 96 - 30 - 4014/2.1=10, 4020/2.1=9...(4) Peak 4027 from cnoeabs.peaks (8.20, 3.97, 58.71 ppm; 3.94 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 127 + HA GLN 127 OK 100 100 - 100 - 2.9=100 H VAL 63 - HA GLN 127 OK 43 96 - 45 - 4040/3.0=11, 4050/3.0=9...(9) Peak 4028 from cnoeabs.peaks (3.97, 3.97, 58.71 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLN 127 + HA GLN 127 OK 100 100 - 100 Peak 4029 from cnoeabs.peaks (2.06, 3.97, 58.71 ppm; 3.28 A): 2 out of 8 assignments used, quality = 1.00: * HB2 GLN 127 + HA GLN 127 OK 100 100 - 100 - 3.0=100 HB2 LEU 62 + HA GLN 127 OK 47 100 - 47 - ~11004=7, 7813/2.9=5...(20) HB3 GLN 27 - HA GLN 127 OK 39 96 - 41 - 4052/3.0=5, 4061/3.8=4...(18) HG2 PRO 117 - HA GLN 127 OK 20 98 - 21 - 4052/3.0=3, 4061/3.8=2...(7) HB VAL 118 - HA GLN 127 OK 19 100 - 19 - 3.0/4037=4, ~11545=2...(8) HG3 PRO 117 - HA GLN 127 OK 17 87 - 19 - 4052/3.0=2, 2.3/4031=2...(7) HG3 PRO 113 - HA GLN 127 lone 7 96 - 7 - HG3 PRO 81 - HA GLN 127 lone 5 92 - 5 - ~7803=1 Peak 4030 from cnoeabs.peaks (2.23, 3.97, 58.71 ppm; 3.21 A): 1 out of 8 assignments used, quality = 1.00: * HB3 GLN 127 + HA GLN 127 OK 100 100 - 100 - 3.0=100 HB3 GLU 128 - HA GLN 127 OK 35 100 - 35 - 4096/3.6=15, 7814/2.9=6...(8) HG2 GLN 68 - HA GLN 127 OK 31 92 - 34 - 3.0/2130=7, 3.0/2140=5...(11) HB2 GLN 68 - HA GLN 127 OK 30 81 - 37 - 2130=7, 1.8/2140=7...(12) HB3 GLU 102 - HA GLN 127 OK 27 98 - 28 - 3345/3.8=4, 4043/3.0=3...(13) HB3 GLN 104 - HA GLN 127 OK 11 96 - 11 - 7852/3.6=2, 4080/4.9=2...(4) HG2 GLU 91 - HA GLN 127 lone 9 100 - 9 - ~7809=2, 7814/2.9=1 HB3 LEU 96 - HA GLN 127 lone 2 57 - 3 - Peak 4031 from cnoeabs.peaks (2.35, 3.97, 58.71 ppm; 4.00 A): 3 out of 5 assignments used, quality = 1.00: * HG2 GLN 127 + HA GLN 127 OK 100 100 - 100 - 3.8=100 HG2 GLN 27 + HA GLN 127 OK 52 99 - 52 - 722/3.0=9, 4054/3.0=7...(17) HG3 GLN 27 + HA GLN 127 OK 49 96 - 52 - 731/3.0=8, 4054/3.0=7...(17) HG2 GLU 102 - HA GLN 127 OK 31 96 - 32 - 3351/3.0=6, 7846/3.6=5...(12) HB2 PRO 117 - HA GLN 127 OK 22 81 - 27 - 2.3/4029=3, 4054/3.0=3...(11) Peak 4032 from cnoeabs.peaks (2.49, 3.97, 58.71 ppm; 4.93 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 127 + HA GLN 127 OK 100 100 - 100 - 3.8=100 Peak 4035 from cnoeabs.peaks (7.88, 3.97, 58.71 ppm; 4.16 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 128 + HA GLN 127 OK 100 100 - 100 - 3.6=100 H ALA 41 - HA GLN 127 OK 41 87 - 47 - 4058/3.0=9, 4048/3.0=9...(11) Peak 4036 from cnoeabs.peaks (8.04, 3.97, 58.71 ppm; 4.12 A): 2 out of 7 assignments used, quality = 0.83: * H SER 130 + HA GLN 127 OK 78 100 - 78 - 7878=24, 3.9/4175=20...(10) H CYS 125 + HA GLN 127 OK 23 73 - 32 - 7786/2.9=15, 7856/3.6=11...(4) H ALA 52 - HA GLN 127 lone 7 81 - 9 - 3.6/11605=3, 7856/3.6=2 H TYR 76 - HA GLN 127 lone 4 73 - 6 - H ALA 16 - HA GLN 127 lone 4 92 - 4 - H CYS 79 - HA GLN 127 lone 3 73 - 4 - 7856/3.6=1, 7805/2.9=1 H LEU 48 - HA GLN 127 lone 2 57 - 3 - Peak 4037 from cnoeabs.peaks (3.82, 3.97, 58.71 ppm; 3.99 A): 2 out of 3 assignments used, quality = 0.76: * HB2 SER 130 + HA GLN 127 OK 70 100 - 70 - 4175=34, 1.8/4181=21...(8) HA VAL 118 + HA GLN 127 OK 19 87 - 22 - 10419/5.6=4, 10420/5.6=3...(7) HD3 PRO 58 - HA GLN 127 lone 10 99 - 10 - 4184/4181=2...(6) Peak 4038 from cnoeabs.peaks (3.77, 3.97, 58.71 ppm; 4.02 A): 2 out of 4 assignments used, quality = 0.80: * HB3 SER 130 + HA GLN 127 OK 64 100 - 64 - 1.8/4175=31, 4181=27...(5) HA SER 130 + HA GLN 127 OK 44 73 - 60 - 3.0/4175=24, 2.9/4036=19...(7) HA LEU 43 - HA GLN 127 lone 6 81 - 8 - ~10940=2, ~7807=2, 4179/4175=1 HA VAL 133 - HA GLN 127 lone 4 81 - 5 - 7901/7894=1, 4179/4175=1 Peak 4039 from cnoeabs.peaks (4.24, 2.06, 27.80 ppm; 4.54 A): 3 out of 5 assignments used, quality = 0.96: HA GLN 27 + HB2 GLN 127 OK 79 98 - 81 - 11606/3.0=21...(23) * HA SER 124 + HB2 GLN 127 OK 66 100 - 66 - 3965/4.0=21, 3966=20...(8) HA ALA 28 + HB2 GLN 127 OK 38 98 - 38 - 3.0/6298=7, 4049/1.8=7...(13) HA SER 94 - HB2 GLN 127 OK 21 73 - 28 - 4049/1.8=5, 3.0/4041=4...(13) HA ARG 84 - HB2 GLN 127 lone 5 81 - 5 - Peak 4040 from cnoeabs.peaks (8.20, 2.06, 27.80 ppm; 3.88 A): 2 out of 2 assignments used, quality = 1.00: * H GLN 127 + HB2 GLN 127 OK 99 100 - 99 - 4.0=94, 7816/3.0=27...(15) H VAL 63 + HB2 GLN 127 OK 55 96 - 58 - 6806=13, 4050/1.8=12...(12) Peak 4041 from cnoeabs.peaks (3.97, 2.06, 27.80 ppm; 3.35 A): 1 out of 9 assignments used, quality = 1.00: * HA GLN 127 + HB2 GLN 127 OK 100 100 - 100 - 3.0=100 HA THR 65 - HB2 GLN 127 OK 21 100 - 21 - 2065/1.8=6, 4060/3.0=3...(8) HB3 SER 94 - HB2 GLN 127 OK 18 98 - 18 - 4051/1.8=4, 4060/3.0=3...(9) HB2 SER 106 - HB2 GLN 127 OK 16 98 - 16 - 4051/1.8=3, 4060/3.0=2...(7) HB3 SER 106 - HB2 GLN 127 poor 8 65 - 12 - ~4051=2, 4051/1.8=2...(6) HA LEU 100 - HB2 GLN 127 lone 6 73 - 8 - 4051/1.8=2 HA2 GLY 17 - HB2 GLN 127 lone 5 73 - 6 - HA3 GLY 17 - HB2 GLN 127 lone 5 73 - 6 - HB3 SER 107 - HB2 GLN 127 lone 3 65 - 5 - Peak 4042 from cnoeabs.peaks (2.06, 2.06, 27.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 127 + HB2 GLN 127 OK 100 100 - 100 Peak 4043 from cnoeabs.peaks (2.23, 2.06, 27.80 ppm; 2.96 A): 1 out of 8 assignments used, quality = 1.00: * HB3 GLN 127 + HB2 GLN 127 OK 100 100 - 100 - 1.8=100 HB3 GLU 128 - HB2 GLN 127 OK 28 100 - 28 - 3.6/4048=10, 7814/4.0=4...(9) HB3 GLU 102 - HB2 GLN 127 OK 26 98 - 27 - 3345/3.0=4, 4071/3.0=3...(14) HG2 GLN 68 - HB2 GLN 127 OK 24 92 - 27 - 2152/1.8=4, 4030/3.0=3...(12) HB2 GLN 68 - HB2 GLN 127 OK 21 81 - 27 - 2130/3.0=4, 2135/1.8=3...(13) HB3 GLN 104 - HB2 GLN 127 lone 9 96 - 9 - HG2 GLU 91 - HB2 GLN 127 lone 6 100 - 6 - HB3 LEU 96 - HB2 GLN 127 lone 1 57 - 1 - Peak 4044 from cnoeabs.peaks (2.35, 2.06, 27.80 ppm; 3.07 A): 3 out of 5 assignments used, quality = 1.00: * HG2 GLN 127 + HB2 GLN 127 OK 100 100 - 100 - 3.0=100 HG2 GLN 27 + HB2 GLN 127 OK 55 99 - 55 - 722=11, 1.8/731=8...(25) HG3 GLN 27 + HB2 GLN 127 OK 52 96 - 55 - 731=9, 1.8/722=9...(25) HG2 GLU 102 - HB2 GLN 127 OK 26 96 - 27 - 3351/1.8=5, 3.0/4043=3...(14) HB2 PRO 117 - HB2 GLN 127 OK 19 81 - 23 - 4054/1.8=3, 4072/3.0=2...(10) Peak 4045 from cnoeabs.peaks (2.49, 2.06, 27.80 ppm; 3.65 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 127 + HB2 GLN 127 OK 100 100 - 100 - 3.0=100 Peak 4046 from cnoeabs.peaks (6.82, 2.06, 27.80 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 127 + HB2 GLN 127 OK 100 100 - 100 - 4.5=100 Peak 4047 from cnoeabs.peaks (7.48, 2.06, 27.80 ppm; 4.84 A): 1 out of 3 assignments used, quality = 1.00: * HE22 GLN 127 + HB2 GLN 127 OK 100 100 - 100 - 4.5=100 H LEU 42 - HB2 GLN 127 OK 31 65 - 47 - 3.5/4048=11, ~4058=7...(11) H GLN 134 - HB2 GLN 127 lone 4 65 - 6 - 4.6/10582=2 Peak 4048 from cnoeabs.peaks (7.88, 2.06, 27.80 ppm; 3.99 A): 2 out of 2 assignments used, quality = 0.96: * H GLU 128 + HB2 GLN 127 OK 93 100 - 93 - 4.7=63, 4058/1.8=30...(17) H ALA 41 + HB2 GLN 127 OK 38 87 - 44 - 4058/1.8=11, 4035/3.0=8...(10) Peak 4049 from cnoeabs.peaks (4.24, 2.23, 27.80 ppm; 4.23 A): 4 out of 5 assignments used, quality = 0.94: HA GLN 27 + HB3 GLN 127 OK 68 98 - 69 - 11606/3.0=19...(19) * HA SER 124 + HB3 GLN 127 OK 65 100 - 65 - 3967=20, 3965/4.0=18...(8) HA ALA 28 + HB3 GLN 127 OK 30 98 - 30 - 4039/1.8=6, 11606/3.0=6...(11) HA SER 94 + HB3 GLN 127 OK 20 73 - 27 - 3.0/4051=4, 4039/1.8=3...(13) HA ARG 84 - HB3 GLN 127 lone 4 81 - 5 - Peak 4050 from cnoeabs.peaks (8.20, 2.23, 27.80 ppm; 3.87 A): 1 out of 2 assignments used, quality = 0.99: * H GLN 127 + HB3 GLN 127 OK 99 100 - 99 - 4.0=93, 7816/3.0=27...(16) H VAL 63 - HB3 GLN 127 OK 45 96 - 47 - 4040/1.8=13, 4059/3.0=10...(9) Peak 4051 from cnoeabs.peaks (3.97, 2.23, 27.80 ppm; 3.37 A): 1 out of 9 assignments used, quality = 1.00: * HA GLN 127 + HB3 GLN 127 OK 100 100 - 100 - 3.0=100 HA THR 65 - HB3 GLN 127 OK 25 100 - 26 - 2065=4, 4041/1.8=4...(10) HB3 SER 94 - HB3 GLN 127 OK 20 98 - 20 - 4041/1.8=4, 4060/3.0=3...(11) HB2 SER 106 - HB3 GLN 127 OK 16 98 - 17 - 4041/1.8=3, 4060/3.0=2...(7) HB3 SER 106 - HB3 GLN 127 poor 8 65 - 13 - ~4041=2, 4041/1.8=2...(6) HA LEU 100 - HB3 GLN 127 poor 8 73 - 11 - 4.1/10025=2, 4041/1.8=1 HA2 GLY 17 - HB3 GLN 127 lone 5 73 - 6 - HA3 GLY 17 - HB3 GLN 127 lone 5 73 - 6 - HB3 SER 107 - HB3 GLN 127 lone 3 65 - 5 - Peak 4052 from cnoeabs.peaks (2.06, 2.23, 27.80 ppm; 3.04 A): 2 out of 8 assignments used, quality = 1.00: * HB2 GLN 127 + HB3 GLN 127 OK 100 100 - 100 - 1.8=100 HB3 GLN 27 + HB3 GLN 127 OK 47 96 - 50 - 3.0/4049=6, 4061/3.0=5...(23) HB2 LEU 62 - HB3 GLN 127 OK 44 100 - 44 - 3.2/11610=5, 4061/3.0=4...(19) HG2 PRO 117 - HB3 GLN 127 OK 25 98 - 25 - 2.3/4054=2, 4061/3.0=2...(6) HG3 PRO 117 - HB3 GLN 127 OK 21 87 - 24 - 2.3/4054=2, 4061/3.0=2...(7) HB VAL 118 - HB3 GLN 127 OK 19 100 - 18 - 2.1/11546=3, 2.1/11545=2...(9) HG3 PRO 113 - HB3 GLN 127 lone 8 96 - 8 - HG3 PRO 81 - HB3 GLN 127 lone 5 92 - 6 - Peak 4053 from cnoeabs.peaks (2.23, 2.23, 27.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 127 + HB3 GLN 127 OK 100 100 - 100 Peak 4054 from cnoeabs.peaks (2.35, 2.23, 27.80 ppm; 3.35 A): 3 out of 5 assignments used, quality = 1.00: * HG2 GLN 127 + HB3 GLN 127 OK 100 100 - 100 - 3.0=100 HG2 GLN 27 + HB3 GLN 127 OK 55 99 - 55 - 722/1.8=10, 3.7/4049=6...(23) HG3 GLN 27 + HB3 GLN 127 OK 52 96 - 55 - 731/1.8=9, ~722=6...(23) HG2 GLU 102 - HB3 GLN 127 OK 37 96 - 38 - 3351=7, 1.8/3358=5...(18) HB2 PRO 117 - HB3 GLN 127 OK 24 81 - 29 - 2.3/4052=3, 4044/1.8=3...(11) Peak 4055 from cnoeabs.peaks (2.49, 2.23, 27.80 ppm; 3.82 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 127 + HB3 GLN 127 OK 100 100 - 100 - 3.0=100 Peak 4056 from cnoeabs.peaks (6.82, 2.23, 27.80 ppm; 5.45 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 127 + HB3 GLN 127 OK 100 100 - 100 - 4.5=100 Peak 4057 from cnoeabs.peaks (7.48, 2.23, 27.80 ppm; 6.80 A): 1 out of 3 assignments used, quality = 1.00: * HE22 GLN 127 + HB3 GLN 127 OK 100 100 - 100 - 4.5=100 H LEU 42 - HB3 GLN 127 OK 41 65 - 62 - 3.5/4058=14, ~4048=13...(10) H GLN 134 - HB3 GLN 127 lone 5 65 - 8 - 4047/1.8=2 Peak 4058 from cnoeabs.peaks (7.88, 2.23, 27.80 ppm; 3.68 A): 2 out of 2 assignments used, quality = 0.92: * H GLU 128 + HB3 GLN 127 OK 89 100 - 89 - 4.7=50, 4048/1.8=23...(18) H ALA 41 + HB3 GLN 127 OK 33 87 - 38 - 4048/1.8=9, 4035/3.0=7...(10) Peak 4059 from cnoeabs.peaks (8.20, 2.35, 33.92 ppm; 3.71 A): 2 out of 2 assignments used, quality = 0.95: * H GLN 127 + HG2 GLN 127 OK 92 100 - 92 - 4.8=47, 7816/1.8=32...(18) H VAL 63 + HG2 GLN 127 OK 43 96 - 45 - 4068/1.8=12, 4040/3.0=10...(9) Peak 4060 from cnoeabs.peaks (3.97, 2.35, 33.92 ppm; 3.44 A): 1 out of 9 assignments used, quality = 0.94: * HA GLN 127 + HG2 GLN 127 OK 94 100 - 94 - 3.8=77, 4069/1.8=18...(14) HA THR 65 - HG2 GLN 127 OK 18 100 - 18 - 2065/3.0=5, 4069/1.8=4...(6) HB3 SER 94 - HG2 GLN 127 OK 17 98 - 17 - 4069/1.8=3, 4051/3.0=3...(7) HB2 SER 106 - HG2 GLN 127 OK 15 98 - 15 - 4069/1.8=3, 4041/3.0=2...(7) HB3 SER 106 - HG2 GLN 127 poor 8 65 - 11 - ~4069=2, 4069/1.8=2...(6) HA LEU 100 - HG2 GLN 127 lone 5 73 - 7 - 4051/3.0=1 HA2 GLY 17 - HG2 GLN 127 lone 5 73 - 6 - HA3 GLY 17 - HG2 GLN 127 lone 5 73 - 6 - HB3 SER 107 - HG2 GLN 127 lone 3 65 - 5 - Peak 4061 from cnoeabs.peaks (2.06, 2.35, 33.92 ppm; 2.66 A): 3 out of 8 assignments used, quality = 0.93: * HB2 GLN 127 + HG2 GLN 127 OK 82 100 - 82 - 3.0=69, 1.8/4062=14...(8) HB3 GLN 27 + HG2 GLN 127 OK 39 96 - 41 - 3.0/11606=9, 714=6...(18) HB2 LEU 62 + HG2 GLN 127 OK 34 100 - 34 - 3.2/10435=5, 4070/1.8=4...(14) HG2 PRO 117 - HG2 GLN 127 OK 18 98 - 18 - 4070/1.8=2, 4052/3.0=2...(6) HG3 PRO 117 - HG2 GLN 127 OK 14 87 - 16 - 4070/1.8=2, 4052/3.0=1...(4) HB VAL 118 - HG2 GLN 127 OK 12 100 - 11 - 4070/1.8=2, 4052/3.0=1...(5) HG3 PRO 113 - HG2 GLN 127 lone 5 96 - 5 - HG3 PRO 81 - HG2 GLN 127 lone 4 92 - 5 - Peak 4062 from cnoeabs.peaks (2.23, 2.35, 33.92 ppm; 2.92 A): 1 out of 8 assignments used, quality = 0.95: * HB3 GLN 127 + HG2 GLN 127 OK 95 100 - 95 - 3.0=91, 1.8/4061=15...(10) HB3 GLU 102 - HG2 GLN 127 OK 32 98 - 33 - 3345=7, 1.8/3337=5...(12) HB3 GLU 128 - HG2 GLN 127 OK 24 100 - 24 - 3.6/4067=7, 4071/1.8=4...(9) HG2 GLN 68 - HG2 GLN 127 OK 17 92 - 19 - 4071/1.8=3, 4043/3.0=2...(4) HB2 GLN 68 - HG2 GLN 127 OK 15 81 - 19 - 2130/3.8=3, 4071/1.8=3...(7) HB3 GLN 104 - HG2 GLN 127 lone 8 96 - 8 - 4071/1.8=1 HG2 GLU 91 - HG2 GLN 127 lone 5 100 - 5 - HB3 LEU 96 - HG2 GLN 127 lone 1 57 - 2 - Peak 4063 from cnoeabs.peaks (2.35, 2.35, 33.92 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 127 + HG2 GLN 127 OK 100 100 - 100 Peak 4064 from cnoeabs.peaks (2.49, 2.35, 33.92 ppm; 2.64 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 127 + HG2 GLN 127 OK 100 100 - 100 - 1.8=100 Peak 4065 from cnoeabs.peaks (6.82, 2.35, 33.92 ppm; 3.73 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 127 + HG2 GLN 127 OK 100 100 - 100 - 3.5=100 Peak 4066 from cnoeabs.peaks (7.48, 2.35, 33.92 ppm; 3.62 A): 1 out of 3 assignments used, quality = 1.00: * HE22 GLN 127 + HG2 GLN 127 OK 100 100 - 100 - 3.5=100 H LEU 42 - HG2 GLN 127 OK 16 65 - 25 - 3.5/4067=6, 4075/1.8=5...(8) H GLN 134 - HG2 GLN 127 lone 1 65 - 2 - Peak 4067 from cnoeabs.peaks (7.88, 2.35, 33.92 ppm; 4.65 A): 2 out of 2 assignments used, quality = 0.97: * H GLU 128 + HG2 GLN 127 OK 95 100 - 95 - 7847/1.8=30, 4058/3.0=29...(18) H ALA 41 + HG2 GLN 127 OK 47 87 - 54 - 4076/1.8=13, 4058/3.0=11...(11) Peak 4068 from cnoeabs.peaks (8.20, 2.49, 33.92 ppm; 3.75 A): 2 out of 2 assignments used, quality = 0.95: * H GLN 127 + HG3 GLN 127 OK 92 100 - 92 - 4.8=49, 4059/1.8=25...(16) H VAL 63 + HG3 GLN 127 OK 44 96 - 46 - 4059/1.8=12, 4040/3.0=10...(10) Peak 4069 from cnoeabs.peaks (3.97, 2.49, 33.92 ppm; 3.68 A): 1 out of 9 assignments used, quality = 0.99: * HA GLN 127 + HG3 GLN 127 OK 99 100 - 99 - 3.8=93, 2.9/7816=25...(15) HA THR 65 - HG3 GLN 127 OK 20 100 - 20 - 2065/3.0=5, 4060/1.8=4...(7) HB3 SER 94 - HG3 GLN 127 OK 19 98 - 19 - 4060/1.8=4, 4051/3.0=3...(9) HB2 SER 106 - HG3 GLN 127 OK 17 98 - 17 - 4060/1.8=4, 4041/3.0=3...(8) HB3 SER 106 - HG3 GLN 127 poor 8 65 - 13 - ~4060=2, 4060/1.8=2...(6) HA3 GLY 17 - HG3 GLN 127 lone 5 73 - 7 - 4060/1.8=1 HA2 GLY 17 - HG3 GLN 127 lone 5 73 - 7 - 4060/1.8=1 HA LEU 100 - HG3 GLN 127 lone 5 73 - 7 - 4051/3.0=1, 4060/1.8=1 HB3 SER 107 - HG3 GLN 127 lone 3 65 - 5 - Peak 4070 from cnoeabs.peaks (2.06, 2.49, 33.92 ppm; 3.15 A): 3 out of 8 assignments used, quality = 1.00: * HB2 GLN 127 + HG3 GLN 127 OK 100 100 - 100 - 3.0=100 HB3 GLN 27 + HG3 GLN 127 OK 49 96 - 52 - 4061/1.8=8, ~11606=6...(22) HB2 LEU 62 + HG3 GLN 127 OK 47 100 - 47 - 3.2/10437=7, 4061/1.8=7...(19) HG2 PRO 117 - HG3 GLN 127 OK 25 98 - 25 - 4061/1.8=4, 2.3/4072=2...(10) HG3 PRO 117 - HG3 GLN 127 OK 21 87 - 24 - 4061/1.8=3, 2.3/4072=2...(10) HB VAL 118 - HG3 GLN 127 OK 17 100 - 17 - ~10268=3, 4061/1.8=2...(7) HG3 PRO 113 - HG3 GLN 127 lone 7 96 - 7 - HG3 PRO 81 - HG3 GLN 127 lone 6 92 - 6 - Peak 4071 from cnoeabs.peaks (2.23, 2.49, 33.92 ppm; 3.17 A): 1 out of 8 assignments used, quality = 1.00: * HB3 GLN 127 + HG3 GLN 127 OK 100 100 - 100 - 3.0=100 HB3 GLU 102 - HG3 GLN 127 OK 29 98 - 30 - 3345/1.8=7, ~3337=4...(13) HB3 GLU 128 - HG3 GLN 127 OK 28 100 - 28 - 3.6/7847=9, 4062/1.8=5...(9) HG2 GLN 68 - HG3 GLN 127 OK 20 92 - 22 - 4062/1.8=3, 4043/3.0=3...(10) HB2 GLN 68 - HG3 GLN 127 OK 18 81 - 22 - 2130/3.8=3, 4062/1.8=3...(10) HB3 GLN 104 - HG3 GLN 127 lone 9 96 - 9 - 4062/1.8=1, 4043/3.0=1 HG2 GLU 91 - HG3 GLN 127 lone 6 100 - 6 - HB3 LEU 96 - HG3 GLN 127 lone 1 57 - 1 - Peak 4072 from cnoeabs.peaks (2.35, 2.49, 33.92 ppm; 2.50 A): 1 out of 5 assignments used, quality = 1.00: * HG2 GLN 127 + HG3 GLN 127 OK 100 100 - 100 - 1.8=100 HG2 GLN 27 - HG3 GLN 127 OK 30 99 - 30 - 722/3.0=4, 4054/3.0=3...(16) HG3 GLN 27 - HG3 GLN 127 OK 30 96 - 31 - 731/3.0=4, 3.7/11607=3...(17) HG2 GLU 102 - HG3 GLN 127 OK 16 96 - 17 - 3351/3.0=2, 3.0/4071=2...(9) HB2 PRO 117 - HG3 GLN 127 OK 12 81 - 15 - 2.3/4070=2, 2.3/4070=1...(5) Peak 4073 from cnoeabs.peaks (2.49, 2.49, 33.92 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 127 + HG3 GLN 127 OK 100 100 - 100 Peak 4074 from cnoeabs.peaks (6.82, 2.49, 33.92 ppm; 4.36 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 127 + HG3 GLN 127 OK 100 100 - 100 - 3.5=100 Peak 4075 from cnoeabs.peaks (7.48, 2.49, 33.92 ppm; 3.75 A): 1 out of 3 assignments used, quality = 1.00: * HE22 GLN 127 + HG3 GLN 127 OK 100 100 - 100 - 3.5=100 H LEU 42 - HG3 GLN 127 OK 17 65 - 26 - 3.5/4076=6, 4066/1.8=5...(8) H GLN 134 - HG3 GLN 127 lone 2 65 - 2 - Peak 4076 from cnoeabs.peaks (7.88, 2.49, 33.92 ppm; 4.84 A): 2 out of 2 assignments used, quality = 0.98: * H GLU 128 + HG3 GLN 127 OK 96 100 - 96 - 3.2/7816=38, 7847=36...(17) H ALA 41 + HG3 GLN 127 OK 50 87 - 57 - 4067/1.8=14, 4048/3.0=12...(11) Peak 4077 from cnoeabs.peaks (7.88, 4.20, 59.03 ppm; 3.89 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 128 + HA GLU 128 OK 100 100 - 100 - 2.9=100 H ALA 41 - HA GLU 128 OK 32 87 - 37 - 4088/3.0=7, 4096/3.0=7...(11) Peak 4078 from cnoeabs.peaks (4.20, 4.20, 59.03 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 128 + HA GLU 128 OK 100 100 - 100 Peak 4079 from cnoeabs.peaks (2.08, 4.20, 59.03 ppm; 3.94 A): 2 out of 7 assignments used, quality = 1.00: * HB2 GLU 128 + HA GLU 128 OK 100 100 - 100 - 3.0=100 HB2 GLU 102 + HA GLU 128 OK 51 100 - 51 - 4098/3.0=9, 7851/2.9=6...(17) HB3 LYS 39 - HA GLU 128 OK 30 99 - 31 - 2.9/10442=7, 4098/3.0=4...(11) HG3 GLN 134 - HA GLU 128 OK 19 100 - 19 - 4098/3.0=3, 7851/2.9=3...(9) HB VAL 57 - HA GLU 128 OK 13 65 - 21 - ~10440=6, 4.0/4083=5...(6) HB3 GLU 44 - HA GLU 128 lone 7 98 - 7 - 4098/3.0=1, 7851/2.9=1 HG3 PRO 58 - HA GLU 128 lone 2 65 - 3 - Peak 4080 from cnoeabs.peaks (2.22, 4.20, 59.03 ppm; 3.70 A): 2 out of 8 assignments used, quality = 1.00: * HB3 GLU 128 + HA GLU 128 OK 100 100 - 100 - 3.0=100 HB3 GLN 127 + HA GLU 128 OK 62 100 - 62 - 4058/2.9=21, ~4048=12...(15) HB3 GLU 102 - HA GLU 128 OK 43 96 - 46 - 1.8/4079=8, 3343/3.0=7...(17) HB3 GLN 104 - HA GLU 128 OK 42 98 - 43 - 3.0/4081=7, 3436/3.9=7...(14) HG2 GLU 91 - HA GLU 128 OK 19 99 - 19 - 3.0/2860=3, 3.0/2868=3...(10) HB2 GLN 68 - HA GLU 128 OK 17 87 - 19 - 2130/4.9=4, 7852/2.9=2...(7) HG2 GLN 68 - HA GLU 128 OK 15 87 - 17 - 4030/4.9=2, 7845/2.9=2...(5) HB3 GLU 97 - HA GLU 128 OK 14 65 - 22 - 2.9/4082=5, ~4093=2...(9) Peak 4081 from cnoeabs.peaks (2.37, 4.20, 59.03 ppm; 4.07 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 128 + HA GLU 128 OK 100 100 - 100 - 3.9=100 HG2 GLN 104 - HA GLU 128 OK 41 81 - 51 - 4100/3.0=12, 4092/3.0=10...(15) Peak 4082 from cnoeabs.peaks (2.42, 4.20, 59.03 ppm; 4.11 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLU 128 + HA GLU 128 OK 100 100 - 100 - 3.9=100 HG3 GLU 97 - HA GLU 128 OK 31 100 - 31 - 4093/3.0=8, 4101/3.0=7...(9) HG2 GLN 101 - HA GLU 128 OK 18 99 - 18 - 4101/3.0=5, 4093/3.0=5...(5) HG3 GLN 61 - HA GLU 128 lone 3 73 - 4 - 7854/2.9=1 Peak 4083 from cnoeabs.peaks (8.00, 4.20, 59.03 ppm; 4.98 A): 2 out of 3 assignments used, quality = 1.00: * H ILE 129 + HA GLU 128 OK 100 100 - 100 - 3.6=100 H VAL 57 + HA GLU 128 OK 48 96 - 50 - 7855/2.9=11, 4094/3.0=10...(11) H LYS 36 - HA GLU 128 OK 15 81 - 18 - 4102/3.0=3, 7855/2.9=3...(6) Peak 4084 from cnoeabs.peaks (8.27, 4.20, 59.03 ppm; 4.41 A): 3 out of 4 assignments used, quality = 0.89: * H ASP 131 + HA GLU 128 OK 86 100 - 86 - 7895=39, 3.8/4086=28...(9) H LEU 96 + HA GLU 128 OK 17 96 - 18 - 7875/3.6=7, 9985/4085=4...(5) H GLU 40 + HA GLU 128 OK 12 57 - 21 - 4.6/4077=6, 4.7/4079=3...(7) H GLU 30 - HA GLU 128 lone 2 73 - 2 - Peak 4085 from cnoeabs.peaks (2.77, 4.20, 59.03 ppm; 4.20 A): 2 out of 2 assignments used, quality = 0.82: * HB2 ASP 131 + HA GLU 128 OK 78 100 - 78 - 1.8/4086=38, 4195=36...(6) HB3 ASN 13 + HA GLU 128 OK 17 100 - 16 - ~10448=9, 10450/3.9=4...(4) Peak 4086 from cnoeabs.peaks (2.87, 4.20, 59.03 ppm; 4.15 A): 1 out of 2 assignments used, quality = 0.77: * HB3 ASP 131 + HA GLU 128 OK 77 100 - 78 - 4201=35, 1.8/4085=31...(7) HB3 ASN 59 - HA GLU 128 lone 1 65 - 2 - Peak 4087 from cnoeabs.peaks (4.35, 2.08, 28.41 ppm; 4.27 A): 2 out of 2 assignments used, quality = 0.88: * HA CYS 125 + HB2 GLU 128 OK 78 100 - 78 - 4095/1.8=24, 7839/3.6=23...(8) HA GLN 134 + HB2 GLU 128 OK 46 99 - 47 - 4095/1.8=11, 4262=9...(12) Peak 4088 from cnoeabs.peaks (7.88, 2.08, 28.41 ppm; 3.60 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 128 + HB2 GLU 128 OK 100 100 - 100 - 3.6=100 H ALA 41 - HB2 GLU 128 OK 28 87 - 32 - 4096/1.8=8, 4077/3.0=6...(7) Peak 4089 from cnoeabs.peaks (4.20, 2.08, 28.41 ppm; 3.85 A): 1 out of 5 assignments used, quality = 1.00: * HA GLU 128 + HB2 GLU 128 OK 100 100 - 100 - 3.0=100 HA VAL 105 - HB2 GLU 128 OK 42 87 - 48 - ~11624=15, 4097/1.8=10...(12) HB THR 18 - HB2 GLU 128 lone 8 98 - 8 - 4097/1.8=2, 4111/3.0=1...(4) HA ALA 88 - HB2 GLU 128 lone 7 81 - 8 - 4097/1.8=2, 4111/3.0=1 HB THR 25 - HB2 GLU 128 lone 6 92 - 7 - 4097/1.8=1, 4111/3.0=1 Peak 4090 from cnoeabs.peaks (2.08, 2.08, 28.41 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 128 + HB2 GLU 128 OK 100 100 - 100 Peak 4091 from cnoeabs.peaks (2.22, 2.08, 28.41 ppm; 2.85 A): 1 out of 8 assignments used, quality = 1.00: * HB3 GLU 128 + HB2 GLU 128 OK 100 100 - 100 - 1.8=100 HB3 GLU 102 - HB2 GLU 128 OK 42 96 - 45 - 3343=10, 3.0/3350=4...(18) HB3 GLN 104 - HB2 GLU 128 OK 33 98 - 34 - 3436/3.0=5, 3.0/4092=5...(14) HB3 GLN 127 - HB2 GLU 128 OK 25 100 - 25 - 4058/3.6=10, 4080/3.0=3...(9) HB3 GLU 97 - HB2 GLU 128 OK 13 65 - 20 - 2.9/4093=4...(9) HG2 GLN 68 - HB2 GLU 128 OK 10 87 - 12 - 2152/1.8=2 HG2 GLU 91 - HB2 GLU 128 OK 10 99 - 10 - ~2887=1, ~2865=1...(5) HB2 GLN 68 - HB2 GLU 128 OK 10 87 - 12 - 2135/1.8=2, ~2143=1, ~2145=1 Peak 4092 from cnoeabs.peaks (2.37, 2.08, 28.41 ppm; 3.15 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 128 + HB2 GLU 128 OK 100 100 - 100 - 3.0=100 HG2 GLN 104 - HB2 GLU 128 OK 36 81 - 44 - 4100/1.8=11, 4114/3.0=5...(17) Peak 4093 from cnoeabs.peaks (2.42, 2.08, 28.41 ppm; 3.24 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLU 128 + HB2 GLU 128 OK 100 100 - 100 - 3.0=100 HG3 GLU 97 - HB2 GLU 128 OK 31 100 - 31 - 4101/1.8=7...(12) HG2 GLN 101 - HB2 GLU 128 OK 19 99 - 19 - 4101/1.8=4, 4108/3.0=2...(9) HG3 GLN 61 - HB2 GLU 128 lone 2 73 - 3 - Peak 4094 from cnoeabs.peaks (8.00, 2.08, 28.41 ppm; 4.24 A): 2 out of 3 assignments used, quality = 0.97: * H ILE 129 + HB2 GLU 128 OK 95 100 - 95 - 4.5=84, 7862/3.6=23...(8) H VAL 57 + HB2 GLU 128 OK 37 96 - 38 - 4102/1.8=9, 4116/3.0=8...(7) H LYS 36 - HB2 GLU 128 OK 10 81 - 12 - 4102/1.8=3, 4116/3.0=2...(5) Peak 4095 from cnoeabs.peaks (4.35, 2.22, 28.41 ppm; 4.60 A): 2 out of 2 assignments used, quality = 0.90: * HA CYS 125 + HB3 GLU 128 OK 84 100 - 84 - 4087/1.8=27, 7839/3.6=26...(11) HA GLN 134 + HB3 GLU 128 OK 38 99 - 38 - 4087/1.8=16, 7839/3.6=7...(7) Peak 4096 from cnoeabs.peaks (7.88, 2.22, 28.41 ppm; 3.46 A): 1 out of 2 assignments used, quality = 0.97: * H GLU 128 + HB3 GLU 128 OK 97 100 - 97 - 3.6=89, 4088/1.8=27...(11) H ALA 41 - HB3 GLU 128 OK 25 87 - 29 - 4088/1.8=7, 4077/3.0=6...(6) Peak 4097 from cnoeabs.peaks (4.20, 2.22, 28.41 ppm; 3.78 A): 2 out of 5 assignments used, quality = 1.00: * HA GLU 128 + HB3 GLU 128 OK 100 100 - 100 - 3.0=100 HA VAL 105 + HB3 GLU 128 OK 45 87 - 53 - 3.2/11624=21, 4089/1.8=9...(12) HA ALA 88 - HB3 GLU 128 poor 9 81 - 11 - 4089/1.8=2, 4111/3.0=1 HB THR 18 - HB3 GLU 128 lone 9 98 - 8 - 4089/1.8=2, 4111/3.0=1...(4) HB THR 25 - HB3 GLU 128 lone 6 92 - 7 - 4089/1.8=1, 4111/3.0=1 Peak 4098 from cnoeabs.peaks (2.08, 2.22, 28.41 ppm; 2.89 A): 1 out of 7 assignments used, quality = 1.00: * HB2 GLU 128 + HB3 GLU 128 OK 100 100 - 100 - 1.8=100 HB2 GLU 102 - HB3 GLU 128 OK 45 100 - 45 - 3336=10, ~3343=4...(19) HB3 LYS 39 - HB3 GLU 128 OK 19 99 - 19 - 4112/3.0=3, ~11627=2...(11) HG3 GLN 134 - HB3 GLU 128 OK 15 100 - 15 - 4.1/4095=3, ~4291=2...(9) HB VAL 57 - HB3 GLU 128 lone 6 65 - 9 - 4.0/4102=3, 7864/4.5=1 HB3 GLU 44 - HB3 GLU 128 lone 6 98 - 5 - HG3 PRO 58 - HB3 GLU 128 lone 2 65 - 2 - Peak 4099 from cnoeabs.peaks (2.22, 2.22, 28.41 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 128 + HB3 GLU 128 OK 100 100 - 100 Peak 4100 from cnoeabs.peaks (2.37, 2.22, 28.41 ppm; 3.27 A): 2 out of 2 assignments used, quality = 1.00: * HG2 GLU 128 + HB3 GLU 128 OK 100 100 - 100 - 3.0=100 HG2 GLN 104 + HB3 GLU 128 OK 48 81 - 60 - 4092/1.8=10, 1.8/3453=9...(24) Peak 4101 from cnoeabs.peaks (2.42, 2.22, 28.41 ppm; 3.27 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLU 128 + HB3 GLU 128 OK 100 100 - 100 - 3.0=100 HG3 GLU 97 - HB3 GLU 128 OK 29 100 - 29 - 4093/1.8=7, 4082/3.0=4...(11) HG2 GLN 101 - HB3 GLU 128 OK 19 99 - 19 - 4093/1.8=4, 3.8/3284=3...(8) HG3 GLN 61 - HB3 GLU 128 lone 3 73 - 3 - Peak 4102 from cnoeabs.peaks (8.00, 2.22, 28.41 ppm; 4.53 A): 1 out of 3 assignments used, quality = 1.00: * H ILE 129 + HB3 GLU 128 OK 100 100 - 100 - 4.5=100 H VAL 57 - HB3 GLU 128 OK 40 96 - 41 - 4094/1.8=11, 4116/3.0=9...(7) H LYS 36 - HB3 GLU 128 OK 12 81 - 14 - 4094/1.8=3, 4116/3.0=3...(5) Peak 4103 from cnoeabs.peaks (7.88, 2.37, 34.22 ppm; 3.32 A): 2 out of 2 assignments used, quality = 0.84: * H GLU 128 + HG2 GLU 128 OK 80 100 - 80 - 4.6=38, 4110/1.8=23...(10) H ALA 41 + HG2 GLU 128 OK 19 87 - 21 - 4110/1.8=6, 4088/3.0=5...(5) Peak 4104 from cnoeabs.peaks (4.20, 2.37, 34.22 ppm; 3.42 A): 2 out of 5 assignments used, quality = 0.94: * HA GLU 128 + HG2 GLU 128 OK 92 100 - 92 - 3.9=69, 2.9/4103=22...(13) HA VAL 105 + HG2 GLU 128 OK 27 87 - 31 - ~11624=8, 4111/1.8=7...(7) HB THR 18 - HG2 GLU 128 lone 5 98 - 5 - 4111/1.8=2, 4097/3.0=1 HB THR 25 - HG2 GLU 128 lone 4 92 - 4 - 4111/1.8=1 HA ALA 88 - HG2 GLU 128 lone 4 81 - 4 - 4097/3.0=1, 4111/1.8=1 Peak 4105 from cnoeabs.peaks (2.08, 2.37, 34.22 ppm; 3.05 A): 1 out of 7 assignments used, quality = 1.00: * HB2 GLU 128 + HG2 GLU 128 OK 100 100 - 100 - 3.0=100 HB2 GLU 102 - HG2 GLU 128 OK 33 100 - 33 - 4112/1.8=6, 4098/3.0=6...(14) HB3 LYS 39 - HG2 GLU 128 OK 18 99 - 19 - ~11627=5, 4112/1.8=4...(9) HG3 GLN 134 - HG2 GLU 128 lone 10 100 - 10 - 4112/1.8=2, 4098/3.0=2...(5) HB VAL 57 - HG2 GLU 128 lone 5 65 - 8 - 4.0/4109=3, 4112/1.8=1 HB3 GLU 44 - HG2 GLU 128 lone 4 98 - 4 - HG3 PRO 58 - HG2 GLU 128 lone 1 65 - 2 - Peak 4106 from cnoeabs.peaks (2.22, 2.37, 34.22 ppm; 2.60 A): 4 out of 8 assignments used, quality = 0.89: * HB3 GLU 128 + HG2 GLU 128 OK 76 100 - 76 - 3.0=66, 3.0/4104=10...(5) HB3 GLN 104 + HG2 GLU 128 OK 30 98 - 30 - 3436=4, 4113/1.8=4...(16) HB3 GLU 102 + HG2 GLU 128 OK 22 96 - 24 - 1.8/4105=5, 3343/3.0=4...(8) HB3 GLN 127 + HG2 GLU 128 OK 16 100 - 16 - 4.7/4103=6, 4113/1.8=2...(5) HB3 GLU 97 - HG2 GLU 128 poor 8 65 - 13 - 2.9/4108=2, ~3123=2, 4113/1.8=2 HB2 GLN 68 - HG2 GLU 128 lone 6 87 - 7 - HG2 GLN 68 - HG2 GLU 128 lone 6 87 - 6 - HG2 GLU 91 - HG2 GLU 128 lone 5 99 - 5 - Peak 4107 from cnoeabs.peaks (2.37, 2.37, 34.22 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 128 + HG2 GLU 128 OK 100 100 - 100 Peak 4108 from cnoeabs.peaks (2.42, 2.37, 34.22 ppm; 2.50 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLU 128 + HG2 GLU 128 OK 100 100 - 100 - 1.8=100 HG3 GLU 97 - HG2 GLU 128 OK 14 100 - 14 - 4093/3.0=3, 4101/3.0=3...(6) HG2 GLN 101 - HG2 GLU 128 lone 9 99 - 9 - 4101/3.0=2, 4093/3.0=2...(5) HG3 GLN 61 - HG2 GLU 128 lone 1 73 - 1 - Peak 4109 from cnoeabs.peaks (8.00, 2.37, 34.22 ppm; 4.63 A): 3 out of 3 assignments used, quality = 0.93: * H ILE 129 + HG2 GLU 128 OK 86 100 - 86 - 4.2/4103=28, 3.6/4104=26...(8) H VAL 57 + HG2 GLU 128 OK 40 96 - 42 - 4116/1.8=12, 4094/3.0=9...(9) H LYS 36 + HG2 GLU 128 OK 12 81 - 14 - 4116/1.8=4, 4102/3.0=3...(5) Peak 4110 from cnoeabs.peaks (7.88, 2.42, 34.22 ppm; 3.80 A): 2 out of 2 assignments used, quality = 0.94: * H GLU 128 + HG3 GLU 128 OK 92 100 - 92 - 4.6=58, 4103/1.8=35...(11) H ALA 41 + HG3 GLU 128 OK 25 87 - 28 - 4103/1.8=8, 4088/3.0=7...(6) Peak 4111 from cnoeabs.peaks (4.20, 2.42, 34.22 ppm; 3.65 A): 1 out of 5 assignments used, quality = 0.97: * HA GLU 128 + HG3 GLU 128 OK 97 100 - 97 - 3.9=84, 4104/1.8=28...(18) HA VAL 105 - HG3 GLU 128 OK 31 87 - 36 - ~11624=9, 4104/1.8=8...(7) HB THR 18 - HG3 GLU 128 lone 7 98 - 7 - 4104/1.8=2, 4097/3.0=1 HB THR 25 - HG3 GLU 128 lone 5 92 - 5 - 4104/1.8=1, 4089/3.0=1 HA ALA 88 - HG3 GLU 128 lone 5 81 - 6 - 4097/3.0=1, 4089/3.0=1 Peak 4112 from cnoeabs.peaks (2.08, 2.42, 34.22 ppm; 3.17 A): 1 out of 7 assignments used, quality = 1.00: * HB2 GLU 128 + HG3 GLU 128 OK 100 100 - 100 - 3.0=100 HB2 GLU 102 - HG3 GLU 128 OK 37 100 - 38 - 4105/1.8=7, 4098/3.0=6...(15) HB3 LYS 39 - HG3 GLU 128 OK 23 99 - 23 - 2.9/11627=9, 4105/1.8=4...(9) HG3 GLN 134 - HG3 GLU 128 OK 12 100 - 12 - 4098/3.0=2, 4105/1.8=2...(7) HB VAL 57 - HG3 GLU 128 lone 6 65 - 9 - 4.0/4116=3, 4105/1.8=1 HB3 GLU 44 - HG3 GLU 128 lone 5 98 - 5 - HG3 PRO 58 - HG3 GLU 128 lone 1 65 - 2 - Peak 4113 from cnoeabs.peaks (2.22, 2.42, 34.22 ppm; 3.03 A): 1 out of 8 assignments used, quality = 1.00: * HB3 GLU 128 + HG3 GLU 128 OK 100 100 - 100 - 3.0=100 HB3 GLN 104 - HG3 GLU 128 OK 35 98 - 35 - 3436/1.8=8, ~3426=5...(14) HB3 GLU 102 - HG3 GLU 128 OK 33 96 - 35 - 1.8/4112=6, 3343/3.0=5...(14) HB3 GLN 127 - HG3 GLU 128 OK 22 100 - 22 - 4.7/4110=9, 4106/1.8=4...(5) HB3 GLU 97 - HG3 GLU 128 OK 16 65 - 24 - 1.8/3123=5, 2.9/3138=3...(11) HB2 GLN 68 - HG3 GLU 128 lone 9 87 - 10 - 4106/1.8=1, 2135/3.0=1 HG2 GLN 68 - HG3 GLU 128 lone 9 87 - 10 - 4106/1.8=1, 2152/3.0=1 HG2 GLU 91 - HG3 GLU 128 lone 7 99 - 7 - 4106/1.8=1, 4091/3.0=1 Peak 4114 from cnoeabs.peaks (2.37, 2.42, 34.22 ppm; 2.50 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 128 + HG3 GLU 128 OK 100 100 - 100 - 1.8=100 HG2 GLN 104 - HG3 GLU 128 OK 22 81 - 27 - 4100/3.0=5, 4092/3.0=4...(12) Peak 4115 from cnoeabs.peaks (2.42, 2.42, 34.22 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 128 + HG3 GLU 128 OK 100 100 - 100 Peak 4116 from cnoeabs.peaks (8.00, 2.42, 34.22 ppm; 4.56 A): 3 out of 3 assignments used, quality = 0.89: * H ILE 129 + HG3 GLU 128 OK 80 100 - 80 - 4109/1.8=24, 4.2/4110=24...(9) H VAL 57 + HG3 GLU 128 OK 37 96 - 39 - 4109/1.8=11, 4094/3.0=9...(7) H LYS 36 + HG3 GLU 128 OK 11 81 - 13 - 4109/1.8=3, 4102/3.0=3...(5) Peak 4117 from cnoeabs.peaks (8.00, 3.46, 66.06 ppm; 4.18 A): 1 out of 3 assignments used, quality = 1.00: * H ILE 129 + HA ILE 129 OK 100 100 - 100 - 2.9=100 H VAL 57 - HA ILE 129 OK 44 96 - 46 - 4128/3.0=9, 4136/3.2=8...(11) H LYS 36 - HA ILE 129 OK 12 81 - 15 - 4136/3.2=2, 4128/3.0=2...(7) Peak 4118 from cnoeabs.peaks (3.46, 3.46, 66.06 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ILE 129 + HA ILE 129 OK 100 100 - 100 Peak 4119 from cnoeabs.peaks (2.00, 3.46, 66.06 ppm; 4.56 A): 2 out of 9 assignments used, quality = 1.00: * HB ILE 129 + HA ILE 129 OK 100 100 - 100 - 3.0=100 HG2 PRO 81 + HA ILE 129 OK 68 96 - 71 - ~9714=16, ~11894=12...(19) HB3 PRO 56 - HA ILE 129 OK 44 99 - 44 - 3.9/4117=8, 1775/2.9=8...(18) HG3 PRO 56 - HA ILE 129 OK 32 92 - 35 - ~1775=5, 7869/2.9=4...(13) HG2 PRO 56 - HA ILE 129 OK 32 92 - 35 - ~1775=5, 7869/2.9=4...(13) HB3 LEU 53 - HA ILE 129 OK 12 65 - 18 - 7883/3.6=3, ~10475=2...(10) HB3 PRO 117 - HA ILE 129 OK 10 87 - 11 - 4138/3.2=1, ~11195=1 HB2 GLU 91 - HA ILE 129 poor 10 73 - 13 - 2860/5.0=3, 7869/2.9=1...(5) HB VAL 20 - HA ILE 129 lone 8 100 - 8 - 7883/3.6=1 Peak 4120 from cnoeabs.peaks (0.82, 3.46, 66.06 ppm; 3.62 A): 3 out of 4 assignments used, quality = 1.00: * QG2 ILE 129 + HA ILE 129 OK 100 100 - 100 - 3.2=100 HG13 ILE 80 + HA ILE 129 OK 71 99 - 72 - 2.1/10485=23, 2467/3.2=9...(24) QG2 ILE 80 + HA ILE 129 OK 49 73 - 67 - 3.1/10485=19, 2.1/4122=8...(24) QD1 LEU 70 - HA ILE 129 OK 29 98 - 30 - 7884/3.6=5, 4.3/4125=3...(13) Peak 4121 from cnoeabs.peaks (0.75, 3.46, 66.06 ppm; 4.05 A): 1 out of 5 assignments used, quality = 1.00: * HG12 ILE 129 + HA ILE 129 OK 100 100 - 100 - 3.7=100 QG1 VAL 93 - HA ILE 129 OK 44 100 - 44 - 4140/3.2=10, 4132/3.0=8...(9) QD2 LEU 43 - HA ILE 129 OK 29 92 - 31 - 11091/3.6=11, 4140/3.2=6...(8) QD2 LEU 96 - HA ILE 129 OK 25 100 - 25 - 4140/3.2=5, 4132/3.0=4...(8) QD2 LEU 103 - HA ILE 129 lone 5 65 - 7 - 10580/7923=3, 11721/11927=2 Peak 4122 from cnoeabs.peaks (1.74, 3.46, 66.06 ppm; 4.17 A): 2 out of 6 assignments used, quality = 1.00: * HG13 ILE 129 + HA ILE 129 OK 100 100 - 100 - 3.7=100 HB ILE 80 + HA ILE 129 OK 62 81 - 77 - 3.2/10485=26...(20) HB2 LYS 26 - HA ILE 129 OK 25 87 - 29 - 3.0/10478=6, 7872/2.9=4...(11) HB2 LYS 31 - HA ILE 129 OK 12 100 - 12 - 4141/3.2=2, 7872/2.9=2...(7) HB2 LYS 24 - HA ILE 129 lone 9 98 - 8 - 10738/10477=1, 7872/2.9=1 HB2 LYS 19 - HA ILE 129 lone 8 87 - 9 - 7886/3.6=2...(3) Peak 4123 from cnoeabs.peaks (0.64, 3.46, 66.06 ppm; 4.07 A): 2 out of 2 assignments used, quality = 0.99: * QD1 ILE 129 + HA ILE 129 OK 99 100 - 99 - 4.2=94, 4142/3.2=25...(18) QD1 LEU 42 + HA ILE 129 OK 53 81 - 66 - ~10486=19, 9083/3.2=18...(11) Peak 4124 from cnoeabs.peaks (8.04, 3.46, 66.06 ppm; 3.99 A): 1 out of 7 assignments used, quality = 1.00: * H SER 130 + HA ILE 129 OK 100 100 - 100 - 3.6=100 H CYS 79 - HA ILE 129 OK 26 73 - 36 - 9700/3.7=10, 9698/3.2=6...(8) H CYS 125 - HA ILE 129 OK 19 73 - 25 - ~7858=5, 7874/2.9=5...(7) H TYR 76 - HA ILE 129 OK 16 73 - 22 - 9611/10479=5, 9609/4.2=4...(10) H ALA 52 - HA ILE 129 OK 13 81 - 16 - 4143/3.2=3, 4135/3.0=3...(7) H ALA 16 - HA ILE 129 OK 13 92 - 14 - 4143/3.2=2, 4135/3.0=2...(8) H LEU 48 - HA ILE 129 lone 2 57 - 4 - Peak 4125 from cnoeabs.peaks (8.47, 3.46, 66.06 ppm; 5.44 A): 1 out of 2 assignments used, quality = 0.95: * H VAL 132 + HA ILE 129 OK 95 100 - 95 - 7909=50, 3.8/4213=38...(11) H LEU 70 - HA ILE 129 OK 40 81 - 50 - ~11632=10, 7892/3.6=8...(14) Peak 4126 from cnoeabs.peaks (2.28, 3.46, 66.06 ppm; 4.41 A): 1 out of 5 assignments used, quality = 0.75: * HB VAL 132 + HA ILE 129 OK 75 100 - 75 - 4213=50, 3.8/7909=26...(6) HB3 PRO 113 - HA ILE 129 poor 9 87 - 10 - ~10143=7, 7917/7909=1 HG2 GLU 97 - HA ILE 129 lone 4 65 - 6 - ~7867=3, 7929/7923=1 HG2 GLN 61 - HA ILE 129 lone 3 100 - 3 - HG2 GLU 30 - HA ILE 129 lone 3 81 - 3 - 7917/7909=1 Peak 4127 from cnoeabs.peaks (3.43, 2.00, 38.15 ppm; 4.49 A): 1 out of 1 assignment used, quality = 0.91: * HA VAL 126 + HB ILE 129 OK 91 100 - 91 - 11631/2.1=46...(10) Peak 4128 from cnoeabs.peaks (8.00, 2.00, 38.15 ppm; 3.74 A): 1 out of 3 assignments used, quality = 0.99: * H ILE 129 + HB ILE 129 OK 99 100 - 99 - 3.8=97, 4136/2.1=23...(10) H VAL 57 - HB ILE 129 OK 40 96 - 42 - 4136/2.1=9, 6699=8...(11) H LYS 36 - HB ILE 129 poor 10 81 - 11 - 4136/2.1=3, 4160/3.2=2...(5) Peak 4129 from cnoeabs.peaks (3.46, 2.00, 38.15 ppm; 4.48 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 129 + HB ILE 129 OK 100 100 - 100 - 3.0=100 Peak 4130 from cnoeabs.peaks (2.00, 2.00, 38.15 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 129 + HB ILE 129 OK 100 100 - 100 Peak 4131 from cnoeabs.peaks (0.82, 2.00, 38.15 ppm; 4.02 A): 3 out of 4 assignments used, quality = 1.00: * QG2 ILE 129 + HB ILE 129 OK 100 100 - 100 - 2.1=100 HG13 ILE 80 + HB ILE 129 OK 86 99 - 86 - ~10485=16, 2467/2.1=12...(30) QG2 ILE 80 + HB ILE 129 OK 62 73 - 85 - ~10485=12, 3.2/11168=10...(34) QD1 LEU 70 - HB ILE 129 OK 28 98 - 29 - 4163/3.2=5, 7884/4.6=4...(10) Peak 4132 from cnoeabs.peaks (0.75, 2.00, 38.15 ppm; 4.20 A): 2 out of 5 assignments used, quality = 1.00: * HG12 ILE 129 + HB ILE 129 OK 100 100 - 100 - 2.9=100 QG1 VAL 93 + HB ILE 129 OK 78 100 - 78 - ~10487=20, 4140/2.1=13...(15) QD2 LEU 43 - HB ILE 129 OK 45 92 - 49 - ~11635=14, 11091/4.6=10...(11) QD2 LEU 96 - HB ILE 129 OK 42 100 - 42 - ~10492=6, ~11354=6...(12) QD2 LEU 103 - HB ILE 129 lone 4 65 - 5 - Peak 4133 from cnoeabs.peaks (1.74, 2.00, 38.15 ppm; 5.31 A): 2 out of 6 assignments used, quality = 1.00: * HG13 ILE 129 + HB ILE 129 OK 100 100 - 100 - 2.9=100 HB ILE 80 + HB ILE 129 OK 77 81 - 96 - ~10485=22, 3.0/11168=16...(29) HB2 LYS 26 - HB ILE 129 OK 37 87 - 43 - ~10483=6, 4149/2.9=6...(11) HB2 LYS 31 - HB ILE 129 OK 16 100 - 16 - 4122/3.0=2, 4141/2.1=2...(6) HB2 LYS 24 - HB ILE 129 OK 11 98 - 11 - 4122/3.0=2, 4149/2.9=2...(6) HB2 LYS 19 - HB ILE 129 OK 11 87 - 13 - 7886/4.6=2, 4122/3.0=2...(7) Peak 4134 from cnoeabs.peaks (0.64, 2.00, 38.15 ppm; 4.29 A): 2 out of 2 assignments used, quality = 1.00: * QD1 ILE 129 + HB ILE 129 OK 100 100 - 100 - 3.2=100 QD1 LEU 42 + HB ILE 129 OK 63 81 - 78 - ~10486=29, 9083/2.1=25...(12) Peak 4135 from cnoeabs.peaks (8.04, 2.00, 38.15 ppm; 3.92 A): 2 out of 7 assignments used, quality = 0.92: * H SER 130 + HB ILE 129 OK 89 100 - 89 - 4.6=63, 7881/3.8=23...(11) H CYS 79 + HB ILE 129 OK 22 73 - 31 - 9700/2.9=12, 9698/2.1=7...(6) H CYS 125 - HB ILE 129 OK 20 73 - 28 - ~10379=9, 4167/3.2=5...(7) H ALA 52 - HB ILE 129 OK 15 81 - 18 - 2.9/9238=4, 4143/2.1=3...(7) H TYR 76 - HB ILE 129 OK 13 73 - 17 - 9609/3.2=5, 4143/2.1=3...(8) H ALA 16 - HB ILE 129 OK 11 92 - 11 - 4143/2.1=3, 4124/3.0=2...(6) H LEU 48 - HB ILE 129 lone 2 57 - 4 - 4167/3.2=1 Peak 4136 from cnoeabs.peaks (8.00, 0.82, 16.92 ppm; 3.76 A): 1 out of 3 assignments used, quality = 0.96: * H ILE 129 + QG2 ILE 129 OK 96 100 - 96 - 4.0=82, 4128/2.1=23...(13) H VAL 57 - QG2 ILE 129 OK 37 96 - 38 - 4128/2.1=9, 4160/3.0=7...(9) H LYS 36 - QG2 ILE 129 OK 10 81 - 12 - 4160/3.0=2, 4128/2.1=2...(6) Peak 4137 from cnoeabs.peaks (3.46, 0.82, 16.92 ppm; 3.44 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 129 + QG2 ILE 129 OK 100 100 - 100 - 3.2=100 Peak 4138 from cnoeabs.peaks (2.00, 0.82, 16.92 ppm; 3.50 A): 2 out of 9 assignments used, quality = 1.00: * HB ILE 129 + QG2 ILE 129 OK 100 100 - 100 - 2.1=100 HG2 PRO 81 + QG2 ILE 129 OK 61 96 - 64 - 2.3/9714=14...(20) HB3 PRO 56 - QG2 ILE 129 OK 27 99 - 27 - 3.9/4136=5, 1775/4.0=4...(8) HG3 PRO 56 - QG2 ILE 129 OK 17 92 - 18 - 7869/4.0=2, 4119/3.2=2...(9) HG2 PRO 56 - QG2 ILE 129 OK 17 92 - 18 - 7869/4.0=2, 4119/3.2=2...(9) HB3 LEU 53 - QG2 ILE 129 OK 12 65 - 19 - ~11637=4, 4007/11631=2...(8) HB3 PRO 117 - QG2 ILE 129 poor 9 87 - 11 - 11891/9714=1, 2.3/11195=1 HB2 GLU 91 - QG2 ILE 129 lone 7 73 - 9 - ~11638=1, 4007/11631=1 HB VAL 20 - QG2 ILE 129 lone 5 100 - 5 - Peak 4139 from cnoeabs.peaks (0.82, 0.82, 16.92 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 129 + QG2 ILE 129 OK 100 100 - 100 Peak 4140 from cnoeabs.peaks (0.75, 0.82, 16.92 ppm; 2.82 A): 4 out of 5 assignments used, quality = 0.94: * HG12 ILE 129 + QG2 ILE 129 OK 82 100 - 82 - 3.2=69, 2.1/4142=18...(11) QG1 VAL 93 + QG2 ILE 129 OK 46 100 - 46 - ~10487=8, 4164/3.0=6...(17) QD2 LEU 43 + QG2 ILE 129 OK 25 92 - 28 - ~11635=6, 11091/4.2=4...(12) QD2 LEU 96 + QG2 ILE 129 OK 21 100 - 21 - 4164/3.0=3, ~10492=2...(10) QD2 LEU 103 - QG2 ILE 129 lone 1 65 - 2 - Peak 4141 from cnoeabs.peaks (1.74, 0.82, 16.92 ppm; 3.41 A): 2 out of 6 assignments used, quality = 1.00: * HG13 ILE 129 + QG2 ILE 129 OK 100 100 - 100 - 3.2=100 HB ILE 80 + QG2 ILE 129 OK 58 81 - 72 - 2.1/2455=14, 3.0/2462=9...(27) HB2 LYS 26 - QG2 ILE 129 OK 19 87 - 22 - 3.0/10481=4, 4165/3.0=3...(9) HB2 LYS 31 - QG2 ILE 129 lone 9 100 - 9 - 4122/3.2=1, 4.6/11632=1 HB2 LYS 24 - QG2 ILE 129 lone 5 98 - 5 - HB2 LYS 19 - QG2 ILE 129 lone 5 87 - 5 - Peak 4142 from cnoeabs.peaks (0.64, 0.82, 16.92 ppm; 2.99 A): 2 out of 2 assignments used, quality = 0.99: * QD1 ILE 129 + QG2 ILE 129 OK 99 100 - 99 - 3.0=97, 4161/3.2=19...(13) QD1 LEU 42 + QG2 ILE 129 OK 49 81 - 60 - 2.1/10486=27, 9083=16...(13) Peak 4143 from cnoeabs.peaks (8.04, 0.82, 16.92 ppm; 3.51 A): 6 out of 7 assignments used, quality = 0.93: * H SER 130 + QG2 ILE 129 OK 85 100 - 85 - 4.2=57, 7881/4.0=17...(12) H CYS 79 + QG2 ILE 129 OK 24 73 - 32 - 9700/3.2=9, 9698=6...(9) H CYS 125 + QG2 ILE 129 OK 17 73 - 24 - ~10379=7, 4167/3.0=4...(7) H ALA 52 + QG2 ILE 129 OK 14 81 - 17 - 4135/2.1=2, ~9238=2...(10) H ALA 16 + QG2 ILE 129 OK 11 92 - 12 - 4135/2.1=2, 4124/3.2=2...(6) H TYR 76 + QG2 ILE 129 OK 11 73 - 15 - 9609/3.0=4, 9609/9083=2...(7) H LEU 48 - QG2 ILE 129 lone 2 57 - 4 - Peak 4144 from cnoeabs.peaks (8.00, 0.75, 30.23 ppm; 5.30 A): 2 out of 3 assignments used, quality = 1.00: * H ILE 129 + HG12 ILE 129 OK 100 100 - 100 - 4.8=100 H VAL 57 + HG12 ILE 129 OK 51 96 - 53 - 4152/1.8=13, 4128/2.9=12...(8) H LYS 36 - HG12 ILE 129 OK 16 81 - 19 - 4160/2.1=4, 4152/1.8=4...(5) Peak 4145 from cnoeabs.peaks (3.46, 0.75, 30.23 ppm; 5.07 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 129 + HG12 ILE 129 OK 100 100 - 100 - 3.7=100 Peak 4146 from cnoeabs.peaks (2.00, 0.75, 30.23 ppm; 5.68 A): 3 out of 9 assignments used, quality = 1.00: * HB ILE 129 + HG12 ILE 129 OK 100 100 - 100 - 2.9=100 HG2 PRO 81 + HG12 ILE 129 OK 84 96 - 88 - ~9714=26, ~10492=19...(19) HB3 PRO 56 + HG12 ILE 129 OK 49 99 - 49 - 3.9/4144=10, 1775/4.8=9...(15) HG3 PRO 56 - HG12 ILE 129 OK 32 92 - 35 - ~4154=5, ~4162=4...(13) HG2 PRO 56 - HG12 ILE 129 OK 32 92 - 35 - ~4154=5, ~4162=4...(13) HB3 LEU 53 - HG12 ILE 129 OK 24 65 - 36 - ~11637=13, ~10489=7...(12) HB2 GLU 91 - HG12 ILE 129 OK 19 73 - 25 - 4.6/9934=9, ~11638=5...(11) HB3 PRO 117 - HG12 ILE 129 OK 14 87 - 15 - ~11195=2, 4138/3.2=2...(9) HB VAL 20 - HG12 ILE 129 OK 10 100 - 10 - ~338=1, 4154/1.8=1...(6) Peak 4147 from cnoeabs.peaks (0.82, 0.75, 30.23 ppm; 4.26 A): 3 out of 4 assignments used, quality = 1.00: * QG2 ILE 129 + HG12 ILE 129 OK 100 100 - 100 - 3.2=100 HG13 ILE 80 + HG12 ILE 129 OK 81 99 - 81 - 4163/2.1=12, 4155/1.8=11...(25) QG2 ILE 80 + HG12 ILE 129 OK 58 73 - 80 - 2.1/4149=10, 4163/2.1=8...(27) QD1 LEU 70 - HG12 ILE 129 OK 31 98 - 32 - 4163/2.1=6, 4155/1.8=4...(13) Peak 4148 from cnoeabs.peaks (0.75, 0.75, 30.23 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 129 + HG12 ILE 129 OK 100 100 - 100 Peak 4149 from cnoeabs.peaks (1.74, 0.75, 30.23 ppm; 4.49 A): 2 out of 6 assignments used, quality = 1.00: * HG13 ILE 129 + HG12 ILE 129 OK 100 100 - 100 - 1.8=100 HB ILE 80 + HG12 ILE 129 OK 66 81 - 83 - 4165/2.1=12, 4141/3.2=12...(24) HB2 LYS 26 - HG12 ILE 129 OK 30 87 - 34 - 3.0/10483=7, ~10491=5...(10) HB2 LYS 31 - HG12 ILE 129 OK 12 100 - 12 - 4141/3.2=2, 4165/2.1=2...(5) HB2 LYS 24 - HG12 ILE 129 lone 8 98 - 8 - 4165/2.1=1, 4122/3.7=1...(4) HB2 LYS 19 - HG12 ILE 129 lone 7 87 - 8 - 4133/2.9=1, 4122/3.7=1 Peak 4150 from cnoeabs.peaks (0.64, 0.75, 30.23 ppm; 4.31 A): 2 out of 2 assignments used, quality = 1.00: * QD1 ILE 129 + HG12 ILE 129 OK 100 100 - 100 - 2.1=100 QD1 LEU 42 + HG12 ILE 129 OK 61 81 - 76 - ~10486=22, 9083/3.2=20...(14) Peak 4151 from cnoeabs.peaks (8.04, 0.75, 30.23 ppm; 5.46 A): 3 out of 7 assignments used, quality = 0.96: * H SER 130 + HG12 ILE 129 OK 90 100 - 90 - 7887/2.1=32, 7881/4.8=31...(12) H CYS 125 + HG12 ILE 129 OK 38 73 - 52 - ~10379=23, 3.9/10382=8...(8) H CYS 79 + HG12 ILE 129 OK 36 73 - 49 - 9700/1.8=22, 9698/3.2=10...(8) H ALA 52 - HG12 ILE 129 OK 22 81 - 27 - 10963/3.2=5, ~9238=4...(8) H TYR 76 - HG12 ILE 129 OK 21 73 - 29 - 9609/2.1=10, 4159/1.8=4...(8) H ALA 16 - HG12 ILE 129 OK 18 92 - 19 - 4159/1.8=3, 4143/3.2=3...(6) H LEU 48 - HG12 ILE 129 lone 4 57 - 6 - 4167/2.1=2 Peak 4152 from cnoeabs.peaks (8.00, 1.74, 30.23 ppm; 4.82 A): 2 out of 3 assignments used, quality = 1.00: * H ILE 129 + HG13 ILE 129 OK 100 100 - 100 - 4.8=99, 7873/2.1=33...(13) H VAL 57 + HG13 ILE 129 OK 46 96 - 48 - 4160/2.1=11, 4128/2.9=11...(8) H LYS 36 - HG13 ILE 129 OK 14 81 - 17 - 4160/2.1=4, 4144/1.8=3...(5) Peak 4153 from cnoeabs.peaks (3.46, 1.74, 30.23 ppm; 4.83 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 129 + HG13 ILE 129 OK 100 100 - 100 - 3.7=100 Peak 4154 from cnoeabs.peaks (2.00, 1.74, 30.23 ppm; 4.33 A): 2 out of 9 assignments used, quality = 1.00: * HB ILE 129 + HG13 ILE 129 OK 100 100 - 100 - 2.9=100 HG2 PRO 81 + HG13 ILE 129 OK 68 96 - 72 - ~9714=15, ~10492=12...(19) HB3 PRO 56 - HG13 ILE 129 OK 34 99 - 34 - 3.9/4152=6, 1775/4.8=5...(13) HG3 PRO 56 - HG13 ILE 129 OK 21 92 - 23 - ~4162=3, 4162/2.1=3...(8) HG2 PRO 56 - HG13 ILE 129 OK 21 92 - 23 - ~4162=3, 4162/2.1=3...(8) HB3 LEU 53 - HG13 ILE 129 OK 16 65 - 24 - ~11637=9, ~10489=4...(8) HB3 PRO 117 - HG13 ILE 129 poor 9 87 - 10 - 4138/3.2=1, 4162/2.1=1, ~11195=1 HB2 GLU 91 - HG13 ILE 129 poor 9 73 - 12 - ~11638=3, 4162/2.1=1...(4) HB VAL 20 - HG13 ILE 129 lone 7 100 - 7 - Peak 4155 from cnoeabs.peaks (0.82, 1.74, 30.23 ppm; 4.38 A): 3 out of 4 assignments used, quality = 1.00: * QG2 ILE 129 + HG13 ILE 129 OK 100 100 - 100 - 3.2=100 HG13 ILE 80 + HG13 ILE 129 OK 84 99 - 85 - 4147/1.8=12, 4163/2.1=12...(31) QG2 ILE 80 + HG13 ILE 129 OK 61 73 - 83 - 4147/1.8=9, 4163/2.1=8...(30) QD1 LEU 70 - HG13 ILE 129 OK 29 98 - 29 - 4163/2.1=6, 4147/1.8=5...(9) Peak 4156 from cnoeabs.peaks (0.75, 1.74, 30.23 ppm; 4.14 A): 2 out of 5 assignments used, quality = 1.00: * HG12 ILE 129 + HG13 ILE 129 OK 100 100 - 100 - 1.8=100 QG1 VAL 93 + HG13 ILE 129 OK 83 100 - 83 - ~10487=27, ~9967=17...(16) QD2 LEU 96 - HG13 ILE 129 OK 45 100 - 45 - ~10492=9, ~11354=7...(12) QD2 LEU 43 - HG13 ILE 129 OK 44 92 - 48 - ~11635=17, 4140/3.2=6...(11) QD2 LEU 103 - HG13 ILE 129 lone 4 65 - 6 - Peak 4157 from cnoeabs.peaks (1.74, 1.74, 30.23 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 129 + HG13 ILE 129 OK 100 100 - 100 Peak 4158 from cnoeabs.peaks (0.64, 1.74, 30.23 ppm; 4.02 A): 2 out of 2 assignments used, quality = 1.00: * QD1 ILE 129 + HG13 ILE 129 OK 100 100 - 100 - 2.1=100 QD1 LEU 42 + HG13 ILE 129 OK 57 81 - 70 - ~10486=19, 9083/3.2=18...(13) Peak 4159 from cnoeabs.peaks (8.04, 1.74, 30.23 ppm; 4.81 A): 3 out of 7 assignments used, quality = 0.93: * H SER 130 + HG13 ILE 129 OK 85 100 - 85 - 7887/2.1=28, 7881/4.8=25...(13) H CYS 79 + HG13 ILE 129 OK 39 73 - 54 - 9700=17, 3.9/11166=8...(12) H CYS 125 + HG13 ILE 129 OK 30 73 - 41 - ~10379=18, 4167/2.1=8...(7) H TYR 76 - HG13 ILE 129 OK 20 73 - 27 - 9609/2.1=8, 6.5/9629=4...(9) H ALA 52 - HG13 ILE 129 OK 18 81 - 23 - 10963/3.2=4, 4135/2.9=4...(9) H ALA 16 - HG13 ILE 129 OK 15 92 - 16 - 4143/3.2=3, 4167/2.1=3...(7) H LEU 48 - HG13 ILE 129 lone 3 57 - 6 - 4167/2.1=2 Peak 4160 from cnoeabs.peaks (8.00, 0.64, 14.39 ppm; 3.75 A): 3 out of 3 assignments used, quality = 0.93: * H ILE 129 + QD1 ILE 129 OK 88 100 - 88 - 4.9=45, 2.9/4161=32...(14) H VAL 57 + QD1 ILE 129 OK 32 96 - 33 - 4128/3.2=7, 4136/3.0=7...(8) H LYS 36 + QD1 ILE 129 OK 11 81 - 13 - 4136/3.0=2, 4152/2.1=2...(6) Peak 4161 from cnoeabs.peaks (3.46, 0.64, 14.39 ppm; 3.45 A): 1 out of 1 assignment used, quality = 0.87: * HA ILE 129 + QD1 ILE 129 OK 87 100 - 87 - 4.2=57, 3.2/4142=19...(15) Peak 4162 from cnoeabs.peaks (2.00, 0.64, 14.39 ppm; 3.66 A): 2 out of 9 assignments used, quality = 1.00: * HB ILE 129 + QD1 ILE 129 OK 100 100 - 100 - 3.2=100 HG2 PRO 81 + QD1 ILE 129 OK 56 96 - 59 - 2.3/10492=14, ~9714=10...(19) HB3 PRO 56 - QD1 ILE 129 OK 25 99 - 25 - 3.9/4160=5, 1775/4.9=3...(7) HB3 LEU 53 - QD1 ILE 129 OK 15 65 - 23 - 1.8/11637=9, 3.1/10489=5...(5) HG3 PRO 56 - QD1 ILE 129 OK 15 92 - 16 - 4154/2.1=2, ~4154=2...(8) HG2 PRO 56 - QD1 ILE 129 OK 15 92 - 16 - 4154/2.1=2, ~4154=2...(8) HB2 GLU 91 - QD1 ILE 129 poor 7 73 - 10 - 3.0/11638=3 HB3 PRO 117 - QD1 ILE 129 lone 7 87 - 8 - 4138/3.0=1 HB VAL 20 - QD1 ILE 129 lone 5 100 - 5 - Peak 4163 from cnoeabs.peaks (0.82, 0.64, 14.39 ppm; 2.80 A): 2 out of 4 assignments used, quality = 0.95: * QG2 ILE 129 + QD1 ILE 129 OK 90 100 - 90 - 3.0=80, 3.2/4161=16...(12) HG13 ILE 80 + QD1 ILE 129 OK 46 99 - 47 - 2467/3.0=6, 3.0/4165=5...(22) QG2 ILE 80 - QD1 ILE 129 OK 33 73 - 45 - 2.1/4165=6, 2455/3.0=4...(27) QD1 LEU 70 - QD1 ILE 129 OK 23 98 - 23 - 3.8/11116=6, 4.3/10454=5...(8) Peak 4164 from cnoeabs.peaks (0.75, 0.64, 14.39 ppm; 2.67 A): 2 out of 5 assignments used, quality = 1.00: * HG12 ILE 129 + QD1 ILE 129 OK 100 100 - 100 - 2.1=100 QG1 VAL 93 + QD1 ILE 129 OK 52 100 - 52 - 2.1/10487=20...(16) QD2 LEU 96 - QD1 ILE 129 OK 29 100 - 29 - 3.2/10492=5, 5.1/9982=5...(13) QD2 LEU 43 - QD1 ILE 129 OK 24 92 - 26 - 2.1/11635=8, 4140/3.0=3...(12) QD2 LEU 103 - QD1 ILE 129 lone 1 65 - 2 - Peak 4165 from cnoeabs.peaks (1.74, 0.64, 14.39 ppm; 3.39 A): 2 out of 6 assignments used, quality = 1.00: * HG13 ILE 129 + QD1 ILE 129 OK 100 100 - 100 - 2.1=100 HB ILE 80 + QD1 ILE 129 OK 48 81 - 60 - 4141/3.0=8, 3.0/4163=8...(24) HB2 LYS 26 - QD1 ILE 129 OK 19 87 - 21 - 3.0/10491=6, 4149/2.1=3...(9) HB2 LYS 31 - QD1 ILE 129 lone 7 100 - 7 - 4141/3.0=1, 4149/2.1=1 HB2 LYS 24 - QD1 ILE 129 lone 5 98 - 5 - HB2 LYS 19 - QD1 ILE 129 lone 4 87 - 5 - Peak 4166 from cnoeabs.peaks (0.64, 0.64, 14.39 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 129 + QD1 ILE 129 OK 100 100 - 100 Peak 4167 from cnoeabs.peaks (8.04, 0.64, 14.39 ppm; 3.63 A): 5 out of 7 assignments used, quality = 0.91: * H SER 130 + QD1 ILE 129 OK 79 100 - 79 - 3.6/4161=25, 7887=18...(14) H CYS 125 + QD1 ILE 129 OK 29 73 - 39 - 3.6/10400=11...(10) H CYS 79 + QD1 ILE 129 OK 23 73 - 31 - 9700/2.1=12, 9698/3.0=5...(8) H TYR 76 + QD1 ILE 129 OK 18 73 - 24 - 9609=5, 3.8/9617=5...(9) H ALA 52 + QD1 ILE 129 OK 11 81 - 14 - 4143/3.0=2, 4135/3.2=2...(6) H ALA 16 - QD1 ILE 129 poor 10 92 - 10 - 4143/3.0=2, 4135/3.2=2...(5) H LEU 48 - QD1 ILE 129 poor 7 57 - 11 - 3.6/10454=8, 9191/11636=1 Peak 4168 from cnoeabs.peaks (8.04, 3.78, 62.15 ppm; 3.92 A): 1 out of 7 assignments used, quality = 1.00: * H SER 130 + HA SER 130 OK 100 100 - 100 - 2.9=100 H ALA 16 - HA SER 130 OK 12 92 - 12 - 7898/3.6=3, 4182/3.0=2...(4) H TYR 76 - HA SER 130 OK 10 73 - 14 - 7898/3.6=4...(6) H ALA 52 - HA SER 130 lone 8 81 - 9 - 7898/3.6=1, ~6660=1, 4182/3.0=1 H CYS 125 - HA SER 130 lone 7 73 - 10 - 4182/3.0=2, ~3980=2...(4) H CYS 79 - HA SER 130 lone 6 73 - 8 - 10562/11744=1...(3) H LEU 48 - HA SER 130 lone 5 57 - 8 - 3.6/6562=3 Peak 4169 from cnoeabs.peaks (3.78, 3.78, 62.15 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 130 + HA SER 130 OK 100 100 - 100 Peak 4170 from cnoeabs.peaks (3.82, 3.78, 62.15 ppm; 3.37 A): 1 out of 3 assignments used, quality = 1.00: * HB2 SER 130 + HA SER 130 OK 100 100 - 100 - 3.0=100 HD3 PRO 58 - HA SER 130 OK 28 99 - 28 - 4184/3.0=6, ~10503=6...(9) HA VAL 118 - HA SER 130 lone 6 87 - 7 - 4184/3.0=1, 7889/2.9=1 Peak 4171 from cnoeabs.peaks (3.77, 3.78, 62.15 ppm; diagonal): 1 out of 1 assignment used, quality = 0.73: HA SER 130 + HA SER 130 OK 73 73 - 100 Reference assignment not found: HB3 SER 130 - HA SER 130 Peak 4172 from cnoeabs.peaks (8.27, 3.78, 62.15 ppm; 4.26 A): 1 out of 4 assignments used, quality = 1.00: * H ASP 131 + HA SER 130 OK 100 100 - 100 - 3.6=100 H LEU 96 - HA SER 130 OK 22 96 - 23 - 7891/2.9=7, 4180/3.0=4...(8) H GLU 40 - HA SER 130 lone 4 57 - 8 - 10563/11744=2...(3) H GLU 30 - HA SER 130 lone 3 73 - 4 - 4187/4.9=1 Peak 4173 from cnoeabs.peaks (8.14, 3.78, 62.15 ppm; 5.69 A): 5 out of 5 assignments used, quality = 0.95: * H VAL 133 + HA SER 130 OK 90 100 - 90 - 4.0/11744=36...(15) H ASP 71 + HA SER 130 OK 21 73 - 28 - 7906/3.6=6, ~7892=6...(9) H LEU 22 + HA SER 130 OK 15 98 - 15 - 7906/3.6=4, 4251/11744=3...(4) H ALA 15 + HA SER 130 OK 13 98 - 13 - 7906/3.6=3, 4.6/4168=3...(4) H ILE 32 + HA SER 130 OK 11 92 - 12 - 7906/3.6=3, 4251/11744=2...(5) Peak 4174 from cnoeabs.peaks (2.19, 3.78, 62.15 ppm; 5.04 A): 2 out of 2 assignments used, quality = 0.78: * HB VAL 133 + HA SER 130 OK 74 100 - 74 - 2.1/11744=39...(12) HB2 GLN 104 + HA SER 130 OK 16 100 - 16 - ~10499=7, 4253/11744=4...(5) Peak 4175 from cnoeabs.peaks (3.97, 3.82, 62.61 ppm; 3.35 A): 1 out of 9 assignments used, quality = 0.53: * HA GLN 127 + HB2 SER 130 OK 53 100 - 54 - 4037=21, 4181/1.8=15...(8) HB3 SER 94 - HB2 SER 130 lone 5 98 - 5 - 7894/4.6=2, 4181/1.8=2 HA LEU 100 - HB2 SER 130 lone 5 73 - 7 - 4181/1.8=3, 7894/4.6=1 HA THR 65 - HB2 SER 130 lone 4 100 - 4 - 4181/1.8=1, 7878/3.9=1 HB2 SER 106 - HB2 SER 130 lone 4 98 - 4 - 4181/1.8=1 HB3 SER 106 - HB2 SER 130 lone 2 65 - 3 - ~4181=1 HA2 GLY 17 - HB2 SER 130 lone 2 73 - 2 - HA3 GLY 17 - HB2 SER 130 lone 2 73 - 2 - HB3 SER 107 - HB2 SER 130 lone 1 65 - 1 - Peak 4176 from cnoeabs.peaks (8.04, 3.82, 62.61 ppm; 3.79 A): 1 out of 7 assignments used, quality = 0.94: * H SER 130 + HB2 SER 130 OK 94 100 - 94 - 3.9=89, 4182/1.8=26...(5) H ALA 16 - HB2 SER 130 lone 7 92 - 7 - 4182/1.8=2, 4168/3.0=2 H CYS 125 - HB2 SER 130 lone 6 73 - 8 - 4182/1.8=2, 4036/4175=2 H TYR 76 - HB2 SER 130 lone 6 73 - 8 - 7898/4.6=3, 4168/3.0=2 H ALA 52 - HB2 SER 130 lone 4 81 - 5 - 4168/3.0=1, 4182/1.8=1 H CYS 79 - HB2 SER 130 lone 3 73 - 4 - 4168/3.0=1 H LEU 48 - HB2 SER 130 lone 2 57 - 4 - 9191/11641=1 Peak 4177 from cnoeabs.peaks (3.78, 3.82, 62.61 ppm; 3.55 A): 2 out of 3 assignments used, quality = 1.00: * HA SER 130 + HB2 SER 130 OK 100 100 - 100 - 3.0=100 HB3 SER 130 + HB2 SER 130 OK 73 73 - 100 - 1.8=100 HA LEU 43 - HB2 SER 130 OK 35 100 - 35 - 3.9/11642=12, ~11640=9...(8) Peak 4178 from cnoeabs.peaks (3.82, 3.82, 62.61 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 130 + HB2 SER 130 OK 100 100 - 100 Peak 4179 from cnoeabs.peaks (3.77, 3.82, 62.61 ppm; 3.55 A): 2 out of 4 assignments used, quality = 1.00: * HB3 SER 130 + HB2 SER 130 OK 100 100 - 100 - 1.8=100 HA SER 130 + HB2 SER 130 OK 73 73 - 100 - 3.0=100 HA LEU 43 - HB2 SER 130 OK 27 81 - 33 - 3.9/11642=12, ~11640=9...(8) HA VAL 133 - HB2 SER 130 OK 25 81 - 31 - ~11744=8, ~4174=7...(9) Peak 4180 from cnoeabs.peaks (8.27, 3.82, 62.61 ppm; 4.21 A): 2 out of 4 assignments used, quality = 0.91: * H ASP 131 + HB2 SER 130 OK 90 100 - 90 - 4.6=76, 7891/3.9=21...(7) H LEU 96 + HB2 SER 130 OK 15 96 - 15 - 4172/3.0=5, 7891/3.9=5...(4) H GLU 30 - HB2 SER 130 lone 3 73 - 4 - 4.0/10503=1 H GLU 40 - HB2 SER 130 lone 2 57 - 4 - 7891/3.9=1 Peak 4181 from cnoeabs.peaks (3.97, 3.77, 62.61 ppm; 4.17 A): 2 out of 9 assignments used, quality = 0.74: * HA GLN 127 + HB3 SER 130 OK 70 100 - 70 - 4175/1.8=32, 4038=27...(6) HA LEU 100 + HB3 SER 130 OK 13 73 - 18 - 4.0/10036=7, 4175/1.8=3...(6) HB3 SER 94 - HB3 SER 130 lone 8 98 - 8 - 4175/1.8=3, 7894/4.6=3 HA THR 65 - HB3 SER 130 lone 7 100 - 7 - 4175/1.8=3, 7878/3.9=2 HB2 SER 106 - HB3 SER 130 lone 7 98 - 7 - 4175/1.8=3, 7878/3.9=1 HB3 SER 106 - HB3 SER 130 lone 3 65 - 5 - ~4175=2, 4175/1.8=1 HA2 GLY 17 - HB3 SER 130 lone 3 73 - 4 - 4175/1.8=1 HA3 GLY 17 - HB3 SER 130 lone 3 73 - 4 - 4175/1.8=1 HB3 SER 107 - HB3 SER 130 lone 2 65 - 2 - Peak 4182 from cnoeabs.peaks (8.04, 3.77, 62.61 ppm; 3.91 A): 1 out of 7 assignments used, quality = 0.99: * H SER 130 + HB3 SER 130 OK 99 100 - 99 - 3.9=97, 7889/1.8=36...(9) H CYS 125 - HB3 SER 130 poor 9 73 - 12 - 3.6/11640=4, 4176/1.8=2...(5) H ALA 16 - HB3 SER 130 lone 8 92 - 9 - 7898/4.6=2, 4168/3.0=2 H TYR 76 - HB3 SER 130 lone 7 73 - 9 - 7898/4.6=3, 4168/3.0=2 H ALA 52 - HB3 SER 130 lone 5 81 - 6 - 4168/3.0=1, 4176/1.8=1 H CYS 79 - HB3 SER 130 lone 4 73 - 5 - 4168/3.0=1 H LEU 48 - HB3 SER 130 lone 3 57 - 6 - 3.6/6562=2 Peak 4183 from cnoeabs.peaks (3.78, 3.77, 62.61 ppm; diagonal): 1 out of 1 assignment used, quality = 0.73: HB3 SER 130 + HB3 SER 130 OK 73 73 - 100 Reference assignment not found: HA SER 130 - HB3 SER 130 Peak 4184 from cnoeabs.peaks (3.82, 3.77, 62.61 ppm; 3.23 A): 1 out of 3 assignments used, quality = 1.00: * HB2 SER 130 + HB3 SER 130 OK 100 100 - 100 - 1.8=100 HD3 PRO 58 - HB3 SER 130 OK 30 99 - 30 - ~10503=7, 4170/3.0=5...(9) HA VAL 118 - HB3 SER 130 lone 7 87 - 8 - 4170/3.0=1 Peak 4185 from cnoeabs.peaks (3.77, 3.77, 62.61 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 130 + HB3 SER 130 OK 100 100 - 100 Peak 4187 from cnoeabs.peaks (8.27, 4.31, 56.79 ppm; 3.63 A): 1 out of 4 assignments used, quality = 1.00: * H ASP 131 + HA ASP 131 OK 100 100 - 100 - 2.9=100 H LEU 96 - HA ASP 131 OK 19 96 - 20 - 9985/3.0=6, 7912/3.6=4...(6) H GLU 30 - HA ASP 131 poor 9 73 - 11 - 4.0/4193=4, 5.1/4194=3 H GLU 40 - HA ASP 131 lone 4 57 - 6 - 4202/3.0=2, 7912/3.6=2 Peak 4188 from cnoeabs.peaks (4.31, 4.31, 56.79 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASP 131 + HA ASP 131 OK 100 100 - 100 Peak 4189 from cnoeabs.peaks (2.77, 4.31, 56.79 ppm; 3.57 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASP 131 + HA ASP 131 OK 100 100 - 100 - 3.0=100 HB3 ASN 13 - HA ASP 131 OK 12 100 - 11 - 7903/2.9=3, 4204/3.0=3...(5) Peak 4190 from cnoeabs.peaks (2.87, 4.31, 56.79 ppm; 3.58 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASP 131 + HA ASP 131 OK 100 100 - 100 - 3.0=100 HB3 ASN 59 - HA ASP 131 lone 1 65 - 2 - Peak 4191 from cnoeabs.peaks (8.47, 4.31, 56.79 ppm; 4.52 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 132 + HA ASP 131 OK 100 100 - 100 - 3.6=100 H LEU 70 - HA ASP 131 OK 23 81 - 29 - 7905/2.9=9, 4207/4.9=7...(7) Peak 4192 from cnoeabs.peaks (7.49, 4.31, 56.79 ppm; 4.99 A): 2 out of 3 assignments used, quality = 0.84: * H GLN 134 + HA ASP 131 OK 80 100 - 80 - 7939=31, 7921/3.6=22...(8) H LEU 42 + HA ASP 131 OK 19 100 - 19 - 7921/3.6=7, 4277/4276=3...(6) HE22 GLN 127 - HA ASP 131 lone 2 65 - 3 - 7921/3.6=1 Peak 4193 from cnoeabs.peaks (2.02, 4.31, 56.79 ppm; 4.08 A): 2 out of 7 assignments used, quality = 0.57: * HB2 GLN 134 + HA ASP 131 OK 47 100 - 47 - 1.8/4194=21, 4266=20 HB3 GLU 30 + HA ASP 131 OK 19 100 - 19 - 3.0/4194=6, 767/2.9=3...(8) HB2 GLU 44 - HA ASP 131 lone 8 98 - 8 - ~10514=2, 3.0/4194=2...(4) HG2 PRO 58 - HA ASP 131 lone 6 87 - 7 - ~7900=3, ~10514=2 HG2 ARG 90 - HA ASP 131 lone 3 99 - 3 - 7948/7939=1 HB VAL 63 - HA ASP 131 lone 1 100 - 1 - HB3 MET 11 - HA ASP 131 lone 1 99 - 1 - Peak 4194 from cnoeabs.peaks (2.33, 4.31, 56.79 ppm; 4.32 A): 2 out of 5 assignments used, quality = 0.64: * HB3 GLN 134 + HA ASP 131 OK 54 100 - 55 - 4276=27, 1.8/4193=23 HG3 GLU 30 + HA ASP 131 OK 20 99 - 20 - 3.0/4193=8, 781/2.9=3...(8) HG2 GLU 44 - HA ASP 131 lone 7 73 - 9 - 3.0/4193=3, ~10514=2...(4) HB VAL 77 - HA ASP 131 lone 7 92 - 7 - 3.9/7036=3, 4.5/7048=1 HG3 GLN 68 - HA ASP 131 lone 2 87 - 2 - Peak 4195 from cnoeabs.peaks (4.20, 2.77, 40.87 ppm; 3.94 A): 2 out of 5 assignments used, quality = 0.78: * HA GLU 128 + HB2 ASP 131 OK 74 100 - 74 - 4086/1.8=34, 4085=34...(6) HA VAL 105 + HB2 ASP 131 OK 16 87 - 18 - ~10516=7, 4201/1.8=6...(5) HB THR 25 - HB2 ASP 131 lone 5 92 - 6 - 7895/3.8=2, 4201/1.8=2 HB THR 18 - HB2 ASP 131 lone 5 98 - 5 - 4201/1.8=2, 7895/3.8=1 HA ALA 88 - HB2 ASP 131 lone 3 81 - 3 - 4201/1.8=1 Peak 4196 from cnoeabs.peaks (8.27, 2.77, 40.87 ppm; 3.62 A): 1 out of 4 assignments used, quality = 0.95: * H ASP 131 + HB2 ASP 131 OK 95 100 - 95 - 3.8=84, 7904/1.8=41...(8) H LEU 96 - HB2 ASP 131 OK 19 96 - 19 - 9985=5, 4202/1.8=5...(5) H GLU 40 - HB2 ASP 131 lone 6 57 - 10 - 4.7/10514=3, 4202/1.8=2 H GLU 30 - HB2 ASP 131 lone 3 73 - 4 - 4187/3.0=2 Peak 4197 from cnoeabs.peaks (4.31, 2.77, 40.87 ppm; 3.45 A): 1 out of 3 assignments used, quality = 1.00: * HA ASP 131 + HB2 ASP 131 OK 100 100 - 100 - 3.0=100 HA TYR 76 - HB2 ASP 131 OK 17 96 - 18 - 4203/1.8=5, ~11646=4...(5) HA2 GLY 75 - HB2 ASP 131 poor 9 57 - 16 - 2.9/9586=10, 4203/1.8=3 Peak 4198 from cnoeabs.peaks (2.77, 2.77, 40.87 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 131 + HB2 ASP 131 OK 100 100 - 100 Peak 4199 from cnoeabs.peaks (2.87, 2.77, 40.87 ppm; 2.90 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASP 131 + HB2 ASP 131 OK 100 100 - 100 - 1.8=100 HB3 ASN 59 - HB2 ASP 131 lone 1 65 - 1 - Peak 4200 from cnoeabs.peaks (8.47, 2.77, 40.87 ppm; 3.97 A): 1 out of 2 assignments used, quality = 0.95: * H VAL 132 + HB2 ASP 131 OK 95 100 - 95 - 4.7=62, 7915/1.8=40...(14) H LEU 70 - HB2 ASP 131 OK 17 81 - 21 - 7905/3.8=6, 4206/1.8=6...(7) Peak 4201 from cnoeabs.peaks (4.20, 2.87, 40.87 ppm; 3.82 A): 2 out of 5 assignments used, quality = 0.79: * HA GLU 128 + HB3 ASP 131 OK 74 100 - 74 - 4086=38, 4085/1.8=26...(6) HA VAL 105 + HB3 ASP 131 OK 17 87 - 20 - 3.0/10516=10, 4195/1.8=6...(5) HB THR 25 - HB3 ASP 131 lone 5 92 - 6 - 7895/3.8=2, 4195/1.8=2 HB THR 18 - HB3 ASP 131 lone 5 98 - 5 - 4195/1.8=2, 7895/3.8=1 HA ALA 88 - HB3 ASP 131 lone 3 81 - 3 - Peak 4202 from cnoeabs.peaks (8.27, 2.87, 40.87 ppm; 3.58 A): 1 out of 4 assignments used, quality = 0.94: * H ASP 131 + HB3 ASP 131 OK 94 100 - 94 - 3.8=81, 7903/1.8=36...(9) H LEU 96 - HB3 ASP 131 OK 17 96 - 17 - 9985/1.8=8, 4187/3.0=4...(4) H GLU 40 - HB3 ASP 131 poor 8 57 - 14 - 4.8/10515=9, 4196/1.8=2...(4) H GLU 30 - HB3 ASP 131 lone 3 73 - 4 - 4187/3.0=2 Peak 4203 from cnoeabs.peaks (4.31, 2.87, 40.87 ppm; 3.50 A): 1 out of 3 assignments used, quality = 1.00: * HA ASP 131 + HB3 ASP 131 OK 100 100 - 100 - 3.0=100 HA TYR 76 - HB3 ASP 131 OK 18 96 - 19 - 3.0/11646=6, 4197/1.8=5...(5) HA2 GLY 75 - HB3 ASP 131 OK 11 57 - 18 - ~9586=9, 3.5/11646=5, 4197/1.8=3 Peak 4204 from cnoeabs.peaks (2.77, 2.87, 40.87 ppm; 2.85 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASP 131 + HB3 ASP 131 OK 100 100 - 100 - 1.8=100 HB3 ASN 13 - HB3 ASP 131 lone 8 100 - 8 - 4189/3.0=2, 7903/3.8=1...(4) Peak 4205 from cnoeabs.peaks (2.87, 2.87, 40.87 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 131 + HB3 ASP 131 OK 100 100 - 100 Peak 4206 from cnoeabs.peaks (8.47, 2.87, 40.87 ppm; 4.00 A): 1 out of 2 assignments used, quality = 0.96: * H VAL 132 + HB3 ASP 131 OK 96 100 - 96 - 4.7=64, 7914/1.8=38...(14) H LEU 70 - HB3 ASP 131 OK 17 81 - 21 - 7905/3.8=6, 4200/1.8=6...(6) Peak 4207 from cnoeabs.peaks (8.47, 3.52, 66.53 ppm; 4.21 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 132 + HA VAL 132 OK 100 100 - 100 - 3.0=100 H LEU 70 - HA VAL 132 OK 42 81 - 53 - 7927/3.6=9, 4220/3.2=8...(17) Peak 4208 from cnoeabs.peaks (3.52, 3.52, 66.53 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 132 + HA VAL 132 OK 100 100 - 100 Peak 4209 from cnoeabs.peaks (2.28, 3.52, 66.53 ppm; 4.23 A): 1 out of 5 assignments used, quality = 1.00: * HB VAL 132 + HA VAL 132 OK 100 100 - 100 - 3.0=100 HB3 PRO 113 - HA VAL 132 OK 24 87 - 28 - 4228/3.2=5, 4222/3.2=5...(11) HG2 GLN 61 - HA VAL 132 OK 12 100 - 12 - 4222/3.2=3, 4228/3.2=2...(5) HG2 GLU 30 - HA VAL 132 OK 12 81 - 15 - 7929/3.6=3, 7917/3.0=3...(7) HG2 GLU 97 - HA VAL 132 poor 7 65 - 11 - 7929/3.6=5, 7917/3.0=2...(4) Peak 4210 from cnoeabs.peaks (1.13, 3.52, 66.53 ppm; 3.15 A): 2 out of 4 assignments used, quality = 1.00: * QG1 VAL 132 + HA VAL 132 OK 99 100 - 99 - 3.2=95, 2.1/4227=32...(16) QG2 VAL 132 + HA VAL 132 OK 73 73 - 99 - 3.2=96, 2.1/4221=31...(15) HG2 LYS 39 - HA VAL 132 OK 31 96 - 33 - ~11661=6, 4.0/10529=3...(15) QG2 THR 115 - HA VAL 132 lone 3 96 - 3 - Peak 4211 from cnoeabs.peaks (1.14, 3.52, 66.53 ppm; 3.15 A): 2 out of 5 assignments used, quality = 1.00: * QG2 VAL 132 + HA VAL 132 OK 99 100 - 99 - 3.2=96, 2.1/4221=31...(15) QG1 VAL 132 + HA VAL 132 OK 72 73 - 99 - 3.2=95, 2.1/4227=32...(15) HG2 LYS 39 - HA VAL 132 OK 31 96 - 32 - ~11661=6, 4.0/10529=3...(16) HB3 LEU 62 - HA VAL 132 OK 11 87 - 12 - ~1975=3, ~1964=2...(8) QG2 THR 115 - HA VAL 132 lone 3 96 - 3 - Peak 4212 from cnoeabs.peaks (8.14, 3.52, 66.53 ppm; 5.09 A): 1 out of 5 assignments used, quality = 1.00: * H VAL 133 + HA VAL 132 OK 100 100 - 100 - 3.6=100 H ASP 71 - HA VAL 132 OK 37 73 - 50 - 3.4/4207=11, 7920/3.0=7...(13) H LEU 22 - HA VAL 132 OK 20 98 - 20 - 7920/3.0=5, 4219/3.0=4...(6) H ALA 15 - HA VAL 132 OK 19 98 - 19 - 4225/3.2=5, 4231/3.2=5...(4) H ILE 32 - HA VAL 132 OK 18 92 - 19 - 4225/3.2=3, 4219/3.0=3...(8) Peak 4213 from cnoeabs.peaks (3.46, 2.28, 31.51 ppm; 4.35 A): 1 out of 1 assignment used, quality = 0.69: * HA ILE 129 + HB VAL 132 OK 69 100 - 69 - 4126=38, 7909/3.8=26...(6) Peak 4214 from cnoeabs.peaks (8.47, 2.28, 31.51 ppm; 3.60 A): 1 out of 2 assignments used, quality = 0.98: * H VAL 132 + HB VAL 132 OK 98 100 - 98 - 3.8=82, 4226/2.1=32...(17) H LEU 70 - HB VAL 132 OK 28 81 - 35 - 4220/2.1=8, 4226/2.1=7...(11) Peak 4215 from cnoeabs.peaks (3.52, 2.28, 31.51 ppm; 4.22 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 132 + HB VAL 132 OK 100 100 - 100 - 3.0=100 Peak 4216 from cnoeabs.peaks (2.28, 2.28, 31.51 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB VAL 132 + HB VAL 132 OK 100 100 - 100 Peak 4217 from cnoeabs.peaks (1.13, 2.28, 31.51 ppm; 2.94 A): 2 out of 4 assignments used, quality = 1.00: * QG1 VAL 132 + HB VAL 132 OK 100 100 - 100 - 2.1=100 QG2 VAL 132 + HB VAL 132 OK 73 73 - 100 - 2.1=100 HG2 LYS 39 - HB VAL 132 OK 24 96 - 25 - 3.0/11661=8, ~1186=3...(10) QG2 THR 115 - HB VAL 132 lone 3 96 - 3 - Peak 4218 from cnoeabs.peaks (1.14, 2.28, 31.51 ppm; 2.94 A): 2 out of 5 assignments used, quality = 1.00: * QG2 VAL 132 + HB VAL 132 OK 100 100 - 100 - 2.1=100 QG1 VAL 132 + HB VAL 132 OK 73 73 - 100 - 2.1=100 HG2 LYS 39 - HB VAL 132 OK 24 96 - 26 - 3.0/11661=8, ~1186=3...(11) HB3 LEU 62 - HB VAL 132 OK 12 87 - 14 - ~1975=3, 3.9/6787=2...(7) QG2 THR 115 - HB VAL 132 lone 3 96 - 3 - Peak 4219 from cnoeabs.peaks (8.14, 2.28, 31.51 ppm; 4.01 A): 1 out of 5 assignments used, quality = 0.93: * H VAL 133 + HB VAL 132 OK 93 100 - 93 - 4.7=64, 3.3/7917=25...(12) H ASP 71 - HB VAL 132 OK 24 73 - 32 - 3.4/4214=7, 4231/2.1=5...(8) H LEU 22 - HB VAL 132 OK 17 98 - 17 - 4.9/11662=3, 4231/2.1=3...(6) H ALA 15 - HB VAL 132 OK 14 98 - 14 - 4225/2.1=5, 4231/2.1=4...(4) H ILE 32 - HB VAL 132 OK 11 92 - 12 - 4225/2.1=3, 4231/2.1=2...(6) Peak 4220 from cnoeabs.peaks (8.47, 1.13, 22.77 ppm; 3.42 A): 1 out of 2 assignments used, quality = 0.96: * H VAL 132 + QG1 VAL 132 OK 96 100 - 96 - 4.0=62, 4226/2.1=30...(22) H LEU 70 - QG1 VAL 132 OK 28 81 - 34 - 4226/2.1=7, 4214/2.1=7...(10) Peak 4221 from cnoeabs.peaks (3.52, 1.13, 22.77 ppm; 3.19 A): 1 out of 1 assignment used, quality = 0.99: * HA VAL 132 + QG1 VAL 132 OK 99 100 - 99 - 3.2=99 Peak 4222 from cnoeabs.peaks (2.28, 1.13, 22.77 ppm; 3.00 A): 1 out of 5 assignments used, quality = 1.00: * HB VAL 132 + QG1 VAL 132 OK 100 100 - 100 - 2.1=100 HB3 PRO 113 - QG1 VAL 132 OK 16 87 - 18 - 4228/2.1=4, 3.9/10159=3...(10) HG2 GLN 61 - QG1 VAL 132 lone 9 100 - 9 - 4228/2.1=2, 1951/11653=2...(4) HG2 GLU 30 - QG1 VAL 132 lone 7 81 - 9 - 4228/2.1=2, 7929/4.2=1...(5) HG2 GLU 97 - QG1 VAL 132 lone 5 65 - 8 - 7929/4.2=2...(3) Peak 4223 from cnoeabs.peaks (1.13, 1.13, 22.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 132 + QG1 VAL 132 OK 100 100 - 100 Peak 4224 from cnoeabs.peaks (1.14, 1.13, 22.77 ppm; diagonal): 1 out of 1 assignment used, quality = 0.73: QG1 VAL 132 + QG1 VAL 132 OK 73 73 - 100 Reference assignment not found: QG2 VAL 132 - QG1 VAL 132 Peak 4225 from cnoeabs.peaks (8.14, 1.13, 22.77 ppm; 3.75 A): 1 out of 5 assignments used, quality = 0.96: * H VAL 133 + QG1 VAL 132 OK 96 100 - 96 - 4.2=69, 3.6/4221=28...(20) H ASP 71 - QG1 VAL 132 OK 22 73 - 29 - 3.4/4220=6, 4219/2.1=5...(8) H ALA 15 - QG1 VAL 132 OK 21 98 - 21 - 4.6/11652=11, 4231/2.1=4...(5) H LEU 22 - QG1 VAL 132 OK 13 98 - 13 - 4219/2.1=3, 4231/2.1=3...(4) H ILE 32 - QG1 VAL 132 OK 12 92 - 13 - 5.2/11658=3, 4219/2.1=2...(5) Peak 4226 from cnoeabs.peaks (8.47, 1.14, 23.15 ppm; 3.12 A): 2 out of 2 assignments used, quality = 0.91: * H VAL 132 + QG2 VAL 132 OK 88 100 - 88 - 4.0=46, 3.0/4227=25...(18) H LEU 70 + QG2 VAL 132 OK 21 81 - 26 - 4220/2.1=6, 4214/2.1=6...(8) Peak 4227 from cnoeabs.peaks (3.52, 1.14, 23.15 ppm; 3.12 A): 1 out of 1 assignment used, quality = 0.98: * HA VAL 132 + QG2 VAL 132 OK 98 100 - 98 - 3.2=93, 4221/2.1=31...(16) Peak 4228 from cnoeabs.peaks (2.28, 1.14, 23.15 ppm; 3.01 A): 1 out of 5 assignments used, quality = 1.00: * HB VAL 132 + QG2 VAL 132 OK 100 100 - 100 - 2.1=100 HB3 PRO 113 - QG2 VAL 132 OK 18 87 - 21 - 3.9/11663=5, 4222/2.1=4...(10) HG2 GLN 61 - QG2 VAL 132 lone 8 100 - 8 - 4222/2.1=2, ~1956=1, 4209/3.2=1 HG2 GLU 30 - QG2 VAL 132 lone 7 81 - 8 - 4222/2.1=2, 7929/4.4=1...(4) HG2 GLU 97 - QG2 VAL 132 lone 5 65 - 7 - 7929/4.4=2...(3) Peak 4229 from cnoeabs.peaks (1.13, 1.14, 23.15 ppm; diagonal): 1 out of 1 assignment used, quality = 0.73: QG2 VAL 132 + QG2 VAL 132 OK 73 73 - 100 Reference assignment not found: QG1 VAL 132 - QG2 VAL 132 Peak 4230 from cnoeabs.peaks (1.14, 1.14, 23.15 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 132 + QG2 VAL 132 OK 100 100 - 100 Peak 4231 from cnoeabs.peaks (8.14, 1.14, 23.15 ppm; 3.87 A): 1 out of 5 assignments used, quality = 0.96: * H VAL 133 + QG2 VAL 132 OK 96 100 - 96 - 4.4=70, 3.6/4227=31...(16) H ASP 71 - QG2 VAL 132 OK 22 73 - 30 - 3.4/4226=6, 4219/2.1=5...(8) H ALA 15 - QG2 VAL 132 OK 18 98 - 19 - 4.6/10674=7, 4225/2.1=5...(5) H LEU 22 - QG2 VAL 132 OK 14 98 - 14 - 4219/2.1=3, 4225/2.1=3...(5) H ILE 32 - QG2 VAL 132 OK 10 92 - 11 - 4225/2.1=3, 4219/2.1=2...(4) Peak 4232 from cnoeabs.peaks (8.14, 3.77, 65.08 ppm; 3.98 A): 1 out of 5 assignments used, quality = 1.00: * H VAL 133 + HA VAL 133 OK 100 100 - 100 - 3.0=100 H LEU 22 - HA VAL 133 OK 31 98 - 32 - 6191/3.2=9, 4.9/4235=6...(7) H ASP 71 - HA VAL 133 OK 22 73 - 30 - 3.4/10565=5, 4251/3.2=5...(11) H ILE 32 - HA VAL 133 OK 15 92 - 16 - 4251/3.2=4, 4245/3.2=3...(5) H ALA 15 - HA VAL 133 lone 10 98 - 10 - 4245/3.2=2, 4251/3.2=2...(4) Peak 4233 from cnoeabs.peaks (3.77, 3.77, 65.08 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 133 + HA VAL 133 OK 100 100 - 100 Peak 4234 from cnoeabs.peaks (2.19, 3.77, 65.08 ppm; 4.12 A): 1 out of 2 assignments used, quality = 1.00: * HB VAL 133 + HA VAL 133 OK 100 100 - 100 - 3.0=100 HB2 GLN 104 - HA VAL 133 OK 38 100 - 38 - 4247/3.2=9, 4253/3.2=8...(8) Peak 4235 from cnoeabs.peaks (0.84, 3.77, 65.08 ppm; 3.48 A): 1 out of 2 assignments used, quality = 1.00: * QG1 VAL 133 + HA VAL 133 OK 100 100 - 100 - 3.2=100 QD2 LEU 22 - HA VAL 133 OK 38 92 - 42 - 7934/3.0=9, 4242/3.0=7...(13) Peak 4236 from cnoeabs.peaks (1.04, 3.77, 65.08 ppm; 3.54 A): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 133 + HA VAL 133 OK 100 100 - 100 - 3.2=100 Peak 4237 from cnoeabs.peaks (7.49, 3.77, 65.08 ppm; 4.66 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 134 + HA VAL 133 OK 100 100 - 100 - 3.6=100 H LEU 42 - HA VAL 133 OK 45 100 - 45 - 4256/3.2=15, 4250/3.2=13...(6) HE22 GLN 127 - HA VAL 133 lone 3 65 - 5 - 7936/3.0=1 Peak 4239 from cnoeabs.peaks (8.14, 2.19, 31.57 ppm; 4.00 A): 1 out of 5 assignments used, quality = 1.00: * H VAL 133 + HB VAL 133 OK 100 100 - 100 - 4.0=100 H LEU 22 - HB VAL 133 OK 32 98 - 33 - 6191/2.1=11, 4251/2.1=6...(6) H ASP 71 - HB VAL 133 OK 19 73 - 25 - 4251/2.1=6, 3.4/9483=5...(7) H ILE 32 - HB VAL 133 OK 14 92 - 15 - 4251/2.1=5, 4245/2.1=4...(4) H ALA 15 - HB VAL 133 lone 9 98 - 9 - 4245/2.1=2, 4251/2.1=2...(4) Peak 4240 from cnoeabs.peaks (3.77, 2.19, 31.57 ppm; 3.98 A): 2 out of 4 assignments used, quality = 1.00: * HA VAL 133 + HB VAL 133 OK 100 100 - 100 - 3.0=100 HA GLU 97 + HB VAL 133 OK 64 92 - 70 - 10000/2.1=31, ~10003=15...(10) HB3 SER 130 - HB VAL 133 OK 39 81 - 49 - 3.0/4174=17, ~11744=14...(8) HB2 SER 99 - HB VAL 133 lone 3 73 - 4 - 4246/2.1=1 Peak 4241 from cnoeabs.peaks (2.19, 2.19, 31.57 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB VAL 133 + HB VAL 133 OK 100 100 - 100 Peak 4242 from cnoeabs.peaks (0.84, 2.19, 31.57 ppm; 3.60 A): 1 out of 2 assignments used, quality = 1.00: * QG1 VAL 133 + HB VAL 133 OK 100 100 - 100 - 2.1=100 QD2 LEU 22 - HB VAL 133 OK 35 92 - 38 - 4235/3.0=8, 4254/2.1=8...(9) Peak 4243 from cnoeabs.peaks (1.04, 2.19, 31.57 ppm; 3.73 A): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 133 + HB VAL 133 OK 100 100 - 100 - 2.1=100 Peak 4244 from cnoeabs.peaks (7.49, 2.19, 31.57 ppm; 4.77 A): 2 out of 3 assignments used, quality = 1.00: * H GLN 134 + HB VAL 133 OK 100 100 - 100 - 4.6=100 H LEU 42 + HB VAL 133 OK 54 100 - 54 - 4256/2.1=19, 4.8/9087=16...(5) HE22 GLN 127 - HB VAL 133 lone 3 65 - 5 - Peak 4245 from cnoeabs.peaks (8.14, 0.84, 22.13 ppm; 3.74 A): 2 out of 5 assignments used, quality = 0.99: * H VAL 133 + QG1 VAL 133 OK 97 100 - 97 - 4.0=82, 7935/2.1=40...(16) H LEU 22 + QG1 VAL 133 OK 46 98 - 47 - 6191=10, 2.9/373=7...(12) H ILE 32 - QG1 VAL 133 OK 22 92 - 24 - 4.8/11679=6, 4251/2.1=5...(6) H ASP 71 - QG1 VAL 133 OK 19 73 - 26 - 4251/2.1=5, ~9483=4...(8) H ALA 15 - QG1 VAL 133 OK 11 98 - 12 - 4251/2.1=2, 4239/2.1=2...(4) Peak 4246 from cnoeabs.peaks (3.77, 0.84, 22.13 ppm; 3.37 A): 2 out of 4 assignments used, quality = 1.00: * HA VAL 133 + QG1 VAL 133 OK 100 100 - 100 - 3.2=100 HA GLU 97 + QG1 VAL 133 OK 72 92 - 78 - 10000=22, 3.0/10003=20...(14) HB3 SER 130 - QG1 VAL 133 OK 28 81 - 35 - ~11744=10, ~4174=8...(9) HB2 SER 99 - QG1 VAL 133 lone 6 73 - 8 - 3231/11385=1, 3127/10003=1 Peak 4247 from cnoeabs.peaks (2.19, 0.84, 22.13 ppm; 3.40 A): 1 out of 2 assignments used, quality = 1.00: * HB VAL 133 + QG1 VAL 133 OK 100 100 - 100 - 2.1=100 HB2 GLN 104 - QG1 VAL 133 OK 32 100 - 32 - 4253/2.1=8, 4234/3.2=5...(9) Peak 4248 from cnoeabs.peaks (0.84, 0.84, 22.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 133 + QG1 VAL 133 OK 100 100 - 100 Peak 4249 from cnoeabs.peaks (1.04, 0.84, 22.13 ppm; 2.93 A): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 133 + QG1 VAL 133 OK 100 100 - 100 - 2.1=100 Peak 4250 from cnoeabs.peaks (7.49, 0.84, 22.13 ppm; 3.98 A): 2 out of 3 assignments used, quality = 0.98: * H GLN 134 + QG1 VAL 133 OK 96 100 - 96 - 4.3=78, 7946/2.1=35...(14) H LEU 42 + QG1 VAL 133 OK 55 100 - 55 - 4.8/10585=20...(10) HE22 GLN 127 - QG1 VAL 133 lone 3 65 - 4 - Peak 4251 from cnoeabs.peaks (8.14, 1.04, 23.73 ppm; 3.33 A): 4 out of 5 assignments used, quality = 0.94: * H VAL 133 + QG2 VAL 133 OK 87 100 - 87 - 4.0=55, 7933/2.1=25...(13) H LEU 22 + QG2 VAL 133 OK 23 98 - 24 - 6191/2.1=7, 4239/2.1=5...(6) H ASP 71 + QG2 VAL 133 OK 21 73 - 29 - 4.0/10570=12, ~9483=3...(8) H ILE 32 + QG2 VAL 133 OK 19 92 - 20 - 4.8/11678=6, 5.2/10567=5...(6) H ALA 15 - QG2 VAL 133 lone 8 98 - 8 - 4245/2.1=2, 4239/2.1=1 Peak 4252 from cnoeabs.peaks (3.77, 1.04, 23.73 ppm; 3.16 A): 2 out of 4 assignments used, quality = 0.99: * HA VAL 133 + QG2 VAL 133 OK 98 100 - 98 - 3.2=96, 3.0/7935=24...(11) HA GLU 97 + QG2 VAL 133 OK 47 92 - 51 - 10000/2.1=21, ~10003=9...(11) HB3 SER 130 - QG2 VAL 133 OK 32 81 - 40 - 3.0/11744=12, ~4174=6...(10) HB2 SER 99 - QG2 VAL 133 lone 2 73 - 3 - Peak 4253 from cnoeabs.peaks (2.19, 1.04, 23.73 ppm; 3.30 A): 1 out of 2 assignments used, quality = 1.00: * HB VAL 133 + QG2 VAL 133 OK 100 100 - 100 - 2.1=100 HB2 GLN 104 - QG2 VAL 133 OK 31 100 - 31 - 4247/2.1=8, 4234/3.2=5...(9) Peak 4254 from cnoeabs.peaks (0.84, 1.04, 23.73 ppm; 2.73 A): 1 out of 2 assignments used, quality = 1.00: * QG1 VAL 133 + QG2 VAL 133 OK 100 100 - 100 - 2.1=100 QD2 LEU 22 - QG2 VAL 133 OK 22 92 - 23 - 4242/2.1=5, 4235/3.2=4...(9) Peak 4255 from cnoeabs.peaks (1.04, 1.04, 23.73 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 133 + QG2 VAL 133 OK 100 100 - 100 Peak 4256 from cnoeabs.peaks (7.49, 1.04, 23.73 ppm; 3.85 A): 2 out of 3 assignments used, quality = 0.98: * H GLN 134 + QG2 VAL 133 OK 94 100 - 94 - 4.4=68, 7945/2.1=25...(16) H LEU 42 + QG2 VAL 133 OK 65 100 - 66 - 4.8/10587=20...(13) HE22 GLN 127 - QG2 VAL 133 lone 3 65 - 4 - Peak 4257 from cnoeabs.peaks (7.49, 4.35, 56.69 ppm; 3.84 A): 2 out of 3 assignments used, quality = 1.00: * H GLN 134 + HA GLN 134 OK 100 100 - 100 - 3.0=100 H LEU 42 + HA GLN 134 OK 51 100 - 52 - 4277/3.0=9, 4267/3.0=9...(11) HE22 GLN 127 - HA GLN 134 lone 4 65 - 5 - Peak 4258 from cnoeabs.peaks (4.35, 4.35, 56.69 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLN 134 + HA GLN 134 OK 100 100 - 100 Peak 4259 from cnoeabs.peaks (2.02, 4.35, 56.69 ppm; 3.70 A): 2 out of 7 assignments used, quality = 1.00: * HB2 GLN 134 + HA GLN 134 OK 100 100 - 100 - 3.0=100 HB2 GLU 44 + HA GLN 134 OK 56 98 - 58 - 1.8/4262=9, 1406/3.0=7...(21) HB3 GLU 30 - HA GLN 134 OK 41 100 - 41 - 772/3.0=8, 3.0/4260=5...(17) HG2 ARG 90 - HA GLN 134 OK 29 99 - 29 - 1.8/11683=8, 7948/3.0=4...(10) HG2 PRO 58 - HA GLN 134 OK 15 87 - 18 - 4279/3.0=2, 4288/4.1=2...(6) HB VAL 63 - HA GLN 134 lone 6 100 - 5 - HB3 MET 11 - HA GLN 134 lone 6 99 - 5 - Peak 4260 from cnoeabs.peaks (2.33, 4.35, 56.69 ppm; 3.76 A): 1 out of 5 assignments used, quality = 1.00: * HB3 GLN 134 + HA GLN 134 OK 100 100 - 100 - 3.0=100 HG3 GLU 30 - HA GLN 134 OK 39 99 - 39 - 784/3.0=7, 3.0/4259=5...(15) HG2 GLU 44 - HA GLN 134 OK 36 73 - 50 - 3.0/4262=7, 3.0/4259=6...(19) HB VAL 77 - HA GLN 134 OK 23 92 - 25 - 4270/3.0=4, 4289/4.1=3...(11) HG3 GLN 68 - HA GLN 134 OK 16 87 - 18 - ~2155=2, 4270/3.0=2...(12) Peak 4261 from cnoeabs.peaks (2.65, 4.35, 56.69 ppm; 3.73 A): 1 out of 1 assignment used, quality = 0.95: * HG2 GLN 134 + HA GLN 134 OK 95 100 - 95 - 4.1=77, 7950/3.0=29...(13) Peak 4262 from cnoeabs.peaks (2.08, 4.35, 56.69 ppm; 3.54 A): 2 out of 7 assignments used, quality = 0.95: * HG3 GLN 134 + HA GLN 134 OK 91 100 - 91 - 4.1=66, 1.8/4261=34...(12) HB3 GLU 44 + HA GLN 134 OK 49 96 - 51 - 4272/3.0=7, 1.8/4259=7...(19) HB2 GLU 128 - HA GLN 134 OK 38 100 - 38 - 4087=11, 1.8/4095=7...(11) HB3 LYS 39 - HA GLN 134 OK 15 98 - 15 - 7977/3.6=3, ~1146=3...(6) HB2 GLU 102 - HA GLN 134 lone 8 100 - 8 - 4272/3.0=1, 4282/3.0=1 HG3 PRO 58 - HA GLN 134 poor 8 57 - 13 - 1.8/4259=2, 4272/3.0=1...(4) HB VAL 57 - HA GLN 134 lone 1 73 - 2 - Peak 4263 from cnoeabs.peaks (6.89, 4.35, 56.69 ppm; 5.44 A): 1 out of 2 assignments used, quality = 1.00: * HE21 GLN 134 + HA GLN 134 OK 100 100 - 100 - 5.4=100 HE21 GLN 61 - HA GLN 134 lone 7 73 - 10 - 7952/3.0=4, 4301/4.1=2 Peak 4265 from cnoeabs.peaks (7.31, 4.35, 56.69 ppm; 4.37 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 135 + HA GLN 134 OK 100 100 - 100 - 3.6=100 QD PHE 87 - HA GLN 134 OK 19 92 - 20 - 7954/3.0=6, 4275/3.0=4...(5) HZ PHE 89 - HA GLN 134 OK 15 81 - 19 - 7954/3.0=5, 4275/3.0=3...(7) Peak 4266 from cnoeabs.peaks (4.31, 2.02, 30.54 ppm; 4.79 A): 2 out of 3 assignments used, quality = 0.72: * HA ASP 131 + HB2 GLN 134 OK 59 100 - 59 - 4193=27, 4276/1.8=27 HA TYR 76 + HB2 GLN 134 OK 32 96 - 33 - 4276/1.8=15, 7939/4.0=11 HA2 GLY 75 - HB2 GLN 134 lone 2 57 - 3 - Peak 4267 from cnoeabs.peaks (7.49, 2.02, 30.54 ppm; 4.45 A): 2 out of 3 assignments used, quality = 1.00: * H GLN 134 + HB2 GLN 134 OK 100 100 - 100 - 4.0=100 H LEU 42 + HB2 GLN 134 OK 65 100 - 66 - 4277/1.8=15, 4295/2.9=13...(11) HE22 GLN 127 - HB2 GLN 134 lone 5 65 - 8 - 4277/1.8=1, 4295/2.9=1 Peak 4268 from cnoeabs.peaks (4.35, 2.02, 30.54 ppm; 4.28 A): 2 out of 2 assignments used, quality = 1.00: * HA GLN 134 + HB2 GLN 134 OK 100 100 - 100 - 3.0=100 HA CYS 125 + HB2 GLN 134 OK 57 99 - 57 - 4278/1.8=14, 4296/2.9=12...(12) Peak 4269 from cnoeabs.peaks (2.02, 2.02, 30.54 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 134 + HB2 GLN 134 OK 100 100 - 100 Peak 4270 from cnoeabs.peaks (2.33, 2.02, 30.54 ppm; 3.59 A): 3 out of 5 assignments used, quality = 1.00: * HB3 GLN 134 + HB2 GLN 134 OK 100 100 - 100 - 1.8=100 HG3 GLU 30 + HB2 GLN 134 OK 54 99 - 55 - 784=10, 1.8/777=7...(21) HG2 GLU 44 + HB2 GLN 134 OK 45 73 - 62 - 1.8/1426=8, 3.0/4272=8...(24) HB VAL 77 - HB2 GLN 134 OK 33 92 - 36 - ~10595=10, 2.1/9652=4...(12) HG3 GLN 68 - HB2 GLN 134 OK 19 87 - 21 - ~2155=3, 7967/4.3=2...(11) Peak 4271 from cnoeabs.peaks (2.65, 2.02, 30.54 ppm; 4.24 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 134 + HB2 GLN 134 OK 100 100 - 100 - 2.9=100 Peak 4272 from cnoeabs.peaks (2.08, 2.02, 30.54 ppm; 3.47 A): 2 out of 7 assignments used, quality = 1.00: * HG3 GLN 134 + HB2 GLN 134 OK 100 100 - 100 - 2.9=100 HB3 GLU 44 + HB2 GLN 134 OK 65 96 - 68 - 1412=9, 4282/1.8=9...(28) HB2 GLU 128 - HB2 GLN 134 OK 30 100 - 30 - 4087/3.0=8, 4282/1.8=5...(10) HB3 LYS 39 - HB2 GLN 134 OK 18 98 - 18 - 4282/1.8=3, 4291/2.9=2...(9) HG3 PRO 58 - HB2 GLN 134 OK 12 57 - 21 - 4282/1.8=2, ~4279=2...(9) HB2 GLU 102 - HB2 GLN 134 OK 11 100 - 10 - 4282/1.8=2, 4291/2.9=1 HB VAL 57 - HB2 GLN 134 lone 2 73 - 3 - Peak 4274 from cnoeabs.peaks (7.13, 2.02, 30.54 ppm; 5.48 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 134 + HB2 GLN 134 OK 100 100 - 100 - 4.3=100 Peak 4275 from cnoeabs.peaks (7.31, 2.02, 30.54 ppm; 5.63 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 135 + HB2 GLN 134 OK 100 100 - 100 - 4.4=100 QD PHE 87 - HB2 GLN 134 OK 28 92 - 30 - 4285/1.8=8, 4303/2.9=7...(5) HZ PHE 89 - HB2 GLN 134 OK 19 81 - 24 - 7954/4.0=6, 4285/1.8=5...(5) Peak 4276 from cnoeabs.peaks (4.31, 2.33, 30.54 ppm; 4.53 A): 2 out of 3 assignments used, quality = 0.71: * HA ASP 131 + HB3 GLN 134 OK 58 100 - 58 - 4194=30, 4193/1.8=24 HA TYR 76 + HB3 GLN 134 OK 32 96 - 33 - 4266/1.8=12, 7939/4.0=10...(4) HA2 GLY 75 - HB3 GLN 134 lone 2 57 - 3 - Peak 4277 from cnoeabs.peaks (7.49, 2.33, 30.54 ppm; 4.25 A): 2 out of 3 assignments used, quality = 1.00: * H GLN 134 + HB3 GLN 134 OK 100 100 - 100 - 4.0=100 H LEU 42 + HB3 GLN 134 OK 60 100 - 60 - 4267/1.8=14, 4295/2.9=12...(10) HE22 GLN 127 - HB3 GLN 134 lone 5 65 - 7 - 4267/1.8=1, 4295/2.9=1 Peak 4278 from cnoeabs.peaks (4.35, 2.33, 30.54 ppm; 3.97 A): 2 out of 2 assignments used, quality = 1.00: * HA GLN 134 + HB3 GLN 134 OK 100 100 - 100 - 3.0=100 HA CYS 125 + HB3 GLN 134 OK 52 99 - 52 - 4268/1.8=12, 4296/2.9=11...(11) Peak 4279 from cnoeabs.peaks (2.02, 2.33, 30.54 ppm; 3.55 A): 3 out of 7 assignments used, quality = 1.00: * HB2 GLN 134 + HB3 GLN 134 OK 100 100 - 100 - 1.8=100 HB2 GLU 44 + HB3 GLN 134 OK 64 98 - 66 - 1.8/4282=9, ~4272=7...(28) HB3 GLU 30 + HB3 GLN 134 OK 58 100 - 58 - 772=13, 1.8/765=9...(22) HG2 ARG 90 - HB3 GLN 134 OK 28 99 - 28 - ~11683=4, 4288/2.9=3...(11) HG2 PRO 58 - HB3 GLN 134 OK 20 87 - 23 - 4288/2.9=2, 4297/2.9=2...(11) HB3 MET 11 - HB3 GLN 134 lone 6 99 - 6 - HB VAL 63 - HB3 GLN 134 lone 6 100 - 6 - Peak 4280 from cnoeabs.peaks (2.33, 2.33, 30.54 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 134 + HB3 GLN 134 OK 100 100 - 100 Peak 4281 from cnoeabs.peaks (2.65, 2.33, 30.54 ppm; 4.03 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 134 + HB3 GLN 134 OK 100 100 - 100 - 2.9=100 Peak 4282 from cnoeabs.peaks (2.08, 2.33, 30.54 ppm; 3.73 A): 2 out of 7 assignments used, quality = 1.00: * HG3 GLN 134 + HB3 GLN 134 OK 100 100 - 100 - 2.9=100 HB3 GLU 44 + HB3 GLN 134 OK 65 96 - 69 - 4272/1.8=11, 1.8/4279=9...(28) HB2 GLU 128 - HB3 GLN 134 OK 34 100 - 34 - 4087/3.0=9, 4272/1.8=5...(10) HB3 LYS 39 - HB3 GLN 134 OK 20 98 - 21 - 4272/1.8=3, ~1152=3...(11) HG3 PRO 58 - HB3 GLN 134 OK 13 57 - 23 - 1.8/4279=3, 4272/1.8=2...(11) HB2 GLU 102 - HB3 GLN 134 OK 12 100 - 11 - 4272/1.8=2, 4291/2.9=1 HB VAL 57 - HB3 GLN 134 lone 2 73 - 2 - Peak 4284 from cnoeabs.peaks (7.13, 2.33, 30.54 ppm; 5.25 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 134 + HB3 GLN 134 OK 100 100 - 100 - 4.3=100 Peak 4285 from cnoeabs.peaks (7.31, 2.33, 30.54 ppm; 6.01 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 135 + HB3 GLN 134 OK 100 100 - 100 - 4.4=100 QD PHE 87 - HB3 GLN 134 OK 31 92 - 33 - 4275/1.8=9, 4303/2.9=8...(5) HZ PHE 89 - HB3 GLN 134 OK 21 81 - 26 - 4275/1.8=6, 7954/4.0=6...(5) Peak 4286 from cnoeabs.peaks (7.49, 2.65, 35.91 ppm; 4.18 A): 2 out of 3 assignments used, quality = 0.98: * H GLN 134 + HG2 GLN 134 OK 95 100 - 95 - 4.9=60, 3.0/4261=35...(13) H LEU 42 + HG2 GLN 134 OK 54 100 - 55 - 4295/1.8=14, 7964/3.5=11...(8) HE22 GLN 127 - HG2 GLN 134 lone 5 65 - 6 - 4295/1.8=1 Peak 4287 from cnoeabs.peaks (4.35, 2.65, 35.91 ppm; 4.02 A): 2 out of 2 assignments used, quality = 1.00: * HA GLN 134 + HG2 GLN 134 OK 99 100 - 99 - 4.1=97, 3.0/7950=33...(13) HA CYS 125 + HG2 GLN 134 OK 49 99 - 49 - 4296/1.8=14, 4278/2.9=10...(8) Peak 4288 from cnoeabs.peaks (2.02, 2.65, 35.91 ppm; 3.81 A): 3 out of 7 assignments used, quality = 1.00: * HB2 GLN 134 + HG2 GLN 134 OK 100 100 - 100 - 2.9=100 HB2 GLU 44 + HG2 GLN 134 OK 64 98 - 65 - 1.8/4291=10, 4297/1.8=9...(23) HB3 GLU 30 + HG2 GLN 134 OK 46 100 - 46 - 772/2.9=8, 4297/1.8=6...(17) HG2 ARG 90 - HG2 GLN 134 OK 35 99 - 35 - 3.8/10604=13, 4297/1.8=4...(12) HG2 PRO 58 - HG2 GLN 134 OK 21 87 - 24 - 4297/1.8=3, 4279/2.9=2...(12) HB VAL 63 - HG2 GLN 134 lone 7 100 - 7 - HB3 MET 11 - HG2 GLN 134 lone 7 99 - 6 - Peak 4289 from cnoeabs.peaks (2.33, 2.65, 35.91 ppm; 4.00 A): 2 out of 5 assignments used, quality = 1.00: * HB3 GLN 134 + HG2 GLN 134 OK 100 100 - 100 - 2.9=100 HG3 GLU 30 + HG2 GLN 134 OK 46 99 - 47 - 784/2.9=7, 4298/1.8=7...(15) HG2 GLU 44 - HG2 GLN 134 OK 45 73 - 61 - 3.0/4291=9, 4298/1.8=7...(20) HB VAL 77 - HG2 GLN 134 OK 39 92 - 43 - 2.1/10595=20, 4298/1.8=6...(12) HG3 GLN 68 - HG2 GLN 134 OK 20 87 - 23 - 7967/3.5=4, 7959/3.5=4...(10) Peak 4290 from cnoeabs.peaks (2.65, 2.65, 35.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 134 + HG2 GLN 134 OK 100 100 - 100 Peak 4291 from cnoeabs.peaks (2.08, 2.65, 35.91 ppm; 3.20 A): 2 out of 7 assignments used, quality = 1.00: * HG3 GLN 134 + HG2 GLN 134 OK 100 100 - 100 - 1.8=100 HB3 GLU 44 + HG2 GLN 134 OK 48 96 - 51 - 4272/2.9=6, 1.8/4288=6...(23) HB2 GLU 128 - HG2 GLN 134 OK 25 100 - 25 - 4087/4.1=5...(10) HB3 LYS 39 - HG2 GLN 134 OK 15 98 - 16 - ~1152=3, ~1138=2...(8) HG3 PRO 58 - HG2 GLN 134 poor 9 57 - 16 - 1.8/4288=2, ~4297=1...(5) HB2 GLU 102 - HG2 GLN 134 lone 8 100 - 8 - 4272/2.9=1, 4282/2.9=1 HB VAL 57 - HG2 GLN 134 lone 1 73 - 2 - Peak 4292 from cnoeabs.peaks (6.89, 2.65, 35.91 ppm; 4.56 A): 1 out of 2 assignments used, quality = 1.00: * HE21 GLN 134 + HG2 GLN 134 OK 100 100 - 100 - 3.5=100 HE21 GLN 61 - HG2 GLN 134 lone 7 73 - 9 - 4301/1.8=2, 7952/4.9=2...(4) Peak 4293 from cnoeabs.peaks (7.13, 2.65, 35.91 ppm; 4.12 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 134 + HG2 GLN 134 OK 100 100 - 100 - 3.5=100 Peak 4294 from cnoeabs.peaks (7.31, 2.65, 35.91 ppm; 6.70 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 135 + HG2 GLN 134 OK 100 100 - 100 - 4.9=100 QD PHE 87 - HG2 GLN 134 OK 36 92 - 39 - 4303/1.8=10, 4285/2.9=9...(7) HZ PHE 89 - HG2 GLN 134 OK 23 81 - 29 - 4303/1.8=7, 4285/2.9=6...(5) Peak 4295 from cnoeabs.peaks (7.49, 2.08, 35.91 ppm; 4.14 A): 2 out of 3 assignments used, quality = 0.99: * H GLN 134 + HG3 GLN 134 OK 97 100 - 97 - 4.9=58, 7950/1.8=43...(14) H LEU 42 + HG3 GLN 134 OK 59 100 - 59 - 4286/1.8=13, 7964/3.5=11...(12) HE22 GLN 127 - HG3 GLN 134 lone 5 65 - 7 - 4286/1.8=1 Peak 4296 from cnoeabs.peaks (4.35, 2.08, 35.91 ppm; 3.81 A): 2 out of 2 assignments used, quality = 0.98: * HA GLN 134 + HG3 GLN 134 OK 96 100 - 96 - 4.1=82, 4261/1.8=38...(12) HA CYS 125 + HG3 GLN 134 OK 53 99 - 53 - 3986=12, 4287/1.8=11...(9) Peak 4297 from cnoeabs.peaks (2.02, 2.08, 35.91 ppm; 3.71 A): 2 out of 7 assignments used, quality = 1.00: * HB2 GLN 134 + HG3 GLN 134 OK 100 100 - 100 - 2.9=100 HB2 GLU 44 + HG3 GLN 134 OK 66 98 - 67 - 4288/1.8=8, 1405=7...(26) HB3 GLU 30 - HG3 GLN 134 OK 44 100 - 44 - 772/2.9=8, 4288/1.8=6...(17) HG2 ARG 90 - HG3 GLN 134 OK 32 99 - 32 - 3.8/10605=6...(11) HG2 PRO 58 - HG3 GLN 134 OK 19 87 - 22 - 4288/1.8=3, 4279/2.9=2...(6) HB3 MET 11 - HG3 GLN 134 lone 6 99 - 6 - HB VAL 63 - HG3 GLN 134 lone 6 100 - 6 - Peak 4298 from cnoeabs.peaks (2.33, 2.08, 35.91 ppm; 3.83 A): 1 out of 5 assignments used, quality = 1.00: * HB3 GLN 134 + HG3 GLN 134 OK 100 100 - 100 - 2.9=100 HG2 GLU 44 - HG3 GLN 134 OK 44 73 - 60 - 1.8/1427=7, 3.0/4297=7...(22) HG3 GLU 30 - HG3 GLN 134 OK 43 99 - 43 - 784/2.9=7, 4289/1.8=6...(15) HB VAL 77 - HG3 GLN 134 OK 34 92 - 37 - ~10595=15, 4289/1.8=5...(12) HG3 GLN 68 - HG3 GLN 134 OK 19 87 - 22 - 7967/3.5=3, 7959/3.5=3...(10) Peak 4299 from cnoeabs.peaks (2.65, 2.08, 35.91 ppm; 3.25 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 134 + HG3 GLN 134 OK 100 100 - 100 - 1.8=100 Peak 4300 from cnoeabs.peaks (2.08, 2.08, 35.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 134 + HG3 GLN 134 OK 100 100 - 100 Peak 4301 from cnoeabs.peaks (6.89, 2.08, 35.91 ppm; 5.08 A): 1 out of 2 assignments used, quality = 1.00: * HE21 GLN 134 + HG3 GLN 134 OK 100 100 - 100 - 3.5=100 HE21 GLN 61 - HG3 GLN 134 poor 8 73 - 10 - 4292/1.8=3, 7952/4.9=2...(4) Peak 4302 from cnoeabs.peaks (7.13, 2.08, 35.91 ppm; 4.37 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 134 + HG3 GLN 134 OK 100 100 - 100 - 3.5=100 Peak 4303 from cnoeabs.peaks (7.31, 2.08, 35.91 ppm; 5.84 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 135 + HG3 GLN 134 OK 100 100 - 100 - 4.9=100 QD PHE 87 - HG3 GLN 134 OK 30 92 - 32 - 4294/1.8=7, 4275/2.9=7...(6) HZ PHE 89 - HG3 GLN 134 OK 21 81 - 26 - 7954/4.9=5, 4275/2.9=5...(6) Peak 4304 from cnoeabs.peaks (7.31, 4.02, 58.76 ppm; 3.34 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 135 + HA ARG 135 OK 100 100 - 100 - 3.0=100 QD PHE 87 - HA ARG 135 OK 37 92 - 41 - 4320/3.0=6, 4312/3.0=6...(15) HZ PHE 89 - HA ARG 135 OK 11 81 - 14 - 4312/3.0=3, 4328/4.2=3...(7) Peak 4305 from cnoeabs.peaks (4.02, 4.02, 58.76 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ARG 135 + HA ARG 135 OK 100 100 - 100 Peak 4306 from cnoeabs.peaks (1.90, 4.02, 58.76 ppm; 3.29 A): 2 out of 6 assignments used, quality = 1.00: * HB2 ARG 135 + HA ARG 135 OK 100 100 - 100 - 3.0=100 HB2 GLU 40 + HA ARG 135 OK 47 98 - 48 - 1.8/4309=11, 4322/3.0=6...(16) HB3 ARG 84 - HA ARG 135 OK 41 99 - 42 - 3.0/11275=9, 2544/3.0=6...(16) HB3 LEU 48 - HA ARG 135 OK 15 73 - 20 - 3.0/4308=3, 4322/3.0=2...(10) HB2 PRO 113 - HA ARG 135 lone 3 73 - 3 - HB3 LEU 123 - HA ARG 135 lone 1 69 - 2 - Peak 4307 from cnoeabs.peaks (1.82, 4.02, 58.76 ppm; 3.41 A): 1 out of 11 assignments used, quality = 1.00: * HB3 ARG 135 + HA ARG 135 OK 100 100 - 100 - 3.0=100 HB2 ARG 84 - HA ARG 135 OK 28 65 - 43 - 3.0/11275=10, 1.8/4306=7...(16) HB ILE 32 - HA ARG 135 lone 9 100 - 9 - 7982/3.0=2, 4315/3.0=1...(4) HB2 LEU 100 - HA ARG 135 lone 8 96 - 8 - 7982/3.0=2, 4315/3.0=1 HB2 LYS 36 - HA ARG 135 lone 6 100 - 6 - 4315/3.0=1 HB3 LYS 26 - HA ARG 135 lone 5 100 - 5 - HB3 LYS 24 - HA ARG 135 lone 4 96 - 4 - HB3 ARG 23 - HA ARG 135 lone 4 92 - 4 - HB3 LYS 31 - HA ARG 135 lone 3 87 - 4 - HB3 LYS 19 - HA ARG 135 lone 3 87 - 3 - HB3 LEU 123 - HA ARG 135 lone 1 71 - 1 - Peak 4308 from cnoeabs.peaks (1.71, 4.02, 58.76 ppm; 3.29 A): 6 out of 6 assignments used, quality = 0.95: * HG2 ARG 135 + HA ARG 135 OK 82 100 - 82 - 4.2=49, 1.8/4309=20...(14) HG LEU 98 + HA ARG 135 OK 27 100 - 27 - 2.1/11373=5, 11371=4...(10) HD3 LYS 39 + HA ARG 135 OK 26 98 - 27 - 4324/3.0=4, 7983/3.0=4...(12) HG LEU 48 + HA ARG 135 OK 22 98 - 23 - 4324/3.0=3, 4316/3.0=3...(11) HB2 LEU 70 + HA ARG 135 OK 17 100 - 17 - 4324/3.0=2, 7983/3.0=2...(10) HB3 LEU 70 + HA ARG 135 OK 16 96 - 17 - 7983/3.0=2, 4324/3.0=2...(10) Peak 4309 from cnoeabs.peaks (2.03, 4.02, 58.76 ppm; 3.20 A): 2 out of 7 assignments used, quality = 0.88: * HG3 ARG 135 + HA ARG 135 OK 79 100 - 79 - 4.2=46, 1.8/4329=16...(13) HB3 GLU 40 + HA ARG 135 OK 43 98 - 44 - 1256/3.0=8, 1.8/4306=8...(14) HB3 GLU 91 - HA ARG 135 lone 10 100 - 10 - 4325/3.0=2, 7984/3.0=2...(6) HB2 GLU 44 - HA ARG 135 lone 4 65 - 6 - ~7977=2, 7984/3.0=2 HG2 PRO 58 - HA ARG 135 lone 4 87 - 4 - 7984/3.0=1 HB3 GLU 55 - HA ARG 135 lone 2 65 - 3 - QE MET 11 - HA ARG 135 lone 1 73 - 1 - Peak 4310 from cnoeabs.peaks (2.94, 4.02, 58.76 ppm; 4.56 A): 1 out of 5 assignments used, quality = 0.97: * HD2 ARG 135 + HA ARG 135 OK 97 100 - 97 - 5.0=75, 2.9/10613=27...(17) HB2 CYS 45 - HA ARG 135 OK 34 96 - 36 - 4326/3.0=7, 7985/3.0=7...(8) HE2 LYS 39 - HA ARG 135 OK 33 81 - 41 - 2.9/4308=6, 7985/3.0=6...(12) HG CYS 73 - HA ARG 135 OK 18 99 - 18 - ~11816=5, 7985/3.0=3...(7) HB3 ASN 116 - HA ARG 135 OK 17 92 - 19 - 4326/3.0=3, 4318/3.0=3...(7) Peak 4311 from cnoeabs.peaks (3.23, 4.02, 58.76 ppm; 4.79 A): 3 out of 5 assignments used, quality = 1.00: * HD3 ARG 135 + HA ARG 135 OK 99 100 - 99 - 5.0=87, 2.9/10613=30...(18) HB3 PHE 87 + HA ARG 135 OK 72 100 - 72 - 2.5/4304=12, 4327/3.0=10...(17) HB2 PHE 87 + HA ARG 135 OK 68 96 - 72 - 2.5/4304=12, 4327/3.0=10...(17) HB3 HIS 4 - HA ARG 135 lone 8 99 - 7 - 4319/3.0=1, 4327/3.0=1 HB2 HIS 5 - HA ARG 135 lone 6 99 - 6 - Peak 4312 from cnoeabs.peaks (7.31, 1.90, 31.04 ppm; 4.24 A): 2 out of 3 assignments used, quality = 1.00: * H ARG 135 + HB2 ARG 135 OK 100 100 - 100 - 4.0=100 QD PHE 87 + HB2 ARG 135 OK 59 92 - 65 - 4320/1.8=13, 4336/2.9=11...(13) HZ PHE 89 - HB2 ARG 135 OK 28 81 - 34 - 3.8/10614=16, 4328/2.9=6...(8) Peak 4313 from cnoeabs.peaks (4.02, 1.90, 31.04 ppm; 4.04 A): 1 out of 7 assignments used, quality = 1.00: * HA ARG 135 + HB2 ARG 135 OK 100 100 - 100 - 3.0=100 HB2 SER 38 - HB2 ARG 135 OK 27 98 - 28 - 4321/1.8=5, ~9046=5...(9) HA LYS 95 - HB2 ARG 135 OK 18 99 - 18 - 4321/1.8=3, 4329/2.9=3...(7) HA ILE 37 - HB2 ARG 135 OK 18 98 - 18 - 4321/1.8=3, 4337/2.9=3...(7) HA LEU 103 - HB2 ARG 135 OK 16 100 - 16 - 4321/1.8=3, 4337/2.9=3...(7) HA SER 60 - HB2 ARG 135 poor 10 73 - 13 - 4337/2.9=2, 4321/1.8=2...(7) HA LEU 119 - HB2 ARG 135 lone 4 73 - 5 - Peak 4314 from cnoeabs.peaks (1.90, 1.90, 31.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 135 + HB2 ARG 135 OK 100 100 - 100 Peak 4315 from cnoeabs.peaks (1.82, 1.90, 31.04 ppm; 3.34 A): 1 out of 11 assignments used, quality = 1.00: * HB3 ARG 135 + HB2 ARG 135 OK 100 100 - 100 - 1.8=100 HB2 ARG 84 - HB2 ARG 135 OK 36 65 - 56 - 3.0/2524=7, 2536=6...(24) HB ILE 32 - HB2 ARG 135 OK 10 100 - 10 - 4331/2.9=2, 4339/2.9=2...(6) HB2 LEU 100 - HB2 ARG 135 lone 9 96 - 9 - 4339/2.9=1, 4331/2.9=1...(4) HB2 LYS 36 - HB2 ARG 135 lone 7 100 - 7 - 4339/2.9=1, 4331/2.9=1 HB3 LYS 26 - HB2 ARG 135 lone 6 100 - 6 - HB3 LYS 24 - HB2 ARG 135 lone 5 96 - 5 - HB3 ARG 23 - HB2 ARG 135 lone 5 92 - 5 - HB3 LYS 31 - HB2 ARG 135 lone 4 87 - 4 - HB3 LYS 19 - HB2 ARG 135 lone 3 87 - 3 - HB3 LEU 123 - HB2 ARG 135 lone 1 71 - 1 - Peak 4316 from cnoeabs.peaks (1.71, 1.90, 31.04 ppm; 3.77 A): 2 out of 6 assignments used, quality = 1.00: * HG2 ARG 135 + HB2 ARG 135 OK 100 100 - 100 - 2.9=100 HD3 LYS 39 + HB2 ARG 135 OK 47 98 - 48 - 4324/1.8=7, 4340/2.9=6...(19) HG LEU 48 - HB2 ARG 135 OK 38 98 - 39 - 4324/1.8=5, 4340/2.9=4...(19) HG LEU 98 - HB2 ARG 135 OK 29 100 - 28 - 4308/3.0=5, 4324/1.8=4...(11) HB2 LEU 70 - HB2 ARG 135 OK 27 100 - 27 - 4324/1.8=4, 4340/2.9=3...(10) HB3 LEU 70 - HB2 ARG 135 OK 26 96 - 27 - 4324/1.8=4, 4340/2.9=3...(10) Peak 4317 from cnoeabs.peaks (2.03, 1.90, 31.04 ppm; 5.80 A): 2 out of 7 assignments used, quality = 1.00: * HG3 ARG 135 + HB2 ARG 135 OK 100 100 - 100 - 2.9=100 HB3 GLU 40 + HB2 ARG 135 OK 92 98 - 94 - 4325/1.8=17, 4333/2.9=16...(22) HB3 GLU 91 - HB2 ARG 135 OK 35 100 - 35 - 4325/1.8=5, 4357/3.7=5...(11) HG2 PRO 58 - HB2 ARG 135 OK 12 87 - 13 - 7984/4.0=2, 4325/1.8=2...(6) HB3 GLU 55 - HB2 ARG 135 poor 9 65 - 13 - 1271/1270=1, 1240/1239=1 HB2 GLU 44 - HB2 ARG 135 poor 7 65 - 11 - 7984/4.0=3, 4309/3.0=1 QE MET 11 - HB2 ARG 135 lone 4 73 - 5 - Peak 4318 from cnoeabs.peaks (2.94, 1.90, 31.04 ppm; 4.55 A): 2 out of 5 assignments used, quality = 1.00: * HD2 ARG 135 + HB2 ARG 135 OK 100 100 - 100 - 3.7=100 HB2 CYS 45 + HB2 ARG 135 OK 46 96 - 49 - ~11688=14, 4326/1.8=8...(10) HE2 LYS 39 - HB2 ARG 135 OK 41 81 - 51 - 4334/2.9=7, 4326/1.8=7...(14) HB3 ASN 116 - HB2 ARG 135 OK 25 92 - 27 - ~10200=8, 4326/1.8=4...(8) HG CYS 73 - HB2 ARG 135 OK 16 99 - 16 - 4310/3.0=3, 4326/1.8=3...(7) Peak 4319 from cnoeabs.peaks (3.23, 1.90, 31.04 ppm; 4.47 A): 3 out of 5 assignments used, quality = 1.00: * HD3 ARG 135 + HB2 ARG 135 OK 100 100 - 100 - 3.7=100 HB3 PHE 87 + HB2 ARG 135 OK 73 100 - 74 - 4327/1.8=12, 2.5/4312=12...(17) HB2 PHE 87 + HB2 ARG 135 OK 69 96 - 73 - 2.5/4312=12, 4327/1.8=11...(17) HB3 HIS 4 - HB2 ARG 135 lone 8 99 - 7 - 4327/1.8=1, 4343/2.9=1 HB2 HIS 5 - HB2 ARG 135 lone 6 99 - 6 - 4327/1.8=1 Peak 4320 from cnoeabs.peaks (7.31, 1.82, 31.04 ppm; 4.15 A): 2 out of 3 assignments used, quality = 1.00: * H ARG 135 + HB3 ARG 135 OK 100 100 - 100 - 4.0=100 QD PHE 87 + HB3 ARG 135 OK 58 92 - 63 - 4312/1.8=12, 4336/2.9=11...(13) HZ PHE 89 - HB3 ARG 135 OK 18 81 - 23 - 4328/2.9=6, 4312/1.8=6...(7) Peak 4321 from cnoeabs.peaks (4.02, 1.82, 31.04 ppm; 4.01 A): 1 out of 7 assignments used, quality = 1.00: * HA ARG 135 + HB3 ARG 135 OK 100 100 - 100 - 3.0=100 HB2 SER 38 - HB3 ARG 135 OK 26 98 - 27 - 4313/1.8=5, ~9046=5...(9) HA LYS 95 - HB3 ARG 135 OK 17 99 - 17 - 4313/1.8=3, 4329/2.9=3...(7) HA ILE 37 - HB3 ARG 135 OK 17 98 - 17 - 4313/1.8=3, 4337/2.9=3...(8) HA LEU 103 - HB3 ARG 135 OK 16 100 - 16 - 4313/1.8=3, 4337/2.9=3...(7) HA SER 60 - HB3 ARG 135 poor 9 73 - 13 - 4337/2.9=2, 4313/1.8=2...(7) HA LEU 119 - HB3 ARG 135 lone 4 73 - 5 - Peak 4322 from cnoeabs.peaks (1.90, 1.82, 31.04 ppm; 3.50 A): 3 out of 6 assignments used, quality = 1.00: * HB2 ARG 135 + HB3 ARG 135 OK 100 100 - 100 - 1.8=100 HB2 GLU 40 + HB3 ARG 135 OK 61 98 - 63 - 1.8/4325=11, 1250/2.9=9...(18) HB3 ARG 84 + HB3 ARG 135 OK 55 99 - 56 - ~2536=7, ~11275=6...(22) HB3 LEU 48 - HB3 ARG 135 OK 24 73 - 33 - 3.0/4324=4, ~1498=3...(19) HB2 PRO 113 - HB3 ARG 135 lone 4 73 - 5 - HB3 LEU 123 - HB3 ARG 135 lone 1 69 - 2 - Peak 4323 from cnoeabs.peaks (1.82, 1.82, 31.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ARG 135 + HB3 ARG 135 OK 100 100 - 100 Peak 4324 from cnoeabs.peaks (1.71, 1.82, 31.04 ppm; 3.33 A): 1 out of 6 assignments used, quality = 1.00: * HG2 ARG 135 + HB3 ARG 135 OK 100 100 - 100 - 2.9=100 HD3 LYS 39 - HB3 ARG 135 OK 38 98 - 39 - 4316/1.8=5, 4340/2.9=5...(17) HG LEU 48 - HB3 ARG 135 OK 29 98 - 29 - 4316/1.8=4, 4340/2.9=3...(14) HG LEU 98 - HB3 ARG 135 OK 21 100 - 21 - 4308/3.0=4, 4316/1.8=3...(10) HB2 LEU 70 - HB3 ARG 135 OK 21 100 - 21 - 4316/1.8=3, 4340/2.9=3...(9) HB3 LEU 70 - HB3 ARG 135 OK 20 96 - 21 - 4316/1.8=3, 4340/2.9=3...(10) Peak 4325 from cnoeabs.peaks (2.03, 1.82, 31.04 ppm; 3.74 A): 2 out of 7 assignments used, quality = 1.00: * HG3 ARG 135 + HB3 ARG 135 OK 100 100 - 100 - 2.9=100 HB3 GLU 40 + HB3 ARG 135 OK 68 98 - 70 - 1256/1.8=13, 4333/2.9=11...(18) HB3 GLU 91 - HB3 ARG 135 OK 18 100 - 18 - 4333/2.9=3, 4309/3.0=2...(10) HG2 PRO 58 - HB3 ARG 135 lone 6 87 - 7 - HB2 GLU 44 - HB3 ARG 135 lone 4 65 - 6 - 7984/4.0=2 HB3 GLU 55 - HB3 ARG 135 lone 3 65 - 5 - QE MET 11 - HB3 ARG 135 lone 2 73 - 2 - Peak 4326 from cnoeabs.peaks (2.94, 1.82, 31.04 ppm; 4.51 A): 2 out of 5 assignments used, quality = 1.00: * HD2 ARG 135 + HB3 ARG 135 OK 100 100 - 100 - 3.7=100 HB2 CYS 45 + HB3 ARG 135 OK 46 96 - 49 - ~11688=14, 4318/1.8=8...(10) HE2 LYS 39 - HB3 ARG 135 OK 40 81 - 50 - 4334/2.9=7, 2.9/4324=7...(15) HB3 ASN 116 - HB3 ARG 135 OK 24 92 - 27 - ~10200=8, 4318/1.8=4...(8) HG CYS 73 - HB3 ARG 135 OK 16 99 - 16 - 4310/3.0=3, 4318/1.8=3...(7) Peak 4327 from cnoeabs.peaks (3.23, 1.82, 31.04 ppm; 4.21 A): 3 out of 5 assignments used, quality = 1.00: * HD3 ARG 135 + HB3 ARG 135 OK 100 100 - 100 - 3.7=100 HB3 PHE 87 + HB3 ARG 135 OK 68 100 - 69 - 2.5/4320=11, 4319/1.8=10...(16) HB2 PHE 87 + HB3 ARG 135 OK 65 96 - 68 - 2.5/4320=11, 4319/1.8=9...(16) HB3 HIS 4 - HB3 ARG 135 lone 7 99 - 6 - 4319/1.8=1, 4335/2.9=1 HB2 HIS 5 - HB3 ARG 135 lone 6 99 - 5 - Peak 4328 from cnoeabs.peaks (7.31, 1.71, 27.30 ppm; 3.94 A): 2 out of 3 assignments used, quality = 0.97: * H ARG 135 + HG2 ARG 135 OK 93 100 - 93 - 5.0=50, 7984/1.8=27...(15) QD PHE 87 + HG2 ARG 135 OK 57 92 - 63 - 4336/1.8=12, 4320/2.9=9...(14) HZ PHE 89 - HG2 ARG 135 OK 31 81 - 39 - 3.8/10615=24, 4312/2.9=4...(8) Peak 4329 from cnoeabs.peaks (4.02, 1.71, 27.30 ppm; 3.63 A): 2 out of 7 assignments used, quality = 0.93: * HA ARG 135 + HG2 ARG 135 OK 91 100 - 91 - 4.2=66, 4309/1.8=23...(14) HB2 SER 38 + HG2 ARG 135 OK 24 98 - 25 - ~9046=5, 4337/1.8=5...(9) HA LYS 95 - HG2 ARG 135 OK 15 99 - 15 - 4337/1.8=3, 4313/2.9=2...(6) HA ILE 37 - HG2 ARG 135 OK 13 98 - 14 - 4337/1.8=3, 4313/2.9=2...(6) HA LEU 103 - HG2 ARG 135 OK 13 100 - 12 - 4337/1.8=3, 4321/2.9=2...(6) HA SER 60 - HG2 ARG 135 poor 8 73 - 11 - 4337/1.8=2, ~10978=2...(5) HA LEU 119 - HG2 ARG 135 lone 3 73 - 4 - Peak 4330 from cnoeabs.peaks (1.90, 1.71, 27.30 ppm; 3.25 A): 3 out of 6 assignments used, quality = 1.00: * HB2 ARG 135 + HG2 ARG 135 OK 100 100 - 100 - 2.9=100 HB2 GLU 40 + HG2 ARG 135 OK 59 98 - 61 - 1.8/4333=11, 1250/1.8=11...(20) HB3 ARG 84 + HG2 ARG 135 OK 46 99 - 47 - 4338/1.8=7, 2544/2.9=6...(19) HB3 LEU 48 - HG2 ARG 135 OK 25 73 - 34 - 1.8/1499=4, 4338/1.8=3...(16) HB2 PRO 113 - HG2 ARG 135 lone 3 73 - 4 - HB3 LEU 123 - HG2 ARG 135 lone 2 69 - 2 - Peak 4331 from cnoeabs.peaks (1.82, 1.71, 27.30 ppm; 3.14 A): 1 out of 11 assignments used, quality = 1.00: * HB3 ARG 135 + HG2 ARG 135 OK 100 100 - 100 - 2.9=100 HB2 ARG 84 - HG2 ARG 135 OK 27 65 - 42 - 1.8/4330=6, 4339/1.8=5...(17) HB ILE 32 - HG2 ARG 135 OK 11 100 - 11 - 4339/1.8=2, 4315/2.9=1...(5) HB2 LEU 100 - HG2 ARG 135 lone 7 96 - 8 - 4339/1.8=1, 4315/2.9=1 HB2 LYS 36 - HG2 ARG 135 lone 6 100 - 6 - 4339/1.8=1 HB3 LYS 26 - HG2 ARG 135 lone 6 100 - 6 - 4339/1.8=1 HB3 LYS 24 - HG2 ARG 135 lone 5 96 - 5 - HB3 ARG 23 - HG2 ARG 135 lone 4 92 - 4 - HB3 LYS 31 - HG2 ARG 135 lone 3 87 - 4 - HB3 LYS 19 - HG2 ARG 135 lone 3 87 - 3 - HB3 LEU 123 - HG2 ARG 135 lone 1 71 - 1 - Peak 4332 from cnoeabs.peaks (1.71, 1.71, 27.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 ARG 135 + HG2 ARG 135 OK 100 100 - 100 Peak 4333 from cnoeabs.peaks (2.03, 1.71, 27.30 ppm; 3.17 A): 2 out of 7 assignments used, quality = 1.00: * HG3 ARG 135 + HG2 ARG 135 OK 100 100 - 100 - 1.8=100 HB3 GLU 40 + HG2 ARG 135 OK 59 98 - 61 - 1.8/4330=8, 1256/2.9=8...(21) HB3 GLU 91 - HG2 ARG 135 OK 15 100 - 15 - ~2864=2, 4325/2.9=2...(9) HG2 PRO 58 - HG2 ARG 135 lone 5 87 - 5 - HB2 GLU 44 - HG2 ARG 135 lone 3 65 - 4 - HB3 GLU 55 - HG2 ARG 135 lone 3 65 - 4 - QE MET 11 - HG2 ARG 135 lone 1 73 - 1 - Peak 4334 from cnoeabs.peaks (2.94, 1.71, 27.30 ppm; 4.34 A): 3 out of 5 assignments used, quality = 1.00: * HD2 ARG 135 + HG2 ARG 135 OK 100 100 - 100 - 3.0=100 HE2 LYS 39 + HG2 ARG 135 OK 53 81 - 66 - 2.9/1200=7, 4.0/11689=7...(24) HB2 CYS 45 + HG2 ARG 135 OK 52 96 - 54 - ~11688=16, 4342/1.8=8...(13) HB3 ASN 116 - HG2 ARG 135 OK 28 92 - 31 - ~10200=10, 4342/1.8=5...(10) HG CYS 73 - HG2 ARG 135 OK 16 99 - 16 - 4342/1.8=3, 4318/2.9=2...(8) Peak 4335 from cnoeabs.peaks (3.23, 1.71, 27.30 ppm; 4.02 A): 3 out of 5 assignments used, quality = 1.00: * HD3 ARG 135 + HG2 ARG 135 OK 100 100 - 100 - 3.0=100 HB3 PHE 87 + HG2 ARG 135 OK 70 100 - 70 - 2.5/4328=11, 4343/1.8=9...(21) HB2 PHE 87 + HG2 ARG 135 OK 66 96 - 69 - 2.5/4328=11, 4343/1.8=8...(21) HB3 HIS 4 - HG2 ARG 135 lone 7 99 - 7 - 4343/1.8=1 HB2 HIS 5 - HG2 ARG 135 lone 6 99 - 5 - Peak 4336 from cnoeabs.peaks (7.31, 2.03, 27.30 ppm; 4.13 A): 2 out of 3 assignments used, quality = 0.98: * H ARG 135 + HG3 ARG 135 OK 94 100 - 94 - 5.0=58, 7982/2.9=24...(14) QD PHE 87 + HG3 ARG 135 OK 60 92 - 66 - 4328/1.8=13, 4320/2.9=10...(14) HZ PHE 89 - HG3 ARG 135 OK 19 81 - 23 - 4328/1.8=7, 4312/2.9=4...(7) Peak 4337 from cnoeabs.peaks (4.02, 2.03, 27.30 ppm; 3.45 A): 5 out of 7 assignments used, quality = 0.92: * HA ARG 135 + HG3 ARG 135 OK 86 100 - 86 - 4.2=57, 4329/1.8=18...(13) HB2 SER 38 + HG3 ARG 135 OK 19 98 - 20 - 4329/1.8=5, 1.8/9046=3...(8) HA LYS 95 + HG3 ARG 135 OK 12 99 - 13 - 4329/1.8=3, 4313/2.9=2...(6) HA ILE 37 + HG3 ARG 135 OK 12 98 - 12 - 4329/1.8=3, 4313/2.9=2...(6) HA LEU 103 + HG3 ARG 135 OK 11 100 - 11 - 4329/1.8=3, 4321/2.9=2...(5) HA SER 60 - HG3 ARG 135 poor 9 73 - 12 - 2.8/10978=3, 3.0/10976=2...(6) HA LEU 119 - HG3 ARG 135 lone 3 73 - 3 - Peak 4338 from cnoeabs.peaks (1.90, 2.03, 27.30 ppm; 3.04 A): 2 out of 6 assignments used, quality = 1.00: * HB2 ARG 135 + HG3 ARG 135 OK 100 100 - 100 - 2.9=100 HB2 GLU 40 + HG3 ARG 135 OK 60 98 - 62 - 1250=13, 4330/1.8=8...(22) HB3 ARG 84 - HG3 ARG 135 OK 41 99 - 42 - 4330/1.8=6, 2544/2.9=5...(17) HB3 LEU 48 - HG3 ARG 135 OK 19 73 - 26 - 4330/1.8=3, 3.0/4340=3...(13) HB2 PRO 113 - HG3 ARG 135 lone 3 73 - 4 - HB3 LEU 123 - HG3 ARG 135 lone 2 69 - 2 - Peak 4339 from cnoeabs.peaks (1.82, 2.03, 27.30 ppm; 3.59 A): 1 out of 11 assignments used, quality = 1.00: * HB3 ARG 135 + HG3 ARG 135 OK 100 100 - 100 - 2.9=100 HB2 ARG 84 - HG3 ARG 135 OK 34 65 - 52 - 1.8/4338=8, 4331/1.8=7...(19) HB ILE 32 - HG3 ARG 135 OK 13 100 - 13 - 4331/1.8=3, 4315/2.9=2...(6) HB2 LEU 100 - HG3 ARG 135 poor 10 96 - 10 - 4331/1.8=2, 4315/2.9=1...(4) HB2 LYS 36 - HG3 ARG 135 lone 8 100 - 8 - 4331/1.8=2, 4315/2.9=1...(4) HB3 LYS 26 - HG3 ARG 135 lone 8 100 - 7 - 4331/1.8=1, 4347/3.0=1...(4) HB3 LYS 24 - HG3 ARG 135 lone 6 96 - 6 - 4331/1.8=1, 4355/3.0=1 HB3 ARG 23 - HG3 ARG 135 lone 5 92 - 6 - 4331/1.8=1 HB3 LYS 31 - HG3 ARG 135 lone 5 87 - 5 - HB3 LYS 19 - HG3 ARG 135 lone 4 87 - 4 - HB3 LEU 123 - HG3 ARG 135 lone 1 71 - 2 - Peak 4340 from cnoeabs.peaks (1.71, 2.03, 27.30 ppm; 3.28 A): 1 out of 6 assignments used, quality = 1.00: * HG2 ARG 135 + HG3 ARG 135 OK 100 100 - 100 - 1.8=100 HD3 LYS 39 - HG3 ARG 135 OK 44 98 - 46 - 4348/3.0=5, 4356/3.0=5...(23) HG LEU 48 - HG3 ARG 135 OK 29 98 - 30 - 4324/2.9=3, 4316/2.9=3...(16) HB2 LEU 70 - HG3 ARG 135 OK 23 100 - 23 - 4324/2.9=2, 4356/3.0=2...(12) HB3 LEU 70 - HG3 ARG 135 OK 22 96 - 23 - 4324/2.9=2, 4356/3.0=2...(11) HG LEU 98 - HG3 ARG 135 OK 16 100 - 16 - 4308/4.2=3, 4324/2.9=2...(7) Peak 4341 from cnoeabs.peaks (2.03, 2.03, 27.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 135 + HG3 ARG 135 OK 100 100 - 100 Peak 4342 from cnoeabs.peaks (2.94, 2.03, 27.30 ppm; 4.43 A): 3 out of 5 assignments used, quality = 1.00: * HD2 ARG 135 + HG3 ARG 135 OK 100 100 - 100 - 3.0=100 HB2 CYS 45 + HG3 ARG 135 OK 57 96 - 60 - 3.0/11688=24, 4334/1.8=8...(13) HE2 LYS 39 + HG3 ARG 135 OK 45 81 - 57 - 4334/1.8=8, 2.9/4340=8...(18) HB3 ASN 116 - HG3 ARG 135 OK 32 92 - 35 - 3.0/10200=10...(11) HG CYS 73 - HG3 ARG 135 OK 17 99 - 17 - 4334/1.8=3, 4318/2.9=2...(8) Peak 4343 from cnoeabs.peaks (3.23, 2.03, 27.30 ppm; 4.69 A): 3 out of 5 assignments used, quality = 1.00: * HD3 ARG 135 + HG3 ARG 135 OK 100 100 - 100 - 3.0=100 HB3 PHE 87 + HG3 ARG 135 OK 81 100 - 81 - 2.5/4336=14, 4335/1.8=13...(21) HB2 PHE 87 + HG3 ARG 135 OK 77 96 - 80 - 2.5/4336=14, 4335/1.8=12...(21) HB3 HIS 4 - HG3 ARG 135 lone 10 99 - 9 - 4335/1.8=1, ~35=1...(5) HB2 HIS 5 - HG3 ARG 135 lone 8 99 - 7 - 4335/1.8=1 Peak 4344 from cnoeabs.peaks (7.31, 2.94, 44.19 ppm; 6.80 A): 2 out of 3 assignments used, quality = 1.00: * H ARG 135 + HD2 ARG 135 OK 100 100 - 100 - 6.2=100 QD PHE 87 + HD2 ARG 135 OK 80 92 - 87 - ~11885=24, 4352/1.8=19...(13) HZ PHE 89 - HD2 ARG 135 OK 33 81 - 40 - 4328/3.0=9, 11865/2.9=8...(8) Peak 4345 from cnoeabs.peaks (4.02, 2.94, 44.19 ppm; 5.14 A): 1 out of 7 assignments used, quality = 1.00: * HA ARG 135 + HD2 ARG 135 OK 100 100 - 100 - 5.0=100 HB2 SER 38 - HD2 ARG 135 OK 36 98 - 37 - ~9046=8, 4329/3.0=7...(8) HA LYS 95 - HD2 ARG 135 OK 25 99 - 25 - 4353/1.8=4, 4329/3.0=4...(8) HA ILE 37 - HD2 ARG 135 OK 22 98 - 22 - 4353/1.8=4, 4337/3.0=4...(7) HA LEU 103 - HD2 ARG 135 OK 21 100 - 21 - 4353/1.8=4, 4329/3.0=3...(7) HA SER 60 - HD2 ARG 135 OK 13 73 - 18 - ~10978=3, ~10976=3...(7) HA LEU 119 - HD2 ARG 135 lone 6 73 - 8 - 11867/2.9=1, 4353/1.8=1 Peak 4346 from cnoeabs.peaks (1.90, 2.94, 44.19 ppm; 4.05 A): 3 out of 6 assignments used, quality = 1.00: * HB2 ARG 135 + HD2 ARG 135 OK 100 100 - 100 - 3.7=100 HB2 GLU 40 + HD2 ARG 135 OK 65 98 - 66 - 1.8/4349=13, 1250/3.0=11...(15) HB3 ARG 84 + HD2 ARG 135 OK 54 99 - 55 - 4354/1.8=9, 4330/3.0=7...(14) HB3 LEU 48 - HD2 ARG 135 OK 23 73 - 32 - 4330/3.0=4, 3.0/4348=4...(14) HB2 PRO 113 - HD2 ARG 135 lone 3 73 - 4 - HB3 LEU 123 - HD2 ARG 135 lone 2 69 - 3 - Peak 4347 from cnoeabs.peaks (1.82, 2.94, 44.19 ppm; 4.16 A): 1 out of 11 assignments used, quality = 1.00: * HB3 ARG 135 + HD2 ARG 135 OK 100 100 - 100 - 3.7=100 HB2 ARG 84 - HD2 ARG 135 OK 36 65 - 55 - 1.8/4346=9, 4355/1.8=7...(14) HB ILE 32 - HD2 ARG 135 OK 15 100 - 15 - 4355/1.8=3, 4331/3.0=2...(7) HB3 LYS 26 - HD2 ARG 135 OK 10 100 - 10 - 4355/1.8=2, 10749/9660=2...(6) HB2 LEU 100 - HD2 ARG 135 poor 10 96 - 10 - 4355/1.8=2, 4339/3.0=2...(5) HB2 LYS 36 - HD2 ARG 135 lone 9 100 - 9 - 4355/1.8=2, 4339/3.0=2...(5) HB3 LYS 24 - HD2 ARG 135 lone 8 96 - 8 - 4355/1.8=2, 4339/3.0=1...(4) HB3 ARG 23 - HD2 ARG 135 lone 6 92 - 6 - 4355/1.8=1, 4339/3.0=1 HB3 LYS 31 - HD2 ARG 135 lone 5 87 - 6 - 4355/1.8=1 HB3 LYS 19 - HD2 ARG 135 lone 4 87 - 5 - HB3 LEU 123 - HD2 ARG 135 lone 2 71 - 2 - Peak 4348 from cnoeabs.peaks (1.71, 2.94, 44.19 ppm; 3.78 A): 2 out of 6 assignments used, quality = 1.00: * HG2 ARG 135 + HD2 ARG 135 OK 100 100 - 100 - 3.0=100 HD3 LYS 39 + HD2 ARG 135 OK 56 98 - 57 - 4356/1.8=8, 4340/3.0=6...(24) HG LEU 48 - HD2 ARG 135 OK 30 98 - 31 - 4356/1.8=4, 4340/3.0=4...(15) HB2 LEU 70 - HD2 ARG 135 OK 27 100 - 27 - 4356/1.8=4, 4340/3.0=3...(11) HB3 LEU 70 - HD2 ARG 135 OK 26 96 - 27 - 4356/1.8=4, 4340/3.0=3...(10) HG LEU 98 - HD2 ARG 135 OK 18 100 - 18 - 4316/3.7=3, 4356/1.8=3...(7) Peak 4349 from cnoeabs.peaks (2.03, 2.94, 44.19 ppm; 3.82 A): 2 out of 7 assignments used, quality = 1.00: * HG3 ARG 135 + HD2 ARG 135 OK 100 100 - 100 - 3.0=100 HB3 GLU 40 + HD2 ARG 135 OK 65 98 - 67 - 4357/1.8=12, 4333/3.0=11...(17) HB3 GLU 91 - HD2 ARG 135 OK 19 100 - 19 - 4357/1.8=4, 4333/3.0=3...(10) HG2 PRO 58 - HD2 ARG 135 lone 6 87 - 6 - 4357/1.8=1 HB2 GLU 44 - HD2 ARG 135 lone 5 65 - 8 - 4.7/6544=4 HB3 GLU 55 - HD2 ARG 135 lone 4 65 - 5 - QE MET 11 - HD2 ARG 135 lone 2 73 - 3 - Peak 4350 from cnoeabs.peaks (2.94, 2.94, 44.19 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 135 + HD2 ARG 135 OK 100 100 - 100 Peak 4351 from cnoeabs.peaks (3.23, 2.94, 44.19 ppm; 3.12 A): 1 out of 5 assignments used, quality = 1.00: * HD3 ARG 135 + HD2 ARG 135 OK 100 100 - 100 - 1.8=100 HB3 PHE 87 - HD2 ARG 135 OK 43 100 - 43 - 4335/3.0=5, 11869/2.9=5...(19) HB2 PHE 87 - HD2 ARG 135 OK 40 96 - 42 - 4335/3.0=5, 11869/2.9=4...(19) HB3 HIS 4 - HD2 ARG 135 lone 4 99 - 4 - HB2 HIS 5 - HD2 ARG 135 lone 3 99 - 3 - Peak 4352 from cnoeabs.peaks (7.31, 3.23, 44.19 ppm; 4.76 A): 2 out of 3 assignments used, quality = 0.99: * H ARG 135 + HD3 ARG 135 OK 97 100 - 97 - 6.2=45, 7984/3.0=26...(19) QD PHE 87 + HD3 ARG 135 OK 73 92 - 80 - 2.2/11885=20...(16) HZ PHE 89 - HD3 ARG 135 OK 22 81 - 27 - 4328/3.0=7, 11865/2.9=6...(7) Peak 4353 from cnoeabs.peaks (4.02, 3.23, 44.19 ppm; 5.10 A): 1 out of 7 assignments used, quality = 1.00: * HA ARG 135 + HD3 ARG 135 OK 100 100 - 100 - 5.0=100 HB2 SER 38 - HD3 ARG 135 OK 35 98 - 36 - ~9046=8, 4329/3.0=6...(8) HA LYS 95 - HD3 ARG 135 OK 23 99 - 23 - 4345/1.8=4, 4329/3.0=4...(7) HA ILE 37 - HD3 ARG 135 OK 22 98 - 22 - 4345/1.8=4, 4337/3.0=4...(7) HA LEU 103 - HD3 ARG 135 OK 21 100 - 21 - 4345/1.8=4, 4329/3.0=3...(7) HA SER 60 - HD3 ARG 135 OK 13 73 - 17 - ~10978=3, ~10976=3...(7) HA LEU 119 - HD3 ARG 135 lone 6 73 - 7 - 11867/2.9=1, 4345/1.8=1 Peak 4354 from cnoeabs.peaks (1.90, 3.23, 44.19 ppm; 3.97 A): 3 out of 6 assignments used, quality = 1.00: * HB2 ARG 135 + HD3 ARG 135 OK 100 100 - 100 - 3.7=100 HB2 GLU 40 + HD3 ARG 135 OK 63 98 - 65 - 1.8/4357=12, 1250/3.0=11...(15) HB3 ARG 84 + HD3 ARG 135 OK 56 99 - 56 - 4.7/11885=8, 4346/1.8=8...(15) HB3 LEU 48 - HD3 ARG 135 OK 22 73 - 30 - 4330/3.0=4, 3.0/4356=4...(14) HB2 PRO 113 - HD3 ARG 135 lone 4 73 - 5 - HB3 LEU 123 - HD3 ARG 135 lone 2 69 - 3 - Peak 4355 from cnoeabs.peaks (1.82, 3.23, 44.19 ppm; 3.97 A): 1 out of 11 assignments used, quality = 1.00: * HB3 ARG 135 + HD3 ARG 135 OK 100 100 - 100 - 3.7=100 HB2 ARG 84 - HD3 ARG 135 OK 36 65 - 55 - 1.8/4354=8, 4.7/11885=8...(14) HB ILE 32 - HD3 ARG 135 OK 13 100 - 13 - 4347/1.8=2, 4331/3.0=2...(5) HB2 LEU 100 - HD3 ARG 135 lone 9 96 - 10 - 4347/1.8=2, 4339/3.0=2...(5) HB3 LYS 26 - HD3 ARG 135 lone 9 100 - 8 - 4347/1.8=2, 4339/3.0=1...(5) HB2 LYS 36 - HD3 ARG 135 lone 8 100 - 8 - 4347/1.8=2, 4339/3.0=1...(5) HB3 LYS 24 - HD3 ARG 135 lone 8 96 - 8 - 4.7/10623=1, 4347/1.8=1...(5) HB3 ARG 23 - HD3 ARG 135 lone 5 92 - 6 - 4347/1.8=1 HB3 LYS 31 - HD3 ARG 135 lone 5 87 - 6 - HB3 LYS 19 - HD3 ARG 135 lone 4 87 - 5 - HB3 LEU 123 - HD3 ARG 135 lone 1 71 - 2 - Peak 4356 from cnoeabs.peaks (1.71, 3.23, 44.19 ppm; 3.84 A): 2 out of 6 assignments used, quality = 1.00: * HG2 ARG 135 + HD3 ARG 135 OK 100 100 - 100 - 3.0=100 HD3 LYS 39 + HD3 ARG 135 OK 57 98 - 58 - 4348/1.8=8, 3.0/10640=6...(23) HG LEU 48 - HD3 ARG 135 OK 31 98 - 32 - 4348/1.8=5, 4340/3.0=4...(15) HB2 LEU 70 - HD3 ARG 135 OK 29 100 - 29 - 4348/1.8=4, 4340/3.0=3...(12) HB3 LEU 70 - HD3 ARG 135 OK 27 96 - 28 - 4348/1.8=4, 4340/3.0=3...(12) HG LEU 98 - HD3 ARG 135 OK 18 100 - 18 - 4316/3.7=3, 4348/1.8=3...(7) Peak 4357 from cnoeabs.peaks (2.03, 3.23, 44.19 ppm; 4.02 A): 2 out of 7 assignments used, quality = 1.00: * HG3 ARG 135 + HD3 ARG 135 OK 100 100 - 100 - 3.0=100 HB3 GLU 40 + HD3 ARG 135 OK 69 98 - 71 - 4349/1.8=13, 4333/3.0=12...(17) HB3 GLU 91 - HD3 ARG 135 OK 21 100 - 21 - 4349/1.8=4, 4333/3.0=3...(10) HG2 PRO 58 - HD3 ARG 135 lone 6 87 - 7 - 4349/1.8=1 HB3 GLU 55 - HD3 ARG 135 lone 4 65 - 6 - HB2 GLU 44 - HD3 ARG 135 lone 4 65 - 6 - 4349/1.8=1 QE MET 11 - HD3 ARG 135 lone 2 73 - 3 - Peak 4358 from cnoeabs.peaks (2.94, 3.23, 44.19 ppm; 3.03 A): 1 out of 5 assignments used, quality = 1.00: * HD2 ARG 135 + HD3 ARG 135 OK 100 100 - 100 - 1.8=100 HB2 CYS 45 - HD3 ARG 135 OK 25 96 - 26 - ~11688=5, ~1448=4...(11) HE2 LYS 39 - HD3 ARG 135 OK 24 81 - 30 - 2.9/4356=4, 11870/2.9=3...(16) HB3 ASN 116 - HD3 ARG 135 OK 13 92 - 14 - ~10200=3, ~3658=2...(8) HG CYS 73 - HD3 ARG 135 lone 7 99 - 7 - 11870/2.9=1 Peak 4359 from cnoeabs.peaks (3.23, 3.23, 44.19 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 135 + HD3 ARG 135 OK 100 100 - 100 Peak 5501 from cnoeabs.peaks (4.22, 7.15, 118.65 ppm; 4.45 A): 3 out of 6 assignments used, quality = 0.91: * HA HIS 67 + HD2 HIS 67 OK 88 100 - 88 - 4.7=83, 2.9/6870=21...(6) HA SER 99 + HD2 HIS 67 OK 16 100 - 16 - 2112/4.0=4, 2104/4.0=4...(6) HA SER 51 + HD2 HIS 67 OK 13 100 - 13 - 2104/4.0=4, 2112/4.0=4...(4) HB3 SER 38 - HD2 HIS 67 lone 5 92 - 5 - 2112/4.0=2, 2104/4.0=1 HA ALA 34 - HD2 HIS 67 lone 2 81 - 2 - HA GLU 30 - HD2 HIS 67 lone 1 73 - 2 - Peak 5502 from cnoeabs.peaks (3.34, 7.15, 118.65 ppm; 5.08 A): 2 out of 3 assignments used, quality = 1.00: * HB2 HIS 67 + HD2 HIS 67 OK 100 100 - 100 - 4.0=100 HB3 TYR 72 + HD2 HIS 67 OK 57 99 - 57 - 2316=16, 1.8/2308=11...(9) HB3 PHE 89 - HD2 HIS 67 lone 3 65 - 4 - Peak 5503 from cnoeabs.peaks (3.41, 7.15, 118.65 ppm; 5.45 A): 1 out of 2 assignments used, quality = 1.00: * HB3 HIS 67 + HD2 HIS 67 OK 100 100 - 100 - 4.0=100 HA LYS 39 - HD2 HIS 67 OK 27 99 - 27 - 2095/4.7=11, 2106/4.0=9...(4) Peak 5504 from cnoeabs.peaks (7.15, 7.15, 118.65 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 HIS 67 + HD2 HIS 67 OK 100 100 - 100 Peak 5508 from cnoeabs.peaks (4.55, 7.15, 131.84 ppm; 4.98 A): 1 out of 1 assignment used, quality = 1.00: * HA TYR 72 + QD TYR 72 OK 100 100 - 100 - 3.4=100 Peak 5509 from cnoeabs.peaks (3.02, 7.15, 131.84 ppm; 6.80 A): 1 out of 2 assignments used, quality = 1.00: * HB2 TYR 72 + QD TYR 72 OK 100 100 - 100 - 2.7=100 HB2 HIS 3 - QD TYR 72 OK 28 99 - 28 - 2314/2.7=8, 2298/3.4=8...(6) Peak 5510 from cnoeabs.peaks (3.34, 7.15, 131.84 ppm; 6.80 A): 2 out of 3 assignments used, quality = 1.00: * HB3 TYR 72 + QD TYR 72 OK 100 100 - 100 - 2.7=100 HB2 HIS 67 + QD TYR 72 OK 76 99 - 77 - 2107=18, 2307/2.7=16...(12) HB3 PHE 89 - QD TYR 72 OK 23 81 - 28 - ~2769=6, ~5536=5...(7) Peak 5511 from cnoeabs.peaks (7.15, 7.15, 131.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD TYR 72 + QD TYR 72 OK 100 100 - 100 Peak 5512 from cnoeabs.peaks (6.81, 7.15, 131.84 ppm; 3.65 A): 1 out of 1 assignment used, quality = 1.00: * QE TYR 72 + QD TYR 72 OK 100 100 - 100 - 2.2=100 Peak 5513 from cnoeabs.peaks (7.15, 6.81, 118.26 ppm; 2.74 A): 1 out of 2 assignments used, quality = 1.00: * QD TYR 72 + QE TYR 72 OK 100 100 - 100 - 2.2=100 HD2 HIS 67 - QE TYR 72 lone 7 96 - 8 - 2316/4.5=2, 2308/4.5=2 Peak 5514 from cnoeabs.peaks (6.81, 6.81, 118.26 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE TYR 72 + QE TYR 72 OK 100 100 - 100 Peak 5516 from cnoeabs.peaks (2.76, 6.50, 133.03 ppm; 6.80 A): 1 out of 3 assignments used, quality = 1.00: * HB2 TYR 76 + QD TYR 76 OK 100 100 - 100 - 2.6=100 HB2 ASP 64 - QD TYR 76 OK 11 73 - 14 - 2363/3.1=3, 2377/2.6=3...(5) HB3 ASP 35 - QD TYR 76 lone 6 65 - 10 - 2363/3.1=2, 7037/5.0=2...(4) Peak 5517 from cnoeabs.peaks (3.13, 6.50, 133.03 ppm; 6.80 A): 2 out of 3 assignments used, quality = 1.00: * HB3 TYR 76 + QD TYR 76 OK 100 100 - 100 - 2.6=100 HB3 CYS 45 + QD TYR 76 OK 52 100 - 52 - 2371/2.6=13, 2364/3.1=11...(7) HB2 HIS 8 - QD TYR 76 OK 16 96 - 16 - 2371/2.6=4, 2364/3.1=3...(6) Peak 5518 from cnoeabs.peaks (6.50, 6.50, 133.03 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD TYR 76 + QD TYR 76 OK 100 100 - 100 Peak 5519 from cnoeabs.peaks (6.47, 6.50, 133.03 ppm; 4.44 A): 1 out of 1 assignment used, quality = 1.00: * QE TYR 76 + QD TYR 76 OK 100 100 - 100 - 2.2=100 Peak 5520 from cnoeabs.peaks (6.50, 6.47, 116.95 ppm; 3.04 A): 1 out of 1 assignment used, quality = 1.00: * QD TYR 76 + QE TYR 76 OK 100 100 - 100 - 2.2=100 Peak 5521 from cnoeabs.peaks (6.47, 6.47, 116.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE TYR 76 + QE TYR 76 OK 100 100 - 100 Peak 5522 from cnoeabs.peaks (4.26, 7.32, 131.40 ppm; 5.20 A): 1 out of 5 assignments used, quality = 1.00: * HA PHE 87 + QD PHE 87 OK 100 100 - 100 - 3.7=100 HA LYS 19 - QD PHE 87 OK 16 99 - 16 - 5.2/9836=3, 5.2/9836=3...(6) HA LYS 26 - QD PHE 87 lone 6 96 - 6 - 7164/4.2=1 HB THR 115 - QD PHE 87 lone 2 65 - 2 - HA LYS 36 - QD PHE 87 lone 1 57 - 2 - Peak 5523 from cnoeabs.peaks (3.23, 7.32, 131.40 ppm; 4.66 A): 3 out of 5 assignments used, quality = 1.00: * HB2 PHE 87 + QD PHE 87 OK 100 100 - 100 - 2.5=100 HB3 PHE 87 + QD PHE 87 OK 96 96 - 100 - 2.5=100 HD3 ARG 135 + QD PHE 87 OK 71 96 - 75 - 11885/2.2=18...(16) HB3 HIS 4 - QD PHE 87 lone 3 99 - 3 - HB2 HIS 5 - QD PHE 87 lone 2 99 - 2 - Peak 5524 from cnoeabs.peaks (3.23, 7.32, 131.40 ppm; 4.66 A): 3 out of 5 assignments used, quality = 1.00: * HB3 PHE 87 + QD PHE 87 OK 100 100 - 100 - 2.5=100 HB2 PHE 87 + QD PHE 87 OK 96 96 - 100 - 2.5=100 HD3 ARG 135 + QD PHE 87 OK 76 100 - 76 - 11885/2.2=19...(16) HB3 HIS 4 - QD PHE 87 lone 3 99 - 3 - HB2 HIS 5 - QD PHE 87 lone 2 99 - 2 - Peak 5525 from cnoeabs.peaks (7.32, 7.32, 131.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD PHE 87 + QD PHE 87 OK 100 100 - 100 Peak 5526 from cnoeabs.peaks (7.27, 7.32, 131.40 ppm; 2.58 A): 1 out of 3 assignments used, quality = 1.00: * QE PHE 87 + QD PHE 87 OK 100 100 - 100 - 2.2=100 H ASN 85 - QD PHE 87 OK 15 99 - 15 - 7115/4.2=4, 2719/3.7=3...(6) HD2 HIS 10 - QD PHE 87 lone 1 81 - 1 - Peak 5528 from cnoeabs.peaks (7.32, 7.27, 130.01 ppm; 2.96 A): 1 out of 2 assignments used, quality = 1.00: * QD PHE 87 + QE PHE 87 OK 100 100 - 100 - 2.2=100 H ARG 135 - QE PHE 87 OK 12 92 - 13 - ~4304=2, 7986/4.4=2...(7) Peak 5529 from cnoeabs.peaks (7.27, 7.27, 130.01 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE PHE 87 + QE PHE 87 OK 100 100 - 100 Peak 5531 from cnoeabs.peaks (7.32, 7.10, 129.20 ppm; 4.48 A): 1 out of 2 assignments used, quality = 1.00: * QD PHE 87 + HZ PHE 87 OK 100 100 - 100 - 3.8=100 H ARG 135 - HZ PHE 87 OK 15 92 - 16 - 5528/2.2=5, 7986/5.8=4...(5) Peak 5532 from cnoeabs.peaks (7.27, 7.10, 129.20 ppm; 3.43 A): 1 out of 3 assignments used, quality = 1.00: * QE PHE 87 + HZ PHE 87 OK 100 100 - 100 - 2.2=100 H ASN 85 - HZ PHE 87 OK 12 99 - 13 - 5526/3.8=3, 7115/7.9=3...(5) HD2 HIS 10 - HZ PHE 87 lone 1 81 - 1 - Peak 5533 from cnoeabs.peaks (7.10, 7.10, 129.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HZ PHE 87 + HZ PHE 87 OK 100 100 - 100 Peak 5534 from cnoeabs.peaks (4.08, 7.07, 131.30 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * HA PHE 89 + QD PHE 89 OK 100 100 - 100 - 3.1=100 HA GLN 104 + QD PHE 89 OK 60 98 - 61 - 2776/2.7=15, 2767/2.7=15...(9) Peak 5535 from cnoeabs.peaks (3.31, 7.07, 131.30 ppm; 6.80 A): 2 out of 2 assignments used, quality = 1.00: * HB2 PHE 89 + QD PHE 89 OK 100 100 - 100 - 2.7=100 HB3 CYS 73 + QD PHE 89 OK 56 81 - 70 - ~11124=39, ~2322=11...(9) Peak 5536 from cnoeabs.peaks (3.33, 7.07, 131.30 ppm; 6.80 A): 1 out of 3 assignments used, quality = 1.00: * HB3 PHE 89 + QD PHE 89 OK 100 100 - 100 - 2.7=100 HB3 TYR 72 - QD PHE 89 OK 23 81 - 29 - 2769/2.7=6, 2758/3.1=5...(8) HB2 HIS 67 - QD PHE 89 poor 7 65 - 11 - 2769/2.7=2, 2758/3.1=2...(4) Peak 5537 from cnoeabs.peaks (7.07, 7.07, 131.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD PHE 89 + QD PHE 89 OK 100 100 - 100 Peak 5538 from cnoeabs.peaks (7.40, 7.07, 131.30 ppm; 4.74 A): 1 out of 1 assignment used, quality = 1.00: * QE PHE 89 + QD PHE 89 OK 100 100 - 100 - 2.2=100 Peak 5540 from cnoeabs.peaks (7.07, 7.40, 130.90 ppm; 5.02 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 89 + QE PHE 89 OK 100 100 - 100 - 2.2=100 Peak 5541 from cnoeabs.peaks (7.40, 7.40, 130.90 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE PHE 89 + QE PHE 89 OK 100 100 - 100 Peak 5542 from cnoeabs.peaks (7.30, 7.40, 130.90 ppm; 3.92 A): 1 out of 2 assignments used, quality = 1.00: * HZ PHE 89 + QE PHE 89 OK 100 100 - 100 - 2.2=100 H ARG 135 - QE PHE 89 OK 23 81 - 28 - 10612/2.2=20...(4) Peak 5543 from cnoeabs.peaks (7.07, 7.30, 129.21 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 89 + HZ PHE 89 OK 100 100 - 100 - 3.8=100 Peak 5544 from cnoeabs.peaks (7.40, 7.30, 129.21 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: * QE PHE 89 + HZ PHE 89 OK 100 100 - 100 - 2.2=100 Peak 5545 from cnoeabs.peaks (7.30, 7.30, 129.21 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HZ PHE 89 + HZ PHE 89 OK 100 100 - 100 Peak 9002 from cnoeabs.peaks (0.61, 0.94, 17.33 ppm; 4.43 A): 0 out of 1 assignment used, low quality = 0.20: QD1 LEU 100 - QG2 ILE 37 OK 20 96 - 21 - 11388/3.0=8, ~11387=5...(5) Peak 9003 from cnoeabs.peaks (4.23, 1.97, 38.06 ppm; 4.12 A): 5 out of 7 assignments used, quality = 0.85: HA ALA 34 + HB ILE 37 OK 51 73 - 69 - 2.1/10908=27, ~10915=17...(8) HB3 SER 38 + HB ILE 37 OK 40 57 - 70 - 3.9/6422=21, ~9015=17...(15) HA SER 94 + HB ILE 37 OK 33 100 - 33 - ~11917=14, 9004/2.1=8...(11) HA ALA 28 + HB ILE 37 OK 13 92 - 14 - 3.0/6297=6, ~9023=4, 9004/2.1=3 HA SER 124 + HB ILE 37 OK 11 73 - 14 - 9004/2.1=3, ~7765=3...(4) HA ALA 29 - HB ILE 37 lone 9 96 - 10 - 10780/3.2=3, 9004/2.1=2 HA GLU 30 - HB ILE 37 lone 4 81 - 4 - Peak 9004 from cnoeabs.peaks (4.23, 0.94, 17.33 ppm; 4.47 A): 5 out of 7 assignments used, quality = 0.81: HA ALA 34 + QG2 ILE 37 OK 40 57 - 69 - ~10908=22, ~10915=19...(10) HA SER 94 + QG2 ILE 37 OK 38 99 - 38 - 2.9/11917=20, 9003/2.1=8...(10) HA GLN 27 + QG2 ILE 37 OK 29 65 - 44 - 3.0/1090=11, 3.6/9023=6...(10) HA SER 124 + QG2 ILE 37 OK 16 87 - 19 - ~7765=3, 2.9/7767=3...(6) HA ALA 28 + QG2 ILE 37 OK 15 98 - 16 - 3.0/9023=6, ~6297=4, 9003/2.1=3 HA ALA 29 - QG2 ILE 37 poor 10 87 - 11 - 10780/3.0=3, 9003/2.1=2 HA GLU 30 - QG2 ILE 37 lone 3 65 - 5 - Peak 9005 from cnoeabs.peaks (4.22, 1.28, 27.60 ppm; 4.71 A): 2 out of 7 assignments used, quality = 0.97: HB3 SER 38 + HG12 ILE 37 OK 83 98 - 84 - 3.0/9016=28, 3.9/6424=21...(15) HA ALA 34 + HG12 ILE 37 OK 82 92 - 89 - 2.1/10915=40, 10871=39...(11) HA SER 51 - HG12 ILE 37 OK 37 98 - 38 - 3.0/1103=11, ~1119=8...(8) HA GLU 30 - HG12 ILE 37 lone 6 87 - 6 - ~11570=1, 9006/1.8=1 HA ALA 29 - HG12 ILE 37 lone 5 65 - 8 - 10780/2.1=3, 9006/1.8=2 HA SER 99 - HG12 ILE 37 lone 5 99 - 5 - 1123/9016=1 HA HIS 67 - HG12 ILE 37 lone 4 99 - 4 - ~9468=1 Peak 9006 from cnoeabs.peaks (4.22, 1.56, 27.60 ppm; 4.60 A): 2 out of 8 assignments used, quality = 0.97: HA ALA 34 + HG13 ILE 37 OK 86 100 - 87 - 10871/1.8=39, ~10915=28...(9) HB3 SER 38 + HG13 ILE 37 OK 81 98 - 83 - ~9016=20, 3.9/1111=19...(14) HA SER 94 - HG13 ILE 37 OK 26 81 - 32 - ~11917=13, 9003/2.9=5...(8) HA SER 51 - HG13 ILE 37 OK 24 65 - 36 - 3.0/1111=11, ~1103=8...(7) HA ALA 29 - HG13 ILE 37 OK 14 98 - 14 - 10780/2.1=5, 3.6/11570=1...(4) HA GLU 30 - HG13 ILE 37 lone 8 100 - 8 - 3.0/11570=2, 11573/3923=1 HA SER 99 - HG13 ILE 37 lone 3 73 - 5 - 7462/7475=1 HA HIS 67 - HG13 ILE 37 lone 3 73 - 4 - ~9468=1 Peak 9007 from cnoeabs.peaks (4.23, 0.78, 12.54 ppm; 3.36 A): 6 out of 8 assignments used, quality = 0.83: HA ALA 34 + QD1 ILE 32 OK 41 99 - 41 - 10873=15, ~10811=6...(10) HA ALA 29 + QD1 ILE 32 OK 40 99 - 40 - 10780=11, 10783/3.2=9...(7) HA GLU 30 + QD1 ILE 32 OK 26 100 - 26 - 3.6/934=6, 10819/4.8=5...(8) HB3 SER 38 + QD1 ILE 32 OK 19 96 - 19 - ~9043=6, 9042/2.1=6...(4) HA SER 94 + QD1 ILE 32 OK 11 87 - 13 - 10818/3.2=2, 10817/3.0=2...(6) HA SER 51 + QD1 ILE 32 OK 10 57 - 18 - ~9220=8, ~11918=5...(4) HA SER 99 - QD1 ILE 32 lone 2 65 - 3 - HA HIS 67 - QD1 ILE 32 lone 1 65 - 2 - Peak 9008 from cnoeabs.peaks (2.97, 0.78, 12.54 ppm; 4.31 A): 5 out of 11 assignments used, quality = 0.94: HE3 LYS 31 + QD1 ILE 32 OK 52 100 - 52 - 10757/3.0=10...(14) HE2 LYS 31 + QD1 ILE 32 OK 50 99 - 50 - 10757/3.0=7, 10903=7...(14) HE3 LYS 26 + QD1 ILE 32 OK 41 100 - 41 - 10757/3.0=7, 3.6/932=5...(12) HE2 LYS 26 + QD1 ILE 32 OK 41 100 - 41 - 10757/3.0=7, 3.6/932=5...(12) HE3 LYS 19 + QD1 ILE 32 OK 30 99 - 30 - 1.8/10903=5, 3.8/932=4...(7) HE3 LYS 36 - QD1 ILE 32 OK 24 92 - 26 - 10903=4, ~10837=4...(7) HE2 LYS 19 - QD1 ILE 32 OK 22 73 - 31 - 3.8/932=4, 10903=4...(9) HE2 LYS 36 - QD1 ILE 32 OK 16 65 - 25 - 1.8/10903=5, ~10837=4...(7) HE3 LYS 24 - QD1 ILE 32 OK 15 92 - 16 - 10903=3, 4.0/932=3...(5) HE3 LYS 86 - QD1 ILE 32 lone 1 81 - 1 - HB3 ASN 121 - QD1 ILE 32 lone 1 73 - 1 - Peak 9009 from cnoeabs.peaks (2.31, 0.78, 12.54 ppm; 4.21 A): 0 out of 1 assignment used, low quality = 0.11: HG2 GLU 40 - QD1 ILE 32 OK 11 98 - 11 - 9619/10846=6, ~10930=4 Peak 9010 from cnoeabs.peaks (3.00, 0.94, 17.33 ppm; 5.43 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9011 from cnoeabs.peaks (3.11, 0.94, 17.33 ppm; 5.76 A): 0 out of 2 assignments used, low quality = 0.11: HB2 HIS 7 - QG2 ILE 37 OK 11 100 - 11 - 9547/9021=9 HB2 HIS 4 - QG2 ILE 37 lone 2 92 - 2 - Peak 9013 from cnoeabs.peaks (4.52, 4.02, 61.28 ppm; 6.22 A): 0 out of 1 assignment used, low quality = 0.43: HA ASP 35 - HA ILE 37 OK 43 98 - 44 - 9014/3.0=31...(3) Peak 9014 from cnoeabs.peaks (4.53, 1.97, 38.06 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.63: HA ASP 35 + HB ILE 37 OK 63 87 - 72 - 9013/3.0=40...(4) Peak 9015 from cnoeabs.peaks (4.53, 0.94, 17.33 ppm; 4.31 A): 1 out of 1 assignment used, quality = 0.76: HA SER 38 + QG2 ILE 37 OK 76 81 - 94 - 3.0/6423=28, 9012/4.0=24...(27) Peak 9016 from cnoeabs.peaks (4.53, 1.28, 27.60 ppm; 5.17 A): 1 out of 1 assignment used, quality = 0.96: HA SER 38 + HG12 ILE 37 OK 96 98 - 98 - 9015/3.2=36, 3.0/6424=29...(25) Peak 9017 from cnoeabs.peaks (4.55, 1.56, 27.60 ppm; 6.05 A): 2 out of 2 assignments used, quality = 0.84: HA SER 38 + HG13 ILE 37 OK 64 65 - 98 - 3.0/1111=28, ~6424=28...(20) HA TYR 72 + HG13 ILE 37 OK 56 99 - 57 - 11815/3.2=40, ~9022=16, ~9023=12 Peak 9019 from cnoeabs.peaks (6.50, 0.94, 17.33 ppm; 3.86 A): 0 out of 1 assignment used, low quality = 0.29: QD TYR 76 - QG2 ILE 37 OK 29 99 - 29 - 3.1/10919=12, 9020/2.1=8...(4) Peak 9020 from cnoeabs.peaks (6.49, 1.97, 38.06 ppm; 5.67 A): 0 out of 1 assignment used, low quality = 0.24: QD TYR 76 - HB ILE 37 OK 24 57 - 41 - 9019/2.1=26, ~10919=16 Peak 9021 from cnoeabs.peaks (6.80, 0.94, 17.33 ppm; 4.97 A): 1 out of 2 assignments used, quality = 0.50: QE TYR 72 + QG2 ILE 37 OK 50 87 - 58 - 2.2/9022=25...(8) HE21 GLN 101 - QG2 ILE 37 lone 2 73 - 2 - 11575/3950=1 Peak 9022 from cnoeabs.peaks (7.14, 0.94, 17.33 ppm; 4.05 A): 2 out of 2 assignments used, quality = 0.48: QD TYR 72 + QG2 ILE 37 OK 31 57 - 53 - 2.2/9021=24...(5) HE22 GLN 134 + QG2 ILE 37 OK 25 87 - 29 - 9024/3.0=22...(4) Peak 9023 from cnoeabs.peaks (8.33, 0.94, 17.33 ppm; 5.22 A): 4 out of 4 assignments used, quality = 0.82: H TYR 72 + QG2 ILE 37 OK 59 92 - 64 - 2.9/11815=35...(5) H ALA 28 + QG2 ILE 37 OK 33 100 - 33 - 4.6/1090=10, 6297/2.1=9...(6) H GLU 44 + QG2 ILE 37 OK 22 87 - 25 - 4.6/1092=9, 6521/3.2=6...(6) H GLY 17 + QG2 ILE 37 OK 18 81 - 22 - 4.4/1088=8, 3.7/10911=5...(5) Peak 9024 from cnoeabs.peaks (7.14, 0.78, 12.10 ppm; 4.88 A): 0 out of 1 assignment used, low quality = 0.26: HE22 GLN 134 - QD1 ILE 37 OK 26 98 - 26 - 9022/3.0=17, 9062/9070=3...(5) Peak 9025 from cnoeabs.peaks (6.81, 0.78, 12.10 ppm; 4.41 A): 0 out of 2 assignments used, low quality = 0.19: QE TYR 72 - QD1 ILE 37 OK 19 87 - 22 - ~9022=11, 9551/9070=4...(4) HE21 GLN 127 - QD1 ILE 37 lone 5 81 - 6 - ~10433=4 Peak 9026 from cnoeabs.peaks (7.82, 0.78, 12.10 ppm; 5.13 A): 0 out of 1 assignment used, low quality = 0.13: H ALA 92 - QD1 ILE 37 OK 13 100 - 13 - ~9948=7, 7249/9899=2 Peak 9027 from cnoeabs.peaks (7.49, 0.94, 17.33 ppm; 5.29 A): 2 out of 2 assignments used, quality = 0.58: H LEU 42 + QG2 ILE 37 OK 44 96 - 46 - 4.6/10909=25...(6) H GLN 134 + QG2 ILE 37 OK 25 96 - 27 - 6.9/9022=9, 7938/11745=6...(6) Peak 9030 from cnoeabs.peaks (6.49, 4.01, 64.43 ppm; 4.87 A): 0 out of 1 assignment used, low quality = 0.13: QD TYR 76 - HB2 SER 38 OK 13 57 - 22 - 9034/1.8=19, 9020/1081=2 Peak 9032 from cnoeabs.peaks (6.49, 4.54, 58.15 ppm; 4.91 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9033 from cnoeabs.peaks (7.90, 4.22, 64.43 ppm; 4.74 A): 2 out of 4 assignments used, quality = 0.57: H ALA 41 + HB3 SER 38 OK 50 92 - 55 - 3.0/9042=20, 6466/4.6=13...(6) H GLN 104 + HB3 SER 38 OK 14 100 - 14 - 7486/1.8=3, 4.6/7462=3...(5) H SER 106 - HB3 SER 38 lone 3 99 - 3 - H THR 115 - HB3 SER 38 lone 1 73 - 2 - Peak 9034 from cnoeabs.peaks (6.50, 4.22, 64.43 ppm; 5.20 A): 0 out of 1 assignment used, low quality = 0.31: QD TYR 76 - HB3 SER 38 OK 31 99 - 31 - 9030/1.8=23, 9019/9050=10 Peak 9036 from cnoeabs.peaks (6.47, 3.40, 59.82 ppm; 4.88 A): 0 out of 1 assignment used, low quality = 0.27: QE TYR 76 - HA LYS 39 OK 27 92 - 30 - 9625=16, 9632/10578=8 Peak 9037 from cnoeabs.peaks (6.46, 2.08, 32.42 ppm; 5.72 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9042 from cnoeabs.peaks (1.17, 4.22, 64.43 ppm; 4.55 A): 2 out of 3 assignments used, quality = 0.50: QB ALA 41 + HB3 SER 38 OK 37 100 - 37 - 3.0/9033=22, ~10935=7...(5) HG12 ILE 32 + HB3 SER 38 OK 20 81 - 25 - 9043/1.8=7, 2.1/9007=5...(7) QG2 THR 18 - HB3 SER 38 lone 6 99 - 6 - 232/3.9=2, 6475/9033=1 Peak 9043 from cnoeabs.peaks (1.16, 4.01, 64.43 ppm; 4.49 A): 2 out of 2 assignments used, quality = 0.46: HG3 LYS 39 + HB2 SER 38 OK 29 96 - 31 - 4.7/1129=20, ~10923=9 HG12 ILE 32 + HB2 SER 38 OK 23 99 - 23 - 6440/4.6=7, 10815/1.8=6...(5) Peak 9046 from cnoeabs.peaks (2.04, 4.22, 64.43 ppm; 5.29 A): 2 out of 5 assignments used, quality = 0.52: HB3 GLU 40 + HB3 SER 38 OK 35 96 - 37 - 4.6/9033=22, 4.0/10921=17 HG3 ARG 135 + HB3 SER 38 OK 25 81 - 32 - ~4329=6, ~4313=5...(10) HB3 GLU 91 - HB3 SER 38 lone 7 81 - 9 - 3.0/9915=4, 3.0/9916=3 HB3 GLU 55 - HB3 SER 38 lone 4 99 - 4 - 6471/9033=1 QE MET 11 - HB3 SER 38 lone 2 100 - 2 - Peak 9050 from cnoeabs.peaks (0.93, 4.22, 64.43 ppm; 5.45 A): 2 out of 5 assignments used, quality = 0.90: QG2 ILE 37 + HB3 SER 38 OK 89 96 - 93 - 9015/3.0=40, 6423/3.9=30...(19) QD1 LEU 123 + HB3 SER 38 OK 14 96 - 15 - 6423/3.9=5, 3.2/11573=2...(5) QD1 LEU 119 - HB3 SER 38 lone 5 57 - 9 - 6423/3.9=5 QD1 LEU 48 - HB3 SER 38 lone 2 73 - 3 - QG2 VAL 112 - HB3 SER 38 lone 2 73 - 3 - Peak 9053 from cnoeabs.peaks (0.83, 3.40, 59.82 ppm; 5.27 A): 1 out of 3 assignments used, quality = 0.53: QG1 VAL 133 + HA LYS 39 OK 53 81 - 65 - 10578=26, ~11671=26...(10) HG13 ILE 80 - HA LYS 39 lone 6 87 - 7 - 9745/9625=5 QG2 ILE 129 - HA LYS 39 lone 2 73 - 3 - Peak 9054 from cnoeabs.peaks (1.18, 1.90, 28.28 ppm; 4.92 A): 0 out of 3 assignments used, low quality = 0.30: QG2 THR 18 - HB2 GLU 40 OK 17 65 - 26 - 10682/3.0=20, 6475/4.6=3...(4) QG2 VAL 77 - HB2 GLU 40 OK 16 100 - 16 - 9059/3.0=13, 9660/4346=2 QG2 THR 25 - HB2 GLU 40 lone 2 81 - 3 - 9059/3.0=2 Peak 9055 from cnoeabs.peaks (0.71, 3.84, 59.43 ppm; 4.10 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9056 from cnoeabs.peaks (1.17, 3.84, 59.43 ppm; 4.86 A): 3 out of 3 assignments used, quality = 0.89: QB ALA 41 + HA GLU 40 OK 77 98 - 79 - 10931/3.0=18, ~6463=16...(12) QG2 THR 18 + HA GLU 40 OK 44 96 - 46 - 10682/3.9=34...(4) HG12 ILE 32 + HA GLU 40 OK 16 92 - 17 - 6453/2.8=6, 10930/3.9=5...(5) Peak 9059 from cnoeabs.peaks (1.18, 2.31, 35.29 ppm; 5.56 A): 0 out of 3 assignments used, low quality = 0.44: QG2 VAL 77 - HG2 GLU 40 OK 25 100 - 25 - 9054/3.0=18, 9649/9722=7 QG2 THR 18 - HG2 GLU 40 OK 25 65 - 38 - 9054/3.0=19, 10682=17...(5) QG2 THR 25 - HG2 GLU 40 lone 4 81 - 4 - 9054/3.0=3 Peak 9061 from cnoeabs.peaks (8.30, 1.17, 17.90 ppm; 4.27 A): 0 out of 5 assignments used, low quality = 0.00: H LEU 69 - QB ALA 41 lone 3 87 - 4 - 11056/9070=1 H LEU 49 - QB ALA 41 lone 3 99 - 3 - H ALA 21 - QB ALA 41 lone 3 98 - 3 - 4.7/10716=2 H ALA 110 - QB ALA 41 lone 2 96 - 2 - H GLY 111 - QB ALA 41 lone 1 99 - 1 - Peak 9062 from cnoeabs.peaks (7.13, 1.17, 17.90 ppm; 4.64 A): 0 out of 1 assignment used, low quality = 0.31: HE22 GLN 134 - QB ALA 41 OK 31 92 - 34 - 7964/3.7=11...(5) Peak 9063 from cnoeabs.peaks (6.81, 1.17, 17.90 ppm; 4.21 A): 1 out of 1 assignment used, quality = 0.55: QE TYR 72 + QB ALA 41 OK 55 100 - 55 - 9551=47, 9367/10933=4...(5) Peak 9064 from cnoeabs.peaks (2.51, 3.91, 54.68 ppm; 5.58 A): 2 out of 2 assignments used, quality = 0.82: HG3 GLU 44 + HA ALA 41 OK 80 100 - 80 - 3.0/1409=28, 4.8/1279=28...(8) HB2 ASP 78 + HA ALA 41 OK 11 99 - 11 - ~11158=3, 6529/1279=2...(4) Peak 9065 from cnoeabs.peaks (2.33, 3.91, 54.68 ppm; 5.27 A): 2 out of 5 assignments used, quality = 0.74: HB3 GLN 134 + HA ALA 41 OK 52 99 - 53 - 4277/3.6=14, ~10932=13...(8) HG2 GLU 44 + HA ALA 41 OK 45 57 - 79 - 1.8/9064=33, 3.0/1409=27...(7) HG3 GLU 30 - HA ALA 41 poor 10 96 - 10 - 3.0/1280=2, ~10932=2, 784/1401=1 HB VAL 77 - HA ALA 41 lone 5 81 - 6 - 6528/1279=1 HG3 GLN 68 - HA ALA 41 lone 4 96 - 4 - Peak 9069 from cnoeabs.peaks (0.93, 1.17, 17.90 ppm; 4.02 A): 0 out of 4 assignments used, low quality = 0.38: QG2 ILE 37 - QB ALA 41 OK 38 81 - 47 - 3.0/9070=13...(10) QD1 LEU 123 - QB ALA 41 lone 9 100 - 9 - 10767/10764=3, 3.2/10931=1 QD1 LEU 48 - QB ALA 41 lone 4 92 - 4 - 6602/9061=2 QG2 VAL 112 - QB ALA 41 lone 1 92 - 1 - Peak 9070 from cnoeabs.peaks (0.78, 1.17, 17.90 ppm; 4.48 A): 3 out of 5 assignments used, quality = 0.65: QD1 ILE 37 + QB ALA 41 OK 50 98 - 51 - 3.0/9069=25...(7) QD1 ILE 32 + QB ALA 41 OK 17 100 - 16 - ~1277=2, ~6475=1...(8) QD1 LEU 103 + QB ALA 41 OK 16 87 - 18 - 3403/3.0=3, ~11416=3...(8) QD1 LEU 96 - QB ALA 41 lone 9 96 - 10 - 10630/9062=5, 11678/10567=2 QG1 VAL 63 - QB ALA 41 lone 6 81 - 8 - 2.1/10932=2 Peak 9072 from cnoeabs.peaks (1.00, 3.48, 59.85 ppm; 4.96 A): 0 out of 3 assignments used, low quality = 0.40: QG2 VAL 105 - HA LEU 42 OK 21 96 - 22 - 9160/1439=9, 9162/6534=6...(4) QG2 VAL 118 - HA LEU 42 OK 13 57 - 23 - ~10262=6, ~10259=6...(5) QD1 LEU 69 - HA LEU 42 OK 12 65 - 18 - 11071/1439=4...(6) Peak 9073 from cnoeabs.peaks (1.17, 3.48, 59.85 ppm; 5.01 A): 2 out of 3 assignments used, quality = 0.63: QB ALA 41 + HA LEU 42 OK 56 99 - 56 - 6484/2.8=37...(5) QG2 THR 18 + HA LEU 42 OK 15 98 - 15 - 10942/3.6=6, 6484/2.8=5 HG12 ILE 32 - HA LEU 42 lone 6 87 - 7 - 6484/2.8=2, 1277/4.9=2 Peak 9078 from cnoeabs.peaks (1.01, 1.49, 28.46 ppm; 4.58 A): 2 out of 3 assignments used, quality = 0.56: QG2 VAL 118 + HG LEU 42 OK 41 99 - 42 - 9084/2.1=26, 10264/3.0=9...(5) QD1 LEU 69 + HG LEU 42 OK 26 98 - 26 - 9084/2.1=18, 11074/3.7=8 QG2 VAL 105 - HG LEU 42 lone 5 73 - 7 - 10084/3.0=3, 9072/3.7=2 Peak 9079 from cnoeabs.peaks (0.28, 0.63, 27.44 ppm; 5.28 A): 1 out of 1 assignment used, quality = 0.64: QG2 VAL 93 + QD1 LEU 42 OK 64 92 - 69 - 9080/2.1=33, 9967=15...(13) Peak 9080 from cnoeabs.peaks (0.28, 0.56, 24.08 ppm; 5.54 A): 0 out of 1 assignment used, low quality = 0.31: QG2 VAL 93 - QD2 LEU 42 OK 31 65 - 47 - 9079/2.1=38, 9995/9106=7...(4) Peak 9081 from cnoeabs.peaks (0.83, 0.56, 24.08 ppm; 2.94 A): 2 out of 3 assignments used, quality = 0.67: QG1 VAL 133 + QD2 LEU 42 OK 53 87 - 61 - 2.1/10587=27, 10585=20...(8) QG2 ILE 129 + QD2 LEU 42 OK 29 65 - 45 - 10486=15, 9083/2.1=12...(11) HG13 ILE 80 - QD2 LEU 42 lone 2 81 - 3 - 9083/2.1=1, 2467/10486=1 Peak 9082 from cnoeabs.peaks (1.02, 0.56, 24.08 ppm; 3.07 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9083 from cnoeabs.peaks (0.82, 0.63, 27.44 ppm; 3.55 A): 1 out of 3 assignments used, quality = 0.66: QG2 ILE 129 + QD1 LEU 42 OK 66 99 - 67 - 10486/2.1=36, 4142=11...(13) QD1 LEU 70 - QD1 LEU 42 lone 7 92 - 7 - 11110/11354=2...(3) HG13 ILE 80 - QD1 LEU 42 lone 6 100 - 6 - Peak 9084 from cnoeabs.peaks (1.01, 0.63, 27.44 ppm; 3.64 A): 0 out of 2 assignments used, low quality = 0.39: QG2 VAL 118 - QD1 LEU 42 OK 25 92 - 28 - 9078/2.1=13, 10264/3.2=5...(6) QD1 LEU 69 - QD1 LEU 42 OK 18 87 - 21 - 9078/2.1=8, 11074/4.1=4...(7) Peak 9085 from cnoeabs.peaks (1.65, 0.56, 24.08 ppm; 4.07 A): 0 out of 9 assignments used, low quality = 0.40: HG LEU 43 - QD2 LEU 42 OK 32 98 - 33 - 4.6/6504=20, 3.7/9099=14 HG LEU 62 - QD2 LEU 42 OK 12 99 - 12 - 3.0/10939=4, ~10996=2 HB2 LEU 98 - QD2 LEU 42 lone 5 87 - 5 - 4.6/1338=3, 3166/6504=1 HD2 LYS 95 - QD2 LEU 42 lone 3 73 - 5 - 2.9/1333=1 HD3 LYS 19 - QD2 LEU 42 lone 3 98 - 3 - HD2 LYS 19 - QD2 LEU 42 lone 3 98 - 3 - HB2 LEU 123 - QD2 LEU 42 lone 3 96 - 3 - 6508/6504=1 HG2 ARG 84 - QD2 LEU 42 lone 1 65 - 1 - HG3 ARG 84 - QD2 LEU 42 lone 1 65 - 1 - Peak 9086 from cnoeabs.peaks (2.04, 0.56, 24.08 ppm; 5.54 A): 0 out of 6 assignments used, low quality = 0.23: HB3 GLU 55 - QD2 LEU 42 OK 14 100 - 14 - 10574/10585=7, 10575/10587=6 HB3 GLU 40 - QD2 LEU 42 OK 10 92 - 11 - 4.0/1338=5...(3) HG3 ARG 135 - QD2 LEU 42 poor 10 73 - 13 - 3.0/9097=4, ~9089=3...(4) QE MET 11 - QD2 LEU 42 lone 5 100 - 5 - 10575/10587=2, 10574/10585=1 HG3 PRO 117 - QD2 LEU 42 lone 4 57 - 8 - 10575/10587=3, 10574/10585=2 HB3 GLU 91 - QD2 LEU 42 lone 2 73 - 3 - ~11307=1 Peak 9087 from cnoeabs.peaks (2.19, 0.56, 24.08 ppm; 4.97 A): 2 out of 2 assignments used, quality = 0.94: HB VAL 133 + QD2 LEU 42 OK 90 100 - 90 - 2.1/10587=50...(8) HB2 GLN 104 + QD2 LEU 42 OK 33 99 - 33 - 4.5/11801=18...(6) Peak 9089 from cnoeabs.peaks (2.93, 1.49, 28.46 ppm; 6.20 A): 3 out of 5 assignments used, quality = 0.48: HG CYS 73 + HG LEU 42 OK 33 87 - 38 - ~9580=18, ~9094=16, 9097/2.1=6 HE3 LYS 39 + HG LEU 42 OK 13 98 - 13 - ~9097=5, 10579/10568=4 HE2 LYS 39 + HG LEU 42 OK 10 100 - 10 - 9097/2.1=3...(4) HD2 ARG 135 - HG LEU 42 poor 9 73 - 12 - ~9086=7, 9097/2.1=3 HB3 ASN 116 - HG LEU 42 lone 3 98 - 3 - Peak 9091 from cnoeabs.peaks (3.35, 0.63, 27.44 ppm; 4.88 A): 2 out of 2 assignments used, quality = 0.57: HB3 TYR 72 + QD1 LEU 42 OK 48 73 - 65 - 1.8/9519=30, 4.4/9104=22...(6) HB2 HIS 67 + QD1 LEU 42 OK 17 87 - 20 - 9466=10, 9095/2.1=4...(6) Peak 9092 from cnoeabs.peaks (3.13, 0.63, 27.44 ppm; 4.64 A): 2 out of 3 assignments used, quality = 0.86: HB3 TYR 76 + QD1 LEU 42 OK 69 98 - 70 - 9635=35, 3.0/9615=25...(8) HB3 CYS 45 + QD1 LEU 42 OK 57 96 - 59 - 1.8/9093=32, 1445/4.1=17...(7) HB2 HIS 8 - QD1 LEU 42 lone 3 81 - 3 - Peak 9093 from cnoeabs.peaks (2.95, 0.63, 27.44 ppm; 4.60 A): 0 out of 5 assignments used, low quality = 0.28: HB2 CYS 45 - QD1 LEU 42 OK 28 73 - 38 - 1.8/9092=17, 1439/4.1=12...(8) HE2 LYS 24 - QD1 LEU 42 lone 3 92 - 3 - 4.0/1325=1 HE2 LYS 36 - QD1 LEU 42 lone 2 81 - 3 - 4.0/1325=1 HE2 LYS 19 - QD1 LEU 42 lone 2 73 - 2 - ~9085=1 HE3 LYS 86 - QD1 LEU 42 lone 1 65 - 1 - Peak 9094 from cnoeabs.peaks (2.74, 0.63, 27.44 ppm; 4.39 A): 2 out of 5 assignments used, quality = 0.54: HB2 CYS 73 + QD1 LEU 42 OK 36 87 - 41 - 3.8/9104=19, 1.8/9580=12...(6) HB2 CYS 125 + QD1 LEU 42 OK 28 87 - 32 - 10383=12, 3.0/9102=12...(6) HB3 ASP 78 - QD1 LEU 42 lone 7 96 - 7 - 2420/9609=2, 9959/9079=2 HB2 ASP 64 - QD1 LEU 42 lone 2 65 - 3 - 9413/11017=1 HB3 ASP 35 - QD1 LEU 42 lone 2 73 - 3 - Peak 9095 from cnoeabs.peaks (3.34, 0.56, 24.08 ppm; 5.75 A): 2 out of 3 assignments used, quality = 0.74: HB3 TYR 72 + QD2 LEU 42 OK 66 100 - 66 - 9515/2.1=42, ~9519=30 HB2 HIS 67 + QD2 LEU 42 OK 24 99 - 24 - 9466/2.1=21 HB3 PHE 89 - QD2 LEU 42 lone 3 81 - 4 - Peak 9097 from cnoeabs.peaks (2.94, 0.56, 24.08 ppm; 4.57 A): 4 out of 5 assignments used, quality = 0.73: HB2 CYS 45 + QD2 LEU 42 OK 54 96 - 56 - 4.5/9177=27, 1439/3.9=20...(5) HG CYS 73 + QD2 LEU 42 OK 24 99 - 25 - ~9580=9, ~9094=9...(4) HE2 LYS 39 + QD2 LEU 42 OK 13 81 - 16 - 4.0/10939=10, ~9089=3 HD2 ARG 135 + QD2 LEU 42 OK 11 100 - 11 - 3.0/9086=5, 1295/3.9=2 HB3 ASN 116 - QD2 LEU 42 lone 2 92 - 2 - Peak 9099 from cnoeabs.peaks (3.78, 0.56, 24.08 ppm; 3.85 A): 3 out of 3 assignments used, quality = 0.83: HA LEU 43 + QD2 LEU 42 OK 64 98 - 66 - 2.8/6504=27, 3.7/9085=12...(11) HA SER 130 + QD2 LEU 42 OK 38 96 - 39 - 11744/10587=9...(11) HB3 SER 130 + QD2 LEU 42 OK 21 96 - 22 - 3.9/9105=6, 11640/6504=5...(6) Peak 9100 from cnoeabs.peaks (4.34, 0.56, 24.08 ppm; 6.49 A): 0 out of 4 assignments used, low quality = 0.11: HA PRO 81 - QD2 LEU 42 OK 11 87 - 13 - 11909/10486=8, 11667/10587=1 HA ASP 47 - QD2 LEU 42 lone 6 100 - 6 - 9530/9095=3 HA LYS 24 - QD2 LEU 42 lone 6 73 - 8 - 11668/10585=2, 4.1/1333=2 HA ASN 59 - QD2 LEU 42 lone 6 65 - 9 - 6749/11801=2...(5) Peak 9102 from cnoeabs.peaks (4.36, 0.63, 27.44 ppm; 4.18 A): 2 out of 3 assignments used, quality = 0.62: HA GLN 134 + QD1 LEU 42 OK 48 87 - 55 - 5.4/9111=14, 3.6/9110=13...(11) HA CYS 125 + QD1 LEU 42 OK 27 96 - 28 - 3.0/10383=12, 3.6/1330=5...(7) HA PRO 117 - QD1 LEU 42 lone 1 73 - 1 - Peak 9103 from cnoeabs.peaks (8.03, 0.63, 27.44 ppm; 5.04 A): 5 out of 6 assignments used, quality = 0.90: H SER 130 + QD1 LEU 42 OK 62 99 - 62 - 4.2/9083=31, 7887=11...(10) H ALA 52 + QD1 LEU 42 OK 38 92 - 41 - 2.9/1327=10, 9105/2.1=9...(9) H TYR 76 + QD1 LEU 42 OK 36 57 - 64 - 3.0/9615=30, 3.8/9635=25...(8) H CYS 125 + QD1 LEU 42 OK 22 57 - 38 - 3.9/10383=16...(4) H ALA 16 + QD1 LEU 42 OK 12 98 - 12 - 9105/2.1=3...(5) H CYS 79 - QD1 LEU 42 poor 10 57 - 17 - 9699/9079=4, 4.3/9094=3...(4) Peak 9104 from cnoeabs.peaks (8.86, 0.63, 27.44 ppm; 5.64 A): 1 out of 1 assignment used, quality = 0.59: H CYS 73 + QD1 LEU 42 OK 59 73 - 81 - 4.4/9519=26, 3.5/9524=25...(10) Peak 9105 from cnoeabs.peaks (8.03, 0.56, 24.08 ppm; 5.23 A): 3 out of 3 assignments used, quality = 0.63: H ALA 52 + QD2 LEU 42 OK 38 98 - 39 - 2.9/1335=10, ~1327=7...(9) H SER 130 + QD2 LEU 42 OK 31 57 - 55 - 4.2/10486=37...(6) H ALA 16 + QD2 LEU 42 OK 12 92 - 13 - 4.6/11802=2, 3.7/1333=2...(4) Peak 9106 from cnoeabs.peaks (8.50, 0.56, 24.08 ppm; 5.30 A): 0 out of 1 assignment used, low quality = 0.40: H GLU 97 - QD2 LEU 42 OK 40 96 - 42 - 9994/2.1=17, 4.4/1333=6...(9) Peak 9107 from cnoeabs.peaks (7.33, 0.56, 24.08 ppm; 5.07 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9108 from cnoeabs.peaks (7.13, 0.56, 24.08 ppm; 5.41 A): 1 out of 1 assignment used, quality = 0.64: HE22 GLN 134 + QD2 LEU 42 OK 64 100 - 64 - 9111/2.1=40, 7964/4.8=14...(6) Peak 9109 from cnoeabs.peaks (6.49, 0.56, 24.08 ppm; 4.83 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9110 from cnoeabs.peaks (7.31, 0.63, 27.44 ppm; 4.24 A): 2 out of 3 assignments used, quality = 0.59: H ARG 135 + QD1 LEU 42 OK 39 100 - 39 - 3.6/9102=18, 4.7/1323=9...(6) HZ PHE 89 + QD1 LEU 42 OK 33 87 - 38 - 2.2/11800=34...(3) QD PHE 87 - QD1 LEU 42 lone 7 87 - 8 - 11139/9609=2, 11143/9635=2 Peak 9111 from cnoeabs.peaks (7.13, 0.63, 27.44 ppm; 5.32 A): 1 out of 1 assignment used, quality = 0.70: HE22 GLN 134 + QD1 LEU 42 OK 70 100 - 70 - 9108/2.1=38, 5.4/9102=18...(10) Peak 9112 from cnoeabs.peaks (6.48, 0.63, 27.44 ppm; 4.09 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9113 from cnoeabs.peaks (7.14, 3.48, 59.85 ppm; 4.88 A): 2 out of 2 assignments used, quality = 0.48: HE22 GLN 134 + HA LEU 42 OK 39 81 - 48 - 9108/3.9=13, 9111/4.1=13...(8) QD TYR 72 + HA LEU 42 OK 15 65 - 23 - 2.2/11803=18, 9143/1439=4 Peak 9116 from cnoeabs.peaks (7.47, 0.75, 22.33 ppm; 4.52 A): 0 out of 1 assignment used, low quality = 0.00: HE22 GLN 127 - QD2 LEU 43 lone 8 87 - 9 - 4.5/9127=4, 10420/11642=3 Peak 9117 from cnoeabs.peaks (7.12, 0.75, 22.33 ppm; 4.17 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9118 from cnoeabs.peaks (6.89, 0.75, 22.33 ppm; 4.42 A): 0 out of 3 assignments used, low quality = 0.41: HE21 GLN 134 - QD2 LEU 43 OK 41 100 - 41 - 3.5/9124=32...(3) HD21 ASN 121 - QD2 LEU 43 lone 2 57 - 3 - HE21 GLN 61 - QD2 LEU 43 lone 1 81 - 2 - Peak 9120 from cnoeabs.peaks (2.94, 0.70, 25.73 ppm; 4.31 A): 0 out of 5 assignments used, low quality = 0.19: HE2 LYS 39 - QD1 LEU 43 OK 19 81 - 23 - 9123/2.1=11, ~9123=7...(4) HB3 ASN 116 - QD1 LEU 43 lone 5 92 - 5 - 9123/2.1=3, 10228/10971=2 HD2 ARG 135 - QD1 LEU 43 lone 3 100 - 3 - 9123/2.1=2 HG CYS 73 - QD1 LEU 43 lone 3 99 - 3 - 9123/2.1=2 HB2 CYS 45 - QD1 LEU 43 lone 2 96 - 2 - 9123/2.1=1 Peak 9121 from cnoeabs.peaks (2.64, 0.70, 25.73 ppm; 4.82 A): 0 out of 1 assignment used, low quality = 0.00: HB2 ASP 71 - QD1 LEU 43 lone 2 73 - 3 - ~9509=2 Peak 9123 from cnoeabs.peaks (2.94, 0.75, 22.33 ppm; 5.06 A): 2 out of 6 assignments used, quality = 0.53: HE2 LYS 39 + QD2 LEU 43 OK 36 98 - 37 - 9120/2.1=24...(4) HE3 LYS 39 + QD2 LEU 43 OK 27 81 - 33 - ~9120=21, 4.0/11089=11...(4) HB3 ASN 116 - QD2 LEU 43 lone 9 100 - 8 - 9120/2.1=7 HG CYS 73 - QD2 LEU 43 lone 6 99 - 6 - 9120/2.1=4 HD2 ARG 135 - QD2 LEU 43 lone 6 96 - 6 - 9120/2.1=4 HB2 CYS 45 - QD2 LEU 43 lone 4 73 - 5 - 9120/2.1=3 Peak 9124 from cnoeabs.peaks (2.64, 0.75, 22.33 ppm; 4.00 A): 0 out of 1 assignment used, low quality = 0.37: HG2 GLN 134 - QD2 LEU 43 OK 37 65 - 57 - 3.5/9118=22, ~11740=13...(7) Peak 9125 from cnoeabs.peaks (2.06, 0.70, 25.73 ppm; 4.22 A): 2 out of 6 assignments used, quality = 0.69: HB2 LEU 62 + QD1 LEU 43 OK 58 73 - 79 - 1.8/11806=24, ~10995=22...(18) HB VAL 118 + QD1 LEU 43 OK 26 73 - 36 - 2.1/11807=32...(3) HB3 GLN 27 - QD1 LEU 43 lone 7 96 - 7 - 4.6/1382=4, 10940/4.5=1 HB2 GLN 127 - QD1 LEU 43 lone 5 73 - 6 - 10940/4.5=2, 9127/2.1=1 HG3 PRO 113 - QD1 LEU 43 lone 2 96 - 2 - HG3 PRO 58 - QD1 LEU 43 lone 1 81 - 1 - Peak 9126 from cnoeabs.peaks (2.33, 0.70, 25.73 ppm; 5.82 A): 3 out of 4 assignments used, quality = 0.88: HB3 GLN 134 + QD1 LEU 43 OK 71 81 - 87 - 1.8/11740=45, ~9124=36...(8) HG2 GLU 44 + QD1 LEU 43 OK 52 100 - 52 - 4.8/6523=34, ~9140=19...(4) HB VAL 77 + QD1 LEU 43 OK 17 99 - 17 - ~9651=5, ~9663=3...(5) HG3 GLU 30 - QD1 LEU 43 lone 7 92 - 7 - 784/11740=3, 6528/6523=2 Peak 9127 from cnoeabs.peaks (2.05, 0.75, 22.33 ppm; 3.93 A): 4 out of 8 assignments used, quality = 0.85: HB2 LEU 62 + QD2 LEU 43 OK 69 96 - 73 - 1.8/11089=24...(20) HB2 GLN 127 + QD2 LEU 43 OK 25 96 - 26 - 4.5/9116=17, 10940/4.4=3...(6) HB VAL 118 + QD2 LEU 43 OK 24 96 - 25 - ~11807=18, 10940/4.4=3 HG3 PRO 81 + QD2 LEU 43 OK 15 100 - 15 - 3.8/11087=5, 2.3/11805=3 HB3 GLN 27 - QD2 LEU 43 lone 6 73 - 8 - 4.6/1390=4, 10940/4.4=1 HG3 PRO 117 - QD2 LEU 43 lone 5 99 - 5 - 10575/11090=2 HG2 PRO 117 - QD2 LEU 43 lone 5 100 - 5 - 10575/11090=1 HG3 PRO 113 - QD2 LEU 43 lone 2 73 - 3 - Peak 9128 from cnoeabs.peaks (2.19, 0.75, 22.33 ppm; 3.85 A): 1 out of 3 assignments used, quality = 0.67: HB VAL 133 + QD2 LEU 43 OK 67 98 - 68 - 2.1/11090=40, 11674=27...(5) HB2 GLN 104 - QD2 LEU 43 lone 5 99 - 5 - 4253/11090=3 HB3 GLN 68 - QD2 LEU 43 lone 0 65 - 1 - Peak 9129 from cnoeabs.peaks (0.54, 0.75, 22.33 ppm; 3.65 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9140 from cnoeabs.peaks (1.72, 2.51, 34.64 ppm; 4.66 A): 0 out of 4 assignments used, low quality = 0.41: HB2 LEU 43 - HG3 GLU 44 OK 27 87 - 31 - 4.6/6529=25, ~9126=6 HD3 LYS 39 - HG3 GLU 44 OK 19 73 - 26 - ~10949=9, ~1196=4...(8) HB3 LEU 70 - HG3 GLU 44 lone 1 81 - 1 - HG LEU 48 - HG3 GLU 44 lone 1 73 - 1 - Peak 9141 from cnoeabs.peaks (1.19, 2.51, 34.64 ppm; 5.28 A): 2 out of 2 assignments used, quality = 0.45: QG2 VAL 77 + HG3 GLU 44 OK 29 65 - 44 - 4.3/7055=9, ~2396=7...(12) QG2 THR 25 + HG3 GLU 44 OK 23 98 - 23 - ~10694=11, ~10695=10 Peak 9143 from cnoeabs.peaks (7.14, 2.94, 26.22 ppm; 6.80 A): 2 out of 3 assignments used, quality = 0.83: QD TYR 72 + HB2 CYS 45 OK 74 87 - 85 - ~9146=45, 2.2/9548=38...(7) HE22 GLN 134 + HB2 CYS 45 OK 34 57 - 59 - 5.4/11738=23...(7) HD2 HIS 67 - HB2 CYS 45 lone 5 57 - 8 - 6983/11831=3, 6996/9555=2 Peak 9144 from cnoeabs.peaks (6.82, 2.94, 26.22 ppm; 5.26 A): 0 out of 1 assignment used, low quality = 0.00: HE21 GLN 127 - HB2 CYS 45 lone 2 100 - 2 - Peak 9145 from cnoeabs.peaks (7.13, 3.13, 26.22 ppm; 5.49 A): 0 out of 1 assignment used, low quality = 0.17: HE22 GLN 134 - HB3 CYS 45 OK 17 100 - 17 - 9111/9092=6...(4) Peak 9146 from cnoeabs.peaks (6.81, 3.13, 26.22 ppm; 4.87 A): 1 out of 1 assignment used, quality = 0.58: QE TYR 72 + HB3 CYS 45 OK 58 99 - 58 - 9548/1.8=32, 9142/3.5=20...(5) Peak 9148 from cnoeabs.peaks (8.31, 4.12, 62.50 ppm; 4.76 A): 0 out of 3 assignments used, low quality = 0.19: H TYR 72 - HA CYS 45 OK 19 87 - 22 - 11831/3.0=15, ~9555=5 H ALA 21 - HA CYS 45 lone 5 73 - 7 - ~9152=4, 9445/9155=1 H GLY 17 - HA CYS 45 lone 3 96 - 3 - 10678/9164=1 Peak 9153 from cnoeabs.peaks (2.18, 4.12, 62.50 ppm; 4.33 A): 0 out of 3 assignments used, low quality = 0.31: HB3 GLN 68 - HA CYS 45 OK 31 96 - 32 - 9149/2.8=28, 9443/9155=5 HB2 GLN 104 - HA CYS 45 lone 1 81 - 2 - 9443/9155=1 HB VAL 133 - HA CYS 45 lone 1 73 - 2 - Peak 9155 from cnoeabs.peaks (1.22, 4.12, 62.50 ppm; 5.45 A): 0 out of 1 assignment used, low quality = 0.23: QG2 THR 65 - HA CYS 45 OK 23 81 - 28 - 9443/9153=10...(5) Peak 9156 from cnoeabs.peaks (2.17, 2.94, 26.22 ppm; 5.09 A): 1 out of 1 assignment used, quality = 0.70: HB3 LEU 69 + HB2 CYS 45 OK 70 100 - 70 - 9158/1.8=44...(3) Peak 9158 from cnoeabs.peaks (2.17, 3.13, 26.22 ppm; 4.65 A): 1 out of 1 assignment used, quality = 0.59: HB3 LEU 69 + HB3 CYS 45 OK 59 98 - 60 - 9156/1.8=34...(3) Peak 9159 from cnoeabs.peaks (0.99, 3.13, 26.22 ppm; 5.65 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9160 from cnoeabs.peaks (0.99, 2.94, 26.22 ppm; 4.85 A): 0 out of 1 assignment used, low quality = 0.16: QG2 VAL 105 - HB2 CYS 45 OK 16 65 - 25 - 9162/3.5=21, 9072/1439=4 Peak 9164 from cnoeabs.peaks (0.92, 4.12, 62.50 ppm; 4.05 A): 2 out of 5 assignments used, quality = 0.50: QD1 LEU 48 + HA CYS 45 OK 41 98 - 42 - 3.1/1494=18, 3.1/1438=14...(4) QD1 LEU 123 + HA CYS 45 OK 14 81 - 18 - ~9163=7, 3.2/1438=3...(6) QD1 LEU 49 - HA CYS 45 poor 8 73 - 11 - 4.7/6592=9 QG2 VAL 112 - HA CYS 45 lone 4 98 - 4 - QD1 LEU 62 - HA CYS 45 lone 1 81 - 1 - Peak 9173 from cnoeabs.peaks (0.96, 3.90, 55.49 ppm; 3.71 A): 3 out of 5 assignments used, quality = 0.80: QG1 VAL 126 + HA ALA 46 OK 56 98 - 58 - 10409/2.1=36, ~11616=18...(4) QG2 VAL 126 + HA ALA 46 OK 44 96 - 46 - 11616/2.1=28, ~10409=21...(4) QD2 LEU 53 + HA ALA 46 OK 18 81 - 22 - 2.1/10951=10, 9175/2.1=7 QG1 VAL 112 - HA ALA 46 lone 1 73 - 2 - QG1 VAL 105 - HA ALA 46 lone 1 100 - 1 - Peak 9174 from cnoeabs.peaks (0.86, 3.90, 55.49 ppm; 3.96 A): 1 out of 4 assignments used, quality = 0.71: QD2 LEU 69 + HA ALA 46 OK 71 92 - 78 - 11060/2.1=26, 11076=22...(10) QD1 LEU 98 - HA ALA 46 lone 5 99 - 5 - ~10950=1 QD2 LEU 70 - HA ALA 46 lone 3 73 - 4 - 4.9/1454=2 QG2 VAL 57 - HA ALA 46 lone 1 99 - 1 - Peak 9175 from cnoeabs.peaks (0.97, 1.34, 16.76 ppm; 2.89 A): 2 out of 4 assignments used, quality = 0.56: QG2 VAL 126 + QB ALA 46 OK 44 96 - 46 - 2.1/10409=25, 11616=17...(6) QD2 LEU 53 + QB ALA 46 OK 22 100 - 22 - 4.3/9192=9, 9255/4.5=5...(5) QG1 VAL 112 - QB ALA 46 lone 2 100 - 2 - QG1 VAL 105 - QB ALA 46 lone 0 73 - 1 - Peak 9176 from cnoeabs.peaks (0.78, 1.34, 16.76 ppm; 3.44 A): 2 out of 6 assignments used, quality = 0.54: QD1 ILE 32 + QB ALA 46 OK 37 98 - 38 - 3.0/10953=19...(6) QD1 ILE 37 + QB ALA 46 OK 28 100 - 28 - 3.2/9184=16, 9166/3.1=5...(5) QD1 LEU 96 - QB ALA 46 poor 8 73 - 11 - 4.6/9190=4, 9166/3.1=1...(6) QD1 LEU 103 - QB ALA 46 lone 5 99 - 5 - 1086/9184=2, 11061/11060=1 QG1 VAL 63 - QB ALA 46 lone 3 98 - 3 - QD2 LEU 122 - QB ALA 46 lone 1 81 - 1 - Peak 9177 from cnoeabs.peaks (0.56, 1.34, 16.76 ppm; 3.71 A): 0 out of 1 assignment used, low quality = 0.19: QD2 LEU 42 - QB ALA 46 OK 19 98 - 20 - 9097/4.5=8, 9167/3.1=6...(5) Peak 9178 from cnoeabs.peaks (-0.24, 1.34, 16.76 ppm; 6.80 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9179 from cnoeabs.peaks (-0.51, 1.34, 16.76 ppm; 6.80 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9182 from cnoeabs.peaks (1.51, 1.34, 16.76 ppm; 3.95 A): 2 out of 2 assignments used, quality = 0.83: HG LEU 69 + QB ALA 46 OK 76 100 - 76 - 2.1/11060=30, ~9174=19...(11) HB2 LEU 53 + QB ALA 46 OK 30 73 - 40 - 4.0/9192=19, 3.1/9175=12...(8) Peak 9183 from cnoeabs.peaks (1.69, 1.34, 16.76 ppm; 4.41 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9184 from cnoeabs.peaks (1.97, 1.34, 16.76 ppm; 4.28 A): 0 out of 2 assignments used, low quality = 0.18: HB ILE 37 - QB ALA 46 OK 18 99 - 18 - 3.2/9176=12, ~9166=4 HB2 GLN 27 - QB ALA 46 lone 3 100 - 3 - 1114/9176=2 Peak 9185 from cnoeabs.peaks (2.13, 1.34, 16.76 ppm; 4.83 A): 0 out of 2 assignments used, low quality = 0.00: HB2 GLU 97 - QB ALA 46 lone 3 98 - 3 - 11109/10953=2 HB2 PRO 56 - QB ALA 46 lone 1 100 - 1 - Peak 9186 from cnoeabs.peaks (2.91, 1.34, 16.76 ppm; 4.79 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9187 from cnoeabs.peaks (3.42, 1.34, 16.76 ppm; 4.92 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9188 from cnoeabs.peaks (4.09, 1.34, 16.76 ppm; 4.73 A): 0 out of 2 assignments used, low quality = 0.00: HA PHE 89 - QB ALA 46 lone 7 100 - 8 - ~7190=3, ~2765=2, ~2774=2 HA GLN 104 - QB ALA 46 lone 1 99 - 1 - Peak 9189 from cnoeabs.peaks (4.11, 3.90, 55.49 ppm; 5.58 A): 3 out of 6 assignments used, quality = 0.90: HA LEU 48 + HA ALA 46 OK 66 98 - 68 - ~6577=21, 2.9/6578=19...(9) HA LEU 49 + HA ALA 46 OK 61 92 - 66 - 3.0/1457=22...(8) HA ILE 32 + HA ALA 46 OK 27 98 - 27 - ~10953=25 HA LEU 98 - HA ALA 46 lone 8 87 - 9 - 4.0/9174=3, 6583/6578=1 HA CYS 79 - HA ALA 46 lone 7 87 - 8 - ~6560=2, ~9191=1, 2421/6578=1 HA GLN 101 - HA ALA 46 lone 6 65 - 9 - ~6553=2, 11401/10951=2 Peak 9190 from cnoeabs.peaks (8.28, 1.34, 16.76 ppm; 4.56 A): 2 out of 3 assignments used, quality = 0.54: H ASP 131 + QB ALA 46 OK 42 92 - 46 - 4.6/11641=19...(6) H LEU 96 + QB ALA 46 OK 20 100 - 20 - 9982/11636=8, 4.6/9176=3...(7) H GLU 40 - QB ALA 46 lone 4 92 - 4 - Peak 9191 from cnoeabs.peaks (8.04, 1.34, 16.76 ppm; 4.28 A): 4 out of 5 assignments used, quality = 0.87: H LEU 48 + QB ALA 46 OK 64 99 - 65 - 3.6/6568=29, 6577/3.1=18...(6) H SER 130 + QB ALA 46 OK 41 73 - 56 - 3.9/11641=19...(9) H TYR 76 + QB ALA 46 OK 29 100 - 29 - 6560/3.1=7, 6572/3.7=5...(9) H CYS 125 + QB ALA 46 OK 17 100 - 17 - 10365/10409=8...(4) H CYS 79 - QB ALA 46 lone 7 100 - 7 - 6560/3.1=2, 6572/3.7=2 Peak 9192 from cnoeabs.peaks (7.72, 1.34, 16.76 ppm; 4.67 A): 0 out of 1 assignment used, low quality = 0.25: H LEU 53 - QB ALA 46 OK 25 98 - 25 - 4.3/9175=12, 4.0/9182=9...(4) Peak 9195 from cnoeabs.peaks (8.48, 4.11, 57.64 ppm; 4.43 A): 0 out of 2 assignments used, low quality = 0.39: H LEU 100 - HA LEU 49 OK 39 98 - 40 - 11700/3.9=19, 7391=9...(7) H SER 9 - HA LEU 49 lone 8 96 - 8 - 11700/3.9=4, 4.7/1543=2 Peak 9196 from cnoeabs.peaks (8.45, 1.89, 41.65 ppm; 6.37 A): 0 out of 3 assignments used, low quality = 0.33: H ASP 47 - HB3 LEU 48 OK 33 65 - 50 - 3.6/6585=34, 6594/4.6=18 H ASN 116 - HB3 LEU 48 lone 3 99 - 3 - H ALA 12 - HB3 LEU 48 lone 3 96 - 3 - Peak 9200 from cnoeabs.peaks (1.23, 4.11, 57.64 ppm; 4.09 A): 1 out of 1 assignment used, quality = 0.73: QG2 THR 65 + HA LEU 49 OK 73 98 - 75 - 9442/3.0=26, 9445/2.9=22...(14) Peak 9201 from cnoeabs.peaks (1.21, 1.89, 41.65 ppm; 5.57 A): 1 out of 1 assignment used, quality = 0.63: HG12 ILE 80 + HB3 LEU 48 OK 63 98 - 64 - 9203/3.0=38, 9204/3.0=28...(7) Peak 9202 from cnoeabs.peaks (1.23, 1.78, 41.65 ppm; 5.45 A): 1 out of 1 assignment used, quality = 0.85: QG2 THR 65 + HB2 LEU 48 OK 85 98 - 87 - 10957/3.1=49...(12) Peak 9203 from cnoeabs.peaks (1.22, 4.11, 57.99 ppm; 4.09 A): 0 out of 1 assignment used, low quality = 0.23: HG12 ILE 80 - HA LEU 48 OK 23 73 - 31 - 9201/3.0=15, 9204/3.7=8...(5) Peak 9204 from cnoeabs.peaks (1.21, 1.71, 26.79 ppm; 4.19 A): 2 out of 2 assignments used, quality = 0.47: HG12 ILE 80 + HG LEU 48 OK 34 100 - 34 - 9201/3.0=18, 9203/3.7=14...(4) HG12 ILE 80 + HG LEU 98 OK 20 64 - 31 - 11368/3.7=24, ~11169=3...(4) Peak 9205 from cnoeabs.peaks (1.58, 0.91, 23.93 ppm; 2.94 A): 2 out of 4 assignments used, quality = 0.47: HG LEU 49 + QD2 LEU 48 OK 34 96 - 36 - 1570=7, 3.7/1542=6...(11) HG LEU 123 + QD2 LEU 48 OK 20 65 - 31 - 2.1/1526=8, 3.0/1523=5...(12) HG2 ARG 23 - QD2 LEU 48 lone 4 100 - 4 - HB2 LEU 103 - QD2 LEU 48 lone 3 100 - 3 - Peak 9206 from cnoeabs.peaks (3.87, 0.80, 26.96 ppm; 4.26 A): 0 out of 1 assignment used, low quality = 0.35: HD2 PRO 117 - QD2 LEU 49 OK 35 73 - 48 - 9209/2.1=43, 3.8/10232=6 Peak 9208 from cnoeabs.peaks (3.63, 0.80, 26.96 ppm; 3.96 A): 2 out of 2 assignments used, quality = 0.75: HA2 GLY 66 + QD2 LEU 49 OK 50 99 - 50 - 2.9/9434=20, 3.6/9460=19...(5) HA3 GLY 66 + QD2 LEU 49 OK 50 98 - 51 - 2.9/9434=20, 3.6/9460=19...(5) Peak 9209 from cnoeabs.peaks (3.87, 0.91, 23.35 ppm; 3.59 A): 0 out of 1 assignment used, low quality = 0.20: HD2 PRO 117 - QD1 LEU 49 OK 20 73 - 27 - 9206/2.1=26, 11027/9430=1 Peak 9210 from cnoeabs.peaks (3.65, 0.91, 23.35 ppm; 4.45 A): 0 out of 2 assignments used, low quality = 0.00: HD3 PRO 56 - QD1 LEU 49 lone 10 100 - 10 - 10966/9211=8 HD2 PRO 56 - QD1 LEU 49 lone 1 73 - 1 - Peak 9211 from cnoeabs.peaks (2.44, 0.91, 23.35 ppm; 4.36 A): 0 out of 1 assignment used, low quality = 0.00: HG2 GLN 82 - QD1 LEU 49 lone 8 100 - 8 - 10966/9210=7 Peak 9217 from cnoeabs.peaks (0.92, 4.00, 62.52 ppm; 2.96 A): 3 out of 14 assignments used, quality = 0.50: QD1 LEU 49 + HA SER 50 OK 35 96 - 37 - 6622/2.9=7, 2.1/9218=7...(10) QD1 LEU 62 + HA SER 50 OK 12 98 - 13 - ~10990=2, 11001=2...(5) QD1 LEU 48 + HB2 SER 124 OK 11 71 - 16 - ~10958=6, 10372/1.8=6...(4) QD2 LEU 48 - HB2 SER 124 poor 9 64 - 14 - ~10958=6, ~10372=5 QG1 VAL 20 - HA SER 50 poor 8 65 - 13 - 2.1/1595=3, 6622/2.9=2...(5) QD2 LEU 48 - HA SER 50 poor 8 73 - 11 - 6622/2.9=6, 1542/4.8=4 QG2 VAL 63 - HA SER 50 lone 6 87 - 7 - 2.1/11019=4, ~11699=2 QD1 LEU 48 - HA SER 50 lone 6 81 - 8 - ~6622=3, 1529/4.8=2, 4.8/3973=1 QG1 VAL 20 - HB2 SER 124 lone 5 57 - 9 - 2.1/355=2, 2.1/1595=2...(4) QG2 VAL 63 - HB2 SER 124 lone 5 78 - 6 - 2.1/11019=3, ~10373=3 QD1 LEU 62 - HB2 SER 124 lone 3 90 - 4 - ~3966=1 QD1 LEU 49 - HB2 SER 124 lone 3 87 - 3 - 2.1/9218=2 QG2 VAL 112 - HB2 SER 124 lone 1 71 - 2 - QG2 VAL 112 - HA SER 50 lone 1 81 - 1 - Peak 9218 from cnoeabs.peaks (0.79, 4.00, 62.52 ppm; 3.89 A): 7 out of 8 assignments used, quality = 0.92: QD2 LEU 49 + HA SER 50 OK 65 99 - 65 - 6621/2.9=16, 2.1/9217=14...(15) QD1 LEU 53 + HA SER 50 OK 44 100 - 44 - 3.1/1595=10, 4.3/6657=10...(7) QD2 LEU 119 + HB2 SER 124 OK 23 78 - 30 - 11585/4.0=8, 10366/4.5=5...(9) QD1 LEU 53 + HB2 SER 124 OK 17 94 - 18 - 11728/4.5=6, 11585/4.0=3...(5) QD2 LEU 49 + HB2 SER 124 OK 15 93 - 16 - 11585/4.0=5...(5) QD2 LEU 119 + HA SER 50 OK 11 87 - 13 - 6621/2.9=3, 1541/4.8=2...(4) QD2 LEU 122 + HB2 SER 124 OK 11 64 - 16 - ~10371=6, 10366/4.5=5...(4) QD2 LEU 122 - HA SER 50 lone 2 73 - 2 - Peak 9219 from cnoeabs.peaks (7.71, 3.94, 62.66 ppm; 4.20 A): 2 out of 2 assignments used, quality = 0.75: H LEU 53 + HB2 SER 51 OK 65 92 - 71 - 3.3/1620=30, 6641/3.8=22...(7) H LYS 95 + HB2 SER 51 OK 29 96 - 30 - 7290/1.8=7, 6641/3.8=5...(10) Peak 9229 from cnoeabs.peaks (0.94, 4.13, 54.53 ppm; 4.46 A): 2 out of 3 assignments used, quality = 0.76: QG1 VAL 57 + HA ALA 52 OK 74 92 - 80 - 2.1/10965=34...(8) QD1 LEU 119 + HA ALA 52 OK 10 99 - 11 - 4.6/9245=4, 10987/9239=2...(5) QG2 ILE 37 - HA ALA 52 lone 1 73 - 2 - Peak 9230 from cnoeabs.peaks (0.66, 4.13, 54.53 ppm; 5.97 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9231 from cnoeabs.peaks (0.90, 1.48, 18.03 ppm; 3.40 A): 4 out of 6 assignments used, quality = 0.61: QD1 LEU 62 + QB ALA 52 OK 28 65 - 43 - 2.1/10996=29, ~9228=10...(4) QD2 LEU 48 + QB ALA 52 OK 26 96 - 28 - 10957/9440=9, 9227/2.9=8...(6) QD1 LEU 49 + QB ALA 52 OK 16 73 - 21 - 4.1/1545=17, 9430/9440=3 QG1 VAL 20 + QB ALA 52 OK 14 98 - 14 - 9227/2.9=6, ~9238=2...(4) QG1 VAL 118 - QB ALA 52 lone 8 92 - 9 - 9227/2.9=4, 2.1/9241=2 QG2 VAL 63 - QB ALA 52 lone 3 87 - 4 - 9430/9440=2, 2003/10996=1 Peak 9232 from cnoeabs.peaks (0.66, 1.48, 18.03 ppm; 3.54 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9238 from cnoeabs.peaks (2.00, 4.13, 54.53 ppm; 4.36 A): 4 out of 9 assignments used, quality = 0.68: HB3 LEU 53 + HA ALA 52 OK 35 81 - 44 - 4.6/6674=16, 6665/3.6=15...(5) HG2 PRO 81 + HA ALA 52 OK 28 99 - 28 - ~9240=6, 6665/3.6=5...(7) HB ILE 129 + HA ALA 52 OK 18 99 - 18 - ~10963=3, 4135/2.9=3...(9) HB VAL 20 + HA ALA 52 OK 17 100 - 17 - ~9227=6, ~9231=4...(5) HB2 GLU 91 - HA ALA 52 lone 4 87 - 4 - ~6650=2, 6665/3.6=1 HB3 PRO 56 - HA ALA 52 lone 1 100 - 1 - HB3 PRO 117 - HA ALA 52 lone 1 73 - 2 - HG2 PRO 56 - HA ALA 52 lone 1 81 - 1 - HG3 PRO 56 - HA ALA 52 lone 1 81 - 1 - Peak 9239 from cnoeabs.peaks (2.41, 4.13, 54.53 ppm; 4.90 A): 0 out of 2 assignments used, low quality = 0.25: HG3 GLN 61 - HA ALA 52 OK 15 92 - 16 - 10986/10965=8, 10987/9229=7 HB3 PRO 58 - HA ALA 52 OK 12 98 - 12 - 10973/9229=6, ~9240=3, ~9234=2 Peak 9240 from cnoeabs.peaks (1.94, 1.48, 18.03 ppm; 4.45 A): 5 out of 6 assignments used, quality = 0.72: HG LEU 53 + QB ALA 52 OK 31 87 - 36 - 5.3/6662=20, 9234/2.9=10...(5) HB3 PRO 81 + QB ALA 52 OK 29 98 - 29 - 2.3/9241=7, ~9238=6...(7) HB3 LYS 95 + QB ALA 52 OK 21 99 - 21 - 9234/2.9=7, 4.0/1635=6...(4) HB2 LYS 95 + QB ALA 52 OK 20 92 - 21 - 9234/2.9=6, 4.0/1635=6...(4) HB2 PRO 58 + QB ALA 52 OK 11 81 - 14 - ~9239=11, 9234/2.9=2 HB3 ARG 90 - QB ALA 52 lone 2 65 - 3 - 9234/2.9=1 Peak 9241 from cnoeabs.peaks (2.06, 1.48, 18.03 ppm; 4.62 A): 3 out of 8 assignments used, quality = 0.66: HB2 LEU 62 + QB ALA 52 OK 51 98 - 52 - 3.1/10996=34, ~9228=15...(4) HG3 PRO 81 + QB ALA 52 OK 21 73 - 29 - 2.3/9240=10, ~9238=7...(6) HB VAL 118 + QB ALA 52 OK 13 98 - 13 - ~9227=4, 2.1/9231=4, 4.6/9246=2 HB2 GLN 127 - QB ALA 52 lone 7 98 - 7 - 1999/10996=4, ~4036=1 HG3 PRO 113 - QB ALA 52 lone 5 100 - 4 - ~6649=2 HG2 PRO 117 - QB ALA 52 lone 2 87 - 3 - HB3 GLN 27 - QB ALA 52 lone 2 100 - 2 - HG3 PRO 117 - QB ALA 52 lone 2 65 - 3 - Peak 9242 from cnoeabs.peaks (2.39, 1.48, 18.03 ppm; 5.77 A): 0 out of 3 assignments used, low quality = 0.00: HG3 GLU 40 - QB ALA 52 lone 8 92 - 8 - 4.8/9247=6 HG3 GLU 55 - QB ALA 52 lone 2 73 - 3 - HG2 GLN 104 - QB ALA 52 lone 2 65 - 3 - Peak 9243 from cnoeabs.peaks (3.87, 1.48, 18.03 ppm; 5.56 A): 0 out of 2 assignments used, low quality = 0.00: HA2 GLY 114 - QB ALA 52 lone 6 73 - 8 - 1.8/1633=3, ~6651=2, ~7599=1 HA LEU 70 - QB ALA 52 lone 6 81 - 7 - 4.0/10964=3, 10822/1631=1 Peak 9244 from cnoeabs.peaks (3.91, 4.13, 54.53 ppm; 5.10 A): 0 out of 7 assignments used, low quality = 0.00: HB2 SER 107 - HA ALA 52 lone 1 73 - 2 - HA2 GLY 14 - HA ALA 52 lone 1 96 - 1 - HA3 GLY 14 - HA ALA 52 lone 1 92 - 1 - HB2 SER 33 - HA ALA 52 lone 1 98 - 1 - HA ALA 41 - HA ALA 52 lone 1 92 - 1 - HB3 SER 60 - HA ALA 52 lone 1 87 - 1 - HB2 SER 60 - HA ALA 52 lone 1 87 - 1 - Peak 9245 from cnoeabs.peaks (7.54, 4.13, 54.53 ppm; 6.75 A): 0 out of 3 assignments used, low quality = 0.31: HE22 GLN 27 - HA ALA 52 OK 20 100 - 20 - 9295/10965=12, 9297/9229=7 H LEU 119 - HA ALA 52 OK 14 81 - 18 - 9297/9229=7, 4.6/9229=5...(4) H VAL 77 - HA ALA 52 lone 7 81 - 8 - 9637/2472=1 Peak 9246 from cnoeabs.peaks (7.55, 1.48, 18.03 ppm; 5.37 A): 4 out of 5 assignments used, quality = 0.86: H THR 54 + QB ALA 52 OK 72 99 - 72 - 6675/3.7=37, 6674/2.1=33...(4) HE22 GLN 61 + QB ALA 52 OK 30 73 - 42 - 1.7/9375=23, 9369=19...(4) H GLN 82 + QB ALA 52 OK 20 96 - 21 - 4.1/9240=9, 6669/3.7=6 H LEU 119 + QB ALA 52 OK 11 65 - 16 - 4.6/9241=4, 6669/3.7=4...(4) H VAL 77 - QB ALA 52 lone 4 65 - 6 - 6669/3.7=2, 6654/2.9=2 Peak 9247 from cnoeabs.peaks (8.29, 1.48, 18.03 ppm; 5.95 A): 3 out of 4 assignments used, quality = 0.62: H LEU 43 + QB ALA 52 OK 42 100 - 42 - 6502=8, 4.6/1302=7...(9) H GLU 40 + QB ALA 52 OK 21 81 - 26 - 4.8/9242=20, 11008/10996=3 H SER 99 + QB ALA 52 OK 18 96 - 18 - 3.6/1631=3, 7376/1545=3...(5) H VAL 126 - QB ALA 52 lone 9 98 - 9 - 11008/10996=4 Peak 9248 from cnoeabs.peaks (8.02, 4.18, 56.53 ppm; 5.93 A): 1 out of 1 assignment used, quality = 0.56: H ALA 52 + HA LEU 53 OK 56 65 - 86 - ~6662=30, ~6641=26...(10) Peak 9252 from cnoeabs.peaks (0.68, 4.18, 56.53 ppm; 4.35 A): 2 out of 2 assignments used, quality = 0.61: QD2 LEU 62 + HA LEU 53 OK 44 96 - 46 - 2.1/11727=18, ~11809=16...(5) QD2 LEU 100 + HA LEU 53 OK 31 100 - 31 - 10038=24, 9253/4.3=6 Peak 9253 from cnoeabs.peaks (0.68, 1.94, 27.00 ppm; 5.49 A): 2 out of 2 assignments used, quality = 0.51: QD2 LEU 62 + HG LEU 53 OK 36 73 - 50 - ~11809=25, 9252/4.3=19...(5) QD2 LEU 100 + HG LEU 53 OK 23 92 - 26 - 10038/4.3=24 Peak 9254 from cnoeabs.peaks (3.87, 0.97, 25.20 ppm; 4.68 A): 0 out of 2 assignments used, low quality = 0.13: HA2 GLY 114 - QD2 LEU 53 OK 13 73 - 17 - ~10161=7, ~7594=6...(4) HA LEU 70 - QD2 LEU 53 lone 6 81 - 7 - ~6943=5, 11116/10489=1 Peak 9255 from cnoeabs.peaks (2.94, 0.97, 25.20 ppm; 4.66 A): 0 out of 5 assignments used, low quality = 0.12: HB2 CYS 45 - QD2 LEU 53 OK 12 96 - 12 - 4.5/9175=11 HD2 ARG 135 - QD2 LEU 53 lone 4 100 - 4 - 5.0/11725=2 HB3 ASN 116 - QD2 LEU 53 lone 3 92 - 3 - ~10232=1 HG CYS 73 - QD2 LEU 53 lone 2 99 - 2 - HE2 LYS 39 - QD2 LEU 53 lone 1 81 - 2 - Peak 9256 from cnoeabs.peaks (2.28, 0.97, 25.20 ppm; 5.08 A): 1 out of 5 assignments used, quality = 0.58: HB3 PRO 113 + QD2 LEU 53 OK 58 92 - 63 - 2.3/10142=16, ~3589=10...(12) HG2 GLN 61 - QD2 LEU 53 lone 3 99 - 3 - HG2 GLU 97 - QD2 LEU 53 lone 3 73 - 4 - 3620/10142=1 HB VAL 132 - QD2 LEU 53 lone 2 100 - 2 - HG2 GLU 30 - QD2 LEU 53 lone 1 73 - 1 - Peak 9260 from cnoeabs.peaks (4.35, 0.97, 25.20 ppm; 6.80 A): 2 out of 4 assignments used, quality = 0.56: HA CYS 125 + QD2 LEU 53 OK 39 73 - 53 - ~11728=16, ~10366=13...(8) HA PRO 81 + QD2 LEU 53 OK 28 57 - 49 - 11907/2.1=11, 3.8/1681=9...(10) HA GLN 134 - QD2 LEU 53 lone 8 87 - 9 - 11738/9255=3, 4087/11622=1 HA ASP 47 - QD2 LEU 53 lone 6 96 - 6 - 1468/11785=3 Peak 9263 from cnoeabs.peaks (4.18, 1.24, 21.56 ppm; 3.39 A): 0 out of 2 assignments used, low quality = 0.20: HA LEU 53 - QG2 THR 54 OK 20 98 - 20 - 3.6/6684=19 HA VAL 105 - QG2 THR 54 lone 0 65 - 0 - Peak 9269 from cnoeabs.peaks (2.06, 4.42, 61.58 ppm; 4.71 A): 2 out of 6 assignments used, quality = 0.57: HG3 PRO 113 + HA THR 54 OK 35 98 - 36 - 1.8/11509=7, 11510=7...(8) HB VAL 118 + HA THR 54 OK 33 81 - 41 - ~9275=14, 4.0/1690=8...(9) HB3 GLN 27 - HA THR 54 lone 6 98 - 6 - ~9272=3 HG3 PRO 58 - HA THR 54 lone 5 73 - 7 - 11557/11774=1 HB2 GLN 127 - HA THR 54 lone 2 81 - 3 - 11557/11774=1 HB2 LEU 62 - HA THR 54 lone 2 81 - 3 - Peak 9272 from cnoeabs.peaks (1.97, 1.24, 21.56 ppm; 4.16 A): 0 out of 2 assignments used, low quality = 0.23: HB ILE 37 - QG2 THR 54 OK 23 100 - 23 - 3.2/9278=16, ~11774=7 HB2 GLN 27 - QG2 THR 54 lone 4 96 - 4 - 1114/9278=2, ~9269=1 Peak 9275 from cnoeabs.peaks (0.90, 1.24, 21.56 ppm; 3.24 A): 0 out of 6 assignments used, low quality = 0.15: QG1 VAL 118 - QG2 THR 54 OK 15 96 - 16 - 3.9/1701=4, ~9269=3...(5) QG1 VAL 20 - QG2 THR 54 lone 3 96 - 4 - QD2 LEU 48 - QG2 THR 54 lone 3 92 - 4 - 9227/9233=1 QG2 VAL 63 - QG2 THR 54 lone 3 81 - 4 - 2.1/9278=3 QD1 LEU 49 - QG2 THR 54 lone 3 65 - 4 - 11727/9263=2, 3.2/10959=1 QD1 LEU 22 - QG2 THR 54 lone 1 65 - 1 - Peak 9277 from cnoeabs.peaks (0.88, 4.42, 61.58 ppm; 4.84 A): 1 out of 3 assignments used, quality = 0.63: QD2 LEU 123 + HA THR 54 OK 63 100 - 63 - 11583/3.2=24, ~11584=17...(8) QG2 VAL 20 - HA THR 54 lone 7 73 - 9 - ~9275=3, ~6678=1 QD2 LEU 98 - HA THR 54 lone 4 81 - 5 - 3924/3918=1 Peak 9278 from cnoeabs.peaks (0.78, 1.24, 21.56 ppm; 4.37 A): 0 out of 5 assignments used, low quality = 0.39: QD1 ILE 37 - QG2 THR 54 OK 32 96 - 33 - 3.2/9272=27, ~11774=6 QD1 LEU 103 - QG2 THR 54 OK 10 100 - 10 - 11549/9275=3...(3) QG1 VAL 63 - QG2 THR 54 lone 8 100 - 8 - 2.1/9275=5, 1086/9272=1 QD2 LEU 122 - QG2 THR 54 lone 3 96 - 4 - 11549/9275=1 QD1 ILE 32 - QG2 THR 54 lone 2 87 - 3 - 1086/9272=2 Peak 9281 from cnoeabs.peaks (3.65, 1.99, 30.10 ppm; 4.57 A): 2 out of 2 assignments used, quality = 1.00: HD3 PRO 56 + HB2 GLU 55 OK 93 96 - 98 - 4.8=87, 1734/3.0=38...(8) HD2 PRO 56 + HB2 GLU 55 OK 93 96 - 98 - 4.8=87, 1732/3.0=38...(8) Peak 9282 from cnoeabs.peaks (3.65, 2.04, 30.10 ppm; 4.35 A): 2 out of 2 assignments used, quality = 0.99: HD3 PRO 56 + HB3 GLU 55 OK 90 96 - 94 - 4.8=74, 1734/3.0=36...(8) HD2 PRO 56 + HB3 GLU 55 OK 90 96 - 94 - 4.8=74, 1732/3.0=35...(8) Peak 9283 from cnoeabs.peaks (3.65, 2.47, 33.76 ppm; 4.67 A): 2 out of 2 assignments used, quality = 0.88: HD3 PRO 56 + HG2 GLU 55 OK 74 100 - 74 - 1734/3.9=36, 4.8/6694=21...(7) HD2 PRO 56 + HG2 GLU 55 OK 53 73 - 73 - 3.8/1721=35, 4.8/6694=21...(6) Peak 9284 from cnoeabs.peaks (3.63, 2.40, 33.76 ppm; 4.46 A): 0 out of 2 assignments used, low quality = 0.00: HA2 GLY 66 - HG3 GLU 55 lone 1 100 - 1 - HA3 GLY 66 - HG3 GLU 55 lone 1 96 - 1 - Peak 9285 from cnoeabs.peaks (3.83, 2.47, 33.76 ppm; 5.55 A): 0 out of 2 assignments used, low quality = 0.00: HB2 SER 130 - HG2 GLU 55 lone 1 87 - 2 - HD3 PRO 58 - HG2 GLU 55 lone 1 73 - 2 - Peak 9286 from cnoeabs.peaks (3.88, 2.40, 33.76 ppm; 6.80 A): 0 out of 4 assignments used, low quality = 0.00: HB3 SER 50 - HG3 GLU 55 lone 8 87 - 10 - ~11697=5, ~1595=2 HA2 GLY 114 - HG3 GLU 55 lone 3 100 - 3 - HA LEU 70 - HG3 GLU 55 lone 3 100 - 3 - HA LYS 86 - HG3 GLU 55 lone 3 92 - 3 - Peak 9287 from cnoeabs.peaks (1.58, 2.47, 33.76 ppm; 4.71 A): 0 out of 2 assignments used, low quality = 0.00: HB2 LEU 103 - HG2 GLU 55 lone 3 87 - 4 - 4.6/7496=3 HG2 ARG 23 - HG2 GLU 55 lone 1 73 - 1 - Peak 9288 from cnoeabs.peaks (1.23, 2.47, 33.76 ppm; 5.28 A): 0 out of 1 assignment used, low quality = 0.00: QG2 THR 65 - HG2 GLU 55 lone 2 96 - 2 - Peak 9289 from cnoeabs.peaks (1.21, 2.40, 33.76 ppm; 6.11 A): 0 out of 1 assignment used, low quality = 0.00: HG12 ILE 80 - HG3 GLU 55 lone 2 99 - 2 - Peak 9291 from cnoeabs.peaks (2.38, 3.65, 49.73 ppm; 5.21 A): 0 out of 2 assignments used, low quality = 0.00: HG2 GLN 104 - HD3 PRO 56 lone 4 99 - 4 - 11440/9210=2 HG2 GLU 128 - HD3 PRO 56 lone 3 92 - 3 - 4109/6703=2 Peak 9292 from cnoeabs.peaks (0.93, 3.65, 49.73 ppm; 6.51 A): 0 out of 5 assignments used, low quality = 0.25: QD1 LEU 123 - HD3 PRO 56 OK 25 96 - 26 - 9279/4.8=20, 9294/9283=4 QG2 ILE 37 - HD3 PRO 56 lone 9 96 - 9 - 9279/4.8=7 QD1 LEU 119 - HD3 PRO 56 poor 7 57 - 12 - 9279/4.8=9 QG2 VAL 112 - HD3 PRO 56 lone 6 73 - 8 - 9279/4.8=5, 9294/9283=2 QD1 LEU 48 - HD3 PRO 56 lone 5 73 - 7 - 1533/9210=2, 9279/4.8=2 Peak 9293 from cnoeabs.peaks (7.76, 3.65, 49.73 ppm; 5.49 A): 1 out of 3 assignments used, quality = 0.96: H GLU 55 + HD3 PRO 56 OK 96 96 - 100 - 4.8=100 H VAL 118 - HD3 PRO 56 OK 31 100 - 31 - 1702/3.8=7, 1714/4.8=6...(8) HE22 GLN 68 - HD3 PRO 56 lone 6 96 - 6 - 1702/3.8=2, 1708/4.8=1 Peak 9294 from cnoeabs.peaks (0.92, 2.47, 33.76 ppm; 3.72 A): 0 out of 3 assignments used, low quality = 0.00: QD1 LEU 123 - HG2 GLU 55 lone 6 96 - 6 - 9279/4.9=5 QG2 VAL 112 - HG2 GLU 55 lone 2 100 - 2 - 9279/4.9=1 QD1 LEU 48 - HG2 GLU 55 lone 1 100 - 1 - Peak 9295 from cnoeabs.peaks (7.53, 0.86, 19.35 ppm; 4.35 A): 0 out of 1 assignment used, low quality = 0.00: HE22 GLN 27 - QG2 VAL 57 lone 7 87 - 8 - 9297/2.1=6, 9245/10965=1 Peak 9296 from cnoeabs.peaks (7.45, 0.86, 19.35 ppm; 4.39 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9297 from cnoeabs.peaks (7.54, 0.95, 21.50 ppm; 5.52 A): 2 out of 3 assignments used, quality = 0.51: H LEU 119 + QG1 VAL 57 OK 31 87 - 35 - 7647/3.9=7, 3.9/3779=5...(11) HE22 GLN 27 + QG1 VAL 57 OK 29 99 - 30 - 9295/2.1=25, 9245/9229=4 H VAL 77 - QG1 VAL 57 lone 4 87 - 4 - 9245/9229=1 Peak 9298 from cnoeabs.peaks (7.43, 0.95, 21.50 ppm; 5.38 A): 2 out of 3 assignments used, quality = 0.68: H GLN 61 + QG1 VAL 57 OK 54 87 - 62 - 4.5/10987=23...(8) H LEU 62 + QG1 VAL 57 OK 30 81 - 38 - 4.6/10988=11, 4.6/1809=9...(7) HE22 GLN 104 - QG1 VAL 57 lone 9 100 - 9 - 1960/10987=2...(3) Peak 9299 from cnoeabs.peaks (6.88, 0.95, 21.50 ppm; 6.04 A): 2 out of 2 assignments used, quality = 0.89: HE21 GLN 61 + QG1 VAL 57 OK 81 96 - 85 - 3.5/10987=30...(11) HD21 ASN 121 + QG1 VAL 57 OK 44 100 - 44 - 10336/3.9=28...(4) Peak 9300 from cnoeabs.peaks (6.88, 0.86, 19.35 ppm; 5.42 A): 2 out of 2 assignments used, quality = 0.75: HE21 GLN 61 + QG2 VAL 57 OK 62 96 - 65 - 3.5/10986=24...(7) HD21 ASN 121 + QG2 VAL 57 OK 35 100 - 35 - 10336/4.6=21...(3) Peak 9302 from cnoeabs.peaks (3.63, 2.09, 32.84 ppm; 4.15 A): 3 out of 3 assignments used, quality = 0.77: HD2 PRO 58 + HB VAL 57 OK 68 81 - 85 - 4.8=63, 1.8/9303=25...(5) HA2 GLY 66 + HB VAL 57 OK 17 98 - 17 - 9309/2.1=6, 9306/2.1=5...(6) HA3 GLY 66 + HB VAL 57 OK 11 73 - 15 - ~9309=4, ~9306=4...(5) Peak 9303 from cnoeabs.peaks (3.82, 2.09, 32.84 ppm; 4.07 A): 2 out of 3 assignments used, quality = 0.86: HD3 PRO 58 + HB VAL 57 OK 78 96 - 82 - 4.8=60, 1.8/9302=26...(5) HB2 SER 130 + HB VAL 57 OK 35 99 - 35 - 9305/2.1=21, 9308/2.1=9...(4) HA VAL 118 - HB VAL 57 lone 7 73 - 9 - 1822/4.8=3, 9308/2.1=3 Peak 9304 from cnoeabs.peaks (4.14, 0.86, 19.35 ppm; 4.05 A): 0 out of 1 assignment used, low quality = 0.35: HA ALA 52 - QG2 VAL 57 OK 35 57 - 62 - 2.1/9317=39, ~9312=20...(4) Peak 9305 from cnoeabs.peaks (3.83, 0.86, 19.35 ppm; 4.14 A): 0 out of 2 assignments used, low quality = 0.10: HB2 SER 130 - QG2 VAL 57 OK 10 65 - 16 - 9303/2.1=7, 9308/2.1=6...(4) HB2 SER 50 - QG2 VAL 57 lone 1 81 - 1 - Peak 9306 from cnoeabs.peaks (3.62, 0.86, 19.35 ppm; 4.12 A): 2 out of 2 assignments used, quality = 0.90: HD2 PRO 58 + QG2 VAL 57 OK 88 99 - 88 - 4.6=74, 9302/2.1=21...(7) HA2 GLY 66 + QG2 VAL 57 OK 16 73 - 21 - 9309/2.1=5, 9302/2.1=5...(6) Peak 9307 from cnoeabs.peaks (4.13, 0.95, 21.50 ppm; 5.77 A): 1 out of 4 assignments used, quality = 0.79: HA ALA 52 + QG1 VAL 57 OK 79 87 - 91 - 2.1/9312=43, ~9317=40...(9) HA3 GLY 114 - QG1 VAL 57 lone 7 99 - 7 - 3.6/10166=2, 1.8/10163=2 HA ILE 80 - QG1 VAL 57 lone 4 100 - 4 - 1633/9312=2 HA CYS 45 - QG1 VAL 57 lone 2 96 - 2 - Peak 9308 from cnoeabs.peaks (3.82, 0.95, 21.50 ppm; 4.26 A): 1 out of 3 assignments used, quality = 0.96: HD3 PRO 58 + QG1 VAL 57 OK 96 96 - 100 - 3.9=100 HB2 SER 130 - QG1 VAL 57 OK 41 99 - 41 - 9305/2.1=22, 9303/2.1=11...(5) HA VAL 118 - QG1 VAL 57 OK 15 73 - 21 - 3.5/9297=9, 1822/3.9=5...(6) Peak 9309 from cnoeabs.peaks (3.63, 0.95, 21.50 ppm; 4.28 A): 3 out of 3 assignments used, quality = 0.91: HD2 PRO 58 + QG1 VAL 57 OK 87 87 - 100 - 3.9=100 HA2 GLY 66 + QG1 VAL 57 OK 20 96 - 21 - 9302/2.1=7, 9306/2.1=5...(5) HA3 GLY 66 + QG1 VAL 57 OK 10 65 - 15 - ~9302=5, 9302/2.1=4...(4) Peak 9311 from cnoeabs.peaks (1.65, 0.95, 21.50 ppm; 4.34 A): 5 out of 11 assignments used, quality = 0.89: HG LEU 62 + QG1 VAL 57 OK 51 99 - 52 - ~9319=28, ~10970=17...(6) HD3 LYS 19 + QG1 VAL 57 OK 35 100 - 35 - 3.0/11829=27, 9316/2.1=5 HD2 LYS 19 + QG1 VAL 57 OK 35 100 - 35 - 3.0/11829=27, 9316/2.1=5 HG LEU 43 + QG1 VAL 57 OK 28 81 - 34 - 2.1/10971=33 HB2 LEU 98 + QG1 VAL 57 OK 26 99 - 26 - 9316/2.1=8, 3.1/1810=5...(8) HD3 LYS 86 - QG1 VAL 57 lone 7 65 - 10 - 3.0/9312=3, ~9317=2...(4) HD2 LYS 86 - QG1 VAL 57 lone 7 65 - 10 - 3.0/9312=3, ~9317=2...(4) HB2 LEU 123 - QG1 VAL 57 lone 5 100 - 5 - 9316/2.1=1 HD2 LYS 95 - QG1 VAL 57 lone 3 96 - 3 - HD3 LYS 26 - QG1 VAL 57 lone 2 73 - 3 - HD3 LYS 95 - QG1 VAL 57 lone 2 65 - 2 - Peak 9312 from cnoeabs.peaks (1.48, 0.95, 21.50 ppm; 4.05 A): 1 out of 3 assignments used, quality = 0.71: QB ALA 52 + QG1 VAL 57 OK 71 100 - 71 - 9317/2.1=39, 2.1/9229=22...(5) HG3 LYS 86 - QG1 VAL 57 lone 8 87 - 8 - 9317/2.1=4, ~9316=1 HG LEU 42 - QG1 VAL 57 lone 3 87 - 3 - 9317/2.1=1, 1629/9229=1 Peak 9314 from cnoeabs.peaks (1.98, 0.86, 19.35 ppm; 3.59 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9315 from cnoeabs.peaks (1.98, 0.95, 21.50 ppm; 3.68 A): 0 out of 1 assignment used, low quality = 0.00: HB2 GLU 55 - QG1 VAL 57 lone 0 81 - 0 - Peak 9316 from cnoeabs.peaks (1.65, 0.86, 19.35 ppm; 3.63 A): 4 out of 16 assignments used, quality = 0.71: HG LEU 62 + QG2 VAL 57 OK 40 87 - 46 - 2.1/9319=35, ~10970=11 HB2 LEU 98 + QG2 VAL 57 OK 28 99 - 28 - 3164=6, 1.8/3173=5...(11) HD2 LYS 19 + QG2 VAL 57 OK 19 92 - 20 - ~11829=12, 9311/2.1=4...(4) HD3 LYS 19 + QG2 VAL 57 OK 19 92 - 20 - ~11829=12, 9311/2.1=4...(4) HD3 LYS 86 - QG2 VAL 57 lone 7 92 - 7 - 3.0/9317=3, ~9312=1 HD2 LYS 86 - QG2 VAL 57 lone 7 92 - 7 - 3.0/9317=3, ~9312=1 HB2 LEU 123 - QG2 VAL 57 lone 5 96 - 5 - 2001/9319=2 HD2 LYS 95 - QG2 VAL 57 lone 3 100 - 3 - HD3 LYS 95 - QG2 VAL 57 lone 3 92 - 3 - HD3 LYS 26 - QG2 VAL 57 lone 1 96 - 1 - HD3 LYS 31 - QG2 VAL 57 lone 1 87 - 1 - HD2 LYS 26 - QG2 VAL 57 lone 1 87 - 1 - HD2 LYS 31 - QG2 VAL 57 lone 1 81 - 1 - HD3 LYS 24 - QG2 VAL 57 lone 1 87 - 1 - HD2 LYS 24 - QG2 VAL 57 lone 1 81 - 1 - QB ALA 88 - QG2 VAL 57 lone 1 81 - 1 - Peak 9317 from cnoeabs.peaks (1.48, 0.86, 19.35 ppm; 3.18 A): 1 out of 3 assignments used, quality = 0.66: QB ALA 52 + QG2 VAL 57 OK 66 100 - 66 - 10964=30, 2.1/9304=22...(7) HG3 LYS 86 - QG2 VAL 57 lone 7 92 - 7 - 9312/2.1=2, 10996/9319=1...(4) HG LEU 42 - QG2 VAL 57 lone 2 81 - 3 - Peak 9318 from cnoeabs.peaks (1.25, 0.86, 19.35 ppm; 4.27 A): 0 out of 2 assignments used, low quality = 0.00: QG2 THR 83 - QG2 VAL 57 lone 5 65 - 7 - ~9765=6 QG2 THR 54 - QG2 VAL 57 lone 1 73 - 1 - Peak 9319 from cnoeabs.peaks (0.67, 0.86, 19.35 ppm; 3.23 A): 0 out of 2 assignments used, low quality = 0.32: QD2 LEU 62 - QG2 VAL 57 OK 32 99 - 33 - 10970/2.1=9...(6) QD2 LEU 100 - QG2 VAL 57 lone 3 92 - 4 - 9417/11784=1 Peak 9321 from cnoeabs.peaks (1.46, 2.09, 32.84 ppm; 6.24 A): 0 out of 1 assignment used, low quality = 0.00: HG3 LYS 36 - HB VAL 57 poor 9 87 - 10 - ~10898=8 Peak 9322 from cnoeabs.peaks (2.00, 4.59, 58.62 ppm; 4.43 A): 4 out of 9 assignments used, quality = 0.92: HB3 PRO 56 + HA VAL 57 OK 58 99 - 58 - ~6697=22, 6699/3.0=15...(9) HG2 PRO 56 + HA VAL 57 OK 45 92 - 49 - ~6703=10, ~6702=10...(8) HG3 PRO 56 + HA VAL 57 OK 45 92 - 49 - ~6703=10, ~6702=10...(8) HB ILE 129 + HA VAL 57 OK 34 100 - 34 - 4128/3.0=10, 3.8/1792=6...(7) HB2 GLU 91 - HA VAL 57 lone 2 73 - 3 - HG2 PRO 81 - HA VAL 57 lone 2 96 - 2 - HB3 PRO 117 - HA VAL 57 lone 1 87 - 1 - HB VAL 20 - HA VAL 57 lone 1 100 - 1 - HB3 LEU 53 - HA VAL 57 lone 1 65 - 1 - Peak 9323 from cnoeabs.peaks (0.94, 3.62, 50.62 ppm; 4.29 A): 2 out of 3 assignments used, quality = 0.87: QG1 VAL 57 + HD2 PRO 58 OK 81 81 - 100 - 3.9=100 QD1 LEU 119 + HD2 PRO 58 OK 34 100 - 34 - 9325/1.8=12, 11557/2.3=7...(8) QG2 ILE 37 - HD2 PRO 58 lone 2 87 - 2 - 9325/1.8=1 Peak 9324 from cnoeabs.peaks (0.84, 3.62, 50.62 ppm; 5.46 A): 0 out of 2 assignments used, low quality = 0.38: QD2 LEU 22 - HD2 PRO 58 OK 26 99 - 27 - 9326/1.8=26 QG1 VAL 133 - HD2 PRO 58 OK 16 81 - 20 - 9326/1.8=18 Peak 9325 from cnoeabs.peaks (0.94, 3.82, 50.62 ppm; 4.30 A): 2 out of 3 assignments used, quality = 0.88: QG1 VAL 57 + HD3 PRO 58 OK 81 81 - 100 - 3.9=100 QD1 LEU 119 + HD3 PRO 58 OK 38 100 - 38 - 9323/1.8=11, 11557/2.3=8...(11) QG2 ILE 37 - HD3 PRO 58 lone 4 87 - 4 - Peak 9326 from cnoeabs.peaks (0.84, 3.82, 50.62 ppm; 4.52 A): 0 out of 2 assignments used, low quality = 0.26: QD2 LEU 22 - HD3 PRO 58 OK 16 99 - 16 - 9324/1.8=15 QG1 VAL 133 - HD3 PRO 58 OK 11 98 - 11 - 9324/1.8=9 Peak 9327 from cnoeabs.peaks (0.81, 1.95, 32.16 ppm; 4.78 A): 0 out of 4 assignments used, low quality = 0.15: QG2 ILE 80 - HB2 PRO 58 OK 15 99 - 15 - 4.0/11193=6, 4.0/11191=6 QD1 LEU 122 - HB2 PRO 58 lone 3 92 - 3 - QD1 LEU 70 - HB2 PRO 58 lone 2 81 - 3 - QG2 ILE 129 - HB2 PRO 58 lone 2 57 - 3 - Peak 9330 from cnoeabs.peaks (8.66, 2.41, 32.16 ppm; 5.12 A): 2 out of 4 assignments used, quality = 0.81: H SER 60 + HB3 PRO 58 OK 72 96 - 75 - 9338/2.3=29, 6736/4.3=29...(7) H HIS 67 + HB3 PRO 58 OK 33 87 - 38 - 9334/2.3=17, 4.1/1855=9...(6) H SER 50 - HB3 PRO 58 lone 10 98 - 10 - 9334/2.3=3, 6721/4.3=3, ~9221=2 H HIS 8 - HB3 PRO 58 lone 3 92 - 3 - 9334/2.3=1 Peak 9331 from cnoeabs.peaks (7.44, 2.41, 32.16 ppm; 5.38 A): 1 out of 1 assignment used, quality = 0.65: H LEU 62 + HB3 PRO 58 OK 65 92 - 71 - 9333/1.8=47, 3.9/6758=12...(8) Peak 9332 from cnoeabs.peaks (8.65, 1.95, 32.16 ppm; 4.96 A): 0 out of 2 assignments used, low quality = 0.21: H HIS 67 - HB2 PRO 58 OK 21 65 - 32 - 9334/2.3=13, 4.1/1847=9...(5) H HIS 8 - HB2 PRO 58 lone 1 57 - 2 - Peak 9333 from cnoeabs.peaks (7.44, 1.95, 32.16 ppm; 4.64 A): 0 out of 1 assignment used, low quality = 0.31: H LEU 62 - HB2 PRO 58 OK 31 92 - 34 - 9331/1.8=30, 1960/1842=4 Peak 9334 from cnoeabs.peaks (8.65, 4.45, 62.57 ppm; 5.56 A): 2 out of 3 assignments used, quality = 0.67: H HIS 67 + HA PRO 58 OK 63 100 - 63 - 9332/2.3=21, 6861=15...(11) H SER 50 + HA PRO 58 OK 10 96 - 11 - ~9221=3, 9330/2.3=2, 6721/3.6=2 H HIS 8 - HA PRO 58 lone 5 99 - 4 - 9332/2.3=1 Peak 9354 from cnoeabs.peaks (0.91, 2.62, 38.37 ppm; 5.12 A): 4 out of 5 assignments used, quality = 0.89: QD1 LEU 62 + HB2 ASN 59 OK 76 96 - 79 - 9388/3.0=23, 9357/1.8=21...(10) QD1 LEU 49 + HB2 ASN 59 OK 28 98 - 29 - 9342/3.5=9, 9347/3.5=8...(5) QG2 VAL 63 + HB2 ASN 59 OK 26 100 - 26 - 9342/3.5=8, 9347/3.5=7...(5) QG1 VAL 20 + HB2 ASN 59 OK 13 99 - 13 - 9342/3.5=5, 9347/3.5=4 QD2 LEU 48 - HB2 ASN 59 lone 9 100 - 8 - 9357/1.8=2, 9342/3.5=2 Peak 9355 from cnoeabs.peaks (0.77, 2.62, 38.37 ppm; 4.83 A): 0 out of 2 assignments used, low quality = 0.39: QD1 LEU 96 - HB2 ASN 59 OK 39 98 - 40 - ~9359=22, 9363/1.8=14, ~9362=9 QD1 ILE 32 - HB2 ASN 59 lone 7 73 - 10 - 10848=5, 9363/1.8=4 Peak 9356 from cnoeabs.peaks (1.41, 2.87, 38.37 ppm; 5.89 A): 0 out of 2 assignments used, low quality = 0.34: QB ALA 16 - HB3 ASN 59 OK 34 92 - 37 - 9341/3.5=31, 9394/9357=5 QB ALA 34 - HB3 ASN 59 lone 5 65 - 7 - 9341/3.5=4 Peak 9357 from cnoeabs.peaks (0.91, 2.87, 38.37 ppm; 4.75 A): 4 out of 5 assignments used, quality = 0.88: QD1 LEU 62 + HB3 ASN 59 OK 75 100 - 76 - 9388/3.0=24, ~9360=17...(11) QD1 LEU 49 + HB3 ASN 59 OK 28 100 - 28 - 9342/3.5=9, 9347/3.5=7...(5) QG2 VAL 63 + HB3 ASN 59 OK 25 98 - 25 - 9361/3.0=7, 9342/3.5=7...(5) QG1 VAL 20 + HB3 ASN 59 OK 10 87 - 12 - 9342/3.5=5, 9347/3.5=4 QD2 LEU 48 - HB3 ASN 59 lone 8 92 - 8 - 9354/1.8=2, 9342/3.5=2...(4) Peak 9358 from cnoeabs.peaks (0.91, 4.33, 38.37 ppm; 6.80 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9359 from cnoeabs.peaks (1.40, 4.33, 56.25 ppm; 3.31 A): 0 out of 4 assignments used, low quality = 0.20: HG LEU 96 - HA ASN 59 OK 20 100 - 20 - ~9355=8, 2.1/9362=6...(5) QB ALA 16 - HA ASN 59 lone 3 81 - 4 - 9341/4.4=3 HG3 LYS 31 - HA ASN 59 lone 2 81 - 2 - QB ALA 109 - HA ASN 59 lone 1 65 - 1 - Peak 9360 from cnoeabs.peaks (1.15, 4.33, 56.25 ppm; 4.40 A): 1 out of 2 assignments used, quality = 0.70: HB3 LEU 62 + HA ASN 59 OK 70 92 - 76 - 1.8/1880=29, 3.2/9361=23...(11) HG3 LYS 39 - HA ASN 59 lone 2 81 - 3 - Peak 9361 from cnoeabs.peaks (0.92, 4.33, 56.25 ppm; 3.48 A): 3 out of 6 assignments used, quality = 0.75: QD1 LEU 62 + HA ASN 59 OK 64 96 - 67 - 9388=21, 3.2/9360=18...(11) QG2 VAL 63 + HA ASN 59 OK 20 81 - 24 - 3.7/6800=6, 11012/1881=3...(10) QD1 LEU 49 + HA ASN 59 OK 16 92 - 17 - 9342/4.4=4, 9347/4.4=3...(8) QD2 LEU 48 - HA ASN 59 lone 3 65 - 5 - QD1 LEU 48 - HA ASN 59 lone 2 87 - 2 - QG2 VAL 112 - HA ASN 59 lone 0 87 - 1 - Peak 9362 from cnoeabs.peaks (0.75, 4.33, 56.25 ppm; 4.92 A): 4 out of 5 assignments used, quality = 0.85: QD2 LEU 96 + HA ASN 59 OK 58 100 - 58 - 2.1/9359=39, ~9355=19...(4) QD2 LEU 103 + HA ASN 59 OK 43 73 - 59 - ~11706=21, ~11707=19...(7) QG1 VAL 93 + HA ASN 59 OK 26 100 - 26 - 11331/4.4=20...(3) QD2 LEU 43 + HA ASN 59 OK 17 87 - 19 - 11089/9360=7, 11087=7...(4) HG12 ILE 129 - HA ASN 59 lone 4 100 - 4 - 3088/9359=3 Peak 9363 from cnoeabs.peaks (0.77, 2.87, 38.37 ppm; 5.44 A): 3 out of 4 assignments used, quality = 0.80: QD1 LEU 96 + HB3 ASN 59 OK 59 100 - 59 - 9355/1.8=35, ~9359=28, ~9362=11 QD1 LEU 103 + HB3 ASN 59 OK 41 65 - 63 - 2.1/9364=24...(6) QD1 ILE 32 + HB3 ASN 59 OK 16 96 - 16 - 10848/1.8=13 QD1 ILE 37 - HB3 ASN 59 lone 8 87 - 9 - 2.1/9364=5, 1117/9364=2 Peak 9364 from cnoeabs.peaks (1.56, 2.87, 38.37 ppm; 6.35 A): 2 out of 3 assignments used, quality = 0.77: HG LEU 103 + HB3 ASN 59 OK 73 99 - 73 - 11428/3.5=41, ~11706=38...(4) HG13 ILE 37 + HB3 ASN 59 OK 14 98 - 15 - 9340/3.5=7, 2.1/9363=3 HG LEU 123 - HB3 ASN 59 lone 4 65 - 6 - 9340/3.5=3 Peak 9366 from cnoeabs.peaks (7.14, 4.01, 60.84 ppm; 6.59 A): 0 out of 2 assignments used, low quality = 0.37: QD TYR 72 - HA SER 60 OK 37 92 - 40 - 2.2/9367=39 HD2 HIS 67 - HA SER 60 lone 3 65 - 5 - 5513/9367=1 Peak 9367 from cnoeabs.peaks (6.81, 4.01, 60.84 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.51: QE TYR 72 + HA SER 60 OK 51 100 - 51 - 2.2/9366=39, 9063/10933=17 Peak 9377 from cnoeabs.peaks (0.94, 2.28, 33.67 ppm; 4.03 A): 2 out of 3 assignments used, quality = 0.83: QG1 VAL 57 + HG2 GLN 61 OK 74 98 - 76 - 10987/1.8=26...(14) QD1 LEU 119 + HG2 GLN 61 OK 36 96 - 38 - 9371/3.5=15...(4) QG2 ILE 37 - HG2 GLN 61 lone 5 57 - 8 - 9371/3.5=4, 9376/3.5=2 Peak 9378 from cnoeabs.peaks (0.87, 2.10, 28.56 ppm; 3.73 A): 0 out of 4 assignments used, low quality = 0.00: QD2 LEU 98 - HB3 GLN 61 lone 8 99 - 8 - 10986/3.0=2, ~10986=2...(4) QD2 LEU 98 - HB2 GLN 61 lone 7 85 - 8 - 10986/3.0=2, ~10986=2...(4) QD2 LEU 69 - HB3 GLN 61 lone 5 92 - 5 - 10986/3.0=2, 10989/3.0=2 QD2 LEU 69 - HB2 GLN 61 lone 4 75 - 5 - 10986/3.0=2, 10989/3.0=2 Peak 9379 from cnoeabs.peaks (0.89, 4.28, 57.87 ppm; 4.53 A): 0 out of 4 assignments used, low quality = 0.25: QD1 LEU 22 - HA GLN 61 OK 25 100 - 25 - 409=6, 2.1/401=5...(8) QG1 VAL 118 - HA GLN 61 lone 7 87 - 8 - 9415/6833=3, 9414/1923=2 QG2 VAL 20 - HA GLN 61 lone 6 99 - 6 - 9415/6833=1, 9414/1923=1 QD2 LEU 123 - HA GLN 61 lone 4 65 - 6 - 3945/4.9=3, ~10983=1 Peak 9383 from cnoeabs.peaks (7.94, 3.85, 57.95 ppm; 5.85 A): 1 out of 2 assignments used, quality = 0.54: H SER 124 + HA LEU 62 OK 54 98 - 55 - 7762=11, 4.6/3920=11...(12) H VAL 112 - HA LEU 62 lone 2 73 - 2 - Peak 9384 from cnoeabs.peaks (8.89, 0.68, 23.19 ppm; 4.03 A): 2 out of 2 assignments used, quality = 0.79: H ASN 59 + QD2 LEU 62 OK 55 99 - 55 - ~9361=12, ~9360=12...(11) H GLY 66 + QD2 LEU 62 OK 53 87 - 61 - 9435=18, 4.1/10990=15...(8) Peak 9385 from cnoeabs.peaks (8.91, 0.91, 26.02 ppm; 5.41 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9386 from cnoeabs.peaks (3.37, 0.68, 23.19 ppm; 3.34 A): 1 out of 1 assignment used, quality = 0.73: HA VAL 63 + QD2 LEU 62 OK 73 100 - 73 - 9397=23, 2.9/2004=11...(22) Peak 9387 from cnoeabs.peaks (4.32, 0.68, 23.19 ppm; 5.08 A): 0 out of 2 assignments used, low quality = 0.27: HA2 GLY 75 - QD2 LEU 62 OK 27 100 - 27 - ~9606=18, 10999/3.9=10 HA TYR 76 - QD2 LEU 62 lone 3 81 - 4 - 10999/3.9=3 Peak 9388 from cnoeabs.peaks (4.33, 0.91, 26.02 ppm; 3.75 A): 4 out of 5 assignments used, quality = 0.86: HA ASN 59 + QD1 LEU 62 OK 76 100 - 76 - 9361=28, 9360/3.2=21...(12) HA PRO 81 + QD1 LEU 62 OK 19 98 - 20 - 11000/2.1=4, 6780/4.6=4...(6) HA LYS 24 + QD1 LEU 62 OK 17 100 - 17 - 3.0/10733=6, 11000/2.1=3...(5) HA LEU 69 + QD1 LEU 62 OK 14 98 - 14 - 3.7/11809=4, 11000/2.1=2...(5) HA ASP 47 - QD1 LEU 62 lone 6 65 - 8 - 3.0/10956=2, 3.6/6587=1 Peak 9394 from cnoeabs.peaks (1.41, 0.91, 26.02 ppm; 4.29 A): 0 out of 3 assignments used, low quality = 0.00: QB ALA 16 - QD1 LEU 62 poor 9 65 - 15 - 9356/9357=3, 4.7/10680=3...(6) HG2 LYS 86 - QD1 LEU 62 lone 5 81 - 5 - ~10996=5 QB ALA 34 - QD1 LEU 62 lone 1 92 - 1 - Peak 9395 from cnoeabs.peaks (0.77, 2.06, 42.10 ppm; 4.33 A): 0 out of 3 assignments used, low quality = 0.10: QD1 ILE 37 - HB2 LEU 62 OK 10 73 - 14 - ~10910=7, ~10906=5, 6813/4.5=1 QD1 ILE 32 - HB2 LEU 62 lone 4 87 - 4 - 6813/4.5=1, 10849/4070=1 QD1 LEU 96 - HB2 LEU 62 lone 3 100 - 3 - 10995/1.8=1 Peak 9397 from cnoeabs.peaks (0.68, 3.37, 66.55 ppm; 3.60 A): 2 out of 2 assignments used, quality = 0.94: QD2 LEU 62 + HA VAL 63 OK 85 99 - 85 - 9386=49, 2004/2.9=13...(22) QD2 LEU 100 + HA VAL 63 OK 60 100 - 60 - 2.1/10034=24...(13) Peak 9399 from cnoeabs.peaks (1.78, 3.37, 66.55 ppm; 5.56 A): 2 out of 3 assignments used, quality = 0.84: HG LEU 100 + HA VAL 63 OK 79 100 - 79 - 2.1/10034=48...(8) HB2 LEU 48 + HA VAL 63 OK 24 98 - 24 - 3269/10034=3, 1500/3.2=3...(12) HB3 LEU 98 - HA VAL 63 lone 6 81 - 7 - 3269/10034=3, ~6808=1 Peak 9400 from cnoeabs.peaks (2.38, 0.78, 21.57 ppm; 4.33 A): 2 out of 2 assignments used, quality = 0.84: HG2 GLN 104 + QG1 VAL 63 OK 81 100 - 81 - 1.8/11443=22, 11441=19...(15) HG2 GLU 128 + QG1 VAL 63 OK 17 87 - 20 - 3.0/11626=9, ~11010=3...(7) Peak 9401 from cnoeabs.peaks (2.46, 0.78, 21.57 ppm; 4.61 A): 1 out of 2 assignments used, quality = 0.51: HG2 MET 11 + QG1 VAL 63 OK 51 92 - 57 - ~10651=24, 2.9/2029=12...(7) HG2 GLU 55 - QG1 VAL 63 lone 7 92 - 8 - 9288/9431=4, 9287/3376=1 Peak 9405 from cnoeabs.peaks (7.42, 0.78, 21.57 ppm; 4.50 A): 2 out of 2 assignments used, quality = 0.83: HE22 GLN 104 + QG1 VAL 63 OK 74 92 - 81 - 3.5/9400=25, 10078=19...(15) H GLN 61 + QG1 VAL 63 OK 34 99 - 34 - 6802/4.0=21...(4) Peak 9406 from cnoeabs.peaks (7.14, 0.78, 21.57 ppm; 3.71 A): 0 out of 2 assignments used, low quality = 0.00: HD2 HIS 67 - QG1 VAL 63 poor 7 65 - 11 - 4.0/9468=6, 4.0/9465=2 QD TYR 72 - QG1 VAL 63 lone 5 92 - 5 - ~9517=2, 2.7/9518=1 Peak 9407 from cnoeabs.peaks (7.43, 0.91, 22.96 ppm; 4.55 A): 3 out of 3 assignments used, quality = 0.96: HE22 GLN 104 + QG2 VAL 63 OK 85 100 - 85 - 9405/2.1=23, 10077=22...(15) H LEU 62 + QG2 VAL 63 OK 57 81 - 70 - 3.9/11012=26...(11) H GLN 61 + QG2 VAL 63 OK 41 87 - 47 - 6802/3.7=20, 9405/2.1=11...(7) Peak 9408 from cnoeabs.peaks (8.57, 0.78, 21.57 ppm; 4.15 A): 0 out of 2 assignments used, low quality = 0.30: H GLY 114 - QG1 VAL 63 OK 17 92 - 19 - 4.6/11810=15, 11430/9405=2 H ARG 90 - QG1 VAL 63 OK 16 81 - 19 - 2.9/9899=9, 7219/2.1=3...(5) Peak 9411 from cnoeabs.peaks (0.78, 4.46, 57.70 ppm; 4.46 A): 3 out of 6 assignments used, quality = 0.82: QG1 VAL 63 + HA ASP 64 OK 69 99 - 69 - 2032/2.9=28, ~2026=18...(8) QD1 LEU 103 + HA ASP 64 OK 30 98 - 30 - 11708/4.9=14, 6825/2.9=8...(4) QD1 ILE 37 + HA ASP 64 OK 20 87 - 23 - 6825/2.9=6, ~1104=3...(8) QD2 LEU 122 - HA ASP 64 lone 10 99 - 10 - 9416/3.6=2, 6825/2.9=2...(4) QD1 ILE 32 - HA ASP 64 lone 5 73 - 7 - 2016/4.9=2, 6825/2.9=2 QD1 LEU 53 - HA ASP 64 lone 4 65 - 5 - 9416/3.6=2, 9465/2045=1 Peak 9412 from cnoeabs.peaks (0.89, 4.46, 57.70 ppm; 5.02 A): 0 out of 4 assignments used, low quality = 0.34: QG1 VAL 118 - HA ASP 64 OK 14 65 - 21 - 9415/3.6=11, 9414/3.0=4...(4) QG2 VAL 20 - HA ASP 64 OK 13 100 - 13 - 9415/3.6=6, ~9414=2...(4) QD1 LEU 22 - HA ASP 64 OK 12 96 - 13 - 9415/3.6=8, 9414/3.0=4 QD2 LEU 123 - HA ASP 64 lone 3 87 - 3 - 9350/6709=1 Peak 9413 from cnoeabs.peaks (0.78, 2.75, 39.83 ppm; 5.35 A): 3 out of 6 assignments used, quality = 0.65: QG1 VAL 63 + HB2 ASP 64 OK 49 96 - 51 - 4.3/2048=34, 9411/3.0=15 QD1 LEU 103 + HB2 ASP 64 OK 19 98 - 20 - 6825/3.9=8, 9411/3.0=7 QD1 ILE 37 + HB2 ASP 64 OK 16 100 - 16 - 1112/3.9=6, 9411/3.0=4 QD1 ILE 32 - HB2 ASP 64 lone 6 99 - 6 - 6825/3.9=2, 9411/3.0=1 QD2 LEU 122 - HB2 ASP 64 lone 6 73 - 8 - 6825/3.9=2, 9411/3.0=2 QD1 LEU 96 - HB2 ASP 64 lone 3 81 - 4 - Peak 9414 from cnoeabs.peaks (0.90, 2.75, 39.83 ppm; 6.26 A): 4 out of 4 assignments used, quality = 0.65: QG1 VAL 118 + HB2 ASP 64 OK 33 100 - 33 - 9415/4.6=17, 9412/3.0=8...(5) QD1 LEU 22 + HB2 ASP 64 OK 29 96 - 30 - 9415/4.6=12, 9379/1923=9...(4) QG2 VAL 20 + HB2 ASP 64 OK 17 81 - 20 - 9415/4.6=9, 9412/3.0=7...(4) QG1 VAL 20 + HB2 ASP 64 OK 12 65 - 18 - ~9412=11, 9415/4.6=5, 6826/3.9=1 Peak 9418 from cnoeabs.peaks (0.91, 3.97, 66.53 ppm; 4.95 A): 3 out of 6 assignments used, quality = 0.94: QD2 LEU 48 + HA THR 65 OK 71 99 - 71 - 10957/3.2=47, ~11370=19...(5) QG2 VAL 63 + HA THR 65 OK 58 96 - 61 - ~9416=15, ~6836=13...(8) QD1 LEU 49 + HA THR 65 OK 50 87 - 58 - ~9442=16, 2.1/9419=16...(7) QD1 LEU 62 - HA THR 65 OK 29 81 - 36 - ~9432=16, ~9417=13, 9430/3.2=5 QG1 VAL 118 - HA THR 65 OK 23 81 - 29 - 9415/2.9=12, 9421/3.0=7...(4) QG1 VAL 20 - HA THR 65 OK 20 100 - 20 - ~9415=6, 9415/2.9=3...(6) Peak 9419 from cnoeabs.peaks (0.80, 3.97, 66.53 ppm; 6.47 A): 3 out of 3 assignments used, quality = 0.91: QD2 LEU 49 + HA THR 65 OK 87 100 - 87 - 9434/3.6=33, ~9442=28...(12) QD1 LEU 53 + HA THR 65 OK 17 98 - 17 - 9434/3.6=6, 9416/2.9=2...(5) QD2 LEU 119 + HA THR 65 OK 17 96 - 17 - 9434/3.6=7, 9448/4.9=3...(4) Peak 9421 from cnoeabs.peaks (0.90, 4.07, 67.84 ppm; 4.28 A): 3 out of 5 assignments used, quality = 0.72: QD2 LEU 48 + HB THR 65 OK 52 87 - 59 - 10957/2.1=37, ~11370=19...(4) QG2 VAL 63 + HB THR 65 OK 25 73 - 34 - 2.1/11020=13, ~9431=12...(5) QG1 VAL 118 + HB THR 65 OK 22 98 - 23 - 9415/4.0=10, 9433/4.5=7...(5) QD1 LEU 22 - HB THR 65 poor 9 73 - 13 - 9415/4.0=7, 9433/4.5=5 QG1 VAL 20 - HB THR 65 lone 8 92 - 8 - 9430/2.1=3, 9415/4.0=3 Peak 9422 from cnoeabs.peaks (0.79, 4.07, 67.84 ppm; 5.56 A): 3 out of 5 assignments used, quality = 0.82: QG1 VAL 63 + HB THR 65 OK 49 87 - 57 - 9416/4.0=21, 11020=17...(7) QD2 LEU 49 + HB THR 65 OK 47 73 - 64 - ~9442=27, ~10959=17...(8) QD1 LEU 103 + HB THR 65 OK 34 81 - 42 - ~11025=22, 9431/2.1=8...(7) QD1 LEU 53 - HB THR 65 lone 9 92 - 9 - 9434/4.5=2, 9416/4.0=2 QD2 LEU 122 - HB THR 65 lone 8 99 - 8 - 9416/4.0=3, 9431/2.1=1 Peak 9429 from cnoeabs.peaks (2.78, 3.97, 66.53 ppm; 6.26 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9430 from cnoeabs.peaks (0.91, 1.23, 22.77 ppm; 2.85 A): 4 out of 6 assignments used, quality = 0.80: QD2 LEU 48 + QG2 THR 65 OK 58 98 - 59 - 10957=38, 2.1/11370=10...(10) QD1 LEU 49 + QG2 THR 65 OK 32 81 - 39 - 3.2/9442=12, 4.1/9200=10...(9) QG2 VAL 63 + QG2 THR 65 OK 20 92 - 22 - 2.1/9431=10, ~11020=3...(5) QD1 LEU 62 + QG2 THR 65 OK 15 73 - 21 - 2.1/9432=9, 4.1/10997=7...(4) QG1 VAL 118 - QG2 THR 65 poor 9 87 - 11 - 9415/4.0=4, 9421/2.1=3 QG1 VAL 20 - QG2 THR 65 lone 9 99 - 9 - 4.3/9445=2 Peak 9431 from cnoeabs.peaks (0.78, 1.23, 22.77 ppm; 3.42 A): 3 out of 6 assignments used, quality = 0.49: QG1 VAL 63 + QG2 THR 65 OK 28 99 - 28 - 11020/2.1=7, 9416/4.0=6...(7) QD1 LEU 103 + QG2 THR 65 OK 21 100 - 22 - 2.1/11025=15, 9416/4.0=2 QD1 ILE 37 + QG2 THR 65 OK 11 99 - 11 - 2.1/11025=7...(3) QD2 LEU 122 - QG2 THR 65 lone 3 87 - 4 - 9416/4.0=1 QD1 ILE 32 - QG2 THR 65 lone 3 96 - 3 - QD1 LEU 96 - QG2 THR 65 lone 1 65 - 1 - Peak 9432 from cnoeabs.peaks (0.67, 1.23, 22.77 ppm; 4.50 A): 2 out of 2 assignments used, quality = 0.61: QD2 LEU 62 + QG2 THR 65 OK 50 87 - 57 - 3.9/10997=23...(8) QD2 LEU 100 + QG2 THR 65 OK 22 65 - 34 - 9435/4.4=12, 9417/4.0=10...(9) Peak 9440 from cnoeabs.peaks (1.48, 1.23, 22.77 ppm; 3.45 A): 1 out of 3 assignments used, quality = 0.49: QB ALA 52 + QG2 THR 65 OK 49 96 - 51 - 2.1/11813=21...(6) HG3 LYS 86 - QG2 THR 65 lone 2 100 - 2 - HG3 LYS 36 - QG2 THR 65 lone 0 65 - 0 - Peak 9441 from cnoeabs.peaks (1.70, 1.23, 22.77 ppm; 3.84 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9442 from cnoeabs.peaks (1.92, 1.23, 22.77 ppm; 3.76 A): 1 out of 5 assignments used, quality = 0.58: HB3 LEU 49 + QG2 THR 65 OK 58 100 - 58 - 3.0/9200=25, 3.9/9445=16...(9) HB3 LEU 123 - QG2 THR 65 poor 4 44 - 10 - 3.0/11025=5, ~2067=1 HB2 ARG 90 - QG2 THR 65 lone 4 96 - 4 - 1539/9200=1 HB2 PRO 113 - QG2 THR 65 lone 3 81 - 4 - 1539/9200=1 HB2 MET 11 - QG2 THR 65 lone 2 87 - 3 - Peak 9443 from cnoeabs.peaks (2.18, 1.23, 22.77 ppm; 3.46 A): 0 out of 3 assignments used, low quality = 0.34: HB3 GLN 68 - QG2 THR 65 OK 34 81 - 42 - 2066/3.2=13, 4.4/11068=8...(7) HB2 GLN 104 - QG2 THR 65 lone 7 96 - 7 - 3.9/11029=3 HB VAL 133 - QG2 THR 65 lone 1 92 - 1 - Peak 9445 from cnoeabs.peaks (8.31, 1.23, 22.77 ppm; 3.97 A): 2 out of 5 assignments used, quality = 0.55: H LEU 49 + QG2 THR 65 OK 50 65 - 76 - 2.9/9200=28, 3.9/9442=20...(13) H ALA 21 + QG2 THR 65 OK 10 96 - 11 - 6178/10957=3...(3) H TYR 72 - QG2 THR 65 lone 3 57 - 5 - 9148/9155=3, 9520/10959=1 H GLY 111 - QG2 THR 65 lone 3 65 - 4 - H GLY 17 - QG2 THR 65 lone 2 73 - 3 - 4.6/9446=1 Peak 9446 from cnoeabs.peaks (8.03, 1.23, 22.77 ppm; 4.79 A): 1 out of 3 assignments used, quality = 0.81: H ALA 52 + QG2 THR 65 OK 81 100 - 81 - 2.9/9440=42, 3.3/9250=33...(7) H SER 130 - QG2 THR 65 poor 9 81 - 11 - 7879/11029=3, 7878/3.2=2 H ALA 16 - QG2 THR 65 lone 7 99 - 7 - 6660/9250=1, 1632/9440=1...(5) Peak 9448 from cnoeabs.peaks (0.80, 3.63, 47.55 ppm; 4.48 A): 3 out of 8 assignments used, quality = 0.70: QD2 LEU 49 + HA3 GLY 66 OK 54 87 - 63 - 9434/2.9=25, 9460/3.6=19...(5) QD2 LEU 49 + HA2 GLY 66 OK 27 44 - 62 - 9434/2.9=25, 9460/3.6=19...(5) QD2 LEU 119 + HA3 GLY 66 OK 11 99 - 11 - 9434/2.9=5, 9460/3.6=3 QD1 LEU 53 - HA3 GLY 66 poor 7 65 - 11 - 9434/2.9=5, 9460/3.6=4 QD2 LEU 119 - HA2 GLY 66 poor 6 56 - 11 - 9434/2.9=5, 9460/3.6=3 QD1 LEU 53 - HA2 GLY 66 poor 3 31 - 10 - 9434/2.9=5, 9460/3.6=4 QD1 LEU 122 - HA3 GLY 66 lone 2 96 - 2 - 9434/2.9=1 QD1 LEU 122 - HA2 GLY 66 lone 1 51 - 2 - 9434/2.9=1 Peak 9449 from cnoeabs.peaks (0.67, 3.63, 47.55 ppm; 4.74 A): 0 out of 2 assignments used, low quality = 0.32: QD2 LEU 62 - HA3 GLY 66 OK 24 73 - 32 - 9435/2.9=17...(3) QD2 LEU 62 - HA2 GLY 66 OK 11 35 - 31 - 9435/2.9=17...(4) Peak 9451 from cnoeabs.peaks (8.66, 7.15, 118.65 ppm; 6.15 A): 1 out of 4 assignments used, quality = 0.99: H HIS 67 + HD2 HIS 67 OK 99 100 - 100 - 6.2=97, 6869/4.0=40...(9) H SER 50 - HD2 HIS 67 OK 36 99 - 36 - 2092/4.7=11, 2103/4.0=9...(7) H HIS 8 - HD2 HIS 67 OK 10 100 - 10 - 2111/4.0=2, 2103/4.0=2 H SER 60 - HD2 HIS 67 lone 4 65 - 7 - 2.8/9366=1 Peak 9462 from cnoeabs.peaks (0.82, 4.22, 58.98 ppm; 3.83 A): 2 out of 4 assignments used, quality = 0.63: QD1 LEU 70 + HA HIS 67 OK 54 96 - 57 - 4.3/2099=15, 11102=13...(10) QG2 ILE 129 + HA HIS 67 OK 20 100 - 20 - 11180/3.6=14...(4) HG13 ILE 80 - HA HIS 67 lone 6 100 - 6 - ~11184=2, 6950/2099=1 QG2 ILE 80 - HA HIS 67 lone 5 65 - 7 - ~11184=2, 6950/2099=1 Peak 9463 from cnoeabs.peaks (0.61, 4.22, 58.98 ppm; 4.89 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9465 from cnoeabs.peaks (0.79, 3.34, 27.78 ppm; 5.20 A): 3 out of 5 assignments used, quality = 0.54: QD2 LEU 49 + HB2 HIS 67 OK 33 87 - 39 - 9460/3.8=26, 9470/4.0=13...(4) QG1 VAL 63 + HB2 HIS 67 OK 22 73 - 30 - 9406/4.0=13, 9468/1.8=10...(4) QD1 LEU 53 + HB2 HIS 67 OK 12 98 - 12 - 9460/3.8=5, 9470/4.0=4 QD2 LEU 122 - HB2 HIS 67 lone 4 96 - 4 - 9468/1.8=1 QD1 LEU 103 - HB2 HIS 67 lone 3 65 - 5 - 9411/2045=2, 9468/1.8=2 Peak 9466 from cnoeabs.peaks (0.63, 3.34, 27.78 ppm; 6.80 A): 0 out of 2 assignments used, low quality = 0.42: QD1 LEU 42 - HB2 HIS 67 OK 34 100 - 34 - 2.1/9095=12, 9091=10...(6) QD1 ILE 129 - HB2 HIS 67 OK 12 73 - 16 - ~9462=9, 1336/9095=2...(4) Peak 9468 from cnoeabs.peaks (0.78, 3.41, 27.78 ppm; 6.20 A): 0 out of 5 assignments used, low quality = 0.42: QG1 VAL 63 - HB3 HIS 67 OK 42 100 - 42 - 9406/4.0=28, 9411/2046=9 QD1 LEU 103 - HB3 HIS 67 lone 8 100 - 8 - 9411/2046=4, 9465/1.8=1 QD1 ILE 37 - HB3 HIS 67 lone 6 96 - 6 - 9411/2046=3 QD2 LEU 122 - HB3 HIS 67 lone 5 96 - 5 - 9465/1.8=1, 9411/2046=1 QD1 ILE 32 - HB3 HIS 67 lone 5 87 - 5 - 931/1183=1 Peak 9470 from cnoeabs.peaks (0.80, 7.15, 118.65 ppm; 3.90 A): 0 out of 4 assignments used, low quality = 0.13: QD2 LEU 49 - HD2 HIS 67 OK 13 99 - 13 - 9460/6.2=8, 9465/4.0=4 QD1 LEU 53 - HD2 HIS 67 lone 4 92 - 4 - 9460/6.2=2, 9465/4.0=1 QD2 LEU 119 - HD2 HIS 67 lone 2 99 - 2 - 9460/6.2=1 QD1 LEU 122 - HD2 HIS 67 lone 1 73 - 1 - Peak 9471 from cnoeabs.peaks (1.72, 7.15, 118.65 ppm; 6.80 A): 3 out of 4 assignments used, quality = 0.53: HB3 LEU 70 + HD2 HIS 67 OK 37 73 - 51 - 3.2/11098=33...(4) HD3 LYS 39 + HD2 HIS 67 OK 14 65 - 21 - 1205/4.0=8, 5.3/5503=8 HB2 LEU 43 + HD2 HIS 67 OK 12 92 - 14 - 10945/10044=11 HG LEU 48 - HD2 HIS 67 lone 2 65 - 4 - Peak 9472 from cnoeabs.peaks (0.60, 7.15, 118.65 ppm; 4.63 A): 1 out of 1 assignment used, quality = 0.45: QD1 LEU 100 + HD2 HIS 67 OK 45 92 - 49 - 10044=31, 10042/6.2=13...(6) Peak 9478 from cnoeabs.peaks (0.80, 2.23, 33.86 ppm; 5.53 A): 0 out of 4 assignments used, low quality = 0.34: QD2 LEU 119 - HG2 GLN 68 OK 21 100 - 20 - 10281/3.5=6, ~10282=4...(4) QD2 LEU 49 - HG2 GLN 68 OK 17 98 - 17 - 9553/11830=7, 5.0/2158=5 QD1 LEU 53 - HG2 GLN 68 lone 6 87 - 7 - 9553/11830=2 QD1 LEU 122 - HG2 GLN 68 lone 4 81 - 5 - 9474/5.1=2 Peak 9479 from cnoeabs.peaks (1.22, 2.23, 33.86 ppm; 4.95 A): 2 out of 2 assignments used, quality = 0.55: QG2 THR 65 + HG2 GLN 68 OK 39 65 - 60 - ~2066=20, 9443/3.0=17...(7) HG12 ILE 80 + HG2 GLN 68 OK 26 65 - 40 - 11041/1.8=40 Peak 9481 from cnoeabs.peaks (7.14, 2.23, 33.86 ppm; 5.05 A): 0 out of 1 assignment used, low quality = 0.19: HE22 GLN 134 - HG2 GLN 68 OK 19 96 - 20 - 7967/1.8=7, ~7959=5...(5) Peak 9482 from cnoeabs.peaks (7.15, 2.32, 33.86 ppm; 4.69 A): 1 out of 2 assignments used, quality = 0.58: QD TYR 72 + HG3 GLN 68 OK 58 99 - 58 - ~11830=32, ~11737=22, ~9550=20 HD2 HIS 67 - HG3 GLN 68 lone 1 99 - 1 - Peak 9484 from cnoeabs.peaks (0.29, 3.88, 58.34 ppm; 6.00 A): 1 out of 1 assignment used, quality = 0.61: QG2 VAL 93 + HA LEU 70 OK 61 98 - 62 - 10487/11116=15...(10) Peak 9485 from cnoeabs.peaks (0.28, 0.86, 25.01 ppm; 4.19 A): 0 out of 1 assignment used, low quality = 0.00: QG2 VAL 93 - QD2 LEU 70 lone 6 65 - 8 - ~11321=3, 9983/11355=2 Peak 9486 from cnoeabs.peaks (2.42, 0.86, 25.01 ppm; 3.44 A): 3 out of 5 assignments used, quality = 0.58: HG3 GLU 97 + QD2 LEU 70 OK 46 98 - 47 - 2.9/11109=20...(6) HG3 GLU 128 + QD2 LEU 70 OK 12 96 - 13 - 9489/2.1=4, 11630/4.9=3...(4) HG2 GLN 101 + QD2 LEU 70 OK 12 87 - 14 - ~11409=4, 9489/2.1=3...(4) HB3 PRO 58 - QD2 LEU 70 lone 2 87 - 2 - ~9327=2 HG3 GLN 61 - QD2 LEU 70 lone 1 96 - 1 - Peak 9487 from cnoeabs.peaks (0.61, 0.82, 25.52 ppm; 3.16 A): 0 out of 1 assignment used, low quality = 0.30: QD1 LEU 100 - QD1 LEU 70 OK 30 81 - 38 - 11115/2.1=25...(3) Peak 9488 from cnoeabs.peaks (1.40, 0.82, 25.52 ppm; 3.40 A): 1 out of 3 assignments used, quality = 0.61: HG LEU 96 + QD1 LEU 70 OK 61 99 - 61 - 3.0/11110=26...(9) QB ALA 16 - QD1 LEU 70 poor 10 92 - 11 - 11114/2.1=4...(4) HG3 LYS 31 - QD1 LEU 70 lone 3 65 - 5 - 11114/2.1=2, 3079/11110=1 Peak 9489 from cnoeabs.peaks (2.42, 0.82, 25.52 ppm; 3.66 A): 3 out of 3 assignments used, quality = 0.59: HG3 GLU 97 + QD1 LEU 70 OK 44 96 - 46 - 2.9/11111=24...(4) HG3 GLU 128 + QD1 LEU 70 OK 16 98 - 16 - 9486/2.1=4, 11630/4.3=4...(5) HG2 GLN 101 + QD1 LEU 70 OK 12 100 - 12 - 9486/2.1=4, 1.8/11409=3...(4) Peak 9490 from cnoeabs.peaks (2.76, 0.82, 25.52 ppm; 4.44 A): 0 out of 2 assignments used, low quality = 0.00: HB2 TYR 76 - QD1 LEU 70 lone 3 98 - 3 - 4.5/9636=1 HB3 ASN 13 - QD1 LEU 70 lone 2 65 - 4 - ~11108=2 Peak 9494 from cnoeabs.peaks (3.33, 2.16, 40.48 ppm; 6.80 A): 2 out of 3 assignments used, quality = 0.59: HB3 CYS 73 + HB3 LEU 69 OK 37 65 - 56 - 11073/3.2=41, ~11071=10...(4) HB3 TYR 72 + HB3 LEU 69 OK 36 57 - 63 - ~11054=28, ~11080=19...(5) HB3 PHE 89 - HB3 LEU 69 lone 9 98 - 9 - 11073/3.2=4, 4.7/2193=1 Peak 9495 from cnoeabs.peaks (3.28, 0.86, 25.01 ppm; 4.31 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9496 from cnoeabs.peaks (2.23, 0.86, 25.01 ppm; 3.31 A): 1 out of 6 assignments used, quality = 0.55: HB3 LEU 96 + QD2 LEU 70 OK 55 99 - 56 - 11110/2.1=20...(7) HB3 GLU 128 - QD2 LEU 70 poor 7 65 - 10 - 3.0/9486=4, ~9489=3, ~10443=3 HB3 GLU 102 - QD2 LEU 70 lone 4 92 - 4 - HG2 GLN 68 - QD2 LEU 70 lone 2 98 - 2 - HG2 GLU 91 - QD2 LEU 70 lone 2 81 - 2 - HB3 GLN 127 - QD2 LEU 70 lone 1 73 - 1 - Peak 9497 from cnoeabs.peaks (3.33, 0.82, 25.52 ppm; 5.45 A): 0 out of 2 assignments used, low quality = 0.27: HB3 CYS 73 - QD1 LEU 70 OK 27 92 - 29 - 2233/3.8=27 HB3 PHE 89 - QD1 LEU 70 poor 9 81 - 11 - 3.5/9868=3, 2.7/9882=2...(5) Peak 9498 from cnoeabs.peaks (3.22, 0.82, 25.52 ppm; 5.14 A): 0 out of 1 assignment used, low quality = 0.00: HB2 PHE 87 - QD1 LEU 70 lone 5 57 - 8 - 4.0/9831=6 Peak 9504 from cnoeabs.peaks (8.34, 7.15, 131.84 ppm; 6.72 A): 0 out of 2 assignments used, low quality = 0.27: H GLU 44 - QD TYR 72 OK 27 87 - 32 - ~9142=30 H LYS 86 - QD TYR 72 lone 8 100 - 8 - ~2623=5 Peak 9509 from cnoeabs.peaks (1.72, 4.42, 57.33 ppm; 6.43 A): 3 out of 6 assignments used, quality = 0.95: HB3 LEU 70 + HA ASP 71 OK 81 92 - 88 - 6962/2.8=19, ~2259=19...(13) HB2 LEU 70 + HA ASP 71 OK 64 73 - 88 - ~6962=19, ~2259=19...(13) HB2 LEU 43 + HA ASP 71 OK 24 73 - 33 - ~9121=31 HD3 LYS 39 - HA ASP 71 lone 6 87 - 7 - 2226/4.9=3, 6962/2.8=2 HG LEU 48 - HA ASP 71 lone 4 87 - 5 - 2226/4.9=1 HG2 ARG 135 - HA ASP 71 lone 4 65 - 5 - 2226/4.9=2, 6962/2.8=1 Peak 9511 from cnoeabs.peaks (0.81, 2.81, 39.26 ppm; 6.80 A): 2 out of 3 assignments used, quality = 0.55: QD1 LEU 70 + HB3 ASP 71 OK 42 73 - 57 - 9523/4.6=22, 6964/4.0=15...(5) QG2 ILE 80 + HB3 ASP 71 OK 22 98 - 22 - 9523/4.6=7, 11172=7, 6964/4.0=6 QD1 LEU 122 - HB3 ASP 71 lone 4 96 - 4 - Peak 9513 from cnoeabs.peaks (1.49, 3.34, 37.59 ppm; 6.55 A): 2 out of 2 assignments used, quality = 0.87: HB2 LEU 49 + HB3 TYR 72 OK 70 98 - 71 - 9520/3.8=42, 9516/1.8=25...(4) HG LEU 42 + HB3 TYR 72 OK 57 73 - 78 - 2.1/9515=48, ~9519=35 Peak 9514 from cnoeabs.peaks (1.00, 3.34, 37.59 ppm; 6.41 A): 0 out of 1 assignment used, low quality = 0.00: QG2 VAL 105 - HB3 TYR 72 lone 7 92 - 7 - 9563/4.4=4 Peak 9515 from cnoeabs.peaks (0.63, 3.34, 37.59 ppm; 5.58 A): 1 out of 1 assignment used, quality = 0.45: QD1 LEU 42 + HB3 TYR 72 OK 45 65 - 69 - 2.1/9095=27, 9519/1.8=19...(6) Peak 9516 from cnoeabs.peaks (1.50, 3.02, 37.59 ppm; 5.85 A): 1 out of 1 assignment used, quality = 0.57: HB2 LEU 49 + HB2 TYR 72 OK 57 92 - 62 - 9520/3.8=36, 3.2/9517=19...(4) Peak 9517 from cnoeabs.peaks (0.92, 3.02, 37.59 ppm; 5.75 A): 3 out of 7 assignments used, quality = 0.68: QD1 LEU 49 + HB2 TYR 72 OK 51 96 - 54 - 3.2/9516=34, 2.1/9518=18 QG2 VAL 63 + HB2 TYR 72 OK 20 87 - 23 - ~9406=15, 2.1/9518=7 QD1 LEU 62 + HB2 TYR 72 OK 16 98 - 17 - ~11007=10, 1553/9516=2 QD2 LEU 48 - HB2 TYR 72 lone 4 73 - 6 - 1553/9516=3, 1578/9518=1 QG1 VAL 20 - HB2 TYR 72 lone 2 65 - 4 - 1553/9516=1 QG2 VAL 112 - HB2 TYR 72 lone 2 81 - 2 - QD1 LEU 48 - HB2 TYR 72 lone 2 81 - 2 - Peak 9518 from cnoeabs.peaks (0.79, 3.02, 37.59 ppm; 6.65 A): 3 out of 5 assignments used, quality = 0.76: QD2 LEU 49 + HB2 TYR 72 OK 63 87 - 73 - 3.2/9516=42, 2.1/9517=25...(6) QG1 VAL 63 + HB2 TYR 72 OK 23 73 - 31 - 9406/2.7=11, 2.1/9517=10...(5) QD1 LEU 53 + HB2 TYR 72 OK 15 98 - 15 - 9553/4.5=7, 1552/9516=3 QD2 LEU 122 - HB2 TYR 72 lone 5 96 - 5 - 9553/4.5=2 QD1 LEU 103 - HB2 TYR 72 lone 2 65 - 3 - Peak 9519 from cnoeabs.peaks (0.63, 3.02, 37.59 ppm; 5.30 A): 2 out of 2 assignments used, quality = 0.76: QD1 LEU 42 + HB2 TYR 72 OK 73 100 - 73 - 9091/1.8=33, 9104/4.4=25...(6) QD1 ILE 129 + HB2 TYR 72 OK 13 73 - 17 - 9524/3.8=9, 9565/4.4=8 Peak 9529 from cnoeabs.peaks (4.37, 3.02, 37.59 ppm; 5.98 A): 0 out of 2 assignments used, low quality = 0.00: HA PRO 113 - HB2 TYR 72 lone 2 100 - 2 - HA PRO 117 - HB2 TYR 72 lone 2 92 - 2 - Peak 9530 from cnoeabs.peaks (4.35, 3.34, 37.59 ppm; 6.80 A): 0 out of 3 assignments used, low quality = 0.00: HA ASP 47 - HB3 TYR 72 lone 6 87 - 7 - 9100/9095=2, 9540/4.5=2 HA GLN 134 - HB3 TYR 72 lone 4 96 - 5 - 9102/9515=2 HA CYS 125 - HB3 TYR 72 lone 3 87 - 4 - 9102/9515=1 Peak 9531 from cnoeabs.peaks (4.34, 7.15, 131.84 ppm; 6.80 A): 4 out of 5 assignments used, quality = 0.83: HA LEU 69 + QD TYR 72 OK 67 87 - 78 - 6973/4.5=33, 2178/2.7=19...(9) HA ASN 59 + QD TYR 72 OK 26 98 - 26 - 9540/2.2=7, 2303/2.7=6...(5) HA LYS 24 + QD TYR 72 OK 18 99 - 18 - 9540/2.2=5, 2311/2.7=4...(5) HA PRO 81 + QD TYR 72 OK 15 100 - 15 - 9540/2.2=5, 2311/2.7=3...(4) HA ASP 47 - QD TYR 72 poor 9 87 - 10 - 9540/2.2=5, 9530/2.7=3 Peak 9532 from cnoeabs.peaks (7.70, 6.81, 118.26 ppm; 5.47 A): 0 out of 1 assignment used, low quality = 0.20: H LYS 95 - QE TYR 72 OK 20 92 - 22 - 3.4/9533=13, 11082/11081=8 Peak 9533 from cnoeabs.peaks (7.99, 6.81, 118.26 ppm; 6.23 A): 3 out of 4 assignments used, quality = 0.66: H SER 94 + QE TYR 72 OK 45 96 - 47 - 3.4/9532=40, 11917/9021=8 H SER 38 + QE TYR 72 OK 30 87 - 35 - 4.2/9021=29, 1119/9025=5 H SER 51 + QE TYR 72 OK 11 96 - 11 - 1095/9021=3, 1119/9025=3 H LYS 36 - QE TYR 72 poor 8 73 - 10 - 10891/9021=5...(3) Peak 9534 from cnoeabs.peaks (8.31, 6.81, 118.26 ppm; 5.46 A): 1 out of 3 assignments used, quality = 0.62: H TYR 72 + QE TYR 72 OK 62 81 - 77 - 6.5=60, 6983/2.2=25...(5) H GLY 17 - QE TYR 72 lone 8 92 - 9 - 2296/5.2=3, 2312/4.5=3 H ALA 21 - QE TYR 72 lone 2 81 - 3 - 9061/9063=1 Peak 9536 from cnoeabs.peaks (8.34, 4.38, 64.37 ppm; 4.92 A): 0 out of 3 assignments used, low quality = 0.14: H LYS 86 - HA CYS 73 OK 14 100 - 14 - ~2622=5, ~6989=4...(4) H GLU 44 - HA CYS 73 lone 1 81 - 2 - H LYS 19 - HA CYS 73 lone 1 65 - 1 - Peak 9538 from cnoeabs.peaks (7.31, 4.38, 64.37 ppm; 4.20 A): 0 out of 3 assignments used, low quality = 0.36: HZ PHE 89 - HA CYS 73 OK 28 87 - 32 - 2.2/11124=29, 5.8/2322=4 H ARG 135 - HA CYS 73 OK 12 100 - 12 - 10556/11122=4...(4) QD PHE 87 - HA CYS 73 lone 5 87 - 6 - 11816/3.0=3, 11139/11789=1 Peak 9539 from cnoeabs.peaks (7.80, 4.38, 64.37 ppm; 5.53 A): 0 out of 1 assignment used, low quality = 0.11: HD22 ASN 59 - HA CYS 73 OK 11 73 - 14 - 9922/9571=12, 7014/3.6=1 Peak 9540 from cnoeabs.peaks (4.34, 6.81, 118.26 ppm; 6.80 A): 5 out of 5 assignments used, quality = 0.66: HA LEU 69 + QE TYR 72 OK 42 65 - 64 - 3.9/11081=30...(6) HA ASN 59 + QE TYR 72 OK 16 87 - 18 - 9531/2.2=7, 6973/6.5=3...(4) HA LYS 24 + QE TYR 72 OK 12 92 - 13 - 9531/2.2=5, 2311/4.5=2...(4) HA ASP 47 + QE TYR 72 OK 11 98 - 12 - 9530/4.5=6, 9531/2.2=3 HA PRO 81 + QE TYR 72 OK 11 98 - 11 - 9531/2.2=4, 2311/4.5=1...(4) Peak 9541 from cnoeabs.peaks (4.56, 6.81, 118.26 ppm; 5.64 A): 1 out of 1 assignment used, quality = 0.73: HA TYR 72 + QE TYR 72 OK 73 73 - 100 - 5.2=100 Peak 9547 from cnoeabs.peaks (3.12, 6.81, 118.26 ppm; 4.33 A): 0 out of 1 assignment used, low quality = 0.00: HB2 HIS 7 - QE TYR 72 lone 4 92 - 4 - 9011/9021=3 Peak 9548 from cnoeabs.peaks (2.94, 6.81, 118.26 ppm; 4.58 A): 1 out of 5 assignments used, quality = 0.61: HB2 CYS 45 + QE TYR 72 OK 61 99 - 62 - 1.8/9146=35, 3.5/9142=19...(6) HD2 ARG 135 - QE TYR 72 lone 8 99 - 8 - 1448/9146=3, 6544/9142=2 HG CYS 73 - QE TYR 72 lone 8 96 - 8 - 11831/6.5=4, 11071/11081=2 HB3 ASN 116 - QE TYR 72 lone 2 81 - 3 - HE2 LYS 39 - QE TYR 72 lone 1 65 - 1 - Peak 9549 from cnoeabs.peaks (2.30, 6.81, 118.26 ppm; 5.08 A): 0 out of 1 assignment used, low quality = 0.00: HB3 GLN 101 - QE TYR 72 lone 2 100 - 2 - Peak 9550 from cnoeabs.peaks (2.19, 6.81, 118.26 ppm; 4.33 A): 0 out of 3 assignments used, low quality = 0.40: HB3 GLN 68 - QE TYR 72 OK 40 65 - 61 - 3.0/11830=34...(4) HB2 GLN 104 - QE TYR 72 lone 4 99 - 4 - 11434/9552=2 HB VAL 133 - QE TYR 72 lone 1 98 - 1 - Peak 9551 from cnoeabs.peaks (1.17, 6.81, 118.26 ppm; 4.14 A): 1 out of 3 assignments used, quality = 0.54: QB ALA 41 + QE TYR 72 OK 54 100 - 54 - 9063=47, 10933/9367=4...(5) QG2 THR 18 - QE TYR 72 lone 2 100 - 2 - HG12 ILE 32 - QE TYR 72 lone 1 65 - 2 - Peak 9552 from cnoeabs.peaks (0.95, 6.81, 118.26 ppm; 5.08 A): 0 out of 3 assignments used, low quality = 0.00: QG1 VAL 57 - QE TYR 72 lone 2 98 - 2 - QG1 VAL 105 - QE TYR 72 lone 2 73 - 2 - QG1 VAL 126 - QE TYR 72 lone 2 92 - 2 - Peak 9553 from cnoeabs.peaks (0.79, 6.81, 118.26 ppm; 5.19 A): 0 out of 4 assignments used, low quality = 0.16: QD2 LEU 49 - QE TYR 72 OK 16 99 - 16 - 9518/4.5=10, 9478/11830=4 QD2 LEU 119 - QE TYR 72 lone 8 87 - 9 - 9478/11830=5...(3) QD1 LEU 53 - QE TYR 72 lone 6 100 - 6 - 9518/4.5=2, 9478/11830=1 QD2 LEU 122 - QE TYR 72 lone 2 73 - 2 - Peak 9558 from cnoeabs.peaks (2.94, 2.75, 27.55 ppm; 5.57 A): 1 out of 6 assignments used, quality = 0.99: * HG CYS 73 + HB2 CYS 73 OK 99 99 - 100 - 3.4=100 HD2 ARG 135 - HB2 CYS 73 OK 25 96 - 26 - 6.2/11816=8, 9555/3.8=4...(9) HB2 CYS 45 - HB2 CYS 73 OK 19 73 - 26 - 9555/3.8=12, 9557/4.4=6...(5) HE2 LYS 39 - HB2 CYS 73 OK 12 98 - 13 - 9958/9573=2...(5) HE3 LYS 39 - HB2 CYS 73 lone 8 81 - 9 - 11105/2232=2...(4) HB3 ASN 116 - HB2 CYS 73 lone 7 100 - 7 - 9555/3.8=1, 9557/4.4=1 Peak 9559 from cnoeabs.peaks (2.94, 4.38, 64.37 ppm; 4.89 A): 1 out of 5 assignments used, quality = 0.98: HG CYS 73 + HA CYS 73 OK 98 98 - 100 - 4.6=100 HB2 CYS 45 - HA CYS 73 OK 22 98 - 23 - 9555/2.9=13, 9557/3.6=7 HD2 ARG 135 - HA CYS 73 OK 18 100 - 18 - 6.2/9538=5, 9555/2.9=5...(4) HE2 LYS 39 - HA CYS 73 lone 6 73 - 8 - 9555/2.9=2, 9558/3.0=2 HB3 ASN 116 - HA CYS 73 lone 5 87 - 5 - 9555/2.9=1, 9557/3.6=1 Peak 9569 from cnoeabs.peaks (0.77, 4.38, 64.37 ppm; 5.63 A): 2 out of 3 assignments used, quality = 0.82: QD1 LEU 96 + HA CYS 73 OK 71 100 - 71 - 9564/2.9=34, 9986/3.0=24...(5) QD1 ILE 32 + HA CYS 73 OK 38 87 - 43 - 9575/3.6=15...(6) QD1 ILE 37 - HA CYS 73 poor 8 73 - 11 - 9575/3.6=5, 9579/3.0=3 Peak 9570 from cnoeabs.peaks (0.62, 4.38, 64.37 ppm; 4.10 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9571 from cnoeabs.peaks (0.28, 4.38, 64.37 ppm; 5.14 A): 1 out of 1 assignment used, quality = 0.74: QG2 VAL 93 + HA CYS 73 OK 74 92 - 80 - 9573/3.0=34, 9576/3.6=30...(8) Peak 9572 from cnoeabs.peaks (0.77, 2.75, 27.55 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.80: QD1 LEU 96 + HB2 CYS 73 OK 80 92 - 87 - 9564/3.8=44, 9579/1.8=30...(7) Peak 9573 from cnoeabs.peaks (0.28, 2.75, 27.55 ppm; 5.17 A): 1 out of 1 assignment used, quality = 0.80: QG2 VAL 93 + HB2 CYS 73 OK 80 92 - 87 - 9571/3.0=34, 2.1/9961=33...(12) Peak 9578 from cnoeabs.peaks (2.92, 3.32, 27.55 ppm; 5.88 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9579 from cnoeabs.peaks (0.77, 3.32, 27.55 ppm; 5.70 A): 2 out of 3 assignments used, quality = 0.82: QD1 LEU 96 + HB3 CYS 73 OK 75 100 - 75 - 9564/3.8=31, 9986/1.8=27...(6) QD1 ILE 32 + HB3 CYS 73 OK 28 87 - 33 - 9575/4.4=13, 9569/3.0=12...(4) QD1 ILE 37 - HB3 CYS 73 poor 9 73 - 12 - 9575/4.4=4...(3) Peak 9580 from cnoeabs.peaks (0.63, 3.32, 27.55 ppm; 6.51 A): 2 out of 2 assignments used, quality = 0.75: QD1 LEU 42 + HB3 CYS 73 OK 68 100 - 68 - 9104/3.8=40, 9094/1.8=24...(6) QD1 ILE 129 + HB3 CYS 73 OK 23 73 - 31 - 10487/9581=12...(3) Peak 9581 from cnoeabs.peaks (0.29, 3.32, 27.55 ppm; 5.55 A): 1 out of 1 assignment used, quality = 0.64: QG2 VAL 93 + HB3 CYS 73 OK 64 81 - 79 - 9566/3.8=31, ~9961=29...(11) Peak 9590 from cnoeabs.peaks (0.78, 4.29, 61.42 ppm; 4.85 A): 5 out of 5 assignments used, quality = 0.80: QD1 ILE 32 + HA SER 74 OK 42 100 - 42 - 9575/2.9=12...(7) QD1 LEU 96 + HA SER 74 OK 32 92 - 35 - 9575/2.9=16, 9595/3.6=9...(7) QD1 ILE 37 + HA SER 74 OK 22 99 - 22 - 9595/3.6=5, 9575/2.9=4...(7) QD1 LEU 103 + HA SER 74 OK 21 92 - 23 - 11427/3.6=8, 9604/4.9=6...(5) QG1 VAL 63 + HA SER 74 OK 17 87 - 19 - 11020/3.0=7, 11020/3.0=6 Peak 9591 from cnoeabs.peaks (0.28, 4.29, 61.42 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.50: QG2 VAL 93 + HA SER 74 OK 50 96 - 52 - 9576/2.9=47, 9648/11154=7 Peak 9592 from cnoeabs.peaks (1.03, 4.29, 61.42 ppm; 6.07 A): 0 out of 1 assignment used, low quality = 0.34: QG2 VAL 133 - HA SER 74 OK 34 65 - 52 - ~11123=33, 9577/2.9=27 Peak 9602 from cnoeabs.peaks (1.59, 4.32, 45.60 ppm; 6.44 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9603 from cnoeabs.peaks (1.06, 4.32, 45.60 ppm; 6.12 A): 1 out of 1 assignment used, quality = 0.73: QG1 VAL 77 + HA2 GLY 75 OK 73 98 - 74 - 9611/3.5=42...(6) Peak 9604 from cnoeabs.peaks (0.78, 4.32, 45.60 ppm; 5.02 A): 4 out of 5 assignments used, quality = 0.90: QD1 ILE 32 + HA2 GLY 75 OK 69 100 - 69 - 10846/4.9=26...(7) QD1 LEU 103 + HA2 GLY 75 OK 45 92 - 49 - 11710/4.9=16...(7) QD1 ILE 37 + HA2 GLY 75 OK 26 99 - 26 - 3.0/10919=8, 9595/2.9=6...(5) QD1 LEU 96 + HA2 GLY 75 OK 22 92 - 24 - 9595/2.9=11, 9608/1.8=7 QG1 VAL 63 - HA2 GLY 75 lone 6 87 - 7 - 9590/4.9=3, 9610/3.5=1 Peak 9606 from cnoeabs.peaks (1.14, 3.90, 45.60 ppm; 5.62 A): 0 out of 5 assignments used, low quality = 0.32: HB3 LEU 62 - HA3 GLY 75 OK 32 81 - 39 - ~9387=26, ~10999=17 QG2 THR 115 - HA3 GLY 75 lone 2 98 - 3 - HG2 LYS 39 - HA3 GLY 75 lone 2 98 - 2 - QG2 VAL 132 - HA3 GLY 75 lone 2 100 - 2 - QG1 VAL 132 - HA3 GLY 75 lone 1 81 - 2 - Peak 9608 from cnoeabs.peaks (0.77, 3.90, 45.60 ppm; 4.71 A): 4 out of 4 assignments used, quality = 0.77: QD1 ILE 32 + HA3 GLY 75 OK 54 96 - 57 - 10846/4.9=21...(6) QD1 LEU 103 + HA3 GLY 75 OK 22 65 - 34 - ~10350=9, 9604/1.8=9...(6) QD1 LEU 96 + HA3 GLY 75 OK 21 100 - 21 - 9595/2.9=12, 9590/4.9=5 QD1 ILE 37 + HA3 GLY 75 OK 18 87 - 20 - 9595/2.9=7, ~10919=5...(4) Peak 9615 from cnoeabs.peaks (0.63, 4.31, 59.97 ppm; 5.18 A): 1 out of 1 assignment used, quality = 0.54: QD1 LEU 42 + HA TYR 76 OK 54 96 - 56 - 9635/3.0=25, 9609/3.0=19...(9) Peak 9616 from cnoeabs.peaks (1.18, 4.31, 59.97 ppm; 6.67 A): 1 out of 2 assignments used, quality = 0.96: QG2 VAL 77 + HA TYR 76 OK 96 100 - 96 - 11144/3.1=46...(8) QG2 THR 25 - HA TYR 76 OK 12 87 - 14 - 7044/3.6=7, 9630/4.7=3 Peak 9617 from cnoeabs.peaks (0.64, 2.76, 40.72 ppm; 5.36 A): 2 out of 2 assignments used, quality = 0.47: QD1 LEU 42 + HB2 TYR 76 OK 33 73 - 45 - 9635/1.8=23, 9609/3.8=22 QD1 ILE 129 + HB2 TYR 76 OK 21 100 - 21 - 9609/3.8=13, 9635/1.8=6 Peak 9619 from cnoeabs.peaks (2.31, 2.76, 40.72 ppm; 6.22 A): 0 out of 1 assignment used, low quality = 0.21: HG2 GLU 40 - HB2 TYR 76 OK 21 96 - 22 - 9009/10846=20 Peak 9625 from cnoeabs.peaks (3.40, 6.47, 116.95 ppm; 6.32 A): 1 out of 2 assignments used, quality = 0.63: HA LYS 39 + QE TYR 76 OK 63 96 - 66 - 9036=39, 10578/9632=17...(5) HB3 HIS 67 - QE TYR 76 lone 6 87 - 7 - 6436/9035=2, 1161/9628=2 Peak 9627 from cnoeabs.peaks (2.74, 6.47, 116.95 ppm; 6.80 A): 2 out of 5 assignments used, quality = 0.46: HB2 CYS 73 + QE TYR 76 OK 35 92 - 38 - ~11126=34, 9094/9634=4 HB3 ASP 78 + QE TYR 76 OK 17 92 - 19 - 2420/6.5=9, 11160/9630=7 HB2 CYS 125 - QE TYR 76 lone 7 81 - 8 - 10383/9634=4, 3989/6.5=2 HB3 ASP 35 - QE TYR 76 lone 2 81 - 3 - HB2 ASP 64 - QE TYR 76 lone 2 73 - 3 - Peak 9628 from cnoeabs.peaks (2.08, 6.47, 116.95 ppm; 6.80 A): 3 out of 7 assignments used, quality = 0.77: HB3 LYS 39 + QE TYR 76 OK 53 98 - 54 - 3.0/9036=41, 3.9/9035=16 HG3 GLN 134 + QE TYR 76 OK 36 100 - 36 - 10599/9631=17...(4) HB2 GLU 128 + QE TYR 76 OK 25 100 - 25 - 11623/9632=20, 1138/9036=3 HB3 GLU 44 - QE TYR 76 lone 5 96 - 6 - 1138/9036=2 HB2 GLU 102 - QE TYR 76 lone 5 100 - 5 - 1138/9036=1 HG3 PRO 58 - QE TYR 76 lone 2 57 - 4 - HB VAL 57 - QE TYR 76 lone 2 73 - 3 - Peak 9629 from cnoeabs.peaks (1.75, 6.47, 116.95 ppm; 6.00 A): 0 out of 6 assignments used, low quality = 0.11: HG13 ILE 129 - QE TYR 76 OK 11 87 - 12 - 4155/9745=3, 4159/6.5=2...(5) HB2 LYS 24 - QE TYR 76 lone 5 98 - 5 - 11672/9632=3 HB2 ARG 23 - QE TYR 76 lone 4 92 - 4 - 1137/9036=1 HB2 LYS 31 - QE TYR 76 lone 4 81 - 5 - 11672/9632=2 HB2 LYS 26 - QE TYR 76 lone 3 100 - 3 - HB2 LYS 19 - QE TYR 76 lone 2 100 - 2 - Peak 9630 from cnoeabs.peaks (1.18, 6.47, 116.95 ppm; 5.66 A): 1 out of 2 assignments used, quality = 0.81: QG2 VAL 77 + QE TYR 76 OK 81 100 - 81 - 11144/2.2=42...(6) QG2 THR 25 - QE TYR 76 lone 7 87 - 9 - 7044/7040=3, 9616/4.7=3 Peak 9631 from cnoeabs.peaks (1.04, 6.47, 116.95 ppm; 4.89 A): 1 out of 1 assignment used, quality = 0.79: QG2 VAL 133 + QE TYR 76 OK 79 98 - 80 - 2.1/9632=41...(8) Peak 9632 from cnoeabs.peaks (0.83, 6.47, 116.95 ppm; 4.14 A): 1 out of 2 assignments used, quality = 0.49: QG1 VAL 133 + QE TYR 76 OK 49 100 - 49 - 2.1/9631=27...(5) QD2 LEU 22 - QE TYR 76 lone 5 87 - 6 - 4235/10559=3, 4254/9631=2 Peak 9633 from cnoeabs.peaks (0.25, 6.47, 116.95 ppm; 4.56 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9634 from cnoeabs.peaks (0.63, 6.47, 116.95 ppm; 6.80 A): 0 out of 1 assignment used, low quality = 0.39: QD1 LEU 42 - QE TYR 76 OK 39 73 - 53 - 9615/4.7=36, 9635/4.5=14...(4) Peak 9635 from cnoeabs.peaks (0.64, 3.13, 40.72 ppm; 4.76 A): 2 out of 2 assignments used, quality = 0.72: QD1 LEU 42 + HB3 TYR 76 OK 66 100 - 66 - 9092=26, 9615/3.0=24...(8) QD1 ILE 129 + HB3 TYR 76 OK 17 87 - 20 - 9609/3.8=11, 9617/1.8=8 Peak 9643 from cnoeabs.peaks (0.27, 3.45, 65.53 ppm; 3.74 A): 1 out of 1 assignment used, quality = 0.81: QD1 ILE 80 + HA VAL 77 OK 81 98 - 83 - 9649/3.2=29, 9719/3.2=24...(16) Peak 9644 from cnoeabs.peaks (1.43, 3.45, 65.53 ppm; 6.00 A): 3 out of 3 assignments used, quality = 0.77: HG2 LYS 86 + HA VAL 77 OK 54 73 - 74 - 11742/3.2=27...(8) QB ALA 92 + HA VAL 77 OK 33 100 - 33 - 2897/9684=9, 9720/9643=8...(6) HG2 LYS 26 + HA VAL 77 OK 25 96 - 26 - ~10749=12, 3.0/9645=5...(5) Peak 9645 from cnoeabs.peaks (1.74, 3.45, 65.53 ppm; 4.83 A): 3 out of 6 assignments used, quality = 0.86: HB ILE 80 + HA VAL 77 OK 80 92 - 87 - 3.2/9643=40, 3.9/9712=24...(11) HG13 ILE 129 + HA VAL 77 OK 19 99 - 19 - ~9662=6, 2473/9643=4...(6) HB2 LYS 26 + HA VAL 77 OK 14 73 - 20 - ~10749=11, 3.0/9644=5...(4) HB2 LYS 31 - HA VAL 77 lone 4 100 - 3 - HB2 LYS 24 - HA VAL 77 lone 3 92 - 3 - ~10749=2 HB2 LYS 19 - HA VAL 77 lone 2 73 - 3 - ~11763=2 Peak 9646 from cnoeabs.peaks (0.80, 2.33, 31.62 ppm; 5.10 A): 3 out of 4 assignments used, quality = 0.74: QG2 ILE 80 + HB VAL 77 OK 51 57 - 90 - 3.1/9647=36, ~9649=30...(11) QD2 LEU 49 + HB VAL 77 OK 39 81 - 48 - ~11743=29, ~11741=26 QD2 LEU 119 + HB VAL 77 OK 12 98 - 12 - 3789/3.9=6, 4.6/2388=5 QD1 LEU 122 - HB VAL 77 lone 7 98 - 7 - 9636/3.9=2, 9690/4.5=1 Peak 9647 from cnoeabs.peaks (0.28, 2.33, 31.62 ppm; 4.72 A): 1 out of 1 assignment used, quality = 0.58: QD1 ILE 80 + HB VAL 77 OK 58 73 - 78 - 9719/2.1=25, 9637/3.9=20...(11) Peak 9648 from cnoeabs.peaks (0.28, 1.06, 19.25 ppm; 4.81 A): 0 out of 1 assignment used, low quality = 0.20: QG2 VAL 93 - QG1 VAL 77 OK 20 73 - 27 - 9699/9697=9, 9573/9654=8...(6) Peak 9649 from cnoeabs.peaks (0.27, 1.18, 22.07 ppm; 3.52 A): 1 out of 1 assignment used, quality = 0.74: QD1 ILE 80 + QG2 VAL 77 OK 74 98 - 75 - 9719/2.1=27, 9643/3.2=24...(17) Peak 9650 from cnoeabs.peaks (1.42, 1.06, 19.25 ppm; 3.88 A): 2 out of 4 assignments used, quality = 0.68: HG2 LYS 86 + QG1 VAL 77 OK 61 98 - 63 - 11742/2.1=29, ~9823=12...(10) QB ALA 92 + QG1 VAL 77 OK 19 87 - 21 - 9952/10479=7...(5) HG2 LYS 26 - QG1 VAL 77 poor 10 65 - 15 - ~10749=6, 9644/3.2=2...(6) QB ALA 34 - QG1 VAL 77 lone 8 92 - 8 - 11742/2.1=5, 9970/9648=1 Peak 9651 from cnoeabs.peaks (1.72, 1.06, 19.25 ppm; 3.96 A): 0 out of 3 assignments used, low quality = 0.45: HG3 ARG 90 - QG1 VAL 77 OK 45 65 - 68 - 4.0/11842=23...(8) HB2 LEU 43 - QG1 VAL 77 lone 9 96 - 9 - 11840/11842=2...(4) HB3 LEU 70 - QG1 VAL 77 lone 2 65 - 3 - ~11157=1 Peak 9652 from cnoeabs.peaks (2.01, 1.06, 19.25 ppm; 4.16 A): 4 out of 9 assignments used, quality = 0.86: HG2 ARG 90 + QG1 VAL 77 OK 61 73 - 84 - 1.8/9651=33...(9) HB2 GLN 134 + QG1 VAL 77 OK 34 87 - 39 - 2.9/10595=17, 1.8/2396=6...(9) HB3 GLU 30 + QG1 VAL 77 OK 30 92 - 33 - 9662/2.1=12, 772/2.1=4...(9) HB2 GLU 44 + QG1 VAL 77 OK 23 65 - 36 - ~9141=8, 3.0/9653=7...(10) HB3 PRO 117 - QG1 VAL 77 lone 7 87 - 9 - 2.3/11155=4, 9662/2.1=4 HG2 PRO 56 - QG1 VAL 77 lone 3 81 - 3 - 9662/2.1=1 HG3 PRO 56 - QG1 VAL 77 lone 3 81 - 3 - 9662/2.1=1 HB VAL 63 - QG1 VAL 77 lone 2 81 - 2 - HB3 MET 11 - QG1 VAL 77 lone 1 73 - 2 - Peak 9653 from cnoeabs.peaks (2.52, 1.06, 19.25 ppm; 4.52 A): 2 out of 4 assignments used, quality = 0.72: HB2 ASP 78 + QG1 VAL 77 OK 64 73 - 87 - 4.1/7052=36...(10) HG3 GLU 44 + QG1 VAL 77 OK 22 57 - 38 - 1.8/2396=8, 9141/2.1=6...(10) HG3 MET 11 - QG1 VAL 77 lone 1 98 - 1 - HG3 GLU 102 - QG1 VAL 77 lone 1 96 - 1 - Peak 9654 from cnoeabs.peaks (2.75, 1.06, 19.25 ppm; 4.49 A): 0 out of 3 assignments used, low quality = 0.14: HB2 CYS 73 - QG1 VAL 77 OK 14 100 - 14 - 9573/9648=9, ~9660=4 HB3 ASP 35 - QG1 VAL 77 lone 3 99 - 3 - HB2 ASP 64 - QG1 VAL 77 lone 2 98 - 2 - Peak 9656 from cnoeabs.peaks (3.17, 1.06, 19.25 ppm; 4.15 A): 2 out of 6 assignments used, quality = 0.99: HD2 ARG 90 + QG1 VAL 77 OK 90 99 - 91 - 2.9/11842=32...(13) HD3 ARG 90 + QG1 VAL 77 OK 87 96 - 91 - 2.9/11842=32...(13) HD3 ARG 23 - QG1 VAL 77 lone 3 92 - 4 - HD2 ARG 23 - QG1 VAL 77 lone 3 92 - 4 - HB2 HIS 10 - QG1 VAL 77 lone 2 100 - 2 - HB3 HIS 6 - QG1 VAL 77 lone 1 73 - 1 - Peak 9659 from cnoeabs.peaks (3.17, 1.18, 22.07 ppm; 3.78 A): 2 out of 6 assignments used, quality = 0.98: HD2 ARG 90 + QG2 VAL 77 OK 87 99 - 87 - 2.9/9676=30...(12) HD3 ARG 90 + QG2 VAL 77 OK 83 96 - 87 - 2.9/9676=30...(12) HD3 ARG 23 - QG2 VAL 77 lone 3 92 - 3 - HD2 ARG 23 - QG2 VAL 77 lone 3 92 - 3 - HB2 HIS 10 - QG2 VAL 77 lone 1 100 - 1 - HB3 HIS 6 - QG2 VAL 77 lone 1 73 - 1 - Peak 9660 from cnoeabs.peaks (2.94, 1.18, 22.07 ppm; 4.86 A): 0 out of 3 assignments used, low quality = 0.42: HD2 ARG 135 - QG2 VAL 77 OK 34 87 - 39 - ~9674=25, 2.9/9677=10...(4) HG CYS 73 - QG2 VAL 77 OK 12 73 - 17 - ~9654=16 HB2 CYS 45 - QG2 VAL 77 lone 4 99 - 4 - ~6541=3 Peak 9662 from cnoeabs.peaks (2.01, 1.18, 22.07 ppm; 3.60 A): 0 out of 7 assignments used, low quality = 0.22: HB3 GLU 30 - QG2 VAL 77 OK 13 65 - 19 - 9652/2.1=5, 3.0/2402=4...(8) HB ILE 129 - QG2 VAL 77 OK 11 73 - 14 - ~10479=13, ~9645=1 HB VAL 20 - QG2 VAL 77 poor 9 65 - 14 - 4.0/9678=13 HB3 PRO 117 - QG2 VAL 77 lone 4 99 - 4 - ~11155=2, 9652/2.1=1 HG3 PRO 56 - QG2 VAL 77 lone 1 98 - 1 - HG2 PRO 56 - QG2 VAL 77 lone 1 98 - 1 - HB3 PRO 56 - QG2 VAL 77 lone 0 57 - 1 - Peak 9663 from cnoeabs.peaks (1.73, 1.18, 22.07 ppm; 3.39 A): 3 out of 3 assignments used, quality = 0.85: HG3 ARG 90 + QG2 VAL 77 OK 70 100 - 70 - 11303=23, 4.0/9676=18...(11) HB ILE 80 + QG2 VAL 77 OK 46 87 - 53 - 3.2/9649=24, ~9719=11...(9) HB2 LEU 43 + QG2 VAL 77 OK 11 96 - 11 - 4.6/9130=4, 9651/2.1=2 Peak 9666 from cnoeabs.peaks (7.40, 3.45, 65.53 ppm; 4.75 A): 1 out of 1 assignment used, quality = 0.80: QE PHE 89 + HA VAL 77 OK 80 96 - 84 - 2.2/9667=39, 9671/3.0=38...(7) Peak 9667 from cnoeabs.peaks (7.07, 3.45, 65.53 ppm; 4.56 A): 1 out of 1 assignment used, quality = 0.85: QD PHE 89 + HA VAL 77 OK 85 100 - 85 - 2.2/9666=35, 9677/3.2=28...(9) Peak 9668 from cnoeabs.peaks (6.96, 3.45, 65.53 ppm; 4.89 A): 2 out of 2 assignments used, quality = 0.69: H ILE 80 + HA VAL 77 OK 56 73 - 76 - 9680/3.6=29, 5.0/9643=29...(8) HE21 GLN 104 + HA VAL 77 OK 29 100 - 29 - ~11148=19, 9680/3.6=5...(5) Peak 9669 from cnoeabs.peaks (6.48, 3.45, 65.53 ppm; 5.14 A): 1 out of 1 assignment used, quality = 0.51: QE TYR 76 + HA VAL 77 OK 51 73 - 69 - 7040/3.0=27, ~7039=25...(7) Peak 9670 from cnoeabs.peaks (8.04, 2.33, 31.62 ppm; 4.80 A): 2 out of 5 assignments used, quality = 0.99: H TYR 76 + HB VAL 77 OK 94 99 - 95 - 9611/2.1=39, 3.1/2388=34...(12) H CYS 79 + HB VAL 77 OK 75 99 - 76 - 9697/2.1=40, 7059/4.5=33...(6) H CYS 125 - HB VAL 77 lone 8 99 - 8 - 7047/4.5=2, 7035/3.9=2 H LEU 48 - HB VAL 77 lone 8 100 - 8 - 7035/3.9=2, 9751/9647=2...(4) H SER 130 - HB VAL 77 lone 3 57 - 5 - 9675/2.1=3 Peak 9671 from cnoeabs.peaks (7.40, 2.33, 31.62 ppm; 4.06 A): 1 out of 1 assignment used, quality = 0.61: QE PHE 89 + HB VAL 77 OK 61 99 - 62 - 2.2/9672=26, 9666/3.0=24...(4) Peak 9672 from cnoeabs.peaks (7.06, 2.33, 31.62 ppm; 4.08 A): 2 out of 2 assignments used, quality = 0.81: QD PHE 89 + HB VAL 77 OK 75 92 - 81 - 2.2/9671=35, 9677/2.1=33...(8) HE ARG 135 + HB VAL 77 OK 27 65 - 41 - 9674/2.1=20, ~9660=11...(5) Peak 9673 from cnoeabs.peaks (7.38, 1.06, 19.25 ppm; 4.17 A): 0 out of 1 assignment used, low quality = 0.00: HE22 GLN 101 - QG1 VAL 77 lone 1 92 - 1 - Peak 9674 from cnoeabs.peaks (7.05, 1.06, 19.25 ppm; 4.35 A): 0 out of 1 assignment used, low quality = 0.28: HE ARG 135 - QG1 VAL 77 OK 28 99 - 28 - ~9660=12, 9672/2.1=6...(5) Peak 9675 from cnoeabs.peaks (8.04, 1.06, 19.25 ppm; 4.04 A): 3 out of 7 assignments used, quality = 0.91: H TYR 76 + QG1 VAL 77 OK 70 81 - 87 - 3.1/7043=37, 9611=22...(14) H CYS 79 + QG1 VAL 77 OK 62 81 - 77 - 4.6/7052=26...(12) H SER 130 + QG1 VAL 77 OK 24 100 - 24 - 3.6/10479=22 H CYS 125 - QG1 VAL 77 lone 5 81 - 6 - 7047/4.2=1, 7783/9693=1 H LEU 48 - QG1 VAL 77 lone 5 65 - 7 - 9198/11741=3, 7035/4.0=1 H ALA 52 - QG1 VAL 77 lone 2 73 - 2 - H ALA 16 - QG1 VAL 77 lone 1 87 - 1 - Peak 9676 from cnoeabs.peaks (7.36, 1.18, 22.07 ppm; 3.71 A): 1 out of 1 assignment used, quality = 0.48: HE ARG 90 + QG2 VAL 77 OK 48 73 - 66 - 11842/2.1=17...(8) Peak 9677 from cnoeabs.peaks (7.06, 1.18, 22.07 ppm; 3.46 A): 2 out of 2 assignments used, quality = 0.71: QD PHE 89 + QG2 VAL 77 OK 65 96 - 68 - 9672/2.1=19, 9667/3.2=16...(10) HE ARG 135 + QG2 VAL 77 OK 18 57 - 32 - 9674/2.1=12, 2.9/9660=11...(5) Peak 9678 from cnoeabs.peaks (8.07, 1.18, 22.07 ppm; 4.43 A): 0 out of 2 assignments used, low quality = 0.15: H VAL 20 - QG2 VAL 77 OK 15 96 - 15 - 4.0/9662=7, 10716=6, 3.6/11763=1 H ASN 120 - QG2 VAL 77 lone 4 57 - 7 - 3.8/2400=5, 7662/4.0=1 Peak 9684 from cnoeabs.peaks (4.08, 3.45, 65.53 ppm; 6.80 A): 1 out of 2 assignments used, quality = 0.95: HA PHE 89 + HA VAL 77 OK 95 100 - 95 - 3.1/9667=49, 4.7/9666=42...(10) HA GLN 104 - HA VAL 77 OK 21 96 - 22 - 5.5/9668=13, 5534/9667=6 Peak 9692 from cnoeabs.peaks (1.07, 2.51, 39.87 ppm; 4.96 A): 1 out of 1 assignment used, quality = 0.77: QG1 VAL 77 + HB2 ASP 78 OK 77 87 - 88 - 7052/4.1=36, 9697/4.3=30...(10) Peak 9693 from cnoeabs.peaks (1.05, 2.74, 39.87 ppm; 4.99 A): 1 out of 1 assignment used, quality = 0.81: QG1 VAL 77 + HB3 ASP 78 OK 81 92 - 88 - 7052/4.1=38...(11) Peak 9694 from cnoeabs.peaks (1.41, 2.74, 39.87 ppm; 5.95 A): 0 out of 3 assignments used, low quality = 0.12: HG2 LYS 86 - HB3 ASP 78 OK 12 73 - 17 - ~11780=9, 9650/9693=2...(4) QB ALA 34 - HB3 ASP 78 lone 3 87 - 4 - QB ALA 16 - HB3 ASP 78 lone 1 73 - 2 - Peak 9695 from cnoeabs.peaks (1.04, 4.38, 55.75 ppm; 4.21 A): 0 out of 1 assignment used, low quality = 0.00: QG2 VAL 133 - HA ASP 78 lone 7 98 - 7 - 10562/3.6=4, 10562/11789=1 Peak 9705 from cnoeabs.peaks (6.49, 2.61, 27.19 ppm; 4.94 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9706 from cnoeabs.peaks (6.48, 1.84, 27.19 ppm; 6.05 A): 1 out of 1 assignment used, quality = 0.49: QE TYR 76 + HB2 CYS 79 OK 49 96 - 51 - 9704/4.4=32...(3) Peak 9713 from cnoeabs.peaks (1.41, 1.74, 38.49 ppm; 5.02 A): 1 out of 1 assignment used, quality = 0.45: QB ALA 16 + HB ILE 80 OK 45 98 - 46 - 11176/2.1=37, ~10668=13 Peak 9714 from cnoeabs.peaks (2.25, 0.82, 16.92 ppm; 5.29 A): 1 out of 1 assignment used, quality = 0.58: HB2 PRO 81 + QG2 ILE 129 OK 58 65 - 88 - 1.8/11894=25...(21) Peak 9715 from cnoeabs.peaks (2.45, 0.82, 16.92 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.51: HG3 GLN 82 + QG2 ILE 129 OK 51 96 - 54 - 2.9/11263=22...(6) Peak 9719 from cnoeabs.peaks (1.05, 0.27, 13.24 ppm; 4.02 A): 1 out of 1 assignment used, quality = 0.68: QG1 VAL 77 + QD1 ILE 80 OK 68 81 - 84 - 2.1/9649=40, 3.2/9643=30...(15) Peak 9720 from cnoeabs.peaks (1.43, 0.27, 13.24 ppm; 4.71 A): 3 out of 3 assignments used, quality = 0.84: HG2 LYS 86 + QD1 ILE 80 OK 61 73 - 83 - 3.7/9820=29, 3.0/9721=19...(17) QB ALA 92 + QD1 ILE 80 OK 53 100 - 53 - 9946/2.1=12...(14) HG2 LYS 26 + QD1 ILE 80 OK 12 96 - 12 - 10478/10485=2...(4) Peak 9721 from cnoeabs.peaks (1.96, 0.27, 13.24 ppm; 5.44 A): 2 out of 4 assignments used, quality = 0.79: HB3 LYS 86 + QD1 ILE 80 OK 75 81 - 93 - 3.0/9820=41...(16) HB2 GLN 27 + QD1 ILE 80 OK 15 98 - 15 - 10766/9649=9...(4) HB ILE 37 - QD1 ILE 80 lone 7 87 - 8 - 10979/11184=3...(3) HB2 GLU 30 - QD1 ILE 80 lone 7 87 - 7 - 2613/9820=2 Peak 9722 from cnoeabs.peaks (2.31, 0.27, 13.24 ppm; 5.99 A): 0 out of 2 assignments used, low quality = 0.00: HG2 GLU 40 - QD1 ILE 80 lone 8 92 - 9 - 9059/9649=7 HB3 GLN 101 - QD1 ILE 80 lone 6 65 - 9 - ~11409=7 Peak 9723 from cnoeabs.peaks (2.71, 0.27, 13.24 ppm; 6.26 A): 0 out of 1 assignment used, low quality = 0.23: HB2 ASP 47 - QD1 ILE 80 OK 23 73 - 32 - 10535/11656=22, 4.7/9751=9 Peak 9724 from cnoeabs.peaks (3.32, 0.27, 13.24 ppm; 3.83 A): 1 out of 2 assignments used, quality = 0.53: HB2 PHE 89 + QD1 ILE 80 OK 53 87 - 61 - 2.7/9747=19, 1.8/9878=17...(9) HB3 CYS 73 - QD1 ILE 80 lone 8 100 - 8 - ~11122=3, 2622/9820=1 Peak 9725 from cnoeabs.peaks (3.44, 0.27, 13.24 ppm; 3.73 A): 2 out of 2 assignments used, quality = 0.69: HA VAL 77 + QD1 ILE 80 OK 61 73 - 83 - 3.2/9649=27, 9643=27...(15) HA VAL 126 + QD1 ILE 80 OK 20 87 - 23 - 11170/2.1=10, 9728/2.1=5...(4) Peak 9726 from cnoeabs.peaks (3.78, 0.27, 13.24 ppm; 4.87 A): 0 out of 3 assignments used, low quality = 0.39: HA SER 130 - QD1 ILE 80 OK 39 100 - 39 - 11744/10588=11...(8) HB3 SER 130 - QD1 ILE 80 poor 8 73 - 11 - 10538/11656=5, ~11746=4...(4) HA LEU 43 - QD1 ILE 80 lone 7 100 - 7 - 9731/2476=2, 4.9/11178=1...(4) Peak 9727 from cnoeabs.peaks (3.89, 0.27, 13.24 ppm; 4.04 A): 4 out of 7 assignments used, quality = 0.93: HA LYS 86 + QD1 ILE 80 OK 84 100 - 84 - 9820=34, 9819/3.1=16...(17) HA2 GLY 114 + QD1 ILE 80 OK 34 92 - 37 - 1.8/2472=8, 2.9/11183=7...(10) HA LEU 70 + QD1 ILE 80 OK 27 87 - 31 - 3.6/11181=8, 3.8/2474=5...(8) HB3 SER 50 + QD1 ILE 80 OK 10 100 - 10 - 3.9/11184=6 HA ALA 46 - QD1 ILE 80 lone 5 73 - 6 - 4.8/2472=2 HA2 GLY 2 - QD1 ILE 80 lone 3 87 - 3 - HA3 GLY 2 - QD1 ILE 80 lone 3 87 - 3 - Peak 9728 from cnoeabs.peaks (3.44, 1.21, 27.07 ppm; 6.08 A): 2 out of 2 assignments used, quality = 0.83: HA VAL 77 + HG12 ILE 80 OK 63 65 - 96 - ~9649=39, 9725/2.1=38...(12) HA VAL 126 + HG12 ILE 80 OK 55 92 - 60 - 11170/1.8=40, ~11613=17...(4) Peak 9729 from cnoeabs.peaks (3.89, 1.74, 38.49 ppm; 5.82 A): 2 out of 7 assignments used, quality = 0.97: HA LYS 86 + HB ILE 80 OK 94 100 - 94 - 9820/3.2=43, 9819/2.1=30...(13) HA2 GLY 114 + HB ILE 80 OK 47 92 - 51 - 1.8/2444=10, 9727/3.2=10...(9) HA LEU 70 - HB ILE 80 OK 32 87 - 37 - 9727/3.2=8, 3.8/2446=7...(9) HA ALA 46 - HB ILE 80 poor 8 73 - 11 - 4.8/2444=4, ~6554=4, 9727/3.2=1 HB3 SER 50 - HB ILE 80 lone 6 100 - 6 - 9727/3.2=3 HA2 GLY 2 - HB ILE 80 lone 3 87 - 4 - HA3 GLY 2 - HB ILE 80 lone 3 87 - 4 - Peak 9731 from cnoeabs.peaks (3.78, 0.82, 16.92 ppm; 4.07 A): 3 out of 3 assignments used, quality = 0.86: HA SER 130 + QG2 ILE 129 OK 70 100 - 70 - 2.9/4143=19, 11746=15...(16) HA LEU 43 + QG2 ILE 129 OK 38 100 - 38 - 3.6/9753=9, 9099/10486=6...(9) HB3 SER 130 + QG2 ILE 129 OK 24 73 - 32 - 3.9/4143=14...(5) Peak 9737 from cnoeabs.peaks (6.47, 4.12, 58.67 ppm; 5.52 A): 1 out of 1 assignment used, quality = 0.82: QE TYR 76 + HA ILE 80 OK 82 100 - 82 - 9704/3.0=39, 9739/3.2=35...(5) Peak 9739 from cnoeabs.peaks (6.47, 0.81, 17.22 ppm; 5.34 A): 1 out of 1 assignment used, quality = 0.83: QE TYR 76 + QG2 ILE 80 OK 83 100 - 83 - 9737/3.2=32, 9704/4.0=31...(7) Peak 9740 from cnoeabs.peaks (7.05, 0.81, 17.22 ppm; 4.68 A): 0 out of 1 assignment used, low quality = 0.26: HE ARG 135 - QG2 ILE 80 OK 26 99 - 26 - 9747/3.1=12, 7.3/10633=6...(6) Peak 9741 from cnoeabs.peaks (7.29, 0.81, 17.22 ppm; 4.44 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9742 from cnoeabs.peaks (7.55, 0.81, 17.22 ppm; 4.04 A): 0 out of 3 assignments used, low quality = 0.44: H GLN 82 - QG2 ILE 80 OK 32 99 - 32 - 11261/3.2=11...(8) H THR 54 - QG2 ILE 80 OK 19 96 - 20 - 6674/3.2=6, 11189/4.0=4...(4) HE22 GLN 61 - QG2 ILE 80 lone 2 87 - 2 - Peak 9744 from cnoeabs.peaks (6.48, 1.21, 27.07 ppm; 4.81 A): 0 out of 1 assignment used, low quality = 0.36: QE TYR 76 - HG12 ILE 80 OK 36 65 - 55 - 9745/1.8=30, 9739/3.2=14...(5) Peak 9745 from cnoeabs.peaks (6.48, 0.82, 27.07 ppm; 5.33 A): 1 out of 1 assignment used, quality = 0.73: QE TYR 76 + HG13 ILE 80 OK 73 92 - 79 - 9744/1.8=41, 9739/3.2=30...(5) Peak 9746 from cnoeabs.peaks (6.46, 0.27, 13.24 ppm; 3.51 A): 0 out of 1 assignment used, low quality = 0.30: QE TYR 76 - QD1 ILE 80 OK 30 81 - 37 - 9704/5.0=10...(8) Peak 9747 from cnoeabs.peaks (7.06, 0.27, 13.24 ppm; 3.96 A): 2 out of 2 assignments used, quality = 0.69: QD PHE 89 + QD1 ILE 80 OK 55 73 - 75 - 2.7/9724=28, 2.7/9878=18...(14) HE ARG 135 + QD1 ILE 80 OK 32 87 - 37 - 9740/3.1=21, 9674/9719=6...(8) Peak 9748 from cnoeabs.peaks (7.31, 0.27, 13.24 ppm; 5.05 A): 2 out of 3 assignments used, quality = 0.74: HZ PHE 89 + QD1 ILE 80 OK 54 87 - 62 - 3.8/9747=24, 5.8/9724=21...(5) H ARG 135 + QD1 ILE 80 OK 44 100 - 44 - 10633/3.1=17...(6) QD PHE 87 - QD1 ILE 80 lone 6 87 - 7 - 10560/10590=2...(3) Peak 9749 from cnoeabs.peaks (7.42, 0.27, 13.24 ppm; 4.57 A): 0 out of 2 assignments used, low quality = 0.42: HE22 GLN 104 - QD1 ILE 80 OK 29 73 - 40 - 11148/9649=11...(9) H GLN 61 - QD1 ILE 80 OK 18 100 - 18 - 4.6/11184=10...(3) Peak 9750 from cnoeabs.peaks (7.55, 0.27, 13.24 ppm; 4.91 A): 3 out of 5 assignments used, quality = 0.87: H VAL 77 + QD1 ILE 80 OK 76 81 - 94 - 3.0/9643=41, 4.0/9649=36...(14) H GLN 82 + QD1 ILE 80 OK 31 87 - 36 - 9742/3.1=21...(4) H THR 54 + QD1 ILE 80 OK 25 100 - 25 - 9742/3.1=13, 6674/4.2=8...(4) H LEU 119 - QD1 ILE 80 lone 7 81 - 8 - 2400/9649=2...(3) HE22 GLN 61 - QD1 ILE 80 lone 6 57 - 10 - 5.9/9749=8, 9742/3.1=1 Peak 9751 from cnoeabs.peaks (8.05, 0.27, 13.24 ppm; 4.91 A): 3 out of 4 assignments used, quality = 0.97: H CYS 79 + QD1 ILE 80 OK 79 98 - 81 - 9696/2.1=42, 4.6/7077=31...(11) H TYR 76 + QD1 ILE 80 OK 67 98 - 68 - 3.1/9637=33, 6.5/9746=19...(11) H LEU 48 + QD1 ILE 80 OK 52 100 - 52 - ~9203=27, 4.7/9723=18...(5) H CYS 125 - QD1 ILE 80 lone 7 98 - 7 - Peak 9753 from cnoeabs.peaks (8.33, 0.82, 16.92 ppm; 4.25 A): 0 out of 3 assignments used, low quality = 0.42: H LYS 86 - QG2 ILE 129 OK 30 81 - 37 - 9813=9, 4.5/10481=7...(9) H GLU 44 - QG2 ILE 129 OK 18 100 - 18 - 3.6/9731=8, 6524/3.2=5...(4) H ALA 28 - QG2 ILE 129 lone 2 87 - 2 - Peak 9754 from cnoeabs.peaks (1.46, 3.75, 66.49 ppm; 6.04 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9755 from cnoeabs.peaks (1.65, 3.75, 66.49 ppm; 4.57 A): 0 out of 7 assignments used, low quality = 0.44: HB2 LEU 123 - HA THR 83 OK 44 99 - 45 - ~9758=16, 9756/3.0=10...(8) HD3 LYS 19 - HA THR 83 lone 5 100 - 5 - 9756/3.0=1 HD2 LYS 19 - HA THR 83 lone 5 100 - 5 - 9756/3.0=1 HD2 LYS 95 - HA THR 83 lone 4 87 - 5 - ~9759=1, 9756/3.0=1 HB2 LEU 98 - HA THR 83 lone 4 96 - 4 - ~11267=1 HG LEU 43 - HA THR 83 lone 3 92 - 3 - HG LEU 62 - HA THR 83 lone 2 100 - 2 - Peak 9756 from cnoeabs.peaks (1.65, 4.17, 68.68 ppm; 4.91 A): 3 out of 14 assignments used, quality = 0.85: HB2 LEU 123 + HB THR 83 OK 65 100 - 65 - 1.8/9758=31, 9755/3.0=23...(7) HD3 LYS 86 + HB THR 83 OK 35 73 - 48 - 3.5/9757=20, ~11287=12...(5) HD2 LYS 86 + HB THR 83 OK 35 73 - 48 - 3.5/9757=20, ~11287=12...(5) HD2 LYS 95 - HB THR 83 lone 7 98 - 7 - 9755/3.0=2, ~9759=2, 9759/2.1=2 HD2 LYS 19 - HB THR 83 lone 7 99 - 7 - 9755/3.0=3, ~9755=2 HD3 LYS 19 - HB THR 83 lone 7 99 - 7 - 9755/3.0=3, ~9755=2 HB2 LEU 98 - HB THR 83 lone 6 100 - 6 - 9755/3.0=2, ~11267=2, 9759/2.1=1 HD3 LYS 95 - HB THR 83 lone 5 73 - 7 - ~9759=2, 9759/2.1=2, ~9755=2 HG LEU 62 - HB THR 83 lone 2 98 - 3 - HD3 LYS 26 - HB THR 83 lone 2 81 - 3 - HD3 LYS 24 - HB THR 83 lone 2 65 - 3 - 6237/9773=1 HG LEU 43 - HB THR 83 lone 2 73 - 3 - 9755/3.0=1 HD2 LYS 26 - HB THR 83 lone 2 65 - 3 - HD3 LYS 31 - HB THR 83 lone 2 65 - 3 - Peak 9757 from cnoeabs.peaks (1.80, 4.17, 68.68 ppm; 5.04 A): 2 out of 4 assignments used, quality = 0.78: HB2 LYS 86 + HB THR 83 OK 72 99 - 73 - 2624/3.0=30, ~2636=27...(6) HB3 LEU 123 + HB THR 83 OK 21 37 - 56 - ~9755=18, 1.8/9756=15...(7) HB3 LEU 122 - HB THR 83 lone 8 98 - 8 - 2511/3.0=4, 11267/2.1=3 HB3 LEU 103 - HB THR 83 lone 6 96 - 7 - 2511/3.0=3, 11267/2.1=2 Peak 9758 from cnoeabs.peaks (1.92, 4.17, 68.68 ppm; 4.77 A): 0 out of 4 assignments used, low quality = 0.18: HB3 LEU 123 - HB THR 83 OK 18 37 - 48 - ~9755=16, 1.8/9756=14...(5) HB3 LEU 49 - HB THR 83 lone 2 87 - 3 - ~10959=1 HB2 ARG 90 - HB THR 83 lone 2 65 - 3 - ~2512=3 HB2 MET 11 - HB THR 83 lone 1 100 - 1 - Peak 9759 from cnoeabs.peaks (1.66, 1.24, 22.04 ppm; 3.55 A): 3 out of 16 assignments used, quality = 0.72: HD2 LYS 86 + QG2 THR 83 OK 36 99 - 37 - 3.5/11267=15...(7) HD3 LYS 86 + QG2 THR 83 OK 36 99 - 37 - 3.5/11267=15...(7) HB2 LEU 123 + QG2 THR 83 OK 30 81 - 37 - ~9758=11, 3.2/11583=8...(8) HD3 LYS 95 - QG2 THR 83 lone 8 99 - 8 - 3.7/9760=3, 3.7/9760=2 HD2 LYS 95 - QG2 THR 83 lone 8 98 - 8 - 3.7/9760=3, 3.7/9760=2 HB2 LEU 98 - QG2 THR 83 lone 5 92 - 5 - 1.8/11267=2 QB ALA 88 - QG2 THR 83 lone 5 96 - 5 - 9851/11240=2, 7144/11241=1 HD3 LYS 19 - QG2 THR 83 lone 3 73 - 4 - HD2 LYS 19 - QG2 THR 83 lone 3 73 - 4 - HD3 LYS 24 - QG2 THR 83 lone 2 98 - 2 - HD2 LYS 24 - QG2 THR 83 lone 2 96 - 2 - HD3 LYS 26 - QG2 THR 83 lone 2 100 - 2 - HG LEU 62 - QG2 THR 83 lone 2 65 - 3 - 9316/9318=1 HD3 LYS 31 - QG2 THR 83 lone 1 98 - 1 - HD2 LYS 26 - QG2 THR 83 lone 1 98 - 1 - HD2 LYS 31 - QG2 THR 83 lone 1 96 - 1 - Peak 9760 from cnoeabs.peaks (1.93, 1.24, 22.04 ppm; 3.83 A): 0 out of 5 assignments used, low quality = 0.18: HG LEU 53 - QG2 THR 83 OK 18 96 - 19 - 1663/2.1=5, ~1671=3...(6) HB2 LYS 95 - QG2 THR 83 lone 4 92 - 4 - 3.7/9759=1, 3.7/9759=1 HB3 LYS 95 - QG2 THR 83 lone 3 73 - 4 - 3.7/9759=1, 3.7/9759=1 HG2 PRO 113 - QG2 THR 83 lone 1 100 - 1 - HB2 MET 11 - QG2 THR 83 lone 1 65 - 1 - Peak 9763 from cnoeabs.peaks (3.20, 4.17, 68.68 ppm; 5.94 A): 2 out of 3 assignments used, quality = 0.97: HD3 ARG 84 + HB THR 83 OK 82 99 - 83 - 5.0/11274=39...(5) HD2 ARG 84 + HB THR 83 OK 82 99 - 83 - 5.0/11274=39...(5) HB3 CYS 125 - HB THR 83 lone 4 87 - 5 - Peak 9765 from cnoeabs.peaks (4.59, 4.17, 68.68 ppm; 4.53 A): 2 out of 2 assignments used, quality = 0.51: HA GLN 82 + HB THR 83 OK 37 92 - 40 - 3.6/9772=34, 9779/4.4=5 HA VAL 57 + HB THR 83 OK 22 99 - 22 - ~9318=18, 11203/4.0=4 Peak 9770 from cnoeabs.peaks (8.88, 3.75, 66.49 ppm; 5.07 A): 1 out of 2 assignments used, quality = 1.00: H THR 83 + HA THR 83 OK 100 100 - 100 - 2.8=100 H ASN 59 - HA THR 83 lone 1 57 - 2 - 4.3/2512=1 Peak 9771 from cnoeabs.peaks (7.28, 3.75, 66.49 ppm; 5.79 A): 2 out of 2 assignments used, quality = 0.82: QE PHE 87 + HA THR 83 OK 61 92 - 67 - ~9776=34, 6.3/7150=24...(6) H ASN 85 + HA THR 83 OK 53 81 - 66 - 3.9/7129=37, 9774/3.0=23...(4) Peak 9772 from cnoeabs.peaks (8.87, 4.17, 68.68 ppm; 3.81 A): 1 out of 1 assignment used, quality = 0.81: H THR 83 + HB THR 83 OK 81 87 - 93 - 4.0=87, 4.7/2516=20...(4) Peak 9773 from cnoeabs.peaks (8.10, 4.17, 68.68 ppm; 6.80 A): 0 out of 1 assignment used, low quality = 0.00: H THR 25 - HB THR 83 lone 7 100 - 7 - 11240/2.1=4 Peak 9774 from cnoeabs.peaks (7.28, 4.17, 68.68 ppm; 5.03 A): 2 out of 3 assignments used, quality = 0.89: H ASN 85 + HB THR 83 OK 76 92 - 82 - 3.7/2516=41...(7) QE PHE 87 + HB THR 83 OK 53 98 - 54 - ~9776=35, 9771/3.0=14...(6) HD2 HIS 10 - HB THR 83 lone 4 57 - 6 - 7097/4.4=2, 2529/11274=1 Peak 9775 from cnoeabs.peaks (8.87, 1.24, 22.04 ppm; 3.85 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9776 from cnoeabs.peaks (7.31, 1.24, 22.04 ppm; 3.21 A): 0 out of 3 assignments used, low quality = 0.16: QD PHE 87 - QG2 THR 83 OK 16 81 - 20 - 4.2/11240=9, ~9774=4...(5) H ARG 135 - QG2 THR 83 lone 1 99 - 1 - HZ PHE 89 - QG2 THR 83 lone 0 92 - 0 - Peak 9782 from cnoeabs.peaks (1.24, 4.25, 59.13 ppm; 5.19 A): 1 out of 3 assignments used, quality = 0.88: QG2 THR 83 + HA ARG 84 OK 88 92 - 96 - 2.1/11274=49...(11) QG2 THR 54 - HA ARG 84 lone 8 87 - 9 - 7089/2.8=3, 2508/4.9=2 QG2 THR 65 - HA ARG 84 lone 3 87 - 4 - 9835/2725=2 Peak 9784 from cnoeabs.peaks (0.89, 4.25, 59.13 ppm; 4.22 A): 0 out of 4 assignments used, low quality = 0.00: QD2 LEU 123 - HA ARG 84 lone 3 73 - 4 - 3.2/2524=2 QG1 VAL 118 - HA ARG 84 lone 2 81 - 3 - 10260/3.0=1 QG2 VAL 20 - HA ARG 84 lone 1 100 - 1 - QD1 LEU 22 - HA ARG 84 lone 1 99 - 1 - Peak 9788 from cnoeabs.peaks (1.66, 2.69, 37.63 ppm; 5.84 A): 3 out of 16 assignments used, quality = 0.84: QB ALA 88 + HB2 ASN 85 OK 75 96 - 78 - 2750/3.0=45, 9853=31...(7) HD2 LYS 86 + HB2 ASN 85 OK 20 99 - 20 - 7143/4.4=10, 2595/3.0=4...(4) HD3 LYS 86 + HB2 ASN 85 OK 20 99 - 20 - 7143/4.4=10, 2595/3.0=4...(4) HD3 LYS 31 - HB2 ASN 85 lone 8 98 - 8 - 7143/4.4=2, 2595/3.0=1...(4) HD2 LYS 31 - HB2 ASN 85 lone 7 96 - 8 - 7143/4.4=2, 2595/3.0=1...(4) HD3 LYS 24 - HB2 ASN 85 lone 6 98 - 6 - 7143/4.4=2, 2595/3.0=1, ~2595=1 HD2 LYS 24 - HB2 ASN 85 lone 6 96 - 6 - 7143/4.4=2, 2595/3.0=1, ~2595=1 HB2 LEU 123 - HB2 ASN 85 lone 5 81 - 6 - ~9806=2, ~9799=1 HD3 LYS 26 - HB2 ASN 85 lone 5 100 - 5 - 7143/4.4=1 HD2 LYS 26 - HB2 ASN 85 lone 5 98 - 5 - 7143/4.4=1 HD3 LYS 95 - HB2 ASN 85 lone 4 99 - 4 - HG LEU 62 - HB2 ASN 85 lone 4 65 - 6 - ~9794=3 HD2 LYS 95 - HB2 ASN 85 lone 3 98 - 3 - HB2 LEU 98 - HB2 ASN 85 lone 3 92 - 3 - HD3 LYS 19 - HB2 ASN 85 lone 2 73 - 3 - HD2 LYS 19 - HB2 ASN 85 lone 2 73 - 3 - Peak 9789 from cnoeabs.peaks (2.07, 2.69, 37.63 ppm; 6.33 A): 0 out of 5 assignments used, low quality = 0.32: HB3 LYS 39 - HB2 ASN 85 OK 22 57 - 38 - 2.9/9790=12, 9798/3.5=11...(4) HG3 PRO 113 - HB2 ASN 85 OK 13 73 - 18 - ~9806=14, ~11279=3 HB3 GLU 44 - HB2 ASN 85 lone 4 65 - 5 - 1410/4.4=2, 9798/3.5=1 HG3 PRO 58 - HB2 ASN 85 lone 3 98 - 3 - HB3 GLN 27 - HB2 ASN 85 lone 2 73 - 2 - Peak 9790 from cnoeabs.peaks (1.13, 2.69, 37.63 ppm; 5.04 A): 3 out of 4 assignments used, quality = 0.94: QG1 VAL 132 + HB2 ASN 85 OK 79 98 - 81 - 11660/1.8=43...(8) QG2 VAL 132 + HB2 ASN 85 OK 51 92 - 55 - ~11660=32, 9801/3.5=13...(6) HG2 LYS 39 + HB2 ASN 85 OK 45 100 - 45 - ~9808=13, 2.9/9789=12...(7) QG2 THR 115 - HB2 ASN 85 lone 3 100 - 3 - Peak 9791 from cnoeabs.peaks (0.81, 2.69, 37.63 ppm; 4.37 A): 1 out of 4 assignments used, quality = 0.62: QG2 ILE 80 + HB2 ASN 85 OK 62 99 - 62 - 11172/1.8=34, 11173=23...(8) QG2 ILE 129 - HB2 ASN 85 poor 7 57 - 12 - 9753/4.4=5, 9787/3.6=5 QD1 LEU 122 - HB2 ASN 85 lone 6 92 - 7 - 9793/1.8=3, ~9807=2 QD1 LEU 70 - HB2 ASN 85 lone 4 81 - 5 - 9787/3.6=2, 9810/3.5=1 Peak 9793 from cnoeabs.peaks (0.81, 2.82, 37.63 ppm; 4.24 A): 3 out of 3 assignments used, quality = 0.80: QG2 ILE 80 + HB3 ASN 85 OK 55 87 - 64 - 11173/1.8=30, 11172=29...(7) QD2 LEU 119 + HB3 ASN 85 OK 51 81 - 63 - 2.1/10294=31...(11) QD1 LEU 122 + HB3 ASN 85 OK 10 100 - 10 - 9791/1.8=3...(4) Peak 9794 from cnoeabs.peaks (1.15, 2.82, 37.63 ppm; 5.56 A): 1 out of 2 assignments used, quality = 0.58: QG2 VAL 132 + HB3 ASN 85 OK 58 81 - 72 - 2.1/11660=47...(7) HB3 LEU 62 - HB3 ASN 85 lone 6 100 - 6 - 11932/11172=3, 9801/3.5=1 Peak 9818 from cnoeabs.peaks (1.18, 3.89, 60.84 ppm; 4.56 A): 2 out of 3 assignments used, quality = 0.80: QG2 VAL 77 + HA LYS 86 OK 63 92 - 69 - 11157=29, 11742/3.7=23...(11) QG2 THR 18 + HA LYS 86 OK 45 92 - 49 - ~10689=16, 9824/3.0=14...(9) QB ALA 41 - HA LYS 86 lone 6 87 - 7 - 9824/3.0=2, 11286/3.7=2, ~1279=1 Peak 9819 from cnoeabs.peaks (0.81, 3.89, 60.84 ppm; 4.24 A): 2 out of 3 assignments used, quality = 0.73: QG2 ILE 80 + HA LYS 86 OK 59 81 - 73 - 3.1/9820=27...(13) QD1 LEU 122 + HA LYS 86 OK 36 100 - 36 - 9821/3.0=14, 3.1/2612=8...(8) QD2 LEU 119 - HA LYS 86 lone 3 87 - 3 - 9821/3.0=2 Peak 9820 from cnoeabs.peaks (0.27, 3.89, 60.84 ppm; 4.62 A): 1 out of 1 assignment used, quality = 0.89: QD1 ILE 80 + HA LYS 86 OK 89 100 - 89 - 9727=25, 11182/2.9=22...(17) Peak 9821 from cnoeabs.peaks (0.80, 1.79, 32.72 ppm; 4.41 A): 2 out of 4 assignments used, quality = 0.72: QD1 LEU 122 + HB2 LYS 86 OK 51 98 - 52 - 9819/3.0=12, 3895=8...(11) QG2 ILE 80 + HB2 LYS 86 OK 43 57 - 75 - 9819/3.0=19, ~9820=15...(14) QD2 LEU 119 - HB2 LYS 86 lone 7 98 - 7 - 3.9/3764=2 QD2 LEU 49 - HB2 LYS 86 lone 2 81 - 2 - Peak 9822 from cnoeabs.peaks (0.27, 1.79, 32.72 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.92: QD1 ILE 80 + HB2 LYS 86 OK 92 96 - 97 - 9820/3.0=45, 9825/1.8=43...(13) Peak 9823 from cnoeabs.peaks (1.19, 1.95, 32.72 ppm; 4.79 A): 2 out of 2 assignments used, quality = 0.60: QG2 VAL 77 + HB3 LYS 86 OK 56 81 - 69 - 11775/4.9=22...(10) QG2 THR 25 + HB3 LYS 86 OK 10 100 - 10 - 4.3/10744=5, 11775/4.9=3 Peak 9824 from cnoeabs.peaks (1.17, 1.79, 32.72 ppm; 4.18 A): 1 out of 3 assignments used, quality = 0.49: QG2 THR 18 + HB2 LYS 86 OK 49 98 - 50 - 2.1/10689=22...(7) HG12 ILE 32 - HB2 LYS 86 lone 7 87 - 8 - 11286/3.0=4, 10843/1.8=2 QB ALA 41 - HB2 LYS 86 lone 6 99 - 6 - 11286/3.0=3 Peak 9825 from cnoeabs.peaks (0.27, 1.95, 32.72 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.94: QD1 ILE 80 + HB3 LYS 86 OK 94 96 - 98 - 9820/3.0=45, 9822/1.8=43...(19) Peak 9826 from cnoeabs.peaks (0.28, 1.42, 25.00 ppm; 6.80 A): 0 out of 1 assignment used, low quality = 0.31: QG2 VAL 93 - HG2 LYS 86 OK 31 73 - 42 - 9648/9650=14, 2.1/9974=9...(7) Peak 9827 from cnoeabs.peaks (0.30, 1.47, 25.00 ppm; 6.80 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9828 from cnoeabs.peaks (0.29, 1.65, 29.32 ppm; 6.80 A): 0 out of 2 assignments used, low quality = 0.11: QG2 VAL 93 - HD2 LYS 95 OK 11 81 - 14 - 9983/3020=7, ~2909=4 QG2 VAL 93 - HD3 LYS 95 poor 4 39 - 11 - 9983/7320=4, ~2909=4 Peak 9833 from cnoeabs.peaks (1.93, 3.23, 38.18 ppm; 4.71 A): 0 out of 8 assignments used, low quality = 0.00: HB2 LYS 95 - HB2 PHE 87 lone 5 99 - 5 - 3.7/9834=3 HB3 LYS 95 - HB2 PHE 87 lone 5 92 - 5 - 3.7/9834=3 HG2 PRO 113 - HB2 PHE 87 lone 3 98 - 3 - ~2723=2 HG LEU 53 - HB2 PHE 87 lone 3 100 - 3 - 9760/9835=2 HG2 PRO 113 - HB3 PHE 87 lone 2 69 - 3 - ~2723=2 HB2 LYS 95 - HB3 PHE 87 lone 2 71 - 2 - HG LEU 53 - HB3 PHE 87 lone 2 73 - 2 - 9760/9835=1 HB3 LYS 95 - HB3 PHE 87 lone 1 62 - 2 - Peak 9834 from cnoeabs.peaks (1.65, 3.23, 38.18 ppm; 4.19 A): 7 out of 16 assignments used, quality = 0.73: HB2 LEU 98 + HB2 PHE 87 OK 32 98 - 33 - 1.8/11289=11, ~11288=9...(5) HB2 LEU 98 + HB3 PHE 87 OK 22 69 - 32 - ~11289=9, ~11288=9...(5) HD2 LYS 19 + HB2 PHE 87 OK 15 100 - 15 - 9841/3.0=3, ~9841=3...(5) HD3 LYS 19 + HB2 PHE 87 OK 15 100 - 15 - 9841/3.0=3, ~9841=3...(5) HD2 LYS 95 + HB2 PHE 87 OK 11 92 - 13 - 3.7/9833=5, 3.7/9833=4 HD3 LYS 19 + HB3 PHE 87 OK 10 73 - 14 - 9841/3.0=3, ~9841=3...(4) HD2 LYS 19 + HB3 PHE 87 OK 10 73 - 14 - 9841/3.0=3, ~9841=3...(4) HB2 LEU 123 - HB2 PHE 87 lone 5 100 - 5 - 9841/3.0=1 HD2 LYS 95 - HB3 PHE 87 lone 4 62 - 7 - 3.7/9833=2, 3.7/9833=1 HB2 LEU 123 - HB3 PHE 87 lone 3 73 - 4 - 9841/3.0=1 HG LEU 62 - HB2 PHE 87 lone 3 100 - 3 - 9841/3.0=1 HG LEU 43 - HB2 PHE 87 lone 2 87 - 2 - HD3 LYS 26 - HB2 PHE 87 lone 2 65 - 3 - HG LEU 62 - HB3 PHE 87 lone 2 73 - 3 - 9841/3.0=1 HG LEU 43 - HB3 PHE 87 lone 1 57 - 2 - HD3 LYS 26 - HB3 PHE 87 lone 1 41 - 3 - Peak 9835 from cnoeabs.peaks (1.23, 3.23, 38.18 ppm; 5.49 A): 4 out of 6 assignments used, quality = 0.78: QG2 THR 83 + HB2 PHE 87 OK 50 87 - 58 - 9776/2.5=35...(5) QG2 THR 83 + HB3 PHE 87 OK 32 57 - 55 - 9776/2.5=35...(4) QG2 THR 65 + HB2 PHE 87 OK 25 92 - 27 - 9837/2.5=25 QG2 THR 65 + HB3 PHE 87 OK 16 62 - 27 - 9837/2.5=25 QG2 THR 54 - HB2 PHE 87 lone 2 81 - 2 - QG2 THR 54 - HB3 PHE 87 lone 1 52 - 2 - Peak 9836 from cnoeabs.peaks (1.65, 7.32, 131.40 ppm; 6.80 A): 5 out of 8 assignments used, quality = 0.78: HB2 LEU 98 + QD PHE 87 OK 46 98 - 47 - ~11289=18, 9834/2.5=11...(6) HD3 LYS 19 + QD PHE 87 OK 26 100 - 26 - 9841/3.7=6, 9834/2.5=5...(5) HD2 LYS 19 + QD PHE 87 OK 26 100 - 26 - 9841/3.7=6, 9834/2.5=5...(5) HD2 LYS 95 + QD PHE 87 OK 17 92 - 18 - 9910/9917=6, 9834/2.5=4...(5) HB2 LEU 123 + QD PHE 87 OK 12 100 - 12 - 9841/3.7=2, 9834/2.5=2...(5) HG LEU 43 - QD PHE 87 poor 9 87 - 10 - 11324/11334=3...(3) HG LEU 62 - QD PHE 87 lone 8 100 - 8 - 9841/3.7=3, 9834/2.5=1 HD3 LYS 26 - QD PHE 87 lone 5 65 - 7 - 5.0/5522=2 Peak 9837 from cnoeabs.peaks (1.23, 7.32, 131.40 ppm; 5.20 A): 0 out of 1 assignment used, low quality = 0.00: QG2 THR 65 - QD PHE 87 lone 8 99 - 8 - 9835/2.5=4, 9835/2.5=3 Peak 9841 from cnoeabs.peaks (1.64, 4.26, 61.26 ppm; 5.39 A): 5 out of 9 assignments used, quality = 0.71: HB2 LEU 98 + HA PHE 87 OK 37 81 - 46 - 1.8/11288=22, ~11289=12...(5) HD3 LYS 19 + HA PHE 87 OK 22 96 - 22 - 9834/3.0=4, ~9834=4...(8) HD2 LYS 19 + HA PHE 87 OK 22 96 - 22 - 9834/3.0=4, ~9834=4...(8) HG3 ARG 84 + HA PHE 87 OK 14 73 - 19 - 3.0/2723=12, 3.6/11859=3...(4) HG2 ARG 84 + HA PHE 87 OK 14 73 - 19 - 3.0/2723=12, 3.6/11859=3...(4) HG LEU 62 - HA PHE 87 lone 9 98 - 9 - ~9830=5, 9836/3.7=1 HB2 LEU 123 - HA PHE 87 lone 7 92 - 8 - 9836/3.7=2, 9834/3.0=1 HD2 LYS 95 - HA PHE 87 lone 6 65 - 9 - 9834/3.0=3, 9836/3.7=2 HG LEU 43 - HA PHE 87 lone 4 99 - 4 - 9836/3.7=1 Peak 9844 from cnoeabs.peaks (8.34, 3.23, 38.18 ppm; 5.42 A): 3 out of 6 assignments used, quality = 0.90: H LYS 86 + HB2 PHE 87 OK 76 100 - 76 - 7154/4.0=34, 7175/4.5=27...(10) H LYS 86 + HB3 PHE 87 OK 54 73 - 74 - 7154/4.0=34, 7175/4.5=27...(9) H LYS 19 + HB2 PHE 87 OK 14 73 - 19 - 7154/4.0=4, ~5522=3...(8) H LYS 19 - HB3 PHE 87 poor 8 46 - 18 - 7154/4.0=4, ~5522=3...(8) H GLU 44 - HB2 PHE 87 lone 6 73 - 7 - 7154/4.0=4, 7175/4.5=2 H GLU 44 - HB3 PHE 87 lone 3 46 - 7 - 7154/4.0=4, 7175/4.5=2 Peak 9845 from cnoeabs.peaks (8.12, 7.32, 131.40 ppm; 6.45 A): 2 out of 3 assignments used, quality = 0.99: H PHE 87 + QD PHE 87 OK 98 98 - 100 - 4.2=100 H GLU 91 + QD PHE 87 OK 58 87 - 67 - 4.7/9918=33, 4.7/9917=28...(7) H ASN 121 - QD PHE 87 OK 15 99 - 15 - 2714/3.7=4, 2876/9918=2...(6) Peak 9846 from cnoeabs.peaks (8.13, 7.27, 130.01 ppm; 6.80 A): 0 out of 5 assignments used, low quality = 0.17: H VAL 133 - QE PHE 87 OK 17 57 - 30 - 10549/2.2=15, ~10560=9...(4) H GLU 91 - QE PHE 87 poor 7 57 - 12 - 7226/5.6=8, 11197/7097=1 H ASP 71 - QE PHE 87 lone 5 99 - 5 - 11197/7097=2 H ILE 32 - QE PHE 87 lone 4 92 - 4 - 11197/7097=1 H ALA 15 - QE PHE 87 lone 3 81 - 3 - Peak 9847 from cnoeabs.peaks (7.29, 1.66, 18.14 ppm; 5.13 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9848 from cnoeabs.peaks (6.65, 1.66, 18.14 ppm; 6.80 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9849 from cnoeabs.peaks (7.33, 4.20, 54.89 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.56: QD PHE 87 + HA ALA 88 OK 56 65 - 86 - 7181/2.9=24, ~2742=23...(10) Peak 9850 from cnoeabs.peaks (6.31, 4.20, 54.89 ppm; 6.80 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9851 from cnoeabs.peaks (8.12, 1.66, 18.14 ppm; 4.37 A): 3 out of 3 assignments used, quality = 0.83: H PHE 87 + QB ALA 88 OK 71 100 - 72 - 7170/3.0=33, 7171/3.7=17...(12) H GLU 91 + QB ALA 88 OK 33 73 - 46 - 7227/2.1=15, 4.0/9865=14...(5) H ASN 121 + QB ALA 88 OK 12 96 - 12 - 7177/3.0=4, 7191/3.7=3 Peak 9852 from cnoeabs.peaks (3.32, 1.66, 18.14 ppm; 5.84 A): 2 out of 2 assignments used, quality = 0.93: HB2 PHE 89 + QB ALA 88 OK 92 92 - 100 - 4.7=100 HB3 CYS 73 + QB ALA 88 OK 13 99 - 13 - 2777/4.7=6, 7197/3.7=5 Peak 9853 from cnoeabs.peaks (2.69, 1.66, 18.14 ppm; 5.55 A): 1 out of 1 assignment used, quality = 0.58: HB2 ASN 85 + QB ALA 88 OK 58 81 - 72 - 3.0/2750=49, ~7174=28...(7) Peak 9854 from cnoeabs.peaks (2.25, 1.66, 18.14 ppm; 4.97 A): 0 out of 1 assignment used, low quality = 0.16: HB2 PRO 81 - QB ALA 88 OK 16 81 - 20 - 2.3/9865=13, ~2748=7 Peak 9859 from cnoeabs.peaks (3.21, 4.20, 54.89 ppm; 5.71 A): 0 out of 4 assignments used, low quality = 0.11: HB3 CYS 125 - HA ALA 88 OK 11 99 - 11 - 3.0/11590=10 HB3 HIS 8 - HA ALA 88 lone 2 98 - 2 - HD3 ARG 84 - HA ALA 88 lone 1 57 - 2 - HD2 ARG 84 - HA ALA 88 lone 1 57 - 2 - Peak 9860 from cnoeabs.peaks (1.10, 4.20, 54.89 ppm; 5.98 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9861 from cnoeabs.peaks (1.13, 1.66, 18.14 ppm; 3.09 A): 3 out of 4 assignments used, quality = 0.64: QG1 VAL 132 + QB ALA 88 OK 38 98 - 39 - 10533=26, ~9476=4...(5) QG2 VAL 132 + QB ALA 88 OK 33 92 - 36 - 2.1/10533=17, 9476/3.0=7...(6) HG2 LYS 39 + QB ALA 88 OK 12 100 - 12 - 9867/3.7=3, 9476/3.0=2...(5) QG2 THR 115 - QB ALA 88 lone 3 100 - 3 - Peak 9865 from cnoeabs.peaks (2.00, 1.66, 18.14 ppm; 4.41 A): 2 out of 7 assignments used, quality = 0.81: HB2 GLU 91 + QB ALA 88 OK 68 98 - 70 - 2860/2.1=25, ~2749=20...(7) HG2 PRO 81 + QB ALA 88 OK 39 100 - 39 - 2.3/9854=29, 2748/2.1=8 HB2 GLU 55 - QB ALA 88 lone 6 81 - 8 - 2748/2.1=3, 9870/3.7=2, ~2749=2 HB ILE 129 - QB ALA 88 lone 4 92 - 5 - 2748/2.1=1 HB3 LEU 53 - QB ALA 88 lone 3 96 - 3 - 2748/2.1=1 HB3 PRO 56 - QB ALA 88 lone 2 98 - 2 - HB VAL 20 - QB ALA 88 lone 2 96 - 2 - Peak 9873 from cnoeabs.peaks (1.14, 4.08, 62.01 ppm; 3.93 A): 2 out of 4 assignments used, quality = 0.75: QG2 VAL 132 + HA PHE 89 OK 63 99 - 64 - 9867/2.9=19, ~10546=18...(13) HG2 LYS 39 + HA PHE 89 OK 32 87 - 37 - 9867/2.9=10, ~9880=7...(10) HB3 LEU 62 - HA PHE 89 lone 8 96 - 8 - 9947/2897=2, 9867/2.9=2 QG2 THR 115 - HA PHE 89 lone 5 87 - 6 - 9867/2.9=1 Peak 9874 from cnoeabs.peaks (0.27, 4.08, 62.01 ppm; 5.55 A): 1 out of 1 assignment used, quality = 0.90: QD1 ILE 80 + HA PHE 89 OK 90 100 - 90 - 9724/3.0=41, 9878/3.0=34...(12) Peak 9875 from cnoeabs.peaks (1.14, 3.31, 39.75 ppm; 4.73 A): 3 out of 5 assignments used, quality = 0.95: QG2 VAL 132 + HB2 PHE 89 OK 76 98 - 77 - ~10546=30, 9873/3.0=19...(10) QG1 VAL 132 + HB2 PHE 89 OK 68 92 - 75 - 10546/2.7=39...(7) HG2 LYS 39 + HB2 PHE 89 OK 40 100 - 40 - ~9880=11, 9873/3.0=10...(6) QG2 THR 115 - HB2 PHE 89 lone 9 100 - 8 - 9877/1.8=2, 9873/3.0=2...(5) HB3 LEU 62 - HB2 PHE 89 lone 4 65 - 6 - 9873/3.0=2, 9867/3.5=2 Peak 9876 from cnoeabs.peaks (0.26, 3.31, 39.75 ppm; 5.37 A): 1 out of 1 assignment used, quality = 0.56: QD1 ILE 80 + HB2 PHE 89 OK 56 73 - 77 - 9878/1.8=38, 9724=19...(9) Peak 9877 from cnoeabs.peaks (1.14, 3.33, 39.75 ppm; 4.73 A): 3 out of 5 assignments used, quality = 0.95: QG2 VAL 132 + HB3 PHE 89 OK 76 98 - 77 - ~10546=30, 9873/3.0=19...(10) QG1 VAL 132 + HB3 PHE 89 OK 68 92 - 74 - 10546/2.7=39...(7) HG2 LYS 39 + HB3 PHE 89 OK 40 100 - 40 - ~9880=11, 9873/3.0=10...(6) QG2 THR 115 - HB3 PHE 89 lone 9 100 - 8 - 9875/1.8=2, 9873/3.0=2...(5) HB3 LEU 62 - HB3 PHE 89 lone 4 65 - 6 - 9873/3.0=2, 9867/3.5=2 Peak 9878 from cnoeabs.peaks (0.26, 3.33, 39.75 ppm; 5.28 A): 1 out of 1 assignment used, quality = 0.82: QD1 ILE 80 + HB3 PHE 89 OK 82 96 - 86 - 9724/1.8=39, 9874/3.0=29...(9) Peak 9880 from cnoeabs.peaks (1.16, 7.07, 131.30 ppm; 5.08 A): 2 out of 4 assignments used, quality = 0.53: HG3 LYS 39 + QD PHE 89 OK 33 87 - 38 - ~9873=9, 9894/5.0=8...(8) HG12 ILE 32 + QD PHE 89 OK 30 100 - 30 - 9894/5.0=16...(5) QB ALA 41 - QD PHE 89 lone 4 73 - 5 - 10567/10554=1...(3) QG2 THR 18 - QD PHE 89 lone 1 65 - 2 - Peak 9881 from cnoeabs.peaks (1.05, 7.07, 131.30 ppm; 6.14 A): 1 out of 1 assignment used, quality = 0.64: QG2 VAL 133 + QD PHE 89 OK 64 73 - 87 - 2.1/10557=48, ~11666=38...(11) Peak 9882 from cnoeabs.peaks (0.81, 7.07, 131.30 ppm; 6.80 A): 3 out of 3 assignments used, quality = 0.95: QG2 ILE 80 + QD PHE 89 OK 92 98 - 94 - ~9724=35, ~9878=34...(14) QD1 LEU 70 + QD PHE 89 OK 20 73 - 27 - 9868/4.2=7, 9497/2.7=7...(7) QD1 LEU 122 + QD PHE 89 OK 20 96 - 21 - 9868/4.2=7...(6) Peak 9883 from cnoeabs.peaks (0.29, 7.07, 131.30 ppm; 6.29 A): 1 out of 1 assignment used, quality = 0.87: QG2 VAL 93 + QD PHE 89 OK 87 96 - 91 - 11326/2.2=46, 9924=44...(7) Peak 9884 from cnoeabs.peaks (7.83, 3.79, 59.97 ppm; 5.09 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9885 from cnoeabs.peaks (7.35, 3.79, 59.97 ppm; 6.80 A): 1 out of 1 assignment used, quality = 1.00: HE ARG 90 + HA ARG 90 OK 100 100 - 100 - 5.6=100 Peak 9886 from cnoeabs.peaks (7.07, 3.79, 59.97 ppm; 5.75 A): 1 out of 1 assignment used, quality = 0.63: QD PHE 89 + HA ARG 90 OK 63 81 - 78 - 7213/2.9=37, ~7212=30...(6) Peak 9887 from cnoeabs.peaks (7.34, 1.73, 28.15 ppm; 4.46 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9888 from cnoeabs.peaks (7.08, 1.73, 28.15 ppm; 6.80 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9890 from cnoeabs.peaks (7.35, 2.02, 28.15 ppm; 4.68 A): 1 out of 1 assignment used, quality = 0.96: HE ARG 90 + HG2 ARG 90 OK 96 96 - 100 - 4.0=100 Peak 9891 from cnoeabs.peaks (7.35, 3.17, 43.40 ppm; 3.14 A): 2 out of 2 assignments used, quality = 1.00: * HE ARG 90 + HD3 ARG 90 OK 100 100 - 100 - 2.9=100 HE ARG 90 + HD2 ARG 90 OK 96 96 - 100 - 2.9=100 Peak 9892 from cnoeabs.peaks (6.73, 3.17, 43.40 ppm; 4.08 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9897 from cnoeabs.peaks (1.41, 3.79, 59.97 ppm; 4.83 A): 0 out of 3 assignments used, low quality = 0.38: HG2 LYS 86 - HA ARG 90 OK 26 73 - 36 - 3.0/2786=7, ~2662=6...(10) QB ALA 34 - HA ARG 90 OK 17 87 - 19 - 2.9/2792=8, 10877/3.0=2...(7) QB ALA 16 - HA ARG 90 lone 2 73 - 3 - 9713/2788=2 Peak 9898 from cnoeabs.peaks (1.17, 3.79, 59.97 ppm; 5.64 A): 3 out of 3 assignments used, quality = 0.76: HG12 ILE 32 + HA ARG 90 OK 59 87 - 68 - 11845/3.8=23...(7) QB ALA 41 + HA ARG 90 OK 33 99 - 33 - 11845/3.8=17...(5) QG2 THR 18 + HA ARG 90 OK 11 98 - 11 - 4.0/11296=4, 11845/3.8=3 Peak 9899 from cnoeabs.peaks (0.78, 3.79, 59.97 ppm; 4.18 A): 3 out of 6 assignments used, quality = 0.61: QD1 ILE 32 + HA ARG 90 OK 37 98 - 38 - ~9894=13, 2.1/9898=11...(5) QG1 VAL 63 + HA ARG 90 OK 26 98 - 26 - 9408/2.9=15, 2.1/2787=4...(7) QD1 ILE 37 + HA ARG 90 OK 16 100 - 16 - 9026/7249=6...(5) QD1 LEU 103 - HA ARG 90 lone 2 99 - 2 - QD1 LEU 96 - HA ARG 90 lone 1 73 - 2 - QD2 LEU 122 - HA ARG 90 lone 1 81 - 1 - Peak 9900 from cnoeabs.peaks (0.28, 3.79, 59.97 ppm; 4.21 A): 1 out of 1 assignment used, quality = 0.78: QG2 VAL 93 + HA ARG 90 OK 78 96 - 82 - 2.1/2793=31, 9953=25...(10) Peak 9906 from cnoeabs.peaks (2.87, 2.11, 35.02 ppm; 4.91 A): 2 out of 4 assignments used, quality = 0.53: HE3 LYS 95 + HG3 GLU 91 OK 31 92 - 34 - 3.0/9910=14, ~9908=14 HE2 LYS 95 + HG3 GLU 91 OK 31 92 - 34 - 3.0/9910=14, ~9908=14 HB3 ASN 59 - HG3 GLU 91 lone 4 100 - 4 - 9356/9911=2 HB3 ASP 131 - HG3 GLU 91 lone 1 65 - 1 - Peak 9908 from cnoeabs.peaks (2.88, 2.23, 35.02 ppm; 5.07 A): 2 out of 3 assignments used, quality = 0.58: HE3 LYS 95 + HG2 GLU 91 OK 35 98 - 36 - ~9906=15, ~9910=11...(5) HE2 LYS 95 + HG2 GLU 91 OK 35 98 - 36 - ~9906=15, ~9910=11...(5) HB3 ASN 59 - HG2 GLU 91 lone 4 73 - 5 - 9356/9914=2, 9906/1.8=1 Peak 9910 from cnoeabs.peaks (1.65, 2.11, 35.02 ppm; 4.35 A): 0 out of 9 assignments used, low quality = 0.41: HB2 LEU 98 - HG3 GLU 91 OK 24 87 - 28 - ~9913=12, 3.1/9912=9...(4) HD2 LYS 95 - HG3 GLU 91 OK 23 73 - 31 - 3.0/9906=12, 3.0/9906=12 HB2 LEU 123 - HG3 GLU 91 lone 6 96 - 6 - 3.0/3917=3 HD3 LYS 19 - HG3 GLU 91 lone 2 98 - 2 - HD2 LYS 19 - HG3 GLU 91 lone 2 98 - 2 - HG LEU 43 - HG3 GLU 91 lone 2 98 - 2 - HG LEU 62 - HG3 GLU 91 lone 2 99 - 2 - HG2 ARG 84 - HG3 GLU 91 lone 0 65 - 1 - HG3 ARG 84 - HG3 GLU 91 lone 0 65 - 1 - Peak 9911 from cnoeabs.peaks (1.40, 2.11, 35.02 ppm; 5.52 A): 2 out of 2 assignments used, quality = 0.53: QB ALA 16 + HG3 GLU 91 OK 35 96 - 37 - 9914/1.8=25...(3) HG LEU 96 + HG3 GLU 91 OK 27 98 - 28 - 9914/1.8=13, ~3069=3...(7) Peak 9912 from cnoeabs.peaks (0.87, 2.11, 35.02 ppm; 4.83 A): 3 out of 4 assignments used, quality = 0.56: QD1 LEU 98 + HG3 GLU 91 OK 25 81 - 31 - 9913/1.8=18, 3.1/9910=15 QD2 LEU 98 + HG3 GLU 91 OK 25 81 - 31 - ~9913=18, 3.1/9910=15 QD2 LEU 69 + HG3 GLU 91 OK 22 100 - 22 - 9913/1.8=10, 11070/3.0=7...(5) QG2 VAL 57 - HG3 GLU 91 lone 3 81 - 4 - 9913/1.8=2 Peak 9913 from cnoeabs.peaks (0.86, 2.23, 35.02 ppm; 4.30 A): 0 out of 5 assignments used, low quality = 0.32: QD1 LEU 98 - HG2 GLU 91 OK 23 100 - 23 - ~9910=8, 9912/1.8=8, ~9912=7 QD2 LEU 69 - HG2 GLU 91 OK 12 87 - 14 - 9912/1.8=7, 11070/3.0=4 QD2 LEU 70 - HG2 GLU 91 lone 3 81 - 3 - 11114/9914=1 QG2 VAL 57 - HG2 GLU 91 lone 2 100 - 2 - 9912/1.8=1 QG2 ILE 32 - HG2 GLU 91 lone 1 65 - 2 - Peak 9914 from cnoeabs.peaks (1.40, 2.23, 35.02 ppm; 5.35 A): 2 out of 2 assignments used, quality = 0.57: QB ALA 16 + HG2 GLU 91 OK 44 100 - 44 - 11309/3.0=20...(3) HG LEU 96 + HG2 GLU 91 OK 23 81 - 29 - 9911/1.8=15, 3.0/3069=2...(9) Peak 9915 from cnoeabs.peaks (4.22, 2.11, 35.02 ppm; 4.87 A): 3 out of 7 assignments used, quality = 0.52: HA ALA 34 + HG3 GLU 91 OK 27 98 - 27 - 9916/1.8=11, ~11308=10, ~11309=8 HA SER 51 + HG3 GLU 91 OK 26 92 - 28 - 9916/1.8=8, 2.9/2884=7...(6) HA ALA 29 + HG3 GLU 91 OK 11 81 - 14 - 10785/3.0=7, 9916/1.8=6 HB3 SER 38 - HG3 GLU 91 lone 8 100 - 8 - 9916/1.8=3, 9046/3.0=3 HA HIS 67 - HG3 GLU 91 lone 6 96 - 6 - 9916/1.8=3, ~9452=1 HA SER 99 - HG3 GLU 91 lone 3 96 - 4 - 9916/1.8=1 HA GLU 30 - HG3 GLU 91 lone 2 96 - 2 - Peak 9916 from cnoeabs.peaks (4.22, 2.23, 35.02 ppm; 4.17 A): 4 out of 8 assignments used, quality = 0.51: HA ALA 34 + HG2 GLU 91 OK 21 100 - 21 - 9915/1.8=8, ~11308=7, ~11309=6 HA SER 94 + HG2 GLU 91 OK 17 81 - 21 - 3.6/9975=5, 3.0/2877=4...(7) HA SER 51 + HG2 GLU 91 OK 15 65 - 23 - 9915/1.8=8, 2.9/2877=6...(6) HA ALA 29 + HG2 GLU 91 OK 12 98 - 12 - 10785/3.0=7, 9915/1.8=4 HA HIS 67 - HG2 GLU 91 lone 6 73 - 9 - 3.6/6889=2, 9915/1.8=2 HB3 SER 38 - HG2 GLU 91 lone 6 98 - 6 - 9915/1.8=3, 9046/3.0=2 HA SER 99 - HG2 GLU 91 lone 2 73 - 3 - 9915/1.8=1 HA GLU 30 - HG2 GLU 91 lone 2 100 - 2 - Peak 9917 from cnoeabs.peaks (7.32, 2.11, 35.02 ppm; 5.25 A): 0 out of 1 assignment used, low quality = 0.40: QD PHE 87 - HG3 GLU 91 OK 40 87 - 46 - 9918/1.8=34...(4) Peak 9918 from cnoeabs.peaks (7.32, 2.23, 35.02 ppm; 4.83 A): 0 out of 2 assignments used, low quality = 0.39: QD PHE 87 - HG2 GLU 91 OK 39 99 - 39 - 9917/1.8=31, 9845/4.7=5 H ARG 135 - HG2 GLU 91 lone 7 81 - 8 - 5.0/2879=3, 7984/3.0=2, ~4309=2 Peak 9920 from cnoeabs.peaks (7.83, 1.83, 31.34 ppm; 5.54 A): 1 out of 1 assignment used, quality = 0.87: H ALA 92 + HB VAL 93 OK 87 92 - 95 - 9936/2.1=41, 7265/4.0=38...(12) Peak 9922 from cnoeabs.peaks (7.80, 0.29, 23.10 ppm; 4.90 A): 0 out of 1 assignment used, low quality = 0.00: HD22 ASN 59 - QG2 VAL 93 poor 9 57 - 15 - 9539/9571=8, 11331/2.1=6 Peak 9923 from cnoeabs.peaks (7.33, 0.29, 23.10 ppm; 4.65 A): 0 out of 1 assignment used, low quality = 0.00: QD PHE 87 - QG2 VAL 93 lone 5 65 - 8 - 11334/2.1=5, 11816/9573=2 Peak 9924 from cnoeabs.peaks (7.07, 0.29, 23.10 ppm; 4.88 A): 1 out of 1 assignment used, quality = 0.78: QD PHE 89 + QG2 VAL 93 OK 78 98 - 79 - 2.2/11326=41, ~11333=23...(7) Peak 9927 from cnoeabs.peaks (3.21, 4.05, 55.00 ppm; 6.80 A): 0 out of 2 assignments used, low quality = 0.28: HB3 CYS 125 - HA ALA 92 OK 28 92 - 30 - 4.7/7788=8, 1.8/3988=7...(6) HB3 HIS 8 - HA ALA 92 lone 3 100 - 3 - Peak 9928 from cnoeabs.peaks (2.88, 4.05, 55.00 ppm; 5.07 A): 2 out of 3 assignments used, quality = 0.60: HE3 LYS 95 + HA ALA 92 OK 37 99 - 37 - 6.7/2894=16, 5.3/2895=11...(5) HE2 LYS 95 + HA ALA 92 OK 37 99 - 37 - 6.7/2894=16, 5.3/2895=11...(5) HB3 ASN 59 - HA ALA 92 lone 2 81 - 3 - Peak 9940 from cnoeabs.peaks (2.23, 4.05, 55.00 ppm; 6.80 A): 4 out of 8 assignments used, quality = 1.00: HG2 GLU 91 + HA ALA 92 OK 98 100 - 99 - 2882/2.9=50, ~2889=43...(16) HB3 GLU 128 + HA ALA 92 OK 76 98 - 77 - ~10446=29, ~10444=27...(10) HB3 GLU 102 + HA ALA 92 OK 56 100 - 55 - ~11319=12, 11315/2.1=7...(15) HB3 LEU 96 + HA ALA 92 OK 53 73 - 72 - 3074/4.9=15, 3.8/7310=14...(16) HB3 GLN 104 - HA ALA 92 OK 34 87 - 39 - ~2897=11, ~7247=9...(9) HB3 GLN 127 - HA ALA 92 OK 30 99 - 31 - ~11316=8, ~11319=7...(8) HG2 GLN 68 - HA ALA 92 OK 19 98 - 19 - 2854/4.9=4, 7254/2.9=3...(7) HB2 GLN 68 - HA ALA 92 poor 8 65 - 12 - ~7254=2, 2854/4.9=2...(5) Peak 9941 from cnoeabs.peaks (1.64, 4.05, 55.00 ppm; 4.17 A): 0 out of 6 assignments used, low quality = 0.28: HG LEU 43 - HA ALA 92 OK 17 98 - 18 - 11318/2.1=8, 9225/7278=5...(4) HG LEU 62 - HA ALA 92 OK 14 73 - 19 - 11318/2.1=8, ~9947=4...(4) HG2 ARG 84 - HA ALA 92 lone 5 98 - 5 - 11318/2.1=2, ~11318=2 HG3 ARG 84 - HA ALA 92 lone 5 98 - 5 - 11318/2.1=2, ~11318=2 HD2 LYS 19 - HA ALA 92 lone 4 65 - 6 - 11318/2.1=3, ~11318=2 HD3 LYS 19 - HA ALA 92 lone 4 65 - 6 - 11318/2.1=3, ~11318=2 Peak 9942 from cnoeabs.peaks (0.66, 4.05, 55.00 ppm; 6.80 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9944 from cnoeabs.peaks (0.66, 1.43, 18.02 ppm; 4.05 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9945 from cnoeabs.peaks (0.28, 1.43, 18.02 ppm; 4.58 A): 1 out of 1 assignment used, quality = 0.84: QG2 VAL 93 + QB ALA 92 OK 84 96 - 87 - 7270/3.7=35, 9936/3.0=34...(14) Peak 9946 from cnoeabs.peaks (0.82, 1.43, 18.02 ppm; 4.18 A): 2 out of 3 assignments used, quality = 0.85: QG2 ILE 129 + QB ALA 92 OK 77 99 - 78 - 3.2/9952=29...(11) HG13 ILE 80 + QB ALA 92 OK 33 100 - 33 - 2.1/9720=13, ~11177=6...(10) QD1 LEU 70 - QB ALA 92 lone 8 92 - 9 - 4120/9952=2...(3) Peak 9947 from cnoeabs.peaks (1.14, 1.43, 18.02 ppm; 3.97 A): 3 out of 5 assignments used, quality = 0.58: QG2 VAL 132 + QB ALA 92 OK 35 100 - 35 - 2.1/11658=15, 9933/3.0=9...(7) QG1 VAL 132 + QB ALA 92 OK 20 73 - 28 - 11658=12, ~9933=6...(7) HB3 LEU 62 + QB ALA 92 OK 20 87 - 23 - 1.8/11316=7, 3.0/11318=6...(4) HG2 LYS 39 - QB ALA 92 poor 10 96 - 10 - 9873/2897=3...(3) QG2 THR 115 - QB ALA 92 lone 5 96 - 5 - 9933/3.0=3 Peak 9948 from cnoeabs.peaks (1.96, 1.43, 18.02 ppm; 4.25 A): 3 out of 4 assignments used, quality = 0.45: HB2 GLN 27 + QB ALA 92 OK 23 96 - 25 - 3.0/11319=8, 3.0/11319=7...(4) HB ILE 37 + QB ALA 92 OK 18 81 - 22 - ~9026=12, 9964/3.7=8 HB3 LYS 86 + QB ALA 92 OK 13 87 - 15 - 9721/9720=2, 2641=1...(5) HB2 GLU 30 - QB ALA 92 lone 2 92 - 2 - Peak 9949 from cnoeabs.peaks (2.40, 1.43, 18.02 ppm; 4.26 A): 0 out of 3 assignments used, low quality = 0.11: HG3 GLU 55 - QB ALA 92 OK 11 87 - 13 - 3.0/11316=8, ~7252=2, ~7253=2 HG3 GLU 40 - QB ALA 92 lone 3 65 - 4 - 11657/9947=2 HB3 PRO 58 - QB ALA 92 lone 2 65 - 3 - ~7253=2 Peak 9951 from cnoeabs.peaks (3.24, 1.43, 18.02 ppm; 5.20 A): 0 out of 5 assignments used, low quality = 0.00: HD3 ARG 135 - QB ALA 92 lone 7 92 - 8 - ~7253=2, 10640/11658=2 HB3 PHE 87 - QB ALA 92 lone 3 92 - 3 - 4.0/7158=2 HB2 PHE 87 - QB ALA 92 lone 2 65 - 3 - 4.0/7158=2 HB2 HIS 5 - QB ALA 92 lone 1 81 - 1 - HB3 HIS 4 - QB ALA 92 lone 1 81 - 1 - Peak 9952 from cnoeabs.peaks (3.46, 1.43, 18.02 ppm; 4.18 A): 1 out of 1 assignment used, quality = 0.73: HA ILE 129 + QB ALA 92 OK 73 99 - 74 - 10478=25, 3.2/9946=19...(12) Peak 9953 from cnoeabs.peaks (3.80, 0.29, 23.10 ppm; 4.43 A): 3 out of 3 assignments used, quality = 0.86: HA ARG 90 + QG2 VAL 93 OK 81 92 - 88 - 9900=39, 2793/2.1=29...(9) HB2 SER 9 + QG2 VAL 93 OK 17 92 - 18 - 9962/2.1=6, ~9962=4...(5) HB3 SER 9 + QG2 VAL 93 OK 11 87 - 12 - ~9962=5, 9962/2.1=5, ~2911=3 Peak 9954 from cnoeabs.peaks (4.06, 0.29, 23.10 ppm; 5.19 A): 2 out of 5 assignments used, quality = 0.65: HA ALA 92 + QG2 VAL 93 OK 61 65 - 93 - 3.6/7270=44, 2.9/9936=43...(11) HA GLU 102 + QG2 VAL 93 OK 11 87 - 12 - ~9973=3, ~2910=2...(5) HA GLU 44 - QG2 VAL 93 lone 7 73 - 9 - ~6524=5 HA LEU 122 - QG2 VAL 93 lone 4 81 - 5 - HB THR 65 - QG2 VAL 93 lone 1 65 - 2 - Peak 9955 from cnoeabs.peaks (4.36, 0.29, 23.10 ppm; 5.54 A): 2 out of 3 assignments used, quality = 0.50: HA CYS 125 + QG2 VAL 93 OK 31 98 - 31 - 10379/10487=12...(7) HA GLN 134 + QG2 VAL 93 OK 28 92 - 31 - 11682/2.1=11, ~10593=10...(5) HA PRO 117 - QG2 VAL 93 lone 3 65 - 4 - 11787/9922=3 Peak 9958 from cnoeabs.peaks (2.93, 0.29, 23.10 ppm; 5.19 A): 3 out of 5 assignments used, quality = 0.82: HG CYS 73 + QG2 VAL 93 OK 66 87 - 76 - 3.4/9573=27, 4.6/9571=22...(9) HE2 LYS 39 + QG2 VAL 93 OK 28 100 - 28 - ~9960=11, 9960/2.1=6...(5) HE3 LYS 39 + QG2 VAL 93 OK 27 98 - 27 - ~9960=8, 9960/2.1=8...(5) HD2 ARG 135 - QG2 VAL 93 lone 5 73 - 6 - 9558/9573=1...(3) HB3 ASN 116 - QG2 VAL 93 lone 3 98 - 3 - Peak 9959 from cnoeabs.peaks (2.74, 0.29, 23.10 ppm; 4.16 A): 4 out of 5 assignments used, quality = 0.82: HB2 CYS 73 + QG2 VAL 93 OK 68 92 - 74 - 9573=19, 3.0/9571=19...(12) HB3 ASP 78 + QG2 VAL 93 OK 22 92 - 24 - 4.3/9699=18, 9693/9648=3...(4) HB2 CYS 125 + QG2 VAL 93 OK 18 81 - 23 - 3.0/9955=10...(6) HB3 ASP 35 + QG2 VAL 93 OK 11 81 - 14 - 4.7/2923=3, 9961/2.1=3 HB2 ASP 64 - QG2 VAL 93 lone 4 73 - 5 - Peak 9960 from cnoeabs.peaks (2.92, 0.75, 21.32 ppm; 6.80 A): 0 out of 2 assignments used, low quality = 0.32: HE3 LYS 39 - QG1 VAL 93 OK 20 96 - 21 - ~9958=10, 9958/2.1=6 HE2 LYS 39 - QG1 VAL 93 OK 15 73 - 20 - ~9958=9, 9958/2.1=7 Peak 9961 from cnoeabs.peaks (2.75, 0.75, 21.32 ppm; 4.61 A): 2 out of 4 assignments used, quality = 0.66: HB2 CYS 73 + QG1 VAL 93 OK 60 98 - 62 - 9573/2.1=30, ~9581=21...(7) HB3 ASP 35 + QG1 VAL 93 OK 14 100 - 14 - 972/4.3=5, 4.7/2929=4...(4) HB2 ASP 64 - QG1 VAL 93 lone 2 100 - 2 - HB2 TYR 76 - QG1 VAL 93 lone 2 73 - 2 - Peak 9962 from cnoeabs.peaks (3.80, 0.75, 21.32 ppm; 5.08 A): 3 out of 3 assignments used, quality = 0.70: HA ARG 90 + QG1 VAL 93 OK 57 73 - 78 - 9953/2.1=31, ~9896=26...(7) HB2 SER 9 + QG1 VAL 93 OK 18 99 - 18 - 9953/2.1=7, ~9953=3...(5) HB3 SER 9 + QG1 VAL 93 OK 14 98 - 14 - ~9953=5, 9953/2.1=4, ~2911=4 Peak 9963 from cnoeabs.peaks (4.24, 0.75, 21.32 ppm; 4.88 A): 2 out of 5 assignments used, quality = 0.65: HA SER 94 + QG1 VAL 93 OK 56 73 - 76 - 2.9/2929=32, ~7282=28...(8) HA ALA 28 + QG1 VAL 93 OK 21 98 - 21 - ~10769=18, ~2909=2 HA ARG 84 - QG1 VAL 93 lone 4 81 - 4 - 3.9/11324=2, 3.9/11324=2 HA SER 124 - QG1 VAL 93 lone 3 100 - 2 - HA GLN 27 - QG1 VAL 93 lone 1 98 - 1 - Peak 9966 from cnoeabs.peaks (0.65, 3.25, 66.81 ppm; 4.87 A): 1 out of 1 assignment used, quality = 0.87: QD1 ILE 129 + HA VAL 93 OK 87 96 - 91 - 10461=41, 10487/3.2=40...(17) Peak 9967 from cnoeabs.peaks (0.64, 0.29, 23.10 ppm; 3.57 A): 2 out of 2 assignments used, quality = 0.83: QD1 ILE 129 + QG2 VAL 93 OK 73 92 - 79 - 10487=36, 10461/3.2=19...(20) QD1 LEU 42 + QG2 VAL 93 OK 39 99 - 40 - 9079=13, 11800/11326=7...(10) Peak 9970 from cnoeabs.peaks (1.42, 0.29, 23.10 ppm; 4.11 A): 3 out of 4 assignments used, quality = 0.88: QB ALA 92 + QG2 VAL 93 OK 78 92 - 85 - 3.7/7270=31, 3.0/9936=30...(14) QB ALA 34 + QG2 VAL 93 OK 32 87 - 37 - 9974/2.1=11, 2.9/2918=8...(7) HG2 LYS 86 + QG2 VAL 93 OK 21 96 - 22 - 9826=6, 9974/2.1=6...(7) HG2 LYS 26 - QG2 VAL 93 poor 9 73 - 11 - 10491/10487=3...(4) Peak 9971 from cnoeabs.peaks (2.24, 0.29, 23.10 ppm; 6.21 A): 1 out of 1 assignment used, quality = 0.75: HB3 LEU 96 + QG2 VAL 93 OK 75 81 - 93 - 3.8/9983=36, 4.4/9995=27...(18) Peak 9972 from cnoeabs.peaks (2.42, 0.75, 21.32 ppm; 4.55 A): 0 out of 4 assignments used, low quality = 0.37: HG3 GLU 97 - QG1 VAL 93 OK 27 100 - 27 - 11849=11, 4.6/7342=8...(5) HG2 GLN 101 - QG1 VAL 93 OK 14 99 - 14 - 4.7/11332=11 HG3 GLU 128 - QG1 VAL 93 lone 8 100 - 8 - 3.0/9973=3, 4116/7871=2 HG3 GLN 61 - QG1 VAL 93 lone 1 73 - 1 - Peak 9973 from cnoeabs.peaks (2.23, 0.75, 21.32 ppm; 4.23 A): 3 out of 6 assignments used, quality = 0.80: HB3 LEU 96 + QG1 VAL 93 OK 74 99 - 75 - 3080=15, 3.8/11330=13...(16) HG2 GLU 91 + QG1 VAL 93 OK 11 81 - 14 - 9926/3.9=4, 2882/9934=2...(5) HB3 GLU 102 + QG1 VAL 93 OK 10 92 - 11 - 2910/3.2=2, ~9954=2, 9926/3.9=2 HB3 GLU 128 - QG1 VAL 93 poor 10 65 - 15 - 4.5/7871=5, 3.0/9972=5 HG2 GLN 68 - QG1 VAL 93 lone 6 98 - 6 - 2910/3.2=1, 9926/3.9=1 HB3 GLN 127 - QG1 VAL 93 lone 3 73 - 4 - Peak 9974 from cnoeabs.peaks (1.42, 0.75, 21.32 ppm; 4.19 A): 3 out of 3 assignments used, quality = 0.72: QB ALA 92 + QG1 VAL 93 OK 47 65 - 72 - 3.7/2924=20, ~9936=19...(12) QB ALA 34 + QG1 VAL 93 OK 36 99 - 36 - 2.9/2924=8, 9970/2.1=8...(7) HG2 LYS 86 + QG1 VAL 93 OK 18 100 - 18 - 9826/2.1=12, 10481/4140=1 Peak 9986 from cnoeabs.peaks (2.75, 0.77, 23.84 ppm; 4.37 A): 2 out of 5 assignments used, quality = 0.72: HB2 CYS 73 + QD1 LEU 96 OK 56 99 - 56 - 1.8/9579=15, 3.8/9564=14...(7) HB2 CYS 125 + QD1 LEU 96 OK 37 57 - 64 - 1.8/10387=35, ~10385=22...(5) HB3 ASP 35 - QD1 LEU 96 lone 4 96 - 4 - HB2 ASP 64 - QD1 LEU 96 lone 3 92 - 3 - HB3 ASP 78 - QD1 LEU 96 lone 2 73 - 2 - Peak 9987 from cnoeabs.peaks (3.21, 0.77, 23.84 ppm; 4.63 A): 1 out of 2 assignments used, quality = 0.69: HB3 CYS 125 + QD1 LEU 96 OK 69 96 - 72 - 10387=37, 10385/2.1=31...(5) HB3 HIS 8 - QD1 LEU 96 lone 1 100 - 1 - Peak 10000 from cnoeabs.peaks (0.83, 3.76, 59.92 ppm; 3.55 A): 1 out of 3 assignments used, quality = 0.55: QG1 VAL 133 + HA GLU 97 OK 55 81 - 68 - 10005/3.8=22...(13) QG2 ILE 129 - HA GLU 97 lone 4 73 - 5 - ~9994=3, ~7342=1 HG13 ILE 80 - HA GLU 97 lone 1 87 - 1 - Peak 10001 from cnoeabs.peaks (0.61, 3.76, 59.92 ppm; 4.12 A): 1 out of 1 assignment used, quality = 0.62: QD1 LEU 100 + HA GLU 97 OK 62 92 - 67 - 4.9/3114=18, 3.2/3115=17...(11) Peak 10002 from cnoeabs.peaks (0.84, 2.14, 28.66 ppm; 3.83 A): 2 out of 2 assignments used, quality = 0.81: QG1 VAL 133 + HB2 GLU 97 OK 78 99 - 79 - 10003/1.8=31...(12) QD2 LEU 22 + HB2 GLU 97 OK 11 98 - 11 - 10003/1.8=4, 10004/2.9=4...(4) Peak 10003 from cnoeabs.peaks (0.83, 2.21, 28.66 ppm; 3.85 A): 2 out of 2 assignments used, quality = 0.84: QG1 VAL 133 + HB3 GLU 97 OK 83 100 - 83 - 10002/1.8=31...(12) QD2 LEU 22 + HB3 GLU 97 OK 10 87 - 11 - 10002/1.8=5, 10004/2.9=4...(4) Peak 10004 from cnoeabs.peaks (0.83, 2.27, 35.12 ppm; 3.41 A): 1 out of 2 assignments used, quality = 0.72: QG1 VAL 133 + HG2 GLU 97 OK 72 100 - 72 - 10005/1.8=32...(11) QD2 LEU 22 - HG2 GLU 97 lone 9 87 - 10 - 10002/2.9=3, 10003/2.9=3...(4) Peak 10005 from cnoeabs.peaks (0.83, 2.42, 35.12 ppm; 3.40 A): 1 out of 2 assignments used, quality = 0.63: QG1 VAL 133 + HG3 GLU 97 OK 63 92 - 68 - 10004/1.8=28...(12) HG13 ILE 80 - HG3 GLU 97 lone 2 73 - 2 - Peak 10010 from cnoeabs.peaks (1.40, 2.42, 35.12 ppm; 5.07 A): 2 out of 2 assignments used, quality = 0.80: HG LEU 96 + HG3 GLU 97 OK 73 92 - 79 - 2.1/11849=29, ~11695=25...(10) QB ALA 16 + HG3 GLU 97 OK 28 99 - 27 - 11363/2.9=11...(5) Peak 10011 from cnoeabs.peaks (0.62, 2.42, 35.12 ppm; 5.44 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10012 from cnoeabs.peaks (0.61, 2.27, 35.12 ppm; 5.56 A): 1 out of 1 assignment used, quality = 0.62: QD1 LEU 100 + HG2 GLU 97 OK 62 92 - 67 - 10001/3.8=41, ~10033=23...(4) Peak 10019 from cnoeabs.peaks (3.51, 1.71, 27.30 ppm; 4.52 A): 1 out of 1 assignment used, quality = 0.74: HA VAL 132 + HG2 ARG 135 OK 74 87 - 85 - 11687/1.8=26...(12) Peak 10020 from cnoeabs.peaks (8.49, 1.65, 41.76 ppm; 6.22 A): 1 out of 2 assignments used, quality = 0.98: H LEU 100 + HB2 LEU 98 OK 98 100 - 98 - 7369/3.9=41, ~3155=29...(24) H SER 9 - HB2 LEU 98 OK 17 100 - 17 - 7385/4.6=7, 7369/3.9=6 Peak 10021 from cnoeabs.peaks (8.50, 1.71, 26.74 ppm; 4.62 A): 2 out of 4 assignments used, quality = 0.47: H GLU 97 + HG LEU 98 OK 40 99 - 41 - 3.9/3176=24, 9998/3.0=11...(4) H GLU 97 + HG LEU 48 OK 11 62 - 18 - 3.9/3176=9, 9998/3.0=4 H SER 9 - HG LEU 98 lone 2 57 - 4 - 7369/5.1=1 H SER 9 - HG LEU 48 lone 0 30 - 1 - Peak 10022 from cnoeabs.peaks (1.78, 3.76, 63.21 ppm; 5.36 A): 3 out of 3 assignments used, quality = 0.89: HB3 LEU 98 + HB2 SER 99 OK 67 99 - 67 - 3175/3.7=23...(10) HG LEU 100 + HB2 SER 99 OK 52 87 - 60 - 7399/4.5=18...(10) HB2 LEU 48 + HB2 SER 99 OK 30 99 - 30 - 7378/3.7=8, 11375/1.8=7...(6) Peak 10023 from cnoeabs.peaks (1.76, 4.22, 62.42 ppm; 5.61 A): 0 out of 4 assignments used, low quality = 0.16: HB2 LYS 39 - HA SER 99 OK 16 98 - 16 - 1.8/3206=9, 3.9/6435=3 HB2 ARG 23 - HA SER 99 lone 6 98 - 6 - ~11376=3 HB2 LYS 26 - HA SER 99 lone 2 73 - 2 - HB2 LYS 19 - HA SER 99 lone 1 73 - 2 - Peak 10024 from cnoeabs.peaks (3.64, 0.68, 23.54 ppm; 3.43 A): 2 out of 2 assignments used, quality = 0.57: HA3 GLY 66 + QD2 LEU 100 OK 40 98 - 41 - 10035/2.1=18, ~10045=10...(6) HA2 GLY 66 + QD2 LEU 100 OK 29 73 - 40 - ~10035=16, ~10045=10...(5) Peak 10025 from cnoeabs.peaks (2.23, 0.68, 23.54 ppm; 4.26 A): 0 out of 7 assignments used, low quality = 0.37: HB3 LEU 96 - QD2 LEU 100 OK 20 87 - 24 - 1.8/3260=5, ~3268=4...(10) HG2 GLN 68 - QD2 LEU 100 OK 11 100 - 11 - 9481/11919=6, ~10030=2, ~10029=1 HB3 GLN 127 - QD2 LEU 100 OK 11 96 - 11 - 3.0/3258=1, 4050/6809=1...(4) HB3 GLU 128 - QD2 LEU 100 lone 9 92 - 10 - 3.0/10033=4, 11626/11387=1 HB3 GLN 104 - QD2 LEU 100 lone 6 73 - 8 - ~11445=2, 11436/11387=1 HB3 GLU 102 - QD2 LEU 100 lone 2 100 - 2 - HG2 GLU 91 - QD2 LEU 100 lone 1 98 - 1 - Peak 10028 from cnoeabs.peaks (2.20, 3.96, 57.71 ppm; 5.52 A): 4 out of 4 assignments used, quality = 0.76: HB2 GLN 101 + HA LEU 100 OK 49 81 - 61 - 3286/3.6=26, ~11392=20...(6) HB VAL 133 + HA LEU 100 OK 28 65 - 43 - ~11385=29, ~3231=6...(8) HB2 GLN 104 + HA LEU 100 OK 20 57 - 35 - 3.9/7481=14, 3283/4.9=11...(7) HB2 GLN 82 + HA LEU 100 OK 16 98 - 16 - 7417/3.6=8, 3275/4.9=6 Peak 10029 from cnoeabs.peaks (2.22, 1.82, 41.28 ppm; 5.44 A): 6 out of 16 assignments used, quality = 0.91: HB3 GLU 97 + HB2 LEU 100 OK 72 87 - 83 - 3.0/3115=26, ~10001=25...(11) HB3 GLN 127 + HB3 LEU 123 OK 29 54 - 53 - ~11578=23, ~11581=18...(6) HB2 GLN 68 + HB2 LEU 100 OK 22 98 - 23 - 10027/3.9=6, ~10025=5...(6) HB3 GLN 104 + HB2 LEU 100 OK 18 100 - 18 - ~11445=5, ~10028=5...(6) HB3 GLN 127 + HB2 LEU 100 OK 17 96 - 18 - 10025/3.2=4, 10027/3.9=2...(8) HB3 GLU 128 + HB2 LEU 100 OK 11 98 - 11 - 10025/3.2=3, ~10033=3 HB3 GLN 104 - HB3 LEU 123 poor 8 61 - 12 - ~11581=5, ~11578=3, ~11442=3 HG2 GLN 68 - HB2 LEU 100 poor 8 65 - 12 - 10025/3.2=4, ~10030=3...(4) HG2 GLU 91 - HB3 LEU 123 lone 5 51 - 9 - ~9910=4, ~3917=3 HB2 GLN 68 - HB3 LEU 123 lone 4 57 - 8 - ~11048=2, ~10349=1, ~11772=1 HB3 GLU 97 - HB3 LEU 123 lone 3 47 - 6 - 3.0/3115=2, 10027/3232=1 HG2 GLU 91 - HB2 LEU 100 lone 3 92 - 3 - HB3 GLU 102 - HB2 LEU 100 lone 3 81 - 3 - 11546/10260=1 HG2 GLN 68 - HB3 LEU 123 lone 1 33 - 4 - ~11048=2 HB3 GLU 128 - HB3 LEU 123 lone 1 57 - 2 - HB3 GLU 102 - HB3 LEU 123 lone 1 42 - 2 - Peak 10030 from cnoeabs.peaks (2.21, 0.60, 25.62 ppm; 4.74 A): 3 out of 4 assignments used, quality = 0.85: HB3 GLU 97 + QD1 LEU 100 OK 74 99 - 75 - 3.0/10001=32...(11) HB2 GLN 101 + QD1 LEU 100 OK 30 73 - 41 - 4.0/7415=28, ~10053=7...(6) HB2 GLN 68 + QD1 LEU 100 OK 18 92 - 19 - ~10025=4, 10027/4.9=4...(8) HB3 GLN 104 - QD1 LEU 100 poor 8 73 - 11 - ~11445=3, 10027/4.9=2 Peak 10033 from cnoeabs.peaks (2.41, 0.68, 23.54 ppm; 4.53 A): 0 out of 4 assignments used, low quality = 0.26: HG3 GLU 97 - QD2 LEU 100 OK 26 73 - 35 - ~10012=21, ~10030=11...(4) HB3 PRO 58 - QD2 LEU 100 lone 6 100 - 6 - 9331/6795=3, 9330/9461=1 HG3 GLU 128 - QD2 LEU 100 lone 5 65 - 8 - 3.0/10025=5 HG3 GLN 61 - QD2 LEU 100 lone 5 100 - 5 - 1960/6795=4 Peak 10034 from cnoeabs.peaks (3.37, 0.60, 25.62 ppm; 4.45 A): 1 out of 1 assignment used, quality = 0.66: HA VAL 63 + QD1 LEU 100 OK 66 100 - 66 - 9397/2.1=19, 9399/2.1=18...(10) Peak 10035 from cnoeabs.peaks (3.64, 0.60, 25.62 ppm; 4.17 A): 0 out of 2 assignments used, low quality = 0.43: HA3 GLY 66 - QD1 LEU 100 OK 43 65 - 66 - 2.9/10045=23...(9) HD3 PRO 56 - QD1 LEU 100 lone 1 81 - 1 - Peak 10036 from cnoeabs.peaks (3.77, 0.60, 25.62 ppm; 4.25 A): 4 out of 4 assignments used, quality = 0.54: HB3 SER 130 + QD1 LEU 100 OK 19 100 - 19 - 4.6/10043=8...(5) HA LEU 43 + QD1 LEU 100 OK 18 81 - 22 - 3.0/10945=16...(3) HA SER 130 + QD1 LEU 100 OK 17 73 - 24 - 3.6/10043=10...(5) HA VAL 133 + QD1 LEU 100 OK 15 81 - 19 - ~11385=12, 11103/11115=2 Peak 10037 from cnoeabs.peaks (4.21, 0.60, 25.62 ppm; 4.90 A): 3 out of 5 assignments used, quality = 0.81: HA HIS 67 + QD1 LEU 100 OK 55 73 - 74 - 2.9/10042=32...(9) HA SER 99 + QD1 LEU 100 OK 49 73 - 67 - 3.6/7401=36, ~11375=8...(13) HB THR 25 + QD1 LEU 100 OK 17 73 - 23 - ~11128=19, 10691/3.2=2 HA SER 51 - QD1 LEU 100 poor 10 81 - 12 - 11104/11115=3...(5) HA ALA 88 - QD1 LEU 100 lone 3 87 - 4 - Peak 10038 from cnoeabs.peaks (4.18, 0.68, 23.54 ppm; 3.81 A): 0 out of 3 assignments used, low quality = 0.12: HA LEU 53 - QD2 LEU 100 OK 12 81 - 15 - 9252=9, 4.3/9253=4, 11002/2010=1 HA VAL 105 - QD2 LEU 100 lone 3 92 - 3 - 10081/3.2=1, ~10084=1 HB THR 18 - QD2 LEU 100 lone 1 73 - 2 - ~10697=1 Peak 10039 from cnoeabs.peaks (3.78, 3.96, 57.71 ppm; 6.41 A): 3 out of 3 assignments used, quality = 0.49: HA SER 130 + HA LEU 100 OK 21 96 - 22 - 10036/4.0=10, 3.0/4181=3...(6) HB3 SER 130 + HA LEU 100 OK 20 96 - 21 - 10036/4.0=11, 4181=3...(5) HA LEU 43 + HA LEU 100 OK 20 98 - 20 - 10036/4.0=11, ~7392=5, ~6500=4 Peak 10042 from cnoeabs.peaks (8.64, 0.60, 25.62 ppm; 5.11 A): 1 out of 1 assignment used, quality = 0.46: H HIS 67 + QD1 LEU 100 OK 46 57 - 79 - 3.6/10035=37...(10) Peak 10043 from cnoeabs.peaks (8.27, 0.60, 25.62 ppm; 5.29 A): 2 out of 3 assignments used, quality = 0.52: H ASP 131 + QD1 LEU 100 OK 33 96 - 34 - 3.6/10036=10...(6) H LEU 96 + QD1 LEU 100 OK 29 100 - 29 - 11355/11115=9...(6) H GLU 40 - QD1 LEU 100 lone 4 87 - 5 - 11034/10037=2 Peak 10044 from cnoeabs.peaks (7.15, 0.60, 25.62 ppm; 4.34 A): 2 out of 2 assignments used, quality = 0.60: HD2 HIS 67 + QD1 LEU 100 OK 53 96 - 55 - 9472=32, 6.2/10042=13...(7) QD TYR 72 + QD1 LEU 100 OK 14 100 - 14 - 11096/9487=4...(6) Peak 10045 from cnoeabs.peaks (8.90, 0.60, 25.62 ppm; 5.12 A): 1 out of 1 assignment used, quality = 0.74: H GLY 66 + QD1 LEU 100 OK 74 92 - 81 - 2.9/10035=41...(9) Peak 10046 from cnoeabs.peaks (7.90, 3.96, 57.71 ppm; 6.80 A): 2 out of 3 assignments used, quality = 0.81: H GLN 104 + HA LEU 100 OK 66 87 - 76 - 4.6/3230=25, 7482/4.9=23...(10) H SER 106 + HA LEU 100 OK 43 96 - 45 - ~11465=18, 3282/4.9=8...(11) H THR 115 - HA LEU 100 lone 7 99 - 7 - 4.6/10197=2 Peak 10048 from cnoeabs.peaks (1.39, 4.10, 58.80 ppm; 4.89 A): 2 out of 15 assignments used, quality = 0.53: HB3 LEU 100 + HA GLN 101 OK 47 65 - 72 - ~7415=19, ~3264=16...(11) HG2 LYS 36 + HA GLN 101 OK 10 73 - 14 - 3.0/11399=4...(5) QB ALA 108 - HA GLN 101 lone 8 96 - 8 - ~7424=3, 7412/2.9=1 HG3 LYS 31 - HA GLN 101 lone 8 99 - 8 - 3.0/11399=5 HB2 LEU 96 - HA GLN 101 lone 6 73 - 9 - 7412/2.9=3, 3067/4.8=2 HG3 LYS 26 - HA GLN 101 lone 6 81 - 8 - 7412/2.9=2, ~7411=1 HG2 LYS 24 - HA GLN 101 lone 6 65 - 9 - 2.9/11399=4, 7412/2.9=1 QB ALA 109 - HA GLN 101 lone 5 100 - 5 - ~7424=2 QB ALA 110 - HA GLN 101 lone 5 87 - 5 - 11488/11401=1 HG2 LYS 95 - HA GLN 101 lone 4 100 - 4 - HG3 LYS 95 - HA GLN 101 lone 4 98 - 4 - HG LEU 96 - HA GLN 101 lone 4 65 - 6 - ~7412=2, 3084/4.8=1 QB ALA 28 - HA GLN 101 lone 4 92 - 4 - QB ALA 29 - HA GLN 101 lone 3 73 - 4 - QB ALA 15 - HA GLN 101 lone 2 87 - 3 - Peak 10049 from cnoeabs.peaks (0.88, 2.30, 27.91 ppm; 4.70 A): 2 out of 2 assignments used, quality = 0.94: QD2 LEU 98 + HB3 GLN 101 OK 78 92 - 85 - 4.0/3157=33...(15) QD2 LEU 123 + HB3 GLN 101 OK 71 98 - 73 - 11575/4.5=23...(10) Peak 10050 from cnoeabs.peaks (1.22, 2.21, 27.91 ppm; 6.18 A): 1 out of 1 assignment used, quality = 0.46: QG2 THR 65 + HB2 GLN 101 OK 46 87 - 53 - ~11023=35, ~11394=21...(4) Peak 10051 from cnoeabs.peaks (1.79, 2.56, 33.80 ppm; 5.15 A): 2 out of 6 assignments used, quality = 0.94: HB3 LEU 98 + HG3 GLN 101 OK 91 100 - 91 - 3.1/10055=34, ~3157=24...(17) HG LEU 100 + HG3 GLN 101 OK 28 65 - 43 - 5.1/11392=20...(5) HB2 LEU 48 - HG3 GLN 101 OK 21 92 - 23 - 3195/10055=5, 7413/4.7=4...(10) HB2 LYS 86 - HG3 GLN 101 OK 11 65 - 17 - ~11405=10, 3.5/10052=2...(4) HB3 LEU 122 - HG3 GLN 101 OK 11 73 - 15 - 3.1/11409=9...(3) HB3 LEU 103 - HG3 GLN 101 lone 8 81 - 10 - 11410/7451=5, 3195/10055=1 Peak 10052 from cnoeabs.peaks (1.66, 2.56, 33.80 ppm; 5.82 A): 3 out of 13 assignments used, quality = 0.94: HB2 LEU 98 + HG3 GLN 101 OK 77 81 - 95 - 3.1/10055=38, ~3157=31...(16) QB ALA 88 + HG3 GLN 101 OK 61 99 - 61 - 11293/3.8=26, ~11820=14...(8) HB2 LEU 123 + HG3 GLN 101 OK 34 65 - 52 - ~10056=18, ~11407=14...(7) HD2 LYS 26 - HG3 GLN 101 OK 25 100 - 25 - ~11405=13, 2.9/10053=6...(4) HD3 LYS 26 - HG3 GLN 101 OK 25 100 - 25 - ~11405=13, 2.9/10053=6...(4) HD3 LYS 86 - HG3 GLN 101 OK 22 100 - 22 - ~11405=12, ~11406=3...(4) HD2 LYS 86 - HG3 GLN 101 OK 22 100 - 22 - ~11405=12, ~11406=3...(4) HD3 LYS 24 - HG3 GLN 101 lone 6 100 - 6 - 3.0/10053=2 HD2 LYS 24 - HG3 GLN 101 lone 6 99 - 6 - 3.0/10053=2 HD3 LYS 95 - HG3 GLN 101 lone 5 100 - 5 - HD2 LYS 95 - HG3 GLN 101 lone 5 92 - 6 - HD3 LYS 31 - HG3 GLN 101 lone 4 100 - 4 - HD2 LYS 31 - HG3 GLN 101 lone 4 99 - 4 - Peak 10053 from cnoeabs.peaks (1.38, 2.56, 33.80 ppm; 6.18 A): 2 out of 12 assignments used, quality = 0.79: HB3 LEU 100 + HG3 GLN 101 OK 72 98 - 73 - 4.6/7420=44...(6) HG3 LYS 26 + HG3 GLN 101 OK 26 92 - 29 - ~11405=17, 2.9/10052=3...(5) HG2 LYS 36 - HG3 GLN 101 lone 8 96 - 9 - 7412/4.7=4, 10900/10055=2 HB2 LEU 96 - HG3 GLN 101 lone 8 96 - 8 - 7412/4.7=4, 7398/11392=1 HG2 LYS 24 - HG3 GLN 101 lone 7 98 - 7 - 7412/4.7=2 HB2 LEU 42 - HG3 GLN 101 lone 4 99 - 4 - 7412/4.7=2 QB ALA 108 - HG3 GLN 101 lone 4 73 - 5 - 7412/4.7=2 HG3 LYS 95 - HG3 GLN 101 lone 4 65 - 6 - QB ALA 29 - HG3 GLN 101 lone 3 96 - 3 - QB ALA 110 - HG3 GLN 101 lone 3 87 - 4 - 7412/4.7=1 QB ALA 28 - HG3 GLN 101 lone 2 81 - 3 - QB ALA 15 - HG3 GLN 101 lone 2 87 - 3 - Peak 10054 from cnoeabs.peaks (0.99, 2.56, 33.80 ppm; 4.37 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10055 from cnoeabs.peaks (0.87, 2.56, 33.80 ppm; 4.30 A): 2 out of 2 assignments used, quality = 0.70: QD2 LEU 98 + HG3 GLN 101 OK 66 98 - 68 - 10057/3.5=25...(10) QD2 LEU 69 + HG3 GLN 101 OK 13 96 - 13 - 10057/3.5=7, 10059/3.5=5 Peak 10056 from cnoeabs.peaks (0.88, 2.42, 33.80 ppm; 3.91 A): 2 out of 2 assignments used, quality = 0.83: QD2 LEU 98 + HG2 GLN 101 OK 61 92 - 67 - 10057/3.5=16...(11) QD2 LEU 123 + HG2 GLN 101 OK 55 98 - 56 - 11575/3.5=19...(9) Peak 10069 from cnoeabs.peaks (2.07, 0.78, 24.12 ppm; 3.73 A): 0 out of 5 assignments used, low quality = 0.00: HG3 PRO 113 - QD1 LEU 103 lone 4 73 - 5 - ~11923=2, 10141/3.2=2 HB3 LYS 39 - QD1 LEU 103 lone 2 57 - 3 - ~11721=2 HG3 PRO 58 - QD1 LEU 103 lone 2 98 - 2 - HB3 GLU 44 - QD1 LEU 103 lone 1 65 - 2 - HB3 GLN 27 - QD1 LEU 103 lone 1 73 - 1 - Peak 10081 from cnoeabs.peaks (1.38, 4.19, 62.60 ppm; 5.30 A): 7 out of 15 assignments used, quality = 0.75: HB2 LEU 96 + HA VAL 105 OK 23 98 - 23 - 10084/3.2=8, 10082/3.0=4...(6) QB ALA 108 + HA VAL 105 OK 21 100 - 21 - 2.9/11454=6, 3.7/11454=6...(5) HB2 LEU 42 + HA VAL 105 OK 17 92 - 18 - ~9072=10, 10084/3.2=6, ~9078=2 HG3 LYS 95 + HA VAL 105 OK 16 99 - 17 - 10084/3.2=5, ~10082=4...(4) QB ALA 109 + HA VAL 105 OK 16 92 - 18 - 2.9/11454=6, 10084/3.2=5...(4) HG2 LYS 95 + HA VAL 105 OK 16 96 - 17 - 10084/3.2=5, 10082/3.0=4...(4) HB3 LEU 100 + HA VAL 105 OK 15 96 - 16 - 3.2/10038=7, 10084/3.2=5 QB ALA 110 - HA VAL 105 lone 4 100 - 4 - 10084/3.2=1 QB ALA 28 - HA VAL 105 lone 3 100 - 3 - HG2 LYS 36 - HA VAL 105 lone 3 98 - 3 - HG3 LYS 26 - HA VAL 105 lone 3 99 - 3 - QB ALA 15 - HA VAL 105 lone 3 100 - 3 - QB ALA 29 - HA VAL 105 lone 3 98 - 3 - HG3 LYS 31 - HA VAL 105 lone 3 81 - 3 - 10084/3.2=1 HG2 LYS 24 - HA VAL 105 lone 2 96 - 2 - Peak 10082 from cnoeabs.peaks (1.39, 2.26, 31.98 ppm; 5.08 A): 5 out of 13 assignments used, quality = 0.48: HB2 LEU 96 + HB VAL 105 OK 14 65 - 21 - 10084/2.1=7, 3.0/3465=5...(5) HG2 LYS 95 + HB VAL 105 OK 13 99 - 13 - ~10084=4, 10084/2.1=4...(4) HG3 LYS 95 + HB VAL 105 OK 13 96 - 13 - ~10084=4, 10084/2.1=4...(4) QB ALA 109 + HB VAL 105 OK 11 100 - 11 - 10084/2.1=4, ~11454=3 HG LEU 96 + HB VAL 105 OK 10 73 - 14 - ~10084=5, 3.7/3465=4, ~10081=3 QB ALA 108 - HB VAL 105 poor 10 92 - 11 - 10081/3.0=3, 10084/2.1=3 HG3 LYS 31 - HB VAL 105 lone 3 100 - 3 - QB ALA 28 - HB VAL 105 lone 2 87 - 3 - QB ALA 110 - HB VAL 105 lone 2 81 - 3 - QB ALA 15 - HB VAL 105 lone 2 81 - 2 - HG3 LYS 26 - HB VAL 105 lone 2 73 - 3 - HG2 LYS 36 - HB VAL 105 lone 2 65 - 2 - QB ALA 29 - HB VAL 105 lone 2 65 - 2 - Peak 10083 from cnoeabs.peaks (2.54, 1.00, 20.13 ppm; 3.93 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10084 from cnoeabs.peaks (1.38, 1.00, 20.13 ppm; 3.76 A): 0 out of 15 assignments used, low quality = 0.23: HB2 LEU 96 - QG2 VAL 105 OK 14 98 - 14 - 3.0/10086=5, 10081/3.2=2...(5) HB2 LEU 42 - QG2 VAL 105 OK 10 92 - 11 - 3.0/9072=8, 10081/3.2=2 HB3 LEU 100 - QG2 VAL 105 lone 9 96 - 9 - 3.0/11459=3, ~10038=2...(4) QB ALA 109 - QG2 VAL 105 lone 9 92 - 9 - 11794/11458=2...(5) HG3 LYS 95 - QG2 VAL 105 lone 8 99 - 9 - ~10082=2, 10082/2.1=2...(4) HG2 LYS 95 - QG2 VAL 105 lone 8 96 - 8 - ~10082=2, 10082/2.1=2...(4) QB ALA 108 - QG2 VAL 105 lone 7 100 - 7 - 10081/3.2=2, 10082/2.1=2...(4) QB ALA 110 - QG2 VAL 105 lone 2 100 - 2 - HG3 LYS 31 - QG2 VAL 105 lone 2 81 - 2 - QB ALA 28 - QG2 VAL 105 lone 2 100 - 2 - HG3 LYS 26 - QG2 VAL 105 lone 2 99 - 2 - HG2 LYS 36 - QG2 VAL 105 lone 2 98 - 2 - QB ALA 15 - QG2 VAL 105 lone 1 100 - 1 - QB ALA 29 - QG2 VAL 105 lone 1 98 - 1 - HG2 LYS 24 - QG2 VAL 105 lone 1 96 - 1 - Peak 10085 from cnoeabs.peaks (2.40, 0.96, 20.99 ppm; 3.71 A): 0 out of 3 assignments used, low quality = 0.00: HG3 GLU 40 - QG1 VAL 105 poor 7 65 - 11 - 11457/2.1=9, 1274/4.4=1 HG3 GLU 55 - QG1 VAL 105 lone 4 87 - 5 - 11457/2.1=4 HB3 PRO 58 - QG1 VAL 105 lone 1 65 - 1 - Peak 10086 from cnoeabs.peaks (4.04, 1.00, 20.13 ppm; 3.23 A): 0 out of 6 assignments used, low quality = 0.44: HA GLU 102 - QG2 VAL 105 OK 38 81 - 47 - 3331/2.1=13...(7) HA LEU 96 - QG2 VAL 105 OK 10 99 - 10 - 3.0/10084=4, 3465/2.1=2 HA LEU 122 - QG2 VAL 105 poor 10 87 - 11 - 3465/2.1=3, 7518/4.0=2...(4) HA ALA 92 - QG2 VAL 105 lone 4 96 - 4 - HD3 PRO 81 - QG2 VAL 105 lone 3 87 - 4 - HA GLU 44 - QG2 VAL 105 lone 3 92 - 4 - Peak 10090 from cnoeabs.peaks (3.95, 0.96, 20.99 ppm; 4.10 A): 0 out of 3 assignments used, low quality = 0.10: HD3 PRO 117 - QG1 VAL 105 OK 10 98 - 11 - 4.8/10230=6, ~11528=4 HA3 GLY 111 - QG1 VAL 105 lone 1 96 - 1 - HB2 SER 51 - QG1 VAL 105 lone 1 81 - 1 - Peak 10091 from cnoeabs.peaks (2.25, 3.98, 63.90 ppm; 5.46 A): 0 out of 1 assignment used, low quality = 0.00: HB2 PRO 81 - HB3 SER 106 lone 8 98 - 9 - 11905/11463=4, 11905/11463=2 Peak 10093 from cnoeabs.peaks (2.27, 4.46, 58.89 ppm; 4.64 A): 0 out of 4 assignments used, low quality = 0.00: HG2 GLU 97 - HA SER 106 lone 9 92 - 9 - 11850/11468=6, 7537/2.9=2 HB3 PRO 113 - HA SER 106 lone 2 99 - 2 - HG2 GLN 61 - HA SER 106 lone 1 92 - 2 - HB VAL 132 - HA SER 106 lone 1 96 - 1 - Peak 10094 from cnoeabs.peaks (1.39, 3.98, 63.90 ppm; 3.99 A): 0 out of 15 assignments used, low quality = 0.14: QB ALA 109 - HB3 SER 106 OK 14 100 - 14 - 11794/3.0=9, 10101/4.5=4 QB ALA 108 - HB3 SER 106 lone 10 98 - 10 - 10101/4.5=5, ~7557=4 HB3 LEU 100 - HB3 SER 106 poor 8 73 - 11 - ~3233=2, 3.0/3496=2...(7) HG3 LYS 31 - HB3 SER 106 lone 7 98 - 7 - 10101/4.5=4, 5.0/3498=2 HB2 LEU 96 - HB3 SER 106 lone 4 81 - 5 - 3.2/10096=2, 10084/10095=2 HG2 LYS 95 - HB3 SER 106 lone 4 100 - 4 - 4.6/7290=1 HG3 LYS 95 - HB3 SER 106 lone 3 99 - 3 - 4.6/7290=1 QB ALA 110 - HB3 SER 106 lone 3 92 - 3 - ~11460=1 HB2 LEU 42 - HB3 SER 106 lone 1 65 - 2 - 10084/10095=1 QB ALA 28 - HB3 SER 106 lone 1 96 - 1 - QB ALA 15 - HB3 SER 106 lone 1 92 - 1 - HG3 LYS 26 - HB3 SER 106 lone 1 87 - 1 - QB ALA 29 - HB3 SER 106 lone 1 81 - 1 - HG2 LYS 36 - HB3 SER 106 lone 1 81 - 1 - HG2 LYS 24 - HB3 SER 106 lone 1 73 - 1 - Peak 10095 from cnoeabs.peaks (1.00, 3.98, 63.90 ppm; 3.66 A): 0 out of 3 assignments used, low quality = 0.42: QG2 VAL 105 - HB3 SER 106 OK 42 98 - 43 - 11466/3.0=19...(4) QG2 VAL 118 - HB3 SER 106 poor 10 65 - 15 - ~11467=5, 7539/4.0=4 QD1 LEU 69 - HB3 SER 106 lone 4 73 - 5 - 11466/3.0=2, 7539/4.0=2 Peak 10096 from cnoeabs.peaks (0.78, 3.98, 63.90 ppm; 4.04 A): 0 out of 5 assignments used, low quality = 0.36: QD1 LEU 103 - HB3 SER 106 OK 22 87 - 26 - ~11468=12, 11469/4.0=6...(6) QG1 VAL 63 - HB3 SER 106 OK 18 81 - 23 - 2.1/11854=17, 11469/4.0=4 QD1 ILE 32 - HB3 SER 106 lone 9 100 - 9 - 934/4.5=5, 11469/4.0=1 QD1 LEU 96 - HB3 SER 106 lone 5 96 - 5 - 3.2/10094=2 QD1 ILE 37 - HB3 SER 106 lone 4 98 - 4 - 11469/4.0=1 Peak 10104 from cnoeabs.peaks (1.40, 3.96, 63.62 ppm; 4.17 A): 2 out of 3 assignments used, quality = 0.53: QB ALA 16 + HB3 SER 107 OK 35 92 - 38 - 10109/1.8=24, ~10676=12...(4) HG LEU 96 + HB3 SER 107 OK 27 99 - 27 - 10109/1.8=9, 2.1/10106=7...(5) HG3 LYS 31 - HB3 SER 107 poor 10 65 - 15 - 10101/4.1=4, 10112/3.0=4...(4) Peak 10105 from cnoeabs.peaks (1.01, 3.96, 63.62 ppm; 3.67 A): 0 out of 3 assignments used, low quality = 0.38: QG2 VAL 105 - HB3 SER 107 OK 23 96 - 25 - ~10110=11, 11459=9...(4) QG2 VAL 118 - HB3 SER 107 OK 20 99 - 20 - 2.1/11473=5, ~11542=5...(7) QD1 LEU 69 - HB3 SER 107 lone 4 100 - 4 - ~10866=1 Peak 10106 from cnoeabs.peaks (0.78, 3.96, 63.62 ppm; 4.11 A): 4 out of 6 assignments used, quality = 0.68: QD1 ILE 32 + HB3 SER 107 OK 29 99 - 29 - ~10107=9, ~10828=7...(5) QG1 VAL 63 + HB3 SER 107 OK 24 96 - 25 - 2.1/11853=15...(4) QD1 LEU 103 + HB3 SER 107 OK 24 98 - 25 - 3.2/3370=4, 11486/4.7=4...(8) QD1 LEU 96 + HB3 SER 107 OK 22 81 - 27 - 2.1/10104=13, ~10109=7...(4) QD2 LEU 122 - HB3 SER 107 poor 10 73 - 13 - ~10111=5, 11486/4.7=2 QD1 ILE 37 - HB3 SER 107 lone 8 100 - 8 - Peak 10107 from cnoeabs.peaks (1.82, 3.92, 63.62 ppm; 4.64 A): 0 out of 9 assignments used, low quality = 0.44: HB ILE 32 - HB2 SER 107 OK 34 92 - 36 - ~10828=12, ~10115=8...(6) HB2 LEU 100 - HB2 SER 107 OK 15 100 - 15 - 3233/1.8=3, ~3242=3...(7) HB2 LYS 36 - HB2 SER 107 lone 7 87 - 8 - 3.5/10866=3, 3.5/10866=3 HB3 LYS 26 - HB2 SER 107 lone 3 96 - 3 - 3.5/10866=1 HB3 LYS 24 - HB2 SER 107 lone 3 65 - 4 - 3.5/10866=1, 3.5/10866=1 HB3 LEU 123 - HB2 SER 107 lone 1 79 - 1 - HB3 ARG 23 - HB2 SER 107 lone 1 100 - 1 - HB3 ARG 135 - HB2 SER 107 lone 1 92 - 1 - HB VAL 93 - HB2 SER 107 lone 1 92 - 1 - Peak 10109 from cnoeabs.peaks (1.40, 3.92, 63.62 ppm; 4.09 A): 2 out of 2 assignments used, quality = 0.63: QB ALA 16 + HB2 SER 107 OK 53 100 - 53 - 10677=25, 10104/1.8=15...(7) HG LEU 96 + HB2 SER 107 OK 20 81 - 25 - 10104/1.8=12, ~10115=5...(6) Peak 10110 from cnoeabs.peaks (0.96, 3.92, 63.62 ppm; 5.08 A): 0 out of 5 assignments used, low quality = 0.45: QG1 VAL 105 - HB2 SER 107 OK 45 100 - 45 - 11448/4.1=22, ~10105=20 QG1 VAL 112 - HB2 SER 107 poor 8 73 - 10 - 10135/10109=7, 10194/10181=1 QG1 VAL 126 - HB2 SER 107 lone 6 98 - 6 - 11613/10111=3, 11613/10111=1 QG2 VAL 126 - HB2 SER 107 lone 1 96 - 2 - QD2 LEU 53 - HB2 SER 107 lone 1 81 - 1 - Peak 10111 from cnoeabs.peaks (0.81, 3.92, 63.62 ppm; 5.15 A): 0 out of 4 assignments used, low quality = 0.16: QG2 ILE 80 - HB2 SER 107 OK 16 100 - 16 - 11176/10109=11, 10668/10675=2 QD1 LEU 122 - HB2 SER 107 lone 8 81 - 10 - ~10106=3, 10673/10109=2...(4) QD1 LEU 70 - HB2 SER 107 lone 6 92 - 6 - 9488/10109=3, 9488/10109=1 QG2 ILE 129 - HB2 SER 107 lone 1 73 - 1 - Peak 10112 from cnoeabs.peaks (1.39, 4.39, 58.42 ppm; 3.99 A): 4 out of 6 assignments used, quality = 0.73: QB ALA 108 + HA SER 107 OK 43 65 - 65 - 2.9/7555=34, ~7556=11...(8) QB ALA 109 + HA SER 107 OK 25 92 - 28 - 3526/3.6=8, 2.9/3503=8...(6) HG LEU 96 + HA SER 107 OK 23 96 - 24 - 2.1/10115=8, 10104/3.0=8...(5) HG3 LYS 31 + HA SER 107 OK 20 98 - 20 - 10101/3.0=6, 10104/3.0=3...(7) HG2 LYS 95 - HA SER 107 lone 2 87 - 2 - HG3 LYS 95 - HA SER 107 lone 2 73 - 2 - Peak 10113 from cnoeabs.peaks (0.98, 4.39, 58.42 ppm; 5.07 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10115 from cnoeabs.peaks (0.77, 4.39, 58.42 ppm; 5.27 A): 2 out of 3 assignments used, quality = 0.69: QD1 ILE 32 + HA SER 107 OK 51 87 - 59 - 3.0/10828=22, ~10107=11...(10) QD1 LEU 96 + HA SER 107 OK 37 100 - 37 - ~10104=11, 2.1/10112=10...(6) QD1 ILE 37 - HA SER 107 poor 9 73 - 12 - ~10102=7, 10106/3.0=1 Peak 10117 from cnoeabs.peaks (3.94, 1.38, 19.17 ppm; 3.25 A): 1 out of 20 assignments used, quality = 0.58: HA3 GLY 111 + QB ALA 110 OK 58 95 - 61 - 4.8=30, 7580/3.7=19...(8) HD3 PRO 113 - QB ALA 110 poor 8 66 - 13 - 4.4/11496=4, 7580/3.7=4...(4) HA3 GLY 111 - QB ALA 108 lone 7 100 - 7 - 3.0/7578=3 HD3 PRO 113 - QB ALA 108 lone 4 73 - 5 - 4.4/11496=4 HA3 GLY 111 - QB ALA 15 lone 3 88 - 3 - 3.0/7578=1 HD3 PRO 113 - QB ALA 15 lone 2 58 - 4 - 4.4/11496=3 HB2 SER 51 - QB ALA 110 lone 2 92 - 2 - HB2 SER 51 - QB ALA 15 lone 2 83 - 3 - 1620/3.7=2 HD3 PRO 117 - QB ALA 110 lone 2 73 - 2 - HD3 PRO 117 - QB ALA 108 lone 1 81 - 1 - HD3 PRO 117 - QB ALA 15 lone 1 64 - 1 - HB2 SER 51 - QB ALA 108 lone 1 98 - 1 - HD3 PRO 117 - QB ALA 28 lone 1 44 - 2 - HA3 GLY 111 - QB ALA 28 lone 0 63 - 1 - HD3 PRO 113 - QB ALA 28 lone 0 39 - 1 - HB2 SER 51 - QB ALA 28 lone 0 59 - 1 - HB2 SER 51 - QB ALA 29 lone 0 37 - 1 - HA3 GLY 111 - QB ALA 29 lone 0 40 - 1 - HD3 PRO 113 - QB ALA 29 lone 0 24 - 1 - HD3 PRO 117 - QB ALA 29 lone 0 27 - 1 - Peak 10124 from cnoeabs.peaks (3.93, 0.97, 20.69 ppm; 3.61 A): 2 out of 3 assignments used, quality = 0.97: HD3 PRO 113 + QG1 VAL 112 OK 93 96 - 98 - 4.4=55, 1.8/10125=38...(18) HA2 GLY 111 + QG1 VAL 112 OK 57 99 - 57 - 3.6/3561=23, 4.8/3550=15...(10) HB2 SER 51 - QG1 VAL 112 lone 2 65 - 3 - Peak 10125 from cnoeabs.peaks (3.71, 0.97, 20.69 ppm; 3.52 A): 1 out of 1 assignment used, quality = 0.91: HD2 PRO 113 + QG1 VAL 112 OK 91 96 - 95 - 4.4=50, 11511/2.1=28...(18) Peak 10126 from cnoeabs.peaks (3.94, 0.92, 20.16 ppm; 3.57 A): 2 out of 4 assignments used, quality = 0.98: HD3 PRO 113 + QG2 VAL 112 OK 95 99 - 96 - 4.4=54, 1.8/10131=28...(18) HA3 GLY 111 + QG2 VAL 112 OK 48 87 - 56 - 3.6/3556=28, 4.8/3549=12...(8) HA2 GLY 111 - QG2 VAL 112 OK 40 73 - 54 - 3.6/3556=28, 4.8/3549=12...(8) HB2 SER 51 - QG2 VAL 112 lone 5 98 - 5 - 1492/1489=1 Peak 10128 from cnoeabs.peaks (4.28, 2.12, 32.23 ppm; 4.94 A): 4 out of 13 assignments used, quality = 0.96: HA ALA 16 + HB VAL 112 OK 72 96 - 76 - 3.0/10666=36, ~10135=33...(8) HB THR 115 + HB VAL 112 OK 65 87 - 75 - ~10194=29, 2.1/11497=23...(6) HA ALA 15 + HB VAL 112 OK 38 92 - 41 - 3.6/10666=32, ~11496=8 HA ALA 108 + HB VAL 112 OK 32 98 - 33 - ~11485=17, ~11484=9, ~11496=9 HA ALA 109 - HB VAL 112 OK 32 98 - 33 - ~10118=14, 2.1/10134=13 HA ALA 110 - HB VAL 112 OK 20 96 - 21 - ~11496=9, ~11478=9, 11493/2.1=3 HA LEU 22 - HB VAL 112 OK 11 98 - 10 - 10722=9 HA ALA 12 - HB VAL 112 lone 3 92 - 3 - ~6074=2 HA LYS 31 - HB VAL 112 lone 3 98 - 3 - 3.8/10134=1 HA ARG 23 - HB VAL 112 lone 2 87 - 2 - HA GLN 61 - HB VAL 112 lone 2 100 - 2 - HA ALA 21 - HB VAL 112 lone 2 57 - 3 - 11771/2.1=2 HA LYS 36 - HB VAL 112 lone 2 92 - 2 - Peak 10129 from cnoeabs.peaks (3.93, 2.12, 32.23 ppm; 3.69 A): 2 out of 3 assignments used, quality = 0.89: HD3 PRO 113 + HB VAL 112 OK 77 81 - 95 - 4.8=44, 1.8/10130=38...(16) HA2 GLY 111 + HB VAL 112 OK 52 100 - 52 - 3.6/7587=28...(8) HB2 SER 107 - HB VAL 112 lone 4 73 - 6 - 10675/10666=2, 10110/2.1=1 Peak 10130 from cnoeabs.peaks (3.70, 2.12, 32.23 ppm; 3.54 A): 1 out of 1 assignment used, quality = 0.91: HD2 PRO 113 + HB VAL 112 OK 91 98 - 93 - 11511=39, 3567/3.0=30...(16) Peak 10131 from cnoeabs.peaks (3.70, 0.92, 20.16 ppm; 4.19 A): 1 out of 1 assignment used, quality = 0.98: HD2 PRO 113 + QG2 VAL 112 OK 98 98 - 100 - 4.4=88, 10130/2.1=43...(18) Peak 10134 from cnoeabs.peaks (1.40, 2.12, 32.23 ppm; 4.70 A): 2 out of 5 assignments used, quality = 0.54: QB ALA 16 + HB VAL 112 OK 41 65 - 62 - 2.9/10666=33...(4) QB ALA 109 + HB VAL 112 OK 23 81 - 29 - ~10118=13, 10136/3.7=8...(4) HG LEU 96 - HB VAL 112 lone 4 99 - 4 - 10135/2.1=1 HG3 LYS 31 - HB VAL 112 lone 3 92 - 3 - HG2 LYS 95 - HB VAL 112 lone 2 73 - 2 - Peak 10135 from cnoeabs.peaks (1.40, 0.97, 20.69 ppm; 3.63 A): 0 out of 2 assignments used, low quality = 0.40: QB ALA 16 - QG1 VAL 112 OK 40 100 - 40 - ~10666=14, ~11479=12...(5) HG LEU 96 - QG1 VAL 112 lone 2 87 - 2 - Peak 10137 from cnoeabs.peaks (0.93, 3.70, 50.95 ppm; 3.67 A): 3 out of 3 assignments used, quality = 0.47: QD1 LEU 123 + HD2 PRO 113 OK 33 87 - 38 - 10139/1.8=20...(8) QG2 ILE 37 + HD2 PRO 113 OK 12 99 - 12 - 10139/1.8=7, 11506/3.6=3 QD1 LEU 119 + HD2 PRO 113 OK 11 73 - 15 - 10139/1.8=7, 11557/2.3=4...(4) Peak 10139 from cnoeabs.peaks (0.93, 3.94, 50.95 ppm; 3.90 A): 3 out of 3 assignments used, quality = 0.52: QD1 LEU 123 + HD3 PRO 113 OK 37 87 - 42 - 10137/1.8=24...(8) QG2 ILE 37 + HD3 PRO 113 OK 13 99 - 13 - 10137/1.8=9, 11506/3.6=3 QD1 LEU 119 + HD3 PRO 113 OK 12 73 - 17 - 10137/1.8=8, 11557/2.3=4...(4) Peak 10140 from cnoeabs.peaks (0.95, 1.91, 31.81 ppm; 5.06 A): 0 out of 3 assignments used, low quality = 0.12: QD1 LEU 119 - HB2 PRO 113 OK 12 87 - 14 - 11557/2.3=8, 10166/10168=4 QG1 VAL 57 - HB2 PRO 113 lone 2 100 - 2 - QG1 VAL 126 - HB2 PRO 113 lone 2 65 - 3 - Peak 10141 from cnoeabs.peaks (1.58, 2.06, 27.46 ppm; 5.68 A): 3 out of 4 assignments used, quality = 0.66: HG LEU 49 + HG3 PRO 113 OK 35 96 - 37 - ~1575=6, ~1583=5...(9) HG LEU 123 + HG3 PRO 113 OK 34 65 - 52 - ~10137=24, ~10139=23...(7) HB2 LEU 103 + HG3 PRO 113 OK 21 100 - 21 - 3.2/10069=11, ~11923=5 HG2 ARG 23 - HG3 PRO 113 lone 4 100 - 4 - Peak 10142 from cnoeabs.peaks (0.97, 2.06, 27.46 ppm; 3.98 A): 2 out of 4 assignments used, quality = 0.98: QG1 VAL 112 + HG3 PRO 113 OK 95 100 - 95 - 10125/2.3=39...(19) QD2 LEU 53 + HG3 PRO 113 OK 53 100 - 53 - 9256/2.3=19, 2.1/3621=9...(12) QG1 VAL 105 - HG3 PRO 113 lone 5 81 - 6 - QG2 VAL 126 - HG3 PRO 113 lone 4 98 - 4 - ~10140=2 Peak 10143 from cnoeabs.peaks (0.82, 2.06, 27.46 ppm; 5.43 A): 0 out of 3 assignments used, low quality = 0.00: QG2 ILE 129 - HG3 PRO 113 lone 6 96 - 6 - ~4126=3, 11261/11259=2 HG13 ILE 80 - HG3 PRO 113 lone 5 99 - 5 - ~11174=2, 11261/11259=1 QD1 LEU 70 - HG3 PRO 113 lone 2 81 - 2 - Peak 10144 from cnoeabs.peaks (1.16, 2.06, 27.46 ppm; 5.10 A): 0 out of 2 assignments used, low quality = 0.00: HG12 ILE 32 - HG3 PRO 113 lone 6 98 - 6 - 9894/3625=4 HG3 LYS 39 - HG3 PRO 113 lone 3 98 - 3 - 9894/3625=2 Peak 10147 from cnoeabs.peaks (3.22, 2.06, 27.46 ppm; 6.80 A): 0 out of 1 assignment used, low quality = 0.00: HB3 HIS 8 - HG3 PRO 113 lone 2 73 - 3 - Peak 10150 from cnoeabs.peaks (4.12, 4.37, 63.85 ppm; 4.49 A): 1 out of 3 assignments used, quality = 0.79: HA3 GLY 114 + HA PRO 113 OK 79 92 - 86 - 1.8/11516=41...(7) HA ILE 80 - HA PRO 113 lone 6 87 - 7 - 7599/3.6=3, 3.0/9734=2 HA CYS 45 - HA PRO 113 lone 3 98 - 3 - 7599/3.6=1 Peak 10153 from cnoeabs.peaks (7.92, 3.70, 50.95 ppm; 5.44 A): 1 out of 2 assignments used, quality = 0.65: H VAL 112 + HD2 PRO 113 OK 65 65 - 100 - 4.8=100 HD22 ASN 116 - HD2 PRO 113 lone 4 65 - 6 - 11553/10137=2 Peak 10154 from cnoeabs.peaks (7.93, 4.37, 63.85 ppm; 4.73 A): 1 out of 1 assignment used, quality = 0.52: H VAL 112 + HA PRO 113 OK 52 92 - 56 - 4.0/11507=20...(6) Peak 10156 from cnoeabs.peaks (7.93, 3.94, 50.95 ppm; 5.26 A): 1 out of 1 assignment used, quality = 0.81: H VAL 112 + HD3 PRO 113 OK 81 81 - 100 - 4.8=100 Peak 10157 from cnoeabs.peaks (1.93, 3.88, 45.18 ppm; 6.80 A): 1 out of 3 assignments used, quality = 0.83: HG2 PRO 113 + HA2 GLY 114 OK 83 87 - 96 - 3.8/11516=43, ~7596=40...(10) HB2 MET 11 - HA2 GLY 114 lone 6 98 - 6 - 7594/2.9=2, 3589/11516=1 HB3 LEU 123 - HA2 GLY 114 poor 6 31 - 19 - ~10160=9, ~10165=9 Peak 10158 from cnoeabs.peaks (1.90, 4.12, 45.18 ppm; 5.51 A): 3 out of 6 assignments used, quality = 0.82: HB2 PRO 113 + HA3 GLY 114 OK 72 73 - 98 - 2.3/11515=43, ~11516=36...(14) HB3 LEU 48 + HA3 GLY 114 OK 25 73 - 34 - 3.1/10165=9, 1.8/1494=8...(7) HB3 LEU 123 + HA3 GLY 114 OK 13 69 - 19 - 3.2/10165=8, ~10160=6 HB2 ARG 135 - HA3 GLY 114 lone 8 100 - 8 - 2.9/11688=4 HB3 ARG 84 - HA3 GLY 114 lone 4 99 - 4 - HB2 GLU 40 - HA3 GLY 114 lone 2 98 - 2 - Peak 10162 from cnoeabs.peaks (1.13, 3.88, 45.18 ppm; 4.63 A): 2 out of 3 assignments used, quality = 0.75: QG2 THR 115 + HA2 GLY 114 OK 56 81 - 70 - 4.0/7603=33...(5) QG1 VAL 132 + HA2 GLY 114 OK 43 98 - 44 - 10164/1.8=16, ~11663=11...(8) HG2 LYS 39 - HA2 GLY 114 lone 6 81 - 7 - 7607/3.6=2, 10164/1.8=2...(4) Peak 10163 from cnoeabs.peaks (0.94, 3.88, 45.18 ppm; 4.51 A): 2 out of 3 assignments used, quality = 0.46: QD1 LEU 119 + HA2 GLY 114 OK 39 99 - 40 - 10166/3.6=26...(3) QG2 ILE 37 + HA2 GLY 114 OK 11 96 - 11 - 10166/3.6=5, 10160/2.9=4 QG1 VAL 57 - HA2 GLY 114 lone 4 65 - 6 - 10166/3.6=4, 9312/9243=1 Peak 10164 from cnoeabs.peaks (1.12, 4.12, 45.18 ppm; 4.81 A): 2 out of 3 assignments used, quality = 0.64: QG2 THR 115 + HA3 GLY 114 OK 42 57 - 73 - 4.0/7604=34...(5) QG1 VAL 132 + HA3 GLY 114 OK 38 87 - 44 - 10162/1.8=16, ~11663=12...(8) HG2 LYS 39 - HA3 GLY 114 lone 4 57 - 6 - 10162/1.8=2, 10159/2.9=1 Peak 10165 from cnoeabs.peaks (0.93, 4.12, 45.18 ppm; 5.39 A): 4 out of 4 assignments used, quality = 0.70: QG2 VAL 112 + HA3 GLY 114 OK 42 96 - 43 - 11491/2.9=24, ~11492=17...(4) QD1 LEU 48 + HA3 GLY 114 OK 25 96 - 26 - 3.1/1503=7, 3.1/1494=7...(5) QD1 LEU 123 + HA3 GLY 114 OK 23 100 - 23 - 10160/2.9=11...(5) QG2 ILE 37 + HA3 GLY 114 OK 10 73 - 14 - 10160/2.9=7, 10166/3.6=2...(4) Peak 10174 from cnoeabs.peaks (2.85, 4.40, 61.68 ppm; 5.19 A): 1 out of 2 assignments used, quality = 0.80: HB2 ASN 116 + HA THR 115 OK 80 96 - 84 - 7615/3.6=40...(6) HB3 ASP 47 - HA THR 115 lone 5 96 - 5 - 7615/3.6=2, 10173/3.0=1 Peak 10175 from cnoeabs.peaks (3.89, 4.40, 61.68 ppm; 4.83 A): 1 out of 7 assignments used, quality = 0.95: HA2 GLY 114 + HA THR 115 OK 95 96 - 99 - 5.0=90, 7603/3.0=40...(10) HA LYS 86 - HA THR 115 lone 4 100 - 4 - 7603/3.0=1, 3631/5.0=1 HA LEU 70 - HA THR 115 lone 2 92 - 3 - HB3 SER 50 - HA THR 115 lone 2 99 - 2 - HA ALA 46 - HA THR 115 lone 2 65 - 2 - HA2 GLY 2 - HA THR 115 lone 1 81 - 1 - HA3 GLY 2 - HA THR 115 lone 1 81 - 1 - Peak 10177 from cnoeabs.peaks (4.97, 4.40, 61.68 ppm; 5.13 A): 1 out of 1 assignment used, quality = 0.95: HA ASN 116 + HA THR 115 OK 95 99 - 95 - 2.9/7611=43...(11) Peak 10179 from cnoeabs.peaks (4.97, 1.13, 21.32 ppm; 5.18 A): 1 out of 1 assignment used, quality = 0.85: HA ASN 116 + QG2 THR 115 OK 85 98 - 87 - 10177/3.2=33...(7) Peak 10181 from cnoeabs.peaks (3.91, 1.13, 21.32 ppm; 4.77 A): 0 out of 8 assignments used, low quality = 0.36: HB2 SER 107 - QG2 THR 115 OK 14 65 - 22 - 1.8/11470=14, 4.7/11483=8 HA2 GLY 14 - QG2 THR 115 OK 14 92 - 15 - ~11520=7, ~11521=6 HA3 GLY 14 - QG2 THR 115 OK 13 87 - 15 - ~11520=7, ~11521=6 HB2 SER 33 - QG2 THR 115 lone 9 99 - 9 - 3.0/3645=3, 941/3.2=2...(4) HA ALA 41 - QG2 THR 115 lone 1 96 - 1 - HB3 SER 60 - QG2 THR 115 lone 1 92 - 1 - HB2 SER 60 - QG2 THR 115 lone 1 92 - 1 - HA3 GLY 75 - QG2 THR 115 lone 1 57 - 2 - Peak 10184 from cnoeabs.peaks (2.83, 1.13, 21.32 ppm; 6.25 A): 0 out of 1 assignment used, low quality = 0.00: HB3 ASP 47 - QG2 THR 115 lone 2 65 - 2 - Peak 10185 from cnoeabs.peaks (2.10, 1.13, 21.32 ppm; 3.80 A): 0 out of 5 assignments used, low quality = 0.29: HB3 GLN 61 - QG2 THR 115 OK 16 100 - 16 - 10169/4.0=4, 3.0/3646=3...(7) HB2 GLN 61 - QG2 THR 115 OK 15 96 - 16 - 10169/4.0=5, 3.0/3646=3...(7) HB VAL 126 - QG2 THR 115 lone 9 98 - 9 - 2.1/10194=6, ~11523=2 HG3 GLU 91 - QG2 THR 115 lone 1 81 - 1 - HB3 GLN 82 - QG2 THR 115 lone 1 57 - 1 - Peak 10186 from cnoeabs.peaks (1.85, 1.13, 21.32 ppm; 4.85 A): 0 out of 1 assignment used, low quality = 0.00: HB3 LEU 123 - QG2 THR 115 lone 6 100 - 6 - ~10192=4 Peak 10189 from cnoeabs.peaks (2.06, 4.27, 69.69 ppm; 5.46 A): 0 out of 8 assignments used, low quality = 0.23: HB VAL 118 - HB THR 115 OK 23 98 - 24 - ~10272=21 HG2 PRO 117 - HB THR 115 lone 6 87 - 7 - ~11529=4, 11529/2.1=2 HG3 PRO 117 - HB THR 115 lone 5 65 - 7 - ~11529=3, 11529/2.1=2 HB2 LEU 62 - HB THR 115 lone 4 98 - 4 - 3.9/6784=1 HB3 GLN 27 - HB THR 115 lone 3 100 - 3 - 4.0/6261=1 HG3 PRO 113 - HB THR 115 lone 2 100 - 2 - HB2 GLN 127 - HB THR 115 lone 2 98 - 2 - HG3 PRO 81 - HB THR 115 lone 2 73 - 2 - Peak 10191 from cnoeabs.peaks (1.38, 4.27, 69.69 ppm; 3.66 A): 0 out of 11 assignments used, low quality = 0.42: HG2 LYS 36 - HB THR 115 OK 21 92 - 23 - 10196/2.1=9, 1007=4...(7) HB2 LEU 96 - HB THR 115 OK 17 92 - 19 - 10196/2.1=11, ~10195=8 HG2 LYS 24 - HB THR 115 OK 12 96 - 12 - 10196/2.1=5, 5.1/11521=3 HG3 LYS 26 - HB THR 115 poor 9 87 - 11 - 4.9/11521=4, 1.8/627=1 HB2 LEU 42 - HB THR 115 lone 7 98 - 7 - 10196/2.1=4, ~10939=1 QB ALA 108 - HB THR 115 lone 5 65 - 8 - ~11483=4, 2.9/7558=1 QB ALA 15 - HB THR 115 lone 3 81 - 3 - 3.7/6125=2 HB3 LEU 100 - HB THR 115 lone 2 96 - 3 - 10196/2.1=1 QB ALA 29 - HB THR 115 lone 2 92 - 2 - QB ALA 110 - HB THR 115 lone 1 81 - 1 - QB ALA 28 - HB THR 115 lone 1 73 - 1 - Peak 10192 from cnoeabs.peaks (0.93, 4.27, 69.69 ppm; 4.64 A): 3 out of 5 assignments used, quality = 0.68: QG2 VAL 112 + HB THR 115 OK 47 73 - 65 - ~10194=27, ~11499=20...(6) QD1 LEU 119 + HB THR 115 OK 24 57 - 42 - 10166/4.0=18...(4) QD1 LEU 123 + HB THR 115 OK 20 96 - 21 - ~10186=19 QG2 ILE 37 - HB THR 115 lone 6 96 - 6 - 10166/4.0=3, 4.0/6403=2 QD1 LEU 48 - HB THR 115 lone 1 73 - 1 - Peak 10193 from cnoeabs.peaks (0.81, 4.27, 69.69 ppm; 5.96 A): 0 out of 4 assignments used, low quality = 0.22: QD2 LEU 119 - HB THR 115 OK 22 65 - 34 - ~11556=23, 2.1/10192=12 QG2 ILE 80 - HB THR 115 lone 6 96 - 6 - ~11522=2 QD1 LEU 122 - HB THR 115 lone 3 98 - 4 - QD1 LEU 70 - HB THR 115 lone 1 65 - 2 - Peak 10194 from cnoeabs.peaks (0.97, 1.13, 21.32 ppm; 3.01 A): 1 out of 4 assignments used, quality = 0.53: QG1 VAL 112 + QG2 THR 115 OK 53 100 - 54 - 11499=27, 2.1/11500=14...(7) QG2 VAL 126 - QG2 THR 115 lone 9 98 - 9 - 2.1/10185=5, 11523/3.2=2 QG1 VAL 105 - QG2 THR 115 lone 5 81 - 6 - 11523/3.2=2, 10230/4.2=2 QD2 LEU 53 - QG2 THR 115 lone 4 100 - 4 - 11523/3.2=2 Peak 10195 from cnoeabs.peaks (0.76, 1.13, 21.32 ppm; 5.02 A): 0 out of 2 assignments used, low quality = 0.14: QD1 LEU 96 - QG2 THR 115 OK 14 65 - 22 - 3.2/10196=15, ~10191=6 QD2 LEU 43 - QG2 THR 115 lone 4 73 - 5 - 2.1/11806=3 Peak 10196 from cnoeabs.peaks (1.37, 1.13, 21.32 ppm; 3.50 A): 0 out of 7 assignments used, low quality = 0.11: HB2 LEU 96 - QG2 THR 115 OK 11 65 - 17 - 3.2/10195=11, 10191/2.1=6 HG2 LYS 36 - QG2 THR 115 poor 8 65 - 13 - 10191/2.1=7, ~1018=2, ~996=1 HG2 LYS 24 - QG2 THR 115 lone 5 73 - 6 - 10191/2.1=4 HB2 LEU 42 - QG2 THR 115 lone 4 81 - 5 - 10191/2.1=2, 3.1/10939=2 HG2 LYS 19 - QG2 THR 115 lone 1 81 - 2 - HB3 LEU 100 - QG2 THR 115 lone 1 73 - 2 - QB ALA 29 - QG2 THR 115 lone 1 65 - 1 - Peak 10200 from cnoeabs.peaks (2.04, 4.97, 51.55 ppm; 4.34 A): 0 out of 5 assignments used, low quality = 0.21: HG3 ARG 135 - HA ASN 116 OK 21 81 - 26 - 10199/2.9=9, 3.0/3652=6...(9) QE MET 11 - HA ASN 116 lone 9 100 - 9 - 10199/2.9=7, 11527/3.0=1 HB3 GLU 55 - HA ASN 116 lone 7 99 - 7 - 10199/2.9=4, 1714/10251=2 HB3 GLU 91 - HA ASN 116 lone 4 81 - 5 - ~10208=3, 10199/2.9=2 HB3 GLU 40 - HA ASN 116 lone 3 96 - 3 - 10199/2.9=2 Peak 10206 from cnoeabs.peaks (3.86, 2.85, 38.95 ppm; 6.44 A): 1 out of 1 assignment used, quality = 0.98: HD2 PRO 117 + HB2 ASN 116 OK 98 98 - 100 - 4.8=100 Peak 10207 from cnoeabs.peaks (3.95, 2.85, 38.95 ppm; 5.23 A): 1 out of 6 assignments used, quality = 1.00: HD3 PRO 117 + HB2 ASN 116 OK 100 100 - 100 - 4.8=100 HB3 SER 107 - HB2 ASN 116 OK 11 81 - 14 - 10210/3.5=4, 10197/4.0=4...(4) HA3 GLY 111 - HB2 ASN 116 lone 6 73 - 8 - 10210/3.5=4, 3670/3.0=1 HA3 GLY 17 - HB2 ASN 116 lone 6 73 - 8 - 10197/4.0=2, 3677/4.8=2...(5) HA2 GLY 17 - HB2 ASN 116 lone 6 73 - 8 - 10197/4.0=2, 3677/4.8=2...(5) HA LEU 100 - HB2 ASN 116 lone 5 73 - 6 - 10210/3.5=1, 3670/3.0=1 Peak 10208 from cnoeabs.peaks (3.98, 2.93, 38.95 ppm; 5.87 A): 0 out of 7 assignments used, low quality = 0.00: HA GLN 127 - HB3 ASN 116 lone 5 81 - 7 - 11611/10295=5 HA GLU 91 - HB3 ASN 116 lone 5 96 - 5 - ~10200=3 HB3 SER 51 - HB3 ASN 116 lone 2 92 - 3 - HA THR 65 - HB3 ASN 116 lone 2 87 - 3 - HB3 SER 106 - HB3 ASN 116 lone 2 99 - 2 - HB3 SER 94 - HB3 ASN 116 lone 2 96 - 2 - HB2 SER 106 - HB3 ASN 116 lone 1 57 - 2 - Peak 10225 from cnoeabs.peaks (1.61, 2.85, 38.95 ppm; 5.39 A): 3 out of 5 assignments used, quality = 0.83: HG LEU 119 + HB2 ASN 116 OK 76 87 - 88 - ~10295=32, 2.1/10227=24...(9) HB3 LEU 22 + HB2 ASN 116 OK 15 100 - 15 - 10221/3.5=6, 10216/3.5=5...(4) HG LEU 22 + HB2 ASN 116 OK 14 100 - 14 - 10221/3.5=6, 10216/3.5=5...(4) HB2 LEU 122 - HB2 ASN 116 lone 5 81 - 7 - 10221/3.5=3, 10216/3.5=2 HG LEU 70 - HB2 ASN 116 lone 3 96 - 3 - Peak 10227 from cnoeabs.peaks (0.95, 2.85, 38.95 ppm; 4.89 A): 3 out of 3 assignments used, quality = 0.90: QD1 LEU 119 + HB2 ASN 116 OK 77 87 - 89 - 10295/1.8=29...(11) QG1 VAL 57 + HB2 ASN 116 OK 48 100 - 48 - 10222/3.5=21...(6) QG1 VAL 126 + HB2 ASN 116 OK 17 65 - 27 - 10222/3.5=11...(5) Peak 10228 from cnoeabs.peaks (0.95, 2.93, 38.95 ppm; 5.53 A): 3 out of 3 assignments used, quality = 0.94: QD1 LEU 119 + HB3 ASN 116 OK 82 87 - 94 - 10218/3.5=30...(11) QG1 VAL 57 + HB3 ASN 116 OK 57 100 - 57 - 10222/3.5=25...(7) QG1 VAL 126 + HB3 ASN 116 OK 21 65 - 32 - 10222/3.5=13...(5) Peak 10232 from cnoeabs.peaks (0.80, 4.97, 51.55 ppm; 4.94 A): 2 out of 4 assignments used, quality = 0.92: QD2 LEU 119 + HA ASN 116 OK 86 98 - 88 - 10219/4.6=22, ~10295=22...(12) QD2 LEU 49 + HA ASN 116 OK 41 100 - 41 - 9206/3.8=34, 10219/4.6=4...(4) QD1 LEU 53 - HA ASN 116 lone 9 96 - 9 - ~9255=3, 10256/10251=2...(4) QD1 LEU 122 - HA ASN 116 lone 3 65 - 5 - 10223/4.6=2 Peak 10234 from cnoeabs.peaks (8.45, 3.86, 51.04 ppm; 5.50 A): 1 out of 3 assignments used, quality = 1.00: H ASN 116 + HD2 PRO 117 OK 100 100 - 100 - 4.8=100 H ALA 12 - HD2 PRO 117 OK 33 99 - 33 - 3649/3.8=10, 10235/1.8=9...(5) H ASN 13 - HD2 PRO 117 lone 4 57 - 7 - 10235/1.8=2, 3649/3.8=1 Peak 10235 from cnoeabs.peaks (8.44, 3.95, 51.04 ppm; 5.08 A): 1 out of 4 assignments used, quality = 0.98: H ASN 116 + HD3 PRO 117 OK 98 98 - 100 - 4.8=100 H ALA 12 - HD3 PRO 117 OK 28 100 - 29 - 3649/3.8=8, 10234/1.8=8...(5) H ASN 13 - HD3 PRO 117 lone 5 81 - 5 - 3649/3.8=1 H VAL 93 - HD3 PRO 117 lone 1 65 - 1 - Peak 10236 from cnoeabs.peaks (7.57, 4.37, 64.81 ppm; 4.32 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10237 from cnoeabs.peaks (8.10, 4.37, 64.81 ppm; 4.24 A): 0 out of 1 assignment used, low quality = 0.00: H THR 25 - HA PRO 117 lone 1 92 - 1 - Peak 10238 from cnoeabs.peaks (2.83, 3.86, 51.04 ppm; 5.97 A): 0 out of 1 assignment used, low quality = 0.00: HB3 ASP 47 - HD2 PRO 117 lone 1 65 - 2 - Peak 10239 from cnoeabs.peaks (2.93, 3.86, 51.04 ppm; 6.08 A): 1 out of 5 assignments used, quality = 0.96: HB3 ASN 116 + HD2 PRO 117 OK 96 96 - 100 - 4.8=100 HE2 LYS 39 - HD2 PRO 117 OK 12 99 - 12 - 3652/3.8=4, 7616/4.8=3 HD2 ARG 135 - HD2 PRO 117 OK 11 65 - 18 - 3652/3.8=7, 7616/4.8=5 HE3 LYS 39 - HD2 PRO 117 lone 10 99 - 10 - 3652/3.8=3, 7616/4.8=3 HG CYS 73 - HD2 PRO 117 lone 4 81 - 5 - 3652/3.8=1 Peak 10240 from cnoeabs.peaks (2.83, 3.95, 51.04 ppm; 5.34 A): 0 out of 1 assignment used, low quality = 0.41: HB3 ASN 85 - HD3 PRO 117 OK 41 98 - 42 - 10243/3.0=35, 10245/7638=9 Peak 10241 from cnoeabs.peaks (2.92, 3.95, 51.04 ppm; 6.16 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10242 from cnoeabs.peaks (2.80, 2.36, 32.10 ppm; 4.55 A): 2 out of 4 assignments used, quality = 0.91: HB3 ASN 120 + HB2 PRO 117 OK 70 100 - 70 - 11561/2.3=20, 10301=17...(7) HB2 ASN 120 + HB2 PRO 117 OK 70 100 - 70 - 11561/2.3=20, 10301=17...(7) HB2 ASN 121 - HB2 PRO 117 lone 3 98 - 3 - 11561/2.3=2 HB3 ASP 64 - HB2 PRO 117 lone 1 100 - 1 - Peak 10243 from cnoeabs.peaks (2.83, 2.01, 32.10 ppm; 5.25 A): 1 out of 1 assignment used, quality = 0.47: HB3 ASN 85 + HB3 PRO 117 OK 47 92 - 51 - 10240/3.0=33, 10245/4.3=26 Peak 10247 from cnoeabs.peaks (4.98, 4.37, 64.81 ppm; 5.02 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10248 from cnoeabs.peaks (4.94, 2.36, 32.10 ppm; 6.00 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10249 from cnoeabs.peaks (4.96, 2.01, 32.10 ppm; 5.18 A): 1 out of 1 assignment used, quality = 0.89: HA ASN 116 + HB3 PRO 117 OK 89 98 - 91 - 3667/3.0=43, 3670/3.0=36...(9) Peak 10257 from cnoeabs.peaks (4.96, 2.05, 27.30 ppm; 3.96 A): 3 out of 3 assignments used, quality = 0.93: HA ASN 116 + HG2 PRO 117 OK 77 98 - 79 - 3667/2.3=34, 3670/2.3=30...(12) HA ASN 116 + HG3 PRO 117 OK 64 83 - 78 - 3667/2.3=34, 3670/2.3=30...(11) HA ASN 116 + HG3 PRO 81 OK 21 92 - 23 - 3.8/3717=6, 3.8/3675=5...(6) Peak 10258 from cnoeabs.peaks (1.62, 2.06, 31.53 ppm; 4.92 A): 4 out of 5 assignments used, quality = 0.86: HB3 LEU 22 + HB VAL 118 OK 50 99 - 50 - 390/2.1=11, 7654/4.6=8...(10) HG LEU 22 + HB VAL 118 OK 48 99 - 49 - 398/2.1=10, 2.1/3739=8...(9) HG LEU 119 + HB VAL 118 OK 37 98 - 38 - 4.6/3741=16...(6) HG3 ARG 23 + HB VAL 118 OK 16 81 - 20 - ~10261=6, ~10260=4...(5) HG LEU 70 - HB VAL 118 lone 1 81 - 2 - Peak 10259 from cnoeabs.peaks (1.38, 2.06, 31.53 ppm; 4.76 A): 7 out of 11 assignments used, quality = 0.85: HB2 LEU 42 + HB VAL 118 OK 44 98 - 45 - ~9084=15, ~9078=13...(6) HB3 LEU 100 + HB VAL 118 OK 29 96 - 31 - ~11916=13, ~10260=8...(4) QB ALA 29 + HB VAL 118 OK 24 92 - 26 - ~10271=10, 2.9/10788=8...(4) HB2 LEU 96 + HB VAL 118 OK 22 92 - 24 - ~11537=9, 10262/2.1=6...(6) HG3 LYS 26 + HB VAL 118 OK 17 87 - 20 - 10262/2.1=4, ~10260=3...(6) QB ALA 28 + HB VAL 118 OK 15 73 - 21 - 3.7/10788=7, ~10271=4...(5) HG2 LYS 24 + HB VAL 118 OK 12 96 - 13 - 10703/2.1=5, ~10260=2...(4) HG2 LYS 36 - HB VAL 118 lone 8 92 - 9 - 10262/2.1=2...(4) QB ALA 108 - HB VAL 118 lone 5 65 - 8 - ~10279=3, 10262/2.1=2 QB ALA 110 - HB VAL 118 lone 3 81 - 3 - QB ALA 15 - HB VAL 118 lone 2 81 - 3 - Peak 10260 from cnoeabs.peaks (1.82, 0.90, 21.66 ppm; 4.57 A): 3 out of 11 assignments used, quality = 0.47: HB2 LEU 100 + QG1 VAL 118 OK 26 96 - 28 - ~11916=12, 1.8/10262=8...(4) HB3 ARG 23 + QG1 VAL 118 OK 17 92 - 19 - 3.0/10261=6, 3.8/6201=5...(6) HB3 LYS 26 + QG1 VAL 118 OK 14 100 - 14 - 3.0/10262=4, 3.0/11764=3...(4) HB3 LYS 24 - QG1 VAL 118 lone 8 96 - 9 - 2.9/10703=3, ~10264=2, ~10259=1 HB2 ARG 84 - QG1 VAL 118 lone 6 65 - 9 - 3.0/9784=8 HB ILE 32 - QG1 VAL 118 lone 6 100 - 5 - ~10265=2, ~11548=1 HB2 LYS 36 - QG1 VAL 118 lone 5 100 - 5 - 3.0/10262=1, ~10264=1 HB3 LYS 19 - QG1 VAL 118 lone 5 87 - 6 - 3.0/11764=3, 4.6/6172=1 HB3 LEU 123 - QG1 VAL 118 lone 3 71 - 5 - 3.0/10261=2, 10323/10324=1 HB3 ARG 135 - QG1 VAL 118 lone 2 100 - 2 - HB3 LYS 31 - QG1 VAL 118 lone 2 87 - 2 - Peak 10261 from cnoeabs.peaks (1.57, 0.90, 21.66 ppm; 3.62 A): 2 out of 4 assignments used, quality = 0.58: HB2 LEU 103 + QG1 VAL 118 OK 52 87 - 60 - 3.0/11709=16...(10) HG2 ARG 23 + QG1 VAL 118 OK 12 96 - 12 - 3.0/10260=4, 5.0/6201=2...(4) HG LEU 49 - QG1 VAL 118 lone 8 100 - 8 - 2.1/11549=4 HG LEU 123 - QG1 VAL 118 lone 3 96 - 3 - 11567/11565=1 Peak 10262 from cnoeabs.peaks (1.38, 0.90, 21.66 ppm; 3.90 A): 6 out of 13 assignments used, quality = 0.74: HB2 LEU 42 + QG1 VAL 118 OK 32 100 - 32 - ~9084=10, ~9078=8...(5) HB3 LEU 100 + QG1 VAL 118 OK 25 100 - 25 - ~11916=9, 1.8/10260=8...(4) HB2 LEU 96 + QG1 VAL 118 OK 20 99 - 20 - 3.0/11537=10...(5) QB ALA 29 + QG1 VAL 118 OK 17 99 - 17 - ~10271=6, ~10788=4...(4) HG3 LYS 26 + QG1 VAL 118 OK 14 98 - 15 - 3.0/10260=3, 10264/2.1=3...(5) HG2 LYS 24 + QG1 VAL 118 OK 11 100 - 11 - 10703=4, 10264/2.1=2...(4) QB ALA 28 - QG1 VAL 118 poor 9 92 - 10 - ~10271=3, 10264/2.1=2...(4) HG2 LYS 36 - QG1 VAL 118 lone 5 99 - 5 - 10264/2.1=1, 3.0/10260=1 QB ALA 108 - QG1 VAL 118 lone 5 87 - 6 - ~10279=2, 10264/2.1=1 QB ALA 110 - QG1 VAL 118 lone 3 96 - 3 - QB ALA 15 - QG1 VAL 118 lone 2 96 - 2 - HG3 LYS 95 - QG1 VAL 118 lone 2 81 - 2 - HG2 LYS 95 - QG1 VAL 118 lone 1 65 - 2 - Peak 10263 from cnoeabs.peaks (1.58, 1.01, 22.19 ppm; 3.75 A): 1 out of 2 assignments used, quality = 0.54: HB2 LEU 103 + QG2 VAL 118 OK 54 87 - 62 - 3.2/10265=16...(11) HG2 ARG 23 - QG2 VAL 118 lone 6 73 - 8 - ~10260=3, ~10258=2 Peak 10264 from cnoeabs.peaks (1.38, 1.01, 22.19 ppm; 3.76 A): 7 out of 15 assignments used, quality = 0.79: HB2 LEU 42 + QG2 VAL 118 OK 37 96 - 39 - 3.2/9084=14, 3.0/9078=12...(6) HB3 LEU 100 + QG2 VAL 118 OK 25 98 - 26 - 3.0/11916=13, ~10260=5...(4) HB2 LEU 96 + QG2 VAL 118 OK 19 99 - 20 - ~11537=5, 10262/2.1=4...(6) QB ALA 29 + QG2 VAL 118 OK 18 99 - 18 - 2.1/10271=7, 10262/2.1=3...(5) HG3 LYS 26 + QG2 VAL 118 OK 16 100 - 16 - 3.6/11540=4, 3.6/11540=4...(5) QB ALA 28 + QG2 VAL 118 OK 11 100 - 11 - 2.1/10271=3, 10262/2.1=2...(4) HG2 LYS 24 + QG2 VAL 118 OK 11 98 - 11 - 10703/2.1=4, 4.0/11540=1...(4) QB ALA 108 - QG2 VAL 118 lone 7 99 - 7 - 2.9/10279=3, 3.7/10279=1 HG2 LYS 36 - QG2 VAL 118 lone 7 99 - 7 - 4.0/11540=1, 4.0/11540=1 HG3 LYS 31 - QG2 VAL 118 lone 4 73 - 5 - 3.7/11540=2, 3.7/11540=2 QB ALA 110 - QG2 VAL 118 lone 3 100 - 3 - QB ALA 109 - QG2 VAL 118 lone 2 87 - 3 - 2.9/10279=1 QB ALA 15 - QG2 VAL 118 lone 2 100 - 2 - HG3 LYS 95 - QG2 VAL 118 lone 2 98 - 2 - HG2 LYS 95 - QG2 VAL 118 lone 2 92 - 2 - Peak 10265 from cnoeabs.peaks (0.78, 1.01, 22.19 ppm; 3.31 A): 3 out of 6 assignments used, quality = 0.70: QD1 LEU 103 + QG2 VAL 118 OK 59 99 - 60 - 3.2/10263=19...(10) QG1 VAL 63 + QG2 VAL 118 OK 15 98 - 16 - 11548/2.1=3...(5) QD2 LEU 122 + QG2 VAL 118 OK 13 81 - 16 - 11548/2.1=3, 11549/2.1=2...(5) QD1 ILE 37 - QG2 VAL 118 lone 10 100 - 10 - 11548/2.1=2, 3376/10263=2 QD1 ILE 32 - QG2 VAL 118 lone 8 98 - 9 - 11548/2.1=2, 10780/10271=1 QD1 LEU 96 - QG2 VAL 118 poor 7 73 - 10 - 3.2/10264=2, 11548/2.1=2...(5) Peak 10266 from cnoeabs.peaks (2.34, 1.01, 22.19 ppm; 3.66 A): 0 out of 3 assignments used, low quality = 0.37: HG2 GLN 27 - QG2 VAL 118 OK 23 65 - 35 - 10268/2.1=14, 3.5/3753=4...(12) HG2 GLU 44 - QG2 VAL 118 OK 17 87 - 20 - 1.8/10267=12, 10268/2.1=8 HB VAL 77 - QG2 VAL 118 lone 3 65 - 4 - 3.9/3753=2, 2388/4.3=1 Peak 10267 from cnoeabs.peaks (2.52, 1.01, 22.19 ppm; 4.13 A): 0 out of 4 assignments used, low quality = 0.31: HG3 GLU 44 - QG2 VAL 118 OK 17 73 - 24 - 1.8/10266=18, ~10268=7 HG3 GLU 102 - QG2 VAL 118 OK 16 87 - 19 - 5.0/10065=7, ~11546=5...(4) HB2 ASP 78 - QG2 VAL 118 lone 6 87 - 7 - ~11542=3, ~11161=3 HG3 MET 11 - QG2 VAL 118 lone 5 92 - 5 - ~10651=3, 7471/11417=1 Peak 10268 from cnoeabs.peaks (2.34, 0.90, 21.66 ppm; 4.24 A): 3 out of 3 assignments used, quality = 0.59: HG2 GLN 27 + QG1 VAL 118 OK 39 81 - 48 - 10266/2.1=22, 3.5/3747=5...(14) HG2 GLU 44 + QG1 VAL 118 OK 22 73 - 30 - 10266/2.1=17, ~10267=10 HG2 GLN 127 + QG1 VAL 118 OK 14 65 - 21 - 3.0/11546=5, ~11545=4...(8) Peak 10269 from cnoeabs.peaks (2.53, 0.90, 21.66 ppm; 5.18 A): 0 out of 2 assignments used, low quality = 0.28: HG3 GLU 102 - QG1 VAL 118 OK 28 65 - 42 - 5.0/10067=22...(4) HG3 MET 11 - QG1 VAL 118 poor 7 57 - 11 - 2.9/10651=6...(3) Peak 10270 from cnoeabs.peaks (3.99, 1.01, 22.19 ppm; 3.60 A): 0 out of 4 assignments used, low quality = 0.36: HA GLN 68 - QG2 VAL 118 OK 25 100 - 25 - 3.0/11545=9, 3.6/6929=6...(7) HA VAL 20 - QG2 VAL 118 OK 15 96 - 16 - 340/2.1=3, 3.2/3751=2...(5) HB2 SER 124 - QG2 VAL 118 lone 6 100 - 6 - ~11537=3 HA SER 50 - QG2 VAL 118 lone 3 99 - 3 - Peak 10271 from cnoeabs.peaks (4.23, 1.01, 22.19 ppm; 5.58 A): 0 out of 6 assignments used, low quality = 0.32: HA ALA 29 - QG2 VAL 118 OK 24 100 - 24 - ~10788=7, 2.1/10264=5...(4) HA ALA 28 - QG2 VAL 118 OK 10 73 - 14 - ~6298=4, 2.1/10264=3...(4) HA GLU 30 - QG2 VAL 118 lone 6 96 - 7 - 4.9/10264=4 HB3 SER 38 - QG2 VAL 118 lone 4 81 - 5 - 9033/10278=1 HA SER 94 - QG2 VAL 118 lone 4 98 - 4 - HA ALA 34 - QG2 VAL 118 lone 4 92 - 4 - Peak 10272 from cnoeabs.peaks (4.40, 1.01, 22.19 ppm; 5.33 A): 0 out of 4 assignments used, low quality = 0.33: HA THR 115 - QG2 VAL 118 OK 33 99 - 33 - ~10189=12...(4) HA SER 33 - QG2 VAL 118 lone 5 87 - 5 - 10286/4.3=4 HA SER 9 - QG2 VAL 118 lone 2 65 - 3 - 10286/4.3=1 HA HIS 5 - QG2 VAL 118 lone 1 73 - 1 - Peak 10276 from cnoeabs.peaks (4.96, 1.01, 22.19 ppm; 4.98 A): 1 out of 1 assignment used, quality = 0.61: HA ASN 116 + QG2 VAL 118 OK 61 98 - 62 - 10251/4.0=27...(6) Peak 10277 from cnoeabs.peaks (4.97, 2.06, 31.53 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.82: HA ASN 116 + HB VAL 118 OK 82 100 - 82 - 10276/2.1=45...(9) Peak 10278 from cnoeabs.peaks (7.89, 1.01, 22.19 ppm; 4.12 A): 3 out of 5 assignments used, quality = 0.74: H GLN 104 + QG2 VAL 118 OK 57 99 - 57 - 4.6/10263=20, ~11432=18...(8) H SER 106 + QG2 VAL 118 OK 32 96 - 34 - 7539=7, ~11467=6...(13) H THR 115 + QG2 VAL 118 OK 12 57 - 20 - 3.0/10272=17, 10176/10276=3 H ALA 41 - QG2 VAL 118 lone 8 98 - 8 - 4.6/11534=2...(3) H GLU 128 - QG2 VAL 118 poor 8 65 - 12 - 4.7/11545=4, 3.6/11545=2...(4) Peak 10279 from cnoeabs.peaks (8.09, 1.01, 22.19 ppm; 4.15 A): 3 out of 4 assignments used, quality = 0.65: H LEU 103 + QG2 VAL 118 OK 56 73 - 76 - 3.9/10263=25...(13) HD22 ASN 85 + QG2 VAL 118 OK 11 73 - 16 - ~11544=10, 7657/4.3=2 H ALA 108 + QG2 VAL 118 OK 11 65 - 17 - 4.7/10105=9, 2.9/10264=2 H ALA 109 - QG2 VAL 118 lone 4 81 - 5 - 3.7/10264=1 Peak 10281 from cnoeabs.peaks (7.75, 0.80, 23.00 ppm; 5.48 A): 3 out of 3 assignments used, quality = 0.88: H VAL 118 + QD2 LEU 119 OK 77 99 - 77 - 10254/3.1=26...(11) H GLU 55 + QD2 LEU 119 OK 32 100 - 32 - 6687/4.6=11...(5) HE22 GLN 68 + QD2 LEU 119 OK 25 81 - 31 - 3.5/9478=14, 10282/2.1=7...(6) Peak 10282 from cnoeabs.peaks (7.76, 0.94, 25.07 ppm; 4.89 A): 3 out of 3 assignments used, quality = 0.84: H VAL 118 + QD1 LEU 119 OK 69 99 - 70 - 10254/3.0=21...(9) H GLU 55 + QD1 LEU 119 OK 35 92 - 38 - 3.6/11774=15, 7646/4.6=8...(7) HE22 GLN 68 + QD1 LEU 119 OK 21 98 - 22 - ~9478=8, 10281/2.1=5...(4) Peak 10290 from cnoeabs.peaks (2.82, 1.62, 27.00 ppm; 6.57 A): 2 out of 6 assignments used, quality = 0.88: HB3 ASN 85 + HG LEU 119 OK 84 98 - 85 - 10294/2.1=39...(12) HB3 ASP 71 + HG LEU 119 OK 26 92 - 28 - 3.0/11117=13...(3) HB3 ASN 85 - HG3 ARG 23 poor 10 67 - 14 - 10294/3787=3, ~9799=2...(6) HB2 ASN 13 - HG LEU 119 lone 7 92 - 7 - 10294/2.1=2, 10293/2.1=1 HB2 ASN 13 - HG3 ARG 23 lone 5 60 - 9 - 182/4.6=4, 4.5/460=2 HB3 ASP 71 - HG3 ARG 23 lone 4 60 - 6 - 3.0/11117=3 Peak 10291 from cnoeabs.peaks (2.83, 1.87, 40.68 ppm; 6.39 A): 1 out of 1 assignment used, quality = 0.81: HB3 ASN 85 + HB3 LEU 119 OK 81 92 - 88 - 10284/3.9=42...(12) Peak 10292 from cnoeabs.peaks (2.93, 0.80, 23.00 ppm; 5.58 A): 3 out of 5 assignments used, quality = 0.94: HB3 ASN 116 + QD2 LEU 119 OK 92 100 - 92 - 10295/2.1=36...(9) HE2 LYS 39 + QD2 LEU 119 OK 16 100 - 15 - 10295/2.1=4, 10285/4.6=4...(5) HE3 LYS 39 + QD2 LEU 119 OK 13 92 - 14 - 10295/2.1=4, ~10295=4 HG CYS 73 - QD2 LEU 119 lone 7 96 - 7 - 10285/4.6=3, 10295/2.1=1 HD2 ARG 135 - QD2 LEU 119 lone 6 87 - 7 - 3652/10232=2, 7629/11558=1 Peak 10293 from cnoeabs.peaks (2.82, 0.80, 23.00 ppm; 6.20 A): 2 out of 3 assignments used, quality = 0.91: HB3 ASN 85 + QD2 LEU 119 OK 89 100 - 89 - 10294/2.1=41...(12) HB3 ASP 71 + QD2 LEU 119 OK 22 65 - 33 - ~11117=20, 10294/2.1=8 HB2 ASN 13 - QD2 LEU 119 lone 4 65 - 6 - 10290/2.1=2, 10294/2.1=2 Peak 10294 from cnoeabs.peaks (2.82, 0.94, 25.07 ppm; 4.10 A): 2 out of 3 assignments used, quality = 0.57: HB3 ASN 85 + QD1 LEU 119 OK 52 100 - 52 - 9793/2.1=15...(11) HB3 ASP 71 + QD1 LEU 119 OK 10 73 - 14 - ~11117=9, 10293/2.1=3 HB2 ASN 13 - QD1 LEU 119 lone 2 73 - 3 - Peak 10295 from cnoeabs.peaks (2.93, 0.94, 25.07 ppm; 3.94 A): 1 out of 4 assignments used, quality = 0.68: HB3 ASN 116 + QD1 LEU 119 OK 68 92 - 74 - 3.5/11553=19...(11) HE2 LYS 39 - QD1 LEU 119 lone 8 98 - 8 - 10285/4.6=2, 10292/2.1=2 HE3 LYS 39 - QD1 LEU 119 lone 7 100 - 7 - 10285/4.6=2, ~10292=2 HG CYS 73 - QD1 LEU 119 lone 3 73 - 3 - 10285/4.6=1 Peak 10296 from cnoeabs.peaks (4.29, 0.94, 25.07 ppm; 4.03 A): 4 out of 14 assignments used, quality = 0.77: HA LEU 22 + QD1 LEU 119 OK 39 65 - 60 - 2.9/3799=13, 2.9/3801=9...(17) HA ARG 23 + QD1 LEU 119 OK 34 100 - 34 - 421/2.1=6, 3.8/3787=4...(11) HA GLN 61 + QD1 LEU 119 OK 28 92 - 30 - 5.7/9371=11, 3.8/10987=7...(4) HA ALA 110 + QD1 LEU 119 OK 20 99 - 20 - 3.6/10121=17...(3) HA ALA 108 - QD1 LEU 119 poor 10 65 - 15 - 3.0/3804=3, ~11488=2...(7) HA ALA 12 - QD1 LEU 119 lone 8 100 - 8 - 3.0/11559=3, 10211/10218=1 HA ALA 109 - QD1 LEU 119 lone 5 65 - 7 - 7577/10121=2, 3.0/3804=1 HA LYS 31 - QD1 LEU 119 lone 4 65 - 7 - ~10802=4 HA ALA 15 - QD1 LEU 119 lone 4 100 - 4 - 10211/10218=1 HA ALA 16 - QD1 LEU 119 lone 2 57 - 3 - HA ALA 21 - QD1 LEU 119 lone 1 96 - 2 - HA THR 25 - QD1 LEU 119 lone 1 92 - 1 - HA THR 18 - QD1 LEU 119 lone 1 87 - 1 - HA SER 74 - QD1 LEU 119 lone 1 92 - 1 - Peak 10300 from cnoeabs.peaks (4.02, 2.80, 37.77 ppm; 4.44 A): 8 out of 21 assignments used, quality = 0.93: HA LEU 119 + HB3 ASN 120 OK 41 98 - 42 - 3.6/7671=16, 7691/4.4=11...(8) HA LEU 119 + HB2 ASN 120 OK 41 98 - 42 - 3.6/7671=16, 7691/4.4=11...(8) HA LEU 119 + HB2 ASN 121 OK 40 81 - 50 - 3762/4.3=20, 7691/3.8=13...(8) HB3 SER 124 + HB2 ASN 121 OK 39 62 - 62 - 3974/3.0=23, ~3968=20...(6) HB3 SER 124 + HB2 ASN 120 OK 18 81 - 23 - 7691/4.4=9, 4.0/10352=7...(5) HB3 SER 124 + HB3 ASN 120 OK 18 81 - 23 - 7691/4.4=9, 4.0/10352=7...(5) HA LEU 103 + HB2 ASN 120 OK 13 87 - 15 - 7663/3.8=3, 4.1/10307=2...(5) HA LEU 103 + HB3 ASN 120 OK 13 87 - 15 - 7663/3.8=3, 4.1/10307=2...(5) HA LEU 103 - HB2 ASN 121 poor 9 68 - 13 - 7719/4.3=5, 4.1/10307=3...(5) HA ILE 37 - HB2 ASN 120 lone 7 99 - 7 - 7663/3.8=4, 7691/4.4=2 HA ILE 37 - HB3 ASN 120 lone 7 99 - 7 - 7663/3.8=4, 7691/4.4=2 HA ILE 37 - HB2 ASN 121 lone 5 83 - 7 - 7719/4.3=2, 7691/3.8=2 HA LYS 95 - HB2 ASN 121 lone 3 81 - 3 - HA LYS 95 - HB2 ASN 120 lone 3 98 - 3 - HA LYS 95 - HB3 ASN 120 lone 3 98 - 3 - HA ARG 135 - HB3 ASN 120 lone 2 92 - 2 - HA ARG 135 - HB2 ASN 120 lone 2 92 - 2 - HA ARG 135 - HB2 ASN 121 lone 2 73 - 2 - HB2 SER 38 - HB3 ASN 120 lone 1 73 - 1 - HB2 SER 38 - HB2 ASN 120 lone 1 73 - 1 - HB2 SER 38 - HB2 ASN 121 lone 1 56 - 1 - Peak 10301 from cnoeabs.peaks (2.36, 2.80, 37.77 ppm; 4.95 A): 2 out of 12 assignments used, quality = 0.95: HB2 PRO 117 + HB3 ASN 120 OK 78 99 - 78 - 10242=24, 2.3/11561=22...(7) HB2 PRO 117 + HB2 ASN 120 OK 78 99 - 78 - 10242=24, 2.3/11561=22...(7) HB2 PRO 117 - HB2 ASN 121 lone 4 83 - 4 - 2.3/11561=2, 10242=1 HG2 GLU 102 - HB3 ASN 120 lone 3 92 - 4 - 3354/3.8=2 HG2 GLU 102 - HB2 ASN 120 lone 3 92 - 4 - 3354/3.8=2 HG3 GLN 27 - HB2 ASN 120 lone 2 92 - 3 - 3688/11561=1 HG3 GLN 27 - HB3 ASN 120 lone 2 92 - 3 - 3688/11561=1 HG2 GLU 102 - HB2 ASN 121 lone 2 73 - 2 - HG3 GLN 27 - HB2 ASN 121 lone 1 73 - 2 - HG2 GLN 127 - HB3 ASN 120 lone 1 65 - 2 - HG2 GLN 127 - HB2 ASN 120 lone 1 65 - 2 - HG2 GLN 127 - HB2 ASN 121 lone 1 49 - 2 - Peak 10302 from cnoeabs.peaks (2.03, 2.80, 37.77 ppm; 4.49 A): 0 out of 21 assignments used, low quality = 0.16: HG2 PRO 58 - HB2 ASN 121 OK 16 62 - 26 - ~10336=11, ~10325=8...(5) HB3 GLU 40 - HB2 ASN 121 poor 9 83 - 11 - ~10335=10 HB3 GLU 91 - HB2 ASN 121 lone 7 84 - 8 - 2869/3.8=6, 4.0/3828=1 HB3 GLU 91 - HB2 ASN 120 lone 7 100 - 7 - 2869/4.4=5 HB3 GLU 91 - HB3 ASN 120 lone 7 100 - 7 - 2869/4.4=5 QE MET 11 - HB2 ASN 120 lone 6 81 - 7 - ~155=2, 10298/3.8=2...(4) QE MET 11 - HB3 ASN 120 lone 6 81 - 7 - ~155=2, 10298/3.8=2...(4) HG2 PRO 58 - HB2 ASN 120 lone 4 81 - 4 - 10316/4.4=1, ~3839=1 HG2 PRO 58 - HB3 ASN 120 lone 4 81 - 4 - 10316/4.4=1, ~3839=1 HB3 GLU 55 - HB3 ASN 120 lone 2 73 - 2 - 10298/3.8=2 HB3 GLU 55 - HB2 ASN 120 lone 2 73 - 2 - 10298/3.8=2 HG3 ARG 135 - HB2 ASN 120 lone 1 100 - 1 - HG3 ARG 135 - HB3 ASN 120 lone 1 100 - 1 - HB3 GLU 40 - HB3 ASN 120 lone 1 99 - 1 - HB3 GLU 40 - HB2 ASN 120 lone 1 99 - 1 - HG3 ARG 135 - HB2 ASN 121 lone 1 84 - 1 - QE MET 11 - HB2 ASN 121 lone 1 62 - 1 - HB2 GLU 44 - HB2 ASN 120 lone 1 57 - 1 - HB2 GLU 44 - HB3 ASN 120 lone 1 57 - 1 - HB3 GLU 55 - HB2 ASN 121 lone 1 56 - 1 - HB2 GLU 44 - HB2 ASN 121 lone 1 42 - 1 - Peak 10303 from cnoeabs.peaks (1.86, 2.80, 37.77 ppm; 4.75 A): 2 out of 6 assignments used, quality = 0.97: HB3 LEU 123 + HB3 ASN 120 OK 81 100 - 82 - 11564/3.0=33, ~11566=20...(13) HB3 LEU 123 + HB2 ASN 120 OK 81 100 - 82 - 11564/3.0=33, ~11566=20...(13) HB3 LEU 119 - HB2 ASN 120 OK 23 81 - 29 - 7665/3.8=16, 2.9/10300=5...(5) HB3 LEU 119 - HB3 ASN 120 OK 23 81 - 29 - 7665/3.8=16, 2.9/10300=5...(5) HB3 LEU 123 - HB2 ASN 121 OK 22 84 - 26 - 4.6/10352=11, ~10331=5...(7) HB3 LEU 119 - HB2 ASN 121 OK 15 62 - 24 - ~3838=7, 4.6/7670=7...(5) Peak 10305 from cnoeabs.peaks (1.64, 2.80, 37.77 ppm; 4.58 A): 3 out of 21 assignments used, quality = 0.84: HB2 LEU 123 + HB3 ASN 120 OK 55 73 - 75 - ~11564=25, 11566/3.0=23...(12) HB2 LEU 123 + HB2 ASN 120 OK 55 73 - 75 - ~11564=25, 11566/3.0=23...(12) HB2 LEU 123 + HB2 ASN 121 OK 19 56 - 35 - ~10323=16, 4.6/10352=10...(7) HD3 LYS 19 - HB3 ASN 120 lone 5 81 - 7 - 11566/3.0=2, ~11566=2, ~3813=2 HD2 LYS 19 - HB2 ASN 120 lone 5 81 - 7 - 11566/3.0=2, ~11566=2, ~3813=2 HD2 LYS 19 - HB3 ASN 120 lone 5 81 - 7 - 11566/3.0=2, ~11566=2, ~3813=2 HD3 LYS 19 - HB2 ASN 120 lone 5 81 - 7 - 11566/3.0=2, ~11566=2, ~3813=2 HG LEU 62 - HB2 ASN 120 lone 3 87 - 3 - 11566/3.0=2 HG LEU 62 - HB3 ASN 120 lone 3 87 - 3 - 11566/3.0=2 HG LEU 62 - HB2 ASN 121 lone 3 68 - 4 - 10331/3.5=2 HG LEU 43 - HB2 ASN 121 lone 3 84 - 3 - 10331/3.5=1 HD3 LYS 19 - HB2 ASN 121 lone 3 62 - 4 - 10331/3.5=2, ~10331=1 HD2 LYS 19 - HB2 ASN 121 lone 3 62 - 4 - 10331/3.5=2, ~10331=1 HG LEU 43 - HB2 ASN 120 lone 2 100 - 2 - HG LEU 43 - HB3 ASN 120 lone 2 100 - 2 - HG3 ARG 84 - HB2 ASN 121 lone 2 73 - 3 - ~10323=2 HG2 ARG 84 - HB2 ASN 121 lone 2 73 - 3 - ~10323=2 HG2 ARG 84 - HB3 ASN 120 lone 1 92 - 1 - HG2 ARG 84 - HB2 ASN 120 lone 1 92 - 1 - HG3 ARG 84 - HB2 ASN 120 lone 1 92 - 1 - HG3 ARG 84 - HB3 ASN 120 lone 1 92 - 1 - Peak 10306 from cnoeabs.peaks (0.89, 2.80, 37.77 ppm; 4.24 A): 5 out of 12 assignments used, quality = 0.95: QD2 LEU 123 + HB2 ASN 120 OK 60 87 - 69 - ~11564=14, ~11566=11...(15) QD2 LEU 123 + HB3 ASN 120 OK 60 87 - 69 - ~11564=14, ~11566=11...(15) QG1 VAL 118 + HB2 ASN 121 OK 39 49 - 81 - 10329/3.5=19...(13) QG1 VAL 118 + HB3 ASN 120 OK 27 65 - 42 - 11565/3.0=14...(11) QG1 VAL 118 + HB2 ASN 120 OK 27 65 - 42 - 11565/3.0=14...(11) QD2 LEU 123 - HB2 ASN 121 OK 15 68 - 23 - ~10323=10, ~10331=3...(6) QG2 VAL 20 - HB2 ASN 121 OK 14 84 - 16 - 11748/4.3=5, 10329/3.5=3...(5) QD1 LEU 22 - HB2 ASN 121 poor 9 77 - 12 - 11748/4.3=3, 10329/3.5=3...(4) QD1 LEU 22 - HB2 ASN 120 lone 8 96 - 8 - 11565/3.0=5 QD1 LEU 22 - HB3 ASN 120 lone 8 96 - 8 - 11565/3.0=5 QG2 VAL 20 - HB2 ASN 120 lone 6 100 - 6 - 11565/3.0=2 QG2 VAL 20 - HB3 ASN 120 lone 6 100 - 6 - 11565/3.0=2 Peak 10307 from cnoeabs.peaks (0.79, 2.80, 37.77 ppm; 4.49 A): 0 out of 15 assignments used, low quality = 0.41: QD2 LEU 122 - HB2 ASN 121 OK 22 83 - 27 - 3900/4.3=25 QD1 LEU 53 - HB2 ASN 121 OK 13 73 - 18 - ~10328=10, 10334/3.5=6 QD1 LEU 103 - HB2 ASN 121 OK 12 62 - 19 - 11714/4.3=13...(3) QD2 LEU 122 - HB3 ASN 120 lone 9 99 - 9 - 5.1/7724=7 QD2 LEU 122 - HB2 ASN 120 lone 9 99 - 9 - 5.1/7724=7 QD1 LEU 103 - HB2 ASN 120 poor 8 81 - 11 - 3396/3.8=3, 11714/7724=2...(4) QD1 LEU 103 - HB3 ASN 120 poor 8 81 - 11 - 3396/3.8=3, 11714/7724=2...(4) QG1 VAL 63 - HB3 ASN 120 lone 4 87 - 5 - 4.3/6829=2 QG1 VAL 63 - HB2 ASN 120 lone 4 87 - 5 - 4.3/6829=2 QG1 VAL 63 - HB2 ASN 121 lone 4 68 - 5 - 7733/4.3=1, 4.3/6829=1 QD1 LEU 53 - HB2 ASN 120 lone 3 92 - 4 - 7667/3.8=1 QD1 LEU 53 - HB3 ASN 120 lone 3 92 - 4 - 7667/3.8=1 QD2 LEU 49 - HB3 ASN 120 lone 3 73 - 4 - 7667/3.8=1, 11422/10306=1 QD2 LEU 49 - HB2 ASN 120 lone 3 73 - 4 - 7667/3.8=1, 11422/10306=1 QD2 LEU 49 - HB2 ASN 121 lone 2 56 - 3 - 10334/3.5=1 Peak 10323 from cnoeabs.peaks (1.81, 4.49, 56.15 ppm; 4.63 A): 0 out of 5 assignments used, low quality = 0.19: HB3 LEU 123 - HA ASN 121 OK 19 53 - 36 - 4.6/7758=25, 3.9/7740=10 HB2 ARG 84 - HA ASN 121 lone 3 99 - 3 - ~2530=2 HB3 LYS 31 - HA ASN 121 lone 2 92 - 2 - HB3 LYS 19 - HA ASN 121 lone 1 92 - 1 - HB3 LYS 24 - HA ASN 121 lone 1 81 - 1 - Peak 10324 from cnoeabs.peaks (0.90, 4.49, 56.15 ppm; 4.94 A): 3 out of 3 assignments used, quality = 0.94: QG1 VAL 118 + HA ASN 121 OK 90 99 - 90 - 11538/3.0=31...(16) QG2 VAL 20 + HA ASN 121 OK 26 87 - 30 - 11748/3.6=9, ~10322=8...(7) QD1 LEU 22 + HA ASN 121 OK 19 98 - 19 - 11565/4.9=7, 11748/3.6=5...(4) Peak 10325 from cnoeabs.peaks (2.07, 2.98, 37.82 ppm; 4.93 A): 2 out of 6 assignments used, quality = 0.62: HB VAL 118 + HB3 ASN 121 OK 49 57 - 85 - 2.1/11538=32...(11) HG3 PRO 58 + HB3 ASN 121 OK 27 92 - 29 - ~10336=14, ~10302=7...(5) HB2 LEU 62 - HB3 ASN 121 lone 2 57 - 3 - ~10331=2 HB3 GLN 27 - HB3 ASN 121 lone 2 87 - 2 - HG3 PRO 113 - HB3 ASN 121 lone 1 87 - 1 - HB2 GLN 127 - HB3 ASN 121 lone 1 57 - 2 - Peak 10327 from cnoeabs.peaks (0.98, 2.98, 37.82 ppm; 6.80 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10337 from cnoeabs.peaks (1.39, 0.79, 26.05 ppm; 3.69 A): 0 out of 13 assignments used, low quality = 0.23: QB ALA 29 - QD2 LEU 122 OK 13 65 - 19 - 3.7/3907=9, 2.1/10780=7...(4) QB ALA 28 - QD2 LEU 122 OK 11 87 - 13 - 2.1/10776=8, 11488=3 QB ALA 108 - QD2 LEU 122 lone 6 92 - 7 - 2.9/11486=4, 11488=2 HB2 LEU 96 - QD2 LEU 122 lone 4 65 - 6 - 3.0/3901=2 QB ALA 109 - QD2 LEU 122 lone 3 100 - 3 - HG LEU 96 - QD2 LEU 122 lone 2 73 - 3 - 3.7/3901=2 HG3 LYS 26 - QD2 LEU 122 lone 2 73 - 3 - 3.0/10751=1 HG2 LYS 36 - QD2 LEU 122 lone 2 65 - 3 - 5.0/10893=1 HG2 LYS 95 - QD2 LEU 122 lone 2 99 - 2 - HG3 LYS 95 - QD2 LEU 122 lone 2 96 - 2 - QB ALA 110 - QD2 LEU 122 lone 1 81 - 1 - QB ALA 15 - QD2 LEU 122 lone 1 81 - 1 - HG3 LYS 31 - QD2 LEU 122 lone 1 100 - 1 - Peak 10338 from cnoeabs.peaks (0.66, 0.97, 25.20 ppm; 3.62 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10347 from cnoeabs.peaks (0.67, 0.93, 23.65 ppm; 3.79 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10348 from cnoeabs.peaks (0.68, 0.88, 25.36 ppm; 4.25 A): 2 out of 2 assignments used, quality = 0.62: QD2 LEU 62 + QD2 LEU 123 OK 47 99 - 48 - 2001/3.2=8, 1998/3.9=7...(14) QD2 LEU 100 + QD2 LEU 123 OK 27 100 - 27 - 3.2/11421=5...(12) Peak 10349 from cnoeabs.peaks (4.00, 0.88, 25.36 ppm; 4.06 A): 2 out of 5 assignments used, quality = 0.61: HB2 SER 124 + QD2 LEU 123 OK 51 87 - 58 - 4.0/3951=19...(6) HA SER 50 + QD2 LEU 123 OK 21 92 - 23 - 11772/2.1=6, ~6620=4...(9) HB3 SER 99 - QD2 LEU 123 lone 7 96 - 7 - 3.7/7381=3, ~11573=1 HA GLN 68 - QD2 LEU 123 lone 4 73 - 6 - 11772/2.1=1, 3.0/11048=1 HA SER 60 - QD2 LEU 123 lone 1 73 - 1 - Peak 10350 from cnoeabs.peaks (4.31, 0.74, 25.24 ppm; 5.71 A): 3 out of 3 assignments used, quality = 0.61: HA2 GLY 75 + QD2 LEU 103 OK 33 92 - 36 - 2.9/11711=12...(4) HA TYR 76 + QD2 LEU 103 OK 31 100 - 31 - 11710/2.1=15, ~9610=9...(5) HA ASP 131 + QD2 LEU 103 OK 15 92 - 17 - 7939/10593=7...(3) Peak 10351 from cnoeabs.peaks (8.90, 0.93, 23.65 ppm; 5.64 A): 0 out of 2 assignments used, low quality = 0.17: H GLY 66 - QD1 LEU 123 OK 17 100 - 17 - 6847/4.0=7, ~11033=7 H ASN 59 - QD1 LEU 123 poor 9 65 - 13 - 9350/2.1=12 Peak 10355 from cnoeabs.peaks (2.78, 4.03, 62.56 ppm; 5.10 A): 0 out of 2 assignments used, low quality = 0.00: HB2 ASP 131 - HB3 SER 124 lone 1 81 - 1 - HB3 ASN 13 - HB3 SER 124 lone 1 73 - 1 - Peak 10370 from cnoeabs.peaks (1.84, 4.24, 61.64 ppm; 5.32 A): 1 out of 2 assignments used, quality = 0.90: HB3 LEU 123 + HA SER 124 OK 90 97 - 93 - ~3926=32, 3.2/11587=28...(13) HB2 CYS 79 - HA SER 124 lone 6 98 - 6 - 3.9/3964=3, 2426/3.6=1 Peak 10371 from cnoeabs.peaks (1.61, 4.03, 62.56 ppm; 5.38 A): 2 out of 5 assignments used, quality = 0.67: HB2 LEU 122 + HB3 SER 124 OK 47 99 - 47 - 3.1/10373=19...(7) HG LEU 122 + HB3 SER 124 OK 37 87 - 43 - 2.1/10373=22, 4.6/7719=9...(7) HG LEU 22 - HB3 SER 124 lone 8 87 - 9 - 2.1/10725=3, 10363/4.5=2 HB3 LEU 22 - HB3 SER 124 lone 8 87 - 9 - 3.1/10725=3, 10363/4.5=2 HG LEU 70 - HB3 SER 124 lone 3 100 - 3 - Peak 10372 from cnoeabs.peaks (0.92, 4.03, 62.56 ppm; 3.88 A): 2 out of 4 assignments used, quality = 0.68: QD1 LEU 123 + HB3 SER 124 OK 51 92 - 56 - 11772/1.8=18...(7) QD1 LEU 48 + HB3 SER 124 OK 34 100 - 34 - 3.1/10958=19, 7767/4.0=4...(7) QG2 VAL 112 - HB3 SER 124 lone 5 100 - 5 - 7767/4.0=2 QD1 LEU 62 - HB3 SER 124 lone 3 65 - 5 - ~3966=2, 11001/1.8=1 Peak 10373 from cnoeabs.peaks (0.78, 4.03, 62.56 ppm; 4.21 A): 0 out of 6 assignments used, low quality = 0.30: QD2 LEU 122 - HB3 SER 124 OK 22 81 - 27 - 3.1/10371=9, 2.1/10371=8...(6) QG1 VAL 63 - HB3 SER 124 OK 11 98 - 11 - 11019/1.8=8, ~9217=1 QD1 ILE 37 - HB3 SER 124 lone 6 100 - 6 - ~9004=1 QD1 LEU 103 - HB3 SER 124 lone 6 99 - 6 - 11714/7719=2 QD1 ILE 32 - HB3 SER 124 lone 2 98 - 2 - QD1 LEU 96 - HB3 SER 124 lone 1 73 - 1 - Peak 10376 from cnoeabs.peaks (1.42, 4.35, 62.64 ppm; 4.69 A): 0 out of 2 assignments used, low quality = 0.44: HG2 LYS 86 - HA CYS 125 OK 34 100 - 34 - 10380/3.0=11...(6) QB ALA 34 - HA CYS 125 OK 15 100 - 15 - 10380/3.0=5...(4) Peak 10378 from cnoeabs.peaks (0.79, 4.35, 62.64 ppm; 5.09 A): 4 out of 6 assignments used, quality = 0.65: QD1 LEU 53 + HA CYS 125 OK 34 87 - 39 - 10399/3.6=15...(5) QD2 LEU 122 + HA CYS 125 OK 24 100 - 24 - 10399/3.6=11...(3) QD2 LEU 49 + HA CYS 125 OK 21 65 - 33 - ~11597=9, ~11596=9...(5) QG1 VAL 63 + HA CYS 125 OK 11 92 - 12 - 10399/3.6=3...(3) QD1 ILE 37 - HA CYS 125 poor 7 65 - 11 - ~10386=6, 9024/7965=2 QD1 LEU 103 - HA CYS 125 lone 5 87 - 5 - 11626/4095=2, 10399/3.6=1 Peak 10379 from cnoeabs.peaks (0.64, 4.35, 62.64 ppm; 5.95 A): 1 out of 1 assignment used, quality = 0.79: QD1 ILE 129 + HA CYS 125 OK 79 98 - 81 - 10400/3.6=35...(13) Peak 10380 from cnoeabs.peaks (1.41, 2.74, 27.12 ppm; 4.73 A): 0 out of 3 assignments used, low quality = 0.12: HG2 LYS 86 - HB2 CYS 125 OK 12 65 - 19 - 10376/3.0=12, ~11592=7 QB ALA 34 - HB2 CYS 125 lone 5 81 - 6 - 10376/3.0=5 QB ALA 16 - HB2 CYS 125 lone 1 81 - 1 - Peak 10381 from cnoeabs.peaks (0.96, 2.74, 27.12 ppm; 5.26 A): 3 out of 5 assignments used, quality = 0.77: QG1 VAL 126 + HB2 CYS 125 OK 46 92 - 50 - 7798/4.7=19...(5) QG2 VAL 126 + HB2 CYS 125 OK 46 99 - 46 - 4021/4.7=24, ~10395=16...(4) QD2 LEU 53 + HB2 CYS 125 OK 21 92 - 23 - 9260/3.0=9, ~10378=8, 7799/4.7=6 QG1 VAL 105 - HB2 CYS 125 lone 4 99 - 4 - 7798/4.7=1 QG1 VAL 112 - HB2 CYS 125 lone 2 87 - 2 - Peak 10382 from cnoeabs.peaks (0.75, 2.74, 27.12 ppm; 4.02 A): 4 out of 4 assignments used, quality = 0.77: QD2 LEU 96 + HB2 CYS 125 OK 60 98 - 61 - ~10387=21, ~9987=20...(6) HG12 ILE 129 + HB2 CYS 125 OK 23 99 - 23 - ~10379=11, 2.1/10383=8 QD2 LEU 43 + HB2 CYS 125 OK 14 98 - 15 - ~11591=4, 11091/3.9=3...(5) QG1 VAL 93 + HB2 CYS 125 OK 13 99 - 13 - ~9955=6, 2.1/9959=3 Peak 10383 from cnoeabs.peaks (0.63, 2.74, 27.12 ppm; 5.35 A): 2 out of 2 assignments used, quality = 0.58: QD1 LEU 42 + HB2 CYS 125 OK 41 100 - 41 - 9102/3.0=15, 9094=14...(7) QD1 ILE 129 + HB2 CYS 125 OK 29 73 - 39 - 10400/4.7=12...(8) Peak 10384 from cnoeabs.peaks (2.06, 3.21, 27.12 ppm; 6.27 A): 0 out of 7 assignments used, low quality = 0.30: HB2 GLN 127 - HB3 CYS 125 OK 17 87 - 20 - ~3987=8, ~11594=8, 11557/10386=2 HB3 GLN 27 - HB3 CYS 125 OK 15 99 - 15 - ~11592=6, ~11594=6 HG3 PRO 113 - HB3 CYS 125 poor 10 99 - 10 - 1.8/11597=4, 11557/10386=3 HB2 LEU 62 - HB3 CYS 125 lone 8 87 - 10 - 9395/9987=3, ~11591=2 HB VAL 118 - HB3 CYS 125 lone 6 87 - 7 - 11557/10386=3 HG3 PRO 58 - HB3 CYS 125 lone 6 65 - 9 - 11557/10386=3, ~11592=2 HG2 PRO 117 - HB3 CYS 125 lone 3 65 - 4 - ~11594=2 Peak 10385 from cnoeabs.peaks (1.39, 3.21, 27.12 ppm; 4.65 A): 1 out of 5 assignments used, quality = 0.70: HG LEU 96 + HB3 CYS 125 OK 70 98 - 71 - 2.1/10387=36, 11827=31...(6) HG3 LYS 31 - HB3 CYS 125 lone 3 96 - 3 - 3103/10387=2 HG2 LYS 95 - HB3 CYS 125 lone 2 81 - 2 - QB ALA 109 - HB3 CYS 125 lone 1 87 - 1 - HG3 LYS 95 - HB3 CYS 125 lone 1 65 - 2 - Peak 10386 from cnoeabs.peaks (0.94, 3.21, 27.12 ppm; 4.76 A): 0 out of 3 assignments used, low quality = 0.24: QD1 LEU 119 - HB3 CYS 125 OK 24 100 - 24 - ~11595=22 QG2 ILE 37 - HB3 CYS 125 poor 10 81 - 12 - 10911/10385=5...(3) QG1 VAL 57 - HB3 CYS 125 lone 2 87 - 2 - Peak 10387 from cnoeabs.peaks (0.77, 3.21, 27.12 ppm; 3.92 A): 1 out of 5 assignments used, quality = 0.60: QD1 LEU 96 + HB3 CYS 125 OK 60 99 - 60 - 9987=27, 2.1/10385=24...(5) QD1 ILE 37 - HB3 CYS 125 lone 8 92 - 9 - 3.0/10386=6, 3089/10385=1 QD1 ILE 32 - HB3 CYS 125 lone 3 98 - 3 - 3089/10385=2 QD1 LEU 103 - HB3 CYS 125 lone 1 73 - 2 - QG1 VAL 63 - HB3 CYS 125 lone 1 65 - 1 - Peak 10388 from cnoeabs.peaks (0.62, 3.21, 27.12 ppm; 6.80 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10391 from cnoeabs.peaks (3.44, 4.35, 62.64 ppm; 5.91 A): 1 out of 1 assignment used, quality = 0.99: HA VAL 126 + HA CYS 125 OK 99 99 - 100 - 5.0=100 Peak 10393 from cnoeabs.peaks (3.85, 0.96, 22.68 ppm; 3.44 A): 0 out of 5 assignments used, low quality = 0.36: HA LEU 123 - QG1 VAL 126 OK 21 73 - 28 - 3917/2.1=9, 3.7/11615=7...(5) HD2 PRO 81 - QG1 VAL 126 OK 20 96 - 21 - 4.0/11613=11...(6) HA LEU 62 - QG1 VAL 126 poor 9 57 - 16 - 3.6/4020=5, 4008/2.1=3...(6) HD2 PRO 117 - QG1 VAL 126 lone 8 96 - 9 - 4.8/10230=4, 10392/4.0=1 HB3 SER 33 - QG1 VAL 126 lone 3 96 - 3 - 10392/4.0=1 Peak 10394 from cnoeabs.peaks (3.98, 0.96, 22.68 ppm; 3.70 A): 3 out of 5 assignments used, quality = 0.49: HA GLU 91 + QG1 VAL 126 OK 32 92 - 35 - 3.0/11618=10, 2855/2.1=8...(8) HB3 SER 51 + QG1 VAL 126 OK 14 96 - 15 - 4.6/11602=14 HA GLN 68 + QG1 VAL 126 OK 11 73 - 15 - 3.0/11620=11, 3.6/4015=2 HA VAL 20 - QG1 VAL 126 lone 5 92 - 6 - HB3 SER 106 - QG1 VAL 126 lone 4 81 - 5 - 4.0/7538=3 Peak 10395 from cnoeabs.peaks (4.35, 0.96, 22.68 ppm; 5.79 A): 2 out of 3 assignments used, quality = 0.72: HA CYS 125 + QG1 VAL 126 OK 67 96 - 70 - 3.6/4015=28...(8) HA GLN 134 + QG1 VAL 126 OK 14 99 - 14 - 7793/4.0=8, 7782/10365=3...(4) HA ASP 47 - QG1 VAL 126 poor 9 73 - 13 - 6613/11601=10, 1470/9173=1 Peak 10396 from cnoeabs.peaks (3.87, 0.96, 23.84 ppm; 3.65 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10397 from cnoeabs.peaks (4.01, 0.96, 23.84 ppm; 4.13 A): 0 out of 7 assignments used, low quality = 0.16: HB2 SER 38 - QG2 VAL 126 OK 16 100 - 16 - ~10924=14 HA LYS 95 - QG2 VAL 126 lone 8 87 - 10 - 11724/11614=7 HA SER 60 - QG2 VAL 126 lone 7 96 - 7 - 1901/4.4=3, 1901/4026=2 HB3 SER 99 - QG2 VAL 126 lone 7 73 - 9 - 3.7/4021=4, 3215/4.0=2 HA LEU 103 - QG2 VAL 126 lone 4 98 - 4 - HA ARG 135 - QG2 VAL 126 lone 1 96 - 1 - HA ILE 37 - QG2 VAL 126 lone 1 81 - 1 - Peak 10401 from cnoeabs.peaks (0.80, 3.43, 67.09 ppm; 4.09 A): 2 out of 3 assignments used, quality = 0.70: QD1 LEU 53 + HA VAL 126 OK 60 98 - 61 - 11614/3.2=26...(13) QD2 LEU 49 + HA VAL 126 OK 25 100 - 24 - ~11615=9, 11614/3.2=9...(5) QD2 LEU 119 - HA VAL 126 lone 4 96 - 4 - 11614/3.2=2 Peak 10402 from cnoeabs.peaks (0.65, 3.43, 67.09 ppm; 3.94 A): 1 out of 1 assignment used, quality = 0.51: QD1 ILE 129 + HA VAL 126 OK 51 65 - 77 - 3.0/11631=33...(11) Peak 10403 from cnoeabs.peaks (1.35, 3.43, 67.09 ppm; 6.11 A): 0 out of 1 assignment used, low quality = 0.31: QB ALA 12 - HA VAL 126 OK 31 81 - 39 - 11617/3.0=23, ~11599=10 Peak 10404 from cnoeabs.peaks (1.42, 3.43, 67.09 ppm; 6.37 A): 3 out of 3 assignments used, quality = 0.71: QB ALA 92 + HA VAL 126 OK 43 81 - 53 - ~11604=12...(10) HG2 LYS 86 + HA VAL 126 OK 38 99 - 39 - 10376/5.0=25...(6) QB ALA 34 + HA VAL 126 OK 18 96 - 19 - 10376/5.0=11, ~11599=2...(5) Peak 10406 from cnoeabs.peaks (1.75, 3.43, 67.09 ppm; 6.76 A): 1 out of 7 assignments used, quality = 0.64: HG13 ILE 129 + HA VAL 126 OK 64 65 - 98 - 2.1/10402=50...(10) HB2 LYS 19 - HA VAL 126 lone 9 98 - 9 - ~11617=4, 7886/7877=1 HB2 LYS 26 - HA VAL 126 lone 9 98 - 9 - 7872/7859=2, 4133/4127=1 HB2 LYS 39 - HA VAL 126 poor 8 73 - 11 - 4.7/4000=2, ~1170=2...(5) HB2 ARG 23 - HA VAL 126 lone 5 99 - 5 - ~11615=2 HB2 LYS 24 - HA VAL 126 lone 4 87 - 5 - HB2 LYS 31 - HA VAL 126 lone 3 57 - 6 - Peak 10407 from cnoeabs.peaks (0.79, 2.10, 31.38 ppm; 4.08 A): 4 out of 6 assignments used, quality = 0.70: QD1 LEU 53 + HB VAL 126 OK 46 87 - 53 - 1676/2.1=11...(10) QD2 LEU 122 + HB VAL 126 OK 21 100 - 21 - ~11613=12, 10399/3.7=8, ~11614=2 QG1 VAL 63 + HB VAL 126 OK 19 92 - 20 - 4.0/4014=7, 4.3/9410=6...(4) QD2 LEU 49 + HB VAL 126 OK 15 65 - 23 - ~11615=12, 10399/3.7=4...(4) QD1 LEU 103 - HB VAL 126 lone 3 87 - 4 - QD1 ILE 37 - HB VAL 126 lone 2 65 - 3 - ~11615=1 Peak 10409 from cnoeabs.peaks (1.34, 0.96, 22.68 ppm; 3.08 A): 0 out of 2 assignments used, low quality = 0.34: QB ALA 46 - QG1 VAL 126 OK 34 99 - 34 - 9175/2.1=21, 2.1/9173=11 QB ALA 21 - QG1 VAL 126 lone 3 99 - 3 - 11616/2.1=2 Peak 10410 from cnoeabs.peaks (0.66, 0.96, 22.68 ppm; 4.29 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10435 from cnoeabs.peaks (0.91, 2.35, 33.92 ppm; 3.70 A): 3 out of 7 assignments used, quality = 0.79: QD1 LEU 62 + HG2 GLN 127 OK 56 100 - 56 - 10437/1.8=12...(14) QG2 VAL 63 + HG2 GLN 127 OK 33 96 - 35 - 3.7/4059=7, 11010/3.0=6...(7) QD1 LEU 49 + HG2 GLN 127 OK 29 99 - 30 - 10434/3.5=9, 10431/3.5=9...(5) QD2 LEU 48 - HG2 GLN 127 lone 9 87 - 10 - 10431/3.5=2, 11610/3.0=2...(5) QD1 LEU 48 - HG2 GLN 127 lone 4 65 - 6 - 10437/1.8=2, ~11610=1...(4) QG1 VAL 20 - HG2 GLN 127 lone 2 81 - 3 - QG2 VAL 112 - HG2 GLN 127 lone 1 65 - 2 - Peak 10436 from cnoeabs.peaks (0.92, 2.06, 27.80 ppm; 4.07 A): 3 out of 7 assignments used, quality = 0.86: QD1 LEU 62 + HB2 GLN 127 OK 68 98 - 70 - 10435/3.0=13, 2007=12...(17) QG2 VAL 63 + HB2 GLN 127 OK 36 87 - 41 - 3.7/4040=10, 10435/3.0=8...(8) QD1 LEU 49 + HB2 GLN 127 OK 30 96 - 32 - 10434/4.5=8, 10431/4.5=7...(5) QD2 LEU 48 - HB2 GLN 127 poor 8 73 - 10 - 10435/3.0=2, 11610/1.8=2...(5) QD1 LEU 48 - HB2 GLN 127 lone 7 81 - 8 - 10437/3.0=2, ~11610=2...(4) QG2 VAL 112 - HB2 GLN 127 lone 4 81 - 5 - 4.4/3574=1, 4.4/3582=1 QG1 VAL 20 - HB2 GLN 127 lone 2 65 - 3 - Peak 10437 from cnoeabs.peaks (0.92, 2.49, 33.92 ppm; 3.66 A): 4 out of 6 assignments used, quality = 0.74: QD1 LEU 62 + HG3 GLN 127 OK 45 87 - 52 - 10435/1.8=12...(14) QD1 LEU 123 + HG3 GLN 127 OK 25 73 - 35 - 11578=18, 11579/1.8=7...(6) QD1 LEU 49 + HG3 GLN 127 OK 21 81 - 26 - 10434/3.5=9, 10431/3.5=6...(5) QG2 VAL 63 + HG3 GLN 127 OK 20 65 - 30 - 10435/1.8=7, 3.7/4068=7...(7) QD1 LEU 48 - HG3 GLN 127 lone 7 96 - 7 - ~10435=1, ~11610=1...(4) QG2 VAL 112 - HG3 GLN 127 lone 2 96 - 2 - Peak 10442 from cnoeabs.peaks (1.13, 4.20, 59.03 ppm; 5.02 A): 2 out of 3 assignments used, quality = 0.66: QG1 VAL 132 + HA GLU 128 OK 54 92 - 58 - 11627/3.9=22...(6) HG2 LYS 39 + HA GLU 128 OK 27 65 - 41 - 11627/3.9=16, 2.9/4079=6...(11) QG2 THR 115 - HA GLU 128 lone 2 65 - 3 - Peak 10443 from cnoeabs.peaks (0.83, 4.20, 59.03 ppm; 3.85 A): 0 out of 3 assignments used, low quality = 0.42: QG2 ILE 129 - HA GLU 128 OK 24 92 - 26 - 4136/3.6=15, 10441/2.9=7 HG13 ILE 80 - HA GLU 128 OK 14 98 - 15 - 7870/3.6=6, 4120/5.0=4 QD1 LEU 70 - HA GLU 128 OK 11 73 - 15 - 9489/3.9=3, 7870/3.6=3...(6) Peak 10444 from cnoeabs.peaks (1.43, 2.08, 28.41 ppm; 4.40 A): 4 out of 4 assignments used, quality = 0.76: QB ALA 92 + HB2 GLU 128 OK 61 100 - 61 - 10446/3.0=24...(8) HG2 LYS 26 + HB2 GLU 128 OK 20 98 - 20 - 10446/3.0=7, 10447/3.0=5...(4) HG13 ILE 32 + HB2 GLU 128 OK 14 65 - 22 - ~10844=9, 10447/3.0=7, ~11626=7 HG2 LYS 86 + HB2 GLU 128 OK 12 65 - 18 - 10439/3.6=6, 10446/3.0=5...(5) Peak 10445 from cnoeabs.peaks (1.42, 2.22, 28.41 ppm; 4.51 A): 0 out of 2 assignments used, low quality = 0.11: HG2 LYS 86 - HB3 GLU 128 OK 11 92 - 12 - 10376/4095=5...(3) QB ALA 34 - HB3 GLU 128 lone 7 98 - 7 - 10376/4095=2, 10439/3.6=2 Peak 10446 from cnoeabs.peaks (1.43, 2.37, 34.22 ppm; 3.61 A): 0 out of 4 assignments used, low quality = 0.43: QB ALA 92 - HG2 GLU 128 OK 36 99 - 37 - 10444/3.0=12...(8) HG2 LYS 26 - HG2 GLU 128 OK 11 92 - 12 - 10444/3.0=4, 10447/1.8=4 HG2 LYS 86 - HG2 GLU 128 lone 8 81 - 9 - 10439/4.6=3, 10444/3.0=2 QB ALA 34 - HG2 GLU 128 lone 2 65 - 3 - 10439/4.6=1, 10445/3.0=1 Peak 10447 from cnoeabs.peaks (1.44, 2.42, 34.22 ppm; 3.58 A): 0 out of 5 assignments used, low quality = 0.37: QB ALA 92 - HG3 GLU 128 OK 28 87 - 32 - 10446/1.8=12...(8) HG13 ILE 32 - HG3 GLU 128 OK 13 98 - 13 - ~10844=6, ~11626=3, 10444/3.0=2 HG2 LYS 26 - HG3 GLU 128 lone 9 98 - 9 - 10446/1.8=4, 10444/3.0=3 HG2 LYS 31 - HG3 GLU 128 lone 1 87 - 1 - HG3 LYS 19 - HG3 GLU 128 lone 0 73 - 0 - Peak 10448 from cnoeabs.peaks (2.81, 2.22, 28.41 ppm; 5.88 A): 0 out of 3 assignments used, low quality = 0.16: HB2 ASN 13 - HB3 GLU 128 OK 16 99 - 16 - ~10450=8, ~4085=7 HB3 ASP 71 - HB3 GLU 128 lone 5 99 - 5 - 1.8/11119=2, 2129/2120=1 HB3 ASN 85 - HB3 GLU 128 lone 4 57 - 6 - ~9798=3, ~9805=2 Peak 10449 from cnoeabs.peaks (2.87, 2.42, 34.22 ppm; 5.62 A): 1 out of 2 assignments used, quality = 0.69: HB3 ASP 131 + HG3 GLU 128 OK 69 100 - 69 - 4086/3.9=40...(5) HB3 ASN 59 - HG3 GLU 128 lone 3 73 - 4 - Peak 10450 from cnoeabs.peaks (2.77, 2.42, 34.22 ppm; 5.32 A): 2 out of 3 assignments used, quality = 0.67: HB2 ASP 131 + HG3 GLU 128 OK 57 92 - 62 - 1.8/10449=36...(4) HB3 ASN 13 + HG3 GLU 128 OK 23 96 - 23 - ~10448=15, 4085/3.9=6...(4) HB2 TYR 76 - HG3 GLU 128 lone 6 73 - 8 - 4.9/11628=5, 9490/9489=2 Peak 10452 from cnoeabs.peaks (3.47, 2.37, 34.22 ppm; 5.63 A): 1 out of 2 assignments used, quality = 0.74: HA ILE 129 + HG2 GLU 128 OK 74 92 - 81 - 2.9/4109=27, 5.0/4104=26...(10) HA LEU 42 - HG2 GLU 128 lone 1 65 - 2 - Peak 10453 from cnoeabs.peaks (8.27, 0.64, 14.39 ppm; 4.08 A): 2 out of 4 assignments used, quality = 0.81: H LEU 96 + QD1 ILE 129 OK 63 98 - 65 - 9982=33, 3.8/10492=12...(12) H ASP 131 + QD1 ILE 129 OK 49 100 - 49 - 7896/4.9=16, 4.5/7887=13...(8) H GLU 40 - QD1 ILE 129 lone 5 65 - 7 - 7875/4.9=1 H GLU 30 - QD1 ILE 129 lone 1 65 - 1 - Peak 10454 from cnoeabs.peaks (8.46, 0.64, 14.39 ppm; 4.50 A): 2 out of 2 assignments used, quality = 0.63: H LEU 70 + QD1 ILE 129 OK 45 87 - 52 - 2.9/11116=20, ~11632=7...(13) H ASP 47 + QD1 ILE 129 OK 33 99 - 33 - 3.7/11636=25...(5) Peak 10455 from cnoeabs.peaks (7.84, 0.64, 14.39 ppm; 5.36 A): 0 out of 1 assignment used, low quality = 0.00: H GLU 102 - QD1 ILE 129 lone 5 57 - 8 - 11356/9994=4, ~7477=3 Peak 10456 from cnoeabs.peaks (7.40, 0.64, 14.39 ppm; 5.23 A): 1 out of 1 assignment used, quality = 0.69: QE PHE 89 + QD1 ILE 129 OK 69 100 - 69 - 10457/3.0=43, ~11634=28...(6) Peak 10457 from cnoeabs.peaks (7.40, 0.82, 16.92 ppm; 3.74 A): 1 out of 1 assignment used, quality = 0.54: QE PHE 89 + QG2 ILE 129 OK 54 99 - 54 - 2.2/11634=28...(6) Peak 10458 from cnoeabs.peaks (7.41, 3.46, 66.06 ppm; 5.22 A): 0 out of 1 assignment used, low quality = 0.41: QE PHE 89 - HA ILE 129 OK 41 57 - 71 - 2.2/10459=42, ~11634=27...(5) Peak 10459 from cnoeabs.peaks (7.07, 3.46, 66.06 ppm; 4.77 A): 1 out of 1 assignment used, quality = 0.71: QD PHE 89 + HA ILE 129 OK 71 99 - 71 - 2.2/10458=33, ~10457=25...(9) Peak 10461 from cnoeabs.peaks (3.25, 0.64, 14.39 ppm; 3.86 A): 1 out of 2 assignments used, quality = 0.76: HA VAL 93 + QD1 ILE 129 OK 76 98 - 77 - 3.2/10487=31, 9966=22...(16) HB3 HIS 10 - QD1 ILE 129 lone 6 100 - 6 - 2919/10487=2, 7311/9982=1 Peak 10462 from cnoeabs.peaks (2.92, 0.64, 14.39 ppm; 5.81 A): 2 out of 3 assignments used, quality = 0.50: HE3 LYS 39 + QD1 ILE 129 OK 33 98 - 33 - 4.0/10490=14...(8) HE2 LYS 39 + QD1 ILE 129 OK 25 81 - 31 - 4.0/10490=14...(7) HB3 ASN 116 - QD1 ILE 129 lone 2 65 - 3 - Peak 10463 from cnoeabs.peaks (2.75, 0.64, 14.39 ppm; 4.83 A): 2 out of 5 assignments used, quality = 0.48: HB2 CYS 125 + QD1 ILE 129 OK 33 65 - 50 - 3.0/10379=23...(7) HB2 CYS 73 + QD1 ILE 129 OK 22 98 - 23 - 9959/10487=8...(5) HB3 ASP 78 - QD1 ILE 129 poor 9 81 - 11 - 4.3/4167=4, 9959/10487=3...(4) HB3 ASP 35 - QD1 ILE 129 lone 7 92 - 7 - 4.7/4160=3, 9959/10487=1 HB2 ASP 64 - QD1 ILE 129 lone 3 87 - 3 - Peak 10468 from cnoeabs.peaks (4.07, 0.64, 14.39 ppm; 4.43 A): 0 out of 3 assignments used, low quality = 0.00: HB2 SER 74 - QD1 ILE 129 lone 1 100 - 1 - HB3 SER 74 - QD1 ILE 129 lone 1 100 - 1 - HB THR 65 - QD1 ILE 129 lone 1 98 - 1 - Peak 10477 from cnoeabs.peaks (1.16, 3.46, 66.06 ppm; 3.80 A): 0 out of 2 assignments used, low quality = 0.00: HG12 ILE 32 - HA ILE 129 lone 7 99 - 7 - 9880/10459=3, 10844/10452=2 HG3 LYS 39 - HA ILE 129 lone 7 96 - 7 - 9880/10459=3, ~7864=1 Peak 10478 from cnoeabs.peaks (1.43, 3.46, 66.06 ppm; 4.25 A): 3 out of 4 assignments used, quality = 0.90: QB ALA 92 + HA ILE 129 OK 81 98 - 82 - 9952=48, 9946/3.2=19...(12) HG2 LYS 86 + HA ILE 129 OK 30 87 - 35 - 10481/3.2=10...(8) HG2 LYS 26 + HA ILE 129 OK 28 87 - 32 - 10476/2.9=6, 10491/4.2=6...(11) QB ALA 34 - HA ILE 129 lone 5 73 - 7 - 10481/3.2=2, 10476/2.9=2 Peak 10479 from cnoeabs.peaks (1.06, 3.46, 66.06 ppm; 4.37 A): 0 out of 1 assignment used, low quality = 0.18: QG1 VAL 77 - HA ILE 129 OK 18 96 - 19 - ~9662=6, 9675/3.6=4...(6) Peak 10481 from cnoeabs.peaks (1.42, 0.82, 16.92 ppm; 3.76 A): 3 out of 4 assignments used, quality = 0.82: QB ALA 92 + QG2 ILE 129 OK 63 92 - 69 - 9952/3.2=20, 9946=20...(12) HG2 LYS 86 + QG2 ILE 129 OK 39 96 - 40 - 4.5/9753=10, 3.0/11282=5...(11) HG2 LYS 26 + QG2 ILE 129 OK 20 73 - 27 - 10491/3.0=6, 10478/3.2=5...(9) QB ALA 34 - QG2 ILE 129 lone 7 87 - 8 - 10491/3.0=1, 10476/4.0=1 Peak 10482 from cnoeabs.peaks (1.02, 0.82, 16.92 ppm; 3.21 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10483 from cnoeabs.peaks (1.43, 0.75, 30.23 ppm; 4.79 A): 3 out of 3 assignments used, quality = 0.93: QB ALA 92 + HG12 ILE 129 OK 86 100 - 86 - 9952/3.7=33...(11) HG2 LYS 26 + HG12 ILE 129 OK 38 96 - 39 - 10491/2.1=10...(10) HG2 LYS 86 + HG12 ILE 129 OK 25 73 - 34 - 10481/3.2=11...(6) Peak 10485 from cnoeabs.peaks (0.27, 3.46, 66.06 ppm; 4.57 A): 1 out of 1 assignment used, quality = 0.69: QD1 ILE 80 + HA ILE 129 OK 69 92 - 75 - 2.1/4120=13, 2476/3.2=11...(22) Peak 10486 from cnoeabs.peaks (0.56, 0.82, 16.92 ppm; 3.32 A): 1 out of 1 assignment used, quality = 0.52: QD2 LEU 42 + QG2 ILE 129 OK 52 96 - 54 - 2.1/9083=25, 1336/3.0=8...(12) Peak 10487 from cnoeabs.peaks (0.29, 0.64, 14.39 ppm; 3.44 A): 1 out of 1 assignment used, quality = 0.65: QG2 VAL 93 + QD1 ILE 129 OK 65 92 - 71 - 9967=21, 3.2/10461=20...(19) Peak 10488 from cnoeabs.peaks (0.28, 1.74, 30.23 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.91: QG2 VAL 93 + HG13 ILE 129 OK 91 96 - 95 - ~10461=40, ~9966=38...(14) Peak 10489 from cnoeabs.peaks (0.96, 0.64, 14.39 ppm; 3.46 A): 3 out of 5 assignments used, quality = 0.76: QG2 VAL 126 + QD1 ILE 129 OK 52 100 - 52 - 2.1/11638=13...(10) QG1 VAL 126 + QD1 ILE 129 OK 36 73 - 49 - 2.1/11638=13...(10) QD2 LEU 53 + QD1 ILE 129 OK 21 99 - 21 - 3.1/11637=6...(7) QG1 VAL 112 - QD1 ILE 129 lone 4 98 - 4 - QG1 VAL 105 - QD1 ILE 129 lone 3 92 - 3 - 10475/4.9=1 Peak 10490 from cnoeabs.peaks (1.14, 0.64, 14.39 ppm; 4.90 A): 0 out of 5 assignments used, low quality = 0.40: HG2 LYS 39 - QD1 ILE 129 OK 24 100 - 24 - 4.0/10462=12...(5) QG1 VAL 132 - QD1 ILE 129 OK 21 92 - 22 - 11927/4.2=14...(4) QG2 VAL 132 - QD1 ILE 129 lone 10 98 - 10 - 9947/10491=4, 10511/10453=2 QG2 THR 115 - QD1 ILE 129 lone 6 100 - 6 - 10194/10489=1, 10185/11638=1 HB3 LEU 62 - QD1 ILE 129 lone 3 65 - 4 - 9947/10491=2 Peak 10491 from cnoeabs.peaks (1.43, 0.64, 14.39 ppm; 3.29 A): 3 out of 4 assignments used, quality = 0.68: QB ALA 92 + QD1 ILE 129 OK 53 99 - 54 - 11317/2.1=16...(9) HG2 LYS 26 + QD1 ILE 129 OK 19 92 - 20 - 10483/2.1=4, 10481/3.0=3...(7) HG2 LYS 86 + QD1 ILE 129 OK 15 81 - 18 - 10481/3.0=6, 10478/4.2=3...(8) QB ALA 34 - QD1 ILE 129 lone 4 65 - 5 - 9970/10487=2, 10481/3.0=1 Peak 10492 from cnoeabs.peaks (2.24, 0.64, 14.39 ppm; 4.14 A): 2 out of 2 assignments used, quality = 0.60: HB2 PRO 81 + QD1 ILE 129 OK 37 57 - 65 - 9714/3.0=21, ~11894=12...(18) HB3 LEU 96 + QD1 ILE 129 OK 36 65 - 55 - 3.8/9982=21...(16) Peak 10494 from cnoeabs.peaks (7.13, 3.77, 62.61 ppm; 5.66 A): 0 out of 1 assignment used, low quality = 0.20: HE22 GLN 134 - HB3 SER 130 OK 20 73 - 27 - 1.7/10495=22, 6.9/7943=3 Peak 10495 from cnoeabs.peaks (6.89, 3.77, 62.61 ppm; 6.80 A): 2 out of 3 assignments used, quality = 0.66: HE21 GLN 134 + HB3 SER 130 OK 60 98 - 61 - 1.7/10494=50...(3) HD21 ASN 121 + HB3 SER 130 OK 14 73 - 19 - 10336/1.8=8, ~3847=4...(5) HE21 GLN 61 - HB3 SER 130 lone 4 92 - 4 - Peak 10496 from cnoeabs.peaks (8.47, 3.77, 62.61 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.94: H VAL 132 + HB3 SER 130 OK 91 100 - 91 - ~7900=37, ~4180=36...(13) H LEU 70 + HB3 SER 130 OK 34 73 - 46 - 4.3/11101=19...(7) Peak 10503 from cnoeabs.peaks (2.02, 3.82, 62.61 ppm; 5.20 A): 1 out of 9 assignments used, quality = 0.57: HG2 PRO 58 + HB2 SER 130 OK 57 100 - 57 - 2.3/1822=12, 2.3/1846=11...(8) HB3 GLU 30 - HB2 SER 130 lone 6 87 - 7 - 767/4.6=3 HB2 GLU 44 - HB2 SER 130 lone 6 99 - 6 - 1819/1822=1 HG2 ARG 90 - HB2 SER 130 lone 6 98 - 6 - 2817/1846=1 HB2 GLN 134 - HB2 SER 130 lone 5 92 - 5 - ~10604=2 HB3 MET 11 - HB2 SER 130 lone 3 98 - 3 - HB VAL 63 - HB2 SER 130 lone 2 96 - 2 - HB3 GLU 91 - HB2 SER 130 lone 2 81 - 2 - HG3 ARG 135 - HB2 SER 130 lone 1 81 - 2 - Peak 10507 from cnoeabs.peaks (2.05, 3.77, 62.61 ppm; 6.47 A): 3 out of 8 assignments used, quality = 0.84: HB2 GLN 127 + HB3 SER 130 OK 73 99 - 74 - ~4175=31, ~4037=31...(7) HB VAL 118 + HB3 SER 130 OK 23 99 - 23 - 3737/1.8=4, ~3743=3...(8) HB2 LEU 62 + HB3 SER 130 OK 20 99 - 20 - 9127/10509=9...(4) HG3 PRO 81 - HB3 SER 130 lone 8 98 - 8 - 9127/10509=2, 10525/10496=1 HG2 PRO 117 - HB3 SER 130 lone 7 100 - 7 - 10525/10496=1, 4029/4181=1 HG3 PRO 117 - HB3 SER 130 lone 7 96 - 8 - 10525/10496=2 HG3 PRO 113 - HB3 SER 130 lone 7 87 - 7 - 10142/11643=1 HB3 GLN 27 - HB3 SER 130 lone 6 87 - 7 - 4029/4181=2 Peak 10508 from cnoeabs.peaks (1.33, 3.77, 62.61 ppm; 5.08 A): 0 out of 2 assignments used, low quality = 0.40: QB ALA 46 - HB3 SER 130 OK 40 73 - 55 - 11641/1.8=23...(10) QB ALA 21 - HB3 SER 130 lone 2 73 - 3 - 11641/1.8=1 Peak 10509 from cnoeabs.peaks (0.76, 3.77, 62.61 ppm; 3.99 A): 1 out of 1 assignment used, quality = 0.62: QD2 LEU 43 + HB3 SER 130 OK 62 92 - 67 - 11642/1.8=22...(16) Peak 10514 from cnoeabs.peaks (2.07, 2.77, 40.87 ppm; 6.51 A): 0 out of 5 assignments used, low quality = 0.13: HB3 LYS 39 - HB2 ASP 131 OK 13 65 - 20 - 2.9/11138=7, ~10518=6...(5) HB3 GLU 44 - HB2 ASP 131 lone 7 73 - 9 - ~4193=4, ~4194=3 HG3 PRO 58 - HB2 ASP 131 lone 5 99 - 5 - ~4193=3 HG3 PRO 113 - HB2 ASP 131 lone 4 65 - 6 - 10517/1.8=3 HB3 GLN 27 - HB2 ASP 131 lone 3 65 - 5 - 10517/1.8=2 Peak 10515 from cnoeabs.peaks (2.39, 2.87, 40.87 ppm; 5.42 A): 0 out of 2 assignments used, low quality = 0.00: HG3 GLU 40 - HB3 ASP 131 lone 7 100 - 7 - 1268/3.8=3, 4.8/4202=2 HG3 GLU 55 - HB3 ASP 131 lone 2 98 - 2 - Peak 10516 from cnoeabs.peaks (2.26, 2.87, 40.87 ppm; 4.94 A): 0 out of 2 assignments used, low quality = 0.21: HB2 PRO 81 - HB3 ASP 131 OK 12 98 - 12 - 2.3/10517=11 HB VAL 105 - HB3 ASP 131 OK 11 81 - 14 - 3.0/4201=7, ~4195=5, 3467/4086=2 Peak 10517 from cnoeabs.peaks (2.06, 2.87, 40.87 ppm; 5.79 A): 0 out of 7 assignments used, low quality = 0.15: HG3 PRO 81 - HB3 ASP 131 OK 15 57 - 26 - 2.3/10516=23, 10525/4.7=2 HB2 LEU 62 - HB3 ASP 131 lone 7 92 - 8 - ~10999=4, 10525/4.7=2 HG3 PRO 113 - HB3 ASP 131 lone 4 100 - 4 - 10514/1.8=2 HB3 GLN 27 - HB3 ASP 131 lone 3 100 - 3 - 10514/1.8=2 HB2 GLN 127 - HB3 ASP 131 lone 3 92 - 3 - 10525/4.7=1 HG2 PRO 117 - HB3 ASP 131 lone 3 73 - 4 - 10525/4.7=2 HB VAL 118 - HB3 ASP 131 lone 2 92 - 3 - Peak 10518 from cnoeabs.peaks (1.12, 2.87, 40.87 ppm; 4.32 A): 2 out of 3 assignments used, quality = 0.66: QG1 VAL 132 + HB3 ASP 131 OK 61 87 - 71 - 4.0/7915=28...(9) HG2 LYS 39 + HB3 ASP 131 OK 10 57 - 18 - ~10514=5, 11138/1.8=4...(5) QG2 THR 115 - HB3 ASP 131 lone 1 57 - 2 - Peak 10519 from cnoeabs.peaks (3.51, 2.87, 40.87 ppm; 6.49 A): 1 out of 1 assignment used, quality = 0.77: HA VAL 132 + HB3 ASP 131 OK 77 81 - 96 - 3.0/7915=49...(7) Peak 10520 from cnoeabs.peaks (3.79, 2.87, 40.87 ppm; 5.74 A): 0 out of 3 assignments used, low quality = 0.00: HA ARG 90 - HB3 ASP 131 lone 2 99 - 2 - HB2 SER 9 - HB3 ASP 131 lone 1 73 - 2 - HB3 SER 9 - HB3 ASP 131 lone 1 65 - 2 - Peak 10526 from cnoeabs.peaks (2.03, 3.52, 66.53 ppm; 4.29 A): 2 out of 7 assignments used, quality = 0.93: HG3 ARG 135 + HA VAL 132 OK 90 100 - 90 - 11687=36, 3.0/10635=30...(11) HB3 GLU 40 + HA VAL 132 OK 36 99 - 36 - ~11657=11, 1.8/11797=6...(10) HB3 GLU 91 - HA VAL 132 lone 7 100 - 7 - 4357/10635=1 HB3 GLU 55 - HA VAL 132 lone 6 73 - 8 - ~11657=4, 10534/3.2=2 HG2 PRO 58 - HA VAL 132 lone 2 81 - 3 - HB2 GLU 44 - HA VAL 132 lone 2 57 - 3 - QE MET 11 - HA VAL 132 lone 1 81 - 2 - Peak 10527 from cnoeabs.peaks (1.71, 3.52, 66.53 ppm; 4.45 A): 4 out of 6 assignments used, quality = 0.99: HG2 ARG 135 + HA VAL 132 OK 93 100 - 93 - 10019=36, 1.8/11687=35...(13) HD3 LYS 39 + HA VAL 132 OK 63 99 - 64 - ~11661=18, 1208/3.2=9...(20) HB2 LEU 70 + HA VAL 132 OK 52 100 - 52 - 3.2/4207=10, 2235/3.0=6...(19) HB3 LEU 70 + HA VAL 132 OK 51 98 - 52 - 3.2/4207=10, 2244/3.0=5...(19) HG LEU 48 - HA VAL 132 OK 10 99 - 10 - 4340/11687=2...(5) HG LEU 98 - HA VAL 132 lone 10 99 - 10 - ~11659=2, 7983/10624=1, ~10533=1 Peak 10528 from cnoeabs.peaks (2.77, 3.52, 66.53 ppm; 5.97 A): 1 out of 2 assignments used, quality = 0.94: HB2 ASP 131 + HA VAL 132 OK 94 99 - 95 - 7914/3.0=44, ~7915=41...(8) HB3 ASN 13 - HA VAL 132 OK 12 100 - 12 - 7914/3.0=5, 4189/4.9=4 Peak 10529 from cnoeabs.peaks (2.93, 3.52, 66.53 ppm; 4.24 A): 3 out of 5 assignments used, quality = 0.92: HD2 ARG 135 + HA VAL 132 OK 78 87 - 90 - 1.8/10635=37...(13) HE2 LYS 39 + HA VAL 132 OK 44 100 - 44 - ~11661=12, 2.9/10527=7...(14) HE3 LYS 39 + HA VAL 132 OK 35 92 - 38 - ~11661=12, 2.9/10527=7...(9) HB3 ASN 116 - HA VAL 132 lone 5 100 - 5 - HG CYS 73 - HA VAL 132 lone 4 96 - 4 - Peak 10530 from cnoeabs.peaks (3.24, 3.52, 66.53 ppm; 4.68 A): 0 out of 1 assignment used, low quality = 0.00: HA VAL 93 - HA VAL 132 lone 4 81 - 5 - 3.0/11796=4 Peak 10531 from cnoeabs.peaks (0.81, 1.13, 22.77 ppm; 3.39 A): 2 out of 4 assignments used, quality = 0.54: QG2 ILE 80 + QG1 VAL 132 OK 48 92 - 53 - 3.1/11656=24...(12) QD1 LEU 122 + QG1 VAL 132 OK 12 99 - 12 - 3.1/11659=4, 10532/2.1=3 QD1 LEU 70 - QG1 VAL 132 poor 9 57 - 16 - 4.3/4220=4, 10532/2.1=3...(6) QD2 LEU 119 - QG1 VAL 132 lone 4 73 - 5 - 9793/11660=3 Peak 10532 from cnoeabs.peaks (0.81, 2.28, 31.51 ppm; 4.66 A): 3 out of 4 assignments used, quality = 0.68: QG2 ILE 80 + HB VAL 132 OK 56 92 - 62 - 10531/2.1=32, ~11656=25...(7) QD1 LEU 122 + HB VAL 132 OK 14 99 - 14 - 10531/2.1=8, ~11659=5 QD1 LEU 70 + HB VAL 132 OK 14 57 - 24 - 4.3/4214=7, 10531/2.1=6...(6) QD2 LEU 119 - HB VAL 132 lone 3 73 - 4 - 10531/2.1=2 Peak 10533 from cnoeabs.peaks (1.66, 1.13, 22.77 ppm; 3.06 A): 0 out of 15 assignments used, low quality = 0.42: QB ALA 88 - QG1 VAL 132 OK 42 100 - 42 - 9861=21, 9861/2.1=12...(6) HD2 LYS 86 - QG1 VAL 132 lone 5 99 - 5 - 3.5/11659=3 HD3 LYS 86 - QG1 VAL 132 lone 5 99 - 5 - 3.5/11659=3 HB2 LEU 98 - QG1 VAL 132 lone 4 65 - 7 - 3.0/10539=3, 1.8/11659=2 HD2 LYS 26 - QG1 VAL 132 lone 4 100 - 4 - 2.9/11658=3 HD2 LYS 31 - QG1 VAL 132 lone 4 100 - 4 - 2.9/11658=2 HD3 LYS 31 - QG1 VAL 132 lone 4 100 - 4 - 2.9/11658=2 HD3 LYS 26 - QG1 VAL 132 lone 4 98 - 4 - 2.9/11658=3 HB2 LEU 69 - QG1 VAL 132 lone 3 73 - 4 - 4.4/4220=3 HD3 LYS 95 - QG1 VAL 132 lone 1 99 - 1 - HD2 LYS 24 - QG1 VAL 132 lone 1 100 - 1 - HD3 LYS 24 - QG1 VAL 132 lone 1 100 - 1 - HD2 LYS 95 - QG1 VAL 132 lone 1 81 - 1 - HD2 LYS 36 - QG1 VAL 132 lone 0 65 - 1 - HD3 LYS 36 - QG1 VAL 132 lone 0 65 - 1 - Peak 10534 from cnoeabs.peaks (2.04, 1.13, 22.77 ppm; 4.33 A): 3 out of 6 assignments used, quality = 0.69: HG3 ARG 135 + QG1 VAL 132 OK 51 65 - 78 - ~10019=19, ~10636=14...(14) HB3 GLU 40 + QG1 VAL 132 OK 28 87 - 33 - ~11657=16, 4.0/11651=7...(5) HB3 GLU 55 + QG1 VAL 132 OK 11 100 - 11 - ~11657=6, 10525/4.0=2 HG3 PRO 117 - QG1 VAL 132 poor 9 65 - 14 - 1.8/11529=4, 10525/4.0=3...(5) HB3 GLU 91 - QG1 VAL 132 lone 3 65 - 5 - 4.6/9933=2 QE MET 11 - QG1 VAL 132 lone 2 100 - 2 - Peak 10535 from cnoeabs.peaks (2.71, 1.13, 22.77 ppm; 4.45 A): 0 out of 1 assignment used, low quality = 0.00: HB2 ASP 47 - QG1 VAL 132 lone 7 81 - 9 - 9723/11656=8 Peak 10536 from cnoeabs.peaks (2.89, 1.13, 22.77 ppm; 4.74 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10537 from cnoeabs.peaks (3.30, 1.13, 22.77 ppm; 3.65 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10538 from cnoeabs.peaks (3.78, 1.13, 22.77 ppm; 5.21 A): 2 out of 3 assignments used, quality = 0.58: HA SER 130 + QG1 VAL 132 OK 41 98 - 42 - 3.6/11651=17...(4) HB3 SER 130 + QG1 VAL 132 OK 28 92 - 31 - 4.6/11651=14...(4) HA LEU 43 - QG1 VAL 132 lone 6 99 - 6 - 9726/11656=2 Peak 10539 from cnoeabs.peaks (4.10, 1.13, 22.77 ppm; 3.69 A): 0 out of 5 assignments used, low quality = 0.10: HA GLN 104 - QG1 VAL 132 OK 10 73 - 14 - 5.5/11654=6, 5.5/11653=5 HA CYS 79 - QG1 VAL 132 lone 6 65 - 10 - 3.6/11654=9 HA LEU 98 - QG1 VAL 132 lone 4 65 - 7 - 3.0/11659=3, 3.0/10533=2 HA GLN 101 - QG1 VAL 132 lone 4 87 - 5 - 11293/10533=3 HA LEU 49 - QG1 VAL 132 lone 1 57 - 1 - Peak 10540 from cnoeabs.peaks (4.23, 1.13, 22.77 ppm; 6.80 A): 3 out of 6 assignments used, quality = 0.52: HB3 SER 38 + QG1 VAL 132 OK 31 87 - 36 - ~10923=15, 4.6/6439=10...(7) HA GLU 30 + QG1 VAL 132 OK 21 98 - 21 - ~764=5, 757/2.1=5...(5) HA ALA 29 + QG1 VAL 132 OK 11 100 - 11 - 10785/10534=5, 10814/11658=1 HA SER 94 - QG1 VAL 132 lone 5 96 - 5 - 7313/11651=1 HA ALA 34 - QG1 VAL 132 lone 4 96 - 4 - HA ALA 28 - QG1 VAL 132 lone 2 65 - 3 - Peak 10541 from cnoeabs.peaks (4.79, 1.13, 22.77 ppm; 3.89 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10542 from cnoeabs.peaks (7.29, 3.52, 66.53 ppm; 4.96 A): 0 out of 1 assignment used, low quality = 0.00: HZ PHE 89 - HA VAL 132 lone 4 65 - 6 - 10548/3.6=4, 11865/11868=1 Peak 10543 from cnoeabs.peaks (7.05, 3.52, 66.53 ppm; 4.54 A): 1 out of 1 assignment used, quality = 0.92: HE ARG 135 + HA VAL 132 OK 92 99 - 92 - 11868=48, 2.9/10635=34...(13) Peak 10544 from cnoeabs.peaks (7.84, 1.13, 22.77 ppm; 4.64 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10545 from cnoeabs.peaks (7.28, 1.13, 22.77 ppm; 4.21 A): 0 out of 2 assignments used, low quality = 0.21: H ASN 85 - QG1 VAL 132 OK 21 57 - 36 - 3.6/11660=24, 3.6/9790=9 QE PHE 87 - QG1 VAL 132 lone 4 73 - 5 - 9846/4.2=3 Peak 10546 from cnoeabs.peaks (7.07, 1.13, 22.77 ppm; 3.38 A): 0 out of 1 assignment used, low quality = 0.44: QD PHE 89 - QG1 VAL 132 OK 44 99 - 44 - 11650/2.1=12, ~9873=7...(12) Peak 10547 from cnoeabs.peaks (6.60, 1.13, 22.77 ppm; 4.87 A): 0 out of 1 assignment used, low quality = 0.00: HD21 ASN 59 - QG1 VAL 132 lone 6 92 - 7 - 11713/11721=5, 11482/11483=1 Peak 10551 from cnoeabs.peaks (8.68, 1.14, 23.15 ppm; 4.26 A): 2 out of 2 assignments used, quality = 0.84: H PHE 89 + QG2 VAL 132 OK 65 96 - 68 - 9867=23, 2.9/9873=20...(11) H LYS 39 + QG2 VAL 132 OK 53 96 - 56 - 3.6/10923=10, 6439=9...(15) Peak 10552 from cnoeabs.peaks (7.40, 1.04, 23.73 ppm; 3.71 A): 1 out of 1 assignment used, quality = 0.55: QE PHE 89 + QG2 VAL 133 OK 55 99 - 55 - 2.2/10554=28...(7) Peak 10553 from cnoeabs.peaks (7.30, 1.04, 23.73 ppm; 4.17 A): 2 out of 2 assignments used, quality = 0.86: HZ PHE 89 + QG2 VAL 133 OK 69 100 - 69 - 2.2/10552=40...(8) H ARG 135 + QG2 VAL 133 OK 54 81 - 67 - 4.7/7946=21...(13) Peak 10554 from cnoeabs.peaks (7.08, 1.04, 23.73 ppm; 4.17 A): 0 out of 1 assignment used, low quality = 0.39: QD PHE 89 - QG2 VAL 133 OK 39 57 - 67 - 2.2/10552=40, ~11666=18...(7) Peak 10555 from cnoeabs.peaks (6.46, 1.04, 23.73 ppm; 3.65 A): 0 out of 1 assignment used, low quality = 0.28: QE TYR 76 - QG2 VAL 133 OK 28 65 - 43 - 9632/2.1=12...(6) Peak 10556 from cnoeabs.peaks (7.32, 0.84, 22.13 ppm; 4.56 A): 2 out of 2 assignments used, quality = 0.82: H ARG 135 + QG1 VAL 133 OK 77 96 - 81 - 10632/2.1=26...(14) QD PHE 87 + QG1 VAL 133 OK 19 100 - 19 - 10560/3.2=7, 7954/4.3=4...(5) Peak 10557 from cnoeabs.peaks (7.07, 0.84, 22.13 ppm; 5.17 A): 1 out of 1 assignment used, quality = 0.79: QD PHE 89 + QG1 VAL 133 OK 79 100 - 79 - 2.2/11666=39, ~10552=37...(7) Peak 10558 from cnoeabs.peaks (6.46, 0.84, 22.13 ppm; 3.70 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10559 from cnoeabs.peaks (6.47, 3.77, 65.08 ppm; 4.94 A): 1 out of 1 assignment used, quality = 0.62: QE TYR 76 + HA VAL 133 OK 62 99 - 62 - 9632/3.2=35, 9631/3.2=32...(4) Peak 10560 from cnoeabs.peaks (7.32, 3.77, 65.08 ppm; 5.09 A): 2 out of 2 assignments used, quality = 0.79: H ARG 135 + HA VAL 133 OK 73 96 - 76 - 7954/3.6=31...(8) QD PHE 87 + HA VAL 133 OK 24 100 - 24 - ~9846=8, 10556/3.2=7...(4) Peak 10561 from cnoeabs.peaks (6.49, 2.19, 31.57 ppm; 6.71 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10562 from cnoeabs.peaks (8.04, 1.04, 23.73 ppm; 4.59 A): 5 out of 7 assignments used, quality = 0.89: H SER 130 + QG2 VAL 133 OK 63 100 - 63 - 2.9/11744=30, ~4174=16...(10) H TYR 76 + QG2 VAL 133 OK 44 81 - 54 - 3.0/11134=23...(7) H CYS 79 + QG2 VAL 133 OK 31 81 - 38 - 3.6/9695=30...(4) H ALA 16 + QG2 VAL 133 OK 11 87 - 13 - 6122/4.0=4, 9582/9577=2...(4) H CYS 125 + QG2 VAL 133 OK 10 81 - 13 - 2.9/11667=4...(3) H ALA 52 - QG2 VAL 133 lone 7 73 - 9 - 2.9/10568=3, 9105/10587=1 H LEU 48 - QG2 VAL 133 lone 3 65 - 5 - 3.6/11667=1 Peak 10563 from cnoeabs.peaks (8.27, 1.04, 23.73 ppm; 4.45 A): 3 out of 3 assignments used, quality = 0.88: H ASP 131 + QG2 VAL 133 OK 71 96 - 74 - 3.6/11744=25...(12) H LEU 96 + QG2 VAL 133 OK 40 100 - 40 - 4.6/11678=17...(9) H GLU 40 + QG2 VAL 133 OK 34 87 - 39 - 4.7/11671=21...(7) Peak 10564 from cnoeabs.peaks (8.47, 1.04, 23.73 ppm; 4.69 A): 2 out of 2 assignments used, quality = 0.90: H VAL 132 + QG2 VAL 133 OK 87 98 - 89 - 3.3/7935=42...(14) H LEU 70 + QG2 VAL 133 OK 24 57 - 42 - 7927/4.0=9, 10565/3.2=7...(11) Peak 10565 from cnoeabs.peaks (8.47, 3.77, 65.08 ppm; 6.10 A): 2 out of 2 assignments used, quality = 0.99: H VAL 132 + HA VAL 133 OK 97 100 - 97 - 10522/3.2=34, ~7935=32...(17) H LEU 70 + HA VAL 133 OK 55 87 - 63 - 7927/3.0=14, 9483/3.0=13...(15) Peak 10566 from cnoeabs.peaks (3.45, 1.04, 23.73 ppm; 4.50 A): 0 out of 1 assignment used, low quality = 0.25: HA VAL 77 - QG2 VAL 133 OK 25 99 - 25 - 9666/10552=9...(4) Peak 10567 from cnoeabs.peaks (1.17, 1.04, 23.73 ppm; 3.14 A): 3 out of 4 assignments used, quality = 0.49: HG12 ILE 32 + QG2 VAL 133 OK 24 98 - 25 - 2.1/11678=12, ~11679=6...(5) HG3 LYS 39 + QG2 VAL 133 OK 23 65 - 35 - 2.9/11671=14...(7) QB ALA 41 + QG2 VAL 133 OK 13 92 - 14 - 3.7/4256=6, 10606/4.4=6 QG2 THR 18 - QG2 VAL 133 lone 2 87 - 2 - Peak 10568 from cnoeabs.peaks (1.48, 1.04, 23.73 ppm; 4.31 A): 1 out of 3 assignments used, quality = 0.69: HG LEU 42 + QG2 VAL 133 OK 69 81 - 85 - 2.1/10587=47...(7) QB ALA 52 - QG2 VAL 133 lone 6 100 - 6 - 1335/10587=2, 2.9/10562=1 HG3 LYS 86 - QG2 VAL 133 lone 3 92 - 3 - Peak 10569 from cnoeabs.peaks (1.67, 1.04, 23.73 ppm; 4.10 A): 5 out of 7 assignments used, quality = 0.75: HD2 LYS 39 + QG2 VAL 133 OK 41 73 - 55 - 3.6/11671=22...(9) HB2 LEU 69 + QG2 VAL 133 OK 28 100 - 28 - ~11673=15, ~11668=6...(4) HD3 LYS 36 + QG2 VAL 133 OK 19 100 - 19 - 3.0/10571=5, ~10577=4...(5) HD2 LYS 36 + QG2 VAL 133 OK 19 100 - 19 - 3.0/10571=5, ~10577=4...(5) HD2 LYS 24 + QG2 VAL 133 OK 11 65 - 16 - ~10577=4, ~10572=4...(4) HD2 LYS 31 - QG2 VAL 133 poor 10 65 - 15 - 3.0/10571=3, ~11672=3...(6) QB ALA 88 - QG2 VAL 133 lone 1 65 - 1 - Peak 10570 from cnoeabs.peaks (2.64, 1.04, 23.73 ppm; 4.89 A): 0 out of 1 assignment used, low quality = 0.00: HB2 ASP 71 - QG2 VAL 133 lone 5 65 - 8 - 4.0/4251=5, 2285/4.0=1 Peak 10571 from cnoeabs.peaks (2.97, 1.04, 23.73 ppm; 5.01 A): 4 out of 11 assignments used, quality = 0.50: HE3 LYS 36 + QG2 VAL 133 OK 21 87 - 24 - ~10577=7, 3.0/10569=6...(5) HE3 LYS 24 + QG2 VAL 133 OK 17 87 - 19 - ~10577=9, ~10572=5...(4) HE2 LYS 36 + QG2 VAL 133 OK 13 57 - 23 - ~10577=6, 3.0/10569=6...(5) HE3 LYS 31 + QG2 VAL 133 OK 12 100 - 12 - ~10577=4, 3.0/10569=3...(4) HE2 LYS 31 - QG2 VAL 133 lone 10 98 - 10 - 3.0/10569=3, ~10572=2...(4) HE3 LYS 19 - QG2 VAL 133 lone 4 98 - 4 - ~10577=1 HE3 LYS 26 - QG2 VAL 133 lone 3 100 - 3 - HE2 LYS 26 - QG2 VAL 133 lone 3 100 - 3 - HE3 LYS 86 - QG2 VAL 133 lone 3 73 - 4 - 3.7/10568=1 HE2 LYS 19 - QG2 VAL 133 lone 2 65 - 3 - HB3 ASN 121 - QG2 VAL 133 lone 1 81 - 1 - Peak 10572 from cnoeabs.peaks (1.66, 0.84, 22.13 ppm; 3.66 A): 7 out of 14 assignments used, quality = 0.74: HB2 LEU 69 + QG1 VAL 133 OK 23 81 - 28 - 2.9/11673=19...(3) HD3 LYS 24 + QG1 VAL 133 OK 23 99 - 23 - 3.5/11672=6, 3.0/10577=6...(6) HD2 LYS 24 + QG1 VAL 133 OK 23 100 - 23 - 3.5/11672=6, 3.0/10577=6...(6) HD2 LYS 36 + QG1 VAL 133 OK 16 73 - 21 - 3.0/10577=5, 3.5/10899=4...(6) HD3 LYS 36 + QG1 VAL 133 OK 16 73 - 21 - 3.0/10577=5, 3.5/10899=4...(6) HD3 LYS 31 + QG1 VAL 133 OK 12 99 - 12 - 3.5/11672=4, 3.0/10577=3...(4) HD2 LYS 31 + QG1 VAL 133 OK 12 100 - 11 - 3.5/11672=4, 3.0/10577=3...(4) QB ALA 88 - QG1 VAL 133 lone 4 100 - 4 - 9861/11680=2, 9861/11680=2 HD2 LYS 26 - QG1 VAL 133 lone 3 99 - 3 - HD3 LYS 26 - QG1 VAL 133 lone 3 96 - 3 - HD3 LYS 86 - QG1 VAL 133 lone 3 98 - 3 - HD2 LYS 86 - QG1 VAL 133 lone 3 98 - 3 - HD3 LYS 95 - QG1 VAL 133 lone 3 98 - 3 - HD2 LYS 95 - QG1 VAL 133 lone 1 73 - 1 - Peak 10573 from cnoeabs.peaks (1.33, 0.84, 22.13 ppm; 4.40 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10574 from cnoeabs.peaks (2.04, 0.84, 22.13 ppm; 4.51 A): 4 out of 7 assignments used, quality = 0.52: HB3 GLU 55 + QG1 VAL 133 OK 32 100 - 32 - 3.8/9280=19...(3) HG3 ARG 135 + QG1 VAL 133 OK 12 57 - 21 - 5.0/10556=17...(3) HB3 GLU 40 + QG1 VAL 133 OK 11 81 - 14 - 4.0/11665=8...(4) HG3 PRO 117 + QG1 VAL 133 OK 10 73 - 14 - 10575/2.1=7, ~10575=4...(4) QE MET 11 - QG1 VAL 133 lone 6 99 - 6 - 10575/2.1=3, 9086/10585=1 HG3 PRO 81 - QG1 VAL 133 lone 6 65 - 9 - 10575/2.1=6, 3.8/11668=2 HB3 GLU 91 - QG1 VAL 133 lone 1 57 - 2 - Peak 10575 from cnoeabs.peaks (2.05, 1.04, 23.73 ppm; 4.65 A): 0 out of 5 assignments used, low quality = 0.16: HB3 GLU 55 - QG2 VAL 133 OK 16 92 - 18 - 10574/2.1=14, 9086/10587=3 HG3 PRO 117 - QG2 VAL 133 lone 9 96 - 10 - 10574/2.1=5, 10582/4.0=2 HG3 PRO 81 - QG2 VAL 133 lone 8 92 - 9 - 10574/2.1=3, 3.8/11667=2...(5) HG2 PRO 117 - QG2 VAL 133 lone 6 81 - 8 - ~10574=4, 10582/4.0=2 QE MET 11 - QG2 VAL 133 lone 4 87 - 5 - 10574/2.1=3 Peak 10576 from cnoeabs.peaks (2.64, 0.84, 22.13 ppm; 4.99 A): 1 out of 1 assignment used, quality = 0.64: HG2 GLN 134 + QG1 VAL 133 OK 64 81 - 80 - 1.8/10601=34...(8) Peak 10577 from cnoeabs.peaks (2.96, 0.84, 22.13 ppm; 3.98 A): 5 out of 8 assignments used, quality = 0.61: HE2 LYS 24 + QG1 VAL 133 OK 22 100 - 22 - 3.0/10572=5, 3.0/10572=5...(6) HE2 LYS 36 + QG1 VAL 133 OK 18 100 - 18 - ~10571=4, 4.9/10899=4...(5) HE3 LYS 24 + QG1 VAL 133 OK 18 92 - 20 - 3.0/10572=5, 3.0/10572=5...(6) HE3 LYS 36 + QG1 VAL 133 OK 16 92 - 17 - 4.9/10899=4, 3.0/10572=4...(6) HE2 LYS 31 + QG1 VAL 133 OK 10 73 - 14 - 4.8/11672=3, 3.0/10572=3...(5) HE2 LYS 19 - QG1 VAL 133 lone 3 99 - 3 - HE3 LYS 86 - QG1 VAL 133 lone 2 98 - 2 - HE3 LYS 19 - QG1 VAL 133 lone 2 73 - 3 - Peak 10578 from cnoeabs.peaks (3.40, 0.84, 22.13 ppm; 4.93 A): 1 out of 2 assignments used, quality = 0.58: HA LYS 39 + QG1 VAL 133 OK 58 92 - 63 - ~11671=23, 9053=20...(10) HB3 HIS 67 - QG1 VAL 133 lone 4 81 - 5 - 1172/11680=1, 6449/11665=1 Peak 10579 from cnoeabs.peaks (2.92, 1.04, 23.73 ppm; 5.12 A): 2 out of 2 assignments used, quality = 0.67: HE3 LYS 39 + QG2 VAL 133 OK 48 96 - 50 - 4.9/11671=26...(6) HE2 LYS 39 + QG2 VAL 133 OK 37 73 - 50 - 4.9/11671=26...(6) Peak 10585 from cnoeabs.peaks (0.56, 0.84, 22.13 ppm; 3.57 A): 1 out of 1 assignment used, quality = 0.70: QD2 LEU 42 + QG1 VAL 133 OK 70 96 - 73 - 10587/2.1=32, 9081=22...(9) Peak 10586 from cnoeabs.peaks (0.25, 0.84, 22.13 ppm; 4.47 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10587 from cnoeabs.peaks (0.56, 1.04, 23.73 ppm; 3.21 A): 1 out of 1 assignment used, quality = 0.62: QD2 LEU 42 + QG2 VAL 133 OK 62 100 - 62 - 10585/2.1=23...(9) Peak 10588 from cnoeabs.peaks (0.27, 1.04, 23.73 ppm; 4.10 A): 0 out of 1 assignment used, low quality = 0.41: QD1 ILE 80 - QG2 VAL 133 OK 41 92 - 44 - 10590/3.2=20...(8) Peak 10590 from cnoeabs.peaks (0.27, 3.77, 65.08 ppm; 5.14 A): 1 out of 1 assignment used, quality = 0.55: QD1 ILE 80 + HA VAL 133 OK 55 99 - 55 - 10588/3.2=39...(6) Peak 10594 from cnoeabs.peaks (1.70, 2.65, 35.91 ppm; 6.80 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10595 from cnoeabs.peaks (1.05, 2.65, 35.91 ppm; 5.41 A): 0 out of 1 assignment used, low quality = 0.33: QG1 VAL 77 - HG2 GLN 134 OK 33 92 - 36 - 2.1/4289=8, 9652/2.9=8...(7) Peak 10596 from cnoeabs.peaks (0.75, 2.65, 35.91 ppm; 4.09 A): 2 out of 5 assignments used, quality = 0.71: QD2 LEU 43 + HG2 GLN 134 OK 61 92 - 66 - 2.1/11684=21, 9124=19...(7) QG1 VAL 93 + HG2 GLN 134 OK 26 100 - 27 - 11322/10597=10...(5) QD2 LEU 103 - HG2 GLN 134 poor 8 65 - 12 - 10593/4.9=8, 11685/1.8=4 HG12 ILE 129 - HG2 GLN 134 lone 4 100 - 4 - 11682/4.1=2 QD2 LEU 96 - HG2 GLN 134 lone 2 100 - 2 - Peak 10597 from cnoeabs.peaks (0.84, 2.65, 35.91 ppm; 4.81 A): 1 out of 2 assignments used, quality = 0.66: QG1 VAL 133 + HG2 GLN 134 OK 66 87 - 76 - 4.3/7950=33, ~10599=25...(8) QD2 LEU 22 - HG2 GLN 134 lone 10 100 - 10 - 7945/4.9=5, 10601/1.8=3 Peak 10598 from cnoeabs.peaks (1.65, 2.08, 35.91 ppm; 6.44 A): 3 out of 8 assignments used, quality = 0.82: HG LEU 43 + HG3 GLN 134 OK 75 87 - 86 - ~9124=47, ~11740=34...(8) HG LEU 62 + HG3 GLN 134 OK 20 100 - 20 - 2.1/10600=12, 1994/10600=6 HB2 LEU 123 + HG3 GLN 134 OK 10 100 - 10 - 4.6/10374=4, ~11582=2 HB2 LEU 98 - HG3 GLN 134 lone 5 98 - 5 - HD3 LYS 19 - HG3 GLN 134 lone 3 100 - 3 - HD2 LYS 19 - HG3 GLN 134 lone 3 100 - 3 - HD2 LYS 95 - HG3 GLN 134 lone 3 92 - 3 - HD3 LYS 26 - HG3 GLN 134 lone 2 65 - 3 - Peak 10599 from cnoeabs.peaks (1.05, 2.08, 35.91 ppm; 5.37 A): 1 out of 1 assignment used, quality = 0.70: QG2 VAL 133 + HG3 GLN 134 OK 70 81 - 87 - 2.1/10601=37, ~10576=33...(12) Peak 10600 from cnoeabs.peaks (0.68, 2.08, 35.91 ppm; 4.41 A): 0 out of 2 assignments used, low quality = 0.20: QD2 LEU 100 - HG3 GLN 134 OK 20 98 - 20 - 11919/3.5=17, 11684/1.8=2 QD2 LEU 62 - HG3 GLN 134 lone 6 100 - 6 - 2.1/10598=3 Peak 10601 from cnoeabs.peaks (0.83, 2.08, 35.91 ppm; 5.06 A): 2 out of 2 assignments used, quality = 0.81: QG1 VAL 133 + HG3 GLN 134 OK 79 100 - 79 - 10576/1.8=41...(7) QD2 LEU 22 + HG3 GLN 134 OK 12 87 - 13 - 7945/4.9=7, 10597/1.8=4 Peak 10602 from cnoeabs.peaks (2.93, 2.08, 35.91 ppm; 5.78 A): 3 out of 5 assignments used, quality = 0.72: HE2 LYS 39 + HG3 GLN 134 OK 44 100 - 45 - 2.9/1207=7, 2.9/1196=7...(11) HE3 LYS 39 + HG3 GLN 134 OK 42 98 - 43 - 2.9/1207=7, 2.9/1196=7...(10) HD2 ARG 135 + HG3 GLN 134 OK 14 73 - 19 - 6.2/7977=14 HG CYS 73 - HG3 GLN 134 lone 4 87 - 5 - 7985/4.9=3 HB3 ASN 116 - HG3 GLN 134 lone 4 98 - 4 - 7985/4.9=2 Peak 10603 from cnoeabs.peaks (2.95, 2.65, 35.91 ppm; 5.92 A): 2 out of 4 assignments used, quality = 0.52: HB2 CYS 45 + HG2 GLN 134 OK 39 87 - 45 - 11738/4.1=26, ~6540=7...(6) HD2 ARG 135 + HG2 GLN 134 OK 22 57 - 38 - 6.2/7976=26, 11738/4.1=13 HE2 LYS 24 - HG2 GLN 134 lone 4 81 - 5 - 10577/10597=2, 11738/4.1=2 HE2 LYS 36 - HG2 GLN 134 lone 2 65 - 3 - 10577/10597=1 Peak 10604 from cnoeabs.peaks (3.79, 2.65, 35.91 ppm; 5.33 A): 1 out of 2 assignments used, quality = 0.56: HA ARG 90 + HG2 GLN 134 OK 56 99 - 57 - 10625/4.9=26...(8) HA SER 130 - HG2 GLN 134 poor 8 57 - 14 - 7938/4.9=10...(3) Peak 10605 from cnoeabs.peaks (3.80, 2.08, 35.91 ppm; 6.80 A): 1 out of 3 assignments used, quality = 0.45: HA ARG 90 + HG3 GLN 134 OK 45 65 - 69 - 10626/3.5=40...(8) HB2 SER 9 - HG3 GLN 134 lone 9 100 - 9 - 10626/3.5=5, 10625/4.9=1 HB3 SER 9 - HG3 GLN 134 lone 6 99 - 6 - 10626/3.5=3 Peak 10613 from cnoeabs.peaks (7.05, 4.02, 58.76 ppm; 5.15 A): 1 out of 1 assignment used, quality = 0.93: HE ARG 135 + HA ARG 135 OK 93 99 - 94 - 6.3=53, 4.0/4309=23...(13) Peak 10614 from cnoeabs.peaks (7.06, 1.90, 31.04 ppm; 5.96 A): 1 out of 1 assignment used, quality = 0.67: QD PHE 89 + HB2 ARG 135 OK 67 98 - 68 - 10615/2.9=49...(3) Peak 10615 from cnoeabs.peaks (7.06, 1.71, 27.30 ppm; 3.93 A): 0 out of 1 assignment used, low quality = 0.29: QD PHE 89 - HG2 ARG 135 OK 29 98 - 30 - 10614/2.9=14...(4) Peak 10616 from cnoeabs.peaks (7.05, 2.03, 27.30 ppm; 4.07 A): 1 out of 1 assignment used, quality = 1.00: * HE ARG 135 + HG3 ARG 135 OK 100 100 - 100 - 4.0=100 Peak 10617 from cnoeabs.peaks (7.05, 2.94, 44.19 ppm; 4.13 A): 1 out of 1 assignment used, quality = 0.81: * HE ARG 135 + HD2 ARG 135 OK 81 81 - 100 - 2.9=100 Peak 10618 from cnoeabs.peaks (6.93, 2.94, 44.19 ppm; 4.65 A): 0 out of 1 assignment used, low quality = 0.38: HE21 GLN 82 - HD2 ARG 135 OK 38 98 - 38 - 10621/1.8=38 Peak 10619 from cnoeabs.peaks (6.68, 2.94, 44.19 ppm; 4.49 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10620 from cnoeabs.peaks (7.05, 3.23, 44.19 ppm; 3.91 A): 1 out of 1 assignment used, quality = 0.81: HE ARG 135 + HD3 ARG 135 OK 81 81 - 100 - 2.9=100 Peak 10621 from cnoeabs.peaks (6.93, 3.23, 44.19 ppm; 4.44 A): 0 out of 1 assignment used, low quality = 0.28: HE21 GLN 82 - HD3 ARG 135 OK 28 81 - 35 - 10618/1.8=33, 11291/11294=2 Peak 10622 from cnoeabs.peaks (6.62, 3.23, 44.19 ppm; 4.44 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10623 from cnoeabs.peaks (8.11, 3.23, 44.19 ppm; 6.15 A): 0 out of 2 assignments used, low quality = 0.33: H PHE 87 - HD3 ARG 135 OK 33 65 - 51 - 4.2/4352=15...(9) H THR 25 - HD3 ARG 135 lone 5 96 - 5 - 4.7/4355=2 Peak 10635 from cnoeabs.peaks (3.52, 3.23, 44.19 ppm; 4.36 A): 1 out of 1 assignment used, quality = 0.88: HA VAL 132 + HD3 ARG 135 OK 88 99 - 88 - 11868/2.9=37...(14) Peak 10636 from cnoeabs.peaks (3.53, 2.94, 44.19 ppm; 4.32 A): 1 out of 1 assignment used, quality = 0.50: HA VAL 132 + HD2 ARG 135 OK 50 65 - 76 - 11868/2.9=32...(13) Peak 10638 from cnoeabs.peaks (3.50, 1.90, 31.04 ppm; 5.34 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10640 from cnoeabs.peaks (1.13, 3.23, 44.19 ppm; 4.23 A): 3 out of 4 assignments used, quality = 0.99: QG1 VAL 132 + HD3 ARG 135 OK 86 98 - 88 - 3.2/10635=28, ~10636=19...(18) QG2 VAL 132 + HD3 ARG 135 OK 80 92 - 87 - 3.2/10635=28, ~10636=19...(18) HG2 LYS 39 + HD3 ARG 135 OK 57 100 - 57 - 11875/2.9=8, 1178/3.0=7...(18) QG2 THR 115 - HD3 ARG 135 lone 3 100 - 3 - Peak 10643 from cnoeabs.peaks (7.27, 3.25, 28.77 ppm; 4.52 A): 1 out of 3 assignments used, quality = 1.00: HD2 HIS 10 + HB3 HIS 10 OK 100 100 - 100 - 3.9=100 H ASN 85 - HB3 HIS 10 lone 3 92 - 3 - 10645/1.8=1 QE PHE 87 - HB3 HIS 10 lone 1 81 - 2 - Peak 10644 from cnoeabs.peaks (7.26, 4.69, 55.19 ppm; 6.26 A): 1 out of 3 assignments used, quality = 0.96: HD2 HIS 10 + HA HIS 10 OK 96 96 - 100 - 4.7=100 H ASN 85 - HA HIS 10 lone 4 65 - 6 - 10642/3.0=2, 10643/3.0=1 HE ARG 84 - HA HIS 10 lone 2 81 - 2 - Peak 10645 from cnoeabs.peaks (7.27, 3.17, 28.77 ppm; 4.48 A): 1 out of 3 assignments used, quality = 0.92: HD2 HIS 10 + HB2 HIS 10 OK 92 92 - 100 - 3.9=100 H ASN 85 - HB2 HIS 10 lone 3 100 - 3 - 10643/1.8=1 QE PHE 87 - HB2 HIS 10 lone 2 99 - 2 - Peak 10649 from cnoeabs.peaks (1.34, 4.42, 55.13 ppm; 4.76 A): 0 out of 2 assignments used, low quality = 0.00: QB ALA 46 - HA MET 11 lone 5 96 - 5 - ~1457=4 QB ALA 21 - HA MET 11 lone 1 96 - 1 - Peak 10651 from cnoeabs.peaks (0.90, 2.02, 32.84 ppm; 2.89 A): 0 out of 5 assignments used, low quality = 0.23: QG2 VAL 63 - HB3 MET 11 OK 23 73 - 32 - 2.1/2029=7, ~9401=6...(10) QG1 VAL 118 - HB3 MET 11 lone 3 98 - 3 - 10269/2.9=2 QG1 VAL 20 - HB3 MET 11 lone 1 92 - 1 - QD2 LEU 48 - HB3 MET 11 lone 1 87 - 1 - QD1 LEU 22 - HB3 MET 11 lone 1 73 - 1 - Peak 10654 from cnoeabs.peaks (1.37, 4.66, 53.15 ppm; 5.46 A): 2 out of 10 assignments used, quality = 0.50: HG2 LYS 19 + HA ASN 13 OK 44 73 - 60 - 11759/3.0=23...(5) HG2 LYS 24 + HA ASN 13 OK 11 81 - 14 - 10656/3.0=5, 11759/3.0=4 HB2 LEU 42 - HA ASN 13 lone 4 87 - 5 - 10656/3.0=2, 11759/3.0=2 HB2 LEU 96 - HA ASN 13 lone 4 73 - 6 - 10656/3.0=3, 11759/3.0=2 HB3 LEU 100 - HA ASN 13 lone 4 81 - 5 - 10656/3.0=2, 11759/3.0=2 HG3 LYS 26 - HA ASN 13 lone 4 65 - 6 - 10656/3.0=2, 4.9/175=2 HG2 LYS 36 - HA ASN 13 lone 4 73 - 5 - 10656/3.0=3, 11759/3.0=1 QB ALA 29 - HA ASN 13 lone 3 73 - 4 - 10656/3.0=1, 11759/3.0=1 QB ALA 15 - HA ASN 13 lone 2 57 - 3 - ~6084=1 QB ALA 110 - HA ASN 13 lone 1 57 - 2 - Peak 10656 from cnoeabs.peaks (1.37, 2.77, 38.79 ppm; 4.93 A): 2 out of 10 assignments used, quality = 0.47: HG2 LYS 19 + HB3 ASN 13 OK 41 73 - 56 - 11759/1.8=22...(5) HG2 LYS 24 + HB3 ASN 13 OK 10 81 - 13 - 11759/1.8=4, 10654/3.0=4 HB2 LEU 96 - HB3 ASN 13 lone 6 73 - 8 - 3.8/9985=4, 11759/1.8=2 HG2 LYS 36 - HB3 ASN 13 lone 5 73 - 7 - 10900/11580=3...(3) HG3 LYS 26 - HB3 ASN 13 lone 4 65 - 7 - 4.9/189=2, 11421/11580=2 HB3 LEU 100 - HB3 ASN 13 lone 4 81 - 5 - 11759/1.8=2, 10654/3.0=1 HB2 LEU 42 - HB3 ASN 13 lone 4 87 - 4 - 11759/1.8=2, 10654/3.0=2 QB ALA 29 - HB3 ASN 13 lone 3 73 - 4 - 11759/1.8=1, 10654/3.0=1 QB ALA 15 - HB3 ASN 13 lone 1 57 - 2 - QB ALA 110 - HB3 ASN 13 lone 1 57 - 2 - Peak 10660 from cnoeabs.peaks (1.37, 3.92, 45.20 ppm; 3.82 A): 4 out of 22 assignments used, quality = 0.86: QB ALA 15 + HA2 GLY 14 OK 58 73 - 79 - 4.9=47, 2.9/6116=18...(11) QB ALA 15 + HA3 GLY 14 OK 57 71 - 79 - 4.9=47, 2.9/6116=18...(11) QB ALA 110 + HA2 GLY 14 OK 11 73 - 15 - 2.9/11477=8, ~11477=6 QB ALA 110 + HA3 GLY 14 OK 11 71 - 15 - 2.9/11477=8, ~11477=6 HG2 LYS 24 - HA2 GLY 14 lone 4 92 - 4 - HG2 LYS 24 - HA3 GLY 14 lone 3 90 - 4 - HG3 LYS 26 - HA2 GLY 14 lone 3 81 - 3 - HG3 LYS 26 - HA3 GLY 14 lone 3 79 - 3 - QB ALA 108 - HA2 GLY 14 lone 2 57 - 4 - 2.9/7556=1 QB ALA 108 - HA3 GLY 14 lone 2 56 - 4 - 2.9/7556=1 HB2 LEU 96 - HA2 GLY 14 lone 2 87 - 2 - HB2 LEU 96 - HA3 GLY 14 lone 2 85 - 2 - HB2 LEU 42 - HA2 GLY 14 lone 1 96 - 1 - HG2 LYS 36 - HA2 GLY 14 lone 1 87 - 1 - HG2 LYS 36 - HA3 GLY 14 lone 1 85 - 1 - HB2 LEU 42 - HA3 GLY 14 lone 1 94 - 1 - QB ALA 29 - HA2 GLY 14 lone 1 87 - 1 - QB ALA 29 - HA3 GLY 14 lone 1 85 - 1 - HB3 LEU 100 - HA2 GLY 14 lone 1 92 - 1 - HB3 LEU 100 - HA3 GLY 14 lone 1 90 - 1 - QB ALA 28 - HA2 GLY 14 lone 1 65 - 1 - QB ALA 28 - HA3 GLY 14 lone 1 64 - 1 - Peak 10661 from cnoeabs.peaks (0.93, 3.92, 45.20 ppm; 3.85 A): 0 out of 10 assignments used, low quality = 0.00: QG2 VAL 112 - HA2 GLY 14 lone 4 73 - 6 - 11496/4.9=2, 10667/10675=1 QG2 VAL 112 - HA3 GLY 14 lone 4 71 - 6 - 11496/4.9=2, 10667/10675=1 QG2 ILE 37 - HA2 GLY 14 lone 1 96 - 1 - QG2 ILE 37 - HA3 GLY 14 lone 1 94 - 1 - QD1 LEU 48 - HA2 GLY 14 lone 1 73 - 1 - QD1 LEU 48 - HA3 GLY 14 lone 1 71 - 1 - QD1 LEU 123 - HA2 GLY 14 lone 1 96 - 1 - QD1 LEU 123 - HA3 GLY 14 lone 1 94 - 1 - QD1 LEU 119 - HA2 GLY 14 lone 1 57 - 1 - QD1 LEU 119 - HA3 GLY 14 lone 1 56 - 1 - Peak 10663 from cnoeabs.peaks (0.91, 1.38, 19.12 ppm; 3.18 A): 0 out of 25 assignments used, low quality = 0.32: QD1 LEU 49 - QB ALA 110 OK 13 97 - 14 - 2.1/11488=5, 1580/2.9=3...(5) QG1 VAL 20 - QB ALA 110 OK 12 90 - 13 - 10714=7, 353/2.9=2...(5) QD2 LEU 48 - QB ALA 110 OK 11 94 - 12 - 1527/2.9=3, ~11478=3...(5) QD1 LEU 49 - QB ALA 108 lone 7 87 - 8 - 2.1/11488=2, 11484/2.9=2...(4) QD1 LEU 49 - QB ALA 28 lone 7 91 - 8 - ~10776=5, 2.1/11488=2 QD1 LEU 62 - QB ALA 15 lone 7 99 - 7 - 9394/4.7=6 QG2 VAL 63 - QB ALA 108 lone 4 87 - 5 - 11484/2.9=2, ~11486=1 QD1 LEU 62 - QB ALA 108 lone 4 86 - 5 - 11484/2.9=2, ~11483=1 QG1 VAL 20 - QB ALA 29 lone 2 78 - 2 - 10714=1 QG1 VAL 20 - QB ALA 28 lone 2 83 - 2 - QD1 LEU 49 - QB ALA 15 lone 1 100 - 1 - QG1 VAL 20 - QB ALA 15 lone 1 96 - 1 - QD2 LEU 48 - QB ALA 108 lone 1 83 - 2 - QG1 VAL 20 - QB ALA 108 lone 1 80 - 1 - QG2 VAL 63 - QB ALA 29 lone 1 85 - 1 - QD2 LEU 48 - QB ALA 15 lone 1 98 - 1 - QD1 LEU 62 - QB ALA 110 lone 1 96 - 1 - QD1 LEU 49 - QB ALA 29 lone 1 85 - 1 - QD1 LEU 62 - QB ALA 28 lone 1 89 - 1 - QG2 VAL 63 - QB ALA 110 lone 1 97 - 1 - QD2 LEU 48 - QB ALA 29 lone 1 81 - 1 - QD1 LEU 62 - QB ALA 29 lone 1 83 - 1 - QG2 VAL 63 - QB ALA 28 lone 1 91 - 1 - QG2 VAL 63 - QB ALA 15 lone 1 100 - 1 - QD2 LEU 48 - QB ALA 28 lone 1 87 - 1 - Peak 10669 from cnoeabs.peaks (1.13, 4.28, 52.57 ppm; 4.05 A): 3 out of 4 assignments used, quality = 0.47: QG1 VAL 132 + HA ALA 16 OK 24 98 - 24 - 11652/3.0=17, ~10674=8 QG2 VAL 132 + HA ALA 16 OK 18 92 - 19 - ~11652=12, 10674/3.0=7 QG2 THR 115 + HA ALA 16 OK 15 100 - 15 - 3646=3, 10674/3.0=2...(8) HG2 LYS 39 - HA ALA 16 lone 2 100 - 2 - Peak 10671 from cnoeabs.peaks (0.79, 4.28, 52.57 ppm; 4.66 A): 0 out of 5 assignments used, low quality = 0.18: QD2 LEU 122 - HA ALA 16 OK 18 96 - 19 - ~10673=12, ~10668=6 QG1 VAL 63 - HA ALA 16 lone 2 73 - 3 - 4.0/6803=1 QD1 LEU 53 - HA ALA 16 lone 2 98 - 2 - 11728/3.0=1 QD2 LEU 49 - HA ALA 16 lone 1 87 - 1 - QD1 LEU 103 - HA ALA 16 lone 1 65 - 1 - Peak 10672 from cnoeabs.peaks (1.12, 1.40, 19.06 ppm; 3.79 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10673 from cnoeabs.peaks (0.80, 1.40, 19.06 ppm; 3.57 A): 0 out of 4 assignments used, low quality = 0.34: QG2 ILE 80 - QB ALA 16 OK 22 65 - 34 - 2.1/9713=17, 11176=13 QD1 LEU 122 - QB ALA 16 OK 15 99 - 15 - ~10671=10, 10668/2.9=4 QD2 LEU 119 - QB ALA 16 lone 1 96 - 1 - QD2 LEU 49 - QB ALA 16 lone 1 73 - 1 - Peak 10676 from cnoeabs.peaks (3.93, 4.28, 52.57 ppm; 3.95 A): 3 out of 5 assignments used, quality = 0.50: HB2 SER 107 + HA ALA 16 OK 31 87 - 36 - 10677/2.1=19, ~10104=11...(6) HA3 GLY 14 + HA ALA 16 OK 16 65 - 25 - 10677/2.1=8, 10675/3.0=7...(6) HA2 GLY 14 + HA ALA 16 OK 14 57 - 24 - 10677/2.1=7, 10675/3.0=6...(6) HA2 GLY 111 - HA ALA 16 lone 7 98 - 7 - 10677/2.1=3, 10675/3.0=2 HD3 PRO 113 - HA ALA 16 lone 3 65 - 4 - 4.8/10128=3 Peak 10677 from cnoeabs.peaks (3.92, 1.40, 19.06 ppm; 3.65 A): 3 out of 4 assignments used, quality = 0.66: HB2 SER 107 + QB ALA 16 OK 49 98 - 50 - 10109=25, 10676/2.1=13...(7) HA3 GLY 14 + QB ALA 16 OK 19 87 - 22 - 10676/2.1=7, 10675/2.9=6...(5) HA2 GLY 14 + QB ALA 16 OK 18 81 - 22 - 10676/2.1=6, 10675/2.9=6...(5) HA2 GLY 111 - QB ALA 16 lone 7 87 - 8 - 10676/2.1=3...(3) Peak 10679 from cnoeabs.peaks (1.37, 3.96, 45.21 ppm; 4.06 A): 2 out of 14 assignments used, quality = 0.48: HB3 LEU 100 + HA3 GLY 17 OK 28 73 - 38 - 1.8/3233=6, 3.2/3258=5...(12) HB3 LEU 100 + HA2 GLY 17 OK 28 73 - 38 - 1.8/3233=6, 3.2/3258=5...(12) HG2 LYS 19 - HA2 GLY 17 lone 4 81 - 5 - 10683/3.6=4 HG2 LYS 19 - HA3 GLY 17 lone 4 81 - 5 - 10683/3.6=4 HG2 LYS 36 - HA2 GLY 17 lone 2 65 - 4 - 1016/3.6=2 HG2 LYS 36 - HA3 GLY 17 lone 2 65 - 4 - 1016/3.6=2 HB2 LEU 96 - HA2 GLY 17 lone 2 65 - 3 - 3070/4.7=1 HB2 LEU 96 - HA3 GLY 17 lone 2 65 - 3 - 3070/4.7=1 HB2 LEU 42 - HA3 GLY 17 lone 1 81 - 1 - HB2 LEU 42 - HA2 GLY 17 lone 1 81 - 1 - HG2 LYS 24 - HA3 GLY 17 lone 1 73 - 1 - HG2 LYS 24 - HA2 GLY 17 lone 1 73 - 1 - QB ALA 29 - HA2 GLY 17 lone 1 65 - 1 - QB ALA 29 - HA3 GLY 17 lone 1 65 - 1 - Peak 10680 from cnoeabs.peaks (0.92, 3.96, 45.21 ppm; 3.92 A): 0 out of 12 assignments used, low quality = 0.37: QD1 LEU 62 - HA2 GLY 17 OK 11 87 - 13 - 9394/4.7=8, 10684/3.6=4 QD1 LEU 62 - HA3 GLY 17 OK 11 87 - 13 - 9394/4.7=8, 10684/3.6=4 QG2 VAL 112 - HA2 GLY 17 OK 11 96 - 11 - 10678/3.0=9, 10684/3.6=2 QG2 VAL 112 - HA3 GLY 17 OK 11 96 - 11 - 10678/3.0=9, 10684/3.6=2 QD1 LEU 48 - HA2 GLY 17 lone 5 96 - 5 - 10678/3.0=3, 10684/3.6=1 QD1 LEU 48 - HA3 GLY 17 lone 5 96 - 5 - 10678/3.0=3, 10684/3.6=1 QG2 VAL 63 - HA3 GLY 17 lone 5 65 - 7 - 10684/3.6=6 QG2 VAL 63 - HA2 GLY 17 lone 5 65 - 7 - 10684/3.6=6 QD1 LEU 123 - HA2 GLY 17 lone 3 73 - 4 - 10678/3.0=3 QD1 LEU 123 - HA3 GLY 17 lone 3 73 - 4 - 10678/3.0=3 QD1 LEU 49 - HA3 GLY 17 lone 1 81 - 2 - QD1 LEU 49 - HA2 GLY 17 lone 1 81 - 2 - Peak 10682 from cnoeabs.peaks (2.31, 1.17, 21.38 ppm; 3.48 A): 0 out of 2 assignments used, low quality = 0.13: HG2 GLU 40 - QG2 THR 18 OK 13 87 - 15 - 1.8/10930=5, 3.9/9056=4...(4) HB3 GLN 101 - QG2 THR 18 lone 0 73 - 1 - Peak 10685 from cnoeabs.peaks (0.90, 4.29, 61.95 ppm; 4.89 A): 3 out of 5 assignments used, quality = 0.46: QG1 VAL 20 + HA THR 18 OK 31 92 - 34 - 10687/3.0=18...(4) QG2 VAL 63 + HA THR 18 OK 13 73 - 18 - 10687/3.0=7, 10698/3.6=7 QD2 LEU 48 + HA THR 18 OK 11 87 - 12 - 10687/3.0=5, 10698/3.6=3...(4) QG1 VAL 118 - HA THR 18 lone 7 98 - 7 - 10687/3.0=4, 10698/3.6=2 QD1 LEU 22 - HA THR 18 lone 2 73 - 2 - Peak 10686 from cnoeabs.peaks (1.35, 4.29, 61.95 ppm; 4.00 A): 2 out of 2 assignments used, quality = 0.50: QB ALA 12 + HA THR 18 OK 31 96 - 33 - 10683/3.0=15, 6151/3.6=4...(9) HG2 LYS 19 + HA THR 18 OK 27 65 - 42 - 4.9/226=22, 10683/3.0=16...(4) Peak 10687 from cnoeabs.peaks (0.90, 4.19, 69.81 ppm; 4.60 A): 0 out of 5 assignments used, low quality = 0.36: QG1 VAL 20 - HB THR 18 OK 29 92 - 31 - 10685/3.0=14...(4) QG2 VAL 63 - HB THR 18 OK 11 73 - 15 - 10685/3.0=6, 10698/4.6=5 QD2 LEU 48 - HB THR 18 lone 8 87 - 9 - 10685/3.0=5, 10698/4.6=2 QG1 VAL 118 - HB THR 18 lone 6 98 - 6 - 10685/3.0=3, 10698/4.6=1 QD1 LEU 22 - HB THR 18 lone 1 73 - 2 - Peak 10688 from cnoeabs.peaks (1.36, 4.19, 69.81 ppm; 4.54 A): 2 out of 2 assignments used, quality = 0.63: HG2 LYS 19 + HB THR 18 OK 47 100 - 47 - 270/4.6=26, 10683/3.8=14...(5) QB ALA 12 + HB THR 18 OK 30 92 - 33 - 10683/3.8=12...(6) Peak 10689 from cnoeabs.peaks (1.80, 4.19, 69.81 ppm; 4.83 A): 1 out of 4 assignments used, quality = 0.55: HB2 LYS 86 + HB THR 18 OK 55 98 - 56 - 9824/2.1=33, ~11286=18...(5) HB3 LEU 123 - HB THR 18 poor 5 38 - 14 - ~10696=12, 10712/10687=1 HB3 LEU 122 - HB THR 18 lone 5 96 - 5 - 10712/10687=4 HB3 LEU 103 - HB THR 18 lone 2 92 - 3 - 10712/10687=1 Peak 10691 from cnoeabs.peaks (1.39, 4.20, 69.83 ppm; 4.11 A): 3 out of 15 assignments used, quality = 0.52: HG3 LYS 26 + HB THR 25 OK 31 87 - 36 - 4.9/6247=21, 3.0/10693=9...(5) HG2 LYS 24 + HB THR 25 OK 21 73 - 29 - 6234/3.9=9, 2.9/10693=8...(5) HB3 LEU 100 + HB THR 25 OK 11 73 - 15 - ~11128=10, 6234/3.9=2 QB ALA 28 - HB THR 25 lone 9 96 - 10 - ~10772=7 HG3 LYS 31 - HB THR 25 lone 5 98 - 5 - 6253/4.3=3, ~11832=1 QB ALA 15 - HB THR 25 lone 3 92 - 4 - HG2 LYS 36 - HB THR 25 lone 3 81 - 4 - 6253/4.3=2, 6234/3.9=1 QB ALA 29 - HB THR 25 lone 2 81 - 3 - HG3 LYS 95 - HB THR 25 lone 2 99 - 2 - QB ALA 110 - HB THR 25 lone 2 92 - 2 - HG2 LYS 95 - HB THR 25 lone 2 100 - 2 - HB2 LEU 96 - HB THR 25 lone 1 81 - 1 - QB ALA 108 - HB THR 25 lone 1 98 - 1 - QB ALA 109 - HB THR 25 lone 1 100 - 1 - HB2 LEU 42 - HB THR 25 lone 1 65 - 1 - Peak 10692 from cnoeabs.peaks (1.64, 4.20, 69.83 ppm; 4.53 A): 0 out of 3 assignments used, low quality = 0.00: HG LEU 43 - HB THR 25 lone 2 81 - 2 - 10510/7895=1 HG3 ARG 84 - HB THR 25 lone 1 100 - 1 - HG2 ARG 84 - HB THR 25 lone 1 100 - 1 - Peak 10693 from cnoeabs.peaks (1.76, 4.20, 69.83 ppm; 4.27 A): 3 out of 5 assignments used, quality = 0.72: HB2 LYS 26 + HB THR 25 OK 37 87 - 43 - 4.0/6247=30...(4) HB2 ARG 23 + HB THR 25 OK 37 100 - 37 - 4.2/587=11, 433/4.3=8...(9) HB2 LYS 24 + HB THR 25 OK 29 65 - 45 - 4.7/583=27, 4.1/587=11...(4) HB2 LYS 19 - HB THR 25 poor 9 87 - 10 - 6250/4.3=4, 6232/3.9=2 HB2 LYS 39 - HB THR 25 lone 1 92 - 1 - Peak 10694 from cnoeabs.peaks (2.02, 4.20, 69.83 ppm; 4.81 A): 0 out of 7 assignments used, low quality = 0.20: HB2 GLU 44 - HB THR 25 OK 20 100 - 20 - 3.0/10695=10, ~9141=9 HG2 ARG 90 - HB THR 25 lone 10 100 - 10 - ~11303=3, 4.6/7208=3...(4) HB2 GLN 134 - HB THR 25 lone 6 99 - 6 - 1.8/10695=3, 1419/10695=1 HB3 GLU 30 - HB THR 25 lone 6 98 - 6 - 3.0/10695=3 HG2 PRO 58 - HB THR 25 lone 2 96 - 3 - HB VAL 63 - HB THR 25 lone 1 100 - 1 - HB3 MET 11 - HB THR 25 lone 1 100 - 1 - Peak 10695 from cnoeabs.peaks (2.34, 4.20, 69.83 ppm; 5.17 A): 2 out of 4 assignments used, quality = 0.57: HB VAL 77 + HB THR 25 OK 40 98 - 41 - ~11154=15, 2392/2.1=9...(7) HG2 GLU 44 + HB THR 25 OK 28 100 - 28 - 3.0/10694=15, ~9141=12 HG3 GLU 30 - HB THR 25 lone 7 87 - 8 - 3.0/10694=5 HB3 GLN 134 - HB THR 25 lone 7 73 - 9 - 1.8/10694=6, 1406/10694=2 Peak 10696 from cnoeabs.peaks (1.65, 1.17, 21.38 ppm; 3.27 A): 3 out of 7 assignments used, quality = 0.51: HB2 LEU 123 + QG2 THR 18 OK 23 98 - 23 - 1.8/10697=21 HD3 LYS 19 + QG2 THR 18 OK 21 99 - 21 - 5.2/11763=6, 303/4.3=6...(4) HD2 LYS 19 + QG2 THR 18 OK 21 99 - 21 - 5.2/11763=6, 303/4.3=6...(4) HG LEU 43 - QG2 THR 18 lone 3 96 - 3 - 4.6/10942=2 HG LEU 62 - QG2 THR 18 lone 3 100 - 3 - ~11002=1 HB2 LEU 98 - QG2 THR 18 lone 1 92 - 1 - HD2 LYS 95 - QG2 THR 18 lone 0 81 - 1 - Peak 10697 from cnoeabs.peaks (1.83, 1.17, 21.38 ppm; 3.59 A): 0 out of 5 assignments used, low quality = 0.12: HB3 LEU 123 - QG2 THR 18 OK 12 89 - 13 - 1.8/10696=13 HB3 ARG 23 - QG2 THR 18 lone 3 73 - 4 - 3.0/233=2 HB2 LEU 100 - QG2 THR 18 lone 1 65 - 2 - ~10038=1 HB VAL 93 - QG2 THR 18 lone 1 98 - 1 - HB2 CYS 79 - QG2 THR 18 lone 0 73 - 0 - Peak 10701 from cnoeabs.peaks (0.88, 1.75, 32.77 ppm; 4.21 A): 0 out of 6 assignments used, low quality = 0.37: QD2 LEU 123 - HB2 LYS 26 OK 21 82 - 26 - 10756/3.0=12...(3) QD2 LEU 123 - HB2 LYS 19 OK 19 96 - 20 - 11574/4.6=8, 3946/3.9=2...(4) QD2 LEU 98 - HB2 LYS 19 lone 5 96 - 5 - ~10898=1 QD2 LEU 123 - HB2 LYS 24 lone 5 69 - 7 - 11421/2.9=2, 10756/628=1 QD2 LEU 98 - HB2 LYS 26 lone 3 82 - 3 - QD2 LEU 98 - HB2 LYS 24 lone 2 69 - 3 - Peak 10703 from cnoeabs.peaks (0.89, 1.38, 24.62 ppm; 3.62 A): 0 out of 8 assignments used, low quality = 0.25: QG2 VAL 20 - HG3 LYS 26 OK 15 63 - 25 - 2.1/10714=14, 10756/1.8=12 QD2 LEU 123 - HG3 LYS 26 OK 11 39 - 29 - 10756/1.8=16, 11421=4...(6) QG1 VAL 118 - HG2 LYS 24 lone 6 81 - 7 - 10262=2, 2.1/10264=2...(4) QG2 VAL 20 - HG2 LYS 24 lone 5 100 - 5 - 2.1/10714=4, 10756/631=1 QG1 VAL 118 - HG3 LYS 26 poor 5 44 - 11 - 2.1/10264=3, 10262=3...(4) QD2 LEU 123 - HG2 LYS 24 lone 5 73 - 6 - 10756/631=1, 11421=1 QD1 LEU 22 - HG3 LYS 26 lone 2 61 - 3 - 10756/1.8=1 QD1 LEU 22 - HG2 LYS 24 lone 1 99 - 1 - Peak 10705 from cnoeabs.peaks (0.93, 2.96, 41.80 ppm; 3.99 A): 0 out of 32 assignments used, low quality = 0.33: QG2 ILE 37 - HE3 LYS 36 OK 14 75 - 18 - 10912/3.0=5, 10912/3.0=5...(5) QD1 LEU 123 - HE3 LYS 19 OK 13 98 - 13 - 3954/2.9=3, 3954/2.9=3...(4) QD1 LEU 123 - HE3 LYS 36 OK 11 83 - 14 - 3955/4.9=3, 3.2/1064=2...(6) QD1 LEU 123 - HE3 LYS 26 lone 6 83 - 7 - 3954/3.0=2, ~3946=2 QD1 LEU 123 - HE2 LYS 26 lone 6 83 - 7 - 3954/3.0=2, ~3946=2 QG2 ILE 37 - HE2 LYS 31 lone 5 92 - 5 - 10911/3.7=3 QG2 ILE 37 - HE3 LYS 31 lone 4 75 - 6 - 10911/3.7=3 QD1 LEU 123 - HE3 LYS 86 lone 1 54 - 3 - QD1 LEU 123 - HE3 LYS 24 lone 1 83 - 2 - QG2 ILE 37 - HE3 LYS 26 lone 1 75 - 2 - QG2 ILE 37 - HE2 LYS 26 lone 1 75 - 2 - QG2 ILE 37 - HE3 LYS 24 lone 1 75 - 2 - QD1 LEU 123 - HE2 LYS 31 lone 1 98 - 1 - QG2 ILE 37 - HE3 LYS 19 lone 1 92 - 1 - QD1 LEU 123 - HE3 LYS 31 lone 1 83 - 1 - QG2 ILE 37 - HE3 LYS 86 lone 1 48 - 2 - QG2 VAL 112 - HE2 LYS 31 lone 1 81 - 1 - QG2 VAL 112 - HE3 LYS 31 lone 1 64 - 1 - QG2 VAL 112 - HE3 LYS 36 lone 1 64 - 1 - QD1 LEU 48 - HE3 LYS 19 lone 1 81 - 1 - QG2 VAL 112 - HE3 LYS 19 lone 1 81 - 1 - QG2 VAL 112 - HE2 LYS 26 lone 1 64 - 1 - QG2 VAL 112 - HE3 LYS 26 lone 1 64 - 1 - QG2 VAL 112 - HE3 LYS 24 lone 0 64 - 1 - QD1 LEU 48 - HE2 LYS 31 lone 0 81 - 1 - QD1 LEU 48 - HE3 LYS 36 lone 0 64 - 1 - QD1 LEU 48 - HE2 LYS 26 lone 0 64 - 1 - QD1 LEU 48 - HE3 LYS 26 lone 0 64 - 1 - QD1 LEU 48 - HE3 LYS 24 lone 0 64 - 1 - QD1 LEU 48 - HE3 LYS 31 lone 0 64 - 1 - QD1 LEU 48 - HE3 LYS 86 lone 0 39 - 1 - QG2 VAL 112 - HE3 LYS 86 lone 0 39 - 1 - Peak 10706 from cnoeabs.peaks (1.76, 3.99, 62.40 ppm; 4.61 A): 0 out of 2 assignments used, low quality = 0.27: HB2 ARG 23 - HA VAL 20 OK 27 73 - 38 - 1.8/10707=20...(5) HB2 LYS 39 - HA VAL 20 lone 1 99 - 1 - Peak 10707 from cnoeabs.peaks (1.83, 3.99, 62.40 ppm; 4.67 A): 2 out of 4 assignments used, quality = 0.72: HB3 ARG 23 + HA VAL 20 OK 50 87 - 57 - 1.8/10706=38...(6) HB3 LEU 123 + HA VAL 20 OK 45 86 - 52 - 3.0/10708=12...(14) HB2 LEU 100 - HA VAL 20 lone 2 81 - 3 - ~10714=1 HB VAL 93 - HA VAL 20 lone 1 100 - 1 - Peak 10708 from cnoeabs.peaks (1.57, 3.99, 62.40 ppm; 4.59 A): 4 out of 5 assignments used, quality = 0.90: HG LEU 123 + HA VAL 20 OK 59 98 - 60 - 3.0/10707=14...(18) HG LEU 49 + HA VAL 20 OK 46 99 - 47 - 2.1/10710=15, 2.1/339=7...(14) HG2 ARG 23 + HA VAL 20 OK 46 92 - 50 - 3.0/10706=31...(7) HB2 LEU 103 + HA VAL 20 OK 13 81 - 15 - ~10712=5, ~11709=3...(4) HG13 ILE 37 - HA VAL 20 lone 3 65 - 4 - 3956/11772=1 Peak 10709 from cnoeabs.peaks (1.34, 3.99, 62.40 ppm; 4.58 A): 1 out of 2 assignments used, quality = 0.82: QB ALA 21 + HA VAL 20 OK 82 99 - 83 - 6181/3.6=39...(10) QB ALA 46 - HA VAL 20 lone 8 99 - 8 - 6181/3.6=3, 9192/6657=2 Peak 10710 from cnoeabs.peaks (0.79, 3.99, 62.40 ppm; 4.09 A): 4 out of 5 assignments used, quality = 0.64: QD2 LEU 49 + HA VAL 20 OK 33 92 - 36 - 2.1/10708=8, 2.1/339=7...(12) QD2 LEU 122 + HA VAL 20 OK 27 92 - 29 - ~10713=19, ~10712=8, ~11942=4 QD1 LEU 53 + HA VAL 20 OK 18 99 - 18 - 3.1/338=3, 4.3/6657=3...(7) QG1 VAL 63 + HA VAL 20 OK 12 65 - 18 - 11019=5, 2.1/339=4...(7) QD2 LEU 119 - HA VAL 20 lone 3 65 - 4 - Peak 10711 from cnoeabs.peaks (1.36, 2.00, 32.56 ppm; 4.48 A): 0 out of 2 assignments used, low quality = 0.20: HG2 LYS 19 - HB VAL 20 OK 20 99 - 21 - 6163/4.0=20 QB ALA 12 - HB VAL 20 lone 6 98 - 6 - 6163/4.0=5 Peak 10712 from cnoeabs.peaks (1.80, 0.91, 20.62 ppm; 3.41 A): 0 out of 4 assignments used, low quality = 0.31: HB3 LEU 122 - QG1 VAL 20 OK 31 96 - 33 - 3.0/10713=27, ~11748=3...(4) HB3 LEU 103 - QG1 VAL 20 poor 9 92 - 10 - 3.1/11722=2...(3) HB3 LEU 123 - QG1 VAL 20 poor 8 38 - 20 - 3.2/352=4, ~3924=3...(9) HB2 LYS 86 - QG1 VAL 20 lone 4 98 - 4 - 10689/10687=2 Peak 10713 from cnoeabs.peaks (1.60, 0.91, 20.62 ppm; 3.35 A): 0 out of 1 assignment used, low quality = 0.15: HG LEU 122 - QG1 VAL 20 OK 15 73 - 21 - 3.0/10712=15, ~10710=3, ~11942=3 Peak 10714 from cnoeabs.peaks (1.37, 0.91, 20.62 ppm; 3.05 A): 0 out of 11 assignments used, low quality = 0.11: HG3 LYS 26 - QG1 VAL 20 OK 11 81 - 14 - 10703/2.1=6, ~10756=6 QB ALA 110 - QG1 VAL 20 lone 7 73 - 9 - 10663=3, 2.9/353=2, 3.7/353=1 HG2 LYS 24 - QG1 VAL 20 lone 3 92 - 3 - 10703/2.1=2 QB ALA 29 - QG1 VAL 20 lone 1 87 - 1 - HB3 LEU 100 - QG1 VAL 20 lone 1 92 - 1 - QB ALA 28 - QG1 VAL 20 lone 1 65 - 1 - QB ALA 15 - QG1 VAL 20 lone 1 73 - 1 - HG2 LYS 36 - QG1 VAL 20 lone 1 87 - 1 - HB2 LEU 42 - QG1 VAL 20 lone 1 96 - 1 - QB ALA 108 - QG1 VAL 20 lone 0 57 - 1 - HB2 LEU 96 - QG1 VAL 20 lone 0 87 - 0 - Peak 10720 from cnoeabs.peaks (1.19, 4.28, 55.17 ppm; 4.91 A): 0 out of 2 assignments used, low quality = 0.00: QG2 VAL 77 - HA LEU 22 lone 3 96 - 3 - 11841/11835=2 QG2 THR 25 - HA LEU 22 lone 3 99 - 3 - Peak 10721 from cnoeabs.peaks (2.02, 4.28, 55.17 ppm; 6.22 A): 0 out of 9 assignments used, low quality = 0.28: HB3 GLU 91 - HA LEU 22 OK 28 73 - 38 - 3.0/10722=32, ~10719=7 HG2 ARG 90 - HA LEU 22 lone 8 99 - 8 - 4.0/11835=6 HB VAL 63 - HA LEU 22 lone 6 98 - 7 - 4.0/6803=2, 4.5/6819=2 HB3 MET 11 - HA LEU 22 lone 4 99 - 4 - HB3 GLU 30 - HA LEU 22 lone 4 92 - 4 - 4.6/6330=1 HG2 PRO 58 - HA LEU 22 lone 3 99 - 3 - HB2 GLN 134 - HA LEU 22 lone 2 96 - 2 - HB2 GLU 44 - HA LEU 22 lone 2 100 - 2 - HG3 ARG 135 - HA LEU 22 lone 2 73 - 3 - Peak 10722 from cnoeabs.peaks (2.12, 4.28, 55.17 ppm; 5.42 A): 0 out of 2 assignments used, low quality = 0.13: HG3 GLU 91 - HA LEU 22 OK 13 73 - 18 - 3.0/10721=13, ~10719=4 HB VAL 112 - HA LEU 22 lone 4 100 - 4 - 10128=2 Peak 10723 from cnoeabs.peaks (2.26, 4.28, 55.17 ppm; 5.63 A): 0 out of 3 assignments used, low quality = 0.00: HG2 GLU 97 - HA LEU 22 lone 4 65 - 6 - 10004/3.9=2, 10004/373=2 HB2 PRO 81 - HA LEU 22 lone 3 81 - 4 - ~10719=3 HB VAL 105 - HA LEU 22 lone 2 98 - 2 - Peak 10725 from cnoeabs.peaks (4.03, 0.84, 23.38 ppm; 3.86 A): 1 out of 6 assignments used, quality = 0.60: HA LEU 119 + QD2 LEU 22 OK 60 99 - 61 - 2.9/402=13, 3756/3.1=10...(14) HB3 SER 124 - QD2 LEU 22 lone 5 99 - 5 - 10371/2.1=1, 10371/3.1=1 HA ILE 37 - QD2 LEU 22 lone 1 81 - 2 - HA LYS 95 - QD2 LEU 22 lone 1 73 - 1 - HA ARG 135 - QD2 LEU 22 lone 0 57 - 1 - HD3 PRO 81 - QD2 LEU 22 lone 0 57 - 1 - Peak 10727 from cnoeabs.peaks (0.89, 4.29, 55.99 ppm; 4.45 A): 3 out of 4 assignments used, quality = 0.91: QD1 LEU 22 + HA ARG 23 OK 83 98 - 84 - 6201/2.9=21, ~399=16...(19) QG2 VAL 20 + HA ARG 23 OK 43 100 - 43 - ~10706=14, 6201/2.9=9...(7) QG1 VAL 118 + HA ARG 23 OK 12 73 - 16 - 6201/2.9=6, 10260/3.0=3 QD2 LEU 123 - HA ARG 23 lone 8 81 - 9 - 2.1/420=2, 3.2/419=1, ~429=1 Peak 10728 from cnoeabs.peaks (8.13, 4.29, 55.99 ppm; 2.93 A): 0 out of 5 assignments used, low quality = 0.00: H ALA 15 - HA ARG 23 poor 8 81 - 11 - 6118=3, 6115/3.6=2, 4.6/11760=2 H ILE 32 - HA ARG 23 lone 3 92 - 4 - H VAL 133 - HA ARG 23 lone 1 57 - 1 - 6195/2.9=1 H ASP 71 - HA ARG 23 lone 0 99 - 0 - H GLU 91 - HA ARG 23 lone 0 57 - 1 - Peak 10729 from cnoeabs.peaks (1.36, 3.17, 43.21 ppm; 4.56 A): 0 out of 4 assignments used, low quality = 0.24: HG2 LYS 19 - HD2 ARG 23 OK 13 100 - 13 - 3.0/472=2, ~11882=2...(8) HG2 LYS 19 - HD3 ARG 23 OK 13 100 - 13 - 3.0/463=2, ~11882=2...(8) QB ALA 12 - HD2 ARG 23 lone 7 87 - 8 - 2.1/471=2, ~471=1, ~462=1 QB ALA 12 - HD3 ARG 23 lone 7 87 - 8 - 2.1/462=2, ~471=1, ~462=1 Peak 10738 from cnoeabs.peaks (1.16, 1.75, 32.73 ppm; 4.20 A): 4 out of 8 assignments used, quality = 0.80: HG12 ILE 32 + HB2 LYS 26 OK 38 79 - 49 - 913/1.8=6, ~10753=6...(17) HG12 ILE 32 + HB2 LYS 31 OK 33 51 - 65 - 6354/4.6=18, 10816/3.0=8...(21) HG12 ILE 32 + HB2 LYS 19 OK 32 69 - 46 - 913/1.8=5, ~10753=5...(20) HG12 ILE 32 + HB2 LYS 24 OK 30 96 - 31 - 913/1.8=4, 5.2/6343=3...(12) HG3 LYS 39 - HB2 LYS 31 lone 3 56 - 6 - 6354/4.6=4 HG3 LYS 39 - HB2 LYS 26 lone 2 85 - 2 - HG3 LYS 39 - HB2 LYS 24 lone 2 99 - 2 - HG3 LYS 39 - HB2 LYS 19 lone 1 75 - 2 - Peak 10739 from cnoeabs.peaks (0.87, 1.66, 28.90 ppm; 3.66 A): 0 out of 24 assignments used, low quality = 0.21: QD2 LEU 69 - HD3 LYS 24 OK 11 100 - 11 - 2217/1.8=2, 2216/5.4=2...(4) QD2 LEU 69 - HD2 LYS 24 OK 11 99 - 11 - 2216/5.4=2, 2217/1.8=2, 2217=1 QD2 LEU 69 - HD3 LYS 31 lone 10 100 - 10 - 2217/1.8=2, 10898/3.5=1 QD2 LEU 69 - HD2 LYS 31 lone 10 99 - 10 - 2217/1.8=1, 10898/3.5=1, 2217=1 QD2 LEU 98 - HD2 LYS 26 lone 5 87 - 6 - QD2 LEU 98 - HD3 LYS 31 lone 5 87 - 6 - QD2 LEU 98 - HD2 LYS 31 lone 5 85 - 6 - QD2 LEU 98 - HD3 LYS 26 lone 5 79 - 6 - QD1 LEU 98 - HD3 LYS 31 lone 4 73 - 5 - QD1 LEU 98 - HD2 LYS 31 lone 4 71 - 5 - QD1 LEU 98 - HD2 LYS 26 lone 4 73 - 5 - QD2 LEU 98 - HD3 LYS 24 lone 3 87 - 4 - QD2 LEU 98 - HD2 LYS 24 lone 3 85 - 4 - QD1 LEU 98 - HD3 LYS 26 lone 3 66 - 5 - QD1 LEU 98 - HD3 LYS 24 lone 3 73 - 3 - QD1 LEU 98 - HD2 LYS 24 lone 3 71 - 3 - QD2 LEU 69 - HD3 LYS 26 lone 2 95 - 2 - QD2 LEU 69 - HD2 LYS 26 lone 2 100 - 2 - QG2 VAL 57 - HD3 LYS 31 lone 1 73 - 1 - QG2 VAL 57 - HD2 LYS 31 lone 1 71 - 1 - QG2 VAL 57 - HD2 LYS 26 lone 1 73 - 1 - QG2 VAL 57 - HD3 LYS 24 lone 1 73 - 1 - QG2 VAL 57 - HD2 LYS 24 lone 1 71 - 1 - QG2 VAL 57 - HD3 LYS 26 lone 1 66 - 1 - Peak 10743 from cnoeabs.peaks (8.58, 4.29, 61.82 ppm; 5.15 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10748 from cnoeabs.peaks (0.88, 1.75, 32.72 ppm; 4.21 A): 0 out of 6 assignments used, low quality = 0.40: QD2 LEU 123 - HB2 LYS 26 OK 28 98 - 28 - 10756/3.0=14...(3) QD2 LEU 123 - HB2 LYS 19 OK 18 86 - 21 - 11574/4.6=8, 3946/3.9=2...(4) QD2 LEU 123 - HB2 LYS 24 lone 6 82 - 7 - 11421/2.9=2, 10756/628=2 QD2 LEU 98 - HB2 LYS 19 lone 4 78 - 5 - ~10898=1 QD2 LEU 98 - HB2 LYS 26 lone 3 92 - 3 - QD2 LEU 98 - HB2 LYS 24 lone 2 75 - 2 - Peak 10749 from cnoeabs.peaks (1.18, 1.82, 32.72 ppm; 4.31 A): 0 out of 6 assignments used, low quality = 0.13: QG2 VAL 77 - HB3 LYS 26 OK 13 87 - 14 - ~9644=2, 11763/3.0=2...(6) QG2 THR 18 - HB3 LYS 26 lone 9 96 - 9 - 11763/3.0=4, 4.3/6150=2 QG2 THR 18 - HB3 LYS 24 lone 3 51 - 6 - 4.3/6150=3 QB ALA 41 - HB3 LYS 26 lone 3 92 - 3 - QG2 VAL 77 - HB3 LYS 24 lone 2 43 - 4 - 6242/4.7=1 QB ALA 41 - HB3 LYS 24 lone 1 47 - 2 - Peak 10751 from cnoeabs.peaks (0.79, 1.82, 32.72 ppm; 4.20 A): 0 out of 8 assignments used, low quality = 0.00: QD2 LEU 49 - HB3 LYS 26 lone 6 99 - 6 - 2.1/446=1 QD2 LEU 119 - HB3 LYS 26 lone 3 87 - 4 - QD2 LEU 49 - HB3 LYS 24 lone 2 55 - 4 - QD2 LEU 122 - HB3 LYS 26 lone 2 73 - 2 - QD1 LEU 53 - HB3 LYS 26 lone 1 100 - 1 - QD2 LEU 119 - HB3 LYS 24 lone 1 43 - 3 - QD1 LEU 53 - HB3 LYS 24 lone 1 57 - 1 - QD2 LEU 122 - HB3 LYS 24 lone 0 35 - 1 - Peak 10753 from cnoeabs.peaks (0.78, 4.27, 56.60 ppm; 4.66 A): 3 out of 12 assignments used, quality = 0.77: QD1 ILE 32 + HA LYS 26 OK 48 100 - 48 - ~10738=6, 2.1/10816=6...(16) QD1 ILE 32 + HA LYS 19 OK 37 81 - 46 - ~10738=5, 2.1/10816=5...(19) QG1 VAL 63 + HA LYS 19 OK 31 70 - 45 - 11016/3.0=21...(4) QG1 VAL 63 - HA LYS 26 lone 6 92 - 7 - 11014/271=3 QD1 ILE 37 - HA LYS 26 lone 5 100 - 5 - 4.9/6403=1 QD1 LEU 96 - HA LYS 26 lone 4 87 - 4 - QD1 ILE 37 - HA LYS 19 lone 3 81 - 4 - QD1 LEU 96 - HA LYS 19 lone 2 65 - 2 - QD1 LEU 103 - HA LYS 26 lone 1 96 - 1 - QD1 LEU 103 - HA LYS 19 lone 1 74 - 2 - QD2 LEU 122 - HA LYS 26 lone 1 65 - 2 - QD2 LEU 122 - HA LYS 19 lone 1 47 - 1 - Peak 10755 from cnoeabs.peaks (0.86, 1.66, 28.90 ppm; 4.10 A): 6 out of 30 assignments used, quality = 0.88: QG2 ILE 32 + HD3 LYS 31 OK 45 73 - 62 - 10840/3.0=6, 908/2.9=5...(28) QG2 ILE 32 + HD2 LYS 31 OK 39 64 - 61 - 10840/3.0=6, 908/2.9=5...(27) QG2 ILE 32 + HD3 LYS 26 OK 30 81 - 38 - 10840/3.0=4, 10840/3.0=4...(15) QG2 ILE 32 + HD2 LYS 26 OK 27 73 - 37 - 10840/3.0=4, 10840/3.0=4...(14) QG2 ILE 32 + HD3 LYS 24 OK 18 73 - 24 - 908/3.0=2, ~900=2...(9) QG2 ILE 32 + HD2 LYS 24 OK 16 64 - 24 - 908/3.0=2, ~900=2...(9) QD1 LEU 98 - HD3 LYS 26 lone 8 100 - 8 - 2.1/3194=1 QD1 LEU 98 - HD3 LYS 31 lone 8 95 - 8 - QD1 LEU 98 - HD2 LYS 26 lone 7 95 - 7 - 3186/1.8=1 QD1 LEU 98 - HD2 LYS 31 lone 7 86 - 8 - QD2 LEU 69 - HD3 LYS 24 lone 7 66 - 10 - ~2201=1, ~2209=1...(5) QD2 LEU 69 - HD3 LYS 31 lone 6 66 - 9 - 10898/3.5=1, 2217/1.8=1...(4) QD2 LEU 69 - HD2 LYS 24 lone 5 57 - 10 - 2216/5.4=1, ~2201=1...(4) QD2 LEU 69 - HD2 LYS 31 lone 5 57 - 9 - 10898/3.5=1 QD1 LEU 98 - HD3 LYS 24 lone 5 95 - 5 - QD2 LEU 70 - HD3 LYS 31 lone 5 84 - 6 - 11114/2.9=2 QD1 LEU 98 - HD2 LYS 24 lone 4 86 - 5 - QD2 LEU 70 - HD2 LYS 31 lone 4 75 - 6 - 11114/2.9=2 QD2 LEU 70 - HD3 LYS 26 lone 3 92 - 3 - 11115/11389=1 QD2 LEU 70 - HD2 LYS 26 lone 3 84 - 3 - 11115/11389=1 QD2 LEU 70 - HD3 LYS 24 lone 2 84 - 3 - QG2 VAL 57 - HD3 LYS 26 lone 2 100 - 2 - QD2 LEU 70 - HD2 LYS 24 lone 2 75 - 3 - QG2 VAL 57 - HD3 LYS 31 lone 2 95 - 2 - QG2 VAL 57 - HD2 LYS 26 lone 2 95 - 2 - QG2 VAL 57 - HD2 LYS 31 lone 2 86 - 2 - QG2 VAL 57 - HD3 LYS 24 lone 2 95 - 2 - QD2 LEU 69 - HD3 LYS 26 lone 2 73 - 2 - QG2 VAL 57 - HD2 LYS 24 lone 1 86 - 2 - QD2 LEU 69 - HD2 LYS 26 lone 1 66 - 2 - Peak 10756 from cnoeabs.peaks (0.89, 1.43, 24.54 ppm; 3.68 A): 0 out of 3 assignments used, low quality = 0.39: QD2 LEU 123 - HG2 LYS 26 OK 25 98 - 25 - 10748/3.0=8, 10703/1.8=7...(7) QG2 VAL 20 - HG2 LYS 26 OK 19 96 - 20 - ~10714=11, 10703/1.8=9 QD1 LEU 22 - HG2 LYS 26 lone 2 81 - 2 - 10703/1.8=1 Peak 10757 from cnoeabs.peaks (0.85, 2.97, 41.80 ppm; 3.52 A): 5 out of 15 assignments used, quality = 0.77: QG2 ILE 32 + HE3 LYS 31 OK 36 92 - 40 - 10840=7, 10840/1.8=5...(14) QG2 ILE 32 + HE2 LYS 31 OK 26 75 - 35 - 10840/1.8=7, 10840=5...(9) QG2 ILE 32 + HE2 LYS 26 OK 25 92 - 28 - 10840/1.8=5, 10840=5...(7) QG2 ILE 32 + HE3 LYS 26 OK 25 92 - 28 - 10840/1.8=5, 10840=5...(7) QG2 ILE 32 + HE3 LYS 19 OK 14 75 - 18 - 908/3.8=3, 10840=2...(7) QD2 LEU 70 - HE3 LYS 31 lone 2 81 - 2 - 11114/3.7=1 QD2 LEU 70 - HE2 LYS 31 lone 1 64 - 2 - 11114/3.7=1 QD2 LEU 70 - HE3 LYS 26 lone 1 81 - 1 - QD2 LEU 70 - HE2 LYS 26 lone 1 81 - 1 - QD2 LEU 22 - HE3 LYS 31 lone 1 73 - 1 - QD2 LEU 22 - HE2 LYS 31 lone 0 57 - 1 - QD2 LEU 70 - HE3 LYS 19 lone 0 64 - 1 - QD2 LEU 22 - HE3 LYS 26 lone 0 73 - 1 - QD2 LEU 22 - HE2 LYS 26 lone 0 73 - 1 - QD2 LEU 22 - HE3 LYS 19 lone 0 57 - 1 - Peak 10760 from cnoeabs.peaks (0.93, 4.24, 56.10 ppm; 4.65 A): 2 out of 4 assignments used, quality = 0.60: QD1 LEU 123 + HA GLN 27 OK 43 100 - 44 - 10767/3.7=30...(5) QG2 ILE 37 + HA GLN 27 OK 29 65 - 43 - 2.1/694=11, ~1074=6...(10) QD1 LEU 48 - HA GLN 27 lone 4 98 - 4 - 10767/3.7=2 QG2 VAL 112 - HA GLN 27 lone 3 98 - 3 - 10767/3.7=2 Peak 10761 from cnoeabs.peaks (1.38, 1.96, 29.32 ppm; 4.11 A): 3 out of 15 assignments used, quality = 0.96: QB ALA 28 + HB2 GLN 27 OK 88 100 - 88 - 2.9/6297=29, ~718=16...(18) HG3 LYS 26 + HB2 GLN 27 OK 43 99 - 43 - 5.0/6271=20...(7) QB ALA 29 + HB2 GLN 27 OK 34 98 - 35 - ~10788=11, 6304/4.6=9...(9) HG2 LYS 36 - HB2 GLN 27 OK 11 98 - 11 - 5.0/10894=5, 1016/6413=2 HG2 LYS 24 - HB2 GLN 27 OK 11 96 - 11 - 647/4.0=5, 10768/3.0=3 HG3 LYS 31 - HB2 GLN 27 lone 5 81 - 6 - 6265/4.0=2, 10768/3.0=1 HG3 LYS 95 - HB2 GLN 27 lone 4 99 - 4 - HG2 LYS 95 - HB2 GLN 27 lone 4 96 - 4 - HB2 LEU 96 - HB2 GLN 27 lone 3 98 - 3 - QB ALA 15 - HB2 GLN 27 lone 3 100 - 3 - HB3 LEU 100 - HB2 GLN 27 lone 3 96 - 3 - QB ALA 110 - HB2 GLN 27 lone 2 100 - 2 - QB ALA 108 - HB2 GLN 27 lone 2 100 - 2 - HB2 LEU 42 - HB2 GLN 27 lone 2 92 - 2 - QB ALA 109 - HB2 GLN 27 lone 1 92 - 1 - Peak 10762 from cnoeabs.peaks (1.39, 2.06, 29.32 ppm; 4.47 A): 3 out of 13 assignments used, quality = 0.89: QB ALA 28 + HB3 GLN 27 OK 80 87 - 92 - 2.9/718=28, ~6297=21...(18) HG3 LYS 26 + HB3 GLN 27 OK 29 73 - 39 - 5.0/710=20, ~10765=9...(5) QB ALA 29 + HB3 GLN 27 OK 25 65 - 38 - 2.9/10788=14, 6304/4.6=9...(8) HG3 LYS 31 - HB3 GLN 27 lone 6 100 - 6 - 6265/4.0=1, ~10765=1 HG2 LYS 95 - HB3 GLN 27 lone 4 99 - 4 - HG3 LYS 95 - HB3 GLN 27 lone 4 96 - 4 - HG2 LYS 36 - HB3 GLN 27 lone 3 65 - 5 - 10761/1.8=2, 6265/4.0=1 QB ALA 15 - HB3 GLN 27 lone 2 81 - 3 - HG LEU 96 - HB3 GLN 27 lone 2 73 - 3 - 10385/10384=1 QB ALA 108 - HB3 GLN 27 lone 2 92 - 2 - QB ALA 110 - HB3 GLN 27 lone 2 81 - 2 - QB ALA 109 - HB3 GLN 27 lone 2 100 - 2 - HB2 LEU 96 - HB3 GLN 27 lone 2 65 - 2 - Peak 10763 from cnoeabs.peaks (1.37, 2.36, 33.67 ppm; 4.20 A): 0 out of 10 assignments used, low quality = 0.33: HG3 LYS 26 - HG3 GLN 27 OK 22 65 - 34 - 5.0/728=18, 1.8/10765=14...(4) QB ALA 29 - HG3 GLN 27 OK 14 73 - 19 - ~10788=8, 6304/4.9=4...(6) HG2 LYS 24 - HG3 GLN 27 lone 5 81 - 6 - 6265/4.6=2, 1.8/10765=2 HG2 LYS 36 - HG3 GLN 27 lone 2 73 - 3 - HB3 LEU 100 - HG3 GLN 27 lone 1 81 - 2 - HG2 LYS 19 - HG3 GLN 27 lone 1 73 - 2 - HB2 LEU 42 - HG3 GLN 27 lone 1 87 - 1 - HB2 LEU 96 - HG3 GLN 27 lone 1 73 - 2 - QB ALA 15 - HG3 GLN 27 lone 1 57 - 1 - QB ALA 110 - HG3 GLN 27 lone 1 57 - 1 - Peak 10764 from cnoeabs.peaks (1.17, 2.36, 33.67 ppm; 4.23 A): 0 out of 3 assignments used, low quality = 0.11: HG12 ILE 32 - HG3 GLN 27 OK 11 87 - 12 - 1.8/10765=11 QB ALA 41 - HG3 GLN 27 lone 5 99 - 5 - 10766/3.0=2, 9069/10767=2 QG2 THR 18 - HG3 GLN 27 lone 2 98 - 2 - Peak 10765 from cnoeabs.peaks (1.44, 2.36, 33.67 ppm; 4.33 A): 3 out of 6 assignments used, quality = 0.66: HG2 LYS 26 + HG3 GLN 27 OK 39 96 - 41 - 5.0/728=20, 1.8/10763=18...(4) HG13 ILE 32 + HG3 GLN 27 OK 30 99 - 30 - 1.8/10764=25...(3) QB ALA 92 + HG3 GLN 27 OK 21 81 - 26 - 9948/3.0=9, 11319=9...(4) HG2 LYS 31 - HG3 GLN 27 lone 6 92 - 6 - 6264/4.6=3, 916/10764=1 HG3 LYS 24 - HG3 GLN 27 lone 4 65 - 7 - 1.8/10763=4, ~10761=1 HG3 LYS 19 - HG3 GLN 27 lone 2 81 - 3 - 1.8/10763=1 Peak 10766 from cnoeabs.peaks (1.18, 1.96, 29.32 ppm; 5.50 A): 0 out of 3 assignments used, low quality = 0.24: QG2 VAL 77 - HB2 GLN 27 OK 24 96 - 25 - 10772/4.6=10...(6) QB ALA 41 - HB2 GLN 27 poor 10 81 - 12 - 10764/3.0=5, 9069/1090=2...(4) QG2 THR 18 - HB2 GLN 27 lone 4 87 - 4 - 10764/3.0=2 Peak 10767 from cnoeabs.peaks (0.92, 2.36, 33.67 ppm; 3.70 A): 0 out of 3 assignments used, low quality = 0.31: QD1 LEU 123 - HG3 GLN 27 OK 31 96 - 33 - 11579=17, 10760/3.7=9...(4) QD1 LEU 48 - HG3 GLN 27 lone 2 100 - 2 - QG2 VAL 112 - HG3 GLN 27 lone 1 100 - 1 - Peak 10768 from cnoeabs.peaks (1.38, 4.24, 56.10 ppm; 3.37 A): 4 out of 15 assignments used, quality = 0.90: QB ALA 28 + HA GLN 27 OK 69 100 - 69 - 2.9/700=28, 10761/3.0=8...(15) HG3 LYS 26 + HA GLN 27 OK 48 99 - 49 - 647/3.0=14, ~636=10...(12) QB ALA 29 + HA GLN 27 OK 26 98 - 27 - 6304/3.6=8, ~10788=5...(10) HG2 LYS 24 + HA GLN 27 OK 13 96 - 14 - 647/3.0=4, ~6262=2...(6) HG3 LYS 31 - HA GLN 27 lone 6 81 - 8 - ~6264=2, 6265/3.0=1 HG2 LYS 36 - HA GLN 27 lone 4 98 - 4 - 6265/3.0=2, 10761/3.0=1 HG3 LYS 95 - HA GLN 27 lone 3 99 - 3 - HG2 LYS 95 - HA GLN 27 lone 3 96 - 3 - QB ALA 15 - HA GLN 27 lone 2 100 - 2 - HB3 LEU 100 - HA GLN 27 lone 2 96 - 2 - HB2 LEU 96 - HA GLN 27 lone 2 98 - 2 - QB ALA 108 - HA GLN 27 lone 1 100 - 1 - QB ALA 110 - HA GLN 27 lone 1 100 - 1 - HB2 LEU 42 - HA GLN 27 lone 1 92 - 1 - QB ALA 109 - HA GLN 27 lone 1 92 - 1 - Peak 10776 from cnoeabs.peaks (0.79, 4.24, 52.47 ppm; 4.03 A): 0 out of 4 assignments used, low quality = 0.00: QD2 LEU 49 - HA ALA 28 lone 7 96 - 8 - 11488/2.1=4, ~10663=2 QD2 LEU 122 - HA ALA 28 lone 7 87 - 8 - 10337/2.1=7 QD1 LEU 53 - HA ALA 28 lone 4 100 - 4 - 11488/2.1=2 QD2 LEU 119 - HA ALA 28 lone 2 73 - 2 - Peak 10778 from cnoeabs.peaks (8.33, 4.23, 52.53 ppm; 3.45 A): 0 out of 3 assignments used, low quality = 0.42: H ALA 28 - HA ALA 29 OK 42 73 - 58 - 6307/2.9=20, 2.9/747=10...(14) H GLU 44 - HA ALA 29 lone 5 99 - 5 - 4.6/10782=1, 6307/2.9=1 H LYS 86 - HA ALA 29 lone 3 92 - 3 - 4.0/10784=2 Peak 10779 from cnoeabs.peaks (1.17, 4.23, 52.53 ppm; 4.92 A): 0 out of 3 assignments used, low quality = 0.00: QG2 VAL 77 - HA ALA 29 poor 9 65 - 13 - 2.1/10786=6, ~10792=3 QB ALA 41 - HA ALA 29 lone 4 99 - 4 - QG2 THR 18 - HA ALA 29 lone 3 100 - 3 - Peak 10780 from cnoeabs.peaks (0.78, 4.23, 52.53 ppm; 4.03 A): 3 out of 5 assignments used, quality = 0.62: QD1 ILE 32 + HA ALA 29 OK 46 87 - 53 - 3.0/10781=14...(7) QD2 LEU 122 + HA ALA 29 OK 21 96 - 22 - 3907/3.6=10, 10337/2.1=9 QD1 ILE 37 + HA ALA 29 OK 11 96 - 12 - 2.1/9006=2, 3.2/9003=1...(4) QD1 LEU 103 - HA ALA 29 lone 6 100 - 6 - 10265/10271=2, 7747/3.6=1 QG1 VAL 63 - HA ALA 29 lone 4 100 - 4 - Peak 10781 from cnoeabs.peaks (0.85, 4.23, 52.53 ppm; 5.15 A): 2 out of 4 assignments used, quality = 0.79: QG2 ILE 32 + HA ALA 29 OK 71 100 - 71 - 3.0/10780=22...(8) QD2 LEU 70 + HA ALA 29 OK 27 100 - 27 - 3.2/10782=9, 3.2/10782=7...(10) QD1 LEU 98 - HA ALA 29 lone 8 81 - 9 - 4.8/7352=3 QG2 VAL 57 - HA ALA 29 lone 2 81 - 2 - Peak 10782 from cnoeabs.peaks (1.72, 4.23, 52.53 ppm; 5.02 A): 0 out of 6 assignments used, low quality = 0.26: HG2 ARG 135 - HA ALA 29 OK 16 65 - 25 - 1.8/10785=19, 2.9/10783=5 HB3 LEU 70 - HA ALA 29 OK 12 92 - 13 - 3.2/10781=8, ~11113=1 HB2 LEU 70 - HA ALA 29 poor 9 73 - 13 - 3.2/10781=8, ~11113=1 HB2 LEU 43 - HA ALA 29 lone 5 73 - 6 - 4.6/10778=4, 1357/10778=2 HD3 LYS 39 - HA ALA 29 lone 3 87 - 3 - HG LEU 48 - HA ALA 29 lone 2 87 - 3 - Peak 10783 from cnoeabs.peaks (1.81, 4.23, 52.53 ppm; 3.44 A): 4 out of 11 assignments used, quality = 0.64: HB ILE 32 + HA ALA 29 OK 45 98 - 46 - 10818=12, 3.2/10780=11...(8) HB3 LYS 31 + HA ALA 29 OK 15 98 - 15 - 4.6/10819=6, 4.0/6325=6 HB3 ARG 135 + HA ALA 29 OK 12 98 - 13 - 2.9/10785=7, 2.9/10782=5 HB3 ARG 23 + HA ALA 29 OK 11 73 - 15 - ~425=4, 434/2.9=4...(6) HB3 LEU 123 - HA ALA 29 poor 8 66 - 12 - 3.9/748=6, 1.8/11573=3...(4) HB3 LYS 26 - HA ALA 29 lone 7 96 - 7 - 10749/10779=1 HB3 LYS 24 - HA ALA 29 lone 5 100 - 5 - HB2 LYS 36 - HA ALA 29 lone 4 99 - 4 - HB3 LYS 19 - HA ALA 29 lone 4 98 - 4 - HB2 LEU 100 - HA ALA 29 lone 3 81 - 4 - HB2 ARG 84 - HA ALA 29 lone 1 87 - 1 - Peak 10784 from cnoeabs.peaks (1.95, 4.23, 52.53 ppm; 4.83 A): 3 out of 5 assignments used, quality = 0.85: HB2 GLU 30 + HA ALA 29 OK 77 87 - 89 - 4.0/748=32, 10791/2.1=23...(16) HB3 LYS 86 + HA ALA 29 OK 21 92 - 23 - ~10790=7, 10791/2.1=6...(5) HB3 ARG 90 + HA ALA 29 OK 15 100 - 15 - 6318/3.6=3, 10791/2.1=3...(6) HB2 PRO 58 - HA ALA 29 lone 9 100 - 9 - 10791/2.1=2, 6318/3.6=2 HB3 PRO 81 - HA ALA 29 lone 2 92 - 2 - Peak 10785 from cnoeabs.peaks (2.04, 4.23, 52.53 ppm; 5.14 A): 0 out of 5 assignments used, low quality = 0.27: HG3 ARG 135 - HA ALA 29 OK 17 81 - 21 - 1.8/10782=14, 2.9/10783=5 HB3 GLU 91 - HA ALA 29 OK 12 81 - 14 - 3.0/9916=6, ~11307=4, 3.0/9915=3 HB3 GLU 40 - HA ALA 29 lone 3 96 - 3 - HB3 GLU 55 - HA ALA 29 lone 2 99 - 2 - QE MET 11 - HA ALA 29 lone 1 100 - 1 - Peak 10786 from cnoeabs.peaks (2.33, 4.23, 52.53 ppm; 5.30 A): 3 out of 4 assignments used, quality = 0.86: HG3 GLU 30 + HA ALA 29 OK 79 92 - 86 - 5.1/748=29, 3.0/10784=23...(12) HB VAL 77 + HA ALA 29 OK 22 73 - 31 - 2.1/10779=22...(3) HB3 GLN 134 + HA ALA 29 OK 14 98 - 14 - 6321/3.6=5, 10792/2.1=3...(5) HG3 GLN 68 - HA ALA 29 lone 3 98 - 3 - Peak 10790 from cnoeabs.peaks (1.80, 1.38, 19.08 ppm; 3.19 A): 0 out of 25 assignments used, low quality = 0.00: HB3 LYS 31 - QB ALA 15 poor 9 56 - 17 - ~809=2, ~842=2, ~831=2...(6) HB2 LYS 86 - QB ALA 29 lone 5 65 - 8 - 1.8/10791=4, ~10784=2, ~10787=1 HB3 LEU 123 - QB ALA 29 lone 4 48 - 9 - 3.9/752=4, ~11573=2, 3.2/11421=2 HB3 LYS 31 - QB ALA 29 lone 2 73 - 3 - HB2 ARG 84 - QB ALA 28 lone 1 75 - 2 - HB3 LYS 31 - QB ALA 28 lone 1 57 - 2 - HB3 LYS 31 - QB ALA 108 lone 1 24 - 5 - HB3 LYS 19 - QB ALA 29 lone 1 73 - 1 - HB3 LYS 31 - QB ALA 110 lone 1 40 - 2 - HB3 LEU 123 - QB ALA 28 lone 1 36 - 2 - 3.9/752=1 HB2 LYS 86 - QB ALA 28 lone 1 50 - 1 - HB3 LYS 19 - QB ALA 15 lone 1 56 - 1 - HB2 ARG 84 - QB ALA 29 lone 0 92 - 1 - HB3 LYS 19 - QB ALA 28 lone 0 57 - 1 - HB3 LEU 123 - QB ALA 110 lone 0 24 - 1 - HB2 LYS 86 - QB ALA 15 lone 0 49 - 1 - HB2 ARG 84 - QB ALA 15 lone 0 73 - 0 - HB3 LYS 19 - QB ALA 110 lone 0 40 - 1 - HB3 LEU 123 - QB ALA 15 lone 0 35 - 1 - HB2 LYS 86 - QB ALA 110 lone 0 35 - 1 - HB3 LYS 19 - QB ALA 108 lone 0 24 - 1 - HB2 ARG 84 - QB ALA 110 lone 0 53 - 0 - HB3 LEU 123 - QB ALA 108 lone 0 14 - 1 - HB2 ARG 84 - QB ALA 108 lone 0 33 - 0 - HB2 LYS 86 - QB ALA 108 lone 0 21 - 0 - Peak 10791 from cnoeabs.peaks (1.95, 1.38, 19.08 ppm; 3.29 A): 3 out of 25 assignments used, quality = 0.64: HB2 GLU 30 + QB ALA 29 OK 51 87 - 59 - 4.0/752=11, 3.0/10792=11...(13) HB2 GLU 30 + QB ALA 28 OK 17 70 - 25 - 10787/3.7=7, 4.0/752=4...(8) HB3 LYS 86 + QB ALA 29 OK 13 92 - 14 - 1.8/10790=6, 10784/2.1=3...(5) HB3 ARG 90 - QB ALA 29 lone 8 100 - 8 - 10784/2.1=2, 6318/3.7=2...(4) HB2 PRO 58 - QB ALA 29 lone 5 100 - 5 - 755/4.9=1, 10784/2.1=1 HB3 LYS 86 - QB ALA 28 lone 3 75 - 4 - 10787/3.7=2 HB2 GLU 30 - QB ALA 15 lone 2 68 - 3 - HB3 ARG 90 - QB ALA 28 lone 2 86 - 2 - HB2 PRO 58 - QB ALA 28 lone 1 86 - 2 - HB2 GLU 30 - QB ALA 110 lone 1 49 - 2 - HB2 GLU 30 - QB ALA 108 lone 1 30 - 3 - HB3 PRO 81 - QB ALA 29 lone 1 92 - 1 - HB3 LYS 86 - QB ALA 15 lone 1 73 - 1 - HB2 PRO 58 - QB ALA 15 lone 0 85 - 1 - HB3 ARG 90 - QB ALA 15 lone 0 85 - 1 - HB3 PRO 81 - QB ALA 28 lone 0 75 - 0 - HB3 LYS 86 - QB ALA 110 lone 0 53 - 1 - HB2 PRO 58 - QB ALA 110 lone 0 63 - 1 - HB2 PRO 58 - QB ALA 108 lone 0 40 - 1 - HB3 PRO 81 - QB ALA 15 lone 0 73 - 0 - HB3 ARG 90 - QB ALA 110 lone 0 63 - 0 - HB3 PRO 81 - QB ALA 110 lone 0 53 - 0 - HB3 ARG 90 - QB ALA 108 lone 0 40 - 0 - HB3 LYS 86 - QB ALA 108 lone 0 33 - 1 - HB3 PRO 81 - QB ALA 108 lone 0 33 - 0 - Peak 10792 from cnoeabs.peaks (2.33, 1.38, 19.08 ppm; 3.34 A): 4 out of 25 assignments used, quality = 0.71: HG3 GLU 30 + QB ALA 29 OK 56 100 - 56 - 3.0/10791=12, 781/3.7=11...(12) HG3 GLU 30 + QB ALA 28 OK 16 87 - 18 - 3.0/10791=4, 10800/4.7=4...(7) HB VAL 77 + QB ALA 29 OK 12 98 - 12 - ~10779=6, 10786/2.1=2...(4) HG2 GLU 44 + QB ALA 28 OK 11 70 - 16 - 10948=5, 1417/2.9=3...(6) HG2 GLU 44 - QB ALA 29 lone 8 87 - 10 - 10948/4.7=3, 10948=3...(4) HB3 GLN 134 - QB ALA 29 lone 8 99 - 8 - 6321/3.7=3, 758/4.9=3 HB VAL 77 - QB ALA 28 lone 5 83 - 6 - ~10772=4 HG3 GLU 30 - QB ALA 15 lone 2 85 - 3 - HG3 GLN 68 - QB ALA 110 lone 2 40 - 6 - 3.7/11040=2 HB3 GLN 134 - QB ALA 28 lone 2 85 - 2 - HG3 GLU 30 - QB ALA 110 lone 1 64 - 2 - HG3 GLN 68 - QB ALA 29 lone 1 73 - 2 - HG3 GLU 30 - QB ALA 108 lone 1 40 - 3 - HG3 GLN 68 - QB ALA 15 lone 1 56 - 1 - HG2 GLU 44 - QB ALA 15 lone 1 68 - 1 - HB3 GLN 134 - QB ALA 15 lone 1 83 - 1 - HG3 GLN 68 - QB ALA 28 lone 0 57 - 1 - HB VAL 77 - QB ALA 15 lone 0 81 - 1 - HG2 GLU 44 - QB ALA 110 lone 0 49 - 1 - HB3 GLN 134 - QB ALA 110 lone 0 62 - 1 - HB VAL 77 - QB ALA 110 lone 0 60 - 0 - HG2 GLU 44 - QB ALA 108 lone 0 30 - 1 - HB3 GLN 134 - QB ALA 108 lone 0 39 - 1 - HG3 GLN 68 - QB ALA 108 lone 0 24 - 1 - HB VAL 77 - QB ALA 108 lone 0 37 - 0 - Peak 10796 from cnoeabs.peaks (1.38, 4.22, 56.42 ppm; 3.83 A): 4 out of 15 assignments used, quality = 0.94: QB ALA 29 + HA GLU 30 OK 88 100 - 88 - 4.9=48, 752/3.0=21...(15) QB ALA 28 + HA GLU 30 OK 30 99 - 30 - 752/3.0=8, 3.7/6310=7...(8) HG3 LYS 31 + HA GLU 30 OK 14 65 - 22 - 5.0/759=14, 10797/3.0=3...(5) HG3 LYS 95 + HA GLU 30 OK 11 96 - 11 - 10797/3.0=2, 10798/3.0=2...(6) HG2 LYS 95 - HA GLU 30 poor 10 87 - 11 - 10797/3.0=2, 6334/3.6=2...(6) HG3 LYS 26 - HA GLU 30 lone 7 100 - 7 - 6334/3.6=3, 10797/3.0=1 QB ALA 15 - HA GLU 30 lone 5 100 - 5 - 6334/3.6=1 HB2 LEU 96 - HA GLU 30 lone 4 100 - 4 - QB ALA 108 - HA GLU 30 lone 4 98 - 4 - QB ALA 109 - HA GLU 30 lone 3 81 - 4 - HG2 LYS 36 - HA GLU 30 lone 3 100 - 3 - QB ALA 110 - HA GLU 30 lone 2 100 - 2 - HB3 LEU 100 - HA GLU 30 lone 2 99 - 2 - HG2 LYS 24 - HA GLU 30 lone 2 99 - 2 - HB2 LEU 42 - HA GLU 30 lone 1 98 - 1 - Peak 10797 from cnoeabs.peaks (1.38, 1.96, 29.50 ppm; 4.13 A): 5 out of 15 assignments used, quality = 0.93: QB ALA 29 + HB2 GLU 30 OK 76 96 - 79 - 3.7/760=19, 10791=16...(13) QB ALA 28 + HB2 GLU 30 OK 41 100 - 41 - 3.7/10787=13...(9) HG3 LYS 31 + HB2 GLU 30 OK 25 87 - 28 - 5.0/6326=15, 10798/1.8=5...(5) HG3 LYS 95 + HB2 GLU 30 OK 18 100 - 18 - ~10799=4, 10798/1.8=3...(8) HG2 LYS 95 + HB2 GLU 30 OK 15 98 - 16 - 10798/1.8=3, ~10798=2...(8) HG3 LYS 26 - HB2 GLU 30 lone 9 98 - 9 - 6334/4.6=3, 10798/1.8=1...(4) HB2 LEU 96 - HB2 GLU 30 lone 6 96 - 6 - ~10799=2 QB ALA 15 - HB2 GLU 30 lone 6 99 - 6 - 6334/4.6=1 QB ALA 109 - HB2 GLU 30 lone 6 96 - 6 - 10798/1.8=1, 6334/4.6=1 QB ALA 108 - HB2 GLU 30 lone 5 100 - 5 - 6334/4.6=1 HG2 LYS 36 - HB2 GLU 30 lone 4 96 - 4 - QB ALA 110 - HB2 GLU 30 lone 3 99 - 3 - HG2 LYS 24 - HB2 GLU 30 lone 2 92 - 2 - HB3 LEU 100 - HB2 GLU 30 lone 2 92 - 2 - HB2 LEU 42 - HB2 GLU 30 lone 1 87 - 1 - Peak 10798 from cnoeabs.peaks (1.39, 2.02, 29.50 ppm; 4.63 A): 5 out of 15 assignments used, quality = 0.90: QB ALA 29 + HB3 GLU 30 OK 66 81 - 82 - 3.7/767=24, 2.1/768=16...(12) HG3 LYS 31 + HB3 GLU 30 OK 36 98 - 37 - 5.0/773=17, 10799/3.0=9...(6) QB ALA 28 + HB3 GLU 30 OK 25 96 - 26 - 10797/1.8=8, 6316/4.0=5...(7) HG3 LYS 95 + HB3 GLU 30 OK 22 99 - 22 - ~10799=5, 10797/1.8=4...(8) HG2 LYS 95 + HB3 GLU 30 OK 21 100 - 21 - 10799/3.0=4, 10797/1.8=3...(8) HG3 LYS 26 - HB3 GLU 30 poor 10 87 - 11 - 6334/4.6=5, 10797/1.8=2...(4) QB ALA 109 - HB3 GLU 30 lone 8 100 - 8 - 6334/4.6=1, 10799/3.0=1...(4) QB ALA 108 - HB3 GLU 30 lone 6 98 - 6 - 6334/4.6=2, 10797/1.8=1 HB2 LEU 96 - HB3 GLU 30 lone 6 81 - 7 - ~10799=3, 10797/1.8=1 QB ALA 15 - HB3 GLU 30 lone 6 92 - 6 - 6334/4.6=2, 10797/1.8=1 HG2 LYS 36 - HB3 GLU 30 lone 4 81 - 4 - 10800/3.0=1 QB ALA 110 - HB3 GLU 30 lone 3 92 - 3 - HB3 LEU 100 - HB3 GLU 30 lone 2 73 - 3 - HG2 LYS 24 - HB3 GLU 30 lone 2 73 - 2 - HB2 LEU 42 - HB3 GLU 30 lone 1 65 - 2 - Peak 10799 from cnoeabs.peaks (1.40, 2.29, 35.22 ppm; 4.23 A): 0 out of 5 assignments used, low quality = 0.20: HG3 LYS 31 - HG2 GLU 30 OK 20 92 - 22 - 5.0/6328=16, 10800/1.8=3 HG2 LYS 95 - HG2 GLU 30 poor 8 73 - 12 - ~10800=2, 6334/4.9=2...(6) HG LEU 96 - HG2 GLU 30 lone 7 99 - 7 - 11825/11670=4 QB ALA 109 - HG2 GLU 30 lone 3 81 - 4 - 6334/4.9=1 QB ALA 16 - HG2 GLU 30 lone 0 65 - 1 - Peak 10800 from cnoeabs.peaks (1.39, 2.33, 35.22 ppm; 4.31 A): 5 out of 15 assignments used, quality = 0.87: QB ALA 29 + HG3 GLU 30 OK 61 81 - 75 - 3.7/781=18, 2.1/782=15...(12) HG3 LYS 31 + HG3 GLU 30 OK 31 98 - 32 - 5.0/787=14, 10799/1.8=11...(5) QB ALA 28 + HG3 GLU 30 OK 29 96 - 31 - 4.7/10792=11...(9) HG3 LYS 95 + HG3 GLU 30 OK 18 99 - 18 - ~10799=6, 10798/3.0=3...(7) HG2 LYS 95 + HG3 GLU 30 OK 16 100 - 16 - 10799/1.8=4, 10798/3.0=3...(7) HG3 LYS 26 - HG3 GLU 30 lone 7 87 - 9 - 6334/4.9=4, 10797/3.0=1 QB ALA 109 - HG3 GLU 30 lone 7 100 - 7 - 10799/1.8=2, 6334/4.9=1 HG2 LYS 36 - HG3 GLU 30 lone 7 81 - 8 - 10900/10801=5 HB2 LEU 96 - HG3 GLU 30 lone 6 81 - 7 - ~10799=4 QB ALA 108 - HG3 GLU 30 lone 5 98 - 5 - 6334/4.9=1 QB ALA 15 - HG3 GLU 30 lone 5 92 - 5 - 6334/4.9=2 QB ALA 110 - HG3 GLU 30 lone 3 92 - 3 - HB3 LEU 100 - HG3 GLU 30 lone 2 73 - 2 - HG2 LYS 24 - HG3 GLU 30 lone 1 73 - 2 - HB2 LEU 42 - HG3 GLU 30 lone 1 65 - 2 - Peak 10801 from cnoeabs.peaks (0.88, 2.33, 35.22 ppm; 5.18 A): 0 out of 2 assignments used, low quality = 0.40: QD2 LEU 123 - HG3 GLU 30 OK 40 98 - 41 - 11582=23, 3944/5.1=12 QD2 LEU 98 - HG3 GLU 30 lone 2 92 - 3 - Peak 10804 from cnoeabs.peaks (0.77, 2.96, 41.80 ppm; 3.55 A): 5 out of 24 assignments used, quality = 0.65: QD1 ILE 32 + HE2 LYS 31 OK 27 81 - 33 - ~10757=4, ~10840=4...(13) QD1 ILE 32 + HE3 LYS 31 OK 21 64 - 33 - 3.0/10757=5, 9008=3...(11) QD1 ILE 32 + HE3 LYS 26 OK 17 64 - 26 - 3.0/10757=4, ~10757=3...(9) QD1 ILE 32 + HE2 LYS 26 OK 17 64 - 26 - 3.0/10757=4, ~10757=3...(9) QD1 ILE 32 + HE3 LYS 19 OK 14 81 - 17 - 932/3.8=2, 3.0/10757=2...(7) QD1 ILE 32 - HE3 LYS 36 poor 10 64 - 16 - ~10837=3, ~10842=2...(5) QD1 LEU 96 - HE2 LYS 31 lone 7 99 - 7 - 3103/3.7=3, ~11694=2 QD1 LEU 96 - HE3 LYS 31 lone 6 85 - 8 - 3103/3.7=3, ~11694=2 QD1 ILE 32 - HE3 LYS 24 lone 6 64 - 9 - 932/4.0=1 QD1 ILE 37 - HE3 LYS 36 poor 5 50 - 11 - 3.0/10705=4, 10918/3.0=2...(4) QD1 LEU 96 - HE3 LYS 36 lone 3 85 - 4 - 11678/10571=1 QD1 LEU 96 - HE3 LYS 24 lone 3 85 - 3 - QD1 ILE 37 - HE2 LYS 31 lone 3 65 - 4 - 3.0/10705=1 QD1 LEU 96 - HE3 LYS 26 lone 3 85 - 3 - QD1 LEU 96 - HE2 LYS 26 lone 3 85 - 3 - QD1 ILE 37 - HE3 LYS 31 lone 2 50 - 4 - 3.0/10705=1 QD1 LEU 96 - HE3 LYS 19 lone 1 99 - 1 - QD1 ILE 37 - HE2 LYS 26 lone 1 50 - 2 - QD1 ILE 37 - HE3 LYS 26 lone 1 50 - 2 - QD1 ILE 37 - HE3 LYS 24 lone 1 50 - 2 - QD1 ILE 37 - HE3 LYS 19 lone 1 65 - 1 - QD1 LEU 96 - HE3 LYS 86 lone 1 56 - 1 - QD1 ILE 37 - HE3 LYS 86 lone 0 31 - 1 - QD1 ILE 32 - HE3 LYS 86 lone 0 39 - 1 - Peak 10808 from cnoeabs.peaks (8.41, 4.11, 61.16 ppm; 4.59 A): 0 out of 2 assignments used, low quality = 0.33: H SER 74 - HA ILE 32 OK 33 99 - 34 - 4.4/10824=15...(5) H MET 11 - HA ILE 32 lone 3 96 - 3 - 10647/10831=2 Peak 10810 from cnoeabs.peaks (8.43, 1.82, 38.56 ppm; 5.59 A): 2 out of 3 assignments used, quality = 0.89: H ALA 34 + HB ILE 32 OK 87 100 - 87 - 10811/2.1=37...(12) H VAL 93 + HB ILE 32 OK 20 99 - 20 - 10811/2.1=8, 6369/4.4=5...(4) H ASN 13 - HB ILE 32 lone 8 96 - 8 - 10811/2.1=3, 6369/4.4=2 Peak 10811 from cnoeabs.peaks (8.43, 0.85, 17.13 ppm; 4.44 A): 2 out of 3 assignments used, quality = 0.73: H ALA 34 + QG2 ILE 32 OK 68 100 - 69 - 6369/4.4=26...(10) H VAL 93 + QG2 ILE 32 OK 14 99 - 14 - 10810/2.1=4, 6369/4.4=4...(5) H ASN 13 - QG2 ILE 32 lone 5 96 - 5 - 10810/2.1=2, 6369/4.4=2 Peak 10812 from cnoeabs.peaks (8.45, 0.78, 12.54 ppm; 4.98 A): 0 out of 3 assignments used, low quality = 0.28: H ASP 47 - QD1 ILE 32 OK 28 81 - 35 - 3.7/9176=17, 4.3/9166=12...(4) H ALA 12 - QD1 ILE 32 lone 3 87 - 3 - 11120/10848=2 H ASN 116 - QD1 ILE 32 lone 3 96 - 3 - Peak 10813 from cnoeabs.peaks (4.53, 0.78, 12.10 ppm; 5.41 A): 2 out of 2 assignments used, quality = 0.76: HA SER 38 + QD1 ILE 37 OK 64 65 - 98 - 9015/3.0=42, 9012/4.9=31...(23) HA ASP 35 + QD1 ILE 37 OK 31 73 - 42 - 9014/3.2=23, 9013/4.2=20 Peak 10814 from cnoeabs.peaks (4.24, 1.44, 27.21 ppm; 4.53 A): 3 out of 5 assignments used, quality = 0.58: HA ALA 29 + HG13 ILE 32 OK 40 81 - 50 - 10817/3.2=19...(6) HA SER 94 + HG13 ILE 32 OK 20 98 - 20 - 10817/3.2=9, 10818/2.9=3...(6) HA GLN 27 + HG13 ILE 32 OK 12 73 - 16 - 3.7/10765=9, 3.0/6264=4...(4) HA ALA 28 - HG13 ILE 32 lone 7 99 - 7 - 10817/3.2=3 HA SER 124 - HG13 ILE 32 lone 3 92 - 3 - Peak 10815 from cnoeabs.peaks (4.23, 1.16, 27.21 ppm; 4.69 A): 4 out of 8 assignments used, quality = 0.96: HA ALA 29 + HG12 ILE 32 OK 62 99 - 63 - 10780/2.1=22...(8) HA ALA 34 + HG12 ILE 32 OK 61 99 - 61 - 10873/2.1=17, ~10811=13...(11) HA GLU 30 + HG12 ILE 32 OK 49 100 - 49 - 3.6/918=11, 3.0/10843=9...(8) HB3 SER 38 + HG12 ILE 32 OK 41 96 - 43 - 1.8/9043=18, 9042=10...(9) HA SER 51 - HG12 ILE 32 OK 22 57 - 39 - ~9220=18, ~10962=12...(4) HA SER 94 - HG12 ILE 32 OK 19 87 - 22 - 10818/2.9=4, 10814/1.8=4...(6) HA SER 99 - HG12 ILE 32 lone 4 65 - 6 - ~7380=1 HA HIS 67 - HG12 ILE 32 lone 4 65 - 6 - ~9468=1 Peak 10816 from cnoeabs.peaks (4.27, 1.16, 27.21 ppm; 4.84 A): 4 out of 11 assignments used, quality = 0.97: HA LYS 31 + HG12 ILE 32 OK 79 98 - 81 - 3.6/6354=30, 3.0/918=13...(22) HA LYS 26 + HG12 ILE 32 OK 49 92 - 53 - 10753/2.1=11...(15) HA LYS 36 + HG12 ILE 32 OK 45 100 - 45 - ~10892=14, 3.6/10904=9...(12) HA LYS 19 + HG12 ILE 32 OK 40 81 - 50 - 10753/2.1=9, 3.0/10738=8...(17) HA LEU 22 - HG12 ILE 32 lone 7 98 - 7 - 2.9/911=1, 368/5.2=1 HA PHE 87 - HG12 ILE 32 lone 4 65 - 6 - 7206/9894=3, 2804/10843=2 HA GLN 61 - HG12 ILE 32 lone 4 81 - 5 - 6803/9396=3 HB THR 115 - HG12 ILE 32 lone 3 100 - 3 - HA ALA 109 - HG12 ILE 32 lone 2 98 - 2 - HA ALA 108 - HG12 ILE 32 lone 2 98 - 2 - HA ALA 16 - HG12 ILE 32 lone 2 99 - 2 - Peak 10817 from cnoeabs.peaks (4.24, 0.85, 17.13 ppm; 4.13 A): 2 out of 5 assignments used, quality = 0.52: HA ALA 29 + QG2 ILE 32 OK 41 81 - 51 - 10814/3.2=13, 10781=11...(7) HA SER 94 + QG2 ILE 32 OK 20 98 - 20 - 10814/3.2=6, 10818/2.1=3...(5) HA ALA 28 - QG2 ILE 32 lone 6 99 - 5 - 10814/3.2=2 HA GLN 27 - QG2 ILE 32 lone 5 73 - 7 - 10814/3.2=4, ~6264=2, ~6263=1 HA SER 124 - QG2 ILE 32 lone 2 92 - 2 - Peak 10818 from cnoeabs.peaks (4.23, 1.82, 38.56 ppm; 3.77 A): 5 out of 6 assignments used, quality = 0.89: HA ALA 29 + HB ILE 32 OK 56 100 - 56 - 10783=19, 10780/3.2=13...(8) HA ALA 34 + HB ILE 32 OK 41 92 - 44 - 3.0/10810=11, ~10811=11...(9) HA GLU 30 + HB ILE 32 OK 36 96 - 38 - 3.6/902=8, 10819/4.0=8...(8) HA SER 94 + HB ILE 32 OK 19 98 - 19 - 10817/2.1=6, 10814/2.9=4...(6) HB3 SER 38 + HB ILE 32 OK 15 81 - 18 - ~9043=7, 9042/2.9=5...(5) HA ALA 28 - HB ILE 32 lone 4 73 - 5 - 10817/2.1=2, 10814/2.9=1 Peak 10820 from cnoeabs.peaks (4.23, 4.11, 61.16 ppm; 4.02 A): 5 out of 6 assignments used, quality = 0.88: HA ALA 29 + HA ILE 32 OK 52 100 - 52 - 10819/3.0=14...(8) HA GLU 30 + HA ILE 32 OK 41 96 - 43 - 10819/3.0=12, 3.6/894=11...(8) HA ALA 34 + HA ILE 32 OK 40 92 - 43 - ~10811=9, ~10810=8...(8) HA SER 94 + HA ILE 32 OK 20 98 - 20 - 10817/3.2=5, 10819/3.0=4...(6) HB3 SER 38 + HA ILE 32 OK 11 81 - 13 - 9042/4.1=4, 9007/4.2=3...(4) HA ALA 28 - HA ILE 32 lone 5 73 - 7 - 10817/3.2=2, 10814/4.1=1 Peak 10821 from cnoeabs.peaks (4.39, 4.11, 61.16 ppm; 4.42 A): 3 out of 6 assignments used, quality = 0.94: HA SER 33 + HA ILE 32 OK 82 92 - 89 - 3.0/6360=35, 10857=25...(14) HA SER 107 + HA ILE 32 OK 43 96 - 45 - 10828/3.2=12...(9) HA CYS 73 + HA ILE 32 OK 40 81 - 50 - 3.6/10808=25...(6) HA ASP 78 - HA ILE 32 OK 15 73 - 20 - 3.0/10824=10, 2.9/9687=4...(5) HA SER 9 - HA ILE 32 OK 11 99 - 11 - 6366/3.6=4, 10857=3, 10851/3.2=2 HA THR 115 - HA ILE 32 lone 1 65 - 2 - Peak 10822 from cnoeabs.peaks (3.87, 4.11, 61.16 ppm; 4.60 A): 0 out of 1 assignment used, low quality = 0.22: HA LEU 70 - HA ILE 32 OK 22 57 - 38 - 4.0/890=9, 3.6/887=8...(11) Peak 10823 from cnoeabs.peaks (2.66, 4.11, 61.16 ppm; 4.26 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10824 from cnoeabs.peaks (2.74, 4.11, 61.16 ppm; 4.65 A): 0 out of 3 assignments used, low quality = 0.30: HB2 CYS 73 - HA ILE 32 OK 22 65 - 33 - 4.4/10808=23...(3) HB3 ASP 78 - HA ILE 32 OK 11 100 - 11 - 4.1/9687=4, 3.0/10821=3...(4) HB2 CYS 125 - HA ILE 32 lone 2 98 - 2 - Peak 10825 from cnoeabs.peaks (2.96, 1.82, 38.56 ppm; 5.54 A): 6 out of 8 assignments used, quality = 0.94: HE2 LYS 31 + HB ILE 32 OK 48 73 - 65 - ~10840=12, ~10757=12...(20) HE2 LYS 36 + HB ILE 32 OK 45 100 - 45 - ~10837=9, ~10842=5...(16) HE2 LYS 19 + HB ILE 32 OK 41 99 - 41 - 3.8/900=7, 10903/3.2=5...(17) HE3 LYS 36 + HB ILE 32 OK 40 92 - 44 - ~10837=9, ~10842=5...(14) HE2 LYS 24 + HB ILE 32 OK 24 100 - 24 - 4.0/900=4, ~10903=3...(7) HE3 LYS 19 + HB ILE 32 OK 24 73 - 33 - 3.8/900=7, ~10903=4...(16) HE3 LYS 24 - HB ILE 32 OK 20 92 - 22 - 4.0/900=4, 10903/3.2=3...(5) HE3 LYS 86 - HB ILE 32 lone 3 98 - 3 - Peak 10827 from cnoeabs.peaks (4.31, 0.78, 12.54 ppm; 4.64 A): 2 out of 3 assignments used, quality = 0.77: HA TYR 76 + QD1 ILE 32 OK 54 100 - 54 - 3.0/10846=33...(6) HA2 GLY 75 + QD1 ILE 32 OK 49 87 - 57 - 4.9/10846=23...(6) HA ASP 131 - QD1 ILE 32 lone 4 96 - 4 - Peak 10828 from cnoeabs.peaks (4.38, 0.85, 17.13 ppm; 4.48 A): 3 out of 4 assignments used, quality = 0.67: HA SER 107 + QG2 ILE 32 OK 51 99 - 51 - 10115/3.0=13, ~10107=10...(11) HA CYS 73 + QG2 ILE 32 OK 27 100 - 27 - ~10824=9, 9569/3.0=7...(5) HA ASP 78 + QG2 ILE 32 OK 10 99 - 10 - ~10824=5, ~9687=2, 10821/3.2=2 HA SER 9 - QG2 ILE 32 lone 4 73 - 6 - 6366/4.4=2, 10821/3.2=1 Peak 10831 from cnoeabs.peaks (1.36, 4.11, 61.16 ppm; 5.41 A): 1 out of 2 assignments used, quality = 0.58: HG2 LYS 19 + HA ILE 32 OK 58 100 - 58 - 1.8/892=8, ~6345=7...(17) QB ALA 12 - HA ILE 32 lone 2 87 - 2 - Peak 10832 from cnoeabs.peaks (1.67, 4.11, 61.16 ppm; 4.79 A): 4 out of 12 assignments used, quality = 0.94: HD2 LYS 31 + HA ILE 32 OK 65 81 - 81 - 2.9/892=11, ~809=9...(28) HD3 LYS 31 + HA ILE 32 OK 59 73 - 81 - 2.9/892=11, ~809=9...(28) HD3 LYS 36 + HA ILE 32 OK 38 99 - 38 - 10837/3.2=8, ~10837=7...(12) HD2 LYS 36 + HA ILE 32 OK 38 99 - 38 - 10837/3.2=8, ~10837=7...(12) HD2 LYS 26 - HA ILE 32 OK 30 73 - 41 - 2.9/892=5, 3.5/889=4...(16) HD2 LYS 24 - HA ILE 32 OK 24 81 - 30 - 3.0/892=4, 3.5/889=3...(11) HD3 LYS 24 - HA ILE 32 OK 22 73 - 30 - 3.0/892=4, 3.5/889=3...(11) HB2 LEU 69 - HA ILE 32 lone 10 100 - 10 - 10837/3.2=3, 10855/3.6=2 HD3 LYS 95 - HA ILE 32 lone 6 65 - 10 - ~6346=3, 6347/3.0=2...(4) QB ALA 88 - HA ILE 32 lone 4 81 - 5 - 10860/10859=1, 11293=1 HD2 LYS 86 - HA ILE 32 lone 2 65 - 3 - HD3 LYS 86 - HA ILE 32 lone 2 65 - 3 - Peak 10833 from cnoeabs.peaks (1.68, 1.82, 38.56 ppm; 4.66 A): 1 out of 1 assignment used, quality = 0.65: HD2 LYS 39 + HB ILE 32 OK 65 99 - 66 - 1198/2.9=15...(12) Peak 10834 from cnoeabs.peaks (2.02, 1.82, 38.56 ppm; 5.92 A): 4 out of 7 assignments used, quality = 0.87: HB3 GLU 30 + HB ILE 32 OK 60 100 - 60 - 10830/4.0=17, 4.6/902=14...(9) HG2 ARG 90 + HB ILE 32 OK 50 99 - 51 - 11845/2.9=26, ~10845=14...(4) HB VAL 63 + HB ILE 32 OK 29 100 - 28 - 10830/4.0=5, ~917=4...(9) HB2 GLN 134 + HB ILE 32 OK 10 100 - 10 - 10830/4.0=4, 4.4/7982=3 HG2 PRO 58 - HB ILE 32 lone 7 87 - 8 - ~10843=2, ~10845=2, 10830/4.0=1 HB2 GLU 44 - HB ILE 32 lone 6 98 - 6 - 10830/4.0=2, ~10949=1 HB3 MET 11 - HB ILE 32 lone 4 99 - 4 - Peak 10837 from cnoeabs.peaks (1.67, 0.85, 17.13 ppm; 3.51 A): 4 out of 4 assignments used, quality = 0.77: HD2 LYS 39 + QG2 ILE 32 OK 46 96 - 48 - 10833/2.1=15, 3.0/907=9...(12) HD3 LYS 36 + QG2 ILE 32 OK 30 96 - 31 - 6.1/10892=6, 10855/4.4=4...(14) HD2 LYS 36 + QG2 ILE 32 OK 30 96 - 31 - 6.1/10892=6, 10855/4.4=4...(14) HB2 LEU 69 + QG2 ILE 32 OK 13 92 - 14 - 4.4/6951=4, ~11061=2...(6) Peak 10840 from cnoeabs.peaks (2.97, 0.85, 17.13 ppm; 3.94 A): 5 out of 6 assignments used, quality = 0.84: HE3 LYS 31 + QG2 ILE 32 OK 43 87 - 50 - 10757=9, 1.8/10757=7...(16) HE3 LYS 26 + QG2 ILE 32 OK 31 87 - 35 - 1.8/10757=7, 10757=6...(10) HE2 LYS 26 + QG2 ILE 32 OK 31 87 - 35 - 1.8/10757=7, 10757=6...(10) HE2 LYS 31 + QG2 ILE 32 OK 30 65 - 46 - 1.8/10757=10, 3.7/908=6...(11) HE3 LYS 19 + QG2 ILE 32 OK 15 65 - 23 - 3.8/908=4, 10757=3...(7) HB3 ASN 121 - QG2 ILE 32 lone 1 100 - 1 - Peak 10842 from cnoeabs.peaks (1.68, 1.16, 27.21 ppm; 4.78 A): 4 out of 4 assignments used, quality = 0.95: HD2 LYS 39 + HG12 ILE 32 OK 83 100 - 83 - 10833/2.9=33...(18) HD3 LYS 36 + HG12 ILE 32 OK 37 81 - 46 - 10837/3.2=10, ~10837=7...(16) HD2 LYS 36 + HG12 ILE 32 OK 37 81 - 46 - 10837/3.2=10, ~10837=7...(16) HB2 LEU 69 + HG12 ILE 32 OK 18 73 - 24 - ~11061=7, ~11059=5...(4) Peak 10843 from cnoeabs.peaks (1.95, 1.16, 27.21 ppm; 5.23 A): 3 out of 5 assignments used, quality = 0.77: HB3 ARG 90 + HG12 ILE 32 OK 56 99 - 56 - 3.8/9894=19...(6) HB2 GLU 30 + HG12 ILE 32 OK 38 98 - 39 - 4.6/918=11, ~10834=8...(9) HB3 LYS 86 + HG12 ILE 32 OK 14 99 - 14 - 1.8/9824=4, 3.0/11286=4...(4) HB2 PRO 58 - HG12 ILE 32 lone 8 96 - 9 - 2817/11845=2...(3) HB3 PRO 81 - HG12 ILE 32 lone 2 73 - 2 - Peak 10844 from cnoeabs.peaks (2.38, 1.16, 27.21 ppm; 5.89 A): 0 out of 2 assignments used, low quality = 0.41: HG2 GLU 128 - HG12 ILE 32 OK 28 92 - 30 - ~10447=12, ~11626=9...(4) HG2 GLN 104 - HG12 ILE 32 OK 18 99 - 18 - 11441/2.1=6, ~11436=3...(5) Peak 10845 from cnoeabs.peaks (1.94, 1.44, 27.21 ppm; 4.94 A): 3 out of 6 assignments used, quality = 0.47: HB3 ARG 90 + HG13 ILE 32 OK 33 65 - 50 - ~11845=16, ~9898=12...(8) HB3 LYS 95 + HG13 ILE 32 OK 12 99 - 12 - 10829/5.2=9, 9221/9220=2 HB2 LYS 95 + HG13 ILE 32 OK 11 92 - 12 - 10829/5.2=9, 9221/9220=2 HG LEU 53 - HG13 ILE 32 lone 4 87 - 5 - 9221/9220=3, 10829/5.2=1 HB3 PRO 81 - HG13 ILE 32 lone 4 98 - 4 - 9221/9220=2 HB2 PRO 58 - HG13 ILE 32 lone 3 81 - 4 - Peak 10846 from cnoeabs.peaks (2.76, 0.78, 12.54 ppm; 4.47 A): 0 out of 2 assignments used, low quality = 0.42: HB2 TYR 76 - QD1 ILE 32 OK 42 98 - 43 - 3.0/10827=15...(5) HB3 ASN 13 - QD1 ILE 32 lone 1 65 - 1 - Peak 10847 from cnoeabs.peaks (3.14, 0.78, 12.54 ppm; 6.29 A): 2 out of 3 assignments used, quality = 0.70: HB3 TYR 76 + QD1 ILE 32 OK 55 73 - 74 - 1.8/10846=49...(5) HB3 CYS 45 + QD1 ILE 32 OK 33 81 - 42 - 4.5/9176=20, 4.4/9166=17...(7) HB2 HIS 8 - QD1 ILE 32 lone 4 96 - 4 - Peak 10848 from cnoeabs.peaks (2.63, 0.78, 12.54 ppm; 5.00 A): 0 out of 2 assignments used, low quality = 0.14: HB2 ASP 71 - QD1 ILE 32 OK 14 100 - 14 - 4.0/927=8, 2285/4.8=4 HB2 ASN 59 - QD1 ILE 32 lone 7 73 - 9 - 1.8/9363=4, 9355=2 Peak 10849 from cnoeabs.peaks (2.49, 0.78, 12.54 ppm; 5.25 A): 0 out of 1 assignment used, low quality = 0.00: HG3 GLN 127 - QD1 ILE 32 lone 3 92 - 3 - Peak 10850 from cnoeabs.peaks (1.81, 4.40, 58.29 ppm; 3.95 A): 5 out of 20 assignments used, quality = 0.90: HB ILE 32 + HA SER 33 OK 78 92 - 85 - 2.1/10851=26...(17) HB3 LYS 31 + HA SER 33 OK 40 100 - 40 - 6361/3.0=7, ~799=5...(14) HB2 LEU 100 + HA SER 9 OK 12 50 - 23 - ~3241=6, ~3220=4...(7) HB3 LYS 24 + HA SER 33 OK 10 100 - 10 - 6361/3.0=2, ~6364=1 HB3 LEU 123 + HA SER 33 OK 10 63 - 16 - 3.0/938=4, ~3920=2...(8) HB3 LYS 26 - HA SER 33 poor 10 87 - 11 - 6361/3.0=2, 10870/3.6=2...(7) HB2 LYS 36 - HA SER 33 lone 8 96 - 9 - 6361/3.0=4, 10870/3.6=2 HB3 LYS 19 - HA SER 33 lone 7 100 - 7 - 6361/3.0=2, ~6364=1 HB ILE 32 - HA SER 9 lone 6 74 - 8 - 4.4/6366=3, 2.1/10851=2 HB2 LEU 100 - HA SER 33 lone 2 65 - 3 - HB3 LYS 31 - HA SER 9 lone 2 85 - 2 - HB3 ARG 135 - HA SER 33 lone 2 92 - 2 - HB3 LYS 24 - HA SER 9 lone 1 85 - 1 - HB3 LYS 26 - HA SER 9 lone 1 69 - 1 - HB2 LYS 36 - HA SER 9 lone 1 78 - 1 - HB3 LYS 19 - HA SER 9 lone 1 85 - 1 - HB2 ARG 84 - HA SER 33 lone 1 96 - 1 - HB3 LEU 123 - HA SER 9 lone 1 48 - 1 - HB3 ARG 135 - HA SER 9 lone 0 74 - 1 - HB2 ARG 84 - HA SER 9 lone 0 78 - 1 - Peak 10851 from cnoeabs.peaks (0.85, 4.40, 58.29 ppm; 4.15 A): 2 out of 4 assignments used, quality = 0.87: QG2 ILE 32 + HA SER 33 OK 85 98 - 87 - 6362/3.0=30...(17) QD2 LEU 70 + HA SER 33 OK 14 92 - 15 - 6362/3.0=6...(5) QG2 ILE 32 - HA SER 9 lone 7 82 - 8 - 4.4/6366=3, 3.2/10857=2...(4) QD2 LEU 70 - HA SER 9 lone 1 74 - 2 - Peak 10852 from cnoeabs.peaks (1.40, 4.40, 58.29 ppm; 3.55 A): 0 out of 4 assignments used, low quality = 0.23: QB ALA 16 - HA SER 33 OK 13 99 - 14 - 10861/3.0=13 HG LEU 96 - HA SER 33 OK 11 92 - 12 - 10861/3.0=9, ~6365=2 QB ALA 16 - HA SER 9 lone 1 84 - 1 - HG LEU 96 - HA SER 9 lone 1 74 - 1 - Peak 10853 from cnoeabs.peaks (1.87, 4.40, 58.29 ppm; 4.10 A): 0 out of 4 assignments used, low quality = 0.32: HB3 LEU 123 - HA SER 33 OK 18 98 - 18 - 3.0/938=4, 3929/3.0=4...(9) HB3 LEU 119 - HA SER 33 OK 17 99 - 17 - 3.0/11556=8, ~10863=5 HB3 LEU 119 - HA SER 9 lone 3 84 - 4 - 3.9/10286=1, 3.0/11556=1 HB3 LEU 123 - HA SER 9 lone 1 82 - 2 - Peak 10854 from cnoeabs.peaks (1.66, 4.40, 58.29 ppm; 4.56 A): 6 out of 26 assignments used, quality = 0.86: HD3 LYS 31 + HA SER 33 OK 43 100 - 43 - 3.5/10850=7, ~821=5...(16) HD2 LYS 31 + HA SER 33 OK 42 100 - 43 - 3.5/10850=7, ~821=5...(16) QB ALA 88 + HA SER 33 OK 38 100 - 38 - ~10865=20, ~10864=16 HB2 LEU 98 + HA SER 33 OK 15 73 - 21 - ~10862=7, ~10859=4...(6) HD2 LYS 26 + HA SER 33 OK 10 100 - 10 - ~6364=2, 3.5/10850=2, 843/3.0=1 HD3 LYS 26 + HA SER 33 OK 10 99 - 10 - ~6364=2, 3.5/10850=2 HD2 LYS 24 - HA SER 33 lone 9 100 - 9 - 3.5/10850=2, ~6364=1 HD3 LYS 24 - HA SER 33 lone 9 100 - 9 - 3.5/10850=2, ~6364=1 HD3 LYS 86 - HA SER 33 lone 5 100 - 4 - 2674/5.0=3 HD2 LYS 86 - HA SER 33 lone 5 100 - 4 - 2674/5.0=3 HB2 LEU 69 - HA SER 33 lone 3 65 - 5 - ~10862=3, 10860/3.0=1 HB2 LEU 98 - HA SER 9 lone 3 56 - 4 - 10020/3.0=2, 3.0/10857=1 HD2 LYS 31 - HA SER 9 lone 2 85 - 2 - HD3 LYS 31 - HA SER 9 lone 2 86 - 2 - HD3 LYS 95 - HA SER 33 lone 1 100 - 1 - QB ALA 88 - HA SER 9 lone 1 85 - 1 - HD2 LYS 26 - HA SER 9 lone 1 86 - 1 - HD2 LYS 95 - HA SER 33 lone 1 87 - 1 - HD3 LYS 24 - HA SER 9 lone 1 86 - 1 - HD2 LYS 24 - HA SER 9 lone 1 85 - 1 - HD3 LYS 26 - HA SER 9 lone 1 84 - 1 - HD3 LYS 95 - HA SER 9 lone 1 85 - 1 - HD2 LYS 86 - HA SER 9 lone 1 85 - 1 - HD3 LYS 86 - HA SER 9 lone 1 85 - 1 - HD2 LYS 95 - HA SER 9 lone 1 69 - 1 - HB2 LEU 69 - HA SER 9 lone 0 50 - 1 - Peak 10856 from cnoeabs.peaks (1.82, 3.85, 63.71 ppm; 4.61 A): 5 out of 11 assignments used, quality = 0.88: HB ILE 32 + HB3 SER 33 OK 75 100 - 75 - 4.4/6368=28...(8) HB3 LYS 31 + HB3 SER 33 OK 23 81 - 29 - 6361/4.0=7, 10850/3.0=6...(8) HB3 LEU 123 + HB3 SER 33 OK 18 73 - 25 - 1.8/3920=5, 3.2/3945=4...(10) HB2 LYS 36 + HB3 SER 33 OK 13 99 - 13 - 6361/4.0=4, 10870/4.6=2...(5) HB3 LYS 26 + HB3 SER 33 OK 12 100 - 12 - 6361/4.0=3, 10870/4.6=2...(5) HB3 LYS 24 - HB3 SER 33 lone 9 92 - 10 - 6361/4.0=3, 10850/3.0=1...(5) HB3 LYS 19 - HB3 SER 33 lone 5 81 - 6 - 6361/4.0=2, 10850/3.0=1 HB VAL 93 - HB3 SER 33 lone 5 65 - 8 - 4.0/949=4, 2912/4.6=3 HB2 LEU 100 - HB3 SER 33 lone 3 98 - 3 - HB3 ARG 135 - HB3 SER 33 lone 2 100 - 2 - HB3 ARG 23 - HB3 SER 33 lone 2 96 - 2 - Peak 10857 from cnoeabs.peaks (4.11, 4.40, 58.29 ppm; 4.04 A): 2 out of 12 assignments used, quality = 0.85: HA ILE 32 + HA SER 33 OK 83 100 - 83 - 6360/3.0=33...(14) HA LEU 98 + HA SER 33 OK 14 96 - 14 - 6360/3.0=4, 10859/3.0=4...(5) HA ILE 32 - HA SER 9 lone 8 85 - 10 - 3.6/6366=3, 10821=2, 3.2/10851=2 HA LEU 49 - HA SER 33 lone 6 98 - 6 - 6360/3.0=2, 10859/3.0=2 HA GLN 101 - HA SER 33 lone 6 81 - 7 - 6360/3.0=2, 10859/3.0=2 HA LEU 49 - HA SER 9 lone 5 82 - 6 - 9195/3.0=4 HA LEU 48 - HA SER 33 lone 5 100 - 5 - 6360/3.0=2 HA LEU 98 - HA SER 9 lone 4 78 - 5 - ~7369=2, ~10020=1 HA CYS 79 - HA SER 33 lone 4 96 - 4 - 6360/3.0=1 HA GLN 101 - HA SER 9 lone 3 63 - 4 - ~7409=3 HA LEU 48 - HA SER 9 lone 1 85 - 1 - HA CYS 79 - HA SER 9 lone 1 78 - 1 - Peak 10858 from cnoeabs.peaks (4.10, 3.91, 63.71 ppm; 3.94 A): 2 out of 6 assignments used, quality = 0.53: HA ILE 32 + HB2 SER 33 OK 46 81 - 58 - 3.6/6367=28...(6) HA LEU 98 + HB2 SER 33 OK 12 96 - 13 - 10859/1.8=8, 6360/4.0=2 HA GLN 101 - HB2 SER 33 lone 6 100 - 6 - 10859/1.8=4, 6360/4.0=1 HA LEU 49 - HB2 SER 33 lone 6 92 - 6 - 10859/1.8=4, 6360/4.0=1 HA CYS 79 - HB2 SER 33 lone 3 96 - 3 - 10859/1.8=1 HA LEU 48 - HB2 SER 33 lone 3 81 - 4 - 10859/1.8=2 Peak 10859 from cnoeabs.peaks (4.10, 3.85, 63.71 ppm; 3.98 A): 3 out of 6 assignments used, quality = 0.65: HA ILE 32 + HB3 SER 33 OK 50 81 - 62 - 3.6/6368=28...(6) HA LEU 98 + HB3 SER 33 OK 23 96 - 24 - 4.0/10862=8, 10858/1.8=6...(5) HA LEU 49 + HB3 SER 33 OK 10 92 - 11 - 3.9/10863=5, 10858/1.8=3 HA GLN 101 - HB3 SER 33 lone 10 100 - 10 - 10858/1.8=3...(4) HA LEU 48 - HB3 SER 33 lone 4 81 - 5 - 10858/1.8=1 HA CYS 79 - HB3 SER 33 lone 4 96 - 4 - 10858/1.8=2 Peak 10860 from cnoeabs.peaks (1.67, 3.85, 63.71 ppm; 5.23 A): 6 out of 13 assignments used, quality = 0.82: QB ALA 88 + HB3 SER 33 OK 55 92 - 60 - ~10865=34, 2.1/10864=34 HD2 LYS 31 + HB3 SER 33 OK 25 92 - 27 - ~10854=6, 10854/3.0=6...(7) HD3 LYS 31 + HB3 SER 33 OK 23 87 - 27 - 10854/3.0=6, ~10854=6...(7) HB2 LEU 69 + HB3 SER 33 OK 12 98 - 12 - 3.0/10862=7, 10855/4.0=2 HD3 LYS 36 + HB3 SER 33 OK 11 96 - 12 - 10855/4.0=6, 3.5/10856=3 HD2 LYS 36 + HB3 SER 33 OK 11 96 - 12 - 10855/4.0=6, 3.5/10856=3 HD2 LYS 26 - HB3 SER 33 lone 8 87 - 9 - 3.5/10856=3, 10854/3.0=1 HD2 LYS 24 - HB3 SER 33 lone 7 92 - 8 - 3.5/10856=2, 10854/3.0=1 HD3 LYS 24 - HB3 SER 33 lone 7 87 - 8 - 3.5/10856=2, 10854/3.0=1 HD3 LYS 26 - HB3 SER 33 lone 6 73 - 8 - 3.5/10856=3, ~10854=1 HD3 LYS 86 - HB3 SER 33 lone 2 81 - 3 - HD2 LYS 86 - HB3 SER 33 lone 2 81 - 3 - HD3 LYS 95 - HB3 SER 33 lone 2 81 - 2 - Peak 10861 from cnoeabs.peaks (1.40, 3.85, 63.71 ppm; 4.22 A): 0 out of 2 assignments used, low quality = 0.29: QB ALA 16 - HB3 SER 33 OK 19 100 - 19 - 10852/3.0=18 HG LEU 96 - HB3 SER 33 OK 13 81 - 16 - 10852/3.0=15 Peak 10862 from cnoeabs.peaks (0.87, 3.85, 63.71 ppm; 4.84 A): 0 out of 4 assignments used, low quality = 0.12: QD1 LEU 98 - HB3 SER 33 OK 12 87 - 13 - 4.0/10859=8, 11940/4.6=1 QD2 LEU 98 - HB3 SER 33 poor 8 73 - 11 - 4.0/10859=8, ~10854=1 QD2 LEU 69 - HB3 SER 33 lone 5 100 - 5 - 3.0/10860=2 QG2 VAL 57 - HB3 SER 33 lone 3 87 - 3 - Peak 10863 from cnoeabs.peaks (0.79, 3.85, 63.71 ppm; 5.22 A): 0 out of 5 assignments used, low quality = 0.14: QD2 LEU 119 - HB3 SER 33 OK 14 65 - 21 - ~10853=10, ~11556=8 QD2 LEU 49 - HB3 SER 33 lone 9 92 - 10 - 3.9/10859=4, 11422/3945=1 QD1 LEU 53 - HB3 SER 33 lone 4 99 - 4 - QD2 LEU 122 - HB3 SER 33 lone 3 92 - 4 - QG1 VAL 63 - HB3 SER 33 lone 2 65 - 3 - Peak 10864 from cnoeabs.peaks (4.21, 3.85, 63.71 ppm; 3.93 A): 0 out of 5 assignments used, low quality = 0.00: HA ALA 88 - HB3 SER 33 poor 8 57 - 15 - 2.1/10860=7, 10865/1.8=5 HA SER 51 - HB3 SER 33 lone 1 98 - 1 - HB3 SER 38 - HB3 SER 33 lone 1 65 - 2 - HA SER 99 - HB3 SER 33 lone 1 96 - 1 - HA HIS 67 - HB3 SER 33 lone 1 96 - 1 - Peak 10865 from cnoeabs.peaks (4.20, 3.91, 63.71 ppm; 3.91 A): 0 out of 4 assignments used, low quality = 0.12: HA ALA 88 - HB2 SER 33 OK 12 99 - 12 - ~10860=5, 10864/1.8=4, ~10854=3 HB THR 25 - HB2 SER 33 lone 1 100 - 1 - HA GLU 128 - HB2 SER 33 lone 1 92 - 1 - HB THR 18 - HB2 SER 33 lone 0 73 - 1 - Peak 10866 from cnoeabs.peaks (1.67, 3.92, 63.62 ppm; 5.25 A): 0 out of 10 assignments used, low quality = 0.10: HD2 LYS 31 - HB2 SER 107 OK 10 73 - 14 - ~10104=4, ~10112=4, 6.2/3504=3 HD3 LYS 31 - HB2 SER 107 poor 9 65 - 13 - ~10104=4, ~10112=4, 6.2/3504=3 HD2 LYS 36 - HB2 SER 107 lone 6 100 - 6 - 3.5/10107=4 HD3 LYS 36 - HB2 SER 107 lone 6 100 - 6 - 3.5/10107=4 HB2 LEU 69 - HB2 SER 107 lone 5 100 - 5 - ~10105=3 HD2 LYS 39 - HB2 SER 107 lone 4 65 - 7 - ~11470=2, 10833/10107=2 HD2 LYS 24 - HB2 SER 107 lone 2 73 - 3 - 3.5/10107=1 HD2 LYS 26 - HB2 SER 107 lone 2 65 - 3 - 3.5/10107=2 HD3 LYS 24 - HB2 SER 107 lone 2 65 - 3 - 3.5/10107=1 QB ALA 88 - HB2 SER 107 lone 2 73 - 3 - 11175/10111=1 Peak 10868 from cnoeabs.peaks (8.25, 4.22, 53.50 ppm; 3.83 A): 0 out of 3 assignments used, low quality = 0.11: H ARG 23 - HA ALA 34 OK 11 96 - 12 - 4.6/10874=10 H ALA 29 - HA ALA 34 lone 8 100 - 8 - 6310=2, 383/10874=1 H LEU 123 - HA ALA 34 lone 4 57 - 7 - 3.9/11573=2, 4.7/10872=2 Peak 10869 from cnoeabs.peaks (7.98, 4.22, 53.50 ppm; 3.77 A): 2 out of 3 assignments used, quality = 0.66: H SER 38 + HA ALA 34 OK 56 96 - 58 - 6429=14, 4.2/10872=13...(11) H SER 51 + HA ALA 34 OK 23 87 - 27 - 10867/3.0=9, 10878/2.1=7...(7) H THR 18 - HA ALA 34 lone 3 92 - 4 - Peak 10871 from cnoeabs.peaks (1.28, 4.22, 53.50 ppm; 4.37 A): 1 out of 2 assignments used, quality = 0.84: HG12 ILE 37 + HA ALA 34 OK 84 100 - 84 - 10915/2.1=36...(12) HB3 LEU 43 - HA ALA 34 lone 7 81 - 9 - 1092/10872=3...(4) Peak 10872 from cnoeabs.peaks (0.93, 4.22, 53.50 ppm; 4.42 A): 3 out of 3 assignments used, quality = 0.87: QG2 ILE 37 + HA ALA 34 OK 83 100 - 83 - 3.2/10871=28, ~10908=21...(11) QD1 LEU 123 + HA ALA 34 OK 14 81 - 18 - 4.7/10868=4, 3.2/11573=4...(6) QD1 LEU 119 + HA ALA 34 OK 14 81 - 17 - 3.0/10874=10...(5) Peak 10873 from cnoeabs.peaks (0.77, 4.22, 53.50 ppm; 3.58 A): 2 out of 5 assignments used, quality = 0.77: QD1 ILE 37 + HA ALA 34 OK 61 96 - 64 - 2.1/10871=23, ~10915=16...(8) QD1 ILE 32 + HA ALA 34 OK 42 99 - 43 - 9007=13, ~10811=7...(10) QD1 LEU 103 - HA ALA 34 lone 6 81 - 8 - 1102/10871=2...(3) QD1 LEU 96 - HA ALA 34 lone 4 98 - 4 - QG1 VAL 63 - HA ALA 34 lone 2 73 - 3 - Peak 10874 from cnoeabs.peaks (1.54, 4.22, 53.50 ppm; 4.41 A): 0 out of 3 assignments used, low quality = 0.12: HB2 LEU 22 - HA ALA 34 OK 12 87 - 14 - 4.6/10868=12 HB2 LEU 119 - HA ALA 34 lone 6 81 - 7 - 3.0/10872=4...(3) HB3 LEU 42 - HA ALA 34 lone 1 87 - 1 - Peak 10876 from cnoeabs.peaks (1.96, 4.22, 53.50 ppm; 3.79 A): 4 out of 5 assignments used, quality = 0.75: HB ILE 37 + HA ALA 34 OK 52 73 - 70 - 2.9/10871=22...(8) HB3 LYS 86 + HA ALA 34 OK 26 92 - 28 - 10877/2.1=11, ~2629=6...(6) HB2 GLU 30 + HA ALA 34 OK 20 96 - 20 - 761=4, 10877/2.1=3...(8) HB2 GLN 27 + HA ALA 34 OK 15 92 - 16 - 701/3.6=5, 10877/2.1=3...(6) HB3 ARG 90 - HA ALA 34 poor 9 65 - 13 - ~9897=5, 10877/2.1=2...(4) Peak 10877 from cnoeabs.peaks (1.96, 1.42, 18.75 ppm; 4.02 A): 5 out of 5 assignments used, quality = 0.85: HB ILE 37 + QB ALA 34 OK 53 73 - 73 - 2.9/10915=27...(10) HB3 LYS 86 + QB ALA 34 OK 49 92 - 53 - 2641=13, 1.8/2629=10...(13) HB2 GLU 30 + QB ALA 34 OK 15 96 - 16 - 10876/2.1=6, ~768=2...(6) HB2 GLN 27 + QB ALA 34 OK 15 92 - 16 - 701/3.6=6, 10876/2.1=5...(4) HB3 ARG 90 + QB ALA 34 OK 11 65 - 17 - 3.0/9897=7, ~2792=3...(4) Peak 10878 from cnoeabs.peaks (7.98, 1.42, 18.75 ppm; 3.90 A): 3 out of 3 assignments used, quality = 0.67: H SER 38 + QB ALA 34 OK 44 99 - 44 - 10869/2.1=18...(7) H SER 51 + QB ALA 34 OK 25 100 - 25 - 10867/2.9=9, 10869/2.1=8...(6) H SER 94 + QB ALA 34 OK 23 73 - 31 - 4.3/9974=7, 3.6/954=5...(11) Peak 10881 from cnoeabs.peaks (4.04, 4.52, 54.77 ppm; 4.58 A): 0 out of 4 assignments used, low quality = 0.00: HA LEU 96 - HA ASP 35 lone 1 96 - 1 - HD3 PRO 81 - HA ASP 35 lone 1 100 - 1 - HA ALA 92 - HA ASP 35 lone 1 57 - 1 - HB3 SER 124 - HA ASP 35 lone 1 73 - 1 - Peak 10882 from cnoeabs.peaks (4.12, 2.67, 40.19 ppm; 5.05 A): 0 out of 5 assignments used, low quality = 0.00: HA ILE 32 - HB2 ASP 35 lone 6 65 - 9 - 10883/1.8=8 HA LEU 48 - HB2 ASP 35 lone 3 65 - 5 - 10883/1.8=4 HA CYS 45 - HB2 ASP 35 lone 1 96 - 1 - HA3 GLY 114 - HB2 ASP 35 lone 1 87 - 1 - HA ILE 80 - HB2 ASP 35 lone 1 81 - 1 - Peak 10883 from cnoeabs.peaks (4.11, 2.75, 40.19 ppm; 5.29 A): 0 out of 6 assignments used, low quality = 0.12: HA ILE 32 - HB3 ASP 35 OK 12 100 - 12 - 10882/1.8=9, 10808/7009=2 HA LEU 48 - HB3 ASP 35 lone 6 100 - 6 - 10882/1.8=5 HA CYS 79 - HB3 ASP 35 lone 1 98 - 1 - HA LEU 49 - HB3 ASP 35 lone 1 99 - 1 - HA LEU 98 - HB3 ASP 35 lone 1 98 - 1 - HA GLN 101 - HB3 ASP 35 lone 1 87 - 1 - Peak 10885 from cnoeabs.peaks (1.41, 4.52, 54.77 ppm; 4.37 A): 1 out of 3 assignments used, quality = 0.71: QB ALA 34 + HA ASP 35 OK 71 87 - 82 - 6381/3.0=35, ~953=22...(8) HG2 LYS 86 - HA ASP 35 poor 8 73 - 10 - 10888/3.0=4, 6381/3.0=3 QB ALA 16 - HA ASP 35 lone 1 73 - 1 - Peak 10887 from cnoeabs.peaks (1.41, 2.67, 40.19 ppm; 5.41 A): 2 out of 3 assignments used, quality = 0.71: QB ALA 34 + HB2 ASP 35 OK 67 87 - 78 - 3.6/6383=48...(3) HG2 LYS 86 + HB2 ASP 35 OK 11 73 - 15 - 10888/1.8=7, 10885/3.0=4 QB ALA 16 - HB2 ASP 35 lone 1 73 - 2 - Peak 10888 from cnoeabs.peaks (1.42, 2.75, 40.19 ppm; 5.66 A): 2 out of 2 assignments used, quality = 0.80: QB ALA 34 + HB3 ASP 35 OK 76 98 - 77 - 6381/4.0=42...(3) HG2 LYS 86 + HB3 ASP 35 OK 16 92 - 17 - 10887/1.8=6, 10885/3.0=4 Peak 10898 from cnoeabs.peaks (0.87, 1.82, 32.86 ppm; 3.94 A): 0 out of 12 assignments used, low quality = 0.26: QD2 LEU 69 - HB2 LYS 36 OK 18 99 - 18 - 2217/3.5=4, 2217/3.5=4...(6) QG2 VAL 57 - HB2 LYS 36 OK 10 92 - 11 - ~9321=10 QD1 LEU 98 - HB2 LYS 36 lone 6 92 - 6 - ~10900=2, ~10901=2 QG2 VAL 57 - HB3 LYS 19 poor 5 25 - 19 - ~11829=14, 9316/3.9=3 QD2 LEU 69 - HB3 LYS 31 lone 3 36 - 9 - 10739/3.5=3, 10739/3.5=3 QD2 LEU 98 - HB2 LYS 36 lone 2 65 - 3 - 10901/3.0=1 QD1 LEU 98 - HB3 LYS 31 lone 2 30 - 6 - 10739/3.5=1, 10739/3.5=1 QD1 LEU 98 - HB3 LYS 19 lone 2 25 - 7 - ~10701=2, ~10748=2 QD2 LEU 98 - HB3 LYS 31 lone 1 19 - 6 - 10739/3.5=1, 10739/3.5=1 QD2 LEU 98 - HB3 LYS 19 lone 1 16 - 3 - QG2 VAL 57 - HB3 LYS 31 lone 1 30 - 2 - QD2 LEU 69 - HB3 LYS 19 lone 0 30 - 2 - Peak 10899 from cnoeabs.peaks (0.84, 1.88, 32.86 ppm; 4.47 A): 0 out of 2 assignments used, low quality = 0.11: QD2 LEU 22 - HB3 LYS 36 OK 11 98 - 12 - 401/3.0=3, 3.9/996=2...(6) QG1 VAL 133 - HB3 LYS 36 poor 8 73 - 11 - 10577/4.9=3, 10577/4.9=2...(4) Peak 10900 from cnoeabs.peaks (0.88, 1.38, 24.92 ppm; 3.99 A): 1 out of 2 assignments used, quality = 0.48: QD2 LEU 123 + HG2 LYS 36 OK 48 92 - 53 - 10901/1.8=16...(13) QD2 LEU 98 - HG2 LYS 36 lone 8 98 - 8 - 10901/1.8=4, ~10898=2 Peak 10901 from cnoeabs.peaks (0.88, 1.47, 24.92 ppm; 4.71 A): 3 out of 3 assignments used, quality = 0.65: QD2 LEU 123 + HG3 LYS 36 OK 48 73 - 66 - 10900/1.8=38...(13) QD2 LEU 69 + HG3 LYS 36 OK 23 81 - 29 - 10898/3.0=6, 2217/3.0=4...(11) QD2 LEU 98 + HG3 LYS 36 OK 11 100 - 11 - 10900/1.8=6, ~10898=3 Peak 10903 from cnoeabs.peaks (0.77, 2.96, 41.80 ppm; 3.55 A): 5 out of 21 assignments used, quality = 0.58: QD1 ILE 32 + HE2 LYS 31 OK 25 75 - 33 - ~10757=4, ~10840=4...(11) QD1 ILE 32 + HE3 LYS 36 OK 15 92 - 17 - ~10837=3, ~10842=2...(6) QD1 ILE 32 + HE2 LYS 19 OK 15 75 - 20 - 932/3.8=3, 9008/1.8=2...(8) QD1 ILE 32 + HE3 LYS 19 OK 13 75 - 17 - 932/3.8=3, 9008=2...(7) QD1 ILE 32 + HE2 LYS 36 OK 10 62 - 16 - ~10837=3, ~10842=2...(6) QD1 ILE 32 - HE3 LYS 24 poor 10 92 - 10 - 932/4.0=2, 9008=1, 929/5.1=1 QD1 ILE 37 - HE3 LYS 36 poor 9 81 - 12 - 10918/3.0=3, 10918/3.0=3...(4) QD1 LEU 96 - HE2 LYS 31 lone 6 87 - 7 - 3103/3.7=3, ~11694=2 QD1 ILE 37 - HE2 LYS 36 poor 6 52 - 11 - 10918/3.0=3, 10918/3.0=3...(4) QD1 LEU 96 - HE3 LYS 36 lone 4 100 - 4 - QD1 LEU 96 - HE3 LYS 24 lone 4 100 - 4 - QD1 ILE 37 - HE2 LYS 31 lone 3 64 - 4 - 3.0/10705=1 QD1 LEU 96 - HE2 LYS 36 lone 2 73 - 3 - QD1 ILE 37 - HE3 LYS 24 lone 2 81 - 2 - QD1 ILE 37 - HE3 LYS 86 lone 1 73 - 1 - QD1 LEU 96 - HE3 LYS 86 lone 1 96 - 1 - QD1 LEU 96 - HE2 LYS 19 lone 1 87 - 1 - QD1 LEU 96 - HE3 LYS 19 lone 1 87 - 1 - QD1 ILE 37 - HE3 LYS 19 lone 1 64 - 1 - QD1 ILE 32 - HE3 LYS 86 lone 1 84 - 1 - QD1 ILE 37 - HE2 LYS 19 lone 1 64 - 1 - Peak 10905 from cnoeabs.peaks (1.17, 4.02, 61.28 ppm; 4.76 A): 3 out of 3 assignments used, quality = 0.84: QB ALA 41 + HA ILE 37 OK 63 98 - 64 - 9069/3.2=26...(8) HG12 ILE 32 + HA ILE 37 OK 40 92 - 44 - 10904/2.9=12...(9) QG2 THR 18 + HA ILE 37 OK 30 96 - 31 - ~10920=10, 10904/2.9=8...(6) Peak 10906 from cnoeabs.peaks (1.15, 1.97, 38.06 ppm; 5.27 A): 2 out of 2 assignments used, quality = 0.66: HG3 LYS 39 + HB ILE 37 OK 57 96 - 59 - 10910/2.1=35...(4) HB3 LEU 62 + HB ILE 37 OK 23 73 - 31 - ~9395=18, 10910/2.1=14 Peak 10908 from cnoeabs.peaks (1.41, 1.97, 38.06 ppm; 4.65 A): 1 out of 2 assignments used, quality = 0.57: QB ALA 34 + HB ILE 37 OK 57 73 - 77 - 10915/2.9=25, ~10871=21...(11) QB ALA 16 - HB ILE 37 lone 4 87 - 5 - ~10667=4 Peak 10909 from cnoeabs.peaks (0.64, 0.94, 17.33 ppm; 4.15 A): 0 out of 2 assignments used, low quality = 0.25: QD1 LEU 42 - QG2 ILE 37 OK 25 98 - 25 - 4.6/9027=10...(7) QD1 ILE 129 - QG2 ILE 37 lone 8 96 - 9 - 10454/9180=3...(4) Peak 10910 from cnoeabs.peaks (1.15, 0.94, 17.33 ppm; 3.40 A): 0 out of 2 assignments used, low quality = 0.33: HG3 LYS 39 - QG2 ILE 37 OK 25 87 - 29 - 10906/2.1=9, 10917/3.2=9...(5) HB3 LEU 62 - QG2 ILE 37 OK 10 87 - 12 - ~9395=7, 10906/2.1=4 Peak 10911 from cnoeabs.peaks (1.40, 0.94, 17.33 ppm; 3.84 A): 0 out of 5 assignments used, low quality = 0.19: HG LEU 96 - QG2 ILE 37 OK 19 99 - 19 - 3089/3.0=5, 2.1/1094=3...(8) HG2 LYS 95 - QG2 ILE 37 lone 6 73 - 8 - 3.9/1089=1, ~3000=1 QB ALA 16 - QG2 ILE 37 lone 5 65 - 7 - 2.9/10667=4, 3.7/9023=2 HG3 LYS 31 - QG2 ILE 37 lone 4 92 - 4 - 3.7/10705=1, 3.7/10705=1 QB ALA 109 - QG2 ILE 37 lone 1 81 - 2 - Peak 10912 from cnoeabs.peaks (1.68, 0.94, 17.33 ppm; 4.28 A): 4 out of 4 assignments used, quality = 0.72: HD2 LYS 39 + QG2 ILE 37 OK 44 100 - 44 - 3.0/10910=28, ~10906=11...(4) HD3 LYS 36 + QG2 ILE 37 OK 23 81 - 28 - 6.1/10891=9, 6408/4.0=8...(7) HD2 LYS 36 + QG2 ILE 37 OK 23 81 - 28 - 6.1/10891=9, 6408/4.0=8...(7) HB2 LEU 69 + QG2 ILE 37 OK 15 73 - 21 - ~11061=7, ~11059=6...(5) Peak 10913 from cnoeabs.peaks (1.79, 0.94, 17.33 ppm; 4.35 A): 2 out of 5 assignments used, quality = 0.83: HB3 LEU 103 + QG2 ILE 37 OK 79 96 - 82 - 3.0/1093=12, 3.2/1094=10...(30) HB3 LEU 122 + QG2 ILE 37 OK 20 92 - 22 - 3384/3.2=2, ~3866=2...(11) HB3 LEU 98 - QG2 ILE 37 lone 9 96 - 9 - 3167/3.2=2, ~3158=2 HB2 LYS 86 - QG2 ILE 37 lone 3 87 - 4 - HB2 LEU 48 - QG2 ILE 37 lone 1 73 - 2 - Peak 10914 from cnoeabs.peaks (1.16, 1.28, 27.60 ppm; 4.56 A): 3 out of 3 assignments used, quality = 0.77: HG12 ILE 32 + HG12 ILE 37 OK 56 100 - 56 - 10917/1.8=15, 917/2.1=10...(13) HG3 LYS 39 + HG12 ILE 37 OK 33 92 - 36 - 10917/1.8=18...(5) QB ALA 41 + HG12 ILE 37 OK 23 65 - 35 - 9069/3.2=12, 9070/2.1=9...(5) Peak 10915 from cnoeabs.peaks (1.42, 1.28, 27.60 ppm; 4.22 A): 1 out of 2 assignments used, quality = 0.70: QB ALA 34 + HG12 ILE 37 OK 70 99 - 71 - 2.1/10871=32...(10) HG2 LYS 86 - HG12 ILE 37 lone 3 96 - 3 - 952/10871=2 Peak 10916 from cnoeabs.peaks (1.84, 1.28, 27.60 ppm; 5.00 A): 1 out of 2 assignments used, quality = 0.74: HB3 LEU 123 + HG12 ILE 37 OK 74 96 - 77 - ~11571=22, 3.2/1099=12...(17) HB2 CYS 79 - HG12 ILE 37 lone 1 100 - 1 - Peak 10917 from cnoeabs.peaks (1.16, 1.56, 27.60 ppm; 4.11 A): 2 out of 2 assignments used, quality = 0.62: HG3 LYS 39 + HG13 ILE 37 OK 41 100 - 41 - 10910/3.2=20...(4) HG12 ILE 32 + HG13 ILE 37 OK 35 81 - 43 - 10914/1.8=12, 2.1/1110=7...(11) Peak 10918 from cnoeabs.peaks (1.67, 0.78, 12.10 ppm; 3.65 A): 3 out of 13 assignments used, quality = 0.49: HB2 LEU 69 + QD1 ILE 37 OK 28 98 - 29 - 3.0/11061=13...(5) HD2 LYS 36 + QD1 ILE 37 OK 16 96 - 16 - 6408/4.9=6, ~10912=3...(5) HD3 LYS 36 + QD1 ILE 37 OK 16 96 - 16 - 6408/4.9=6, ~10912=3...(5) HD2 LYS 31 - QD1 ILE 37 lone 5 92 - 5 - ~10911=1 HD3 LYS 95 - QD1 ILE 37 lone 4 81 - 5 - ~10911=2 HD3 LYS 31 - QD1 ILE 37 lone 4 87 - 5 - ~10911=1 QB ALA 88 - QD1 ILE 37 lone 3 92 - 3 - 9938/9026=2 HD2 LYS 24 - QD1 ILE 37 lone 3 92 - 3 - HD2 LYS 26 - QD1 ILE 37 lone 2 87 - 3 - HD3 LYS 24 - QD1 ILE 37 lone 2 87 - 2 - HD3 LYS 86 - QD1 ILE 37 lone 2 81 - 2 - HD2 LYS 86 - QD1 ILE 37 lone 2 81 - 2 - HD3 LYS 26 - QD1 ILE 37 lone 2 73 - 2 - Peak 10919 from cnoeabs.peaks (4.31, 0.94, 17.33 ppm; 4.69 A): 3 out of 3 assignments used, quality = 0.78: HA TYR 76 + QG2 ILE 37 OK 61 98 - 62 - 3.1/9019=38, ~9020=17...(7) HA ASP 131 + QG2 ILE 37 OK 26 81 - 32 - 4.9/11745=16...(3) HA2 GLY 75 + QG2 ILE 37 OK 26 98 - 26 - 3.5/11135=14, 9604/3.0=4...(5) Peak 10920 from cnoeabs.peaks (4.30, 1.97, 38.06 ppm; 5.97 A): 2 out of 4 assignments used, quality = 0.56: HA THR 18 + HB ILE 37 OK 50 92 - 54 - 3.0/1080=10, ~1088=8...(14) HA SER 74 + HB ILE 37 OK 12 87 - 14 - 9590/3.2=6, ~9575=3, ~11130=2 HA ALA 21 - HB ILE 37 lone 2 81 - 3 - HA THR 25 - HB ILE 37 lone 2 87 - 2 - Peak 10921 from cnoeabs.peaks (8.27, 4.22, 64.43 ppm; 5.00 A): 3 out of 3 assignments used, quality = 0.58: H GLU 40 + HB3 SER 38 OK 40 81 - 50 - 4.6/1134=25, 4.6/9033=19 H LEU 96 + HB3 SER 38 OK 22 100 - 22 - 7315/1.8=5, 6445/4.6=4...(6) H ASP 131 + HB3 SER 38 OK 11 98 - 11 - 10512/9050=6...(3) Peak 10923 from cnoeabs.peaks (1.14, 4.54, 58.15 ppm; 4.38 A): 0 out of 5 assignments used, low quality = 0.35: HG2 LYS 39 - HA SER 38 OK 21 96 - 22 - ~9043=12, 6439/3.6=11 QG2 VAL 132 - HA SER 38 OK 18 100 - 18 - 10551/3.6=13, ~10540=5 QG1 VAL 132 - HA SER 38 poor 7 73 - 10 - 6439/3.6=6, 10540/3.0=3 QG2 THR 115 - HA SER 38 lone 3 96 - 3 - 6439/3.6=2 HB3 LEU 62 - HA SER 38 lone 1 87 - 1 - Peak 10924 from cnoeabs.peaks (0.95, 4.54, 58.15 ppm; 4.50 A): 0 out of 3 assignments used, low quality = 0.00: QG1 VAL 126 - HA SER 38 lone 8 96 - 9 - ~10397=8 QG1 VAL 57 - HA SER 38 lone 1 96 - 1 - QG1 VAL 105 - HA SER 38 lone 1 81 - 1 - Peak 10929 from cnoeabs.peaks (0.73, 2.39, 35.29 ppm; 4.72 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10930 from cnoeabs.peaks (1.17, 2.39, 35.29 ppm; 5.06 A): 3 out of 3 assignments used, quality = 0.94: QB ALA 41 + HG3 GLU 40 OK 81 100 - 81 - 3.0/6473=22, ~6472=20...(9) QG2 THR 18 + HG3 GLU 40 OK 56 99 - 56 - 10682/1.8=48...(4) HG12 ILE 32 + HG3 GLU 40 OK 32 81 - 40 - ~9009=35, 9056/3.9=4, 6453/4.8=3 Peak 10931 from cnoeabs.peaks (1.90, 1.17, 17.90 ppm; 4.84 A): 3 out of 6 assignments used, quality = 0.82: HB2 GLU 40 + QB ALA 41 OK 72 92 - 78 - 6470/3.0=23, ~1260=20...(9) HB2 ARG 135 + QB ALA 41 OK 24 99 - 24 - 6470/3.0=9, ~6471=5...(7) HB2 ARG 90 + QB ALA 41 OK 18 65 - 27 - 2.9/11845=17, 3.0/9898=8 HB3 LEU 123 - QB ALA 41 poor 8 66 - 13 - 3.2/9069=7, 6470/3.0=2, ~6469=2 HB3 ARG 84 - QB ALA 41 lone 3 100 - 3 - 6470/3.0=1 HB2 PRO 113 - QB ALA 41 lone 2 87 - 2 - Peak 10932 from cnoeabs.peaks (2.02, 1.17, 17.90 ppm; 4.29 A): 3 out of 9 assignments used, quality = 0.75: HB2 GLN 134 + QB ALA 41 OK 46 92 - 50 - 4.3/9062=21...(6) HB2 GLU 44 + QB ALA 41 OK 42 73 - 58 - ~1409=17, ~1281=14...(10) HG2 ARG 90 + QB ALA 41 OK 22 81 - 27 - 11845=13, 3.8/9898=6...(6) HB VAL 63 - QB ALA 41 lone 7 87 - 8 - 2020/10933=3, 2.1/9070=2 HB3 GLU 30 - QB ALA 41 lone 7 96 - 7 - ~9065=1, 7966/9062=1 HB3 MET 11 - QB ALA 41 lone 1 81 - 2 - HB3 PRO 117 - QB ALA 41 lone 1 81 - 1 - HG2 PRO 56 - QB ALA 41 lone 1 73 - 1 - HG3 PRO 56 - QB ALA 41 lone 1 73 - 1 - Peak 10933 from cnoeabs.peaks (4.00, 1.17, 17.90 ppm; 4.00 A): 0 out of 4 assignments used, low quality = 0.23: HA SER 60 - QB ALA 41 OK 23 92 - 25 - 3.0/1283=6, 3.0/1283=6...(8) HB3 SER 99 - QB ALA 41 lone 2 100 - 2 - HA SER 50 - QB ALA 41 lone 1 73 - 2 - HB2 SER 124 - QB ALA 41 lone 1 65 - 2 - Peak 10935 from cnoeabs.peaks (4.02, 3.91, 54.68 ppm; 4.61 A): 3 out of 7 assignments used, quality = 0.59: HA ILE 37 + HA ALA 41 OK 39 98 - 40 - 10905/2.1=16, ~9069=16...(4) HB2 SER 38 + HA ALA 41 OK 22 65 - 34 - ~9033=16, ~9042=16, 10934/2.9=6 HA ARG 135 + HA ALA 41 OK 12 87 - 15 - ~6470=5, 10934/2.9=4...(4) HA LEU 103 - HA ALA 41 poor 10 81 - 12 - 10934/2.9=3, 3.6/1275=2...(5) HA LYS 95 - HA ALA 41 lone 4 96 - 4 - 10934/2.9=1 HB3 SER 124 - HA ALA 41 lone 2 87 - 2 - ~10933=1 HA LEU 119 - HA ALA 41 lone 1 99 - 1 - Peak 10936 from cnoeabs.peaks (4.52, 1.17, 17.90 ppm; 4.81 A): 0 out of 1 assignment used, low quality = 0.00: HA ASP 35 - QB ALA 41 lone 6 100 - 6 - 9013/10905=4, 10813/9070=1 Peak 10937 from cnoeabs.peaks (8.29, 3.91, 54.68 ppm; 4.53 A): 3 out of 7 assignments used, quality = 0.58: H LEU 43 + HA ALA 41 OK 41 81 - 51 - 3.9/1279=23...(6) H VAL 126 + HA ALA 41 OK 21 96 - 22 - 7801/2.9=8, ~11598=4...(6) H SER 99 + HA ALA 41 OK 10 98 - 10 - 6491/3.6=2, 6477/2.9=2 H LEU 69 - HA ALA 41 lone 5 96 - 5 - 9061/2.1=3 H LEU 49 - HA ALA 41 lone 3 73 - 4 - 9061/2.1=3 H ALA 110 - HA ALA 41 lone 2 87 - 3 - 9061/2.1=2 H GLY 111 - HA ALA 41 lone 1 73 - 2 - 9061/2.1=1 Peak 10938 from cnoeabs.peaks (1.15, 0.63, 27.44 ppm; 4.89 A): 0 out of 2 assignments used, low quality = 0.22: HG3 LYS 39 - QD1 LEU 42 OK 22 99 - 22 - ~10939=11, 10910/10909=8 HG12 ILE 32 - QD1 LEU 42 lone 3 73 - 4 - 10477/4123=2 Peak 10939 from cnoeabs.peaks (1.14, 0.56, 24.08 ppm; 4.31 A): 4 out of 5 assignments used, quality = 0.54: HG2 LYS 39 + QD2 LEU 42 OK 27 92 - 29 - ~10938=19, 11680/10585=5...(4) QG2 VAL 132 + QD2 LEU 42 OK 18 100 - 18 - 4.4/11802=9...(3) HB3 LEU 62 + QD2 LEU 42 OK 12 92 - 14 - 3.0/9085=6, ~10996=2...(4) QG1 VAL 132 + QD2 LEU 42 OK 12 65 - 19 - 4.2/11802=9...(3) QG2 THR 115 - QD2 LEU 42 lone 8 92 - 8 - 10196/3.1=4, ~10191=2 Peak 10941 from cnoeabs.peaks (2.10, 3.78, 57.62 ppm; 5.29 A): 0 out of 5 assignments used, low quality = 0.19: HB VAL 126 - HA LEU 43 OK 19 73 - 25 - 3.7/1339=6, ~4021=6...(5) HB3 GLN 82 - HA LEU 43 lone 3 92 - 3 - 11263/9731=2 HB VAL 57 - HA LEU 43 lone 2 81 - 2 - HB2 GLN 61 - HA LEU 43 lone 1 100 - 1 - HB3 GLN 61 - HA LEU 43 lone 1 96 - 2 - Peak 10943 from cnoeabs.peaks (0.57, 3.78, 57.62 ppm; 4.84 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10944 from cnoeabs.peaks (1.02, 3.78, 57.62 ppm; 5.04 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10945 from cnoeabs.peaks (0.60, 1.73, 40.91 ppm; 6.06 A): 0 out of 1 assignment used, low quality = 0.17: QD1 LEU 100 - HB2 LEU 43 OK 17 99 - 17 - 10036/3.0=12, 10044/9471=1 Peak 10946 from cnoeabs.peaks (8.54, 2.51, 34.64 ppm; 5.21 A): 1 out of 1 assignment used, quality = 0.71: H ALA 46 + HG3 GLU 44 OK 71 87 - 82 - 3.2/1430=32, 6531/4.8=26...(8) Peak 10947 from cnoeabs.peaks (1.70, 2.34, 34.64 ppm; 4.61 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10948 from cnoeabs.peaks (1.38, 2.34, 34.64 ppm; 4.49 A): 0 out of 12 assignments used, low quality = 0.29: QB ALA 28 - HG2 GLU 44 OK 20 87 - 23 - 2.9/1417=7, ~1424=5...(6) QB ALA 29 - HG2 GLU 44 OK 11 98 - 11 - 10792=2, 4.9/758=2...(4) HB2 LEU 96 - HG2 GLU 44 lone 8 98 - 8 - 3.0/1418=2, 3067/3.7=2, ~1425=1 HB3 LEU 100 - HG2 GLU 44 lone 6 99 - 6 - 4.6/1423=4 HB2 LEU 42 - HG2 GLU 44 lone 3 100 - 3 - HG3 LYS 26 - HG2 GLU 44 lone 2 96 - 3 - HG2 LYS 36 - HG2 GLU 44 lone 2 98 - 2 - 10900/11582=1 HG2 LYS 24 - HG2 GLU 44 lone 2 99 - 2 - QB ALA 15 - HG2 GLU 44 lone 1 92 - 1 - QB ALA 110 - HG2 GLU 44 lone 1 92 - 1 - QB ALA 108 - HG2 GLU 44 lone 1 81 - 1 - HG3 LYS 95 - HG2 GLU 44 lone 1 73 - 1 - Peak 10949 from cnoeabs.peaks (1.16, 2.34, 34.64 ppm; 4.64 A): 2 out of 3 assignments used, quality = 0.55: QB ALA 41 + HG2 GLU 44 OK 38 65 - 59 - ~9064=19, ~1409=15...(7) HG3 LYS 39 + HG2 GLU 44 OK 27 92 - 30 - ~9140=9, 1185/3.0=5...(9) HG12 ILE 32 - HG2 GLU 44 lone 3 100 - 3 - Peak 10951 from cnoeabs.peaks (0.79, 3.90, 55.49 ppm; 4.52 A): 2 out of 4 assignments used, quality = 0.59: QD2 LEU 49 + HA ALA 46 OK 40 99 - 40 - 3.2/1457=14...(6) QD1 LEU 53 + HA ALA 46 OK 31 100 - 31 - ~9175=11, 2.1/9173=7...(7) QD2 LEU 119 - HA ALA 46 lone 4 87 - 4 - QD2 LEU 122 - HA ALA 46 lone 1 73 - 1 - Peak 10952 from cnoeabs.peaks (1.50, 3.90, 55.49 ppm; 5.27 A): 2 out of 2 assignments used, quality = 0.79: HG LEU 69 + HA ALA 46 OK 60 65 - 91 - 2.1/9174=43, ~11063=35...(9) HB2 LEU 49 + HA ALA 46 OK 47 73 - 64 - 1.8/1457=23...(7) Peak 10953 from cnoeabs.peaks (0.85, 1.34, 16.76 ppm; 3.31 A): 0 out of 3 assignments used, low quality = 0.14: QG2 ILE 32 - QB ALA 46 OK 14 87 - 16 - 3.0/9176=11, ~9166=3, ~9189=1 QD2 LEU 70 - QB ALA 46 lone 4 73 - 6 - 11109/9185=2, 4.9/1462=2 QD2 LEU 22 - QB ALA 46 lone 1 81 - 2 - Peak 10954 from cnoeabs.peaks (1.33, 2.84, 39.77 ppm; 4.92 A): 1 out of 2 assignments used, quality = 0.50: QB ALA 46 + HB3 ASP 47 OK 50 87 - 58 - 3.7/6571=39...(4) QB ALA 21 - HB3 ASP 47 lone 6 87 - 7 - 6568/4.0=4, 10955/1.8=2 Peak 10955 from cnoeabs.peaks (1.34, 2.72, 39.77 ppm; 5.32 A): 1 out of 2 assignments used, quality = 0.65: QB ALA 46 + HB2 ASP 47 OK 65 99 - 65 - 3.7/6570=43...(4) QB ALA 21 - HB2 ASP 47 lone 9 99 - 9 - 6568/4.0=5, 10954/1.8=3 Peak 10956 from cnoeabs.peaks (0.92, 2.72, 39.77 ppm; 4.94 A): 0 out of 7 assignments used, low quality = 0.42: QD1 LEU 48 - HB2 ASP 47 OK 26 81 - 32 - 4.8/6581=31 QD2 LEU 48 - HB2 ASP 47 OK 22 73 - 30 - 5.0/6581=29 QD1 LEU 49 - HB2 ASP 47 lone 7 96 - 8 - 6587/4.7=7 QD1 LEU 62 - HB2 ASP 47 lone 7 98 - 7 - 9388/3.0=2, 6587/4.7=1, ~11000=1 QG2 VAL 112 - HB2 ASP 47 lone 4 81 - 5 - 6588/4.7=3, 11500/10535=2 QG1 VAL 20 - HB2 ASP 47 lone 2 65 - 4 - 6587/4.7=3 QG2 VAL 63 - HB2 ASP 47 lone 2 87 - 2 - 6587/4.7=1 Peak 10957 from cnoeabs.peaks (1.22, 0.91, 23.93 ppm; 2.94 A): 0 out of 1 assignment used, low quality = 0.42: QG2 THR 65 - QD2 LEU 48 OK 42 92 - 46 - 9430=16, 11370/2.1=13...(11) Peak 10958 from cnoeabs.peaks (4.03, 1.89, 41.65 ppm; 4.29 A): 0 out of 3 assignments used, low quality = 0.28: HB3 SER 124 - HB3 LEU 48 OK 28 100 - 28 - 10372/3.1=12, 3979/3.9=7...(7) HD3 PRO 81 - HB3 LEU 48 lone 6 81 - 8 - 3.8/1503=7 HA LEU 119 - HB3 LEU 48 lone 3 92 - 3 - 7691/10317=1 Peak 10959 from cnoeabs.peaks (1.23, 1.50, 41.17 ppm; 5.50 A): 2 out of 3 assignments used, quality = 0.87: QG2 THR 65 + HB2 LEU 49 OK 81 96 - 85 - 9442/1.8=37...(11) QG2 THR 54 + HB2 LEU 49 OK 29 73 - 39 - 4.2/9267=33, 11703/3.9=4...(4) QG2 THR 83 - HB2 LEU 49 lone 7 81 - 8 - ~9758=3, 11703/3.9=1 Peak 10960 from cnoeabs.peaks (1.21, 1.92, 41.17 ppm; 4.62 A): 0 out of 2 assignments used, low quality = 0.00: HG12 ILE 80 - HB3 LEU 49 lone 3 100 - 3 - 9203/1557=2 HG12 ILE 80 - HB3 LEU 123 lone 1 36 - 3 - ~11169=1 Peak 10961 from cnoeabs.peaks (0.91, 3.94, 62.66 ppm; 4.21 A): 3 out of 6 assignments used, quality = 0.48: QD2 LEU 48 + HB2 SER 51 OK 31 100 - 31 - 3.8/1492=24, 9227/4.6=7 QG1 VAL 20 + HB2 SER 51 OK 14 100 - 14 - 9227/4.6=5, 349/1.8=2...(6) QD1 LEU 49 + HB2 SER 51 OK 13 92 - 14 - 4.1/1615=8, 1488/1492=4 QG2 VAL 63 - HB2 SER 51 lone 8 98 - 8 - 4.4/11022=6 QD1 LEU 62 - HB2 SER 51 lone 3 87 - 4 - 11726/9219=1 QG1 VAL 118 - HB2 SER 51 lone 3 73 - 5 - 9227/4.6=3 Peak 10962 from cnoeabs.peaks (0.77, 3.94, 62.66 ppm; 5.09 A): 0 out of 2 assignments used, low quality = 0.00: QD1 ILE 32 - HB2 SER 51 lone 6 65 - 10 - 4.2/1615=4, ~10815=2, 9007/2.9=1 QD1 LEU 96 - HB2 SER 51 lone 4 96 - 4 - 9980/9219=3 Peak 10964 from cnoeabs.peaks (0.86, 1.48, 18.03 ppm; 3.50 A): 1 out of 5 assignments used, quality = 0.78: QG2 VAL 57 + QB ALA 52 OK 78 100 - 78 - 9317=44, 9304/2.1=27...(7) QD2 LEU 70 - QB ALA 52 lone 8 87 - 9 - 4.0/9243=5, ~10963=3 QD1 LEU 98 - QB ALA 52 lone 7 100 - 7 - 10965/2.1=2, 4.0/1631=1 QG2 ILE 32 - QB ALA 52 lone 4 73 - 5 - 3.2/1631=2 QD2 LEU 69 - QB ALA 52 lone 2 81 - 2 - Peak 10965 from cnoeabs.peaks (0.87, 4.13, 54.53 ppm; 4.36 A): 1 out of 3 assignments used, quality = 0.71: QG2 VAL 57 + HA ALA 52 OK 71 96 - 74 - 9317/2.1=38, 2.1/9229=31...(6) QD1 LEU 98 - HA ALA 52 lone 6 96 - 6 - 10964/2.1=3, 1810/9229=1 QD2 LEU 69 - HA ALA 52 lone 3 98 - 3 - Peak 10966 from cnoeabs.peaks (2.44, 3.65, 49.73 ppm; 5.24 A): 0 out of 2 assignments used, low quality = 0.15: HG2 GLN 82 - HD3 PRO 56 OK 15 98 - 15 - 9211/9210=14 HG3 GLN 82 - HD3 PRO 56 lone 1 87 - 1 - Peak 10970 from cnoeabs.peaks (0.67, 2.09, 32.84 ppm; 5.47 A): 1 out of 2 assignments used, quality = 0.54: QD2 LEU 62 + HB VAL 57 OK 54 87 - 62 - 9319/2.1=41...(6) QD2 LEU 100 - HB VAL 57 lone 4 65 - 6 - 9319/2.1=4 Peak 10971 from cnoeabs.peaks (0.69, 0.95, 21.50 ppm; 4.65 A): 0 out of 1 assignment used, low quality = 0.00: QD1 LEU 43 - QG1 VAL 57 lone 7 96 - 8 - 2.1/9311=6 Peak 10973 from cnoeabs.peaks (0.95, 2.41, 32.16 ppm; 5.06 A): 2 out of 3 assignments used, quality = 0.67: QG1 VAL 57 + HB3 PRO 58 OK 57 100 - 57 - ~9306=24, ~9302=19...(7) QD1 LEU 119 + HB3 PRO 58 OK 24 87 - 28 - 9325/3.0=9, 9323/3.0=9...(6) QG1 VAL 126 - HB3 PRO 58 lone 2 65 - 3 - Peak 10974 from cnoeabs.peaks (8.67, 2.03, 27.78 ppm; 5.38 A): 1 out of 1 assignment used, quality = 0.57: H SER 60 + HG2 PRO 58 OK 57 87 - 66 - 9338/3.8=21...(8) Peak 10976 from cnoeabs.peaks (2.03, 3.91, 61.50 ppm; 5.42 A): 4 out of 12 assignments used, quality = 0.50: HG3 ARG 135 + HB2 SER 60 OK 16 99 - 16 - 10978/4.0=5, 4337/3.0=3...(7) HG3 ARG 135 + HB3 SER 60 OK 16 99 - 16 - 10978/4.0=5, 4337/3.0=3...(7) HG2 PRO 58 + HB2 SER 60 OK 15 73 - 21 - 10978/4.0=18, 1902/3.0=1 HG2 PRO 58 + HB3 SER 60 OK 15 73 - 21 - 10978/4.0=18, 1902/3.0=1 HB3 GLU 91 - HB2 SER 60 lone 9 99 - 9 - 10978/4.0=4, ~2858=2, 3.0/2858=2 HB3 GLU 91 - HB3 SER 60 lone 9 99 - 9 - 10978/4.0=4, ~2858=2, 3.0/2858=2 HB3 GLU 40 - HB2 SER 60 lone 8 100 - 8 - 4.6/6474=6, 10978/4.0=1 HB3 GLU 40 - HB3 SER 60 lone 8 100 - 8 - 4.6/6474=6, 10978/4.0=1 HB3 GLU 55 - HB2 SER 60 lone 2 81 - 2 - HB3 GLU 55 - HB3 SER 60 lone 2 81 - 2 - QE MET 11 - HB2 SER 60 lone 1 87 - 1 - QE MET 11 - HB3 SER 60 lone 1 87 - 1 - Peak 10977 from cnoeabs.peaks (0.92, 3.91, 61.50 ppm; 6.08 A): 4 out of 12 assignments used, quality = 0.70: QG2 VAL 63 + HB2 SER 60 OK 30 81 - 37 - ~2020=18, ~1902=16, 10982/4.6=6 QG2 VAL 63 + HB3 SER 60 OK 30 81 - 37 - ~2020=18, ~1902=16, 10982/4.6=6 QD1 LEU 62 + HB2 SER 60 OK 23 96 - 24 - 11001/3.0=17, 10982/4.6=6 QD1 LEU 62 + HB3 SER 60 OK 23 96 - 24 - 11001/3.0=17, 10982/4.6=6 QD1 LEU 49 - HB3 SER 60 lone 7 92 - 7 - 1587/4.0=4, 10982/4.6=2 QD1 LEU 49 - HB2 SER 60 lone 7 92 - 7 - 1587/4.0=4, 10982/4.6=2 QD1 LEU 48 - HB3 SER 60 lone 2 87 - 2 - QD1 LEU 48 - HB2 SER 60 lone 2 87 - 2 - QD2 LEU 48 - HB3 SER 60 lone 2 65 - 3 - QD2 LEU 48 - HB2 SER 60 lone 2 65 - 3 - QG2 VAL 112 - HB3 SER 60 lone 2 87 - 2 - QG2 VAL 112 - HB2 SER 60 lone 2 87 - 2 - Peak 10980 from cnoeabs.peaks (3.63, 2.28, 33.67 ppm; 5.80 A): 1 out of 3 assignments used, quality = 0.52: HD2 PRO 58 + HG2 GLN 61 OK 52 65 - 80 - 3.9/9377=28...(11) HA2 GLY 66 - HG2 GLN 61 lone 6 100 - 6 - 9309/9377=2 HA3 GLY 66 - HG2 GLN 61 lone 3 87 - 3 - 9309/9377=1 Peak 10985 from cnoeabs.peaks (3.98, 4.28, 57.87 ppm; 5.06 A): 0 out of 6 assignments used, low quality = 0.16: HA THR 65 - HA GLN 61 OK 16 73 - 22 - 2.9/6833=21 HA GLN 127 - HA GLN 61 poor 8 65 - 12 - ~6762=5, ~7809=4 HA GLU 91 - HA GLN 61 lone 7 99 - 6 - 2855/3.0=2 HB3 SER 106 - HA GLN 61 lone 2 100 - 2 - HB3 SER 51 - HA GLN 61 lone 1 98 - 1 - HB3 SER 94 - HA GLN 61 lone 1 87 - 1 - Peak 10986 from cnoeabs.peaks (0.87, 2.41, 33.67 ppm; 3.74 A): 4 out of 4 assignments used, quality = 0.73: QG2 VAL 57 + HG3 GLN 61 OK 61 92 - 67 - 2.1/10987=22...(13) QD1 LEU 98 + HG3 GLN 61 OK 13 92 - 14 - ~9378=5, 10989/1.8=4, ~10989=2 QD2 LEU 98 + HG3 GLN 61 OK 12 65 - 18 - 9378/3.0=6, 9378/3.0=5...(4) QD2 LEU 69 + HG3 GLN 61 OK 11 99 - 11 - 9378/3.0=4, 10989/1.8=3 Peak 10987 from cnoeabs.peaks (0.94, 2.41, 33.67 ppm; 3.85 A): 2 out of 3 assignments used, quality = 0.82: QG1 VAL 57 + HG3 GLN 61 OK 73 98 - 74 - 2.1/10986=23...(15) QD1 LEU 119 + HG3 GLN 61 OK 34 96 - 36 - 9371/3.5=14, 9377/1.8=11...(4) QG2 ILE 37 - HG3 GLN 61 lone 5 57 - 8 - 9371/3.5=3, 9376/3.5=2 Peak 10988 from cnoeabs.peaks (0.95, 2.10, 28.56 ppm; 4.06 A): 4 out of 6 assignments used, quality = 0.88: QG1 VAL 57 + HB3 GLN 61 OK 61 96 - 63 - 10987/3.0=13...(13) QG1 VAL 57 + HB2 GLN 61 OK 46 79 - 59 - 10987/3.0=13...(13) QG1 VAL 126 + HB3 GLN 61 OK 29 96 - 30 - 4017=5, 2.1/4023=5...(10) QG1 VAL 126 + HB2 GLN 61 OK 22 79 - 28 - 4017/1.8=5, 4017=4...(10) QG1 VAL 105 - HB3 GLN 61 lone 7 81 - 8 - 2.1/11456=4, ~11456=3 QG1 VAL 105 - HB2 GLN 61 lone 5 64 - 8 - 2.1/11456=4, ~11456=3 Peak 10989 from cnoeabs.peaks (0.87, 2.28, 33.67 ppm; 4.34 A): 4 out of 4 assignments used, quality = 0.82: QG2 VAL 57 + HG2 GLN 61 OK 71 92 - 77 - 10986/1.8=29...(11) QD1 LEU 98 + HG2 GLN 61 OK 17 92 - 18 - ~9378=8, 10986/1.8=6, ~10986=4 QD2 LEU 98 + HG2 GLN 61 OK 15 65 - 23 - 9378/3.0=8, 9378/3.0=7...(4) QD2 LEU 69 + HG2 GLN 61 OK 14 99 - 14 - 10986/1.8=5, 9378/3.0=5 Peak 10990 from cnoeabs.peaks (8.65, 0.68, 23.19 ppm; 4.39 A): 2 out of 3 assignments used, quality = 0.64: H HIS 67 + QD2 LEU 62 OK 54 92 - 59 - 9461=18, 6860/9386=16...(10) H SER 50 + QD2 LEU 62 OK 22 73 - 30 - ~11001=7, 6627/9228=6...(11) H HIS 8 - QD2 LEU 62 lone 2 87 - 2 - Peak 10992 from cnoeabs.peaks (0.80, 1.65, 26.14 ppm; 3.45 A): 2 out of 4 assignments used, quality = 0.51: QD2 LEU 49 + HG LEU 62 OK 39 100 - 39 - 10994/3.7=12, 1578/2.1=7...(11) QD1 LEU 53 + HG LEU 62 OK 19 96 - 20 - ~11809=9, ~9253=6...(4) QD2 LEU 119 - HG LEU 62 lone 9 98 - 9 - 10994/3.7=3, 10993/4.8=2 QD1 LEU 122 - HG LEU 62 lone 3 65 - 5 - 10993/4.8=1, ~11926=1 Peak 10994 from cnoeabs.peaks (0.80, 3.85, 57.95 ppm; 3.83 A): 3 out of 4 assignments used, quality = 0.60: QD2 LEU 49 + HA LEU 62 OK 47 100 - 47 - 10992/3.7=15...(10) QD1 LEU 53 + HA LEU 62 OK 14 96 - 14 - 10992/3.7=7, 10993/2.9=3 QD2 LEU 119 + HA LEU 62 OK 13 98 - 13 - 10993/2.9=3, 10992/3.7=3...(5) QD1 LEU 122 - HA LEU 62 lone 5 65 - 7 - 10993/2.9=3, 10992/3.7=1 Peak 10995 from cnoeabs.peaks (0.76, 1.14, 42.10 ppm; 4.56 A): 1 out of 2 assignments used, quality = 0.57: QD2 LEU 43 + HB3 LEU 62 OK 57 73 - 77 - 2.1/11806=19, ~9125=17...(18) QD1 LEU 96 - HB3 LEU 62 lone 4 65 - 5 - 9395/1.8=4 Peak 10996 from cnoeabs.peaks (1.48, 0.68, 23.19 ppm; 3.04 A): 0 out of 3 assignments used, low quality = 0.32: QB ALA 52 - QD2 LEU 62 OK 32 99 - 33 - 2.9/9228=11, 9317/9319=8...(5) HG3 LYS 86 - QD2 LEU 62 lone 5 98 - 5 - ~9394=4 HG LEU 42 - QD2 LEU 62 lone 4 65 - 5 - ~9085=2, ~10939=1 Peak 10997 from cnoeabs.peaks (1.23, 3.85, 57.95 ppm; 5.00 A): 1 out of 1 assignment used, quality = 0.67: QG2 THR 65 + HA LEU 62 OK 67 98 - 68 - 2.1/1970=29, 4.0/6834=25...(7) Peak 10998 from cnoeabs.peaks (1.53, 3.85, 57.95 ppm; 4.73 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10999 from cnoeabs.peaks (4.31, 3.85, 57.95 ppm; 5.80 A): 0 out of 3 assignments used, low quality = 0.35: HA2 GLY 75 - HA LEU 62 OK 35 87 - 40 - ~9606=24, 9387/3.9=20 HA TYR 76 - HA LEU 62 lone 10 100 - 10 - ~11140=5, 9387/3.9=2 HA ASP 131 - HA LEU 62 poor 10 96 - 10 - ~10517=4, ~10511=4 Peak 11000 from cnoeabs.peaks (4.33, 1.65, 26.14 ppm; 4.84 A): 4 out of 5 assignments used, quality = 0.92: HA ASN 59 + HG LEU 62 OK 83 100 - 83 - 9360/3.0=35, 9361/2.1=29...(10) HA PRO 81 + HG LEU 62 OK 31 99 - 31 - 9388/2.1=7, 1980/3.0=6...(7) HA LYS 24 + HG LEU 62 OK 24 100 - 24 - ~10733=8, 9388/2.1=6...(5) HA LEU 69 + HG LEU 62 OK 16 96 - 17 - 9388/2.1=5...(6) HA ASP 47 - HG LEU 62 lone 7 73 - 9 - ~10956=2, 9388/2.1=2...(4) Peak 11001 from cnoeabs.peaks (4.00, 0.91, 26.02 ppm; 4.56 A): 0 out of 5 assignments used, low quality = 0.32: HA SER 60 - QD1 LEU 62 OK 18 96 - 19 - 3.6/10982=5, 1901/6810=4...(6) HA SER 50 - QD1 LEU 62 OK 17 65 - 26 - ~10990=6, 2.9/6622=5...(10) HB3 SER 99 - QD1 LEU 62 lone 4 100 - 4 - HB2 SER 124 - QD1 LEU 62 lone 4 57 - 7 - ~3966=4 HB2 SER 38 - QD1 LEU 62 lone 1 65 - 2 - Peak 11002 from cnoeabs.peaks (4.19, 0.91, 26.02 ppm; 5.36 A): 3 out of 4 assignments used, quality = 0.57: HA LEU 53 + QD1 LEU 62 OK 38 65 - 58 - 3.0/11809=35...(5) HA GLU 128 + QD1 LEU 62 OK 22 65 - 34 - ~11006=28, ~7844=6 HB THR 18 + QD1 LEU 62 OK 11 87 - 13 - 3.8/10684=8, 4.6/10698=2 HA VAL 105 - QD1 LEU 62 lone 4 98 - 4 - 10038/2010=1, 3464/11444=1 Peak 11003 from cnoeabs.peaks (7.42, 1.14, 42.10 ppm; 4.79 A): 3 out of 3 assignments used, quality = 0.91: H GLN 61 + HB3 LEU 62 OK 58 98 - 59 - 6783/3.9=32, 6802/4.5=20...(6) H LEU 62 + HB3 LEU 62 OK 57 57 - 100 - 3.9=100 HE22 GLN 104 + HB3 LEU 62 OK 51 96 - 54 - 10077/3.2=11...(12) Peak 11004 from cnoeabs.peaks (8.19, 1.14, 42.10 ppm; 5.22 A): 0 out of 2 assignments used, low quality = 0.26: H GLN 127 - HB3 LEU 62 OK 26 57 - 46 - ~11006=20, 4.0/1983=9...(8) H LEU 122 - HB3 LEU 62 lone 7 96 - 8 - ~7748=3, ~7749=3 Peak 11005 from cnoeabs.peaks (8.00, 0.68, 23.19 ppm; 4.42 A): 2 out of 3 assignments used, quality = 0.58: H VAL 57 + QD2 LEU 62 OK 39 96 - 41 - 4.1/9319=29...(3) H ILE 129 + QD2 LEU 62 OK 30 100 - 30 - 4.2/11006=23...(5) H LYS 36 - QD2 LEU 62 lone 2 81 - 3 - Peak 11006 from cnoeabs.peaks (7.88, 0.68, 23.19 ppm; 4.81 A): 1 out of 1 assignment used, quality = 0.47: H GLU 128 + QD2 LEU 62 OK 47 81 - 58 - 3.2/2004=14...(12) Peak 11007 from cnoeabs.peaks (7.15, 0.68, 23.19 ppm; 4.81 A): 0 out of 2 assignments used, low quality = 0.15: HD2 HIS 67 - QD2 LEU 62 OK 15 92 - 17 - 6.2/10990=13, 10044/3270=4 QD TYR 72 - QD2 LEU 62 lone 7 100 - 7 - ~9517=3, 6870/10990=2 Peak 11008 from cnoeabs.peaks (8.28, 0.68, 23.19 ppm; 4.66 A): 4 out of 4 assignments used, quality = 0.67: H LEU 43 + QD2 LEU 62 OK 38 98 - 39 - 10940/3.1=10, 6508/2.1=8...(7) H VAL 126 + QD2 LEU 62 OK 21 87 - 24 - 3.5/2004=12, 7789/3.9=4...(5) H GLU 40 + QD2 LEU 62 OK 17 96 - 18 - 6458/3.9=4, 2.8/1998=3...(7) H SER 99 + QD2 LEU 62 OK 17 81 - 21 - 3.4/7400=10, 7377/2.1=2...(6) Peak 11009 from cnoeabs.peaks (0.59, 3.37, 66.55 ppm; 4.74 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11010 from cnoeabs.peaks (2.22, 0.91, 22.96 ppm; 4.30 A): 3 out of 8 assignments used, quality = 0.88: HB3 GLN 104 + QG2 VAL 63 OK 72 99 - 72 - ~9400=16, 3.0/11440=14...(12) HB3 GLN 127 + QG2 VAL 63 OK 46 99 - 46 - 11610=12, 4050/3.7=9...(8) HB3 GLU 128 + QG2 VAL 63 OK 22 100 - 22 - 11626/2.1=11, ~9400=3...(7) HB2 GLN 68 - QG2 VAL 63 lone 8 92 - 9 - ~11019=3, 2065/9418=1 HB3 GLU 102 - QG2 VAL 63 lone 5 92 - 6 - 7494/11811=1 HG2 GLN 68 - QG2 VAL 63 lone 3 81 - 4 - HG2 GLU 91 - QG2 VAL 63 lone 3 98 - 3 - HB3 GLU 97 - QG2 VAL 63 lone 2 73 - 3 - 11717/11722=2 Peak 11011 from cnoeabs.peaks (2.20, 0.78, 21.57 ppm; 4.28 A): 0 out of 3 assignments used, low quality = 0.14: HB2 GLN 101 - QG1 VAL 63 OK 14 87 - 16 - 4.0/11398=6, 4.7/10068=3...(4) HB VAL 133 - QG1 VAL 63 lone 5 57 - 8 - 2.1/11679=5 HB2 GLN 82 - QG1 VAL 63 lone 2 99 - 2 - Peak 11012 from cnoeabs.peaks (1.14, 0.91, 22.96 ppm; 3.95 A): 1 out of 4 assignments used, quality = 0.67: HB3 LEU 62 + QG2 VAL 63 OK 67 98 - 69 - 6807/3.7=17, 1987=14...(13) QG2 VAL 132 - QG2 VAL 63 lone 8 98 - 9 - 6807/3.7=4 QG2 THR 115 - QG2 VAL 63 lone 4 81 - 4 - 4.0/11811=2 HG2 LYS 39 - QG2 VAL 63 lone 1 81 - 1 - Peak 11013 from cnoeabs.peaks (2.79, 2.02, 31.71 ppm; 5.30 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11014 from cnoeabs.peaks (1.36, 0.78, 21.57 ppm; 4.43 A): 0 out of 2 assignments used, low quality = 0.28: HG2 LYS 19 - QG1 VAL 63 OK 28 98 - 28 - 3.0/11016=23, 4.2/10753=4 QB ALA 12 - QG1 VAL 63 lone 5 99 - 5 - ~6076=3, 11617/10407=1 Peak 11015 from cnoeabs.peaks (1.55, 0.78, 21.57 ppm; 5.03 A): 2 out of 3 assignments used, quality = 0.83: HG LEU 103 + QG1 VAL 63 OK 76 99 - 76 - ~11720=23, ~11708=18...(16) HG13 ILE 37 + QG1 VAL 63 OK 30 81 - 37 - 5.0/2032=6, ~2024=4...(15) HB2 LEU 119 - QG1 VAL 63 lone 2 65 - 3 - Peak 11016 from cnoeabs.peaks (1.80, 0.78, 21.57 ppm; 4.38 A): 0 out of 5 assignments used, low quality = 0.27: HB3 LYS 19 - QG1 VAL 63 OK 27 81 - 34 - 3.0/11014=26...(3) HB3 LYS 31 - QG1 VAL 63 lone 4 81 - 5 - 263/11014=2, 4.6/6356=2 HB3 LEU 123 - QG1 VAL 63 lone 4 49 - 8 - 1.8/11571=5, 3.9/7747=1 HB3 LYS 24 - QG1 VAL 63 lone 2 65 - 3 - 263/11014=2 HB2 ARG 84 - QG1 VAL 63 lone 1 96 - 1 - Peak 11017 from cnoeabs.peaks (0.63, 0.78, 21.57 ppm; 4.15 A): 0 out of 1 assignment used, low quality = 0.00: QD1 LEU 42 - QG1 VAL 63 lone 2 81 - 3 - Peak 11018 from cnoeabs.peaks (3.63, 3.37, 66.55 ppm; 5.65 A): 2 out of 2 assignments used, quality = 0.91: HA3 GLY 66 + HA VAL 63 OK 77 100 - 77 - 3.6/6860=47, 2.9/6848=43...(5) HA2 GLY 66 + HA VAL 63 OK 63 87 - 73 - 3.6/6860=47, 2.9/6848=43...(4) Peak 11019 from cnoeabs.peaks (3.99, 0.78, 21.57 ppm; 4.54 A): 4 out of 4 assignments used, quality = 0.48: HA VAL 20 + QG1 VAL 63 OK 20 96 - 20 - 339/2.1=4, 3.2/2031=3...(9) HA SER 50 + QG1 VAL 63 OK 16 99 - 16 - 3.0/11699=7, 9217/2.1=3...(4) HB2 SER 124 + QG1 VAL 63 OK 15 100 - 15 - 1.8/10373=9, 9217/2.1=2 HA GLN 68 + QG1 VAL 63 OK 11 100 - 11 - 3.6/11056=4...(4) Peak 11020 from cnoeabs.peaks (4.06, 0.78, 21.57 ppm; 5.04 A): 3 out of 3 assignments used, quality = 0.77: HB THR 65 + QG1 VAL 63 OK 52 99 - 52 - 2.1/9431=20, 4.0/9416=14...(7) HB2 SER 74 + QG1 VAL 63 OK 31 96 - 32 - 11131/2.1=9, 11130=8...(6) HB3 SER 74 + QG1 VAL 63 OK 30 92 - 32 - 11131/2.1=9, 11130=7...(5) Peak 11021 from cnoeabs.peaks (7.16, 4.46, 57.70 ppm; 4.93 A): 0 out of 1 assignment used, low quality = 0.38: HD2 HIS 67 - HA ASP 64 OK 38 65 - 57 - 4.0/2046=30, 4.0/2045=28 Peak 11023 from cnoeabs.peaks (2.30, 3.97, 66.53 ppm; 4.95 A): 0 out of 1 assignment used, low quality = 0.34: HB3 GLN 101 - HA THR 65 OK 34 100 - 34 - 2.9/11394=18, ~10050=18 Peak 11024 from cnoeabs.peaks (2.29, 1.23, 22.77 ppm; 4.39 A): 0 out of 3 assignments used, low quality = 0.00: HG2 GLU 30 - QG2 THR 65 lone 1 100 - 1 - HG2 GLN 61 - QG2 THR 65 lone 1 92 - 1 - HB VAL 132 - QG2 THR 65 lone 1 87 - 1 - Peak 11025 from cnoeabs.peaks (1.56, 1.23, 22.77 ppm; 3.90 A): 0 out of 3 assignments used, low quality = 0.20: HG LEU 103 - QG2 THR 65 OK 20 87 - 24 - 2.1/9431=13...(4) HG13 ILE 37 - QG2 THR 65 lone 9 100 - 9 - 2.1/9431=7, 3400/9431=1 HG LEU 123 - QG2 THR 65 lone 7 92 - 8 - 3.0/9442=2, 3937/10997=2 Peak 11026 from cnoeabs.peaks (1.77, 1.23, 22.77 ppm; 4.01 A): 0 out of 1 assignment used, low quality = 0.00: HB2 LYS 39 - QG2 THR 65 lone 1 87 - 1 - Peak 11027 from cnoeabs.peaks (3.86, 1.23, 22.77 ppm; 4.64 A): 0 out of 1 assignment used, low quality = 0.00: HD2 PRO 117 - QG2 THR 65 lone 8 96 - 9 - 11423/11025=5, 9209/9430=3 Peak 11028 from cnoeabs.peaks (3.62, 1.23, 22.77 ppm; 5.59 A): 0 out of 1 assignment used, low quality = 0.00: HD2 PRO 58 - QG2 THR 65 lone 3 98 - 3 - Peak 11029 from cnoeabs.peaks (7.89, 1.23, 22.77 ppm; 5.75 A): 0 out of 3 assignments used, low quality = 0.24: H GLU 128 - QG2 THR 65 OK 24 100 - 24 - 7843/3.2=8, 3.6/2074=6...(4) H GLN 104 - QG2 THR 65 poor 10 57 - 17 - 3.9/9443=7, 7489/11025=3 H ALA 41 - QG2 THR 65 lone 4 92 - 5 - 6469/10997=1 Peak 11030 from cnoeabs.peaks (8.66, 1.23, 22.77 ppm; 5.52 A): 2 out of 4 assignments used, quality = 0.98: H SER 50 + QG2 THR 65 OK 93 100 - 93 - 3.6/9200=41, 9212=33...(15) H HIS 67 + QG2 THR 65 OK 70 96 - 73 - 6864/4.4=29, 4.0/9475=26...(11) H SER 60 - QG2 THR 65 OK 10 87 - 12 - 4.6/2077=3, 6736/4.4=3 H HIS 8 - QG2 THR 65 lone 7 98 - 7 - 1543/9200=1, 6845/4.0=1 Peak 11031 from cnoeabs.peaks (0.59, 3.63, 47.55 ppm; 5.47 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11033 from cnoeabs.peaks (0.89, 3.63, 47.55 ppm; 5.14 A): 4 out of 8 assignments used, quality = 0.47: QD2 LEU 123 + HA3 GLY 66 OK 20 87 - 23 - ~10351=14, 11422/9208=4...(4) QG2 VAL 20 + HA3 GLY 66 OK 13 100 - 13 - 9433/2.9=12 QD1 LEU 22 + HA3 GLY 66 OK 13 96 - 14 - 9433/2.9=13 QG1 VAL 118 + HA3 GLY 66 OK 12 65 - 18 - 9433/2.9=17 QD2 LEU 123 - HA2 GLY 66 poor 9 44 - 21 - ~10351=14, 11422/9208=4 QG2 VAL 20 - HA2 GLY 66 poor 8 57 - 13 - 9433/2.9=12 QD1 LEU 22 - HA2 GLY 66 poor 7 51 - 14 - 9433/2.9=13 QG1 VAL 118 - HA2 GLY 66 poor 6 31 - 18 - 9433/2.9=17 Peak 11034 from cnoeabs.peaks (8.28, 4.22, 58.98 ppm; 4.47 A): 0 out of 3 assignments used, low quality = 0.22: H GLU 40 - HA HIS 67 OK 22 98 - 23 - 3.6/2095=10, 6449/3.0=8...(4) H ASP 131 - HA HIS 67 poor 9 81 - 12 - 3.3/2099=4, 7894/11605=2...(4) H LEU 96 - HA HIS 67 lone 5 98 - 5 - 11355/11104=2 Peak 11035 from cnoeabs.peaks (8.88, 4.22, 58.98 ppm; 5.60 A): 0 out of 1 assignment used, low quality = 0.00: H THR 83 - HA HIS 67 lone 2 100 - 2 - Peak 11036 from cnoeabs.peaks (2.22, 4.22, 58.98 ppm; 4.14 A): 2 out of 6 assignments used, quality = 0.55: HB2 GLN 68 + HA HIS 67 OK 42 100 - 42 - 2131/3.6=25, 4.4/6916=12...(5) HB3 GLN 127 + HA HIS 67 OK 22 81 - 27 - 3.0/11605=15, 6887/3.6=4...(5) HB3 GLU 97 - HA HIS 67 lone 8 98 - 8 - 6887/3.6=2, 2120/4.9=2 HB3 GLN 104 - HA HIS 67 lone 7 98 - 7 - 6887/3.6=2, 2120/4.9=2 HB3 GLU 128 - HA HIS 67 lone 7 87 - 8 - 6887/3.6=2, 2120/4.9=2...(4) HG2 GLU 91 - HA HIS 67 lone 6 73 - 7 - 1.8/9915=2, 9916=1...(4) Peak 11039 from cnoeabs.peaks (8.44, 3.99, 58.83 ppm; 4.95 A): 0 out of 4 assignments used, low quality = 0.10: H ASN 13 - HA GLN 68 OK 10 92 - 11 - 4.1/2129=6, 11120/2128=3 H ALA 12 - HA GLN 68 lone 5 98 - 5 - 11120/2128=3 H ASN 116 - HA GLN 68 lone 3 92 - 3 - 11120/2128=1 H VAL 93 - HA GLN 68 lone 2 81 - 3 - 9926/3.7=1 Peak 11040 from cnoeabs.peaks (1.38, 3.99, 58.83 ppm; 5.30 A): 0 out of 14 assignments used, low quality = 0.40: HB2 LEU 96 - HA GLN 68 OK 19 100 - 19 - 3069/3.7=6, 1.8/2122=3...(6) QB ALA 110 - HA GLN 68 OK 15 99 - 15 - 2.9/2126=4, 3.7/2126=2...(5) HB3 LEU 100 - HA GLN 68 OK 12 100 - 13 - ~10030=3, ~10029=3...(6) QB ALA 15 - HA GLN 68 lone 5 99 - 5 - 2.9/2127=2 HG2 LYS 24 - HA GLN 68 lone 4 100 - 4 - 513/4.9=2 QB ALA 109 - HA GLN 68 lone 4 73 - 6 - 3.7/2126=3 HG3 LYS 26 - HA GLN 68 lone 4 100 - 4 - HB2 LEU 42 - HA GLN 68 lone 4 99 - 4 - 10264/10270=2 QB ALA 29 - HA GLN 68 lone 4 100 - 4 - 10264/10270=1 QB ALA 28 - HA GLN 68 lone 3 98 - 3 - QB ALA 108 - HA GLN 68 lone 3 96 - 3 - HG2 LYS 36 - HA GLN 68 lone 2 100 - 2 - HG3 LYS 95 - HA GLN 68 lone 2 92 - 2 - HG2 LYS 95 - HA GLN 68 lone 2 81 - 2 - Peak 11041 from cnoeabs.peaks (1.22, 2.32, 33.86 ppm; 4.98 A): 0 out of 1 assignment used, low quality = 0.13: HG12 ILE 80 - HG3 GLN 68 OK 13 73 - 17 - 9479/1.8=16 Peak 11048 from cnoeabs.peaks (0.88, 2.18, 28.25 ppm; 4.63 A): 0 out of 3 assignments used, low quality = 0.29: QD2 LEU 69 - HB3 GLN 68 OK 29 81 - 36 - 4.9/6920=27, ~11049=11 QD2 LEU 98 - HB3 GLN 68 lone 7 100 - 7 - 3199/4.4=5 QD2 LEU 123 - HB3 GLN 68 lone 3 73 - 4 - 10349/3.0=1, ~11772=1 Peak 11049 from cnoeabs.peaks (1.67, 2.23, 33.86 ppm; 5.98 A): 0 out of 4 assignments used, low quality = 0.39: HB2 LEU 69 - HG2 GLN 68 OK 39 96 - 41 - 3.7/6921=23, ~11048=21 HD3 LYS 36 - HG2 GLN 68 lone 3 98 - 3 - 6926/6921=1 HD2 LYS 36 - HG2 GLN 68 lone 3 98 - 3 - 6926/6921=1 HD2 LYS 39 - HG2 GLN 68 lone 2 92 - 3 - Peak 11050 from cnoeabs.peaks (2.81, 2.23, 33.86 ppm; 5.87 A): 2 out of 5 assignments used, quality = 0.55: HB3 ASP 71 + HG2 GLN 68 OK 50 98 - 51 - 2129/3.7=34, 1.8/11119=23 HB2 ASN 13 + HG2 GLN 68 OK 10 98 - 11 - 2129/3.7=7, 2288/11119=1 HB3 ASP 64 - HG2 GLN 68 lone 1 65 - 2 - HB3 ASN 120 - HG2 GLN 68 lone 1 57 - 2 - HB2 ASN 120 - HG2 GLN 68 lone 1 57 - 2 - Peak 11054 from cnoeabs.peaks (7.14, 4.33, 58.25 ppm; 4.81 A): 2 out of 2 assignments used, quality = 0.50: QD TYR 72 + HA LEU 69 OK 43 73 - 59 - 4.5/6973=27...(8) HE22 GLN 134 + HA LEU 69 OK 13 73 - 17 - 11080/3.9=16 Peak 11055 from cnoeabs.peaks (6.79, 4.33, 58.25 ppm; 6.80 A): 0 out of 1 assignment used, low quality = 0.12: HE21 GLN 101 - HA LEU 69 OK 12 87 - 14 - 10057/3.9=8, 10057/2174=3 Peak 11057 from cnoeabs.peaks (0.80, 4.33, 58.25 ppm; 5.25 A): 0 out of 4 assignments used, low quality = 0.44: QD2 LEU 49 - HA LEU 69 OK 26 92 - 28 - 1572/2.9=6, 5.0/2168=5...(6) QD1 LEU 53 - HA LEU 69 OK 24 73 - 33 - 3.1/2172=10, ~2185=7...(5) QD1 LEU 122 - HA LEU 69 lone 5 92 - 5 - ~11059=2, ~11056=1 QD2 LEU 119 - HA LEU 69 lone 3 100 - 3 - Peak 11059 from cnoeabs.peaks (0.78, 2.16, 40.48 ppm; 5.73 A): 4 out of 5 assignments used, quality = 0.66: QD1 ILE 37 + HB3 LEU 69 OK 41 92 - 45 - 11061/3.0=18...(5) QD1 ILE 32 + HB3 LEU 69 OK 23 81 - 29 - 11061/3.0=10...(6) QD1 LEU 103 + HB3 LEU 69 OK 15 99 - 15 - 11056/3.7=5, 11061/3.0=5 QG1 VAL 63 + HB3 LEU 69 OK 12 100 - 12 - 11056/3.7=6, 11061/3.0=4 QD2 LEU 122 - HB3 LEU 69 lone 8 98 - 8 - ~11057=2, 11056/3.7=2 Peak 11060 from cnoeabs.peaks (1.34, 0.87, 28.07 ppm; 4.02 A): 2 out of 2 assignments used, quality = 0.80: QB ALA 46 + QD2 LEU 69 OK 78 99 - 78 - 2.1/9174=27, 9182/2.1=26...(12) QB ALA 21 + QD2 LEU 69 OK 10 99 - 10 - 11063/2.1=2, 2.9/2215=1...(4) Peak 11061 from cnoeabs.peaks (0.78, 0.87, 28.07 ppm; 3.12 A): 0 out of 6 assignments used, low quality = 0.32: QD1 ILE 37 - QD2 LEU 69 OK 22 100 - 22 - 10918/3.0=6, 11064/2.1=5...(6) QD1 ILE 32 - QD2 LEU 69 OK 13 98 - 13 - 11064/2.1=3...(5) QD1 LEU 96 - QD2 LEU 69 poor 8 73 - 11 - 11064/2.1=7, ~11694=2 QD1 LEU 103 - QD2 LEU 69 lone 6 99 - 6 - 11056/4.9=1, 11059/3.0=1 QG1 VAL 63 - QD2 LEU 69 lone 5 98 - 5 - 11056/4.9=1, 11626/11625=1 QD2 LEU 122 - QD2 LEU 69 lone 2 81 - 2 - Peak 11062 from cnoeabs.peaks (0.64, 0.87, 28.07 ppm; 3.99 A): 1 out of 1 assignment used, quality = 0.61: QD1 ILE 129 + QD2 LEU 69 OK 61 98 - 62 - 11065/2.1=39...(7) Peak 11063 from cnoeabs.peaks (1.33, 1.01, 23.30 ppm; 3.51 A): 1 out of 2 assignments used, quality = 0.49: QB ALA 46 + QD1 LEU 69 OK 49 65 - 75 - 3.1/11083=22...(12) QB ALA 21 - QD1 LEU 69 lone 5 65 - 7 - 11060/2.1=2, 2.9/2207=1 Peak 11064 from cnoeabs.peaks (0.77, 1.01, 23.30 ppm; 3.66 A): 3 out of 4 assignments used, quality = 0.59: QD1 LEU 96 + QD1 LEU 69 OK 35 100 - 35 - 11067/2.1=19...(8) QD1 ILE 37 + QD1 LEU 69 OK 25 87 - 29 - 11061/2.1=10...(9) QD1 ILE 32 + QD1 LEU 69 OK 16 96 - 16 - 11061/2.1=6, 11056/4.3=3...(6) QD1 LEU 103 - QD1 LEU 69 lone 5 65 - 8 - 11061/2.1=3, 11056/4.3=2 Peak 11065 from cnoeabs.peaks (0.65, 1.01, 23.30 ppm; 3.53 A): 0 out of 1 assignment used, low quality = 0.40: QD1 ILE 129 - QD1 LEU 69 OK 40 87 - 47 - 11062/2.1=27...(6) Peak 11066 from cnoeabs.peaks (0.55, 1.01, 23.30 ppm; 3.42 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11067 from cnoeabs.peaks (0.77, 1.51, 27.00 ppm; 3.92 A): 0 out of 1 assignment used, low quality = 0.16: QD1 LEU 96 - HG LEU 69 OK 16 87 - 19 - 11064/2.1=10...(3) Peak 11069 from cnoeabs.peaks (2.08, 1.01, 23.30 ppm; 4.43 A): 4 out of 7 assignments used, quality = 0.50: HB2 GLU 128 + QD1 LEU 69 OK 25 99 - 25 - ~11625=24 HG3 GLN 134 + QD1 LEU 69 OK 17 100 - 17 - 3.5/11080=16 HB3 LYS 39 + QD1 LEU 69 OK 11 96 - 11 - 3.6/2209=3, 1166/3.2=2...(6) HB VAL 57 + QD1 LEU 69 OK 10 81 - 13 - 2.1/2213=2, 1800/2.1=2...(7) HB2 GLU 102 - QD1 LEU 69 lone 5 100 - 5 - 4.6/11417=2, 3.8/10065=1 HB3 GLU 44 - QD1 LEU 69 lone 2 92 - 2 - 7969/11080=1 HB3 GLN 82 - QD1 LEU 69 lone 1 65 - 1 - Peak 11070 from cnoeabs.peaks (1.99, 0.87, 28.07 ppm; 5.28 A): 2 out of 4 assignments used, quality = 0.69: HB3 LEU 53 + QD2 LEU 69 OK 61 96 - 64 - 1.8/2219=14, 1656/2.1=14...(10) HB2 GLU 91 + QD2 LEU 69 OK 21 92 - 23 - 3.0/9912=11, 3.0/9913=10 HG2 PRO 81 - QD2 LEU 69 lone 5 65 - 8 - 11697/11773=3, 3.8/2216=3 HB2 GLU 55 - QD2 LEU 69 lone 5 100 - 5 - 11697/11773=1 Peak 11071 from cnoeabs.peaks (2.94, 1.01, 23.30 ppm; 3.51 A): 2 out of 4 assignments used, quality = 0.67: HB2 CYS 45 + QD1 LEU 69 OK 58 100 - 58 - 1.8/11072=16...(7) HG CYS 73 + QD1 LEU 69 OK 22 92 - 24 - 3.4/11073=13...(3) HD2 ARG 135 - QD1 LEU 69 lone 4 98 - 4 - 1448/11072=1, 6555/11083=1 HB3 ASN 116 - QD1 LEU 69 lone 1 73 - 1 - Peak 11072 from cnoeabs.peaks (3.13, 1.01, 23.30 ppm; 4.89 A): 2 out of 3 assignments used, quality = 0.87: HB3 CYS 45 + QD1 LEU 69 OK 86 100 - 86 - 9158/3.2=34...(9) HB3 TYR 76 + QD1 LEU 69 OK 11 100 - 11 - 9635/9084=4...(3) HB2 HIS 8 - QD1 LEU 69 lone 2 96 - 2 - Peak 11073 from cnoeabs.peaks (3.33, 1.01, 23.30 ppm; 5.10 A): 1 out of 2 assignments used, quality = 0.46: HB3 CYS 73 + QD1 LEU 69 OK 46 87 - 54 - 3.8/11084=30...(8) HB3 PHE 89 - QD1 LEU 69 lone 5 87 - 5 - 9494/3.2=2 Peak 11074 from cnoeabs.peaks (3.47, 1.01, 23.30 ppm; 4.85 A): 2 out of 2 assignments used, quality = 0.47: HA ILE 129 + QD1 LEU 69 OK 36 96 - 38 - 4.2/11065=35...(3) HA LEU 42 + QD1 LEU 69 OK 17 57 - 30 - 4.1/9084=11, 3.7/9078=11...(7) Peak 11075 from cnoeabs.peaks (3.89, 1.01, 23.30 ppm; 4.36 A): 3 out of 7 assignments used, quality = 0.92: HA ALA 46 + QD1 LEU 69 OK 71 81 - 88 - 2.1/11063=41...(9) HA LEU 70 + QD1 LEU 69 OK 58 81 - 72 - 4.9/2208=18, 2.9/6944=17...(11) HB3 SER 50 + QD1 LEU 69 OK 37 100 - 37 - ~11773=23, 11076/2.1=10, ~1594=5 HA LYS 86 - QD1 LEU 69 lone 5 100 - 5 - 6989/11084=1 HA2 GLY 2 - QD1 LEU 69 lone 2 92 - 2 - HA3 GLY 2 - QD1 LEU 69 lone 2 92 - 2 - HA2 GLY 114 - QD1 LEU 69 lone 2 87 - 2 - Peak 11076 from cnoeabs.peaks (3.89, 0.87, 28.07 ppm; 4.15 A): 2 out of 6 assignments used, quality = 0.88: HA ALA 46 + QD2 LEU 69 OK 82 96 - 86 - 9174=35, 2.1/11060=33...(10) HB3 SER 50 + QD2 LEU 69 OK 34 98 - 35 - 1.8/11773=25...(3) HA LYS 86 - QD2 LEU 69 lone 3 96 - 3 - HA3 GLY 2 - QD2 LEU 69 lone 2 99 - 2 - HA2 GLY 2 - QD2 LEU 69 lone 2 99 - 2 - HA2 GLY 114 - QD2 LEU 69 lone 1 65 - 1 - Peak 11077 from cnoeabs.peaks (3.44, 0.87, 28.07 ppm; 5.53 A): 0 out of 2 assignments used, low quality = 0.33: HA VAL 126 - QD2 LEU 69 OK 33 96 - 35 - 10402/11062=14...(7) HA VAL 77 - QD2 LEU 69 lone 1 57 - 2 - Peak 11078 from cnoeabs.peaks (2.93, 0.87, 28.07 ppm; 4.87 A): 3 out of 4 assignments used, quality = 0.71: HE3 LYS 39 + QD2 LEU 69 OK 40 100 - 40 - 11079/2.1=14, ~11079=10...(12) HE2 LYS 39 + QD2 LEU 69 OK 38 96 - 39 - 11079/2.1=13, ~11079=10...(12) HG CYS 73 + QD2 LEU 69 OK 22 65 - 34 - ~11073=18, 11079/2.1=10...(4) HB3 ASN 116 - QD2 LEU 69 lone 2 87 - 3 - Peak 11079 from cnoeabs.peaks (2.93, 1.51, 27.00 ppm; 4.93 A): 3 out of 4 assignments used, quality = 0.73: HE3 LYS 39 + HG LEU 69 OK 40 100 - 40 - 11078/2.1=15, ~11078=11...(11) HE2 LYS 39 + HG LEU 69 OK 37 96 - 39 - 11078/2.1=14, ~11078=11...(11) HG CYS 73 + HG LEU 69 OK 28 65 - 43 - ~11073=18, 5.2/9562=18...(4) HB3 ASN 116 - HG LEU 69 lone 2 87 - 2 - Peak 11080 from cnoeabs.peaks (7.14, 1.01, 23.30 ppm; 4.13 A): 0 out of 2 assignments used, low quality = 0.35: HE22 GLN 134 - QD1 LEU 69 OK 20 87 - 22 - 3.5/11069=6, 11054/3.9=5...(7) QD TYR 72 - QD1 LEU 69 OK 19 57 - 33 - 11054/3.9=16...(5) Peak 11081 from cnoeabs.peaks (6.81, 1.01, 23.30 ppm; 6.47 A): 1 out of 2 assignments used, quality = 0.59: QE TYR 72 + QD1 LEU 69 OK 59 96 - 62 - 2.2/11080=24...(7) HE21 GLN 127 - QD1 LEU 69 lone 6 65 - 9 - 9144/11071=5, 9025/11064=1 Peak 11082 from cnoeabs.peaks (7.70, 1.01, 23.30 ppm; 5.26 A): 0 out of 1 assignment used, low quality = 0.20: H LYS 95 - QD1 LEU 69 OK 20 87 - 23 - 9979/2.1=8, 9532/11081=7...(4) Peak 11083 from cnoeabs.peaks (8.53, 1.01, 23.30 ppm; 4.01 A): 1 out of 3 assignments used, quality = 0.80: H ALA 46 + QD1 LEU 69 OK 80 96 - 83 - 3.1/11063=30...(11) H HIS 5 - QD1 LEU 69 lone 3 99 - 3 - H HIS 4 - QD1 LEU 69 lone 0 65 - 1 - Peak 11084 from cnoeabs.peaks (8.85, 1.01, 23.30 ppm; 5.09 A): 1 out of 1 assignment used, quality = 0.79: H CYS 73 + QD1 LEU 69 OK 79 99 - 80 - 9563=32, 9562/2.1=30...(11) Peak 11085 from cnoeabs.peaks (8.55, 0.87, 28.07 ppm; 4.92 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11086 from cnoeabs.peaks (7.13, 0.87, 28.07 ppm; 6.80 A): 0 out of 1 assignment used, low quality = 0.00: HE22 GLN 134 - QD2 LEU 69 lone 5 73 - 7 - 9024/11061=2, 11080/2.1=2 Peak 11087 from cnoeabs.peaks (4.34, 0.75, 22.33 ppm; 6.00 A): 0 out of 5 assignments used, low quality = 0.30: HA ASN 59 - QD2 LEU 43 OK 18 87 - 20 - 9360/11089=9...(4) HA PRO 81 - QD2 LEU 43 OK 15 98 - 15 - 3.8/9127=4, 3.6/11805=4...(5) HA LYS 24 - QD2 LEU 43 lone 4 92 - 4 - HA ASP 47 - QD2 LEU 43 lone 3 98 - 3 - HA LEU 69 - QD2 LEU 43 lone 2 65 - 3 - Peak 11088 from cnoeabs.peaks (1.36, 0.75, 22.33 ppm; 3.47 A): 0 out of 2 assignments used, low quality = 0.11: HG2 LYS 19 - QD2 LEU 43 OK 11 73 - 15 - 3.0/1387=3, 3.0/1387=3...(5) QB ALA 12 - QD2 LEU 43 lone 2 98 - 2 - 10498/11091=2 Peak 11089 from cnoeabs.peaks (1.15, 0.75, 22.33 ppm; 3.94 A): 2 out of 3 assignments used, quality = 0.56: HB3 LEU 62 + QD2 LEU 43 OK 44 65 - 68 - 1.8/9127=17...(17) HG3 LYS 39 + QD2 LEU 43 OK 21 98 - 22 - 4.0/9123=7, ~11806=5...(5) HG12 ILE 32 - QD2 LEU 43 lone 3 65 - 4 - 10567/11090=1 Peak 11090 from cnoeabs.peaks (1.04, 0.75, 22.33 ppm; 3.36 A): 0 out of 1 assignment used, low quality = 0.44: QG2 VAL 133 - QD2 LEU 43 OK 44 99 - 44 - 2.1/9128=25, ~11677=18...(7) Peak 11091 from cnoeabs.peaks (8.03, 0.75, 22.33 ppm; 4.94 A): 2 out of 6 assignments used, quality = 0.84: H SER 130 + QD2 LEU 43 OK 80 99 - 80 - 3.9/10509=29...(17) H CYS 125 + QD2 LEU 43 OK 23 57 - 40 - 3.6/11588=21, ~11591=6...(6) H ALA 16 - QD2 LEU 43 lone 6 98 - 6 - 10674/10995=1, 10562/11090=1 H TYR 76 - QD2 LEU 43 lone 5 57 - 8 - 10562/11090=4 H CYS 79 - QD2 LEU 43 lone 4 57 - 8 - 10562/11090=3 H ALA 52 - QD2 LEU 43 lone 4 92 - 4 - Peak 11092 from cnoeabs.peaks (8.16, 0.75, 22.33 ppm; 4.61 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11093 from cnoeabs.peaks (8.51, 0.75, 22.33 ppm; 5.05 A): 0 out of 1 assignment used, low quality = 0.00: H HIS 4 - QD2 LEU 43 lone 1 57 - 1 - Peak 11096 from cnoeabs.peaks (7.14, 0.82, 25.52 ppm; 4.04 A): 0 out of 2 assignments used, low quality = 0.31: HD2 HIS 67 - QD1 LEU 70 OK 18 65 - 28 - 4.7/9462=12, 11098/2.1=9...(5) QD TYR 72 - QD1 LEU 70 OK 15 92 - 16 - 4.5/9523=9, 11098/2.1=4...(4) Peak 11097 from cnoeabs.peaks (7.70, 0.82, 25.52 ppm; 5.17 A): 0 out of 1 assignment used, low quality = 0.41: H LYS 95 - QD1 LEU 70 OK 41 96 - 43 - 3.1/11099=16, ~11355=13...(7) Peak 11098 from cnoeabs.peaks (7.15, 0.86, 25.01 ppm; 4.92 A): 2 out of 2 assignments used, quality = 0.52: HD2 HIS 67 + QD2 LEU 70 OK 41 100 - 42 - 11096/2.1=13...(4) QD TYR 72 + QD2 LEU 70 OK 18 98 - 18 - 11096/2.1=11...(4) Peak 11099 from cnoeabs.peaks (8.26, 0.82, 25.52 ppm; 3.87 A): 2 out of 4 assignments used, quality = 0.63: H ASP 131 + QD1 LEU 70 OK 46 87 - 53 - 10513=15, 3.6/11101=14...(11) H LEU 96 + QD1 LEU 70 OK 33 57 - 57 - 3.8/11110=27...(6) H LEU 123 - QD1 LEU 70 lone 6 92 - 6 - 4.3/2264=2 H GLU 30 - QD1 LEU 70 lone 2 99 - 2 - Peak 11101 from cnoeabs.peaks (3.78, 0.82, 25.52 ppm; 3.53 A): 0 out of 3 assignments used, low quality = 0.41: HA SER 130 - QD1 LEU 70 OK 26 96 - 27 - 3.6/11099=11, 11746=7...(5) HB3 SER 130 - QD1 LEU 70 OK 21 96 - 22 - 4.6/11099=8, 3.0/11746=6...(6) HA LEU 43 - QD1 LEU 70 lone 3 98 - 3 - 10036/9487=2 Peak 11102 from cnoeabs.peaks (4.21, 0.82, 25.52 ppm; 3.79 A): 3 out of 5 assignments used, quality = 0.58: HA HIS 67 + QD1 LEU 70 OK 38 73 - 52 - 9462=16, 11104/2.1=12...(10) HA SER 99 + QD1 LEU 70 OK 21 73 - 29 - 11104/2.1=8, ~11380=4...(10) HA SER 51 + QD1 LEU 70 OK 15 81 - 19 - ~11918=6, 11104/2.1=6...(6) HA ALA 88 - QD1 LEU 70 lone 3 87 - 3 - 3.6/9868=2 HB THR 25 - QD1 LEU 70 lone 1 73 - 2 - Peak 11103 from cnoeabs.peaks (3.77, 0.86, 25.01 ppm; 3.74 A): 4 out of 4 assignments used, quality = 0.72: HA GLU 97 + QD2 LEU 70 OK 50 92 - 55 - 3.0/11109=24...(7) HA VAL 133 + QD2 LEU 70 OK 21 100 - 21 - 3.0/2275=4, 10565/4.9=3...(9) HB2 SER 99 + QD2 LEU 70 OK 17 73 - 24 - 3.0/11104=7, ~11102=4...(8) HB3 SER 130 + QD2 LEU 70 OK 15 81 - 18 - ~11101=8, ~11746=4...(5) Peak 11104 from cnoeabs.peaks (4.21, 0.86, 25.01 ppm; 4.38 A): 3 out of 4 assignments used, quality = 0.80: HA HIS 67 + QD2 LEU 70 OK 57 92 - 62 - 9462/2.1=23, 2099/4.9=15...(8) HA SER 99 + QD2 LEU 70 OK 38 92 - 42 - 11102/2.1=11, 2.9/7380=7...(11) HA SER 51 + QD2 LEU 70 OK 26 96 - 27 - 3.0/11918=12...(5) HA ALA 88 - QD2 LEU 70 lone 2 65 - 2 - 11102/2.1=1 Peak 11105 from cnoeabs.peaks (2.93, 3.88, 58.34 ppm; 4.71 A): 4 out of 5 assignments used, quality = 0.77: HG CYS 73 + HA LEU 70 OK 53 87 - 61 - 3.4/2233=27, 3.4/2232=22...(6) HE2 LYS 39 + HA LEU 70 OK 24 100 - 24 - 2.9/2226=3, 1222/3.0=3...(12) HE3 LYS 39 + HA LEU 70 OK 23 98 - 24 - 2.9/2226=3, 1233/3.0=3...(12) HD2 ARG 135 + HA LEU 70 OK 14 73 - 19 - ~4356=3, 4348/3.0=2...(6) HB3 ASN 116 - HA LEU 70 lone 3 98 - 3 - Peak 11106 from cnoeabs.peaks (2.24, 3.88, 58.34 ppm; 6.19 A): 2 out of 2 assignments used, quality = 0.55: HB3 LEU 96 + HA LEU 70 OK 50 65 - 76 - 11110/3.8=44...(6) HB2 PRO 81 + HA LEU 70 OK 10 57 - 17 - 10492/11116=7...(3) Peak 11107 from cnoeabs.peaks (3.35, 1.71, 41.52 ppm; 6.38 A): 4 out of 4 assignments used, quality = 0.92: HB2 HIS 67 + HB2 LEU 70 OK 70 81 - 87 - ~2099=27, ~9462=22...(11) HB2 HIS 67 + HB3 LEU 70 OK 56 64 - 88 - ~2099=27, ~9462=22...(12) HB3 TYR 72 + HB2 LEU 70 OK 23 65 - 34 - ~11096=16, 9505/4.3=10...(4) HB3 TYR 72 + HB3 LEU 70 OK 18 50 - 35 - ~11096=16, 9505/4.3=10...(4) Peak 11108 from cnoeabs.peaks (2.81, 1.71, 41.52 ppm; 6.59 A): 4 out of 6 assignments used, quality = 0.91: HB3 ASP 71 + HB2 LEU 70 OK 65 100 - 65 - 6968/4.3=41, 9511/3.2=22...(6) HB3 ASP 71 + HB3 LEU 70 OK 56 86 - 65 - 6968/4.3=41, 9511/3.2=22...(5) HB2 ASN 13 + HB2 LEU 70 OK 25 100 - 24 - ~9490=18, 6968/4.3=5 HB2 ASN 13 + HB3 LEU 70 OK 21 86 - 24 - ~9490=18, 6968/4.3=5 HB3 ASN 85 - HB2 LEU 70 poor 8 65 - 12 - ~9810=2, ~9791=2...(5) HB3 ASN 85 - HB3 LEU 70 poor 6 50 - 12 - ~9810=2, ~9791=2...(4) Peak 11109 from cnoeabs.peaks (2.13, 0.86, 25.01 ppm; 3.78 A): 2 out of 2 assignments used, quality = 0.64: HB2 GLU 97 + QD2 LEU 70 OK 60 98 - 61 - 11111/2.1=30...(6) HB2 PRO 56 + QD2 LEU 70 OK 10 100 - 10 - 11111/2.1=5, 3142/9486=2...(4) Peak 11110 from cnoeabs.peaks (2.24, 0.82, 25.52 ppm; 3.38 A): 1 out of 1 assignment used, quality = 0.50: HB3 LEU 96 + QD1 LEU 70 OK 50 92 - 54 - 3.0/9488=21, 9496/2.1=17...(7) Peak 11111 from cnoeabs.peaks (2.13, 0.82, 25.52 ppm; 3.78 A): 1 out of 2 assignments used, quality = 0.54: HB2 GLU 97 + QD1 LEU 70 OK 54 98 - 55 - 11109/2.1=29...(5) HB2 PRO 56 - QD1 LEU 70 lone 8 100 - 8 - 11109/2.1=5, 3142/9489=2 Peak 11112 from cnoeabs.peaks (2.20, 1.71, 41.52 ppm; 5.89 A): 4 out of 4 assignments used, quality = 0.82: HB2 GLN 101 + HB2 LEU 70 OK 38 96 - 40 - 9491/4.3=11, 9483/3.2=11...(8) HB2 GLN 82 + HB2 LEU 70 OK 36 100 - 36 - 9483/3.2=16, 9491/4.3=13...(5) HB2 GLN 101 + HB3 LEU 70 OK 32 79 - 40 - 9491/4.3=11, 9483/3.2=11...(8) HB2 GLN 82 + HB3 LEU 70 OK 31 87 - 36 - 9483/3.2=16, 9491/4.3=13...(4) Peak 11113 from cnoeabs.peaks (1.38, 1.71, 41.52 ppm; 5.24 A): 3 out of 30 assignments used, quality = 0.98: HB2 LEU 96 + HB2 LEU 70 OK 85 98 - 86 - ~11110=35, ~9496=27...(8) HB2 LEU 96 + HB3 LEU 70 OK 71 83 - 86 - ~11110=35, ~9496=27...(8) HB3 LEU 100 + HB2 LEU 70 OK 54 96 - 56 - ~9487=25, ~11115=24, ~11094=22 HB3 LEU 100 - HB3 LEU 70 OK 44 79 - 56 - ~9487=25, ~11115=24, ~11094=22 QB ALA 29 - HB2 LEU 70 OK 19 98 - 19 - ~10782=8, ~10781=6, 2.1/10782=5 QB ALA 29 - HB3 LEU 70 OK 15 83 - 19 - ~10782=6, ~10781=6, 2.1/10782=6 QB ALA 15 - HB2 LEU 70 OK 13 100 - 12 - ~2230=2, ~2267=2...(7) QB ALA 15 - HB3 LEU 70 OK 11 86 - 12 - ~2230=2, ~2267=2...(7) HG3 LYS 95 - HB2 LEU 70 lone 8 99 - 8 - ~11350=6 HG2 LYS 95 - HB2 LEU 70 lone 8 96 - 8 - ~11350=6 HG3 LYS 95 - HB3 LEU 70 lone 7 85 - 8 - ~11350=6 HG2 LYS 95 - HB3 LEU 70 lone 6 79 - 8 - ~11350=6 QB ALA 28 - HB2 LEU 70 lone 4 100 - 4 - ~6953=2 HG3 LYS 31 - HB2 LEU 70 lone 4 81 - 5 - 842/4.3=2 HB2 LEU 42 - HB2 LEU 70 lone 4 92 - 5 - ~9083=2 QB ALA 28 - HB3 LEU 70 lone 4 87 - 4 - ~6953=2 HG2 LYS 36 - HB2 LEU 70 lone 4 98 - 4 - ~6941=2 HB2 LEU 42 - HB3 LEU 70 lone 4 75 - 5 - ~9083=2 HG3 LYS 31 - HB3 LEU 70 lone 3 64 - 5 - 842/4.3=2 HG2 LYS 36 - HB3 LEU 70 lone 3 83 - 4 - ~6941=2 QB ALA 110 - HB2 LEU 70 lone 3 100 - 3 - QB ALA 110 - HB3 LEU 70 lone 3 86 - 3 - HG2 LYS 24 - HB2 LEU 70 lone 2 96 - 2 - HG3 LYS 26 - HB2 LEU 70 lone 2 99 - 2 - HG2 LYS 24 - HB3 LEU 70 lone 2 79 - 2 - HG3 LYS 26 - HB3 LEU 70 lone 2 85 - 2 - QB ALA 108 - HB2 LEU 70 lone 2 100 - 2 - QB ALA 108 - HB3 LEU 70 lone 1 86 - 2 - QB ALA 109 - HB2 LEU 70 lone 1 92 - 1 - QB ALA 109 - HB3 LEU 70 lone 1 75 - 1 - Peak 11114 from cnoeabs.peaks (1.40, 0.86, 25.01 ppm; 3.49 A): 1 out of 4 assignments used, quality = 0.62: HG LEU 96 + QD2 LEU 70 OK 62 100 - 63 - 9488/2.1=28, 3.0/9496=22...(8) QB ALA 16 - QD2 LEU 70 poor 9 81 - 11 - 9488/2.1=5, ~10668=1...(4) HG3 LYS 31 - QD2 LEU 70 lone 5 81 - 7 - 9488/2.1=1, 3079/9496=1 QB ALA 109 - QD2 LEU 70 lone 1 65 - 1 - Peak 11115 from cnoeabs.peaks (0.60, 0.86, 25.01 ppm; 3.48 A): 1 out of 1 assignment used, quality = 0.49: QD1 LEU 100 + QD2 LEU 70 OK 49 98 - 49 - 9487/2.1=34...(6) Peak 11116 from cnoeabs.peaks (0.65, 3.88, 58.34 ppm; 5.16 A): 1 out of 1 assignment used, quality = 0.45: QD1 ILE 129 + HA LEU 70 OK 45 87 - 52 - 10454/2.9=18...(11) Peak 11117 from cnoeabs.peaks (1.63, 4.42, 57.33 ppm; 5.45 A): 0 out of 4 assignments used, low quality = 0.00: HG LEU 119 - HA ASP 71 poor 8 65 - 12 - ~10294=5, ~10293=4, 10290/3.0=2 HG3 ARG 23 - HA ASP 71 lone 2 92 - 2 - HG3 ARG 84 - HA ASP 71 lone 1 87 - 2 - HG2 ARG 84 - HA ASP 71 lone 1 87 - 2 - Peak 11118 from cnoeabs.peaks (2.21, 2.81, 39.26 ppm; 6.80 A): 0 out of 3 assignments used, low quality = 0.35: HB2 GLN 101 - HB3 ASP 71 OK 22 100 - 22 - 9491/4.0=12...(4) HB2 GLN 82 - HB3 ASP 71 OK 17 92 - 18 - 9491/4.0=13, 11112/11108=1 HB3 GLU 97 - HB3 ASP 71 lone 2 65 - 4 - Peak 11119 from cnoeabs.peaks (2.23, 2.63, 39.26 ppm; 6.63 A): 1 out of 6 assignments used, quality = 0.66: HG2 GLN 68 + HB2 ASP 71 OK 66 99 - 67 - 3.7/2128=45, 11050/1.8=37 HB3 GLU 128 - HB2 ASP 71 poor 8 73 - 11 - 10448/1.8=5...(3) HB3 LEU 96 - HB2 ASP 71 lone 7 98 - 7 - 3081/10848=3, 2122/2128=2 HB3 GLN 127 - HB2 ASP 71 lone 4 81 - 6 - 2122/2128=3 HB3 GLU 102 - HB2 ASP 71 lone 4 96 - 4 - 2122/2128=1 HG2 GLU 91 - HB2 ASP 71 lone 4 87 - 4 - 2122/2128=2 Peak 11120 from cnoeabs.peaks (8.45, 2.63, 39.26 ppm; 6.59 A): 0 out of 3 assignments used, low quality = 0.24: H ALA 12 - HB2 ASP 71 OK 13 99 - 13 - 3.6/2286=5, 11039/2128=4 H ASN 13 - HB2 ASP 71 OK 13 57 - 22 - 11039/2128=8, ~171=5...(4) H ASN 116 - HB2 ASP 71 lone 6 100 - 6 - 11039/2128=2 Peak 11122 from cnoeabs.peaks (0.83, 4.38, 64.37 ppm; 5.07 A): 0 out of 2 assignments used, low quality = 0.39: QG1 VAL 133 - HA CYS 73 OK 32 92 - 35 - 11123/3.6=18...(5) HG13 ILE 80 - HA CYS 73 OK 10 73 - 14 - 9813/9536=6, ~9724=4...(4) Peak 11124 from cnoeabs.peaks (7.39, 4.38, 64.37 ppm; 4.83 A): 0 out of 1 assignment used, low quality = 0.30: QE PHE 89 - HA CYS 73 OK 30 73 - 41 - 2.2/9538=27, 4.5/2322=7...(4) Peak 11125 from cnoeabs.peaks (7.59, 4.38, 64.37 ppm; 4.61 A): 0 out of 2 assignments used, low quality = 0.41: H ASP 78 - HA CYS 73 OK 41 96 - 43 - 7054=11, 4.1/2412=8...(9) HD21 ASN 13 - HA CYS 73 lone 1 57 - 1 - Peak 11126 from cnoeabs.peaks (6.50, 4.38, 64.37 ppm; 5.89 A): 0 out of 1 assignment used, low quality = 0.33: QD TYR 76 - HA CYS 73 OK 33 98 - 34 - ~9627=12, 4.6/11789=10...(4) Peak 11127 from cnoeabs.peaks (1.64, 4.07, 62.61 ppm; 5.40 A): 0 out of 16 assignments used, low quality = 0.32: HG LEU 62 - HB2 SER 74 OK 18 92 - 20 - 2.1/11131=8, 3.7/1970=6 HG LEU 62 - HB3 SER 74 OK 17 90 - 19 - 2.1/11131=7, ~11131=6 HG LEU 43 - HB2 SER 74 lone 5 100 - 5 - 11635/10468=3 HG LEU 43 - HB3 SER 74 lone 5 99 - 5 - 11635/10468=3 HB2 LEU 123 - HB2 SER 74 lone 3 81 - 3 - HB2 LEU 123 - HB3 SER 74 lone 2 79 - 3 - HG2 ARG 84 - HB2 SER 74 lone 1 87 - 2 - HG3 ARG 84 - HB2 SER 74 lone 1 87 - 2 - HG3 ARG 84 - HB3 SER 74 lone 1 85 - 2 - HG2 ARG 84 - HB3 SER 74 lone 1 85 - 2 - HD3 LYS 19 - HB2 SER 74 lone 1 87 - 2 - HD2 LYS 19 - HB2 SER 74 lone 1 87 - 2 - HD3 LYS 19 - HB3 SER 74 lone 1 85 - 2 - HD2 LYS 19 - HB3 SER 74 lone 1 85 - 2 - HB2 LEU 98 - HB2 SER 74 lone 1 65 - 2 - HB2 LEU 98 - HB3 SER 74 lone 1 64 - 2 - Peak 11128 from cnoeabs.peaks (1.78, 4.29, 61.82 ppm; 3.99 A): 0 out of 3 assignments used, low quality = 0.00: HG LEU 100 - HA THR 25 lone 6 100 - 6 - ~10037=2, ~10691=1, ~6234=1 HB3 LEU 98 - HA THR 25 lone 1 65 - 2 - HB2 LEU 48 - HA THR 25 lone 1 92 - 1 - Peak 11129 from cnoeabs.peaks (2.77, 4.07, 62.61 ppm; 6.33 A): 2 out of 4 assignments used, quality = 0.52: HB2 ASP 131 + HB2 SER 74 OK 31 99 - 31 - 9586/4.6=30 HB2 ASP 131 + HB3 SER 74 OK 31 98 - 31 - 9586/4.6=30 HB3 ASN 13 - HB2 SER 74 lone 6 98 - 6 - 9586/4.6=4 HB3 ASN 13 - HB3 SER 74 lone 6 97 - 6 - 9586/4.6=4 Peak 11130 from cnoeabs.peaks (0.78, 4.07, 62.61 ppm; 4.82 A): 10 out of 12 assignments used, quality = 0.91: QG1 VAL 63 + HB2 SER 74 OK 36 98 - 36 - 11020=11, 11020/1.8=9...(5) QG1 VAL 63 + HB3 SER 74 OK 35 97 - 36 - 11020=10, 11020/1.8=10...(5) QD1 ILE 32 + HB2 SER 74 OK 22 98 - 23 - 9590/3.0=10, 9575/3.9=7 QD1 ILE 32 + HB3 SER 74 OK 22 97 - 23 - 9590/3.0=10, 9575/3.9=7 QD1 LEU 96 + HB2 SER 74 OK 16 73 - 22 - 9575/3.9=10, 9590/3.0=7 QD1 LEU 96 + HB3 SER 74 OK 16 71 - 22 - 9575/3.9=10, 9590/3.0=7 QD1 LEU 103 + HB2 SER 74 OK 15 99 - 15 - 11427/4.6=7, 9590/3.0=5 QD1 LEU 103 + HB3 SER 74 OK 15 98 - 15 - 11427/4.6=7, 9590/3.0=5 QD1 ILE 37 + HB2 SER 74 OK 15 100 - 14 - 9590/3.0=5, 9595/4.6=3...(4) QD1 ILE 37 + HB3 SER 74 OK 14 99 - 14 - 9590/3.0=5, 9595/4.6=3...(4) QD2 LEU 122 - HB2 SER 74 lone 1 81 - 2 - QD2 LEU 122 - HB3 SER 74 lone 1 79 - 2 - Peak 11131 from cnoeabs.peaks (0.91, 4.07, 62.61 ppm; 4.77 A): 4 out of 12 assignments used, quality = 0.58: QG2 VAL 63 + HB2 SER 74 OK 23 96 - 24 - 2.1/11020=9, ~11020=7...(4) QG2 VAL 63 + HB3 SER 74 OK 22 94 - 24 - 2.1/11020=8, ~11020=7...(4) QD1 LEU 62 + HB2 SER 74 OK 16 81 - 20 - 2.1/11127=9, ~11127=7 QD1 LEU 62 + HB3 SER 74 OK 16 79 - 20 - 2.1/11127=8, ~11127=7 QD2 LEU 48 - HB2 SER 74 lone 3 99 - 3 - 10957/2075=2 QD2 LEU 48 - HB3 SER 74 lone 3 98 - 3 - 10957/2075=2 QD1 LEU 49 - HB2 SER 74 lone 2 87 - 3 - QD1 LEU 49 - HB3 SER 74 lone 2 85 - 3 - QG1 VAL 118 - HB2 SER 74 lone 2 81 - 3 - QG1 VAL 118 - HB3 SER 74 lone 2 79 - 3 - QG1 VAL 20 - HB2 SER 74 lone 2 100 - 2 - QG1 VAL 20 - HB3 SER 74 lone 2 99 - 2 - Peak 11132 from cnoeabs.peaks (4.08, 4.32, 45.60 ppm; 5.65 A): 2 out of 3 assignments used, quality = 0.69: HB3 SER 74 + HA2 GLY 75 OK 48 65 - 73 - ~7017=26, ~7018=19...(6) HB2 SER 74 + HA2 GLY 75 OK 42 57 - 73 - ~7017=26, ~7019=19...(6) HA PHE 89 - HA2 GLY 75 lone 1 73 - 2 - Peak 11133 from cnoeabs.peaks (0.93, 4.31, 59.97 ppm; 5.90 A): 0 out of 3 assignments used, low quality = 0.32: QD1 LEU 48 - HA TYR 76 OK 32 99 - 32 - 11135/3.0=9, 4.8/2361=6...(7) QD1 LEU 123 - HA TYR 76 lone 7 99 - 7 - 11135/3.0=3 QG2 VAL 112 - HA TYR 76 lone 3 99 - 3 - Peak 11134 from cnoeabs.peaks (1.04, 4.31, 59.97 ppm; 5.74 A): 1 out of 1 assignment used, quality = 0.71: QG2 VAL 133 + HA TYR 76 OK 71 100 - 71 - 10555/4.7=40, ~11930=16...(12) Peak 11136 from cnoeabs.peaks (2.83, 4.31, 59.97 ppm; 4.82 A): 0 out of 1 assignment used, low quality = 0.14: HB3 ASP 47 - HA TYR 76 OK 14 73 - 19 - ~1476=6, 4.7/2361=5...(4) Peak 11137 from cnoeabs.peaks (4.39, 3.13, 40.72 ppm; 5.31 A): 2 out of 6 assignments used, quality = 0.53: HA ASP 78 + HB3 TYR 76 OK 39 73 - 53 - ~9681=22, 11789/3.8=19...(4) HA CYS 73 + HB3 TYR 76 OK 24 81 - 30 - 11126/2.6=21, 11789/3.8=7 HA SER 9 - HB3 TYR 76 lone 3 99 - 3 - 3.0/6046=2 HA SER 107 - HB3 TYR 76 lone 3 96 - 3 - 10115/10847=1 HA SER 33 - HB3 TYR 76 lone 2 92 - 2 - HA THR 115 - HB3 TYR 76 lone 1 65 - 1 - Peak 11138 from cnoeabs.peaks (1.13, 2.77, 40.87 ppm; 4.34 A): 3 out of 4 assignments used, quality = 0.88: QG1 VAL 132 + HB2 ASP 131 OK 72 100 - 72 - 4.0/7914=27...(8) QG2 VAL 132 + HB2 ASP 131 OK 47 73 - 65 - 4.0/7914=27, ~10518=22...(5) HG2 LYS 39 + HB2 ASP 131 OK 19 96 - 20 - 2.9/10514=6, 10518/1.8=4...(7) QG2 THR 115 - HB2 ASP 131 lone 2 96 - 2 - Peak 11141 from cnoeabs.peaks (7.31, 4.31, 59.97 ppm; 5.94 A): 3 out of 3 assignments used, quality = 0.64: H ARG 135 + HA TYR 76 OK 48 92 - 53 - 4.7/7939=13, 4.4/4276=12...(8) HZ PHE 89 + HA TYR 76 OK 21 99 - 21 - 10553/11134=9...(4) QD PHE 87 + HA TYR 76 OK 13 57 - 22 - 11143/3.0=9, 11139/3.0=9 Peak 11142 from cnoeabs.peaks (7.32, 2.76, 40.72 ppm; 6.49 A): 0 out of 1 assignment used, low quality = 0.26: QD PHE 87 - HB2 TYR 76 OK 26 73 - 35 - 11139/3.8=30, 11143/1.8=4 Peak 11143 from cnoeabs.peaks (7.31, 3.13, 40.72 ppm; 6.55 A): 3 out of 3 assignments used, quality = 0.63: QD PHE 87 + HB3 TYR 76 OK 38 98 - 38 - 11139/3.8=26...(4) H ARG 135 + HB3 TYR 76 OK 33 99 - 33 - 11141/3.0=16...(4) HZ PHE 89 + HB3 TYR 76 OK 11 65 - 17 - 9110/9635=7, 11141/3.0=7 Peak 11144 from cnoeabs.peaks (6.50, 1.18, 22.07 ppm; 5.32 A): 1 out of 1 assignment used, quality = 0.69: QD TYR 76 + QG2 VAL 77 OK 69 87 - 79 - 2.2/9630=32, 5.0/7044=30...(5) Peak 11145 from cnoeabs.peaks (6.49, 1.06, 19.25 ppm; 5.26 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11148 from cnoeabs.peaks (7.42, 1.18, 22.07 ppm; 3.87 A): 0 out of 2 assignments used, low quality = 0.11: HE22 GLN 104 - QG2 VAL 77 OK 11 81 - 13 - 9749/9649=6, ~9668=5 H GLN 61 - QG2 VAL 77 lone 5 100 - 5 - 9749/9649=4 Peak 11149 from cnoeabs.peaks (7.34, 1.06, 19.25 ppm; 4.38 A): 1 out of 1 assignment used, quality = 0.51: HE ARG 90 + QG1 VAL 77 OK 51 65 - 78 - 4.0/9651=23, 11842=23...(9) Peak 11150 from cnoeabs.peaks (6.51, 2.33, 31.62 ppm; 6.53 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11151 from cnoeabs.peaks (7.79, 1.06, 19.25 ppm; 6.80 A): 1 out of 3 assignments used, quality = 0.81: H GLY 75 + QG1 VAL 77 OK 81 92 - 88 - 3.1/9611=49, 2.9/9603=41...(6) HD22 ASN 59 - QG1 VAL 77 lone 4 57 - 6 - 2353/9603=1, 7024/9611=1 HD22 ASN 121 - QG1 VAL 77 lone 3 92 - 3 - Peak 11152 from cnoeabs.peaks (1.95, 1.06, 19.25 ppm; 4.74 A): 2 out of 6 assignments used, quality = 0.87: HB3 ARG 90 + QG1 VAL 77 OK 74 92 - 80 - 2.9/9651=32...(7) HB3 LYS 86 + QG1 VAL 77 OK 49 65 - 75 - 3.0/9650=25, ~11742=21...(10) HB2 PRO 58 - QG1 VAL 77 lone 8 98 - 8 - 11838/11842=3, 2826/9651=1 HB3 PRO 81 - QG1 VAL 77 lone 2 100 - 2 - HB3 LYS 95 - QG1 VAL 77 lone 1 87 - 2 - HB2 LYS 95 - QG1 VAL 77 lone 1 65 - 2 - Peak 11153 from cnoeabs.peaks (1.65, 1.06, 19.25 ppm; 4.04 A): 2 out of 17 assignments used, quality = 0.72: HD2 LYS 86 + QG1 VAL 77 OK 47 81 - 59 - 3.0/9650=20, ~11775=15...(8) HD3 LYS 86 + QG1 VAL 77 OK 47 81 - 59 - 3.0/9650=20, ~11775=15...(8) HG LEU 43 - QG1 VAL 77 lone 6 65 - 10 - 3.0/9651=5, ~9663=2...(4) HD3 LYS 26 - QG1 VAL 77 lone 6 87 - 7 - 2.9/9650=3, ~9644=2 HD2 LYS 26 - QG1 VAL 77 lone 5 73 - 6 - 2.9/9650=3, ~9644=2 HB2 LEU 123 - QG1 VAL 77 lone 2 99 - 2 - ~11582=1 HB2 LEU 98 - QG1 VAL 77 lone 2 100 - 2 - 11169/9719=1 QB ALA 88 - QG1 VAL 77 lone 2 65 - 3 - 11290/9674=2 HD3 LYS 24 - QG1 VAL 77 lone 1 73 - 2 - HG LEU 62 - QG1 VAL 77 lone 1 96 - 1 - HD2 LYS 95 - QG1 VAL 77 lone 1 99 - 1 - HD2 LYS 24 - QG1 VAL 77 lone 1 65 - 2 - HD3 LYS 31 - QG1 VAL 77 lone 1 73 - 2 - HD2 LYS 31 - QG1 VAL 77 lone 1 65 - 2 - HD2 LYS 19 - QG1 VAL 77 lone 1 98 - 1 - HD3 LYS 19 - QG1 VAL 77 lone 1 98 - 1 - HD3 LYS 95 - QG1 VAL 77 lone 1 81 - 1 - Peak 11154 from cnoeabs.peaks (4.30, 1.06, 19.25 ppm; 4.09 A): 0 out of 4 assignments used, low quality = 0.39: HA THR 25 - QG1 VAL 77 OK 24 87 - 27 - ~10695=7, 3.2/2398=6...(7) HA SER 74 - QG1 VAL 77 OK 20 87 - 23 - 4.9/9603=11...(3) HA THR 18 - QG1 VAL 77 lone 1 92 - 1 - HA ALA 21 - QG1 VAL 77 lone 1 81 - 1 - Peak 11155 from cnoeabs.peaks (4.37, 1.06, 19.25 ppm; 4.06 A): 1 out of 3 assignments used, quality = 0.52: HA ASP 78 + QG1 VAL 77 OK 52 57 - 91 - 2.9/7052=41, ~2393=20...(15) HA PRO 117 - QG1 VAL 77 lone 7 81 - 9 - 11751/4.0=3, ~9662=2...(4) HA PRO 113 - QG1 VAL 77 lone 2 99 - 2 - 11751/4.0=1 Peak 11156 from cnoeabs.peaks (3.05, 1.18, 22.07 ppm; 4.55 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11157 from cnoeabs.peaks (3.89, 1.18, 22.07 ppm; 4.11 A): 2 out of 7 assignments used, quality = 0.70: HA LYS 86 + QG2 VAL 77 OK 66 100 - 66 - 3.7/11742=22, 9818=17...(12) HA2 GLY 114 + QG2 VAL 77 OK 11 96 - 12 - 2.9/11754=5, 9727/9649=3 HA LEU 70 - QG2 VAL 77 lone 6 92 - 6 - 9727/9649=2 HB3 SER 50 - QG2 VAL 77 lone 5 99 - 6 - 1607/9040=2 HA2 GLY 2 - QG2 VAL 77 lone 3 81 - 3 - HA3 GLY 2 - QG2 VAL 77 lone 3 81 - 3 - HA ALA 46 - QG2 VAL 77 lone 2 65 - 3 - Peak 11158 from cnoeabs.peaks (1.17, 4.38, 55.75 ppm; 5.55 A): 1 out of 3 assignments used, quality = 0.64: QG2 VAL 77 + HA ASP 78 OK 64 65 - 98 - ~7052=40, ~2399=39...(13) QB ALA 41 - HA ASP 78 lone 7 99 - 7 - ~9064=3, 10567/9695=3 QG2 THR 18 - HA ASP 78 lone 3 100 - 3 - Peak 11159 from cnoeabs.peaks (1.19, 2.51, 39.87 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.77: QG2 VAL 77 + HB2 ASP 78 OK 71 73 - 96 - 2.1/9692=50, 4.3/2411=49...(6) QG2 THR 25 + HB2 ASP 78 OK 22 99 - 22 - 11160/1.8=9, 9612/2415=5...(4) Peak 11160 from cnoeabs.peaks (1.19, 2.74, 39.87 ppm; 6.55 A): 2 out of 2 assignments used, quality = 0.92: QG2 VAL 77 + HB3 ASP 78 OK 89 92 - 97 - 2.1/9693=50, 4.3/2416=48...(10) QG2 THR 25 + HB3 ASP 78 OK 23 100 - 23 - 11159/1.8=9, 7053/4.1=6...(5) Peak 11161 from cnoeabs.peaks (2.05, 2.74, 39.87 ppm; 5.49 A): 0 out of 8 assignments used, low quality = 0.26: HG3 PRO 117 - HB3 ASP 78 OK 14 99 - 15 - ~11165=13 HG2 PRO 117 - HB3 ASP 78 OK 13 92 - 15 - ~11165=13 HB VAL 118 - HB3 ASP 78 poor 9 73 - 12 - ~10267=6, 11542/3.0=5 HB2 GLN 127 - HB3 ASP 78 poor 8 73 - 11 - ~11165=7, 4.7/10428=3 HG3 PRO 81 - HB3 ASP 78 lone 1 98 - 2 - HB2 LEU 62 - HB3 ASP 78 lone 1 73 - 2 - QE MET 11 - HB3 ASP 78 lone 1 73 - 2 - HB3 GLU 55 - HB3 ASP 78 lone 1 81 - 1 - Peak 11163 from cnoeabs.peaks (6.95, 4.38, 55.75 ppm; 5.44 A): 0 out of 2 assignments used, low quality = 0.32: H ILE 80 - HA ASP 78 OK 32 65 - 49 - 7066/3.6=29, 9703/2.9=20...(4) HE21 GLN 82 - HA ASP 78 lone 1 57 - 1 - Peak 11164 from cnoeabs.peaks (2.33, 4.38, 55.75 ppm; 5.28 A): 1 out of 4 assignments used, quality = 0.72: HB VAL 77 + HA ASP 78 OK 72 73 - 98 - ~7052=37, ~2399=36...(15) HB3 GLN 134 - HA ASP 78 lone 6 98 - 6 - 7051/2.9=3 HG3 GLU 30 - HA ASP 78 lone 4 92 - 5 - 7051/2.9=2 HG3 GLN 68 - HA ASP 78 lone 1 98 - 1 - Peak 11165 from cnoeabs.peaks (2.36, 2.51, 39.87 ppm; 5.59 A): 0 out of 5 assignments used, low quality = 0.00: HB2 PRO 117 - HB2 ASP 78 poor 10 98 - 10 - ~11161=9 HG2 GLN 127 - HB2 ASP 78 lone 6 96 - 6 - ~11161=4 HG2 GLU 102 - HB2 ASP 78 lone 3 100 - 3 - HG3 GLN 27 - HB2 ASP 78 lone 2 100 - 2 - HG2 GLN 27 - HB2 ASP 78 lone 1 87 - 2 - Peak 11166 from cnoeabs.peaks (1.74, 2.61, 27.19 ppm; 5.07 A): 0 out of 5 assignments used, low quality = 0.40: HB ILE 80 - HB3 CYS 79 OK 26 99 - 26 - 7073/4.4=25 HG13 ILE 129 - HB3 CYS 79 OK 20 92 - 21 - 9700/3.9=14, 7073/4.4=8 HB2 LYS 31 - HB3 CYS 79 lone 4 96 - 5 - 7073/4.4=2 HG3 ARG 90 - HB3 CYS 79 lone 3 81 - 3 - 7073/4.4=2 HB2 LYS 24 - HB3 CYS 79 lone 1 73 - 2 - Peak 11167 from cnoeabs.peaks (1.48, 1.74, 38.49 ppm; 5.24 A): 2 out of 3 assignments used, quality = 0.74: HG3 LYS 86 + HB ILE 80 OK 56 81 - 70 - ~9825=15, ~9822=15...(10) QB ALA 52 + HB ILE 80 OK 40 99 - 40 - ~10963=14, 2.1/2444=7...(8) HG LEU 42 - HB ILE 80 lone 5 92 - 6 - ~9083=2 Peak 11168 from cnoeabs.peaks (2.00, 4.12, 58.67 ppm; 4.54 A): 3 out of 8 assignments used, quality = 0.96: HB ILE 129 + HA ILE 80 OK 79 100 - 80 - 2.1/2441=16, 2.9/2438=10...(23) HG2 PRO 81 + HA ILE 80 OK 64 92 - 70 - 2.3/2481=44, 2.3/2478=31...(6) HB3 PRO 117 + HA ILE 80 OK 40 92 - 43 - ~11171=17, ~9733=15...(6) HB3 PRO 56 - HA ILE 80 lone 5 98 - 5 - 2486/3.8=1, 2482/3.8=1 HG2 PRO 56 - HA ILE 80 lone 4 96 - 4 - HG3 PRO 56 - HA ILE 80 lone 4 96 - 4 - HB VAL 20 - HA ILE 80 lone 3 99 - 3 - HB2 GLU 91 - HA ILE 80 lone 2 65 - 3 - Peak 11169 from cnoeabs.peaks (1.65, 0.27, 13.24 ppm; 4.61 A): 4 out of 11 assignments used, quality = 0.83: HD2 LYS 86 + QD1 ILE 80 OK 47 65 - 72 - 5.5/9820=19, 3.5/9721=17...(13) HD3 LYS 86 + QD1 ILE 80 OK 47 65 - 72 - 5.5/9820=19, 3.5/9721=17...(13) HB2 LEU 98 + QD1 ILE 80 OK 31 99 - 31 - ~11368=23, ~9204=8 HG LEU 62 + QD1 ILE 80 OK 12 99 - 12 - 3.0/11931=4, ~11932=3...(4) HB2 LEU 123 - QD1 ILE 80 lone 9 100 - 9 - ~10960=7 HG LEU 43 - QD1 ILE 80 lone 6 81 - 8 - 3.7/9726=3, 1368/9726=2 HD3 LYS 26 - QD1 ILE 80 lone 4 73 - 6 - 2.9/9720=3 HD2 LYS 19 - QD1 ILE 80 lone 3 100 - 3 - 6.2/11182=1 HD3 LYS 19 - QD1 ILE 80 lone 3 100 - 3 - 6.2/11182=1 HD2 LYS 95 - QD1 ILE 80 lone 3 96 - 3 - ~11175=2 HD3 LYS 95 - QD1 ILE 80 lone 1 65 - 1 - Peak 11170 from cnoeabs.peaks (3.44, 0.82, 27.07 ppm; 6.12 A): 1 out of 1 assignment used, quality = 0.56: HA VAL 126 + HG13 ILE 80 OK 56 99 - 56 - 9728/1.8=19, ~11613=17...(11) Peak 11171 from cnoeabs.peaks (3.87, 0.81, 17.22 ppm; 3.93 A): 0 out of 1 assignment used, low quality = 0.14: HD2 PRO 117 - QG2 ILE 80 OK 14 73 - 19 - 9733/4.0=15, ~11168=2, ~11195=2 Peak 11172 from cnoeabs.peaks (2.82, 0.81, 17.22 ppm; 4.18 A): 2 out of 3 assignments used, quality = 0.64: HB3 ASN 85 + QG2 ILE 80 OK 60 96 - 63 - 1.8/11173=39, 9793=16...(8) HB3 ASP 71 + QG2 ILE 80 OK 11 96 - 11 - 4.6/9523=3, 9511=3, 4.0/6964=3 HB2 ASN 13 - QG2 ILE 80 lone 2 96 - 2 - Peak 11173 from cnoeabs.peaks (2.69, 0.81, 17.22 ppm; 4.13 A): 0 out of 1 assignment used, low quality = 0.36: HB2 ASN 85 - QG2 ILE 80 OK 36 65 - 55 - 1.8/11172=31, 9791=15...(8) Peak 11174 from cnoeabs.peaks (1.94, 0.81, 17.22 ppm; 4.58 A): 3 out of 5 assignments used, quality = 0.72: HB3 PRO 81 + QG2 ILE 80 OK 49 73 - 67 - 4.1/9742=17, ~2481=17...(14) HB2 LYS 95 + QG2 ILE 80 OK 26 100 - 26 - 1.8/11350=10, 11350=9...(6) HB3 LYS 95 + QG2 ILE 80 OK 26 98 - 27 - 11350=11, 1.8/11350=8...(6) HG2 PRO 113 - QG2 ILE 80 lone 8 92 - 9 - ~10143=7 HG LEU 53 - QG2 ILE 80 lone 4 100 - 4 - 9234/10963=2, 6679/9742=1 Peak 11175 from cnoeabs.peaks (1.66, 0.81, 17.22 ppm; 4.31 A): 4 out of 13 assignments used, quality = 0.82: HD2 LYS 86 + QG2 ILE 80 OK 45 92 - 49 - ~11167=9, 5.5/9819=7...(12) HD3 LYS 86 + QG2 ILE 80 OK 45 92 - 49 - ~11167=9, 5.5/9819=7...(12) QB ALA 88 + QG2 ILE 80 OK 31 98 - 32 - 3.7/9868=15...(4) HD3 LYS 95 + QG2 ILE 80 OK 12 92 - 14 - 3.7/11350=6, 3.7/11174=6 HD2 LYS 31 - QG2 ILE 80 lone 9 98 - 9 - 3.5/2452=2 HD3 LYS 31 - QG2 ILE 80 lone 9 96 - 9 - 3.5/2452=2 HB2 LEU 69 - QG2 ILE 80 lone 4 92 - 5 - 4.4/6950=3 HD2 LYS 26 - QG2 ILE 80 lone 4 96 - 4 - ~9720=1 HD3 LYS 26 - QG2 ILE 80 lone 3 87 - 4 - ~9720=1 HD2 LYS 24 - QG2 ILE 80 lone 2 98 - 2 - HD3 LYS 24 - QG2 ILE 80 lone 2 96 - 2 - HD2 LYS 36 - QG2 ILE 80 lone 1 87 - 1 - HD3 LYS 36 - QG2 ILE 80 lone 1 87 - 1 - Peak 11176 from cnoeabs.peaks (1.40, 0.81, 17.22 ppm; 4.13 A): 1 out of 2 assignments used, quality = 0.45: QB ALA 16 + QG2 ILE 80 OK 45 100 - 45 - 9713/2.1=25, 10673=13...(4) HG LEU 96 - QG2 ILE 80 lone 8 81 - 10 - 3.7/11177=3, 9488/2455=2...(5) Peak 11177 from cnoeabs.peaks (4.05, 0.81, 17.22 ppm; 4.66 A): 0 out of 5 assignments used, low quality = 0.35: HA ALA 92 - QG2 ILE 80 OK 22 99 - 22 - ~9720=9, ~9946=6...(6) HA LEU 122 - QG2 ILE 80 OK 17 100 - 17 - 11604/11613=3...(8) HA LEU 96 - QG2 ILE 80 lone 7 73 - 10 - 3.7/11176=5 HA GLU 44 - QG2 ILE 80 lone 5 100 - 5 - 4.8/2451=3 HA GLU 102 - QG2 ILE 80 lone 4 100 - 4 - Peak 11178 from cnoeabs.peaks (4.04, 0.27, 13.24 ppm; 5.41 A): 2 out of 5 assignments used, quality = 0.85: HD3 PRO 81 + QD1 ILE 80 OK 81 100 - 81 - 2481/4.2=39, 4.8/7077=35...(9) HA ALA 92 + QD1 ILE 80 OK 21 65 - 32 - 2.1/9720=19, ~9946=10 HA GLU 44 - QD1 ILE 80 poor 7 57 - 13 - 4.9/9726=4, 4.8/2472=3...(4) HA LEU 96 - QD1 ILE 80 lone 5 98 - 6 - 2481/4.2=2, 11177/3.1=1 HB3 SER 124 - QD1 ILE 80 lone 3 65 - 4 - 2481/4.2=1, 4.5/9751=1 Peak 11179 from cnoeabs.peaks (1.33, 0.82, 16.92 ppm; 4.25 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11180 from cnoeabs.peaks (7.87, 0.82, 16.92 ppm; 5.73 A): 0 out of 1 assignment used, low quality = 0.20: H GLN 68 - QG2 ILE 129 OK 20 87 - 23 - 3.6/9462=11...(3) Peak 11181 from cnoeabs.peaks (8.13, 0.27, 13.24 ppm; 5.46 A): 2 out of 4 assignments used, quality = 0.47: H ASP 71 + QD1 ILE 80 OK 30 96 - 31 - 3.6/9727=7, 6964/2.1=6...(8) H GLU 91 + QD1 ILE 80 OK 25 73 - 33 - 4.0/11183=22...(4) H ILE 32 - QD1 ILE 80 lone 6 81 - 7 - 4.6/2473=2 H ALA 15 - QD1 ILE 80 lone 2 65 - 3 - Peak 11182 from cnoeabs.peaks (8.35, 0.27, 13.24 ppm; 5.60 A): 1 out of 2 assignments used, quality = 0.64: H LYS 86 + QD1 ILE 80 OK 64 73 - 87 - 2.9/9820=43, 4.0/9721=23...(11) H LYS 19 - QD1 ILE 80 lone 7 100 - 7 - 2610/9820=1, 10806/11181=1 Peak 11183 from cnoeabs.peaks (8.56, 0.27, 13.24 ppm; 5.12 A): 2 out of 2 assignments used, quality = 0.73: H ARG 90 + QD1 ILE 80 OK 63 81 - 78 - 4.4/9724=29, 3.6/9874=28...(10) H GLY 114 + QD1 ILE 80 OK 28 65 - 43 - 2.9/2472=9, 2.9/9727=9...(12) Peak 11184 from cnoeabs.peaks (8.66, 0.27, 13.24 ppm; 5.05 A): 0 out of 4 assignments used, low quality = 0.12: H SER 60 - QD1 ILE 80 OK 12 87 - 13 - 4.6/9749=11 H SER 50 - QD1 ILE 80 lone 8 100 - 8 - 6590/9751=2, 3.9/9727=2 H HIS 67 - QD1 ILE 80 lone 4 96 - 4 - ~9462=2 H HIS 8 - QD1 ILE 80 lone 1 98 - 1 - Peak 11185 from cnoeabs.peaks (0.81, 4.04, 51.18 ppm; 4.34 A): 1 out of 4 assignments used, quality = 0.99: QG2 ILE 80 + HD3 PRO 81 OK 99 99 - 100 - 4.0=100 QG2 ILE 129 - HD3 PRO 81 OK 38 57 - 67 - 2.1/2486=11, 11186/1.8=9...(20) QD1 LEU 70 - HD3 PRO 81 OK 15 81 - 18 - 2439/3.8=4, 2446/4.8=4...(5) QD1 LEU 122 - HD3 PRO 81 OK 10 92 - 11 - 11186/1.8=3, 2439/3.8=2...(5) Peak 11186 from cnoeabs.peaks (0.81, 3.85, 51.18 ppm; 4.13 A): 1 out of 4 assignments used, quality = 0.99: QG2 ILE 80 + HD2 PRO 81 OK 99 99 - 100 - 4.0=100 QG2 ILE 129 - HD2 PRO 81 OK 36 57 - 63 - 2.1/2482=11, 11185/1.8=8...(19) QD1 LEU 70 - HD2 PRO 81 OK 12 81 - 15 - 2439/3.8=4, 2446/4.8=3...(4) QD1 LEU 122 - HD2 PRO 81 OK 11 92 - 12 - 11185/1.8=2...(5) Peak 11189 from cnoeabs.peaks (7.55, 4.04, 51.18 ppm; 5.72 A): 4 out of 4 assignments used, quality = 0.91: H THR 54 + HD3 PRO 81 OK 63 100 - 63 - 11914/2.3=21...(11) H LEU 119 + HD3 PRO 81 OK 40 87 - 47 - 4.1/11537=15...(9) H GLN 82 + HD3 PRO 81 OK 36 81 - 45 - 9742/4.0=21, ~11264=14...(6) H VAL 77 + HD3 PRO 81 OK 35 87 - 40 - 9636/4.0=15, 11914/2.3=8...(7) Peak 11190 from cnoeabs.peaks (7.54, 3.85, 51.18 ppm; 5.08 A): 0 out of 3 assignments used, low quality = 0.45: H LEU 119 - HD2 PRO 81 OK 27 96 - 28 - 11914/2.3=10, 7648/2.3=7...(7) H VAL 77 - HD2 PRO 81 OK 24 96 - 25 - 9636/4.0=15, 11914/2.3=6...(4) HE22 GLN 27 - HD2 PRO 81 lone 5 96 - 5 - Peak 11191 from cnoeabs.peaks (1.95, 4.04, 51.18 ppm; 4.14 A): 1 out of 6 assignments used, quality = 1.00: * HB3 PRO 81 + HD3 PRO 81 OK 100 100 - 100 - 3.0=100 HB2 PRO 58 - HD3 PRO 81 OK 30 98 - 30 - 9327/4.0=13, 11193/1.8=7...(9) HB3 LYS 95 - HD3 PRO 81 OK 12 87 - 14 - 11350/4.0=4, 11193/1.8=3...(4) HB2 LYS 95 - HD3 PRO 81 poor 8 65 - 13 - 11350/4.0=4, 4.6/7324=2...(4) HB3 ARG 90 - HD3 PRO 81 lone 7 92 - 8 - 2810/4.8=3, 11193/1.8=2 HB3 LYS 86 - HD3 PRO 81 lone 4 65 - 6 - 11282/4.0=3, 9825/11178=1 Peak 11192 from cnoeabs.peaks (2.25, 4.04, 51.18 ppm; 4.99 A): 1 out of 2 assignments used, quality = 1.00: * HB2 PRO 81 + HD3 PRO 81 OK 100 100 - 100 - 3.0=100 HB VAL 105 - HD3 PRO 81 lone 6 57 - 10 - 11194/1.8=2, 2.1/10086=2...(4) Peak 11193 from cnoeabs.peaks (1.95, 3.85, 51.18 ppm; 3.92 A): 1 out of 6 assignments used, quality = 1.00: * HB3 PRO 81 + HD2 PRO 81 OK 100 100 - 100 - 3.0=100 HB2 PRO 58 - HD2 PRO 81 OK 27 98 - 28 - 9327/4.0=12, 11191/1.8=6...(9) HB3 LYS 95 - HD2 PRO 81 poor 10 87 - 11 - 11350/4.0=4, 11191/1.8=3...(4) HB2 LYS 95 - HD2 PRO 81 poor 7 65 - 10 - 11350/4.0=3, ~11191=2 HB3 ARG 90 - HD2 PRO 81 lone 7 92 - 7 - 2810/4.8=3, 11191/1.8=2 HB3 LYS 86 - HD2 PRO 81 lone 3 65 - 5 - 11282/4.0=3 Peak 11194 from cnoeabs.peaks (2.25, 3.85, 51.18 ppm; 4.91 A): 1 out of 2 assignments used, quality = 1.00: * HB2 PRO 81 + HD2 PRO 81 OK 100 100 - 100 - 3.0=100 HB VAL 105 - HD2 PRO 81 lone 6 57 - 10 - 11192/1.8=2, ~10086=2...(4) Peak 11195 from cnoeabs.peaks (0.83, 2.05, 27.30 ppm; 4.71 A): 5 out of 9 assignments used, quality = 0.92: QG2 ILE 129 + HG3 PRO 81 OK 72 90 - 80 - 9714/2.3=26...(15) HG13 ILE 80 + HG3 PRO 81 OK 45 97 - 47 - ~11178=15, 11894/2.3=14...(6) HG13 ILE 80 + HG3 PRO 117 OK 24 98 - 24 - ~11171=22 HG13 ILE 80 + HG2 PRO 117 OK 20 83 - 24 - ~11171=22 QG2 ILE 129 + HG3 PRO 117 OK 12 92 - 13 - 4138/2.3=1, ~3681=1...(6) QG2 ILE 129 - HG2 PRO 117 poor 10 75 - 13 - 4138/2.3=1, ~3681=1...(4) QD1 LEU 70 - HG3 PRO 81 lone 5 71 - 7 - 11909/3.8=2, 11894/2.3=2 QD1 LEU 70 - HG3 PRO 117 lone 1 73 - 2 - QD1 LEU 70 - HG2 PRO 117 lone 1 57 - 2 - Peak 11210 from cnoeabs.peaks (4.60, 2.45, 33.62 ppm; 3.36 A): 2 out of 2 assignments used, quality = 0.82: * HA GLN 82 + HG3 GLN 82 OK 79 100 - 79 - 4.1=55, 3.0/11227=21...(7) HA VAL 57 + HG3 GLN 82 OK 14 87 - 16 - 11211/2.9=5, 11213/2.9=5...(7) Peak 11211 from cnoeabs.peaks (4.60, 2.20, 28.77 ppm; 4.18 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 82 + HB2 GLN 82 OK 100 100 - 100 - 3.0=100 HA VAL 57 - HB2 GLN 82 OK 37 87 - 43 - 11213/1.8=10...(12) Peak 11213 from cnoeabs.peaks (4.60, 2.09, 28.77 ppm; 4.92 A): 2 out of 2 assignments used, quality = 1.00: * HA GLN 82 + HB3 GLN 82 OK 100 100 - 100 - 3.0=100 HA VAL 57 + HB3 GLN 82 OK 51 87 - 59 - 11211/1.8=13, 1794=8...(13) Peak 11214 from cnoeabs.peaks (2.43, 2.20, 28.77 ppm; 3.17 A): 1 out of 3 assignments used, quality = 0.51: HG2 GLN 101 + HB2 GLN 82 OK 51 87 - 59 - 11215/1.8=31, 3307=11...(10) HG3 GLU 97 - HB2 GLN 82 lone 3 65 - 5 - 11215/1.8=2 HG3 GLU 128 - HB2 GLN 82 lone 3 73 - 4 - 11215/1.8=2 Peak 11215 from cnoeabs.peaks (2.43, 2.09, 28.77 ppm; 3.19 A): 0 out of 3 assignments used, low quality = 0.39: HG2 GLN 101 - HB3 GLN 82 OK 39 87 - 45 - 11214/1.8=31...(5) HG3 GLU 128 - HB3 GLN 82 lone 2 73 - 3 - 11214/1.8=2 HG3 GLU 97 - HB3 GLN 82 lone 2 65 - 3 - 11214/1.8=2 Peak 11216 from cnoeabs.peaks (2.20, 2.20, 28.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 82 + HB2 GLN 82 OK 100 100 - 100 Peak 11217 from cnoeabs.peaks (2.10, 2.20, 28.77 ppm; 2.87 A): 2 out of 5 assignments used, quality = 0.93: HB3 GLN 82 + HB2 GLN 82 OK 92 92 - 100 - 1.8=100 HB VAL 57 + HB2 GLN 82 OK 15 81 - 19 - 3.0/11211=4, 11245/3.0=4...(8) HB2 GLN 61 - HB2 GLN 82 lone 4 100 - 4 - HB3 GLN 61 - HB2 GLN 82 lone 3 96 - 3 - HB VAL 126 - HB2 GLN 82 lone 0 73 - 0 - Peak 11218 from cnoeabs.peaks (2.20, 2.09, 28.77 ppm; 2.83 A): 1 out of 2 assignments used, quality = 1.00: HB2 GLN 82 + HB3 GLN 82 OK 100 100 - 100 - 1.8=100 HB2 GLN 101 - HB3 GLN 82 OK 36 96 - 38 - 2.9/11215=18, ~11214=9...(7) Peak 11219 from cnoeabs.peaks (2.09, 2.09, 28.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 82 + HB3 GLN 82 OK 100 100 - 100 Peak 11223 from cnoeabs.peaks (8.88, 2.45, 33.62 ppm; 4.33 A): 1 out of 1 assignment used, quality = 0.62: * H THR 83 + HG3 GLN 82 OK 62 100 - 62 - 3.6/11210=30...(4) Peak 11224 from cnoeabs.peaks (8.88, 2.09, 28.77 ppm; 5.63 A): 1 out of 1 assignment used, quality = 1.00: * H THR 83 + HB3 GLN 82 OK 100 100 - 100 - 4.5=100 Peak 11225 from cnoeabs.peaks (8.88, 2.20, 28.77 ppm; 5.16 A): 1 out of 1 assignment used, quality = 1.00: * H THR 83 + HB2 GLN 82 OK 100 100 - 100 - 4.5=100 Peak 11226 from cnoeabs.peaks (7.25, 2.45, 33.62 ppm; 3.87 A): 1 out of 2 assignments used, quality = 0.55: HD21 ASN 85 + HG3 GLN 82 OK 55 87 - 64 - 1.7/11239=29, 9796=25...(6) HE ARG 84 - HG3 GLN 82 lone 10 100 - 10 - 6.7/11230=9 Peak 11227 from cnoeabs.peaks (7.55, 2.45, 33.62 ppm; 3.49 A): 2 out of 3 assignments used, quality = 0.72: H GLN 82 + HG3 GLN 82 OK 68 99 - 69 - 5.1=32, 3.0/11210=24...(8) H THR 54 + HG3 GLN 82 OK 12 96 - 13 - 9268/1.8=8, 9268=4 HE22 GLN 61 - HG3 GLN 82 lone 2 87 - 3 - Peak 11228 from cnoeabs.peaks (8.98, 2.09, 28.77 ppm; 5.72 A): 1 out of 1 assignment used, quality = 0.48: H ARG 84 + HB3 GLN 82 OK 48 92 - 52 - 11229/1.8=38, 3.7/11276=21 Peak 11229 from cnoeabs.peaks (8.99, 2.20, 28.77 ppm; 5.63 A): 1 out of 1 assignment used, quality = 0.83: H ARG 84 + HB2 GLN 82 OK 83 99 - 84 - 3.7/11235=37...(6) Peak 11230 from cnoeabs.peaks (9.00, 2.45, 33.62 ppm; 4.89 A): 1 out of 1 assignment used, quality = 0.64: H ARG 84 + HG3 GLN 82 OK 64 86 - 74 - 9777=37, 4.7/11223=28...(5) Peak 11231 from cnoeabs.peaks (7.87, 2.09, 28.77 ppm; 3.80 A): 0 out of 2 assignments used, low quality = 0.27: H GLN 68 - HB3 GLN 82 OK 27 98 - 27 - 11237/1.8=24, 11180/11263=3 H ALA 88 - HB3 GLN 82 lone 1 65 - 1 - Peak 11232 from cnoeabs.peaks (8.09, 2.09, 28.77 ppm; 4.15 A): 0 out of 3 assignments used, low quality = 0.34: HD22 ASN 85 - HB3 GLN 82 OK 34 57 - 60 - ~9796=20, ~11226=19...(6) H LEU 103 - HB3 GLN 82 lone 4 57 - 7 - ~7448=4, 11239/2.9=2 H ALA 109 - HB3 GLN 82 lone 1 65 - 1 - Peak 11233 from cnoeabs.peaks (7.54, 2.09, 28.77 ppm; 4.26 A): 0 out of 4 assignments used, low quality = 0.00: H THR 54 - HB3 GLN 82 lone 5 57 - 9 - 9268/2.9=5, 9268/2.9=4 H LEU 119 - HB3 GLN 82 lone 2 98 - 2 - HE22 GLN 27 - HB3 GLN 82 lone 2 92 - 2 - H VAL 77 - HB3 GLN 82 lone 1 98 - 1 - Peak 11234 from cnoeabs.peaks (7.28, 2.09, 28.77 ppm; 4.44 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11235 from cnoeabs.peaks (7.27, 2.20, 28.77 ppm; 4.56 A): 1 out of 3 assignments used, quality = 0.56: H ASN 85 + HB2 GLN 82 OK 56 99 - 57 - 11277=28, 3.7/11229=21...(4) QE PHE 87 - HB2 GLN 82 lone 3 100 - 3 - 7097/9778=2 HD2 HIS 10 - HB2 GLN 82 lone 1 81 - 1 - Peak 11236 from cnoeabs.peaks (7.56, 2.20, 28.77 ppm; 4.33 A): 1 out of 2 assignments used, quality = 0.92: H GLN 82 + HB2 GLN 82 OK 92 92 - 100 - 4.0=100 HE22 GLN 61 - HB2 GLN 82 lone 7 100 - 6 - 6774/1.8=1, 4.4/11217=1 Peak 11237 from cnoeabs.peaks (7.87, 2.20, 28.77 ppm; 3.69 A): 0 out of 1 assignment used, low quality = 0.13: H GLN 68 - HB2 GLN 82 OK 13 57 - 23 - 11231/1.8=21, 6937/9483=1 Peak 11238 from cnoeabs.peaks (8.10, 2.20, 28.77 ppm; 4.46 A): 0 out of 1 assignment used, low quality = 0.00: H THR 25 - HB2 GLN 82 lone 1 81 - 1 - Peak 11239 from cnoeabs.peaks (8.09, 2.45, 33.62 ppm; 4.21 A): 1 out of 5 assignments used, quality = 0.65: HD22 ASN 85 + HG3 GLN 82 OK 65 98 - 66 - 1.7/11226=36, 9803=24...(5) H LEU 103 - HG3 GLN 82 lone 6 98 - 7 - ~7448=3, 11232/2.9=2 H ALA 109 - HG3 GLN 82 lone 1 99 - 1 - H ASN 120 - HG3 GLN 82 lone 1 73 - 1 - H ALA 108 - HG3 GLN 82 lone 1 96 - 1 - Peak 11240 from cnoeabs.peaks (8.11, 1.24, 22.04 ppm; 4.89 A): 2 out of 2 assignments used, quality = 0.70: H PHE 87 + QG2 THR 83 OK 66 87 - 76 - 4.2/9776=34...(7) H THR 25 + QG2 THR 83 OK 10 81 - 13 - 9773/2.1=12 Peak 11241 from cnoeabs.peaks (8.34, 1.24, 22.04 ppm; 4.61 A): 1 out of 2 assignments used, quality = 0.70: H LYS 86 + QG2 THR 83 OK 70 99 - 70 - 7129/3.2=29...(8) H GLU 44 - QG2 THR 83 lone 9 92 - 10 - 7098/4.3=4, 2510/3.2=3 Peak 11242 from cnoeabs.peaks (4.60, 4.60, 55.56 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: * HA GLN 82 + HA GLN 82 OK 99 99 - 100 Peak 11243 from cnoeabs.peaks (2.44, 4.60, 55.56 ppm; 3.52 A): 2 out of 2 assignments used, quality = 0.94: HG2 GLN 82 + HA GLN 82 OK 82 97 - 85 - 4.1=64, 1.8/11210=33...(7) HG3 GLN 82 + HA GLN 82 OK 66 85 - 78 - 4.1=64, 11227/3.0=17...(5) Peak 11244 from cnoeabs.peaks (2.20, 4.60, 55.56 ppm; 4.00 A): 1 out of 2 assignments used, quality = 0.99: HB2 GLN 82 + HA GLN 82 OK 99 99 - 100 - 3.0=100 HB2 GLN 101 - HA GLN 82 OK 42 94 - 45 - ~11215=13, ~11214=13...(7) Peak 11245 from cnoeabs.peaks (2.09, 4.60, 55.56 ppm; 4.06 A): 1 out of 4 assignments used, quality = 0.99: HB3 GLN 82 + HA GLN 82 OK 99 99 - 100 - 3.0=100 HB VAL 57 - HA GLN 82 OK 44 97 - 45 - 1798=10, 2.1/1808=7...(12) HB2 GLN 61 - HA GLN 82 poor 10 90 - 10 - 1932/3.0=1, 11217/3.0=1...(4) HB3 GLN 61 - HA GLN 82 lone 7 71 - 9 - ~1959=1, 1932/3.0=1...(5) Peak 11252 from cnoeabs.peaks (6.96, 3.85, 51.18 ppm; 5.92 A): 2 out of 2 assignments used, quality = 0.89: H ILE 80 + HD2 PRO 81 OK 87 87 - 100 - 4.8=100 HE21 GLN 104 + HD2 PRO 81 OK 18 98 - 18 - 2450/4.0=6, 2443/4.8=5 Peak 11262 from cnoeabs.peaks (0.82, 2.45, 33.62 ppm; 4.22 A): 3 out of 4 assignments used, quality = 0.52: QG2 ILE 129 + HG3 GLN 82 OK 28 98 - 28 - 9715=11, 11263/2.9=10...(5) HG13 ILE 80 + HG3 GLN 82 OK 20 92 - 22 - 11263/2.9=7, 11261/5.1=6...(4) QG2 ILE 80 + HG3 GLN 82 OK 17 92 - 19 - 9742/5.1=10, ~11263=5...(4) QD1 LEU 70 - HG3 GLN 82 lone 9 100 - 9 - 11263/2.9=3, ~11112=3 Peak 11263 from cnoeabs.peaks (0.82, 2.09, 28.77 ppm; 3.93 A): 0 out of 3 assignments used, low quality = 0.37: QG2 ILE 129 - HB3 GLN 82 OK 24 96 - 25 - 11261/4.0=10, 9715/2.9=9 HG13 ILE 80 - HB3 GLN 82 OK 17 99 - 18 - 11261/4.0=9, 11262/2.9=5...(4) QD1 LEU 70 - HB3 GLN 82 lone 8 81 - 10 - ~11112=3, 11262/2.9=2...(4) Peak 11264 from cnoeabs.peaks (1.95, 4.60, 55.56 ppm; 4.61 A): 2 out of 5 assignments used, quality = 0.69: HB3 PRO 81 + HA GLN 82 OK 53 64 - 83 - 5.0=80, ~11886=6...(4) HB2 PRO 58 + HA GLN 82 OK 34 90 - 38 - ~11259=12, 11248/5.9=9...(6) HB3 ARG 90 - HA GLN 82 lone 6 97 - 6 - 11248/5.9=3 HB3 LYS 86 - HA GLN 82 lone 5 99 - 5 - 11248/5.9=3 HB2 GLU 30 - HA GLN 82 lone 4 98 - 4 - 11248/5.9=2 Peak 11265 from cnoeabs.peaks (7.55, 2.05, 27.30 ppm; 4.74 A): 7 out of 12 assignments used, quality = 0.91: H THR 54 + HG3 PRO 81 OK 43 97 - 45 - 11914/1.8=20...(6) H LEU 119 + HG3 PRO 81 OK 39 94 - 42 - 11914/1.8=13...(13) H LEU 119 + HG3 PRO 117 OK 32 96 - 34 - 4.6/7636=8, 3.8/10298=7...(8) H LEU 119 + HG2 PRO 117 OK 26 79 - 33 - 4.6/7636=8, 3.5/3729=6...(8) H GLN 82 + HG3 PRO 81 OK 25 64 - 39 - 3.6/11911=19, ~11264=11...(6) H VAL 77 + HG3 PRO 81 OK 21 94 - 23 - 11914/1.8=8, 11190/2.3=7...(5) H GLN 82 + HG3 PRO 117 OK 12 65 - 19 - 3.6/11911=8, 7.0/11250=5...(4) H THR 54 - HG3 PRO 117 poor 10 98 - 10 - 4.6/3726=3, 11914/2491=2...(4) H VAL 77 - HG3 PRO 117 lone 8 96 - 9 - 11751/3.8=4 H THR 54 - HG2 PRO 117 lone 8 83 - 10 - 4.6/3726=3, 11914/2491=2 H GLN 82 - HG2 PRO 117 poor 8 50 - 15 - 3.6/11911=6, 7.0/11250=4 H VAL 77 - HG2 PRO 117 lone 7 79 - 9 - 11751/3.8=4 Peak 11267 from cnoeabs.peaks (1.79, 1.24, 22.04 ppm; 3.91 A): 2 out of 5 assignments used, quality = 0.67: HB2 LYS 86 + QG2 THR 83 OK 62 96 - 65 - 4.0/11241=17, ~2636=15...(8) HB3 LEU 123 + QG2 THR 83 OK 11 28 - 40 - ~9755=10, 3.2/11583=9...(7) HB3 LEU 122 - QG2 THR 83 lone 7 98 - 7 - 2511/3.2=2, 7139/11241=2...(4) HB3 LEU 103 - QG2 THR 83 lone 6 99 - 6 - 2511/3.2=2, 7139/11241=1 HB3 LEU 98 - QG2 THR 83 lone 5 87 - 5 - 1.8/9759=1 Peak 11269 from cnoeabs.peaks (4.73, 4.25, 59.13 ppm; 4.25 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11272 from cnoeabs.peaks (4.16, 1.81, 29.31 ppm; 5.25 A): 1 out of 1 assignment used, quality = 0.82: HB THR 83 + HB2 ARG 84 OK 82 92 - 89 - 11274/3.0=44...(8) Peak 11273 from cnoeabs.peaks (4.16, 1.90, 29.31 ppm; 5.00 A): 1 out of 1 assignment used, quality = 0.80: HB THR 83 + HB3 ARG 84 OK 80 92 - 87 - 11274/3.0=42...(7) Peak 11274 from cnoeabs.peaks (4.17, 4.25, 59.13 ppm; 3.69 A): 1 out of 1 assignment used, quality = 0.75: HB THR 83 + HA ARG 84 OK 75 99 - 76 - 7088/2.8=31...(9) Peak 11275 from cnoeabs.peaks (4.01, 4.25, 59.13 ppm; 5.16 A): 1 out of 7 assignments used, quality = 0.59: HA ARG 135 + HA ARG 84 OK 59 96 - 62 - 3.0/2524=14, 3.0/2523=10...(15) HA LEU 103 - HA ARG 84 lone 7 98 - 7 - 11709/9784=5 HB2 SER 38 - HA ARG 84 lone 3 100 - 3 - HA ILE 37 - HA ARG 84 lone 2 81 - 2 - HA LYS 95 - HA ARG 84 lone 2 87 - 2 - HA SER 60 - HA ARG 84 lone 2 96 - 2 - HB3 SER 99 - HA ARG 84 lone 2 73 - 2 - Peak 11278 from cnoeabs.peaks (1.64, 2.82, 37.63 ppm; 4.99 A): 2 out of 3 assignments used, quality = 0.73: HG3 ARG 84 + HB3 ASN 85 OK 48 100 - 48 - 7106/3.6=16, ~11279=11...(8) HG2 ARG 84 + HB3 ASN 85 OK 48 100 - 48 - 7106/3.6=16, ~11279=11...(8) HG LEU 43 - HB3 ASN 85 lone 5 87 - 6 - 1374/4.4=3, 7105/3.6=1 Peak 11280 from cnoeabs.peaks (7.06, 3.89, 60.84 ppm; 6.70 A): 2 out of 2 assignments used, quality = 0.77: QD PHE 89 + HA LYS 86 OK 70 81 - 87 - 2.7/2623=42, 4.2/2621=37...(8) HE ARG 135 + HA LYS 86 OK 22 81 - 28 - 9747/9820=8, ~9817=8...(5) Peak 11281 from cnoeabs.peaks (8.79, 3.89, 60.84 ppm; 6.00 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11282 from cnoeabs.peaks (0.82, 1.95, 32.72 ppm; 4.24 A): 4 out of 4 assignments used, quality = 0.95: HG13 ILE 80 + HB3 LYS 86 OK 71 96 - 75 - ~9820=17, 2.1/9825=12...(15) QG2 ILE 80 + HB3 LYS 86 OK 55 87 - 63 - ~9820=13, 3.1/9825=12...(13) QG2 ILE 129 + HB3 LYS 86 OK 44 99 - 44 - 9753/4.0=15...(12) QD1 LEU 70 + HB3 LYS 86 OK 25 100 - 25 - 2261/3.0=5, 9831/4.6=4...(11) Peak 11283 from cnoeabs.peaks (0.82, 1.66, 29.87 ppm; 3.94 A): 8 out of 8 assignments used, quality = 0.94: HG13 ILE 80 + HD3 LYS 86 OK 45 100 - 45 - 11282/3.5=8, 9813/5.6=7...(10) HG13 ILE 80 + HD2 LYS 86 OK 45 100 - 45 - 11282/3.5=8, 9813/5.6=7...(10) QG2 ILE 129 + HD3 LYS 86 OK 33 100 - 33 - 10481/3.0=9, 9753/5.6=8...(8) QG2 ILE 129 + HD2 LYS 86 OK 33 100 - 33 - 10481/3.0=9, 9753/5.6=8...(8) QG2 ILE 80 + HD2 LYS 86 OK 24 65 - 36 - ~11167=7, 11282/3.5=6...(9) QG2 ILE 80 + HD3 LYS 86 OK 24 65 - 36 - ~11167=7, 11282/3.5=6...(9) QD1 LEU 70 + HD2 LYS 86 OK 12 96 - 12 - 11282/3.5=3, 11777/3.0=3...(4) QD1 LEU 70 + HD3 LYS 86 OK 12 96 - 12 - 11282/3.5=3, 11777/3.0=3...(4) Peak 11284 from cnoeabs.peaks (1.07, 1.66, 29.87 ppm; 4.25 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11285 from cnoeabs.peaks (1.18, 1.66, 29.87 ppm; 3.72 A): 4 out of 6 assignments used, quality = 0.81: QG2 VAL 77 + HD3 LYS 86 OK 47 96 - 49 - 11742/3.0=21, ~9650=10...(9) QG2 VAL 77 + HD2 LYS 86 OK 47 96 - 49 - 11742/3.0=21, ~9650=10...(9) QG2 THR 18 + HD2 LYS 86 OK 17 87 - 20 - 9824/3.5=7, 11286/3.0=7...(4) QG2 THR 18 + HD3 LYS 86 OK 17 87 - 20 - 9824/3.5=7, 11286/3.0=7...(4) QB ALA 41 - HD2 LYS 86 lone 3 81 - 3 - 11286/3.0=1 QB ALA 41 - HD3 LYS 86 lone 3 81 - 3 - 11286/3.0=1 Peak 11286 from cnoeabs.peaks (1.17, 1.47, 25.00 ppm; 4.46 A): 1 out of 3 assignments used, quality = 0.49: QG2 THR 18 + HG3 LYS 86 OK 49 98 - 50 - 9824/3.0=27, ~10689=15...(7) HG12 ILE 32 - HG3 LYS 86 lone 8 87 - 10 - 9824/3.0=4, 10843/3.0=2 QB ALA 41 - HG3 LYS 86 lone 7 99 - 7 - 9824/3.0=4 Peak 11287 from cnoeabs.peaks (3.75, 1.66, 29.87 ppm; 5.06 A): 2 out of 2 assignments used, quality = 0.93: HA THR 83 + HD3 LYS 86 OK 74 100 - 74 - 2636/3.5=34, 2624/3.5=28...(8) HA THR 83 + HD2 LYS 86 OK 74 100 - 74 - 2636/3.5=34, 2624/3.5=28...(8) Peak 11288 from cnoeabs.peaks (1.78, 4.26, 61.26 ppm; 6.23 A): 1 out of 4 assignments used, quality = 0.48: HB3 LEU 98 + HA PHE 87 OK 48 100 - 49 - 11289/3.0=19...(6) HB2 LEU 48 - HA PHE 87 lone 9 98 - 9 - 11289/3.0=4, 11289/3.0=2 HB3 LEU 103 - HA PHE 87 poor 7 65 - 11 - 7156/2.9=3, 11289/3.0=2...(4) HG LEU 100 - HA PHE 87 lone 4 81 - 4 - 11289/3.0=1 Peak 11289 from cnoeabs.peaks (1.78, 3.23, 38.18 ppm; 5.11 A): 2 out of 8 assignments used, quality = 0.57: HB3 LEU 98 + HB2 PHE 87 OK 40 100 - 40 - 11288/3.0=17...(5) HB3 LEU 98 + HB3 PHE 87 OK 29 73 - 40 - 11288/3.0=17, ~9834=9...(5) HB2 LEU 48 - HB2 PHE 87 lone 7 98 - 7 - 11288/3.0=3, 3162/9834=1 HB3 LEU 103 - HB2 PHE 87 lone 5 65 - 7 - 11288/3.0=3, 7156/4.0=2 HB2 LEU 48 - HB3 PHE 87 lone 5 69 - 7 - 11288/3.0=3 HB3 LEU 103 - HB3 PHE 87 lone 3 41 - 7 - 11288/3.0=3, 7156/4.0=2 HG LEU 100 - HB2 PHE 87 lone 2 81 - 3 - 11288/3.0=1 HG LEU 100 - HB3 PHE 87 lone 1 52 - 3 - 11288/3.0=1 Peak 11290 from cnoeabs.peaks (7.06, 1.66, 18.14 ppm; 5.34 A): 0 out of 2 assignments used, low quality = 0.41: HE ARG 135 - QB ALA 88 OK 27 96 - 28 - 2.9/11294=8, ~7180=4...(8) QD PHE 89 - QB ALA 88 OK 20 57 - 35 - 4.2/7195=25...(4) Peak 11291 from cnoeabs.peaks (6.93, 1.66, 18.14 ppm; 5.52 A): 0 out of 1 assignment used, low quality = 0.00: HE21 GLN 82 - QB ALA 88 lone 4 98 - 5 - 10621/11294=3 Peak 11292 from cnoeabs.peaks (7.07, 4.20, 54.89 ppm; 6.80 A): 0 out of 1 assignment used, low quality = 0.28: QD PHE 89 - HA ALA 88 OK 28 99 - 28 - 5.0/7208=23, 11290/2.1=3 Peak 11293 from cnoeabs.peaks (4.10, 1.66, 18.14 ppm; 4.99 A): 0 out of 6 assignments used, low quality = 0.42: HA GLN 101 - QB ALA 88 OK 42 100 - 42 - 3281/3.0=11, ~11820=10...(9) HA LEU 98 - QB ALA 88 lone 7 96 - 7 - 10539/10533=2 HA ILE 32 - QB ALA 88 lone 4 81 - 5 - 10859/10860=2 HA CYS 79 - QB ALA 88 lone 4 96 - 4 - 10539/10533=2 HA LEU 49 - QB ALA 88 lone 2 92 - 2 - HA LEU 48 - QB ALA 88 lone 1 81 - 2 - Peak 11294 from cnoeabs.peaks (3.23, 1.66, 18.14 ppm; 4.25 A): 3 out of 5 assignments used, quality = 0.91: HB3 PHE 87 + QB ALA 88 OK 67 100 - 67 - 4.5/7185=20, 4.0/9851=15...(9) HB2 PHE 87 + QB ALA 88 OK 61 92 - 67 - 4.5/7185=20, 4.0/9851=15...(8) HD3 ARG 135 + QB ALA 88 OK 31 100 - 31 - 2.9/11290=13...(7) HB3 HIS 4 - QB ALA 88 lone 1 98 - 1 - HB2 HIS 5 - QB ALA 88 lone 1 98 - 1 - Peak 11295 from cnoeabs.peaks (8.55, 1.66, 18.14 ppm; 5.58 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11296 from cnoeabs.peaks (7.98, 3.79, 59.97 ppm; 5.60 A): 0 out of 3 assignments used, low quality = 0.27: H SER 51 - HA ARG 90 OK 19 96 - 20 - 9221/3.0=6, 6639/4.8=4...(7) H SER 38 - HA ARG 90 OK 10 99 - 10 - 10878/9897=2...(4) H THR 18 - HA ARG 90 lone 5 81 - 6 - 4.0/9898=3 Peak 11297 from cnoeabs.peaks (8.44, 3.79, 59.97 ppm; 4.41 A): 2 out of 5 assignments used, quality = 0.90: H VAL 93 + HA ARG 90 OK 87 99 - 88 - 7262=38, 3.9/9900=28...(9) H ALA 34 + HA ARG 90 OK 23 92 - 26 - 2.9/9897=11, 7279/7275=3...(9) H ASN 13 - HA ARG 90 lone 6 100 - 6 - 10653/3.8=2 H ALA 12 - HA ARG 90 lone 5 73 - 6 - 4.6/11757=3, 4.4/2787=1 H ASN 116 - HA ARG 90 lone 2 57 - 4 - 11513/2783=2, 11514/2.9=1 Peak 11298 from cnoeabs.peaks (7.33, 1.91, 29.98 ppm; 5.48 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11301 from cnoeabs.peaks (8.68, 1.73, 28.15 ppm; 6.32 A): 0 out of 2 assignments used, low quality = 0.41: H PHE 89 - HG3 ARG 90 OK 33 57 - 58 - 11302/1.8=34...(4) H LYS 39 - HG3 ARG 90 OK 12 57 - 20 - 11302/1.8=12, 7209/4.6=6 Peak 11302 from cnoeabs.peaks (8.68, 2.02, 28.15 ppm; 5.55 A): 2 out of 2 assignments used, quality = 0.48: H PHE 89 + HG2 ARG 90 OK 39 81 - 49 - 4.1/2814=26...(4) H LYS 39 + HG2 ARG 90 OK 14 81 - 18 - 11301/1.8=8, 7209/4.6=7 Peak 11303 from cnoeabs.peaks (1.18, 1.73, 28.15 ppm; 4.18 A): 1 out of 3 assignments used, quality = 0.83: QG2 VAL 77 + HG3 ARG 90 OK 83 100 - 83 - 9663=27, 9676/4.0=27...(11) QG2 THR 25 - HG3 ARG 90 poor 9 81 - 11 - ~10694=5, 11841/4.0=2...(4) QG2 THR 18 - HG3 ARG 90 lone 1 65 - 2 - Peak 11304 from cnoeabs.peaks (1.18, 3.17, 43.40 ppm; 3.66 A): 2 out of 4 assignments used, quality = 0.97: QG2 VAL 77 + HD3 ARG 90 OK 85 100 - 86 - 9676/2.9=28...(12) QG2 VAL 77 + HD2 ARG 90 OK 82 96 - 85 - 9676/2.9=28...(12) QG2 THR 25 - HD3 ARG 90 lone 7 87 - 8 - ~10694=3, 11303/3.0=2 QG2 THR 25 - HD2 ARG 90 lone 7 79 - 8 - ~10694=3, 11303/3.0=2 Peak 11305 from cnoeabs.peaks (1.05, 3.17, 43.40 ppm; 3.89 A): 2 out of 2 assignments used, quality = 0.75: QG1 VAL 77 + HD3 ARG 90 OK 52 65 - 80 - ~9676=18, 2.1/11304=18...(13) QG1 VAL 77 + HD2 ARG 90 OK 47 58 - 80 - ~9676=18, 2.1/11304=17...(13) Peak 11306 from cnoeabs.peaks (1.04, 1.73, 28.15 ppm; 5.03 A): 0 out of 1 assignment used, low quality = 0.31: QG2 VAL 133 - HG3 ARG 90 OK 31 99 - 31 - 11846/1.8=24...(3) Peak 11307 from cnoeabs.peaks (1.38, 3.98, 58.93 ppm; 5.19 A): 0 out of 11 assignments used, low quality = 0.16: HB2 LEU 96 - HA GLU 91 OK 16 92 - 17 - 3067/4.9=4, 3069/3.9=3...(6) QB ALA 29 - HA GLU 91 lone 9 92 - 9 - ~10785=8 HG2 LYS 36 - HA GLU 91 lone 7 92 - 8 - 5.0/2857=4, 1006/2857=3 HG3 LYS 26 - HA GLU 91 lone 5 87 - 6 - ~9902=4 HB2 LEU 42 - HA GLU 91 lone 2 98 - 2 - HB3 LEU 100 - HA GLU 91 lone 2 96 - 2 - HG2 LYS 24 - HA GLU 91 lone 2 96 - 2 - QB ALA 15 - HA GLU 91 lone 1 81 - 1 - QB ALA 110 - HA GLU 91 lone 1 81 - 1 - QB ALA 28 - HA GLU 91 lone 1 73 - 1 - QB ALA 108 - HA GLU 91 lone 1 65 - 1 - Peak 11308 from cnoeabs.peaks (1.41, 1.99, 28.84 ppm; 4.61 A): 0 out of 3 assignments used, low quality = 0.39: QB ALA 16 - HB2 GLU 91 OK 23 73 - 31 - 11309/1.8=22, 9914/3.0=9 QB ALA 34 - HB2 GLU 91 OK 21 87 - 24 - 11309/1.8=13, ~9915=6, ~9916=6 HG2 LYS 86 - HB2 GLU 91 lone 4 73 - 6 - 2658/4.0=2, 10445/2865=1 Peak 11309 from cnoeabs.peaks (1.41, 2.03, 28.84 ppm; 4.86 A): 2 out of 2 assignments used, quality = 0.47: QB ALA 16 + HB3 GLU 91 OK 34 92 - 37 - 11308/1.8=20...(3) QB ALA 34 + HB3 GLU 91 OK 19 65 - 30 - 11308/1.8=18, ~9915=7, ~9916=6 Peak 11311 from cnoeabs.peaks (8.12, 4.05, 55.00 ppm; 6.80 A): 3 out of 3 assignments used, quality = 0.87: H GLU 91 + HA ALA 92 OK 75 96 - 78 - 7243/2.9=46, 7263/3.6=36...(4) H ASN 121 + HA ALA 92 OK 37 100 - 36 - 7704/11312=9, 2850/4.9=7...(8) H PHE 87 + HA ALA 92 OK 19 92 - 21 - 7158/2.1=5, 2850/4.9=4...(5) Peak 11312 from cnoeabs.peaks (8.26, 4.05, 55.00 ppm; 5.98 A): 0 out of 3 assignments used, low quality = 0.39: H LEU 123 - HA ALA 92 OK 31 100 - 31 - 4.2/7760=6, 3.3/7728=6...(10) H GLU 30 - HA ALA 92 OK 11 99 - 11 - 7742=1, 7704/11311=1 H ASP 131 - HA ALA 92 lone 4 57 - 7 - 10510/9941=2, 7307/2894=1 Peak 11315 from cnoeabs.peaks (2.23, 1.43, 18.02 ppm; 4.31 A): 4 out of 7 assignments used, quality = 0.96: HG2 GLU 91 + QB ALA 92 OK 76 98 - 77 - 2882/3.0=29, ~2889=19...(10) HB3 GLU 128 + QB ALA 92 OK 61 92 - 66 - 3.0/10446=23...(9) HB3 GLU 102 + QB ALA 92 OK 35 100 - 35 - 3.0/11319=9, 3342/2.1=5...(11) HB3 LEU 96 + QB ALA 92 OK 32 87 - 37 - 9926/3.7=5, 3.2/11821=5...(13) HB3 GLN 127 - QB ALA 92 OK 26 96 - 27 - 4.7/10439=9, 1.8/11316=6...(6) HB3 GLN 104 - QB ALA 92 OK 18 73 - 24 - 3.0/2897=9, ~7247=4...(6) HG2 GLN 68 - QB ALA 92 lone 8 100 - 7 - 7254/3.0=2, 9926/3.7=1 Peak 11316 from cnoeabs.peaks (2.05, 1.43, 18.02 ppm; 4.23 A): 4 out of 8 assignments used, quality = 0.53: HB3 GLU 55 + QB ALA 92 OK 21 87 - 24 - 3.0/9949=21, ~7252=3 HG3 PRO 81 + QB ALA 92 OK 18 96 - 19 - ~2896=3, ~2895=3...(8) HB2 LEU 62 + QB ALA 92 OK 16 65 - 25 - 1.8/9947=9, 3.0/11318=7...(4) HB2 GLN 127 + QB ALA 92 OK 13 65 - 20 - 4.7/10439=8, 3.0/11319=5...(4) HG3 PRO 117 - QB ALA 92 lone 7 98 - 7 - 2.3/11319=3 HG2 PRO 117 - QB ALA 92 lone 6 87 - 7 - 2.3/11319=3 HB VAL 118 - QB ALA 92 lone 2 65 - 3 - QE MET 11 - QB ALA 92 lone 1 81 - 1 - Peak 11317 from cnoeabs.peaks (1.75, 1.43, 18.02 ppm; 3.91 A): 2 out of 6 assignments used, quality = 0.72: HG13 ILE 129 + QB ALA 92 OK 66 98 - 67 - 2.1/10491=24...(8) HB2 LYS 26 + QB ALA 92 OK 19 98 - 19 - 4.5/6264=3, 1.8/619=2...(9) HB2 LYS 19 - QB ALA 92 lone 7 98 - 7 - 3.9/11318=2, 3.9/11318=2 HB2 LYS 24 - QB ALA 92 lone 4 100 - 4 - HB2 LYS 31 - QB ALA 92 lone 4 96 - 4 - HB2 ARG 23 - QB ALA 92 lone 1 73 - 1 - Peak 11318 from cnoeabs.peaks (1.64, 1.43, 18.02 ppm; 4.26 A): 3 out of 8 assignments used, quality = 0.50: HG LEU 43 + QB ALA 92 OK 24 100 - 25 - 9941/2.1=12, 2.1/11821=6...(6) HG LEU 62 + QB ALA 92 OK 23 92 - 26 - 9941/2.1=10, 3.0/9947=7...(4) HB2 LEU 123 + QB ALA 92 OK 15 81 - 18 - ~9939=16 HB2 LEU 98 - QB ALA 92 poor 9 65 - 14 - ~11731=12 HD3 LYS 19 - QB ALA 92 lone 8 87 - 10 - 9941/2.1=3, ~9941=2, 3.9/11317=2 HD2 LYS 19 - QB ALA 92 lone 8 87 - 10 - 9941/2.1=3, ~9941=2, 3.9/11317=2 HG2 ARG 84 - QB ALA 92 lone 6 87 - 7 - 9941/2.1=3, ~9941=3 HG3 ARG 84 - QB ALA 92 lone 6 87 - 7 - 9941/2.1=3, ~9941=3 Peak 11319 from cnoeabs.peaks (2.36, 1.43, 18.02 ppm; 4.18 A): 4 out of 5 assignments used, quality = 0.61: HG2 GLU 102 + QB ALA 92 OK 25 100 - 25 - 3349/2.1=5, 3.0/11315=4...(9) HG3 GLN 27 + QB ALA 92 OK 23 100 - 23 - 3.0/9948=13, 10765=6, 4.6/6264=3 HG2 GLN 27 + QB ALA 92 OK 20 92 - 22 - 3.0/9948=13, 1.8/10765=5 HG2 GLN 127 + QB ALA 92 OK 14 98 - 15 - 3.0/11316=5, 3.0/11315=3 HB2 PRO 117 - QB ALA 92 lone 8 96 - 8 - 2.3/11316=3, 2.3/11316=2 Peak 11321 from cnoeabs.peaks (0.83, 3.25, 66.81 ppm; 5.18 A): 2 out of 3 assignments used, quality = 0.85: QG2 ILE 129 + HA VAL 93 OK 79 92 - 86 - 3.0/10461=39, ~10487=24...(15) QD1 LEU 70 + HA VAL 93 OK 27 73 - 37 - ~9485=27, 11097/7293=5...(5) HG13 ILE 80 - HA VAL 93 lone 8 98 - 8 - 4163/10461=4, ~11325=2 Peak 11322 from cnoeabs.peaks (0.84, 0.75, 21.32 ppm; 2.76 A): 0 out of 2 assignments used, low quality = 0.00: QG1 VAL 133 - QG1 VAL 93 lone 8 92 - 9 - 4.3/10593=1...(4) QD2 LEU 22 - QG1 VAL 93 lone 1 100 - 1 - Peak 11323 from cnoeabs.peaks (1.70, 0.75, 21.32 ppm; 4.38 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11324 from cnoeabs.peaks (1.64, 0.75, 21.32 ppm; 4.99 A): 1 out of 7 assignments used, quality = 0.62: HG LEU 43 + QG1 VAL 93 OK 62 100 - 63 - 9225/4.3=22, ~11325=11...(14) HB2 LEU 123 - QG1 VAL 93 poor 8 73 - 11 - 1.8/2926=2, ~2920=2...(4) HG LEU 62 - QG1 VAL 93 lone 7 87 - 8 - 9225/4.3=2 HG3 ARG 84 - QG1 VAL 93 lone 5 92 - 6 - 9225/4.3=2, 3.9/9963=1 HG2 ARG 84 - QG1 VAL 93 lone 5 92 - 6 - 9225/4.3=2, 3.9/9963=1 HD2 LYS 19 - QG1 VAL 93 lone 3 81 - 3 - HD3 LYS 19 - QG1 VAL 93 lone 3 81 - 3 - Peak 11325 from cnoeabs.peaks (1.73, 0.29, 23.10 ppm; 4.55 A): 2 out of 3 assignments used, quality = 0.66: HG3 ARG 90 + QG2 VAL 93 OK 43 100 - 43 - 3.8/9900=27, 4.6/9896=20 HB2 LEU 43 + QG2 VAL 93 OK 40 87 - 46 - ~11324=13, 1356/2.1=7...(12) HB ILE 80 - QG2 VAL 93 lone 8 96 - 8 - 2788/9900=2, 7220/9896=2 Peak 11326 from cnoeabs.peaks (7.41, 0.29, 23.10 ppm; 4.49 A): 0 out of 1 assignment used, low quality = 0.42: QE PHE 89 - QG2 VAL 93 OK 42 81 - 52 - 2.2/9924=32...(5) Peak 11327 from cnoeabs.peaks (8.28, 0.29, 23.10 ppm; 5.38 A): 4 out of 4 assignments used, quality = 0.92: H LEU 96 + QG2 VAL 93 OK 84 92 - 92 - 9983=35, 7311/3.2=31...(15) H LEU 43 + QG2 VAL 93 OK 28 73 - 38 - 3.9/11325=16, ~1345=6...(7) H ASP 131 + QG2 VAL 93 OK 15 65 - 24 - 7288/4.3=8, 2908/3.2=6...(7) H GLU 40 + QG2 VAL 93 OK 15 100 - 15 - 2908/3.2=2, 7288/4.3=2...(5) Peak 11328 from cnoeabs.peaks (8.85, 0.29, 23.10 ppm; 5.61 A): 1 out of 1 assignment used, quality = 0.85: H CYS 73 + QG2 VAL 93 OK 85 96 - 89 - 3.8/9576=36, 2.9/9571=33...(9) Peak 11329 from cnoeabs.peaks (8.82, 0.75, 21.32 ppm; 6.24 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11330 from cnoeabs.peaks (8.27, 0.75, 21.32 ppm; 4.97 A): 2 out of 4 assignments used, quality = 0.74: H LEU 96 + QG1 VAL 93 OK 62 73 - 85 - 3.8/9973=22, ~9981=19...(15) H ASP 131 + QG1 VAL 93 OK 32 96 - 33 - 10510/11324=7...(11) H LEU 123 - QG1 VAL 93 lone 5 81 - 6 - 3.9/11324=2, 3.9/2926=2 H GLU 30 - QG1 VAL 93 lone 2 96 - 2 - Peak 11331 from cnoeabs.peaks (7.79, 0.75, 21.32 ppm; 5.51 A): 0 out of 2 assignments used, low quality = 0.17: HD22 ASN 59 - QG1 VAL 93 OK 17 100 - 17 - 9922/2.1=10, 4.4/9362=6 H GLY 75 - QG1 VAL 93 lone 3 96 - 3 - 9595/3104=1 Peak 11332 from cnoeabs.peaks (7.69, 0.75, 21.32 ppm; 5.10 A): 0 out of 2 assignments used, low quality = 0.11: H GLN 101 - QG1 VAL 93 OK 11 65 - 17 - 4.7/9972=8, 4.6/2926=4...(5) H CYS 45 - QG1 VAL 93 lone 9 100 - 9 - 3.4/6524=6, 6535/6510=2 Peak 11333 from cnoeabs.peaks (7.40, 0.75, 21.32 ppm; 5.49 A): 1 out of 1 assignment used, quality = 0.67: QE PHE 89 + QG1 VAL 93 OK 67 99 - 67 - ~9924=33, ~9883=24...(6) Peak 11334 from cnoeabs.peaks (7.32, 0.75, 21.32 ppm; 5.66 A): 2 out of 2 assignments used, quality = 0.56: H ARG 135 + QG1 VAL 93 OK 39 92 - 42 - 10556/11322=14...(6) QD PHE 87 + QG1 VAL 93 OK 29 100 - 29 - 9923/2.1=20...(3) Peak 11335 from cnoeabs.peaks (0.89, 4.23, 61.64 ppm; 4.59 A): 0 out of 3 assignments used, low quality = 0.00: QD2 LEU 123 - HA SER 94 lone 6 98 - 7 - ~7281=2, 3.2/11573=1 QG2 VAL 20 - HA SER 94 lone 6 96 - 6 - ~11339=5 QD1 LEU 22 - HA SER 94 lone 1 81 - 1 - Peak 11336 from cnoeabs.peaks (0.76, 4.23, 61.64 ppm; 4.54 A): 0 out of 2 assignments used, low quality = 0.39: QD1 LEU 96 - HA SER 94 OK 27 73 - 37 - 9980/3.6=21, 4.6/7313=8...(4) QD2 LEU 43 - HA SER 94 OK 16 65 - 24 - ~9225=16, 9980/3.6=8, 7283/2.9=1 Peak 11338 from cnoeabs.peaks (1.48, 3.90, 62.72 ppm; 5.11 A): 0 out of 3 assignments used, low quality = 0.28: QB ALA 52 - HB2 SER 94 OK 28 99 - 29 - 9224/3.6=13, 1635/4.4=7...(4) HG3 LYS 86 - HB2 SER 94 lone 3 81 - 4 - 9224/3.6=2 HG LEU 42 - HB2 SER 94 lone 2 92 - 2 - Peak 11339 from cnoeabs.peaks (0.92, 3.90, 62.72 ppm; 4.25 A): 0 out of 7 assignments used, low quality = 0.15: QD1 LEU 49 - HB2 SER 94 OK 15 98 - 15 - 2.1/11340=9, 3.2/1555=2...(4) QG1 VAL 20 - HB2 SER 94 lone 7 73 - 10 - ~11335=8 QD2 LEU 48 - HB2 SER 94 lone 3 81 - 4 - QD1 LEU 62 - HB2 SER 94 lone 3 99 - 3 - QG2 VAL 63 - HB2 SER 94 lone 2 92 - 3 - 2.1/11340=1 QD1 LEU 48 - HB2 SER 94 lone 1 73 - 2 - QG2 VAL 112 - HB2 SER 94 lone 1 73 - 1 - Peak 11340 from cnoeabs.peaks (0.79, 3.90, 62.72 ppm; 5.98 A): 2 out of 5 assignments used, quality = 0.47: QD2 LEU 49 + HB2 SER 94 OK 31 92 - 34 - 2.1/11339=23, 3.2/1555=4...(4) QD1 LEU 53 + HB2 SER 94 OK 23 99 - 24 - 1670/4.4=13, 4.3/2943=8 QG1 VAL 63 - HB2 SER 94 lone 4 65 - 6 - 2.1/11339=4 QD2 LEU 119 - HB2 SER 94 lone 3 65 - 4 - QD2 LEU 122 - HB2 SER 94 lone 2 92 - 3 - Peak 11341 from cnoeabs.peaks (8.50, 4.02, 59.62 ppm; 5.25 A): 1 out of 1 assignment used, quality = 0.93: H GLU 97 + HA LYS 95 OK 93 100 - 93 - 7330/3.6=45, 7335/2.9=41...(12) Peak 11343 from cnoeabs.peaks (0.86, 4.02, 59.62 ppm; 3.86 A): 3 out of 4 assignments used, quality = 0.78: QD1 LEU 98 + HA LYS 95 OK 66 99 - 66 - 3.1/2963=18, 4.8/2961=16...(14) QD2 LEU 70 + HA LYS 95 OK 21 73 - 28 - ~11097=13, 11355/3.6=7...(7) QD2 LEU 69 + HA LYS 95 OK 18 92 - 20 - ~11082=13, 9979/2.9=4 QG2 VAL 57 - HA LYS 95 lone 7 99 - 7 - 9979/2.9=1, 9316/3158=1 Peak 11350 from cnoeabs.peaks (0.81, 1.94, 32.34 ppm; 4.25 A): 4 out of 8 assignments used, quality = 0.64: QD1 LEU 70 + HB3 LYS 95 OK 26 92 - 28 - 11097/4.0=17...(3) QG2 ILE 80 + HB3 LYS 95 OK 24 100 - 24 - 11174=9, 11174/1.8=8...(7) QD1 LEU 70 + HB2 LYS 95 OK 21 75 - 28 - 11097/4.0=17...(3) QG2 ILE 80 + HB2 LYS 95 OK 20 87 - 23 - 11174=9, 11174/1.8=8...(5) QD1 LEU 122 - HB3 LYS 95 lone 5 81 - 5 - QD1 LEU 122 - HB2 LYS 95 lone 3 64 - 5 - QG2 ILE 129 - HB3 LYS 95 lone 1 73 - 2 - QG2 ILE 129 - HB2 LYS 95 lone 1 57 - 2 - Peak 11351 from cnoeabs.peaks (7.80, 2.88, 41.80 ppm; 4.64 A): 0 out of 2 assignments used, low quality = 0.31: HD22 ASN 59 - HE3 LYS 95 OK 17 57 - 29 - 1.7/6727=7, ~6727=6...(7) HD22 ASN 59 - HE2 LYS 95 OK 17 57 - 29 - 1.7/6727=7, ~6727=6...(7) Peak 11352 from cnoeabs.peaks (8.01, 2.88, 41.80 ppm; 5.51 A): 0 out of 4 assignments used, low quality = 0.00: H ILE 129 - HE2 LYS 95 lone 2 65 - 3 - H ILE 129 - HE3 LYS 95 lone 2 65 - 3 - H VAL 57 - HE2 LYS 95 lone 2 92 - 2 - H VAL 57 - HE3 LYS 95 lone 2 92 - 2 - Peak 11353 from cnoeabs.peaks (3.77, 0.77, 23.84 ppm; 4.88 A): 4 out of 4 assignments used, quality = 0.93: HA GLU 97 + QD1 LEU 96 OK 79 87 - 91 - 2.8/3106=38, ~3098=26...(13) HA VAL 133 + QD1 LEU 96 OK 53 100 - 54 - 3.2/11678=25, ~11825=23...(5) HB3 SER 130 + QD1 LEU 96 OK 18 87 - 20 - 4.6/3099=7...(6) HB2 SER 99 + QD1 LEU 96 OK 12 65 - 18 - 3208/4.0=9, ~3207=5, 7344/3106=3 Peak 11354 from cnoeabs.peaks (0.64, 2.23, 41.04 ppm; 5.71 A): 2 out of 2 assignments used, quality = 0.85: QD1 ILE 129 + HB3 LEU 96 OK 69 92 - 76 - 9982/3.8=26, 9994/4.4=13...(19) QD1 LEU 42 + HB3 LEU 96 OK 51 99 - 51 - 9994/4.4=16, 1325/1.8=8...(14) Peak 11357 from cnoeabs.peaks (8.28, 3.76, 59.92 ppm; 5.36 A): 4 out of 4 assignments used, quality = 0.82: H SER 99 + HA GLU 97 OK 70 81 - 87 - 3.4/3114=39, 7373/2.8=31...(11) H LEU 43 + HA GLU 97 OK 24 98 - 24 - 7350/2.8=7, 7368/3.6=5...(7) H VAL 126 + HA GLU 97 OK 14 87 - 16 - 7368/3.6=4, 7350/2.8=3...(5) H GLU 40 + HA GLU 97 OK 11 96 - 12 - 7337/2.8=3, 7354/3.6=2...(4) Peak 11358 from cnoeabs.peaks (4.23, 2.42, 35.12 ppm; 4.91 A): 4 out of 7 assignments used, quality = 0.90: HA SER 94 + HG3 GLU 97 OK 81 100 - 81 - 2936/2.9=36, 2937/2.9=34...(7) HA ALA 34 + HG3 GLU 97 OK 22 81 - 28 - ~11362=11, 11359/1.8=6...(5) HA ALA 29 + HG3 GLU 97 OK 20 98 - 20 - 11359/1.8=5, 3117/2.9=5...(6) HA ALA 28 + HG3 GLU 97 OK 20 87 - 22 - 11359/1.8=6, 3125/2.9=4...(6) HA GLU 30 - HG3 GLU 97 lone 7 87 - 7 - 11359/1.8=2, 3125/2.9=1...(4) HA SER 124 - HG3 GLU 97 lone 6 65 - 10 - 4.9/11593=3, 11359/1.8=1...(4) HB3 SER 38 - HG3 GLU 97 lone 3 65 - 5 - 7334/4.6=1 Peak 11359 from cnoeabs.peaks (4.23, 2.27, 35.12 ppm; 3.74 A): 4 out of 7 assignments used, quality = 0.72: HA SER 94 + HG2 GLU 97 OK 58 100 - 58 - 2937/2.9=23, 2936/2.9=23...(6) HA ALA 34 + HG2 GLU 97 OK 13 81 - 17 - ~11362=6, 3125/2.9=4...(5) HA ALA 28 + HG2 GLU 97 OK 12 87 - 14 - 2.1/11361=4, 3125/2.9=3...(5) HA ALA 29 + HG2 GLU 97 OK 11 98 - 11 - 3125/2.9=3, 3117/2.9=3...(4) HA GLU 30 - HG2 GLU 97 lone 4 87 - 4 - HA SER 124 - HG2 GLU 97 lone 2 65 - 4 - HB3 SER 38 - HG2 GLU 97 lone 2 65 - 3 - Peak 11361 from cnoeabs.peaks (1.39, 2.27, 35.12 ppm; 4.39 A): 1 out of 9 assignments used, quality = 0.46: HG LEU 96 + HG2 GLU 97 OK 46 87 - 53 - ~11695=19, ~11849=18...(6) QB ALA 28 - HG2 GLU 97 poor 10 73 - 13 - 2.1/11359=5, ~11358=3...(4) HG2 LYS 95 - HG2 GLU 97 lone 5 96 - 5 - 10018/3139=2, 7339/4.6=1 HG3 LYS 31 - HG2 GLU 97 lone 4 100 - 4 - 7341/4.6=3 HG3 LYS 95 - HG2 GLU 97 lone 4 87 - 5 - 10018/3139=2, 7339/4.6=2 QB ALA 109 - HG2 GLU 97 lone 3 98 - 3 - QB ALA 108 - HG2 GLU 97 lone 1 81 - 1 - QB ALA 110 - HG2 GLU 97 lone 1 65 - 1 - QB ALA 15 - HG2 GLU 97 lone 1 65 - 1 - Peak 11362 from cnoeabs.peaks (1.41, 2.21, 28.66 ppm; 4.69 A): 0 out of 2 assignments used, low quality = 0.23: QB ALA 16 - HB3 GLU 97 OK 13 87 - 15 - 11363/1.8=9, 10010/2.9=4 QB ALA 34 - HB3 GLU 97 OK 12 73 - 16 - 2.1/3125=6, ~3117=4...(4) Peak 11363 from cnoeabs.peaks (1.40, 2.14, 28.66 ppm; 4.96 A): 2 out of 2 assignments used, quality = 0.77: HG LEU 96 + HB2 GLU 97 OK 66 81 - 82 - 2.1/11695=37...(12) QB ALA 16 + HB2 GLU 97 OK 32 100 - 32 - 11362/1.8=17...(5) Peak 11364 from cnoeabs.peaks (1.80, 2.21, 28.66 ppm; 4.47 A): 1 out of 4 assignments used, quality = 0.51: HB3 LEU 103 + HB3 GLU 97 OK 51 98 - 52 - ~11851=18, ~11850=16...(8) HB3 LEU 122 - HB3 GLU 97 lone 6 99 - 6 - 11730/10027=1, 3386/11717=1 HB2 LYS 86 - HB3 GLU 97 lone 3 100 - 3 - HB3 LEU 123 - HB3 GLU 97 lone 1 35 - 2 - Peak 11365 from cnoeabs.peaks (2.83, 2.21, 28.66 ppm; 5.33 A): 0 out of 1 assignment used, low quality = 0.36: HB3 ASN 85 - HB3 GLU 97 OK 36 87 - 41 - 1.8/11366=33, 3.5/9797=11 Peak 11366 from cnoeabs.peaks (2.70, 2.21, 28.66 ppm; 6.03 A): 0 out of 1 assignment used, low quality = 0.45: HB2 ASN 85 - HB3 GLU 97 OK 45 81 - 55 - 1.8/11365=47, 3.5/9797=13 Peak 11368 from cnoeabs.peaks (1.22, 4.11, 57.89 ppm; 4.09 A): 0 out of 1 assignment used, low quality = 0.17: HG12 ILE 80 - HA LEU 98 OK 17 96 - 18 - 9204/3.7=8, ~11169=3...(5) Peak 11370 from cnoeabs.peaks (1.22, 1.71, 26.74 ppm; 4.17 A): 0 out of 2 assignments used, low quality = 0.43: QG2 THR 65 - HG LEU 48 OK 36 53 - 68 - 10957/2.1=48...(7) QG2 THR 65 - HG LEU 98 OK 11 92 - 12 - 10957/1524=5...(4) Peak 11371 from cnoeabs.peaks (4.02, 1.71, 26.74 ppm; 3.99 A): 5 out of 14 assignments used, quality = 0.86: HA LYS 95 + HG LEU 98 OK 64 98 - 65 - 11343/2.1=21...(13) HA ARG 135 + HG LEU 98 OK 30 92 - 33 - 4308=6, 3167/3.0=5...(12) HA LEU 103 + HG LEU 98 OK 22 87 - 26 - 3167/3.0=6, 3158/3.0=6...(10) HA ARG 135 + HG LEU 48 OK 18 53 - 33 - 4308=5, 3.0/4316=5...(12) HB3 SER 124 + HG LEU 48 OK 11 45 - 25 - 10958/3.0=10...(4) HA ILE 37 - HG LEU 98 lone 9 99 - 9 - 3167/3.0=2, 3158/3.0=2 HA LYS 95 - HG LEU 48 poor 9 60 - 15 - 2963/3.0=3, 2961/3176=3...(6) HB2 SER 38 - HG LEU 98 lone 7 73 - 9 - 3167/3.0=2, 3158/3.0=2 HB3 SER 124 - HG LEU 98 lone 4 81 - 5 - 10958/1508=1 HA LEU 119 - HG LEU 98 lone 3 98 - 3 - HA LEU 103 - HG LEU 48 lone 3 49 - 6 - ~9205=1 HA LEU 119 - HG LEU 48 lone 2 60 - 3 - 10958/3.0=1 HA ILE 37 - HG LEU 48 lone 2 62 - 3 - HB2 SER 38 - HG LEU 48 lone 2 40 - 4 - Peak 11372 from cnoeabs.peaks (4.01, 0.86, 23.66 ppm; 3.57 A): 4 out of 7 assignments used, quality = 0.65: HA LYS 95 + QD1 LEU 98 OK 31 65 - 47 - 11373/2.1=11, 11343=10...(14) HB3 SER 99 + QD1 LEU 98 OK 29 92 - 31 - 3.7/3191=10, 1.8/11380=9...(5) HA ARG 135 + QD1 LEU 98 OK 16 81 - 19 - 11373/2.1=6, 4308/2.1=4...(9) HA LEU 103 + QD1 LEU 98 OK 15 87 - 18 - 11373/2.1=5, 3.0/3187=2...(6) HB2 SER 38 - QD1 LEU 98 lone 5 96 - 5 - 11373/2.1=2 HA ILE 37 - QD1 LEU 98 lone 3 57 - 6 - 11373/2.1=2 HA SER 60 - QD1 LEU 98 lone 1 100 - 1 - Peak 11373 from cnoeabs.peaks (4.01, 0.88, 24.02 ppm; 3.61 A): 4 out of 7 assignments used, quality = 0.74: HA LYS 95 + QD2 LEU 98 OK 44 87 - 51 - 11343/2.1=14...(11) HB3 SER 99 + QD2 LEU 98 OK 24 73 - 33 - 3.7/7381=13, 11372/2.1=9...(5) HA ARG 135 + QD2 LEU 98 OK 22 96 - 23 - 11372/2.1=5, 4308/2.1=5...(9) HA LEU 103 + QD2 LEU 98 OK 21 98 - 22 - 11372/2.1=5, 3167/3.1=4...(7) HB2 SER 38 - QD2 LEU 98 lone 7 100 - 7 - 11372/2.1=2, 3167/3.1=1 HA ILE 37 - QD2 LEU 98 lone 6 81 - 7 - 3167/3.1=1, 3158/3.1=1 HA SER 60 - QD2 LEU 98 lone 1 96 - 1 - Peak 11374 from cnoeabs.peaks (1.61, 3.76, 63.21 ppm; 4.95 A): 5 out of 6 assignments used, quality = 0.91: HB2 LEU 122 + HB2 SER 99 OK 54 96 - 57 - 3.1/11379=22, ~11378=16...(6) HG LEU 122 + HB2 SER 99 OK 44 73 - 60 - 2.1/11379=26, ~11378=19...(5) HG LEU 70 + HB2 SER 99 OK 31 100 - 31 - 2.1/11380=12, ~11104=8...(6) HG LEU 22 + HB2 SER 99 OK 28 96 - 29 - ~11377=17, ~11376=9, 11376/1.8=6 HB3 LEU 22 + HB2 SER 99 OK 26 96 - 27 - ~11377=13, ~11376=9, 11376/1.8=6 HG LEU 119 - HB2 SER 99 lone 4 65 - 6 - ~11381=4, 11376/1.8=2 Peak 11375 from cnoeabs.peaks (1.78, 4.00, 63.21 ppm; 5.42 A): 3 out of 3 assignments used, quality = 0.86: HG LEU 100 + HB3 SER 99 OK 58 99 - 58 - 5.1/7395=25...(9) HB3 LEU 98 + HB3 SER 99 OK 55 87 - 64 - 4.6/7384=30...(6) HB2 LEU 48 + HB3 SER 99 OK 28 99 - 28 - 10022/1.8=8, 7378/3.7=7...(5) Peak 11376 from cnoeabs.peaks (1.62, 4.00, 63.21 ppm; 5.17 A): 2 out of 4 assignments used, quality = 0.48: HG LEU 22 + HB3 SER 99 OK 28 92 - 31 - 2.1/11377=23, ~11374=4...(4) HB3 LEU 22 + HB3 SER 99 OK 28 92 - 30 - 3.1/11377=20...(4) HG3 ARG 23 - HB3 SER 99 poor 10 96 - 10 - 5.0/11783=5, ~10023=4 HG LEU 119 - HB3 SER 99 lone 8 100 - 8 - ~11381=4, 412/11377=1 Peak 11377 from cnoeabs.peaks (0.90, 4.00, 63.21 ppm; 4.40 A): 0 out of 5 assignments used, low quality = 0.30: QD1 LEU 22 - HB3 SER 99 OK 21 92 - 23 - 2.1/11376=11...(4) QG1 VAL 118 - HB3 SER 99 OK 11 100 - 11 - 11537/3064=6, 11549/11378=2 QD2 LEU 48 - HB3 SER 99 lone 6 65 - 10 - 3.1/11375=4, ~10022=3 QG2 VAL 20 - HB3 SER 99 lone 2 73 - 2 - QG1 VAL 20 - HB3 SER 99 lone 1 73 - 1 - Peak 11378 from cnoeabs.peaks (0.79, 4.00, 63.21 ppm; 3.81 A): 2 out of 6 assignments used, quality = 0.54: QD2 LEU 122 + HB3 SER 99 OK 44 100 - 44 - 11379/1.8=19...(5) QG1 VAL 63 + HB3 SER 99 OK 17 98 - 18 - 2.1/2020=6, 11379/1.8=5...(4) QD1 LEU 53 - HB3 SER 99 poor 10 73 - 13 - 11379/1.8=5, 11724=3 QD1 LEU 103 - HB3 SER 99 lone 8 96 - 8 - 11379/1.8=2...(3) QD1 ILE 37 - HB3 SER 99 lone 2 81 - 3 - QD1 ILE 32 - HB3 SER 99 lone 2 65 - 3 - Peak 11379 from cnoeabs.peaks (0.79, 3.76, 63.21 ppm; 3.84 A): 3 out of 5 assignments used, quality = 0.56: QD2 LEU 122 + HB2 SER 99 OK 44 99 - 44 - 11378/1.8=19, ~11702=12...(6) QG1 VAL 63 + HB2 SER 99 OK 12 87 - 13 - 11378/1.8=8, ~2020=4 QD1 LEU 53 + HB2 SER 99 OK 11 92 - 12 - 11724/1.8=6, 11382/3.7=3 QD2 LEU 49 - HB2 SER 99 poor 9 73 - 13 - 11700/4.5=7, 11382/3.7=6 QD1 LEU 103 - HB2 SER 99 lone 5 81 - 6 - 11378/1.8=3 Peak 11380 from cnoeabs.peaks (0.86, 3.76, 63.21 ppm; 4.98 A): 2 out of 5 assignments used, quality = 0.70: QD1 LEU 98 + HB2 SER 99 OK 55 100 - 55 - 3191/3.7=19...(6) QD2 LEU 70 + HB2 SER 99 OK 34 87 - 40 - 11104/3.0=9, 7380/3.7=9...(10) QG2 VAL 57 - HB2 SER 99 lone 7 100 - 7 - 7380/3.7=4 QD2 LEU 69 - HB2 SER 99 lone 6 81 - 7 - 7380/3.7=3, 4.9/3209=2 QG2 ILE 32 - HB2 SER 99 lone 5 73 - 6 - 7380/3.7=3 Peak 11381 from cnoeabs.peaks (0.80, 4.22, 62.42 ppm; 4.92 A): 3 out of 4 assignments used, quality = 0.76: QD1 LEU 122 + HA SER 99 OK 57 98 - 58 - 11702/3.0=20, ~11379=15...(7) QD2 LEU 49 + HA SER 99 OK 33 81 - 42 - 10026/3.6=18...(5) QD2 LEU 119 + HA SER 99 OK 18 98 - 18 - 11382/2.9=5, 10026/3.6=5...(4) QG2 ILE 80 - HA SER 99 lone 1 57 - 2 - Peak 11384 from cnoeabs.peaks (0.80, 3.96, 57.71 ppm; 3.79 A): 0 out of 3 assignments used, low quality = 0.34: QD2 LEU 49 - HA LEU 100 OK 34 100 - 34 - 11700/2.9=16...(4) QD2 LEU 119 - HA LEU 100 lone 8 96 - 8 - 10026/2.9=3, 11381/4.9=1 QD1 LEU 53 - HA LEU 100 lone 4 98 - 5 - 10026/2.9=2, 11401/4.9=1 Peak 11385 from cnoeabs.peaks (0.83, 1.82, 41.28 ppm; 3.91 A): 0 out of 4 assignments used, low quality = 0.22: QG1 VAL 133 - HB2 LEU 100 OK 22 99 - 22 - 10000/3115=5, 3.2/3231=5...(7) QD2 LEU 22 - HB2 LEU 100 lone 2 81 - 2 - QG1 VAL 133 - HB3 LEU 123 lone 1 59 - 2 - QD2 LEU 22 - HB3 LEU 123 lone 0 42 - 1 - Peak 11386 from cnoeabs.peaks (0.78, 1.78, 26.11 ppm; 3.80 A): 5 out of 5 assignments used, quality = 0.84: QG1 VAL 63 + HG LEU 100 OK 49 100 - 49 - 11387/2.1=17, ~10034=13...(6) QD2 LEU 122 + HG LEU 100 OK 31 92 - 34 - 11387/2.1=11, ~11792=10...(6) QD1 ILE 37 + HG LEU 100 OK 29 98 - 30 - ~9002=14, 11387/2.1=9 QD1 ILE 32 + HG LEU 100 OK 23 92 - 25 - 11387/2.1=7, 11388/2.1=6...(6) QD1 LEU 103 + HG LEU 100 OK 15 100 - 15 - 11387/2.1=4, 11388/2.1=4...(5) Peak 11387 from cnoeabs.peaks (0.78, 0.68, 23.54 ppm; 2.50 A): 3 out of 5 assignments used, quality = 0.45: QG1 VAL 63 + QD2 LEU 100 OK 25 100 - 25 - 11388/2.1=6, 3.2/9397=5...(6) QD2 LEU 122 + QD2 LEU 100 OK 16 92 - 17 - 2.1/11926=7, ~11792=4...(4) QD1 ILE 37 + QD2 LEU 100 OK 13 98 - 14 - ~9002=5, 11388/2.1=4...(4) QD1 ILE 32 - QD2 LEU 100 poor 10 92 - 10 - 11388/2.1=3, 11386/2.1=2 QD1 LEU 103 - QD2 LEU 100 lone 5 100 - 5 - 11388/2.1=2, 11386/2.1=1 Peak 11388 from cnoeabs.peaks (0.78, 0.60, 25.62 ppm; 2.92 A): 6 out of 6 assignments used, quality = 0.73: QG1 VAL 63 + QD1 LEU 100 OK 34 96 - 36 - 11387/2.1=12...(6) QD1 ILE 37 + QD1 LEU 100 OK 22 100 - 22 - 3.0/9002=12, 11387/2.1=7 QD2 LEU 122 + QD1 LEU 100 OK 19 73 - 26 - 2.1/11792=8, 11387/2.1=8...(5) QD1 ILE 32 + QD1 LEU 100 OK 17 99 - 17 - 11387/2.1=5, 11386/2.1=3...(5) QD1 LEU 96 + QD1 LEU 100 OK 12 81 - 15 - 4.6/10043=3, 3.2/3268=3...(5) QD1 LEU 103 + QD1 LEU 100 OK 10 98 - 10 - 11387/2.1=3...(5) Peak 11389 from cnoeabs.peaks (1.66, 0.60, 25.62 ppm; 4.15 A): 6 out of 15 assignments used, quality = 0.67: HB2 LEU 98 + QD1 LEU 100 OK 27 87 - 31 - 10020/4.9=8, 1.8/3269=7...(10) HB2 LEU 123 + QD1 LEU 100 OK 20 73 - 27 - ~10348=6, 1.8/3238=6...(9) HD3 LYS 26 + QD1 LEU 100 OK 16 100 - 16 - 2.9/3268=4, 3.5/3267=3...(5) HD2 LYS 26 + QD1 LEU 100 OK 16 99 - 16 - 2.9/3268=4, 3.5/3267=3...(5) HD3 LYS 24 + QD1 LEU 100 OK 11 99 - 11 - 3.0/3268=2, 3.5/3267=2...(4) HD2 LYS 24 + QD1 LEU 100 OK 11 98 - 11 - 3.0/3268=2, 3.5/3267=2...(4) HD3 LYS 95 - QD1 LEU 100 lone 8 100 - 8 - 3031/10043=1, 2.9/3268=1 HD2 LYS 95 - QD1 LEU 100 lone 7 96 - 7 - 3020/10043=1, 2.9/3268=1 HD3 LYS 31 - QD1 LEU 100 lone 2 99 - 2 - HD2 LYS 31 - QD1 LEU 100 lone 2 98 - 2 - QB ALA 88 - QD1 LEU 100 lone 2 98 - 2 - HD2 LYS 86 - QD1 LEU 100 lone 1 100 - 1 - HD3 LYS 86 - QD1 LEU 100 lone 1 100 - 1 - HD2 LYS 19 - QD1 LEU 100 lone 1 65 - 1 - HD3 LYS 19 - QD1 LEU 100 lone 1 65 - 1 - Peak 11390 from cnoeabs.peaks (3.76, 1.78, 26.11 ppm; 6.80 A): 3 out of 3 assignments used, quality = 0.99: HA GLU 97 + HG LEU 100 OK 93 100 - 93 - 10001/2.1=50...(13) HB2 SER 99 + HG LEU 100 OK 72 96 - 75 - 4.5/3249=31...(11) HA VAL 133 + HG LEU 100 OK 52 96 - 55 - ~11385=33, 3231/3.0=11...(7) Peak 11392 from cnoeabs.peaks (8.48, 2.56, 33.80 ppm; 5.54 A): 1 out of 3 assignments used, quality = 0.62: H LEU 100 + HG3 GLN 101 OK 62 65 - 95 - 3.1/7420=48, ~3305=34...(12) H SER 9 - HG3 GLN 101 lone 5 57 - 9 - 7409/4.7=5, 7444/7451=2 H VAL 132 - HG3 GLN 101 lone 2 87 - 2 - Peak 11394 from cnoeabs.peaks (3.98, 2.56, 33.80 ppm; 5.32 A): 0 out of 7 assignments used, low quality = 0.37: HA THR 65 - HG3 GLN 101 OK 37 87 - 42 - 11023/2.9=29, ~10050=17 HB3 SER 51 - HG3 GLN 101 lone 3 92 - 3 - 1621/3.8=1 HB3 SER 94 - HG3 GLN 101 lone 2 96 - 2 - HA GLU 91 - HG3 GLN 101 lone 2 96 - 2 - HB3 SER 106 - HG3 GLN 101 lone 2 99 - 2 - HA GLN 127 - HG3 GLN 101 lone 1 81 - 1 - HB2 SER 106 - HG3 GLN 101 lone 1 57 - 1 - Peak 11396 from cnoeabs.peaks (4.00, 2.21, 27.91 ppm; 3.63 A): 0 out of 5 assignments used, low quality = 0.00: HA SER 50 - HB2 GLN 101 lone 6 100 - 6 - 4.8/3285=2, 11019/11011=1 HA GLN 68 - HB2 GLN 101 lone 5 99 - 5 - 2129/11118=2, 2127/9491=1 HB2 SER 124 - HB2 GLN 101 lone 3 100 - 3 - 10349/11402=1 HA VAL 20 - HB2 GLN 101 lone 2 92 - 3 - 11019/11011=1 HB3 SER 99 - HB2 GLN 101 lone 1 57 - 1 - Peak 11399 from cnoeabs.peaks (1.81, 4.10, 58.80 ppm; 4.04 A): 0 out of 6 assignments used, low quality = 0.18: HB3 LEU 123 - HA GLN 101 OK 18 54 - 33 - 3.2/11400=16, ~11397=7...(6) HB3 LYS 31 - HA GLN 101 lone 4 96 - 4 - 3.0/10048=1, 4.6/6351=1 HB2 LYS 36 - HA GLN 101 lone 3 65 - 5 - 3.0/10048=2, ~7412=1 HB3 LYS 24 - HA GLN 101 lone 3 87 - 3 - 2.9/10048=1 HB3 LYS 19 - HA GLN 101 lone 2 96 - 2 - HB2 ARG 84 - HA GLN 101 lone 1 100 - 1 - Peak 11400 from cnoeabs.peaks (0.89, 4.10, 58.80 ppm; 4.15 A): 2 out of 4 assignments used, quality = 0.79: QD2 LEU 123 + HA GLN 101 OK 63 100 - 63 - 3.2/11399=18...(9) QD2 LEU 98 + HA GLN 101 OK 43 65 - 65 - 10056/3.8=13...(14) QG2 VAL 20 - HA GLN 101 lone 5 87 - 6 - ~11396=2, 10067/3.5=2 QD1 LEU 22 - HA GLN 101 lone 1 65 - 2 - Peak 11401 from cnoeabs.peaks (0.79, 4.10, 58.80 ppm; 3.95 A): 3 out of 5 assignments used, quality = 0.47: QD2 LEU 49 + HA GLN 101 OK 29 92 - 31 - 11384/4.9=11, 1573=6...(9) QD2 LEU 122 + HA GLN 101 OK 15 92 - 17 - 10068/3.5=5, 3901/4.8=4...(4) QG1 VAL 63 + HA GLN 101 OK 12 65 - 19 - 11011/3.0=8, 11398/2.9=4...(5) QD1 LEU 53 - HA GLN 101 lone 6 99 - 6 - 11384/4.9=1 QD2 LEU 119 - HA GLN 101 lone 5 65 - 8 - 11422/11400=3, 11384/4.9=3 Peak 11402 from cnoeabs.peaks (0.88, 2.21, 27.91 ppm; 4.39 A): 2 out of 2 assignments used, quality = 0.92: QD2 LEU 98 + HB2 GLN 101 OK 79 98 - 80 - 4.0/3156=22...(16) QD2 LEU 123 + HB2 GLN 101 OK 60 92 - 66 - 11575/4.5=18...(11) Peak 11403 from cnoeabs.peaks (0.98, 2.21, 27.91 ppm; 5.13 A): 0 out of 1 assignment used, low quality = 0.42: QG1 VAL 112 - HB2 GLN 101 OK 42 65 - 64 - 11408/2.9=35...(3) Peak 11404 from cnoeabs.peaks (0.99, 2.30, 27.91 ppm; 6.19 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11405 from cnoeabs.peaks (1.43, 2.42, 33.80 ppm; 4.84 A): 0 out of 4 assignments used, low quality = 0.26: HG2 LYS 26 - HG2 GLN 101 OK 15 98 - 15 - ~10053=4, 10756/10056=3...(5) HG2 LYS 86 - HG2 GLN 101 OK 14 65 - 21 - 3.0/11407=11...(5) QB ALA 92 - HG2 GLN 101 lone 7 100 - 7 - 10444/4093=1, 10446/4108=1 HG13 ILE 32 - HG2 GLN 101 lone 3 65 - 5 - 920/3.8=1, 4.1/3306=1 Peak 11406 from cnoeabs.peaks (1.65, 2.42, 33.80 ppm; 4.59 A): 3 out of 16 assignments used, quality = 0.94: HB2 LEU 98 + HG2 GLN 101 OK 86 100 - 86 - 3.1/10056=20, ~10055=20...(17) HB2 LEU 123 + HG2 GLN 101 OK 42 98 - 42 - 3.2/10056=17...(7) QB ALA 88 + HG2 GLN 101 OK 29 73 - 40 - 11293/3.8=10, 3.0/3313=9...(7) HD2 LYS 86 - HG2 GLN 101 OK 20 87 - 23 - 3.0/11405=11...(4) HD3 LYS 86 - HG2 GLN 101 OK 20 87 - 23 - 3.0/11405=11...(4) HD3 LYS 26 - HG2 GLN 101 OK 17 92 - 19 - 2.9/11405=12, ~10053=3...(4) HD2 LYS 26 - HG2 GLN 101 OK 15 81 - 18 - 2.9/11405=12, ~10053=3...(4) HD2 LYS 95 - HG2 GLN 101 lone 4 100 - 4 - HD3 LYS 95 - HG2 GLN 101 lone 3 87 - 4 - HD3 LYS 24 - HG2 GLN 101 lone 3 81 - 4 - HG LEU 62 - HG2 GLN 101 lone 3 92 - 3 - 3946/10056=1 HD2 LYS 24 - HG2 GLN 101 lone 3 73 - 3 - HD3 LYS 19 - HG2 GLN 101 lone 2 96 - 2 - HD2 LYS 19 - HG2 GLN 101 lone 2 96 - 2 - HD3 LYS 31 - HG2 GLN 101 lone 2 81 - 3 - HD2 LYS 31 - HG2 GLN 101 lone 2 73 - 3 - Peak 11407 from cnoeabs.peaks (1.80, 2.42, 33.80 ppm; 4.63 A): 0 out of 4 assignments used, low quality = 0.37: HB3 LEU 123 - HG2 GLN 101 OK 17 40 - 42 - 3.2/10056=18...(6) HB2 LYS 86 - HG2 GLN 101 OK 16 96 - 17 - 3.0/11405=11...(3) HB3 LEU 122 - HG2 GLN 101 OK 10 92 - 11 - ~11409=6, 11410/3313=4 HB3 LEU 103 - HG2 GLN 101 lone 8 87 - 9 - 11410/3313=5, 11364/3131=3 Peak 11408 from cnoeabs.peaks (0.97, 2.42, 33.80 ppm; 4.05 A): 0 out of 2 assignments used, low quality = 0.43: QG1 VAL 112 - HG2 GLN 101 OK 43 87 - 50 - 10060/3.5=21...(3) QD2 LEU 53 - HG2 GLN 101 lone 7 81 - 8 - 10060/3.5=4, 10058/3.5=4 Peak 11409 from cnoeabs.peaks (0.81, 2.56, 33.80 ppm; 5.61 A): 0 out of 3 assignments used, low quality = 0.32: QD1 LEU 70 - HG3 GLN 101 OK 14 73 - 19 - ~9486=7, ~11112=6...(4) QD1 LEU 122 - HG3 GLN 101 OK 11 96 - 12 - ~11407=6, 3.1/10051=3 QG2 ILE 80 - HG3 GLN 101 OK 11 98 - 11 - ~9722=9 Peak 11411 from cnoeabs.peaks (4.21, 2.52, 34.65 ppm; 5.64 A): 0 out of 3 assignments used, low quality = 0.32: HA ALA 88 - HG3 GLU 102 OK 32 98 - 33 - 2.9/3355=11, ~3348=8...(5) HA SER 51 - HG3 GLU 102 lone 3 57 - 5 - 7443/5.0=1 HB THR 25 - HG3 GLU 102 lone 2 92 - 2 - Peak 11412 from cnoeabs.peaks (1.00, 2.52, 34.65 ppm; 4.27 A): 0 out of 1 assignment used, low quality = 0.36: QG2 VAL 105 - HG3 GLU 102 OK 36 81 - 45 - 11413/1.8=29...(4) Peak 11413 from cnoeabs.peaks (1.00, 2.36, 34.65 ppm; 3.97 A): 2 out of 3 assignments used, quality = 0.56: QG2 VAL 105 + HG2 GLU 102 OK 47 96 - 49 - 11412/1.8=32...(4) QG2 VAL 118 + HG2 GLU 102 OK 17 57 - 30 - ~10269=14, 10065/5.0=7...(6) QD1 LEU 69 - HG2 GLU 102 lone 2 65 - 3 - Peak 11414 from cnoeabs.peaks (0.99, 2.23, 28.58 ppm; 4.34 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11415 from cnoeabs.peaks (8.08, 0.74, 25.24 ppm; 4.67 A): 1 out of 5 assignments used, quality = 0.99: * H LEU 103 + QD2 LEU 103 OK 99 100 - 99 - 5.0=80, 3.0/3368=36...(20) H ALA 108 - QD2 LEU 103 OK 41 100 - 41 - 11486/2.1=14, 3388/2.1=8...(7) HD22 ASN 85 - QD2 LEU 103 OK 27 100 - 27 - 9807/3.1=6, 3388/2.1=5...(7) H ASN 120 - QD2 LEU 103 OK 23 92 - 25 - 3396/2.1=7, 3388/2.1=4...(7) H ALA 109 - QD2 LEU 103 OK 14 100 - 14 - 3396/2.1=3, 3388/2.1=3...(5) Peak 11416 from cnoeabs.peaks (7.90, 0.74, 25.24 ppm; 4.80 A): 2 out of 4 assignments used, quality = 0.98: * H GLN 104 + QD2 LEU 103 OK 95 100 - 95 - 7491=43, 3.6/3368=33...(14) H SER 106 + QD2 LEU 103 OK 61 99 - 62 - 3403/2.1=15...(11) H ALA 41 - QD2 LEU 103 OK 27 92 - 29 - 3403/2.1=5, 3395/2.1=5...(8) H THR 115 - QD2 LEU 103 poor 8 73 - 11 - 4.0/11721=2, 3403/2.1=2...(4) Peak 11419 from cnoeabs.peaks (0.99, 4.02, 57.03 ppm; 4.21 A): 0 out of 1 assignment used, low quality = 0.28: QG2 VAL 105 - HA LEU 103 OK 28 57 - 50 - 10070/3.6=27...(4) Peak 11420 from cnoeabs.peaks (2.19, 1.79, 41.89 ppm; 4.52 A): 3 out of 6 assignments used, quality = 0.69: HB2 GLN 104 + HB3 LEU 103 OK 50 87 - 58 - 3.0/11431=24...(7) HB2 GLN 104 + HB3 LEU 122 OK 29 74 - 40 - 3.0/11431=13, ~11433=11...(7) HB VAL 133 + HB3 LEU 103 OK 11 92 - 12 - 7493/4.6=5, 3414/11431=2...(4) HB VAL 133 - HB3 LEU 122 lone 4 79 - 5 - 3414/11431=1, 7493/7488=1 HB2 GLN 82 - HB3 LEU 103 lone 2 81 - 3 - HB2 GLN 82 - HB3 LEU 122 lone 2 68 - 3 - 11214/11407=1 Peak 11421 from cnoeabs.peaks (1.38, 0.88, 25.36 ppm; 4.08 A): 5 out of 11 assignments used, quality = 0.88: HG2 LYS 36 + QD2 LEU 123 OK 56 92 - 61 - 10900=31, 1.8/10901=10...(13) HG3 LYS 26 + QD2 LEU 123 OK 40 87 - 46 - 1.8/10756=23...(8) HB3 LEU 100 + QD2 LEU 123 OK 31 96 - 33 - 3.2/10348=10...(10) QB ALA 29 + QD2 LEU 123 OK 23 92 - 25 - 3.7/3944=10, 10790/3.2=4...(6) HG2 LYS 24 + QD2 LEU 123 OK 11 96 - 12 - 2.9/10748=3, 10703=2 QB ALA 28 - QD2 LEU 123 lone 6 73 - 8 - ~10769=2, 752/4.8=1, 752/3944=1 QB ALA 110 - QD2 LEU 123 lone 4 81 - 4 - ~11478=1 HB2 LEU 96 - QD2 LEU 123 lone 3 92 - 3 - HB2 LEU 42 - QD2 LEU 123 lone 2 98 - 2 - QB ALA 108 - QD2 LEU 123 lone 2 65 - 3 - QB ALA 15 - QD2 LEU 123 lone 2 81 - 2 - Peak 11422 from cnoeabs.peaks (0.79, 0.88, 25.36 ppm; 2.72 A): 0 out of 4 assignments used, low quality = 0.37: QD2 LEU 49 - QD2 LEU 123 OK 23 99 - 23 - 2.1/3948=5, 1576/2.1=5...(10) QD2 LEU 119 - QD2 LEU 123 OK 18 87 - 21 - 3.1/3947=5, 3792/3.2=4...(9) QD2 LEU 122 - QD2 LEU 123 lone 4 73 - 6 - 3907/4.8=3 QD1 LEU 53 - QD2 LEU 123 lone 3 100 - 3 - Peak 11423 from cnoeabs.peaks (3.86, 1.56, 26.63 ppm; 4.54 A): 0 out of 3 assignments used, low quality = 0.29: HD2 PRO 117 - HG LEU 103 OK 29 100 - 29 - ~11922=10, ~11923=8...(6) HD2 PRO 81 - HG LEU 103 lone 1 73 - 1 - HB3 SER 33 - HG LEU 103 lone 1 73 - 1 - Peak 11424 from cnoeabs.peaks (6.59, 0.78, 24.12 ppm; 4.34 A): 1 out of 1 assignment used, quality = 0.67: HD21 ASN 59 + QD1 LEU 103 OK 67 87 - 77 - 1.7/11427=28...(8) Peak 11425 from cnoeabs.peaks (7.00, 0.78, 24.12 ppm; 5.71 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11426 from cnoeabs.peaks (7.55, 0.78, 24.12 ppm; 5.59 A): 3 out of 5 assignments used, quality = 0.71: H LEU 119 + QD1 LEU 103 OK 52 73 - 71 - 4.6/11548=23...(14) H VAL 77 + QD1 LEU 103 OK 30 73 - 41 - 3.6/11710=30, 3.1/9610=9 H THR 54 + QD1 LEU 103 OK 13 100 - 13 - 4.0/9278=7, 9583/11427=2 H GLN 82 - QD1 LEU 103 lone 5 92 - 6 - 11259/10069=1...(3) HE22 GLN 61 - QD1 LEU 103 lone 3 65 - 4 - 9583/11427=2 Peak 11427 from cnoeabs.peaks (7.79, 0.78, 24.12 ppm; 4.35 A): 2 out of 2 assignments used, quality = 0.86: HD22 ASN 59 + QD1 LEU 103 OK 80 96 - 84 - 1.7/11424=39, 9348=26...(7) H GLY 75 + QD1 LEU 103 OK 31 100 - 31 - 11711/2.1=7, ~10350=6...(8) Peak 11428 from cnoeabs.peaks (6.60, 1.56, 26.63 ppm; 5.33 A): 1 out of 1 assignment used, quality = 0.82: HD21 ASN 59 + HG LEU 103 OK 82 100 - 82 - 11424/2.1=30...(8) Peak 11431 from cnoeabs.peaks (1.80, 4.09, 58.10 ppm; 3.50 A): 2 out of 4 assignments used, quality = 0.73: HB3 LEU 103 + HA GLN 104 OK 59 98 - 60 - 7488/3.0=13, ~7487=11...(15) HB3 LEU 122 + HA GLN 104 OK 33 99 - 33 - 3.1/11433=16, 7488/3.0=8...(7) HB2 LYS 86 - HA GLN 104 lone 5 100 - 5 - 9821/11433=2, 7488/3.0=2 HB3 LEU 123 - HA GLN 104 lone 0 35 - 1 - Peak 11432 from cnoeabs.peaks (0.90, 4.09, 58.10 ppm; 3.27 A): 0 out of 4 assignments used, low quality = 0.14: QG1 VAL 118 - HA GLN 104 OK 14 100 - 14 - ~10278=5, 11546/3.0=4, ~11545=4 QG1 VAL 20 - HA GLN 104 lone 2 65 - 3 - QG2 VAL 20 - HA GLN 104 lone 1 81 - 1 - QD1 LEU 22 - HA GLN 104 lone 0 96 - 0 - Peak 11433 from cnoeabs.peaks (0.80, 4.09, 58.10 ppm; 3.38 A): 0 out of 4 assignments used, low quality = 0.15: QD1 LEU 122 - HA GLN 104 OK 15 73 - 21 - 3.1/11431=8, ~7488=3...(8) QD2 LEU 49 - HA GLN 104 lone 8 99 - 8 - ~7487=2, ~11437=2...(4) QD1 LEU 53 - HA GLN 104 lone 1 92 - 1 - QD2 LEU 119 - HA GLN 104 lone 1 99 - 1 - Peak 11434 from cnoeabs.peaks (0.95, 2.19, 29.39 ppm; 4.56 A): 2 out of 3 assignments used, quality = 0.51: QG1 VAL 105 + HB2 GLN 104 OK 39 73 - 53 - 3.9/3430=28, ~11439=22...(4) QG1 VAL 126 + HB2 GLN 104 OK 19 92 - 20 - 11620/1.8=16, 7531/4.4=4 QG1 VAL 57 - HB2 GLN 104 lone 4 98 - 4 - 9298/4.5=2 Peak 11435 from cnoeabs.peaks (0.78, 2.19, 29.39 ppm; 4.81 A): 3 out of 5 assignments used, quality = 0.96: QG1 VAL 63 + HB2 GLN 104 OK 80 100 - 80 - 9400/3.0=30...(13) QD1 LEU 103 + HB2 GLN 104 OK 66 100 - 66 - 3403/3.9=17...(11) QD2 LEU 122 + HB2 GLN 104 OK 45 96 - 47 - ~11433=17, 3.1/11420=8...(10) QD1 ILE 32 - HB2 GLN 104 OK 21 87 - 24 - ~10844=7, 11436/1.8=4...(7) QD1 ILE 37 - HB2 GLN 104 OK 18 96 - 18 - 7490/3.9=5, 11436/1.8=3...(5) Peak 11436 from cnoeabs.peaks (0.78, 2.22, 29.39 ppm; 4.52 A): 3 out of 6 assignments used, quality = 0.93: QG1 VAL 63 + HB3 GLN 104 OK 70 98 - 72 - 9400/3.0=26...(8) QD1 LEU 103 + HB3 GLN 104 OK 63 99 - 64 - 3403/3.9=15...(13) QD2 LEU 122 + HB3 GLN 104 OK 34 81 - 42 - ~11433=15, 11435/1.8=7...(8) QD1 ILE 32 - HB3 GLN 104 OK 21 98 - 21 - ~10844=6, 11441/3.0=4...(6) QD1 ILE 37 - HB3 GLN 104 OK 18 100 - 18 - 7490/3.9=5, 11441/3.0=3...(5) QD1 LEU 96 - HB3 GLN 104 lone 3 73 - 5 - ~11445=1 Peak 11437 from cnoeabs.peaks (0.92, 2.22, 29.39 ppm; 4.43 A): 4 out of 6 assignments used, quality = 0.83: QG2 VAL 63 + HB3 GLN 104 OK 58 81 - 71 - ~9400=17, 11440/3.0=15...(10) QD1 LEU 62 + HB3 GLN 104 OK 40 96 - 42 - 11442/3.0=20...(6) QD1 LEU 49 + HB3 GLN 104 OK 28 92 - 30 - ~11433=8, 11442/3.0=7...(7) QD1 LEU 48 + HB3 GLN 104 OK 10 87 - 12 - 11442/3.0=5, 4.0/3431=2...(4) QD2 LEU 48 - HB3 GLN 104 poor 9 65 - 13 - ~11442=3, 11440/3.0=2...(5) QG2 VAL 112 - HB3 GLN 104 lone 2 87 - 2 - Peak 11438 from cnoeabs.peaks (0.99, 2.22, 29.39 ppm; 4.55 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11439 from cnoeabs.peaks (1.00, 2.38, 34.44 ppm; 4.16 A): 1 out of 1 assignment used, quality = 0.46: QG2 VAL 105 + HG2 GLN 104 OK 46 92 - 50 - 10070/5.0=20...(5) Peak 11440 from cnoeabs.peaks (0.91, 2.38, 34.44 ppm; 3.71 A): 3 out of 7 assignments used, quality = 0.83: QG2 VAL 63 + HG2 GLN 104 OK 62 96 - 65 - 2.1/9400=22, ~11443=12...(11) QD1 LEU 62 + HG2 GLN 104 OK 44 100 - 44 - 11442/1.8=15, 2005/3.5=8...(12) QD1 LEU 49 + HG2 GLN 104 OK 21 99 - 21 - 11442/1.8=6, 11437/3.0=4...(7) QD2 LEU 48 - HG2 GLN 104 lone 9 87 - 10 - ~11442=3, 10077/3.5=1...(4) QD1 LEU 48 - HG2 GLN 104 lone 5 65 - 8 - 11442/1.8=4, 11437/3.0=2 QG1 VAL 20 - HG2 GLN 104 lone 3 81 - 3 - 11444/5.0=1 QG2 VAL 112 - HG2 GLN 104 lone 1 65 - 1 - Peak 11441 from cnoeabs.peaks (0.78, 2.38, 34.44 ppm; 3.84 A): 3 out of 5 assignments used, quality = 0.77: QG1 VAL 63 + HG2 GLN 104 OK 60 87 - 69 - 9400=22, 2.1/11440=16...(13) QD1 LEU 103 + HG2 GLN 104 OK 35 92 - 38 - 3403/5.0=7, 11436/3.0=7...(11) QD1 ILE 32 + HG2 GLN 104 OK 14 100 - 13 - 2.1/10844=5, 10078/3.5=2...(4) QD1 ILE 37 - HG2 GLN 104 lone 10 99 - 10 - 7490/5.0=2, 10078/3.5=2...(4) QD1 LEU 96 - HG2 GLN 104 lone 3 92 - 3 - Peak 11442 from cnoeabs.peaks (0.92, 2.47, 34.44 ppm; 3.59 A): 0 out of 5 assignments used, low quality = 0.25: QD1 LEU 62 - HG3 GLN 104 OK 25 81 - 31 - 11440/1.8=8, 11437/3.0=5...(10) QD1 LEU 49 - HG3 GLN 104 poor 9 73 - 13 - 11440/1.8=4, 11437/3.0=4...(5) QD1 LEU 48 - HG3 GLN 104 lone 6 98 - 6 - 11437/3.0=1, ~11440=1 QD1 LEU 123 - HG3 GLN 104 lone 5 81 - 6 - 2.1/11581=4, 11578=1 QG2 VAL 112 - HG3 GLN 104 lone 1 98 - 1 - Peak 11443 from cnoeabs.peaks (0.79, 2.47, 34.44 ppm; 3.79 A): 3 out of 5 assignments used, quality = 0.80: QG1 VAL 63 + HG3 GLN 104 OK 64 96 - 67 - 9400/1.8=23, 9405/3.5=13...(12) QD1 LEU 103 + HG3 GLN 104 OK 34 92 - 37 - 3403/5.0=7, 11435/3.0=5...(10) QD2 LEU 122 + HG3 GLN 104 OK 16 100 - 16 - 11435/3.0=4, 7490/5.0=3...(6) QD1 ILE 37 - HG3 GLN 104 lone 6 73 - 8 - 7490/5.0=2, 10078/3.5=1...(4) QD1 LEU 53 - HG3 GLN 104 lone 1 81 - 1 - Peak 11445 from cnoeabs.peaks (1.38, 2.19, 29.39 ppm; 6.49 A): 0 out of 14 assignments used, low quality = 0.37: HB3 LEU 100 - HB2 GLN 104 OK 21 100 - 21 - 10048/3283=4, ~10025=4...(7) HB2 LEU 42 - HB2 GLN 104 OK 20 99 - 21 - 3.1/9087=12, 10076/4.5=6 HB2 LEU 96 - HB2 GLN 104 lone 9 100 - 9 - 10076/4.5=3 QB ALA 108 - HB2 GLN 104 lone 5 96 - 6 - 10076/4.5=2 HG2 LYS 36 - HB2 GLN 104 lone 5 100 - 5 - 10076/4.5=1 QB ALA 28 - HB2 GLN 104 lone 5 98 - 5 - 10076/4.5=2 QB ALA 110 - HB2 GLN 104 lone 5 99 - 5 - 10076/4.5=2 QB ALA 15 - HB2 GLN 104 lone 5 99 - 5 - 10076/4.5=2 QB ALA 29 - HB2 GLN 104 lone 5 100 - 5 - 10076/4.5=1 HG3 LYS 26 - HB2 GLN 104 lone 4 100 - 4 - 10076/4.5=1 HG2 LYS 24 - HB2 GLN 104 lone 4 100 - 4 - 10076/4.5=1 HG3 LYS 95 - HB2 GLN 104 lone 4 92 - 5 - 10076/4.5=2 HG2 LYS 95 - HB2 GLN 104 lone 4 81 - 5 - 10076/4.5=2 QB ALA 109 - HB2 GLN 104 lone 4 73 - 5 - 10076/4.5=2 Peak 11446 from cnoeabs.peaks (0.65, 2.38, 34.44 ppm; 5.69 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11448 from cnoeabs.peaks (8.23, 0.96, 20.99 ppm; 5.27 A): 0 out of 3 assignments used, low quality = 0.33: H SER 107 - QG1 VAL 105 OK 33 73 - 45 - 4.6/7538=28, 4.1/10110=22 H SER 33 - QG1 VAL 105 lone 4 87 - 5 - 7543/4.4=2, 3504/10110=1 H LYS 31 - QG1 VAL 105 lone 3 81 - 4 - 7543/4.4=2 Peak 11449 from cnoeabs.peaks (8.06, 1.00, 20.13 ppm; 4.75 A): 0 out of 1 assignment used, low quality = 0.11: H VAL 20 - QG2 VAL 105 OK 11 87 - 12 - 11461/11466=9, 11941/3.2=3 Peak 11451 from cnoeabs.peaks (7.37, 1.00, 20.13 ppm; 4.66 A): 0 out of 1 assignment used, low quality = 0.00: HE22 GLN 101 - QG2 VAL 105 lone 1 65 - 1 - Peak 11452 from cnoeabs.peaks (7.29, 1.00, 20.13 ppm; 4.76 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11453 from cnoeabs.peaks (6.78, 1.00, 20.13 ppm; 5.59 A): 0 out of 1 assignment used, low quality = 0.00: HD22 ASN 120 - QG2 VAL 105 lone 1 65 - 2 - Peak 11454 from cnoeabs.peaks (8.09, 4.19, 62.60 ppm; 5.16 A): 3 out of 4 assignments used, quality = 0.75: H LEU 103 + HA VAL 105 OK 62 87 - 71 - ~11419=22, ~7520=18...(8) H ALA 109 + HA VAL 105 OK 19 92 - 21 - 11450/3.6=5, 3.7/10081=4...(6) H ALA 108 + HA VAL 105 OK 18 81 - 23 - 11450/3.6=9, 2.9/10081=5...(5) HD22 ASN 85 - HA VAL 105 lone 8 87 - 10 - 7519/3.0=5, 11450/3.6=2 Peak 11455 from cnoeabs.peaks (1.69, 1.00, 20.13 ppm; 4.28 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11456 from cnoeabs.peaks (2.10, 1.00, 20.13 ppm; 4.10 A): 0 out of 5 assignments used, low quality = 0.14: HB VAL 126 - QG2 VAL 105 OK 14 65 - 22 - 2.1/3481=6, 2.1/3481=6...(7) HB2 GLN 61 - QG2 VAL 105 lone 3 99 - 3 - HB3 GLN 61 - QG2 VAL 105 lone 3 92 - 3 - 10988/2.1=1 HB3 GLN 82 - QG2 VAL 105 lone 1 96 - 1 - HB VAL 57 - QG2 VAL 105 lone 1 87 - 1 - Peak 11457 from cnoeabs.peaks (2.39, 1.00, 20.13 ppm; 3.88 A): 0 out of 2 assignments used, low quality = 0.13: HG3 GLU 40 - QG2 VAL 105 OK 13 100 - 13 - 10085/2.1=9, 1274/4.3=3 HG3 GLU 55 - QG2 VAL 105 lone 6 98 - 6 - 10085/2.1=5 Peak 11458 from cnoeabs.peaks (4.45, 1.00, 20.13 ppm; 4.65 A): 1 out of 3 assignments used, quality = 0.78: HA SER 106 + QG2 VAL 105 OK 78 87 - 90 - 2.9/7539=32...(11) HA PRO 58 - QG2 VAL 105 lone 6 99 - 5 - ~10085=2, 7540/4.3=1 HA ASP 64 - QG2 VAL 105 lone 6 87 - 6 - 7540/4.3=2 Peak 11459 from cnoeabs.peaks (3.96, 1.00, 20.13 ppm; 4.23 A): 3 out of 8 assignments used, quality = 0.79: HB2 SER 106 + QG2 VAL 105 OK 57 92 - 62 - 1.8/10095=32...(4) HB3 SER 107 + QG2 VAL 105 OK 42 100 - 42 - 10105=23, ~10110=15...(7) HA LEU 100 + QG2 VAL 105 OK 18 100 - 18 - 10046/4.3=4...(6) HD3 PRO 117 - QG2 VAL 105 poor 9 65 - 13 - 3.0/11528=6, 10090/2.1=5 HA GLN 127 - QG2 VAL 105 poor 8 73 - 10 - 4.9/3479=4 HA THR 65 - QG2 VAL 105 lone 6 65 - 8 - 7541/4.3=4, 4.9/11458=1 HA3 GLY 17 - QG2 VAL 105 lone 2 100 - 2 - HA2 GLY 17 - QG2 VAL 105 lone 2 100 - 2 - Peak 11460 from cnoeabs.peaks (8.31, 4.46, 58.89 ppm; 3.77 A): 0 out of 5 assignments used, low quality = 0.23: H ALA 21 - HA SER 106 OK 23 100 - 23 - 4.7/11461=14, 4.3/11467=9 H LEU 69 - HA SER 106 lone 5 73 - 7 - 4.0/6875=2, 4.3/11466=1 H ALA 110 - HA SER 106 lone 4 87 - 4 - 3.7/11794=2 H LEU 49 - HA SER 106 lone 3 96 - 3 - 6173/11461=1 H GLY 111 - HA SER 106 lone 1 96 - 1 - Peak 11461 from cnoeabs.peaks (8.06, 4.46, 58.89 ppm; 4.80 A): 0 out of 1 assignment used, low quality = 0.40: H VAL 20 - HA SER 106 OK 40 100 - 40 - 4.7/11460=19...(4) Peak 11462 from cnoeabs.peaks (7.60, 3.97, 63.90 ppm; 5.06 A): 0 out of 2 assignments used, low quality = 0.29: HD21 ASN 120 - HB2 SER 106 OK 16 87 - 19 - 11463/1.8=18 HD21 ASN 13 - HB2 SER 106 OK 14 100 - 14 - 11463/1.8=13 Peak 11463 from cnoeabs.peaks (7.60, 3.98, 63.90 ppm; 4.85 A): 0 out of 2 assignments used, low quality = 0.32: HD21 ASN 120 - HB3 SER 106 OK 20 100 - 20 - 11462/1.8=15, 11905/10091=6 HD21 ASN 13 - HB3 SER 106 OK 15 87 - 17 - 11462/1.8=13, 11905/10091=4 Peak 11465 from cnoeabs.peaks (1.37, 4.46, 58.89 ppm; 4.23 A): 0 out of 7 assignments used, low quality = 0.00: HB3 LEU 100 - HA SER 106 poor 10 65 - 15 - ~10046=3, 3.0/3486=3...(6) HG2 LYS 19 - HA SER 106 lone 6 87 - 7 - 6163/11461=6 HB2 LEU 96 - HA SER 106 lone 1 57 - 2 - ~10096=1 HB2 LEU 42 - HA SER 106 lone 1 73 - 1 - HG2 LYS 24 - HA SER 106 lone 1 65 - 1 - QB ALA 29 - HA SER 106 lone 1 57 - 1 - HG2 LYS 36 - HA SER 106 lone 1 57 - 1 - Peak 11466 from cnoeabs.peaks (1.00, 4.46, 58.89 ppm; 3.94 A): 2 out of 3 assignments used, quality = 0.83: QG2 VAL 105 + HA SER 106 OK 80 99 - 81 - 7539/2.9=25...(11) QG2 VAL 118 + HA SER 106 OK 17 73 - 23 - 2.1/11467=10, 7539/2.9=7 QD1 LEU 69 - HA SER 106 lone 7 81 - 9 - 4.3/11460=3, 7539/2.9=2 Peak 11467 from cnoeabs.peaks (0.90, 4.46, 58.89 ppm; 4.64 A): 2 out of 3 assignments used, quality = 0.55: QG2 VAL 20 + HA SER 106 OK 39 87 - 45 - 4.0/11461=26...(3) QG1 VAL 118 + HA SER 106 OK 27 99 - 27 - 2.1/11466=7, ~10278=7...(4) QD1 LEU 22 - HA SER 106 lone 5 98 - 5 - 6179/11460=2, 6172/11461=1 Peak 11468 from cnoeabs.peaks (0.73, 4.46, 58.89 ppm; 5.80 A): 1 out of 1 assignment used, quality = 0.46: QD2 LEU 103 + HA SER 106 OK 46 73 - 63 - ~10096=14, ~11469=13...(11) Peak 11470 from cnoeabs.peaks (1.14, 3.96, 63.62 ppm; 5.09 A): 0 out of 5 assignments used, low quality = 0.41: QG2 THR 115 - HB3 SER 107 OK 25 100 - 25 - 10181/1.8=11...(3) HB3 LEU 62 - HB3 SER 107 OK 21 65 - 33 - 3.2/11853=16...(4) QG1 VAL 132 - HB3 SER 107 lone 6 92 - 7 - 11483/4.7=4 QG2 VAL 132 - HB3 SER 107 lone 6 98 - 6 - 11483/4.7=3 HG2 LYS 39 - HB3 SER 107 lone 5 100 - 5 - ~10866=2, 11483/4.7=2 Peak 11473 from cnoeabs.peaks (2.06, 3.96, 63.62 ppm; 5.28 A): 5 out of 8 assignments used, quality = 0.73: HB VAL 118 + HB3 SER 107 OK 39 100 - 39 - 2.1/10105=21...(4) HB2 LEU 62 + HB3 SER 107 OK 33 100 - 33 - 3.2/11853=16...(3) HG2 PRO 117 + HB3 SER 107 OK 14 99 - 14 - 2.3/3709=2, 2.3/3701=2...(5) HG3 PRO 117 + HB3 SER 107 OK 13 92 - 14 - 2.3/3709=2, 2.3/3701=2...(5) HB2 GLN 127 + HB3 SER 107 OK 10 100 - 10 - 10436/11853=3, 10436/11853=2 HG3 PRO 81 - HB3 SER 107 lone 4 96 - 4 - HG3 PRO 113 - HB3 SER 107 lone 3 92 - 3 - HB3 GLN 27 - HB3 SER 107 lone 3 92 - 3 - Peak 11475 from cnoeabs.peaks (6.59, 4.39, 58.42 ppm; 5.14 A): 0 out of 1 assignment used, low quality = 0.24: HD21 ASN 59 - HA SER 107 OK 24 81 - 29 - 11482/3.6=29 Peak 11479 from cnoeabs.peaks (8.02, 2.12, 32.23 ppm; 4.26 A): 1 out of 2 assignments used, quality = 0.53: H ALA 16 + HB VAL 112 OK 53 81 - 66 - 10666=28, ~10135=21...(7) H ALA 52 - HB VAL 112 lone 7 92 - 8 - ~6668=3, ~11726=2, 6649/4.8=2 Peak 11480 from cnoeabs.peaks (8.55, 2.12, 32.23 ppm; 6.51 A): 0 out of 1 assignment used, low quality = 0.16: H ARG 90 - HB VAL 112 OK 16 57 - 28 - 11491/2.1=18...(3) Peak 11488 from cnoeabs.peaks (0.79, 1.38, 19.17 ppm; 3.10 A): 0 out of 20 assignments used, low quality = 0.12: QD2 LEU 49 - QB ALA 110 OK 12 92 - 13 - 2.1/10663=4, 1572/2.9=2...(4) QD2 LEU 49 - QB ALA 108 lone 6 98 - 6 - 2.1/10663=2, ~11484=1 QD2 LEU 49 - QB ALA 28 poor 6 59 - 10 - 10776/2.1=8, 2.1/10663=2 QD2 LEU 122 - QB ALA 28 poor 6 44 - 14 - 10776/2.1=7, 10337=4 QD2 LEU 119 - QB ALA 108 lone 5 81 - 6 - ~3804=1 QD2 LEU 122 - QB ALA 108 lone 4 81 - 5 - 10337=2, 11486/2.9=2 QD1 LEU 53 - QB ALA 108 lone 4 100 - 4 - ~11485=2, 11486/2.9=1 QD2 LEU 122 - QB ALA 29 poor 3 27 - 13 - 3907/3.7=4, 10337=4...(4) QD1 LEU 53 - QB ALA 28 lone 3 63 - 4 - 10776/2.1=4 QD2 LEU 119 - QB ALA 110 lone 3 73 - 4 - ~10296=2 QD2 LEU 119 - QB ALA 15 lone 1 64 - 2 - QD2 LEU 49 - QB ALA 15 lone 1 83 - 2 - QD2 LEU 122 - QB ALA 110 lone 1 73 - 1 - QD2 LEU 119 - QB ALA 28 lone 1 44 - 2 - 10776/2.1=2 QD1 LEU 53 - QB ALA 15 lone 1 88 - 1 - QD2 LEU 49 - QB ALA 29 lone 1 37 - 2 - QD1 LEU 53 - QB ALA 110 lone 1 95 - 1 - QD2 LEU 122 - QB ALA 15 lone 1 64 - 1 - QD1 LEU 53 - QB ALA 29 lone 0 40 - 1 - QD2 LEU 119 - QB ALA 29 lone 0 27 - 1 - Peak 11489 from cnoeabs.peaks (8.18, 8.17, 67.59 ppm; diagonal): 0 out of 0 assignments used, low quality = 0.00: Peak 11490 from cnoeabs.peaks (8.03, 8.34, 62.67 ppm; 4.24 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11491 from cnoeabs.peaks (8.56, 0.92, 20.16 ppm; 4.21 A): 0 out of 2 assignments used, low quality = 0.45: H GLY 114 - QG2 VAL 112 OK 31 73 - 42 - 11492/2.1=14...(6) H ARG 90 - QG2 VAL 112 OK 20 87 - 23 - 11480/2.1=12...(3) Peak 11492 from cnoeabs.peaks (8.56, 0.97, 20.69 ppm; 5.08 A): 2 out of 2 assignments used, quality = 0.83: H GLY 114 + QG1 VAL 112 OK 71 98 - 72 - 7596/4.4=28...(8) H ARG 90 + QG1 VAL 112 OK 41 100 - 41 - 11491/2.1=15...(8) Peak 11493 from cnoeabs.peaks (4.29, 0.92, 20.16 ppm; 4.27 A): 0 out of 9 assignments used, low quality = 0.38: HA ALA 15 - QG2 VAL 112 OK 26 87 - 31 - 3.6/10667=12, 11771=10 HA ALA 110 - QG2 VAL 112 OK 16 81 - 20 - 2.1/11496=11, 3.0/11478=8 HA ALA 21 - QG2 VAL 112 lone 5 100 - 5 - 11771=4 HA ALA 12 - QG2 VAL 112 lone 3 87 - 4 - 11771=2, ~6074=1 HA THR 18 - QG2 VAL 112 lone 2 100 - 2 - 3.0/10684=1 HA ARG 23 - QG2 VAL 112 lone 2 92 - 2 - HA SER 74 - QG2 VAL 112 lone 2 100 - 2 - HA THR 25 - QG2 VAL 112 lone 1 100 - 1 - HA GLN 61 - QG2 VAL 112 lone 0 57 - 1 - Peak 11494 from cnoeabs.peaks (1.93, 4.42, 59.99 ppm; 4.28 A): 2 out of 4 assignments used, quality = 0.93: HG2 PRO 113 + HA VAL 112 OK 89 92 - 97 - 2.3/3567=47, 2.3/3568=27...(19) HB2 MET 11 + HA VAL 112 OK 36 96 - 37 - 134=9, 1.8/141=6...(14) HG LEU 53 - HA VAL 112 OK 24 65 - 37 - 2.1/3550=7, 3573/3.8=6...(12) HB3 LEU 123 - HA VAL 112 OK 10 30 - 35 - 3.2/3549=8, 1.8/3918=7...(12) Peak 11495 from cnoeabs.peaks (1.91, 0.97, 20.69 ppm; 3.99 A): 1 out of 6 assignments used, quality = 0.93: HB2 PRO 113 + QG1 VAL 112 OK 93 100 - 94 - 3.0/10125=34...(21) HB2 ARG 90 - QG1 VAL 112 OK 20 99 - 20 - 3.8/11492=7, 3571/4.4=5...(6) HB3 LEU 123 - QG1 VAL 112 OK 16 54 - 30 - 3.2/3564=5, ~3925=4...(12) HB3 LEU 49 - QG1 VAL 112 lone 7 92 - 8 - 3579/4.4=3, 3571/4.4=3 HB3 ARG 84 - QG1 VAL 112 lone 3 81 - 3 - HB2 ARG 135 - QG1 VAL 112 lone 1 65 - 2 - Peak 11496 from cnoeabs.peaks (1.39, 0.92, 20.16 ppm; 3.08 A): 4 out of 15 assignments used, quality = 0.54: QB ALA 108 + QG2 VAL 112 OK 18 98 - 19 - 3.7/10118=7, ~11485=6...(5) QB ALA 110 + QG2 VAL 112 OK 18 92 - 20 - 10136/4.1=5, 2.1/11493=5...(6) QB ALA 109 + QG2 VAL 112 OK 17 100 - 18 - 2.9/10118=8, 3.7/11478=3...(5) QB ALA 15 + QG2 VAL 112 OK 17 92 - 19 - 2.1/11493=8, 3.7/10667=6...(5) HG3 LYS 31 - QG2 VAL 112 lone 1 98 - 1 - HB2 LEU 96 - QG2 VAL 112 lone 1 81 - 2 - HG2 LYS 36 - QG2 VAL 112 lone 1 81 - 1 - QB ALA 28 - QG2 VAL 112 lone 1 96 - 1 - HG3 LYS 95 - QG2 VAL 112 lone 1 99 - 1 - HG2 LYS 95 - QG2 VAL 112 lone 1 100 - 1 - QB ALA 29 - QG2 VAL 112 lone 1 81 - 1 - HG3 LYS 26 - QG2 VAL 112 lone 1 87 - 1 - HG2 LYS 24 - QG2 VAL 112 lone 1 73 - 1 - HB3 LEU 100 - QG2 VAL 112 lone 1 73 - 1 - HB2 LEU 42 - QG2 VAL 112 lone 0 65 - 0 - Peak 11497 from cnoeabs.peaks (1.13, 2.12, 32.23 ppm; 3.76 A): 3 out of 4 assignments used, quality = 0.79: QG2 THR 115 + HB VAL 112 OK 59 100 - 60 - 10194/2.1=32...(6) QG1 VAL 132 + HB VAL 112 OK 30 96 - 31 - 11500/2.1=9, 11499/2.1=8...(6) QG2 VAL 132 + HB VAL 112 OK 28 96 - 29 - 11500/2.1=9, 11499/2.1=8...(6) HG2 LYS 39 - HB VAL 112 lone 7 100 - 6 - 11500/2.1=2, 11499/2.1=2 Peak 11498 from cnoeabs.peaks (1.12, 4.42, 59.99 ppm; 4.73 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11499 from cnoeabs.peaks (1.13, 0.97, 20.69 ppm; 3.08 A): 3 out of 4 assignments used, quality = 0.75: QG2 THR 115 + QG1 VAL 112 OK 61 100 - 61 - 10194=37, 11500/2.1=14...(8) QG2 VAL 132 + QG1 VAL 112 OK 20 96 - 21 - 11500/2.1=7, 11497/2.1=5...(6) QG1 VAL 132 + QG1 VAL 112 OK 19 96 - 20 - 11500/2.1=6, 11497/2.1=6...(5) HG2 LYS 39 - QG1 VAL 112 lone 5 100 - 5 - 11500/2.1=2, 11497/2.1=1 Peak 11500 from cnoeabs.peaks (1.13, 0.92, 20.16 ppm; 3.25 A): 3 out of 4 assignments used, quality = 0.66: QG2 THR 115 + QG2 VAL 112 OK 46 100 - 47 - 10194/2.1=26...(6) QG2 VAL 132 + QG2 VAL 112 OK 21 96 - 22 - 11499/2.1=7, 11497/2.1=6...(6) QG1 VAL 132 + QG2 VAL 112 OK 20 96 - 21 - 11499/2.1=6, 11497/2.1=6...(5) HG2 LYS 39 - QG2 VAL 112 lone 5 100 - 5 - 11499/2.1=2, 11497/2.1=2 Peak 11503 from cnoeabs.peaks (0.98, 3.94, 50.95 ppm; 3.98 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11504 from cnoeabs.peaks (0.98, 3.70, 50.95 ppm; 3.65 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11506 from cnoeabs.peaks (0.93, 4.37, 63.85 ppm; 4.37 A): 4 out of 5 assignments used, quality = 0.82: QG2 VAL 112 + HA PRO 113 OK 56 73 - 77 - 2.1/11507=25...(9) QD1 LEU 123 + HA PRO 113 OK 44 96 - 46 - 10137/3.6=19...(8) QG2 ILE 37 + HA PRO 113 OK 19 96 - 19 - 10137/3.6=7, 10139/3.6=6...(4) QD1 LEU 119 + HA PRO 113 OK 11 57 - 20 - 10137/3.6=6, 10139/3.6=6...(4) QD1 LEU 48 - HA PRO 113 lone 6 73 - 8 - 10160/3.6=4, 10165/11515=2 Peak 11507 from cnoeabs.peaks (0.97, 4.37, 63.85 ppm; 4.37 A): 2 out of 2 assignments used, quality = 0.66: QG1 VAL 112 + HA PRO 113 OK 54 73 - 74 - 4.0/10154=23...(9) QD2 LEU 53 + HA PRO 113 OK 26 65 - 40 - 2.1/3589=13, 9256/2.3=11...(8) Peak 11508 from cnoeabs.peaks (4.43, 2.27, 31.81 ppm; 4.56 A): 3 out of 4 assignments used, quality = 0.87: HA VAL 112 + HB3 PRO 113 OK 76 81 - 95 - 3567/3.0=30, ~10154=19...(21) HA MET 11 + HB3 PRO 113 OK 27 87 - 31 - 128/2.3=6, 3566/3.0=5...(12) HA THR 54 + HB3 PRO 113 OK 24 92 - 26 - 9269/2.3=12, 11509/2.3=4...(5) HA ASN 120 - HB3 PRO 113 lone 10 96 - 10 - ~11562=3, 3566/3.0=2...(5) Peak 11509 from cnoeabs.peaks (4.42, 1.93, 27.46 ppm; 4.52 A): 1 out of 5 assignments used, quality = 0.98: HA VAL 112 + HG2 PRO 113 OK 98 100 - 98 - 3567/2.3=49, 3568/2.3=29...(19) HA MET 11 - HG2 PRO 113 OK 41 100 - 41 - 3566/2.3=8, 3568/2.3=8...(15) HA THR 54 - HG2 PRO 113 OK 34 99 - 35 - 9269/1.8=15, 3566/2.3=7...(5) HA ASN 120 - HG2 PRO 113 OK 10 98 - 10 - 3566/2.3=3, 3568/2.3=3...(4) HA ASP 71 - HG2 PRO 113 lone 4 87 - 4 - Peak 11510 from cnoeabs.peaks (4.42, 2.06, 27.46 ppm; 4.16 A): 2 out of 6 assignments used, quality = 0.95: HA VAL 112 + HG3 PRO 113 OK 93 98 - 95 - 3567/2.3=44, 3568/2.3=26...(17) HA MET 11 + HG3 PRO 113 OK 32 96 - 34 - 3566/2.3=7, 3568/2.3=7...(12) HA THR 54 - HG3 PRO 113 OK 30 92 - 33 - 9269=12, 3566/2.3=6...(7) HA ASN 120 - HG3 PRO 113 lone 8 87 - 9 - 3566/2.3=3, 3568/2.3=2 HA ASP 71 - HG3 PRO 113 lone 3 98 - 3 - HA HIS 5 - HG3 PRO 113 lone 0 73 - 1 - Peak 11511 from cnoeabs.peaks (2.12, 3.70, 50.95 ppm; 3.74 A): 1 out of 2 assignments used, quality = 0.96: HB VAL 112 + HD2 PRO 113 OK 96 99 - 96 - 10130=48, 3.0/3567=35...(16) HG3 GLU 91 - HD2 PRO 113 lone 2 81 - 2 - Peak 11512 from cnoeabs.peaks (2.13, 3.94, 50.95 ppm; 4.00 A): 0 out of 2 assignments used, low quality = 0.28: HB2 GLU 97 - HD3 PRO 113 OK 28 81 - 35 - 2.9/3580=7, 3122/3.0=6...(9) HB2 PRO 56 - HD3 PRO 113 lone 1 92 - 1 - Peak 11515 from cnoeabs.peaks (4.37, 4.12, 45.18 ppm; 4.18 A): 1 out of 3 assignments used, quality = 0.80: HA PRO 113 + HA3 GLY 114 OK 80 98 - 82 - 7591/2.9=37...(7) HA PRO 117 - HA3 GLY 114 poor 9 73 - 13 - 7591/2.9=6, 11516/1.8=5 HA ASP 78 - HA3 GLY 114 lone 1 65 - 2 - Peak 11516 from cnoeabs.peaks (4.37, 3.88, 45.18 ppm; 3.75 A): 1 out of 2 assignments used, quality = 0.66: HA PRO 113 + HA2 GLY 114 OK 66 100 - 66 - 7591/2.9=33...(6) HA PRO 117 - HA2 GLY 114 lone 9 92 - 10 - 7591/2.9=6, 11515/1.8=3 Peak 11520 from cnoeabs.peaks (8.37, 4.40, 61.68 ppm; 4.42 A): 0 out of 3 assignments used, low quality = 0.25: H LYS 26 - HA THR 115 OK 15 98 - 15 - 11521/3.0=9, 2.9/3636=3, ~7606=1 H GLY 14 - HA THR 115 OK 13 100 - 13 - 11521/3.0=8, ~10181=4 H LYS 24 - HA THR 115 lone 7 99 - 7 - 11521/3.0=6 Peak 11521 from cnoeabs.peaks (8.36, 4.27, 69.69 ppm; 5.41 A): 3 out of 3 assignments used, quality = 0.56: H LYS 26 + HB THR 115 OK 29 92 - 32 - 11520/3.0=18...(7) H GLY 14 + HB THR 115 OK 24 100 - 24 - 11520/3.0=15, ~10181=7 H LYS 24 + HB THR 115 OK 18 96 - 18 - 11520/3.0=8, 5.1/10191=5 Peak 11522 from cnoeabs.peaks (4.12, 4.40, 61.68 ppm; 4.96 A): 1 out of 4 assignments used, quality = 1.00: HA3 GLY 114 + HA THR 115 OK 100 100 - 100 - 5.0=98, 7604/3.0=42...(9) HA ILE 80 - HA THR 115 lone 8 100 - 8 - ~10193=3, 3628/5.0=2, 7604/3.0=2 HA CYS 45 - HA THR 115 lone 3 99 - 3 - HA ALA 52 - HA THR 115 lone 2 73 - 3 - Peak 11523 from cnoeabs.peaks (0.96, 4.40, 61.68 ppm; 4.30 A): 4 out of 5 assignments used, quality = 0.68: QG1 VAL 112 + HA THR 115 OK 50 99 - 51 - 10194/3.2=30, ~11500=11...(5) QD2 LEU 53 + HA THR 115 OK 15 100 - 15 - 9254/5.0=13, 10194/3.2=2 QG1 VAL 105 + HA THR 115 OK 13 87 - 15 - 10230/3.6=5, 10194/3.2=3...(5) QG2 VAL 126 + HA THR 115 OK 12 99 - 12 - 10194/3.2=5, ~10185=4 QG1 VAL 126 - HA THR 115 poor 8 65 - 12 - 10230/3.6=4, ~10185=4, ~10194=3 Peak 11525 from cnoeabs.peaks (0.95, 4.97, 51.55 ppm; 4.86 A): 3 out of 3 assignments used, quality = 0.89: QD1 LEU 119 + HA ASN 116 OK 77 87 - 88 - 10295/3.0=25...(13) QG1 VAL 57 + HA ASN 116 OK 44 100 - 44 - 10222/4.6=17...(6) QG1 VAL 126 + HA ASN 116 OK 18 65 - 28 - 10222/4.6=9, 10230/2.9=8...(6) Peak 11526 from cnoeabs.peaks (1.87, 2.85, 38.95 ppm; 6.56 A): 2 out of 2 assignments used, quality = 0.91: HB3 LEU 119 + HB2 ASN 116 OK 90 100 - 90 - ~10295=35, 2.9/10225=31...(8) HB3 LEU 123 + HB2 ASN 116 OK 12 99 - 12 - 11524/4.0=4...(3) Peak 11527 from cnoeabs.peaks (2.04, 2.85, 38.95 ppm; 6.32 A): 2 out of 6 assignments used, quality = 0.94: HG3 PRO 117 + HB2 ASN 116 OK 82 92 - 89 - ~3667=40, ~3668=35...(7) HG2 PRO 117 + HB2 ASN 116 OK 65 73 - 89 - ~3667=40, ~3668=35...(7) HG3 PRO 81 - HB2 ASN 116 OK 22 87 - 25 - 3725/4.8=8, 3675/4.8=8...(5) QE MET 11 - HB2 ASN 116 OK 19 92 - 20 - 10199/4.0=11, 10200/3.0=8 HB3 GLU 55 - HB2 ASN 116 OK 13 96 - 14 - 10200/3.0=6, 10199/4.0=5 HB3 GLU 40 - HB2 ASN 116 lone 4 57 - 7 - 10199/4.0=3, 10200/3.0=2 Peak 11528 from cnoeabs.peaks (1.01, 2.01, 32.10 ppm; 4.41 A): 2 out of 3 assignments used, quality = 0.66: QG2 VAL 118 + HB3 PRO 117 OK 57 100 - 57 - 7642/4.3=24...(15) QG2 VAL 105 + HB3 PRO 117 OK 21 92 - 23 - ~10090=18, 7642/4.3=3 QD1 LEU 69 - HB3 PRO 117 lone 5 100 - 5 - 7642/4.3=4 Peak 11529 from cnoeabs.peaks (1.13, 2.05, 27.30 ppm; 4.88 A): 0 out of 12 assignments used, low quality = 0.22: QG1 VAL 132 - HG3 PRO 117 OK 12 99 - 12 - 4.0/10525=5, 4.2/10582=2...(4) QG1 VAL 132 - HG2 PRO 117 OK 11 85 - 13 - 10534/1.8=4, 4.0/10525=4...(4) QG2 THR 115 - HG3 PRO 117 lone 9 99 - 9 - ~10189=3, 10179/10257=3 QG2 VAL 132 - HG3 PRO 117 poor 9 87 - 10 - 4.0/10525=5, 4.4/10582=2 QG1 VAL 132 - HG3 PRO 81 lone 9 98 - 9 - 4.0/10525=4, 4.2/10582=2 QG2 THR 115 - HG2 PRO 117 lone 8 85 - 9 - 10179/10257=3, ~10189=2 QG2 VAL 132 - HG2 PRO 117 poor 8 70 - 11 - 4.0/10525=4, ~10534=3 QG2 VAL 132 - HG3 PRO 81 lone 7 85 - 8 - 4.0/10525=4, 4.4/10582=2 QG2 THR 115 - HG3 PRO 81 lone 3 98 - 3 - HG2 LYS 39 - HG3 PRO 117 lone 2 99 - 2 - HG2 LYS 39 - HG3 PRO 81 lone 2 98 - 2 - HG2 LYS 39 - HG2 PRO 117 lone 2 85 - 2 - Peak 11530 from cnoeabs.peaks (0.99, 2.05, 27.30 ppm; 4.02 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11531 from cnoeabs.peaks (7.00, 2.06, 31.53 ppm; 6.32 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11532 from cnoeabs.peaks (7.00, 1.01, 22.19 ppm; 5.59 A): 0 out of 1 assignment used, low quality = 0.36: HD21 ASN 116 - QG2 VAL 118 OK 36 57 - 62 - 4.6/10276=31, ~11535=27...(4) Peak 11533 from cnoeabs.peaks (6.89, 1.01, 22.19 ppm; 6.28 A): 0 out of 2 assignments used, low quality = 0.00: HE21 GLN 134 - QG2 VAL 118 lone 3 99 - 3 - HE21 GLN 61 - QG2 VAL 118 lone 1 57 - 3 - Peak 11534 from cnoeabs.peaks (8.28, 1.01, 22.19 ppm; 5.30 A): 2 out of 5 assignments used, quality = 0.50: H LEU 43 + QG2 VAL 118 OK 43 96 - 45 - 4.5/11807=20...(6) H LEU 96 + QG2 VAL 118 OK 13 65 - 20 - ~11537=11, 3.8/10264=5 H GLU 40 - QG2 VAL 118 lone 9 98 - 9 - 1375/11807=3...(3) H SER 99 - QG2 VAL 118 poor 8 73 - 11 - 4.6/11916=5...(3) H VAL 126 - QG2 VAL 118 lone 5 81 - 6 - 1330/9084=2, 1375/11807=1 Peak 11535 from cnoeabs.peaks (7.91, 0.90, 21.66 ppm; 4.26 A): 0 out of 2 assignments used, low quality = 0.37: HD22 ASN 116 - QG1 VAL 118 OK 28 81 - 35 - ~11532=18, 10204/2.1=10...(4) H THR 115 - QG1 VAL 118 OK 13 92 - 14 - ~10272=13 Peak 11537 from cnoeabs.peaks (4.04, 0.90, 21.66 ppm; 3.65 A): 0 out of 5 assignments used, low quality = 0.23: HA LEU 96 - QG1 VAL 118 OK 12 98 - 12 - 3.0/10262=3...(5) HD3 PRO 81 - QG1 VAL 118 OK 12 100 - 12 - 11189/4.1=3, 2.3/3744=3...(5) HA GLU 44 - QG1 VAL 118 lone 6 57 - 10 - 3.7/10268=6, 3.6/9163=2 HB3 SER 124 - QG1 VAL 118 lone 5 65 - 8 - ~10270=3, 3974/10324=2 HA ALA 92 - QG1 VAL 118 lone 1 65 - 2 - Peak 11538 from cnoeabs.peaks (2.98, 0.90, 21.66 ppm; 5.20 A): 1 out of 1 assignment used, quality = 0.85: HB3 ASN 121 + QG1 VAL 118 OK 85 96 - 89 - 3735/3.2=29...(11) Peak 11539 from cnoeabs.peaks (2.79, 0.90, 21.66 ppm; 4.88 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11540 from cnoeabs.peaks (2.96, 1.01, 22.19 ppm; 4.59 A): 0 out of 11 assignments used, low quality = 0.20: HE2 LYS 26 - QG2 VAL 118 OK 11 92 - 12 - 3.6/10264=3, ~11543=3...(4) HE3 LYS 26 - QG2 VAL 118 OK 11 92 - 12 - 3.6/10264=3, ~11543=3...(4) HE2 LYS 31 - QG2 VAL 118 lone 5 99 - 5 - ~11543=1, 11543/2.1=1 HE3 LYS 31 - QG2 VAL 118 lone 4 92 - 5 - ~11543=1, 11543/2.1=1 HE3 LYS 24 - QG2 VAL 118 lone 4 100 - 4 - 4.0/10264=2 HE3 LYS 36 - QG2 VAL 118 lone 4 100 - 4 - 4.0/10264=1 HE2 LYS 36 - QG2 VAL 118 lone 4 92 - 4 - 4.0/10264=1 HE2 LYS 24 - QG2 VAL 118 lone 3 81 - 4 - 4.0/10264=2 HE3 LYS 19 - QG2 VAL 118 lone 2 99 - 2 - HE2 LYS 19 - QG2 VAL 118 lone 2 96 - 2 - HE3 LYS 86 - QG2 VAL 118 lone 1 98 - 1 - Peak 11541 from cnoeabs.peaks (2.80, 1.01, 22.19 ppm; 4.36 A): 4 out of 4 assignments used, quality = 0.91: HB2 ASN 121 + QG2 VAL 118 OK 76 98 - 77 - ~11538=21, 3.5/10332=20...(11) HB3 ASN 120 + QG2 VAL 118 OK 34 100 - 34 - ~11565=14, 3734/3.2=7...(7) HB2 ASN 120 + QG2 VAL 118 OK 34 100 - 34 - ~11565=14, 3734/3.2=7...(7) HB3 ASP 64 + QG2 VAL 118 OK 14 100 - 14 - ~9412=6, ~9414=6, 3734/3.2=2 Peak 11542 from cnoeabs.peaks (4.38, 2.06, 31.53 ppm; 4.67 A): 0 out of 4 assignments used, low quality = 0.29: HA SER 107 - HB VAL 118 OK 18 81 - 22 - ~10105=11, 3.0/11473=9 HA PRO 113 - HB VAL 118 OK 14 65 - 22 - 2.3/3606=4, 2.3/3598=4...(8) HA ASP 78 - HB VAL 118 lone 9 98 - 9 - ~10267=3, 3.0/11161=3 HA CYS 73 - HB VAL 118 lone 6 96 - 6 - ~9563=3, 10286/4.6=2 Peak 11543 from cnoeabs.peaks (2.97, 2.06, 31.53 ppm; 5.96 A): 5 out of 11 assignments used, quality = 0.87: HB3 ASN 121 + HB VAL 118 OK 71 81 - 88 - ~10332=28, 3735/3.0=24...(11) HE3 LYS 26 + HB VAL 118 OK 25 100 - 25 - ~11540=8, 11540/2.1=8...(5) HE2 LYS 26 + HB VAL 118 OK 25 100 - 25 - ~11540=8, 11540/2.1=8...(5) HE2 LYS 31 + HB VAL 118 OK 11 98 - 11 - 11540/2.1=4, ~11540=3, ~3735=2 HE3 LYS 31 + HB VAL 118 OK 11 100 - 11 - ~11540=4, 11540/2.1=3 HE3 LYS 24 - HB VAL 118 poor 9 87 - 10 - 11540/2.1=3, 4.0/10259=3 HE3 LYS 36 - HB VAL 118 lone 9 87 - 10 - 11540/2.1=3, ~11540=3 HE2 LYS 36 - HB VAL 118 lone 6 57 - 10 - ~11540=3, 11540/2.1=3 HE3 LYS 19 - HB VAL 118 lone 5 98 - 5 - 11540/2.1=2, ~11540=2 HE2 LYS 19 - HB VAL 118 lone 4 65 - 5 - ~11540=2, 11540/2.1=2 HE3 LYS 86 - HB VAL 118 lone 2 73 - 3 - Peak 11544 from cnoeabs.peaks (2.82, 2.06, 31.53 ppm; 5.37 A): 0 out of 3 assignments used, low quality = 0.16: HB3 ASN 85 - HB VAL 118 OK 16 81 - 20 - 10245/4.0=12, ~10279=4...(4) HB3 ASP 71 - HB VAL 118 lone 2 100 - 2 - HB2 ASN 13 - HB VAL 118 lone 2 100 - 2 - Peak 11545 from cnoeabs.peaks (2.22, 1.01, 22.19 ppm; 3.78 A): 3 out of 6 assignments used, quality = 0.57: HB3 GLN 104 + QG2 VAL 118 OK 29 92 - 32 - ~11432=14, 3.9/10278=10...(5) HB2 GLN 68 + QG2 VAL 118 OK 29 99 - 29 - 3.0/10270=15, 4.4/6929=5...(6) HB3 GLN 127 + QG2 VAL 118 OK 14 65 - 22 - 1.8/3750=3, 11546/2.1=3...(11) HB3 GLU 128 - QG2 VAL 118 lone 6 73 - 8 - 3.6/10278=2, 11546/2.1=1 HB3 GLU 97 - QG2 VAL 118 lone 3 100 - 3 - HG2 GLU 91 - QG2 VAL 118 lone 1 57 - 2 - Peak 11546 from cnoeabs.peaks (2.22, 0.90, 21.66 ppm; 4.17 A): 6 out of 8 assignments used, quality = 0.88: HB3 GLU 102 + QG1 VAL 118 OK 48 92 - 52 - 3.8/10067=19...(6) HB3 GLN 104 + QG1 VAL 118 OK 41 99 - 42 - 3.0/11432=31...(5) HB3 GLN 127 + QG1 VAL 118 OK 30 99 - 30 - 3.0/10268=6, 11545/2.1=4...(12) HB2 GLN 68 + QG1 VAL 118 OK 23 92 - 26 - ~10270=10, 11545/2.1=9...(4) HG2 GLN 68 + QG1 VAL 118 OK 16 81 - 20 - ~11545=7, 3.5/3742=4...(6) HB3 GLU 128 + QG1 VAL 118 OK 11 100 - 11 - 3415/11432=3...(4) HB3 GLU 97 - QG1 VAL 118 lone 3 73 - 4 - HG2 GLU 91 - QG1 VAL 118 lone 2 98 - 2 - Peak 11547 from cnoeabs.peaks (0.78, 3.81, 65.23 ppm; 5.33 A): 4 out of 6 assignments used, quality = 0.91: QD1 LEU 103 + HA VAL 118 OK 80 98 - 81 - 11548/3.0=23, ~10263=21...(11) QD2 LEU 122 + HA VAL 118 OK 39 99 - 39 - 5.1/7718=17, 11549/3.2=8...(7) QG1 VAL 63 + HA VAL 118 OK 15 99 - 15 - 10265/3.2=5, 11548/3.0=4 QD1 LEU 53 + HA VAL 118 OK 12 65 - 18 - 10256/2.8=6, 4.6/3732=5...(4) QD1 ILE 37 - HA VAL 118 poor 9 87 - 11 - 10265/3.2=3, 11548/3.0=3 QD1 ILE 32 - HA VAL 118 lone 6 73 - 8 - 10265/3.2=3, 11548/3.0=2 Peak 11548 from cnoeabs.peaks (0.78, 2.06, 31.53 ppm; 3.48 A): 2 out of 6 assignments used, quality = 0.58: QD1 LEU 103 + HB VAL 118 OK 54 99 - 54 - 10265/2.1=18...(8) QG1 VAL 63 + HB VAL 118 OK 10 98 - 10 - 10265/2.1=5, 11549/2.1=1 QD2 LEU 122 - HB VAL 118 poor 10 81 - 12 - 10265/2.1=4, 11547/3.0=3...(4) QD1 LEU 96 - HB VAL 118 lone 6 73 - 9 - 10265/2.1=2, 3.2/10259=2...(4) QD1 ILE 37 - HB VAL 118 lone 6 100 - 6 - 10265/2.1=3 QD1 ILE 32 - HB VAL 118 lone 6 98 - 6 - 10265/2.1=3 Peak 11549 from cnoeabs.peaks (0.79, 0.90, 21.66 ppm; 3.02 A): 2 out of 5 assignments used, quality = 0.46: QD1 LEU 103 + QG1 VAL 118 OK 36 73 - 50 - 3.2/10261=13...(12) QD2 LEU 122 + QG1 VAL 118 OK 15 98 - 15 - 5.1/11748=4, 11547/3.2=2...(5) QG1 VAL 63 - QG1 VAL 118 lone 7 81 - 9 - 9416/9415=1, 10265/2.1=1 QD2 LEU 49 - QG1 VAL 118 lone 7 81 - 9 - 2.1/10261=3, 10256/3.9=2 QD1 LEU 53 - QG1 VAL 118 lone 7 96 - 7 - 4.6/3747=2, 10256/3.9=2 Peak 11551 from cnoeabs.peaks (7.95, 1.87, 40.68 ppm; 5.02 A): 1 out of 2 assignments used, quality = 0.74: H SER 124 + HB3 LEU 119 OK 74 96 - 78 - 4.2/11552=23, 7764=16...(15) H ASP 64 - HB3 LEU 119 lone 1 65 - 1 - Peak 11552 from cnoeabs.peaks (8.26, 1.87, 40.68 ppm; 4.40 A): 2 out of 4 assignments used, quality = 0.71: H LEU 123 + HB3 LEU 119 OK 65 92 - 71 - 4.2/11551=21, ~3762=13...(14) H GLU 30 + HB3 LEU 119 OK 18 99 - 18 - 7761/11551=3, 7737/2.9=3...(10) H ASP 131 - HB3 LEU 119 lone 3 87 - 3 - 7896/10969=1 H LEU 96 - HB3 LEU 119 lone 1 57 - 2 - Peak 11553 from cnoeabs.peaks (7.93, 0.94, 25.07 ppm; 4.04 A): 2 out of 2 assignments used, quality = 0.49: HD22 ASN 116 + QD1 LEU 119 OK 42 57 - 73 - 1.7/10218=27...(9) H VAL 112 + QD1 LEU 119 OK 13 73 - 18 - 4.6/10121=13...(3) Peak 11554 from cnoeabs.peaks (2.96, 1.87, 40.68 ppm; 5.80 A): 0 out of 11 assignments used, low quality = 0.00: HE3 LYS 86 - HB3 LEU 119 lone 9 100 - 9 - 10299/4.6=8 HE2 LYS 19 - HB3 LEU 119 lone 9 99 - 9 - 10299/4.6=7 HE2 LYS 36 - HB3 LEU 119 lone 5 98 - 5 - 10299/4.6=3 HE3 LYS 36 - HB3 LEU 119 lone 5 100 - 5 - 10299/4.6=2 HE2 LYS 24 - HB3 LEU 119 lone 4 92 - 5 - 10299/4.6=3 HE3 LYS 24 - HB3 LEU 119 lone 4 100 - 4 - 10299/4.6=2 HE3 LYS 19 - HB3 LEU 119 lone 3 96 - 3 - HE2 LYS 31 - HB3 LEU 119 lone 2 96 - 2 - HE2 LYS 26 - HB3 LEU 119 lone 2 81 - 2 - HE3 LYS 26 - HB3 LEU 119 lone 2 81 - 2 - HE3 LYS 31 - HB3 LEU 119 lone 2 81 - 2 - Peak 11556 from cnoeabs.peaks (4.40, 0.94, 25.07 ppm; 4.40 A): 2 out of 3 assignments used, quality = 0.70: HA THR 115 + QD1 LEU 119 OK 59 100 - 60 - 3.0/10166=28...(7) HA SER 33 + QD1 LEU 119 OK 26 98 - 27 - 10853/3.0=14, ~10863=7...(4) HA SER 9 - QD1 LEU 119 lone 5 87 - 5 - 10853/3.0=3, 10286/4.6=1 Peak 11557 from cnoeabs.peaks (2.06, 0.94, 25.07 ppm; 4.09 A): 4 out of 6 assignments used, quality = 0.62: HB VAL 118 + QD1 LEU 119 OK 25 73 - 34 - 4.6/7656=14...(8) HG3 PRO 113 + QD1 LEU 119 OK 24 96 - 25 - 2.3/10140=14...(4) HG3 PRO 58 + QD1 LEU 119 OK 20 81 - 24 - 2.3/9325=10, 2.3/9323=9 HB2 GLN 127 + QD1 LEU 119 OK 17 73 - 23 - 3.0/11611=15, 4.7/10440=6 HB2 LEU 62 - QD1 LEU 119 lone 7 73 - 9 - ~10994=3, ~10992=2 HB3 GLN 27 - QD1 LEU 119 lone 6 96 - 6 - 7648/4.6=1 Peak 11558 from cnoeabs.peaks (7.92, 0.80, 23.00 ppm; 5.55 A): 1 out of 1 assignment used, quality = 0.91: HD22 ASN 116 + QD2 LEU 119 OK 91 100 - 91 - 10223=38, 1.7/10219=33...(9) Peak 11559 from cnoeabs.peaks (8.45, 0.94, 25.07 ppm; 4.99 A): 2 out of 3 assignments used, quality = 0.88: H ASN 116 + QD1 LEU 119 OK 86 100 - 86 - 4.0/10295=28...(10) H ALA 12 + QD1 LEU 119 OK 15 100 - 15 - 3661/10295=3...(8) H ASN 13 - QD1 LEU 119 lone 4 65 - 6 - 3.6/10296=2, 4.1/10294=1 Peak 11560 from cnoeabs.peaks (8.26, 4.42, 56.05 ppm; 4.24 A): 2 out of 3 assignments used, quality = 0.88: H LEU 123 + HA ASN 120 OK 83 100 - 83 - 3.9/11564=27, 7738=21...(15) H GLU 30 + HA ASN 120 OK 30 99 - 30 - 7704/3.6=9, 7738=7...(10) H ASP 131 - HA ASN 120 lone 1 57 - 1 - Peak 11561 from cnoeabs.peaks (2.80, 4.37, 64.81 ppm; 3.52 A): 2 out of 4 assignments used, quality = 0.86: HB3 ASN 120 + HA PRO 117 OK 63 98 - 64 - 11563=17, 3.5/11734=17...(8) HB2 ASN 120 + HA PRO 117 OK 63 98 - 64 - 11563=17, 3.5/11734=17...(8) HB2 ASN 121 - HA PRO 117 lone 6 100 - 6 - 7670/11562=2, 11563=1 HB3 ASP 64 - HA PRO 117 lone 1 96 - 1 - Peak 11563 from cnoeabs.peaks (4.36, 2.80, 37.77 ppm; 3.60 A): 2 out of 12 assignments used, quality = 0.87: HA PRO 117 + HB3 ASN 120 OK 64 96 - 68 - 11561=21, 11562/3.8=17...(8) HA PRO 117 + HB2 ASN 120 OK 64 96 - 68 - 11561=21, 11562/3.8=17...(8) HA PRO 113 - HB2 ASN 120 poor 8 65 - 12 - 11734/3.5=4, 11562/3.8=3...(4) HA PRO 113 - HB3 ASN 120 poor 8 65 - 12 - 11734/3.5=4, 11562/3.8=3...(4) HA PRO 117 - HB2 ASN 121 lone 5 77 - 7 - 11562/7670=2, 11561=2 HA CYS 125 - HB2 ASN 121 lone 4 56 - 7 - ~7774=6 HA CYS 125 - HB3 ASN 120 lone 1 73 - 1 - HA CYS 125 - HB2 ASN 120 lone 1 73 - 1 - HA PRO 113 - HB2 ASN 121 lone 1 49 - 2 - HA GLN 134 - HB3 ASN 120 lone 0 57 - 1 - HA GLN 134 - HB2 ASN 120 lone 0 57 - 1 - HA GLN 134 - HB2 ASN 121 lone 0 42 - 0 - Peak 11564 from cnoeabs.peaks (1.86, 4.42, 56.05 ppm; 3.95 A): 1 out of 1 assignment used, quality = 0.65: HB3 LEU 123 + HA ASN 120 OK 65 100 - 66 - 1.8/11566=28...(12) Peak 11565 from cnoeabs.peaks (0.90, 4.42, 56.05 ppm; 3.88 A): 0 out of 3 assignments used, low quality = 0.34: QG1 VAL 118 - HA ASN 120 OK 27 99 - 27 - 10324/4.9=9, ~7661=6...(8) QD1 LEU 22 - HA ASN 120 OK 10 98 - 11 - ~7664=3, ~7666=3, 10324/4.9=2 QG2 VAL 20 - HA ASN 120 lone 5 87 - 5 - 10324/4.9=3 Peak 11566 from cnoeabs.peaks (1.65, 4.42, 56.05 ppm; 3.97 A): 1 out of 7 assignments used, quality = 0.74: HB2 LEU 123 + HA ASN 120 OK 74 98 - 75 - 1.8/11564=38...(14) HD3 LYS 19 - HA ASN 120 lone 7 99 - 7 - ~10299=3 HD2 LYS 19 - HA ASN 120 lone 7 99 - 7 - ~10299=3 HG LEU 62 - HA ASN 120 lone 5 100 - 5 - 3930/3814=1 HB2 LEU 98 - HA ASN 120 lone 4 92 - 5 - 3930/3814=1 HG LEU 43 - HA ASN 120 lone 2 96 - 3 - HD2 LYS 95 - HA ASN 120 lone 1 81 - 1 - Peak 11567 from cnoeabs.peaks (4.42, 1.57, 26.72 ppm; 5.35 A): 3 out of 5 assignments used, quality = 0.98: HA ASN 120 + HG LEU 123 OK 85 98 - 87 - 11564/3.0=43...(12) HA THR 54 + HG LEU 123 OK 75 99 - 75 - 9277/2.1=37, ~11584=20...(9) HA VAL 112 + HG LEU 123 OK 52 100 - 52 - 11568/2.1=12, 3918/3.0=8...(14) HA ASP 71 - HG LEU 123 OK 15 87 - 18 - 11569/2.1=11...(4) HA MET 11 - HG LEU 123 lone 9 100 - 9 - 11568/2.1=2, 3927/3.0=1...(4) Peak 11568 from cnoeabs.peaks (4.42, 0.93, 23.65 ppm; 4.92 A): 3 out of 5 assignments used, quality = 0.99: HA ASN 120 + QD1 LEU 123 OK 83 98 - 84 - 11564/3.2=39...(13) HA THR 54 + QD1 LEU 123 OK 78 99 - 78 - 9277/2.1=33...(11) HA VAL 112 + QD1 LEU 123 OK 70 100 - 70 - 3.8/10137=17...(17) HA ASP 71 - QD1 LEU 123 OK 15 87 - 17 - 11569/2.1=10...(3) HA MET 11 - QD1 LEU 123 OK 13 100 - 13 - 3566/10137=2...(6) Peak 11569 from cnoeabs.peaks (4.41, 0.88, 25.36 ppm; 4.44 A): 0 out of 2 assignments used, low quality = 0.00: HA ASP 71 - QD2 LEU 123 lone 2 96 - 2 - HA HIS 5 - QD2 LEU 123 lone 1 100 - 1 - Peak 11571 from cnoeabs.peaks (0.78, 1.65, 41.23 ppm; 3.80 A): 3 out of 5 assignments used, quality = 0.70: QD1 ILE 37 + HB2 LEU 123 OK 59 92 - 64 - ~10916=16, 2.1/3923=11...(20) QD2 LEU 122 + HB2 LEU 123 OK 19 98 - 20 - 3907/3.9=14, 3907/3919=2 QG1 VAL 63 + HB2 LEU 123 OK 10 100 - 10 - 4.0/6808=4, 11016/1.8=3 QD1 LEU 103 - HB2 LEU 123 lone 8 99 - 8 - 7747/3.9=4 QD1 ILE 32 - HB2 LEU 123 lone 3 81 - 4 - Peak 11573 from cnoeabs.peaks (4.22, 1.65, 41.23 ppm; 4.62 A): 5 out of 8 assignments used, quality = 0.82: HA GLU 30 + HB2 LEU 123 OK 60 99 - 60 - 3.0/3919=15, 753/3.9=10...(13) HA ALA 29 + HB2 LEU 123 OK 29 92 - 32 - 3.6/3919=13, 748/3.9=8...(6) HA ALA 34 + HB2 LEU 123 OK 19 100 - 19 - 10868/3.9=6, 10872/3.2=4...(7) HA SER 99 + HB2 LEU 123 OK 14 87 - 17 - 2.9/7377=6, ~3916=4...(4) HA SER 94 + HB2 LEU 123 OK 12 65 - 18 - 11335/3.2=7, ~7281=4...(4) HB3 SER 38 - HB2 LEU 123 lone 8 100 - 8 - 9050/3.2=3, 9050/3925=2 HA SER 51 - HB2 LEU 123 lone 2 81 - 2 - HA HIS 67 - HB2 LEU 123 lone 1 87 - 2 - Peak 11574 from cnoeabs.peaks (8.07, 0.88, 25.36 ppm; 4.51 A): 2 out of 2 assignments used, quality = 0.69: H ASN 120 + QD2 LEU 123 OK 50 73 - 68 - ~11564=17, ~11566=13...(14) H VAL 20 + QD2 LEU 123 OK 38 87 - 43 - ~11772=8, 4.6/10701=8...(11) Peak 11575 from cnoeabs.peaks (6.80, 0.88, 25.36 ppm; 4.83 A): 1 out of 1 assignment used, quality = 0.60: HE21 GLN 101 + QD2 LEU 123 OK 60 96 - 63 - 11577/2.1=27...(6) Peak 11576 from cnoeabs.peaks (7.46, 0.93, 23.65 ppm; 4.65 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11577 from cnoeabs.peaks (6.80, 0.93, 23.65 ppm; 5.85 A): 1 out of 1 assignment used, quality = 0.48: HE21 GLN 101 + QD1 LEU 123 OK 48 96 - 50 - 11575/2.1=48...(3) Peak 11578 from cnoeabs.peaks (2.48, 0.93, 23.65 ppm; 3.85 A): 0 out of 2 assignments used, low quality = 0.34: HG3 GLN 127 - QD1 LEU 123 OK 34 92 - 37 - 11581/2.1=16...(7) HG3 GLN 104 - QD1 LEU 123 lone 4 65 - 7 - 11581/2.1=4, 11442=2 Peak 11579 from cnoeabs.peaks (2.36, 0.93, 23.65 ppm; 3.75 A): 3 out of 5 assignments used, quality = 0.79: HG3 GLN 27 + QD1 LEU 123 OK 48 100 - 48 - 10767=41, 3.7/10760=10 HG2 GLN 127 + QD1 LEU 123 OK 41 92 - 45 - 1.8/11578=31, ~11581=13...(5) HG2 GLN 27 + QD1 LEU 123 OK 31 81 - 39 - 1.8/10767=31...(3) HB2 PRO 117 - QD1 LEU 123 lone 3 99 - 3 - HG2 GLU 102 - QD1 LEU 123 lone 1 100 - 1 - Peak 11580 from cnoeabs.peaks (2.78, 0.88, 25.36 ppm; 4.91 A): 0 out of 2 assignments used, low quality = 0.00: HB3 ASN 13 - QD2 LEU 123 lone 2 96 - 2 - HB2 ASP 131 - QD2 LEU 123 lone 1 98 - 1 - Peak 11581 from cnoeabs.peaks (2.48, 0.88, 25.36 ppm; 4.81 A): 0 out of 2 assignments used, low quality = 0.26: HG3 GLN 127 - QD2 LEU 123 OK 26 57 - 46 - 11578/2.1=34, ~11579=12...(4) HG3 GLN 104 - QD2 LEU 123 lone 7 96 - 7 - 11442/2.1=5 Peak 11582 from cnoeabs.peaks (2.34, 0.88, 25.36 ppm; 5.08 A): 0 out of 4 assignments used, low quality = 0.34: HG3 GLU 30 - QD2 LEU 123 OK 34 81 - 43 - 10801=29, 5.1/3944=12, 781/4.8=7 HG2 GLU 44 - QD2 LEU 123 lone 7 100 - 7 - 1423/9163=2 HB VAL 77 - QD2 LEU 123 lone 4 96 - 5 - 9646/11422=1 HB3 GLN 134 - QD2 LEU 123 lone 3 65 - 5 - ~10598=1 Peak 11583 from cnoeabs.peaks (1.25, 0.88, 25.36 ppm; 3.45 A): 2 out of 2 assignments used, quality = 0.52: QG2 THR 54 + QD2 LEU 123 OK 34 87 - 39 - 11584/2.1=22...(6) QG2 THR 83 + QD2 LEU 123 OK 27 81 - 34 - 11584/2.1=16, ~9758=7...(7) Peak 11584 from cnoeabs.peaks (1.25, 0.93, 23.65 ppm; 3.04 A): 0 out of 2 assignments used, low quality = 0.39: QG2 THR 54 - QD1 LEU 123 OK 25 81 - 31 - 11583/2.1=14, ~9277=6...(7) QG2 THR 83 - QD1 LEU 123 OK 18 73 - 25 - 11583/2.1=12, ~9758=5...(7) Peak 11587 from cnoeabs.peaks (0.89, 4.24, 61.64 ppm; 4.74 A): 2 out of 3 assignments used, quality = 0.90: QD2 LEU 123 + HA SER 124 OK 86 92 - 94 - 3951/2.9=26...(14) QG2 VAL 20 + HA SER 124 OK 27 99 - 27 - 7766/2.9=6, 355/3.0=4...(10) QD1 LEU 22 - HA SER 124 lone 4 92 - 4 - ~10725=2, ~10371=2 Peak 11588 from cnoeabs.peaks (0.76, 4.24, 61.64 ppm; 4.70 A): 0 out of 1 assignment used, low quality = 0.10: QD2 LEU 43 - HA SER 124 OK 10 81 - 13 - 11805/4.9=4, 11091/3.6=3 Peak 11589 from cnoeabs.peaks (4.00, 4.35, 62.64 ppm; 4.03 A): 0 out of 4 assignments used, low quality = 0.32: HB2 SER 124 - HA CYS 125 OK 23 65 - 36 - ~7781=14, ~3979=13, 7780/2.9=13 HB3 SER 99 - HA CYS 125 OK 11 100 - 11 - 3215/3.6=4, 3.7/3984=4...(4) HA SER 50 - HA CYS 125 poor 8 73 - 10 - 7780/2.9=5, ~6614=3, 3970/4.9=2 HA SER 60 - HA CYS 125 lone 1 92 - 1 - Peak 11590 from cnoeabs.peaks (4.20, 4.35, 62.64 ppm; 4.38 A): 2 out of 3 assignments used, quality = 0.65: HA GLU 128 + HA CYS 125 OK 59 81 - 73 - 2.9/7839=27, 3.0/4095=20...(9) HA ALA 88 + HA CYS 125 OK 17 100 - 17 - 9859/3.0=15 HB THR 25 - HA CYS 125 lone 3 99 - 3 - Peak 11591 from cnoeabs.peaks (1.65, 4.35, 62.64 ppm; 5.69 A): 0 out of 9 assignments used, low quality = 0.33: HG LEU 43 - HA CYS 125 OK 24 98 - 25 - ~11091=6, 4.6/3984=5...(6) HB2 LEU 98 - HA CYS 125 OK 12 87 - 13 - 4.6/3984=6, 3166/3.6=5 HG2 ARG 84 - HA CYS 125 poor 10 65 - 14 - 3.0/3983=3, 3.0/3983=3...(4) HG3 ARG 84 - HA CYS 125 poor 10 65 - 14 - 3.0/3983=3, 3.0/3983=3...(4) HG LEU 62 - HA CYS 125 lone 7 99 - 7 - ~10384=3 HB2 LEU 123 - HA CYS 125 lone 7 96 - 7 - ~11597=1, ~11596=1 HD2 LYS 95 - HA CYS 125 lone 3 73 - 4 - 9828/9955=1 HD3 LYS 19 - HA CYS 125 lone 2 98 - 2 - HD2 LYS 19 - HA CYS 125 lone 2 98 - 2 - Peak 11592 from cnoeabs.peaks (1.96, 4.35, 62.64 ppm; 6.26 A): 2 out of 5 assignments used, quality = 0.57: HB3 LYS 86 + HA CYS 125 OK 47 98 - 49 - 3.0/10376=32, ~10380=20 HB2 GLN 27 + HA CYS 125 OK 19 81 - 23 - 3.0/11594=9, ~10384=7...(4) HB2 GLU 30 - HA CYS 125 lone 8 99 - 8 - 2651/10376=2, 765/4278=2 HB2 PRO 58 - HA CYS 125 poor 7 65 - 11 - 1.8/11593=3, ~10384=2...(4) HB3 ARG 90 - HA CYS 125 lone 6 81 - 8 - 2651/10376=3, ~11596=2 Peak 11593 from cnoeabs.peaks (2.42, 4.35, 62.64 ppm; 5.24 A): 2 out of 5 assignments used, quality = 0.79: HG3 GLU 128 + HA CYS 125 OK 76 98 - 78 - 3.0/4095=27...(7) HG3 GLU 97 + HA CYS 125 OK 13 99 - 13 - 7854/7839=3, 4093/4087=2...(6) HG2 GLN 101 - HA CYS 125 lone 8 92 - 9 - 7854/7839=2, 4101/4095=2 HB3 PRO 58 - HA CYS 125 lone 6 81 - 7 - 1.8/11592=2, ~10384=2 HG3 GLN 61 - HA CYS 125 lone 3 92 - 3 - Peak 11594 from cnoeabs.peaks (2.36, 4.35, 62.64 ppm; 5.58 A): 3 out of 4 assignments used, quality = 0.52: HG2 GLU 102 + HA CYS 125 OK 30 92 - 32 - 3.0/3987=9, 3.0/3986=9...(7) HG2 GLN 127 + HA CYS 125 OK 20 65 - 31 - 3.0/3987=9, ~10359=6...(5) HG3 GLN 27 + HA CYS 125 OK 15 92 - 16 - 3.0/11592=6, ~10384=5...(4) HB2 PRO 117 - HA CYS 125 lone 4 99 - 4 - Peak 11595 from cnoeabs.peaks (1.63, 2.74, 27.12 ppm; 5.10 A): 0 out of 4 assignments used, low quality = 0.31: HG LEU 119 - HB2 CYS 125 OK 31 92 - 34 - ~10386=21, 10363/3.9=15 HG3 ARG 23 - HB2 CYS 125 lone 2 100 - 2 - 10363/3.9=1 HG LEU 22 - HB2 CYS 125 lone 2 57 - 3 - 10363/3.9=2 HB3 LEU 22 - HB2 CYS 125 lone 2 57 - 3 - 10363/3.9=2 Peak 11596 from cnoeabs.peaks (1.92, 2.74, 27.12 ppm; 5.43 A): 0 out of 4 assignments used, low quality = 0.39: HB3 LEU 49 - HB2 CYS 125 OK 25 96 - 26 - 11597/1.8=21, ~10378=4 HB2 MET 11 - HB2 CYS 125 OK 19 98 - 20 - 11597/1.8=18 HB2 ARG 90 - HB2 CYS 125 lone 2 81 - 3 - ~11592=2 HB3 LEU 123 - HB2 CYS 125 lone 2 40 - 6 - ~11591=2, 11597/1.8=2 Peak 11597 from cnoeabs.peaks (1.92, 3.21, 27.12 ppm; 4.61 A): 0 out of 4 assignments used, low quality = 0.24: HB3 LEU 49 - HB3 CYS 125 OK 14 81 - 18 - 11596/1.8=14, ~10378=3 HB2 MET 11 - HB3 CYS 125 OK 12 100 - 12 - 11596/1.8=11 HG2 PRO 113 - HB3 CYS 125 lone 3 65 - 4 - 1.8/10384=3 HB3 LEU 123 - HB3 CYS 125 lone 1 35 - 4 - ~11591=2, 11596/1.8=1 Peak 11598 from cnoeabs.peaks (7.89, 3.43, 67.09 ppm; 6.08 A): 2 out of 4 assignments used, quality = 0.96: H GLU 128 + HA VAL 126 OK 93 96 - 97 - 7841=45, 4.2/7859=45...(16) H ALA 41 + HA VAL 126 OK 51 99 - 52 - 7801/2.9=14, 7819/3.6=12...(11) H SER 106 - HA VAL 126 poor 7 65 - 11 - 4.4/4003=3, 7538/3.2=3 H GLN 104 - HA VAL 126 lone 3 81 - 4 - 7481/4.8=1 Peak 11599 from cnoeabs.peaks (8.44, 0.96, 22.68 ppm; 5.57 A): 3 out of 5 assignments used, quality = 0.62: H ALA 12 + QG1 VAL 126 OK 37 96 - 38 - ~11617=20, ~10403=19 H ASN 116 + QG1 VAL 126 OK 29 87 - 33 - 10230=11, 5.5/10222=8...(8) H VAL 93 + QG1 VAL 126 OK 16 87 - 19 - 3.6/11604=13, 7264/10394=3 H ALA 34 - QG1 VAL 126 lone 5 65 - 8 - ~10404=3, 4.6/10393=2 H ASN 13 - QG1 VAL 126 lone 3 96 - 3 - Peak 11600 from cnoeabs.peaks (8.52, 0.96, 22.68 ppm; 4.65 A): 0 out of 2 assignments used, low quality = 0.00: H HIS 5 - QG1 VAL 126 lone 1 92 - 1 - H HIS 4 - QG1 VAL 126 lone 1 99 - 1 - Peak 11601 from cnoeabs.peaks (8.66, 0.96, 22.68 ppm; 4.11 A): 0 out of 4 assignments used, low quality = 0.42: H SER 50 - QG1 VAL 126 OK 42 100 - 42 - 11785=21, 11785/2.1=12...(6) H HIS 67 - QG1 VAL 126 lone 4 99 - 4 - 6645/11602=2, 9452/11620=1 H SER 60 - QG1 VAL 126 lone 3 73 - 4 - ~10397=3 H HIS 8 - QG1 VAL 126 lone 1 100 - 1 - Peak 11602 from cnoeabs.peaks (8.02, 0.96, 22.68 ppm; 4.18 A): 0 out of 2 assignments used, low quality = 0.20: H ALA 52 - QG1 VAL 126 OK 20 87 - 23 - 6627/11601=9, ~6668=6...(5) H ALA 16 - QG1 VAL 126 lone 3 73 - 5 - 10668/11613=2 Peak 11603 from cnoeabs.peaks (8.03, 0.96, 23.84 ppm; 4.14 A): 3 out of 6 assignments used, quality = 0.73: H SER 130 + QG2 VAL 126 OK 53 99 - 53 - 7877/3.2=26, 10497=12...(8) H CYS 125 + QG2 VAL 126 OK 28 57 - 48 - 3.6/4021=21, ~10395=10...(8) H ALA 52 + QG2 VAL 126 OK 20 92 - 22 - 3.3/6668=9, 11602/2.1=7...(4) H ALA 16 - QG2 VAL 126 lone 4 98 - 4 - 11602/2.1=1 H TYR 76 - QG2 VAL 126 lone 3 57 - 5 - 7792/4.0=1 H CYS 79 - QG2 VAL 126 lone 3 57 - 5 - 7792/4.0=1 Peak 11604 from cnoeabs.peaks (4.05, 0.96, 22.68 ppm; 4.55 A): 3 out of 5 assignments used, quality = 0.66: HA LEU 122 + QG1 VAL 126 OK 42 99 - 42 - 3.8/11613=15...(8) HA ALA 92 + QG1 VAL 126 OK 31 96 - 33 - 4.9/10394=12, ~7255=6...(7) HA GLU 102 + QG1 VAL 126 OK 14 100 - 14 - 7788/4.0=3, 3331/3469=2...(5) HA GLU 44 - QG1 VAL 126 lone 6 98 - 6 - 7788/4.0=3 HA LEU 96 - QG1 VAL 126 lone 4 57 - 7 - 7788/4.0=2 Peak 11605 from cnoeabs.peaks (4.21, 3.97, 58.71 ppm; 4.45 A): 0 out of 5 assignments used, low quality = 0.25: HA HIS 67 - HA GLN 127 OK 25 96 - 26 - 3.6/6876=10, 11036/3.0=7...(7) HA SER 99 - HA GLN 127 lone 9 96 - 9 - 3207/3.0=2, ~7807=2, 3340/4030=1 HA SER 51 - HA GLN 127 lone 4 98 - 4 - 3.6/4036=2 HB3 SER 38 - HA GLN 127 lone 2 65 - 3 - HA ALA 88 - HA GLN 127 lone 1 57 - 1 - Peak 11606 from cnoeabs.peaks (4.24, 2.35, 33.92 ppm; 3.01 A): 3 out of 5 assignments used, quality = 0.62: HA GLN 27 + HG2 GLN 127 OK 41 100 - 41 - 696=9, 695/3.0=6...(13) HA SER 124 + HG2 GLN 127 OK 26 99 - 26 - 3967/3.0=7, 3965/4.8=7...(6) HA ALA 28 + HG2 GLN 127 OK 13 92 - 14 - 3.0/6299=3, 4049/3.0=2...(6) HA SER 94 - HG2 GLN 127 poor 6 57 - 10 - 3.0/4060=2, 4049/3.0=2...(5) HA ARG 84 - HG2 GLN 127 lone 2 92 - 2 - Peak 11607 from cnoeabs.peaks (4.24, 2.49, 33.92 ppm; 4.66 A): 4 out of 5 assignments used, quality = 0.94: HA GLN 27 + HG3 GLN 127 OK 76 100 - 77 - 11606/1.8=23...(19) HA SER 124 + HG3 GLN 127 OK 58 99 - 59 - 3965/4.8=18, 3967/3.0=16...(8) HA ALA 28 + HG3 GLN 127 OK 31 92 - 34 - 11606/1.8=7, 4039/3.0=6...(11) HA SER 94 + HG3 GLN 127 OK 14 57 - 25 - 3.0/4069=4, 4049/3.0=4...(10) HA ARG 84 - HG3 GLN 127 lone 5 92 - 5 - 11606/1.8=1 Peak 11608 from cnoeabs.peaks (3.84, 2.49, 33.92 ppm; 4.99 A): 4 out of 6 assignments used, quality = 0.88: HA LEU 62 + HG3 GLN 127 OK 64 99 - 65 - 11609/1.8=18...(12) HA LEU 123 + HG3 GLN 127 OK 50 96 - 52 - 4.0/11578=27...(7) HA GLU 40 + HG3 GLN 127 OK 23 99 - 23 - 3.6/4076=11, 11609/1.8=6...(4) HD2 PRO 81 + HG3 GLN 127 OK 11 73 - 15 - 11609/1.8=3, 7803/4.8=3 HB2 SER 50 - HG3 GLN 127 lone 4 87 - 5 - HB3 SER 33 - HG3 GLN 127 lone 4 73 - 5 - 3953/11578=1 Peak 11609 from cnoeabs.peaks (3.85, 2.35, 33.92 ppm; 5.01 A): 4 out of 6 assignments used, quality = 0.85: HA LEU 62 + HG2 GLN 127 OK 64 100 - 64 - 11608/1.8=16...(12) HA LEU 123 + HG2 GLN 127 OK 39 99 - 40 - 11608/1.8=13...(6) HA GLU 40 + HG2 GLN 127 OK 22 96 - 23 - 3.6/4067=11, 11608/1.8=6...(4) HD2 PRO 81 + HG2 GLN 127 OK 12 87 - 13 - 7803/4.8=3, 11608/1.8=3...(4) HB3 SER 33 - HG2 GLN 127 lone 3 87 - 4 - HB2 SER 50 - HG2 GLN 127 lone 3 73 - 4 - 11608/1.8=1 Peak 11610 from cnoeabs.peaks (0.91, 2.23, 27.80 ppm; 4.68 A): 4 out of 5 assignments used, quality = 0.91: QD1 LEU 62 + HB3 GLN 127 OK 66 98 - 67 - 10435/3.0=15...(14) QG2 VAL 63 + HB3 GLN 127 OK 51 100 - 51 - 11010=14, 3.7/4050=11...(8) QD1 LEU 49 + HB3 GLN 127 OK 34 99 - 35 - 10431/4.5=11...(5) QD2 LEU 48 + HB3 GLN 127 OK 14 99 - 14 - 10431/4.5=3, 10435/3.0=2...(6) QG1 VAL 20 - HB3 GLN 127 lone 4 98 - 4 - Peak 11611 from cnoeabs.peaks (0.94, 3.97, 58.71 ppm; 4.52 A): 0 out of 2 assignments used, low quality = 0.15: QD1 LEU 119 - HA GLN 127 OK 15 96 - 16 - 10440/3.6=8, 11557/3.0=6 QG2 ILE 37 - HA GLN 127 lone 10 99 - 10 - 10512/7894=3...(3) Peak 11613 from cnoeabs.peaks (0.81, 0.96, 22.68 ppm; 2.98 A): 0 out of 3 assignments used, low quality = 0.12: QG2 ILE 80 - QG1 VAL 126 OK 12 87 - 14 - 4.0/10393=5, ~11170=4...(5) QD1 LEU 122 - QG1 VAL 126 lone 10 100 - 10 - 3.8/11604=5, ~10407=2 QD2 LEU 119 - QG1 VAL 126 lone 2 81 - 3 - 10223/10222=1 Peak 11614 from cnoeabs.peaks (0.80, 0.96, 23.84 ppm; 2.79 A): 2 out of 4 assignments used, quality = 0.51: QD1 LEU 53 + QG2 VAL 126 OK 43 96 - 46 - 1676=14, 10401/3.2=8...(13) QD2 LEU 49 + QG2 VAL 126 OK 14 100 - 14 - ~11615=5, 10401/3.2=3 QD1 LEU 122 - QG2 VAL 126 lone 5 65 - 8 - 11613/2.1=3, ~10407=2 QD2 LEU 119 - QG2 VAL 126 lone 3 98 - 3 - Peak 11615 from cnoeabs.peaks (1.57, 0.96, 22.68 ppm; 3.89 A): 0 out of 4 assignments used, low quality = 0.25: HG LEU 49 - QG1 VAL 126 OK 15 92 - 17 - ~11614=6, ~10401=4...(4) HG LEU 123 - QG1 VAL 126 OK 12 100 - 12 - 3.7/10393=9, 6620/11601=2 HG2 ARG 23 - QG1 VAL 126 lone 2 73 - 2 - 6620/11601=1 HG13 ILE 37 - QG1 VAL 126 lone 1 87 - 2 - Peak 11616 from cnoeabs.peaks (1.34, 0.96, 23.84 ppm; 3.80 A): 1 out of 2 assignments used, quality = 0.63: QB ALA 46 + QG2 VAL 126 OK 63 96 - 67 - 10409/2.1=39, 9175=27...(6) QB ALA 21 - QG2 VAL 126 lone 5 96 - 5 - 10409/2.1=4 Peak 11617 from cnoeabs.peaks (1.36, 2.10, 31.38 ppm; 6.03 A): 0 out of 2 assignments used, low quality = 0.36: QB ALA 12 - HB VAL 126 OK 36 100 - 37 - 10403/3.0=26, ~11599=12 HG2 LYS 19 - HB VAL 126 lone 6 87 - 6 - 11014/10407=3, ~10406=2 Peak 11618 from cnoeabs.peaks (1.99, 0.96, 22.68 ppm; 3.85 A): 3 out of 4 assignments used, quality = 0.72: HB3 LEU 53 + QG1 VAL 126 OK 48 98 - 49 - ~11614=12, 1660/2.1=9...(10) HB2 GLU 91 + QG1 VAL 126 OK 39 96 - 41 - 3.0/10394=15, 2866/2.1=9...(8) HG2 PRO 81 + QG1 VAL 126 OK 12 73 - 17 - 2.3/10393=12, ~4008=3 HB2 GLU 55 - QG1 VAL 126 lone 2 100 - 2 - Peak 11619 from cnoeabs.peaks (0.65, 0.96, 23.84 ppm; 3.82 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11620 from cnoeabs.peaks (2.21, 0.96, 22.68 ppm; 4.38 A): 0 out of 4 assignments used, low quality = 0.22: HB2 GLN 68 - QG1 VAL 126 OK 12 92 - 13 - 3.0/10394=6, 4.4/4015=2 HB3 GLN 104 - QG1 VAL 126 OK 11 73 - 16 - 1.8/11434=9, 4.4/7531=5 HB3 GLU 97 - QG1 VAL 126 lone 1 99 - 1 - HB2 GLN 101 - QG1 VAL 126 lone 1 73 - 1 - Peak 11621 from cnoeabs.peaks (2.49, 0.96, 22.68 ppm; 5.58 A): 0 out of 1 assignment used, low quality = 0.41: HG3 GLN 127 - QG1 VAL 126 OK 41 100 - 41 - 7816/4.3=38, 4068/4020=2 Peak 11622 from cnoeabs.peaks (0.97, 2.08, 28.41 ppm; 4.44 A): 0 out of 3 assignments used, low quality = 0.00: QG2 VAL 126 - HB2 GLU 128 lone 4 65 - 5 - 10475/4.5=5 QD2 LEU 53 - HB2 GLU 128 lone 3 87 - 3 - 10475/4.5=1 QG1 VAL 112 - HB2 GLU 128 lone 3 92 - 3 - 11408/4093=2 Peak 11623 from cnoeabs.peaks (0.83, 2.08, 28.41 ppm; 4.17 A): 0 out of 2 assignments used, low quality = 0.15: QG1 VAL 133 - HB2 GLU 128 OK 15 100 - 15 - 4.3/7951=5, 10005/4093=3...(5) QD2 LEU 22 - HB2 GLU 128 lone 1 87 - 2 - Peak 11624 from cnoeabs.peaks (0.99, 2.22, 28.41 ppm; 4.65 A): 0 out of 1 assignment used, low quality = 0.26: QG2 VAL 105 - HB3 GLU 128 OK 26 57 - 46 - 3.2/4097=10, 4.0/7524=8...(12) Peak 11625 from cnoeabs.peaks (0.87, 2.22, 28.41 ppm; 4.05 A): 0 out of 2 assignments used, low quality = 0.13: QD2 LEU 69 - HB3 GLU 128 OK 13 98 - 13 - ~11069=8, 4.9/6919=2 QD2 LEU 98 - HB3 GLU 128 lone 3 96 - 3 - Peak 11626 from cnoeabs.peaks (0.78, 2.22, 28.41 ppm; 4.46 A): 4 out of 5 assignments used, quality = 0.55: QG1 VAL 63 + HB3 GLU 128 OK 24 100 - 24 - 9400/3.0=6, 2.1/11010=5...(7) QD1 ILE 32 + HB3 GLU 128 OK 20 87 - 23 - ~10844=9, ~10447=6...(5) QD1 LEU 103 + HB3 GLU 128 OK 17 100 - 17 - 4.8/7469=4, 2.1/11717=3...(5) QD1 ILE 37 + HB3 GLU 128 OK 11 96 - 11 - 11061/11625=5, 9026/7254=2 QD2 LEU 122 - HB3 GLU 128 lone 8 96 - 9 - 10378/4095=1 Peak 11627 from cnoeabs.peaks (1.13, 2.42, 34.22 ppm; 3.60 A): 0 out of 3 assignments used, low quality = 0.36: QG1 VAL 132 - HG3 GLU 128 OK 23 98 - 23 - 10442/3.9=9, 4.0/11630=6...(5) HG2 LYS 39 - HG3 GLU 128 OK 17 81 - 21 - 10442/3.9=5, 2.9/4112=4...(9) QG2 THR 115 - HG3 GLU 128 lone 1 81 - 1 - Peak 11628 from cnoeabs.peaks (4.32, 2.42, 34.22 ppm; 4.56 A): 0 out of 2 assignments used, low quality = 0.10: HA LEU 69 - HG3 GLU 128 OK 10 73 - 14 - 3.6/11630=7, ~6919=3, ~6921=3 HA2 GLY 75 - HG3 GLU 128 lone 2 92 - 2 - 4.9/10450=1 Peak 11629 from cnoeabs.peaks (4.34, 2.38, 34.44 ppm; 5.17 A): 0 out of 5 assignments used, low quality = 0.17: HA ASN 59 - HG2 GLN 104 OK 17 92 - 18 - 1879/3.5=8, ~6722=4...(5) HA LEU 69 - HG2 GLN 104 lone 4 73 - 5 - ~6919=2 HA PRO 81 - HG2 GLN 104 lone 3 99 - 3 - HA LYS 24 - HG2 GLN 104 lone 2 96 - 2 - HA ASP 47 - HG2 GLN 104 lone 1 96 - 2 - Peak 11630 from cnoeabs.peaks (8.47, 2.42, 34.22 ppm; 6.13 A): 2 out of 2 assignments used, quality = 0.86: H VAL 132 + HG3 GLU 128 OK 72 98 - 73 - 4.7/10449=31...(6) H LEU 70 + HG3 GLU 128 OK 50 96 - 52 - 3.6/11628=37...(6) Peak 11631 from cnoeabs.peaks (3.43, 0.82, 16.92 ppm; 3.54 A): 1 out of 1 assignment used, quality = 0.69: HA VAL 126 + QG2 ILE 129 OK 69 100 - 69 - 10402/3.0=24...(9) Peak 11632 from cnoeabs.peaks (8.14, 0.82, 16.92 ppm; 4.36 A): 2 out of 5 assignments used, quality = 0.62: H ASP 71 + QG2 ILE 129 OK 43 99 - 43 - 6964=11, ~10454=8...(11) H VAL 133 + QG2 ILE 129 OK 33 87 - 38 - 7923/3.2=15, ~7909=13...(5) H ILE 32 - QG2 ILE 129 lone 7 100 - 7 - 4.6/4141=1 H ALA 15 - QG2 ILE 129 lone 4 98 - 4 - 4.6/4143=2 H LEU 22 - QG2 ILE 129 lone 2 65 - 3 - Peak 11633 from cnoeabs.peaks (7.09, 0.64, 14.39 ppm; 6.69 A): 0 out of 1 assignment used, low quality = 0.00: HZ PHE 87 - QD1 ILE 129 lone 3 98 - 3 - Peak 11634 from cnoeabs.peaks (7.08, 0.82, 16.92 ppm; 4.27 A): 0 out of 1 assignment used, low quality = 0.43: QD PHE 89 - QG2 ILE 129 OK 43 65 - 65 - 2.2/10457=41...(4) Peak 11635 from cnoeabs.peaks (1.63, 0.64, 14.39 ppm; 4.68 A): 0 out of 4 assignments used, low quality = 0.32: HG LEU 43 - QD1 ILE 129 OK 32 73 - 44 - 10510/10453=6...(12) HG3 ARG 84 - QD1 ILE 129 lone 2 99 - 2 - HG2 ARG 84 - QD1 ILE 129 lone 2 99 - 2 - HG3 ARG 23 - QD1 ILE 129 lone 1 65 - 1 - Peak 11636 from cnoeabs.peaks (1.34, 0.64, 14.39 ppm; 4.41 A): 0 out of 2 assignments used, low quality = 0.40: QB ALA 46 - QD1 ILE 129 OK 40 92 - 44 - 11060/11062=11...(9) QB ALA 21 - QD1 ILE 129 lone 5 92 - 5 - 11060/11062=2, 11063/11065=1 Peak 11637 from cnoeabs.peaks (1.52, 0.64, 14.39 ppm; 4.44 A): 2 out of 2 assignments used, quality = 0.65: HG LEU 69 + QD1 ILE 129 OK 53 81 - 65 - 2.1/11062=40...(4) HB2 LEU 53 + QD1 ILE 129 OK 27 100 - 27 - 3.1/10489=7, 1.8/4162=3...(13) Peak 11638 from cnoeabs.peaks (2.11, 0.64, 14.39 ppm; 4.85 A): 2 out of 4 assignments used, quality = 0.76: HB VAL 126 + QD1 ILE 129 OK 72 92 - 78 - 3.7/10400=22...(8) HG3 GLU 91 + QD1 ILE 129 OK 16 100 - 16 - 9912/11062=4, 2885/3.2=2...(7) HB3 GLN 61 - QD1 ILE 129 lone 4 65 - 6 - 9378/11062=1, 7797/10400=1 HB VAL 112 - QD1 ILE 129 lone 4 73 - 5 - 2.1/10489=2 Peak 11639 from cnoeabs.peaks (3.42, 0.64, 14.39 ppm; 3.43 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11640 from cnoeabs.peaks (8.28, 3.77, 62.61 ppm; 4.41 A): 2 out of 5 assignments used, quality = 0.58: H LEU 43 + HB3 SER 130 OK 51 96 - 53 - 4.4/10509=26, 6505/3.0=9...(11) H VAL 126 + HB3 SER 130 OK 15 81 - 19 - 4.0/11643=11, 7792/3.9=3...(4) H GLU 40 - HB3 SER 130 lone 7 98 - 8 - 1383/10509=3 H LEU 96 - HB3 SER 130 lone 5 65 - 8 - 7891/3.9=2, 4.6/11353=2 H SER 99 - HB3 SER 130 lone 2 73 - 3 - Peak 11641 from cnoeabs.peaks (1.34, 3.82, 62.61 ppm; 5.23 A): 1 out of 2 assignments used, quality = 0.59: QB ALA 46 + HB2 SER 130 OK 59 100 - 59 - 10508/1.8=25...(6) QB ALA 21 - HB2 SER 130 lone 3 100 - 3 - 10508/1.8=1 Peak 11642 from cnoeabs.peaks (0.76, 3.82, 62.61 ppm; 3.98 A): 2 out of 4 assignments used, quality = 0.70: QD2 LEU 43 + HB2 SER 130 OK 62 99 - 62 - 10509/1.8=36...(9) HG12 ILE 129 + HB2 SER 130 OK 21 81 - 26 - 11747/3.0=10, 7885/3.9=7...(4) QD2 LEU 96 - HB2 SER 130 poor 9 73 - 12 - 11747/3.0=3, 3091/4.6=3...(5) QG1 VAL 93 - HB2 SER 130 poor 8 81 - 10 - 11330/4.6=3, 7885/3.9=3 Peak 11643 from cnoeabs.peaks (0.97, 3.77, 62.61 ppm; 5.62 A): 0 out of 4 assignments used, low quality = 0.44: QG2 VAL 126 - HB3 SER 130 OK 33 96 - 34 - 10497/3.9=21...(4) QD2 LEU 53 - HB3 SER 130 OK 17 100 - 17 - 10497/3.9=12, 9175/10508=3 QG1 VAL 112 - HB3 SER 130 lone 6 100 - 6 - 10497/3.9=3, 11499/10538=1 QG1 VAL 105 - HB3 SER 130 lone 1 73 - 2 - Peak 11644 from cnoeabs.peaks (8.15, 2.77, 40.87 ppm; 5.29 A): 2 out of 2 assignments used, quality = 0.71: H VAL 133 + HB2 ASP 131 OK 67 73 - 91 - 3.3/7914=40, ~7915=32...(9) H LEU 22 + HB2 ASP 131 OK 13 92 - 14 - 11645/1.8=6, 7906/3.8=3 Peak 11645 from cnoeabs.peaks (8.15, 2.87, 40.87 ppm; 5.85 A): 2 out of 2 assignments used, quality = 0.59: H VAL 133 + HB3 ASP 131 OK 54 57 - 95 - 3.3/7915=47...(8) H LEU 22 + HB3 ASP 131 OK 11 81 - 14 - 11644/1.8=7, 7920/4.7=3 Peak 11646 from cnoeabs.peaks (8.04, 2.87, 40.87 ppm; 5.16 A): 2 out of 6 assignments used, quality = 0.70: H SER 130 + HB3 ASP 131 OK 48 96 - 50 - 4.5/7904=37, 7910/4.7=14 H TYR 76 + HB3 ASP 131 OK 42 96 - 44 - ~9586=20, 3.0/4203=7...(9) H ALA 16 - HB3 ASP 131 poor 7 65 - 10 - 7910/4.7=5, 7898/3.8=4 H CYS 79 - HB3 ASP 131 lone 6 96 - 6 - 11162/3.0=2, 7898/3.8=2 H CYS 125 - HB3 ASP 131 lone 4 96 - 4 - 7898/3.8=2 H LEU 48 - HB3 ASP 131 lone 3 87 - 3 - Peak 11648 from cnoeabs.peaks (8.28, 2.28, 31.51 ppm; 5.16 A): 3 out of 3 assignments used, quality = 0.89: H ASP 131 + HB VAL 132 OK 78 87 - 90 - 3.3/4214=34...(12) H GLU 40 + HB VAL 132 OK 37 96 - 38 - 11651/2.1=14...(6) H LEU 96 + HB VAL 132 OK 24 99 - 25 - 11651/2.1=7, 7912/3.8=6...(5) Peak 11650 from cnoeabs.peaks (7.06, 2.28, 31.51 ppm; 4.42 A): 2 out of 2 assignments used, quality = 0.78: QD PHE 89 + HB VAL 132 OK 62 92 - 67 - 10546/2.1=44, ~9873=12...(8) HE ARG 135 + HB VAL 132 OK 41 65 - 63 - 11868/3.0=21, ~10636=16...(8) Peak 11651 from cnoeabs.peaks (8.28, 1.13, 22.77 ppm; 4.85 A): 3 out of 3 assignments used, quality = 0.94: H ASP 131 + QG1 VAL 132 OK 82 87 - 95 - 3.3/4220=33...(18) H GLU 40 + QG1 VAL 132 OK 55 96 - 58 - 6452/2.1=10, 6452=10...(15) H LEU 96 + QG1 VAL 132 OK 29 99 - 29 - 11648/2.1=6, 7912/4.0=6...(6) Peak 11652 from cnoeabs.peaks (8.02, 1.13, 22.77 ppm; 5.15 A): 0 out of 2 assignments used, low quality = 0.39: H ALA 16 - QG1 VAL 132 OK 39 81 - 48 - 3.0/10669=17...(9) H ALA 52 - QG1 VAL 132 lone 8 92 - 9 - 10963/10531=5 Peak 11653 from cnoeabs.peaks (7.43, 1.13, 22.77 ppm; 4.99 A): 2 out of 2 assignments used, quality = 0.56: HE22 GLN 104 + QG1 VAL 132 OK 34 96 - 36 - 1.7/11654=21...(5) H LEU 62 + QG1 VAL 132 OK 33 99 - 33 - 6793/2.1=12, 6787/2.1=10...(4) Peak 11654 from cnoeabs.peaks (6.96, 1.13, 22.77 ppm; 4.69 A): 2 out of 2 assignments used, quality = 0.50: H ILE 80 + QG1 VAL 132 OK 30 57 - 52 - 5.0/11656=28...(4) HE21 GLN 104 + QG1 VAL 132 OK 29 100 - 29 - 1.7/11653=19...(4) Peak 11655 from cnoeabs.peaks (6.48, 1.13, 22.77 ppm; 5.60 A): 0 out of 1 assignment used, low quality = 0.22: QE TYR 76 - QG1 VAL 132 OK 22 92 - 24 - 9739/10531=9...(7) Peak 11656 from cnoeabs.peaks (0.27, 1.13, 22.77 ppm; 3.54 A): 1 out of 1 assignment used, quality = 0.48: QD1 ILE 80 + QG1 VAL 132 OK 48 98 - 49 - 3.1/10531=18, ~10532=7...(13) Peak 11657 from cnoeabs.peaks (2.40, 1.14, 23.15 ppm; 3.65 A): 0 out of 2 assignments used, low quality = 0.12: HG3 GLU 40 - QG2 VAL 132 OK 12 100 - 12 - ~10534=4, 4.8/6452=4...(4) HG3 GLU 55 - QG2 VAL 132 lone 4 99 - 4 - ~10534=1, 9949/9947=1 Peak 11658 from cnoeabs.peaks (1.44, 1.13, 22.77 ppm; 3.85 A): 0 out of 5 assignments used, low quality = 0.26: QB ALA 92 - QG1 VAL 132 OK 26 87 - 30 - 9947/2.1=10, ~9933=5...(7) HG13 ILE 32 - QG1 VAL 132 lone 8 98 - 8 - 919/4.2=3, 10447/11627=2 HG2 LYS 26 - QG1 VAL 132 lone 7 98 - 7 - 2.9/10533=2, 2.9/10533=2 HG2 LYS 31 - QG1 VAL 132 lone 6 87 - 7 - 2.9/10533=2, 2.9/10533=2 HG3 LYS 19 - QG1 VAL 132 lone 1 73 - 1 - Peak 11659 from cnoeabs.peaks (1.79, 1.13, 22.77 ppm; 4.38 A): 4 out of 5 assignments used, quality = 0.56: HB3 LEU 103 + QG1 VAL 132 OK 31 99 - 31 - 3.1/11721=28, 11431/10539=2 HB2 LYS 86 + QG1 VAL 132 OK 16 96 - 17 - 9822/11656=6...(5) HB3 LEU 122 + QG1 VAL 132 OK 16 98 - 16 - 3.1/10531=6...(4) HB3 LEU 98 + QG1 VAL 132 OK 10 87 - 11 - 3.0/10539=7, 1.8/10533=3 HB3 LEU 123 - QG1 VAL 132 lone 0 28 - 1 - Peak 11660 from cnoeabs.peaks (2.83, 1.13, 22.77 ppm; 4.58 A): 1 out of 1 assignment used, quality = 0.67: HB3 ASN 85 + QG1 VAL 132 OK 67 99 - 67 - 3.6/10545=27...(8) Peak 11661 from cnoeabs.peaks (1.68, 2.28, 31.51 ppm; 5.33 A): 1 out of 1 assignment used, quality = 0.57: HD2 LYS 39 + HB VAL 132 OK 57 98 - 58 - 1197/2.1=12, 1197/2.1=12...(12) Peak 11662 from cnoeabs.peaks (0.84, 2.28, 31.51 ppm; 4.34 A): 2 out of 2 assignments used, quality = 0.72: QG1 VAL 133 + HB VAL 132 OK 67 100 - 67 - 7934/4.7=18...(9) QD2 LEU 22 + HB VAL 132 OK 16 92 - 17 - 7934/4.7=8, 10522/3.8=6 Peak 11663 from cnoeabs.peaks (8.57, 1.14, 23.15 ppm; 4.52 A): 2 out of 2 assignments used, quality = 0.73: H ARG 90 + QG2 VAL 132 OK 48 96 - 50 - 3.6/9873=19, 4.1/9867=16...(8) H GLY 114 + QG2 VAL 132 OK 48 99 - 48 - 10159/2.1=10, 10159=9...(11) Peak 11665 from cnoeabs.peaks (8.28, 0.84, 22.13 ppm; 4.83 A): 3 out of 3 assignments used, quality = 0.91: H LEU 96 + QG1 VAL 133 OK 59 98 - 60 - 5.0/11825=25...(11) H ASP 131 + QG1 VAL 133 OK 56 81 - 70 - 3.3/10522=23...(12) H GLU 40 + QG1 VAL 133 OK 52 98 - 53 - 3.6/10578=27...(12) Peak 11666 from cnoeabs.peaks (7.39, 0.84, 22.13 ppm; 5.04 A): 1 out of 1 assignment used, quality = 0.52: QE PHE 89 + QG1 VAL 133 OK 52 65 - 79 - 2.2/10557=37, ~10554=32...(7) Peak 11667 from cnoeabs.peaks (4.35, 1.04, 23.73 ppm; 5.00 A): 2 out of 4 assignments used, quality = 0.78: HA GLN 134 + QG2 VAL 133 OK 75 87 - 86 - 3.0/7946=41...(10) HA CYS 125 + QG2 VAL 133 OK 15 73 - 20 - 7947/4.4=8, 7973/10632=3...(7) HA PRO 81 - QG2 VAL 133 poor 7 57 - 13 - 3.8/10575=6...(3) HA ASP 47 - QG2 VAL 133 lone 5 96 - 5 - 9100/10587=2 Peak 11668 from cnoeabs.peaks (4.33, 0.84, 22.13 ppm; 5.05 A): 3 out of 5 assignments used, quality = 0.69: HA LEU 69 + QG1 VAL 133 OK 43 99 - 43 - 3.7/11673=31...(5) HA LYS 24 + QG1 VAL 133 OK 30 99 - 31 - 3.0/11672=12...(6) HA ASN 59 + QG1 VAL 133 OK 21 100 - 21 - 9359/11825=15...(3) HA PRO 81 - QG1 VAL 133 lone 7 96 - 7 - 3.8/10574=3, 9100/10585=1 HA ASP 47 - QG1 VAL 133 lone 1 57 - 2 - Peak 11669 from cnoeabs.peaks (2.29, 1.04, 23.73 ppm; 4.28 A): 0 out of 2 assignments used, low quality = 0.14: HG2 GLU 30 - QG2 VAL 133 OK 14 92 - 16 - 11670/2.1=13, 7929/4.0=1 HB3 GLN 101 - QG2 VAL 133 lone 3 73 - 3 - ~3283=3 Peak 11670 from cnoeabs.peaks (2.29, 0.84, 22.13 ppm; 4.39 A): 2 out of 3 assignments used, quality = 0.64: HB VAL 132 + QG1 VAL 133 OK 45 65 - 68 - 11662=19, 4.7/7934=18...(8) HG2 GLU 30 + QG1 VAL 133 OK 34 99 - 35 - 11669/2.1=31...(3) HG2 GLN 61 - QG1 VAL 133 poor 9 73 - 12 - 3.5/9381=5, 3.5/9380=5 Peak 11671 from cnoeabs.peaks (1.76, 1.04, 23.73 ppm; 4.57 A): 1 out of 2 assignments used, quality = 0.68: HB2 LYS 39 + QG2 VAL 133 OK 68 100 - 68 - ~10578=18, 2.9/10567=16...(12) HB2 ARG 23 - QG2 VAL 133 lone 4 87 - 4 - Peak 11672 from cnoeabs.peaks (1.74, 0.84, 22.13 ppm; 4.08 A): 4 out of 6 assignments used, quality = 0.56: HB ILE 80 + QG1 VAL 133 OK 24 92 - 26 - ~10588=17, ~10590=10 HB2 LYS 24 + QG1 VAL 133 OK 22 92 - 24 - 3.0/11668=7, 3.5/10572=5...(5) HB2 LYS 31 + QG1 VAL 133 OK 15 100 - 15 - 4.6/4245=3, 3.5/10572=3...(6) HG13 ILE 129 + QG1 VAL 133 OK 12 99 - 13 - ~11676=8, 4156/11322=4 HB2 LYS 26 - QG1 VAL 133 lone 3 73 - 4 - HB2 LYS 19 - QG1 VAL 133 lone 3 73 - 3 - Peak 11673 from cnoeabs.peaks (1.51, 0.84, 22.13 ppm; 4.61 A): 0 out of 2 assignments used, low quality = 0.25: HG LEU 69 - QG1 VAL 133 OK 25 100 - 25 - 3.7/11668=11...(4) HB2 LEU 53 - QG1 VAL 133 lone 2 73 - 3 - 2172/11668=1 Peak 11674 from cnoeabs.peaks (0.76, 2.19, 31.57 ppm; 4.10 A): 1 out of 1 assignment used, quality = 0.53: QD2 LEU 43 + HB VAL 133 OK 53 81 - 65 - 9128=30, 11090/2.1=29...(5) Peak 11676 from cnoeabs.peaks (0.64, 1.04, 23.73 ppm; 3.47 A): 2 out of 2 assignments used, quality = 0.57: QD1 LEU 42 + QG2 VAL 133 OK 47 65 - 72 - 2.1/10587=37...(9) QD1 ILE 129 + QG2 VAL 133 OK 19 99 - 19 - 10456/10552=6, ~11672=3...(8) Peak 11677 from cnoeabs.peaks (0.70, 0.84, 22.13 ppm; 3.31 A): 0 out of 1 assignment used, low quality = 0.38: QD1 LEU 43 - QG1 VAL 133 OK 38 92 - 41 - ~11090=17, ~11674=14...(4) Peak 11678 from cnoeabs.peaks (0.77, 1.04, 23.73 ppm; 3.11 A): 0 out of 3 assignments used, low quality = 0.39: QD1 LEU 96 - QG2 VAL 133 OK 26 99 - 26 - ~11825=12, 11679/2.1=5...(5) QD1 ILE 32 - QG2 VAL 133 OK 18 81 - 22 - 2.1/10567=12...(5) QD1 ILE 37 - QG2 VAL 133 lone 2 65 - 3 - Peak 11679 from cnoeabs.peaks (0.78, 0.84, 22.13 ppm; 2.77 A): 0 out of 6 assignments used, low quality = 0.28: QD1 LEU 96 - QG1 VAL 133 OK 18 73 - 24 - 2.1/11825=14...(6) QD1 ILE 32 - QG1 VAL 133 OK 12 98 - 12 - ~10567=5, 11678/2.1=3, 927/4.0=2 QG1 VAL 63 - QG1 VAL 133 lone 4 98 - 4 - 11011/2.1=3 QD1 ILE 37 - QG1 VAL 133 lone 2 100 - 2 - QD1 LEU 103 - QG1 VAL 133 lone 1 99 - 1 - QD2 LEU 122 - QG1 VAL 133 lone 1 81 - 1 - Peak 11680 from cnoeabs.peaks (1.14, 0.84, 22.13 ppm; 3.33 A): 3 out of 5 assignments used, quality = 0.81: QG2 VAL 132 + QG1 VAL 133 OK 49 100 - 49 - 2.1/11662=17...(9) HG2 LYS 39 + QG1 VAL 133 OK 39 96 - 41 - 4.0/10578=11, ~11671=10...(9) QG1 VAL 132 + QG1 VAL 133 OK 38 73 - 52 - 2.1/11662=17...(11) HB3 LEU 62 - QG1 VAL 133 lone 8 87 - 9 - 11806/11677=5, 10939/10585=1 QG2 THR 115 - QG1 VAL 133 lone 4 96 - 4 - Peak 11681 from cnoeabs.peaks (6.90, 2.02, 30.54 ppm; 6.80 A): 0 out of 1 assignment used, low quality = 0.11: HD22 ASN 13 - HB2 GLN 134 OK 11 100 - 11 - 5.6/10653=9 Peak 11682 from cnoeabs.peaks (0.75, 4.35, 56.69 ppm; 4.64 A): 3 out of 4 assignments used, quality = 0.84: QD2 LEU 43 + HA GLN 134 OK 71 98 - 73 - 9124/4.1=29...(7) QG1 VAL 93 + HA GLN 134 OK 35 99 - 35 - 11334/3.6=12...(5) HG12 ILE 129 + HA GLN 134 OK 13 99 - 13 - 4.8/7858=4, 1356/11683=2...(6) QD2 LEU 96 - HA GLN 134 lone 6 98 - 6 - 10382/3990=2 Peak 11683 from cnoeabs.peaks (1.72, 4.35, 56.69 ppm; 3.73 A): 0 out of 3 assignments used, low quality = 0.37: HB2 LEU 43 - HA GLN 134 OK 30 96 - 31 - 3.2/11682=12, ~11740=8...(5) HG3 ARG 90 - HA GLN 134 OK 10 65 - 16 - 1.8/4259=4, ~7948=3...(7) HB3 LEU 70 - HA GLN 134 lone 5 65 - 8 - 10607/3.0=3, ~7940=3, ~10607=2 Peak 11684 from cnoeabs.peaks (0.69, 2.65, 35.91 ppm; 4.20 A): 0 out of 2 assignments used, low quality = 0.37: QD1 LEU 43 - HG2 GLN 134 OK 25 65 - 38 - 2.1/10596=22...(4) QD2 LEU 100 - HG2 GLN 134 OK 17 57 - 29 - 11919/3.5=27, 10600/1.8=3 Peak 11685 from cnoeabs.peaks (0.74, 2.08, 35.91 ppm; 4.08 A): 0 out of 1 assignment used, low quality = 0.28: QD2 LEU 103 - HG3 GLN 134 OK 28 96 - 29 - 11718/1.8=19...(3) Peak 11686 from cnoeabs.peaks (7.05, 1.82, 31.04 ppm; 6.47 A): 1 out of 1 assignment used, quality = 0.92: HE ARG 135 + HB3 ARG 135 OK 92 92 - 100 - 5.1=100 Peak 11687 from cnoeabs.peaks (3.52, 2.03, 27.30 ppm; 4.79 A): 1 out of 1 assignment used, quality = 0.93: HA VAL 132 + HG3 ARG 135 OK 93 100 - 93 - 10635/3.0=36...(11) Peak 11688 from cnoeabs.peaks (4.12, 2.03, 27.30 ppm; 4.80 A): 1 out of 4 assignments used, quality = 0.46: HA CYS 45 + HG3 ARG 135 OK 46 100 - 46 - 1433/3.0=11, 1438/2.9=10...(10) HA3 GLY 114 - HG3 ARG 135 lone 5 100 - 5 - 10158/2.9=2, 10164/10534=1 HA ILE 80 - HG3 ARG 135 lone 2 99 - 2 - HA ALA 52 - HG3 ARG 135 lone 1 65 - 1 - Peak 11689 from cnoeabs.peaks (1.14, 1.71, 27.30 ppm; 4.77 A): 3 out of 5 assignments used, quality = 0.99: QG2 VAL 132 + HG2 ARG 135 OK 88 100 - 88 - 3.2/10019=34, ~11687=22...(15) QG1 VAL 132 + HG2 ARG 135 OK 73 81 - 90 - 3.2/10019=34, ~11687=22...(14) HG2 LYS 39 + HG2 ARG 135 OK 72 98 - 74 - 1178=11, 1.8/1189=10...(24) QG2 THR 115 - HG2 ARG 135 lone 4 98 - 4 - HB3 LEU 62 - HG2 ARG 135 lone 2 81 - 2 - Peak 11690 from cnoeabs.peaks (1.11, 2.94, 44.19 ppm; 4.27 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11691 from cnoeabs.peaks (3.25, 0.75, 26.15 ppm; 4.73 A): 2 out of 2 assignments used, quality = 0.85: HA VAL 93 + QD2 LEU 96 OK 83 100 - 83 - 7311/5.1=21, 3074/3.2=16...(20) HB3 HIS 10 + QD2 LEU 96 OK 13 98 - 13 - 3074/3.2=4, 7311/5.1=4 Peak 11692 from cnoeabs.peaks (3.88, 0.75, 26.15 ppm; 4.46 A): 0 out of 6 assignments used, low quality = 0.22: HA LEU 70 - QD2 LEU 96 OK 22 98 - 23 - 11106/3.2=14, ~11113=3...(5) HA LYS 86 - QD2 LEU 96 lone 3 98 - 3 - HB3 SER 50 - QD2 LEU 96 lone 1 96 - 1 - HA2 GLY 114 - QD2 LEU 96 lone 1 99 - 1 - HA2 GLY 2 - QD2 LEU 96 lone 1 65 - 1 - HA3 GLY 2 - QD2 LEU 96 lone 1 65 - 1 - Peak 11693 from cnoeabs.peaks (2.93, 0.75, 26.15 ppm; 5.08 A): 0 out of 4 assignments used, low quality = 0.23: HG CYS 73 - QD2 LEU 96 OK 23 57 - 40 - ~9572=15, ~9986=13...(5) HE3 LYS 39 - QD2 LEU 96 lone 7 100 - 7 - 1236/5.1=2...(3) HE2 LYS 39 - QD2 LEU 96 lone 6 92 - 7 - 11105/11692=2, 1225/5.1=2 HB3 ASN 116 - QD2 LEU 96 lone 1 81 - 2 - Peak 11694 from cnoeabs.peaks (1.66, 0.75, 26.15 ppm; 3.67 A): 5 out of 14 assignments used, quality = 0.59: HD3 LYS 95 + QD2 LEU 96 OK 21 98 - 21 - 3031/5.1=5, 2.9/3093=3...(8) HB2 LEU 69 + QD2 LEU 96 OK 19 81 - 23 - ~11067=15, ~11064=6, ~11061=2 HD2 LYS 31 + QD2 LEU 96 OK 15 100 - 15 - 2.9/3095=4, ~3103=2...(4) HD3 LYS 31 + QD2 LEU 96 OK 15 99 - 15 - 2.9/3095=4, ~3103=2...(4) HD2 LYS 95 + QD2 LEU 96 OK 12 73 - 17 - 2.9/3093=3, 7321/5.1=3...(6) HD2 LYS 24 - QD2 LEU 96 lone 5 100 - 5 - HD3 LYS 24 - QD2 LEU 96 lone 5 99 - 5 - HD2 LYS 26 - QD2 LEU 96 lone 5 99 - 5 - HD3 LYS 26 - QD2 LEU 96 lone 5 96 - 5 - HD2 LYS 36 - QD2 LEU 96 lone 4 73 - 5 - HD3 LYS 36 - QD2 LEU 96 lone 4 73 - 5 - HD2 LYS 86 - QD2 LEU 96 lone 3 98 - 3 - 5.5/11692=1 HD3 LYS 86 - QD2 LEU 96 lone 3 98 - 3 - 5.5/11692=1 QB ALA 88 - QD2 LEU 96 lone 1 100 - 1 - Peak 11695 from cnoeabs.peaks (2.13, 0.75, 26.15 ppm; 4.36 A): 1 out of 2 assignments used, quality = 0.62: HB2 GLU 97 + QD2 LEU 96 OK 62 96 - 65 - 4.0/3098=25...(7) HB2 PRO 56 - QD2 LEU 96 lone 5 99 - 5 - 7345/3098=3, 3142/11849=2 Peak 11697 from cnoeabs.peaks (1.99, 3.84, 62.56 ppm; 5.69 A): 4 out of 7 assignments used, quality = 0.74: HB3 LEU 53 + HB2 SER 50 OK 46 100 - 47 - 1595/3.0=17, ~1594=15...(5) HG2 PRO 81 + HB2 SER 50 OK 33 87 - 38 - 2.3/11896=23...(3) HB2 GLU 55 + HB2 SER 50 OK 15 99 - 15 - ~9286=10, 1595/3.0=3 HB VAL 20 + HB2 SER 50 OK 14 65 - 22 - 1595/3.0=6, ~349=4...(6) HB2 GLU 91 - HB2 SER 50 lone 5 99 - 5 - 11070/11773=3 HB3 PRO 56 - HB2 SER 50 lone 2 73 - 2 - HB ILE 129 - HB2 SER 50 lone 2 57 - 3 - Peak 11698 from cnoeabs.peaks (0.94, 3.84, 62.56 ppm; 3.87 A): 0 out of 2 assignments used, low quality = 0.26: QG2 ILE 37 - HB2 SER 50 OK 26 99 - 26 - 3.0/11699=16, 1095/4.7=5 QD1 LEU 119 - HB2 SER 50 lone 3 96 - 3 - ~9218=1 Peak 11699 from cnoeabs.peaks (0.78, 3.84, 62.56 ppm; 4.08 A): 0 out of 5 assignments used, low quality = 0.44: QD1 ILE 37 - HB2 SER 50 OK 36 98 - 37 - 3.0/11698=28, 1119/4.7=6...(4) QG1 VAL 63 - HB2 SER 50 OK 12 100 - 12 - 11019/3.0=7, ~9217=1 QD1 LEU 103 - HB2 SER 50 lone 6 100 - 6 - 1094/11698=3, 11061/11773=1 QD1 ILE 32 - HB2 SER 50 lone 5 92 - 6 - 11061/11773=2, 1094/11698=2 QD2 LEU 122 - HB2 SER 50 lone 2 92 - 2 - Peak 11700 from cnoeabs.peaks (8.48, 0.80, 26.96 ppm; 5.05 A): 2 out of 2 assignments used, quality = 0.76: H LEU 100 + QD2 LEU 49 OK 73 99 - 73 - 2.9/11384=32...(8) H SER 9 + QD2 LEU 49 OK 13 98 - 13 - 9195/3.9=6, 3220/11384=4...(4) Peak 11702 from cnoeabs.peaks (4.01, 0.81, 25.23 ppm; 3.35 A): 2 out of 6 assignments used, quality = 0.59: HA LEU 103 + QD1 LEU 122 OK 37 81 - 46 - 3.0/3895=9, 4.1/3898=6...(17) HB3 SER 99 + QD1 LEU 122 OK 35 96 - 37 - 11378/2.1=13, ~11379=9...(7) HA LYS 95 - QD1 LEU 122 lone 2 57 - 3 - HB2 SER 38 - QD1 LEU 122 lone 1 92 - 2 - HA ARG 135 - QD1 LEU 122 lone 1 73 - 1 - HA SER 60 - QD1 LEU 122 lone 1 100 - 1 - Peak 11706 from cnoeabs.peaks (2.61, 0.78, 24.12 ppm; 4.66 A): 1 out of 2 assignments used, quality = 0.46: HB2 ASN 59 + QD1 LEU 103 OK 46 65 - 71 - 3.5/11424=32...(5) HB3 CYS 79 - QD1 LEU 103 lone 7 100 - 7 - 11818/11710=5 Peak 11707 from cnoeabs.peaks (2.88, 0.78, 24.12 ppm; 4.76 A): 0 out of 3 assignments used, low quality = 0.41: HB3 ASN 59 - QD1 LEU 103 OK 41 57 - 72 - 1.8/11706=35...(6) HE3 LYS 95 - QD1 LEU 103 lone 5 92 - 6 - 11351/9348=1, 6727/11424=1 HE2 LYS 95 - QD1 LEU 103 lone 5 92 - 6 - 11351/9348=1, 6727/11424=1 Peak 11708 from cnoeabs.peaks (3.37, 0.78, 24.12 ppm; 6.17 A): 1 out of 1 assignment used, quality = 0.93: HA VAL 63 + QD1 LEU 103 OK 93 100 - 93 - 11720/2.1=49, ~11715=35...(18) Peak 11709 from cnoeabs.peaks (0.89, 4.02, 57.03 ppm; 3.75 A): 1 out of 4 assignments used, quality = 0.49: QG1 VAL 118 + HA LEU 103 OK 49 87 - 57 - 11705/3.0=18...(7) QG2 VAL 20 - HA LEU 103 lone 9 99 - 9 - ~10712=3, 11705/3.0=2...(4) QD1 LEU 22 - HA LEU 103 lone 2 100 - 2 - 11705/3.0=1 QD2 LEU 123 - HA LEU 103 lone 2 65 - 3 - Peak 11710 from cnoeabs.peaks (4.30, 0.78, 24.12 ppm; 5.08 A): 0 out of 2 assignments used, low quality = 0.21: HA TYR 76 - QD1 LEU 103 OK 21 73 - 28 - 3.0/9610=8, 3.6/11426=8...(5) HA ASP 131 - QD1 LEU 103 lone 5 96 - 5 - 10350/2.1=3 Peak 11711 from cnoeabs.peaks (7.79, 0.74, 25.24 ppm; 5.94 A): 2 out of 2 assignments used, quality = 0.94: HD22 ASN 59 + QD2 LEU 103 OK 88 98 - 90 - ~11424=43, 1.7/11713=38...(7) H GLY 75 + QD2 LEU 103 OK 47 99 - 47 - 2.9/10350=16...(6) Peak 11712 from cnoeabs.peaks (7.43, 0.74, 25.24 ppm; 6.19 A): 2 out of 3 assignments used, quality = 0.85: HE22 GLN 104 + QD2 LEU 103 OK 68 99 - 69 - 6.4/7491=27...(11) H LEU 62 + QD2 LEU 103 OK 52 96 - 54 - 4.2/11715=40...(7) H GLN 61 - QD2 LEU 103 poor 7 65 - 11 - 6802/11715=3, 9407/11722=2 Peak 11713 from cnoeabs.peaks (6.59, 0.74, 25.24 ppm; 6.33 A): 1 out of 1 assignment used, quality = 0.92: HD21 ASN 59 + QD2 LEU 103 OK 92 99 - 93 - 11428/2.1=46...(10) Peak 11714 from cnoeabs.peaks (8.19, 0.78, 24.12 ppm; 5.07 A): 1 out of 2 assignments used, quality = 0.76: H LEU 122 + QD1 LEU 103 OK 76 87 - 88 - 3.5/3399=16, 3.5/3873=12...(28) H GLN 127 - QD1 LEU 103 lone 5 73 - 7 - Peak 11715 from cnoeabs.peaks (8.21, 0.74, 25.24 ppm; 4.85 A): 0 out of 1 assignment used, low quality = 0.39: H VAL 63 - QD2 LEU 103 OK 39 57 - 69 - 2.9/11720=34, ~11708=17...(9) Peak 11716 from cnoeabs.peaks (2.06, 0.74, 25.24 ppm; 3.86 A): 5 out of 8 assignments used, quality = 0.88: HB VAL 118 + QD2 LEU 103 OK 65 100 - 65 - 11548/2.1=23...(7) HG2 PRO 117 + QD2 LEU 103 OK 28 96 - 30 - ~11423=16, ~11922=6...(6) HB2 LEU 62 + QD2 LEU 103 OK 25 100 - 25 - 4.5/11715=15...(5) HG3 PRO 117 + QD2 LEU 103 OK 24 81 - 30 - ~11423=16, ~11922=6...(5) HG3 PRO 113 + QD2 LEU 103 OK 13 98 - 13 - 10069/2.1=4, 10141/3.1=3...(5) HB2 GLN 127 - QD2 LEU 103 lone 6 100 - 6 - 1.8/11717=1 HG3 PRO 81 - QD2 LEU 103 lone 3 87 - 4 - HB3 GLN 27 - QD2 LEU 103 lone 2 98 - 2 - Peak 11717 from cnoeabs.peaks (2.22, 0.74, 25.24 ppm; 4.74 A): 3 out of 8 assignments used, quality = 0.93: HB3 GLN 104 + QD2 LEU 103 OK 70 100 - 70 - 3.9/7491=30, ~11431=12...(12) HB3 GLU 97 + QD2 LEU 103 OK 68 87 - 78 - 2.9/11850=34...(6) HB3 GLU 102 + QD2 LEU 103 OK 26 81 - 32 - 4.6/7477=23, 7494/7491=3...(6) HB3 GLU 128 - QD2 LEU 103 OK 22 98 - 22 - 11626/2.1=8, 7469/5.0=3...(6) HB3 GLN 127 - QD2 LEU 103 OK 11 96 - 12 - 7469/5.0=2...(3) HB2 GLN 68 - QD2 LEU 103 lone 6 98 - 6 - 3110/11852=1 HG2 GLU 91 - QD2 LEU 103 lone 2 92 - 2 - HG2 GLN 68 - QD2 LEU 103 lone 2 65 - 3 - Peak 11718 from cnoeabs.peaks (2.64, 0.74, 25.24 ppm; 5.48 A): 0 out of 1 assignment used, low quality = 0.32: HG2 GLN 134 - QD2 LEU 103 OK 32 57 - 57 - 1.8/11685=46, 4.9/10593=19 Peak 11719 from cnoeabs.peaks (2.90, 0.74, 25.24 ppm; 6.11 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11720 from cnoeabs.peaks (3.36, 0.74, 25.24 ppm; 4.78 A): 1 out of 1 assignment used, quality = 0.76: HA VAL 63 + QD2 LEU 103 OK 76 99 - 77 - 2.9/11715=33...(12) Peak 11721 from cnoeabs.peaks (1.13, 0.74, 25.24 ppm; 3.83 A): 0 out of 3 assignments used, low quality = 0.29: QG1 VAL 132 - QD2 LEU 103 OK 29 98 - 29 - 4.2/10580=16...(4) HG2 LYS 39 - QD2 LEU 103 lone 5 81 - 6 - ~10069=3, 7930/10580=1 QG2 THR 115 - QD2 LEU 103 lone 2 81 - 2 - Peak 11722 from cnoeabs.peaks (0.91, 0.74, 25.24 ppm; 2.86 A): 3 out of 6 assignments used, quality = 0.66: QG2 VAL 63 + QD2 LEU 103 OK 42 96 - 44 - 3.2/11720=10...(11) QG1 VAL 118 + QD2 LEU 103 OK 34 81 - 42 - 11549/2.1=9, 10261/3.1=8...(8) QD1 LEU 49 + QD2 LEU 103 OK 11 87 - 13 - 2.1/3406=4, ~3398=2...(4) QG1 VAL 20 - QD2 LEU 103 lone 8 100 - 8 - 10712/3.1=3, 10712/3386=1 QD1 LEU 62 - QD2 LEU 103 lone 7 81 - 8 - 3.2/11716=2, 4.6/11712=2 QD2 LEU 48 - QD2 LEU 103 lone 4 99 - 4 - 9205/3.1=1 Peak 11723 from cnoeabs.peaks (4.79, 1.14, 23.15 ppm; 4.38 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11724 from cnoeabs.peaks (4.01, 0.79, 26.18 ppm; 3.26 A): 0 out of 7 assignments used, low quality = 0.37: HA LYS 95 - QD1 LEU 53 OK 37 81 - 46 - 11725/2.1=17, 2.9/1670=6...(16) HB3 SER 99 - QD1 LEU 53 poor 9 81 - 11 - 1.8/11379=3, 3.7/11382=3...(4) HB2 SER 38 - QD1 LEU 53 lone 4 99 - 4 - 10397/11614=2, 11725/2.1=1 HA LEU 103 - QD1 LEU 53 lone 3 96 - 3 - 11725/2.1=1 HA SER 60 - QD1 LEU 53 lone 2 98 - 2 - HA ARG 135 - QD1 LEU 53 lone 2 92 - 2 - 11725/2.1=2 HA ILE 37 - QD1 LEU 53 lone 1 73 - 1 - Peak 11725 from cnoeabs.peaks (4.01, 0.97, 25.20 ppm; 3.92 A): 1 out of 7 assignments used, quality = 0.59: HA LYS 95 + QD2 LEU 53 OK 59 96 - 61 - 11724/2.1=26, 2.9/1678=8...(15) HA ARG 135 - QD2 LEU 53 lone 6 99 - 6 - 5.0/9255=3, 11724/2.1=2 HB3 SER 99 - QD2 LEU 53 poor 6 57 - 10 - 11724/2.1=6, ~11379=3 HA LEU 103 - QD2 LEU 53 lone 4 100 - 4 - 11724/2.1=2 HB2 SER 38 - QD2 LEU 53 lone 4 100 - 4 - 11724/2.1=3 HA SER 60 - QD2 LEU 53 lone 2 87 - 2 - 11724/2.1=2 HA ILE 37 - QD2 LEU 53 lone 2 92 - 2 - Peak 11727 from cnoeabs.peaks (0.91, 4.18, 56.53 ppm; 3.80 A): 3 out of 5 assignments used, quality = 0.65: QD1 LEU 62 + HA LEU 53 OK 40 98 - 41 - 11809/3.0=19...(5) QD1 LEU 49 + HA LEU 53 OK 30 99 - 30 - 2.1/1641=9, 11726/3.0=6...(6) QG1 VAL 20 + HA LEU 53 OK 16 98 - 16 - 2.1/1639=3, 350/3.0=2...(10) QD2 LEU 48 - HA LEU 53 lone 5 99 - 5 - ~11726=3, 9275/9263=1 QG2 VAL 63 - HA LEU 53 lone 4 100 - 4 - 2003/9252=1 Peak 11728 from cnoeabs.peaks (8.04, 0.79, 26.18 ppm; 4.94 A): 4 out of 6 assignments used, quality = 0.72: H CYS 125 + QD1 LEU 53 OK 46 98 - 47 - 10366=14, 3.6/10399=14...(8) H SER 130 + QD1 LEU 53 OK 28 92 - 30 - 10497/2.1=12...(7) H LEU 48 + QD1 LEU 53 OK 17 92 - 19 - 4.0/6607=8, 6590/6621=3...(4) H TYR 76 + QD1 LEU 53 OK 14 98 - 14 - 9610=3, 3.1/1677=2...(6) H CYS 79 - QD1 LEU 53 lone 4 98 - 5 - H ALA 16 - QD1 LEU 53 lone 4 57 - 7 - 3.0/10671=3, 6660/4.3=1 Peak 11730 from cnoeabs.peaks (8.49, 1.79, 41.89 ppm; 4.85 A): 3 out of 6 assignments used, quality = 0.77: H LEU 100 + HB3 LEU 103 OK 52 98 - 53 - 2.9/3230=23, ~3229=13...(9) H LEU 100 + HB3 LEU 122 OK 36 87 - 42 - 10026/3.1=14...(8) H GLU 97 + HB3 LEU 103 OK 26 57 - 45 - 4.0/11364=25, ~11852=20...(6) H SER 9 - HB3 LEU 103 lone 5 99 - 5 - 3220/3230=3 H GLU 97 - HB3 LEU 122 lone 4 47 - 8 - 4.0/11364=3, 11356/11410=1 H SER 9 - HB3 LEU 122 lone 3 89 - 3 - 3220/3230=1 Peak 11731 from cnoeabs.peaks (7.83, 1.71, 26.74 ppm; 4.44 A): 0 out of 2 assignments used, low quality = 0.00: H ALA 92 - HG LEU 98 lone 2 65 - 2 - ~11318=1 H ALA 92 - HG LEU 48 lone 0 35 - 1 - Peak 11738 from cnoeabs.peaks (2.95, 4.35, 56.69 ppm; 4.42 A): 0 out of 3 assignments used, low quality = 0.32: HB2 CYS 45 - HA GLN 134 OK 23 96 - 24 - 10603/4.1=10...(6) HD2 ARG 135 - HA GLN 134 OK 12 73 - 16 - 7985/3.6=10, 10603/4.1=5 HE2 LYS 24 - HA GLN 134 lone 1 65 - 2 - 10603/4.1=1 Peak 11739 from cnoeabs.peaks (0.72, 2.33, 30.54 ppm; 6.27 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11740 from cnoeabs.peaks (0.70, 2.02, 30.54 ppm; 5.42 A): 1 out of 1 assignment used, quality = 0.77: QD1 LEU 43 + HB2 GLN 134 OK 77 100 - 77 - ~9124=32, ~10596=19...(9) Peak 11741 from cnoeabs.peaks (1.49, 1.06, 19.25 ppm; 4.26 A): 0 out of 2 assignments used, low quality = 0.42: HB2 LEU 49 - QG1 VAL 77 OK 42 96 - 44 - 11743/2.1=41, ~9646=5 HG LEU 42 - QG1 VAL 77 lone 1 81 - 1 - Peak 11742 from cnoeabs.peaks (1.42, 1.18, 22.07 ppm; 3.48 A): 1 out of 3 assignments used, quality = 0.56: HG2 LYS 86 + QG2 VAL 77 OK 56 99 - 56 - 9650/2.1=18...(10) QB ALA 92 - QG2 VAL 77 poor 10 81 - 12 - 9650/2.1=5, 9720/9649=2 QB ALA 34 - QG2 VAL 77 lone 9 96 - 10 - 10878/9040=3, 9650/2.1=2...(4) Peak 11743 from cnoeabs.peaks (1.50, 1.18, 22.07 ppm; 3.70 A): 0 out of 1 assignment used, low quality = 0.29: HB2 LEU 49 - QG2 VAL 77 OK 29 100 - 29 - 11741/2.1=26, ~9646=4 Peak 11744 from cnoeabs.peaks (1.04, 3.78, 62.15 ppm; 4.92 A): 1 out of 1 assignment used, quality = 0.78: QG2 VAL 133 + HA SER 130 OK 78 100 - 78 - 2.1/4174=30...(13) Peak 11745 from cnoeabs.peaks (0.93, 3.78, 62.15 ppm; 5.06 A): 0 out of 3 assignments used, low quality = 0.34: QG2 ILE 37 - HA SER 130 OK 34 99 - 35 - 10512/3.6=23...(6) QD1 LEU 123 - HA SER 130 lone 6 87 - 6 - 10512/3.6=5 QD1 LEU 119 - HA SER 130 lone 3 73 - 4 - 11611/4038=2 Peak 11746 from cnoeabs.peaks (0.82, 3.78, 62.15 ppm; 4.26 A): 4 out of 4 assignments used, quality = 0.95: QG2 ILE 129 + HA SER 130 OK 73 96 - 76 - 9731=24, 4143/2.9=18...(17) QD1 LEU 70 + HA SER 130 OK 55 100 - 55 - 11101=24, 10513/3.6=18...(7) QG2 ILE 80 + HA SER 130 OK 37 96 - 39 - 3.1/9726=18, 10513/3.6=8...(9) HG13 ILE 80 + HA SER 130 OK 30 87 - 35 - 2.1/9726=21, 7884/2.9=8...(8) Peak 11747 from cnoeabs.peaks (0.75, 3.78, 62.15 ppm; 3.76 A): 4 out of 4 assignments used, quality = 0.92: QD2 LEU 43 + HA SER 130 OK 72 99 - 73 - 1384=17, 10509/3.0=16...(16) HG12 ILE 129 + HA SER 130 OK 58 98 - 59 - 3.2/9731=13, ~7887=9...(12) QG1 VAL 93 + HA SER 130 OK 17 98 - 18 - 11330/3.6=5, 7885/2.9=4...(5) QD2 LEU 96 + HA SER 130 OK 15 96 - 16 - 3091/3.6=5, 7885/2.9=3...(5) Peak 11752 from cnoeabs.peaks (3.33, 1.18, 22.07 ppm; 4.94 A): 1 out of 2 assignments used, quality = 0.78: HB3 PHE 89 + QG2 VAL 77 OK 78 100 - 78 - 2.7/9677=36...(7) HB3 TYR 72 - QG2 VAL 77 lone 5 73 - 7 - 9513/11743=3...(3) Peak 11753 from cnoeabs.peaks (8.55, 1.06, 19.25 ppm; 6.56 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11754 from cnoeabs.peaks (8.57, 1.18, 22.07 ppm; 4.69 A): 2 out of 2 assignments used, quality = 0.62: H ARG 90 + QG2 VAL 77 OK 56 81 - 70 - 4.6/11303=23...(8) H GLY 114 + QG2 VAL 77 OK 14 92 - 15 - 2.9/11157=4...(5) Peak 11756 from cnoeabs.peaks (4.67, 3.80, 63.71 ppm; 5.18 A): 0 out of 2 assignments used, low quality = 0.00: HA PRO 56 - HB2 SER 9 lone 1 87 - 1 - HA PRO 56 - HB3 SER 9 lone 1 85 - 1 - Peak 11758 from cnoeabs.peaks (8.42, 2.47, 31.70 ppm; 4.86 A): 1 out of 1 assignment used, quality = 0.91: H MET 11 + HG2 MET 11 OK 91 92 - 99 - 4.9=97, 6067/2.9=34...(4) Peak 11759 from cnoeabs.peaks (1.37, 2.81, 38.79 ppm; 5.44 A): 2 out of 7 assignments used, quality = 0.60: HG2 LYS 19 + HB2 ASN 13 OK 55 87 - 64 - 10655/3.5=24...(5) HG2 LYS 24 + HB2 ASN 13 OK 10 65 - 15 - 10656/1.8=6, 10654/3.0=5 HB2 LEU 42 - HB2 ASN 13 lone 4 73 - 6 - 10656/1.8=2, 10654/3.0=2 HB2 LEU 96 - HB2 ASN 13 lone 4 57 - 7 - 10656/1.8=3, 10654/3.0=2 HB3 LEU 100 - HB2 ASN 13 lone 4 65 - 6 - 10656/1.8=2, 10654/3.0=2 HG2 LYS 36 - HB2 ASN 13 lone 3 57 - 6 - 10656/1.8=3, 10654/3.0=2 QB ALA 29 - HB2 ASN 13 lone 3 57 - 5 - 10656/1.8=2, 10654/3.0=1 Peak 11763 from cnoeabs.peaks (1.17, 4.27, 56.54 ppm; 4.20 A): 2 out of 6 assignments used, quality = 0.77: QG2 THR 18 + HA LYS 19 OK 73 99 - 73 - 6147/3.0=27, ~6146=20...(8) QG2 THR 18 + HA LYS 26 OK 14 80 - 18 - 10749/3.0=9, 4.3/6148=6, ~6247=1 QG2 VAL 77 - HA LYS 19 poor 10 73 - 14 - 9678/3.6=11 QG2 VAL 77 - HA LYS 26 poor 9 53 - 16 - 10749/3.0=12, 6248/2.9=1 QB ALA 41 - HA LYS 19 lone 6 98 - 6 - 6147/3.0=2, 10716/3.6=2 QB ALA 41 - HA LYS 26 lone 3 78 - 4 - 10749/3.0=3 Peak 11764 from cnoeabs.peaks (0.90, 4.27, 56.54 ppm; 4.31 A): 3 out of 10 assignments used, quality = 0.49: QG1 VAL 20 + HA LYS 19 OK 32 87 - 37 - 348/3.6=28, 10698/3.0=12 QG2 VAL 63 + HA LYS 19 OK 17 65 - 26 - ~11016=14, 10698/3.0=6...(4) QG1 VAL 20 + HA LYS 26 OK 10 65 - 16 - 10714/4.0=11, 4.0/6160=4 QG1 VAL 118 - HA LYS 26 lone 7 80 - 8 - 10260/3.0=4, 10262/4.0=3 QG1 VAL 118 - HA LYS 19 lone 6 99 - 6 - 6171/3.6=2, 10260/3.0=2 QD2 LEU 48 - HA LYS 19 lone 5 81 - 6 - 10698/3.0=3, 6171/3.6=2 QD1 LEU 22 - HA LYS 19 lone 2 81 - 3 - 6172/3.6=2 QD1 LEU 22 - HA LYS 26 lone 1 59 - 2 - QG2 VAL 63 - HA LYS 26 lone 1 47 - 3 - QD2 LEU 48 - HA LYS 26 lone 1 59 - 1 - Peak 11770 from cnoeabs.peaks (2.97, 4.27, 56.54 ppm; 4.48 A): 10 out of 22 assignments used, quality = 1.00: HE3 LYS 19 + HA LYS 19 OK 90 99 - 91 - 6.4=35, 3.8/241=25...(40) HE3 LYS 26 + HA LYS 26 OK 68 81 - 83 - 6.6=31, 3.6/627=15...(43) HE2 LYS 26 + HA LYS 26 OK 68 81 - 83 - 6.6=31, 3.6/627=15...(43) HE2 LYS 19 + HA LYS 19 OK 67 73 - 91 - 6.4=35, 3.8/241=25...(45) HE3 LYS 26 + HA LYS 19 OK 56 100 - 57 - 3.6/627=9, 3.6/638=6...(19) HE2 LYS 26 + HA LYS 19 OK 56 100 - 57 - 3.6/627=9, 3.6/638=6...(19) HE3 LYS 31 + HA LYS 19 OK 48 100 - 48 - 3.7/242=5, 329/4.2=4...(12) HE3 LYS 31 + HA LYS 26 OK 48 81 - 59 - 635/4.0=5, 3.7/242=4...(33) HE2 LYS 31 + HA LYS 19 OK 46 99 - 47 - 3.7/242=5, 329/4.2=4...(14) HE2 LYS 31 + HA LYS 26 OK 45 80 - 57 - 635/4.0=4, 3.7/242=4...(32) HE3 LYS 19 - HA LYS 26 OK 45 80 - 56 - 3.8/241=11, 2.9/304=6...(28) HE3 LYS 24 - HA LYS 19 OK 44 92 - 48 - 4.0/242=5, 329/4.2=4...(19) HE3 LYS 24 - HA LYS 26 OK 36 70 - 52 - 4.0/282=5, 4.0/638=4...(26) HE2 LYS 19 - HA LYS 26 OK 29 53 - 55 - 3.8/241=11, 2.9/304=6...(22) HE3 LYS 36 - HA LYS 19 OK 24 92 - 26 - 329/4.2=2, 1.8/315=1...(5) HE3 LYS 36 - HA LYS 26 OK 17 70 - 24 - 4.0/1007=2, 4.0/1018=2...(8) HE2 LYS 36 - HA LYS 19 OK 16 65 - 25 - 318/4.2=2, 1.8/315=1...(4) HE2 LYS 36 - HA LYS 26 OK 11 47 - 23 - 4.0/1007=2, 4.0/1018=2...(5) HE3 LYS 86 - HA LYS 19 lone 5 81 - 6 - HE3 LYS 86 - HA LYS 26 lone 2 59 - 4 - HB3 ASN 121 - HA LYS 19 lone 1 73 - 2 - HB3 ASN 121 - HA LYS 26 lone 1 53 - 1 - Peak 11771 from cnoeabs.peaks (0.92, 4.29, 52.41 ppm; 3.31 A): 0 out of 15 assignments used, low quality = 0.12: QD1 LEU 48 - HA ALA 21 OK 12 99 - 12 - 1535/3.0=3, ~6178=3...(6) QG2 VAL 112 - HA ALA 15 poor 7 28 - 24 - 11493=10, 10667/3.6=8 QD1 LEU 49 - HA ALA 21 lone 6 65 - 9 - ~1572=2, 1580/3.0=2...(5) QG2 VAL 112 - HA ALA 21 lone 3 99 - 3 - 11493=2 QD1 LEU 123 - HA ALA 21 lone 1 87 - 2 - ~6179=1 QG2 VAL 112 - HA ALA 12 lone 1 55 - 2 - 11493=1 QD1 LEU 62 - HA ALA 21 lone 0 73 - 1 - QD1 LEU 48 - HA ALA 12 lone 0 55 - 1 - QD1 LEU 48 - HA ALA 15 lone 0 28 - 1 - QD1 LEU 49 - HA ALA 12 lone 0 30 - 1 - QD1 LEU 123 - HA ALA 15 lone 0 22 - 1 - QD1 LEU 62 - HA ALA 12 lone 0 34 - 1 - QD1 LEU 62 - HA ALA 15 lone 0 17 - 1 - QD1 LEU 49 - HA ALA 15 lone 0 15 - 1 - QD1 LEU 123 - HA ALA 12 lone 0 43 - 0 - Peak 11772 from cnoeabs.peaks (4.00, 0.93, 23.65 ppm; 3.23 A): 3 out of 5 assignments used, quality = 0.63: HB2 SER 124 + QD1 LEU 123 OK 42 100 - 42 - 4.0/3959=13...(6) HA VAL 20 + QD1 LEU 123 OK 26 87 - 30 - 10707/3.2=5, 10708/2.1=5...(12) HA SER 50 + QD1 LEU 123 OK 14 100 - 14 - 10349/2.1=5, ~6620=2...(4) HA GLN 68 - QD1 LEU 123 lone 3 98 - 3 - HB3 SER 99 - QD1 LEU 123 lone 2 65 - 3 - 10349/2.1=2 Peak 11773 from cnoeabs.peaks (0.87, 3.84, 62.56 ppm; 4.71 A): 0 out of 2 assignments used, low quality = 0.25: QD2 LEU 69 - HB2 SER 50 OK 25 92 - 27 - 11076/1.8=11, ~11075=6...(5) QD2 LEU 98 - HB2 SER 50 lone 1 99 - 1 - Peak 11774 from cnoeabs.peaks (0.94, 4.42, 61.58 ppm; 4.93 A): 2 out of 2 assignments used, quality = 0.63: QD1 LEU 119 + HA THR 54 OK 42 98 - 43 - 10282/3.6=8, 3797/3.0=8...(13) QG2 ILE 37 + HA THR 54 OK 36 98 - 37 - ~9272=21, ~9278=11, 9279/3.6=5 Peak 11775 from cnoeabs.peaks (1.19, 3.07, 41.80 ppm; 4.14 A): 0 out of 2 assignments used, low quality = 0.28: QG2 VAL 77 - HE2 LYS 86 OK 28 65 - 43 - 4.0/11790=14...(7) QG2 THR 25 - HE2 LYS 86 lone 4 98 - 4 - 9823/4.9=3 Peak 11776 from cnoeabs.peaks (1.05, 3.07, 41.80 ppm; 4.58 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11777 from cnoeabs.peaks (0.82, 3.07, 41.80 ppm; 4.94 A): 4 out of 4 assignments used, quality = 0.76: HG13 ILE 80 + HE2 LYS 86 OK 38 96 - 40 - 11282/4.9=10...(7) QG2 ILE 129 + HE2 LYS 86 OK 35 99 - 35 - 10481/3.7=11...(5) QG2 ILE 80 + HE2 LYS 86 OK 28 87 - 33 - 11175/3.0=8, 11175/3.0=8...(6) QD1 LEU 70 + HE2 LYS 86 OK 16 100 - 16 - 11282/4.9=4, 2261/6.0=3...(6) Peak 11778 from cnoeabs.peaks (1.74, 3.89, 60.84 ppm; 4.77 A): 3 out of 6 assignments used, quality = 0.82: HB ILE 80 + HA LYS 86 OK 72 87 - 83 - 3.2/9820=33, 2.1/9819=26...(11) HG13 ILE 129 + HA LYS 86 OK 25 100 - 25 - ~9753=11, ~9813=6...(5) HB2 LYS 31 + HA LYS 86 OK 12 100 - 12 - 3.5/2617=2, 3.5/2617=2...(4) HB2 LYS 19 - HA LYS 86 poor 10 81 - 12 - 3.9/2610=4, ~270=2, ~259=1 HB2 LYS 24 - HA LYS 86 lone 9 96 - 10 - 3.5/2617=2, 3.5/2617=2 HB2 LYS 26 - HA LYS 86 lone 4 81 - 4 - 3.5/2617=1, 3.5/2617=1 Peak 11779 from cnoeabs.peaks (1.08, 3.89, 60.84 ppm; 6.80 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11780 from cnoeabs.peaks (1.66, 4.38, 55.75 ppm; 4.88 A): 0 out of 15 assignments used, low quality = 0.27: HD3 LYS 86 - HA ASP 78 OK 15 99 - 15 - ~9694=11, 11285/11158=3 HD2 LYS 86 - HA ASP 78 OK 15 99 - 15 - ~9694=11, 11285/11158=3 HD2 LYS 31 - HA ASP 78 lone 2 100 - 2 - HB2 LEU 69 - HA ASP 78 lone 2 73 - 2 - 10569/9695=1 HD2 LYS 24 - HA ASP 78 lone 2 100 - 2 - QB ALA 88 - HA ASP 78 lone 1 100 - 1 - HD3 LYS 36 - HA ASP 78 lone 1 65 - 2 - HD2 LYS 36 - HA ASP 78 lone 1 65 - 2 - HD3 LYS 31 - HA ASP 78 lone 1 100 - 1 - HB2 LEU 98 - HA ASP 78 lone 1 65 - 2 - HD2 LYS 26 - HA ASP 78 lone 1 100 - 1 - HD3 LYS 24 - HA ASP 78 lone 1 100 - 1 - HD3 LYS 26 - HA ASP 78 lone 1 98 - 1 - HD3 LYS 95 - HA ASP 78 lone 1 99 - 1 - HD2 LYS 95 - HA ASP 78 lone 1 81 - 1 - Peak 11790 from cnoeabs.peaks (7.55, 3.07, 41.80 ppm; 5.24 A): 0 out of 4 assignments used, low quality = 0.32: H VAL 77 - HE2 LYS 86 OK 32 96 - 34 - 4.0/11775=32, 9636/11777=1 H GLN 82 - HE2 LYS 86 lone 3 65 - 5 - 9742/11777=1 H THR 54 - HE2 LYS 86 lone 3 98 - 3 - H LEU 119 - HE2 LYS 86 lone 2 96 - 2 - Peak 11791 from cnoeabs.peaks (7.48, 3.07, 41.80 ppm; 5.54 A): 0 out of 3 assignments used, low quality = 0.00: H LEU 42 - HE2 LYS 86 lone 4 100 - 4 - 6492/6.9=2 H GLN 134 - HE2 LYS 86 lone 2 100 - 2 - HE22 GLN 127 - HE2 LYS 86 lone 1 73 - 2 - Peak 11792 from cnoeabs.peaks (1.60, 0.60, 25.62 ppm; 4.47 A): 2 out of 2 assignments used, quality = 0.46: HG LEU 122 + QD1 LEU 100 OK 31 98 - 32 - 11926/2.1=11, ~11387=8...(4) HB2 LEU 122 + QD1 LEU 100 OK 22 81 - 27 - ~11926=9, 3.1/11388=7...(4) Peak 11793 from cnoeabs.peaks (1.59, 0.68, 23.19 ppm; 3.26 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11794 from cnoeabs.peaks (4.45, 1.39, 19.38 ppm; 5.22 A): 0 out of 3 assignments used, low quality = 0.26: HA ASP 64 - QB ALA 109 OK 14 57 - 25 - 2.9/9409=15, ~6819=4...(4) HA SER 106 - QB ALA 109 OK 14 57 - 24 - 3.0/10094=10...(5) HA PRO 58 - QB ALA 109 lone 4 87 - 4 - 3.6/9349=2 Peak 11796 from cnoeabs.peaks (1.82, 3.52, 66.53 ppm; 5.07 A): 1 out of 11 assignments used, quality = 0.93: HB3 ARG 135 + HA VAL 132 OK 93 100 - 93 - 2.9/11687=36...(10) HB VAL 93 - HA VAL 132 OK 25 65 - 38 - 3.0/10530=37 HB ILE 32 - HA VAL 132 OK 17 100 - 17 - 895/3.6=4, ~11658=4...(7) HB3 LYS 31 - HA VAL 132 poor 9 81 - 10 - ~11658=3, 4.6/4212=2, 820/3.6=1 HB3 LYS 26 - HA VAL 132 lone 8 100 - 8 - ~11658=3 HB2 LEU 100 - HA VAL 132 lone 6 98 - 6 - 7982/10624=1 HB2 LYS 36 - HA VAL 132 lone 5 99 - 5 - HB3 LYS 24 - HA VAL 132 lone 4 92 - 5 - HB3 ARG 23 - HA VAL 132 lone 4 96 - 4 - HB3 LYS 19 - HA VAL 132 lone 3 81 - 4 - HB3 LEU 123 - HA VAL 132 lone 2 73 - 2 - Peak 11797 from cnoeabs.peaks (1.90, 3.52, 66.53 ppm; 5.34 A): 2 out of 6 assignments used, quality = 0.97: HB2 ARG 135 + HA VAL 132 OK 94 100 - 94 - 2.9/11687=39...(10) HB2 GLU 40 + HA VAL 132 OK 51 99 - 51 - ~11657=19, 1.8/10526=12...(10) HB2 PRO 113 - HA VAL 132 OK 23 65 - 35 - 1.8/4209=8, ~4228=5...(10) HB3 ARG 84 - HA VAL 132 OK 21 98 - 21 - 11872/11868=4...(7) HB3 LEU 48 - HA VAL 132 OK 10 81 - 12 - 4338/11687=2...(6) HB3 LEU 123 - HA VAL 132 lone 2 71 - 2 - Peak 11798 from cnoeabs.peaks (1.13, 2.19, 31.57 ppm; 4.64 A): 3 out of 4 assignments used, quality = 0.95: QG1 VAL 132 + HB VAL 133 OK 71 98 - 72 - 4.2/7933=27, ~11662=22...(10) QG2 VAL 132 + HB VAL 133 OK 64 92 - 70 - 4.4/7933=26, ~11662=22...(8) HG2 LYS 39 + HB VAL 133 OK 51 100 - 51 - ~11671=21, ~10567=14...(7) QG2 THR 115 - HB VAL 133 lone 7 100 - 7 - 10195/11674=3, 11680/2.1=1 Peak 11799 from cnoeabs.peaks (1.14, 3.77, 65.08 ppm; 4.20 A): 3 out of 5 assignments used, quality = 0.94: QG2 VAL 132 + HA VAL 133 OK 78 100 - 78 - 4231/3.0=20, ~11662=14...(15) QG1 VAL 132 + HA VAL 133 OK 57 73 - 78 - 7930/3.0=14, ~11662=14...(16) HG2 LYS 39 + HA VAL 133 OK 38 96 - 40 - ~11671=12, 11680/3.2=10...(7) HB3 LEU 62 - HA VAL 133 lone 8 87 - 9 - ~10582=3, 11680/3.2=2 QG2 THR 115 - HA VAL 133 lone 4 96 - 4 - 11680/3.2=1 Peak 11800 from cnoeabs.peaks (7.41, 0.63, 27.44 ppm; 4.35 A): 0 out of 1 assignment used, low quality = 0.22: QE PHE 89 - QD1 LEU 42 OK 22 65 - 34 - 2.2/9110=16...(5) Peak 11801 from cnoeabs.peaks (7.42, 0.56, 24.08 ppm; 4.60 A): 0 out of 2 assignments used, low quality = 0.00: HE22 GLN 104 - QD2 LEU 42 lone 5 57 - 9 - 4.5/9087=6, 10076/3.1=2 H GLN 61 - QD2 LEU 42 lone 3 98 - 3 - Peak 11802 from cnoeabs.peaks (8.15, 0.56, 24.08 ppm; 5.69 A): 4 out of 5 assignments used, quality = 0.93: H VAL 133 + QD2 LEU 42 OK 86 99 - 86 - 4.0/10587=46...(10) H LEU 22 + QD2 LEU 42 OK 30 100 - 30 - 4.0/1334=8, 6191/10585=6...(9) H ASP 71 + QD2 LEU 42 OK 18 57 - 32 - ~9524=18, 11632/10486=5...(6) H ALA 15 + QD2 LEU 42 OK 16 92 - 17 - 4.6/9105=4, 2.9/1333=2...(7) H ILE 32 - QD2 LEU 42 poor 8 81 - 10 - 4251/10587=3...(3) Peak 11803 from cnoeabs.peaks (6.81, 3.48, 59.85 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.57: QE TYR 72 + HA LEU 42 OK 57 100 - 57 - 9146/1445=17...(6) Peak 11804 from cnoeabs.peaks (3.84, 0.70, 25.73 ppm; 4.34 A): 3 out of 6 assignments used, quality = 0.95: HA LEU 62 + QD1 LEU 43 OK 79 98 - 81 - 3.0/11806=20...(15) HA GLU 40 + QD1 LEU 43 OK 67 100 - 67 - 1245/3.2=28, 1246/3.2=21...(10) HA LEU 123 + QD1 LEU 43 OK 28 92 - 31 - 11805/2.1=6, 3916/4.5=5...(13) HD2 PRO 81 - QD1 LEU 43 lone 6 65 - 9 - ~9127=2, 11805/2.1=2 HB2 SER 50 - QD1 LEU 43 lone 5 92 - 5 - 1358/3.2=1 HB3 SER 33 - QD1 LEU 43 lone 2 65 - 3 - Peak 11805 from cnoeabs.peaks (3.85, 0.75, 22.33 ppm; 3.42 A): 3 out of 6 assignments used, quality = 0.73: HA LEU 62 + QD2 LEU 43 OK 51 96 - 54 - 3.0/11089=14...(14) HA GLU 40 + QD2 LEU 43 OK 27 73 - 37 - 1245/3.2=10, 1246/3.2=7...(10) HA LEU 123 + QD2 LEU 43 OK 23 99 - 23 - 4.9/11588=7, 3916/4.4=3...(6) HD2 PRO 81 - QD2 LEU 43 lone 9 99 - 9 - 3.6/11087=3, 2.3/9127=3 HD2 PRO 117 - QD2 LEU 43 lone 2 57 - 4 - 4.8/9123=1 HB3 SER 33 - QD2 LEU 43 lone 1 99 - 1 - Peak 11806 from cnoeabs.peaks (1.14, 0.70, 25.73 ppm; 3.97 A): 2 out of 5 assignments used, quality = 0.72: HB3 LEU 62 + QD1 LEU 43 OK 63 87 - 72 - 10995/2.1=21...(16) HG2 LYS 39 + QD1 LEU 43 OK 24 96 - 25 - 4.0/9120=13, ~11089=8...(4) QG2 VAL 132 - QD1 LEU 43 lone 8 100 - 8 - 11680/11677=5 QG2 THR 115 - QD1 LEU 43 lone 6 96 - 6 - 10195/2.1=5 QG1 VAL 132 - QD1 LEU 43 lone 5 73 - 7 - 11680/11677=4 Peak 11807 from cnoeabs.peaks (1.02, 0.70, 25.73 ppm; 4.31 A): 0 out of 2 assignments used, low quality = 0.19: QG2 VAL 118 - QD1 LEU 43 OK 19 81 - 24 - 2.1/9125=10, 11534/4.5=6...(4) QD1 LEU 69 - QD1 LEU 43 lone 2 73 - 2 - Peak 11809 from cnoeabs.peaks (1.51, 0.91, 26.02 ppm; 4.32 A): 0 out of 2 assignments used, low quality = 0.27: HB2 LEU 53 - QD1 LEU 62 OK 27 65 - 42 - 3.0/11727=15, ~9252=11...(5) HG LEU 69 - QD1 LEU 62 lone 7 99 - 7 - 3.7/9388=3 Peak 11810 from cnoeabs.peaks (7.91, 0.78, 21.57 ppm; 4.45 A): 0 out of 2 assignments used, low quality = 0.00: H THR 115 - QG1 VAL 63 poor 8 57 - 14 - 4.6/9408=12 HD22 ASN 116 - QG1 VAL 63 lone 2 99 - 2 - Peak 11811 from cnoeabs.peaks (7.90, 0.91, 22.96 ppm; 4.31 A): 2 out of 3 assignments used, quality = 0.53: H GLN 104 + QG2 VAL 63 OK 38 87 - 44 - 3.9/11010=11...(9) H SER 106 + QG2 VAL 63 OK 25 96 - 27 - 4.0/11854=13...(8) H THR 115 - QG2 VAL 63 lone 8 99 - 8 - 11810/2.1=5, 4.0/11012=1 Peak 11812 from cnoeabs.peaks (8.31, 3.97, 66.53 ppm; 5.38 A): 3 out of 5 assignments used, quality = 0.82: H LEU 49 + HA THR 65 OK 64 87 - 74 - 9445/3.2=31, ~9200=25...(9) H LEU 69 + HA THR 65 OK 42 57 - 74 - 4.4/2066=35, 4.0/2064=28...(8) H ALA 21 + HA THR 65 OK 15 100 - 15 - 9445/3.2=6, 4.3/9418=2...(4) H GLY 111 - HA THR 65 lone 4 87 - 5 - 9445/3.2=2 H ALA 110 - HA THR 65 lone 4 73 - 5 - Peak 11813 from cnoeabs.peaks (4.13, 1.23, 22.77 ppm; 3.68 A): 2 out of 4 assignments used, quality = 0.63: HA ALA 52 + QG2 THR 65 OK 56 98 - 57 - 2.1/9440=35, 3.6/9250=18...(4) HA CYS 45 + QG2 THR 65 OK 15 81 - 19 - 9155=7, 9153/9443=5...(5) HA ILE 80 - QG2 THR 65 lone 6 96 - 6 - 1633/9440=1 HA3 GLY 114 - QG2 THR 65 lone 3 92 - 4 - Peak 11814 from cnoeabs.peaks (1.13, 4.55, 60.48 ppm; 4.86 A): 0 out of 4 assignments used, low quality = 0.00: QG1 VAL 132 - HA TYR 72 lone 1 98 - 1 - QG2 VAL 132 - HA TYR 72 lone 1 92 - 1 - HG2 LYS 39 - HA TYR 72 lone 1 100 - 1 - QG2 THR 115 - HA TYR 72 lone 1 100 - 1 - Peak 11815 from cnoeabs.peaks (0.94, 4.55, 60.48 ppm; 4.86 A): 1 out of 3 assignments used, quality = 0.52: QG2 ILE 37 + HA TYR 72 OK 52 100 - 52 - 9021/5.2=21, 9022/3.4=20...(4) QD1 LEU 123 - HA TYR 72 lone 2 65 - 3 - 1107/9017=1 QD1 LEU 119 - HA TYR 72 lone 2 92 - 2 - Peak 11816 from cnoeabs.peaks (7.32, 2.75, 27.55 ppm; 6.80 A): 0 out of 2 assignments used, low quality = 0.36: QD PHE 87 - HB2 CYS 73 OK 22 98 - 22 - 9923/9573=13...(3) H ARG 135 - HB2 CYS 73 OK 19 73 - 25 - 11334/9961=8, 9538/3.0=5...(6) Peak 11817 from cnoeabs.peaks (4.30, 1.84, 27.19 ppm; 6.53 A): 2 out of 2 assignments used, quality = 0.66: HA TYR 76 + HB2 CYS 79 OK 62 87 - 71 - 11818/1.8=33...(6) HA ASP 131 + HB2 CYS 79 OK 12 99 - 12 - 11818/1.8=9 Peak 11818 from cnoeabs.peaks (4.30, 2.61, 27.19 ppm; 6.35 A): 0 out of 2 assignments used, low quality = 0.35: HA TYR 76 - HB3 CYS 79 OK 35 65 - 54 - 11817/1.8=32...(6) HA ASP 131 - HB3 CYS 79 lone 9 92 - 9 - 11817/1.8=7 Peak 11819 from cnoeabs.peaks (2.10, 4.20, 54.89 ppm; 4.49 A): 1 out of 4 assignments used, quality = 0.60: HG3 GLU 91 + HA ALA 88 OK 60 96 - 63 - 3.0/2749=25, 3.0/2860=23...(6) HB VAL 126 - HA ALA 88 lone 10 100 - 10 - 2874/2749=3, 2866/2860=2...(4) HB3 GLN 61 - HA ALA 88 lone 2 96 - 2 - HB2 GLN 61 - HA ALA 88 lone 1 81 - 1 - Peak 11820 from cnoeabs.peaks (2.21, 4.20, 54.89 ppm; 5.85 A): 2 out of 4 assignments used, quality = 0.66: HB2 GLN 101 + HA ALA 88 OK 47 81 - 58 - ~11293=22, ~3304=11...(9) HB2 GLN 68 + HA ALA 88 OK 36 87 - 41 - ~2141=10, 2131/2.9=9...(6) HB3 GLN 104 - HA ALA 88 lone 5 65 - 8 - 3433/4.9=5 HB3 GLU 97 - HA ALA 88 lone 2 98 - 2 - Peak 11821 from cnoeabs.peaks (0.76, 1.43, 18.02 ppm; 3.88 A): 4 out of 4 assignments used, quality = 0.89: HG12 ILE 129 + QB ALA 92 OK 59 81 - 74 - 2.1/10491=24...(10) QG1 VAL 93 + QB ALA 92 OK 57 81 - 70 - 2.1/9945=27, 3.9/7267=19...(12) QD2 LEU 96 + QB ALA 92 OK 23 73 - 31 - 7271/3.7=5, 3092/2.1=4...(12) QD2 LEU 43 + QB ALA 92 OK 22 99 - 23 - 2.1/11318=7, ~9941=7...(4) Peak 11822 from cnoeabs.peaks (0.87, 0.29, 23.10 ppm; 4.58 A): 0 out of 2 assignments used, low quality = 0.16: QD2 LEU 69 - QG2 VAL 93 OK 16 96 - 16 - 11062/10487=13, 9979/9981=1 QD2 LEU 98 - QG2 VAL 93 lone 3 98 - 3 - 9979/9981=1 Peak 11823 from cnoeabs.peaks (0.86, 2.23, 41.04 ppm; 5.32 A): 2 out of 4 assignments used, quality = 0.97: QD2 LEU 70 + HB3 LEU 96 OK 92 100 - 92 - 2.1/11110=42, 9496=39...(9) QG2 ILE 32 + HB3 LEU 96 OK 63 99 - 63 - 11824/1.8=16...(14) QD1 LEU 98 - HB3 LEU 96 OK 14 87 - 16 - 11355/3.8=9...(3) QG2 VAL 57 - HB3 LEU 96 lone 3 87 - 4 - 11355/3.8=1 Peak 11824 from cnoeabs.peaks (0.85, 1.38, 41.04 ppm; 4.70 A): 2 out of 4 assignments used, quality = 0.92: QD2 LEU 70 + HB2 LEU 96 OK 84 98 - 85 - 9496/1.8=38, ~11110=37...(9) QG2 ILE 32 + HB2 LEU 96 OK 54 100 - 54 - 11823/1.8=11...(13) QD1 LEU 98 - HB2 LEU 96 poor 8 65 - 12 - 11355/3.8=7, 11823/1.8=2 QG2 VAL 57 - HB2 LEU 96 lone 2 65 - 3 - Peak 11825 from cnoeabs.peaks (0.84, 1.40, 27.00 ppm; 4.08 A): 1 out of 2 assignments used, quality = 0.56: QG1 VAL 133 + HG LEU 96 OK 56 100 - 56 - 11679/2.1=23, ~11678=16...(11) QD2 LEU 22 - HG LEU 96 lone 3 92 - 3 - Peak 11826 from cnoeabs.peaks (0.62, 1.40, 27.00 ppm; 4.59 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11827 from cnoeabs.peaks (3.20, 1.40, 27.00 ppm; 5.12 A): 1 out of 4 assignments used, quality = 0.73: HB3 CYS 125 + HG LEU 96 OK 73 96 - 76 - 10385=40, 10387/2.1=36...(6) HD3 ARG 84 - HG LEU 96 lone 1 96 - 1 - HD2 ARG 84 - HG LEU 96 lone 1 96 - 1 - HB3 HIS 8 - HG LEU 96 lone 1 65 - 2 - Peak 11828 from cnoeabs.peaks (2.76, 0.79, 26.05 ppm; 4.81 A): 0 out of 3 assignments used, low quality = 0.00: HB2 TYR 76 - QD2 LEU 122 lone 7 96 - 8 - 3.8/9610=7 HB3 ASN 13 - QD2 LEU 122 lone 1 73 - 1 - HB2 ASP 131 - QD2 LEU 122 lone 1 65 - 1 - Peak 11829 from cnoeabs.peaks (1.36, 0.95, 21.50 ppm; 4.50 A): 0 out of 2 assignments used, low quality = 0.12: HG2 LYS 19 - QG1 VAL 57 OK 12 73 - 17 - 3.0/9311=6, 3.0/9311=6...(4) QB ALA 12 - QG1 VAL 57 lone 1 98 - 1 - Peak 11830 from cnoeabs.peaks (6.81, 2.23, 33.86 ppm; 3.91 A): 1 out of 1 assignment used, quality = 0.55: QE TYR 72 + HG2 GLN 68 OK 55 99 - 55 - 11737/3.5=28...(3) Peak 11832 from cnoeabs.peaks (1.65, 4.29, 61.82 ppm; 4.73 A): 4 out of 16 assignments used, quality = 0.94: HD3 LYS 24 + HA THR 25 OK 56 92 - 61 - ~522=12, ~533=10...(12) HD2 LYS 24 + HA THR 25 OK 53 87 - 61 - ~522=12, ~533=10...(12) HD3 LYS 26 + HA THR 25 OK 45 98 - 46 - 5.7/6246=16, ~6234=7...(9) HD2 LYS 26 + HA THR 25 OK 42 92 - 46 - 5.7/6246=16, ~6234=7...(9) HD3 LYS 31 - HA THR 25 OK 26 92 - 29 - ~6235=4, 6254/3.6=4...(11) HD2 LYS 31 - HA THR 25 OK 25 87 - 29 - ~6235=4, 6254/3.6=4...(11) HD2 LYS 19 - HA THR 25 OK 12 87 - 13 - ~533=6, ~6235=5, 6255/3.6=2 HD3 LYS 19 - HA THR 25 OK 12 87 - 13 - ~533=6, ~6235=5, 6255/3.6=2 HB2 LEU 98 - HA THR 25 OK 11 98 - 11 - 1.8/11128=9 HD3 LYS 86 - HA THR 25 lone 7 96 - 8 - ~11775=2, 11153/11154=2 HD2 LYS 86 - HA THR 25 lone 7 96 - 8 - ~11775=2, 11153/11154=2 QB ALA 88 - HA THR 25 lone 7 87 - 8 - 2.1/580=2, 2752/3.0=1, ~6241=1 HD2 LYS 95 - HA THR 25 lone 3 100 - 3 - HD3 LYS 95 - HA THR 25 lone 3 96 - 3 - HB2 LEU 123 - HA THR 25 lone 2 92 - 2 - HG LEU 62 - HA THR 25 lone 1 81 - 1 - Peak 11844 from cnoeabs.peaks (0.87, 3.17, 43.40 ppm; 4.11 A): 0 out of 8 assignments used, low quality = 0.21: QD1 LEU 98 - HD3 ARG 90 OK 12 92 - 13 - 11843/2.9=7, ~11843=6 QD1 LEU 98 - HD2 ARG 90 OK 11 84 - 13 - 11843/2.9=7, ~11843=6 QD2 LEU 98 - HD3 ARG 90 poor 9 65 - 13 - 11843/2.9=8, ~11843=5 QD2 LEU 98 - HD2 ARG 90 poor 8 58 - 13 - 11843/2.9=8, ~11843=5 QD2 LEU 69 - HD3 ARG 90 lone 6 99 - 6 - 11843/2.9=5 QD2 LEU 69 - HD2 ARG 90 lone 5 94 - 6 - 11843/2.9=5 QG2 VAL 57 - HD3 ARG 90 lone 2 92 - 2 - 11843/2.9=1 QG2 VAL 57 - HD2 ARG 90 lone 2 84 - 2 - 11843/2.9=1 Peak 11845 from cnoeabs.peaks (1.17, 2.02, 28.15 ppm; 3.91 A): 0 out of 3 assignments used, low quality = 0.39: HG12 ILE 32 - HG2 ARG 90 OK 25 81 - 31 - 9898/3.8=8, ~10845=7...(7) QB ALA 41 - HG2 ARG 90 OK 19 100 - 19 - 9898/3.8=5, 2.1/1280=4...(5) QG2 THR 18 - HG2 ARG 90 lone 3 99 - 3 - 9898/3.8=2 Peak 11846 from cnoeabs.peaks (1.05, 2.02, 28.15 ppm; 5.18 A): 0 out of 1 assignment used, low quality = 0.23: QG2 VAL 133 - HG2 ARG 90 OK 23 65 - 36 - 11306/1.8=26, 4.4/7948=5...(5) Peak 11849 from cnoeabs.peaks (0.76, 2.42, 35.12 ppm; 3.85 A): 2 out of 4 assignments used, quality = 0.51: QD2 LEU 96 + HG3 GLU 97 OK 40 81 - 49 - 11695/2.9=15...(5) QG1 VAL 93 + HG3 GLU 97 OK 19 87 - 22 - 9972=12, 7342/4.6=4 HG12 ILE 129 - HG3 GLU 97 lone 5 87 - 6 - 7342/4.6=2, 4.8/7867=2 QD2 LEU 43 - HG3 GLU 97 lone 2 100 - 2 - Peak 11850 from cnoeabs.peaks (0.74, 2.27, 35.12 ppm; 4.51 A): 1 out of 1 assignment used, quality = 0.60: QD2 LEU 103 + HG2 GLU 97 OK 60 98 - 62 - 11852/3.8=28...(6) Peak 11851 from cnoeabs.peaks (0.74, 2.14, 28.66 ppm; 5.23 A): 1 out of 1 assignment used, quality = 0.76: QD2 LEU 103 + HB2 GLU 97 OK 76 98 - 78 - 11850/2.9=40...(5) Peak 11852 from cnoeabs.peaks (0.74, 3.76, 59.92 ppm; 4.47 A): 1 out of 1 assignment used, quality = 0.60: QD2 LEU 103 + HA GLU 97 OK 60 98 - 61 - 11850/3.8=27...(8) Peak 11853 from cnoeabs.peaks (0.91, 3.96, 63.62 ppm; 4.05 A): 0 out of 5 assignments used, low quality = 0.32: QG2 VAL 63 - HB3 SER 107 OK 18 99 - 19 - 2.1/10106=7, 4.4/11022=4...(4) QD1 LEU 62 - HB3 SER 107 OK 17 100 - 17 - 3.2/11470=7, 3.2/11473=5 QD1 LEU 49 - HB3 SER 107 lone 5 100 - 5 - 11484/4.7=2 QG1 VAL 20 - HB3 SER 107 lone 2 92 - 2 - QD2 LEU 48 - HB3 SER 107 lone 2 96 - 2 - Peak 11854 from cnoeabs.peaks (0.91, 3.98, 63.90 ppm; 4.11 A): 0 out of 5 assignments used, low quality = 0.32: QG2 VAL 63 - HB3 SER 106 OK 23 100 - 23 - 2.1/10096=11...(3) QG1 VAL 20 - HB3 SER 106 OK 12 99 - 12 - ~11467=9, 10698/10699=2 QD2 LEU 48 - HB3 SER 106 lone 4 100 - 4 - 3.8/1493=1 QD1 LEU 62 - HB3 SER 106 lone 3 96 - 4 - QD1 LEU 49 - HB3 SER 106 lone 3 98 - 3 - Peak 11861 from cnoeabs.peaks (7.25, 3.20, 43.15 ppm; 3.10 A): 2 out of 4 assignments used, quality = 1.00: HE ARG 84 + HD3 ARG 84 OK 96 96 - 100 - 2.9=100 HE ARG 84 + HD2 ARG 84 OK 96 96 - 100 - 2.9=100 HD21 ASN 85 - HD3 ARG 84 OK 18 99 - 19 - 11279/4.0=6, 5.3/2577=3...(6) HD21 ASN 85 - HD2 ARG 84 OK 18 99 - 19 - 11279/4.0=6, 5.3/2577=3...(6) Peak 11862 from cnoeabs.peaks (7.25, 1.64, 26.79 ppm; 4.34 A): 4 out of 4 assignments used, quality = 0.98: HE ARG 84 + HG3 ARG 84 OK 73 73 - 100 - 3.6=100 HE ARG 84 + HG2 ARG 84 OK 73 73 - 100 - 3.6=100 HD21 ASN 85 + HG3 ARG 84 OK 45 99 - 46 - 11279/3.0=17...(7) HD21 ASN 85 + HG2 ARG 84 OK 45 99 - 46 - 11279/3.0=17...(7) Peak 11863 from cnoeabs.peaks (7.25, 1.90, 29.31 ppm; 4.32 A): 2 out of 2 assignments used, quality = 0.84: HE ARG 84 + HB3 ARG 84 OK 68 73 - 93 - 5.1=62, 2.9/2548=18...(17) HD21 ASN 85 + HB3 ARG 84 OK 50 99 - 51 - 11279=23, 5.3/2550=12...(9) Peak 11878 from cnoeabs.peaks (7.19, 3.17, 43.21 ppm; 3.75 A): 2 out of 2 assignments used, quality = 1.00: HE ARG 23 + HD3 ARG 23 OK 100 100 - 100 - 2.9=100 * HE ARG 23 + HD2 ARG 23 OK 100 100 - 100 - 2.9=100 Peak 11885 from cnoeabs.peaks (7.27, 3.23, 44.19 ppm; 4.56 A): 2 out of 3 assignments used, quality = 0.61: QE PHE 87 + HD3 ARG 135 OK 39 87 - 45 - 2.2/4352=13...(9) H ASN 85 + HD3 ARG 135 OK 36 96 - 38 - 3.6/2532=9, 7104/3.7=6...(8) HD2 HIS 10 - HD3 ARG 135 lone 2 100 - 2 - Peak 11887 from cnoeabs.peaks (2.25, 2.00, 27.30 ppm; 3.30 A): 1 out of 2 assignments used, quality = 1.00: * HB2 PRO 81 + HG2 PRO 81 OK 100 100 - 100 - 2.3=100 HB VAL 105 - HG2 PRO 81 lone 3 57 - 5 - Peak 11888 from cnoeabs.peaks (2.25, 1.95, 32.59 ppm; 2.83 A): 1 out of 2 assignments used, quality = 0.99: * HB2 PRO 81 + HB3 PRO 81 OK 99 99 - 100 - 1.8=100 HB VAL 105 - HB3 PRO 81 lone 2 56 - 3 - Peak 11889 from cnoeabs.peaks (2.25, 2.25, 32.59 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 81 + HB2 PRO 81 OK 100 100 - 100 Peak 11890 from cnoeabs.peaks (1.95, 2.25, 32.59 ppm; 2.82 A): 2 out of 5 assignments used, quality = 0.77: HB3 PRO 81 + HB2 PRO 81 OK 73 73 - 100 - 1.8=100 HB2 PRO 58 + HB2 PRO 81 OK 12 96 - 13 - 11264/5.0=2, 11260/4.1=2...(7) HB3 ARG 90 - HB2 PRO 81 lone 3 99 - 3 - HB3 LYS 86 - HB2 PRO 81 lone 2 99 - 2 - HB2 GLU 30 - HB2 PRO 81 lone 0 98 - 0 - Peak 11891 from cnoeabs.peaks (2.01, 2.25, 32.59 ppm; 3.08 A): 2 out of 6 assignments used, quality = 0.71: HB3 PRO 117 + HB2 PRO 81 OK 56 100 - 56 - 3708/3.0=6, 3707/2.3=6...(32) HB ILE 129 + HB2 PRO 81 OK 34 87 - 39 - ~11894=7, 2.1/9714=5...(17) HG3 PRO 56 - HB2 PRO 81 lone 6 100 - 6 - HG2 PRO 56 - HB2 PRO 81 lone 6 100 - 6 - HB3 PRO 56 - HB2 PRO 81 lone 4 73 - 5 - HB VAL 20 - HB2 PRO 81 lone 2 81 - 2 - Peak 11892 from cnoeabs.peaks (1.94, 1.95, 32.59 ppm; diagonal): 1 out of 1 assignment used, quality = 0.85: HB3 PRO 81 + HB3 PRO 81 OK 85 85 - 100 Peak 11893 from cnoeabs.peaks (1.99, 1.95, 32.59 ppm; 2.58 A): 1 out of 7 assignments used, quality = 0.94: HG2 PRO 81 + HB3 PRO 81 OK 94 94 - 100 - 2.3=100 HB ILE 129 - HB3 PRO 81 OK 26 71 - 37 - 2.1/11894=7, ~9714=5...(17) HB3 LEU 53 - HB3 PRO 81 OK 23 99 - 24 - ~11900=4, ~11907=4...(10) HB3 PRO 56 - HB3 PRO 81 lone 5 85 - 5 - HB2 GLU 91 - HB3 PRO 81 lone 3 99 - 3 - HB2 GLU 55 - HB3 PRO 81 lone 2 94 - 2 - HB VAL 20 - HB3 PRO 81 lone 2 79 - 2 - Peak 11894 from cnoeabs.peaks (0.83, 1.95, 32.59 ppm; 4.27 A): 2 out of 3 assignments used, quality = 0.82: QG2 ILE 129 + HB3 PRO 81 OK 69 90 - 77 - 9714/1.8=22...(18) HG13 ILE 80 + HB3 PRO 81 OK 40 97 - 42 - ~11178=10, 11261/4.1=10...(7) QD1 LEU 70 - HB3 PRO 81 lone 6 71 - 8 - 11261/4.1=2, 11909/2.3=2 Peak 11895 from cnoeabs.peaks (0.82, 2.25, 32.59 ppm; 5.96 A): 3 out of 4 assignments used, quality = 0.99: QG2 ILE 129 + HB2 PRO 81 OK 92 100 - 92 - 11894/1.8=27...(21) HG13 ILE 80 + HB2 PRO 81 OK 67 100 - 67 - ~11178=20, 11261/4.1=17...(9) QG2 ILE 80 + HB2 PRO 81 OK 55 65 - 83 - ~2481=31, ~2478=22...(12) QD1 LEU 70 - HB2 PRO 81 OK 17 96 - 17 - 11261/4.1=4, 11909/2.3=4...(5) Peak 11896 from cnoeabs.peaks (3.84, 2.25, 32.59 ppm; 4.39 A): 0 out of 4 assignments used, low quality = 0.38: HB2 SER 50 - HB2 PRO 81 OK 22 100 - 23 - 1596/2.3=9, 11697/2.3=6...(4) HA LEU 62 - HB2 PRO 81 OK 20 73 - 28 - ~6780=4, ~1980=4...(12) HA LEU 123 - HB2 PRO 81 lone 2 57 - 3 - HA GLU 40 - HB2 PRO 81 lone 1 96 - 1 - Peak 11897 from cnoeabs.peaks (3.86, 1.95, 32.59 ppm; 3.91 A): 2 out of 3 assignments used, quality = 0.94: HD2 PRO 81 + HB3 PRO 81 OK 79 79 - 100 - 3.0=100 HD2 PRO 117 + HB3 PRO 81 OK 73 99 - 73 - ~11891=11, 3675/2.3=8...(29) HB3 SER 33 - HB3 PRO 81 lone 2 79 - 2 - Peak 11898 from cnoeabs.peaks (4.04, 1.95, 32.59 ppm; 3.68 A): 1 out of 4 assignments used, quality = 0.98: HD3 PRO 81 + HB3 PRO 81 OK 98 98 - 100 - 3.0=100 HA LEU 96 - HB3 PRO 81 OK 17 85 - 19 - 2493/2.3=5, 11899/1.8=4...(7) HB3 SER 124 - HB3 PRO 81 OK 13 85 - 15 - 11899/1.8=3, 2493/2.3=3...(6) HA LEU 119 - HB3 PRO 81 OK 10 56 - 18 - ~11190=5, ~11914=4...(7) Peak 11899 from cnoeabs.peaks (4.04, 2.25, 32.59 ppm; 4.28 A): 1 out of 4 assignments used, quality = 0.99: HD3 PRO 81 + HB2 PRO 81 OK 99 99 - 100 - 3.0=100 HA LEU 96 - HB2 PRO 81 OK 22 87 - 25 - 2493/2.3=6, 11898/1.8=5...(9) HB3 SER 124 - HB2 PRO 81 OK 17 87 - 19 - 11898/1.8=4, 2493/2.3=4...(8) HA LEU 119 - HB2 PRO 81 OK 15 57 - 25 - ~11190=7, ~11914=6...(8) Peak 11900 from cnoeabs.peaks (4.17, 2.25, 32.59 ppm; 4.71 A): 2 out of 2 assignments used, quality = 0.51: HA LEU 53 + HB2 PRO 81 OK 45 92 - 49 - 1639/2.3=8, 3.6/11904=8...(14) HB THR 83 + HB2 PRO 81 OK 12 92 - 13 - 9765/5.0=12 Peak 11901 from cnoeabs.peaks (4.33, 2.25, 32.59 ppm; 3.22 A): 1 out of 5 assignments used, quality = 0.98: HA PRO 81 + HB2 PRO 81 OK 98 98 - 100 - 2.3=100 HA ASN 59 - HB2 PRO 81 OK 10 100 - 10 - 11902/1.8=3, 1880/2.3=3...(6) HA ASP 47 - HB2 PRO 81 lone 3 65 - 4 - 1469/11896=1 HA LEU 69 - HB2 PRO 81 lone 3 98 - 3 - HA LYS 24 - HB2 PRO 81 lone 1 100 - 1 - Peak 11902 from cnoeabs.peaks (4.33, 1.95, 32.59 ppm; 3.31 A): 1 out of 5 assignments used, quality = 0.97: HA PRO 81 + HB3 PRO 81 OK 97 97 - 100 - 2.3=100 HA ASN 59 - HB3 PRO 81 OK 11 99 - 11 - 11901/1.8=3, 1880/2.3=3...(6) HA LEU 69 - HB3 PRO 81 lone 3 97 - 3 - HA ASP 47 - HB3 PRO 81 lone 3 64 - 4 - HA LYS 24 - HB3 PRO 81 lone 1 99 - 1 - Peak 11904 from cnoeabs.peaks (7.55, 2.25, 32.59 ppm; 4.89 A): 2 out of 5 assignments used, quality = 0.99: H GLN 82 + HB2 PRO 81 OK 98 98 - 100 - 4.1=100 H THR 54 + HB2 PRO 81 OK 53 98 - 54 - 3.6/11900=25...(6) H LEU 119 - HB2 PRO 81 OK 14 57 - 25 - 11914/2.3=7, 11189/3.0=6...(6) H VAL 77 - HB2 PRO 81 poor 8 57 - 14 - 11189/3.0=5, 11914/2.3=4...(4) HE22 GLN 61 - HB2 PRO 81 lone 2 81 - 3 - 11906/1.8=1 Peak 11905 from cnoeabs.peaks (7.60, 2.25, 32.59 ppm; 5.12 A): 0 out of 2 assignments used, low quality = 0.00: HD21 ASN 120 - HB2 PRO 81 lone 7 100 - 7 - 11463/10091=6 HD21 ASN 13 - HB2 PRO 81 lone 5 87 - 6 - 11463/10091=5 Peak 11906 from cnoeabs.peaks (7.56, 1.95, 32.59 ppm; 4.27 A): 1 out of 3 assignments used, quality = 0.99: H GLN 82 + HB3 PRO 81 OK 99 99 - 100 - 4.1=100 H THR 54 - HB3 PRO 81 OK 32 85 - 37 - 11904/1.8=9, 11913/2.3=8...(10) HE22 GLN 61 - HB3 PRO 81 lone 3 94 - 3 - 9369/9240=1 Peak 11907 from cnoeabs.peaks (1.93, 4.33, 64.74 ppm; 3.51 A): 0 out of 4 assignments used, low quality = 0.14: HG LEU 53 - HA PRO 81 OK 14 85 - 16 - 3.0/11910=4, 1665/3.8=3...(7) HB2 LYS 95 - HA PRO 81 lone 3 79 - 3 - HG2 PRO 113 - HA PRO 81 lone 1 98 - 1 - HB2 MET 11 - HA PRO 81 lone 0 79 - 0 - Reference assignment not found: HB3 PRO 81 - HA PRO 81 Peak 11908 from cnoeabs.peaks (4.34, 4.34, 64.74 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PRO 81 + HA PRO 81 OK 100 100 - 100 Peak 11909 from cnoeabs.peaks (0.82, 4.34, 64.74 ppm; 5.15 A): 3 out of 3 assignments used, quality = 0.93: QG2 ILE 129 + HA PRO 81 OK 80 96 - 83 - 9714/2.3=33...(11) HG13 ILE 80 + HA PRO 81 OK 58 99 - 58 - 2441/4.9=16...(8) QD1 LEU 70 + HA PRO 81 OK 13 81 - 16 - 2441/4.9=4, 11261/3.6=4...(5) Peak 11910 from cnoeabs.peaks (2.00, 4.33, 64.74 ppm; 3.54 A): 3 out of 9 assignments used, quality = 0.95: HG2 PRO 81 + HA PRO 81 OK 83 98 - 84 - 3.8=78, 1.8/11911=17...(4) HB ILE 129 + HA PRO 81 OK 53 98 - 54 - ~9714=11, ~11894=9...(12) HB3 LEU 53 + HA PRO 81 OK 35 79 - 45 - 3.0/11907=21, ~11900=9...(12) HB3 PRO 117 - HA PRO 81 OK 22 71 - 32 - 11891/2.3=10...(7) HB3 PRO 56 - HA PRO 81 lone 8 99 - 7 - 2486/3.6=1, 2482/3.6=1, ~11891=1 HG2 PRO 56 - HA PRO 81 lone 5 79 - 6 - ~11891=1, 11891/2.3=1 HG3 PRO 56 - HA PRO 81 lone 5 79 - 6 - ~11891=1, 11891/2.3=1 HB VAL 20 - HA PRO 81 lone 3 99 - 3 - HB2 GLU 91 - HA PRO 81 lone 3 85 - 4 - Peak 11911 from cnoeabs.peaks (2.05, 4.33, 64.74 ppm; 3.75 A): 3 out of 5 assignments used, quality = 0.83: HG3 PRO 81 + HA PRO 81 OK 70 75 - 94 - 3.8=92, 1.8/11910=14 HG3 PRO 117 + HA PRO 81 OK 29 79 - 36 - ~11891=11, ~11897=8...(6) HG2 PRO 117 + HA PRO 81 OK 22 64 - 35 - ~11891=11, ~11897=8...(6) HB3 GLU 55 - HA PRO 81 lone 1 75 - 2 - QE MET 11 - HA PRO 81 lone 1 70 - 1 - Peak 11912 from cnoeabs.peaks (4.05, 4.34, 64.74 ppm; 4.87 A): 0 out of 4 assignments used, low quality = 0.00: HA ALA 92 - HA PRO 81 lone 7 92 - 8 - 2896/2.3=6 HA GLU 44 - HA PRO 81 lone 4 96 - 4 - HA GLU 102 - HA PRO 81 lone 3 99 - 3 - 3331/2.3=2 HA LEU 122 - HA PRO 81 lone 2 98 - 2 - Peak 11913 from cnoeabs.peaks (7.55, 4.34, 64.74 ppm; 4.16 A): 1 out of 5 assignments used, quality = 0.96: H GLN 82 + HA PRO 81 OK 96 96 - 100 - 3.6=100 H THR 54 - HA PRO 81 OK 36 99 - 36 - 11904/2.3=8, 11914/3.8=7...(8) H LEU 119 - HA PRO 81 OK 11 65 - 16 - 11914/3.8=5, 11189/3.6=4...(6) H VAL 77 - HA PRO 81 lone 6 65 - 10 - 11189/3.6=3, 11914/3.8=3...(4) HE22 GLN 61 - HA PRO 81 lone 2 73 - 3 - 5.9/6749=2 Peak 11914 from cnoeabs.peaks (7.54, 2.00, 27.30 ppm; 4.38 A): 3 out of 4 assignments used, quality = 0.66: H THR 54 + HG2 PRO 81 OK 44 92 - 48 - 6678=9, 11189/2.3=7...(12) H LEU 119 + HG2 PRO 81 OK 27 99 - 28 - 11190/2.3=10, 7648/1.8=7...(7) H VAL 77 + HG2 PRO 81 OK 18 99 - 18 - 11190/2.3=9, 11189/2.3=4 HE22 GLN 27 - HG2 PRO 81 lone 2 57 - 4 - 11190/2.3=2 Peak 11915 from cnoeabs.peaks (2.25, 4.33, 64.74 ppm; 3.25 A): 1 out of 1 assignment used, quality = 0.85: HB2 PRO 81 + HA PRO 81 OK 85 85 - 100 - 2.3=100 Peak 11916 from cnoeabs.peaks (1.78, 1.01, 22.19 ppm; 4.28 A): 0 out of 3 assignments used, low quality = 0.17: HG LEU 100 - QG2 VAL 118 OK 17 92 - 19 - 3.0/10264=5, ~10260=5...(4) HB2 LEU 48 - QG2 VAL 118 lone 8 100 - 8 - 1500/2.1=2, 3.1/3751=1, ~1509=1 HB3 LEU 98 - QG2 VAL 118 lone 5 98 - 5 - 4.6/11534=2 Peak 11922 from cnoeabs.peaks (3.95, 0.78, 24.12 ppm; 6.80 A): 2 out of 4 assignments used, quality = 0.70: HD3 PRO 117 + QD1 LEU 103 OK 63 99 - 64 - ~11423=44, 11923/2.1=23...(6) HB3 SER 107 + QD1 LEU 103 OK 18 57 - 31 - 4.7/11486=12, 7463/4.8=5...(9) HB2 SER 51 - QD1 LEU 103 lone 6 73 - 9 - 11923/2.1=3, 11022/6825=2 HA3 GLY 111 - QD1 LEU 103 lone 5 92 - 5 - 11923/2.1=2 Peak 11923 from cnoeabs.peaks (3.95, 0.74, 25.24 ppm; 6.80 A): 2 out of 4 assignments used, quality = 0.68: HD3 PRO 117 + QD2 LEU 103 OK 57 87 - 66 - ~11423=44, 11922/2.1=26...(4) HD3 PRO 113 + QD2 LEU 103 OK 25 65 - 38 - ~10069=20, ~10141=8...(5) HB2 SER 51 - QD2 LEU 103 lone 8 96 - 8 - 11922/2.1=3, 10961/11722=1 HA3 GLY 111 - QD2 LEU 103 lone 5 100 - 5 - 11922/2.1=2 Peak 11925 from cnoeabs.peaks (2.05, 0.81, 25.23 ppm; 6.80 A): 0 out of 8 assignments used, low quality = 0.40: HB VAL 118 - QD1 LEU 122 OK 25 73 - 35 - ~11549=10, ~11547=9...(6) HB2 LEU 62 - QD1 LEU 122 OK 11 73 - 15 - ~11926=6, 3.9/10993=5...(4) HG3 PRO 81 - QD1 LEU 122 OK 10 98 - 10 - 2.3/11186=3, 2.3/11185=3 HG3 PRO 117 - QD1 LEU 122 lone 7 99 - 7 - 10298/7667=2 HG2 PRO 117 - QD1 LEU 122 lone 6 92 - 6 - 10298/7667=1 HB3 GLU 55 - QD1 LEU 122 lone 3 81 - 4 - HB2 GLN 127 - QD1 LEU 122 lone 3 73 - 4 - QE MET 11 - QD1 LEU 122 lone 3 73 - 3 - Peak 11926 from cnoeabs.peaks (0.68, 1.60, 27.00 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.64: QD2 LEU 100 + HG LEU 122 OK 58 99 - 58 - 2.1/11792=28, ~11792=17...(5) QD2 LEU 62 + HG LEU 122 OK 15 100 - 15 - ~11925=5, 3270/11792=3...(4) Peak 11927 from cnoeabs.peaks (3.46, 1.13, 22.77 ppm; 6.80 A): 1 out of 1 assignment used, quality = 0.93: HA ILE 129 + QG1 VAL 132 OK 93 98 - 94 - 4213/2.1=48, 7909/4.0=46...(11) Peak 11928 from cnoeabs.peaks (3.45, 1.14, 23.15 ppm; 6.80 A): 0 out of 1 assignment used, low quality = 0.16: HA VAL 77 - QG2 VAL 132 OK 16 96 - 17 - 9684/9873=7...(3) Peak 11929 from cnoeabs.peaks (8.07, 3.77, 65.08 ppm; 6.80 A): 0 out of 2 assignments used, low quality = 0.00: H VAL 20 - HA VAL 133 lone 3 96 - 3 - H ASN 120 - HA VAL 133 lone 2 57 - 3 - Peak 11930 from cnoeabs.peaks (8.05, 2.19, 31.57 ppm; 6.80 A): 1 out of 4 assignments used, quality = 0.56: H TYR 76 + HB VAL 133 OK 56 92 - 61 - ~11134=35, ~9593=35...(4) H CYS 125 - HB VAL 133 lone 8 92 - 9 - ~11667=6 H CYS 79 - HB VAL 133 lone 4 92 - 5 - 10562/2.1=1 H LEU 48 - HB VAL 133 lone 4 98 - 4 - Peak 11931 from cnoeabs.peaks (1.15, 0.27, 13.24 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.72: QG2 VAL 132 + QD1 ILE 80 OK 63 73 - 86 - 2.1/11656=48, ~10531=30...(11) HB3 LEU 62 + QD1 ILE 80 OK 25 99 - 25 - 11932/3.1=11...(6) Peak 11932 from cnoeabs.peaks (1.15, 0.81, 17.22 ppm; 6.80 A): 2 out of 2 assignments used, quality = 0.74: QG2 VAL 132 + QG2 ILE 80 OK 64 73 - 87 - ~11656=45, 2.1/10531=28...(9) HB3 LEU 62 + QG2 ILE 80 OK 28 99 - 28 - 11931/3.1=10, 1982/4.0=8...(7) Peak 11933 from cnoeabs.peaks (1.16, 1.74, 38.49 ppm; 6.80 A): 0 out of 4 assignments used, low quality = 0.12: HG12 ILE 32 - HB ILE 80 OK 12 100 - 12 - 10477/4122=2...(4) HG3 LYS 39 - HB ILE 80 lone 5 87 - 6 - 10477/4122=2, 9894/7220=1 QG2 THR 18 - HB ILE 80 lone 5 65 - 7 - 11286/11167=4 QB ALA 41 - HB ILE 80 lone 4 73 - 5 - Peak 11935 from cnoeabs.peaks (3.11, 4.64, 55.07 ppm; 6.80 A): 1 out of 4 assignments used, quality = 1.00: HB2 HIS 4 + HA HIS 4 OK 100 100 - 100 - 3.0=100 HB2 HIS 7 - HA HIS 4 OK 32 81 - 39 - ~38=7, ~33=6, ~6014=6...(10) HB2 HIS 7 - HA HIS 6 OK 32 55 - 58 - 3.9/6027=24, ~69=14...(8) HB2 HIS 4 - HA HIS 6 OK 20 76 - 25 - 6031/3.6=6, 1.8/11936=5...(8) Peak 11936 from cnoeabs.peaks (3.23, 4.64, 55.07 ppm; 6.80 A): 1 out of 10 assignments used, quality = 0.98: HB3 HIS 4 + HA HIS 4 OK 98 98 - 100 - 3.0=100 HB3 HIS 4 - HA HIS 6 OK 16 72 - 21 - 1.8/11935=5, 38=4...(7) HD3 ARG 135 - HA HIS 4 lone 9 92 - 9 - 35/3.0=2, ~4343=1...(4) HB2 PHE 87 - HA HIS 4 lone 7 100 - 7 - 35/3.0=1, ~35=1 HB3 PHE 87 - HA HIS 4 lone 6 92 - 7 - 35/3.0=1, ~35=1 HB2 HIS 5 - HA HIS 4 lone 4 98 - 5 - ~52=1 HB2 PHE 87 - HA HIS 6 lone 2 76 - 3 - HB2 HIS 5 - HA HIS 6 lone 2 72 - 3 - HD3 ARG 135 - HA HIS 6 lone 2 65 - 3 - HB3 PHE 87 - HA HIS 6 lone 2 65 - 3 - Peak 11937 from cnoeabs.peaks (2.04, 2.04, 16.73 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: QE MET 11 + QE MET 11 OK 100 100 - 100 Peak 11938 from cnoeabs.peaks (2.52, 2.04, 16.73 ppm; 6.80 A): 2 out of 3 assignments used, quality = 1.00: HG3 MET 11 + QE MET 11 OK 99 99 - 100 - 3.3=100 HG3 GLU 102 + QE MET 11 OK 58 98 - 59 - 145/4.2=14, 138/4.2=14...(8) HB2 ASP 78 - QE MET 11 lone 2 65 - 3 - Peak 11939 from cnoeabs.peaks (4.42, 2.04, 16.73 ppm; 6.80 A): 1 out of 6 assignments used, quality = 0.99: HA MET 11 + QE MET 11 OK 99 99 - 100 - 5.1=100 HA VAL 112 - QE MET 11 OK 32 100 - 33 - 11494/4.2=10, 141/4.2=7...(5) HA ASN 120 - QE MET 11 OK 29 96 - 30 - 2.9/10298=6, 155/3.3=5...(8) HA THR 54 - QE MET 11 OK 24 98 - 24 - 148/3.3=5, 3.6/6693=5...(6) HA ASP 71 - QE MET 11 OK 16 92 - 17 - 2281/5.9=5, 141/4.2=3...(5) HA HIS 5 - QE MET 11 lone 2 57 - 3 - Peak 11942 from cnoeabs.peaks (1.79, 0.89, 21.05 ppm; 6.80 A): 4 out of 6 assignments used, quality = 0.83: HB3 LEU 122 + QG2 VAL 20 OK 65 96 - 68 - ~10713=47, 10712/2.1=15...(6) HB2 LEU 48 + QG2 VAL 20 OK 26 65 - 40 - 4.6/359=9, ~1509=6...(11) HB3 LEU 103 + QG2 VAL 20 OK 25 98 - 25 - 3.0/11709=8, 10712/2.1=5...(7) HB3 LEU 123 + QG2 VAL 20 OK 15 27 - 55 - ~10708=12, ~11772=12...(12) HB2 LYS 86 - QG2 VAL 20 lone 6 92 - 7 - 10712/2.1=2 HB3 LEU 98 - QG2 VAL 20 lone 5 92 - 6 - Peak 11943 from cnoeabs.peaks (3.99, 1.82, 30.64 ppm; 6.80 A): 2 out of 4 assignments used, quality = 0.75: HA VAL 20 + HB3 ARG 23 OK 72 96 - 76 - 10706/1.8=44...(8) HA SER 50 + HB3 ARG 23 OK 11 99 - 11 - ~6620=6, 11783/3.8=3 HA GLN 68 - HB3 ARG 23 lone 6 100 - 5 - 11783/3.8=2 HB2 SER 124 - HB3 ARG 23 lone 6 100 - 5 - 11783/3.8=2 Average quality of peak assignments : 0.795 Average number of used assignments : 1.810 Average rank of reference assignment: 1.049 Peaks with increased upper limit : 0 Peaks with decreased upper limit : 0 Peaks: selected : 8420 in nnoeabs.peaks : 2373 in cnoeabs.peaks : 6047 assigned : 7487 unassigned : 933 without assignment possibility : 157 with violation below 0.5 A : 776 with violation between 0.5 and 3.0 A : 0 with violation above 3.0 A : 0 in nnoeabs.peaks : 211 in cnoeabs.peaks : 722 with diagonal assignment : 836 Cross peaks: with off-diagonal assignment : 6651 with unique assignment : 2830 with short-range assignment |i-j|<=1: 5157 with medium-range assignment 1<|i-j|<5 : 958 with long-range assignment |i-j|>=5: 536 Comparison with reference assignment: Cross peaks with reference assignment : 5358 with identical reference assignment : 2415 with compatible reference assignment : 5249 with incompatible reference assignment : 1 with additional reference assignment : 13 with additional assignment : 1401