Peak 2 from nnoeabs.peaks (4.69, 8.23, 121.29 ppm; 3.68 A): 2 out of 2 assignments used, quality = 1.00: * HA HIS 10 + H MET 11 OK 100 100 - 100 - 3.6=100 HA MET 11 + H MET 11 OK 63 63 - 100 - 3.0=100 Peak 3 from nnoeabs.peaks (3.20, 8.23, 121.29 ppm; 5.32 A): 1 out of 1 assignment used, quality = 1.00: * HB2 HIS 10 + H MET 11 OK 100 100 - 100 - 4.4=100 Peak 4 from nnoeabs.peaks (3.11, 8.23, 121.29 ppm; 5.15 A): 1 out of 1 assignment used, quality = 1.00: * HB3 HIS 10 + H MET 11 OK 100 100 - 100 - 4.4=100 Peak 5 from nnoeabs.peaks (2.48, 8.23, 121.29 ppm; 4.57 A): 2 out of 5 assignments used, quality = 0.98: * HG3 MET 11 + H MET 11 OK 95 100 - 95 - 4.8=87, 4728/3.0=32...(5) HG3 GLN 15 + H MET 11 OK 53 100 - 53 - 4015/4.6=22, 4822/3.7=19...(5) HB2 GLN 15 - H MET 11 OK 28 83 - 34 - 4013/4.6=17, 4802/3.0=8...(4) HB2 ASN 54 - H MET 11 lone 2 98 - 2 - HG2 GLU 20 - H MET 11 lone 1 81 - 2 - Peak 7 from nnoeabs.peaks (4.66, 9.36, 119.62 ppm; 3.42 A): 1 out of 3 assignments used, quality = 0.93: * HA MET 11 + H SER 12 OK 93 100 - 93 - 3.6=88, 3.0/3350=21...(6) HA THR 44 - H SER 12 lone 2 99 - 2 - HA HIS 10 - H SER 12 lone 1 63 - 1 - Peak 8 from nnoeabs.peaks (2.00, 9.36, 119.62 ppm; 4.09 A): 1 out of 9 assignments used, quality = 0.95: * HB2 MET 11 + H SER 12 OK 95 100 - 95 - 4.3=86, 3.0/3349=36...(9) HB3 GLU 18 - H SER 12 lone 8 100 - 8 - 4017/4012=2, 4022/4013=2...(4) HB2 GLU 18 - H SER 12 lone 8 100 - 8 - 4017/4012=2, 4022/4013=2...(4) HB3 GLN 26 - H SER 12 lone 5 68 - 7 - ~4192=2, 4192/2.9=2, ~4188=1 HB2 GLN 26 - H SER 12 lone 5 68 - 7 - ~4192=2, 4192/2.9=2, ~4188=1 HG2 PRO 32 - H SER 12 lone 3 92 - 3 - HB3 GLN 63 - H SER 12 lone 2 100 - 2 - HD3 ARG 55 - H SER 12 lone 2 71 - 2 - HB3 ARG 21 - H SER 12 lone 1 65 - 2 - Peak 9 from nnoeabs.peaks (1.83, 9.36, 119.62 ppm; 4.89 A): 1 out of 1 assignment used, quality = 1.00: * HB3 MET 11 + H SER 12 OK 100 100 - 100 - 4.3=100 Peak 11 from nnoeabs.peaks (4.38, 7.92, 111.33 ppm; 3.78 A): 1 out of 1 assignment used, quality = 1.00: * HA HIS 13 + H THR 14 OK 100 100 - 100 - 3.6=100 Peak 12 from nnoeabs.peaks (3.21, 7.92, 111.33 ppm; 3.66 A): 2 out of 7 assignments used, quality = 0.72: * HB2 HIS 13 + H THR 14 OK 65 100 - 65 - 4.6=49, 1.8/13=30 HA VAL 16 + H THR 14 OK 22 95 - 23 - 3.0/929=21, 4057/4.0=1 HD2 ARG 21 - H THR 14 lone 1 96 - 1 - HD3 ARG 21 - H THR 14 lone 1 78 - 1 - HB2 HIS 10 - H THR 14 lone 1 97 - 1 - HB3 HIS 36 - H THR 14 lone 1 73 - 1 - HB2 HIS 36 - H THR 14 lone 1 73 - 1 - Peak 13 from nnoeabs.peaks (3.27, 7.92, 111.33 ppm; 3.95 A): 1 out of 4 assignments used, quality = 0.73: * HB3 HIS 13 + H THR 14 OK 73 100 - 73 - 4.6=62, 1.8/3354=29 HD3 ARG 34 - H THR 14 lone 4 100 - 4 - 1904/3.0=1 HB2 PHE 52 - H THR 14 lone 2 100 - 2 - HB3 TRP 51 - H THR 14 lone 1 85 - 1 - Peak 15 from nnoeabs.peaks (7.92, 7.51, 120.36 ppm; 3.98 A): 1 out of 3 assignments used, quality = 0.87: * H THR 14 + H GLN 15 OK 87 100 - 87 - 4.6=63, 505/4.0=24...(9) H LYS 42 - H GLN 15 poor 10 95 - 11 - 4.6/509=4, 187/4440=2, 929/4.6=1 H GLY 69 - H GLN 15 lone 6 89 - 7 - 929/4.6=1, 3.6/924=1 Peak 16 from nnoeabs.peaks (3.81, 7.51, 120.36 ppm; 4.01 A): 2 out of 2 assignments used, quality = 1.00: * HA THR 14 + H GLN 15 OK 100 100 - 100 - 3.6=100 HA GLN 15 + H GLN 15 OK 85 85 - 100 - 3.0=100 Peak 17 from nnoeabs.peaks (4.04, 7.51, 120.36 ppm; 4.04 A): 1 out of 6 assignments used, quality = 0.95: * HB THR 14 + H GLN 15 OK 95 100 - 95 - 4.2=92, 3.9/866=24...(5) HA LEU 37 - H GLN 15 poor 9 92 - 10 - ~990=2, 3.8/4391=2...(4) HA ARG 21 - H GLN 15 lone 4 68 - 6 - 3.6/927=2 HA GLU 33 - H GLN 15 lone 3 65 - 4 - HB THR 46 - H GLN 15 lone 3 92 - 3 - HA TRP 51 - H GLN 15 lone 1 63 - 2 - Peak 18 from nnoeabs.peaks (1.21, 7.51, 120.36 ppm; 4.47 A): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 14 + H GLN 15 OK 100 100 - 100 - 4.0=100 Peak 19 from nnoeabs.peaks (7.51, 7.83, 117.36 ppm; 3.44 A): 1 out of 6 assignments used, quality = 0.82: * H GLN 15 + H VAL 16 OK 82 100 - 82 - 867=48, 4.0/3361=15...(12) QE PHE 52 - H VAL 16 lone 8 78 - 10 - 4731/4.0=4, 4042/3.0=2 H TYR 28 - H VAL 16 lone 3 100 - 2 - HE21 GLN 63 - H VAL 16 lone 2 71 - 3 - HD21 ASN 54 - H VAL 16 lone 2 83 - 3 - HE22 GLN 53 - H VAL 16 lone 2 100 - 2 - Peak 20 from nnoeabs.peaks (3.79, 7.83, 117.36 ppm; 4.25 A): 1 out of 1 assignment used, quality = 1.00: * HA GLN 15 + H VAL 16 OK 100 100 - 100 - 3.6=100 Peak 21 from nnoeabs.peaks (2.50, 7.83, 117.36 ppm; 3.55 A): 2 out of 4 assignments used, quality = 0.94: * HB2 GLN 15 + H VAL 16 OK 82 100 - 82 - 4.7=45, 1.8/3362=23...(9) HG3 GLN 15 + H VAL 16 OK 64 85 - 75 - 1.8/3363=26, 3364=23...(9) HG3 MET 11 - H VAL 16 OK 27 83 - 33 - 3.0/4729=16, 3.0/4055=6...(6) HB2 ASN 54 - H VAL 16 lone 2 60 - 3 - Peak 22 from nnoeabs.peaks (1.63, 7.83, 117.36 ppm; 4.05 A): 2 out of 10 assignments used, quality = 0.93: * HB3 GLN 15 + H VAL 16 OK 92 100 - 92 - 4.7=66, 1.8/3361=33...(6) HB2 LEU 41 + H VAL 16 OK 12 90 - 14 - 509/4.6=4, 4442/3363=4...(5) HG3 ARG 21 - H VAL 16 poor 8 60 - 13 - 1.8/4055=3, 3.0/4056=3...(6) HB3 LEU 68 - H VAL 16 lone 7 100 - 7 - 3.0/930=2, 4.3/929=2 HB2 LEU 68 - H VAL 16 lone 7 100 - 7 - 3.0/930=2, 4.3/929=2 HG LEU 68 - H VAL 16 lone 4 87 - 5 - 3.6/930=2, 4711/4729=1 HB3 LEU 64 - H VAL 16 lone 4 90 - 4 - 3.0/930=1 HG LEU 64 - H VAL 16 lone 3 99 - 3 - 3.7/930=1 HB2 LEU 64 - H VAL 16 lone 2 63 - 3 - 3.0/930=1 HD3 LYS 42 - H VAL 16 lone 2 65 - 2 - Peak 23 from nnoeabs.peaks (2.30, 7.83, 117.36 ppm; 5.17 A): 1 out of 8 assignments used, quality = 0.95: * HG2 GLN 15 + H VAL 16 OK 95 100 - 95 - 3363=50, 1.8/3364=48...(6) HG2 GLU 18 - H VAL 16 OK 34 78 - 44 - 4.9/932=18, 4096/3.6=10...(6) HB3 PRO 32 - H VAL 16 OK 15 97 - 15 - 2.3/930=4, 1148/3.6=3...(5) HG3 GLN 26 - H VAL 16 lone 8 98 - 9 - 510/4.6=3, 1148/3.6=3 HG2 GLN 26 - H VAL 16 lone 8 97 - 8 - 510/4.6=3, 1148/3.6=3 HG2 GLU 67 - H VAL 16 lone 5 87 - 5 - HB3 GLU 33 - H VAL 16 lone 3 85 - 4 - HG2 GLU 33 - H VAL 16 lone 2 71 - 3 - Peak 24 from nnoeabs.peaks (2.48, 7.83, 117.36 ppm; 3.72 A): 2 out of 5 assignments used, quality = 0.95: * HG3 GLN 15 + H VAL 16 OK 83 100 - 83 - 3364=34, 1.8/3363=29...(10) HB2 GLN 15 + H VAL 16 OK 73 85 - 86 - 4.7=51, 1.8/3362=26...(9) HG3 MET 11 - H VAL 16 OK 40 100 - 40 - 3.0/4729=18, 4723/4.0=9...(6) HG2 GLU 20 - H VAL 16 OK 11 78 - 14 - 4124/4.0=8, 4059/4.0=6 HB2 ASN 54 - H VAL 16 lone 4 97 - 4 - Peak 27 from nnoeabs.peaks (7.83, 8.01, 118.34 ppm; 3.66 A): 1 out of 2 assignments used, quality = 0.89: * H VAL 16 + H ILE 17 OK 89 100 - 89 - 4.5=53, 1194/4.3=21...(11) H VAL 16 - H HIS 36 poor 7 57 - 12 - 868=4, 3.9/3366=2...(5) Peak 28 from nnoeabs.peaks (3.23, 8.01, 118.34 ppm; 3.50 A): 1 out of 10 assignments used, quality = 0.98: * HA VAL 16 + H ILE 17 OK 98 100 - 98 - 3.6=94, 3.0/27=24...(13) HD3 ARG 21 - H ILE 17 OK 25 98 - 26 - 4137/4.0=10, 938/4.6=3...(8) HD2 ARG 21 - H ILE 17 OK 14 71 - 19 - 4136/4.0=5, 2.9/521=3...(8) HB2 HIS 13 - H ILE 17 OK 12 95 - 12 - 3.0/3664=9, 4080/5.0=2 HA VAL 16 - H HIS 36 lone 5 57 - 9 - 3.0/868=2, 3.0/3366=2 HD3 ARG 21 - H HIS 36 lone 1 53 - 2 - HB2 HIS 13 - H HIS 36 lone 1 49 - 2 - 3.0/3664=1 HB2 HIS 10 - H ILE 17 lone 1 73 - 1 - HD2 ARG 21 - H HIS 36 lone 1 33 - 2 - HB2 HIS 10 - H HIS 36 lone 0 35 - 1 - Peak 29 from nnoeabs.peaks (2.07, 8.01, 118.34 ppm; 3.31 A): 2 out of 16 assignments used, quality = 0.80: * HB VAL 16 + H ILE 17 OK 77 100 - 77 - 4.4=41, 3.9/27=16...(9) HG3 GLU 45 + H HIS 36 OK 14 56 - 26 - 4527/3.6=13, 4516/3.7=10 HB2 LYS 22 - H ILE 17 poor 9 87 - 10 - 1414=2, 3.0/936=1, 3.5/521=1 HB VAL 16 - H HIS 36 lone 6 57 - 10 - 3366=3, 3.9/868=1, 2.1/3368=1 HG3 GLU 45 - H ILE 17 lone 5 100 - 5 - ~4068=1, ~3688=1 HB3 GLU 45 - H ILE 17 lone 4 63 - 6 - ~3688=2, ~3689=1, 3688/3.0=1 HB3 GLU 45 - H HIS 36 poor 4 29 - 13 - 4355/3.6=6, 4362/3.7=4 HG3 PRO 32 - H ILE 17 lone 4 73 - 5 - 2.3/935=2, 3.8/936=1 HB2 GLU 45 - H ILE 17 lone 4 57 - 6 - ~3688=2, ~3689=1, 3688/3.0=1 HB2 GLU 45 - H HIS 36 poor 3 26 - 12 - 4355/3.6=5, 4362/3.7=4 HB2 GLN 63 - H ILE 17 lone 3 100 - 3 - HG3 PRO 32 - H HIS 36 lone 2 35 - 5 - 3.8/936=2, 4351/4.6=1 HB2 LYS 22 - H HIS 36 lone 1 43 - 3 - HB2 GLU 67 - H ILE 17 lone 1 96 - 1 - HB2 GLU 67 - H HIS 36 lone 1 50 - 2 - HB2 GLN 63 - H HIS 36 lone 1 56 - 1 - Peak 30 from nnoeabs.peaks (1.01, 8.01, 118.34 ppm; 3.62 A): 2 out of 6 assignments used, quality = 0.97: * QG2 VAL 16 + H ILE 17 OK 89 100 - 89 - 4.3=62, 2.1/3366=22...(11) QG1 VAL 16 + H ILE 17 OK 72 83 - 87 - 4.3=62, 2.1/3366=22...(10) QG1 VAL 48 - H ILE 17 lone 7 90 - 8 - 4763/3.0=2 QG2 VAL 16 - H HIS 36 lone 5 57 - 9 - 2.1/3366=2, 2.1/3368=2, 4.0/27=2 QG1 VAL 16 - H HIS 36 lone 4 40 - 8 - 2.1/3366=2, 4.0/27=2, 3368=2 QG1 VAL 48 - H HIS 36 lone 1 46 - 2 - Peak 31 from nnoeabs.peaks (1.03, 8.01, 118.34 ppm; 3.44 A): 2 out of 4 assignments used, quality = 0.95: * QG1 VAL 16 + H ILE 17 OK 84 100 - 84 - 4.3=53, 2.1/3366=20...(12) QG2 VAL 16 + H ILE 17 OK 68 83 - 82 - 4.3=53, 2.1/3366=20...(10) QG1 VAL 16 - H HIS 36 lone 5 57 - 8 - 2.1/3366=2, 3368=2, 4.0/27=1 QG2 VAL 16 - H HIS 36 lone 3 40 - 8 - 2.1/3366=2, 2.1/3368=1, 4.0/27=1 Peak 32 from nnoeabs.peaks (8.01, 7.55, 119.23 ppm; 3.24 A): 4 out of 14 assignments used, quality = 0.88: * H ILE 17 + H GLU 18 OK 68 100 - 68 - 4.6=35, 522/4.3=13...(12) H LEU 19 + H GLU 18 OK 41 68 - 61 - 4.7=34, 943/3.6=9...(14) H LYS 22 + H GLU 18 OK 22 83 - 27 - 4.6/4134=7, 961/3.0=7...(8) H ILE 17 + H TYR 57 OK 19 76 - 24 - 869=8, 4.0/3370=3...(8) H HIS 36 - H GLU 18 lone 8 83 - 9 - 869=2, 522/4.3=1 H ASN 40 - H GLU 18 lone 7 99 - 7 - 4421/4437=1 H GLN 53 - H GLU 18 lone 6 73 - 8 - 2.9/3829=2, 4.6/4758=1 H GLN 53 - H TYR 57 poor 6 49 - 12 - 2.9/3829=9, 4.6/4758=2 H LEU 19 - H TYR 57 lone 4 45 - 8 - 39=2, 4.6/949=1 H ASN 40 - H TYR 57 lone 4 73 - 5 - 165/4.5=2 H LYS 22 - H TYR 57 lone 3 56 - 6 - 4.6/4134=2 H HIS 36 - H TYR 57 lone 2 56 - 3 - H LYS 60 - H GLU 18 lone 1 65 - 2 - H LYS 60 - H TYR 57 lone 1 43 - 2 - 4.6/287=1 Peak 33 from nnoeabs.peaks (3.69, 7.55, 119.23 ppm; 4.33 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 17 + H GLU 18 OK 100 100 - 100 - 3.6=100 Peak 34 from nnoeabs.peaks (1.84, 7.55, 119.23 ppm; 3.72 A): 2 out of 20 assignments used, quality = 0.93: * HB ILE 17 + H GLU 18 OK 87 100 - 87 - 4.5=57, 2.1/35=21...(14) HG2 ARG 21 + H GLU 18 OK 47 81 - 59 - 4138/3.0=11, 4.7/4134=10...(19) HB ILE 17 - H TYR 57 OK 25 76 - 33 - 3370=10, 2.1/3371=7...(7) HG LEU 41 - H GLU 18 OK 17 60 - 28 - 2.1/4437=13, 2.1/38=6...(4) HB3 ARG 34 - H GLU 18 lone 8 81 - 10 - 3.0/940=3, 3724/3.0=2, ~3722=2 HB3 MET 11 - H GLU 18 lone 8 100 - 8 - 521/4.6=2, 4055/932=2, 1.8/528=1 HD2 LYS 22 - H GLU 18 lone 7 85 - 9 - 6.1/32=1, 3.5/531=1 HB3 GLN 47 - H GLU 18 lone 4 96 - 4 - 3.0/531=2 HG2 ARG 21 - H TYR 57 lone 4 54 - 7 - 4.7/4134=2 HD2 LYS 22 - H TYR 57 lone 3 58 - 5 - 4716/4.4=1 HB2 LYS 62 - H TYR 57 lone 3 71 - 4 - ~4850=2 HB2 LYS 60 - H TYR 57 lone 3 76 - 3 - ~4850=1 HG LEU 41 - H TYR 57 lone 2 39 - 5 - 2.1/4437=1 HB2 LYS 60 - H GLU 18 lone 2 100 - 2 - HB3 GLN 47 - H TYR 57 lone 2 69 - 3 - HB3 MET 11 - H TYR 57 lone 2 76 - 2 - HB2 ARG 61 - H TYR 57 lone 1 43 - 3 - ~4850=1 HB3 ARG 34 - H TYR 57 lone 1 54 - 2 - HB2 LYS 62 - H GLU 18 lone 1 97 - 1 - HB2 ARG 61 - H GLU 18 lone 1 65 - 1 - Peak 35 from nnoeabs.peaks (0.81, 7.55, 119.23 ppm; 4.03 A): 1 out of 4 assignments used, quality = 0.96: * QG2 ILE 17 + H GLU 18 OK 96 100 - 96 - 4.3=80, 4076/3.0=27...(18) QG2 ILE 17 - H TYR 57 OK 28 76 - 37 - 3371=11, 2.1/3370=8...(7) QD1 ILE 50 - H GLU 18 OK 12 98 - 12 - 4087/3.0=4, 4135/4134=2...(4) QD1 ILE 50 - H TYR 57 lone 3 72 - 4 - 4603/3829=1 Peak 36 from nnoeabs.peaks (1.08, 7.55, 119.23 ppm; 5.11 A): 1 out of 2 assignments used, quality = 0.96: * HG12 ILE 17 + H GLU 18 OK 96 100 - 96 - 1208/3.6=42, 523/4.6=34...(13) HG12 ILE 17 - H TYR 57 OK 36 76 - 47 - 3372=13, 1.8/3373=11...(7) Peak 37 from nnoeabs.peaks (1.38, 7.55, 119.23 ppm; 4.81 A): 2 out of 10 assignments used, quality = 0.96: * HG13 ILE 17 + H GLU 18 OK 94 100 - 94 - 1233/3.6=38, 3373=30...(13) HG13 ILE 17 + H TYR 57 OK 34 76 - 45 - 3373=13, 1.8/3372=11...(8) HG2 LYS 58 - H TYR 57 OK 27 63 - 44 - 4.9/295=22, ~4850=14...(5) HG2 LYS 58 - H GLU 18 lone 7 90 - 7 - 4.9/295=4 HG3 LYS 42 - H GLU 18 lone 3 81 - 3 - HG2 LYS 42 - H GLU 18 lone 3 81 - 3 - HG2 LYS 42 - H TYR 57 lone 2 54 - 4 - 788/4.5=1 HG3 LYS 42 - H TYR 57 lone 2 54 - 4 - 788/4.5=1 HG3 LYS 49 - H GLU 18 lone 2 78 - 2 - HG3 LYS 49 - H TYR 57 lone 1 52 - 2 - Peak 38 from nnoeabs.peaks (0.70, 7.55, 119.23 ppm; 4.51 A): 3 out of 6 assignments used, quality = 0.98: * QD1 ILE 17 + H GLU 18 OK 90 100 - 90 - 1240/3.6=33, 1224/4.3=26...(15) HB2 LEU 19 + H GLU 18 OK 56 98 - 58 - 4.0/39=23, 4.4/949=14...(11) QD1 LEU 41 + H GLU 18 OK 56 85 - 66 - 2.1/4437=19, 4438/4.7=13...(17) QD1 ILE 17 - H TYR 57 OK 29 76 - 38 - 2.1/3372=9, 2.1/3373=9...(7) HB2 LEU 19 - H TYR 57 lone 7 72 - 10 - 4.4/949=3, 4.0/39=3 QD1 LEU 41 - H TYR 57 poor 7 58 - 12 - 4439/4.6=2, 2.1/4437=2, ~4851=1 Peak 39 from nnoeabs.peaks (7.55, 7.98, 124.25 ppm; 3.45 A): 2 out of 4 assignments used, quality = 0.77: * H GLU 18 + H LEU 19 OK 72 100 - 73 - 4.7=41, 3.6/943=19...(15) QE PHE 52 + H LEU 19 OK 17 76 - 23 - 4707/4.7=9, 4102/2.9=5...(4) H TYR 57 - H LEU 19 lone 10 96 - 10 - 870=3, 949/4.6=2 HE21 GLN 63 - H LEU 19 lone 4 83 - 4 - Peak 40 from nnoeabs.peaks (4.19, 7.98, 124.25 ppm; 4.23 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 18 + H LEU 19 OK 100 100 - 100 - 3.6=100 Peak 41 from nnoeabs.peaks (2.00, 7.98, 124.25 ppm; 3.58 A): 2 out of 10 assignments used, quality = 0.95: HB3 GLU 18 + H LEU 19 OK 78 100 - 78 - 4.3=59, 3.9/39=15...(9) * HB2 GLU 18 + H LEU 19 OK 78 100 - 78 - 4.3=59, 3.9/39=15...(9) HB3 ARG 21 - H LEU 19 OK 20 68 - 29 - 4.0/947=11, 3.5/945=6...(8) HB2 ARG 21 - H LEU 19 OK 17 60 - 29 - 4.0/947=11, 3.5/945=6...(8) HD3 ARG 55 - H LEU 19 lone 7 73 - 10 - 3.0/538=2, 1.8/44=2, 3.7/538=2 HB2 MET 11 - H LEU 19 lone 7 100 - 7 - 4712/4105=2 HB3 GLN 63 - H LEU 19 lone 4 100 - 4 - HG2 PRO 32 - H LEU 19 lone 4 93 - 4 - 2.3/946=1 HB2 GLN 26 - H LEU 19 lone 1 65 - 1 - HB3 GLN 26 - H LEU 19 lone 1 65 - 1 - Peak 42 from nnoeabs.peaks (2.00, 7.98, 124.25 ppm; 3.58 A): 2 out of 10 assignments used, quality = 0.95: * HB3 GLU 18 + H LEU 19 OK 78 100 - 78 - 4.3=59, 3.9/39=15...(9) HB2 GLU 18 + H LEU 19 OK 78 100 - 78 - 4.3=59, 3.9/39=15...(9) HB3 ARG 21 - H LEU 19 OK 20 68 - 29 - 4.0/947=11, 3.5/945=6...(8) HB2 ARG 21 - H LEU 19 OK 17 60 - 29 - 4.0/947=11, 3.5/945=6...(8) HD3 ARG 55 - H LEU 19 lone 7 73 - 10 - 3.0/538=2, 1.8/44=2, 3.7/538=2 HB2 MET 11 - H LEU 19 lone 7 100 - 7 - 4712/4105=2 HB3 GLN 63 - H LEU 19 lone 4 100 - 4 - HG2 PRO 32 - H LEU 19 lone 4 93 - 4 - 2.3/946=1 HB2 GLN 26 - H LEU 19 lone 1 65 - 1 - HB3 GLN 26 - H LEU 19 lone 1 65 - 1 - Peak 44 from nnoeabs.peaks (2.41, 7.98, 124.25 ppm; 4.85 A): 6 out of 7 assignments used, quality = 0.94: * HG3 GLU 18 + H LEU 19 OK 77 100 - 77 - 1251/3.6=24, 4.9/39=21...(12) HG3 GLU 20 + H LEU 19 OK 45 90 - 50 - 5.0/871=25, 4122/943=8...(9) HB3 LYS 22 + H LEU 19 OK 23 65 - 35 - 3702/2.9=11, ~3701=10...(6) HD2 ARG 55 + H LEU 19 OK 17 100 - 17 - 3.0/538=4, 3.7/538=3...(6) HG2 GLU 45 + H LEU 19 OK 16 98 - 16 - 2298/2.9=4, ~2304=2...(7) HG3 GLN 47 + H LEU 19 OK 13 100 - 13 - 531/4.7=2, 4556/5.2=2...(4) HG2 MET 11 - H LEU 19 lone 8 81 - 10 - 4718/4105=2, 3.0/42=1 Peak 45 from nnoeabs.peaks (7.98, 8.41, 118.68 ppm; 3.45 A): 2 out of 4 assignments used, quality = 0.88: * H LEU 19 + H GLU 20 OK 80 100 - 81 - 871=43, 4.0/48=15...(13) H ILE 17 + H GLU 20 OK 37 68 - 54 - 3.0/950=22, 3.6/3683=11...(12) H HIS 36 - H GLU 20 lone 8 99 - 8 - 987=1, 954/4.6=1, 4.7/887=1 H LYS 60 - H GLU 20 lone 2 100 - 2 - Peak 46 from nnoeabs.peaks (3.64, 8.41, 118.68 ppm; 4.37 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 19 + H GLU 20 OK 100 100 - 100 - 3.6=100 Peak 47 from nnoeabs.peaks (0.71, 8.41, 118.68 ppm; 3.73 A): 3 out of 3 assignments used, quality = 0.94: * HB2 LEU 19 + H GLU 20 OK 86 100 - 86 - 4.4=59, 1.8/48=28...(9) QD1 ILE 17 + H GLU 20 OK 33 98 - 34 - 4.2/950=19, 5.0/952=5...(7) QD1 LEU 41 + H GLU 20 OK 31 97 - 32 - 4438/4.6=11, 4816/50=8...(5) Peak 48 from nnoeabs.peaks (-0.76, 8.41, 118.68 ppm; 4.41 A): 1 out of 1 assignment used, quality = 0.99: * HB3 LEU 19 + H GLU 20 OK 99 100 - 99 - 4.4=98, 4.0/871=27...(7) Peak 49 from nnoeabs.peaks (1.24, 8.41, 118.68 ppm; 4.89 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 19 + H GLU 20 OK 100 100 - 100 - 4.8=100 Peak 50 from nnoeabs.peaks (0.53, 8.41, 118.68 ppm; 5.07 A): 1 out of 1 assignment used, quality = 0.94: * QD2 LEU 19 + H GLU 20 OK 94 100 - 94 - 1281/3.6=45, 3384=40...(14) Peak 51 from nnoeabs.peaks (-0.28, 8.41, 118.68 ppm; 4.77 A): 3 out of 3 assignments used, quality = 0.88: * QD1 LEU 19 + H GLU 20 OK 82 100 - 82 - 3.1/48=35, 2.1/50=35...(10) HG2 ARG 55 + H GLU 20 OK 22 100 - 22 - 4696/4126=5, 4695/4125=4...(7) HB3 ARG 55 + H GLU 20 OK 17 100 - 17 - 4696/4126=4, 4695/4125=4...(6) Peak 52 from nnoeabs.peaks (8.41, 8.31, 121.06 ppm; 3.37 A): 1 out of 4 assignments used, quality = 0.77: * H GLU 20 + H ARG 21 OK 77 100 - 77 - 4.6=39, 541/4.1=15...(14) H GLU 67 - H ARG 21 lone 10 97 - 10 - 959/4.6=2, 1324/4.1=1 H ALA 38 - H ARG 21 poor 8 65 - 13 - 2.9/4393=3, 959/4.6=2...(4) H LEU 64 - H ARG 21 lone 2 71 - 3 - Peak 53 from nnoeabs.peaks (4.22, 8.31, 121.06 ppm; 3.78 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 20 + H ARG 21 OK 100 100 - 100 - 3.6=100 Peak 54 from nnoeabs.peaks (2.16, 8.31, 121.06 ppm; 3.77 A): 3 out of 4 assignments used, quality = 0.95: * HB2 GLU 20 + H ARG 21 OK 92 100 - 92 - 4.1=77, 1.8/55=26...(8) HB3 LYS 42 + H ARG 21 OK 22 97 - 23 - 3500=6, 3.0/3498=4...(7) HB2 GLN 53 + H ARG 21 OK 16 93 - 17 - 4.0/873=3, 3.0/56=3...(7) HB VAL 48 - H ARG 21 lone 7 100 - 7 - 3.0/953=3, 3773/953=1 Peak 55 from nnoeabs.peaks (2.04, 8.31, 121.06 ppm; 3.57 A): 2 out of 7 assignments used, quality = 0.89: * HB3 GLU 20 + H ARG 21 OK 86 100 - 86 - 4.1=65, 1.8/54=22...(9) HB2 LYS 22 + H ARG 21 OK 18 90 - 20 - 4.0/58=14, 542/4.6=2...(4) HB2 GLU 45 - H ARG 21 lone 9 100 - 9 - 3.0/953=3, 3.0/57=1...(5) HB3 GLU 45 - H ARG 21 lone 9 99 - 9 - 3.0/953=3, 3.0/57=1...(5) HB3 ARG 56 - H ARG 21 lone 6 100 - 5 - 4.6/4134=2, 3.9/1056=1 HB2 GLN 26 - H ARG 21 lone 1 87 - 1 - HB3 GLN 26 - H ARG 21 lone 1 87 - 1 - Peak 56 from nnoeabs.peaks (2.46, 8.31, 121.06 ppm; 4.44 A): 3 out of 5 assignments used, quality = 0.85: * HG2 GLU 20 + H ARG 21 OK 80 100 - 80 - 1322/3.6=27, 3.0/55=26...(7) HG2 GLN 53 + H ARG 21 OK 15 71 - 21 - 3.0/54=4, 5.1/873=3...(8) HB2 ASN 54 + H ARG 21 OK 11 96 - 11 - 2669=2, 1322/3.6=2...(5) HG3 MET 11 - H ARG 21 lone 5 81 - 6 - 1322/3.6=1, 543/4.6=1 HG3 GLN 15 - H ARG 21 lone 4 78 - 5 - Peak 57 from nnoeabs.peaks (2.42, 8.31, 121.06 ppm; 4.25 A): 4 out of 6 assignments used, quality = 0.91: * HG3 GLU 20 + H ARG 21 OK 76 100 - 76 - 3.0/55=24, 3.0/54=23...(11) HG3 GLU 18 + H ARG 21 OK 48 90 - 53 - 3.9/3692=23, 4.9/4134=14...(11) HG2 GLN 53 + H ARG 21 OK 20 92 - 21 - 3.0/54=4, 3564=4...(8) HG2 GLU 45 + H ARG 21 OK 12 71 - 16 - 3.9/953=4, 3.0/55=3...(5) HG3 GLN 47 - H ARG 21 lone 8 83 - 10 - 5.1/873=1, ~3843=1 HD2 ARG 55 - H ARG 21 lone 7 90 - 8 - 544/4.6=2, 1323/3.6=2 Peak 58 from nnoeabs.peaks (8.31, 8.03, 120.92 ppm; 3.50 A): 4 out of 4 assignments used, quality = 0.80: * H ARG 21 + H LYS 22 OK 69 100 - 70 - 4.6=45, 3.6/958=8...(12) H LEU 43 + H LYS 22 OK 14 89 - 15 - 4486/3.6=3, 3.6/4467=3, 4.0/63=2 H ASN 54 + H LYS 22 OK 12 89 - 14 - 265=5, 4.4/2639=2...(4) H LYS 62 + H LYS 22 OK 12 97 - 12 - 3.6/958=2, 4.6/559=2...(5) Peak 59 from nnoeabs.peaks (4.07, 8.03, 120.92 ppm; 4.30 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 21 + H LYS 22 OK 100 100 - 100 - 3.6=100 Peak 60 from nnoeabs.peaks (1.97, 8.03, 120.92 ppm; 3.26 A): 3 out of 9 assignments used, quality = 0.97: HD3 LYS 22 + H LYS 22 OK 74 99 - 74 - 6.1=15, 1465/2.9=15...(14) * HB2 ARG 21 + H LYS 22 OK 64 100 - 64 - 4.5=39, 4.0/58=11...(9) HB3 ARG 21 + H LYS 22 OK 64 100 - 64 - 4.5=39, 4.0/58=11...(9) HB2 GLU 18 - H LYS 22 poor 10 60 - 16 - 3.0/961=9, 3.0/556=2...(5) HB3 GLU 18 - H LYS 22 poor 10 60 - 16 - 3.0/961=9, 3.0/556=2...(5) HB2 ARG 34 - H LYS 22 poor 7 63 - 10 - 1.8/62=2, 4.3/962=2, 4829/4.6=2 HB3 GLU 67 - H LYS 22 lone 6 99 - 6 - 4.0/959=2, 4.7/962=1 HD3 ARG 55 - H LYS 22 lone 2 100 - 2 - HG2 PRO 32 - H LYS 22 lone 1 92 - 1 - Peak 61 from nnoeabs.peaks (1.97, 8.03, 120.92 ppm; 3.26 A): 3 out of 10 assignments used, quality = 0.97: HD3 LYS 22 + H LYS 22 OK 73 98 - 74 - 6.1=15, 1465/2.9=14...(14) * HB3 ARG 21 + H LYS 22 OK 64 100 - 64 - 4.5=39, 4.0/58=11...(9) HB2 ARG 21 + H LYS 22 OK 64 100 - 64 - 4.5=39, 4.0/58=11...(9) HB2 GLU 18 - H LYS 22 OK 11 68 - 16 - 3.0/961=9, 3.0/556=2...(5) HB3 GLU 18 - H LYS 22 OK 11 68 - 16 - 3.0/961=9, 3.0/556=2...(5) HB3 GLU 67 - H LYS 22 lone 6 97 - 6 - 4.0/959=2, 4.7/962=1 HD3 ARG 55 - H LYS 22 lone 2 100 - 2 - HB3 GLN 63 - H LYS 22 lone 2 65 - 3 - HB2 MET 11 - H LYS 22 lone 2 65 - 2 - HG2 PRO 32 - H LYS 22 lone 1 96 - 1 - Peak 62 from nnoeabs.peaks (1.86, 8.03, 120.92 ppm; 4.34 A): 4 out of 8 assignments used, quality = 0.85: * HG2 ARG 21 + H LYS 22 OK 67 100 - 67 - 1373/3.6=23, 1372/4.6=18...(8) HB ILE 17 + H LYS 22 OK 25 81 - 32 - 549/4.6=6, 1352/3.6=6...(11) HG LEU 41 + H LYS 22 OK 25 99 - 26 - 1352/3.6=3, 3.0/63=3...(12) HB3 ARG 34 + H LYS 22 OK 18 100 - 18 - 4.3/962=4, 1352/3.6=2...(5) HB2 GLU 33 - H LYS 22 lone 6 73 - 9 - 4301/4.6=2, 4306/4255=2 HB3 LYS 49 - H LYS 22 lone 5 78 - 7 - 4.0/1021=1 HB3 MET 11 - H LYS 22 lone 4 73 - 5 - HB2 LYS 60 - H LYS 22 lone 3 73 - 3 - Peak 63 from nnoeabs.peaks (1.60, 8.03, 120.92 ppm; 4.83 A): 6 out of 10 assignments used, quality = 0.92: * HG3 ARG 21 + H LYS 22 OK 69 100 - 69 - 4.7/58=20, 1381/3.6=20...(8) HG2 ARG 61 + H LYS 22 OK 29 99 - 29 - 3395=5, 2.9/559=4...(9) HG3 ARG 61 + H LYS 22 OK 28 98 - 29 - 3395=5, 1.8/3395=4...(9) HB3 LEU 43 + H LYS 22 OK 26 100 - 26 - 4.0/58=5, 4160/6.1=4...(8) HB2 LEU 41 + H LYS 22 OK 25 95 - 26 - 3.0/62=6, 4.0/175=5...(10) HG3 ARG 34 + H LYS 22 OK 15 87 - 17 - 3.0/62=4, 3.0/560=2...(5) HB3 LEU 64 - H LYS 22 lone 7 95 - 7 - 3.8/959=1, 1.8/558=1 HG LEU 68 - H LYS 22 lone 7 97 - 7 - 4.9/962=3 HB3 LEU 68 - H LYS 22 lone 5 65 - 7 - 3.8/962=4 HB3 GLN 15 - H LYS 22 lone 4 60 - 6 - 4.0/927=2, 4.7/868=2 Peak 66 from nnoeabs.peaks (8.03, 8.99, 121.58 ppm; 3.84 A): 2 out of 6 assignments used, quality = 0.81: * H LYS 22 + H PHE 23 OK 77 100 - 77 - 4.6=57, 4.0/69=16...(8) H GLN 53 + H PHE 23 OK 20 100 - 20 - 753/4.3=5, 1043/3.6=5...(6) H GLN 47 - H PHE 23 poor 8 78 - 10 - 4.6/875=3, 1414/4.3=2...(5) H ILE 17 - H PHE 23 lone 7 83 - 8 - 3705/3706=2, 1414/4.3=2...(4) H ASN 40 - H PHE 23 lone 7 96 - 7 - 1444/5.0=2, 1414/4.3=1 H LEU 41 - H PHE 23 lone 3 65 - 5 - 175/4.6=1 Peak 67 from nnoeabs.peaks (4.35, 8.99, 121.58 ppm; 4.85 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 22 + H PHE 23 OK 100 100 - 100 - 3.6=100 Peak 68 from nnoeabs.peaks (2.06, 8.99, 121.58 ppm; 4.46 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 22 + H PHE 23 OK 100 100 - 100 - 4.3=100 Peak 69 from nnoeabs.peaks (2.38, 8.99, 121.58 ppm; 4.20 A): 1 out of 9 assignments used, quality = 0.97: * HB3 LYS 22 + H PHE 23 OK 97 100 - 97 - 4.3=95, 4.0/874=26...(5) HG3 GLN 53 - H PHE 23 lone 7 96 - 7 - 5.1/66=3, 556/4.6=2 HG2 GLU 45 - H PHE 23 lone 5 87 - 5 - 556/4.6=2 HG3 GLU 18 - H PHE 23 lone 4 65 - 6 - 3.9/965=2, 556/4.6=2 HG3 GLN 47 - H PHE 23 lone 3 76 - 4 - 5.1/66=1 HG2 MET 11 - H PHE 23 lone 2 99 - 2 - HG3 GLN 63 - H PHE 23 lone 2 83 - 3 - HG2 GLN 63 - H PHE 23 lone 2 78 - 3 - HD2 ARG 55 - H PHE 23 lone 1 65 - 2 - Peak 76 from nnoeabs.peaks (8.99, 8.13, 111.74 ppm; 3.94 A): 2 out of 2 assignments used, quality = 0.86: * H PHE 23 + H SER 24 OK 83 100 - 84 - 4.6=62, 4.0/78=20...(7) H SER 30 + H SER 24 OK 15 90 - 16 - 4633/4.4=3, 4.0/970=3...(6) Peak 77 from nnoeabs.peaks (4.76, 8.13, 111.74 ppm; 4.31 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 23 + H SER 24 OK 100 100 - 100 - 3.6=100 Peak 78 from nnoeabs.peaks (3.15, 8.13, 111.74 ppm; 3.99 A): 1 out of 4 assignments used, quality = 0.88: * HB2 PHE 23 + H SER 24 OK 88 100 - 88 - 4.6=67, 1.8/79=30...(7) HB3 TYR 57 - H SER 24 lone 6 96 - 6 - 1.8/79=2, 565/4.6=2 HD3 ARG 61 - H SER 24 lone 2 95 - 2 - HD2 ARG 61 - H SER 24 lone 2 95 - 2 - Peak 79 from nnoeabs.peaks (3.08, 8.13, 111.74 ppm; 4.40 A): 1 out of 3 assignments used, quality = 0.97: * HB3 PHE 23 + H SER 24 OK 97 100 - 97 - 4.6=90, 1.8/78=39...(7) HB2 TYR 57 - H SER 24 lone 7 92 - 7 - 1.8/78=3, 566/4.6=2 HB3 HIS 10 - H SER 24 lone 1 65 - 2 - Peak 81 from nnoeabs.peaks (7.06, 8.13, 111.74 ppm; 4.59 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 23 + H SER 24 OK 100 100 - 100 - 4.4=100 Peak 82 from nnoeabs.peaks (8.13, 7.63, 118.44 ppm; 4.08 A): 2 out of 5 assignments used, quality = 0.88: * H SER 24 + H HIS 25 OK 82 100 - 82 - 4.5=73, 572/4.4=13...(6) H LYS 27 + H HIS 25 OK 32 99 - 33 - 4.6/877=21, 4.7/1571=3...(5) H LEU 68 - H HIS 25 lone 6 92 - 7 - 3.0/4179=3, 4660/6.0=2 H THR 46 - H HIS 25 lone 5 92 - 6 - 4660/6.0=3 H ALA 35 - H HIS 25 lone 2 73 - 3 - Peak 83 from nnoeabs.peaks (4.08, 7.63, 118.44 ppm; 4.42 A): 1 out of 1 assignment used, quality = 1.00: * HA SER 24 + H HIS 25 OK 100 100 - 100 - 3.6=100 Peak 84 from nnoeabs.peaks (3.97, 7.63, 118.44 ppm; 4.43 A): 2 out of 2 assignments used, quality = 1.00: * HB2 SER 24 + H HIS 25 OK 100 100 - 100 - 4.4=100 HB3 SER 24 + H HIS 25 OK 100 100 - 100 - 4.4=100 Peak 85 from nnoeabs.peaks (3.97, 7.63, 118.44 ppm; 4.43 A): 2 out of 2 assignments used, quality = 1.00: * HB3 SER 24 + H HIS 25 OK 100 100 - 100 - 4.4=100 HB2 SER 24 + H HIS 25 OK 100 100 - 100 - 4.4=100 Peak 86 from nnoeabs.peaks (7.63, 8.51, 121.11 ppm; 3.28 A): 2 out of 2 assignments used, quality = 0.79: * H HIS 25 + H GLN 26 OK 64 100 - 64 - 877=40, 3.9/89=16...(9) HE22 GLN 26 + H GLN 26 OK 41 97 - 42 - 6.8=11, 3.5/582=9...(8) Peak 87 from nnoeabs.peaks (4.70, 8.51, 121.11 ppm; 4.45 A): 1 out of 1 assignment used, quality = 1.00: * HA HIS 25 + H GLN 26 OK 100 100 - 100 - 3.6=100 Peak 88 from nnoeabs.peaks (3.37, 8.51, 121.11 ppm; 4.08 A): 1 out of 1 assignment used, quality = 0.98: * HB2 HIS 25 + H GLN 26 OK 98 100 - 98 - 4.2=93, 1.8/89=40...(7) Peak 89 from nnoeabs.peaks (3.31, 8.51, 121.11 ppm; 3.91 A): 1 out of 2 assignments used, quality = 0.93: * HB3 HIS 25 + H GLN 26 OK 93 100 - 93 - 4.2=82, 1.8/88=35...(7) HB3 TRP 51 - H GLN 26 lone 1 90 - 1 - Peak 91 from nnoeabs.peaks (8.51, 8.12, 119.98 ppm; 4.64 A): 2 out of 2 assignments used, quality = 1.00: * H GLN 26 + H LYS 27 OK 100 100 - 100 - 4.6=100 H LEU 29 + H LYS 27 OK 45 100 - 45 - 4.5/99=23, 4.5/4663=18...(5) Peak 92 from nnoeabs.peaks (4.49, 8.12, 119.98 ppm; 2.84 A): 1 out of 1 assignment used, quality = 0.67: * HA GLN 26 + H LYS 27 OK 67 100 - 67 - 3.6=50, 2.9/91=7...(7) Peak 93 from nnoeabs.peaks (2.02, 8.12, 119.98 ppm; 3.77 A): 2 out of 10 assignments used, quality = 0.97: * HB2 GLN 26 + H LYS 27 OK 83 100 - 83 - 4.7=53, 3.0/92=37...(7) HB3 GLN 26 + H LYS 27 OK 83 100 - 83 - 4.7=53, 3.0/92=37...(7) HB3 ARG 56 - H LYS 27 lone 3 93 - 3 - 3.0/3713=2 HB2 GLU 45 - H LYS 27 lone 2 78 - 3 - HB3 GLU 45 - H LYS 27 lone 2 73 - 3 - HB3 GLU 18 - H LYS 27 lone 1 65 - 2 - HB2 GLU 18 - H LYS 27 lone 1 65 - 2 - HB3 GLU 20 - H LYS 27 lone 1 87 - 1 - HB3 GLN 63 - H LYS 27 lone 1 68 - 1 - HB2 MET 11 - H LYS 27 lone 1 68 - 1 - Peak 94 from nnoeabs.peaks (2.02, 8.12, 119.98 ppm; 3.77 A): 2 out of 10 assignments used, quality = 0.97: HB2 GLN 26 + H LYS 27 OK 83 100 - 83 - 4.7=53, 3.0/92=37...(7) * HB3 GLN 26 + H LYS 27 OK 83 100 - 83 - 4.7=53, 3.0/92=37...(7) HB3 ARG 56 - H LYS 27 lone 3 93 - 3 - 3.0/3713=2 HB2 GLU 45 - H LYS 27 lone 2 78 - 3 - HB3 GLU 45 - H LYS 27 lone 2 73 - 3 - HB3 GLU 18 - H LYS 27 lone 1 65 - 2 - HB2 GLU 18 - H LYS 27 lone 1 65 - 2 - HB3 GLU 20 - H LYS 27 lone 1 87 - 1 - HB3 GLN 63 - H LYS 27 lone 1 68 - 1 - HB2 MET 11 - H LYS 27 lone 1 68 - 1 - Peak 95 from nnoeabs.peaks (2.29, 8.12, 119.98 ppm; 4.17 A): 2 out of 7 assignments used, quality = 0.99: * HG2 GLN 26 + H LYS 27 OK 88 100 - 88 - 4.9=61, 3.9/92=34...(8) HG3 GLN 26 + H LYS 27 OK 88 100 - 88 - 4.9=61, 3.9/92=34...(8) HG2 GLN 15 - H LYS 27 lone 6 97 - 6 - 1168/4.6=2, 5.0/879=1 HG2 GLU 18 - H LYS 27 lone 3 96 - 3 - HB3 PRO 32 - H LYS 27 lone 2 83 - 2 - HG2 GLU 67 - H LYS 27 lone 2 99 - 2 - HB3 GLU 33 - H LYS 27 lone 1 60 - 2 - Peak 96 from nnoeabs.peaks (2.29, 8.12, 119.98 ppm; 4.17 A): 2 out of 7 assignments used, quality = 0.99: * HG3 GLN 26 + H LYS 27 OK 88 100 - 88 - 4.9=61, 3.9/92=34...(8) HG2 GLN 26 + H LYS 27 OK 88 100 - 88 - 4.9=61, 3.9/92=34...(8) HG2 GLN 15 - H LYS 27 lone 6 98 - 6 - 1168/4.6=2, 5.0/879=1 HG2 GLU 18 - H LYS 27 lone 3 95 - 3 - HB3 PRO 32 - H LYS 27 lone 2 85 - 2 - HG2 GLU 67 - H LYS 27 lone 2 98 - 2 - HB3 GLU 33 - H LYS 27 lone 2 63 - 2 - Peak 99 from nnoeabs.peaks (8.12, 7.50, 113.08 ppm; 3.87 A): 1 out of 8 assignments used, quality = 0.87: * H LYS 27 + H TYR 28 OK 87 100 - 87 - 4.6=58, 589/4.1=20...(10) H SER 24 - H TYR 28 lone 8 99 - 8 - 1616/4.1=2, 3419/4213=1 H THR 46 - H TYR 28 lone 4 78 - 5 - 1616/4.1=2 H LYS 27 - HD21 ASN 54 lone 3 55 - 6 - 879=2, 3.6/4213=1 H LEU 68 - H TYR 28 lone 2 78 - 3 - H SER 24 - HD21 ASN 54 lone 1 53 - 2 - 967/4.5=1 H THR 46 - HD21 ASN 54 lone 0 37 - 1 - H LEU 68 - HD21 ASN 54 lone 0 37 - 1 - Peak 100 from nnoeabs.peaks (3.90, 7.50, 113.08 ppm; 4.56 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 27 + H TYR 28 OK 100 100 - 100 - 3.6=100 Peak 101 from nnoeabs.peaks (1.42, 7.50, 113.08 ppm; 5.41 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 27 + H TYR 28 OK 100 100 - 100 - 4.1=100 Peak 102 from nnoeabs.peaks (1.56, 7.50, 113.08 ppm; 4.76 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 27 + H TYR 28 OK 100 100 - 100 - 4.1=100 Peak 109 from nnoeabs.peaks (7.50, 8.50, 122.84 ppm; 5.01 A): 1 out of 1 assignment used, quality = 1.00: * H TYR 28 + H LEU 29 OK 100 100 - 100 - 4.5=100 Peak 110 from nnoeabs.peaks (4.72, 8.50, 122.84 ppm; 3.27 A): 1 out of 2 assignments used, quality = 0.86: * HA TYR 28 + H LEU 29 OK 86 100 - 86 - 3.6=77, 3.0/111=16...(4) HA HIS 25 - H LEU 29 lone 2 83 - 2 - 2.9/877=2 Peak 111 from nnoeabs.peaks (2.95, 8.50, 122.84 ppm; 3.98 A): 2 out of 2 assignments used, quality = 0.87: * HB2 TYR 28 + H LEU 29 OK 84 100 - 84 - 4.7=63, 3.0/110=35...(4) HE3 LYS 22 + H LEU 29 OK 19 100 - 19 - 4811/4.8=18 Peak 112 from nnoeabs.peaks (2.72, 8.50, 122.84 ppm; 4.38 A): 1 out of 3 assignments used, quality = 0.94: * HB3 TYR 28 + H LEU 29 OK 94 100 - 94 - 4.7=84, 3.0/110=40, 1.8/3434=36 HD2 ARG 56 - H LEU 29 lone 3 100 - 3 - 3.0/605=2 HB3 ASN 40 - H LEU 29 lone 3 89 - 3 - 4430/5.2=2 Peak 114 from nnoeabs.peaks (7.13, 8.50, 122.84 ppm; 4.85 A): 1 out of 1 assignment used, quality = 1.00: * QD TYR 28 + H LEU 29 OK 100 100 - 100 - 4.5=100 Peak 116 from nnoeabs.peaks (4.58, 8.98, 118.86 ppm; 2.95 A): 2 out of 3 assignments used, quality = 0.88: * HA LEU 29 + H SER 30 OK 72 100 - 72 - 3.6=56, 3.0/117=14...(6) HA SER 30 + H SER 30 OK 57 57 - 100 - 3.0=100 HA SER 12 - H SER 30 lone 2 100 - 2 - Peak 117 from nnoeabs.peaks (1.24, 8.98, 118.86 ppm; 3.92 A): 1 out of 5 assignments used, quality = 0.92: * HB2 LEU 29 + H SER 30 OK 92 100 - 92 - 4.4=72, 3.0/3438=33...(9) HB2 LEU 43 - H SER 30 lone 6 89 - 7 - 4314/4259=2, 4308/4260=1 HG LEU 19 - H SER 30 lone 4 100 - 4 - 3.7/4104=2 HD2 LYS 27 - H SER 30 lone 2 96 - 2 - QG2 THR 46 - H SER 30 lone 2 99 - 2 - Peak 118 from nnoeabs.peaks (1.46, 8.98, 118.86 ppm; 4.32 A): 1 out of 7 assignments used, quality = 0.99: * HB3 LEU 29 + H SER 30 OK 99 100 - 99 - 4.4=96, 3.0/3438=38...(10) QB ALA 35 - H SER 30 poor 9 71 - 12 - 4346/4259=4, 4363/4260=4 HG LEU 43 - H SER 30 lone 5 97 - 5 - 3.0/117=2 HG3 ARG 56 - H SER 30 lone 3 99 - 3 - 605/4.5=1 HG3 LYS 58 - H SER 30 lone 2 99 - 2 - HG3 LYS 62 - H SER 30 lone 1 63 - 1 - HG2 LYS 62 - H SER 30 lone 1 63 - 1 - Peak 121 from nnoeabs.peaks (0.46, 8.98, 118.86 ppm; 4.05 A): 1 out of 1 assignment used, quality = 0.86: * QD2 LEU 29 + H SER 30 OK 86 100 - 86 - 1722/3.6=32, 3.1/117=26...(14) Peak 123 from nnoeabs.peaks (4.55, 9.18, 123.12 ppm; 3.66 A): 1 out of 1 assignment used, quality = 1.00: * HA SER 30 + H ALA 31 OK 100 100 - 100 - 3.6=100 Peak 124 from nnoeabs.peaks (4.01, 9.18, 123.12 ppm; 4.39 A): 1 out of 4 assignments used, quality = 0.99: * HB2 SER 30 + H ALA 31 OK 99 100 - 99 - 4.4=96, 611/4.6=24...(8) HA ALA 35 - H ALA 31 OK 17 60 - 29 - ~4284=10, ~3725=9...(4) HA TRP 51 - H ALA 31 lone 2 99 - 2 - HA LYS 42 - H ALA 31 lone 1 57 - 2 - Peak 125 from nnoeabs.peaks (4.22, 9.18, 123.12 ppm; 3.67 A): 1 out of 1 assignment used, quality = 0.95: HA ALA 31 + H ALA 31 OK 95 95 - 100 - 3.0=100 Reference assignment not found: HB3 SER 30 - H ALA 31 Peak 126 from nnoeabs.peaks (4.38, 7.21, 117.78 ppm; 4.77 A): 1 out of 1 assignment used, quality = 1.00: * HA PRO 32 + H GLU 33 OK 100 100 - 100 - 3.5=100 Peak 127 from nnoeabs.peaks (1.80, 7.21, 117.78 ppm; 3.96 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 32 + H GLU 33 OK 100 100 - 100 - 3.6=100 Peak 128 from nnoeabs.peaks (2.31, 7.21, 117.78 ppm; 3.18 A): 3 out of 7 assignments used, quality = 0.99: * HB3 PRO 32 + H GLU 33 OK 84 100 - 84 - 3.6=67, 3.0/3447=16...(8) HB3 GLU 33 + H GLU 33 OK 81 98 - 82 - 4.0=50, 3.0/1843=18...(11) HG2 GLU 33 + H GLU 33 OK 64 92 - 70 - 5.0=26, 1.8/1849=22...(10) HG2 GLU 67 - H GLU 33 lone 4 63 - 6 - 1.8/621=2, 2.8/130=1, 2.8/129=1 HG3 GLN 26 - H GLU 33 lone 2 85 - 2 - HG2 GLN 26 - H GLU 33 lone 2 83 - 2 - HG2 GLN 15 - H GLU 33 lone 1 97 - 1 - Peak 129 from nnoeabs.peaks (1.98, 7.21, 117.78 ppm; 4.84 A): 1 out of 10 assignments used, quality = 0.99: * HG2 PRO 32 + H GLU 33 OK 99 100 - 99 - 5.0=91, 1.8/3453=43...(6) HB3 GLU 67 - H GLU 33 OK 12 78 - 14 - 1.8/130=4, 2.8/621=3...(4) HB3 ARG 21 - H GLU 33 lone 9 96 - 10 - 1793/3.5=2, 3.0/618=2, ~1373=1 HB2 ARG 21 - H GLU 33 lone 9 92 - 10 - 1793/3.5=2, 3.0/618=2, ~1373=1 HB2 GLU 18 - H GLU 33 lone 5 93 - 6 - 3.0/972=2 HB3 GLU 18 - H GLU 33 lone 5 93 - 6 - 3.0/972=2 HD3 LYS 22 - H GLU 33 lone 4 81 - 4 - 4159/4254=1 HB3 GLN 63 - H GLU 33 lone 2 92 - 3 - HB2 MET 11 - H GLU 33 lone 2 92 - 2 - HD3 ARG 55 - H GLU 33 lone 2 97 - 2 - Peak 130 from nnoeabs.peaks (2.10, 7.21, 117.78 ppm; 4.45 A): 2 out of 6 assignments used, quality = 0.94: * HG3 PRO 32 + H GLU 33 OK 93 100 - 93 - 5.0=71, 2.3/3447=37...(6) HB2 GLU 67 + H GLU 33 OK 10 96 - 11 - 2.8/621=3, 1.8/129=3, 4.7/974=2 HB2 LYS 49 - H GLU 33 lone 4 60 - 6 - 1.8/618=2 HG3 GLU 45 - H GLU 33 lone 3 65 - 4 - 3520/979=2 HB VAL 16 - H GLU 33 lone 2 73 - 3 - 3663/3.5=2 HB2 GLN 63 - H GLU 33 lone 2 81 - 2 - Peak 131 from nnoeabs.peaks (3.91, 7.21, 117.78 ppm; 4.30 A): 2 out of 5 assignments used, quality = 0.93: * HD2 PRO 32 + H GLU 33 OK 92 100 - 92 - 3447=50, 1.8/3448=34...(8) HA THR 46 + H GLU 33 OK 12 98 - 13 - 2.9/974=3, 1795/3.5=2...(5) HA GLN 53 - H GLU 33 lone 3 71 - 5 - 3.0/621=2 HA LYS 27 - H GLU 33 lone 2 97 - 2 - HB2 SER 65 - H GLU 33 lone 1 87 - 1 - Peak 132 from nnoeabs.peaks (3.80, 7.21, 117.78 ppm; 4.69 A): 2 out of 5 assignments used, quality = 0.97: * HD3 PRO 32 + H GLU 33 OK 92 100 - 92 - 3448=50, 1.8/3447=44...(7) HA ARG 34 + H GLU 33 OK 66 97 - 67 - 2.9/133=44, 3.6/979=30...(7) HA GLN 15 - H GLU 33 lone 8 99 - 8 - 1148/3.6=2, 3672/5.0=1 HA THR 14 - H GLU 33 lone 2 95 - 2 - HA ILE 50 - H GLU 33 lone 2 68 - 3 - Peak 133 from nnoeabs.peaks (7.21, 8.73, 121.67 ppm; 3.33 A): 1 out of 1 assignment used, quality = 0.77: * H GLU 33 + H ARG 34 OK 77 100 - 77 - 883=41, 4.0/3455=16...(12) Peak 134 from nnoeabs.peaks (4.07, 8.73, 121.67 ppm; 4.38 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 33 + H ARG 34 OK 100 100 - 100 - 3.6=100 Peak 135 from nnoeabs.peaks (1.88, 8.73, 121.67 ppm; 3.06 A): 3 out of 6 assignments used, quality = 0.89: * HB2 GLU 33 + H ARG 34 OK 71 100 - 71 - 4.6=29, 4.0/133=16...(13) HB3 ARG 34 + H ARG 34 OK 57 73 - 77 - 3.9=49, 1.8/1863=26...(13) HB3 LYS 49 + H ARG 34 OK 13 100 - 13 - 4592/6.2=4, 4593/6.2=3 HG LEU 41 - H ARG 34 lone 6 90 - 7 - ~4454=2, ~4446=1 HB2 LYS 42 - H ARG 34 lone 6 99 - 6 - 4363/4346=1 HG2 ARG 21 - H ARG 34 lone 4 73 - 5 - Peak 136 from nnoeabs.peaks (2.32, 8.73, 121.67 ppm; 3.46 A): 3 out of 6 assignments used, quality = 0.97: * HB3 GLU 33 + H ARG 34 OK 80 100 - 80 - 4.6=42, 1.8/3455=28...(12) HG2 GLU 33 + H ARG 34 OK 71 99 - 71 - 3.0/3455=22, 1.8/138=19...(10) HB3 PRO 32 + H ARG 34 OK 48 98 - 49 - 3.6/133=23, 2.3/3726=13...(11) HG3 GLN 26 - H ARG 34 lone 4 63 - 7 - 4194/4315=2, 4223/4245=1...(4) HG2 GLN 26 - H ARG 34 lone 4 60 - 7 - 4194/4315=2, 4223/4245=1...(4) HG2 GLN 15 - H ARG 34 lone 3 85 - 3 - Peak 137 from nnoeabs.peaks (2.32, 8.73, 121.67 ppm; 3.46 A): 3 out of 4 assignments used, quality = 0.97: HB3 GLU 33 + H ARG 34 OK 80 99 - 80 - 4.6=42, 1.8/3455=28...(12) * HG2 GLU 33 + H ARG 34 OK 71 100 - 71 - 3.0/3455=22, 1.8/138=19...(10) HB3 PRO 32 + H ARG 34 OK 45 92 - 49 - 3.6/133=23, 2.3/3726=13...(10) HG2 GLN 15 - H ARG 34 lone 2 71 - 3 - Peak 138 from nnoeabs.peaks (2.23, 8.73, 121.67 ppm; 4.44 A): 2 out of 3 assignments used, quality = 0.91: * HG3 GLU 33 + H ARG 34 OK 90 100 - 90 - 3.0/3455=35, 3458=35...(8) HB3 GLN 53 + H ARG 34 OK 10 92 - 11 - 3807/2.9=2, ~4649=2...(6) HG3 GLU 67 - H ARG 34 lone 6 96 - 6 - 621/4.7=2, 1830/3.6=2, 2.8/624=1 Peak 139 from nnoeabs.peaks (8.73, 8.15, 120.97 ppm; 3.18 A): 1 out of 1 assignment used, quality = 0.76: * H ARG 34 + H ALA 35 OK 76 100 - 76 - 884=36, 1863/4.3=14...(15) Peak 140 from nnoeabs.peaks (3.79, 8.15, 120.97 ppm; 3.97 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 34 + H ALA 35 OK 100 100 - 100 - 3.6=100 Peak 141 from nnoeabs.peaks (1.94, 8.15, 120.97 ppm; 3.37 A): 3 out of 7 assignments used, quality = 0.82: * HB2 ARG 34 + H ALA 35 OK 77 100 - 77 - 4.3=48, 3.9/139=21...(10) HB3 LYS 39 + H ALA 35 OK 12 93 - 13 - 3.0/3731=4, 4354/3.0=3...(5) HB2 LYS 39 + H ALA 35 OK 12 90 - 13 - 3.0/3731=4, 4354/3.0=3...(5) HB2 ARG 21 - H ALA 35 poor 10 63 - 16 - 3.0/142=2, 3.0/3713=2...(7) HD3 LYS 22 - H ALA 35 lone 4 78 - 5 - HB3 GLU 67 - H ALA 35 lone 3 81 - 4 - HB ILE 50 - H ALA 35 lone 3 100 - 3 - ~4602=1 Peak 142 from nnoeabs.peaks (1.86, 8.15, 120.97 ppm; 3.81 A): 3 out of 8 assignments used, quality = 0.95: * HB3 ARG 34 + H ALA 35 OK 90 100 - 90 - 4.3=69, 1.8/141=27...(11) HB2 GLU 33 + H ALA 35 OK 41 73 - 55 - 4.6/139=21, 4.0/979=18...(8) HG2 ARG 21 + H ALA 35 OK 17 100 - 17 - 1.8/144=3, 2.9/4353=3...(6) HG LEU 41 - H ALA 35 lone 7 99 - 7 - 2114/989=2 HB ILE 17 - H ALA 35 lone 6 81 - 7 - 4.0/885=3, 3668/3.6=1 HB3 LYS 49 - H ALA 35 lone 4 78 - 4 - 625/4.6=1 HB3 MET 11 - H ALA 35 lone 1 73 - 2 - HB2 LYS 60 - H ALA 35 lone 1 73 - 2 - Peak 143 from nnoeabs.peaks (1.34, 8.15, 120.97 ppm; 4.17 A): 2 out of 6 assignments used, quality = 0.92: * HG2 ARG 34 + H ALA 35 OK 78 100 - 78 - 3.0/141=24, 4.9/139=23...(12) QB ALA 38 + H ALA 35 OK 66 100 - 66 - 3748/3.0=17, 4364/2.9=14...(13) HG3 LYS 42 - H ALA 35 OK 24 95 - 25 - 3747/3.0=6, ~3747=4...(8) HG2 LYS 42 - H ALA 35 OK 24 95 - 25 - 3747/3.0=6, ~3747=4...(8) HD3 LYS 27 - H ALA 35 lone 7 99 - 6 - 4364/2.9=1 HG2 LYS 58 - H ALA 35 lone 3 87 - 3 - Peak 144 from nnoeabs.peaks (1.59, 8.15, 120.97 ppm; 4.37 A): 5 out of 10 assignments used, quality = 0.92: * HG3 ARG 34 + H ALA 35 OK 79 100 - 79 - 4.9/139=26, 3.0/141=26...(12) QB ALA 31 + H ALA 35 OK 34 63 - 54 - 2.1/3725=20, 4.5/980=17...(7) HG3 ARG 21 + H ALA 35 OK 19 87 - 22 - 1.8/142=5, 2.9/4353=4...(6) HG LEU 37 + H ALA 35 OK 19 68 - 28 - 5.0/989=15, 1860/3.6=6...(4) HB3 LEU 43 + H ALA 35 OK 14 89 - 16 - 1860/3.6=5, 627/4.6=3...(5) HG2 LYS 49 - H ALA 35 lone 6 92 - 6 - 1860/3.6=1 HG3 ARG 61 - H ALA 35 lone 5 98 - 5 - HG2 ARG 61 - H ALA 35 lone 5 97 - 5 - HB3 LYS 27 - H ALA 35 lone 3 68 - 4 - HG LEU 68 - H ALA 35 lone 2 60 - 3 - Peak 147 from nnoeabs.peaks (8.15, 7.99, 118.30 ppm; 3.26 A): 1 out of 10 assignments used, quality = 0.66: * H ALA 35 + H HIS 36 OK 66 100 - 66 - 4.6=35, 2.9/149=24...(8) H THR 46 - H HIS 36 lone 8 98 - 8 - 989/4.7=2, 1914/3.7=2, 4.6/886=1 H ALA 35 - H ILE 17 poor 7 57 - 11 - 885=5, 2.9/3467=2, 4.6/977=1 H LEU 68 - H HIS 36 lone 4 98 - 4 - H SER 24 - H HIS 36 lone 2 73 - 2 - H ARG 61 - H HIS 36 lone 2 81 - 2 - H THR 46 - H ILE 17 lone 1 53 - 2 - H LEU 68 - H ILE 17 lone 1 53 - 2 - H ARG 61 - H ILE 17 lone 0 39 - 1 - H SER 24 - H ILE 17 lone 0 35 - 1 - Peak 148 from nnoeabs.peaks (3.98, 7.99, 118.30 ppm; 3.94 A): 1 out of 1 assignment used, quality = 1.00: * HA ALA 35 + H HIS 36 OK 100 100 - 100 - 3.6=100 Peak 149 from nnoeabs.peaks (1.49, 7.99, 118.30 ppm; 3.03 A): 1 out of 6 assignments used, quality = 0.68: * QB ALA 35 + H HIS 36 OK 68 100 - 68 - 3.7=54, 2.9/147=16...(7) QB ALA 35 - H ILE 17 lone 4 57 - 8 - 3467=3, 2.9/885=2 HB3 LEU 29 - H HIS 36 lone 4 71 - 5 - 4246/984=2, 632/4.6=1 HG LEU 43 - H HIS 36 lone 2 92 - 2 - HB3 LEU 29 - H ILE 17 lone 0 33 - 1 - HG LEU 43 - H ILE 17 lone 0 47 - 1 - Peak 150 from nnoeabs.peaks (7.99, 8.07, 120.69 ppm; 3.32 A): 2 out of 5 assignments used, quality = 0.75: * H HIS 36 + H LEU 37 OK 64 100 - 64 - 4.7=36, 4.0/152=9...(9) H ASN 40 + H LEU 37 OK 31 63 - 50 - 3758/3.0=8, 890=7...(12) H LEU 19 - H LEU 37 lone 7 99 - 7 - 4.6/887=2, 4438/2128=1 H ILE 17 - H LEU 37 lone 6 83 - 8 - 886=2 H LYS 60 - H LEU 37 lone 2 99 - 2 - Peak 151 from nnoeabs.peaks (4.32, 8.07, 120.69 ppm; 3.95 A): 1 out of 1 assignment used, quality = 1.00: * HA HIS 36 + H LEU 37 OK 100 100 - 100 - 3.6=100 Peak 152 from nnoeabs.peaks (3.19, 8.07, 120.69 ppm; 3.08 A): 2 out of 6 assignments used, quality = 0.77: * HB2 HIS 36 + H LEU 37 OK 52 100 - 52 - 4.6=29, 1.8/3469=12...(8) HB3 HIS 36 + H LEU 37 OK 52 100 - 52 - 4.6=29, 1.8/3469=12...(8) HD2 ARG 21 - H LEU 37 lone 3 95 - 3 - HB3 TYR 57 - H LEU 37 lone 2 81 - 2 - 4.7/992=1 HB2 HIS 10 - H LEU 37 lone 1 93 - 1 - HB2 HIS 13 - H LEU 37 lone 1 71 - 1 - Peak 153 from nnoeabs.peaks (3.19, 8.07, 120.69 ppm; 3.08 A): 2 out of 6 assignments used, quality = 0.77: HB2 HIS 36 + H LEU 37 OK 52 100 - 52 - 4.6=29, 1.8/3469=12...(8) * HB3 HIS 36 + H LEU 37 OK 52 100 - 52 - 4.6=29, 1.8/3469=12...(8) HD2 ARG 21 - H LEU 37 lone 3 96 - 3 - HB3 TYR 57 - H LEU 37 lone 2 78 - 2 - 4.7/992=1 HB2 HIS 10 - H LEU 37 lone 1 95 - 1 - HB2 HIS 13 - H LEU 37 lone 1 73 - 1 - Peak 155 from nnoeabs.peaks (8.07, 8.44, 119.33 ppm; 3.24 A): 3 out of 4 assignments used, quality = 0.92: * H LEU 37 + H ALA 38 OK 82 100 - 82 - 887=44, 4.0/3474=13...(17) H LEU 41 + H ALA 38 OK 39 97 - 41 - 4.6/1004=9, 1009/2.9=7...(12) H GLN 47 + H ALA 38 OK 25 92 - 28 - 217/3.6=4, 3765/2.9=3...(11) H ARG 55 - H ALA 38 lone 6 99 - 6 - 1951/4.4=1 Peak 156 from nnoeabs.peaks (4.06, 8.44, 119.33 ppm; 3.91 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 37 + H ALA 38 OK 100 100 - 100 - 3.6=100 Peak 157 from nnoeabs.peaks (1.66, 8.44, 119.33 ppm; 3.70 A): 4 out of 11 assignments used, quality = 0.95: * HB2 LEU 37 + H ALA 38 OK 90 100 - 90 - 4.4=58, 1.8/3474=29...(12) HD3 LYS 42 + H ALA 38 OK 24 100 - 24 - 1.8/158=6, 4.8/995=5...(7) HG3 LYS 22 + H ALA 38 OK 18 93 - 19 - 1.8/158=4, 1967/160=3...(10) HB2 LEU 64 + H ALA 38 OK 11 100 - 11 - 3473=4, 3.1/160=2...(4) HG13 ILE 50 - H ALA 38 poor 9 63 - 13 - 3.2/160=5, 4.0/996=3, 3.0/4399=2 HG LEU 64 - H ALA 38 lone 6 71 - 8 - 2.1/160=3, 3.0/3473=2 HD2 LYS 62 - H ALA 38 lone 2 99 - 2 - HD3 LYS 62 - H ALA 38 lone 2 100 - 2 - HD2 LYS 60 - H ALA 38 lone 2 99 - 2 - HD3 LYS 60 - H ALA 38 lone 2 99 - 2 - HB2 LEU 68 - H ALA 38 lone 1 63 - 2 - Peak 158 from nnoeabs.peaks (1.73, 8.44, 119.33 ppm; 3.29 A): 4 out of 7 assignments used, quality = 0.88: * HB3 LEU 37 + H ALA 38 OK 81 100 - 81 - 4.4=41, 1.8/3473=21...(12) HD2 LYS 42 + H ALA 38 OK 19 96 - 20 - 1.8/157=4, 4.8/995=4...(6) HG2 LYS 22 + H ALA 38 OK 12 87 - 14 - 1.8/157=3, 5.1/997=2...(6) HB3 LYS 58 + H ALA 38 OK 11 100 - 10 - 4.0/888=2, 2.8/647=2...(5) HB3 ARG 61 - H ALA 38 lone 7 100 - 7 - ~4688=3, 4406/2.9=1 HB2 ARG 56 - H ALA 38 lone 3 97 - 3 - HD2 LYS 49 - H ALA 38 lone 3 60 - 5 - Peak 159 from nnoeabs.peaks (1.56, 8.44, 119.33 ppm; 4.06 A): 2 out of 8 assignments used, quality = 0.95: * HG LEU 37 + H ALA 38 OK 90 100 - 90 - 2.1/160=28, 2.1/161=27...(15) HG3 LYS 39 + H ALA 38 OK 51 92 - 56 - 4.9/162=21, 5.0/1004=15...(8) HG3 ARG 34 - H ALA 38 OK 22 68 - 32 - 4.0/3744=16, 1.8/647=6...(7) HD2 LYS 58 - H ALA 38 OK 14 83 - 16 - 3.5/158=3, 653/4.5=3...(6) HD3 LYS 58 - H ALA 38 OK 14 83 - 16 - 3.5/158=3, 653/4.5=3...(6) HG2 LYS 49 - H ALA 38 OK 10 97 - 11 - 3.9/993=2, ~4407=1, 1941/3.6=1 QB ALA 31 - H ALA 38 lone 10 100 - 10 - 3.8/996=3, 4274/3744=3 HB3 LYS 27 - H ALA 38 lone 6 100 - 6 - Peak 160 from nnoeabs.peaks (0.92, 8.44, 119.33 ppm; 3.77 A): 2 out of 3 assignments used, quality = 0.89: * QD2 LEU 37 + H ALA 38 OK 86 100 - 86 - 2.1/161=24, 3.1/3474=23...(13) QG2 ILE 50 + H ALA 38 OK 22 100 - 22 - 3.2/996=4, 1942/3.6=4...(7) QD1 LEU 64 - H ALA 38 lone 9 96 - 9 - 3.1/3473=2, 1942/3.6=1...(4) Peak 161 from nnoeabs.peaks (0.96, 8.44, 119.33 ppm; 3.59 A): 2 out of 2 assignments used, quality = 0.94: * QD1 LEU 37 + H ALA 38 OK 89 100 - 89 - 3477=23, 2.1/160=23...(17) QG2 VAL 48 + H ALA 38 OK 46 97 - 47 - 4405/2.9=11, 4403/2.9=8...(11) Peak 162 from nnoeabs.peaks (8.44, 7.67, 116.42 ppm; 3.20 A): 1 out of 2 assignments used, quality = 0.71: * H ALA 38 + H LYS 39 OK 71 100 - 71 - 4.5=36, 1982/3.6=21...(13) H GLU 20 - H LYS 39 lone 4 65 - 6 - 1004/4.7=1, 1982/3.6=1 Peak 163 from nnoeabs.peaks (3.61, 7.67, 116.42 ppm; 4.00 A): 1 out of 1 assignment used, quality = 1.00: * HA ALA 38 + H LYS 39 OK 100 100 - 100 - 3.6=100 Peak 164 from nnoeabs.peaks (1.34, 7.67, 116.42 ppm; 3.00 A): 4 out of 6 assignments used, quality = 0.81: * QB ALA 38 + H LYS 39 OK 72 100 - 72 - 3.6=58, 2.9/162=21...(6) HG2 LYS 58 + H LYS 39 OK 14 92 - 15 - 1.8/2863=3, 3.0/653=2...(6) HG3 LYS 42 + H LYS 39 OK 10 97 - 10 - 3.9/1001=3, 4418/3.0=1 HG2 LYS 42 + H LYS 39 OK 10 97 - 10 - 3.9/1001=3, 4418/3.0=1 HG2 ARG 34 - H LYS 39 lone 9 100 - 9 - 647/4.5=2, 4576/2376=1 HD3 LYS 27 - H LYS 39 lone 6 97 - 6 - 3.0/4417=2 Peak 165 from nnoeabs.peaks (7.67, 8.02, 117.69 ppm; 3.21 A): 3 out of 5 assignments used, quality = 0.82: * H LYS 39 + H ASN 40 OK 74 100 - 74 - 4.7=33, 3.0/166=11...(17) H VAL 48 + H ASN 40 OK 19 98 - 20 - 4.0/4420=5, 3.0/1003=3...(6) H LYS 58 + H ASN 40 OK 12 100 - 12 - 2025/5.0=2, 4.9/4419=1 HE22 GLN 47 - H ASN 40 lone 7 99 - 7 - 1008/4.6=1 HE22 GLN 26 - H ASN 40 lone 1 60 - 1 - Peak 166 from nnoeabs.peaks (4.08, 8.02, 117.69 ppm; 3.49 A): 2 out of 8 assignments used, quality = 0.99: * HA LYS 39 + H ASN 40 OK 98 100 - 98 - 3.6=93, 3.0/165=19...(16) HA LEU 37 + H ASN 40 OK 51 78 - 65 - 3758=16, 3.6/1004=14...(13) HA ARG 21 - H ASN 40 OK 17 97 - 18 - 1007/4.6=2, 2.9/873=2...(7) HA ARG 56 - H ASN 40 lone 9 100 - 9 - 3843/4.7=2 HA GLU 33 - H ASN 40 lone 9 97 - 9 - 3737/4.6=1, 3762/3.9=1 HA LYS 58 - H ASN 40 poor 7 68 - 10 - 3.0/165=3, 4.0/4419=2...(5) HB THR 46 - H ASN 40 lone 6 78 - 7 - 4.5/890=2 HA SER 24 - H ASN 40 lone 3 100 - 3 - Peak 167 from nnoeabs.peaks (1.92, 8.02, 117.69 ppm; 3.05 A): 2 out of 4 assignments used, quality = 0.91: * HB2 LYS 39 + H ASN 40 OK 69 100 - 69 - 4.1=40, 3.9/165=11...(13) HB3 LYS 39 + H ASN 40 OK 69 100 - 69 - 4.1=40, 3.9/165=11...(13) HB2 ARG 34 - H ASN 40 lone 4 90 - 5 - HB ILE 50 - H ASN 40 lone 4 93 - 4 - Peak 168 from nnoeabs.peaks (1.92, 8.02, 117.69 ppm; 3.05 A): 2 out of 4 assignments used, quality = 0.91: * HB3 LYS 39 + H ASN 40 OK 69 100 - 69 - 4.1=40, 3.9/165=11...(13) HB2 LYS 39 + H ASN 40 OK 69 100 - 69 - 4.1=40, 3.9/165=11...(13) HB2 ARG 34 - H ASN 40 lone 4 93 - 5 - HB ILE 50 - H ASN 40 lone 4 96 - 4 - Peak 169 from nnoeabs.peaks (1.43, 8.02, 117.69 ppm; 4.36 A): 2 out of 9 assignments used, quality = 0.97: * HG2 LYS 39 + H ASN 40 OK 92 100 - 92 - 5.0=67, 2.9/167=20...(13) HB3 LEU 41 + H ASN 40 OK 65 100 - 65 - 4.0/175=25, 4423/3.0=13...(13) HG3 LYS 58 - H ASN 40 OK 16 73 - 22 - 1.8/4419=5, 2863/4.7=3...(8) HB2 LYS 27 - H ASN 40 OK 13 96 - 13 - 4198/3.9=2, 1.8/170=2...(8) HG2 LYS 62 - H ASN 40 OK 10 100 - 10 - 3483=2, 1.8/3483=2...(4) HG3 LYS 62 - H ASN 40 OK 10 100 - 10 - 3483=2, 1.8/3483=2...(4) HG3 LYS 60 - H ASN 40 OK 10 100 - 10 - 3483=2, 1.8/3483=1...(4) HG2 LYS 60 - H ASN 40 OK 10 100 - 10 - 3483=2, 1.8/3483=1...(4) HG3 ARG 56 - H ASN 40 lone 6 76 - 7 - 3.8/166=2, 3.0/661=1 Peak 170 from nnoeabs.peaks (1.54, 8.02, 117.69 ppm; 4.46 A): 2 out of 7 assignments used, quality = 0.97: * HG3 LYS 39 + H ASN 40 OK 94 100 - 94 - 5.0=72, 2.9/167=21...(13) HG LEU 37 + H ASN 40 OK 50 92 - 55 - 2.1/4420=21, 4.3/3758=17...(9) HD2 LYS 58 - H ASN 40 OK 19 100 - 19 - 3.0/4419=5, 653/4.7=4...(5) HD3 LYS 58 - H ASN 40 OK 19 100 - 19 - 3.0/4419=5, 653/4.7=4...(5) HB3 LYS 27 - H ASN 40 OK 11 92 - 12 - 1.8/169=2, 4197/3.9=2...(6) HG2 LYS 49 - H ASN 40 poor 7 68 - 11 - 3.9/1006=3, 3.0/4852=1...(4) QB ALA 31 - H ASN 40 lone 4 95 - 4 - Peak 175 from nnoeabs.peaks (8.02, 8.06, 116.05 ppm; 2.62 A): 1 out of 5 assignments used, quality = 0.56: * H ASN 40 + H LEU 41 OK 56 100 - 56 - 890=26, 660/4.2=10...(12) H LYS 22 - H LEU 41 lone 9 96 - 10 - 3.6/1007=1, 2081/4.2=1...(4) H GLN 53 - H LEU 41 lone 6 90 - 6 - 1043/3.0=1 H ILE 17 - H LEU 41 lone 6 99 - 6 - 936/3.6=1 H HIS 36 - H LEU 41 lone 5 63 - 9 - 886=2, 3.6/4441=2 Peak 176 from nnoeabs.peaks (4.37, 8.06, 116.05 ppm; 3.61 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 40 + H LEU 41 OK 100 100 - 100 - 3.6=100 Peak 177 from nnoeabs.peaks (2.76, 8.06, 116.05 ppm; 3.82 A): 1 out of 2 assignments used, quality = 0.93: * HB2 ASN 40 + H LEU 41 OK 93 100 - 93 - 4.2=77, 1.8/178=32...(11) HE3 LYS 27 - H LEU 41 lone 4 100 - 3 - 660/4.6=1 Peak 178 from nnoeabs.peaks (2.70, 8.06, 116.05 ppm; 4.01 A): 1 out of 3 assignments used, quality = 0.97: * HB3 ASN 40 + H LEU 41 OK 97 100 - 97 - 4.2=88, 1.8/177=39...(10) HD2 ARG 56 - H LEU 41 lone 6 96 - 6 - 5.1/1007=1 HB3 TYR 28 - H LEU 41 lone 3 89 - 3 - Peak 181 from nnoeabs.peaks (8.06, 7.90, 117.73 ppm; 3.15 A): 3 out of 6 assignments used, quality = 0.77: * H LEU 41 + H LYS 42 OK 65 100 - 65 - 891=36, 4434/4.4=8...(10) H LEU 37 + H LYS 42 OK 22 97 - 23 - 3.0/4466=3, 2107/4.6=3...(12) H GLN 47 + H LYS 42 OK 14 100 - 14 - 4499/4.4=3, 4541/4.0=3...(6) H LYS 22 - H LYS 42 poor 8 65 - 13 - 3.6/4466=3, 4.6/892=3 H GLN 53 - H LYS 42 lone 4 76 - 5 - 1043/3.6=1 H ARG 55 - H LYS 42 lone 3 87 - 4 - Peak 182 from nnoeabs.peaks (4.34, 7.90, 117.73 ppm; 3.89 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 41 + H LYS 42 OK 100 100 - 100 - 3.6=100 Peak 183 from nnoeabs.peaks (1.62, 7.90, 117.73 ppm; 4.21 A): 2 out of 11 assignments used, quality = 0.95: * HB2 LEU 41 + H LYS 42 OK 93 100 - 93 - 4.6=75, 4.0/891=27...(7) HB3 LEU 43 + H LYS 42 OK 31 93 - 33 - 4.0/188=29, 666/4.6=3 HG LEU 68 - H LYS 42 OK 18 100 - 18 - 2.1/3651=6, 2.1/3651=6...(5) HG3 ARG 21 - H LYS 42 OK 17 95 - 18 - 3.9/4466=5, 4.7/892=5...(5) HB3 LEU 68 - H LYS 42 OK 14 93 - 15 - 3.1/3651=5, 3.1/3651=5 HB2 LEU 68 - H LYS 42 OK 12 85 - 14 - 3.1/3651=5, 3.1/3651=5 HB3 LEU 64 - H LYS 42 OK 10 100 - 10 - 3.1/3651=3, 1.8/678=2 HB3 GLN 15 - H LYS 42 lone 8 90 - 9 - 4027/187=2, 4.0/15=2...(5) HG LEU 64 - H LYS 42 lone 6 78 - 7 - 2.1/3651=4, 3.0/678=1 HG2 ARG 61 - H LYS 42 lone 3 81 - 4 - HG3 ARG 61 - H LYS 42 lone 3 78 - 4 - Peak 184 from nnoeabs.peaks (1.43, 7.90, 117.73 ppm; 4.56 A): 1 out of 10 assignments used, quality = 0.99: * HB3 LEU 41 + H LYS 42 OK 99 100 - 99 - 4.6=95, 4.0/891=31...(10) HG2 LYS 39 - H LYS 42 OK 29 100 - 29 - 3.9/4893=20, 667/4.6=6...(4) HG2 LYS 62 - H LYS 42 OK 10 99 - 10 - 3.0/2195=3, 3.0/2195=3...(4) HG3 LYS 62 - H LYS 42 OK 10 99 - 10 - 3.0/2195=3, 3.0/2195=3...(4) HG3 ARG 56 - H LYS 42 poor 8 68 - 12 - ~4877=4, 3.8/4466=2...(4) HG3 LYS 60 - H LYS 42 lone 7 100 - 7 - 2.9/2195=2, 2.9/2195=2 HG2 LYS 60 - H LYS 42 lone 7 100 - 7 - 2.9/2195=2, 2.9/2195=2 HG3 LYS 58 - H LYS 42 lone 6 65 - 8 - 1.8/2175=2, 2.8/677=1 HG3 LYS 49 - H LYS 42 lone 4 60 - 7 - 3.0/673=1, 3.0/677=1, 3.0/677=1 HB2 LYS 27 - H LYS 42 lone 3 98 - 3 - 667/4.6=1 Peak 185 from nnoeabs.peaks (1.87, 7.90, 117.73 ppm; 3.94 A): 3 out of 7 assignments used, quality = 0.92: HB2 LYS 42 + H LYS 42 OK 76 76 - 100 - 4.0=98, 3.0/672=32...(14) * HG LEU 41 + H LYS 42 OK 63 100 - 63 - 2.1/186=23, 2.1/187=21...(6) HG2 ARG 21 + H LYS 42 OK 16 99 - 16 - 3.9/4466=4, 4.7/892=4...(5) HB2 GLU 33 - H LYS 42 poor 10 90 - 10 - 3.0/4893=6, 668/4.6=1, 190/4.4=1 HB3 LYS 49 - H LYS 42 lone 5 93 - 6 - HB3 ARG 34 - H LYS 42 lone 5 99 - 5 - 668/4.6=1 HB ILE 17 - H LYS 42 lone 2 60 - 4 - 3.2/187=1 Peak 186 from nnoeabs.peaks (0.75, 7.90, 117.73 ppm; 4.59 A): 2 out of 2 assignments used, quality = 0.83: * QD2 LEU 41 + H LYS 42 OK 80 100 - 80 - 2098/3.6=38, 4.8/891=26...(7) HG LEU 29 + H LYS 42 OK 16 99 - 16 - 669/4.6=5, 2098/3.6=4...(4) Peak 187 from nnoeabs.peaks (0.72, 7.90, 117.73 ppm; 4.66 A): 1 out of 4 assignments used, quality = 0.80: * QD1 LEU 41 + H LYS 42 OK 80 100 - 80 - 2099/3.6=35, 4.8/891=27...(7) HB2 LEU 19 - H LYS 42 lone 10 97 - 10 - 2099/3.6=3, 670/4.6=3 HG LEU 29 - H LYS 42 poor 9 78 - 12 - 670/4.6=3, 2098/3.6=3...(4) QD1 ILE 17 - H LYS 42 lone 5 85 - 6 - 670/4.6=1 Peak 188 from nnoeabs.peaks (7.90, 8.33, 119.56 ppm; 3.24 A): 1 out of 3 assignments used, quality = 0.70: * H LYS 42 + H LEU 43 OK 70 100 - 70 - 4.4=39, 3.0/189=21...(12) H THR 14 - H LEU 43 lone 2 95 - 2 - H GLY 69 - H LEU 43 lone 1 100 - 1 - Peak 189 from nnoeabs.peaks (3.98, 8.33, 119.56 ppm; 3.06 A): 2 out of 6 assignments used, quality = 0.82: * HA LYS 42 + H LEU 43 OK 80 100 - 80 - 3.6=63, 3.0/188=22...(8) HA ALA 35 + H LEU 43 OK 12 100 - 12 - 2.1/685=3, 3748/4394=2...(5) HA GLN 47 - H LEU 43 lone 7 78 - 9 - 3.0/4499=4, 4542/4.0=3 HB3 SER 24 - H LEU 43 lone 2 98 - 2 - HB2 SER 24 - H LEU 43 lone 2 97 - 2 - HB2 SER 30 - H LEU 43 lone 0 57 - 1 - Peak 190 from nnoeabs.peaks (1.89, 8.33, 119.56 ppm; 4.46 A): 1 out of 4 assignments used, quality = 0.97: * HB2 LYS 42 + H LEU 43 OK 97 100 - 97 - 4.7=88, 3.0/189=34...(8) HG LEU 41 - H LEU 43 OK 38 76 - 51 - 5.2/4434=14, 2.1/4471=14...(8) HB2 GLU 33 - H LEU 43 OK 15 99 - 15 - 4308/4.0=4, 3.0/4486=3...(5) HB3 LYS 49 - H LEU 43 lone 6 98 - 6 - Peak 191 from nnoeabs.peaks (2.15, 8.33, 119.56 ppm; 4.90 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 42 + H LEU 43 OK 100 100 - 100 - 4.7=100 Peak 192 from nnoeabs.peaks (1.35, 8.33, 119.56 ppm; 3.77 A): 3 out of 7 assignments used, quality = 0.95: QB ALA 38 + H LEU 43 OK 69 97 - 71 - 2.1/4485=26, 4394=23...(13) * HG2 LYS 42 + H LEU 43 OK 61 100 - 61 - 3.9/189=21, 4.9/188=18...(6) HG3 LYS 42 + H LEU 43 OK 61 100 - 61 - 3.9/189=21, 4.9/188=18...(6) HG2 ARG 34 - H LEU 43 OK 11 95 - 12 - 4473/4.0=3, 4475/4.0=2...(4) HG2 LYS 58 - H LEU 43 lone 6 100 - 6 - 1.8/685=1 HD3 LYS 27 - H LEU 43 lone 4 81 - 5 - 1.8/683=1 HG13 ILE 17 - H LEU 43 lone 2 81 - 2 - Peak 193 from nnoeabs.peaks (1.35, 8.33, 119.56 ppm; 3.77 A): 3 out of 7 assignments used, quality = 0.95: QB ALA 38 + H LEU 43 OK 69 97 - 71 - 2.1/4485=26, 4394=23...(13) HG2 LYS 42 + H LEU 43 OK 61 100 - 61 - 3.9/189=21, 4.9/188=18...(6) * HG3 LYS 42 + H LEU 43 OK 61 100 - 61 - 3.9/189=21, 4.9/188=18...(6) HG2 ARG 34 - H LEU 43 OK 11 95 - 12 - 4473/4.0=3, 4475/4.0=2...(4) HG2 LYS 58 - H LEU 43 lone 6 100 - 6 - 1.8/685=1 HD3 LYS 27 - H LEU 43 lone 4 81 - 5 - 1.8/683=1 HG13 ILE 17 - H LEU 43 lone 2 81 - 2 - Peak 198 from nnoeabs.peaks (8.33, 8.84, 109.64 ppm; 5.27 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 43 + H THR 44 OK 100 100 - 100 - 4.5=100 Peak 199 from nnoeabs.peaks (4.87, 8.84, 109.64 ppm; 3.46 A): 1 out of 1 assignment used, quality = 0.97: * HA LEU 43 + H THR 44 OK 97 100 - 97 - 3.6=91, 3.0/3509=23...(6) Peak 200 from nnoeabs.peaks (1.23, 8.84, 109.64 ppm; 4.18 A): 1 out of 6 assignments used, quality = 0.98: * HB2 LEU 43 + H THR 44 OK 98 100 - 98 - 4.6=76, 1.8/3509=41...(15) QG2 THR 46 - H THR 44 OK 20 71 - 29 - 4.3/4562=22, 4547/4563=2...(5) HG LEU 19 - H THR 44 OK 19 92 - 21 - 4109/4.7=14, 683/4.5=3 HB2 LEU 29 - H THR 44 lone 9 89 - 10 - 1.8/202=3, 683/4.5=2 HD2 LYS 27 - H THR 44 lone 6 100 - 6 - 2.9/204=1 QG2 THR 14 - H THR 44 lone 3 87 - 3 - Peak 201 from nnoeabs.peaks (1.60, 8.84, 109.64 ppm; 3.46 A): 2 out of 9 assignments used, quality = 0.90: * HB3 LEU 43 + H THR 44 OK 88 100 - 88 - 4.6=43, 3.0/199=27...(15) HB2 LEU 41 + H THR 44 OK 17 93 - 18 - 4820/4.7=9, 684/4.5=4 HG LEU 68 - H THR 44 lone 9 96 - 9 - 2.1/203=3, 2.1/203=3 HG3 ARG 34 - H THR 44 lone 5 89 - 5 - 4575/4505=1 HB3 LEU 64 - H THR 44 lone 4 93 - 4 - 3.1/203=1 HB3 LEU 68 - H THR 44 lone 4 63 - 7 - 3.1/203=2, 3.1/203=2 HG3 ARG 21 - H THR 44 lone 3 100 - 3 - 684/4.5=1 HG2 ARG 61 - H THR 44 lone 2 99 - 2 - HG3 ARG 61 - H THR 44 lone 2 99 - 2 - Peak 202 from nnoeabs.peaks (1.47, 8.84, 109.64 ppm; 4.60 A): 1 out of 5 assignments used, quality = 0.96: * HG LEU 43 + H THR 44 OK 96 100 - 96 - 2.1/3511=44, 3510=41...(9) HB3 LEU 29 - H THR 44 OK 12 97 - 12 - 685/4.5=3, 2229/3.6=3...(4) QB ALA 35 - H THR 44 OK 12 92 - 13 - 685/4.5=3, 4364/4396=3...(4) HG3 LYS 58 - H THR 44 lone 6 89 - 6 - 2229/3.6=1, 685/4.5=1 HG3 ARG 56 - H THR 44 lone 2 87 - 3 - Peak 203 from nnoeabs.peaks (0.85, 8.84, 109.64 ppm; 3.98 A): 1 out of 4 assignments used, quality = 0.95: * QD2 LEU 43 + H THR 44 OK 95 100 - 95 - 4.7=60, 2254/3.6=32...(13) QD2 LEU 68 - H THR 44 OK 15 100 - 15 - 2.1/201=3, 686/4.5=2...(8) QD1 LEU 68 - H THR 44 OK 13 99 - 14 - 2.1/201=3, 686/4.5=2...(7) QD2 LEU 64 - H THR 44 lone 8 99 - 8 - 686/4.5=1, 2230/3.6=1...(4) Peak 204 from nnoeabs.peaks (0.66, 8.84, 109.64 ppm; 4.56 A): 1 out of 3 assignments used, quality = 0.99: * QD1 LEU 43 + H THR 44 OK 99 100 - 99 - 4.7=90, 2.1/3511=43...(14) HB2 ARG 55 - H THR 44 lone 7 100 - 7 - 4551/4564=1, 687/4.5=1 HG2 LYS 27 - H THR 44 lone 5 76 - 6 - 2.9/200=1, 4549/4563=1 Peak 206 from nnoeabs.peaks (4.65, 9.24, 121.30 ppm; 3.23 A): 1 out of 2 assignments used, quality = 0.87: * HA THR 44 + H GLU 45 OK 87 100 - 87 - 3.6=74, 3.0/207=23...(6) HA MET 11 - H GLU 45 lone 4 99 - 3 - Peak 207 from nnoeabs.peaks (4.78, 9.24, 121.30 ppm; 3.34 A): 1 out of 2 assignments used, quality = 0.75: * HB THR 44 + H GLU 45 OK 75 100 - 75 - 4.4=43, 3.0/3513=26...(6) HA PHE 23 - H GLU 45 lone 2 65 - 4 - 4799/4.6=2 Peak 208 from nnoeabs.peaks (1.28, 9.24, 121.30 ppm; 4.17 A): 1 out of 3 assignments used, quality = 1.00: * QG2 THR 44 + H GLU 45 OK 100 100 - 100 - 4.2=100 QG2 THR 59 - H GLU 45 lone 5 97 - 5 - 691/4.6=4 HG12 ILE 50 - H GLU 45 lone 2 99 - 2 - Peak 209 from nnoeabs.peaks (9.24, 8.14, 115.25 ppm; 3.77 A): 1 out of 1 assignment used, quality = 0.82: * H GLU 45 + H THR 46 OK 82 100 - 82 - 4.6=54, 3.6/4531=20...(8) Peak 210 from nnoeabs.peaks (3.64, 8.14, 115.25 ppm; 4.23 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 45 + H THR 46 OK 100 100 - 100 - 3.6=100 Peak 211 from nnoeabs.peaks (2.04, 8.14, 115.25 ppm; 3.47 A): 4 out of 9 assignments used, quality = 0.90: * HB2 GLU 45 + H THR 46 OK 61 100 - 61 - 4.6=42, 4.0/209=18...(5) HB3 GLU 45 + H THR 46 OK 61 100 - 61 - 4.6=42, 4.0/209=18...(5) HG3 GLU 45 + H THR 46 OK 21 65 - 33 - 4.7/209=15, 1.8/213=10...(4) HB2 LYS 22 + H THR 46 OK 13 96 - 14 - 4.0/962=4, 1.8/213=3...(5) HB3 GLN 26 - H THR 46 lone 2 78 - 2 - HB2 GLN 26 - H THR 46 lone 2 78 - 2 - HB3 GLU 20 - H THR 46 lone 2 100 - 2 - HB3 ARG 56 - H THR 46 lone 2 99 - 2 - HB VAL 16 - H THR 46 lone 1 57 - 1 - Peak 212 from nnoeabs.peaks (2.05, 8.14, 115.25 ppm; 3.47 A): 4 out of 9 assignments used, quality = 0.90: * HB3 GLU 45 + H THR 46 OK 61 100 - 61 - 4.6=42, 4.0/209=18...(5) HB2 GLU 45 + H THR 46 OK 61 100 - 61 - 4.6=42, 4.0/209=18...(5) HG3 GLU 45 + H THR 46 OK 24 71 - 34 - 4.7/209=15, 1.8/213=10...(4) HB2 LYS 22 + H THR 46 OK 14 97 - 14 - 4.0/962=4, 1.8/213=3...(5) HB3 GLU 20 - H THR 46 lone 2 99 - 2 - HB2 GLN 26 - H THR 46 lone 2 73 - 2 - HB3 GLN 26 - H THR 46 lone 2 73 - 2 - HB3 ARG 56 - H THR 46 lone 2 97 - 2 - HB VAL 16 - H THR 46 lone 1 63 - 1 - Peak 213 from nnoeabs.peaks (2.40, 8.14, 115.25 ppm; 4.71 A): 3 out of 7 assignments used, quality = 0.89: * HG2 GLU 45 + H THR 46 OK 78 100 - 78 - 4.7/209=29, 2298/3.6=24...(9) HG3 GLN 47 + H THR 46 OK 37 100 - 38 - 5.1/215=21, 4556/4.0=7...(5) HB3 LYS 22 + H THR 46 OK 21 87 - 24 - 4.0/962=8, 1.8/214=4...(6) HG2 MET 11 - H THR 46 poor 10 96 - 10 - 707/4.6=3, 3.8/4531=2...(4) HG3 GLU 18 - H THR 46 lone 4 98 - 4 - 707/4.6=1 HD2 ARG 55 - H THR 46 lone 3 98 - 3 - HG3 GLU 20 - H THR 46 lone 2 71 - 3 - Peak 214 from nnoeabs.peaks (2.07, 8.14, 115.25 ppm; 3.50 A): 4 out of 8 assignments used, quality = 0.83: HB3 GLU 45 + H THR 46 OK 44 71 - 62 - 4.6=43, 4.0/209=19...(5) * HG3 GLU 45 + H THR 46 OK 41 100 - 41 - 4.7/209=15, 2304/3.6=15...(4) HB2 GLU 45 + H THR 46 OK 40 65 - 62 - 4.6=43, 4.0/209=19...(5) HB2 LYS 22 + H THR 46 OK 13 92 - 14 - 4.0/962=5, 1.8/213=3...(5) HG3 PRO 32 - H THR 46 lone 3 65 - 4 - 3.8/3727=2, 5.0/974=1 HB2 GLU 67 - H THR 46 lone 2 92 - 2 - HB VAL 16 - H THR 46 lone 1 100 - 1 - HB2 GLN 63 - H THR 46 lone 1 99 - 1 - Peak 215 from nnoeabs.peaks (8.14, 8.05, 120.26 ppm; 3.53 A): 2 out of 6 assignments used, quality = 0.73: * H THR 46 + H GLN 47 OK 70 100 - 70 - 4.6=44, 2313/4.5=14...(8) H ALA 35 + H GLN 47 OK 10 98 - 10 - 3.0/3745=2, 3.6/3739=2...(4) H SER 24 - H GLN 47 lone 4 92 - 4 - 2313/4.5=1 H LYS 27 - H GLN 47 lone 2 78 - 2 - H LEU 68 - H GLN 47 lone 2 100 - 2 - H ARG 61 - H GLN 47 lone 1 57 - 2 - Peak 216 from nnoeabs.peaks (3.90, 8.05, 120.26 ppm; 4.06 A): 1 out of 1 assignment used, quality = 1.00: * HA THR 46 + H GLN 47 OK 100 100 - 100 - 3.6=100 Peak 217 from nnoeabs.peaks (4.06, 8.05, 120.26 ppm; 3.48 A): 4 out of 8 assignments used, quality = 0.81: * HB THR 46 + H GLN 47 OK 65 100 - 65 - 4.5=47, 2.1/218=18...(4) HA LEU 37 + H GLN 47 OK 29 100 - 29 - 3.8/4539=6, 3.0/1951=4...(9) HA LYS 39 + H GLN 47 OK 16 78 - 20 - 3.0/1002=6, 3737=4...(6) HA ARG 21 + H GLN 47 OK 10 97 - 11 - 3713/4.6=2, 3714/3.0=2 HA ARG 56 - H GLN 47 poor 8 83 - 10 - 3714/3.0=2, 3.0/279=2...(4) HA GLU 33 - H GLN 47 lone 4 96 - 5 - 700/4.6=1, 3737=1 HA SER 24 - H GLN 47 lone 3 87 - 3 - 3.0/215=1 HB THR 14 - H GLN 47 lone 2 92 - 2 - Peak 218 from nnoeabs.peaks (1.25, 8.05, 120.26 ppm; 3.69 A): 4 out of 5 assignments used, quality = 0.93: * QG2 THR 46 + H GLN 47 OK 87 100 - 87 - 4.3=64, 2.1/3522=23...(10) HB2 LEU 43 + H GLN 47 OK 32 71 - 46 - 4.6/4562=16, 4487/4.0=10...(8) HG LEU 19 + H GLN 47 OK 11 97 - 11 - 4553/4.0=2, 4542/3.0=2...(4) HB2 LEU 29 + H GLN 47 OK 11 99 - 11 - 4542/3.0=2, 4553/4.0=2...(4) HD2 LYS 27 - H GLN 47 poor 10 83 - 11 - 1647/3.6=3, 701/4.6=2...(5) Peak 219 from nnoeabs.peaks (8.05, 7.68, 118.72 ppm; 3.67 A): 4 out of 6 assignments used, quality = 0.94: * H GLN 47 + H VAL 48 OK 86 100 - 86 - 4.6=52, 4.0/221=20...(13) H LEU 41 + H VAL 48 OK 31 100 - 31 - 4465/4.0=7, 1009/3.0=6...(9) H LEU 37 + H VAL 48 OK 27 92 - 30 - 992=5, 4.5/714=5...(9) H LYS 22 + H VAL 48 OK 14 78 - 18 - 960/3.0=4, 4147/4.0=3...(6) H ARG 55 - H VAL 48 lone 7 76 - 9 - 3.0/3838=3, 4.5/1059=2 H GLN 53 - H VAL 48 lone 5 87 - 6 - 1021/4.6=2 Peak 220 from nnoeabs.peaks (3.96, 7.68, 118.72 ppm; 4.46 A): 1 out of 1 assignment used, quality = 1.00: * HA GLN 47 + H VAL 48 OK 100 100 - 100 - 3.6=100 Peak 221 from nnoeabs.peaks (2.58, 7.68, 118.72 ppm; 3.96 A): 1 out of 1 assignment used, quality = 0.80: * HB2 GLN 47 + H VAL 48 OK 80 100 - 80 - 4.7=62, 704/4.6=24...(6) Peak 222 from nnoeabs.peaks (1.83, 7.68, 118.72 ppm; 4.24 A): 1 out of 8 assignments used, quality = 0.94: * HB3 GLN 47 + H VAL 48 OK 94 100 - 94 - 4.7=76, 1.8/221=42...(10) HD2 LYS 22 - H VAL 48 OK 29 99 - 29 - 4156/4.0=7, ~4569=5...(9) HB3 MET 11 - H VAL 48 OK 14 98 - 14 - 3.0/4732=5, 3.0/224=2...(5) HB2 LYS 58 - H VAL 48 lone 6 73 - 8 - 2.8/2863=2, 2.8/4568=1 HB ILE 17 - H VAL 48 lone 5 96 - 5 - 705/4.6=1 HB2 LYS 62 - H VAL 48 lone 2 100 - 2 - HB2 LYS 60 - H VAL 48 lone 2 98 - 2 - HB2 ARG 61 - H VAL 48 lone 2 92 - 2 - Peak 223 from nnoeabs.peaks (2.55, 7.68, 118.72 ppm; 4.02 A): 1 out of 1 assignment used, quality = 0.72: * HG2 GLN 47 + H VAL 48 OK 72 100 - 72 - 2325/3.6=31, 706/4.6=25...(6) Peak 224 from nnoeabs.peaks (2.40, 7.68, 118.72 ppm; 5.22 A): 2 out of 7 assignments used, quality = 0.95: * HG3 GLN 47 + H VAL 48 OK 90 100 - 90 - 1.8/223=49, 3.0/221=44...(9) HG2 GLU 45 + H VAL 48 OK 44 100 - 45 - 3.9/3772=21, 707/4.6=7...(11) HB3 LYS 22 - H VAL 48 OK 33 76 - 43 - ~3701=10, 3703/3.0=9...(9) HG2 MET 11 - H VAL 48 OK 23 89 - 26 - 1.8/4732=9, 2326/3.6=4...(6) HD2 ARG 55 - H VAL 48 OK 16 100 - 15 - 5.0/3838=4, ~4580=4...(4) HG3 GLU 18 - H VAL 48 lone 9 100 - 9 - 4764/4.0=2, 707/4.6=1 HG3 GLU 20 - H VAL 48 lone 6 83 - 7 - 3.0/712=1, 4123/4.0=1 Peak 227 from nnoeabs.peaks (7.68, 8.54, 121.11 ppm; 3.51 A): 3 out of 4 assignments used, quality = 0.87: * H VAL 48 + H LYS 49 OK 81 100 - 81 - 898=50, 3.8/3530=21...(8) H LYS 39 + H LYS 49 OK 19 98 - 20 - 4416/4.1=6, 1000/3.0=3...(5) HE22 GLN 47 + H LYS 49 OK 16 90 - 17 - 5.8/3783=7, 6.9/1015=6...(4) H LYS 58 - H LYS 49 lone 3 100 - 3 - Peak 228 from nnoeabs.peaks (3.63, 8.54, 121.11 ppm; 4.07 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 48 + H LYS 49 OK 100 100 - 100 - 3.6=100 Peak 229 from nnoeabs.peaks (2.16, 8.54, 121.11 ppm; 3.21 A): 1 out of 4 assignments used, quality = 0.77: * HB VAL 48 + H LYS 49 OK 77 100 - 77 - 4.4=38, 2.1/230=22...(12) HB3 LYS 42 - H LYS 49 lone 9 97 - 9 - 1.8/718=3, 3.0/1020=1...(4) HB2 GLN 53 - H LYS 49 lone 8 93 - 9 - 3.0/1020=2, 4.0/1021=2 HB2 GLU 20 - H LYS 49 lone 3 100 - 3 - Peak 230 from nnoeabs.peaks (1.00, 8.54, 121.11 ppm; 3.95 A): 1 out of 2 assignments used, quality = 0.98: * QG1 VAL 48 + H LYS 49 OK 98 100 - 98 - 4.1=88, 2.1/3530=38...(11) QG2 VAL 16 - H LYS 49 lone 4 90 - 4 - 4583/3.0=1 Peak 231 from nnoeabs.peaks (0.95, 8.54, 121.11 ppm; 4.06 A): 1 out of 2 assignments used, quality = 0.99: * QG2 VAL 48 + H LYS 49 OK 99 100 - 99 - 4.1=95, 2.1/3530=39...(11) QD1 LEU 37 - H LYS 49 OK 31 97 - 32 - 2365/3.6=6, 714/4.6=5...(12) Peak 232 from nnoeabs.peaks (8.54, 8.69, 119.98 ppm; 3.74 A): 1 out of 1 assignment used, quality = 0.85: * H LYS 49 + H ILE 50 OK 85 100 - 85 - 4.5=57, 2401/4.4=21...(11) Peak 233 from nnoeabs.peaks (4.33, 8.69, 119.98 ppm; 4.58 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 49 + H ILE 50 OK 100 100 - 100 - 3.6=100 Peak 234 from nnoeabs.peaks (2.13, 8.69, 119.98 ppm; 3.58 A): 3 out of 4 assignments used, quality = 0.94: * HB2 LYS 49 + H ILE 50 OK 88 100 - 88 - 4.4=54, 1.8/3535=28...(14) HB2 GLN 53 + H ILE 50 OK 45 76 - 60 - ~3806=15, 3804/3.0=11...(14) HB3 LYS 42 + H ILE 50 OK 12 68 - 17 - 1.8/235=4, 3804/3.0=3...(9) HG3 PRO 32 - H ILE 50 lone 4 60 - 6 - 2.3/1028=3 Peak 235 from nnoeabs.peaks (1.88, 8.69, 119.98 ppm; 3.96 A): 2 out of 6 assignments used, quality = 0.94: * HB3 LYS 49 + H ILE 50 OK 93 100 - 93 - 4.4=74, 1.8/3534=39...(9) HB2 LYS 42 + H ILE 50 OK 15 98 - 15 - 1.8/234=3, ~3804=3...(6) HB3 ARG 34 - H ILE 50 lone 6 78 - 8 - 718/4.5=4, 3780/3782=1 HG LEU 41 - H ILE 50 lone 5 93 - 6 - 718/4.5=2 HG2 ARG 21 - H ILE 50 lone 5 78 - 7 - 4806/4.9=4 HB2 GLU 33 - H ILE 50 lone 3 100 - 3 - Peak 236 from nnoeabs.peaks (1.57, 8.69, 119.98 ppm; 4.99 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 49 + H ILE 50 OK 100 100 - 100 - 5.0=100 Peak 237 from nnoeabs.peaks (1.40, 8.69, 119.98 ppm; 4.83 A): 1 out of 6 assignments used, quality = 0.99: * HG3 LYS 49 + H ILE 50 OK 99 100 - 99 - 5.0=91, 3.0/3534=41...(10) HB2 LYS 27 - H ILE 50 poor 10 83 - 12 - 3.0/1028=5, 2386/3.6=3 HG13 ILE 17 - H ILE 50 poor 10 78 - 12 - 3.2/731=4, ~2477=2...(4) HB3 LEU 41 - H ILE 50 lone 5 60 - 9 - 720/4.5=2, 3.0/235=2...(4) HG2 LYS 60 - H ILE 50 lone 2 63 - 3 - HG3 LYS 60 - H ILE 50 lone 2 60 - 3 - Peak 238 from nnoeabs.peaks (1.70, 8.69, 119.98 ppm; 3.44 A): 3 out of 12 assignments used, quality = 0.99: HG13 ILE 50 + H ILE 50 OK 89 97 - 92 - 4.9=34, 1.8/2492=31...(18) HD3 LYS 49 + H ILE 50 OK 65 100 - 65 - 3.7/3534=19, 3.7/3535=17...(13) * HD2 LYS 49 + H ILE 50 OK 65 100 - 65 - 3.7/3534=19, 3.7/3535=17...(13) HG2 LYS 22 - H ILE 50 OK 15 97 - 15 - 4152/4.0=4, ~4600=2...(5) HD3 LYS 39 - H ILE 50 OK 12 98 - 12 - 2499=2, 1.8/2499=2, 2388/3.6=1 HD2 LYS 39 - H ILE 50 OK 12 98 - 12 - 2499=2, 1.8/2499=2, 2388/3.6=1 HG3 LYS 22 - H ILE 50 poor 9 71 - 13 - 4154/4.0=2, 2476/3.0=2...(5) HB3 LEU 37 - H ILE 50 poor 8 60 - 14 - 3.1/728=4, ~3741=2...(5) HD2 LYS 42 - H ILE 50 lone 7 89 - 8 - 3.8/235=2, 3.8/234=2, 4.8/1027=1 HB2 ARG 56 - H ILE 50 lone 3 87 - 3 - HB3 ARG 61 - H ILE 50 lone 1 73 - 1 - HB3 LYS 58 - H ILE 50 lone 1 63 - 1 - Peak 239 from nnoeabs.peaks (1.70, 8.69, 119.98 ppm; 3.44 A): 3 out of 11 assignments used, quality = 0.99: HG13 ILE 50 + H ILE 50 OK 89 97 - 92 - 4.9=34, 1.8/2492=31...(18) * HD3 LYS 49 + H ILE 50 OK 65 100 - 65 - 3.7/3534=19, 3.7/3535=17...(13) HD2 LYS 49 + H ILE 50 OK 65 100 - 65 - 3.7/3534=19, 3.7/3535=17...(13) HG2 LYS 22 - H ILE 50 OK 15 96 - 15 - 4152/4.0=4, ~4600=2...(5) HD2 LYS 39 - H ILE 50 OK 13 99 - 13 - 2499=2, 1.8/2499=2, 2388/3.6=1 HD3 LYS 39 - H ILE 50 OK 13 99 - 13 - 2499=2, 1.8/2499=2, 2388/3.6=1 HG3 LYS 22 - H ILE 50 poor 10 73 - 13 - 4154/4.0=3, 2476/3.0=2...(5) HD2 LYS 42 - H ILE 50 lone 7 87 - 8 - 3.8/235=2, 3.8/234=2, 4.8/1027=1 HB2 ARG 56 - H ILE 50 lone 3 85 - 3 - HB3 ARG 61 - H ILE 50 lone 1 71 - 1 - HB3 LYS 58 - H ILE 50 lone 1 60 - 1 - Peak 242 from nnoeabs.peaks (8.69, 8.27, 121.67 ppm; 3.50 A): 1 out of 1 assignment used, quality = 0.79: * H ILE 50 + H TRP 51 OK 79 100 - 79 - 4.7=43, 2478/4.4=18...(10) Peak 243 from nnoeabs.peaks (3.77, 8.27, 121.67 ppm; 4.11 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 50 + H TRP 51 OK 100 100 - 100 - 3.6=100 Peak 244 from nnoeabs.peaks (1.94, 8.27, 121.67 ppm; 3.35 A): 1 out of 6 assignments used, quality = 0.82: * HB ILE 50 + H TRP 51 OK 82 100 - 82 - 4.4=43, 2.1/245=22...(13) HD3 LYS 22 - H TRP 51 poor 10 73 - 13 - 4614/4.1=2, 4158/4.3=1...(8) HB3 LYS 39 - H TRP 51 lone 8 96 - 8 - 4614/4.1=2 HB2 ARG 34 - H TRP 51 lone 8 100 - 8 - 4614/4.1=1, 3.6/735=1...(4) HB2 LYS 39 - H TRP 51 lone 8 93 - 8 - 4614/4.1=2 HB3 GLU 67 - H TRP 51 lone 3 76 - 3 - Peak 245 from nnoeabs.peaks (0.91, 8.27, 121.67 ppm; 3.69 A): 2 out of 3 assignments used, quality = 0.94: * QG2 ILE 50 + H TRP 51 OK 92 100 - 92 - 4.3=62, 2.1/244=26...(11) QD2 LEU 37 + H TRP 51 OK 24 100 - 24 - 4623/2.9=6, 2474/3.6=5...(6) QD1 LEU 64 - H TRP 51 lone 5 99 - 5 - 4623/2.9=2 Peak 246 from nnoeabs.peaks (1.29, 8.27, 121.67 ppm; 4.86 A): 1 out of 3 assignments used, quality = 0.94: * HG12 ILE 50 + H TRP 51 OK 94 100 - 94 - 2475/3.6=39, 2.1/248=35...(10) QG2 THR 44 - H TRP 51 lone 4 99 - 4 - QG2 THR 59 - H TRP 51 lone 4 100 - 3 - Peak 247 from nnoeabs.peaks (1.69, 8.27, 121.67 ppm; 4.67 A): 3 out of 14 assignments used, quality = 0.97: * HG13 ILE 50 + H TRP 51 OK 91 100 - 91 - 1.8/246=34, 2.1/248=33...(10) HD3 LYS 49 + H TRP 51 OK 41 97 - 42 - 6.2/1031=16, 3.7/4624=10...(6) HD2 LYS 49 + H TRP 51 OK 41 97 - 42 - 6.2/1031=16, 3.7/4624=10...(6) HG3 LYS 22 - H TRP 51 OK 21 93 - 23 - 4154/4.3=6, 2476/3.6=4...(7) HG2 LYS 22 - H TRP 51 OK 16 78 - 21 - 4152/4.3=5, 3.0/244=4...(7) HD3 LYS 39 - H TRP 51 OK 13 100 - 13 - 3.9/244=3, 3.9/244=2...(6) HD2 LYS 39 - H TRP 51 OK 13 100 - 13 - 3.9/244=3, 3.9/244=2...(6) HB2 LEU 37 - H TRP 51 OK 11 63 - 18 - 3.1/245=8, ~4623=4...(4) HD2 LYS 42 - H TRP 51 lone 5 63 - 8 - 3.8/4624=3, 4.8/1033=2 HB2 ARG 56 - H TRP 51 lone 3 60 - 6 - 3.9/1056=2 HD2 LYS 60 - H TRP 51 lone 2 83 - 2 - HD3 LYS 60 - H TRP 51 lone 2 78 - 2 - HD2 LYS 62 - H TRP 51 lone 2 78 - 2 - HD3 LYS 62 - H TRP 51 lone 1 76 - 2 - Peak 248 from nnoeabs.peaks (0.80, 8.27, 121.67 ppm; 4.64 A): 2 out of 2 assignments used, quality = 0.93: * QD1 ILE 50 + H TRP 51 OK 92 100 - 93 - 2491/4.3=33, 2477/3.6=32...(13) QG2 ILE 17 + H TRP 51 OK 13 98 - 13 - 2477/3.6=4, 731/4.7=3...(5) Peak 249 from nnoeabs.peaks (8.27, 8.94, 119.28 ppm; 3.69 A): 2 out of 3 assignments used, quality = 0.87: * H TRP 51 + H PHE 52 OK 83 100 - 83 - 4.6=51, 2533/4.3=17...(10) H ASN 54 + H PHE 52 OK 24 60 - 40 - 4.6/259=18, 1046=7...(9) H SER 66 - H PHE 52 lone 6 92 - 7 - 1041/4.6=1, 2533/4.3=1 Peak 250 from nnoeabs.peaks (4.02, 8.94, 119.28 ppm; 4.55 A): 1 out of 1 assignment used, quality = 1.00: * HA TRP 51 + H PHE 52 OK 100 100 - 100 - 3.6=100 Peak 251 from nnoeabs.peaks (3.50, 8.94, 119.28 ppm; 3.50 A): 2 out of 2 assignments used, quality = 0.89: * HB2 TRP 51 + H PHE 52 OK 77 100 - 77 - 4.3=55, 4.1/901=19...(7) HB3 PHE 52 + H PHE 52 OK 53 63 - 84 - 4.1=64, 2.5/747=24...(8) Peak 252 from nnoeabs.peaks (3.29, 8.94, 119.28 ppm; 3.59 A): 2 out of 5 assignments used, quality = 0.96: * HB3 TRP 51 + H PHE 52 OK 80 100 - 80 - 4.3=60, 1.8/251=22...(7) HB2 PHE 52 + H PHE 52 OK 79 89 - 89 - 4.1=69, 1.8/2605=32...(8) HD3 ARG 34 - H PHE 52 poor 10 78 - 12 - 4342/3796=3, 1.8/745=3...(5) HB3 HIS 25 - H PHE 52 lone 1 90 - 1 - HB3 HIS 13 - H PHE 52 lone 1 85 - 1 - Peak 254 from nnoeabs.peaks (6.97, 8.94, 119.28 ppm; 4.33 A): 2 out of 2 assignments used, quality = 0.80: * HE3 TRP 51 + H PHE 52 OK 73 100 - 73 - 4794/2.9=24, 5.7/901=18...(8) HZ PHE 23 + H PHE 52 OK 26 73 - 35 - 4794/2.9=13, 4699/4.5=10...(5) Peak 259 from nnoeabs.peaks (8.94, 8.03, 118.15 ppm; 3.64 A): 1 out of 1 assignment used, quality = 0.81: * H PHE 52 + H GLN 53 OK 81 100 - 81 - 4.6=51, 2605/4.5=17...(11) Peak 260 from nnoeabs.peaks (3.76, 8.03, 118.15 ppm; 3.59 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 52 + H GLN 53 OK 100 100 - 100 - 3.6=100 Peak 261 from nnoeabs.peaks (3.27, 8.03, 118.15 ppm; 4.17 A): 2 out of 4 assignments used, quality = 0.95: * HB2 PHE 52 + H GLN 53 OK 90 100 - 90 - 4.5=79, 4.1/259=27...(6) HB3 TRP 51 + H GLN 53 OK 49 89 - 56 - 4.3/259=26, 3.0/1040=17...(5) HD3 ARG 34 - H GLN 53 OK 12 100 - 12 - 1.8/262=3, 4342/1043=3...(5) HB3 HIS 13 - H GLN 53 lone 2 100 - 2 - Peak 262 from nnoeabs.peaks (3.53, 8.03, 118.15 ppm; 3.91 A): 2 out of 3 assignments used, quality = 0.87: * HB3 PHE 52 + H GLN 53 OK 80 100 - 80 - 4.5=65, 4.1/259=24...(5) HB2 TRP 51 + H GLN 53 OK 33 63 - 53 - 4.3/259=23, 3.0/1040=14...(6) HD2 ARG 34 - H GLN 53 lone 9 93 - 9 - 1.8/261=3, 4340/1043=2 Peak 265 from nnoeabs.peaks (8.03, 8.29, 117.45 ppm; 3.32 A): 2 out of 12 assignments used, quality = 0.76: * H GLN 53 + H ASN 54 OK 73 100 - 73 - 4.6=37, 4.0/268=14...(13) H LYS 22 + H ASN 54 OK 12 100 - 12 - 58=4, 4.0/270=2...(4) H GLN 47 - H ASN 54 lone 6 87 - 7 - 4541/4.4=1 H GLN 53 - H SER 66 lone 5 51 - 10 - 903=3, 4.0/3563=1 H ILE 17 - H ASN 54 lone 4 73 - 6 - 3.0/3690=1 H LEU 41 - H ASN 54 lone 3 76 - 4 - H ASN 40 - H ASN 54 lone 3 90 - 3 - H LYS 22 - H SER 66 lone 1 50 - 3 - 959/4.7=2 H GLN 47 - H SER 66 lone 1 38 - 2 - H LEU 41 - H SER 66 lone 0 32 - 1 - H ASN 40 - H SER 66 lone 0 41 - 1 - H ILE 17 - H SER 66 lone 0 31 - 1 - Peak 266 from nnoeabs.peaks (3.94, 8.29, 117.45 ppm; 4.24 A): 2 out of 2 assignments used, quality = 1.00: * HA GLN 53 + H ASN 54 OK 100 100 - 100 - 3.6=100 HB2 SER 66 + H SER 66 OK 50 50 - 100 - 4.0=100 Peak 267 from nnoeabs.peaks (2.15, 8.29, 117.45 ppm; 3.35 A): 2 out of 10 assignments used, quality = 0.81: * HB2 GLN 53 + H ASN 54 OK 78 100 - 78 - 4.4=45, 1.8/268=26...(10) HB2 GLU 20 + H ASN 54 OK 11 93 - 12 - 3.0/269=3, 3.0/758=2...(5) HB2 GLN 53 - H SER 66 poor 5 51 - 10 - 1.8/3563=2, 3562=2...(5) HB2 LYS 49 - H ASN 54 lone 4 76 - 6 - 750/4.6=1, 4.4/900=1 HB3 LYS 42 - H ASN 54 lone 3 100 - 3 - HB VAL 48 - H ASN 54 lone 3 93 - 3 - HB2 GLU 20 - H SER 66 lone 1 43 - 2 - 1324/4.7=1 HB2 LYS 49 - H SER 66 lone 1 32 - 3 - HB VAL 48 - H SER 66 lone 1 43 - 2 - HB3 LYS 42 - H SER 66 lone 1 50 - 1 - Peak 268 from nnoeabs.peaks (2.22, 8.29, 117.45 ppm; 3.62 A): 1 out of 8 assignments used, quality = 0.86: * HB3 GLN 53 + H ASN 54 OK 86 100 - 86 - 4.4=56, 1.8/267=29...(9) HG2 ARG 56 - H ASN 54 poor 8 83 - 10 - 4.6/1056=7, 751/4.6=3 HB3 GLN 53 - H SER 66 poor 6 51 - 12 - 3563=3, 1.8/267=2...(5) HG3 GLU 67 - H SER 66 lone 2 27 - 6 - 854/4.7=5 HG3 GLU 33 - H ASN 54 lone 1 92 - 1 - HG2 ARG 56 - H SER 66 lone 1 36 - 2 - 4.6/1056=1 HG3 GLU 67 - H ASN 54 lone 1 65 - 1 - HG3 GLU 33 - H SER 66 lone 0 42 - 1 - Peak 269 from nnoeabs.peaks (2.44, 8.29, 117.45 ppm; 3.66 A): 2 out of 6 assignments used, quality = 0.72: * HG2 GLN 53 + H ASN 54 OK 68 100 - 69 - 3.0/268=23, 3.0/267=22...(8) HG3 GLU 20 + H ASN 54 OK 10 92 - 11 - 3.0/267=3, 1.8/3389=2...(5) HG2 GLU 20 - H ASN 54 poor 7 71 - 10 - 3.0/267=3, 5.0/872=2...(5) HG2 GLN 53 - H SER 66 poor 6 51 - 11 - 3564=2, 3.0/3563=2...(5) HG3 GLU 20 - H SER 66 lone 1 42 - 2 - 1342/4.7=1 HG2 GLU 20 - H SER 66 lone 1 29 - 2 - Peak 270 from nnoeabs.peaks (2.37, 8.29, 117.45 ppm; 4.33 A): 2 out of 10 assignments used, quality = 0.82: * HG3 GLN 53 + H ASN 54 OK 79 100 - 79 - 1.8/269=33, 3.0/268=30...(8) HB3 LYS 22 + H ASN 54 OK 14 96 - 14 - 753/4.6=6, 4.0/265=4...(4) HG3 GLN 53 - H SER 66 poor 7 51 - 14 - 1.8/3564=3, 3.0/3563=3...(5) HG3 GLN 63 - H ASN 54 lone 4 99 - 4 - 753/4.6=1 HG2 GLN 63 - H ASN 54 lone 4 97 - 4 - 753/4.6=1 HG2 MET 11 - H ASN 54 lone 3 87 - 4 - 1.8/758=1 HB3 LYS 22 - H SER 66 lone 1 45 - 2 - HG3 GLN 63 - H SER 66 lone 1 48 - 2 - HG2 GLN 63 - H SER 66 lone 1 47 - 2 - HG2 MET 11 - H SER 66 lone 1 38 - 2 - Peak 273 from nnoeabs.peaks (8.29, 8.07, 122.80 ppm; 3.53 A): 2 out of 5 assignments used, quality = 0.74: * H ASN 54 + H ARG 55 OK 70 100 - 70 - 4.6=44, 4.1/276=18...(7) H TRP 51 + H ARG 55 OK 13 60 - 22 - 2.9/3815=10, 2675/4.6=4...(5) H SER 66 - H ARG 55 lone 6 93 - 7 - 904=2, 2675/4.6=1...(4) H ARG 21 - H ARG 55 lone 4 89 - 5 - 1056/4.5=1, 56/4.6=1 H LYS 62 - H ARG 55 lone 2 99 - 2 - Peak 274 from nnoeabs.peaks (4.36, 8.07, 122.80 ppm; 4.39 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 54 + H ARG 55 OK 100 100 - 100 - 3.6=100 Peak 275 from nnoeabs.peaks (2.48, 8.07, 122.80 ppm; 4.19 A): 1 out of 5 assignments used, quality = 0.89: * HB2 ASN 54 + H ARG 55 OK 89 100 - 89 - 4.6=75, 1.8/276=42...(4) HG3 GLN 15 - H ARG 55 lone 9 97 - 9 - 4030/4.0=5 HG3 MET 11 - H ARG 55 lone 5 98 - 5 - 4725/4.0=2, 4725/764=1 HG2 GLU 20 - H ARG 55 lone 5 96 - 5 - 3389/4.6=3, 3811/3815=1 HB2 GLN 15 - H ARG 55 lone 3 60 - 5 - 4021/4.0=3 Peak 276 from nnoeabs.peaks (2.65, 8.07, 122.80 ppm; 3.87 A): 1 out of 1 assignment used, quality = 0.78: * HB3 ASN 54 + H ARG 55 OK 78 100 - 78 - 4.6=59, 1.8/275=26...(4) Peak 279 from nnoeabs.peaks (8.07, 7.75, 117.78 ppm; 3.59 A): 1 out of 4 assignments used, quality = 0.65: * H ARG 55 + H ARG 56 OK 65 100 - 65 - 4.5=50, 764/4.7=14...(5) H GLN 47 - H ARG 56 poor 8 76 - 10 - 3.0/1057=3, 4.6/1059=2...(4) H LEU 41 - H ARG 56 lone 6 87 - 6 - 1007/3.0=1 H LEU 37 - H ARG 56 lone 4 99 - 4 - Peak 280 from nnoeabs.peaks (3.43, 7.75, 117.78 ppm; 4.79 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 55 + H ARG 56 OK 100 100 - 100 - 3.6=100 Peak 281 from nnoeabs.peaks (0.65, 7.75, 117.78 ppm; 4.32 A): 3 out of 3 assignments used, quality = 0.89: * HB2 ARG 55 + H ARG 56 OK 86 100 - 86 - 4.7=80, 4.0/279=23...(4) QD1 LEU 43 + H ARG 56 OK 12 100 - 12 - 764/4.5=3, 4479/4.7=3...(4) HG2 LYS 27 + H ARG 56 OK 11 87 - 13 - 3.7/4200=6, 4653/4635=4 Peak 282 from nnoeabs.peaks (-0.28, 7.75, 117.78 ppm; 4.69 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ARG 55 + H ARG 56 OK 100 100 - 100 - 4.7=100 Peak 287 from nnoeabs.peaks (7.75, 7.56, 119.05 ppm; 3.51 A): 2 out of 6 assignments used, quality = 0.68: * H ARG 56 + H TYR 57 OK 62 100 - 62 - 4.6=44, 773/4.6=14...(6) H THR 59 + H TYR 57 OK 14 78 - 18 - 4.6/295=13, 4.6/289=3...(4) H ARG 56 - H GLU 18 lone 8 76 - 10 - 906=5 QD PHE 52 - H TYR 57 lone 7 100 - 7 - 4.5/4758=2, 3824/3829=2 QD PHE 52 - H GLU 18 lone 4 76 - 6 - 4.5/4758=2 H THR 59 - H GLU 18 lone 2 52 - 4 - 4.6/295=3 Peak 288 from nnoeabs.peaks (4.08, 7.56, 119.05 ppm; 4.05 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 56 + H TYR 57 OK 100 100 - 100 - 3.6=100 Peak 289 from nnoeabs.peaks (1.72, 7.56, 119.05 ppm; 4.23 A): 3 out of 22 assignments used, quality = 0.94: * HB2 ARG 56 + H TYR 57 OK 89 100 - 89 - 4.6=77, 3.9/906=25...(7) HB3 LYS 58 + H TYR 57 OK 42 97 - 44 - 4.0/295=23, 4850/3.0=11...(6) HG2 LYS 22 + H TYR 57 OK 13 99 - 13 - 4717/4.4=4, 3.7/1062=3...(4) HG2 LYS 22 - H GLU 18 poor 10 74 - 13 - 3.7/1062=3, 2.9/290=2...(5) HB2 ARG 56 - H GLU 18 lone 7 76 - 8 - 3.9/906=3, 1.8/290=2 HB3 LEU 37 - H TYR 57 lone 6 97 - 6 - 787/4.5=2, 4850/3.0=1 HB3 LEU 37 - H GLU 18 lone 6 70 - 8 - 3.1/4391=2 HB3 ARG 61 - H TYR 57 lone 6 99 - 5 - 787/4.5=1, 4850/3.0=1 HB3 LYS 58 - H GLU 18 lone 5 71 - 7 - 4.0/295=4 HD2 LYS 39 - H TYR 57 lone 3 65 - 5 - HD3 LYS 39 - H TYR 57 lone 3 65 - 5 - HD2 LYS 42 - H TYR 57 lone 3 100 - 3 - HG13 ILE 50 - H GLU 18 lone 3 39 - 7 - ~4087=3, 2.1/35=2 HG13 ILE 50 - H TYR 57 lone 2 60 - 4 - 3825/3829=1 HD2 LYS 49 - H TYR 57 lone 2 87 - 2 - HD3 LYS 49 - H TYR 57 lone 2 85 - 2 - HD2 LYS 42 - H GLU 18 lone 1 76 - 2 - HB3 ARG 61 - H GLU 18 lone 1 74 - 2 - HD2 LYS 49 - H GLU 18 lone 1 60 - 2 - HD3 LYS 49 - H GLU 18 lone 1 58 - 2 - HD2 LYS 39 - H GLU 18 lone 1 43 - 2 - HD3 LYS 39 - H GLU 18 lone 1 43 - 2 - Peak 290 from nnoeabs.peaks (2.04, 7.56, 119.05 ppm; 3.58 A): 2 out of 14 assignments used, quality = 0.74: * HB3 ARG 56 + H TYR 57 OK 63 100 - 64 - 4.6=46, 3.9/906=18...(5) HB3 GLU 20 + H GLU 18 OK 28 75 - 38 - 3689/3.6=18, 4.1/4134=12...(5) HB3 GLU 20 - H TYR 57 lone 7 100 - 7 - 4.1/4134=2, 4.0/949=2 HB2 LYS 22 - H GLU 18 poor 7 56 - 13 - 3.0/1062=2, 3688/3.6=2...(5) HB2 LYS 22 - H TYR 57 lone 6 83 - 7 - 3.0/1062=2, 2.9/289=1 HB3 ARG 56 - H GLU 18 lone 5 76 - 6 - 3.9/906=2 HB2 GLU 45 - H GLU 18 lone 4 73 - 5 - 3688/3.6=3 HB3 GLU 45 - H GLU 18 lone 4 71 - 5 - 3688/3.6=3 HB2 GLN 26 - H TYR 57 lone 1 93 - 2 - HB3 GLN 26 - H TYR 57 lone 1 93 - 2 - HB2 GLU 45 - H TYR 57 lone 1 99 - 1 - HB3 GLU 45 - H TYR 57 lone 1 97 - 1 - HB2 GLN 26 - H GLU 18 lone 1 66 - 2 - HB3 GLN 26 - H GLU 18 lone 1 66 - 2 - Peak 295 from nnoeabs.peaks (7.56, 7.68, 119.80 ppm; 3.75 A): 2 out of 2 assignments used, quality = 0.84: * H TYR 57 + H LYS 58 OK 81 100 - 81 - 4.5=56, 4.0/297=17...(11) H GLU 18 + H LYS 58 OK 15 96 - 16 - 907=6, 2799/4.7=3...(4) Peak 296 from nnoeabs.peaks (4.44, 7.68, 119.80 ppm; 3.67 A): 1 out of 1 assignment used, quality = 1.00: * HA TYR 57 + H LYS 58 OK 100 100 - 100 - 3.6=100 Peak 297 from nnoeabs.peaks (3.09, 7.68, 119.80 ppm; 4.32 A): 1 out of 3 assignments used, quality = 0.93: * HB2 TYR 57 + H LYS 58 OK 93 100 - 93 - 4.7=80, 1.8/298=31...(6) HB3 PHE 23 - H LYS 58 lone 5 92 - 6 - 1.8/298=2, 780/4.5=1 HB3 HIS 10 - H LYS 58 lone 2 96 - 2 - Peak 298 from nnoeabs.peaks (3.17, 7.68, 119.80 ppm; 4.08 A): 1 out of 6 assignments used, quality = 0.88: * HB3 TYR 57 + H LYS 58 OK 88 100 - 88 - 4.7=67, 1.8/297=32...(6) HB3 HIS 36 - H LYS 58 lone 7 78 - 8 - 3.0/3751=4, 4.6/992=3 HB2 HIS 36 - H LYS 58 lone 7 78 - 8 - 3.0/3751=4, 4.6/992=3 HB2 PHE 23 - H LYS 58 lone 5 96 - 5 - 1.8/297=2, 781/4.5=1 HD3 ARG 61 - H LYS 58 lone 5 71 - 6 - 3.5/786=2, 3.5/787=2, ~4679=1 HD2 ARG 61 - H LYS 58 lone 5 71 - 6 - 3.5/786=2, 3.5/787=2, ~4679=1 Peak 300 from nnoeabs.peaks (7.14, 7.68, 119.80 ppm; 4.95 A): 1 out of 1 assignment used, quality = 1.00: * QD TYR 57 + H LYS 58 OK 100 100 - 100 - 4.6=100 Peak 301 from nnoeabs.peaks (7.68, 7.72, 113.00 ppm; 3.74 A): 1 out of 4 assignments used, quality = 0.81: * H LYS 58 + H THR 59 OK 81 100 - 81 - 4.6=53, 3.0/302=28...(8) H LYS 39 - H THR 59 lone 5 100 - 5 - 3.6/305=1, 2863/3592=1 H VAL 48 - H THR 59 lone 3 100 - 3 - HE22 GLN 47 - H THR 59 lone 1 96 - 2 - Peak 302 from nnoeabs.peaks (4.11, 7.72, 113.00 ppm; 3.50 A): 1 out of 4 assignments used, quality = 0.98: * HA LYS 58 + H THR 59 OK 98 100 - 98 - 3.6=94, 3.0/301=23...(9) HA ARG 56 - H THR 59 poor 7 63 - 12 - 3843/4.6=3, 4841/4.0=3...(4) HA LYS 39 - H THR 59 lone 3 68 - 4 - 3.0/301=1 HA SER 24 - H THR 59 lone 1 57 - 1 - Peak 303 from nnoeabs.peaks (1.80, 7.72, 113.00 ppm; 4.07 A): 2 out of 8 assignments used, quality = 0.93: * HB2 LYS 58 + H THR 59 OK 92 100 - 92 - 4.6=68, 3.0/302=32...(7) HB3 LYS 60 + H THR 59 OK 18 73 - 24 - 3.8/909=20, 4681/3.0=4 HB2 LYS 62 - H THR 59 poor 9 68 - 14 - ~4681=11 HB3 LYS 62 - H THR 59 poor 7 65 - 10 - 4681/3.0=7 HB2 ARG 61 - H THR 59 lone 4 98 - 4 - 786/4.6=1, 1.8/304=1 HD2 LYS 22 - H THR 59 lone 2 89 - 3 - HB3 GLN 47 - H THR 59 lone 2 73 - 3 - HB2 PRO 32 - H THR 59 lone 2 99 - 2 - Peak 304 from nnoeabs.peaks (1.73, 7.72, 113.00 ppm; 4.19 A): 1 out of 8 assignments used, quality = 0.94: * HB3 LYS 58 + H THR 59 OK 94 100 - 94 - 4.6=74, 3.0/302=33...(8) HB2 ARG 56 - H THR 59 OK 15 97 - 16 - 787/4.6=5, 4682/4.0=5...(4) HD2 LYS 42 - H THR 59 lone 8 97 - 9 - 3.0/305=3, 3.0/305=3 HB3 LEU 37 - H THR 59 lone 5 100 - 5 - 787/4.6=2, 4682/4.0=1 HB3 ARG 61 - H THR 59 lone 5 100 - 5 - 787/4.6=1, 1.8/303=1 HG2 LYS 22 - H THR 59 lone 3 89 - 3 - HD2 LYS 49 - H THR 59 lone 1 63 - 1 - HD3 LYS 49 - H THR 59 lone 1 60 - 1 - Peak 305 from nnoeabs.peaks (1.36, 7.72, 113.00 ppm; 5.38 A): 4 out of 7 assignments used, quality = 0.95: * HG2 LYS 58 + H THR 59 OK 90 100 - 90 - 4.0/302=38, 2.8/304=32...(6) HG2 LYS 42 + H THR 59 OK 20 100 - 19 - 3591=6, 1.8/3591=5...(5) HG3 LYS 42 + H THR 59 OK 20 100 - 19 - 3591=6, 1.8/3591=5...(5) QB ALA 38 + H THR 59 OK 14 92 - 15 - 788/4.6=4, 2827/3.6=4...(4) HG13 ILE 17 - H THR 59 lone 6 90 - 6 - 788/4.6=2 HG2 ARG 34 - H THR 59 lone 4 87 - 4 - HD3 LYS 27 - H THR 59 lone 3 68 - 5 - Peak 311 from nnoeabs.peaks (7.72, 7.98, 123.03 ppm; 4.89 A): 1 out of 1 assignment used, quality = 1.00: * H THR 59 + H LYS 60 OK 100 100 - 100 - 4.6=100 Peak 312 from nnoeabs.peaks (4.26, 7.98, 123.03 ppm; 3.49 A): 1 out of 1 assignment used, quality = 1.00: HA LYS 60 + H LYS 60 OK 100 100 - 100 - 3.0=100 Reference assignment not found: HA THR 59 - H LYS 60 Peak 313 from nnoeabs.peaks (4.28, 7.98, 123.03 ppm; 3.43 A): 1 out of 1 assignment used, quality = 0.87: HA LYS 60 + H LYS 60 OK 87 87 - 100 - 3.0=100 Reference assignment not found: HB THR 59 - H LYS 60 Peak 314 from nnoeabs.peaks (1.29, 7.98, 123.03 ppm; 4.73 A): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 59 + H LYS 60 OK 100 100 - 100 - 4.1=100 Peak 316 from nnoeabs.peaks (4.26, 8.17, 121.81 ppm; 3.24 A): 1 out of 1 assignment used, quality = 0.81: HA ARG 61 + H ARG 61 OK 81 81 - 100 - 3.0=100 Reference assignment not found: HA LYS 60 - H ARG 61 Peak 317 from nnoeabs.peaks (1.83, 8.17, 121.81 ppm; 3.74 A): 3 out of 9 assignments used, quality = 0.89: HB2 ARG 61 + H ARG 61 OK 68 73 - 92 - 4.0=80, 1.8/811=34...(11) * HB2 LYS 60 + H ARG 61 OK 63 100 - 63 - 4.4=62, 818/4.6=1 HB2 LYS 62 + H ARG 61 OK 10 99 - 10 - 818/4.6=9 HB3 ARG 34 - H ARG 61 lone 3 73 - 4 - HG2 ARG 21 - H ARG 61 lone 2 73 - 2 - HD2 LYS 22 - H ARG 61 lone 2 90 - 2 - HB ILE 17 - H ARG 61 lone 1 100 - 1 - HB3 MET 11 - H ARG 61 lone 1 100 - 1 - HB3 GLN 47 - H ARG 61 lone 1 98 - 1 - Peak 318 from nnoeabs.peaks (1.78, 8.17, 121.81 ppm; 3.82 A): 2 out of 4 assignments used, quality = 0.73: * HB3 LYS 60 + H ARG 61 OK 68 100 - 68 - 4.4=66, 819/4.6=3 HB3 LYS 62 + H ARG 61 OK 17 100 - 17 - 819/4.6=16 HB2 LYS 58 - H ARG 61 lone 3 73 - 3 - 1.8/811=1 HB2 PRO 32 - H ARG 61 lone 2 87 - 3 - Peak 326 from nnoeabs.peaks (4.24, 8.30, 122.70 ppm; 3.10 A): 1 out of 1 assignment used, quality = 0.90: HA LYS 62 + H LYS 62 OK 90 90 - 100 - 2.9=100 Reference assignment not found: HA ARG 61 - H LYS 62 Peak 327 from nnoeabs.peaks (1.81, 8.30, 122.70 ppm; 3.77 A): 2 out of 9 assignments used, quality = 0.96: HB2 LYS 62 + H LYS 62 OK 80 89 - 90 - 4.0=82, 335/4.6=10...(18) * HB2 ARG 61 + H LYS 62 OK 79 100 - 79 - 4.6=54, 1.8/328=31...(11) HB2 LYS 60 - H LYS 62 poor 9 73 - 12 - 810/4.6=5, 3.0/821=2, 3.0/820=2 HB2 LYS 58 - H LYS 62 lone 4 98 - 4 - 1.8/328=2 HD2 LYS 22 - H LYS 62 lone 4 99 - 4 - 3.0/328=1, 6.1/58=1 HB ILE 17 - H LYS 62 lone 1 65 - 2 - HB3 GLN 47 - H LYS 62 lone 1 92 - 1 - HB2 PRO 32 - H LYS 62 lone 1 92 - 1 - HB3 MET 11 - H LYS 62 lone 1 73 - 1 - Peak 328 from nnoeabs.peaks (1.73, 8.30, 122.70 ppm; 3.69 A): 1 out of 8 assignments used, quality = 0.73: * HB3 ARG 61 + H LYS 62 OK 73 100 - 73 - 4.6=50, 811/4.6=16...(11) HB3 LYS 58 - H LYS 62 lone 4 100 - 4 - 1.8/819=1 HG2 LYS 22 - H LYS 62 lone 4 95 - 4 - 5.1/58=2 HD2 LYS 42 - H LYS 62 lone 3 99 - 3 - HB2 ARG 56 - H LYS 62 lone 2 99 - 2 - HB3 LEU 37 - H LYS 62 lone 2 100 - 2 - HD2 LYS 49 - H LYS 62 lone 1 73 - 1 - HD3 LYS 49 - H LYS 62 lone 1 71 - 1 - Peak 329 from nnoeabs.peaks (1.60, 8.30, 122.70 ppm; 4.84 A): 2 out of 9 assignments used, quality = 1.00: * HG2 ARG 61 + H LYS 62 OK 98 100 - 98 - 5.0=92, 2.9/328=35...(13) HG3 ARG 61 + H LYS 62 OK 98 100 - 98 - 5.0=92, 2.9/328=35...(13) HG3 ARG 21 - H LYS 62 lone 8 99 - 8 - 1.8/1372=2, 3612=1 HB3 LEU 43 - H LYS 62 lone 7 99 - 6 - HB2 LEU 41 - H LYS 62 lone 3 81 - 4 - HG3 ARG 34 - H LYS 62 lone 3 97 - 3 - HG2 LYS 49 - H LYS 62 lone 3 71 - 4 - HB3 LEU 64 - H LYS 62 lone 2 81 - 3 - HG LEU 68 - H LYS 62 lone 2 85 - 2 - Peak 330 from nnoeabs.peaks (1.59, 8.30, 122.70 ppm; 4.84 A): 2 out of 9 assignments used, quality = 1.00: * HG3 ARG 61 + H LYS 62 OK 98 100 - 98 - 5.0=92, 2.9/328=35...(13) HG2 ARG 61 + H LYS 62 OK 98 100 - 98 - 5.0=92, 2.9/328=35...(13) HG3 ARG 21 - H LYS 62 lone 8 98 - 8 - 1.8/1372=2, 3612=1 HB3 LEU 43 - H LYS 62 lone 6 99 - 6 - HG3 ARG 34 - H LYS 62 lone 3 98 - 3 - HB2 LEU 41 - H LYS 62 lone 3 78 - 4 - HG2 LYS 49 - H LYS 62 lone 3 73 - 4 - HB3 LEU 64 - H LYS 62 lone 2 78 - 3 - HG LEU 68 - H LYS 62 lone 2 83 - 2 - Peak 333 from nnoeabs.peaks (8.30, 8.38, 121.72 ppm; 5.01 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 62 + H GLN 63 OK 100 100 - 100 - 4.6=100 Peak 334 from nnoeabs.peaks (4.26, 8.38, 121.72 ppm; 3.28 A): 1 out of 5 assignments used, quality = 0.83: * HA LYS 62 + H GLN 63 OK 83 100 - 83 - 3.6=78, 3.0/335=14...(4) HA THR 59 - H GLN 63 lone 8 100 - 8 - 4681/4.3=7 HA ARG 61 - H GLN 63 lone 2 90 - 2 - 3.0/335=1 HA LYS 60 - H GLN 63 lone 1 100 - 1 - HB THR 59 - H GLN 63 lone 0 76 - 1 - Peak 335 from nnoeabs.peaks (1.83, 8.38, 121.72 ppm; 4.28 A): 1 out of 8 assignments used, quality = 0.98: * HB2 LYS 62 + H GLN 63 OK 98 100 - 98 - 4.3=97, 3.0/334=35, 818/4.6=12 HB2 ARG 61 - H GLN 63 poor 9 89 - 11 - 818/4.6=9 HB2 LYS 60 - H GLN 63 lone 3 99 - 4 - 818/4.6=2 HB3 MET 11 - H GLN 63 lone 3 99 - 3 - HD2 LYS 22 - H GLN 63 lone 2 98 - 2 - HB ILE 17 - H GLN 63 lone 2 97 - 2 - HB3 GLN 47 - H GLN 63 lone 2 100 - 2 - HB2 LYS 58 - H GLN 63 lone 1 68 - 2 - Peak 336 from nnoeabs.peaks (1.77, 8.38, 121.72 ppm; 4.40 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 62 + H GLN 63 OK 100 100 - 100 - 4.3=100 Peak 343 from nnoeabs.peaks (8.38, 8.38, 123.55 ppm; diagonal): 1 out of 1 assignment used, quality = 0.98: H LEU 64 + H LEU 64 OK 98 98 - 100 Reference assignment not found: H GLN 63 - H LEU 64 Peak 344 from nnoeabs.peaks (4.31, 8.38, 123.55 ppm; 3.28 A): 1 out of 5 assignments used, quality = 0.82: * HA GLN 63 + H LEU 64 OK 82 100 - 82 - 3.6=78, 3.0/914=14...(4) HA GLU 67 - H LEU 64 lone 2 100 - 2 - 3.6/366=1 HA HIS 36 - H LEU 64 lone 1 100 - 1 - HA LYS 49 - H LEU 64 lone 0 93 - 1 - HA LEU 41 - H LEU 64 lone 1 68 - 1 - Peak 345 from nnoeabs.peaks (2.08, 8.38, 123.55 ppm; 4.76 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 63 + H LEU 64 OK 100 100 - 100 - 4.6=100 Peak 346 from nnoeabs.peaks (2.00, 8.38, 123.55 ppm; 4.65 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 63 + H LEU 64 OK 100 100 - 100 - 4.6=100 Peak 351 from nnoeabs.peaks (8.38, 8.35, 116.28 ppm; 3.44 A): 1 out of 4 assignments used, quality = 0.58: * H LEU 64 + H SER 65 OK 58 100 - 58 - 4.7=40, 836/4.4=11...(5) H GLN 63 - H SER 65 lone 10 98 - 10 - 4.6/914=9 H GLU 67 - H SER 65 lone 1 92 - 1 - H GLU 20 - H SER 65 lone 0 71 - 1 - Peak 352 from nnoeabs.peaks (4.37, 8.35, 116.28 ppm; 4.14 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 64 + H SER 65 OK 100 100 - 100 - 3.6=100 Peak 353 from nnoeabs.peaks (1.66, 8.35, 116.28 ppm; 5.02 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 64 + H SER 65 OK 100 100 - 100 - 4.4=100 Peak 354 from nnoeabs.peaks (1.62, 8.35, 116.28 ppm; 4.88 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 64 + H SER 65 OK 100 100 - 100 - 4.4=100 Peak 355 from nnoeabs.peaks (1.64, 8.35, 116.28 ppm; 4.88 A): 2 out of 2 assignments used, quality = 0.95: HB3 LEU 64 + H SER 65 OK 78 78 - 100 - 4.4=100 HB2 LEU 64 + H SER 65 OK 78 78 - 100 - 4.4=100 Reference assignment not found: HG LEU 64 - H SER 65 Peak 358 from nnoeabs.peaks (8.35, 8.28, 117.12 ppm; 5.38 A): 1 out of 1 assignment used, quality = 1.00: * H SER 65 + H SER 66 OK 100 100 - 100 - 4.6=100 Peak 359 from nnoeabs.peaks (4.43, 8.28, 117.12 ppm; 4.03 A): 2 out of 2 assignments used, quality = 1.00: * HA SER 65 + H SER 66 OK 100 100 - 100 - 3.6=100 HA SER 66 + H SER 66 OK 90 90 - 100 - 3.0=100 Peak 360 from nnoeabs.peaks (3.93, 8.28, 117.12 ppm; 4.87 A): 3 out of 3 assignments used, quality = 1.00: * HB2 SER 65 + H SER 66 OK 100 100 - 100 - 4.5=100 HB2 SER 66 + H SER 66 OK 96 96 - 100 - 4.0=100 HA GLN 53 + H ASN 54 OK 49 49 - 100 - 3.6=100 Peak 361 from nnoeabs.peaks (3.87, 8.28, 117.12 ppm; 4.80 A): 2 out of 2 assignments used, quality = 1.00: * HB3 SER 65 + H SER 66 OK 100 100 - 100 - 4.5=100 HB3 SER 66 + H SER 66 OK 100 100 - 100 - 4.0=100 Peak 363 from nnoeabs.peaks (4.45, 8.40, 122.42 ppm; 3.59 A): 1 out of 1 assignment used, quality = 1.00: * HA SER 66 + H GLU 67 OK 100 100 - 100 - 3.6=100 Peak 364 from nnoeabs.peaks (3.94, 8.40, 122.42 ppm; 4.95 A): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 66 + H GLU 67 OK 100 100 - 100 - 4.4=100 Peak 365 from nnoeabs.peaks (3.87, 8.40, 122.42 ppm; 5.14 A): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 66 + H GLU 67 OK 100 100 - 100 - 4.4=100 Peak 366 from nnoeabs.peaks (8.40, 8.14, 122.19 ppm; 4.24 A): 1 out of 4 assignments used, quality = 0.90: * H GLU 67 + H LEU 68 OK 90 100 - 90 - 4.6=76, 3.0/367=36...(6) H LEU 64 - H LEU 68 lone 9 92 - 9 - 3.6/367=1, 4.6/368=1, 3236/4.7=1 H GLN 63 - H LEU 68 lone 3 73 - 4 - 3.0/367=2, 3.9/368=1 H GLU 20 - H LEU 68 lone 2 97 - 2 - Peak 367 from nnoeabs.peaks (4.31, 8.14, 122.19 ppm; 3.34 A): 1 out of 5 assignments used, quality = 0.88: * HA GLU 67 + H LEU 68 OK 88 100 - 88 - 3.6=82, 3.0/366=16...(4) HA GLN 63 - H LEU 68 lone 4 100 - 4 - 3.6/366=1 HA HIS 36 - H LEU 68 lone 3 100 - 3 - 3.0/147=1, 3.6/989=1 HA LYS 49 - H LEU 68 lone 1 92 - 1 - HA LEU 41 - H LEU 68 lone 0 65 - 1 - Peak 368 from nnoeabs.peaks (2.09, 8.14, 122.19 ppm; 4.65 A): 1 out of 6 assignments used, quality = 1.00: * HB2 GLU 67 + H LEU 68 OK 100 100 - 100 - 4.7=100 HG3 PRO 32 - H LEU 68 lone 8 96 - 8 - 3.8/3727=3, 5.0/974=2 HB2 GLN 63 - H LEU 68 lone 8 98 - 7 - 4.6/366=2, 3.0/367=2, 4694/4.9=1 HB VAL 16 - H LEU 68 lone 6 96 - 6 - 3663/3.0=2, ~4052=1, ~4050=1 HG3 GLU 45 - H LEU 68 lone 4 92 - 5 - 3520=1 HB2 LYS 22 - H LEU 68 lone 4 57 - 7 - 4.0/962=3, 4.3/875=1 Peak 369 from nnoeabs.peaks (1.96, 8.14, 122.19 ppm; 4.82 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 67 + H LEU 68 OK 100 100 - 100 - 4.7=100 Peak 372 from nnoeabs.peaks (8.14, 7.90, 115.34 ppm; 5.01 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 68 + H GLY 69 OK 100 100 - 100 - 4.6=100 Peak 373 from nnoeabs.peaks (4.36, 7.90, 115.34 ppm; 3.84 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 68 + H GLY 69 OK 100 100 - 100 - 3.6=100 Peak 374 from nnoeabs.peaks (1.64, 7.90, 115.34 ppm; 4.97 A): 2 out of 2 assignments used, quality = 1.00: * HB2 LEU 68 + H GLY 69 OK 100 100 - 100 - 4.3=100 HB3 LEU 68 + H GLY 69 OK 100 100 - 100 - 4.3=100 Peak 375 from nnoeabs.peaks (1.63, 7.90, 115.34 ppm; 4.97 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LEU 68 + H GLY 69 OK 100 100 - 100 - 4.3=100 HB2 LEU 68 + H GLY 69 OK 100 100 - 100 - 4.3=100 Peak 379 from nnoeabs.peaks (8.02, 7.29, 110.97 ppm; 4.40 A): 3 out of 5 assignments used, quality = 0.94: * H ASN 40 + HD21 ASN 40 OK 91 100 - 91 - 5.2=59, 660/3.5=37...(8) H LYS 22 + HD21 ASN 40 OK 22 96 - 23 - 385/1.7=5, 2081/3.5=5...(5) H ILE 17 + HD21 ASN 40 OK 14 99 - 14 - 385/1.7=4, 2081/3.5=3...(4) H GLN 53 - HD21 ASN 40 lone 6 90 - 7 - 385/1.7=2, 2081/3.5=2 H HIS 36 - HD21 ASN 40 lone 5 63 - 8 - 986/4.4=2, 2081/3.5=1...(4) Peak 380 from nnoeabs.peaks (4.37, 7.29, 110.97 ppm; 4.96 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 40 + HD21 ASN 40 OK 100 100 - 100 - 4.4=100 Peak 381 from nnoeabs.peaks (2.76, 7.29, 110.97 ppm; 3.78 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 40 + HD21 ASN 40 OK 100 100 - 100 - 3.5=100 Peak 382 from nnoeabs.peaks (2.70, 7.29, 110.97 ppm; 4.05 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 40 + HD21 ASN 40 OK 100 100 - 100 - 3.5=100 Peak 383 from nnoeabs.peaks (7.29, 7.29, 110.97 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 40 + HD21 ASN 40 OK 100 100 - 100 Peak 384 from nnoeabs.peaks (6.52, 7.29, 110.97 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 40 + HD21 ASN 40 OK 100 100 - 100 - 1.7=100 Peak 385 from nnoeabs.peaks (8.02, 6.52, 110.97 ppm; 4.64 A): 1 out of 5 assignments used, quality = 0.94: * H ASN 40 + HD22 ASN 40 OK 94 100 - 94 - 5.2=70, 660/3.5=40...(6) H LYS 22 - HD22 ASN 40 OK 22 96 - 23 - 379/1.7=7, 2081/3.5=5...(5) H ILE 17 - HD22 ASN 40 OK 15 99 - 15 - 379/1.7=4, 2081/3.5=4...(4) H GLN 53 - HD22 ASN 40 lone 7 90 - 7 - 379/1.7=2, 2081/3.5=2 H HIS 36 - HD22 ASN 40 lone 5 63 - 9 - 986/4.4=2, 379/1.7=2...(4) Peak 386 from nnoeabs.peaks (4.37, 6.52, 110.97 ppm; 5.00 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 40 + HD22 ASN 40 OK 100 100 - 100 - 4.4=100 Peak 387 from nnoeabs.peaks (2.76, 6.52, 110.97 ppm; 4.19 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 40 + HD22 ASN 40 OK 100 100 - 100 - 3.5=100 Peak 388 from nnoeabs.peaks (2.70, 6.52, 110.97 ppm; 4.45 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 40 + HD22 ASN 40 OK 100 100 - 100 - 3.5=100 Peak 389 from nnoeabs.peaks (7.29, 6.52, 110.97 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 40 + HD22 ASN 40 OK 100 100 - 100 - 1.7=100 Peak 390 from nnoeabs.peaks (6.52, 6.52, 110.97 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 40 + HD22 ASN 40 OK 100 100 - 100 Peak 391 from nnoeabs.peaks (8.29, 7.49, 112.83 ppm; 4.69 A): 2 out of 10 assignments used, quality = 0.96: * H ASN 54 + HD21 ASN 54 OK 93 100 - 93 - 5.1=76, 759/3.4=39...(6) H TRP 51 + HD21 ASN 54 OK 45 60 - 76 - 2.9/4664=24, 4.3/4596=22...(9) H SER 66 - HD21 ASN 54 OK 13 93 - 13 - 397/1.7=3, 2675/3.4=3...(4) H ARG 21 - HD21 ASN 54 lone 6 89 - 7 - 56/3.4=3, 397/1.7=2, 2675/3.4=1 H LYS 62 - HD21 ASN 54 lone 4 99 - 4 - 397/1.7=1 H ASN 54 - H TYR 28 lone 1 55 - 3 - H TRP 51 - H TYR 28 lone 1 27 - 4 - H LYS 62 - H TYR 28 lone 1 53 - 2 - H SER 66 - H TYR 28 lone 1 47 - 2 - H ARG 21 - H TYR 28 lone 1 44 - 2 - Peak 392 from nnoeabs.peaks (4.36, 7.49, 112.83 ppm; 4.97 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 54 + HD21 ASN 54 OK 100 100 - 100 - 4.5=100 Peak 393 from nnoeabs.peaks (2.48, 7.49, 112.83 ppm; 3.94 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 54 + HD21 ASN 54 OK 100 100 - 100 - 3.4=100 Peak 394 from nnoeabs.peaks (2.65, 7.49, 112.83 ppm; 3.72 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 54 + HD21 ASN 54 OK 100 100 - 100 - 3.4=100 Peak 395 from nnoeabs.peaks (7.49, 7.49, 112.83 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HD21 ASN 54 + HD21 ASN 54 OK 100 100 - 100 H TYR 28 - H TYR 28 OK 45 45 - 100 Peak 396 from nnoeabs.peaks (6.91, 7.49, 112.83 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 54 + HD21 ASN 54 OK 100 100 - 100 - 1.7=100 Peak 397 from nnoeabs.peaks (8.29, 6.91, 112.83 ppm; 4.93 A): 2 out of 5 assignments used, quality = 0.98: * H ASN 54 + HD22 ASN 54 OK 97 100 - 97 - 5.1=88, 759/3.4=41...(5) H TRP 51 + HD22 ASN 54 OK 47 60 - 78 - 4.3/4661=25, ~4664=19...(10) H SER 66 - HD22 ASN 54 OK 14 93 - 14 - 391/1.7=3, 2675/3.4=3...(5) H ARG 21 - HD22 ASN 54 lone 8 89 - 9 - 56/3.4=3, 391/1.7=2...(4) H LYS 62 - HD22 ASN 54 lone 5 99 - 5 - 391/1.7=1 Peak 398 from nnoeabs.peaks (4.36, 6.91, 112.83 ppm; 5.19 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 54 + HD22 ASN 54 OK 100 100 - 100 - 4.5=100 Peak 399 from nnoeabs.peaks (2.48, 6.91, 112.83 ppm; 4.01 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 54 + HD22 ASN 54 OK 100 100 - 100 - 3.4=100 Peak 400 from nnoeabs.peaks (2.65, 6.91, 112.83 ppm; 3.85 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 54 + HD22 ASN 54 OK 100 100 - 100 - 3.4=100 Peak 401 from nnoeabs.peaks (7.49, 6.91, 112.83 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 54 + HD22 ASN 54 OK 100 100 - 100 - 1.7=100 Peak 402 from nnoeabs.peaks (6.91, 6.91, 112.83 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 54 + HD22 ASN 54 OK 100 100 - 100 Peak 405 from nnoeabs.peaks (2.50, 7.79, 112.24 ppm; 3.75 A): 1 out of 1 assignment used, quality = 0.85: HG3 GLN 15 + HE21 GLN 15 OK 85 85 - 100 - 3.5=100 Reference assignment not found: HB2 GLN 15 - HE21 GLN 15 Peak 406 from nnoeabs.peaks (1.63, 7.79, 112.24 ppm; 4.26 A): 2 out of 10 assignments used, quality = 0.98: * HB3 GLN 15 + HE21 GLN 15 OK 87 100 - 87 - 4.6=79, 414/1.7=13...(8) HB2 LEU 41 + HE21 GLN 15 OK 81 90 - 89 - 1.8/4435=27, 3.1/4436=23...(20) HD3 LYS 42 - HE21 GLN 15 OK 27 65 - 41 - 3.8/4468=22, 3.8/4032=21 HB3 LEU 68 - HE21 GLN 15 OK 15 100 - 15 - 3.1/4034=3, 3.1/4034=3...(5) HB2 LEU 68 - HE21 GLN 15 OK 15 100 - 15 - 3.1/4034=3, 3.1/4034=3...(5) HG LEU 68 - HE21 GLN 15 OK 13 87 - 15 - 2.1/4034=4, 2.1/4034=4...(5) HG LEU 64 - HE21 GLN 15 lone 6 99 - 6 - 2.1/4034=2, ~4041=1 HB3 LEU 64 - HE21 GLN 15 lone 6 90 - 6 - 3.1/4034=2 HB2 LEU 64 - HE21 GLN 15 lone 3 63 - 5 - 3.1/4034=2 HG3 ARG 21 - HE21 GLN 15 lone 1 60 - 2 - Peak 407 from nnoeabs.peaks (2.30, 7.79, 112.24 ppm; 3.55 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 15 + HE21 GLN 15 OK 100 100 - 100 - 3.5=100 Peak 408 from nnoeabs.peaks (2.48, 7.79, 112.24 ppm; 3.75 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 15 + HE21 GLN 15 OK 100 100 - 100 - 3.5=100 Peak 409 from nnoeabs.peaks (7.79, 7.79, 112.24 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 15 + HE21 GLN 15 OK 100 100 - 100 Peak 410 from nnoeabs.peaks (6.69, 7.79, 112.24 ppm; 2.46 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 15 + HE21 GLN 15 OK 100 100 - 100 - 1.7=100 Peak 413 from nnoeabs.peaks (2.50, 6.69, 112.24 ppm; 3.97 A): 1 out of 1 assignment used, quality = 0.85: HG3 GLN 15 + HE22 GLN 15 OK 85 85 - 100 - 3.5=100 Reference assignment not found: HB2 GLN 15 - HE22 GLN 15 Peak 414 from nnoeabs.peaks (1.63, 6.69, 112.24 ppm; 4.44 A): 2 out of 10 assignments used, quality = 0.99: * HB3 GLN 15 + HE22 GLN 15 OK 94 100 - 94 - 4.6=90, 406/1.7=14...(6) HB2 LEU 41 + HE22 GLN 15 OK 82 90 - 91 - ~4435=27, ~4830=19...(21) HD3 LYS 42 - HE22 GLN 15 OK 22 65 - 34 - 3.8/4039=21, 3.8/4038=11 HB3 LEU 68 - HE22 GLN 15 OK 16 100 - 16 - 3.1/4041=3, 3.1/4041=3...(5) HB2 LEU 68 - HE22 GLN 15 OK 16 100 - 16 - 3.1/4041=3, 3.1/4041=3...(5) HG LEU 68 - HE22 GLN 15 OK 14 87 - 16 - 2.1/4041=4, 2.1/4041=4...(5) HG LEU 64 - HE22 GLN 15 lone 7 99 - 7 - 2.1/4041=2, ~4034=1, 406/1.7=1 HB3 LEU 64 - HE22 GLN 15 lone 6 90 - 6 - 3.1/4041=1, ~4034=1 HB2 LEU 64 - HE22 GLN 15 lone 4 63 - 6 - 3.1/4041=1, ~4034=1 HG3 ARG 21 - HE22 GLN 15 lone 1 60 - 2 - Peak 415 from nnoeabs.peaks (2.30, 6.69, 112.24 ppm; 3.73 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 15 + HE22 GLN 15 OK 100 100 - 100 - 3.5=100 Peak 416 from nnoeabs.peaks (2.48, 6.69, 112.24 ppm; 3.97 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 15 + HE22 GLN 15 OK 100 100 - 100 - 3.5=100 Peak 417 from nnoeabs.peaks (7.79, 6.69, 112.24 ppm; 2.46 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 15 + HE22 GLN 15 OK 100 100 - 100 - 1.7=100 Peak 418 from nnoeabs.peaks (6.69, 6.69, 112.24 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 15 + HE22 GLN 15 OK 100 100 - 100 Peak 421 from nnoeabs.peaks (2.02, 7.40, 113.37 ppm; 4.57 A): 2 out of 10 assignments used, quality = 1.00: * HB2 GLN 26 + HE21 GLN 26 OK 99 100 - 99 - 4.6=96, 429/1.7=21...(15) HB3 GLN 26 + HE21 GLN 26 OK 99 100 - 99 - 4.6=96, 429/1.7=21...(15) HB2 GLU 18 - HE21 GLN 26 lone 3 65 - 4 - 4235/4195=1 HB3 GLU 18 - HE21 GLN 26 lone 3 65 - 4 - 4235/4195=1 HB3 ARG 56 - HE21 GLN 26 lone 3 93 - 3 - HB2 MET 11 - HE21 GLN 26 lone 3 68 - 4 - ~4733=1 HB2 GLU 45 - HE21 GLN 26 lone 2 78 - 2 - HB3 GLU 45 - HE21 GLN 26 lone 2 73 - 2 - HB3 GLU 20 - HE21 GLN 26 lone 1 87 - 2 - HB3 GLN 63 - HE21 GLN 26 lone 1 68 - 2 - Peak 422 from nnoeabs.peaks (2.02, 7.40, 113.37 ppm; 4.57 A): 2 out of 10 assignments used, quality = 1.00: HB2 GLN 26 + HE21 GLN 26 OK 99 100 - 99 - 4.6=96, 429/1.7=21...(15) * HB3 GLN 26 + HE21 GLN 26 OK 99 100 - 99 - 4.6=96, 429/1.7=21...(15) HB2 GLU 18 - HE21 GLN 26 lone 3 65 - 4 - 4235/4195=1 HB3 GLU 18 - HE21 GLN 26 lone 3 65 - 4 - 4235/4195=1 HB3 ARG 56 - HE21 GLN 26 lone 3 93 - 3 - HB2 MET 11 - HE21 GLN 26 lone 3 68 - 4 - ~4733=1 HB2 GLU 45 - HE21 GLN 26 lone 2 78 - 2 - HB3 GLU 45 - HE21 GLN 26 lone 2 73 - 2 - HB3 GLU 20 - HE21 GLN 26 lone 1 87 - 2 - HB3 GLN 63 - HE21 GLN 26 lone 1 68 - 2 - Peak 423 from nnoeabs.peaks (2.29, 7.40, 113.37 ppm; 3.64 A): 2 out of 2 assignments used, quality = 1.00: * HG2 GLN 26 + HE21 GLN 26 OK 100 100 - 100 - 3.5=100 HG3 GLN 26 + HE21 GLN 26 OK 100 100 - 100 - 3.5=100 Peak 424 from nnoeabs.peaks (2.29, 7.40, 113.37 ppm; 3.64 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLN 26 + HE21 GLN 26 OK 100 100 - 100 - 3.5=100 HG2 GLN 26 + HE21 GLN 26 OK 100 100 - 100 - 3.5=100 Peak 425 from nnoeabs.peaks (7.40, 7.40, 113.37 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 26 + HE21 GLN 26 OK 100 100 - 100 Peak 426 from nnoeabs.peaks (7.64, 7.40, 113.37 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 26 + HE21 GLN 26 OK 100 100 - 100 - 1.7=100 Peak 429 from nnoeabs.peaks (2.02, 7.64, 113.37 ppm; 3.98 A): 2 out of 10 assignments used, quality = 0.99: * HB2 GLN 26 + HE22 GLN 26 OK 89 100 - 89 - 4.6=64, 3.0/431=18...(12) HB3 GLN 26 + HE22 GLN 26 OK 89 100 - 89 - 4.6=64, 3.0/431=18...(12) HB3 ARG 56 - HE22 GLN 26 lone 2 93 - 2 - HB2 GLU 18 - HE22 GLN 26 lone 2 65 - 3 - HB3 GLU 18 - HE22 GLN 26 lone 2 65 - 3 - HB2 MET 11 - HE22 GLN 26 lone 2 68 - 3 - 3.0/4733=1 HB2 GLU 45 - HE22 GLN 26 lone 1 78 - 2 - HB3 GLU 45 - HE22 GLN 26 lone 1 73 - 2 - HB3 GLU 20 - HE22 GLN 26 lone 1 87 - 1 - HB3 GLN 63 - HE22 GLN 26 lone 1 68 - 1 - Peak 430 from nnoeabs.peaks (2.02, 7.64, 113.37 ppm; 3.98 A): 2 out of 10 assignments used, quality = 0.99: HB2 GLN 26 + HE22 GLN 26 OK 89 100 - 89 - 4.6=64, 3.0/431=18...(12) * HB3 GLN 26 + HE22 GLN 26 OK 89 100 - 89 - 4.6=64, 3.0/431=18...(12) HB3 ARG 56 - HE22 GLN 26 lone 2 93 - 2 - HB2 GLU 18 - HE22 GLN 26 lone 2 65 - 3 - HB3 GLU 18 - HE22 GLN 26 lone 2 65 - 3 - HB2 MET 11 - HE22 GLN 26 lone 2 68 - 3 - 3.0/4733=1 HB2 GLU 45 - HE22 GLN 26 lone 1 78 - 2 - HB3 GLU 45 - HE22 GLN 26 lone 1 73 - 2 - HB3 GLU 20 - HE22 GLN 26 lone 1 87 - 1 - HB3 GLN 63 - HE22 GLN 26 lone 1 68 - 1 - Peak 431 from nnoeabs.peaks (2.29, 7.64, 113.37 ppm; 3.11 A): 2 out of 7 assignments used, quality = 0.97: * HG2 GLN 26 + HE22 GLN 26 OK 83 100 - 83 - 3.5=70, 1.8/1595=11...(12) HG3 GLN 26 + HE22 GLN 26 OK 83 100 - 83 - 3.5=70, 1.8/1595=11...(12) HB3 GLU 33 - HE22 GLN 26 lone 2 60 - 4 - 4310/4196=2 HB3 PRO 32 - HE22 GLN 26 lone 2 83 - 2 - HG2 GLU 18 - HE22 GLN 26 lone 2 96 - 2 - HG2 GLN 15 - HE22 GLN 26 lone 1 97 - 1 - HG2 GLU 67 - HE22 GLN 26 lone 1 99 - 1 - Peak 432 from nnoeabs.peaks (2.29, 7.64, 113.37 ppm; 3.11 A): 2 out of 7 assignments used, quality = 0.97: * HG3 GLN 26 + HE22 GLN 26 OK 83 100 - 83 - 3.5=70, 1.8/1595=11...(12) HG2 GLN 26 + HE22 GLN 26 OK 83 100 - 83 - 3.5=70, 1.8/1595=11...(12) HB3 GLU 33 - HE22 GLN 26 lone 3 63 - 4 - 4310/4196=2, 4302/4861=1 HB3 PRO 32 - HE22 GLN 26 lone 2 85 - 2 - HG2 GLU 18 - HE22 GLN 26 lone 2 95 - 2 - HG2 GLN 15 - HE22 GLN 26 lone 1 98 - 1 - HG2 GLU 67 - HE22 GLN 26 lone 1 98 - 1 - Peak 433 from nnoeabs.peaks (7.40, 7.64, 113.37 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 26 + HE22 GLN 26 OK 100 100 - 100 - 1.7=100 Peak 437 from nnoeabs.peaks (2.58, 6.91, 112.23 ppm; 4.43 A): 1 out of 1 assignment used, quality = 0.99: * HB2 GLN 47 + HE21 GLN 47 OK 99 100 - 99 - 4.6=90, 445/1.7=42...(13) Peak 438 from nnoeabs.peaks (1.83, 6.91, 112.23 ppm; 4.76 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 47 + HE21 GLN 47 OK 100 100 - 100 - 4.6=100 Peak 439 from nnoeabs.peaks (2.55, 6.91, 112.23 ppm; 4.15 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 47 + HE21 GLN 47 OK 100 100 - 100 - 3.4=100 Peak 440 from nnoeabs.peaks (2.40, 6.91, 112.23 ppm; 3.68 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 47 + HE21 GLN 47 OK 100 100 - 100 - 3.4=100 Peak 441 from nnoeabs.peaks (6.91, 6.91, 112.23 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 47 + HE21 GLN 47 OK 100 100 - 100 Peak 442 from nnoeabs.peaks (7.67, 6.91, 112.23 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 47 + HE21 GLN 47 OK 100 100 - 100 - 1.7=100 Peak 445 from nnoeabs.peaks (2.58, 7.67, 112.23 ppm; 4.17 A): 1 out of 1 assignment used, quality = 0.96: * HB2 GLN 47 + HE22 GLN 47 OK 96 100 - 96 - 4.6=75, 2347/3.4=38...(12) Peak 446 from nnoeabs.peaks (1.83, 7.67, 112.23 ppm; 4.55 A): 1 out of 8 assignments used, quality = 1.00: * HB3 GLN 47 + HE22 GLN 47 OK 100 100 - 100 - 4.6=97, 1.8/445=43...(11) HB3 MET 11 - HE22 GLN 47 OK 43 98 - 44 - ~4730=17, 3.0/4733=16...(4) HD2 LYS 22 - HE22 GLN 47 OK 13 99 - 13 - 1.8/4560=6, ~4557=3...(4) HB ILE 17 - HE22 GLN 47 lone 9 96 - 9 - 4069/3.4=2, ~4073=2, ~4561=1 HB2 LYS 58 - HE22 GLN 47 lone 3 73 - 4 - HB2 LYS 62 - HE22 GLN 47 lone 2 100 - 2 - HB2 ARG 61 - HE22 GLN 47 lone 2 92 - 2 - HB2 LYS 60 - HE22 GLN 47 lone 2 98 - 2 - Peak 447 from nnoeabs.peaks (2.55, 7.67, 112.23 ppm; 3.94 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 47 + HE22 GLN 47 OK 100 100 - 100 - 3.4=100 Peak 448 from nnoeabs.peaks (2.40, 7.67, 112.23 ppm; 3.56 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 47 + HE22 GLN 47 OK 100 100 - 100 - 3.4=100 Peak 449 from nnoeabs.peaks (6.91, 7.67, 112.23 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 47 + HE22 GLN 47 OK 100 100 - 100 - 1.7=100 Peak 450 from nnoeabs.peaks (7.67, 7.67, 112.23 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 47 + HE22 GLN 47 OK 100 100 - 100 Peak 455 from nnoeabs.peaks (2.44, 6.93, 111.45 ppm; 4.82 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 53 + HE21 GLN 53 OK 100 100 - 100 - 3.5=100 Peak 456 from nnoeabs.peaks (2.37, 6.93, 111.45 ppm; 4.66 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 53 + HE21 GLN 53 OK 100 100 - 100 - 3.5=100 Peak 457 from nnoeabs.peaks (6.93, 6.93, 111.45 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 53 + HE21 GLN 53 OK 100 100 - 100 Peak 458 from nnoeabs.peaks (7.50, 6.93, 111.45 ppm; 2.43 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 53 + HE21 GLN 53 OK 100 100 - 100 - 1.7=100 Peak 463 from nnoeabs.peaks (2.44, 7.50, 111.45 ppm; 4.27 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 53 + HE22 GLN 53 OK 100 100 - 100 - 3.5=100 Peak 464 from nnoeabs.peaks (2.37, 7.50, 111.45 ppm; 4.08 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 53 + HE22 GLN 53 OK 100 100 - 100 - 3.5=100 Peak 465 from nnoeabs.peaks (6.93, 7.50, 111.45 ppm; 2.41 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 53 + HE22 GLN 53 OK 100 100 - 100 - 1.7=100 Peak 466 from nnoeabs.peaks (7.50, 7.50, 111.45 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 53 + HE22 GLN 53 OK 100 100 - 100 Peak 471 from nnoeabs.peaks (2.36, 7.53, 112.44 ppm; 4.23 A): 2 out of 2 assignments used, quality = 1.00: * HG2 GLN 63 + HE21 GLN 63 OK 100 100 - 100 - 3.5=100 HG3 GLN 63 + HE21 GLN 63 OK 100 100 - 100 - 3.5=100 Peak 472 from nnoeabs.peaks (2.36, 7.53, 112.44 ppm; 4.23 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLN 63 + HE21 GLN 63 OK 100 100 - 100 - 3.5=100 HG2 GLN 63 + HE21 GLN 63 OK 100 100 - 100 - 3.5=100 Peak 473 from nnoeabs.peaks (7.53, 7.53, 112.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 63 + HE21 GLN 63 OK 100 100 - 100 Peak 474 from nnoeabs.peaks (6.87, 7.53, 112.44 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 63 + HE21 GLN 63 OK 100 100 - 100 - 1.7=100 Peak 479 from nnoeabs.peaks (2.36, 6.87, 112.44 ppm; 4.73 A): 2 out of 2 assignments used, quality = 1.00: * HG2 GLN 63 + HE22 GLN 63 OK 100 100 - 100 - 3.5=100 HG3 GLN 63 + HE22 GLN 63 OK 100 100 - 100 - 3.5=100 Peak 480 from nnoeabs.peaks (2.36, 6.87, 112.44 ppm; 4.73 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLN 63 + HE22 GLN 63 OK 100 100 - 100 - 3.5=100 HG2 GLN 63 + HE22 GLN 63 OK 100 100 - 100 - 3.5=100 Peak 481 from nnoeabs.peaks (7.53, 6.87, 112.44 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 63 + HE22 GLN 63 OK 100 100 - 100 - 1.7=100 Peak 482 from nnoeabs.peaks (6.87, 6.87, 112.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 63 + HE22 GLN 63 OK 100 100 - 100 Peak 487 from nnoeabs.peaks (7.14, 9.95, 128.50 ppm; 2.89 A): 1 out of 1 assignment used, quality = 1.00: * HD1 TRP 51 + HE1 TRP 51 OK 100 100 - 100 - 2.6=100 Peak 489 from nnoeabs.peaks (9.95, 9.95, 128.50 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE1 TRP 51 + HE1 TRP 51 OK 100 100 - 100 Peak 491 from nnoeabs.peaks (7.25, 9.95, 128.50 ppm; 3.30 A): 1 out of 1 assignment used, quality = 1.00: * HZ2 TRP 51 + HE1 TRP 51 OK 100 100 - 100 - 2.8=100 Peak 493 from nnoeabs.peaks (8.23, 8.23, 121.29 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H MET 11 + H MET 11 OK 100 100 - 100 Peak 494 from nnoeabs.peaks (4.66, 8.23, 121.29 ppm; 3.84 A): 2 out of 2 assignments used, quality = 1.00: * HA MET 11 + H MET 11 OK 100 100 - 100 - 3.0=100 HA HIS 10 + H MET 11 OK 63 63 - 100 - 3.6=100 Peak 495 from nnoeabs.peaks (2.00, 8.23, 121.29 ppm; 4.68 A): 1 out of 1 assignment used, quality = 1.00: * HB2 MET 11 + H MET 11 OK 100 100 - 100 - 3.7=100 Peak 496 from nnoeabs.peaks (1.83, 8.23, 121.29 ppm; 4.33 A): 1 out of 1 assignment used, quality = 1.00: * HB3 MET 11 + H MET 11 OK 100 100 - 100 - 3.7=100 Peak 497 from nnoeabs.peaks (2.39, 8.23, 121.29 ppm; 5.48 A): 1 out of 1 assignment used, quality = 1.00: * HG2 MET 11 + H MET 11 OK 100 100 - 100 - 4.8=100 Peak 498 from nnoeabs.peaks (9.36, 9.36, 119.62 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H SER 12 + H SER 12 OK 100 100 - 100 Peak 499 from nnoeabs.peaks (4.59, 9.36, 119.62 ppm; 4.44 A): 1 out of 1 assignment used, quality = 1.00: * HA SER 12 + H SER 12 OK 100 100 - 100 - 2.9=100 Peak 500 from nnoeabs.peaks (4.37, 9.36, 119.62 ppm; 4.76 A): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 12 + H SER 12 OK 100 100 - 100 - 3.9=100 Peak 501 from nnoeabs.peaks (3.95, 9.36, 119.62 ppm; 4.14 A): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 12 + H SER 12 OK 100 100 - 100 - 3.9=100 Peak 502 from nnoeabs.peaks (7.92, 7.92, 111.33 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H THR 14 + H THR 14 OK 100 100 - 100 Peak 503 from nnoeabs.peaks (3.81, 7.92, 111.33 ppm; 3.48 A): 1 out of 1 assignment used, quality = 1.00: * HA THR 14 + H THR 14 OK 100 100 - 100 - 3.0=100 Peak 504 from nnoeabs.peaks (4.04, 7.92, 111.33 ppm; 3.40 A): 1 out of 6 assignments used, quality = 0.81: * HB THR 14 + H THR 14 OK 81 100 - 81 - 3.9=64, 2.1/505=28...(4) HA LEU 37 - H THR 14 lone 3 92 - 3 - 17/4.6=1 HB THR 46 - H THR 14 lone 1 92 - 1 - HA ARG 21 - H THR 14 lone 1 68 - 2 - HA TRP 51 - H THR 14 lone 1 63 - 1 - HA GLU 33 - H THR 14 lone 1 65 - 1 - Peak 505 from nnoeabs.peaks (1.21, 7.92, 111.33 ppm; 3.71 A): 1 out of 3 assignments used, quality = 0.93: * QG2 THR 14 + H THR 14 OK 93 100 - 93 - 4.0=81, 2.1/504=35...(5) HB2 LEU 43 - H THR 14 lone 2 87 - 2 - HD2 LYS 27 - H THR 14 lone 1 76 - 1 - Peak 506 from nnoeabs.peaks (7.51, 7.51, 120.36 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLN 15 + H GLN 15 OK 100 100 - 100 Peak 507 from nnoeabs.peaks (3.79, 7.51, 120.36 ppm; 3.97 A): 2 out of 2 assignments used, quality = 1.00: * HA GLN 15 + H GLN 15 OK 100 100 - 100 - 3.0=100 HA THR 14 + H GLN 15 OK 85 85 - 100 - 3.6=100 Peak 508 from nnoeabs.peaks (2.50, 7.51, 120.36 ppm; 3.21 A): 3 out of 4 assignments used, quality = 0.92: * HB2 GLN 15 + H GLN 15 OK 80 100 - 80 - 4.0=51, 3.0/1176=16...(12) HG3 GLN 15 + H GLN 15 OK 55 85 - 65 - 5.0=26, 1.8/1168=16...(10) HG3 MET 11 + H GLN 15 OK 14 83 - 16 - 3.0/4017=3, 4736/4012=3...(6) HB2 ASN 54 - H GLN 15 lone 1 60 - 2 - Peak 509 from nnoeabs.peaks (1.63, 7.51, 120.36 ppm; 4.01 A): 1 out of 10 assignments used, quality = 0.99: * HB3 GLN 15 + H GLN 15 OK 99 100 - 99 - 4.0=99 HB2 LEU 41 - H GLN 15 OK 31 90 - 35 - 3.1/4440=6, ~4446=6...(9) HB3 LEU 68 - H GLN 15 lone 8 100 - 8 - 3.0/924=1, 4.3/15=1, 22/4.6=1 HB2 LEU 68 - H GLN 15 lone 7 100 - 7 - 3.0/924=1, 4.3/15=1, 22/4.6=1 HG LEU 68 - H GLN 15 lone 4 87 - 5 - 3.6/924=1 HB3 LEU 64 - H GLN 15 lone 4 90 - 4 - HG LEU 64 - H GLN 15 lone 4 99 - 3 - HD3 LYS 42 - H GLN 15 lone 3 65 - 5 - 6.1/15=1, 406/6.5=1 HG3 ARG 21 - H GLN 15 lone 3 60 - 5 - 22/4.6=1 HB2 LEU 64 - H GLN 15 lone 2 63 - 3 - Peak 510 from nnoeabs.peaks (2.30, 7.51, 120.36 ppm; 4.21 A): 2 out of 8 assignments used, quality = 0.95: * HG2 GLN 15 + H GLN 15 OK 91 100 - 91 - 5.0=58, 1.8/1176=34...(9) HG2 GLU 18 + H GLN 15 OK 38 78 - 48 - 4090/4.0=14, 4096/3.0=8...(11) HG3 GLN 26 - H GLN 15 OK 20 98 - 20 - 4782=4, 1.8/4782=3...(8) HG2 GLN 26 - H GLN 15 OK 20 97 - 20 - 4782=4, 1.8/4782=4...(8) HB3 PRO 32 - H GLN 15 OK 15 97 - 16 - 2.3/4018=4, 2.3/924=3...(7) HB3 GLU 33 - H GLN 15 lone 4 85 - 5 - 4310/4252=1 HG2 GLU 33 - H GLN 15 lone 3 71 - 5 - 4312/4252=1 HG2 GLU 67 - H GLN 15 lone 3 87 - 3 - Peak 511 from nnoeabs.peaks (2.48, 7.51, 120.36 ppm; 3.32 A): 3 out of 5 assignments used, quality = 0.93: * HG3 GLN 15 + H GLN 15 OK 71 100 - 72 - 5.0=29, 1.8/1168=18...(11) HB2 GLN 15 + H GLN 15 OK 71 85 - 83 - 4.0=57, 3.0/1176=17...(11) HG3 MET 11 + H GLN 15 OK 20 100 - 20 - 4736/4012=4, 3.0/4017=3...(9) HB2 ASN 54 - H GLN 15 lone 3 97 - 3 - HG2 GLU 20 - H GLN 15 lone 3 78 - 4 - 4124/4016=1 Peak 514 from nnoeabs.peaks (7.83, 7.83, 117.36 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 16 + H VAL 16 OK 100 100 - 100 Peak 515 from nnoeabs.peaks (3.23, 7.83, 117.36 ppm; 3.58 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 16 + H VAL 16 OK 100 100 - 100 - 3.0=100 Peak 516 from nnoeabs.peaks (2.07, 7.83, 117.36 ppm; 3.08 A): 1 out of 8 assignments used, quality = 0.80: * HB VAL 16 + H VAL 16 OK 80 100 - 80 - 3.9=50, 2.1/1194=29...(7) HB2 LYS 22 - H VAL 16 lone 5 87 - 6 - 4.0/868=1, 3.0/930=1 HG3 PRO 32 - H VAL 16 lone 4 73 - 5 - 3.8/930=1, 4018/4.6=1 HB2 GLN 63 - H VAL 16 lone 3 100 - 3 - HB2 GLU 67 - H VAL 16 lone 2 96 - 2 - HG3 GLU 45 - H VAL 16 lone 1 100 - 1 - HB3 GLU 45 - H VAL 16 lone 1 63 - 1 - HB2 GLU 45 - H VAL 16 lone 1 57 - 1 - Peak 517 from nnoeabs.peaks (1.01, 7.83, 117.36 ppm; 2.99 A): 2 out of 3 assignments used, quality = 0.93: * QG2 VAL 16 + H VAL 16 OK 79 100 - 79 - 1194=42, 2.1/1189=28...(12) QG1 VAL 16 + H VAL 16 OK 66 83 - 80 - 4.0=41, 2.1/1194=28...(11) QG1 VAL 48 - H VAL 16 lone 5 90 - 5 - 1194=2 Peak 518 from nnoeabs.peaks (1.03, 7.83, 117.36 ppm; 2.91 A): 2 out of 2 assignments used, quality = 0.92: * QG1 VAL 16 + H VAL 16 OK 78 100 - 78 - 4.0=38, 2.1/1194=27...(11) QG2 VAL 16 + H VAL 16 OK 62 83 - 75 - 4.0=38, 2.1/1189=26...(10) Peak 519 from nnoeabs.peaks (8.01, 8.01, 118.34 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * H ILE 17 + H ILE 17 OK 100 100 - 100 H HIS 36 - H HIS 36 OK 40 40 - 100 Peak 520 from nnoeabs.peaks (3.69, 8.01, 118.34 ppm; 3.34 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 17 + H ILE 17 OK 100 100 - 100 - 3.0=100 Peak 521 from nnoeabs.peaks (1.84, 8.01, 118.34 ppm; 2.92 A): 3 out of 20 assignments used, quality = 0.87: * HB ILE 17 + H ILE 17 OK 82 100 - 82 - 4.0=40, 2.1/522=21...(15) HG2 ARG 21 + H ILE 17 OK 15 81 - 19 - 4807/4.0=4, 2.9/28=3...(9) HB3 MET 11 + H ILE 17 OK 14 100 - 14 - 4715/4.3=6, 4715/4.3=5 HD2 LYS 22 - H ILE 17 lone 6 85 - 7 - 3.5/29=1 HB ILE 17 - H HIS 36 lone 6 57 - 10 - 1211=2, 2.1/522=2...(5) HB3 ARG 34 - H HIS 36 poor 5 39 - 14 - 4.3/885=6, 3.9/977=5, 3.0/933=2 HB3 ARG 34 - H ILE 17 lone 4 81 - 5 - 3.0/933=2 HG LEU 41 - H ILE 17 lone 4 60 - 6 - 2.1/525=2 HB3 GLN 47 - H ILE 17 lone 2 96 - 2 - HG LEU 41 - H HIS 36 lone 1 27 - 4 - 2114/4.7=1 HB2 LYS 60 - H ILE 17 lone 1 100 - 1 - HG2 ARG 21 - H HIS 36 lone 1 39 - 3 - HB2 LYS 62 - H ILE 17 lone 1 97 - 1 - HB2 LYS 62 - H HIS 36 lone 1 52 - 1 - HB2 LYS 60 - H HIS 36 lone 1 56 - 1 - HB3 GLN 47 - H HIS 36 lone 1 50 - 1 - HB3 MET 11 - H HIS 36 lone 0 56 - 1 - HB2 ARG 61 - H ILE 17 lone 0 65 - 1 - HD2 LYS 22 - H HIS 36 lone 0 42 - 1 - HB2 ARG 61 - H HIS 36 lone 0 30 - 1 - Peak 522 from nnoeabs.peaks (0.81, 8.01, 118.34 ppm; 3.38 A): 1 out of 4 assignments used, quality = 0.92: * QG2 ILE 17 + H ILE 17 OK 92 100 - 92 - 4.0=61, 3.2/523=24...(14) QG2 ILE 17 - H HIS 36 poor 7 57 - 12 - 1218=3, 2.1/1211=2...(5) QD1 ILE 50 - H ILE 17 lone 5 98 - 6 - 35/4.6=1 QD1 ILE 50 - H HIS 36 lone 2 53 - 3 - Peak 523 from nnoeabs.peaks (1.08, 8.01, 118.34 ppm; 3.29 A): 1 out of 2 assignments used, quality = 0.88: * HG12 ILE 17 + H ILE 17 OK 88 100 - 88 - 4.6=38, 1.8/524=31...(11) HG12 ILE 17 - H HIS 36 poor 7 57 - 11 - 1225=3, 1.8/1232=2...(5) Peak 524 from nnoeabs.peaks (1.38, 8.01, 118.34 ppm; 3.23 A): 1 out of 10 assignments used, quality = 0.88: * HG13 ILE 17 + H ILE 17 OK 88 100 - 88 - 4.6=36, 1.8/523=32...(12) HG13 ILE 17 - H HIS 36 poor 6 57 - 11 - 1232=3, 1.8/523=2...(5) HG2 LYS 58 - H HIS 36 lone 1 46 - 3 - ~4788=1 HG2 LYS 58 - H ILE 17 lone 1 90 - 1 - HG3 LYS 42 - H HIS 36 lone 1 39 - 3 - 3747/3.6=2 HG2 LYS 42 - H HIS 36 lone 1 39 - 3 - 3747/3.6=2 HG3 LYS 42 - H ILE 17 lone 1 81 - 1 - HG2 LYS 42 - H ILE 17 lone 1 81 - 1 - HG3 LYS 49 - H HIS 36 lone 1 38 - 3 - HG3 LYS 49 - H ILE 17 lone 0 78 - 1 - Peak 525 from nnoeabs.peaks (0.70, 8.01, 118.34 ppm; 3.80 A): 2 out of 6 assignments used, quality = 0.98: * QD1 ILE 17 + H ILE 17 OK 97 100 - 97 - 5.0=44, 2.1/523=37...(15) HB2 LEU 19 + H ILE 17 OK 46 98 - 47 - 3679/3.6=12, 4063/4.3=9...(10) QD1 LEU 41 - H ILE 17 OK 18 85 - 22 - 38/4.6=4, 3679/3.6=3...(9) QD1 ILE 17 - H HIS 36 poor 9 57 - 15 - 1239=3, 2.1/523=3...(5) QD1 LEU 41 - H HIS 36 poor 5 42 - 12 - 2128/4.7=4, 4.8/175=1...(5) HB2 LEU 19 - H HIS 36 lone 2 53 - 4 - Peak 526 from nnoeabs.peaks (7.55, 7.55, 119.23 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H GLU 18 + H GLU 18 OK 100 100 - 100 H TYR 57 + H TYR 57 OK 69 69 - 100 Peak 527 from nnoeabs.peaks (4.19, 7.55, 119.23 ppm; 3.74 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 18 + H GLU 18 OK 100 100 - 100 - 3.0=100 Peak 528 from nnoeabs.peaks (2.00, 7.55, 119.23 ppm; 3.25 A): 2 out of 20 assignments used, quality = 0.97: * HB2 GLU 18 + H GLU 18 OK 83 100 - 83 - 3.9=56, 3.0/1264=15...(14) HB3 GLU 18 + H GLU 18 OK 83 100 - 83 - 3.9=56, 3.0/1264=15...(14) HB3 ARG 21 - H GLU 18 OK 31 68 - 46 - 4.0/4134=8, ~4138=5...(16) HB2 ARG 21 - H GLU 18 OK 27 60 - 46 - 4.0/4134=8, ~4138=5...(16) HB2 MET 11 - H GLU 18 lone 8 100 - 8 - 4729/932=3, 3672/3671=1 HB3 GLU 18 - H TYR 57 lone 7 76 - 9 - 3.0/1264=2, 3.0/1270=2...(5) HB2 GLU 18 - H TYR 57 lone 7 76 - 9 - 3.0/1264=2, 3.0/1270=2...(5) HG2 PRO 32 - H GLU 18 lone 5 93 - 5 - 2.3/941=2 HD3 ARG 55 - H GLU 18 lone 3 73 - 4 - 1.8/531=1 HB3 GLN 63 - H GLU 18 lone 2 100 - 2 - HB3 ARG 21 - H TYR 57 lone 2 45 - 5 - 4.0/4134=2 HB2 ARG 21 - H TYR 57 lone 2 39 - 4 - 4.0/4134=2 HB2 MET 11 - H TYR 57 lone 2 76 - 2 - HB2 GLN 26 - H GLU 18 lone 1 65 - 2 - HB3 GLN 26 - H GLU 18 lone 1 65 - 2 - HG2 PRO 32 - H TYR 57 lone 1 66 - 1 - HB3 GLN 63 - H TYR 57 lone 1 76 - 1 - HD3 ARG 55 - H TYR 57 lone 1 49 - 1 - HB3 GLN 26 - H TYR 57 lone 0 43 - 1 - HB2 GLN 26 - H TYR 57 lone 0 43 - 1 - Peak 529 from nnoeabs.peaks (2.00, 7.55, 119.23 ppm; 3.25 A): 2 out of 20 assignments used, quality = 0.97: HB2 GLU 18 + H GLU 18 OK 83 100 - 83 - 3.9=56, 3.0/1264=15...(14) * HB3 GLU 18 + H GLU 18 OK 83 100 - 83 - 3.9=56, 3.0/1264=15...(14) HB3 ARG 21 - H GLU 18 OK 31 68 - 46 - 4.0/4134=8, ~4138=5...(16) HB2 ARG 21 - H GLU 18 OK 27 60 - 46 - 4.0/4134=8, ~4138=5...(16) HB2 MET 11 - H GLU 18 lone 8 100 - 8 - 4729/932=3, 3672/3671=1 HB3 GLU 18 - H TYR 57 lone 7 76 - 9 - 3.0/1264=2, 3.0/1270=2...(5) HB2 GLU 18 - H TYR 57 lone 7 76 - 9 - 3.0/1264=2, 3.0/1270=2...(5) HG2 PRO 32 - H GLU 18 lone 5 93 - 5 - 2.3/941=2 HD3 ARG 55 - H GLU 18 lone 3 73 - 4 - 1.8/531=1 HB3 GLN 63 - H GLU 18 lone 2 100 - 2 - HB3 ARG 21 - H TYR 57 lone 2 45 - 5 - 4.0/4134=2 HB2 ARG 21 - H TYR 57 lone 2 39 - 4 - 4.0/4134=2 HB2 MET 11 - H TYR 57 lone 2 76 - 2 - HB2 GLN 26 - H GLU 18 lone 1 65 - 2 - HB3 GLN 26 - H GLU 18 lone 1 65 - 2 - HG2 PRO 32 - H TYR 57 lone 1 66 - 1 - HB3 GLN 63 - H TYR 57 lone 1 76 - 1 - HD3 ARG 55 - H TYR 57 lone 1 49 - 1 - HB3 GLN 26 - H TYR 57 lone 0 43 - 1 - HB2 GLN 26 - H TYR 57 lone 0 43 - 1 - Peak 530 from nnoeabs.peaks (2.28, 7.55, 119.23 ppm; 4.05 A): 3 out of 10 assignments used, quality = 0.89: * HG2 GLU 18 + H GLU 18 OK 85 100 - 85 - 4.9=56, 1.8/1270=21...(14) HG2 GLN 15 + H GLU 18 OK 17 78 - 22 - 3.8/3671=15, 3363/932=4 HG2 GLU 18 + H TYR 57 OK 11 76 - 14 - 1264=5, 1.8/1270=3...(4) HG2 GLU 67 - H GLU 18 lone 4 100 - 4 - 4.9/942=2 HG2 GLN 15 - H TYR 57 lone 3 52 - 6 - 3.8/3671=4, 3363/932=1 HG2 GLN 26 - H GLU 18 lone 2 96 - 3 - HG3 GLN 26 - H GLU 18 lone 2 95 - 3 - HG2 GLN 26 - H TYR 57 lone 1 69 - 2 - HG3 GLN 26 - H TYR 57 lone 1 67 - 2 - HG2 GLU 67 - H TYR 57 lone 1 75 - 1 - Peak 531 from nnoeabs.peaks (2.41, 7.55, 119.23 ppm; 3.55 A): 2 out of 14 assignments used, quality = 0.86: * HG3 GLU 18 + H GLU 18 OK 78 100 - 78 - 4.9=38, 1.8/1264=22...(17) HG3 GLU 20 + H GLU 18 OK 35 90 - 39 - 4122/3.6=8, 1270=7...(10) HG3 GLN 47 - H GLU 18 lone 10 100 - 9 - 1270=2, 4073/4.3=1...(5) HG3 GLU 18 - H TYR 57 poor 9 76 - 11 - 1.8/1264=3, 1270=3...(4) HB3 LYS 22 - H GLU 18 poor 8 65 - 12 - 4.0/32=2, 1251/3.0=2...(6) HG2 GLU 45 - H GLU 18 lone 8 98 - 8 - 4068/3.6=2, 4073/4.3=1...(4) HD2 ARG 55 - H GLU 18 lone 7 100 - 7 - 44/4.7=1, 1251/3.0=1 HG2 MET 11 - H GLU 18 lone 5 81 - 6 - HG3 GLU 20 - H TYR 57 lone 4 63 - 6 - 5.0/949=2, 1270=1 HB3 LYS 22 - H TYR 57 lone 3 43 - 7 - 4715/4.4=2, 3.0/1062=1 HG3 GLN 47 - H TYR 57 lone 2 75 - 2 - HG2 GLU 45 - H TYR 57 lone 1 72 - 2 - HG2 MET 11 - H TYR 57 lone 1 54 - 2 - HD2 ARG 55 - H TYR 57 lone 1 76 - 1 - Peak 532 from nnoeabs.peaks (7.98, 7.98, 124.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 19 + H LEU 19 OK 100 100 - 100 Peak 533 from nnoeabs.peaks (3.64, 7.98, 124.25 ppm; 3.85 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 19 + H LEU 19 OK 100 100 - 100 - 2.9=100 Peak 534 from nnoeabs.peaks (0.71, 7.98, 124.25 ppm; 3.35 A): 3 out of 3 assignments used, quality = 0.95: * HB2 LEU 19 + H LEU 19 OK 86 100 - 86 - 4.0=58, 3.0/536=23...(11) QD1 LEU 41 + H LEU 19 OK 48 97 - 50 - 4438=14, 4816/4.7=14...(12) QD1 ILE 17 + H LEU 19 OK 33 98 - 34 - 4.2/943=15, 38/4.7=4...(9) Peak 535 from nnoeabs.peaks (-0.76, 7.98, 124.25 ppm; 4.17 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 19 + H LEU 19 OK 100 100 - 100 - 4.0=100 Peak 536 from nnoeabs.peaks (1.24, 7.98, 124.25 ppm; 3.33 A): 1 out of 5 assignments used, quality = 0.75: * HG LEU 19 + H LEU 19 OK 75 100 - 75 - 1297=28, 2.1/537=24...(10) HB2 LEU 43 - H LEU 19 lone 7 92 - 7 - 4.0/947=2, ~4491=1 HB2 LEU 29 - H LEU 19 lone 3 100 - 3 - HD2 LYS 27 - H LEU 19 lone 1 97 - 1 - QG2 THR 46 - H LEU 19 lone 1 97 - 1 - Peak 537 from nnoeabs.peaks (0.53, 7.98, 124.25 ppm; 4.02 A): 1 out of 1 assignment used, quality = 0.94: * QD2 LEU 19 + H LEU 19 OK 94 100 - 94 - 4.7=63, 1281/2.9=38...(11) Peak 538 from nnoeabs.peaks (-0.28, 7.98, 124.25 ppm; 4.08 A): 2 out of 3 assignments used, quality = 0.95: * QD1 LEU 19 + H LEU 19 OK 94 100 - 94 - 4.7=66, 2.1/536=38...(10) HG2 ARG 55 + H LEU 19 OK 11 100 - 11 - 51/4.6=3, 3.0/44=2...(5) HB3 ARG 55 - H LEU 19 lone 9 100 - 9 - 51/4.6=3, 3.7/44=2...(4) Peak 539 from nnoeabs.peaks (8.41, 8.41, 118.68 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 20 + H GLU 20 OK 100 100 - 100 Peak 540 from nnoeabs.peaks (4.22, 8.41, 118.68 ppm; 3.70 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 20 + H GLU 20 OK 100 100 - 100 - 3.0=100 Peak 541 from nnoeabs.peaks (2.16, 8.41, 118.68 ppm; 3.38 A): 2 out of 4 assignments used, quality = 0.87: * HB2 GLU 20 + H GLU 20 OK 86 100 - 86 - 4.0=59, 1.8/542=23...(9) HB2 GLN 53 + H GLU 20 OK 13 93 - 14 - 1324=3, 4.0/952=3...(5) HB3 LYS 42 - H GLU 20 lone 5 97 - 5 - 3500/4.6=2, 4.7/872=1 HB VAL 48 - H GLU 20 lone 2 100 - 2 - Peak 542 from nnoeabs.peaks (2.04, 8.41, 118.68 ppm; 3.49 A): 4 out of 7 assignments used, quality = 0.93: * HB3 GLU 20 + H GLU 20 OK 89 100 - 89 - 4.0=65, 1.8/541=30...(9) HB2 LYS 22 + H GLU 20 OK 16 90 - 18 - 4.0/959=9, 3701/3.6=5, 55/4.6=2 HB2 GLU 45 + H GLU 20 OK 11 100 - 10 - 1330=3, 1.8/1330=2...(5) HB3 GLU 45 + H GLU 20 OK 10 99 - 10 - 1330=2, 1.8/1330=2...(5) HB3 ARG 56 - H GLU 20 lone 4 100 - 4 - 4.6/949=2 HB2 GLN 26 - H GLU 20 lone 1 87 - 1 - HB3 GLN 26 - H GLU 20 lone 1 87 - 1 - Peak 543 from nnoeabs.peaks (2.46, 8.41, 118.68 ppm; 3.55 A): 1 out of 5 assignments used, quality = 0.83: * HG2 GLU 20 + H GLU 20 OK 83 100 - 83 - 5.0=35, 3.0/541=23...(12) HG2 GLN 53 - H GLU 20 poor 8 71 - 11 - 3.0/541=4, 5.1/952=2...(4) HB2 ASN 54 - H GLU 20 lone 7 96 - 7 - 4.1/872=2, 1322/3.0=2, 56/4.6=1 HG3 MET 11 - H GLU 20 lone 5 81 - 6 - 4723/4120=1 HG3 GLN 15 - H GLU 20 lone 2 78 - 3 - Peak 544 from nnoeabs.peaks (2.42, 8.41, 118.68 ppm; 3.64 A): 4 out of 6 assignments used, quality = 0.92: * HG3 GLU 20 + H GLU 20 OK 85 100 - 85 - 5.0=37, 1.8/1336=24...(13) HG3 GLU 18 + H GLU 20 OK 32 90 - 36 - 3.9/3691=10, 4.9/949=8...(9) HD2 ARG 55 + H GLU 20 OK 11 90 - 13 - 3.0/51=3, 3.7/51=2...(4) HG2 GLN 53 + H GLU 20 OK 11 92 - 12 - 3.0/541=4, 5.1/952=2...(4) HG2 GLU 45 - H GLU 20 poor 8 71 - 11 - 3.0/542=2, 3.0/542=2...(5) HG3 GLN 47 - H GLU 20 lone 5 83 - 6 - Peak 545 from nnoeabs.peaks (8.31, 8.31, 121.06 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ARG 21 + H ARG 21 OK 100 100 - 100 Peak 546 from nnoeabs.peaks (4.07, 8.31, 121.06 ppm; 3.44 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 21 + H ARG 21 OK 100 100 - 100 - 2.9=100 Peak 547 from nnoeabs.peaks (1.97, 8.31, 121.06 ppm; 2.84 A): 4 out of 9 assignments used, quality = 0.94: * HB2 ARG 21 + H ARG 21 OK 71 100 - 71 - 4.0=35, 1.8/1364=11...(15) HB3 ARG 21 + H ARG 21 OK 71 100 - 71 - 4.0=35, 1.8/1364=11...(15) HB2 GLU 18 + H ARG 21 OK 17 60 - 29 - 3.0/3692=12, 3.9/4134=7...(5) HB3 GLU 18 + H ARG 21 OK 17 60 - 29 - 3.0/3692=12, 3.9/4134=7...(5) HD3 LYS 22 - H ARG 21 lone 8 99 - 8 - 560/4.6=3, 3.5/55=2 HB2 ARG 34 - H ARG 21 lone 4 63 - 6 - 1.8/549=1 HB3 GLU 67 - H ARG 21 lone 3 99 - 3 - 4.0/52=1 HD3 ARG 55 - H ARG 21 lone 2 100 - 2 - HG2 PRO 32 - H ARG 21 lone 1 92 - 1 - Peak 548 from nnoeabs.peaks (1.97, 8.31, 121.06 ppm; 2.84 A): 4 out of 10 assignments used, quality = 0.95: * HB3 ARG 21 + H ARG 21 OK 71 100 - 71 - 4.0=35, 1.8/1364=11...(15) HB2 ARG 21 + H ARG 21 OK 71 100 - 71 - 4.0=35, 1.8/1364=11...(15) HB3 GLU 18 + H ARG 21 OK 20 68 - 29 - 3.0/3692=12, 3.9/4134=7...(5) HB2 GLU 18 + H ARG 21 OK 20 68 - 29 - 3.0/3692=12, 3.9/4134=7...(5) HD3 LYS 22 - H ARG 21 lone 8 98 - 8 - 60/4.6=3, 3.5/55=2 HB3 GLU 67 - H ARG 21 lone 3 97 - 3 - 4.0/52=1 HD3 ARG 55 - H ARG 21 lone 2 100 - 2 - HB2 MET 11 - H ARG 21 lone 1 65 - 2 - HG2 PRO 32 - H ARG 21 lone 1 96 - 1 - HB3 GLN 63 - H ARG 21 lone 1 65 - 1 - Peak 549 from nnoeabs.peaks (1.86, 8.31, 121.06 ppm; 3.74 A): 2 out of 8 assignments used, quality = 0.94: * HG2 ARG 21 + H ARG 21 OK 90 100 - 90 - 4.7=51, 1373/2.9=20...(16) HB ILE 17 + H ARG 21 OK 44 81 - 55 - 3.0/956=23, 2.1/4135=16...(9) HG LEU 41 - H ARG 21 OK 17 99 - 18 - 1352/2.9=3, 62/4.6=3...(9) HB3 ARG 34 - H ARG 21 OK 12 100 - 12 - 3724/3.6=3, 62/4.6=2...(4) HB3 MET 11 - H ARG 21 lone 3 73 - 4 - HB2 GLU 33 - H ARG 21 lone 3 73 - 4 - HB3 LYS 49 - H ARG 21 lone 2 78 - 2 - HB2 LYS 60 - H ARG 21 lone 2 73 - 2 - Peak 550 from nnoeabs.peaks (1.60, 8.31, 121.06 ppm; 4.35 A): 1 out of 10 assignments used, quality = 0.98: * HG3 ARG 21 + H ARG 21 OK 98 100 - 98 - 4.7=79, 1.8/1372=31...(16) HB3 LEU 43 - H ARG 21 OK 21 100 - 21 - 1.8/2232=4, 3.1/2253=4...(7) HB2 LEU 41 - H ARG 21 OK 20 95 - 22 - 4.6/892=4, 3.0/549=4...(8) HG2 ARG 61 - H ARG 21 OK 12 99 - 12 - 63/4.6=3, 1381/2.9=2...(6) HG3 ARG 61 - H ARG 21 OK 12 98 - 12 - 63/4.6=3, 1381/2.9=2...(6) HG3 ARG 34 - H ARG 21 poor 9 87 - 10 - 3.0/549=3, 63/4.6=1...(4) HB3 LEU 64 - H ARG 21 lone 3 95 - 3 - HG LEU 68 - H ARG 21 lone 3 97 - 3 - HB3 GLN 15 - H ARG 21 lone 2 60 - 3 - HB3 LEU 68 - H ARG 21 lone 2 65 - 3 - Peak 551 from nnoeabs.peaks (3.20, 8.31, 121.06 ppm; 4.95 A): 1 out of 6 assignments used, quality = 0.95: * HD2 ARG 21 + H ARG 21 OK 95 100 - 95 - 6.3=48, 2.9/1372=31...(15) HA VAL 16 - H ARG 21 OK 25 71 - 35 - 3683/4.6=12, 3.6/873=11...(9) HB2 HIS 36 - H ARG 21 OK 12 96 - 12 - 1354/2.9=3, 4.0/954=3...(5) HB3 HIS 36 - H ARG 21 OK 12 96 - 12 - 1354/2.9=3, 4.0/954=3...(5) HB2 HIS 13 - H ARG 21 lone 5 96 - 5 - HB2 HIS 10 - H ARG 21 lone 3 100 - 3 - Peak 552 from nnoeabs.peaks (3.23, 8.31, 121.06 ppm; 4.88 A): 2 out of 3 assignments used, quality = 0.97: * HD3 ARG 21 + H ARG 21 OK 95 100 - 95 - 6.3=46, 2.9/1372=30...(18) HA VAL 16 + H ARG 21 OK 46 98 - 47 - 3683/4.6=20, 3.6/873=11...(9) HB2 HIS 13 - H ARG 21 lone 5 78 - 6 - 951/4.6=1 Peak 553 from nnoeabs.peaks (8.03, 8.03, 120.92 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 22 + H LYS 22 OK 100 100 - 100 Peak 554 from nnoeabs.peaks (4.35, 8.03, 120.92 ppm; 3.54 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 22 + H LYS 22 OK 100 100 - 100 - 2.9=100 Peak 555 from nnoeabs.peaks (2.06, 8.03, 120.92 ppm; 3.28 A): 4 out of 9 assignments used, quality = 0.90: * HB2 LYS 22 + H LYS 22 OK 83 100 - 83 - 4.0=54, 1.8/556=21...(14) HB3 GLU 20 + H LYS 22 OK 24 90 - 27 - 4.1/58=11, 3.0/958=8...(4) HB3 GLU 45 + H LYS 22 OK 11 97 - 11 - 4.6/962=4, 3.0/960=4, 3.0/556=2 HB2 GLU 45 + H LYS 22 OK 11 96 - 11 - 4.6/962=4, 3.0/960=4, 3.0/556=2 HB VAL 16 - H LYS 22 lone 9 87 - 10 - 2.1/3368=2, 3366=2...(5) HG3 GLU 45 - H LYS 22 lone 8 92 - 8 - 3.9/960=3, 1.8/556=3 HB2 GLU 67 - H LYS 22 lone 3 57 - 5 - 4.0/959=2, 4.7/962=1, 1.8/560=1 HB2 GLN 63 - H LYS 22 lone 3 81 - 3 - HB3 ARG 56 - H LYS 22 lone 2 83 - 2 - Peak 556 from nnoeabs.peaks (2.38, 8.03, 120.92 ppm; 3.47 A): 3 out of 9 assignments used, quality = 0.90: * HB3 LYS 22 + H LYS 22 OK 88 100 - 88 - 4.0=64, 1.8/555=21...(12) HG3 GLN 53 + H LYS 22 OK 12 96 - 12 - 1.8/2647=3, 3.0/2639=3...(4) HG2 GLU 45 + H LYS 22 OK 11 87 - 13 - 3.9/960=3, 3.0/555=2...(4) HG3 GLU 18 - H LYS 22 poor 10 65 - 15 - 3.9/961=9, 3.0/61=1...(4) HG3 GLN 47 - H LYS 22 lone 5 76 - 7 - 3.0/559=1 HG3 GLN 63 - H LYS 22 lone 3 83 - 3 - HG2 MET 11 - H LYS 22 lone 3 99 - 3 - HG2 GLN 63 - H LYS 22 lone 3 78 - 3 - HD2 ARG 55 - H LYS 22 lone 1 65 - 2 - Peak 557 from nnoeabs.peaks (1.71, 8.03, 120.92 ppm; 4.17 A): 2 out of 11 assignments used, quality = 0.93: * HG2 LYS 22 + H LYS 22 OK 91 100 - 91 - 5.1=54, 2.9/556=24...(14) HB3 LEU 37 + H LYS 22 OK 24 87 - 27 - 3.1/4147=8, 3.0/3758=5...(5) HG13 ILE 50 - H LYS 22 OK 20 78 - 25 - 3.2/4147=6, 2.1/4598=5...(7) HB3 ARG 61 - H LYS 22 OK 17 95 - 18 - 1.8/559=4, 2.9/63=3...(6) HD2 LYS 39 - H LYS 22 poor 9 83 - 11 - 3.0/3484=2, 6.2/889=2...(4) HD3 LYS 39 - H LYS 22 poor 9 83 - 11 - 3.0/3484=2, 6.2/889=2...(4) HD2 LYS 42 - H LYS 22 lone 6 99 - 6 - 4.8/4467=3, 3.8/2631=1 HD2 LYS 49 - H LYS 22 lone 4 97 - 5 - HD3 LYS 49 - H LYS 22 lone 4 96 - 5 - HB2 ARG 56 - H LYS 22 lone 2 99 - 2 - HB3 LYS 58 - H LYS 22 lone 2 89 - 2 - Peak 558 from nnoeabs.peaks (1.68, 8.03, 120.92 ppm; 4.13 A): 3 out of 13 assignments used, quality = 0.94: * HG3 LYS 22 + H LYS 22 OK 90 100 - 91 - 5.1=52, 2.9/556=24...(13) HB2 LEU 37 + H LYS 22 OK 24 93 - 26 - 3.1/4147=8, 3.0/3758=5...(5) HG13 ILE 50 + H LYS 22 OK 23 93 - 25 - 3.2/4147=6, 2.1/4598=5...(7) HD3 LYS 39 - H LYS 22 poor 10 90 - 11 - 3.0/3484=2, 6.2/889=1...(5) HD2 LYS 39 - H LYS 22 poor 10 90 - 11 - 3.0/3484=2, 6.2/889=1...(5) HD2 LYS 62 - H LYS 22 lone 6 99 - 6 - 5.8/58=2, 3.4/559=1 HD3 LYS 62 - H LYS 22 lone 6 98 - 6 - 5.8/58=2, 3.4/559=1 HD3 LYS 42 - H LYS 22 lone 5 87 - 6 - 4.8/4467=3, 3.8/2631=1 HB2 LEU 64 - H LYS 22 lone 4 89 - 5 - 1.8/63=1 HD3 LYS 49 - H LYS 22 lone 3 73 - 4 - HD2 LYS 49 - H LYS 22 lone 3 71 - 4 - HD2 LYS 60 - H LYS 22 lone 2 99 - 2 - HD3 LYS 60 - H LYS 22 lone 2 99 - 2 - Peak 559 from nnoeabs.peaks (1.82, 8.03, 120.92 ppm; 4.57 A): 1 out of 9 assignments used, quality = 0.95: * HD2 LYS 22 + H LYS 22 OK 95 100 - 95 - 6.1=41, 1410/2.9=31...(16) HB2 ARG 61 - H LYS 22 OK 21 99 - 21 - 2.9/63=4, 2.9/63=4...(6) HB ILE 17 - H LYS 22 OK 20 85 - 24 - 2.1/1218=5, 1410/2.9=3...(8) HB3 GLN 47 - H LYS 22 OK 13 99 - 13 - 1410/2.9=2, 4.7/219=2...(6) HB2 LYS 62 - H LYS 22 lone 10 98 - 10 - 4.0/58=4, 3.4/558=1, 3.4/558=1 HB3 MET 11 - H LYS 22 lone 5 90 - 5 - HB2 LYS 60 - H LYS 22 lone 3 90 - 4 - HB2 LYS 58 - H LYS 22 lone 2 89 - 3 - HB2 PRO 32 - H LYS 22 lone 2 76 - 3 - Peak 560 from nnoeabs.peaks (1.96, 8.03, 120.92 ppm; 3.26 A): 3 out of 8 assignments used, quality = 0.97: * HD3 LYS 22 + H LYS 22 OK 74 100 - 75 - 6.1=15, 1465/2.9=15...(14) HB2 ARG 21 + H LYS 22 OK 64 99 - 64 - 4.5=39, 4.0/58=11...(9) HB3 ARG 21 + H LYS 22 OK 63 98 - 64 - 4.5=39, 4.0/58=11...(9) HB ILE 50 - H LYS 22 OK 14 73 - 19 - 2.1/4147=4, 3.0/3803=3...(7) HB2 ARG 34 - H LYS 22 poor 9 78 - 11 - 4829/4.6=2, 1.8/62=2, 4.3/962=2 HB3 GLU 67 - H LYS 22 lone 6 100 - 6 - 4.0/959=2, 4.7/962=1 HD3 ARG 55 - H LYS 22 lone 2 97 - 2 - HG2 PRO 32 - H LYS 22 lone 1 81 - 1 - Peak 563 from nnoeabs.peaks (8.99, 8.99, 121.58 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H PHE 23 + H PHE 23 OK 100 100 - 100 Peak 564 from nnoeabs.peaks (4.76, 8.99, 121.58 ppm; 4.14 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 23 + H PHE 23 OK 100 100 - 100 - 3.0=100 Peak 565 from nnoeabs.peaks (3.15, 8.99, 121.58 ppm; 3.84 A): 1 out of 4 assignments used, quality = 0.96: * HB2 PHE 23 + H PHE 23 OK 96 100 - 96 - 4.0=87, 1.8/566=35...(7) HB3 TYR 57 - H PHE 23 lone 8 96 - 8 - 3835/3.6=3, 1.8/566=3, 78/4.6=1 HD3 ARG 61 - H PHE 23 lone 3 95 - 3 - HD2 ARG 61 - H PHE 23 lone 3 95 - 3 - Peak 566 from nnoeabs.peaks (3.08, 8.99, 121.58 ppm; 3.75 A): 1 out of 3 assignments used, quality = 0.94: * HB3 PHE 23 + H PHE 23 OK 94 100 - 94 - 4.0=81, 1.8/565=31...(7) HB2 TYR 57 - H PHE 23 lone 7 92 - 8 - 3833/3.6=3, 1.8/565=3, 79/4.6=1 HB3 HIS 10 - H PHE 23 lone 1 65 - 1 - Peak 567 from nnoeabs.peaks (7.18, 8.99, 121.58 ppm; 4.70 A): 2 out of 3 assignments used, quality = 0.97: * QE PHE 23 + H PHE 23 OK 89 100 - 89 - 6.5=37, 2.2/4633=35...(10) HZ PHE 52 + H PHE 23 OK 74 100 - 74 - 4638/3.0=29, ~4703=24...(8) H GLU 33 - H PHE 23 OK 14 57 - 23 - 4.7/4828=7, 4.0/4301=4...(6) Peak 568 from nnoeabs.peaks (7.06, 8.99, 121.58 ppm; 4.72 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 23 + H PHE 23 OK 100 100 - 100 - 4.6=100 Peak 569 from nnoeabs.peaks (8.13, 8.13, 111.74 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H SER 24 + H SER 24 OK 100 100 - 100 Peak 570 from nnoeabs.peaks (4.08, 8.13, 111.74 ppm; 3.45 A): 1 out of 1 assignment used, quality = 1.00: * HA SER 24 + H SER 24 OK 100 100 - 100 - 3.0=100 Peak 571 from nnoeabs.peaks (3.97, 8.13, 111.74 ppm; 3.14 A): 2 out of 7 assignments used, quality = 0.94: * HB2 SER 24 + H SER 24 OK 76 100 - 76 - 4.0=47, 1.8/1532=15...(10) HB3 SER 24 + H SER 24 OK 76 100 - 76 - 4.0=47, 1.8/1528=15...(10) HA ALA 35 - H SER 24 lone 2 96 - 2 - HA GLN 47 - H SER 24 lone 2 97 - 2 - HA LYS 42 - H SER 24 lone 2 97 - 2 - HB3 SER 12 - H SER 24 lone 1 81 - 1 - HB2 SER 66 - H SER 24 lone 0 65 - 1 - Peak 572 from nnoeabs.peaks (3.97, 8.13, 111.74 ppm; 3.14 A): 2 out of 7 assignments used, quality = 0.94: * HB3 SER 24 + H SER 24 OK 76 100 - 76 - 4.0=47, 1.8/1528=15...(10) HB2 SER 24 + H SER 24 OK 76 100 - 76 - 4.0=47, 1.8/1532=15...(10) HA ALA 35 - H SER 24 lone 2 97 - 2 - HA GLN 47 - H SER 24 lone 2 95 - 2 - HA LYS 42 - H SER 24 lone 2 98 - 2 - HB3 SER 12 - H SER 24 lone 1 76 - 1 - HB2 SER 66 - H SER 24 lone 0 60 - 1 - Peak 573 from nnoeabs.peaks (7.63, 7.63, 118.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H HIS 25 + H HIS 25 OK 100 100 - 100 Peak 574 from nnoeabs.peaks (4.70, 7.63, 118.44 ppm; 4.29 A): 1 out of 1 assignment used, quality = 1.00: * HA HIS 25 + H HIS 25 OK 100 100 - 100 - 2.9=100 Peak 575 from nnoeabs.peaks (3.37, 7.63, 118.44 ppm; 4.00 A): 1 out of 1 assignment used, quality = 1.00: * HB2 HIS 25 + H HIS 25 OK 100 100 - 100 - 3.9=100 Peak 576 from nnoeabs.peaks (3.31, 7.63, 118.44 ppm; 3.79 A): 1 out of 2 assignments used, quality = 0.93: * HB3 HIS 25 + H HIS 25 OK 93 100 - 93 - 3.9=91, 4.2/877=21, 4161/4179=4 HB3 TRP 51 - H HIS 25 lone 1 90 - 1 - Peak 578 from nnoeabs.peaks (8.51, 8.51, 121.11 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLN 26 + H GLN 26 OK 100 100 - 100 Peak 579 from nnoeabs.peaks (4.49, 8.51, 121.11 ppm; 3.78 A): 1 out of 1 assignment used, quality = 1.00: * HA GLN 26 + H GLN 26 OK 100 100 - 100 - 2.9=100 Peak 580 from nnoeabs.peaks (2.02, 8.51, 121.11 ppm; 3.60 A): 2 out of 10 assignments used, quality = 0.99: * HB2 GLN 26 + H GLN 26 OK 90 100 - 90 - 3.9=78, 3.0/582=12...(13) HB3 GLN 26 + H GLN 26 OK 90 100 - 90 - 3.9=78, 3.0/582=12...(13) HB2 GLU 18 - H GLN 26 lone 2 65 - 3 - HB3 GLU 18 - H GLN 26 lone 2 65 - 3 - HB3 ARG 56 - H GLN 26 lone 1 93 - 2 - HB2 GLU 45 - H GLN 26 lone 1 78 - 1 - HB3 GLU 45 - H GLN 26 lone 1 73 - 1 - HB2 MET 11 - H GLN 26 lone 1 68 - 1 - HB3 GLN 63 - H GLN 26 lone 1 68 - 1 - HB3 GLU 20 - H GLN 26 lone 1 87 - 1 - Peak 581 from nnoeabs.peaks (2.02, 8.51, 121.11 ppm; 3.60 A): 2 out of 10 assignments used, quality = 0.99: HB2 GLN 26 + H GLN 26 OK 90 100 - 90 - 3.9=78, 3.0/582=12...(13) * HB3 GLN 26 + H GLN 26 OK 90 100 - 90 - 3.9=78, 3.0/582=12...(13) HB2 GLU 18 - H GLN 26 lone 2 65 - 3 - HB3 GLU 18 - H GLN 26 lone 2 65 - 3 - HB3 ARG 56 - H GLN 26 lone 1 93 - 2 - HB2 GLU 45 - H GLN 26 lone 1 78 - 1 - HB3 GLU 45 - H GLN 26 lone 1 73 - 1 - HB2 MET 11 - H GLN 26 lone 1 68 - 1 - HB3 GLN 63 - H GLN 26 lone 1 68 - 1 - HB3 GLU 20 - H GLN 26 lone 1 87 - 1 - Peak 582 from nnoeabs.peaks (2.29, 8.51, 121.11 ppm; 3.77 A): 2 out of 7 assignments used, quality = 0.97: * HG2 GLN 26 + H GLN 26 OK 84 100 - 84 - 4.9=45, 1581/2.9=14...(14) HG3 GLN 26 + H GLN 26 OK 84 100 - 84 - 4.9=45, 1589/2.9=14...(14) HG2 GLU 18 - H GLN 26 lone 4 96 - 4 - 4184/4.2=1, 4182/4.2=1 HG2 GLN 15 - H GLN 26 lone 2 97 - 2 - HG2 GLU 67 - H GLN 26 lone 2 99 - 2 - HB3 PRO 32 - H GLN 26 lone 1 83 - 2 - HB3 GLU 33 - H GLN 26 lone 1 60 - 2 - Peak 583 from nnoeabs.peaks (2.29, 8.51, 121.11 ppm; 3.77 A): 2 out of 7 assignments used, quality = 0.97: HG2 GLN 26 + H GLN 26 OK 84 100 - 84 - 4.9=45, 1581/2.9=14...(14) * HG3 GLN 26 + H GLN 26 OK 84 100 - 84 - 4.9=45, 1589/2.9=14...(14) HG2 GLU 18 - H GLN 26 lone 4 95 - 4 - 4184/4.2=1, 4182/4.2=1 HG2 GLN 15 - H GLN 26 lone 2 98 - 2 - HG2 GLU 67 - H GLN 26 lone 2 98 - 2 - HB3 PRO 32 - H GLN 26 lone 1 85 - 2 - HB3 GLU 33 - H GLN 26 lone 1 63 - 2 - 4310/1751=1 Peak 586 from nnoeabs.peaks (8.12, 8.12, 119.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 27 + H LYS 27 OK 100 100 - 100 Peak 587 from nnoeabs.peaks (3.90, 8.12, 119.98 ppm; 3.66 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 27 + H LYS 27 OK 100 100 - 100 - 3.0=100 Peak 588 from nnoeabs.peaks (1.42, 8.12, 119.98 ppm; 3.75 A): 1 out of 8 assignments used, quality = 0.97: * HB2 LYS 27 + H LYS 27 OK 97 100 - 97 - 4.0=85, 1.8/589=33...(8) HG3 LYS 49 - H LYS 27 lone 8 83 - 10 - 1.8/589=5, ~3781=2...(4) HB3 LEU 41 - H LYS 27 lone 4 98 - 4 - HG2 LYS 39 - H LYS 27 lone 2 96 - 2 - HG2 LYS 60 - H LYS 27 lone 1 99 - 1 - HG3 LYS 60 - H LYS 27 lone 1 98 - 1 - HG3 LYS 62 - H LYS 27 lone 1 92 - 1 - HG2 LYS 62 - H LYS 27 lone 1 92 - 1 - Peak 589 from nnoeabs.peaks (1.56, 8.12, 119.98 ppm; 3.32 A): 2 out of 8 assignments used, quality = 0.90: * HB3 LYS 27 + H LYS 27 OK 89 100 - 89 - 4.0=59, 3.0/591=25...(11) HG2 LYS 49 + H LYS 27 OK 13 97 - 13 - 4586/5.0=8, 1.8/588=2...(4) QB ALA 31 - H LYS 27 lone 2 100 - 2 - HG3 ARG 34 - H LYS 27 lone 2 68 - 3 - HG3 LYS 39 - H LYS 27 lone 2 92 - 2 - HG LEU 37 - H LYS 27 lone 2 100 - 2 - HD3 LYS 58 - H LYS 27 lone 2 83 - 2 - HD2 LYS 58 - H LYS 27 lone 2 83 - 2 - Peak 590 from nnoeabs.peaks (0.63, 8.12, 119.98 ppm; 3.80 A): 1 out of 3 assignments used, quality = 0.91: * HG2 LYS 27 + H LYS 27 OK 91 100 - 92 - 5.0=45, 1.8/591=42...(10) QD1 LEU 43 - H LYS 27 lone 2 76 - 3 - HB2 ARG 55 - H LYS 27 lone 2 87 - 2 - Peak 591 from nnoeabs.peaks (1.16, 8.12, 119.98 ppm; 3.43 A): 1 out of 1 assignment used, quality = 0.83: * HG3 LYS 27 + H LYS 27 OK 83 100 - 83 - 5.0=33, 1.8/590=29...(10) Peak 592 from nnoeabs.peaks (1.23, 8.12, 119.98 ppm; 4.47 A): 1 out of 6 assignments used, quality = 0.96: * HD2 LYS 27 + H LYS 27 OK 96 100 - 96 - 2.9/591=41, 6.1=39...(9) HB2 LEU 29 - H LYS 27 OK 18 96 - 19 - 4.0/91=8, 4223/4.9=4...(4) QG2 THR 14 - H LYS 27 lone 6 76 - 8 - 4745/4663=2, 4.0/879=2 HG LEU 19 - H LYS 27 lone 6 97 - 6 - 1602/3.0=2, 4109/5.0=2 HB2 LEU 43 - H LYS 27 lone 6 100 - 5 - 1602/3.0=2, 4473/6.1=1 QG2 THR 46 - H LYS 27 lone 3 83 - 3 - 1602/3.0=1 Peak 593 from nnoeabs.peaks (1.33, 8.12, 119.98 ppm; 4.87 A): 1 out of 6 assignments used, quality = 0.98: * HD3 LYS 27 + H LYS 27 OK 98 100 - 98 - 6.1=50, 2.9/591=45...(9) HG2 ARG 34 - H LYS 27 lone 7 99 - 7 - 1603/3.0=2, 1656=1 QB ALA 38 - H LYS 27 lone 5 97 - 5 - 1603/3.0=2 HG2 LYS 58 - H LYS 27 lone 2 68 - 4 - HG3 LYS 42 - H LYS 27 lone 2 81 - 3 - HG2 LYS 42 - H LYS 27 lone 2 81 - 3 - Peak 596 from nnoeabs.peaks (7.50, 7.50, 113.08 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * H TYR 28 + H TYR 28 OK 100 100 - 100 HD21 ASN 54 - HD21 ASN 54 OK 45 45 - 100 Peak 597 from nnoeabs.peaks (4.72, 7.50, 113.08 ppm; 4.48 A): 1 out of 1 assignment used, quality = 1.00: * HA TYR 28 + H TYR 28 OK 100 100 - 100 - 3.0=100 Peak 598 from nnoeabs.peaks (2.95, 7.50, 113.08 ppm; 4.50 A): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 28 + H TYR 28 OK 100 100 - 100 - 3.9=100 Peak 601 from nnoeabs.peaks (7.13, 7.50, 113.08 ppm; 4.26 A): 1 out of 8 assignments used, quality = 0.94: * QD TYR 28 + H TYR 28 OK 94 100 - 94 - 4.5=83, 1691/3.0=34...(5) QD TYR 57 - H TYR 28 OK 12 85 - 14 - 4206/4.1=4, 4199/4.6=4...(4) HD1 TRP 51 - H TYR 28 OK 10 92 - 11 - 4199/4.6=3, 4206/4.1=3...(4) QD TYR 57 - HD21 ASN 54 poor 9 41 - 23 - 4714/3.4=12, 4667/4.5=11 HD1 TRP 51 - HD21 ASN 54 poor 5 46 - 10 - 4.5/4664=4, ~4617=3...(4) HD2 HIS 13 - H TYR 28 lone 4 100 - 4 - QD TYR 28 - HD21 ASN 54 lone 2 55 - 3 - HD2 HIS 13 - HD21 ASN 54 lone 1 54 - 2 - Peak 602 from nnoeabs.peaks (8.50, 8.50, 122.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 29 + H LEU 29 OK 100 100 - 100 Peak 603 from nnoeabs.peaks (4.58, 8.50, 122.84 ppm; 3.98 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 29 + H LEU 29 OK 100 100 - 100 - 2.9=100 Peak 604 from nnoeabs.peaks (1.24, 8.50, 122.84 ppm; 4.19 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 29 + H LEU 29 OK 100 100 - 100 - 4.0=100 Peak 605 from nnoeabs.peaks (1.46, 8.50, 122.84 ppm; 3.56 A): 1 out of 7 assignments used, quality = 0.89: * HB3 LEU 29 + H LEU 29 OK 89 100 - 89 - 4.0=69, 3.0/606=22...(8) HG3 ARG 56 - H LEU 29 lone 5 99 - 5 - 4676/4.5=3 HG3 LYS 58 - H LEU 29 lone 2 99 - 2 - 4667/4.5=1 HG LEU 43 - H LEU 29 lone 1 97 - 1 - QB ALA 35 - H LEU 29 lone 1 71 - 2 - 118/4.5=1 HG3 LYS 62 - H LEU 29 lone 1 63 - 1 - HG2 LYS 62 - H LEU 29 lone 1 63 - 1 - Peak 606 from nnoeabs.peaks (0.74, 8.50, 122.84 ppm; 4.14 A): 1 out of 3 assignments used, quality = 0.89: * HG LEU 29 + H LEU 29 OK 89 100 - 89 - 5.2=51, 2.1/608=32...(6) QD2 LEU 41 - H LEU 29 lone 2 99 - 2 - QD1 LEU 41 - H LEU 29 lone 1 78 - 1 - Peak 607 from nnoeabs.peaks (0.15, 8.50, 122.84 ppm; 4.65 A): 1 out of 1 assignment used, quality = 0.99: * QD1 LEU 29 + H LEU 29 OK 99 100 - 99 - 4.8=92, 2.1/606=41...(8) Peak 608 from nnoeabs.peaks (0.46, 8.50, 122.84 ppm; 4.46 A): 1 out of 1 assignment used, quality = 0.98: * QD2 LEU 29 + H LEU 29 OK 98 100 - 98 - 4.8=81, 1722/2.9=42...(11) Peak 609 from nnoeabs.peaks (8.98, 8.98, 118.86 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H SER 30 + H SER 30 OK 100 100 - 100 Peak 610 from nnoeabs.peaks (4.55, 8.98, 118.86 ppm; 3.20 A): 1 out of 1 assignment used, quality = 1.00: * HA SER 30 + H SER 30 OK 100 100 - 100 - 3.0=100 Peak 611 from nnoeabs.peaks (4.01, 8.98, 118.86 ppm; 3.80 A): 1 out of 4 assignments used, quality = 0.91: * HB2 SER 30 + H SER 30 OK 91 100 - 91 - 4.0=87, 3.0/116=16...(4) HA ALA 35 - H SER 30 lone 3 60 - 5 - 124/4.6=2, 2.1/118=2 HA TRP 51 - H SER 30 lone 1 99 - 1 - HA LYS 42 - H SER 30 lone 1 57 - 2 - 3.0/4260=1 Peak 612 from nnoeabs.peaks (4.22, 8.98, 118.86 ppm; 4.31 A): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 30 + H SER 30 OK 100 100 - 100 - 4.0=100 Peak 613 from nnoeabs.peaks (9.18, 9.18, 123.12 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 31 + H ALA 31 OK 100 100 - 100 Peak 614 from nnoeabs.peaks (4.21, 9.18, 123.12 ppm; 3.76 A): 1 out of 1 assignment used, quality = 1.00: * HA ALA 31 + H ALA 31 OK 100 100 - 100 - 3.0=100 Peak 615 from nnoeabs.peaks (1.56, 9.18, 123.12 ppm; 3.40 A): 1 out of 1 assignment used, quality = 1.00: * QB ALA 31 + H ALA 31 OK 100 100 - 100 - 2.9=100 Peak 616 from nnoeabs.peaks (7.21, 7.21, 117.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 33 + H GLU 33 OK 100 100 - 100 Peak 617 from nnoeabs.peaks (4.07, 7.21, 117.78 ppm; 3.98 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 33 + H GLU 33 OK 100 100 - 100 - 3.0=100 Peak 618 from nnoeabs.peaks (1.88, 7.21, 117.78 ppm; 3.89 A): 1 out of 6 assignments used, quality = 0.99: * HB2 GLU 33 + H GLU 33 OK 99 100 - 99 - 4.0=93, 3.0/1843=28...(12) HB3 ARG 34 - H GLU 33 OK 37 73 - 51 - 3.9/133=27, 4.3/979=18...(8) HB3 LYS 49 - H GLU 33 lone 8 100 - 8 - 135/4.7=2, 3781/3447=2 HG2 ARG 21 - H GLU 33 lone 6 73 - 8 - 3.0/129=1, 3.0/129=1, 1373/3.0=1 HG LEU 41 - H GLU 33 lone 4 90 - 5 - 1827/3.0=1 HB2 LYS 42 - H GLU 33 lone 4 99 - 4 - 1827/3.0=1 Peak 619 from nnoeabs.peaks (2.32, 7.21, 117.78 ppm; 3.18 A): 3 out of 6 assignments used, quality = 0.99: HB3 PRO 32 + H GLU 33 OK 83 98 - 84 - 3.6=67, 3.0/3447=16...(8) * HB3 GLU 33 + H GLU 33 OK 82 100 - 82 - 4.0=50, 3.0/1843=18...(11) HG2 GLU 33 + H GLU 33 OK 71 99 - 71 - 5.0=26, 1.8/1849=22...(10) HG3 GLN 26 - H GLU 33 lone 1 63 - 2 - HG2 GLN 15 - H GLU 33 lone 1 85 - 1 - HG2 GLN 26 - H GLU 33 lone 1 60 - 2 - Peak 620 from nnoeabs.peaks (2.32, 7.21, 117.78 ppm; 3.18 A): 3 out of 4 assignments used, quality = 0.99: HB3 GLU 33 + H GLU 33 OK 82 99 - 83 - 4.0=50, 3.0/1843=18...(11) HB3 PRO 32 + H GLU 33 OK 77 92 - 84 - 3.6=67, 3.0/3447=16...(8) * HG2 GLU 33 + H GLU 33 OK 71 100 - 71 - 5.0=26, 1.8/1849=22...(10) HG2 GLN 15 - H GLU 33 lone 1 71 - 1 - Peak 621 from nnoeabs.peaks (2.23, 7.21, 117.78 ppm; 4.01 A): 1 out of 3 assignments used, quality = 0.92: * HG3 GLU 33 + H GLU 33 OK 92 100 - 92 - 5.0=52, 1.8/1843=38...(10) HG3 GLU 67 - H GLU 33 lone 9 96 - 9 - 2.8/130=3, 2.8/129=2...(4) HB3 GLN 53 - H GLU 33 lone 5 92 - 5 - 138/4.7=2, 1830/3.0=1 Peak 622 from nnoeabs.peaks (8.73, 8.73, 121.67 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ARG 34 + H ARG 34 OK 100 100 - 100 Peak 623 from nnoeabs.peaks (3.79, 8.73, 121.67 ppm; 3.47 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 34 + H ARG 34 OK 100 100 - 100 - 2.9=100 Peak 624 from nnoeabs.peaks (1.94, 8.73, 121.67 ppm; 3.17 A): 1 out of 7 assignments used, quality = 0.81: * HB2 ARG 34 + H ARG 34 OK 81 100 - 81 - 3.9=54, 1.8/1871=26...(12) HD3 LYS 22 - H ARG 34 lone 6 78 - 7 - 4159/4315=3, ~3740=1 HB2 ARG 21 - H ARG 34 lone 3 63 - 5 - 141/4.6=1, 3721/3720=1 HB3 LYS 39 - H ARG 34 lone 3 93 - 3 - 141/4.6=1 HB2 LYS 39 - H ARG 34 lone 3 90 - 3 - 141/4.6=1 HB3 GLU 67 - H ARG 34 lone 3 81 - 3 - HB ILE 50 - H ARG 34 lone 2 100 - 2 - Peak 625 from nnoeabs.peaks (1.86, 8.73, 121.67 ppm; 3.28 A): 2 out of 8 assignments used, quality = 0.93: * HB3 ARG 34 + H ARG 34 OK 85 100 - 85 - 3.9=60, 1.8/1863=31...(13) HB2 GLU 33 + H ARG 34 OK 55 73 - 75 - 4.6=35, 4.0/133=18...(14) HB3 LYS 49 - H ARG 34 poor 9 78 - 11 - 4592/6.2=3, 4593/6.2=3 HG2 ARG 21 - H ARG 34 lone 8 100 - 8 - 142/4.6=1, 3723/3720=1 HG LEU 41 - H ARG 34 lone 8 99 - 8 - ~4454=2, ~4446=2 HB ILE 17 - H ARG 34 lone 6 81 - 7 - 4.0/977=2, 3668/2.9=1, ~4075=1 HB2 LYS 60 - H ARG 34 lone 1 73 - 2 - HB3 MET 11 - H ARG 34 lone 1 73 - 1 - Peak 626 from nnoeabs.peaks (1.34, 8.73, 121.67 ppm; 4.46 A): 2 out of 6 assignments used, quality = 0.98: * HG2 ARG 34 + H ARG 34 OK 96 100 - 96 - 4.9=74, 3.0/1863=39...(12) QB ALA 38 + H ARG 34 OK 48 100 - 48 - 4412/2.9=16, ~3744=13...(9) HG3 LYS 42 - H ARG 34 lone 9 95 - 9 - 143/4.6=3, 2.9/135=2, ~3742=1 HG2 LYS 42 - H ARG 34 lone 9 95 - 9 - 143/4.6=3, 2.9/135=2, ~3742=1 HD3 LYS 27 - H ARG 34 lone 8 99 - 8 - 1.8/4314=2, ~4317=2 HG2 LYS 58 - H ARG 34 lone 3 87 - 3 - Peak 627 from nnoeabs.peaks (1.59, 8.73, 121.67 ppm; 3.89 A): 3 out of 10 assignments used, quality = 0.95: * HG3 ARG 34 + H ARG 34 OK 90 100 - 90 - 4.9=49, 3.0/1863=32...(13) QB ALA 31 + H ARG 34 OK 35 63 - 57 - 2.1/3720=28, 4.5/3726=13...(8) HG LEU 37 + H ARG 34 OK 32 68 - 48 - ~3742=9, ~3740=9...(12) HB3 LEU 43 - H ARG 34 OK 28 89 - 32 - ~4317=12, 1.8/4314=8...(6) HG2 LYS 49 - H ARG 34 lone 9 92 - 9 - 3.0/135=3, 4221/4245=1...(4) HG3 ARG 21 - H ARG 34 lone 7 87 - 8 - 1.8/625=2, 144/4.6=2, 3.0/624=1 HG3 ARG 61 - H ARG 34 lone 4 98 - 4 - HG2 ARG 61 - H ARG 34 lone 4 97 - 4 - HB3 LYS 27 - H ARG 34 lone 3 68 - 5 - 3.8/4314=1, 3.8/626=1 HG LEU 68 - H ARG 34 lone 2 60 - 3 - 4.9/884=1 Peak 630 from nnoeabs.peaks (8.15, 8.15, 120.97 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 35 + H ALA 35 OK 100 100 - 100 Peak 631 from nnoeabs.peaks (3.98, 8.15, 120.97 ppm; 3.22 A): 1 out of 1 assignment used, quality = 1.00: * HA ALA 35 + H ALA 35 OK 100 100 - 100 - 3.0=100 Peak 632 from nnoeabs.peaks (1.49, 8.15, 120.97 ppm; 2.63 A): 1 out of 3 assignments used, quality = 0.80: * QB ALA 35 + H ALA 35 OK 80 100 - 80 - 2.9=73, 3.7/147=9...(6) HB3 LEU 29 - H ALA 35 poor 9 71 - 13 - 4246/4.6=4, 4323/4.3=3...(4) HG LEU 43 - H ALA 35 lone 4 92 - 4 - 4323/4.3=1, 4318/3.6=1 Peak 633 from nnoeabs.peaks (7.99, 7.99, 118.30 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * H HIS 36 + H HIS 36 OK 100 100 - 100 H ILE 17 - H ILE 17 OK 40 40 - 100 Peak 634 from nnoeabs.peaks (4.32, 7.99, 118.30 ppm; 3.29 A): 1 out of 1 assignment used, quality = 1.00: * HA HIS 36 + H HIS 36 OK 100 100 - 100 - 3.0=100 Peak 635 from nnoeabs.peaks (3.19, 7.99, 118.30 ppm; 2.70 A): 2 out of 12 assignments used, quality = 0.73: * HB2 HIS 36 + H HIS 36 OK 48 100 - 49 - 4.0=31, 1.8/1922=11...(6) HB3 HIS 36 + H HIS 36 OK 48 100 - 49 - 4.0=31, 1.8/1922=11...(6) HD2 ARG 21 - H ILE 17 lone 3 49 - 7 - 4136/4.0=4 HD2 ARG 21 - H HIS 36 lone 3 95 - 3 - HB2 HIS 36 - H ILE 17 lone 2 57 - 3 - HB3 HIS 36 - H ILE 17 lone 2 57 - 3 - HB2 HIS 10 - H HIS 36 lone 1 93 - 1 - HB2 HIS 13 - H ILE 17 lone 1 33 - 4 - 3.0/3664=3 HB3 TYR 57 - H HIS 36 lone 1 81 - 1 - HB3 TYR 57 - H ILE 17 lone 1 39 - 2 - HB2 HIS 13 - H HIS 36 lone 1 71 - 1 - HB2 HIS 10 - H ILE 17 lone 0 48 - 0 - Peak 636 from nnoeabs.peaks (3.19, 7.99, 118.30 ppm; 2.70 A): 2 out of 12 assignments used, quality = 0.73: HB2 HIS 36 + H HIS 36 OK 48 100 - 49 - 4.0=31, 1.8/1922=11...(6) * HB3 HIS 36 + H HIS 36 OK 48 100 - 49 - 4.0=31, 1.8/1922=11...(6) HD2 ARG 21 - H ILE 17 lone 3 50 - 7 - 4136/4.0=5 HD2 ARG 21 - H HIS 36 lone 3 96 - 3 - HB2 HIS 36 - H ILE 17 lone 2 57 - 3 - HB3 HIS 36 - H ILE 17 lone 2 57 - 3 - HB2 HIS 13 - H ILE 17 lone 1 35 - 4 - 3.0/3664=3 HB2 HIS 10 - H HIS 36 lone 1 95 - 1 - HB3 TYR 57 - H HIS 36 lone 1 78 - 1 - HB2 HIS 13 - H HIS 36 lone 1 73 - 1 - HB3 TYR 57 - H ILE 17 lone 1 38 - 2 - HB2 HIS 10 - H ILE 17 lone 0 49 - 0 - Peak 638 from nnoeabs.peaks (8.07, 8.07, 120.69 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 37 + H LEU 37 OK 100 100 - 100 Peak 639 from nnoeabs.peaks (4.06, 8.07, 120.69 ppm; 3.25 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 37 + H LEU 37 OK 100 100 - 100 - 3.0=100 Peak 640 from nnoeabs.peaks (1.66, 8.07, 120.69 ppm; 3.02 A): 2 out of 11 assignments used, quality = 0.82: * HB2 LEU 37 + H LEU 37 OK 79 100 - 79 - 4.0=42, 1.8/641=24...(13) HD3 LYS 42 + H LEU 37 OK 12 100 - 12 - 1.8/641=4, 4.8/988=2...(6) HG3 LYS 22 - H LEU 37 lone 9 93 - 9 - 1967/4.5=4, 1.8/641=2, 157/4.6=1 HB2 LEU 64 - H LEU 37 lone 6 100 - 6 - 1944=2, 3.1/643=1 HG13 ILE 50 - H LEU 37 lone 5 63 - 8 - 3.2/643=3, 4.0/990=2 HG LEU 64 - H LEU 37 lone 3 71 - 5 - 2.1/643=2 HD2 LYS 62 - H LEU 37 lone 2 99 - 2 - HD3 LYS 62 - H LEU 37 lone 2 100 - 1 - HD2 LYS 60 - H LEU 37 lone 1 99 - 1 - HD3 LYS 60 - H LEU 37 lone 1 99 - 1 - HB2 LEU 68 - H LEU 37 lone 1 63 - 2 - Peak 641 from nnoeabs.peaks (1.73, 8.07, 120.69 ppm; 3.03 A): 2 out of 7 assignments used, quality = 0.82: * HB3 LEU 37 + H LEU 37 OK 79 100 - 79 - 4.0=43, 1.8/640=22...(13) HD2 LYS 42 + H LEU 37 OK 12 96 - 13 - 1.8/640=3, 4.8/988=2...(6) HG2 LYS 22 - H LEU 37 lone 7 87 - 9 - 4152/4.5=3, 1.8/640=2, 158/4.6=1 HB3 LYS 58 - H LEU 37 lone 6 100 - 6 - 4.0/992=2 HB2 ARG 56 - H LEU 37 lone 2 97 - 3 - HD2 LYS 49 - H LEU 37 lone 2 60 - 3 - HB3 ARG 61 - H LEU 37 lone 2 100 - 2 - Peak 642 from nnoeabs.peaks (1.56, 8.07, 120.69 ppm; 3.93 A): 2 out of 8 assignments used, quality = 0.96: * HG LEU 37 + H LEU 37 OK 94 100 - 94 - 5.0=48, 2.1/644=27...(12) HG3 LYS 39 + H LEU 37 OK 38 92 - 41 - 4368/3.6=14, 4.9/999=8...(7) HG3 ARG 34 - H LEU 37 OK 20 68 - 30 - 4.0/3739=13, 1.8/4389=7...(7) QB ALA 31 - H LEU 37 OK 13 100 - 13 - 4284/989=4, 3.8/990=4 HD2 LYS 58 - H LEU 37 OK 10 83 - 12 - 3.5/641=2, 4368/3.6=2...(6) HD3 LYS 58 - H LEU 37 OK 10 83 - 12 - 3.5/641=2, 4368/3.6=2...(6) HG2 LYS 49 - H LEU 37 lone 8 97 - 9 - 4.9/1021=2, 4368/3.6=1 HB3 LYS 27 - H LEU 37 lone 5 100 - 5 - Peak 643 from nnoeabs.peaks (0.92, 8.07, 120.69 ppm; 3.90 A): 1 out of 3 assignments used, quality = 0.95: * QD2 LEU 37 + H LEU 37 OK 95 100 - 95 - 4.5=66, 1942/3.0=27...(13) QG2 ILE 50 - H LEU 37 OK 20 100 - 20 - 1942/3.0=5, 3.2/990=4...(5) QD1 LEU 64 - H LEU 37 lone 10 96 - 10 - 3.1/640=2, 1942/3.0=2...(4) Peak 644 from nnoeabs.peaks (0.96, 8.07, 120.69 ppm; 3.87 A): 1 out of 2 assignments used, quality = 0.95: * QD1 LEU 37 + H LEU 37 OK 95 100 - 95 - 4.5=64, 1943/3.0=30...(20) QG2 VAL 48 - H LEU 37 OK 31 97 - 32 - 1943/3.0=7, 161/4.6=7...(15) Peak 645 from nnoeabs.peaks (8.44, 8.44, 119.33 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 38 + H ALA 38 OK 100 100 - 100 Peak 646 from nnoeabs.peaks (3.61, 8.44, 119.33 ppm; 3.38 A): 1 out of 1 assignment used, quality = 1.00: * HA ALA 38 + H ALA 38 OK 100 100 - 100 - 2.9=100 Peak 647 from nnoeabs.peaks (1.34, 8.44, 119.33 ppm; 2.78 A): 4 out of 6 assignments used, quality = 0.94: * QB ALA 38 + H ALA 38 OK 90 100 - 90 - 2.9=86, 3.6/162=14...(10) HG2 ARG 34 + H ALA 38 OK 17 100 - 17 - 4.0/3744=7, 3.0/4399=2...(7) HG3 LYS 42 + H ALA 38 OK 15 97 - 15 - 3.9/995=3, 3.0/158=2...(5) HG2 LYS 42 + H ALA 38 OK 15 97 - 15 - 3.9/995=3, 3.0/158=2...(5) HG2 LYS 58 - H ALA 38 lone 8 92 - 8 - 2.8/158=2, 164/4.5=1 HD3 LYS 27 - H ALA 38 lone 2 97 - 2 - Peak 648 from nnoeabs.peaks (7.67, 7.67, 116.42 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 39 + H LYS 39 OK 100 100 - 100 Peak 649 from nnoeabs.peaks (4.08, 7.67, 116.42 ppm; 3.07 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 39 + H LYS 39 OK 100 100 - 100 - 3.0=100 Peak 650 from nnoeabs.peaks (1.92, 7.67, 116.42 ppm; 2.63 A): 2 out of 4 assignments used, quality = 0.86: * HB2 LYS 39 + H LYS 39 OK 63 100 - 63 - 3.9=30, 1.8/1995=10...(15) HB3 LYS 39 + H LYS 39 OK 63 100 - 63 - 3.9=30, 1.8/1995=10...(15) HB2 ARG 34 - H LYS 39 lone 4 90 - 5 - 4399/4.5=1, 3.0/164=1 HB ILE 50 - H LYS 39 lone 3 93 - 3 - Peak 651 from nnoeabs.peaks (1.92, 7.67, 116.42 ppm; 2.63 A): 2 out of 4 assignments used, quality = 0.86: * HB3 LYS 39 + H LYS 39 OK 63 100 - 63 - 3.9=30, 1.8/1995=10...(15) HB2 LYS 39 + H LYS 39 OK 63 100 - 63 - 3.9=30, 1.8/1995=10...(15) HB2 ARG 34 - H LYS 39 lone 4 93 - 5 - 4399/4.5=1, 3.0/164=1 HB ILE 50 - H LYS 39 lone 3 96 - 3 - Peak 652 from nnoeabs.peaks (1.43, 7.67, 116.42 ppm; 4.11 A): 2 out of 9 assignments used, quality = 0.97: * HG2 LYS 39 + H LYS 39 OK 94 100 - 94 - 4.9=58, 1.8/2025=23...(19) HB3 LEU 41 + H LYS 39 OK 46 100 - 47 - 4461/3.6=13, 3768/3.6=10...(9) HG3 LYS 58 - H LYS 39 OK 21 73 - 29 - 1.8/164=5, 2863=5...(11) HG2 LYS 62 - H LYS 39 OK 11 100 - 11 - 2015=2, 1.8/2015=2, 1989/3.0=1 HG3 LYS 62 - H LYS 39 OK 11 100 - 11 - 2015=2, 1.8/2015=2, 1989/3.0=1 HB2 LYS 27 - H LYS 39 OK 11 96 - 11 - 5.2/4417=2, 1.8/653=2...(5) HG3 LYS 60 - H LYS 39 OK 10 100 - 10 - 2015=2, 1.8/2015=2, 1989/3.0=1 HG2 LYS 60 - H LYS 39 OK 10 100 - 10 - 2015=2, 1.8/2015=2, 1989/3.0=1 HG3 ARG 56 - H LYS 39 lone 8 76 - 10 - 3.8/3843=3, 4.6/1059=2 Peak 653 from nnoeabs.peaks (1.54, 7.67, 116.42 ppm; 3.82 A): 3 out of 7 assignments used, quality = 0.95: * HG3 LYS 39 + H LYS 39 OK 88 100 - 88 - 4.9=47, 2.9/650=19...(17) HG LEU 37 + H LYS 39 OK 39 92 - 43 - 2.1/4416=14, 3475/4.5=11...(8) HD2 LYS 58 + H LYS 39 OK 28 100 - 28 - 3.0/2863=5, 3.0/164=4...(11) HD3 LYS 58 - H LYS 39 OK 28 100 - 28 - 3.0/2863=5, 3.0/164=4...(11) HG2 LYS 49 - H LYS 39 poor 10 68 - 14 - 3.9/1000=3, 4.9/227=3...(4) HB3 LYS 27 - H LYS 39 lone 9 92 - 9 - 5.2/4417=2, 1.8/652=2, 3.8/164=1 QB ALA 31 - H LYS 39 lone 3 95 - 3 - Peak 654 from nnoeabs.peaks (1.69, 7.67, 116.42 ppm; 4.18 A): 2 out of 13 assignments used, quality = 0.98: * HD2 LYS 39 + H LYS 39 OK 86 100 - 86 - 6.2=31, 3.0/2025=19...(18) HD3 LYS 39 + H LYS 39 OK 86 100 - 86 - 6.2=31, 3.0/2025=19...(18) HD3 LYS 49 - H LYS 39 OK 14 99 - 14 - 5.3/1000=3, 6.2/227=2...(4) HD2 LYS 49 - H LYS 39 OK 14 98 - 14 - 5.3/1000=3, 6.2/227=2...(4) HD2 LYS 42 - H LYS 39 OK 13 68 - 19 - 4.8/1001=6, 3.0/164=3...(6) HG3 LYS 22 - H LYS 39 lone 9 90 - 10 - 5.1/889=2, 1444/4.7=2 HB2 ARG 56 - H LYS 39 poor 8 65 - 12 - 3.0/3843=4, 3.9/1059=3...(4) HG2 LYS 22 - H LYS 39 lone 8 83 - 10 - 5.1/889=2, 1434/4.7=1 HG13 ILE 50 - H LYS 39 lone 7 100 - 7 - HD2 LYS 60 - H LYS 39 lone 7 78 - 8 - 2.9/652=1, 2.9/652=1 HD2 LYS 62 - H LYS 39 lone 6 73 - 8 - 3.0/652=2, 3.0/652=2 HD3 LYS 60 - H LYS 39 lone 6 73 - 8 - 2.9/652=1, 2.9/652=1 HD3 LYS 62 - H LYS 39 lone 6 71 - 8 - 3.0/652=2, 3.0/652=2 Peak 655 from nnoeabs.peaks (1.69, 7.67, 116.42 ppm; 4.18 A): 2 out of 13 assignments used, quality = 0.98: HD2 LYS 39 + H LYS 39 OK 86 100 - 86 - 6.2=31, 3.0/2025=19...(18) * HD3 LYS 39 + H LYS 39 OK 86 100 - 86 - 6.2=31, 3.0/2025=19...(18) HD3 LYS 49 - H LYS 39 OK 14 99 - 14 - 5.3/1000=3, 6.2/227=2...(4) HD2 LYS 49 - H LYS 39 OK 14 98 - 14 - 5.3/1000=3, 6.2/227=2...(4) HD2 LYS 42 - H LYS 39 OK 13 68 - 19 - 4.8/1001=6, 3.0/164=3...(6) HG3 LYS 22 - H LYS 39 lone 9 90 - 10 - 5.1/889=2, 1444/4.7=2 HB2 ARG 56 - H LYS 39 poor 8 65 - 12 - 3.0/3843=4, 3.9/1059=3...(4) HG2 LYS 22 - H LYS 39 lone 8 83 - 10 - 5.1/889=2, 1434/4.7=1 HG13 ILE 50 - H LYS 39 lone 7 100 - 7 - HD2 LYS 60 - H LYS 39 lone 7 78 - 8 - 2.9/652=1, 2.9/652=1 HD2 LYS 62 - H LYS 39 lone 6 73 - 8 - 3.0/652=2, 3.0/652=2 HD3 LYS 60 - H LYS 39 lone 6 73 - 8 - 2.9/652=1, 2.9/652=1 HD3 LYS 62 - H LYS 39 lone 6 71 - 8 - 3.0/652=2, 3.0/652=2 Peak 658 from nnoeabs.peaks (8.02, 8.02, 117.69 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASN 40 + H ASN 40 OK 100 100 - 100 Peak 659 from nnoeabs.peaks (4.37, 8.02, 117.69 ppm; 3.32 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 40 + H ASN 40 OK 100 100 - 100 - 3.0=100 Peak 660 from nnoeabs.peaks (2.76, 8.02, 117.69 ppm; 2.93 A): 1 out of 2 assignments used, quality = 0.75: * HB2 ASN 40 + H ASN 40 OK 75 100 - 75 - 3.9=43, 1.8/661=27...(10) HE3 LYS 27 - H ASN 40 lone 4 100 - 3 - Peak 661 from nnoeabs.peaks (2.70, 8.02, 117.69 ppm; 3.28 A): 1 out of 3 assignments used, quality = 0.86: * HB3 ASN 40 + H ASN 40 OK 86 100 - 86 - 3.9=60, 1.8/660=38...(10) HD2 ARG 56 - H ASN 40 lone 3 96 - 3 - HB3 TYR 28 - H ASN 40 lone 1 89 - 1 - Peak 662 from nnoeabs.peaks (7.29, 8.02, 117.69 ppm; 4.63 A): 1 out of 2 assignments used, quality = 0.94: * HD21 ASN 40 + H ASN 40 OK 94 100 - 94 - 5.2=69, 3.5/660=40...(8) HD2 HIS 25 - H ASN 40 lone 3 90 - 3 - 4659/3.0=1 Peak 663 from nnoeabs.peaks (6.52, 8.02, 117.69 ppm; 4.86 A): 1 out of 1 assignment used, quality = 0.96: * HD22 ASN 40 + H ASN 40 OK 96 100 - 96 - 5.2=80, 3.5/660=42...(6) Peak 664 from nnoeabs.peaks (8.06, 8.06, 116.05 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 41 + H LEU 41 OK 100 100 - 100 Peak 665 from nnoeabs.peaks (4.34, 8.06, 116.05 ppm; 3.65 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 41 + H LEU 41 OK 100 100 - 100 - 3.0=100 Peak 666 from nnoeabs.peaks (1.62, 8.06, 116.05 ppm; 3.35 A): 3 out of 11 assignments used, quality = 0.90: * HB2 LEU 41 + H LEU 41 OK 86 100 - 86 - 4.0=58, 3.1/669=18...(11) HB3 LEU 43 + H LEU 41 OK 19 93 - 21 - 4.0/4434=11, 4.6/4500=2...(6) HG3 ARG 21 + H LEU 41 OK 11 95 - 12 - 1.8/668=4, 3.9/1007=2 HB3 GLN 15 - H LEU 41 lone 6 90 - 7 - 4027/4.8=4, 4027/4.8=2 HB3 LEU 64 - H LEU 41 lone 4 100 - 4 - 2100=1 HB3 LEU 68 - H LEU 41 lone 4 93 - 4 - HG LEU 68 - H LEU 41 lone 4 100 - 4 - 183/4.6=1 HB2 LEU 68 - H LEU 41 lone 3 85 - 3 - HG LEU 64 - H LEU 41 lone 2 78 - 2 - HG2 ARG 61 - H LEU 41 lone 1 81 - 2 - HG3 ARG 61 - H LEU 41 lone 1 78 - 2 - Peak 667 from nnoeabs.peaks (1.43, 8.06, 116.05 ppm; 3.83 A): 1 out of 10 assignments used, quality = 0.98: * HB3 LEU 41 + H LEU 41 OK 98 100 - 98 - 4.0=87, 1.8/666=26...(15) HG2 LYS 39 - H LEU 41 OK 36 100 - 37 - 5.0/175=14, 4423/3.6=8...(7) HB2 LYS 27 - H LEU 41 lone 6 98 - 6 - 4198/4.2=2, 4423/3.6=1 HG3 ARG 56 - H LEU 41 lone 5 68 - 7 - 3.0/178=2, 3.8/1007=1, 4.6/279=1 HG2 LYS 62 - H LEU 41 lone 4 99 - 4 - HG3 LYS 62 - H LEU 41 lone 4 99 - 4 - HG3 LYS 58 - H LEU 41 lone 4 65 - 6 - 169/4.6=1 HG3 LYS 60 - H LEU 41 lone 3 100 - 3 - HG2 LYS 60 - H LEU 41 lone 3 100 - 3 - HG3 LYS 49 - H LEU 41 lone 3 60 - 5 - 4.9/1021=2, 3.0/668=1 Peak 668 from nnoeabs.peaks (1.87, 8.06, 116.05 ppm; 3.45 A): 3 out of 7 assignments used, quality = 0.91: * HG LEU 41 + H LEU 41 OK 85 100 - 85 - 5.2=29, 2.1/669=24...(13) HB2 LYS 42 + H LEU 41 OK 29 76 - 38 - 4.0/891=19, 3.0/4441=10...(5) HG2 ARG 21 + H LEU 41 OK 16 99 - 16 - 1.8/666=3, 3.9/1007=2...(7) HB3 ARG 34 - H LEU 41 poor 10 99 - 10 - 3.0/3739=3, 4425/4.2=2...(4) HB2 GLU 33 - H LEU 41 lone 7 90 - 8 - 3.0/3737=2, 4428/4.2=1 HB3 LYS 49 - H LEU 41 lone 6 93 - 6 - 4.0/1021=2 HB ILE 17 - H LEU 41 lone 3 60 - 5 - 4.0/175=2, 3.2/670=1 Peak 669 from nnoeabs.peaks (0.75, 8.06, 116.05 ppm; 3.80 A): 2 out of 2 assignments used, quality = 0.94: * QD2 LEU 41 + H LEU 41 OK 93 100 - 93 - 4.8=51, 2098/3.0=34...(15) HG LEU 29 + H LEU 41 OK 18 99 - 18 - 2098/3.0=4, 186/4.6=3...(7) Peak 670 from nnoeabs.peaks (0.72, 8.06, 116.05 ppm; 3.74 A): 3 out of 4 assignments used, quality = 0.94: * QD1 LEU 41 + H LEU 41 OK 93 100 - 93 - 4.8=48, 2099/3.0=30...(18) HB2 LEU 19 + H LEU 41 OK 14 97 - 15 - 2099/3.0=3, 3.0/1009=3...(4) HG LEU 29 + H LEU 41 OK 12 78 - 14 - 2098/3.0=2, 4424/3.6=2...(6) QD1 ILE 17 - H LEU 41 lone 5 85 - 6 - 5.0/175=1 Peak 671 from nnoeabs.peaks (7.90, 7.90, 117.73 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 42 + H LYS 42 OK 100 100 - 100 Peak 672 from nnoeabs.peaks (3.98, 7.90, 117.73 ppm; 2.78 A): 1 out of 6 assignments used, quality = 0.90: * HA LYS 42 + H LYS 42 OK 90 100 - 90 - 3.0=83, 3.6/188=14...(10) HA ALA 35 - H LYS 42 poor 10 100 - 10 - 4441/4.6=2, 3747/4.9=1...(5) HA GLN 47 - H LYS 42 lone 5 78 - 6 - 3.0/181=2 HB3 SER 24 - H LYS 42 lone 3 98 - 3 - HB2 SER 24 - H LYS 42 lone 3 97 - 3 - HB2 SER 30 - H LYS 42 lone 0 57 - 1 - Peak 673 from nnoeabs.peaks (1.89, 7.90, 117.73 ppm; 3.94 A): 2 out of 4 assignments used, quality = 1.00: * HB2 LYS 42 + H LYS 42 OK 100 100 - 100 - 4.0=98, 3.0/672=32...(15) HG LEU 41 + H LYS 42 OK 48 76 - 64 - 2.1/186=23, 2.1/187=21...(6) HB2 GLU 33 - H LYS 42 OK 11 99 - 11 - 3.0/4893=6, 190/4.4=2 HB3 LYS 49 - H LYS 42 lone 6 98 - 6 - Peak 674 from nnoeabs.peaks (2.15, 7.90, 117.73 ppm; 4.26 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 42 + H LYS 42 OK 100 100 - 100 - 4.0=100 Peak 675 from nnoeabs.peaks (1.35, 7.90, 117.73 ppm; 3.40 A): 3 out of 7 assignments used, quality = 0.98: * HG2 LYS 42 + H LYS 42 OK 79 100 - 79 - 4.9=34, 3.9/672=19...(17) HG3 LYS 42 + H LYS 42 OK 79 100 - 79 - 4.9=34, 3.9/672=19...(17) QB ALA 38 + H LYS 42 OK 44 97 - 46 - 4394/4.4=10, 3748/3.0=9...(10) HG2 LYS 58 - H LYS 42 lone 5 100 - 5 - 2175=1 HG2 ARG 34 - H LYS 42 lone 5 95 - 5 - 4461/4.6=1 HD3 LYS 27 - H LYS 42 lone 2 81 - 3 - HG13 ILE 17 - H LYS 42 lone 2 81 - 2 - Peak 676 from nnoeabs.peaks (1.35, 7.90, 117.73 ppm; 3.40 A): 3 out of 7 assignments used, quality = 0.98: HG2 LYS 42 + H LYS 42 OK 79 100 - 79 - 4.9=34, 3.9/672=19...(17) * HG3 LYS 42 + H LYS 42 OK 79 100 - 79 - 4.9=34, 3.9/672=19...(17) QB ALA 38 + H LYS 42 OK 44 97 - 46 - 4394/4.4=10, 3748/3.0=9...(10) HG2 LYS 58 - H LYS 42 lone 5 100 - 5 - 2175=1 HG2 ARG 34 - H LYS 42 lone 5 95 - 5 - 4461/4.6=1 HD3 LYS 27 - H LYS 42 lone 2 81 - 3 - HG13 ILE 17 - H LYS 42 lone 2 81 - 2 - Peak 677 from nnoeabs.peaks (1.72, 7.90, 117.73 ppm; 4.58 A): 2 out of 11 assignments used, quality = 0.94: * HD2 LYS 42 + H LYS 42 OK 92 100 - 92 - 6.1=43, 4.8/672=26...(15) HB3 LEU 37 + H LYS 42 OK 33 96 - 34 - 3.0/4466=7, 4.0/181=7...(9) HD3 LYS 39 - H LYS 42 OK 15 68 - 22 - 5.2/4893=15, 3.0/184=5 HD2 LYS 39 - H LYS 42 OK 15 68 - 22 - 5.2/4893=15, 3.0/184=5 HB2 ARG 56 - H LYS 42 OK 12 100 - 12 - 3.0/4466=3, 2141/3.0=2...(5) HG2 LYS 22 - H LYS 42 lone 10 99 - 10 - 5.1/181=2, 2141/3.0=2...(4) HG13 ILE 50 - H LYS 42 poor 9 63 - 14 - ~4602=4, 2141/3.0=2...(5) HD2 LYS 49 - H LYS 42 lone 8 89 - 9 - 2141/3.0=2, ~2141=1...(4) HD3 LYS 49 - H LYS 42 lone 8 87 - 9 - 2141/3.0=2, ~2141=1...(4) HB3 LYS 58 - H LYS 42 lone 8 97 - 8 - 2.8/2165=1, 2141/3.0=1 HB3 ARG 61 - H LYS 42 lone 5 99 - 5 - 4.6/892=1 Peak 678 from nnoeabs.peaks (1.66, 7.90, 117.73 ppm; 4.45 A): 2 out of 12 assignments used, quality = 0.93: * HD3 LYS 42 + H LYS 42 OK 91 100 - 91 - 6.1=40, 4.8/672=24...(15) HB2 LEU 37 + H LYS 42 OK 28 100 - 29 - 3.0/4466=7, 4.0/181=6...(6) HD3 LYS 62 - H LYS 42 OK 16 98 - 16 - 2195=3, 1.8/2195=3...(8) HD2 LYS 62 - H LYS 42 OK 16 97 - 16 - 2195=3, 1.8/2195=3...(7) HB2 LEU 68 - H LYS 42 OK 14 73 - 19 - 3.1/3651=6, 3.1/3651=6...(4) HD3 LYS 60 - H LYS 42 OK 11 97 - 12 - 2195=2, 1.8/2195=2...(6) HD2 LYS 60 - H LYS 42 OK 11 96 - 12 - 2195=2, 1.8/2195=2...(6) HB3 LEU 68 - H LYS 42 OK 11 60 - 18 - 3.1/3651=6, 3.1/3651=6...(4) HB2 LEU 64 - H LYS 42 OK 11 100 - 10 - 3.1/3651=4, 1.8/183=2 HG3 LYS 22 - H LYS 42 lone 7 87 - 8 - 5.1/181=2, 1.8/677=2...(4) HG LEU 64 - H LYS 42 lone 7 81 - 8 - 2.1/3651=4, 3.0/183=2 HB3 GLN 15 - H LYS 42 lone 5 65 - 8 - 4.0/15=3, 4027/187=2, 4.7/929=2 Peak 681 from nnoeabs.peaks (8.33, 8.33, 119.56 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 43 + H LEU 43 OK 100 100 - 100 Peak 682 from nnoeabs.peaks (4.87, 8.33, 119.56 ppm; 3.81 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 43 + H LEU 43 OK 100 100 - 100 - 3.0=100 Peak 683 from nnoeabs.peaks (1.23, 8.33, 119.56 ppm; 3.35 A): 2 out of 6 assignments used, quality = 0.89: * HB2 LEU 43 + H LEU 43 OK 87 100 - 87 - 4.0=57, 3.1/687=19...(13) HG LEU 19 + H LEU 43 OK 13 92 - 14 - 4109/4.8=8, 200/4.5=2...(5) HB2 LEU 29 - H LEU 43 lone 9 89 - 9 - 1.8/685=3, 3.0/4471=2, ~2229=1 QG2 THR 46 - H LEU 43 lone 5 71 - 8 - 4.3/4499=3, 200/4.5=2 HD2 LYS 27 - H LEU 43 lone 3 100 - 3 - QG2 THR 14 - H LEU 43 lone 3 87 - 3 - 4452/4471=1 Peak 684 from nnoeabs.peaks (1.60, 8.33, 119.56 ppm; 3.52 A): 2 out of 9 assignments used, quality = 0.96: * HB3 LEU 43 + H LEU 43 OK 92 100 - 92 - 4.0=66, 1.8/683=28...(14) HB2 LEU 41 + H LEU 43 OK 44 93 - 48 - 4.6/188=17, 4.0/4434=11...(9) HG3 ARG 21 - H LEU 43 OK 12 100 - 12 - 3.9/4486=3, 1.8/1372=2...(5) HG LEU 68 - H LEU 43 lone 10 96 - 10 - 2.1/686=3, 2.1/686=3...(4) HB3 LEU 64 - H LEU 43 lone 6 93 - 6 - 3.1/686=2 HB3 LEU 68 - H LEU 43 lone 5 63 - 9 - 3.1/686=3, 3.1/686=2 HG3 ARG 34 - H LEU 43 lone 5 89 - 6 - 1.8/192=2, 4575/4470=1 HG2 ARG 61 - H LEU 43 lone 3 99 - 3 - HG3 ARG 61 - H LEU 43 lone 3 99 - 3 - Peak 685 from nnoeabs.peaks (1.47, 8.33, 119.56 ppm; 3.64 A): 3 out of 5 assignments used, quality = 0.91: * HG LEU 43 + H LEU 43 OK 89 100 - 89 - 5.3=33, 2.1/687=28...(11) QB ALA 35 + H LEU 43 OK 15 92 - 16 - 2.1/189=5, 4363/4.7=3...(6) HB3 LEU 29 + H LEU 43 OK 13 97 - 13 - 1.8/683=3, 3.0/4471=3...(5) HG3 LYS 58 - H LEU 43 lone 5 89 - 5 - 2229/3.0=1, 1.8/193=1 HG3 ARG 56 - H LEU 43 lone 3 87 - 3 - 3.8/4486=2 Peak 686 from nnoeabs.peaks (0.85, 8.33, 119.56 ppm; 4.15 A): 1 out of 4 assignments used, quality = 0.96: * QD2 LEU 43 + H LEU 43 OK 96 100 - 96 - 4.8=66, 2254/3.0=40...(8) QD2 LEU 68 - H LEU 43 OK 17 100 - 17 - 3651/4.4=4, 2230/3.0=3...(8) QD1 LEU 68 - H LEU 43 OK 16 99 - 16 - 3651/4.4=4, 2230/3.0=3...(8) QD2 LEU 64 - H LEU 43 OK 10 99 - 10 - 3651/4.4=2, 2230/3.0=2...(6) Peak 687 from nnoeabs.peaks (0.66, 8.33, 119.56 ppm; 3.97 A): 1 out of 3 assignments used, quality = 0.94: * QD1 LEU 43 + H LEU 43 OK 94 100 - 94 - 4.8=57, 2.1/685=28...(13) HB2 ARG 55 - H LEU 43 lone 4 100 - 4 - 204/4.5=1, 4.0/4499=1 HG2 LYS 27 - H LEU 43 lone 3 76 - 4 - Peak 688 from nnoeabs.peaks (8.84, 8.84, 109.64 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H THR 44 + H THR 44 OK 100 100 - 100 Peak 689 from nnoeabs.peaks (4.65, 8.84, 109.64 ppm; 3.95 A): 1 out of 1 assignment used, quality = 1.00: * HA THR 44 + H THR 44 OK 100 100 - 100 - 2.9=100 Peak 690 from nnoeabs.peaks (4.78, 8.84, 109.64 ppm; 4.51 A): 1 out of 1 assignment used, quality = 1.00: * HB THR 44 + H THR 44 OK 100 100 - 100 - 4.0=100 Peak 691 from nnoeabs.peaks (1.28, 8.84, 109.64 ppm; 3.21 A): 2 out of 3 assignments used, quality = 0.66: * QG2 THR 44 + H THR 44 OK 62 100 - 62 - 4.0=52, 208/4.6=11...(5) QG2 THR 59 + H THR 44 OK 12 97 - 12 - 2275=8, 4502/4.5=2 HG12 ILE 50 - H THR 44 lone 2 99 - 2 - 4554/4565=1 Peak 692 from nnoeabs.peaks (9.24, 9.24, 121.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 45 + H GLU 45 OK 100 100 - 100 Peak 693 from nnoeabs.peaks (3.64, 9.24, 121.30 ppm; 3.79 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 45 + H GLU 45 OK 100 100 - 100 - 3.0=100 Peak 694 from nnoeabs.peaks (2.04, 9.24, 121.30 ppm; 3.31 A): 2 out of 9 assignments used, quality = 0.96: * HB2 GLU 45 + H GLU 45 OK 79 100 - 79 - 4.0=55, 3.0/2297=21...(8) HB3 GLU 45 + H GLU 45 OK 79 100 - 79 - 4.0=55, 3.0/2297=21...(8) HG3 GLU 45 - H GLU 45 OK 41 65 - 63 - 4.7=36, 1.8/2297=28...(6) HB2 LYS 22 - H GLU 45 lone 8 96 - 8 - 1.8/696=2, 3701/3.0=2...(4) HB3 GLU 20 - H GLU 45 lone 3 100 - 3 - ~3773=1 HB2 GLN 26 - H GLU 45 lone 1 78 - 1 - HB3 GLN 26 - H GLU 45 lone 1 78 - 1 - HB3 ARG 56 - H GLU 45 lone 1 99 - 1 - HB VAL 16 - H GLU 45 lone 0 57 - 1 - Peak 695 from nnoeabs.peaks (2.05, 9.24, 121.30 ppm; 3.31 A): 2 out of 9 assignments used, quality = 0.96: * HB3 GLU 45 + H GLU 45 OK 79 100 - 79 - 4.0=55, 3.0/2297=21...(8) HB2 GLU 45 + H GLU 45 OK 79 100 - 79 - 4.0=55, 3.0/2297=21...(8) HG3 GLU 45 - H GLU 45 OK 45 71 - 64 - 4.7=36, 1.8/2297=28...(6) HB2 LYS 22 - H GLU 45 lone 8 97 - 8 - 1.8/696=2, 3701/3.0=2...(4) HB3 GLU 20 - H GLU 45 lone 3 99 - 3 - ~3773=1 HB3 ARG 56 - H GLU 45 lone 1 97 - 1 - HB2 GLN 26 - H GLU 45 lone 1 73 - 1 - HB3 GLN 26 - H GLU 45 lone 1 73 - 1 - HB VAL 16 - H GLU 45 lone 1 63 - 1 - Peak 696 from nnoeabs.peaks (2.40, 9.24, 121.30 ppm; 3.57 A): 2 out of 7 assignments used, quality = 0.87: * HG2 GLU 45 + H GLU 45 OK 83 100 - 83 - 4.7=45, 1.8/2303=26...(12) HG3 GLN 47 + H GLU 45 OK 26 100 - 26 - 4566/4.6=12, 5.1/1014=11...(5) HB3 LYS 22 - H GLU 45 lone 8 87 - 10 - 3703/3.0=2, 213/4.6=2...(5) HG2 MET 11 - H GLU 45 lone 7 96 - 7 - 1100/3.6=2, 4507/4.6=2 HG3 GLU 18 - H GLU 45 lone 2 98 - 2 - HG3 GLU 20 - H GLU 45 lone 2 71 - 2 - HD2 ARG 55 - H GLU 45 lone 2 98 - 2 - Peak 697 from nnoeabs.peaks (2.07, 9.24, 121.30 ppm; 3.31 A): 3 out of 8 assignments used, quality = 0.93: * HG3 GLU 45 + H GLU 45 OK 67 100 - 67 - 4.7=36, 1.8/2297=28...(7) HB3 GLU 45 + H GLU 45 OK 56 71 - 79 - 4.0=55, 3.0/2297=21...(8) HB2 GLU 45 + H GLU 45 OK 52 65 - 79 - 4.0=55, 3.0/2297=21...(8) HB2 LYS 22 - H GLU 45 lone 7 92 - 8 - 1.8/696=2, 3701/3.0=2...(4) HB2 GLU 67 - H GLU 45 lone 1 92 - 1 - HB VAL 16 - H GLU 45 lone 1 100 - 1 - HB2 GLN 63 - H GLU 45 lone 1 99 - 1 - HG3 PRO 32 - H GLU 45 lone 1 65 - 1 - Peak 698 from nnoeabs.peaks (8.14, 8.14, 115.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H THR 46 + H THR 46 OK 100 100 - 100 Peak 699 from nnoeabs.peaks (3.90, 8.14, 115.25 ppm; 3.44 A): 1 out of 1 assignment used, quality = 1.00: * HA THR 46 + H THR 46 OK 100 100 - 100 - 2.9=100 Peak 700 from nnoeabs.peaks (4.06, 8.14, 115.25 ppm; 3.18 A): 1 out of 8 assignments used, quality = 0.69: * HB THR 46 + H THR 46 OK 69 100 - 69 - 4.0=49, 2.1/701=19...(5) HA ARG 21 - H THR 46 poor 10 97 - 10 - 3.6/962=4, 3713=3 HA LEU 37 - H THR 46 lone 9 100 - 9 - 3.0/989=4, 217/4.6=3 HA GLU 33 - H THR 46 lone 8 96 - 8 - 3.6/884=2, 3.0/974=2, 3731=1 HA LYS 39 - H THR 46 lone 5 78 - 6 - 3.0/1012=2, 217/4.6=1 HA ARG 56 - H THR 46 lone 3 83 - 3 - HA SER 24 - H THR 46 lone 2 87 - 2 - HB THR 14 - H THR 46 lone 1 92 - 1 - Peak 701 from nnoeabs.peaks (1.25, 8.14, 115.25 ppm; 3.73 A): 2 out of 5 assignments used, quality = 0.94: * QG2 THR 46 + H THR 46 OK 93 100 - 93 - 4.0=83, 2.1/2313=28...(4) HD2 LYS 27 + H THR 46 OK 15 83 - 18 - 1647/2.9=4, ~1657=3...(8) HB2 LEU 29 - H THR 46 lone 6 99 - 6 - 2312/2.9=2, 218/4.6=1 HB2 LEU 43 - H THR 46 lone 5 71 - 8 - 218/4.6=4, 2312/2.9=1 HG LEU 19 - H THR 46 lone 3 97 - 3 - 218/4.6=1 Peak 702 from nnoeabs.peaks (8.05, 8.05, 120.26 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLN 47 + H GLN 47 OK 100 100 - 100 Peak 703 from nnoeabs.peaks (3.96, 8.05, 120.26 ppm; 3.51 A): 1 out of 1 assignment used, quality = 1.00: * HA GLN 47 + H GLN 47 OK 100 100 - 100 - 3.0=100 Peak 704 from nnoeabs.peaks (2.58, 8.05, 120.26 ppm; 3.06 A): 1 out of 1 assignment used, quality = 0.79: * HB2 GLN 47 + H GLN 47 OK 79 100 - 79 - 4.0=44, 1.8/705=19...(13) Peak 705 from nnoeabs.peaks (1.83, 8.05, 120.26 ppm; 3.59 A): 1 out of 8 assignments used, quality = 0.96: * HB3 GLN 47 + H GLN 47 OK 96 100 - 96 - 4.0=72, 1.8/704=43...(14) HD2 LYS 22 - H GLN 47 OK 15 99 - 15 - 222/4.6=3, 3.5/707=2...(9) HB3 MET 11 - H GLN 47 lone 9 98 - 9 - 3.0/707=2, 446/6.9=2...(4) HB ILE 17 - H GLN 47 lone 5 96 - 5 - ~4544=1 HB2 ARG 61 - H GLN 47 lone 2 92 - 2 - HB2 LYS 58 - H GLN 47 lone 2 73 - 2 - HB2 LYS 60 - H GLN 47 lone 1 98 - 1 - HB2 LYS 62 - H GLN 47 lone 1 100 - 1 - Peak 706 from nnoeabs.peaks (2.55, 8.05, 120.26 ppm; 3.00 A): 1 out of 1 assignment used, quality = 0.75: * HG2 GLN 47 + H GLN 47 OK 75 100 - 75 - 2325/3.0=21, 5.1=20...(12) Peak 707 from nnoeabs.peaks (2.40, 8.05, 120.26 ppm; 3.65 A): 2 out of 7 assignments used, quality = 0.95: * HG3 GLN 47 + H GLN 47 OK 93 100 - 93 - 1.8/706=44, 5.1=36...(14) HG2 GLU 45 + H GLN 47 OK 33 100 - 34 - 4.7/1014=13, 3.9/1013=7...(8) HG2 MET 11 - H GLN 47 OK 15 89 - 17 - 4730/6.9=5, 4733/6.9=4...(6) HB3 LYS 22 - H GLN 47 OK 13 76 - 18 - 3.5/705=3, 2326/3.0=2...(7) HG3 GLU 18 - H GLN 47 lone 6 100 - 6 - 2353=1 HG3 GLU 20 - H GLN 47 lone 4 83 - 5 - 3.0/4541=2 HD2 ARG 55 - H GLN 47 lone 3 100 - 3 - Peak 710 from nnoeabs.peaks (7.68, 7.68, 118.72 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 48 + H VAL 48 OK 100 100 - 100 Peak 711 from nnoeabs.peaks (3.63, 7.68, 118.72 ppm; 3.44 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 48 + H VAL 48 OK 100 100 - 100 - 3.0=100 Peak 712 from nnoeabs.peaks (2.16, 7.68, 118.72 ppm; 3.24 A): 1 out of 4 assignments used, quality = 0.88: * HB VAL 48 + H VAL 48 OK 88 100 - 88 - 3.8=64, 2.1/714=26...(9) HB3 LYS 42 - H VAL 48 lone 8 97 - 8 - 4541/4.6=2, 229/4.6=1...(4) HB2 GLN 53 - H VAL 48 lone 4 93 - 4 - 4541/4.6=2, 229/4.6=1 HB2 GLU 20 - H VAL 48 lone 3 100 - 3 - Peak 713 from nnoeabs.peaks (1.00, 7.68, 118.72 ppm; 3.76 A): 1 out of 2 assignments used, quality = 0.97: * QG1 VAL 48 + H VAL 48 OK 97 100 - 97 - 4.0=86, 2.1/712=34...(9) QG2 VAL 16 - H VAL 48 lone 4 90 - 4 - Peak 714 from nnoeabs.peaks (0.95, 7.68, 118.72 ppm; 3.11 A): 2 out of 2 assignments used, quality = 0.88: * QG2 VAL 48 + H VAL 48 OK 84 100 - 84 - 4.0=48, 2.1/712=25...(11) QD1 LEU 37 + H VAL 48 OK 24 97 - 24 - 2365/3.0=5, 4552/4.7=4...(9) Peak 715 from nnoeabs.peaks (8.54, 8.54, 121.11 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 49 + H LYS 49 OK 100 100 - 100 Peak 716 from nnoeabs.peaks (4.33, 8.54, 121.11 ppm; 3.59 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 49 + H LYS 49 OK 100 100 - 100 - 3.0=100 Peak 717 from nnoeabs.peaks (2.13, 8.54, 121.11 ppm; 3.22 A): 1 out of 4 assignments used, quality = 0.84: * HB2 LYS 49 + H LYS 49 OK 84 100 - 84 - 4.0=52, 1.8/2401=32...(13) HB2 GLN 53 - H LYS 49 poor 9 76 - 12 - 234/4.5=4, 3.0/1020=2...(5) HB3 LYS 42 - H LYS 49 lone 6 68 - 8 - 1.8/718=3, 3.0/1020=1, 234/4.5=1 HG3 PRO 32 - H LYS 49 lone 3 60 - 5 - 2.3/1022=3 Peak 718 from nnoeabs.peaks (1.88, 8.54, 121.11 ppm; 3.26 A): 3 out of 6 assignments used, quality = 0.90: * HB3 LYS 49 + H LYS 49 OK 85 100 - 85 - 4.0=54, 1.8/2391=31...(15) HB3 ARG 34 + H LYS 49 OK 24 78 - 31 - 3.6/4344=14, 3.6/4345=11...(5) HG LEU 41 + H LYS 49 OK 10 93 - 11 - 4460/4.1=5, 5.2/1021=2 HB2 LYS 42 - H LYS 49 lone 10 98 - 10 - 1.8/229=3, 235/4.5=2...(4) HB2 GLU 33 - H LYS 49 lone 2 100 - 2 - HG2 ARG 21 - H LYS 49 lone 1 78 - 2 - Peak 719 from nnoeabs.peaks (1.57, 8.54, 121.11 ppm; 4.39 A): 2 out of 8 assignments used, quality = 1.00: * HG2 LYS 49 + H LYS 49 OK 98 100 - 98 - 4.9=71, 3.0/2401=40...(20) HG3 ARG 34 + H LYS 49 OK 76 92 - 83 - 3.0/4344=30, 3.0/4345=24...(14) HG LEU 37 - H LYS 49 OK 28 97 - 28 - 2.1/231=9, 4573/4.1=3...(9) HB3 LYS 27 - H LYS 49 OK 19 97 - 20 - 3.0/1022=5, 1.8/720=4...(7) HG3 LYS 39 - H LYS 49 OK 12 68 - 18 - 4.9/227=4, 2385/3.0=2...(9) QB ALA 31 - H LYS 49 lone 9 95 - 10 - 3.8/1022=4, 4273/3777=1 HG3 ARG 61 - H LYS 49 lone 4 73 - 5 - 4534/3777=1 HG2 ARG 61 - H LYS 49 lone 3 71 - 5 - 4534/3777=1 Peak 720 from nnoeabs.peaks (1.40, 8.54, 121.11 ppm; 4.59 A): 1 out of 6 assignments used, quality = 0.99: * HG3 LYS 49 + H LYS 49 OK 99 100 - 99 - 4.9=81, 3.0/2401=42...(15) HB2 LYS 27 - H LYS 49 OK 14 83 - 16 - 3.0/1022=6, 2386/3.0=4...(5) HB3 LEU 41 - H LYS 49 OK 11 60 - 19 - 4.0/1021=4, 4463/4.1=4...(5) HG13 ILE 17 - H LYS 49 lone 4 78 - 4 - 237/4.5=2 HG2 LYS 60 - H LYS 49 lone 2 63 - 3 - HG3 LYS 60 - H LYS 49 lone 2 60 - 3 - Peak 721 from nnoeabs.peaks (1.70, 8.54, 121.11 ppm; 4.29 A): 2 out of 12 assignments used, quality = 0.99: HD3 LYS 49 + H LYS 49 OK 90 100 - 91 - 3.7/2401=33, 6.2=33...(19) * HD2 LYS 49 + H LYS 49 OK 90 100 - 91 - 3.7/2401=33, 6.2=33...(19) HG13 ILE 50 - H LYS 49 OK 39 97 - 41 - 4.9/232=22, 2398/4.0=5...(7) HD3 LYS 39 - H LYS 49 OK 18 98 - 19 - 6.2/227=3, 2388/3.0=2...(8) HD2 LYS 39 - H LYS 49 OK 18 98 - 19 - 6.2/227=3, 2388/3.0=2...(8) HG2 LYS 22 - H LYS 49 OK 18 97 - 18 - 4152/4.1=7, 2388/3.0=1...(6) HB3 LEU 37 - H LYS 49 OK 12 60 - 20 - 3.1/231=8, 3.0/719=3...(5) HG3 LYS 22 - H LYS 49 OK 11 71 - 15 - 4154/4.1=4, 5.1/1021=1...(5) HD2 LYS 42 - H LYS 49 poor 10 89 - 11 - 3.8/229=3, 3.8/718=2, 4.8/1020=2 HB2 ARG 56 - H LYS 49 lone 3 87 - 3 - HB3 ARG 61 - H LYS 49 lone 2 73 - 3 - HB3 LYS 58 - H LYS 49 lone 2 63 - 2 - Peak 722 from nnoeabs.peaks (1.70, 8.54, 121.11 ppm; 4.29 A): 2 out of 11 assignments used, quality = 0.99: * HD3 LYS 49 + H LYS 49 OK 90 100 - 91 - 3.7/2401=33, 6.2=33...(19) HD2 LYS 49 + H LYS 49 OK 90 100 - 91 - 3.7/2401=33, 6.2=33...(19) HG13 ILE 50 - H LYS 49 OK 39 97 - 41 - 4.9/232=22, 2398/4.0=5...(7) HD3 LYS 39 - H LYS 49 OK 19 99 - 19 - 6.2/227=3, 2388/3.0=2...(8) HD2 LYS 39 - H LYS 49 OK 19 99 - 19 - 6.2/227=3, 2388/3.0=2...(8) HG2 LYS 22 - H LYS 49 OK 18 96 - 18 - 4152/4.1=7, 2388/3.0=1...(6) HG3 LYS 22 - H LYS 49 OK 12 73 - 16 - 4154/4.1=4, 5.1/1021=1...(5) HD2 LYS 42 - H LYS 49 poor 10 87 - 11 - 3.8/229=3, 3.8/718=2, 4.8/1020=2 HB2 ARG 56 - H LYS 49 lone 3 85 - 3 - HB3 ARG 61 - H LYS 49 lone 2 71 - 3 - HB3 LYS 58 - H LYS 49 lone 1 60 - 2 - Peak 725 from nnoeabs.peaks (8.69, 8.69, 119.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ILE 50 + H ILE 50 OK 100 100 - 100 Peak 726 from nnoeabs.peaks (3.77, 8.69, 119.98 ppm; 3.77 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 50 + H ILE 50 OK 100 100 - 100 - 3.0=100 Peak 727 from nnoeabs.peaks (1.94, 8.69, 119.98 ppm; 3.16 A): 1 out of 6 assignments used, quality = 0.88: * HB ILE 50 + H ILE 50 OK 88 100 - 88 - 3.9=51, 3.0/2492=20...(15) HD3 LYS 22 - H ILE 50 lone 6 73 - 9 - ~4600=1, 4158/4.0=1...(5) HB3 LYS 39 - H ILE 50 lone 5 96 - 5 - HB2 LYS 39 - H ILE 50 lone 4 93 - 5 - HB2 ARG 34 - H ILE 50 lone 3 100 - 3 - 1.8/235=1 HB3 GLU 67 - H ILE 50 lone 1 76 - 1 - Peak 728 from nnoeabs.peaks (0.91, 8.69, 119.98 ppm; 3.88 A): 1 out of 3 assignments used, quality = 0.99: * QG2 ILE 50 + H ILE 50 OK 99 100 - 99 - 4.0=89, 2.1/2478=41...(16) QD2 LEU 37 - H ILE 50 OK 23 100 - 22 - 2474/3.0=6, 245/4.7=4...(7) QD1 LEU 64 - H ILE 50 lone 4 99 - 4 - Peak 729 from nnoeabs.peaks (1.29, 8.69, 119.98 ppm; 3.76 A): 1 out of 3 assignments used, quality = 0.95: * HG12 ILE 50 + H ILE 50 OK 95 100 - 95 - 2492=49, 3.0/2478=32...(13) QG2 THR 44 - H ILE 50 lone 2 99 - 2 - QG2 THR 59 - H ILE 50 lone 2 100 - 2 - Peak 730 from nnoeabs.peaks (1.69, 8.69, 119.98 ppm; 3.43 A): 3 out of 14 assignments used, quality = 0.99: * HG13 ILE 50 + H ILE 50 OK 91 100 - 91 - 4.9=34, 1.8/2492=31...(18) HD3 LYS 49 + H ILE 50 OK 63 97 - 65 - 3.7/3534=19, 3.7/3535=17...(13) HD2 LYS 49 + H ILE 50 OK 62 97 - 64 - 3.7/3534=19, 3.7/3535=17...(13) HG3 LYS 22 - H ILE 50 OK 14 93 - 15 - 4154/4.0=4, 2476/3.0=2...(5) HD3 LYS 39 - H ILE 50 OK 13 100 - 12 - 2499=2, 1.8/2499=1, 2388/3.6=1 HD2 LYS 39 - H ILE 50 OK 13 100 - 12 - 2499=2, 1.8/2499=1, 2388/3.6=1 HG2 LYS 22 - H ILE 50 OK 11 78 - 14 - 4152/4.0=3, ~4600=2...(5) HB2 LEU 37 - H ILE 50 poor 8 63 - 13 - 3.1/728=4, ~3743=2...(5) HD2 LYS 42 - H ILE 50 lone 5 63 - 8 - 3.8/235=2, 3.8/234=2, 4.8/1027=1 HB2 ARG 56 - H ILE 50 lone 1 60 - 2 - HD2 LYS 60 - H ILE 50 lone 1 83 - 1 - HD3 LYS 60 - H ILE 50 lone 1 78 - 1 - HD2 LYS 62 - H ILE 50 lone 1 78 - 1 - HD3 LYS 62 - H ILE 50 lone 1 76 - 1 - Peak 731 from nnoeabs.peaks (0.80, 8.69, 119.98 ppm; 4.21 A): 1 out of 2 assignments used, quality = 0.98: * QD1 ILE 50 + H ILE 50 OK 98 100 - 98 - 4.9=63, 2.1/2492=41...(15) QG2 ILE 17 - H ILE 50 OK 13 98 - 13 - 2477/3.0=4, 248/4.7=2...(5) Peak 732 from nnoeabs.peaks (8.27, 8.27, 121.67 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H TRP 51 + H TRP 51 OK 100 100 - 100 Peak 733 from nnoeabs.peaks (4.02, 8.27, 121.67 ppm; 3.51 A): 1 out of 1 assignment used, quality = 1.00: * HA TRP 51 + H TRP 51 OK 100 100 - 100 - 2.9=100 Peak 734 from nnoeabs.peaks (3.50, 8.27, 121.67 ppm; 3.30 A): 2 out of 2 assignments used, quality = 0.84: * HB2 TRP 51 + H TRP 51 OK 79 100 - 79 - 4.1=54, 1.8/2533=25...(7) HB3 PHE 52 + H TRP 51 OK 24 63 - 38 - 4.1/901=17, 1.8/735=10...(5) Peak 735 from nnoeabs.peaks (3.29, 8.27, 121.67 ppm; 3.17 A): 2 out of 5 assignments used, quality = 0.84: * HB3 TRP 51 + H TRP 51 OK 76 100 - 76 - 4.1=48, 1.8/734=25...(10) HB2 PHE 52 + H TRP 51 OK 31 89 - 35 - 4.1/901=15, 1.8/734=8...(6) HD3 ARG 34 - H TRP 51 lone 7 78 - 9 - 4344/1031=3, 3792/3789=2 HB3 HIS 13 - H TRP 51 lone 1 85 - 1 - HB3 HIS 25 - H TRP 51 lone 1 90 - 1 - Peak 736 from nnoeabs.peaks (7.14, 8.27, 121.67 ppm; 4.88 A): 1 out of 4 assignments used, quality = 0.92: * HD1 TRP 51 + H TRP 51 OK 92 100 - 92 - 5.9=58, 4572/2.9=41...(6) QD TYR 57 - H TRP 51 lone 6 100 - 6 - 2517/2.9=2 QD TYR 28 - H TRP 51 lone 3 93 - 3 - HD2 HIS 13 - H TRP 51 lone 2 83 - 3 - Peak 737 from nnoeabs.peaks (6.97, 8.27, 121.67 ppm; 4.98 A): 1 out of 2 assignments used, quality = 0.91: * HE3 TRP 51 + H TRP 51 OK 91 100 - 91 - 5.7=66, 4.2/2533=30...(6) HZ PHE 23 - H TRP 51 poor 8 73 - 11 - 254/4.6=8, 4594/3.6=2 Peak 742 from nnoeabs.peaks (8.94, 8.94, 119.28 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H PHE 52 + H PHE 52 OK 100 100 - 100 Peak 743 from nnoeabs.peaks (3.76, 8.94, 119.28 ppm; 3.90 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 52 + H PHE 52 OK 100 100 - 100 - 2.9=100 Peak 744 from nnoeabs.peaks (3.27, 8.94, 119.28 ppm; 3.62 A): 2 out of 4 assignments used, quality = 0.97: * HB2 PHE 52 + H PHE 52 OK 90 100 - 90 - 4.1=71, 1.8/2605=33...(8) HB3 TRP 51 + H PHE 52 OK 72 89 - 81 - 4.3=61, 1.8/251=23...(7) HD3 ARG 34 - H PHE 52 OK 15 100 - 15 - 4342/3796=4, 4334/4632=4...(5) HB3 HIS 13 - H PHE 52 lone 1 100 - 1 - Peak 745 from nnoeabs.peaks (3.53, 8.94, 119.28 ppm; 3.33 A): 2 out of 3 assignments used, quality = 0.88: * HB3 PHE 52 + H PHE 52 OK 78 100 - 78 - 4.1=55, 2.5/747=22...(7) HB2 TRP 51 + H PHE 52 OK 44 63 - 70 - 4.3=48, 4.1/901=17...(7) HD2 ARG 34 - H PHE 52 lone 9 93 - 10 - 4340/3796=3, 1.8/744=3 Peak 747 from nnoeabs.peaks (7.75, 8.94, 119.28 ppm; 3.75 A): 2 out of 3 assignments used, quality = 0.91: * QD PHE 52 + H PHE 52 OK 89 100 - 90 - 4.5=58, 2.5/2605=30...(11) H ARG 56 + H PHE 52 OK 13 100 - 13 - 4626/4.3=3, 1056/1046=3...(5) H THR 59 - H PHE 52 lone 2 78 - 2 - Peak 748 from nnoeabs.peaks (8.03, 8.03, 118.15 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLN 53 + H GLN 53 OK 100 100 - 100 Peak 749 from nnoeabs.peaks (3.94, 8.03, 118.15 ppm; 3.47 A): 1 out of 1 assignment used, quality = 1.00: * HA GLN 53 + H GLN 53 OK 100 100 - 100 - 2.9=100 Peak 750 from nnoeabs.peaks (2.15, 8.03, 118.15 ppm; 3.13 A): 2 out of 5 assignments used, quality = 0.79: * HB2 GLN 53 + H GLN 53 OK 75 100 - 75 - 4.0=47, 1.8/751=28...(7) HB2 GLU 20 + H GLN 53 OK 14 93 - 14 - 3.0/752=2, 4.1/903=2...(8) HB2 LYS 49 - H GLN 53 poor 9 76 - 12 - 3.0/1043=6, 4591/4.5=2...(4) HB3 LYS 42 - H GLN 53 lone 4 100 - 4 - HB VAL 48 - H GLN 53 lone 4 93 - 4 - 4.4/1021=1 Peak 751 from nnoeabs.peaks (2.22, 8.03, 118.15 ppm; 3.18 A): 2 out of 4 assignments used, quality = 0.79: * HB3 GLN 53 + H GLN 53 OK 76 100 - 76 - 4.0=49, 1.8/750=25...(7) HG2 ARG 56 + H GLN 53 OK 13 83 - 16 - ~3826=5, ~3827=4...(5) HG3 GLU 33 - H GLN 53 lone 1 92 - 1 - HG3 GLU 67 - H GLN 53 lone 1 65 - 1 - Peak 752 from nnoeabs.peaks (2.44, 8.03, 118.15 ppm; 3.94 A): 3 out of 3 assignments used, quality = 0.87: * HG2 GLN 53 + H GLN 53 OK 83 100 - 83 - 5.1=46, 3.0/751=30...(7) HG3 GLU 20 + H GLN 53 OK 14 92 - 15 - 3.0/750=5, 4.1/3705=3...(5) HG2 GLU 20 + H GLN 53 OK 10 71 - 14 - 3.0/750=5, 4.1/3705=3...(5) Peak 753 from nnoeabs.peaks (2.37, 8.03, 118.15 ppm; 4.17 A): 2 out of 5 assignments used, quality = 0.92: * HG3 GLN 53 + H GLN 53 OK 88 100 - 88 - 5.1=55, 3.0/751=33...(6) HB3 LYS 22 + H GLN 53 OK 34 96 - 35 - 1.8/1414=7, 3.0/1043=6...(10) HG3 GLN 63 - H GLN 53 lone 6 99 - 6 - 2655=2, 1.8/2655=1, 3.7/1043=1 HG2 GLN 63 - H GLN 53 lone 6 97 - 6 - 2655=2, 1.8/2655=1, 3.7/1043=1 HG2 MET 11 - H GLN 53 lone 2 87 - 2 - Peak 756 from nnoeabs.peaks (8.29, 8.29, 117.45 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * H ASN 54 + H ASN 54 OK 100 100 - 100 H SER 66 - H SER 66 OK 43 43 - 100 Peak 757 from nnoeabs.peaks (4.36, 8.29, 117.45 ppm; 3.42 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 54 + H ASN 54 OK 100 100 - 100 - 3.0=100 Peak 758 from nnoeabs.peaks (2.48, 8.29, 117.45 ppm; 3.47 A): 1 out of 10 assignments used, quality = 0.84: * HB2 ASN 54 + H ASN 54 OK 84 100 - 84 - 4.1=63, 1.8/759=38...(7) HG2 GLU 20 - H ASN 54 lone 9 96 - 10 - 3.0/267=3, 3389=2...(5) HB2 ASN 54 - H SER 66 lone 5 51 - 10 - 2669=3, 1.8/2675=3...(5) HG3 GLN 15 - H ASN 54 lone 4 97 - 4 - 275/4.6=1 HG3 MET 11 - H ASN 54 lone 2 98 - 2 - HB2 GLN 15 - H ASN 54 lone 2 60 - 3 - 2.9/1048=1 HG2 GLU 20 - H SER 66 lone 1 45 - 2 - 1336/4.7=1 HG3 MET 11 - H SER 66 lone 0 47 - 1 - HG3 GLN 15 - H SER 66 lone 0 47 - 1 - HB2 GLN 15 - H SER 66 lone 0 24 - 1 - Peak 759 from nnoeabs.peaks (2.65, 8.29, 117.45 ppm; 3.16 A): 1 out of 2 assignments used, quality = 0.71: * HB3 ASN 54 + H ASN 54 OK 71 100 - 71 - 4.1=47, 1.8/758=23...(7) HB3 ASN 54 - H SER 66 lone 4 51 - 8 - 2675=3, 1.8/2669=2 Peak 760 from nnoeabs.peaks (7.49, 8.29, 117.45 ppm; 4.50 A): 2 out of 8 assignments used, quality = 0.97: * HD21 ASN 54 + H ASN 54 OK 90 100 - 90 - 5.1=67, 3.4/759=37...(6) HE22 GLN 53 + H ASN 54 OK 66 92 - 72 - 3.5/269=26, 4.4/268=23...(7) HD21 ASN 54 - H SER 66 poor 7 51 - 14 - 391=3, 1.7/397=3...(4) H GLN 15 - H ASN 54 lone 7 83 - 8 - 3.0/1048=2, 4.2/1047=1 HE22 GLN 53 - H SER 66 poor 5 42 - 12 - 3.5/3564=3, 4.4/3563=2...(5) H TYR 28 - H ASN 54 lone 2 90 - 2 - H TYR 28 - H SER 66 lone 1 41 - 2 - H GLN 15 - H SER 66 lone 1 36 - 2 - Peak 761 from nnoeabs.peaks (6.91, 8.29, 117.45 ppm; 5.02 A): 2 out of 6 assignments used, quality = 0.99: * HD22 ASN 54 + H ASN 54 OK 98 100 - 98 - 5.1=93, 3.4/759=42...(5) HE21 GLN 53 + H ASN 54 OK 55 68 - 81 - 3.5/269=30, 4.4/268=28...(7) HD22 ASN 54 - H SER 66 poor 8 51 - 16 - 397=4, 1.7/391=3...(4) HE21 GLN 47 - H ASN 54 lone 8 100 - 8 - 4597/4657=3, 6.9/904=1 HE21 GLN 53 - H SER 66 poor 4 28 - 15 - 3.5/3564=3, 4.4/3563=3...(6) HE21 GLN 47 - H SER 66 lone 2 51 - 4 - Peak 762 from nnoeabs.peaks (8.07, 8.07, 122.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ARG 55 + H ARG 55 OK 100 100 - 100 Peak 763 from nnoeabs.peaks (3.43, 8.07, 122.80 ppm; 3.91 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 55 + H ARG 55 OK 100 100 - 100 - 3.0=100 Peak 764 from nnoeabs.peaks (0.65, 8.07, 122.80 ppm; 3.69 A): 2 out of 3 assignments used, quality = 0.90: * HB2 ARG 55 + H ARG 55 OK 89 100 - 89 - 4.0=77, 1.8/765=18...(6) QD1 LEU 43 + H ARG 55 OK 13 100 - 13 - 4479/4.0=2, 281/4.5=2...(5) HG2 LYS 27 - H ARG 55 lone 3 87 - 3 - 281/4.5=2 Peak 765 from nnoeabs.peaks (-0.28, 8.07, 122.80 ppm; 3.75 A): 2 out of 3 assignments used, quality = 0.98: * HB3 ARG 55 + H ARG 55 OK 91 100 - 91 - 4.0=81, 1.8/764=32...(5) HG2 ARG 55 + H ARG 55 OK 77 100 - 77 - 5.1=40, 3.0/764=25...(8) QD1 LEU 19 - H ARG 55 OK 10 100 - 10 - 4703/4.0=3, 3820/3817=2...(5) Peak 766 from nnoeabs.peaks (-0.28, 8.07, 122.80 ppm; 3.75 A): 2 out of 3 assignments used, quality = 0.98: HB3 ARG 55 + H ARG 55 OK 91 100 - 91 - 4.0=81, 1.8/764=32...(5) * HG2 ARG 55 + H ARG 55 OK 77 100 - 78 - 5.1=40, 3.0/764=25...(8) QD1 LEU 19 - H ARG 55 OK 10 100 - 10 - 4703/4.0=3, 3820/3817=2...(5) Peak 767 from nnoeabs.peaks (-0.44, 8.07, 122.80 ppm; 5.06 A): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 55 + H ARG 55 OK 100 100 - 100 - 5.1=100 Peak 770 from nnoeabs.peaks (7.75, 7.75, 117.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ARG 56 + H ARG 56 OK 100 100 - 100 Peak 771 from nnoeabs.peaks (4.08, 7.75, 117.78 ppm; 3.85 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 56 + H ARG 56 OK 100 100 - 100 - 3.0=100 Peak 772 from nnoeabs.peaks (1.72, 7.75, 117.78 ppm; 4.01 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 56 + H ARG 56 OK 100 100 - 100 - 3.9=100 Peak 773 from nnoeabs.peaks (2.04, 7.75, 117.78 ppm; 3.67 A): 1 out of 7 assignments used, quality = 0.91: * HB3 ARG 56 + H ARG 56 OK 91 100 - 91 - 3.9=83, 3.0/774=21...(7) HB3 GLU 20 - H ARG 56 lone 5 100 - 5 - 4.1/1056=2, 290/4.6=1 HB2 LYS 22 - H ARG 56 lone 3 83 - 4 - 4141/4635=1 HB3 GLN 26 - H ARG 56 lone 2 93 - 2 - HB2 GLN 26 - H ARG 56 lone 2 93 - 2 - HB2 GLU 45 - H ARG 56 lone 1 99 - 1 - HB3 GLU 45 - H ARG 56 lone 1 97 - 1 - Peak 774 from nnoeabs.peaks (2.20, 7.75, 117.78 ppm; 3.95 A): 2 out of 2 assignments used, quality = 0.87: * HG2 ARG 56 + H ARG 56 OK 83 100 - 83 - 4.6=63, 3.0/773=28...(6) HB3 GLN 53 + H ARG 56 OK 20 83 - 24 - 3.0/3824=15, 4.4/1056=9 Peak 775 from nnoeabs.peaks (1.45, 7.75, 117.78 ppm; 4.26 A): 1 out of 10 assignments used, quality = 0.93: * HG3 ARG 56 + H ARG 56 OK 93 100 - 93 - 4.6=78, 1.8/774=34...(7) HG3 LYS 58 - H ARG 56 OK 23 100 - 23 - 4.9/1059=11, 3592=4...(5) HB3 LEU 29 - H ARG 56 OK 13 99 - 13 - 3.1/4247=4, 3.1/4250=4...(4) HB3 LEU 41 - H ARG 56 poor 9 68 - 13 - 4819/4.7=3, 4.0/279=2...(4) HG LEU 43 - H ARG 56 lone 7 87 - 7 - 2.1/281=4, 2742/3.0=1 HG2 LYS 39 - H ARG 56 lone 6 76 - 8 - 4.9/1059=2, 2742/3.0=1, ~2026=1 HG2 LYS 62 - H ARG 56 lone 3 83 - 3 - 4.9/1056=1 HG3 LYS 62 - H ARG 56 lone 3 83 - 3 - 4.9/1056=1 HG3 LYS 60 - H ARG 56 lone 1 68 - 2 - HG2 LYS 60 - H ARG 56 lone 1 65 - 2 - Peak 778 from nnoeabs.peaks (7.56, 7.56, 119.05 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H TYR 57 + H TYR 57 OK 100 100 - 100 H GLU 18 + H GLU 18 OK 69 69 - 100 Peak 779 from nnoeabs.peaks (4.44, 7.56, 119.05 ppm; 3.40 A): 1 out of 1 assignment used, quality = 1.00: * HA TYR 57 + H TYR 57 OK 100 100 - 100 - 3.0=100 Peak 780 from nnoeabs.peaks (3.09, 7.56, 119.05 ppm; 3.22 A): 2 out of 6 assignments used, quality = 0.80: * HB2 TYR 57 + H TYR 57 OK 78 100 - 78 - 4.0=52, 1.8/781=24...(7) HB2 TYR 57 + H GLU 18 OK 10 76 - 13 - 2799=5, 1.8/2805=4...(4) HB3 PHE 23 - H GLU 18 lone 6 65 - 9 - 1.8/781=2, 3710/3.0=2...(4) HB3 PHE 23 - H TYR 57 lone 5 92 - 6 - 4.4/4634=3, 1.8/781=2 HB3 HIS 10 - H TYR 57 lone 2 96 - 2 - HB3 HIS 10 - H GLU 18 lone 1 69 - 1 - Peak 781 from nnoeabs.peaks (3.17, 7.56, 119.05 ppm; 3.30 A): 2 out of 12 assignments used, quality = 0.84: * HB3 TYR 57 + H TYR 57 OK 82 100 - 82 - 4.0=56, 1.8/780=28...(8) HB3 TYR 57 + H GLU 18 OK 11 76 - 14 - 2805=5, 1.8/2799=4...(4) HB2 PHE 23 - H GLU 18 lone 6 69 - 9 - 1.8/780=2, 3708/3.0=2...(5) HB2 PHE 23 - H TYR 57 lone 6 96 - 6 - 4.4/4634=3, 1.8/780=2 HD3 ARG 61 - H TYR 57 lone 2 71 - 2 - HD2 ARG 61 - H TYR 57 lone 2 71 - 2 - HB2 HIS 36 - H TYR 57 lone 2 78 - 2 - HB3 HIS 36 - H TYR 57 lone 2 78 - 2 - HB2 HIS 36 - H GLU 18 lone 1 52 - 2 - HB3 HIS 36 - H GLU 18 lone 1 52 - 2 - HD3 ARG 61 - H GLU 18 lone 0 47 - 1 - HD2 ARG 61 - H GLU 18 lone 0 47 - 1 - Peak 783 from nnoeabs.peaks (7.14, 7.56, 119.05 ppm; 4.04 A): 1 out of 8 assignments used, quality = 0.96: * QD TYR 57 + H TYR 57 OK 96 100 - 96 - 4.4=79, 4614/3.0=38...(9) QD TYR 57 - H GLU 18 OK 12 75 - 16 - 2.5/2805=5, 2.5/2799=5 HD1 TRP 51 - H TYR 57 lone 8 100 - 7 - 5.1/4726=3, 4673/3.6=1 HD2 HIS 13 - H GLU 18 lone 5 56 - 9 - 4621/3373=3, 4623/3372=2 HD2 HIS 13 - H TYR 57 lone 4 83 - 5 - 4621/3373=1, 4623/3372=1 HD1 TRP 51 - H GLU 18 lone 3 76 - 4 - 5.1/4726=2 QD TYR 28 - H TYR 57 lone 2 93 - 2 - QD TYR 28 - H GLU 18 lone 1 66 - 1 - Peak 784 from nnoeabs.peaks (7.68, 7.68, 119.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 58 + H LYS 58 OK 100 100 - 100 Peak 785 from nnoeabs.peaks (4.11, 7.68, 119.80 ppm; 3.53 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 58 + H LYS 58 OK 100 100 - 100 - 3.0=100 Peak 786 from nnoeabs.peaks (1.80, 7.68, 119.80 ppm; 3.56 A): 1 out of 8 assignments used, quality = 0.91: * HB2 LYS 58 + H LYS 58 OK 91 100 - 91 - 4.0=70, 1.8/787=23...(11) HB2 ARG 61 - H LYS 58 lone 7 98 - 7 - 1.8/787=2 HD2 LYS 22 - H LYS 58 lone 5 89 - 5 - 4716/4.6=3 HB3 LYS 60 - H LYS 58 lone 3 73 - 4 - 303/4.6=2 HB3 GLN 47 - H LYS 58 lone 3 73 - 4 - HB2 LYS 62 - H LYS 58 lone 3 68 - 4 - 303/4.6=1 HB3 LYS 62 - H LYS 58 lone 3 65 - 4 - HB2 PRO 32 - H LYS 58 lone 1 99 - 1 - Peak 787 from nnoeabs.peaks (1.73, 7.68, 119.80 ppm; 3.29 A): 2 out of 8 assignments used, quality = 0.90: * HB3 LYS 58 + H LYS 58 OK 85 100 - 85 - 4.0=55, 1.8/786=25...(13) HB2 ARG 56 + H LYS 58 OK 31 97 - 32 - 4.6/295=11, 3.0/3843=9...(6) HB3 LEU 37 - H LYS 58 lone 10 100 - 10 - 4.0/992=2, 4.4/888=2, 3.0/3757=2 HB3 ARG 61 - H LYS 58 lone 7 100 - 7 - 1.8/786=2 HD2 LYS 42 - H LYS 58 lone 5 97 - 5 - 3.0/788=1, 3.0/788=1 HG2 LYS 22 - H LYS 58 lone 4 89 - 5 - 4717/4.6=2 HD2 LYS 49 - H LYS 58 lone 1 63 - 1 - HD3 LYS 49 - H LYS 58 lone 1 60 - 1 - Peak 788 from nnoeabs.peaks (1.36, 7.68, 119.80 ppm; 4.25 A): 1 out of 7 assignments used, quality = 0.95: * HG2 LYS 58 + H LYS 58 OK 95 100 - 95 - 4.9=64, 2.8/786=30...(14) QB ALA 38 - H LYS 58 OK 17 92 - 18 - 2.9/888=4, 3479=3...(5) HG2 LYS 42 - H LYS 58 lone 8 100 - 8 - 305/4.6=2, 2827/3.0=2...(4) HG3 LYS 42 - H LYS 58 lone 8 100 - 8 - 305/4.6=2, 2827/3.0=2...(4) HG13 ILE 17 - H LYS 58 lone 7 90 - 8 - 3373/4.5=4 HD3 LYS 27 - H LYS 58 lone 3 68 - 5 - 4210/4.6=2 HG2 ARG 34 - H LYS 58 lone 3 87 - 3 - Peak 789 from nnoeabs.peaks (1.45, 7.68, 119.80 ppm; 4.07 A): 2 out of 10 assignments used, quality = 0.96: * HG3 LYS 58 + H LYS 58 OK 94 100 - 94 - 4.9=57, 2.8/786=28...(15) HG3 ARG 56 + H LYS 58 OK 34 100 - 34 - 3.8/3843=11, 4.6/1059=10...(5) HG2 LYS 39 - H LYS 58 OK 19 73 - 25 - 1.8/2025=6, 2015=3...(11) HG3 LYS 62 - H LYS 58 lone 6 81 - 7 - 4851/3.6=1, 1.8/2015=1 HG2 LYS 62 - H LYS 58 lone 6 81 - 7 - 4851/3.6=1, 1.8/2015=1 HB3 LEU 41 - H LYS 58 lone 4 65 - 6 - 4.0/1008=1, 4851/3.6=1 HG3 LYS 60 - H LYS 58 lone 3 65 - 5 - 4851/3.6=1 HG2 LYS 60 - H LYS 58 lone 3 63 - 5 - 4851/3.6=1 HG LEU 43 - H LYS 58 lone 3 89 - 3 - HB3 LEU 29 - H LYS 58 lone 2 99 - 2 - Peak 790 from nnoeabs.peaks (1.54, 7.68, 119.80 ppm; 4.90 A): 2 out of 6 assignments used, quality = 1.00: * HD2 LYS 58 + H LYS 58 OK 96 100 - 96 - 6.2=49, 3.5/786=32...(14) HD3 LYS 58 + H LYS 58 OK 96 100 - 96 - 6.2=49, 3.5/786=32...(14) HG3 LYS 39 - H LYS 58 OK 31 100 - 31 - 2025=8, 1.8/2015=5...(10) HG LEU 37 - H LYS 58 OK 12 83 - 14 - 5.0/992=4, 3.0/787=3...(4) HB3 LYS 27 - H LYS 58 lone 6 83 - 7 - 4206/4.6=4 QB ALA 31 - H LYS 58 lone 2 87 - 2 - Peak 791 from nnoeabs.peaks (1.54, 7.68, 119.80 ppm; 4.90 A): 2 out of 6 assignments used, quality = 1.00: HD2 LYS 58 + H LYS 58 OK 96 100 - 96 - 6.2=49, 3.5/786=32...(14) * HD3 LYS 58 + H LYS 58 OK 96 100 - 96 - 6.2=49, 3.5/786=32...(14) HG3 LYS 39 - H LYS 58 OK 31 100 - 31 - 2025=8, 1.8/2015=5...(10) HG LEU 37 - H LYS 58 OK 12 83 - 14 - 5.0/992=4, 3.0/787=3...(4) HB3 LYS 27 - H LYS 58 lone 6 83 - 7 - 4206/4.6=4 QB ALA 31 - H LYS 58 lone 2 87 - 2 - Peak 794 from nnoeabs.peaks (7.72, 7.72, 113.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H THR 59 + H THR 59 OK 100 100 - 100 Peak 795 from nnoeabs.peaks (4.26, 7.72, 113.00 ppm; 3.54 A): 1 out of 1 assignment used, quality = 1.00: * HA THR 59 + H THR 59 OK 100 100 - 100 - 3.0=100 Peak 796 from nnoeabs.peaks (4.28, 7.72, 113.00 ppm; 3.45 A): 1 out of 1 assignment used, quality = 0.81: HA THR 59 + H THR 59 OK 81 81 - 100 - 3.0=100 Reference assignment not found: HB THR 59 - H THR 59 Peak 797 from nnoeabs.peaks (1.29, 7.72, 113.00 ppm; 3.65 A): 1 out of 3 assignments used, quality = 0.89: * QG2 THR 59 + H THR 59 OK 89 100 - 89 - 4.0=79, 2916/3.0=32...(5) QG2 THR 44 - H THR 59 lone 3 97 - 3 - HG12 ILE 50 - H THR 59 lone 1 100 - 1 - Peak 798 from nnoeabs.peaks (7.98, 7.98, 123.03 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 60 + H LYS 60 OK 100 100 - 100 Peak 799 from nnoeabs.peaks (4.26, 7.98, 123.03 ppm; 3.49 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 60 + H LYS 60 OK 100 100 - 100 - 3.0=100 Peak 800 from nnoeabs.peaks (1.83, 7.98, 123.03 ppm; 4.11 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 60 + H LYS 60 OK 100 100 - 100 - 3.8=100 Peak 801 from nnoeabs.peaks (1.78, 7.98, 123.03 ppm; 3.86 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 60 + H LYS 60 OK 100 100 - 100 - 3.8=100 Peak 802 from nnoeabs.peaks (1.43, 7.98, 123.03 ppm; 4.77 A): 2 out of 10 assignments used, quality = 1.00: * HG2 LYS 60 + H LYS 60 OK 96 100 - 96 - 4.9=91, 2929/3.0=9...(18) HG3 LYS 60 + H LYS 60 OK 96 100 - 96 - 4.9=91, 2929/3.0=9...(18) HG3 LYS 62 - H LYS 60 OK 10 99 - 10 - HG2 LYS 62 - H LYS 60 OK 10 99 - 10 - HG3 LYS 58 - H LYS 60 lone 6 63 - 10 - 3592/4.6=8 HB3 LEU 41 - H LYS 60 lone 3 100 - 3 - 3.1/4438=1 HG2 LYS 39 - H LYS 60 lone 2 100 - 2 - HB2 LYS 27 - H LYS 60 lone 2 99 - 2 - HG3 LYS 49 - H LYS 60 lone 1 63 - 2 - HG3 ARG 56 - H LYS 60 lone 1 65 - 2 - Peak 803 from nnoeabs.peaks (1.43, 7.98, 123.03 ppm; 4.77 A): 2 out of 10 assignments used, quality = 1.00: * HG3 LYS 60 + H LYS 60 OK 96 100 - 96 - 4.9=91, 2929/3.0=9...(18) HG2 LYS 60 + H LYS 60 OK 96 100 - 96 - 4.9=91, 2929/3.0=9...(18) HG2 LYS 62 - H LYS 60 OK 10 99 - 10 - HG3 LYS 62 - H LYS 60 OK 10 99 - 10 - HG3 LYS 58 - H LYS 60 poor 7 65 - 10 - 3592/4.6=9 HB3 LEU 41 - H LYS 60 lone 3 100 - 3 - 3.1/4438=1 HG2 LYS 39 - H LYS 60 lone 2 100 - 2 - HB2 LYS 27 - H LYS 60 lone 2 98 - 2 - HG3 ARG 56 - H LYS 60 lone 1 68 - 2 - HG3 LYS 49 - H LYS 60 lone 1 60 - 2 - Peak 808 from nnoeabs.peaks (8.17, 8.17, 121.81 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ARG 61 + H ARG 61 OK 100 100 - 100 Peak 809 from nnoeabs.peaks (4.24, 8.17, 121.81 ppm; 3.24 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 61 + H ARG 61 OK 100 100 - 100 - 3.0=100 Peak 810 from nnoeabs.peaks (1.81, 8.17, 121.81 ppm; 3.74 A): 2 out of 9 assignments used, quality = 0.96: * HB2 ARG 61 + H ARG 61 OK 92 100 - 92 - 4.0=80, 1.8/811=34...(11) HB2 LYS 60 + H ARG 61 OK 46 73 - 63 - 4.4=62, 818/4.6=1 HB2 LYS 62 - H ARG 61 lone 9 89 - 10 - 327/4.6=8 HB2 LYS 58 - H ARG 61 lone 3 98 - 3 - 1.8/811=1 HB2 PRO 32 - H ARG 61 lone 2 92 - 2 - HD2 LYS 22 - H ARG 61 lone 2 99 - 2 - HB3 GLN 47 - H ARG 61 lone 1 92 - 1 - HB ILE 17 - H ARG 61 lone 1 65 - 1 - HB3 MET 11 - H ARG 61 lone 1 73 - 1 - Peak 811 from nnoeabs.peaks (1.73, 8.17, 121.81 ppm; 3.66 A): 1 out of 8 assignments used, quality = 0.89: * HB3 ARG 61 + H ARG 61 OK 89 100 - 89 - 4.0=75, 1.8/810=21...(11) HB3 LYS 58 - H ARG 61 lone 3 100 - 3 - 1.8/318=1 HG2 LYS 22 - H ARG 61 lone 2 95 - 2 - HB3 LEU 37 - H ARG 61 lone 2 100 - 2 - HD2 LYS 42 - H ARG 61 lone 2 99 - 2 - HB2 ARG 56 - H ARG 61 lone 1 99 - 1 - HD2 LYS 49 - H ARG 61 lone 1 73 - 1 - HD3 LYS 49 - H ARG 61 lone 1 71 - 1 - Peak 812 from nnoeabs.peaks (1.60, 8.17, 121.81 ppm; 4.00 A): 2 out of 9 assignments used, quality = 0.98: * HG2 ARG 61 + H ARG 61 OK 86 100 - 86 - 4.9=53, 2.9/811=30...(12) HG3 ARG 61 + H ARG 61 OK 86 100 - 86 - 4.9=53, 2.9/811=30...(12) HG3 ARG 34 - H ARG 61 lone 5 97 - 4 - HG3 ARG 21 - H ARG 61 lone 3 99 - 3 - HB3 LEU 43 - H ARG 61 lone 3 99 - 3 - HG2 LYS 49 - H ARG 61 lone 2 71 - 2 - HB2 LEU 41 - H ARG 61 lone 1 81 - 2 - HB3 LEU 64 - H ARG 61 lone 1 81 - 1 - HG LEU 68 - H ARG 61 lone 1 85 - 1 - Peak 813 from nnoeabs.peaks (1.59, 8.17, 121.81 ppm; 4.00 A): 2 out of 9 assignments used, quality = 0.98: * HG3 ARG 61 + H ARG 61 OK 86 100 - 86 - 4.9=53, 2.9/811=30...(12) HG2 ARG 61 + H ARG 61 OK 86 100 - 86 - 4.9=53, 2.9/811=30...(12) HG3 ARG 34 - H ARG 61 lone 5 98 - 4 - HG3 ARG 21 - H ARG 61 lone 3 98 - 3 - HB3 LEU 43 - H ARG 61 lone 3 99 - 3 - HG2 LYS 49 - H ARG 61 lone 2 73 - 2 - HB2 LEU 41 - H ARG 61 lone 1 78 - 2 - HG LEU 68 - H ARG 61 lone 1 83 - 1 - HB3 LEU 64 - H ARG 61 lone 1 78 - 1 - Peak 816 from nnoeabs.peaks (8.30, 8.30, 122.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 62 + H LYS 62 OK 100 100 - 100 Peak 817 from nnoeabs.peaks (4.26, 8.30, 122.70 ppm; 3.10 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 62 + H LYS 62 OK 100 100 - 100 - 2.9=100 Peak 818 from nnoeabs.peaks (1.83, 8.30, 122.70 ppm; 3.77 A): 2 out of 8 assignments used, quality = 0.97: * HB2 LYS 62 + H LYS 62 OK 90 100 - 90 - 4.0=82, 335/4.6=13...(19) HB2 ARG 61 + H LYS 62 OK 69 89 - 78 - 4.6=54, 1.8/328=31...(12) HB2 LYS 60 - H LYS 62 OK 14 99 - 14 - 317/4.6=8, 3.0/820=2, 3.0/820=2 HD2 LYS 22 - H LYS 62 lone 4 98 - 4 - 3.0/328=1, 6.1/58=1 HB2 LYS 58 - H LYS 62 lone 3 68 - 4 - 1.8/328=2 HB ILE 17 - H LYS 62 lone 2 97 - 2 - HB3 MET 11 - H LYS 62 lone 2 99 - 2 - HB3 GLN 47 - H LYS 62 lone 1 100 - 1 - Peak 819 from nnoeabs.peaks (1.77, 8.30, 122.70 ppm; 3.53 A): 2 out of 4 assignments used, quality = 0.83: * HB3 LYS 62 + H LYS 62 OK 80 100 - 80 - 4.0=67, 2.9/821=8...(20) HB3 LYS 60 + H LYS 62 OK 17 100 - 17 - 318/4.6=12, 3.0/820=2, 3.0/820=2 HB2 LYS 58 - H LYS 62 lone 3 65 - 4 - 1.8/328=2 HB2 PRO 32 - H LYS 62 lone 1 81 - 1 - Peak 820 from nnoeabs.peaks (1.43, 8.30, 122.70 ppm; 4.49 A): 2 out of 10 assignments used, quality = 1.00: * HG2 LYS 62 + H LYS 62 OK 93 100 - 93 - 4.9=76, 2.9/819=32...(20) HG3 LYS 62 + H LYS 62 OK 93 100 - 93 - 4.9=76, 2.9/819=32...(20) HG3 LYS 60 - H LYS 62 OK 20 99 - 20 - 3.0/819=7, 3.0/818=3, 2930/2.9=1 HG2 LYS 60 - H LYS 62 OK 20 99 - 20 - 3.0/819=7, 3.0/818=3, 2930/2.9=1 HG3 LYS 58 - H LYS 62 lone 4 81 - 5 - 2.8/328=2, 2.8/819=1 HB3 LEU 41 - H LYS 62 lone 3 99 - 3 - HG3 ARG 56 - H LYS 62 lone 3 83 - 4 - 4.6/1056=1, 3.0/328=1 HG2 LYS 39 - H LYS 62 lone 2 100 - 2 - HB2 LYS 27 - H LYS 62 lone 2 92 - 2 - HB3 LEU 29 - H LYS 62 lone 1 63 - 2 - Peak 821 from nnoeabs.peaks (1.43, 8.30, 122.70 ppm; 4.49 A): 2 out of 10 assignments used, quality = 1.00: HG2 LYS 62 + H LYS 62 OK 93 100 - 93 - 4.9=76, 2.9/819=32...(20) * HG3 LYS 62 + H LYS 62 OK 93 100 - 93 - 4.9=76, 2.9/819=32...(20) HG3 LYS 60 - H LYS 62 OK 20 99 - 20 - 3.0/819=7, 3.0/818=3, 2930/2.9=1 HG2 LYS 60 - H LYS 62 OK 20 99 - 20 - 3.0/819=7, 3.0/818=3, 2930/2.9=1 HG3 LYS 58 - H LYS 62 lone 4 81 - 5 - 2.8/328=2, 2.8/819=1 HB3 LEU 41 - H LYS 62 lone 3 99 - 3 - HG3 ARG 56 - H LYS 62 lone 3 83 - 4 - 4.6/1056=1, 3.0/328=1 HG2 LYS 39 - H LYS 62 lone 2 100 - 2 - HB2 LYS 27 - H LYS 62 lone 2 92 - 2 - HB3 LEU 29 - H LYS 62 lone 1 63 - 2 - Peak 826 from nnoeabs.peaks (8.38, 8.38, 121.72 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLN 63 + H GLN 63 OK 100 100 - 100 Peak 827 from nnoeabs.peaks (4.31, 8.38, 121.72 ppm; 3.90 A): 1 out of 1 assignment used, quality = 1.00: * HA GLN 63 + H GLN 63 OK 100 100 - 100 - 3.0=100 Peak 828 from nnoeabs.peaks (2.08, 8.38, 121.72 ppm; 4.37 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 63 + H GLN 63 OK 100 100 - 100 - 3.9=100 Peak 829 from nnoeabs.peaks (2.00, 8.38, 121.72 ppm; 3.65 A): 1 out of 9 assignments used, quality = 0.86: * HB3 GLN 63 + H GLN 63 OK 86 100 - 86 - 3.9=80, 3.0/830=11...(4) HB2 MET 11 - H GLN 63 lone 2 100 - 2 - HB3 GLU 18 - H GLN 63 lone 1 100 - 1 - HB2 GLU 18 - H GLN 63 lone 1 100 - 1 - HG2 PRO 32 - H GLN 63 lone 1 92 - 1 - HB3 ARG 21 - H GLN 63 lone 1 65 - 1 - HD3 ARG 55 - H GLN 63 lone 1 71 - 1 - HB2 GLN 26 - H GLN 63 lone 1 68 - 1 - HB3 GLN 26 - H GLN 63 lone 1 68 - 1 - Peak 830 from nnoeabs.peaks (2.36, 8.38, 121.72 ppm; 4.15 A): 2 out of 5 assignments used, quality = 0.93: * HG2 GLN 63 + H GLN 63 OK 73 100 - 73 - 5.1=53, 3.0/829=32...(4) HG3 GLN 63 + H GLN 63 OK 73 100 - 73 - 5.1=53, 3.0/829=32...(4) HG3 GLN 53 - H GLN 63 lone 2 97 - 2 - HG2 MET 11 - H GLN 63 lone 2 63 - 3 - HB3 LYS 22 - H GLN 63 lone 1 78 - 2 - Peak 831 from nnoeabs.peaks (2.36, 8.38, 121.72 ppm; 4.15 A): 2 out of 5 assignments used, quality = 0.93: * HG3 GLN 63 + H GLN 63 OK 73 100 - 73 - 5.1=53, 3.0/829=32...(4) HG2 GLN 63 + H GLN 63 OK 73 100 - 73 - 5.1=53, 3.0/829=32...(4) HG3 GLN 53 - H GLN 63 lone 2 99 - 2 - HG2 MET 11 - H GLN 63 lone 2 68 - 3 - HB3 LYS 22 - H GLN 63 lone 1 83 - 2 - Peak 834 from nnoeabs.peaks (8.38, 8.38, 123.55 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 64 + H LEU 64 OK 100 100 - 100 Peak 835 from nnoeabs.peaks (4.37, 8.38, 123.55 ppm; 3.86 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 64 + H LEU 64 OK 100 100 - 100 - 2.9=100 Peak 836 from nnoeabs.peaks (1.66, 8.38, 123.55 ppm; 3.33 A): 2 out of 11 assignments used, quality = 0.89: * HB2 LEU 64 + H LEU 64 OK 83 100 - 83 - 3.8=68, 3.0/3222=15...(10) HG LEU 64 + H LEU 64 OK 36 78 - 46 - 5.1=28, 2.1/3236=10...(7) HB2 LEU 68 - H LEU 64 lone 3 71 - 4 - 3.8/366=1 HG3 LYS 22 - H LEU 64 lone 2 89 - 2 - HB2 LEU 37 - H LEU 64 lone 2 100 - 2 - HD3 LYS 62 - H LEU 64 lone 1 99 - 1 - HD3 LYS 42 - H LEU 64 lone 1 100 - 1 - HD2 LYS 62 - H LEU 64 lone 1 98 - 1 - HD3 LYS 60 - H LEU 64 lone 1 98 - 1 - HD2 LYS 60 - H LEU 64 lone 1 97 - 1 - HB3 GLN 15 - H LEU 64 lone 0 63 - 1 - Peak 837 from nnoeabs.peaks (1.62, 8.38, 123.55 ppm; 3.52 A): 2 out of 11 assignments used, quality = 0.94: * HB3 LEU 64 + H LEU 64 OK 89 100 - 89 - 3.8=80, 3.0/3222=17...(9) HG LEU 64 + H LEU 64 OK 41 78 - 52 - 5.1=33, 2.1/3236=12...(7) HG LEU 68 - H LEU 64 lone 6 100 - 6 - 2.1/3236=1, 2.1/3236=1 HB3 LEU 68 - H LEU 64 lone 5 93 - 5 - 3.8/366=1, 3.1/3236=1 HB2 LEU 68 - H LEU 64 lone 4 85 - 5 - 3.8/366=1, 3.1/3236=1 HB3 LEU 43 - H LEU 64 lone 1 93 - 2 - HG2 ARG 61 - H LEU 64 lone 1 81 - 2 - 4694/4.6=1 HB2 LEU 41 - H LEU 64 lone 1 100 - 1 - HG3 ARG 61 - H LEU 64 lone 1 78 - 2 - 4694/4.6=1 HG3 ARG 21 - H LEU 64 lone 1 95 - 1 - HB3 GLN 15 - H LEU 64 lone 1 90 - 1 - Peak 838 from nnoeabs.peaks (1.64, 8.38, 123.55 ppm; 3.52 A): 3 out of 10 assignments used, quality = 0.96: HB2 LEU 64 + H LEU 64 OK 70 78 - 90 - 3.8=80, 3.0/3222=17...(10) HB3 LEU 64 + H LEU 64 OK 69 78 - 89 - 3.8=80, 3.0/3222=17...(8) * HG LEU 64 + H LEU 64 OK 52 100 - 52 - 5.1=33, 2.1/3236=12...(7) HB2 LEU 68 - H LEU 64 lone 5 100 - 5 - 3.8/366=1, 3.1/3236=1 HB3 LEU 68 - H LEU 64 lone 5 99 - 5 - 3.8/366=1, 3.1/3236=1 HG LEU 68 - H LEU 64 lone 4 73 - 5 - 2.1/3236=1, 2.1/3236=1 HB2 LEU 37 - H LEU 64 lone 1 71 - 1 - HD3 LYS 42 - H LEU 64 lone 1 81 - 1 - HB3 GLN 15 - H LEU 64 lone 1 99 - 1 - HB2 LEU 41 - H LEU 64 lone 1 78 - 1 - Peak 839 from nnoeabs.peaks (0.91, 8.38, 123.55 ppm; 5.53 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 64 + H LEU 64 OK 100 100 - 100 - 4.7=100 Peak 840 from nnoeabs.peaks (0.85, 8.38, 123.55 ppm; 5.86 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 64 + H LEU 64 OK 100 100 - 100 - 4.7=100 Peak 841 from nnoeabs.peaks (8.35, 8.35, 116.28 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H SER 65 + H SER 65 OK 100 100 - 100 Peak 842 from nnoeabs.peaks (4.43, 8.35, 116.28 ppm; 5.09 A): 1 out of 1 assignment used, quality = 1.00: * HA SER 65 + H SER 65 OK 100 100 - 100 - 2.9=100 Peak 843 from nnoeabs.peaks (3.93, 8.35, 116.28 ppm; 4.87 A): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 65 + H SER 65 OK 100 100 - 100 - 3.9=100 Peak 844 from nnoeabs.peaks (3.87, 8.35, 116.28 ppm; 4.88 A): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 65 + H SER 65 OK 100 100 - 100 - 3.9=100 Peak 845 from nnoeabs.peaks (8.28, 8.28, 117.12 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * H SER 66 + H SER 66 OK 100 100 - 100 H ASN 54 - H ASN 54 OK 43 43 - 100 Peak 846 from nnoeabs.peaks (4.45, 8.28, 117.12 ppm; 4.03 A): 2 out of 2 assignments used, quality = 1.00: * HA SER 66 + H SER 66 OK 100 100 - 100 - 3.0=100 HA SER 65 + H SER 66 OK 90 90 - 100 - 3.6=100 Peak 847 from nnoeabs.peaks (3.94, 8.28, 117.12 ppm; 4.78 A): 3 out of 3 assignments used, quality = 1.00: * HB2 SER 66 + H SER 66 OK 100 100 - 100 - 4.0=100 HB2 SER 65 + H SER 66 OK 96 96 - 100 - 4.5=100 HA GLN 53 + H ASN 54 OK 50 50 - 100 - 3.6=100 Peak 848 from nnoeabs.peaks (3.87, 8.28, 117.12 ppm; 4.80 A): 2 out of 2 assignments used, quality = 1.00: * HB3 SER 66 + H SER 66 OK 100 100 - 100 - 4.0=100 HB3 SER 65 + H SER 66 OK 100 100 - 100 - 4.5=100 Peak 849 from nnoeabs.peaks (8.40, 8.40, 122.42 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 67 + H GLU 67 OK 100 100 - 100 Peak 850 from nnoeabs.peaks (4.31, 8.40, 122.42 ppm; 3.85 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 67 + H GLU 67 OK 100 100 - 100 - 3.0=100 Peak 851 from nnoeabs.peaks (2.09, 8.40, 122.42 ppm; 4.40 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 67 + H GLU 67 OK 100 100 - 100 - 4.0=100 Peak 852 from nnoeabs.peaks (1.96, 8.40, 122.42 ppm; 3.79 A): 1 out of 8 assignments used, quality = 0.92: * HB3 GLU 67 + H GLU 67 OK 92 100 - 92 - 4.0=85, 2.8/854=20...(4) HB2 ARG 21 - H GLU 67 lone 6 99 - 6 - 4.0/52=2, 4.5/959=2 HB3 ARG 21 - H GLU 67 lone 6 97 - 6 - 4.0/52=2, 4.5/959=2 HD3 LYS 22 - H GLU 67 lone 2 100 - 2 - 6.1/959=1 HB ILE 50 - H GLU 67 lone 2 76 - 3 - 3543/4.7=2 HB2 ARG 34 - H GLU 67 lone 2 81 - 2 - HG2 PRO 32 - H GLU 67 lone 1 78 - 1 - HD3 ARG 55 - H GLU 67 lone 1 96 - 1 - Peak 853 from nnoeabs.peaks (2.28, 8.40, 122.42 ppm; 4.61 A): 1 out of 6 assignments used, quality = 0.89: * HG2 GLU 67 + H GLU 67 OK 89 100 - 89 - 4.9=83, 2.8/852=33 HG2 GLU 18 - H GLU 67 lone 10 100 - 9 - 3.9/3691=4, 4.9/942=2 HG2 GLN 26 - H GLU 67 lone 2 99 - 2 - HG3 GLN 26 - H GLU 67 lone 2 98 - 2 - HG2 GLN 15 - H GLU 67 lone 1 87 - 2 - HB3 PRO 32 - H GLU 67 lone 1 63 - 2 - Peak 854 from nnoeabs.peaks (2.25, 8.40, 122.42 ppm; 4.85 A): 1 out of 3 assignments used, quality = 0.98: * HG3 GLU 67 + H GLU 67 OK 98 100 - 98 - 4.9=96, 2.8/852=35 HB3 GLN 53 - H GLU 67 lone 3 65 - 4 - 3563/4.7=1 HG3 GLU 33 - H GLU 67 lone 2 96 - 2 - Peak 855 from nnoeabs.peaks (8.14, 8.14, 122.19 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 68 + H LEU 68 OK 100 100 - 100 Peak 856 from nnoeabs.peaks (4.36, 8.14, 122.19 ppm; 4.07 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 68 + H LEU 68 OK 100 100 - 100 - 3.0=100 Peak 857 from nnoeabs.peaks (1.64, 8.14, 122.19 ppm; 3.46 A): 2 out of 10 assignments used, quality = 0.95: * HB2 LEU 68 + H LEU 68 OK 79 100 - 79 - 3.8=76, ~3326=3, ~3333=2...(5) HB3 LEU 68 + H LEU 68 OK 78 100 - 79 - 3.8=76, ~3326=3, ~3333=2...(5) HG LEU 68 - H LEU 68 OK 36 81 - 45 - 4.9=36, ~3326=4, ~3333=4...(5) HG LEU 64 - H LEU 68 lone 2 100 - 2 - 5.1/366=1 HB3 LEU 64 - H LEU 68 lone 2 85 - 2 - 3.8/366=1 HB2 LEU 64 - H LEU 68 lone 2 71 - 2 - 3.8/366=1 HB2 LEU 37 - H LEU 68 lone 1 63 - 2 - HB2 LEU 41 - H LEU 68 lone 1 85 - 1 - HB3 GLN 15 - H LEU 68 lone 1 100 - 1 - HD3 LYS 42 - H LEU 68 lone 1 73 - 1 - Peak 858 from nnoeabs.peaks (1.63, 8.14, 122.19 ppm; 3.46 A): 2 out of 10 assignments used, quality = 0.95: * HB3 LEU 68 + H LEU 68 OK 79 100 - 79 - 3.8=76, ~3326=3, ~3333=2...(5) HB2 LEU 68 + H LEU 68 OK 78 100 - 79 - 3.8=76, ~3326=3, ~3333=2...(5) HG LEU 68 - H LEU 68 OK 41 90 - 45 - 4.9=36, ~3326=4, ~3333=4...(5) HB3 LEU 64 - H LEU 68 lone 2 93 - 2 - 3.8/366=1 HG LEU 64 - H LEU 68 lone 2 99 - 2 - 5.1/366=1 HG3 ARG 21 - H LEU 68 lone 2 65 - 3 - 3.9/3713=1 HB2 LEU 41 - H LEU 68 lone 1 93 - 1 - HB3 GLN 15 - H LEU 68 lone 1 100 - 1 - HB3 LEU 43 - H LEU 68 lone 0 63 - 1 - HD3 LYS 42 - H LEU 68 lone 0 60 - 1 - Peak 859 from nnoeabs.peaks (1.61, 8.14, 122.19 ppm; 3.79 A): 2 out of 2 assignments used, quality = 0.98: HB3 LEU 68 + H LEU 68 OK 90 90 - 100 - 3.8=100 HB2 LEU 68 + H LEU 68 OK 81 81 - 100 - 3.8=100 Reference assignment not found: HG LEU 68 - H LEU 68 Peak 862 from nnoeabs.peaks (7.90, 7.90, 115.34 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLY 69 + H GLY 69 OK 100 100 - 100 Peak 863 from nnoeabs.peaks (3.75, 7.90, 115.34 ppm; 3.64 A): 2 out of 2 assignments used, quality = 1.00: * HA2 GLY 69 + H GLY 69 OK 100 100 - 100 - 3.0=100 HA3 GLY 69 + H GLY 69 OK 100 100 - 100 - 3.0=100 Peak 864 from nnoeabs.peaks (3.75, 7.90, 115.34 ppm; 3.64 A): 2 out of 2 assignments used, quality = 1.00: * HA3 GLY 69 + H GLY 69 OK 100 100 - 100 - 3.0=100 HA2 GLY 69 + H GLY 69 OK 100 100 - 100 - 3.0=100 Peak 866 from nnoeabs.peaks (7.51, 7.92, 111.33 ppm; 3.59 A): 1 out of 6 assignments used, quality = 0.76: * H GLN 15 + H THR 14 OK 76 100 - 76 - 4.6=47, 4.0/505=20...(9) QE PHE 52 - H THR 14 lone 2 78 - 3 - HD21 ASN 54 - H THR 14 lone 2 83 - 3 - H TYR 28 - H THR 14 lone 2 100 - 2 - HE22 GLN 53 - H THR 14 lone 1 100 - 1 - HE21 GLN 63 - H THR 14 lone 1 71 - 1 - Peak 867 from nnoeabs.peaks (7.83, 7.51, 120.36 ppm; 3.50 A): 1 out of 1 assignment used, quality = 0.82: * H VAL 16 + H GLN 15 OK 82 100 - 82 - 4.6=43, 3361/4.0=16...(12) Peak 868 from nnoeabs.peaks (8.01, 7.83, 117.36 ppm; 3.40 A): 3 out of 7 assignments used, quality = 0.88: * H ILE 17 + H VAL 16 OK 83 100 - 83 - 4.5=43, 4.3/1194=18...(11) H LEU 19 + H VAL 16 OK 21 68 - 31 - 4.7/932=8, 945/3.0=6...(9) H LYS 22 + H VAL 16 OK 10 83 - 12 - 3368/4.0=2, 3366/3.9=2...(7) H HIS 36 - H VAL 16 poor 9 83 - 11 - 27=3, 3366/3.9=1, 3676/3.6=1 H ASN 40 - H VAL 16 lone 6 99 - 6 - 3.0/930=1, 3366/3.9=1 H GLN 53 - H VAL 16 lone 2 73 - 2 - H LYS 60 - H VAL 16 lone 1 65 - 2 - Peak 869 from nnoeabs.peaks (7.55, 8.01, 118.34 ppm; 3.37 A): 3 out of 8 assignments used, quality = 0.81: * H GLU 18 + H ILE 17 OK 72 100 - 73 - 4.6=39, 4.3/522=15...(13) H TYR 57 + H ILE 17 OK 22 96 - 23 - 32=5, 3370/4.0=4...(8) QE PHE 52 + H ILE 17 OK 13 76 - 17 - 4042/3.6=3, 4731/4.3=3...(7) H GLU 18 - H HIS 36 lone 5 57 - 9 - 32=2, 4.3/522=1, 4.5/1211=1 HE21 GLN 63 - H ILE 17 lone 5 83 - 6 - H TYR 57 - H HIS 36 lone 2 50 - 3 - QE PHE 52 - H HIS 36 lone 1 36 - 2 - HE21 GLN 63 - H HIS 36 lone 0 40 - 1 - Peak 870 from nnoeabs.peaks (7.98, 7.55, 119.23 ppm; 3.51 A): 4 out of 8 assignments used, quality = 0.90: * H LEU 19 + H GLU 18 OK 74 100 - 74 - 4.7=43, 943/3.6=19...(15) H ILE 17 + H GLU 18 OK 51 68 - 75 - 4.6=44, 4.0/3370=13...(16) H ILE 17 + H TYR 57 OK 11 45 - 25 - 869=5, 4.0/3370=4...(8) H HIS 36 + H GLU 18 OK 10 99 - 10 - 3378/4.9=2, 869=1 H LEU 19 - H TYR 57 poor 9 76 - 12 - 39=5, 4.6/949=2 H LYS 60 - H GLU 18 lone 3 100 - 3 - H HIS 36 - H TYR 57 lone 3 74 - 4 - H LYS 60 - H TYR 57 lone 2 76 - 2 - 4.6/287=1 Peak 871 from nnoeabs.peaks (8.41, 7.98, 124.25 ppm; 3.46 A): 1 out of 4 assignments used, quality = 0.80: * H GLU 20 + H LEU 19 OK 80 100 - 80 - 4.6=42, 48/4.0=15...(13) H GLU 67 - H LEU 19 lone 6 97 - 6 - 3691/3.6=2, 942/4.7=1 H ALA 38 - H LEU 19 lone 5 65 - 8 - 3384/4.7=2, 4.6/150=1 H LEU 64 - H LEU 19 lone 2 71 - 3 - Peak 872 from nnoeabs.peaks (8.31, 8.41, 118.68 ppm; 3.79 A): 2 out of 4 assignments used, quality = 0.89: * H ARG 21 + H GLU 20 OK 87 100 - 87 - 4.6=55, 4.1/541=19...(16) H ASN 54 + H GLU 20 OK 15 89 - 16 - 4.6/952=3, 4.4/541=3...(7) H LEU 43 - H GLU 20 poor 9 89 - 10 - 947/4.6=2, 683/4.8=2 H LYS 62 - H GLU 20 lone 4 97 - 4 - Peak 873 from nnoeabs.peaks (8.03, 8.31, 121.06 ppm; 3.39 A): 4 out of 6 assignments used, quality = 0.87: * H LYS 22 + H ARG 21 OK 66 100 - 66 - 4.6=41, 958/3.6=7...(12) H ILE 17 + H ARG 21 OK 42 83 - 51 - 3.0/956=18, 4.6/4134=9...(13) H GLN 53 + H ARG 21 OK 22 100 - 22 - 903=6, 750/4.1=3...(7) H ASN 40 + H ARG 21 OK 12 96 - 12 - 1005/2.9=2, 3394/4.7=1...(4) H LEU 41 - H ARG 21 poor 9 65 - 14 - 4.6/892=3, 4.0/550=2...(6) H GLN 47 - H ARG 21 poor 8 78 - 10 - 217/2.9=1 Peak 874 from nnoeabs.peaks (8.99, 8.03, 120.92 ppm; 3.68 A): 1 out of 2 assignments used, quality = 0.71: * H PHE 23 + H LYS 22 OK 71 100 - 72 - 4.6=50, 69/4.0=15...(8) H SER 30 - H LYS 22 lone 4 90 - 5 - 121/4255=2, 4.0/958=1 Peak 875 from nnoeabs.peaks (8.13, 8.99, 121.58 ppm; 4.20 A): 2 out of 5 assignments used, quality = 0.93: * H SER 24 + H PHE 23 OK 91 100 - 91 - 4.6=75, 78/4.0=23...(7) H THR 46 + H PHE 23 OK 23 92 - 25 - 962/4.6=6, 4799/3.0=6...(8) H LYS 27 - H PHE 23 OK 20 99 - 20 - 4632/4.6=7, 3408/4.0=6...(4) H ALA 35 - H PHE 23 OK 15 73 - 20 - 4.3/4829=7, 4.6/4828=6...(4) H LEU 68 - H PHE 23 lone 7 92 - 7 - 962/4.6=3, 3408/4.0=1 Peak 876 from nnoeabs.peaks (7.63, 8.13, 111.74 ppm; 3.92 A): 2 out of 2 assignments used, quality = 0.79: * H HIS 25 + H SER 24 OK 76 100 - 76 - 4.5=65, 4.4/572=12...(6) HE22 GLN 26 + H SER 24 OK 15 97 - 16 - 6.8/878=3, 4861/4.6=2...(8) Peak 877 from nnoeabs.peaks (8.51, 7.63, 118.44 ppm; 3.45 A): 1 out of 2 assignments used, quality = 0.67: * H GLN 26 + H HIS 25 OK 67 100 - 67 - 4.6=41, 89/3.9=18...(9) H LEU 29 - H HIS 25 lone 6 100 - 5 - 4.8/4251=2, 4.5/4257=2 Peak 878 from nnoeabs.peaks (8.12, 8.51, 121.11 ppm; 4.50 A): 2 out of 4 assignments used, quality = 0.99: * H LYS 27 + H GLN 26 OK 97 100 - 97 - 4.6=91, 92/2.9=46...(7) H SER 24 + H GLN 26 OK 59 99 - 59 - 3.6/4186=33, 4.5/877=27...(8) H THR 46 - H GLN 26 lone 4 78 - 5 - 82/4.6=1 H LEU 68 - H GLN 26 lone 3 78 - 4 - 82/4.6=1 Peak 879 from nnoeabs.peaks (7.50, 8.12, 119.98 ppm; 3.30 A): 2 out of 6 assignments used, quality = 0.75: * H TYR 28 + H LYS 27 OK 70 100 - 71 - 4.6=36, 4.1/589=14...(10) QE PHE 52 + H LYS 27 OK 17 68 - 25 - 4702/3.0=10, ~4200=7...(8) H GLN 15 - H LYS 27 lone 6 100 - 6 - 510/4.9=1, 510/4.9=1 HD21 ASN 54 - H LYS 27 lone 4 90 - 4 - 99=1 HE22 GLN 53 - H LYS 27 lone 1 100 - 1 - HE21 GLN 63 - H LYS 27 lone 1 60 - 1 - Peak 883 from nnoeabs.peaks (8.73, 7.21, 117.78 ppm; 3.55 A): 1 out of 1 assignment used, quality = 0.84: * H ARG 34 + H GLU 33 OK 84 100 - 84 - 133=50, 3455/4.0=18...(12) Peak 884 from nnoeabs.peaks (8.15, 8.73, 121.67 ppm; 3.20 A): 2 out of 5 assignments used, quality = 0.84: * H ALA 35 + H ARG 34 OK 81 100 - 82 - 139=50, 4.3/1863=15...(15) H THR 46 + H ARG 34 OK 14 98 - 14 - 3460/3.9=3, 3461/3.9=3...(5) H LEU 68 - H ARG 34 lone 6 98 - 6 - 974/4.7=1 H SER 24 - H ARG 34 lone 6 73 - 8 - 4.6/4828=3 H ARG 61 - H ARG 34 lone 4 81 - 4 - Peak 885 from nnoeabs.peaks (7.99, 8.15, 120.97 ppm; 3.35 A): 1 out of 5 assignments used, quality = 0.69: * H HIS 36 + H ALA 35 OK 69 100 - 69 - 4.6=38, 149/2.9=25...(8) H ILE 17 - H ALA 35 poor 10 83 - 12 - 147=4, 3467/2.9=2...(4) H ASN 40 - H ALA 35 poor 10 63 - 15 - 3.6/3731=3, 3.0/980=3...(6) H LEU 19 - H ALA 35 lone 9 99 - 9 - 946/3.6=2, 3467/2.9=2...(4) H LYS 60 - H ALA 35 lone 2 99 - 2 - Peak 886 from nnoeabs.peaks (8.07, 7.99, 118.30 ppm; 2.92 A): 2 out of 8 assignments used, quality = 0.55: * H LEU 37 + H HIS 36 OK 50 100 - 50 - 4.7=25, 152/4.0=7...(8) H LEU 41 + H HIS 36 OK 11 97 - 11 - 4441/3.6=2, 3.6/986=2...(5) H GLN 47 - H HIS 36 lone 6 92 - 7 - 3745/3.6=2, 215/4.6=1 H LEU 37 - H ILE 17 lone 3 57 - 6 - 150=2 H LEU 41 - H ILE 17 lone 3 52 - 5 - 175=2 H ARG 55 - H HIS 36 lone 2 99 - 2 - H GLN 47 - H ILE 17 lone 1 47 - 2 - H ARG 55 - H ILE 17 lone 0 54 - 1 - Peak 887 from nnoeabs.peaks (8.44, 8.07, 120.69 ppm; 3.16 A): 1 out of 2 assignments used, quality = 0.76: * H ALA 38 + H LEU 37 OK 76 100 - 77 - 4.6=32, 3474/4.0=12...(17) H GLU 20 - H LEU 37 poor 10 65 - 15 - 3477/4.5=2, 3476/4.5=2...(6) Peak 888 from nnoeabs.peaks (7.67, 8.44, 119.33 ppm; 3.19 A): 3 out of 5 assignments used, quality = 0.84: * H LYS 39 + H ALA 38 OK 75 100 - 75 - 162=47, 3.6/1982=21...(13) H VAL 48 + H ALA 38 OK 24 98 - 24 - 3479/2.9=6, 4.0/161=6...(8) H LYS 58 + H ALA 38 OK 13 100 - 13 - 3479/2.9=2, 992/4.6=1...(5) HE22 GLN 47 - H ALA 38 lone 9 99 - 9 - 3479/2.9=2, 3757/3.6=1...(5) HE22 GLN 26 - H ALA 38 lone 1 60 - 1 - Peak 889 from nnoeabs.peaks (8.02, 7.67, 116.42 ppm; 3.15 A): 3 out of 5 assignments used, quality = 0.81: * H ASN 40 + H LYS 39 OK 72 100 - 72 - 4.7=31, 166/3.0=11...(17) H HIS 36 + H LYS 39 OK 22 63 - 35 - 3.0/3751=11, 3.6/3749=7...(10) H LYS 22 + H LYS 39 OK 13 96 - 13 - 3764/3.6=2, 959/4.5=2...(4) H ILE 17 - H LYS 39 lone 5 99 - 5 - H GLN 53 - H LYS 39 lone 5 90 - 5 - Peak 890 from nnoeabs.peaks (8.06, 8.02, 117.69 ppm; 2.40 A): 2 out of 6 assignments used, quality = 0.67: * H LEU 41 + H ASN 40 OK 51 100 - 52 - 175=26, 4.2/660=8...(11) H LEU 37 + H ASN 40 OK 31 97 - 32 - 3.0/3758=6, 4.6/1004=4...(11) H GLN 47 - H ASN 40 lone 9 100 - 9 - 1002/4.7=1, 4.6/165=1 H LYS 22 - H ASN 40 lone 4 65 - 6 - H GLN 53 - H ASN 40 lone 2 76 - 3 - H ARG 55 - H ASN 40 lone 2 87 - 2 - Peak 891 from nnoeabs.peaks (7.90, 8.06, 116.05 ppm; 3.42 A): 1 out of 3 assignments used, quality = 0.72: * H LYS 42 + H LEU 41 OK 72 100 - 72 - 4.6=41, 4.4/4434=10...(10) H THR 14 - H LEU 41 lone 4 95 - 5 - 3496/4.8=3 H GLY 69 - H LEU 41 lone 2 100 - 2 - Peak 892 from nnoeabs.peaks (8.33, 7.90, 117.73 ppm; 3.21 A): 2 out of 4 assignments used, quality = 0.78: * H LEU 43 + H LYS 42 OK 73 100 - 73 - 188=47, 189/3.0=21...(12) H ARG 21 + H LYS 42 OK 18 89 - 20 - 3498/3.0=4, 2.9/4466=4...(9) H LYS 62 - H LYS 42 lone 3 65 - 5 - H SER 65 - H LYS 42 lone 2 68 - 3 - Peak 893 from nnoeabs.peaks (8.84, 8.33, 119.56 ppm; 4.82 A): 1 out of 1 assignment used, quality = 1.00: * H THR 44 + H LEU 43 OK 100 100 - 100 - 4.5=100 Peak 895 from nnoeabs.peaks (8.14, 9.24, 121.30 ppm; 4.17 A): 2 out of 6 assignments used, quality = 0.94: * H THR 46 + H GLU 45 OK 92 100 - 92 - 4.6=74, 4531/3.6=25...(8) H ALA 35 + H GLU 45 OK 31 98 - 32 - 3520/4.7=8, 3519/4.7=7...(8) H SER 24 - H GLU 45 lone 5 92 - 5 - 3519/4.7=1, 3.6/207=1 H LYS 27 - H GLU 45 lone 4 78 - 4 - 6.1/4510=1 H LEU 68 - H GLU 45 lone 3 100 - 3 - H ARG 61 - H GLU 45 lone 1 57 - 2 - Peak 896 from nnoeabs.peaks (8.05, 8.14, 115.25 ppm; 3.51 A): 3 out of 6 assignments used, quality = 0.78: * H GLN 47 + H THR 46 OK 70 100 - 70 - 4.6=44, 4.5/2313=14...(8) H LYS 22 + H THR 46 OK 16 78 - 21 - 962=6, 3.6/3713=3...(6) H LEU 37 + H THR 46 OK 12 92 - 13 - 989=6, 3.0/700=2...(4) H LEU 41 - H THR 46 lone 6 100 - 6 - 3522/4.0=2 H GLN 53 - H THR 46 lone 1 87 - 1 - H ARG 55 - H THR 46 lone 1 76 - 1 - Peak 897 from nnoeabs.peaks (7.68, 8.05, 120.26 ppm; 3.34 A): 3 out of 4 assignments used, quality = 0.94: * H VAL 48 + H GLN 47 OK 77 100 - 77 - 4.6=39, 221/4.0=16...(13) HE22 GLN 47 + H GLN 47 OK 63 90 - 70 - 3.4/706=25, 4.6/704=16...(11) H LYS 39 + H GLN 47 OK 33 98 - 33 - 1002=10, 3.6/4395=4...(12) H LYS 58 - H GLN 47 lone 4 100 - 4 - Peak 898 from nnoeabs.peaks (8.54, 7.68, 118.72 ppm; 3.49 A): 1 out of 1 assignment used, quality = 0.78: * H LYS 49 + H VAL 48 OK 78 100 - 78 - 4.6=44, 3530/3.8=20...(8) Peak 899 from nnoeabs.peaks (8.69, 8.54, 121.11 ppm; 3.74 A): 1 out of 1 assignment used, quality = 0.85: * H ILE 50 + H LYS 49 OK 85 100 - 85 - 4.5=57, 4.4/2401=21...(11) Peak 900 from nnoeabs.peaks (8.27, 8.69, 119.98 ppm; 3.68 A): 3 out of 3 assignments used, quality = 0.89: * H TRP 51 + H ILE 50 OK 84 100 - 84 - 242=50, 4.4/2478=20...(10) H ASN 54 + H ILE 50 OK 18 60 - 30 - 4.4/234=6, 3.6/1027=6...(10) H SER 66 + H ILE 50 OK 14 92 - 15 - 3543/3.9=3, 3544/4.0=3...(6) Peak 901 from nnoeabs.peaks (8.94, 8.27, 121.67 ppm; 3.69 A): 1 out of 1 assignment used, quality = 0.83: * H PHE 52 + H TRP 51 OK 83 100 - 83 - 4.6=51, 4.3/2533=17...(10) Peak 902 from nnoeabs.peaks (8.03, 8.94, 119.28 ppm; 3.75 A): 2 out of 6 assignments used, quality = 0.86: * H GLN 53 + H PHE 52 OK 85 100 - 85 - 4.6=56, 4.5/2605=18...(11) H LYS 22 + H PHE 52 OK 11 100 - 11 - 1034/4.6=2, 2.9/1037=2...(6) H GLN 47 - H PHE 52 lone 8 87 - 10 - 1034/4.6=3, 3803/3802=2...(4) H ILE 17 - H PHE 52 lone 7 73 - 10 - 4.3/4632=4, 4.6/4758=2 H LEU 41 - H PHE 52 lone 7 76 - 9 - 3.0/1037=2, 3558/4.1=1...(4) H ASN 40 - H PHE 52 lone 5 90 - 6 - Peak 903 from nnoeabs.peaks (8.29, 8.03, 118.15 ppm; 3.29 A): 3 out of 5 assignments used, quality = 0.83: * H ASN 54 + H GLN 53 OK 72 100 - 72 - 4.6=36, 268/4.0=14...(13) H TRP 51 + H GLN 53 OK 26 60 - 44 - 4.6/259=14, 2.9/1040=9...(12) H ARG 21 + H GLN 53 OK 18 89 - 20 - 873=5, 4.1/750=2...(7) H SER 66 - H GLN 53 lone 8 93 - 9 - 265=2, 3563/4.0=1 H LYS 62 - H GLN 53 lone 3 99 - 3 - Peak 904 from nnoeabs.peaks (8.07, 8.29, 117.45 ppm; 3.33 A): 2 out of 8 assignments used, quality = 0.67: * H ARG 55 + H ASN 54 OK 63 100 - 63 - 4.6=37, 276/4.1=16...(7) H LEU 37 + H ASN 54 OK 11 99 - 11 - 4.5/4657=3, 3823/3.6=2...(4) H GLN 47 - H ASN 54 lone 6 76 - 8 - 3823/3.6=2, 4541/4.4=1 H LEU 41 - H ASN 54 lone 6 87 - 7 - 3823/3.6=2, 175/4.6=1 H ARG 55 - H SER 66 lone 4 51 - 7 - 273=3, 4.6/2675=1, 4.6/2669=1 H GLN 47 - H SER 66 lone 1 32 - 2 - H LEU 37 - H SER 66 lone 1 48 - 1 - H LEU 41 - H SER 66 lone 0 38 - 1 - Peak 905 from nnoeabs.peaks (7.75, 8.07, 122.80 ppm; 3.65 A): 2 out of 3 assignments used, quality = 0.76: * H ARG 56 + H ARG 55 OK 67 100 - 68 - 4.5=53, 4.7/764=15...(5) QD PHE 52 + H ARG 55 OK 25 100 - 25 - 3.7/3817=16, 4729/3815=3...(5) H THR 59 - H ARG 55 lone 1 78 - 1 - Peak 906 from nnoeabs.peaks (7.56, 7.75, 117.78 ppm; 3.74 A): 1 out of 2 assignments used, quality = 0.71: * H TYR 57 + H ARG 56 OK 71 100 - 71 - 4.6=54, 4.6/773=16...(7) H GLU 18 - H ARG 56 lone 10 96 - 10 - 287=4 Peak 907 from nnoeabs.peaks (7.68, 7.56, 119.05 ppm; 3.64 A): 2 out of 8 assignments used, quality = 0.81: * H LYS 58 + H TYR 57 OK 78 100 - 78 - 4.5=52, 297/4.0=16...(11) H LYS 58 + H GLU 18 OK 13 76 - 16 - 295=7, 4.7/2799=3...(4) H LYS 39 - H TYR 57 lone 7 100 - 7 - 3843/3.6=3, 1059/4.6=2 H VAL 48 - H TYR 57 lone 6 100 - 6 - 1059/4.6=2, 3843/3.6=2 HE22 GLN 47 - H TYR 57 lone 4 96 - 4 - 1059/4.6=1, 3843/3.6=1 H LYS 39 - H GLU 18 lone 2 75 - 3 - HE22 GLN 47 - H GLU 18 lone 2 69 - 3 - 3.4/1270=1 H VAL 48 - H GLU 18 lone 2 75 - 2 - Peak 908 from nnoeabs.peaks (7.72, 7.68, 119.80 ppm; 2.95 A): 2 out of 3 assignments used, quality = 0.67: * H THR 59 + H LYS 58 OK 55 100 - 55 - 4.6=26, 302/3.0=17...(7) H ARG 56 + H LYS 58 OK 27 78 - 34 - 3.6/1066=10, 4.6/295=9...(8) QD PHE 52 - H LYS 58 lone 1 78 - 1 - Peak 909 from nnoeabs.peaks (7.98, 7.72, 113.00 ppm; 4.59 A): 1 out of 4 assignments used, quality = 0.98: * H LYS 60 + H THR 59 OK 98 100 - 98 - 4.6=97, 4.1/797=30, 3.8/303=4 H LEU 19 - H THR 59 lone 3 100 - 3 - 4.7/4098=1 H HIS 36 - H THR 59 lone 2 99 - 2 - H ILE 17 - H THR 59 lone 2 65 - 3 - Peak 910 from nnoeabs.peaks (8.17, 7.98, 123.03 ppm; 4.74 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 61 + H LYS 60 OK 100 100 - 100 - 4.6=100 Peak 912 from nnoeabs.peaks (8.38, 8.30, 122.70 ppm; 6.00 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 63 + H LYS 62 OK 100 100 - 100 - 4.6=100 Peak 913 from nnoeabs.peaks (8.38, 8.38, 121.72 ppm; diagonal): 1 out of 1 assignment used, quality = 0.98: H GLN 63 + H GLN 63 OK 98 98 - 100 Reference assignment not found: H LEU 64 - H GLN 63 Peak 914 from nnoeabs.peaks (8.35, 8.38, 123.55 ppm; 2.73 A): 2 out of 3 assignments used, quality = 0.57: * H SER 65 + H LEU 64 OK 36 100 - 36 - 351=21, 4.4/836=6...(6) H GLN 63 + H LEU 64 OK 33 81 - 41 - 4.6=20, 3.0/344=17...(5) H LEU 43 - H LEU 64 lone 1 68 - 2 - Peak 917 from nnoeabs.peaks (8.14, 8.40, 122.42 ppm; 4.42 A): 1 out of 6 assignments used, quality = 0.95: * H LEU 68 + H GLU 67 OK 95 100 - 95 - 4.6=86, 367/3.0=37...(6) H ALA 35 - H GLU 67 lone 4 98 - 4 - 3644/4.0=1 H THR 46 - H GLU 67 lone 3 100 - 3 - H SER 24 - H GLU 67 lone 2 92 - 2 - H LYS 27 - H GLU 67 lone 2 78 - 3 - H ARG 61 - H GLU 67 lone 1 57 - 1 - Peak 918 from nnoeabs.peaks (7.90, 8.14, 122.19 ppm; 4.81 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 69 + H LEU 68 OK 100 100 - 100 - 4.6=100 Peak 920 from nnoeabs.peaks (7.51, 999.00, 999.00 ppm; 6.00 A): 0 out of 0 assignments used, low quality = 0.00: Peak 923 from nnoeabs.peaks (7.83, 7.92, 111.33 ppm; 4.57 A): 1 out of 1 assignment used, quality = 0.78: * H VAL 16 + H THR 14 OK 78 100 - 78 - 929=43, 3661/3.6=30...(7) Peak 924 from nnoeabs.peaks (4.38, 7.51, 120.36 ppm; 4.78 A): 5 out of 8 assignments used, quality = 0.91: HB2 SER 12 + H GLN 15 OK 64 100 - 64 - 3.9/4012=27, 1.8/4803=22...(6) * HA HIS 13 + H GLN 15 OK 61 100 - 61 - 3.6/866=35, 3661/4.6=26...(6) HA PRO 32 + H GLN 15 OK 20 99 - 19 - 3.8/4018=3, 2.3/510=3...(7) HA LEU 68 + H GLN 15 OK 11 96 - 11 - 3.6/15=2, 930/4.6=2...(4) HA LYS 22 + H GLN 15 OK 11 73 - 14 - 3.7/4143=3, 3.0/4018=3...(4) HA ASN 40 - H GLN 15 lone 10 100 - 10 - 3.0/927=2, 930/4.6=2...(4) HA LEU 64 - H GLN 15 lone 7 100 - 6 - 930/4.6=1 HA ASN 54 - H GLN 15 lone 6 83 - 7 - 930/4.6=1, ~1048=1, 3.0/760=1 Peak 927 from nnoeabs.peaks (8.01, 7.51, 120.36 ppm; 5.03 A): 5 out of 7 assignments used, quality = 0.92: * H ILE 17 + H GLN 15 OK 83 100 - 83 - 4.5/867=35, 934=31...(8) H LEU 19 + H GLN 15 OK 27 68 - 40 - 3676/3.0=11, 4.3/4017=6...(11) H LYS 22 + H GLN 15 OK 16 83 - 19 - 4.0/4018=3, 868/4.6=3...(6) H HIS 36 + H GLN 15 OK 13 83 - 16 - 3676/3.0=3, 934=3...(4) H ASN 40 + H GLN 15 OK 12 99 - 12 - 3666/3.6=3, 3.0/924=2...(5) H GLN 53 - H GLN 15 lone 6 73 - 8 - ~4649=2 H LYS 60 - H GLN 15 lone 2 65 - 4 - Peak 928 from nnoeabs.peaks (3.81, 7.83, 117.36 ppm; 4.17 A): 1 out of 1 assignment used, quality = 0.85: HA GLN 15 + H VAL 16 OK 85 85 - 100 - 3.6=100 Reference assignment not found: HA THR 14 - H VAL 16 Peak 929 from nnoeabs.peaks (7.92, 7.83, 117.36 ppm; 4.07 A): 1 out of 3 assignments used, quality = 0.69: * H THR 14 + H VAL 16 OK 69 100 - 69 - 923=35, 3.6/3661=24...(7) H LYS 42 - H VAL 16 lone 6 95 - 6 - 15/4.6=2, 4.6/22=2 H GLY 69 - H VAL 16 lone 6 89 - 6 - 3.6/930=2, 15/4.6=1...(4) Peak 930 from nnoeabs.peaks (4.38, 7.83, 117.36 ppm; 4.24 A): 6 out of 8 assignments used, quality = 0.93: * HA HIS 13 + H VAL 16 OK 82 100 - 82 - 3661=46, 3662/3.9=25...(7) HB2 SER 12 + H VAL 16 OK 28 100 - 28 - 4804/4.7=7, 4741/923=7...(8) HA PRO 32 + H VAL 16 OK 17 99 - 17 - 2.3/23=2, 3663/3.9=2...(8) HA ASN 40 + H VAL 16 OK 13 100 - 13 - 3663/3.9=3, 936/4.5=2...(5) HA LEU 68 + H VAL 16 OK 13 96 - 13 - 3.6/929=2, 3.0/22=2...(7) HA LYS 22 + H VAL 16 OK 13 73 - 17 - 2.9/868=3, 4052/4.0=2...(8) HA LEU 64 - H VAL 16 lone 9 100 - 8 - 3663/3.9=1, 4052/4.0=1 HA ASN 54 - H VAL 16 lone 7 83 - 8 - 3663/3.9=1, 4052/4.0=1 Peak 932 from nnoeabs.peaks (7.55, 7.83, 117.36 ppm; 4.35 A): 3 out of 4 assignments used, quality = 0.72: * H GLU 18 + H VAL 16 OK 61 100 - 62 - 4.6/27=24, 3671/3.6=18...(11) H TYR 57 + H VAL 16 OK 15 96 - 16 - 869/4.5=5, 3671/3.6=4...(5) QE PHE 52 + H VAL 16 OK 15 76 - 19 - 4042/3.0=6, 4731/4.0=6...(4) HE21 GLN 63 - H VAL 16 lone 7 83 - 8 - 4042/3.0=2, 3671/3.6=2 Peak 933 from nnoeabs.peaks (3.79, 8.01, 118.34 ppm; 3.70 A): 5 out of 10 assignments used, quality = 0.90: * HA GLN 15 + H ILE 17 OK 60 100 - 60 - 3.6/27=23, 3.0/934=15...(11) HA THR 14 + H ILE 17 OK 54 85 - 64 - 3666=16, 4003/4.0=13...(8) HA ARG 34 + H HIS 36 OK 23 56 - 42 - 3.6/885=14, 4.8/3467=11...(6) HA ARG 34 + H ILE 17 OK 16 100 - 16 - 940/4.6=2, 3.6/885=2...(8) HD3 PRO 32 + H ILE 17 OK 13 99 - 13 - 4075/4.0=2, 3668/4.0=2...(7) HA ILE 50 - H ILE 17 lone 7 83 - 8 - 2477/4.0=2, 4.2/522=1 HA GLN 15 - H HIS 36 lone 6 57 - 10 - 990/4.7=2, 3.6/868=2...(4) HD3 PRO 32 - H HIS 36 lone 4 55 - 7 - 990/4.7=3, 3.6/936=2 HA THR 14 - H HIS 36 lone 3 42 - 8 - 3666=2, 3.6/927=1 HA ILE 50 - H HIS 36 lone 2 40 - 5 - 990/4.7=3 Peak 934 from nnoeabs.peaks (7.51, 8.01, 118.34 ppm; 4.25 A): 2 out of 12 assignments used, quality = 0.74: * H GLN 15 + H ILE 17 OK 69 100 - 69 - 867/4.5=26, 3.6/3666=17...(8) QE PHE 52 + H ILE 17 OK 17 78 - 21 - 4731/4.3=7, 4730/4.0=6...(5) H GLN 15 - H HIS 36 poor 6 57 - 11 - 927=3, 4.6/27=2...(4) HE22 GLN 53 - H ILE 17 lone 6 100 - 5 - 3.5/2647=1 HE21 GLN 63 - H ILE 17 lone 3 71 - 4 - HD21 ASN 54 - H ILE 17 lone 3 83 - 3 - H TYR 28 - H ILE 17 lone 2 100 - 2 - QE PHE 52 - H HIS 36 lone 1 38 - 2 - H TYR 28 - H HIS 36 lone 1 56 - 1 - HE22 GLN 53 - H HIS 36 lone 1 56 - 1 - HD21 ASN 54 - H HIS 36 lone 1 40 - 1 - HE21 GLN 63 - H HIS 36 lone 0 33 - 1 - Peak 935 from nnoeabs.peaks (3.81, 8.01, 118.34 ppm; 3.69 A): 5 out of 8 assignments used, quality = 0.91: * HA THR 14 + H ILE 17 OK 72 100 - 72 - 3666=20, 4003/4.0=17...(8) HA GLN 15 + H ILE 17 OK 50 85 - 59 - 3.6/27=22, 3.0/934=15...(11) HA ARG 34 + H HIS 36 OK 14 36 - 38 - 3.6/885=14, 4.8/3467=11...(6) HD3 PRO 32 + H ILE 17 OK 13 95 - 13 - 3668/4.0=2, 4075/4.0=2...(7) HA ARG 34 + H ILE 17 OK 12 76 - 15 - 3.6/885=2, 2.9/977=2...(9) HA THR 14 - H HIS 36 lone 5 57 - 8 - 3666=2, 3.6/927=1 HA GLN 15 - H HIS 36 lone 4 42 - 8 - 3.6/868=2, 3.0/927=1...(4) HD3 PRO 32 - H HIS 36 lone 3 49 - 5 - 3.6/936=2, 990/4.7=1 Peak 936 from nnoeabs.peaks (4.38, 8.01, 118.34 ppm; 4.27 A): 7 out of 16 assignments used, quality = 0.88: * HA HIS 13 + H ILE 17 OK 64 100 - 65 - 3662/4.4=22, 3661/4.5=22...(7) HA ASN 40 + H ILE 17 OK 23 100 - 22 - 2.9/2081=3, 2.9/2087=3...(9) HA PRO 32 + H HIS 36 OK 21 55 - 39 - 3729/3.7=23, 980/4.6=16 HA LYS 22 + H ILE 17 OK 16 73 - 21 - 3.0/29=3, 4052/4.3=2...(13) HA ASN 40 + H HIS 36 OK 15 56 - 27 - 3489/4.7=8, ~1006=7...(7) HA PRO 32 + H ILE 17 OK 14 99 - 14 - 3.6/935=2, 930/4.5=2...(5) HB2 SER 12 + H ILE 17 OK 12 100 - 13 - 930/4.5=3, 924/934=2...(5) HA ASN 54 - H ILE 17 poor 9 83 - 10 - 3831/4.6=2, ~3690=2...(5) HA LEU 68 - H ILE 17 lone 8 96 - 8 - 930/4.5=2, 3663/4.4=1...(4) HA LEU 64 - H ILE 17 lone 7 100 - 6 - 930/4.5=1, 3663/4.4=1 HA HIS 13 - H HIS 36 lone 5 57 - 9 - 3664=2, 3729/3.7=2...(4) HB2 SER 12 - H HIS 36 lone 5 57 - 9 - 3729/3.7=4, 980/4.6=2 HA LEU 68 - H HIS 36 lone 3 50 - 5 - 3729/3.7=1 HA LEU 64 - H HIS 36 lone 2 57 - 3 - HA ASN 54 - H HIS 36 lone 1 40 - 3 - HA LYS 22 - H HIS 36 lone 1 35 - 2 - Peak 938 from nnoeabs.peaks (3.23, 7.55, 119.23 ppm; 5.02 A): 3 out of 10 assignments used, quality = 0.98: * HA VAL 16 + H GLU 18 OK 79 100 - 79 - 3.6/869=25, 3.0/932=25...(11) HD3 ARG 21 + H GLU 18 OK 78 98 - 80 - 4139/3.0=24, ~4140=20...(14) HD2 ARG 21 + H GLU 18 OK 51 71 - 73 - ~4139=18, 4140/3.0=16...(13) HA VAL 16 - H TYR 57 OK 21 76 - 28 - 3.6/869=8, 3.0/932=6...(7) HB2 HIS 13 - H GLU 18 OK 11 95 - 12 - 28/4.6=2, 945/4.7=2...(5) HD3 ARG 21 - H TYR 57 poor 8 72 - 12 - 6.3/4134=3, 4137/3371=2 HD2 ARG 21 - H TYR 57 lone 4 47 - 9 - 6.3/4134=3, 4136/3371=1 HB2 HIS 13 - H TYR 57 lone 3 67 - 4 - HB2 HIS 10 - H GLU 18 lone 3 73 - 4 - HB2 HIS 10 - H TYR 57 lone 1 49 - 3 - Peak 940 from nnoeabs.peaks (3.79, 7.55, 119.23 ppm; 4.36 A): 3 out of 10 assignments used, quality = 0.92: * HA GLN 15 + H GLU 18 OK 75 100 - 75 - 3671=33, 3.6/932=17...(15) HA THR 14 + H GLU 18 OK 57 85 - 67 - 3669=22, 4003/4.3=17...(13) HA ARG 34 + H GLU 18 OK 30 100 - 30 - 946/4.7=4, 4096/4.9=3...(15) HD3 PRO 32 - H GLU 18 OK 19 99 - 19 - 4075/4.3=3, 3668/4.5=2...(7) HA GLN 15 - H TYR 57 OK 16 76 - 21 - 3671=8, 3.6/932=4, 4.8/4042=2 HA ILE 50 - H GLU 18 OK 12 83 - 14 - 2477/4.3=2, 4.2/35=2...(5) HA THR 14 - H TYR 57 poor 10 58 - 17 - 3669=5, 4002/3372=2...(6) HA ILE 50 - H TYR 57 lone 5 56 - 9 - 4649/3829=5 HA ARG 34 - H TYR 57 lone 5 75 - 6 - HD3 PRO 32 - H TYR 57 lone 3 74 - 4 - Peak 941 from nnoeabs.peaks (3.81, 7.55, 119.23 ppm; 4.40 A): 6 out of 8 assignments used, quality = 0.95: * HA THR 14 + H GLU 18 OK 75 100 - 75 - 3669=29, 4003/4.3=23...(13) HA GLN 15 + H GLU 18 OK 59 85 - 70 - 3671=26, 3.6/932=18...(16) HA ARG 34 + H GLU 18 OK 21 76 - 27 - 946/4.7=3, 4096/4.9=2...(13) HD3 PRO 32 + H GLU 18 OK 18 95 - 18 - 3668/4.5=3, 4075/4.3=3...(4) HA THR 14 + H TYR 57 OK 16 76 - 21 - 3669=7, 4002/3372=3...(7) HA GLN 15 + H TYR 57 OK 11 58 - 19 - 3671=6, 3.6/932=4, 4.8/4042=2 HD3 PRO 32 - H TYR 57 lone 3 67 - 4 - HA ARG 34 - H TYR 57 lone 3 51 - 5 - Peak 942 from nnoeabs.peaks (8.41, 7.55, 119.23 ppm; 5.01 A): 4 out of 8 assignments used, quality = 0.93: * H GLU 20 + H GLU 18 OK 89 100 - 89 - 950/3.6=38, 949=33...(14) H GLU 67 + H GLU 18 OK 18 97 - 18 - 3691/3.0=5, 3685/3.6=3...(6) H GLU 20 + H TYR 57 OK 17 76 - 22 - 949=7, 4.6/4134=4...(5) H ALA 38 + H GLU 18 OK 10 65 - 15 - 3691/3.0=2, 3685/3.6=2...(5) H LEU 64 - H GLU 18 lone 5 71 - 7 - 3691/3.0=2, 3685/3.6=1 H ALA 38 - H TYR 57 lone 3 43 - 8 - 888/4.5=2, 4.5/907=1 H LEU 64 - H TYR 57 lone 2 47 - 4 - 2.9/3831=2 H GLU 67 - H TYR 57 lone 2 71 - 3 - Peak 943 from nnoeabs.peaks (3.69, 7.98, 124.25 ppm; 4.11 A): 1 out of 1 assignment used, quality = 0.61: * HA ILE 17 + H LEU 19 OK 61 100 - 61 - 3.6/39=22, 950/4.6=21...(13) Peak 945 from nnoeabs.peaks (3.23, 7.98, 124.25 ppm; 4.03 A): 3 out of 5 assignments used, quality = 0.87: * HA VAL 16 + H LEU 19 OK 71 100 - 72 - 3681/4.0=17, 3683/4.6=13...(16) HD3 ARG 21 + H LEU 19 OK 42 98 - 43 - 4139/3.6=14, 6.3/947=8...(10) HD2 ARG 21 + H LEU 19 OK 21 71 - 30 - 4140/3.6=10, 6.3/947=8...(8) HB2 HIS 13 - H LEU 19 lone 8 95 - 9 - 3680/4.0=2, 4119/4.7=1...(4) HB2 HIS 10 - H LEU 19 lone 2 73 - 2 - Peak 946 from nnoeabs.peaks (3.79, 7.98, 124.25 ppm; 5.05 A): 4 out of 5 assignments used, quality = 0.86: * HA GLN 15 + H LEU 19 OK 66 100 - 66 - 3676=24, 3671/4.7=19...(11) HA THR 14 + H LEU 19 OK 33 85 - 40 - 3669/4.7=15, 3675/4.3=5...(12) HA ARG 34 + H LEU 19 OK 30 100 - 29 - 2.9/977=5, 3744/4.6=4...(10) HD3 PRO 32 + H LEU 19 OK 11 99 - 11 - 940/4.7=2, 3673/4.3=1...(4) HA ILE 50 - H LEU 19 poor 10 83 - 12 - ~4106=3, 4113/4.7=2, 940/4.7=2 Peak 947 from nnoeabs.peaks (8.31, 7.98, 124.25 ppm; 4.76 A): 2 out of 4 assignments used, quality = 0.85: * H ARG 21 + H LEU 19 OK 82 100 - 82 - 3692/3.6=29, 4.6/871=27...(16) H LEU 43 + H LEU 19 OK 14 89 - 16 - 3692/3.6=3, 4.0/536=3...(6) H ASN 54 - H LEU 19 poor 9 89 - 10 - 872/4.6=4, 3692/3.6=3 H LYS 62 - H LEU 19 lone 5 97 - 5 - 3692/3.6=1, 872/4.6=1 Peak 948 from nnoeabs.peaks (4.19, 8.41, 118.68 ppm; 3.83 A): 1 out of 1 assignment used, quality = 0.65: HA GLU 20 + H GLU 20 OK 65 65 - 100 - 3.0=100 Reference assignment not found: HA GLU 18 - H GLU 20 Peak 949 from nnoeabs.peaks (7.55, 8.41, 118.68 ppm; 4.99 A): 3 out of 4 assignments used, quality = 0.93: * H GLU 18 + H GLU 20 OK 89 100 - 89 - 3.6/950=37, 942=30...(14) QE PHE 52 + H GLU 20 OK 21 76 - 28 - 4102/3.6=9, 4707/50=9...(5) H TYR 57 + H GLU 20 OK 20 96 - 21 - 942=6, 4134/4.6=4...(5) HE21 GLN 63 - H GLU 20 lone 6 83 - 7 - 4102/3.6=2, 39/4.6=1 Peak 950 from nnoeabs.peaks (3.69, 8.41, 118.68 ppm; 4.04 A): 1 out of 1 assignment used, quality = 0.87: * HA ILE 17 + H GLU 20 OK 87 100 - 87 - 3685=32, 3687/4.0=21...(13) Peak 951 from nnoeabs.peaks (3.23, 8.41, 118.68 ppm; 4.61 A): 3 out of 5 assignments used, quality = 0.93: * HA VAL 16 + H GLU 20 OK 85 100 - 85 - 3683=32, 3681/4.4=21...(14) HD3 ARG 21 + H GLU 20 OK 42 98 - 43 - 6.3/52=14, 945/4.6=8...(10) HD2 ARG 21 + H GLU 20 OK 22 71 - 31 - 6.3/52=14, ~4139=4...(7) HB2 HIS 13 - H GLU 20 lone 9 95 - 9 - 3680/4.4=2, 4112/4.8=2 HB2 HIS 10 - H GLU 20 lone 3 73 - 3 - Peak 952 from nnoeabs.peaks (8.03, 8.41, 118.68 ppm; 3.90 A): 4 out of 6 assignments used, quality = 0.86: H ILE 17 + H GLU 20 OK 56 83 - 67 - 3.0/950=28, 3.6/3683=15...(12) * H LYS 22 + H GLU 20 OK 53 100 - 54 - 959=18, 4.6/52=17...(8) H GLN 53 + H GLU 20 OK 24 100 - 23 - 750/4.0=4, 4.0/541=3...(9) H ASN 40 + H GLU 20 OK 11 96 - 11 - 1004=2, 3699/3.6=2...(4) H LEU 41 - H GLU 20 poor 8 65 - 13 - 4.8/47=4, 3699/3.6=2...(5) H GLN 47 - H GLU 20 lone 7 78 - 8 - 3699/3.6=1, 873/4.6=1 Peak 953 from nnoeabs.peaks (3.64, 8.31, 121.06 ppm; 5.13 A): 4 out of 4 assignments used, quality = 0.83: * HA LEU 19 + H ARG 21 OK 69 100 - 69 - 3.6/52=34, 2.9/947=28...(6) HA GLU 45 + H ARG 21 OK 22 100 - 22 - 960/4.6=6, 3.0/55=3...(6) HA VAL 48 + H ARG 21 OK 19 97 - 20 - 960/4.6=8, 4569/4.0=2...(5) HA ALA 38 + H ARG 21 OK 14 65 - 22 - 2.1/4394=4, 2.9/52=4...(5) Peak 954 from nnoeabs.peaks (7.98, 8.31, 121.06 ppm; 5.16 A): 2 out of 4 assignments used, quality = 0.95: * H LEU 19 + H ARG 21 OK 89 100 - 89 - 947=37, 3.6/3692=33...(16) H ILE 17 + H ARG 21 OK 53 68 - 77 - 3.0/956=40, 4.6/4134=23...(10) H HIS 36 - H ARG 21 OK 16 99 - 15 - 985/2.9=3, 987/4.6=3...(4) H LYS 60 - H ARG 21 lone 6 100 - 6 - 4.1/4502=3 Peak 955 from nnoeabs.peaks (4.19, 8.31, 121.06 ppm; 3.56 A): 3 out of 3 assignments used, quality = 0.93: * HA GLU 18 + H ARG 21 OK 75 100 - 76 - 3692=31, 3.0/4134=14...(14) HA GLU 20 + H ARG 21 OK 65 65 - 100 - 3.6=100 HA ALA 31 + H ARG 21 OK 13 89 - 14 - 4138/4.7=3, 3721/4.0=3...(6) Peak 956 from nnoeabs.peaks (3.69, 8.31, 121.06 ppm; 4.42 A): 1 out of 1 assignment used, quality = 0.87: * HA ILE 17 + H ARG 21 OK 87 100 - 87 - 3687/4.1=25, 3690=25...(13) Peak 958 from nnoeabs.peaks (4.22, 8.03, 120.92 ppm; 4.57 A): 4 out of 5 assignments used, quality = 0.84: * HA GLU 20 + H LYS 22 OK 68 100 - 68 - 3.6/58=24, 3706/4.6=21...(10) HA GLU 18 + H LYS 22 OK 30 65 - 47 - 3692/4.6=11, 3697=11...(13) HA ALA 31 + H LYS 22 OK 16 97 - 16 - 3721/4.5=5, 965/4.6=3...(5) HA ARG 61 + H LYS 22 OK 16 78 - 20 - 3.6/58=4, 3.0/559=4...(7) HB3 SER 30 - H LYS 22 lone 8 100 - 8 - 965/4.6=3, 4.0/874=2 Peak 959 from nnoeabs.peaks (8.41, 8.03, 120.92 ppm; 4.66 A): 3 out of 4 assignments used, quality = 0.76: * H GLU 20 + H LYS 22 OK 64 100 - 64 - 52/4.6=24, 952=17...(8) H ALA 38 + H LYS 22 OK 22 65 - 34 - 3.6/3758=5, 2.9/3764=5...(11) H GLU 67 + H LYS 22 OK 14 97 - 14 - 52/4.6=3, 4.6/962=3...(6) H LEU 64 - H LYS 22 lone 4 71 - 6 - Peak 960 from nnoeabs.peaks (3.64, 8.03, 120.92 ppm; 4.23 A): 4 out of 4 assignments used, quality = 0.87: * HA LEU 19 + H LYS 22 OK 66 100 - 66 - 3699=21, 3.6/959=15...(10) HA VAL 48 + H LYS 22 OK 36 97 - 37 - 3.2/4147=8, 3701/4.0=7...(12) HA GLU 45 + H LYS 22 OK 29 100 - 29 - 3.6/962=8, 953/4.6=3...(9) HA ALA 38 + H LYS 22 OK 17 65 - 25 - 2.9/959=6, 2.1/4395=4...(7) Peak 961 from nnoeabs.peaks (4.19, 8.03, 120.92 ppm; 4.37 A): 3 out of 3 assignments used, quality = 0.79: * HA GLU 18 + H LYS 22 OK 61 100 - 61 - 3697=22, 3692/4.6=20...(13) HA GLU 20 + H LYS 22 OK 38 65 - 58 - 3.6/58=22, 3.0/959=18...(9) HA ALA 31 + H LYS 22 OK 13 89 - 15 - 3721/4.5=4, 3696/4.5=3...(5) Peak 962 from nnoeabs.peaks (8.13, 8.03, 120.92 ppm; 3.92 A): 3 out of 5 assignments used, quality = 0.54: * H SER 24 + H LYS 22 OK 33 100 - 33 - 4.6/874=19, 967/2.9=8...(4) H THR 46 + H LYS 22 OK 23 92 - 25 - 3.6/960=5, 896=5...(8) H ALA 35 + H LYS 22 OK 12 73 - 16 - 3713/3.6=4, 4.3/62=2...(5) H LEU 68 - H LYS 22 lone 9 92 - 9 - 4.6/959=2, 3713/3.6=2 H LYS 27 - H LYS 22 lone 4 99 - 4 - 875/4.6=2 Peak 965 from nnoeabs.peaks (4.22, 8.99, 121.58 ppm; 4.72 A): 4 out of 5 assignments used, quality = 0.92: * HA GLU 20 + H PHE 23 OK 85 100 - 85 - 3706=44, 3707/4.0=31...(7) HA ALA 31 + H PHE 23 OK 22 97 - 23 - 3720/4828=3, 970/4.6=3...(8) HB3 SER 30 + H PHE 23 OK 22 100 - 22 - 3708/4.0=5, 3710/4.0=5...(7) HA GLU 18 + H PHE 23 OK 13 65 - 19 - 3697/4.6=6, 3708/4.0=3...(6) HA ARG 61 - H PHE 23 poor 8 78 - 10 - 958/4.6=3, 3708/4.0=1...(5) Peak 967 from nnoeabs.peaks (4.35, 8.13, 111.74 ppm; 5.89 A): 3 out of 9 assignments used, quality = 0.71: * HA LYS 22 + H SER 24 OK 63 100 - 63 - 3.6/76=39, 4179/4.5=20...(4) HA LEU 68 + H SER 24 OK 12 96 - 12 - 4179/4.5=4, 3832/4.6=2 HA ASN 54 + H SER 24 OK 11 100 - 11 - 4179/4.5=3, 3832/4.6=1 HA LEU 41 - H SER 24 lone 8 97 - 8 - 4179/4.5=3, ~1007=1 HA ASN 40 - H SER 24 lone 6 81 - 7 - 4179/4.5=1 HA LEU 64 - H SER 24 lone 4 76 - 5 - HB2 SER 12 - H SER 24 lone 4 76 - 5 - HA LYS 49 - H SER 24 lone 3 76 - 5 - 4179/4.5=1 HA HIS 13 - H SER 24 lone 3 73 - 4 - Peak 969 from nnoeabs.peaks (4.07, 8.13, 111.74 ppm; 3.41 A): 1 out of 1 assignment used, quality = 0.99: HA SER 24 + H SER 24 OK 99 99 - 100 - 3.0=100 Reference assignment not found: HA ARG 21 - H SER 24 Peak 970 from nnoeabs.peaks (4.22, 8.13, 111.74 ppm; 5.11 A): 3 out of 5 assignments used, quality = 0.85: * HA GLU 20 + H SER 24 OK 75 100 - 75 - 3707/4.6=31, 3709/4.6=30...(5) HB3 SER 30 + H SER 24 OK 25 100 - 25 - 4.0/76=6, 4627/4.4=5...(5) HA ALA 31 + H SER 24 OK 20 97 - 20 - 965/4.6=4, 4627/4.4=3...(5) HA GLU 18 - H SER 24 poor 10 65 - 15 - 4627/4.4=3, 3708/4.6=3...(5) HA ARG 61 - H SER 24 lone 7 78 - 9 - 965/4.6=2, 4627/4.4=1...(4) Peak 972 from nnoeabs.peaks (4.21, 7.21, 117.78 ppm; 5.35 A): 2 out of 4 assignments used, quality = 0.97: * HA ALA 31 + H GLU 33 OK 88 100 - 88 - 3.8/3447=38, 3.8/3448=36...(10) HB3 SER 30 + H GLU 33 OK 70 95 - 75 - 4.0/4258=33, 4268/5.0=21...(10) HA GLU 18 - H GLU 33 OK 13 89 - 15 - 976/4.7=3, 981/979=2...(5) HA GLU 20 - H GLU 33 OK 13 97 - 13 - 976/4.7=3, 3706/4300=3...(4) Peak 974 from nnoeabs.peaks (8.15, 7.21, 117.78 ppm; 4.86 A): 3 out of 5 assignments used, quality = 0.93: * H ALA 35 + H GLU 33 OK 89 100 - 89 - 979=50, 139/4.7=34...(12) H THR 46 + H GLU 33 OK 18 98 - 18 - 2.9/131=4, 884/4.7=4...(5) H LEU 68 + H GLU 33 OK 14 98 - 14 - 3727/3.5=3, 4.7/130=2...(6) H SER 24 - H GLU 33 poor 10 73 - 13 - 4.6/4300=5, 884/4.7=2...(6) H ARG 61 - H GLU 33 lone 5 81 - 6 - 3727/3.5=1, 884/4.7=1 Peak 976 from nnoeabs.peaks (4.21, 8.73, 121.67 ppm; 4.21 A): 4 out of 4 assignments used, quality = 0.95: * HA ALA 31 + H ARG 34 OK 84 100 - 84 - 3720=40, 2.1/4283=23...(12) HB3 SER 30 + H ARG 34 OK 53 95 - 56 - 4.0/4259=21, 4266/2.9=9...(12) HA GLU 18 + H ARG 34 OK 18 89 - 19 - 3724/3.9=3, 3.6/977=3...(9) HA GLU 20 + H ARG 34 OK 16 97 - 16 - 3722/3.9=3, 3724/3.9=3...(6) Peak 977 from nnoeabs.peaks (7.99, 8.73, 121.67 ppm; 4.67 A): 3 out of 5 assignments used, quality = 0.84: * H HIS 36 + H ARG 34 OK 78 100 - 78 - 984=45, 4.6/139=32...(7) H LEU 19 + H ARG 34 OK 16 99 - 16 - 946/2.9=6, 3.6/976=3...(4) H ILE 17 + H ARG 34 OK 14 83 - 16 - 984=5, 885/4.6=3...(5) H ASN 40 - H ARG 34 lone 6 63 - 10 - 885/4.6=3, 4.1/624=1, 4.1/624=1 H LYS 60 - H ARG 34 lone 4 99 - 4 - 4.6/884=1 Peak 978 from nnoeabs.peaks (4.07, 8.15, 120.97 ppm; 5.18 A): 3 out of 8 assignments used, quality = 0.98: * HA GLU 33 + H ALA 35 OK 88 100 - 88 - 3.6/139=45, 3.0/979=39...(16) HA LYS 39 + H ALA 35 OK 57 97 - 59 - ~3749=13, 3731=12...(12) HA LEU 37 + H ALA 35 OK 54 96 - 57 - 3.0/989=31, ~3745=11...(9) HA ARG 21 - H ALA 35 OK 35 100 - 35 - 3713=6, 3716/3.0=5...(10) HB THR 46 - H ALA 35 OK 10 96 - 11 - 4.5/215=4, 2313=2, 985/4.6=1 HA ARG 56 - H ALA 35 lone 9 99 - 9 - 3716/3.0=2, 3713=1, 985/4.6=1 HA SER 24 - H ALA 35 lone 6 99 - 6 - HB THR 14 - H ALA 35 lone 2 65 - 3 - Peak 979 from nnoeabs.peaks (7.21, 8.15, 120.97 ppm; 4.61 A): 1 out of 1 assignment used, quality = 0.82: * H GLU 33 + H ALA 35 OK 82 100 - 82 - 4.7/139=31, 974=28...(12) Peak 980 from nnoeabs.peaks (4.38, 8.15, 120.97 ppm; 3.82 A): 3 out of 7 assignments used, quality = 0.79: * HA PRO 32 + H ALA 35 OK 73 100 - 73 - 3729/2.9=23, 3727=23...(12) HA ASN 40 + H ALA 35 OK 13 98 - 13 - 3729/2.9=3, 3.0/885=3...(4) HB2 SER 12 + H ALA 35 OK 10 99 - 10 - 3729/2.9=4, 3727=3, 3726/4.6=1 HA HIS 13 - H ALA 35 lone 5 99 - 5 - 3729/2.9=2, 3664/4.6=1 HA LEU 68 - H ALA 35 lone 3 87 - 3 - 3729/2.9=1 HA LEU 64 - H ALA 35 lone 2 99 - 2 - HA ASN 54 - H ALA 35 lone 1 68 - 2 - Peak 981 from nnoeabs.peaks (4.21, 8.15, 120.97 ppm; 4.67 A): 4 out of 4 assignments used, quality = 0.91: * HA ALA 31 + H ALA 35 OK 80 100 - 80 - 3725=30, 3720/4.6=25...(8) HB3 SER 30 + H ALA 35 OK 35 95 - 37 - 4266/3.6=9, 3722/4.3=9...(7) HA GLU 20 + H ALA 35 OK 17 97 - 17 - 3722/4.3=4, 3724/4.3=3...(4) HA GLU 18 + H ALA 35 OK 16 89 - 18 - 3724/4.3=4, 3.6/885=4...(4) Peak 983 from nnoeabs.peaks (3.79, 7.99, 118.30 ppm; 4.55 A): 6 out of 10 assignments used, quality = 0.92: * HA ARG 34 + H HIS 36 OK 72 100 - 72 - 2.9/984=30, 3.6/147=28...(8) HA GLN 15 + H ILE 17 OK 36 56 - 64 - 3.6/868=17, 3671/4.6=16...(12) HA THR 14 + H ILE 17 OK 26 36 - 71 - 4003/4.0=17, 4002/4.6=17...(9) HA GLN 15 + H HIS 36 OK 17 100 - 17 - 3676=5, 990/4.7=3...(4) HA ARG 34 + H ILE 17 OK 14 57 - 24 - 3.6/885=4, 2.9/977=4...(9) HD3 PRO 32 + H HIS 36 OK 14 97 - 14 - 3.6/986=7, 990/4.7=4, 996/987=1 HD3 PRO 32 - H ILE 17 poor 9 52 - 17 - 4075/4.0=3, 4078/4.6=3...(7) HA ILE 50 - H HIS 36 lone 9 90 - 10 - 990/4.7=4, 996/987=2 HA THR 14 - H HIS 36 poor 8 76 - 10 - 3.6/927=2, 3666=2, 990/4.7=1 HA ILE 50 - H ILE 17 lone 4 46 - 9 - 2477/4.0=3, 940/4.6=1 Peak 984 from nnoeabs.peaks (8.73, 7.99, 118.30 ppm; 4.44 A): 1 out of 2 assignments used, quality = 0.69: * H ARG 34 + H HIS 36 OK 69 100 - 69 - 139/4.6=29, 977=28...(6) H ARG 34 - H ILE 17 poor 8 57 - 14 - 977=5, 4.6/885=3...(4) Peak 985 from nnoeabs.peaks (4.07, 7.99, 118.30 ppm; 3.82 A): 5 out of 16 assignments used, quality = 0.89: HA LYS 39 + H HIS 36 OK 55 97 - 57 - ~3751=8, 3733/4.0=7...(18) HA LEU 37 + H HIS 36 OK 48 96 - 50 - 3.0/886=24, 3.6/987=15...(9) * HA GLU 33 + H HIS 36 OK 34 100 - 34 - 3.6/984=19, 3731/4.6=7...(6) HA ARG 21 + H ILE 17 OK 18 57 - 32 - ~956=11, ~3690=8...(5) HA ARG 21 + H HIS 36 OK 14 100 - 14 - 3713/4.6=3, 3716/3.6=3...(6) HB THR 46 - H HIS 36 lone 8 96 - 8 - 4.0/147=2, 4.5/886=2, 3522/4.7=1 HB THR 14 - H ILE 17 poor 7 30 - 22 - 3.0/3666=11, 4.2/927=6 HA ARG 56 - H HIS 36 lone 7 99 - 7 - 3716/3.6=1 HA LEU 37 - H ILE 17 lone 5 50 - 9 - 3.0/150=2, 3.6/994=2, 3758=2 HA SER 24 - H HIS 36 lone 4 99 - 4 - HB THR 14 - H HIS 36 lone 3 65 - 4 - 3.0/3666=1 HA ARG 56 - H ILE 17 lone 3 54 - 5 - 3.6/32=2 HA GLU 33 - H ILE 17 lone 2 57 - 4 - 3.6/977=2 HA LYS 39 - H ILE 17 lone 2 52 - 4 - HB THR 46 - H ILE 17 lone 1 50 - 2 - HA SER 24 - H ILE 17 lone 1 55 - 1 - Peak 986 from nnoeabs.peaks (4.38, 7.99, 118.30 ppm; 4.67 A): 5 out of 14 assignments used, quality = 0.82: * HA PRO 32 + H HIS 36 OK 47 100 - 48 - 3729/3.7=26, 980/4.6=19...(4) HA HIS 13 + H ILE 17 OK 38 55 - 69 - 3661/4.5=26, 3662/4.4=25...(6) HA ASN 40 + H HIS 36 OK 30 98 - 31 - 3489/4.7=9, ~1006=9...(5) HB2 SER 12 + H HIS 36 OK 11 99 - 10 - 3729/3.7=5, 980/4.6=3 HA ASN 40 + H ILE 17 OK 10 53 - 19 - 3663/4.4=3, 4052/4.3=3...(9) HA HIS 13 - H HIS 36 lone 10 99 - 9 - 3664=2, 3729/3.7=2, 980/4.6=1 HA PRO 32 - H ILE 17 poor 9 57 - 15 - 930/4.5=2, 4052/4.3=2...(8) HB2 SER 12 - H ILE 17 poor 7 54 - 14 - 930/4.5=4, 4052/4.3=2...(5) HA LEU 68 - H HIS 36 lone 6 87 - 7 - 3.0/147=2, 3729/3.7=1 HA LEU 64 - H ILE 17 lone 4 54 - 7 - 930/4.5=1, 4052/4.3=1...(4) HA LEU 68 - H ILE 17 lone 4 43 - 9 - 930/4.5=2, 3663/4.4=1...(4) HA LEU 64 - H HIS 36 lone 4 99 - 3 - HA ASN 54 - H ILE 17 lone 3 32 - 10 - ~3690=2, 3831/4.6=1...(6) HA ASN 54 - H HIS 36 lone 3 68 - 4 - Peak 987 from nnoeabs.peaks (8.44, 7.99, 118.30 ppm; 4.23 A): 2 out of 4 assignments used, quality = 0.79: * H ALA 38 + H HIS 36 OK 75 100 - 75 - 3746/3.6=25, 887/4.7=23...(11) H GLU 20 + H ILE 17 OK 16 30 - 54 - 950/3.0=17, 3683/3.6=12...(11) H GLU 20 - H HIS 36 poor 10 65 - 14 - 887/4.7=3, 3746/3.6=2...(6) H ALA 38 - H ILE 17 poor 7 57 - 13 - 994=3, 4.6/150=2...(4) Peak 988 from nnoeabs.peaks (3.98, 8.07, 120.69 ppm; 5.31 A): 3 out of 6 assignments used, quality = 0.93: * HA ALA 35 + H LEU 37 OK 80 100 - 80 - 3.0/989=31, 3.6/886=31...(9) HA LYS 42 + H LEU 37 OK 53 100 - 54 - 995/4.6=10, 3.0/181=9...(14) HA GLN 47 + H LEU 37 OK 29 76 - 38 - 3.6/992=9, 4543/4.5=7...(11) HB3 SER 24 - H LEU 37 lone 8 97 - 8 - 4.0/989=1, 995/4.6=1 HB2 SER 24 - H LEU 37 lone 8 96 - 8 - 4.0/989=1, 995/4.6=1 HB2 SER 30 - H LEU 37 lone 4 60 - 6 - 4867/3739=1 Peak 989 from nnoeabs.peaks (8.15, 8.07, 120.69 ppm; 3.87 A): 2 out of 5 assignments used, quality = 0.56: * H ALA 35 + H LEU 37 OK 49 100 - 49 - 147/4.7=16, 3.6/3739=14...(8) H THR 46 + H LEU 37 OK 14 98 - 14 - 896=5, 700/3.0=3...(4) H LEU 68 - H LEU 37 lone 4 98 - 4 - 367/3.6=1 H SER 24 - H LEU 37 lone 2 73 - 3 - H ARG 61 - H LEU 37 lone 2 81 - 3 - Peak 990 from nnoeabs.peaks (3.79, 8.07, 120.69 ppm; 4.03 A): 4 out of 5 assignments used, quality = 0.88: * HA ARG 34 + H LEU 37 OK 76 100 - 76 - 3739=24, 3.6/989=19...(13) HD3 PRO 32 + H LEU 37 OK 24 97 - 25 - 3743/4.0=5, 3741/4.0=5...(8) HA ILE 50 + H LEU 37 OK 23 90 - 25 - 3.2/643=5, 2474/4.5=4...(8) HA GLN 15 + H LEU 37 OK 18 100 - 18 - 3743/4.0=3, 4869/4.5=3...(9) HA THR 14 - H LEU 37 lone 7 76 - 9 - 4869/4.5=2 Peak 991 from nnoeabs.peaks (4.07, 8.07, 120.69 ppm; 3.25 A): 1 out of 1 assignment used, quality = 0.96: HA LEU 37 + H LEU 37 OK 96 96 - 100 - 3.0=100 Reference assignment not found: HA GLU 33 - H LEU 37 Peak 992 from nnoeabs.peaks (7.67, 8.07, 120.69 ppm; 4.66 A): 4 out of 5 assignments used, quality = 0.95: * H LYS 39 + H LEU 37 OK 85 100 - 85 - 162/4.6=30, 3751/3.6=22...(15) H VAL 48 + H LEU 37 OK 43 98 - 44 - 4.0/644=8, 714/4.5=7...(13) H LYS 58 + H LEU 37 OK 25 100 - 25 - 3751/3.6=4, 3757/3.0=4...(9) HE22 GLN 47 + H LEU 37 OK 20 99 - 20 - 3757/3.0=3, 3.4/2345=3...(7) HE22 GLN 26 - H LEU 37 lone 2 60 - 3 - Peak 993 from nnoeabs.peaks (4.32, 8.44, 119.33 ppm; 4.71 A): 3 out of 5 assignments used, quality = 0.92: * HA HIS 36 + H ALA 38 OK 84 100 - 84 - 3.6/887=36, 3750=28...(13) HA LEU 41 + H ALA 38 OK 45 76 - 59 - 3.0/155=11, ~4461=10...(12) HA LYS 49 + H ALA 38 OK 14 97 - 14 - 1000/4.5=4, ~4407=2...(4) HA GLN 63 - H ALA 38 lone 3 100 - 3 - HA GLU 67 - H ALA 38 lone 2 100 - 2 - Peak 994 from nnoeabs.peaks (7.99, 8.44, 119.33 ppm; 4.55 A): 4 out of 5 assignments used, quality = 0.93: * H HIS 36 + H ALA 38 OK 83 100 - 83 - 987=35, 3.6/3746=28...(11) H ASN 40 + H ALA 38 OK 48 63 - 77 - 4.7/162=28, 1004=21...(12) H ILE 17 + H ALA 38 OK 12 83 - 15 - 987=3, 150/4.6=2...(5) H LEU 19 + H ALA 38 OK 11 99 - 11 - 150/4.6=2, 946/3744=2...(4) H LYS 60 - H ALA 38 lone 3 99 - 3 - Peak 995 from nnoeabs.peaks (3.98, 8.44, 119.33 ppm; 4.01 A): 3 out of 6 assignments used, quality = 0.90: * HA ALA 35 + H ALA 38 OK 76 100 - 76 - 3746=39, 3.6/987=17...(9) HA LYS 42 + H ALA 38 OK 47 100 - 47 - 3748/2.9=13, ~4407=6...(14) HA GLN 47 + H ALA 38 OK 24 76 - 31 - 3.6/888=6, 3.0/155=6...(11) HB3 SER 24 - H ALA 38 lone 6 97 - 5 - 3748/2.9=1 HB2 SER 24 - H ALA 38 lone 5 96 - 5 - 3748/2.9=1 HB2 SER 30 - H ALA 38 lone 2 60 - 3 - Peak 996 from nnoeabs.peaks (3.79, 8.44, 119.33 ppm; 4.35 A): 4 out of 5 assignments used, quality = 0.87: * HA ARG 34 + H ALA 38 OK 74 100 - 74 - 3744=31, 3740/4.4=18...(12) HA ILE 50 + H ALA 38 OK 27 90 - 29 - 3.2/160=7, 4412/2.9=5...(8) HD3 PRO 32 + H ALA 38 OK 20 97 - 21 - 3743/4.4=5, 3741/4.4=5...(7) HA GLN 15 + H ALA 38 OK 15 100 - 15 - 3743/4.4=3, 990/4.6=3...(5) HA THR 14 - H ALA 38 lone 6 76 - 8 - 990/4.6=1, 3743/4.4=1 Peak 997 from nnoeabs.peaks (8.02, 8.44, 119.33 ppm; 3.64 A): 3 out of 5 assignments used, quality = 0.86: * H ASN 40 + H ALA 38 OK 70 100 - 71 - 1004=22, 4.7/162=18...(14) H HIS 36 + H ALA 38 OK 38 63 - 61 - 3.6/3746=18, 4.7/887=17...(10) H LYS 22 + H ALA 38 OK 23 96 - 24 - 3758/3.6=4, 3764/2.9=4...(10) H ILE 17 - H ALA 38 lone 10 99 - 9 - 3758/3.6=2, 3764/2.9=1, 987=1 H GLN 53 - H ALA 38 lone 6 90 - 7 - 3764/2.9=1, 3758/3.6=1 Peak 998 from nnoeabs.peaks (4.06, 7.67, 116.42 ppm; 3.25 A): 1 out of 1 assignment used, quality = 0.76: HA LYS 39 + H LYS 39 OK 76 76 - 100 - 3.0=100 Reference assignment not found: HA LEU 37 - H LYS 39 Peak 999 from nnoeabs.peaks (8.07, 7.67, 116.42 ppm; 3.38 A): 3 out of 4 assignments used, quality = 0.85: * H LEU 37 + H LYS 39 OK 58 100 - 59 - 4.6/162=15, 3.6/3751=11...(13) H LEU 41 + H LYS 39 OK 49 97 - 51 - 175/4.7=11, 4.2/4417=10...(11) H GLN 47 + H LYS 39 OK 29 92 - 31 - 897=8, 3.0/1001=3...(11) H ARG 55 - H LYS 39 lone 7 99 - 7 - 4.5/1059=2, 3.0/3838=1 Peak 1000 from nnoeabs.peaks (4.32, 7.67, 116.42 ppm; 4.00 A): 3 out of 5 assignments used, quality = 0.88: * HA HIS 36 + H LYS 39 OK 78 100 - 78 - 3751=28, 3752/3.9=13...(18) HA LEU 41 + H LYS 39 OK 31 76 - 42 - 3.0/999=12, 1006/4.7=6...(11) HA LYS 49 + H LYS 39 OK 18 97 - 19 - 3.0/227=5, 1006/4.7=2...(7) HA GLN 63 - H LYS 39 lone 2 100 - 2 - HA GLU 67 - H LYS 39 lone 2 100 - 2 - Peak 1001 from nnoeabs.peaks (3.98, 7.67, 116.42 ppm; 4.41 A): 3 out of 6 assignments used, quality = 0.86: * HA ALA 35 + H LYS 39 OK 67 100 - 68 - 3749=22, 3746/4.5=22...(11) HA LYS 42 + H LYS 39 OK 43 100 - 44 - 3748/3.6=12, ~4893=11...(11) HA GLN 47 + H LYS 39 OK 25 76 - 33 - 3.0/1002=8, 3748/3.6=5...(10) HB3 SER 24 - H LYS 39 lone 6 97 - 6 - 3748/3.6=1 HB2 SER 24 - H LYS 39 lone 6 96 - 5 - 3748/3.6=1 HB2 SER 30 - H LYS 39 lone 1 60 - 2 - Peak 1002 from nnoeabs.peaks (8.06, 7.67, 116.42 ppm; 3.38 A): 3 out of 6 assignments used, quality = 0.86: H LEU 37 + H LYS 39 OK 57 97 - 58 - 4.6/162=15, 3.6/3751=11...(13) * H LEU 41 + H LYS 39 OK 51 100 - 52 - 175/4.7=12, 4.2/4417=10...(12) H GLN 47 + H LYS 39 OK 33 100 - 33 - 897=9, 4395/3.6=4...(12) H LYS 22 - H LYS 39 poor 8 65 - 12 - 3.6/3843=2, 4395/3.6=2...(4) H ARG 55 - H LYS 39 lone 6 87 - 7 - 4.5/1059=2, 3.0/3838=1 H GLN 53 - H LYS 39 lone 3 76 - 4 - Peak 1003 from nnoeabs.peaks (3.61, 8.02, 117.69 ppm; 5.06 A): 3 out of 4 assignments used, quality = 0.88: * HA ALA 38 + H ASN 40 OK 80 100 - 80 - 2.9/1004=33, 3.6/165=29...(11) HA VAL 48 + H ASN 40 OK 32 90 - 35 - 3.2/4420=15, 1009/4.6=9...(7) HA LEU 19 + H ASN 40 OK 11 65 - 17 - 3.6/1004=4, 1009/4.6=3...(5) HA GLU 45 - H ASN 40 poor 8 60 - 13 - 3772/4.7=3, 4512/4420=2...(4) Peak 1004 from nnoeabs.peaks (8.44, 8.02, 117.69 ppm; 4.57 A): 2 out of 2 assignments used, quality = 0.86: * H ALA 38 + H ASN 40 OK 84 100 - 85 - 162/4.7=29, 997=24...(15) H GLU 20 + H ASN 40 OK 11 65 - 17 - 3.6/3699=2, 4.6/873=2...(6) Peak 1005 from nnoeabs.peaks (4.06, 8.02, 117.69 ppm; 3.48 A): 3 out of 8 assignments used, quality = 0.95: * HA LEU 37 + H ASN 40 OK 75 100 - 75 - 3758=24, 3759/3.9=19...(13) HA LYS 39 + H ASN 40 OK 74 76 - 97 - 3.6=93, 3.0/165=19...(16) HA ARG 21 + H ASN 40 OK 17 96 - 18 - 2.9/873=2, 3762/3.9=2...(9) HA GLU 33 - H ASN 40 lone 9 95 - 9 - 3762/3.9=1, 3737/4.6=1 HB THR 46 - H ASN 40 lone 8 100 - 8 - 4.5/890=2, 3522/4.6=1...(4) HA ARG 56 - H ASN 40 lone 7 81 - 8 - 3843/4.7=1 HB THR 14 - H ASN 40 lone 6 93 - 6 - 3.0/3666=2 HA SER 24 - H ASN 40 lone 3 85 - 3 - Peak 1006 from nnoeabs.peaks (4.32, 8.02, 117.69 ppm; 4.68 A): 3 out of 5 assignments used, quality = 0.87: * HA HIS 36 + H ASN 40 OK 69 100 - 70 - 3751/4.7=18, 3752/4.1=16...(13) HA LEU 41 + H ASN 40 OK 51 76 - 67 - 3.0/175=33, ~3489=12...(10) HA LYS 49 + H ASN 40 OK 15 97 - 16 - 1000/4.7=4, 3755/4.1=2...(5) HA GLN 63 - H ASN 40 lone 3 100 - 3 - HA GLU 67 - H ASN 40 lone 3 100 - 3 - Peak 1007 from nnoeabs.peaks (4.08, 8.06, 116.05 ppm; 4.62 A): 3 out of 8 assignments used, quality = 0.93: * HA LYS 39 + H LEU 41 OK 74 100 - 74 - 3.6/175=30, 4893/4.6=18...(16) HA LEU 37 + H LEU 41 OK 59 78 - 75 - 3759/4.2=20, 3761/4.2=19...(15) HA ARG 21 + H LEU 41 OK 38 97 - 39 - 2.9/4434=6, 4466/4.6=5...(14) HA GLU 33 - H LEU 41 OK 22 97 - 22 - 4893/4.6=6, 3737=4...(7) HA ARG 56 - H LEU 41 OK 18 100 - 18 - 3.0/279=2, 4466/4.6=2...(6) HB THR 46 - H LEU 41 poor 10 78 - 12 - 3522=3, 4.0/896=2...(5) HA SER 24 - H LEU 41 lone 8 100 - 8 - 3.0/4441=1, 3.0/4441=1 HA LYS 58 - H LEU 41 lone 4 68 - 6 - 3.0/1008=2, 166/4.6=1 Peak 1008 from nnoeabs.peaks (7.67, 8.06, 116.05 ppm; 4.95 A): 4 out of 5 assignments used, quality = 0.93: * H LYS 39 + H LEU 41 OK 80 100 - 81 - 4.7/175=26, 4417/4.2=22...(15) H VAL 48 + H LEU 41 OK 48 98 - 49 - 4.0/4465=13, 3.0/1009=11...(11) HE22 GLN 47 + H LEU 41 OK 20 99 - 21 - 3.4/2345=5, 3.4/2353=4...(5) H LYS 58 + H LEU 41 OK 12 100 - 11 - 165/4.6=4 HE22 GLN 26 - H LEU 41 lone 2 60 - 3 - Peak 1009 from nnoeabs.peaks (3.61, 8.06, 116.05 ppm; 4.66 A): 3 out of 4 assignments used, quality = 0.87: * HA ALA 38 + H LEU 41 OK 72 100 - 72 - 3765=17, 3.6/1008=13...(15) HA VAL 48 + H LEU 41 OK 45 90 - 49 - 3.2/4465=14, 3.0/1008=9...(10) HA LEU 19 + H LEU 41 OK 17 65 - 26 - 4455/4.8=7, 3.0/670=5...(6) HA GLU 45 - H LEU 41 poor 8 60 - 14 - 4512/4465=2, 3.6/896=2 Peak 1010 from nnoeabs.peaks (4.06, 8.06, 116.05 ppm; 4.78 A): 3 out of 8 assignments used, quality = 0.96: * HA LEU 37 + H LEU 41 OK 85 100 - 85 - 3759/4.2=32, 3761/4.2=30...(15) HA LYS 39 + H LEU 41 OK 55 76 - 74 - 3.6/175=31, 3.0/1008=16...(16) HA ARG 21 + H LEU 41 OK 39 96 - 41 - 2.9/4434=7, 3.6/175=5...(13) HA GLU 33 - H LEU 41 OK 21 95 - 21 - 4893/4.6=4, 3737=4...(7) HB THR 46 - H LEU 41 OK 16 100 - 15 - 3522=4, 4.0/896=2...(7) HA ARG 56 - H LEU 41 OK 14 81 - 17 - 3.0/279=2, 4466/4.6=2...(6) HB THR 14 - H LEU 41 OK 14 93 - 15 - 4453/4.8=5, 3.9/891=2...(4) HA SER 24 - H LEU 41 lone 7 85 - 8 - 3.0/4441=1, 3.0/4441=1, ~967=1 Peak 1012 from nnoeabs.peaks (7.68, 8.14, 115.25 ppm; 5.20 A): 3 out of 4 assignments used, quality = 0.77: * H VAL 48 + H THR 46 OK 60 100 - 61 - 4.6/215=28, 1016/2.9=23...(6) HE22 GLN 47 + H THR 46 OK 26 90 - 29 - 6.9/215=15, 3.4/213=8 H LYS 39 + H THR 46 OK 23 98 - 23 - 3772/3.6=9, 1002/4.6=7...(4) H LYS 58 - H THR 46 lone 6 100 - 6 - 3772/3.6=2 Peak 1013 from nnoeabs.peaks (3.64, 8.05, 120.26 ppm; 4.61 A): 4 out of 4 assignments used, quality = 0.92: * HA GLU 45 + H GLN 47 OK 71 100 - 71 - 3.0/1014=29, 3.6/215=29...(9) HA VAL 48 + H GLN 47 OK 61 95 - 64 - 3.6/1015=29, 3.0/219=20...(6) HA ALA 38 + H GLN 47 OK 22 60 - 37 - 2.1/4395=9, 3.6/1002=8...(9) HA LEU 19 + H GLN 47 OK 14 100 - 14 - 3.7/218=3, 3699=2...(5) Peak 1014 from nnoeabs.peaks (9.24, 8.05, 120.26 ppm; 4.97 A): 1 out of 1 assignment used, quality = 0.66: * H GLU 45 + H GLN 47 OK 66 100 - 66 - 209/4.6=32, 4.6/4562=30...(6) Peak 1015 from nnoeabs.peaks (8.54, 8.05, 120.26 ppm; 4.56 A): 1 out of 1 assignment used, quality = 0.81: * H LYS 49 + H GLN 47 OK 81 100 - 81 - 3777/3.6=33, 898/4.6=29...(11) Peak 1016 from nnoeabs.peaks (3.90, 7.68, 118.72 ppm; 5.53 A): 2 out of 4 assignments used, quality = 0.67: * HA THR 46 + H VAL 48 OK 62 100 - 63 - 3777/4.6=36, 3.6/219=23...(4) HA LYS 27 + H VAL 48 OK 12 100 - 12 - 1022/4.6=5, 4.9/4568=3 HD2 PRO 32 - H VAL 48 lone 8 98 - 8 - 1022/4.6=5 HB2 SER 65 - H VAL 48 lone 2 65 - 3 - Peak 1018 from nnoeabs.peaks (3.64, 7.68, 118.72 ppm; 3.62 A): 1 out of 1 assignment used, quality = 0.95: HA VAL 48 + H VAL 48 OK 95 95 - 100 - 3.0=100 Reference assignment not found: HA GLU 45 - H VAL 48 Peak 1020 from nnoeabs.peaks (3.96, 8.54, 121.11 ppm; 4.96 A): 4 out of 9 assignments used, quality = 0.91: * HA GLN 47 + H LYS 49 OK 84 100 - 84 - 3.6/898=41, 3.0/1015=37...(6) HA GLN 53 + H LYS 49 OK 26 81 - 32 - 1027/4.5=8, ~1043=7...(6) HA LYS 42 + H LYS 49 OK 14 78 - 17 - 3.0/229=4, 3.0/718=3...(5) HA ALA 35 + H LYS 49 OK 10 76 - 14 - 3749/4.6=3, 4350/3775=3...(4) HB2 SER 66 - H LYS 49 lone 6 90 - 6 - 4.0/1024=3, 1027/4.5=1 HB2 SER 65 - H LYS 49 lone 3 63 - 5 - 4.5/1024=3 HB2 SER 24 - H LYS 49 lone 3 97 - 3 - HB3 SER 24 - H LYS 49 lone 3 95 - 3 - HB3 SER 12 - H LYS 49 lone 2 97 - 2 - Peak 1021 from nnoeabs.peaks (8.05, 8.54, 121.11 ppm; 4.83 A): 3 out of 6 assignments used, quality = 0.96: * H GLN 47 + H LYS 49 OK 91 100 - 91 - 1015=50, 3.6/3777=36...(11) H GLN 53 + H LYS 49 OK 37 87 - 43 - 1043/3.0=10, 4.5/4590=8...(9) H LEU 41 + H LYS 49 OK 37 100 - 37 - 4465/4.1=12, 1009/3.6=10...(8) H LEU 37 - H LYS 49 OK 25 92 - 27 - 644/4.1=7, 4.5/231=7...(7) H LYS 22 - H LYS 49 OK 17 78 - 22 - 960/3.6=6, 4147/4.1=6...(6) H ARG 55 - H LYS 49 lone 6 76 - 8 - 4.6/1024=3, 219/4.6=1 Peak 1022 from nnoeabs.peaks (3.90, 8.54, 121.11 ppm; 3.98 A): 3 out of 4 assignments used, quality = 0.89: * HA THR 46 + H LYS 49 OK 84 100 - 84 - 3777=48, 3.6/1015=22...(11) HA LYS 27 + H LYS 49 OK 18 100 - 17 - 3781/4.0=4, 3779/4.0=3...(7) HD2 PRO 32 + H LYS 49 OK 15 98 - 15 - 3779/4.0=4, 3781/4.0=4...(6) HB2 SER 65 - H LYS 49 lone 3 65 - 4 - 4.5/1024=2 Peak 1023 from nnoeabs.peaks (3.64, 8.54, 121.11 ppm; 4.12 A): 1 out of 1 assignment used, quality = 0.95: HA VAL 48 + H LYS 49 OK 95 95 - 100 - 3.6=100 Reference assignment not found: HA GLU 45 - H LYS 49 Peak 1024 from nnoeabs.peaks (8.27, 8.54, 121.11 ppm; 4.92 A): 3 out of 3 assignments used, quality = 0.90: * H TRP 51 + H LYS 49 OK 87 100 - 87 - 1031=50, 242/4.5=34...(14) H ASN 54 + H LYS 49 OK 14 60 - 24 - 3.6/1020=5, 900/4.5=5...(5) H SER 66 + H LYS 49 OK 11 92 - 12 - 900/4.5=4, 3789/3.6=2 Peak 1027 from nnoeabs.peaks (3.96, 8.69, 119.98 ppm; 4.52 A): 3 out of 9 assignments used, quality = 0.94: * HA GLN 47 + H ILE 50 OK 83 100 - 83 - 3784=49, 4544/4.9=21...(7) HA GLN 53 + H ILE 50 OK 57 81 - 71 - ~3806=18, 4649/3.0=15...(13) HA LYS 42 + H ILE 50 OK 20 78 - 25 - 4602/4.0=5, 3.0/235=4...(10) HB2 SER 66 - H ILE 50 lone 8 90 - 8 - 4.0/900=4, 3786/3.9=1 HA ALA 35 - H ILE 50 lone 5 76 - 7 - 4602/4.0=2, 1020/4.5=1 HB2 SER 24 - H ILE 50 lone 5 97 - 5 - HB3 SER 24 - H ILE 50 lone 5 95 - 5 - 4602/4.0=1 HB2 SER 65 - H ILE 50 lone 4 63 - 7 - 4.5/900=4 HB3 SER 12 - H ILE 50 lone 3 97 - 3 - Peak 1028 from nnoeabs.peaks (3.90, 8.69, 119.98 ppm; 4.91 A): 3 out of 4 assignments used, quality = 0.89: * HA THR 46 + H ILE 50 OK 84 100 - 84 - 3782=50, 3777/4.5=30...(6) HD2 PRO 32 + H ILE 50 OK 18 98 - 18 - 3781/4.4=5, 3779/4.4=5...(5) HA LYS 27 + H ILE 50 OK 17 100 - 17 - 3781/4.4=5, 3779/4.4=5...(4) HB2 SER 65 - H ILE 50 lone 5 65 - 7 - 4.5/900=4 Peak 1031 from nnoeabs.peaks (8.54, 8.27, 121.67 ppm; 4.67 A): 1 out of 1 assignment used, quality = 0.80: * H LYS 49 + H TRP 51 OK 80 100 - 80 - 1024=33, 4.5/242=31...(14) Peak 1032 from nnoeabs.peaks (3.63, 8.27, 121.67 ppm; 3.86 A): 3 out of 4 assignments used, quality = 0.77: * HA VAL 48 + H TRP 51 OK 66 100 - 67 - 3789=29, 3.6/1031=20...(7) HA LEU 19 + H TRP 51 OK 21 97 - 22 - 3791/4.1=6, 3793/4.1=6...(5) HA GLU 45 + H TRP 51 OK 13 95 - 14 - 3775/1031=6, 3793/4.1=2...(4) HA ALA 38 - H TRP 51 lone 7 90 - 7 - 1038/4.6=1, 3791/4.1=1 Peak 1033 from nnoeabs.peaks (3.96, 8.27, 121.67 ppm; 4.75 A): 3 out of 9 assignments used, quality = 0.91: * HA GLN 47 + H TRP 51 OK 79 100 - 79 - 3787=40, 3784/4.7=25...(9) HA GLN 53 + H TRP 51 OK 50 81 - 63 - 2.9/1041=23, 4649/3.6=15...(11) HA LYS 42 + H TRP 51 OK 14 78 - 17 - 4602/4.3=5, 3.0/4624=3...(5) HA ALA 35 - H TRP 51 lone 6 76 - 8 - 4602/4.3=2 HB2 SER 24 - H TRP 51 lone 5 97 - 5 - 4602/4.3=1 HB3 SER 24 - H TRP 51 lone 5 95 - 5 - 4602/4.3=1 HB2 SER 66 - H TRP 51 lone 4 90 - 5 - 3786/4.4=1, 1027/4.7=1 HB3 SER 12 - H TRP 51 lone 3 97 - 3 - HB2 SER 65 - H TRP 51 lone 2 63 - 3 - Peak 1034 from nnoeabs.peaks (8.03, 8.27, 121.67 ppm; 5.27 A): 3 out of 6 assignments used, quality = 0.96: * H GLN 53 + H TRP 51 OK 87 100 - 88 - 4.6/901=36, 1040/2.9=28...(15) H GLN 47 + H TRP 51 OK 47 87 - 55 - 3.0/3787=31...(7) H LYS 22 + H TRP 51 OK 34 100 - 34 - 4147/4.3=8, 3803/3.6=7...(10) H ASN 40 - H TRP 51 OK 15 90 - 16 - 4.1/244=3, 4.1/244=3...(5) H LEU 41 - H TRP 51 poor 10 76 - 13 - 1009/3789=2, 902/4.6=2...(4) H ILE 17 - H TRP 51 poor 9 73 - 12 - 4.0/248=4, 902/4.6=2, 3803/3.6=2 Peak 1035 from nnoeabs.peaks (3.77, 8.94, 119.28 ppm; 3.90 A): 1 out of 1 assignment used, quality = 0.89: HA PHE 52 + H PHE 52 OK 89 89 - 100 - 2.9=100 Reference assignment not found: HA ILE 50 - H PHE 52 Peak 1036 from nnoeabs.peaks (8.69, 8.94, 119.28 ppm; 5.03 A): 1 out of 1 assignment used, quality = 0.70: * H ILE 50 + H PHE 52 OK 70 100 - 70 - 242/4.6=34, 3.0/3802=33 Peak 1037 from nnoeabs.peaks (4.33, 8.94, 119.28 ppm; 4.65 A): 4 out of 7 assignments used, quality = 0.86: * HA LYS 49 + H PHE 52 OK 74 100 - 74 - 3796=36, 3.6/1036=26...(8) HA ASN 54 + H PHE 52 OK 29 65 - 44 - 3.0/1046=24, ~1045=8...(6) HA LEU 41 + H PHE 52 OK 15 96 - 16 - 1043/4.6=3, 3800/4.1=3...(6) HA LYS 22 + H PHE 52 OK 12 76 - 16 - 1043/4.6=5, 2.9/902=4...(5) HA GLN 63 - H PHE 52 lone 6 93 - 6 - 1043/4.6=1, 3800/4.1=1 HA HIS 36 - H PHE 52 lone 5 97 - 5 - 1043/4.6=1, 3800/4.1=1 HA GLU 67 - H PHE 52 lone 4 92 - 4 - Peak 1038 from nnoeabs.peaks (3.63, 8.94, 119.28 ppm; 4.30 A): 3 out of 4 assignments used, quality = 0.82: * HA VAL 48 + H PHE 52 OK 72 100 - 72 - 3794=24, 3.2/4632=20...(8) HA LEU 19 + H PHE 52 OK 28 97 - 29 - 3791/4.3=7, 3793/4.3=7...(7) HA GLU 45 + H PHE 52 OK 11 95 - 11 - 1032/4.6=3, 3793/4.3=3...(4) HA ALA 38 - H PHE 52 lone 9 90 - 10 - 3791/4.3=2, 3793/4.3=2...(6) Peak 1039 from nnoeabs.peaks (8.29, 8.94, 119.28 ppm; 3.99 A): 2 out of 5 assignments used, quality = 0.81: * H ASN 54 + H PHE 52 OK 60 100 - 60 - 4.6/259=21, 1046=19...(8) H TRP 51 + H PHE 52 OK 52 60 - 86 - 4.6=64, 3.6/3802=18...(10) H SER 66 - H PHE 52 lone 9 93 - 9 - 1046=2, 903/4.6=2, 1047/3.6=1 H ARG 21 - H PHE 52 lone 8 89 - 9 - 903/4.6=3, 4.6/902=2 H LYS 62 - H PHE 52 lone 2 99 - 2 - Peak 1040 from nnoeabs.peaks (4.02, 8.03, 118.15 ppm; 5.51 A): 1 out of 3 assignments used, quality = 0.86: * HA TRP 51 + H GLN 53 OK 86 100 - 86 - 3.6/259=45, 4729/4.4=30...(7) HB2 SER 30 - H GLN 53 lone 9 99 - 9 - 1047/4.6=4, 4729/4.4=1 HB THR 14 - H GLN 53 lone 5 63 - 9 - 4729/4.4=2, 1047/4.6=2 Peak 1041 from nnoeabs.peaks (8.27, 8.03, 118.15 ppm; 3.48 A): 2 out of 3 assignments used, quality = 0.74: * H TRP 51 + H GLN 53 OK 55 100 - 55 - 901/4.6=16, 2.9/1040=10...(12) H ASN 54 + H GLN 53 OK 42 60 - 70 - 4.6=43, 4.4/751=16...(11) H SER 66 - H GLN 53 lone 6 92 - 6 - 265=1 Peak 1042 from nnoeabs.peaks (3.77, 8.03, 118.15 ppm; 3.59 A): 1 out of 1 assignment used, quality = 0.89: HA PHE 52 + H GLN 53 OK 89 89 - 100 - 3.6=100 Reference assignment not found: HA ILE 50 - H GLN 53 Peak 1043 from nnoeabs.peaks (4.33, 8.03, 118.15 ppm; 4.22 A): 4 out of 7 assignments used, quality = 0.72: * HA LYS 49 + H GLN 53 OK 41 100 - 41 - 3796/4.6=17, 3800/4.5=10...(6) HA ASN 54 + H GLN 53 OK 26 65 - 40 - 3.0/265=26, 4663/2.9=10...(5) HA LYS 22 + H GLN 53 OK 25 76 - 33 - 3.0/753=8, 3.0/1414=6...(10) HA LEU 41 + H GLN 53 OK 16 96 - 16 - 3.0/175=3, 3800/4.5=2...(5) HA GLN 63 - H GLN 53 lone 6 93 - 6 - 3.7/753=1, 3.7/753=1 HA HIS 36 - H GLN 53 lone 5 97 - 5 - HA GLU 67 - H GLN 53 lone 3 92 - 3 - Peak 1045 from nnoeabs.peaks (3.76, 8.29, 117.45 ppm; 4.33 A): 2 out of 8 assignments used, quality = 0.82: * HA PHE 52 + H ASN 54 OK 59 100 - 59 - 3.6/265=23, 2.9/1046=21...(9) HA ILE 50 + H ASN 54 OK 56 89 - 64 - 3806/4.4=21, 3.2/4657=15...(13) HA ILE 50 - H SER 66 poor 6 40 - 15 - 3.0/3543=2, 3.0/900=2...(7) HA PHE 52 - H SER 66 lone 4 51 - 7 - 3.6/903=2, 2.9/1039=2 HA3 GLY 69 - H ASN 54 lone 2 97 - 2 - HA2 GLY 69 - H ASN 54 lone 2 97 - 2 - HA3 GLY 69 - H SER 66 lone 1 47 - 1 - HA2 GLY 69 - H SER 66 lone 1 46 - 1 - Peak 1046 from nnoeabs.peaks (8.94, 8.29, 117.45 ppm; 5.31 A): 1 out of 2 assignments used, quality = 0.77: * H PHE 52 + H ASN 54 OK 77 100 - 78 - 259/4.6=36, 3.6/1047=29...(10) H PHE 52 - H SER 66 poor 8 51 - 15 - 1039=3, 4.6/903=3...(4) Peak 1047 from nnoeabs.peaks (4.02, 8.29, 117.45 ppm; 4.46 A): 2 out of 6 assignments used, quality = 0.76: * HA TRP 51 + H ASN 54 OK 73 100 - 73 - 3813/4.1=27, 3.6/1046=20...(9) HB2 SER 30 + H ASN 54 OK 12 99 - 12 - 3812/4.1=3, 3814/4.1=3...(4) HA TRP 51 - H SER 66 lone 5 51 - 10 - 3.6/1039=2, 3813/2675=1 HB THR 14 - H ASN 54 lone 4 63 - 6 - 3812/4.1=1, 4664/5.1=1 HB2 SER 30 - H SER 66 lone 1 49 - 2 - HB THR 14 - H SER 66 lone 0 25 - 2 - Peak 1048 from nnoeabs.peaks (3.77, 8.29, 117.45 ppm; 4.33 A): 3 out of 14 assignments used, quality = 0.87: * HA ILE 50 + H ASN 54 OK 70 100 - 71 - 3806/4.4=25, 4649/3.6=15...(13) HA PHE 52 + H ASN 54 OK 51 89 - 58 - 3.6/265=23, 2.9/1046=21...(9) HA ARG 34 + H ASN 54 OK 10 90 - 11 - 4649/3.6=3, 3807/4.4=2...(4) HA GLN 15 - H ASN 54 lone 8 83 - 10 - 4649/3.6=2, 3.0/760=1...(4) HA ILE 50 - H SER 66 poor 8 51 - 15 - 3.0/3543=2, 3.0/900=2...(7) HD3 PRO 32 - H ASN 54 lone 4 68 - 5 - 4649/3.6=1 HA PHE 52 - H SER 66 lone 3 40 - 7 - 3.6/903=2, 2.9/1039=2 HA3 GLY 69 - H ASN 54 lone 1 65 - 2 - HA2 GLY 69 - H ASN 54 lone 1 63 - 2 - HA ARG 34 - H SER 66 lone 1 41 - 2 - HA GLN 15 - H SER 66 lone 1 36 - 2 - HD3 PRO 32 - H SER 66 lone 0 28 - 1 - HA3 GLY 69 - H SER 66 lone 0 27 - 1 - HA2 GLY 69 - H SER 66 lone 0 25 - 1 - Peak 1052 from nnoeabs.peaks (3.76, 8.07, 122.80 ppm; 4.36 A): 2 out of 4 assignments used, quality = 0.72: * HA PHE 52 + H ARG 55 OK 67 100 - 67 - 3817=41, 3818/4.0=19...(6) HA ILE 50 + H ARG 55 OK 17 89 - 19 - 1045/4.6=10, 3.6/273=5...(4) HA3 GLY 69 - H ARG 55 lone 2 97 - 2 - HA2 GLY 69 - H ARG 55 lone 2 97 - 2 - Peak 1056 from nnoeabs.peaks (8.29, 7.75, 117.78 ppm; 4.99 A): 3 out of 5 assignments used, quality = 0.60: * H ASN 54 + H ARG 56 OK 49 100 - 49 - 4.6/279=26, 3.6/1057=21...(5) H TRP 51 + H ARG 56 OK 14 60 - 23 - 5.7/4673=6, 4.1/4626=5...(5) H ARG 21 + H ARG 56 OK 10 89 - 12 - 4134/4.6=4, 4.1/773=2...(5) H SER 66 - H ARG 56 lone 8 93 - 8 - 273/4.5=2, 4.0/1057=2 H LYS 62 - H ARG 56 lone 5 99 - 5 - Peak 1057 from nnoeabs.peaks (3.94, 7.75, 117.78 ppm; 4.82 A): 2 out of 6 assignments used, quality = 0.81: * HA GLN 53 + H ARG 56 OK 77 100 - 77 - 3824=31, 3826/3.9=20...(7) HA GLN 47 + H ARG 56 OK 17 81 - 21 - 3.6/1059=5, 3.0/279=4...(8) HB2 SER 66 - H ARG 56 lone 7 100 - 7 - 4.0/1056=2, 3826/3.9=2 HB2 SER 65 - H ARG 56 lone 7 99 - 7 - 4.5/1056=2, 3826/3.9=2 HB3 SER 12 - H ARG 56 lone 5 97 - 6 - 3826/3.9=2, 3828/3.9=1 HD2 PRO 32 - H ARG 56 lone 3 71 - 3 - Peak 1059 from nnoeabs.peaks (7.68, 7.75, 117.78 ppm; 4.80 A): 4 out of 4 assignments used, quality = 0.86: * H LYS 58 + H ARG 56 OK 76 100 - 76 - 1066/3.6=30, 4.5/906=27...(9) H VAL 48 + H ARG 56 OK 21 100 - 21 - 3838/3.6=4, 3.6/1057=4...(7) H LYS 39 + H ARG 56 OK 17 100 - 17 - 3843/3.0=5, 3838/3.6=3...(4) HE22 GLN 47 + H ARG 56 OK 12 96 - 12 - 3838/3.6=3, 5.8/1057=3...(5) Peak 1062 from nnoeabs.peaks (4.36, 7.56, 119.05 ppm; 4.09 A): 4 out of 20 assignments used, quality = 0.76: * HA ASN 54 + H TYR 57 OK 50 100 - 51 - 3831=19, 3832/4.0=13...(6) HA LEU 68 + H TYR 57 OK 28 99 - 28 - 3831=10, 3832/4.0=6...(5) HA LYS 22 + H GLU 18 OK 20 75 - 26 - ~961=7, ~3697=6, ~958=3...(8) HA LYS 22 + H TYR 57 OK 17 100 - 17 - 4709/4.4=5, 3835/4.0=4...(5) HA LEU 41 - H GLU 18 poor 8 65 - 13 - 4.0/4437=7, 4.0/38=3...(4) HA HIS 13 - H GLU 18 poor 8 56 - 15 - 3664/4.6=8, 3661/932=4 HA ASN 54 - H GLU 18 poor 8 76 - 10 - 3831=4, ~3692=1...(4) HA LEU 64 - H TYR 57 lone 7 85 - 8 - 3831=2, 3835/4.0=1...(4) HA LEU 41 - H TYR 57 lone 6 92 - 6 - 3835/4.0=1, 3833/4.0=1 HA HIS 13 - H TYR 57 lone 4 83 - 5 - 3661/932=1 HA LEU 68 - H GLU 18 lone 4 73 - 5 - 3831=2 HA ASN 40 - H GLU 18 lone 3 61 - 6 - 936/4.6=1, 4424/4437=1 HA ASN 40 - H TYR 57 lone 3 89 - 3 - HA LEU 64 - H GLU 18 lone 2 58 - 4 - 3831=1 HA PRO 32 - H GLU 18 lone 2 45 - 5 - 3.6/941=1 HB2 SER 12 - H TYR 57 lone 2 85 - 2 - HA LYS 49 - H TYR 57 lone 2 65 - 3 - HA PRO 32 - H TYR 57 lone 2 68 - 3 - HB2 SER 12 - H GLU 18 lone 2 58 - 3 - HA LYS 49 - H GLU 18 lone 1 43 - 2 - Peak 1064 from nnoeabs.peaks (4.08, 7.68, 119.80 ppm; 3.74 A): 1 out of 1 assignment used, quality = 0.63: HA LYS 58 + H LYS 58 OK 63 63 - 100 - 3.0=100 Reference assignment not found: HA ARG 56 - H LYS 58 Peak 1065 from nnoeabs.peaks (7.75, 7.68, 119.80 ppm; 4.10 A): 2 out of 3 assignments used, quality = 0.89: H THR 59 + H LYS 58 OK 69 78 - 88 - 4.6=70, 302/3.0=22...(8) * H ARG 56 + H LYS 58 OK 65 100 - 65 - 3.6/1066=22, 906/4.5=20...(9) QD PHE 52 - H LYS 58 lone 3 100 - 3 - 287/4.5=2 Peak 1066 from nnoeabs.peaks (3.43, 7.68, 119.80 ppm; 4.74 A): 1 out of 1 assignment used, quality = 0.69: * HA ARG 55 + H LYS 58 OK 69 100 - 69 - 3840/4.0=25, 3838=23...(6) Peak 4001 from nnoeabs.peaks (2.48, 7.92, 111.33 ppm; 5.01 A): 3 out of 5 assignments used, quality = 0.79: HG3 GLN 15 + H THR 14 OK 53 100 - 53 - 5.0/866=27, 3364/923=15...(7) HB2 GLN 15 + H THR 14 OK 49 78 - 63 - 4.0/866=34, 4.7/923=27...(6) HG3 MET 11 + H THR 14 OK 14 100 - 14 - 511/4.6=4, 24/923=3...(5) HB2 ASN 54 - H THR 14 lone 6 99 - 6 - 3812/3.9=2, 3.4/866=1 HG2 GLU 20 - H THR 14 lone 4 85 - 4 - Peak 4012 from nnoeabs.peaks (9.37, 7.51, 120.36 ppm; 4.88 A): 1 out of 1 assignment used, quality = 0.83: H SER 12 + H GLN 15 OK 83 100 - 83 - 4700=34, 4014/4.0=30...(8) Peak 4016 from nnoeabs.peaks (1.02, 7.51, 120.36 ppm; 4.65 A): 2 out of 3 assignments used, quality = 0.90: QG2 VAL 16 + H GLN 15 OK 69 98 - 71 - 4.0/867=34, 2.1/4018=22...(9) QG1 VAL 16 + H GLN 15 OK 67 97 - 70 - 4.0/867=34, 2.1/4018=22...(8) QG1 VAL 48 - H GLN 15 lone 7 71 - 10 - 4567=2, 4020/4.0=1...(4) Peak 4017 from nnoeabs.peaks (2.00, 7.51, 120.36 ppm; 4.95 A): 3 out of 9 assignments used, quality = 0.97: HB2 MET 11 + H GLN 15 OK 70 100 - 70 - 4.3/4012=27, 4729/4.6=25...(9) HB3 GLU 18 + H GLN 15 OK 66 100 - 66 - 4094/4.0=12, 3674/3.0=11...(16) HB2 GLU 18 + H GLN 15 OK 66 100 - 66 - 4094/4.0=12, 3672/3.0=11...(16) HG2 PRO 32 - H GLN 15 OK 20 90 - 21 - 1.8/4018=5, 2.3/510=3...(8) HB3 GLN 26 - H GLN 15 OK 16 71 - 23 - 3.0/510=4, 3.0/510=4...(10) HB2 GLN 26 - H GLN 15 OK 16 71 - 23 - 3.0/510=4, 3.0/510=4...(10) HB3 GLN 63 - H GLN 15 OK 11 100 - 10 - 1.8/4018=3, 3672/3.0=2 HB3 ARG 21 - H GLN 15 poor 9 63 - 14 - 4056/4.6=3, 4.5/927=2...(5) HD3 ARG 55 - H GLN 15 lone 5 68 - 7 - 4022/4.0=2, 4056/4.6=1 Peak 4018 from nnoeabs.peaks (2.08, 7.51, 120.36 ppm; 4.86 A): 3 out of 6 assignments used, quality = 0.77: HB VAL 16 + H GLN 15 OK 70 100 - 70 - 3.9/867=38, 2.1/4016=19...(6) HG3 PRO 32 + H GLN 15 OK 14 81 - 17 - 2.3/510=3, 3.8/924=3...(7) HB2 LYS 22 + H GLN 15 OK 10 81 - 13 - 2.9/4143=4, 4.0/927=3...(4) HB2 GLN 63 - H GLN 15 lone 9 100 - 8 - 1.8/4017=2, ~3674=1...(4) HB2 GLU 67 - H GLN 15 lone 3 98 - 3 - HG3 GLU 45 - H GLN 15 lone 3 99 - 3 - Peak 4031 from nnoeabs.peaks (1.89, 7.79, 112.24 ppm; 4.65 A): 2 out of 4 assignments used, quality = 0.95: HB2 LYS 42 + HE21 GLN 15 OK 83 100 - 84 - 4468=45, 1.8/4032=35...(6) HG LEU 41 + HE21 GLN 15 OK 69 76 - 91 - 2.1/4436=32, 3.0/4435=27...(17) HB2 GLU 33 - HE21 GLN 15 lone 7 99 - 7 - 4309/4033=2, 4038/1.7=1 HB3 LYS 49 - HE21 GLN 15 lone 3 98 - 3 - Peak 4032 from nnoeabs.peaks (2.16, 7.79, 112.24 ppm; 4.10 A): 2 out of 4 assignments used, quality = 0.72: HB3 LYS 42 + HE21 GLN 15 OK 68 98 - 70 - 4469=31, 1.8/4468=29...(5) HB2 GLN 53 + HE21 GLN 15 OK 11 96 - 11 - 4039/1.7=5, 4469=5 HB VAL 48 - HE21 GLN 15 lone 4 100 - 4 - 4039/1.7=2, 4572/4468=1 HB2 GLU 20 - HE21 GLN 15 lone 3 100 - 3 - 4039/1.7=2 Peak 4033 from nnoeabs.peaks (1.46, 7.79, 112.24 ppm; 3.76 A): 2 out of 5 assignments used, quality = 0.90: HG LEU 43 + HE21 GLN 15 OK 86 99 - 88 - 2.1/4494=30, 4037/1.7=27...(11) HB3 LEU 29 + HE21 GLN 15 OK 25 100 - 25 - 4037/1.7=7, 3.0/4035=6...(8) QB ALA 35 - HE21 GLN 15 lone 3 76 - 4 - 4363/4468=1 HG3 LYS 58 - HE21 GLN 15 lone 2 98 - 2 - HG3 ARG 56 - HE21 GLN 15 lone 2 97 - 2 - Peak 4034 from nnoeabs.peaks (0.84, 7.79, 112.24 ppm; 3.67 A): 3 out of 4 assignments used, quality = 0.91: QD2 LEU 43 + HE21 GLN 15 OK 88 98 - 90 - 4497/1.7=38, 4494=37...(13) QD2 LEU 68 + HE21 GLN 15 OK 11 95 - 12 - 4041/1.7=3, ~4041=2...(5) QD1 LEU 68 + HE21 GLN 15 OK 11 90 - 12 - 4041/1.7=3, ~4041=2...(5) QD2 LEU 64 - HE21 GLN 15 lone 5 100 - 5 - 4041/1.7=1 Peak 4035 from nnoeabs.peaks (0.75, 7.79, 112.24 ppm; 4.77 A): 1 out of 2 assignments used, quality = 0.96: QD2 LEU 41 + HE21 GLN 15 OK 96 100 - 96 - 4436=41, 3.1/4435=27...(22) HG LEU 29 - HE21 GLN 15 OK 39 97 - 41 - 3.0/4033=9, 4029/3.5=7...(12) Peak 4036 from nnoeabs.peaks (0.67, 7.79, 112.24 ppm; 4.62 A): 2 out of 3 assignments used, quality = 0.89: QD1 LEU 43 + HE21 GLN 15 OK 86 89 - 97 - 2.1/4494=41, 2.1/4493=36...(14) HB2 ARG 55 + HE21 GLN 15 OK 25 78 - 32 - 4026/3.5=8, 4030/3.5=7...(6) QD1 ILE 17 - HE21 GLN 15 lone 3 63 - 5 - 4081/5.9=2, ~4823=1 Peak 4037 from nnoeabs.peaks (1.47, 6.69, 112.24 ppm; 3.84 A): 2 out of 5 assignments used, quality = 0.92: HG LEU 43 + HE22 GLN 15 OK 90 100 - 90 - 2.1/4497=38, 4498=29...(11) HB3 LEU 29 + HE22 GLN 15 OK 24 99 - 24 - 4033/1.7=8, ~4035=4...(8) QB ALA 35 - HE22 GLN 15 lone 3 87 - 3 - HG3 LYS 58 - HE22 GLN 15 lone 2 93 - 2 - HG3 ARG 56 - HE22 GLN 15 lone 2 92 - 2 - Peak 4038 from nnoeabs.peaks (1.88, 6.69, 112.24 ppm; 4.68 A): 2 out of 6 assignments used, quality = 0.96: HG LEU 41 + HE22 GLN 15 OK 84 93 - 90 - ~4436=25, ~4435=23...(18) HB2 LYS 42 + HE22 GLN 15 OK 77 98 - 79 - 4468/1.7=37, 1.8/4039=34...(5) HB2 GLU 33 - HE22 GLN 15 lone 6 100 - 6 - 4309/4037=2, 4031/1.7=2 HB3 LYS 49 - HE22 GLN 15 lone 3 100 - 3 - HB3 ARG 34 - HE22 GLN 15 lone 3 78 - 3 - 4225/4037=1 HG2 ARG 21 - HE22 GLN 15 lone 2 78 - 2 - Peak 4039 from nnoeabs.peaks (2.16, 6.69, 112.24 ppm; 4.23 A): 2 out of 4 assignments used, quality = 0.76: HB3 LYS 42 + HE22 GLN 15 OK 73 100 - 73 - 4469/1.7=31, 4655=29...(6) HB2 GLN 53 + HE22 GLN 15 OK 13 99 - 13 - 4655=7, 4032/1.7=5 HB2 GLU 20 - HE22 GLN 15 lone 4 99 - 4 - 4032/1.7=2, 4655=1 HB VAL 48 - HE22 GLN 15 lone 4 99 - 4 - 4032/1.7=2 Peak 4040 from nnoeabs.peaks (0.65, 6.69, 112.24 ppm; 4.46 A): 1 out of 3 assignments used, quality = 0.95: QD1 LEU 43 + HE22 GLN 15 OK 95 100 - 96 - 2.1/4497=46, 2.1/4498=35...(13) HB2 ARG 55 - HE22 GLN 15 OK 28 100 - 28 - 4030/3.5=7, 4026/3.5=6...(5) HG2 LYS 27 - HE22 GLN 15 lone 4 87 - 4 - Peak 4041 from nnoeabs.peaks (0.85, 6.69, 112.24 ppm; 3.43 A): 1 out of 4 assignments used, quality = 0.87: QD2 LEU 43 + HE22 GLN 15 OK 87 100 - 87 - 4497=46, 4494/1.7=27...(12) QD2 LEU 68 - HE22 GLN 15 lone 10 100 - 10 - 4034/1.7=3, ~4034=2...(5) QD1 LEU 68 - HE22 GLN 15 lone 10 99 - 10 - 4034/1.7=3, ~4034=2...(5) QD2 LEU 64 - HE22 GLN 15 lone 4 99 - 4 - 4034/1.7=1 Peak 4055 from nnoeabs.peaks (1.84, 7.83, 117.36 ppm; 4.52 A): 4 out of 9 assignments used, quality = 0.92: HB ILE 17 + H VAL 16 OK 72 100 - 73 - 4.0/27=30, 3.2/4083=25...(10) HB3 MET 11 + H VAL 16 OK 61 99 - 61 - 1.8/4729=33, 4715/4.0=16...(7) HG2 ARG 21 + H VAL 16 OK 18 89 - 21 - 3394/4.5=4, 3.0/4056=3...(8) HD2 LYS 22 + H VAL 16 OK 11 76 - 14 - 4061/4.0=2, 3.5/516=2...(7) HG LEU 41 - H VAL 16 poor 10 71 - 14 - 4823/3364=5, ~3679=3, 3.0/22=3 HB3 GLN 47 - H VAL 16 lone 4 90 - 4 - HB3 ARG 34 - H VAL 16 lone 3 89 - 4 - HB2 LYS 60 - H VAL 16 lone 3 99 - 3 - HB2 LYS 62 - H VAL 16 lone 2 93 - 2 - Peak 4056 from nnoeabs.peaks (1.98, 7.83, 117.36 ppm; 4.50 A): 5 out of 10 assignments used, quality = 0.94: HB2 MET 11 + H VAL 16 OK 69 96 - 72 - 4729=34, 4712/4.0=15...(10) HB3 GLU 18 + H VAL 16 OK 42 97 - 43 - 3.9/932=17, 3674/3.6=9...(9) HB2 GLU 18 + H VAL 16 OK 42 97 - 43 - 3.9/932=17, 3674/3.6=9...(9) HB3 ARG 21 + H VAL 16 OK 28 92 - 31 - 4060/4.0=4, 1371/3.0=4...(12) HB2 ARG 21 + H VAL 16 OK 26 87 - 30 - 4060/4.0=4, 4064/4.0=4...(11) HD3 ARG 55 - H VAL 16 OK 16 95 - 17 - 4060/4.0=5, 4064/4.0=5...(4) HG2 PRO 32 - H VAL 16 OK 15 100 - 15 - 3.8/930=3, 2.3/23=3...(6) HD3 LYS 22 - H VAL 16 OK 11 73 - 15 - 4060/4.0=3, 4064/4.0=2...(7) HB3 GLN 63 - H VAL 16 lone 8 96 - 8 - 4.6/932=2, 1.8/516=2, 3674/3.6=1 HB3 GLU 67 - H VAL 16 lone 4 71 - 5 - Peak 4105 from nnoeabs.peaks (1.01, 7.98, 124.25 ppm; 4.94 A): 3 out of 3 assignments used, quality = 0.92: QG2 VAL 16 + H LEU 19 OK 75 100 - 75 - 4767/4.0=20, 3.2/945=19...(13) QG1 VAL 48 + H LEU 19 OK 46 95 - 49 - 4825/4.7=15, 4118/4.7=9...(9) QG1 VAL 16 + H LEU 19 OK 45 76 - 59 - 3.2/945=19, 4063/4.0=11...(10) Peak 4120 from nnoeabs.peaks (1.03, 8.41, 118.68 ppm; 4.37 A): 2 out of 2 assignments used, quality = 0.84: QG1 VAL 16 + H GLU 20 OK 67 100 - 67 - 3.2/3683=21, 4059/5.0=13...(11) QG2 VAL 16 + H GLU 20 OK 52 85 - 61 - 3.2/3683=21, 4767/4.4=11...(12) Peak 4125 from nnoeabs.peaks (7.25, 8.41, 118.68 ppm; 4.94 A): 1 out of 1 assignment used, quality = 0.93: HZ2 TRP 51 + H GLU 20 OK 93 100 - 94 - 2.5/4126=38, 4684/3.0=36...(12) Peak 4126 from nnoeabs.peaks (6.45, 8.41, 118.68 ppm; 4.77 A): 1 out of 1 assignment used, quality = 0.95: HH2 TRP 51 + H GLU 20 OK 95 99 - 95 - 4681=46, 4131/3.0=44...(10) Peak 4127 from nnoeabs.peaks (6.45, 4.21, 118.68 ppm; 6.00 A): 0 out of 0 assignments used, low quality = 0.00: Peak 4134 from nnoeabs.peaks (7.57, 8.31, 121.06 ppm; 4.86 A): 2 out of 2 assignments used, quality = 0.85: H GLU 18 + H ARG 21 OK 81 93 - 87 - 3.0/3692=34, 3.6/956=33...(19) H TYR 57 + H ARG 21 OK 17 100 - 17 - 949/4.6=3, 4.6/1056=2...(5) Peak 4135 from nnoeabs.peaks (0.81, 8.31, 121.06 ppm; 4.72 A): 2 out of 2 assignments used, quality = 0.90: QG2 ILE 17 + H ARG 21 OK 84 99 - 85 - 3.2/956=34, 4.3/4134=20...(17) QD1 ILE 50 + H ARG 21 OK 39 92 - 43 - 4806/4.7=9, 4808/4.7=8...(9) Peak 4147 from nnoeabs.peaks (0.94, 8.03, 120.92 ppm; 4.63 A): 4 out of 4 assignments used, quality = 0.91: QD2 LEU 37 + H LYS 22 OK 56 85 - 66 - 4388/4.0=11, 4149/2.9=11...(15) QG2 VAL 48 + H LYS 22 OK 52 92 - 57 - 3.2/960=8, 4149/2.9=8...(16) QG2 ILE 50 + H LYS 22 OK 42 76 - 56 - 4149/2.9=9, 4150/4.0=7...(15) QD1 LEU 37 + H LYS 22 OK 28 68 - 41 - ~4149=8, 3.8/3758=5...(12) Peak 4179 from nnoeabs.peaks (4.35, 7.63, 118.44 ppm; 4.64 A): 2 out of 9 assignments used, quality = 0.57: HA LYS 22 + H HIS 25 OK 51 100 - 52 - 4161/3.9=26, 4180/3.9=15...(4) HA LEU 68 + H HIS 25 OK 11 90 - 12 - 4180/3.9=3, 4181/3.9=2...(5) HA ASN 54 - H HIS 25 lone 8 99 - 8 - 4180/3.9=2, 4181/3.9=2...(4) HA LEU 41 - H HIS 25 lone 7 99 - 7 - 4180/3.9=2, 4181/3.9=2 HA LYS 49 - H HIS 25 lone 3 85 - 4 - 4180/3.9=1, 4181/3.9=1 HA ASN 40 - H HIS 25 lone 3 71 - 5 - HB2 SER 12 - H HIS 25 lone 2 65 - 4 - HA LEU 64 - H HIS 25 lone 2 65 - 4 - HA HIS 13 - H HIS 25 lone 1 63 - 2 - Peak 4186 from nnoeabs.peaks (4.75, 8.51, 121.11 ppm; 3.89 A): 0 out of 1 assignment used, low quality = 0.00: HA PHE 23 - H GLN 26 lone 8 100 - 8 - 3.6/878=8 Peak 4190 from nnoeabs.peaks (4.60, 7.40, 113.37 ppm; 4.32 A): 2 out of 2 assignments used, quality = 0.71: HA LEU 29 + HE21 GLN 26 OK 65 93 - 70 - 4191/1.7=35, 4.0/4195=28...(10) HA SER 12 + HE21 GLN 26 OK 19 96 - 19 - 4191/1.7=9, 4192/4.6=3...(5) Peak 4191 from nnoeabs.peaks (4.59, 7.64, 113.37 ppm; 3.67 A): 2 out of 2 assignments used, quality = 0.66: HA LEU 29 + HE22 GLN 26 OK 61 100 - 61 - 4.0/4196=22, 4190/1.7=21...(11) HA SER 12 + HE22 GLN 26 OK 15 100 - 15 - 4190/1.7=6, 4188/3.5=2...(5) Peak 4195 from nnoeabs.peaks (0.46, 7.40, 113.37 ppm; 3.91 A): 1 out of 1 assignment used, quality = 0.83: QD2 LEU 29 + HE21 GLN 26 OK 83 100 - 83 - 4196/1.7=40, 4253=37...(11) Peak 4196 from nnoeabs.peaks (0.47, 7.64, 113.37 ppm; 3.56 A): 1 out of 1 assignment used, quality = 0.76: QD2 LEU 29 + HE22 GLN 26 OK 76 99 - 77 - 4251=32, 4195/1.7=30...(12) Peak 4199 from nnoeabs.peaks (7.13, 8.12, 119.98 ppm; 4.50 A): 3 out of 4 assignments used, quality = 0.80: QD TYR 28 + H LYS 27 OK 70 100 - 70 - 4663=32, 4666/4.0=24...(7) QD TYR 57 + H LYS 27 OK 22 95 - 23 - 4206/4.0=5, 4204/4.0=4...(7) HD1 TRP 51 + H LYS 27 OK 17 98 - 17 - 4206/4.0=3, 4204/4.0=3...(7) HD2 HIS 13 - H LYS 27 lone 5 97 - 5 - 4206/4.0=1, 4622/6.1=1 Peak 4213 from nnoeabs.peaks (4.49, 7.50, 113.08 ppm; 4.54 A): 1 out of 2 assignments used, quality = 0.60: HA GLN 26 + H TYR 28 OK 60 100 - 60 - 92/4.6=32, 3.0/4220=13...(5) HA GLN 26 - HD21 ASN 54 lone 3 54 - 6 - 3.6/879=1 Peak 4218 from nnoeabs.peaks (2.29, 7.50, 113.08 ppm; 4.28 A): 2 out of 14 assignments used, quality = 0.89: HG3 GLN 26 + H TYR 28 OK 66 100 - 67 - 3.9/4213=23, 4.9/99=18...(9) HG2 GLN 26 + H TYR 28 OK 66 100 - 67 - 3.9/4213=23, 4.9/99=18...(9) HG2 GLN 15 - H TYR 28 lone 10 99 - 9 - 1168=4, 1.8/1176=2, 4024/4.1=1 HG3 GLN 26 - HD21 ASN 54 lone 4 55 - 7 - 3.9/4213=1, 4782=1, 1.8/4782=1 HG2 GLN 26 - HD21 ASN 54 lone 4 55 - 7 - 3.9/4213=1, 4782=1, 1.8/4782=1 HG2 GLU 18 - H TYR 28 lone 2 92 - 2 - HG2 GLN 15 - HD21 ASN 54 lone 2 53 - 4 - 1168=1, 1.8/1176=1 HB3 PRO 32 - H TYR 28 lone 2 89 - 2 - HB3 GLU 33 - H TYR 28 lone 2 68 - 2 - 4310/4252=1 HG2 GLU 67 - H TYR 28 lone 1 97 - 1 - HG2 GLU 18 - HD21 ASN 54 lone 1 46 - 1 - HB3 PRO 32 - HD21 ASN 54 lone 1 44 - 1 - HG2 GLU 67 - HD21 ASN 54 lone 1 50 - 1 - HB3 GLU 33 - HD21 ASN 54 lone 0 31 - 1 - Peak 4220 from nnoeabs.peaks (2.02, 7.50, 113.08 ppm; 4.66 A): 2 out of 20 assignments used, quality = 0.91: HB2 GLN 26 + H TYR 28 OK 70 100 - 70 - 3.0/4213=32, 4.7/99=23...(7) HB3 GLN 26 + H TYR 28 OK 70 100 - 70 - 3.0/4213=32, 4.7/99=23...(7) HB3 GLN 26 - HD21 ASN 54 lone 4 55 - 7 - 3.0/4213=2, 4.7/879=1 HB2 GLN 26 - HD21 ASN 54 lone 4 55 - 7 - 3.0/4213=2, 4.7/879=1 HB2 GLU 45 - H TYR 28 lone 2 83 - 3 - 4.6/99=1 HB3 ARG 56 - H TYR 28 lone 2 96 - 2 - HB3 GLU 45 - H TYR 28 lone 2 78 - 3 - 4.6/99=1 HB2 MET 11 - H TYR 28 lone 2 63 - 3 - 4.3/4700=1 HB3 GLU 20 - H TYR 28 lone 2 90 - 2 - HB2 GLU 18 - H TYR 28 lone 2 60 - 3 - HB3 GLU 18 - H TYR 28 lone 2 60 - 3 - HB3 GLU 20 - HD21 ASN 54 lone 1 45 - 3 - ~1322=1 HB2 MET 11 - HD21 ASN 54 lone 1 28 - 4 - ~4730=1 HB3 GLN 63 - H TYR 28 lone 1 63 - 2 - HB3 ARG 56 - HD21 ASN 54 lone 1 49 - 2 - HB2 GLU 45 - HD21 ASN 54 lone 1 40 - 2 - HB3 GLU 45 - HD21 ASN 54 lone 1 37 - 2 - HB2 GLU 18 - HD21 ASN 54 lone 0 27 - 2 - HB3 GLU 18 - HD21 ASN 54 lone 0 27 - 2 - HB3 GLN 63 - HD21 ASN 54 lone 0 28 - 2 - Peak 4257 from nnoeabs.peaks (7.64, 8.98, 118.86 ppm; 4.90 A): 2 out of 3 assignments used, quality = 0.72: HE22 GLN 26 + H SER 30 OK 69 99 - 70 - 4861=42, 4191/3.6=31...(6) H HIS 25 + H SER 30 OK 11 100 - 10 - 4.5/76=4, 877/4.5=3, 4251/121=2 HE22 GLN 47 - H SER 30 lone 1 60 - 2 - Peak 4258 from nnoeabs.peaks (7.21, 8.98, 118.86 ppm; 4.83 A): 1 out of 1 assignment used, quality = 0.86: H GLU 33 + H SER 30 OK 86 99 - 87 - 4300=39, 4.0/4260=28...(9) Peak 4259 from nnoeabs.peaks (8.74, 8.98, 118.86 ppm; 4.51 A): 1 out of 1 assignment used, quality = 0.80: H ARG 34 + H SER 30 OK 80 95 - 84 - 4.6/4260=22, 4246/4.4=21...(13) Peak 4260 from nnoeabs.peaks (1.89, 8.98, 118.86 ppm; 3.91 A): 1 out of 4 assignments used, quality = 0.86: HB2 GLU 33 + H SER 30 OK 86 99 - 87 - 4301=32, 3.0/4261=22...(12) HB3 LYS 49 - H SER 30 lone 10 99 - 10 - 4585/4.4=4, 4225/4.4=2 HB2 LYS 42 - H SER 30 lone 4 100 - 4 - HG LEU 41 - H SER 30 lone 3 78 - 4 - 4225/4.4=1 Peak 4261 from nnoeabs.peaks (2.22, 8.98, 118.86 ppm; 4.48 A): 1 out of 4 assignments used, quality = 0.79: HG3 GLU 33 + H SER 30 OK 79 97 - 82 - 3.0/4260=31, 4304=29...(9) HB3 GLN 53 - H SER 30 lone 3 100 - 3 - HG3 GLU 67 - H SER 30 lone 2 76 - 3 - HG2 ARG 56 - H SER 30 lone 2 73 - 3 - 1.8/118=1 Peak 4262 from nnoeabs.peaks (2.31, 8.98, 118.86 ppm; 3.35 A): 3 out of 6 assignments used, quality = 0.95: HB3 GLU 33 + H SER 30 OK 72 100 - 72 - 1.8/4260=23, 3.0/4261=16...(14) HG2 GLU 33 + H SER 30 OK 63 99 - 64 - 1.8/4261=19, 3.0/4260=18...(13) HB3 PRO 32 + H SER 30 OK 47 99 - 47 - 3.6/4258=13, 4302=9...(12) HG3 GLN 26 - H SER 30 OK 16 68 - 24 - 3.5/4861=11, 4188/3.6=3...(6) HG2 GLN 26 - H SER 30 OK 15 65 - 24 - 3.5/4861=11, 4188/3.6=3...(6) HG2 GLN 15 - H SER 30 lone 5 89 - 5 - 4024/4.4=2, 4223/4.4=1 Peak 4270 from nnoeabs.peaks (3.91, 9.18, 123.12 ppm; 4.18 A): 1 out of 6 assignments used, quality = 0.98: HD2 PRO 32 + H ALA 31 OK 98 100 - 98 - 4.8=66, 4273/2.9=32...(15) HA THR 46 - H ALA 31 lone 8 97 - 9 - 4273/2.9=3, ~3725=2...(4) HA LYS 27 - H ALA 31 lone 3 97 - 3 - 4265/4.4=1 HA GLN 53 - H ALA 31 lone 2 73 - 3 - HB2 SER 65 - H ALA 31 lone 1 89 - 2 - HB2 SER 66 - H ALA 31 lone 1 60 - 1 - Peak 4271 from nnoeabs.peaks (3.80, 9.18, 123.12 ppm; 4.23 A): 2 out of 5 assignments used, quality = 0.99: HD3 PRO 32 + H ALA 31 OK 97 100 - 97 - 4.8=69, 1.8/4285=37...(15) HA ARG 34 + H ALA 31 OK 65 95 - 69 - ~3720=14, 4274/2.9=14...(13) HA GLN 15 - H ALA 31 lone 5 98 - 4 - HA THR 14 - H ALA 31 lone 3 97 - 3 - HA ILE 50 - H ALA 31 lone 1 60 - 2 - Peak 4300 from nnoeabs.peaks (8.98, 7.21, 117.78 ppm; 4.65 A): 2 out of 2 assignments used, quality = 0.89: H SER 30 + H GLU 33 OK 86 100 - 86 - 4258=44, 4260/4.0=26...(9) H PHE 23 + H GLU 33 OK 22 93 - 24 - 4301/4.0=5, 4828/4.7=5...(8) Peak 4314 from nnoeabs.peaks (1.24, 8.73, 121.67 ppm; 3.91 A): 2 out of 6 assignments used, quality = 0.95: HB2 LEU 29 + H ARG 34 OK 92 99 - 92 - 4245=33, 1.8/4246=26...(19) HB2 LEU 43 + H ARG 34 OK 34 97 - 35 - 4317/2.9=12, 4324/3.9=6...(9) HD2 LYS 27 - H ARG 34 lone 7 99 - 7 - 1.8/626=2, 4317/2.9=1 QG2 THR 46 - H ARG 34 lone 7 93 - 7 - 4.0/884=3, 4324/3.9=1 HG LEU 19 - H ARG 34 lone 6 100 - 6 - 5.2/977=2, 4324/3.9=1 QG2 THR 14 - H ARG 34 lone 4 60 - 6 - 4317/2.9=3 Peak 4315 from nnoeabs.peaks (0.45, 8.73, 121.67 ppm; 4.74 A): 1 out of 1 assignment used, quality = 0.97: QD2 LEU 29 + H ARG 34 OK 97 99 - 98 - 2.1/4316=41, 3.1/4245=34...(20) Peak 4316 from nnoeabs.peaks (0.16, 8.73, 121.67 ppm; 4.41 A): 1 out of 1 assignment used, quality = 0.96: QD1 LEU 29 + H ARG 34 OK 96 99 - 97 - 4326/2.9=39, 2.1/4315=33...(16) Peak 4351 from nnoeabs.peaks (2.07, 8.15, 120.97 ppm; 4.47 A): 3 out of 9 assignments used, quality = 0.97: HG3 GLU 45 + H ALA 35 OK 84 100 - 84 - 4527/3.0=26, 4516/2.9=22...(16) HB3 GLU 45 + H ALA 35 OK 62 78 - 79 - 3.0/3520=12, ~4527=12...(17) HB2 GLU 45 + H ALA 35 OK 58 73 - 79 - 3.0/3520=12, ~4527=12...(17) HG3 PRO 32 - H ALA 35 OK 30 57 - 52 - 3.8/980=21, 5.0/979=20...(7) HB2 LYS 22 - H ALA 35 OK 14 96 - 14 - 4.0/962=3, ~4360=2...(7) HB VAL 16 - H ALA 35 OK 11 99 - 10 - 4.4/885=3, 3366/4.6=2 HB2 GLU 67 - H ALA 35 lone 6 87 - 7 - 1.8/3644=2, ~4361=1 HB3 GLU 20 - H ALA 35 lone 5 63 - 7 - 3.0/981=3 HB2 GLN 63 - H ALA 35 lone 4 98 - 4 - Peak 4352 from nnoeabs.peaks (2.33, 8.15, 120.97 ppm; 5.08 A): 3 out of 4 assignments used, quality = 0.98: HB3 GLU 33 + H ALA 35 OK 76 98 - 78 - 4.6/139=36, 4.0/979=32...(9) HB3 PRO 32 + H ALA 35 OK 69 87 - 80 - 3.6/979=34, 2.3/980=32...(11) HG2 GLU 33 + H ALA 35 OK 67 100 - 67 - 5.0/979=26, 3457/4.6=24...(8) HG2 GLN 15 - H ALA 35 lone 3 63 - 4 - Peak 4353 from nnoeabs.peaks (3.19, 8.15, 120.97 ppm; 4.55 A): 3 out of 6 assignments used, quality = 0.87: HB2 HIS 36 + H ALA 35 OK 60 100 - 61 - 4.0/147=25, 4.6/989=18...(7) HB3 HIS 36 + H ALA 35 OK 60 100 - 61 - 4.0/147=25, 4.6/989=18...(7) HD2 ARG 21 + H ALA 35 OK 18 92 - 20 - 2.9/142=4, 2.9/144=4...(7) HB2 HIS 13 - H ALA 35 lone 3 65 - 5 - 3.0/980=2 HB2 HIS 10 - H ALA 35 lone 3 90 - 3 - HB3 TYR 57 - H ALA 35 lone 2 85 - 3 - Peak 4366 from nnoeabs.peaks (1.71, 7.99, 118.30 ppm; 4.68 A): 6 out of 22 assignments used, quality = 0.88: HD3 LYS 39 + H HIS 36 OK 45 85 - 54 - ~4368=11, ~4788=10...(17) HD2 LYS 39 + H HIS 36 OK 45 85 - 54 - ~4368=11, ~4788=10...(17) HB3 LEU 37 + H HIS 36 OK 44 85 - 52 - 4.0/886=25, 4.4/987=19...(6) HD2 LYS 49 + H HIS 36 OK 12 97 - 12 - 2432/3.0=2, ~4367=1...(5) HD2 LYS 42 + H HIS 36 OK 12 99 - 12 - 2186/3.6=5, 641/4.7=2, 158/987=1 HD3 LYS 49 + H HIS 36 OK 11 97 - 12 - 2432/3.0=2, ~4367=1...(5) HG2 LYS 22 - H HIS 36 lone 6 100 - 6 - 641/4.7=2 HB3 LYS 58 - H HIS 36 lone 5 87 - 6 - ~4788=2, 641/4.7=1 HB2 ARG 56 - H HIS 36 lone 5 99 - 5 - 3.0/985=1 HG2 LYS 22 - H ILE 17 lone 5 57 - 9 - ~3688=2, 289/4.6=1, ~4068=1 HB3 LEU 37 - H ILE 17 poor 5 42 - 11 - 4.0/150=2, 4.4/994=2...(4) HG13 ILE 50 - H HIS 36 lone 4 81 - 5 - 4.0/983=1 HB2 ARG 56 - H ILE 17 lone 3 54 - 6 - 4.6/32=2 HB3 ARG 61 - H HIS 36 lone 3 93 - 3 - HD2 LYS 39 - H ILE 17 lone 2 42 - 5 - HD3 LYS 39 - H ILE 17 lone 2 42 - 5 - HB3 LYS 58 - H ILE 17 lone 1 43 - 3 - HG13 ILE 50 - H ILE 17 lone 1 39 - 3 - HD2 LYS 42 - H ILE 17 lone 1 54 - 2 - HD2 LYS 49 - H ILE 17 lone 1 52 - 2 - HB3 ARG 61 - H ILE 17 lone 1 48 - 2 - HD3 LYS 49 - H ILE 17 lone 1 51 - 2 - Peak 4389 from nnoeabs.peaks (1.33, 8.07, 120.69 ppm; 4.45 A): 4 out of 6 assignments used, quality = 0.88: QB ALA 38 + H LEU 37 OK 71 93 - 77 - 2.9/887=38, 3.6/999=15...(16) HG2 ARG 34 + H LEU 37 OK 38 97 - 39 - 4.0/3739=17, 4331/4.5=6...(9) HG3 LYS 42 + H LEU 37 OK 19 73 - 27 - 3.9/988=6, 4.9/181=5...(7) HG2 LYS 42 + H LEU 37 OK 19 73 - 27 - 3.9/988=6, 4.9/181=5...(7) HG2 LYS 58 - H LEU 37 poor 8 60 - 14 - 4.9/992=3, 2.8/641=2...(5) HD3 LYS 27 - H LEU 37 lone 6 100 - 6 - Peak 4399 from nnoeabs.peaks (1.93, 8.44, 119.33 ppm; 4.38 A): 3 out of 4 assignments used, quality = 0.96: HB3 LYS 39 + H ALA 38 OK 73 100 - 73 - 3.9/162=32, 4.1/1004=21...(10) HB2 LYS 39 + H ALA 38 OK 73 100 - 73 - 3.9/162=32, 4.1/1004=21...(10) HB2 ARG 34 + H ALA 38 OK 39 96 - 41 - 3.0/3744=23, ~4412=8...(7) HB ILE 50 - H ALA 38 OK 22 97 - 22 - 2.1/160=8, 3.0/996=6...(4) Peak 4400 from nnoeabs.peaks (3.19, 8.44, 119.33 ppm; 5.04 A): 2 out of 6 assignments used, quality = 0.88: HB2 HIS 36 + H ALA 38 OK 65 100 - 66 - 4.6/887=32, 3.0/3750=26...(5) HB3 HIS 36 + H ALA 38 OK 65 100 - 66 - 4.6/887=32, 3.0/3750=26...(5) HD2 ARG 21 - H ALA 38 lone 6 97 - 6 - ~4414=1, 6.3/52=1 HB3 TYR 57 - H ALA 38 lone 5 76 - 7 - 4.7/888=4 HB2 HIS 10 - H ALA 38 lone 3 96 - 3 - HB2 HIS 13 - H ALA 38 lone 2 76 - 2 - Peak 4416 from nnoeabs.peaks (0.97, 7.67, 116.42 ppm; 4.73 A): 2 out of 2 assignments used, quality = 0.89: QD1 LEU 37 + H LYS 39 OK 75 100 - 75 - 3477/4.5=21, 4405/3.6=16...(14) QG2 VAL 48 + H LYS 39 OK 55 93 - 59 - 4405/3.6=13, 2376=11...(13) Peak 4417 from nnoeabs.peaks (2.75, 7.67, 116.42 ppm; 4.97 A): 1 out of 3 assignments used, quality = 0.48: HB2 ASN 40 + H LYS 39 OK 48 87 - 55 - 3.9/165=27, 4.2/1008=14...(8) HE3 LYS 27 - H LYS 39 lone 9 87 - 10 - 3.0/164=2, 5.2/652=1...(4) HB3 TYR 28 - H LYS 39 lone 2 63 - 2 - Peak 4419 from nnoeabs.peaks (1.36, 8.02, 117.69 ppm; 4.46 A): 5 out of 7 assignments used, quality = 0.78: QB ALA 38 + H ASN 40 OK 60 89 - 68 - 2.9/1004=27, 3.6/165=24...(9) HG2 LYS 58 + H ASN 40 OK 19 100 - 19 - 3.0/170=3, 3.0/170=3...(7) HG13 ILE 17 + H ASN 40 OK 14 93 - 15 - 1232=3, 2.1/1239=3...(5) HG3 LYS 42 + H ASN 40 OK 11 99 - 11 - 3.9/4467=2, 4418/3.6=2...(5) HG2 LYS 42 + H ASN 40 OK 11 99 - 11 - 3.9/4467=2, 4418/3.6=2...(5) HG2 ARG 34 - H ASN 40 poor 9 83 - 11 - 164/4.7=2, 4576/4420=2...(4) HD3 LYS 27 - H ASN 40 lone 6 63 - 10 - 3.0/660=2, 3.8/169=2...(4) Peak 4420 from nnoeabs.peaks (0.95, 8.02, 117.69 ppm; 4.58 A): 2 out of 2 assignments used, quality = 0.91: QD1 LEU 37 + H ASN 40 OK 79 97 - 81 - 4382/3.9=27, 3.8/3758=19...(15) QG2 VAL 48 + H ASN 40 OK 56 100 - 56 - 4429/3.9=10, 4465/4.6=10...(15) Peak 4421 from nnoeabs.peaks (0.74, 8.02, 117.69 ppm; 5.03 A): 3 out of 3 assignments used, quality = 0.93: QD2 LEU 41 + H ASN 40 OK 76 97 - 79 - 4447/3.9=28, 4.8/175=26...(12) QD1 LEU 41 + H ASN 40 OK 62 83 - 76 - 4.8/175=26, 4424/3.0=16...(16) HG LEU 29 + H ASN 40 OK 21 100 - 21 - 669/4.6=5, 4424/3.0=4...(6) Peak 4431 from nnoeabs.peaks (4.07, 7.29, 110.97 ppm; 4.55 A): 3 out of 8 assignments used, quality = 0.86: HA LEU 37 + HD21 ASN 40 OK 73 100 - 73 - 3759/3.5=34, 3761/3.5=32...(5) HA LYS 39 + HD21 ASN 40 OK 40 89 - 45 - 3.6/662=27, 4432/1.7=9...(5) HA ARG 21 + HD21 ASN 40 OK 18 99 - 18 - 3.6/379=5, 4432/1.7=4...(5) HA GLU 33 - HD21 ASN 40 lone 10 99 - 10 - 3762/3.5=2, 3760/3.5=2...(4) HB THR 46 - HD21 ASN 40 lone 9 100 - 9 - 3762/3.5=2, 3760/3.5=2...(4) HA ARG 56 - HD21 ASN 40 lone 5 92 - 5 - 4432/1.7=1 HB THR 14 - HD21 ASN 40 lone 5 83 - 5 - 4432/1.7=1, 3762/3.5=1 HA SER 24 - HD21 ASN 40 lone 4 95 - 4 - Peak 4432 from nnoeabs.peaks (4.07, 6.52, 110.97 ppm; 4.96 A): 4 out of 8 assignments used, quality = 0.89: HA LEU 37 + HD22 ASN 40 OK 74 100 - 74 - 3759/3.5=38, 3761/3.5=36...(4) HA LYS 39 + HD22 ASN 40 OK 44 89 - 50 - 3.6/663=31, 4431/1.7=11...(4) HA ARG 21 + HD22 ASN 40 OK 20 99 - 20 - 3.6/385=5, 4431/1.7=5...(5) HA GLU 33 + HD22 ASN 40 OK 11 99 - 11 - 3762/3.5=3, 3760/3.5=3...(4) HB THR 46 - HD22 ASN 40 lone 10 100 - 10 - 4431/1.7=2, 3760/3.5=2...(4) HA ARG 56 - HD22 ASN 40 lone 6 92 - 6 - 4431/1.7=1, 3760/3.5=1 HB THR 14 - HD22 ASN 40 lone 5 83 - 6 - 4431/1.7=1, 3762/3.5=1 HA SER 24 - HD22 ASN 40 lone 5 95 - 5 - 4431/1.7=1 Peak 4433 from nnoeabs.peaks (0.95, 7.29, 110.97 ppm; 4.61 A): 2 out of 2 assignments used, quality = 0.68: QD1 LEU 37 + HD21 ASN 40 OK 55 97 - 57 - 4382/3.5=29, 4429/3.5=20...(4) QG2 VAL 48 + HD21 ASN 40 OK 29 100 - 28 - 4429/3.5=11, 4420/5.2=9...(4) Peak 4434 from nnoeabs.peaks (8.34, 8.06, 116.05 ppm; 4.45 A): 2 out of 3 assignments used, quality = 0.76: H LEU 43 + H LEU 41 OK 71 97 - 74 - 4.4/891=27, 4499=21...(16) H ARG 21 + H LEU 41 OK 17 63 - 27 - 892/4.6=5, 2.9/1007=5...(9) H SER 65 - H LEU 41 lone 4 92 - 4 - Peak 4441 from nnoeabs.peaks (3.99, 8.06, 116.05 ppm; 4.51 A): 3 out of 6 assignments used, quality = 0.79: HA LYS 42 + H LEU 41 OK 66 99 - 66 - 3.0/891=38, 3.6/4434=22...(9) HA ALA 35 + H LEU 41 OK 26 100 - 26 - 3745=6, 3.6/886=5...(8) HA GLN 47 + H LEU 41 OK 16 63 - 25 - 3.6/1008=8, 3.0/2329=5...(6) HB3 SER 24 - H LEU 41 lone 4 92 - 4 - 3.0/1007=1 HB2 SER 24 - H LEU 41 lone 4 89 - 4 - 3.0/1007=1 HB2 SER 30 - H LEU 41 lone 2 73 - 2 - Peak 4465 from nnoeabs.peaks (0.95, 8.06, 116.05 ppm; 4.66 A): 2 out of 2 assignments used, quality = 0.95: QD1 LEU 37 + H LEU 41 OK 85 97 - 88 - 4382/4.2=26, 4429/4.2=18...(18) QG2 VAL 48 + H LEU 41 OK 67 100 - 67 - 4459/4.8=10, 4420/4.6=10...(18) Peak 4466 from nnoeabs.peaks (4.08, 7.90, 117.73 ppm; 4.08 A): 5 out of 7 assignments used, quality = 0.84: HA LYS 39 + H LYS 42 OK 52 99 - 53 - 4893=30, 3770/4.6=7...(12) HA ARG 21 + H LYS 42 OK 32 100 - 32 - 3716/3.0=8, 2.9/892=7...(10) HA LEU 37 + H LYS 42 OK 31 92 - 34 - 3.0/181=7, 1010/4.6=5...(11) HA GLU 33 + H LYS 42 OK 21 100 - 20 - 4893=10, 3737/4.6=2...(5) HA ARG 56 + H LYS 42 OK 13 100 - 13 - 3716/3.0=3, 4486/4.4=2...(4) HB THR 46 - H LYS 42 lone 7 92 - 8 - 4.5/181=3, 3522/4.6=2 HA SER 24 - H LYS 42 lone 6 100 - 6 - 3.0/672=1, 3.0/672=1 Peak 4470 from nnoeabs.peaks (0.95, 8.33, 119.56 ppm; 4.35 A): 2 out of 2 assignments used, quality = 0.84: QG2 VAL 48 + H LEU 43 OK 67 100 - 67 - 4472/4.0=18, 4476/4.0=18...(11) QD1 LEU 37 + H LEU 43 OK 51 98 - 52 - 4472/4.0=10, 4476/4.0=10...(13) Peak 4471 from nnoeabs.peaks (0.74, 8.33, 119.56 ppm; 4.91 A): 4 out of 4 assignments used, quality = 0.83: QD2 LEU 41 + H LEU 43 OK 57 96 - 60 - 186/4.4=21, 4.8/4434=19...(7) QD1 LEU 41 + H LEU 43 OK 45 87 - 53 - 4.8/4434=19, 187/4.4=15...(8) HG LEU 29 + H LEU 43 OK 19 100 - 18 - 3.0/685=5, 186/4.4=4...(6) HB2 LEU 19 + H LEU 43 OK 10 63 - 16 - 3.0/683=5, 4.0/947=3...(6) Peak 4485 from nnoeabs.peaks (3.60, 8.33, 119.56 ppm; 3.75 A): 2 out of 2 assignments used, quality = 0.76: HA ALA 38 + H LEU 43 OK 69 98 - 71 - 4393=31, 2.1/4394=20...(9) HA VAL 48 + H LEU 43 OK 23 71 - 32 - 3.2/4470=13, 4488/4.0=8...(5) Peak 4486 from nnoeabs.peaks (4.08, 8.33, 119.56 ppm; 4.48 A): 5 out of 8 assignments used, quality = 0.72: HA LYS 39 + H LEU 43 OK 37 100 - 37 - 4893/4.4=17, 5.0/4394=16...(4) HA ARG 21 + H LEU 43 OK 28 93 - 30 - 3716/3.6=8, 4466/4.4=5...(11) HA LEU 37 + H LEU 43 OK 21 71 - 30 - 3.8/4470=12, 3.0/4499=7...(6) HA GLU 33 + H LEU 43 OK 13 95 - 14 - 4893/4.4=6, 3.0/190=3 HA ARG 56 + H LEU 43 OK 12 100 - 12 - 3716/3.6=3, 4466/4.4=2 HB THR 46 - H LEU 43 poor 8 71 - 12 - 4.5/4499=6, 2.1/683=2 HA SER 24 - H LEU 43 lone 5 99 - 5 - HA LYS 58 - H LEU 43 lone 4 76 - 5 - 4.0/685=1, 4.0/3502=1 Peak 4499 from nnoeabs.peaks (8.06, 8.33, 119.56 ppm; 4.38 A): 3 out of 5 assignments used, quality = 0.91: H LEU 41 + H LEU 43 OK 76 99 - 77 - 4434=34, 4.6/188=27...(16) H GLN 47 + H LEU 43 OK 43 96 - 45 - 4562/4.5=22, 218/4.0=6...(12) H LEU 37 + H LEU 43 OK 36 100 - 36 - 4.5/4470=10, 988/3.6=6...(9) H ARG 55 - H LEU 43 lone 8 97 - 8 - 764/4.8=3, 4.0/687=1 H GLN 53 - H LEU 43 lone 3 57 - 6 - Peak 4500 from nnoeabs.peaks (8.05, 8.84, 109.64 ppm; 4.53 A): 2 out of 7 assignments used, quality = 0.93: H GLN 47 + H THR 44 OK 90 99 - 90 - 4562=48, 4.0/4564=29...(13) H LEU 41 + H THR 44 OK 33 97 - 35 - 4434/4.5=18, 4.0/201=4...(10) H LEU 37 - H THR 44 OK 17 81 - 22 - 4.5/4505=9, 4499/4.5=4...(8) H LYS 22 - H THR 44 OK 14 90 - 15 - 58/4.5=3, 63/4.6=2...(6) H ASN 40 - H THR 44 poor 7 63 - 11 - 4.7/4501=5, 4419/4396=2...(4) H ARG 55 - H THR 44 lone 5 60 - 8 - 4.0/204=2, 764/4.7=2 H GLN 53 - H THR 44 lone 4 96 - 4 - Peak 4501 from nnoeabs.peaks (7.70, 8.84, 109.64 ppm; 5.05 A): 2 out of 4 assignments used, quality = 0.78: H VAL 48 + H THR 44 OK 70 89 - 79 - 4.7/4564=30, 4.6/4562=30...(9) H LYS 39 + H THR 44 OK 25 68 - 37 - 3.6/4396=27, 897/4562=3...(7) H THR 59 - H THR 44 poor 8 73 - 10 - 4.0/691=7 H LYS 58 - H THR 44 lone 5 81 - 6 - 4.9/202=1 Peak 4505 from nnoeabs.peaks (0.95, 8.84, 109.64 ppm; 4.71 A): 2 out of 2 assignments used, quality = 0.86: QG2 VAL 48 + H THR 44 OK 72 100 - 72 - 4472/4.6=19, 4480/4.7=18...(10) QD1 LEU 37 + H THR 44 OK 50 99 - 51 - 4470/4.5=11, 4480/4.7=11...(10) Peak 4506 from nnoeabs.peaks (1.83, 8.84, 109.64 ppm; 4.18 A): 3 out of 9 assignments used, quality = 0.94: HB3 GLN 47 + H THR 44 OK 90 98 - 92 - 4564=48, 1.8/4563=35...(12) HB3 MET 11 + H THR 44 OK 28 100 - 28 - 4845/4.7=7, 4477/4.6=6...(7) HD2 LYS 22 + H THR 44 OK 16 90 - 18 - 4845/4.7=3, 4477/4.6=3...(9) HB ILE 17 - H THR 44 lone 9 100 - 9 - 4070/4.6=3, 4477/4.6=1...(4) HB2 ARG 61 - H THR 44 lone 3 73 - 4 - HG2 ARG 21 - H THR 44 lone 3 73 - 4 - 1372/4.5=2, 1.8/201=1 HB2 LYS 62 - H THR 44 lone 3 99 - 3 - HB3 ARG 34 - H THR 44 lone 3 73 - 4 - 3.0/201=1, 4790/4505=1 HB2 LYS 60 - H THR 44 lone 3 100 - 2 - Peak 4507 from nnoeabs.peaks (2.41, 8.84, 109.64 ppm; 4.50 A): 2 out of 8 assignments used, quality = 0.95: HG3 GLN 47 + H THR 44 OK 90 99 - 91 - 4566=39, 3.0/4564=35...(11) HG2 GLU 45 + H THR 44 OK 49 97 - 51 - 2297/4.6=25, 4526/2.9=21...(7) HG2 MET 11 - H THR 44 OK 25 76 - 34 - 4720/4.7=12, 4492/4.7=9...(8) HG3 GLU 18 - H THR 44 OK 10 100 - 10 - 4566=2, 4092/4.6=2 HB3 LYS 22 - H THR 44 poor 8 60 - 13 - 3.5/4506=3, 4492/4.7=2...(6) HD2 ARG 55 - H THR 44 lone 6 100 - 5 - 3.7/204=2 HG3 GLU 20 - H THR 44 lone 3 93 - 4 - HG2 GLN 53 - H THR 44 lone 1 60 - 2 - Peak 4508 from nnoeabs.peaks (2.57, 8.84, 109.64 ppm; 3.71 A): 2 out of 2 assignments used, quality = 0.92: HB2 GLN 47 + H THR 44 OK 81 96 - 85 - 1.8/4564=31, 4563=28...(11) HG2 GLN 47 + H THR 44 OK 59 81 - 73 - 3.0/4564=25, 3.0/4563=22...(9) Peak 4510 from nnoeabs.peaks (1.33, 9.24, 121.30 ppm; 4.03 A): 3 out of 6 assignments used, quality = 0.86: QB ALA 38 + H GLU 45 OK 70 96 - 73 - 4397=32, 4413/3.6=21...(9) HG2 ARG 34 + H GLU 45 OK 46 98 - 47 - 4511/3.0=13, 4517/4.7=9...(8) HD3 LYS 27 + H GLU 45 OK 11 100 - 11 - 4511/3.0=3, 1656/4.6=3...(4) HG3 LYS 42 - H GLU 45 poor 10 78 - 12 - 4511/3.0=3, ~3773=2...(5) HG2 LYS 42 - H GLU 45 poor 10 78 - 12 - 4511/3.0=3, ~3773=2...(5) HG2 LYS 58 - H GLU 45 lone 2 65 - 4 - Peak 4531 from nnoeabs.peaks (4.66, 8.14, 115.25 ppm; 4.18 A): 1 out of 3 assignments used, quality = 0.55: HA THR 44 + H THR 46 OK 55 100 - 55 - 3.0/4799=33, 3.6/209=30 HA MET 11 - H THR 46 lone 4 100 - 4 - 3.8/213=1, 206/4.6=1 HA HIS 10 - H THR 46 lone 1 60 - 1 - Peak 4539 from nnoeabs.peaks (0.95, 8.05, 120.26 ppm; 4.28 A): 3 out of 3 assignments used, quality = 0.88: QG2 VAL 48 + H GLN 47 OK 69 99 - 69 - 4.1/1015=23, 714/4.6=21...(11) QD1 LEU 37 + H GLN 47 OK 51 89 - 57 - 4552/4.0=9, 1972=7...(15) QD2 LEU 37 + H GLN 47 OK 25 63 - 39 - 2.1/1972=7, 3.8/217=7...(9) Peak 4541 from nnoeabs.peaks (2.16, 8.05, 120.26 ppm; 4.53 A): 3 out of 4 assignments used, quality = 0.76: HB VAL 48 + H GLN 47 OK 63 100 - 63 - 712/4.6=26, 4.4/1015=24...(7) HB3 LYS 42 + H GLN 47 OK 23 99 - 23 - 4.7/4499=6, 4.0/181=4...(8) HB2 GLN 53 + H GLN 47 OK 17 97 - 17 - 1.8/2639=2, 3.0/3823=2...(9) HB2 GLU 20 - H GLN 47 lone 9 100 - 9 - 4.1/873=1, 3.0/707=1 Peak 4557 from nnoeabs.peaks (1.94, 6.91, 112.23 ppm; 4.92 A): 6 out of 9 assignments used, quality = 0.79: HB ILE 50 + HE21 GLN 47 OK 58 99 - 59 - 2.1/4597=15, 3785/5.8=14...(9) HD3 LYS 22 + HE21 GLN 47 OK 15 87 - 17 - 4560/1.7=5, 4484/4496=4...(6) HB2 ARG 34 + HE21 GLN 47 OK 14 100 - 14 - 4484/4496=4, 4545/4.6=3...(4) HB3 LYS 39 + HE21 GLN 47 OK 13 87 - 15 - 4545/4.6=3, 3785/5.8=3...(7) HB2 LYS 39 + HE21 GLN 47 OK 12 83 - 15 - 4545/4.6=3, 3785/5.8=3...(7) HB2 ARG 21 + HE21 GLN 47 OK 10 73 - 14 - ~4560=4, 4560/1.7=4...(4) HB3 ARG 21 - HE21 GLN 47 poor 9 65 - 14 - ~4560=4, 4560/1.7=4...(4) HB3 GLU 67 - HE21 GLN 47 lone 4 89 - 4 - 4560/1.7=1 HD3 ARG 55 - HE21 GLN 47 lone 3 60 - 5 - 4560/1.7=2, 4484/4496=1 Peak 4558 from nnoeabs.peaks (0.86, 6.91, 112.23 ppm; 3.73 A): 4 out of 4 assignments used, quality = 0.81: QD2 LEU 43 + HE21 GLN 47 OK 63 100 - 63 - 4496=27, 4848/1.7=17...(11) QD2 LEU 68 + HE21 GLN 47 OK 25 100 - 25 - 4559/1.7=7, ~4559=4...(9) QD1 LEU 68 + HE21 GLN 47 OK 24 100 - 24 - 4559/1.7=7, ~4559=4...(9) QD2 LEU 64 + HE21 GLN 47 OK 11 98 - 10 - 4559/1.7=3, 4548/4.6=2...(5) Peak 4559 from nnoeabs.peaks (0.86, 7.67, 112.23 ppm; 4.12 A): 4 out of 4 assignments used, quality = 0.90: QD2 LEU 43 + HE22 GLN 47 OK 74 100 - 75 - 4496/1.7=33, 4848=25...(12) QD2 LEU 68 + HE22 GLN 47 OK 32 100 - 33 - 4558/1.7=9, ~4558=5...(11) QD1 LEU 68 + HE22 GLN 47 OK 32 100 - 32 - 4558/1.7=8, ~4558=6...(11) QD2 LEU 64 + HE22 GLN 47 OK 14 98 - 14 - 4558/1.7=4, 4548/4.6=2...(5) Peak 4560 from nnoeabs.peaks (1.96, 7.67, 112.23 ppm; 4.47 A): 0 out of 8 assignments used, low quality = 0.40: HB ILE 50 - HE22 GLN 47 OK 32 73 - 43 - ~4597=10, 4557/1.7=10...(8) HD3 LYS 22 - HE22 GLN 47 OK 13 100 - 13 - 1.8/446=3, 4557/1.7=3...(6) HB2 ARG 21 - HE22 GLN 47 lone 9 99 - 9 - 3.0/3843=3, 4557/1.7=2...(4) HB3 ARG 21 - HE22 GLN 47 lone 9 98 - 9 - 3.0/3843=3, ~4557=2...(4) HB2 ARG 34 - HE22 GLN 47 poor 8 78 - 10 - 4484/4848=3, 4557/1.7=3 HD3 ARG 55 - HE22 GLN 47 lone 4 97 - 5 - 5.0/3838=2 HB3 GLU 67 - HE22 GLN 47 lone 3 100 - 3 - HG2 PRO 32 - HE22 GLN 47 lone 1 81 - 2 - Peak 4562 from nnoeabs.peaks (8.85, 8.05, 120.26 ppm; 4.12 A): 1 out of 1 assignment used, quality = 0.77: H THR 44 + H GLN 47 OK 77 98 - 78 - 4564/4.0=24, 4563/4.0=20...(13) Peak 4568 from nnoeabs.peaks (1.34, 7.68, 118.72 ppm; 4.83 A): 5 out of 6 assignments used, quality = 0.92: HG2 ARG 34 + H VAL 48 OK 64 100 - 64 - 4331/4.0=18, 4576/4.0=17...(11) QB ALA 38 + H VAL 48 OK 61 100 - 61 - 4409/3.8=15, 4405/4.0=14...(13) HD3 LYS 27 + H VAL 48 OK 20 99 - 20 - 4574/4.0=3, 4570/3.8=3...(7) HG3 LYS 42 + H VAL 48 OK 13 93 - 14 - 2.9/712=3, 4570/3.8=2...(5) HG2 LYS 42 + H VAL 48 OK 13 93 - 14 - 2.9/712=3, 4570/3.8=2...(5) HG2 LYS 58 - H VAL 48 poor 9 85 - 11 - 1.8/2863=3, 2.8/222=1...(4) Peak 4589 from nnoeabs.peaks (3.29, 8.54, 121.11 ppm; 4.52 A): 3 out of 5 assignments used, quality = 0.97: HD3 ARG 34 + H LYS 49 OK 82 90 - 91 - 4344=41, 1.8/4345=30...(13) HB3 TRP 51 + H LYS 49 OK 60 99 - 60 - 4.1/1031=25, 3793/3.6=18...(11) HB2 PHE 52 + H LYS 49 OK 53 97 - 56 - 3798/3.0=13, 1.8/4590=12...(9) HB3 HIS 13 - H LYS 49 lone 3 95 - 3 - HB3 HIS 25 - H LYS 49 lone 3 78 - 3 - Peak 4590 from nnoeabs.peaks (3.53, 8.54, 121.11 ppm; 4.54 A): 3 out of 3 assignments used, quality = 0.94: HD2 ARG 34 + H LYS 49 OK 81 92 - 89 - 1.8/4344=39, 4345=28...(12) HB3 PHE 52 + H LYS 49 OK 51 100 - 51 - 3800/3.0=16, 1.8/4589=10...(8) HB2 TRP 51 + H LYS 49 OK 36 65 - 55 - 4.1/1031=25, 3790/3.6=15...(6) Peak 4616 from nnoeabs.peaks (3.24, 9.95, 128.50 ppm; 4.84 A): 2 out of 3 assignments used, quality = 0.90: HA VAL 16 + HE1 TRP 51 OK 88 96 - 92 - 3.2/4048=34, 3.2/4047=34...(13) HD3 ARG 21 + HE1 TRP 51 OK 20 100 - 20 - 4727/2.8=7, 3.5/4619=6...(4) HB2 HIS 13 - HE1 TRP 51 lone 2 71 - 3 - 4727/2.8=1 Peak 4617 from nnoeabs.peaks (2.47, 9.95, 128.50 ppm; 5.01 A): 3 out of 5 assignments used, quality = 0.86: HG2 GLU 20 + HE1 TRP 51 OK 76 100 - 77 - 4132/2.8=39, ~4133=23...(8) HB2 ASN 54 + HE1 TRP 51 OK 26 99 - 27 - 3812/6.4=15, 4688/2.8=4...(5) HG3 MET 11 + HE1 TRP 51 OK 20 90 - 22 - 4723/4047=6, 4691/5.0=4...(6) HG3 GLN 15 - HE1 TRP 51 lone 5 89 - 6 - 4067/4047=2, 4691/5.0=1 HG2 GLN 53 - HE1 TRP 51 lone 2 57 - 4 - 4629/2.8=1 Peak 4618 from nnoeabs.peaks (2.06, 9.95, 128.50 ppm; 4.95 A): 2 out of 9 assignments used, quality = 0.97: HB VAL 16 + HE1 TRP 51 OK 92 97 - 95 - 2.1/4048=42, 2.1/4047=41...(11) HB3 GLU 20 + HE1 TRP 51 OK 59 76 - 78 - ~4132=21, ~4688=20...(9) HB2 LYS 22 - HE1 TRP 51 OK 12 99 - 12 - 3.5/4619=4, ~4677=2...(4) HB2 GLU 67 - HE1 TRP 51 lone 7 76 - 9 - 1.8/4619=3, ~4677=2...(4) HB3 ARG 56 - HE1 TRP 51 lone 4 65 - 6 - ~4676=2, ~4675=1, ~4673=1 HB3 GLU 45 - HE1 TRP 51 lone 3 89 - 3 - HB2 GLU 45 - HE1 TRP 51 lone 3 85 - 3 - HB2 GLN 63 - HE1 TRP 51 lone 2 93 - 2 - HG3 GLU 45 - HE1 TRP 51 lone 2 99 - 2 - Peak 4619 from nnoeabs.peaks (1.96, 9.95, 128.50 ppm; 4.11 A): 5 out of 8 assignments used, quality = 0.83: HD3 ARG 55 + HE1 TRP 51 OK 52 92 - 57 - 4836/2.8=17, 4677/2.6=15...(12) HB2 ARG 21 + HE1 TRP 51 OK 27 97 - 28 - 4677/2.6=6, 3.5/4616=4...(11) HB3 ARG 21 + HE1 TRP 51 OK 25 95 - 27 - 4677/2.6=5, 3.5/4616=4...(9) HB ILE 50 + HE1 TRP 51 OK 22 83 - 27 - 4615/2.6=8, 4614/5.3=7...(5) HD3 LYS 22 + HE1 TRP 51 OK 15 100 - 15 - 4677/2.6=4, 4614/5.3=2...(7) HB3 GLU 67 - HE1 TRP 51 lone 8 100 - 8 - 4677/2.6=2, 1.8/4618=1 HB2 ARG 34 - HE1 TRP 51 lone 7 87 - 8 - 4615/2.6=2, 4614/5.3=1 HG2 PRO 32 - HE1 TRP 51 lone 2 71 - 3 - Peak 4620 from nnoeabs.peaks (1.03, 9.95, 128.50 ppm; 3.18 A): 2 out of 3 assignments used, quality = 0.90: QG1 VAL 16 + HE1 TRP 51 OK 71 99 - 72 - 4048=19, 4043/2.8=18...(13) QG2 VAL 16 + HE1 TRP 51 OK 67 95 - 71 - 2.1/4048=18, 4047=17...(13) QG1 VAL 48 - HE1 TRP 51 lone 2 60 - 4 - 4678/2.6=1 Peak 4624 from nnoeabs.peaks (2.14, 8.27, 121.67 ppm; 4.91 A): 4 out of 5 assignments used, quality = 0.95: HB2 LYS 49 + H TRP 51 OK 75 96 - 78 - 4.4/242=34, 4.0/1031=29...(10) HB2 GLN 53 + H TRP 51 OK 60 97 - 62 - 3804/3.6=20, 4.0/1041=20...(12) HB VAL 48 + H TRP 51 OK 38 71 - 54 - 3.0/3789=32, 4.4/1031=27...(5) HB3 LYS 42 + H TRP 51 OK 19 93 - 20 - 3804/3.6=5, 4607/4.3=4...(6) HB2 GLU 20 - H TRP 51 lone 7 71 - 9 - ~3811=4, 750/1041=1, 3804/3.6=1 Peak 4632 from nnoeabs.peaks (1.00, 8.94, 119.28 ppm; 4.71 A): 2 out of 2 assignments used, quality = 0.67: QG1 VAL 48 + H PHE 52 OK 59 100 - 59 - 3.2/3794=25, 4792/4.5=21...(5) QG2 VAL 16 + H PHE 52 OK 18 87 - 21 - 4704/4.5=9, 4731/6.5=6...(5) Peak 4657 from nnoeabs.peaks (0.92, 8.29, 117.45 ppm; 4.39 A): 3 out of 6 assignments used, quality = 0.79: QG2 ILE 50 + H ASN 54 OK 65 100 - 65 - 4661/5.1=16, 4596/5.1=16...(13) QD2 LEU 37 + H ASN 54 OK 28 100 - 28 - 4658/4.1=5, 4659/4.1=5...(8) QD1 LEU 64 + H ASN 54 OK 18 97 - 18 - 4659/4.1=4, 4658/4.1=4...(4) QG2 ILE 50 - H SER 66 poor 9 50 - 17 - 3544=3, 2.1/3543=3...(7) QD1 LEU 64 - H SER 66 poor 6 46 - 13 - 3634/4.6=11 QD2 LEU 37 - H SER 66 lone 2 51 - 3 - Peak 4660 from nnoeabs.peaks (0.91, 7.49, 112.83 ppm; 3.57 A): 3 out of 6 assignments used, quality = 0.73: QG2 ILE 50 + HD21 ASN 54 OK 62 100 - 62 - 4661/1.7=27, 4596=26...(8) QD2 LEU 37 + HD21 ASN 54 OK 18 100 - 18 - 4661/1.7=7, 4659/3.4=4...(5) QD1 LEU 64 + HD21 ASN 54 OK 14 99 - 14 - 4661/1.7=6, 4659/3.4=3...(4) QD2 LEU 37 - H TYR 28 lone 1 54 - 2 - QG2 ILE 50 - H TYR 28 lone 1 55 - 2 - QD1 LEU 64 - H TYR 28 lone 0 53 - 1 - Peak 4661 from nnoeabs.peaks (0.92, 6.91, 112.83 ppm; 3.25 A): 3 out of 3 assignments used, quality = 0.62: QG2 ILE 50 + HD22 ASN 54 OK 51 100 - 51 - 4597=21, 4660/1.7=19...(7) QD2 LEU 37 + HD22 ASN 54 OK 14 100 - 14 - 4660/1.7=6, 4659/3.4=3...(4) QD1 LEU 64 + HD22 ASN 54 OK 10 97 - 10 - 4660/1.7=4, 4659/3.4=2...(4) Peak 4664 from nnoeabs.peaks (4.02, 7.49, 112.83 ppm; 4.88 A): 2 out of 6 assignments used, quality = 0.77: HA TRP 51 + HD21 ASN 54 OK 73 100 - 73 - 3813/3.4=36, 3812/3.4=27...(8) HB2 SER 30 + HD21 ASN 54 OK 13 97 - 13 - 3812/3.4=4, 3814/3.4=4 HB THR 14 - HD21 ASN 54 lone 5 73 - 7 - 3812/3.4=2, 3814/3.4=1 HA TRP 51 - H TYR 28 lone 2 55 - 4 - HB2 SER 30 - H TYR 28 lone 2 50 - 3 - 4264/4.1=1 HB THR 14 - H TYR 28 lone 1 34 - 3 - Peak 4666 from nnoeabs.peaks (4.81, 6.91, 112.83 ppm; 4.23 A): 0 out of 1 assignment used, low quality = 0.00: HB THR 44 - HD22 ASN 54 lone 1 63 - 1 - Peak 4672 from nnoeabs.peaks (7.16, 7.75, 117.78 ppm; 4.61 A): 2 out of 4 assignments used, quality = 0.95: QE PHE 23 + H ARG 56 OK 90 97 - 93 - 4643/4.6=25, 4635=24...(16) QD TYR 57 + H ARG 56 OK 45 85 - 53 - 4.4/906=26, 4.6/1059=14...(6) HD1 TRP 51 - H ARG 56 OK 18 76 - 24 - 5.1/4673=6, 4679/4.7=5...(7) HZ PHE 52 - H ARG 56 OK 14 93 - 14 - 4835/4.7=4, 4648/4247=2...(6) Peak 4700 from nnoeabs.peaks (7.50, 9.36, 119.62 ppm; 5.22 A): 1 out of 6 assignments used, quality = 0.89: H GLN 15 + H SER 12 OK 89 100 - 89 - 4012=50, 4.0/4014=33...(8) H TYR 28 - H SER 12 lone 5 100 - 5 - 4803/3.9=2 HD21 ASN 54 - H SER 12 lone 4 87 - 4 - 4803/3.9=1 HE22 GLN 53 - H SER 12 lone 4 100 - 4 - 4803/3.9=1 QE PHE 52 - H SER 12 lone 3 73 - 4 - 4803/3.9=1 HE21 GLN 63 - H SER 12 lone 3 65 - 4 - Peak 4737 from nnoeabs.peaks (2.40, 9.36, 119.62 ppm; 4.94 A): 1 out of 7 assignments used, quality = 0.80: HG2 MET 11 + H SER 12 OK 80 93 - 86 - 3.0/3350=40, 3.8/3349=40...(5) HG3 GLU 18 - H SER 12 lone 7 99 - 7 - 3.0/8=2, 3.0/8=2 HG2 GLU 45 - H SER 12 lone 5 100 - 5 - 4526/3.6=3 HD2 ARG 55 - H SER 12 lone 2 99 - 2 - HG3 GLN 47 - H SER 12 lone 2 100 - 2 - HB3 LYS 22 - H SER 12 lone 1 83 - 2 - HG3 GLU 20 - H SER 12 lone 1 76 - 2 - Peak 4738 from nnoeabs.peaks (2.50, 9.36, 119.62 ppm; 3.90 A): 3 out of 4 assignments used, quality = 0.96: HB2 GLN 15 + H SER 12 OK 77 100 - 77 - 4013=29, 1.8/4014=28...(10) HG3 GLN 15 + H SER 12 OK 63 85 - 74 - 3.0/4014=23, 3.0/4013=21...(11) HG3 MET 11 + H SER 12 OK 57 83 - 69 - 3.0/3350=27, 3.8/3349=27...(7) HB2 ASN 54 - H SER 12 lone 2 60 - 3 - Peak 4739 from nnoeabs.peaks (1.64, 9.36, 119.62 ppm; 4.67 A): 4 out of 10 assignments used, quality = 0.92: HB3 GLN 15 + H SER 12 OK 89 100 - 89 - 4014=50, 1.8/4013=37...(9) HB3 LEU 68 + H SER 12 OK 14 99 - 14 - 4711/4.3=3, 4714/4.3=3...(6) HB2 LEU 68 + H SER 12 OK 13 100 - 13 - 4714/4.3=3, 4711/4.3=3...(6) HG LEU 68 + H SER 12 OK 10 78 - 13 - 4711/4.3=3, 4714/4.3=3...(6) HG LEU 64 - H SER 12 lone 8 100 - 8 - 3657/2.9=2, 4714/4.3=1 HB2 LEU 41 - H SER 12 lone 8 83 - 9 - 509/4012=2, 4714/4.3=2 HB3 LEU 64 - H SER 12 lone 6 83 - 8 - 4714/4.3=1, 4711/4.3=1 HB2 LEU 64 - H SER 12 lone 2 73 - 3 - HD3 LYS 42 - H SER 12 lone 2 76 - 2 - HB2 LEU 37 - H SER 12 lone 1 65 - 2 - Peak 4753 from nnoeabs.peaks (-0.27, 9.95, 128.50 ppm; 4.25 A): 3 out of 3 assignments used, quality = 0.93: QD1 LEU 19 + HE1 TRP 51 OK 63 95 - 67 - 4679/2.6=14, ~4719=14...(13) HG2 ARG 55 + HE1 TRP 51 OK 62 90 - 69 - ~4836=13, 4679/2.6=12...(19) HB3 ARG 55 + HE1 TRP 51 OK 51 97 - 53 - 4679/2.6=11, 4695/2.8=9...(14) Peak 4758 from nnoeabs.peaks (7.56, 8.94, 119.28 ppm; 4.89 A): 3 out of 4 assignments used, quality = 0.68: QE PHE 52 + H PHE 52 OK 57 65 - 88 - 6.5=43, 2.2/4728=41...(8) H TYR 57 + H PHE 52 OK 13 99 - 13 - 4.6/747=4, 287/4.5=2...(5) H GLU 18 + H PHE 52 OK 12 100 - 12 - 4797/2.9=3, 4.6/902=2...(5) HE21 GLN 63 - H PHE 52 lone 3 73 - 4 - 4797/2.9=1 Peak 4799 from nnoeabs.peaks (4.78, 8.14, 115.25 ppm; 3.19 A): 0 out of 2 assignments used, low quality = 0.41: HB THR 44 - H THR 46 OK 41 100 - 41 - 3.0/4531=16, 4.4/209=13...(5) HA PHE 23 - H THR 46 poor 8 68 - 11 - 4800/4.0=3, 3.0/875=2...(5) Peak 4828 from nnoeabs.peaks (9.00, 8.73, 121.67 ppm; 4.79 A): 2 out of 2 assignments used, quality = 0.83: H SER 30 + H ARG 34 OK 75 85 - 89 - 4259=35, 4.4/4245=27...(13) H PHE 23 + H ARG 34 OK 32 100 - 31 - 4829/3.9=10, 4300/4.7=4...(11) Peak 4852 from nnoeabs.peaks (1.69, 8.02, 117.69 ppm; 4.55 A): 4 out of 13 assignments used, quality = 0.95: HD2 LYS 39 + H ASN 40 OK 71 100 - 71 - 3.9/167=18, 3.9/167=18...(10) HD3 LYS 39 + H ASN 40 OK 71 100 - 71 - 3.9/167=18, 3.9/167=18...(10) HG3 LYS 22 + H ASN 40 OK 21 90 - 23 - 1444=4, 1.8/1434=3...(8) HG2 LYS 22 + H ASN 40 OK 18 83 - 22 - 1.8/1444=4, 1434=3...(8) HD3 LYS 49 - H ASN 40 lone 10 99 - 10 - 5.3/1006=2, 1991/3.6=1...(4) HD2 LYS 49 - H ASN 40 lone 10 98 - 10 - 5.3/1006=2, 1992/3.6=1...(4) HG13 ILE 50 - H ASN 40 lone 10 100 - 9 - 4.0/3803=1, 3.0/168=1 HD2 LYS 42 - H ASN 40 poor 8 68 - 13 - 3.0/4419=3, 3.0/4419=3...(5) HD2 LYS 60 - H ASN 40 lone 6 78 - 8 - 2.9/169=1, 2.9/169=1 HD2 LYS 62 - H ASN 40 lone 6 73 - 7 - 3.0/169=2, 3.0/169=2 HD3 LYS 60 - H ASN 40 lone 5 73 - 7 - 2.9/169=1, 2.9/169=1 HB2 ARG 56 - H ASN 40 lone 5 65 - 8 - 3.0/166=2, 3.6/661=1 HD3 LYS 62 - H ASN 40 lone 5 71 - 7 - 3.0/169=2, 3.0/169=2 Peak 4860 from nnoeabs.peaks (7.65, 7.64, 113.37 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: HE22 GLN 26 + HE22 GLN 26 OK 100 100 - 100 Peak 4861 from nnoeabs.peaks (8.98, 7.64, 113.37 ppm; 4.86 A): 2 out of 2 assignments used, quality = 0.73: H SER 30 + HE22 GLN 26 OK 69 100 - 69 - 4257=41, 3.6/4191=31...(6) H PHE 23 + HE22 GLN 26 OK 12 96 - 13 - 3443/4196=6, 4.6/876=5 Peak 4889 from nnoeabs.peaks (0.85, 8.14, 122.19 ppm; 5.00 A): 2 out of 2 assignments used, quality = 1.00: QD2 LEU 68 + H LEU 68 OK 99 99 - 100 - 4.7=100 QD1 LEU 68 + H LEU 68 OK 97 97 - 100 - 4.7=100 Peak 1068 from cnoeabs.peaks (4.69, 4.69, 56.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA HIS 10 + HA HIS 10 OK 100 100 - 100 Peak 1069 from cnoeabs.peaks (3.20, 4.69, 56.00 ppm; 3.86 A): 1 out of 1 assignment used, quality = 1.00: * HB2 HIS 10 + HA HIS 10 OK 100 100 - 100 - 3.0=100 Peak 1070 from cnoeabs.peaks (3.11, 4.69, 56.00 ppm; 3.43 A): 1 out of 1 assignment used, quality = 1.00: * HB3 HIS 10 + HA HIS 10 OK 100 100 - 100 - 3.0=100 Peak 1071 from cnoeabs.peaks (7.07, 4.69, 56.00 ppm; 4.60 A): 1 out of 1 assignment used, quality = 1.00: * HD2 HIS 10 + HA HIS 10 OK 100 100 - 100 - 4.6=100 Peak 1072 from cnoeabs.peaks (4.69, 3.20, 30.63 ppm; 3.58 A): 1 out of 1 assignment used, quality = 1.00: * HA HIS 10 + HB2 HIS 10 OK 100 100 - 100 - 3.0=100 Peak 1073 from cnoeabs.peaks (3.20, 3.20, 30.63 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB2 HIS 10 + HB2 HIS 10 OK 100 100 - 100 HB3 HIS 36 + HB3 HIS 36 OK 75 75 - 100 HB2 HIS 36 + HB2 HIS 36 OK 75 75 - 100 Peak 1074 from cnoeabs.peaks (3.11, 3.20, 30.63 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HB3 HIS 10 + HB2 HIS 10 OK 100 100 - 100 - 1.8=100 Peak 1075 from cnoeabs.peaks (7.07, 3.20, 30.63 ppm; 4.19 A): 3 out of 3 assignments used, quality = 1.00: * HD2 HIS 10 + HB2 HIS 10 OK 100 100 - 100 - 3.9=100 HD2 HIS 36 + HB3 HIS 36 OK 63 63 - 100 - 4.0=100 HD2 HIS 36 + HB2 HIS 36 OK 63 63 - 100 - 4.0=100 Peak 1076 from cnoeabs.peaks (4.69, 3.11, 30.63 ppm; 3.69 A): 1 out of 1 assignment used, quality = 1.00: * HA HIS 10 + HB3 HIS 10 OK 100 100 - 100 - 3.0=100 Peak 1077 from cnoeabs.peaks (3.20, 3.11, 30.63 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HB2 HIS 10 + HB3 HIS 10 OK 100 100 - 100 - 1.8=100 Peak 1078 from cnoeabs.peaks (3.11, 3.11, 30.63 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 HIS 10 + HB3 HIS 10 OK 100 100 - 100 Peak 1079 from cnoeabs.peaks (7.07, 3.11, 30.63 ppm; 4.48 A): 1 out of 1 assignment used, quality = 1.00: * HD2 HIS 10 + HB3 HIS 10 OK 100 100 - 100 - 3.9=100 Peak 1084 from cnoeabs.peaks (8.23, 4.66, 55.35 ppm; 4.63 A): 1 out of 1 assignment used, quality = 1.00: * H MET 11 + HA MET 11 OK 100 100 - 100 - 3.0=100 Peak 1085 from cnoeabs.peaks (4.66, 4.66, 55.35 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA MET 11 + HA MET 11 OK 100 100 - 100 Peak 1086 from cnoeabs.peaks (2.00, 4.66, 55.35 ppm; 6.00 A): 1 out of 1 assignment used, quality = 1.00: * HB2 MET 11 + HA MET 11 OK 100 100 - 100 - 3.0=100 Peak 1087 from cnoeabs.peaks (1.83, 4.66, 55.35 ppm; 6.00 A): 1 out of 1 assignment used, quality = 1.00: * HB3 MET 11 + HA MET 11 OK 100 100 - 100 - 3.0=100 Peak 1088 from cnoeabs.peaks (2.39, 4.66, 55.35 ppm; 4.22 A): 1 out of 1 assignment used, quality = 1.00: * HG2 MET 11 + HA MET 11 OK 100 100 - 100 - 3.8=100 Peak 1089 from cnoeabs.peaks (8.23, 2.00, 34.98 ppm; 5.26 A): 1 out of 1 assignment used, quality = 1.00: * H MET 11 + HB2 MET 11 OK 100 100 - 100 - 3.7=100 Peak 1090 from cnoeabs.peaks (4.66, 2.00, 34.98 ppm; 3.60 A): 1 out of 1 assignment used, quality = 1.00: * HA MET 11 + HB2 MET 11 OK 100 100 - 100 - 3.0=100 Peak 1091 from cnoeabs.peaks (2.00, 2.00, 34.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 MET 11 + HB2 MET 11 OK 100 100 - 100 Peak 1092 from cnoeabs.peaks (1.83, 2.00, 34.98 ppm; 2.71 A): 1 out of 1 assignment used, quality = 1.00: * HB3 MET 11 + HB2 MET 11 OK 100 100 - 100 - 1.8=100 Peak 1093 from cnoeabs.peaks (2.39, 2.00, 34.98 ppm; 3.60 A): 1 out of 1 assignment used, quality = 1.00: * HG2 MET 11 + HB2 MET 11 OK 100 100 - 100 - 3.0=100 Peak 1094 from cnoeabs.peaks (8.23, 1.83, 34.98 ppm; 4.63 A): 1 out of 1 assignment used, quality = 1.00: * H MET 11 + HB3 MET 11 OK 100 100 - 100 - 3.7=100 Peak 1095 from cnoeabs.peaks (4.66, 1.83, 34.98 ppm; 3.78 A): 1 out of 1 assignment used, quality = 1.00: * HA MET 11 + HB3 MET 11 OK 100 100 - 100 - 3.0=100 Peak 1096 from cnoeabs.peaks (2.00, 1.83, 34.98 ppm; 2.69 A): 1 out of 1 assignment used, quality = 1.00: * HB2 MET 11 + HB3 MET 11 OK 100 100 - 100 - 1.8=100 Peak 1097 from cnoeabs.peaks (1.83, 1.83, 34.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 MET 11 + HB3 MET 11 OK 100 100 - 100 Peak 1098 from cnoeabs.peaks (2.39, 1.83, 34.98 ppm; 3.90 A): 1 out of 1 assignment used, quality = 1.00: * HG2 MET 11 + HB3 MET 11 OK 100 100 - 100 - 3.0=100 Peak 1100 from cnoeabs.peaks (4.66, 2.39, 32.80 ppm; 3.57 A): 1 out of 3 assignments used, quality = 0.88: * HA MET 11 + HG2 MET 11 OK 88 100 - 88 - 3.8=80, 4728/1.8=25...(5) HA THR 44 - HG2 MET 11 lone 9 99 - 9 - 4728/1.8=2, ~4506=2...(5) HA HIS 10 - HG2 MET 11 lone 2 63 - 4 - 4728/1.8=3 Peak 1101 from cnoeabs.peaks (2.00, 2.39, 32.80 ppm; 3.49 A): 1 out of 1 assignment used, quality = 1.00: * HB2 MET 11 + HG2 MET 11 OK 100 100 - 100 - 3.0=100 Peak 1102 from cnoeabs.peaks (1.83, 2.39, 32.80 ppm; 3.79 A): 1 out of 1 assignment used, quality = 1.00: * HB3 MET 11 + HG2 MET 11 OK 100 100 - 100 - 3.0=100 Peak 1103 from cnoeabs.peaks (2.48, 2.39, 32.80 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HG3 MET 11 + HG2 MET 11 OK 100 100 - 100 - 1.8=100 Peak 1105 from cnoeabs.peaks (4.59, 4.59, 56.52 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 12 + HA SER 12 OK 100 100 - 100 Peak 1106 from cnoeabs.peaks (4.37, 4.59, 56.52 ppm; 6.00 A): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 12 + HA SER 12 OK 100 100 - 100 - 3.0=100 Peak 1107 from cnoeabs.peaks (3.95, 4.59, 56.52 ppm; 3.65 A): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 12 + HA SER 12 OK 100 100 - 100 - 3.0=100 Peak 1108 from cnoeabs.peaks (9.36, 4.37, 65.53 ppm; 4.29 A): 1 out of 1 assignment used, quality = 1.00: * H SER 12 + HB2 SER 12 OK 100 100 - 100 - 3.9=100 Peak 1109 from cnoeabs.peaks (4.59, 4.37, 65.53 ppm; 3.35 A): 1 out of 1 assignment used, quality = 1.00: * HA SER 12 + HB2 SER 12 OK 100 100 - 100 - 3.0=100 Peak 1110 from cnoeabs.peaks (4.37, 4.37, 65.53 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 SER 12 + HB2 SER 12 OK 100 100 - 100 HA PRO 32 + HA PRO 32 OK 70 70 - 100 Peak 1111 from cnoeabs.peaks (3.95, 4.37, 65.53 ppm; 2.71 A): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 12 + HB2 SER 12 OK 100 100 - 100 - 1.8=100 Peak 1112 from cnoeabs.peaks (9.36, 3.95, 65.53 ppm; 3.97 A): 1 out of 1 assignment used, quality = 1.00: * H SER 12 + HB3 SER 12 OK 100 100 - 100 - 3.9=100 Peak 1113 from cnoeabs.peaks (4.59, 3.95, 65.53 ppm; 3.34 A): 1 out of 1 assignment used, quality = 1.00: * HA SER 12 + HB3 SER 12 OK 100 100 - 100 - 3.0=100 Peak 1114 from cnoeabs.peaks (4.37, 3.95, 65.53 ppm; 2.84 A): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 12 + HB3 SER 12 OK 100 100 - 100 - 1.8=100 Peak 1115 from cnoeabs.peaks (3.95, 3.95, 65.53 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 12 + HB3 SER 12 OK 100 100 - 100 Peak 1116 from cnoeabs.peaks (4.38, 4.38, 59.74 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA HIS 13 + HA HIS 13 OK 100 100 - 100 Peak 1117 from cnoeabs.peaks (3.21, 4.38, 59.74 ppm; 3.39 A): 1 out of 1 assignment used, quality = 1.00: * HB2 HIS 13 + HA HIS 13 OK 100 100 - 100 - 3.0=100 Peak 1118 from cnoeabs.peaks (3.27, 4.38, 59.74 ppm; 3.34 A): 1 out of 1 assignment used, quality = 1.00: * HB3 HIS 13 + HA HIS 13 OK 100 100 - 100 - 3.0=100 Peak 1120 from cnoeabs.peaks (4.38, 3.21, 29.61 ppm; 3.71 A): 1 out of 1 assignment used, quality = 1.00: * HA HIS 13 + HB2 HIS 13 OK 100 100 - 100 - 3.0=100 Peak 1121 from cnoeabs.peaks (3.21, 3.21, 29.61 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 HIS 13 + HB2 HIS 13 OK 100 100 - 100 Peak 1122 from cnoeabs.peaks (3.27, 3.21, 29.61 ppm; 2.51 A): 1 out of 1 assignment used, quality = 1.00: * HB3 HIS 13 + HB2 HIS 13 OK 100 100 - 100 - 1.8=100 Peak 1123 from cnoeabs.peaks (7.13, 3.21, 29.61 ppm; 4.66 A): 1 out of 1 assignment used, quality = 1.00: * HD2 HIS 13 + HB2 HIS 13 OK 100 100 - 100 - 4.0=100 Peak 1124 from cnoeabs.peaks (4.38, 3.27, 29.61 ppm; 3.72 A): 1 out of 1 assignment used, quality = 1.00: * HA HIS 13 + HB3 HIS 13 OK 100 100 - 100 - 3.0=100 Peak 1125 from cnoeabs.peaks (3.21, 3.27, 29.61 ppm; 2.44 A): 1 out of 1 assignment used, quality = 1.00: * HB2 HIS 13 + HB3 HIS 13 OK 100 100 - 100 - 1.8=100 Peak 1126 from cnoeabs.peaks (3.27, 3.27, 29.61 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 HIS 13 + HB3 HIS 13 OK 100 100 - 100 Peak 1127 from cnoeabs.peaks (7.13, 3.27, 29.61 ppm; 4.04 A): 1 out of 1 assignment used, quality = 1.00: * HD2 HIS 13 + HB3 HIS 13 OK 100 100 - 100 - 4.0=100 Peak 1129 from cnoeabs.peaks (3.21, 7.13, 119.60 ppm; 4.73 A): 1 out of 1 assignment used, quality = 0.98: * HB2 HIS 13 + HD2 HIS 13 OK 98 98 - 100 - 4.0=100 Peak 1130 from cnoeabs.peaks (3.27, 7.13, 119.60 ppm; 5.19 A): 1 out of 1 assignment used, quality = 0.98: * HB3 HIS 13 + HD2 HIS 13 OK 98 98 - 100 - 4.0=100 Peak 1131 from cnoeabs.peaks (7.13, 7.13, 119.60 ppm; diagonal): 1 out of 1 assignment used, quality = 0.98: * HD2 HIS 13 + HD2 HIS 13 OK 98 98 - 100 Peak 1132 from cnoeabs.peaks (7.92, 3.81, 65.62 ppm; 4.05 A): 1 out of 1 assignment used, quality = 1.00: * H THR 14 + HA THR 14 OK 100 100 - 100 - 3.0=100 Peak 1133 from cnoeabs.peaks (3.81, 3.81, 65.62 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA THR 14 + HA THR 14 OK 100 100 - 100 Peak 1134 from cnoeabs.peaks (4.04, 3.81, 65.62 ppm; 3.47 A): 1 out of 1 assignment used, quality = 1.00: * HB THR 14 + HA THR 14 OK 100 100 - 100 - 3.0=100 Peak 1135 from cnoeabs.peaks (1.21, 3.81, 65.62 ppm; 3.44 A): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 14 + HA THR 14 OK 100 100 - 100 - 3.2=100 Peak 1136 from cnoeabs.peaks (7.92, 4.04, 68.52 ppm; 3.75 A): 1 out of 6 assignments used, quality = 0.94: * H THR 14 + HB THR 14 OK 94 100 - 94 - 3.9=86, 505/2.1=34...(4) H LYS 42 - HB THR 14 lone 4 95 - 4 - 15/4.2=2, 187/4453=1 H LYS 42 - HB THR 46 lone 2 45 - 5 - 181/4.5=2 H GLY 69 - HB THR 14 lone 2 89 - 2 - 15/4.2=1 H THR 14 - HB THR 46 lone 1 51 - 2 - H GLY 69 - HB THR 46 lone 0 40 - 1 - Peak 1137 from cnoeabs.peaks (3.81, 4.04, 68.52 ppm; 3.34 A): 1 out of 1 assignment used, quality = 1.00: * HA THR 14 + HB THR 14 OK 100 100 - 100 - 3.0=100 Peak 1138 from cnoeabs.peaks (4.04, 4.04, 68.52 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HB THR 14 + HB THR 14 OK 100 100 - 100 HB THR 46 - HB THR 46 OK 43 43 - 100 Peak 1139 from cnoeabs.peaks (1.21, 4.04, 68.52 ppm; 2.92 A): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 14 + HB THR 14 OK 100 100 - 100 - 2.1=100 Peak 1140 from cnoeabs.peaks (7.92, 1.21, 21.82 ppm; 4.10 A): 1 out of 1 assignment used, quality = 1.00: * H THR 14 + QG2 THR 14 OK 100 100 - 100 - 4.0=100 Peak 1141 from cnoeabs.peaks (3.81, 1.21, 21.82 ppm; 3.14 A): 1 out of 4 assignments used, quality = 0.97: * HA THR 14 + QG2 THR 14 OK 97 100 - 97 - 3.2=94, 3.0/505=20...(7) HA GLN 15 - QG2 THR 14 OK 24 85 - 29 - ~3358=8, ~17=8, ~4006=5...(6) HA ARG 34 - QG2 THR 14 lone 5 76 - 7 - 4317=3 HD3 PRO 32 - QG2 THR 14 lone 3 95 - 3 - Peak 1142 from cnoeabs.peaks (4.04, 1.21, 21.82 ppm; 3.02 A): 1 out of 1 assignment used, quality = 1.00: * HB THR 14 + QG2 THR 14 OK 100 100 - 100 - 2.1=100 Peak 1143 from cnoeabs.peaks (1.21, 1.21, 21.82 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 14 + QG2 THR 14 OK 100 100 - 100 Peak 1144 from cnoeabs.peaks (7.51, 3.79, 59.35 ppm; 4.05 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 15 + HA GLN 15 OK 100 100 - 100 - 3.0=100 Peak 1145 from cnoeabs.peaks (3.79, 3.79, 59.35 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLN 15 + HA GLN 15 OK 100 100 - 100 Peak 1146 from cnoeabs.peaks (2.50, 3.79, 59.35 ppm; 3.45 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 15 + HA GLN 15 OK 100 100 - 100 - 2.9=100 Peak 1147 from cnoeabs.peaks (1.63, 3.79, 59.35 ppm; 3.42 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 15 + HA GLN 15 OK 100 100 - 100 - 2.9=100 Peak 1148 from cnoeabs.peaks (2.30, 3.79, 59.35 ppm; 3.63 A): 1 out of 8 assignments used, quality = 0.96: * HG2 GLN 15 + HA GLN 15 OK 96 100 - 96 - 3.8=87, 1.8/1177=23...(12) HG2 GLU 18 - HA GLN 15 OK 33 78 - 43 - 4.9/3671=9, 4096=9...(11) HB3 PRO 32 - HA GLN 15 OK 11 97 - 12 - 510/3.0=2, 2.3/3672=2...(5) HG3 GLN 26 - HA GLN 15 OK 11 98 - 11 - 510/3.0=2, ~510=2, ~4782=1 HG2 GLN 26 - HA GLN 15 OK 11 97 - 11 - 510/3.0=2, ~510=2, ~4782=1 HB3 GLU 33 - HA GLN 15 lone 4 85 - 4 - HG2 GLU 33 - HA GLN 15 lone 2 71 - 3 - HG2 GLU 67 - HA GLN 15 lone 2 87 - 2 - Peak 1149 from cnoeabs.peaks (2.48, 3.79, 59.35 ppm; 3.55 A): 1 out of 1 assignment used, quality = 0.85: HB2 GLN 15 + HA GLN 15 OK 85 85 - 100 - 2.9=100 Reference assignment not found: HG3 GLN 15 - HA GLN 15 Peak 1152 from cnoeabs.peaks (7.51, 2.50, 28.07 ppm; 4.30 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 15 + HB2 GLN 15 OK 100 100 - 100 - 4.0=100 Peak 1153 from cnoeabs.peaks (3.79, 2.50, 28.07 ppm; 4.34 A): 1 out of 1 assignment used, quality = 1.00: * HA GLN 15 + HB2 GLN 15 OK 100 100 - 100 - 2.9=100 Peak 1154 from cnoeabs.peaks (2.50, 2.50, 28.07 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 15 + HB2 GLN 15 OK 100 100 - 100 Peak 1155 from cnoeabs.peaks (1.63, 2.50, 28.07 ppm; 3.29 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 15 + HB2 GLN 15 OK 100 100 - 100 - 1.8=100 Peak 1156 from cnoeabs.peaks (2.30, 2.50, 28.07 ppm; 4.21 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 15 + HB2 GLN 15 OK 100 100 - 100 - 3.0=100 Peak 1157 from cnoeabs.peaks (2.48, 2.50, 28.07 ppm; diagonal): 1 out of 1 assignment used, quality = 0.85: HB2 GLN 15 + HB2 GLN 15 OK 85 85 - 100 Reference assignment not found: HG3 GLN 15 - HB2 GLN 15 Peak 1160 from cnoeabs.peaks (7.51, 1.63, 28.07 ppm; 4.40 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 15 + HB3 GLN 15 OK 100 100 - 100 - 4.0=100 Peak 1161 from cnoeabs.peaks (3.79, 1.63, 28.07 ppm; 4.16 A): 1 out of 1 assignment used, quality = 1.00: * HA GLN 15 + HB3 GLN 15 OK 100 100 - 100 - 2.9=100 Peak 1162 from cnoeabs.peaks (2.50, 1.63, 28.07 ppm; 3.20 A): 2 out of 2 assignments used, quality = 1.00: * HB2 GLN 15 + HB3 GLN 15 OK 100 100 - 100 - 1.8=100 HG3 GLN 15 + HB3 GLN 15 OK 85 85 - 100 - 3.0=100 Peak 1163 from cnoeabs.peaks (1.63, 1.63, 28.07 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 15 + HB3 GLN 15 OK 100 100 - 100 Peak 1164 from cnoeabs.peaks (2.30, 1.63, 28.07 ppm; 4.37 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 15 + HB3 GLN 15 OK 100 100 - 100 - 3.0=100 Peak 1165 from cnoeabs.peaks (2.48, 1.63, 28.07 ppm; 3.38 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLN 15 + HB3 GLN 15 OK 100 100 - 100 - 3.0=100 HB2 GLN 15 + HB3 GLN 15 OK 85 85 - 100 - 1.8=100 Peak 1168 from cnoeabs.peaks (7.51, 2.30, 35.21 ppm; 4.35 A): 1 out of 6 assignments used, quality = 0.93: * H GLN 15 + HG2 GLN 15 OK 93 100 - 93 - 5.0=65, 1176/1.8=36...(9) H TYR 28 - HG2 GLN 15 lone 9 100 - 9 - 4218=3, 1176/1.8=2, 4.1/4024=1 QE PHE 52 - HG2 GLN 15 lone 5 78 - 6 - 1176/1.8=2, 19/3363=1 HD21 ASN 54 - HG2 GLN 15 lone 3 83 - 3 - 1176/1.8=1 HE22 GLN 53 - HG2 GLN 15 lone 3 100 - 3 - 1176/1.8=1 HE21 GLN 63 - HG2 GLN 15 lone 2 71 - 3 - Peak 1169 from cnoeabs.peaks (3.79, 2.30, 35.21 ppm; 3.90 A): 1 out of 1 assignment used, quality = 1.00: * HA GLN 15 + HG2 GLN 15 OK 100 100 - 100 - 3.8=100 Peak 1170 from cnoeabs.peaks (2.50, 2.30, 35.21 ppm; 3.00 A): 2 out of 2 assignments used, quality = 1.00: * HB2 GLN 15 + HG2 GLN 15 OK 100 100 - 100 - 3.0=100 HG3 GLN 15 + HG2 GLN 15 OK 85 85 - 100 - 1.8=100 Peak 1171 from cnoeabs.peaks (1.63, 2.30, 35.21 ppm; 3.75 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 15 + HG2 GLN 15 OK 100 100 - 100 - 3.0=100 Peak 1172 from cnoeabs.peaks (2.30, 2.30, 35.21 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 15 + HG2 GLN 15 OK 100 100 - 100 Peak 1173 from cnoeabs.peaks (2.48, 2.30, 35.21 ppm; 2.99 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLN 15 + HG2 GLN 15 OK 100 100 - 100 - 1.8=100 HB2 GLN 15 + HG2 GLN 15 OK 85 85 - 100 - 3.0=100 Peak 1174 from cnoeabs.peaks (7.79, 2.30, 35.21 ppm; 3.88 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 15 + HG2 GLN 15 OK 100 100 - 100 - 3.5=100 Peak 1175 from cnoeabs.peaks (6.69, 2.30, 35.21 ppm; 4.34 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 15 + HG2 GLN 15 OK 100 100 - 100 - 3.5=100 Peak 1176 from cnoeabs.peaks (7.51, 2.48, 35.21 ppm; 3.99 A): 1 out of 6 assignments used, quality = 0.90: * H GLN 15 + HG3 GLN 15 OK 90 100 - 90 - 5.0=50, 1168/1.8=27...(13) H TYR 28 - HG3 GLN 15 lone 6 100 - 6 - 1168/1.8=3 QE PHE 52 - HG3 GLN 15 lone 4 78 - 5 - 1168/1.8=1 HD21 ASN 54 - HG3 GLN 15 lone 3 83 - 3 - HE22 GLN 53 - HG3 GLN 15 lone 3 100 - 3 - HE21 GLN 63 - HG3 GLN 15 lone 2 71 - 3 - Peak 1177 from cnoeabs.peaks (3.79, 2.48, 35.21 ppm; 3.80 A): 1 out of 5 assignments used, quality = 1.00: * HA GLN 15 + HG3 GLN 15 OK 100 100 - 100 - 3.8=100 HA THR 14 - HG3 GLN 15 OK 35 85 - 42 - 3.6/1176=20, 3.0/4001=8...(7) HA ARG 34 - HG3 GLN 15 lone 5 100 - 5 - HD3 PRO 32 - HG3 GLN 15 lone 5 99 - 4 - 2.3/4822=1 HA ILE 50 - HG3 GLN 15 lone 1 83 - 2 - Peak 1178 from cnoeabs.peaks (2.50, 2.48, 35.21 ppm; diagonal): 1 out of 1 assignment used, quality = 0.85: HG3 GLN 15 + HG3 GLN 15 OK 85 85 - 100 Reference assignment not found: HB2 GLN 15 - HG3 GLN 15 Peak 1179 from cnoeabs.peaks (1.63, 2.48, 35.21 ppm; 3.72 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 15 + HG3 GLN 15 OK 100 100 - 100 - 3.0=100 Peak 1180 from cnoeabs.peaks (2.30, 2.48, 35.21 ppm; 3.01 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 15 + HG3 GLN 15 OK 100 100 - 100 - 1.8=100 Peak 1181 from cnoeabs.peaks (2.48, 2.48, 35.21 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 15 + HG3 GLN 15 OK 100 100 - 100 Peak 1182 from cnoeabs.peaks (7.79, 2.48, 35.21 ppm; 3.93 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 15 + HG3 GLN 15 OK 100 100 - 100 - 3.5=100 Peak 1183 from cnoeabs.peaks (6.69, 2.48, 35.21 ppm; 4.43 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 15 + HG3 GLN 15 OK 100 100 - 100 - 3.5=100 Peak 1184 from cnoeabs.peaks (7.83, 3.23, 67.30 ppm; 3.91 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 16 + HA VAL 16 OK 100 100 - 100 - 3.0=100 Peak 1185 from cnoeabs.peaks (3.23, 3.23, 67.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 16 + HA VAL 16 OK 100 100 - 100 Peak 1186 from cnoeabs.peaks (2.07, 3.23, 67.30 ppm; 4.10 A): 1 out of 1 assignment used, quality = 1.00: * HB VAL 16 + HA VAL 16 OK 100 100 - 100 - 3.0=100 Peak 1187 from cnoeabs.peaks (1.01, 3.23, 67.30 ppm; 3.22 A): 2 out of 2 assignments used, quality = 1.00: * QG2 VAL 16 + HA VAL 16 OK 100 100 - 100 - 3.2=100 QG1 VAL 16 + HA VAL 16 OK 83 83 - 100 - 3.2=100 Peak 1188 from cnoeabs.peaks (1.03, 3.23, 67.30 ppm; 3.06 A): 2 out of 2 assignments used, quality = 0.99: * QG1 VAL 16 + HA VAL 16 OK 95 100 - 95 - 3.2=88, 1199/3.0=17...(13) QG2 VAL 16 + HA VAL 16 OK 78 83 - 95 - 3.2=88, 1194/3.0=17...(13) Peak 1189 from cnoeabs.peaks (7.83, 2.07, 31.49 ppm; 3.22 A): 1 out of 1 assignment used, quality = 0.84: * H VAL 16 + HB VAL 16 OK 84 100 - 84 - 3.9=57, 1194/2.1=32...(7) Peak 1190 from cnoeabs.peaks (3.23, 2.07, 31.49 ppm; 3.88 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 16 + HB VAL 16 OK 100 100 - 100 - 3.0=100 Peak 1191 from cnoeabs.peaks (2.07, 2.07, 31.49 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB VAL 16 + HB VAL 16 OK 100 100 - 100 Peak 1192 from cnoeabs.peaks (1.01, 2.07, 31.49 ppm; 2.89 A): 2 out of 2 assignments used, quality = 1.00: * QG2 VAL 16 + HB VAL 16 OK 100 100 - 100 - 2.1=100 QG1 VAL 16 + HB VAL 16 OK 83 83 - 100 - 2.1=100 Peak 1193 from cnoeabs.peaks (1.03, 2.07, 31.49 ppm; 2.72 A): 2 out of 2 assignments used, quality = 1.00: * QG1 VAL 16 + HB VAL 16 OK 100 100 - 100 - 2.1=100 QG2 VAL 16 + HB VAL 16 OK 83 83 - 100 - 2.1=100 Peak 1194 from cnoeabs.peaks (7.83, 1.01, 23.28 ppm; 3.13 A): 1 out of 2 assignments used, quality = 0.83: * H VAL 16 + QG2 VAL 16 OK 83 100 - 83 - 4.0=47, 1189/2.1=30...(12) H VAL 16 - QG1 VAL 48 lone 3 51 - 5 - 517=2 Peak 1195 from cnoeabs.peaks (3.23, 1.01, 23.28 ppm; 3.26 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 16 + QG2 VAL 16 OK 100 100 - 100 - 3.2=100 Peak 1196 from cnoeabs.peaks (2.07, 1.01, 23.28 ppm; 3.11 A): 1 out of 1 assignment used, quality = 1.00: * HB VAL 16 + QG2 VAL 16 OK 100 100 - 100 - 2.1=100 Peak 1197 from cnoeabs.peaks (1.01, 1.01, 23.28 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * QG2 VAL 16 + QG2 VAL 16 OK 100 100 - 100 QG1 VAL 48 - QG1 VAL 48 OK 41 41 - 100 Peak 1198 from cnoeabs.peaks (1.03, 1.01, 23.28 ppm; diagonal): 1 out of 1 assignment used, quality = 0.83: QG2 VAL 16 + QG2 VAL 16 OK 83 83 - 100 Reference assignment not found: QG1 VAL 16 - QG2 VAL 16 Peak 1199 from cnoeabs.peaks (7.83, 1.03, 21.88 ppm; 3.96 A): 1 out of 1 assignment used, quality = 0.99: * H VAL 16 + QG1 VAL 16 OK 99 100 - 99 - 4.0=96, 1189/2.1=43...(13) Peak 1200 from cnoeabs.peaks (3.23, 1.03, 21.88 ppm; 3.37 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 16 + QG1 VAL 16 OK 100 100 - 100 - 3.2=100 Peak 1201 from cnoeabs.peaks (2.07, 1.03, 21.88 ppm; 3.00 A): 1 out of 1 assignment used, quality = 1.00: * HB VAL 16 + QG1 VAL 16 OK 100 100 - 100 - 2.1=100 Peak 1202 from cnoeabs.peaks (1.01, 1.03, 21.88 ppm; diagonal): 1 out of 1 assignment used, quality = 0.83: QG1 VAL 16 + QG1 VAL 16 OK 83 83 - 100 Reference assignment not found: QG2 VAL 16 - QG1 VAL 16 Peak 1203 from cnoeabs.peaks (1.03, 1.03, 21.88 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 16 + QG1 VAL 16 OK 100 100 - 100 Peak 1204 from cnoeabs.peaks (8.01, 3.69, 64.32 ppm; 3.62 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 17 + HA ILE 17 OK 100 100 - 100 - 3.0=100 Peak 1205 from cnoeabs.peaks (3.69, 3.69, 64.32 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ILE 17 + HA ILE 17 OK 100 100 - 100 Peak 1206 from cnoeabs.peaks (1.84, 3.69, 64.32 ppm; 3.55 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 17 + HA ILE 17 OK 100 100 - 100 - 3.0=100 Peak 1207 from cnoeabs.peaks (0.81, 3.69, 64.32 ppm; 3.26 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 17 + HA ILE 17 OK 100 100 - 100 - 3.2=100 Peak 1208 from cnoeabs.peaks (1.08, 3.69, 64.32 ppm; 3.63 A): 1 out of 1 assignment used, quality = 0.98: * HG12 ILE 17 + HA ILE 17 OK 98 100 - 98 - 3.8=88, 1.8/1233=35...(14) Peak 1209 from cnoeabs.peaks (1.38, 3.69, 64.32 ppm; 3.91 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 17 + HA ILE 17 OK 100 100 - 100 - 3.8=100 Peak 1210 from cnoeabs.peaks (0.70, 3.69, 64.32 ppm; 3.78 A): 2 out of 3 assignments used, quality = 0.99: * QD1 ILE 17 + HA ILE 17 OK 98 100 - 98 - 4.2=76, 2.1/1208=36...(17) HB2 LEU 19 + HA ILE 17 OK 52 98 - 53 - 4.0/943=20, 4.4/950=18...(11) QD1 LEU 41 - HA ILE 17 OK 15 85 - 18 - 4438/943=5, 38/3.6=5...(5) Peak 1211 from cnoeabs.peaks (8.01, 1.84, 37.27 ppm; 3.18 A): 3 out of 7 assignments used, quality = 0.93: * H ILE 17 + HB ILE 17 OK 89 100 - 89 - 4.0=52, 522/2.1=25...(15) H LEU 19 + HB ILE 17 OK 23 68 - 33 - 943/3.0=10, 4.7/3370=8...(7) H LYS 22 + HB ILE 17 OK 16 83 - 19 - 1218/2.1=4, 4.6/549=2...(9) H HIS 36 - HB ILE 17 poor 9 83 - 11 - 521=2, 522/2.1=2...(5) H ASN 40 - HB ILE 17 lone 8 99 - 8 - 4419/3.0=2, 1218/2.1=2...(4) H GLN 53 - HB ILE 17 lone 3 73 - 4 - H LYS 60 - HB ILE 17 lone 1 65 - 2 - Peak 1212 from cnoeabs.peaks (3.69, 1.84, 37.27 ppm; 3.56 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 17 + HB ILE 17 OK 100 100 - 100 - 3.0=100 Peak 1213 from cnoeabs.peaks (1.84, 1.84, 37.27 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 17 + HB ILE 17 OK 100 100 - 100 Peak 1214 from cnoeabs.peaks (0.81, 1.84, 37.27 ppm; 2.92 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 17 + HB ILE 17 OK 100 100 - 100 - 2.1=100 Peak 1215 from cnoeabs.peaks (1.08, 1.84, 37.27 ppm; 3.66 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 17 + HB ILE 17 OK 100 100 - 100 - 3.0=100 Peak 1216 from cnoeabs.peaks (1.38, 1.84, 37.27 ppm; 3.43 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 17 + HB ILE 17 OK 100 100 - 100 - 3.0=100 Peak 1217 from cnoeabs.peaks (0.70, 1.84, 37.27 ppm; 3.44 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 17 + HB ILE 17 OK 100 100 - 100 - 3.2=100 Peak 1218 from cnoeabs.peaks (8.01, 0.81, 17.21 ppm; 3.69 A): 1 out of 7 assignments used, quality = 0.97: * H ILE 17 + QG2 ILE 17 OK 97 100 - 97 - 4.0=79, 523/3.2=28...(15) H LEU 19 - QG2 ILE 17 OK 40 68 - 58 - 3.6/4076=20, 943/3.2=13...(13) H LYS 22 - QG2 ILE 17 OK 28 83 - 34 - 4.6/4135=10, 4.5/4809=5...(11) H HIS 36 - QG2 ILE 17 OK 12 83 - 15 - 522=3, 1211/2.1=3...(5) H ASN 40 - QG2 ILE 17 OK 11 99 - 11 - 4419/3.2=2, 1211/2.1=2...(4) H GLN 53 - QG2 ILE 17 lone 5 73 - 7 - H LYS 60 - QG2 ILE 17 lone 2 65 - 2 - Peak 1219 from cnoeabs.peaks (3.69, 0.81, 17.21 ppm; 3.28 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 17 + QG2 ILE 17 OK 100 100 - 100 - 3.2=100 Peak 1220 from cnoeabs.peaks (1.84, 0.81, 17.21 ppm; 2.91 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 17 + QG2 ILE 17 OK 100 100 - 100 - 2.1=100 Peak 1221 from cnoeabs.peaks (0.81, 0.81, 17.21 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 17 + QG2 ILE 17 OK 100 100 - 100 Peak 1222 from cnoeabs.peaks (1.08, 0.81, 17.21 ppm; 3.33 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 17 + QG2 ILE 17 OK 100 100 - 100 - 3.2=100 Peak 1223 from cnoeabs.peaks (1.38, 0.81, 17.21 ppm; 3.65 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 17 + QG2 ILE 17 OK 100 100 - 100 - 3.2=100 Peak 1224 from cnoeabs.peaks (0.70, 0.81, 17.21 ppm; 2.97 A): 2 out of 3 assignments used, quality = 0.90: * QD1 ILE 17 + QG2 ILE 17 OK 88 100 - 88 - 3.3=77, 1240/3.2=16...(9) HB2 LEU 19 + QG2 ILE 17 OK 17 98 - 17 - 1210/3.2=5, 525/4.0=3...(5) QD1 LEU 41 - QG2 ILE 17 poor 9 85 - 10 - 38/4.3=2, 1210/3.2=2...(5) Peak 1225 from cnoeabs.peaks (8.01, 1.08, 28.44 ppm; 3.63 A): 1 out of 7 assignments used, quality = 0.94: * H ILE 17 + HG12 ILE 17 OK 94 100 - 94 - 4.6=51, 524/1.8=36...(11) H LEU 19 - HG12 ILE 17 OK 25 68 - 36 - 943/3.8=11, 4.7/36=9...(7) H HIS 36 - HG12 ILE 17 OK 12 83 - 14 - 523=4, 1232/1.8=3...(5) H LYS 22 - HG12 ILE 17 OK 11 83 - 14 - 1218/3.2=4, 1211/3.0=3...(4) H ASN 40 - HG12 ILE 17 lone 10 99 - 9 - 4419/1.8=3, 1239/2.1=2...(4) H GLN 53 - HG12 ILE 17 lone 3 73 - 4 - H LYS 60 - HG12 ILE 17 lone 1 65 - 2 - Peak 1226 from cnoeabs.peaks (3.69, 1.08, 28.44 ppm; 3.65 A): 1 out of 1 assignment used, quality = 0.99: * HA ILE 17 + HG12 ILE 17 OK 99 100 - 99 - 3.8=90, 1233/1.8=35...(14) Peak 1227 from cnoeabs.peaks (1.84, 1.08, 28.44 ppm; 3.66 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 17 + HG12 ILE 17 OK 100 100 - 100 - 3.0=100 Peak 1228 from cnoeabs.peaks (0.81, 1.08, 28.44 ppm; 3.34 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 17 + HG12 ILE 17 OK 100 100 - 100 - 3.2=100 Peak 1229 from cnoeabs.peaks (1.08, 1.08, 28.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 17 + HG12 ILE 17 OK 100 100 - 100 Peak 1230 from cnoeabs.peaks (1.38, 1.08, 28.44 ppm; 2.53 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 17 + HG12 ILE 17 OK 100 100 - 100 - 1.8=100 Peak 1231 from cnoeabs.peaks (0.70, 1.08, 28.44 ppm; 3.16 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 17 + HG12 ILE 17 OK 100 100 - 100 - 2.1=100 Peak 1232 from cnoeabs.peaks (8.01, 1.38, 28.44 ppm; 3.48 A): 1 out of 7 assignments used, quality = 0.93: * H ILE 17 + HG13 ILE 17 OK 93 100 - 93 - 4.6=45, 523/1.8=36...(12) H LEU 19 - HG13 ILE 17 OK 22 68 - 33 - 943/3.8=10, 4.7/3373=7...(6) H HIS 36 - HG13 ILE 17 OK 11 83 - 12 - 524=3, 523/1.8=3...(5) H ASN 40 - HG13 ILE 17 OK 10 99 - 10 - 4419=2, 1225/1.8=2...(5) H LYS 22 - HG13 ILE 17 OK 10 83 - 13 - 1218/3.2=3, 1211/3.0=3...(4) H GLN 53 - HG13 ILE 17 lone 3 73 - 3 - H LYS 60 - HG13 ILE 17 lone 1 65 - 2 - Peak 1233 from cnoeabs.peaks (3.69, 1.38, 28.44 ppm; 3.76 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 17 + HG13 ILE 17 OK 100 100 - 100 - 3.8=97, 1208/1.8=39...(14) Peak 1234 from cnoeabs.peaks (1.84, 1.38, 28.44 ppm; 3.42 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 17 + HG13 ILE 17 OK 100 100 - 100 - 3.0=100 Peak 1235 from cnoeabs.peaks (0.81, 1.38, 28.44 ppm; 3.48 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 17 + HG13 ILE 17 OK 100 100 - 100 - 3.2=100 Peak 1236 from cnoeabs.peaks (1.08, 1.38, 28.44 ppm; 2.50 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 17 + HG13 ILE 17 OK 100 100 - 100 - 1.8=100 Peak 1237 from cnoeabs.peaks (1.38, 1.38, 28.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 17 + HG13 ILE 17 OK 100 100 - 100 Peak 1238 from cnoeabs.peaks (0.70, 1.38, 28.44 ppm; 3.16 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 17 + HG13 ILE 17 OK 100 100 - 100 - 2.1=100 Peak 1239 from cnoeabs.peaks (8.01, 0.70, 12.32 ppm; 4.11 A): 1 out of 7 assignments used, quality = 0.98: * H ILE 17 + QD1 ILE 17 OK 98 100 - 98 - 5.0=56, 523/2.1=41...(16) H LEU 19 - QD1 ILE 17 OK 32 68 - 48 - 943/4.2=13, 4.7/38=7...(12) H LYS 22 - QD1 ILE 17 OK 15 83 - 18 - 1218/3.3=5, 1211/3.2=4...(6) H HIS 36 - QD1 ILE 17 OK 14 83 - 16 - 1225/2.1=3, 1232/2.1=3...(5) H ASN 40 - QD1 ILE 17 OK 13 99 - 13 - 4419/2.1=3, 1225/2.1=3...(4) H GLN 53 - QD1 ILE 17 lone 4 73 - 5 - H LYS 60 - QD1 ILE 17 lone 2 65 - 3 - Peak 1240 from cnoeabs.peaks (3.69, 0.70, 12.32 ppm; 3.86 A): 1 out of 1 assignment used, quality = 0.98: * HA ILE 17 + QD1 ILE 17 OK 98 100 - 98 - 4.2=80, 1208/2.1=37...(17) Peak 1241 from cnoeabs.peaks (1.84, 0.70, 12.32 ppm; 3.50 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 17 + QD1 ILE 17 OK 100 100 - 100 - 3.2=100 Peak 1242 from cnoeabs.peaks (0.81, 0.70, 12.32 ppm; 3.27 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 17 + QD1 ILE 17 OK 100 100 - 100 - 3.3=100 Peak 1243 from cnoeabs.peaks (1.08, 0.70, 12.32 ppm; 3.12 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 17 + QD1 ILE 17 OK 100 100 - 100 - 2.1=100 Peak 1244 from cnoeabs.peaks (1.38, 0.70, 12.32 ppm; 3.17 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 17 + QD1 ILE 17 OK 100 100 - 100 - 2.1=100 Peak 1245 from cnoeabs.peaks (0.70, 0.70, 12.32 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 17 + QD1 ILE 17 OK 100 100 - 100 Peak 1246 from cnoeabs.peaks (7.55, 4.19, 58.41 ppm; 3.61 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 18 + HA GLU 18 OK 100 100 - 100 - 3.0=100 Peak 1247 from cnoeabs.peaks (4.19, 4.19, 58.41 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 18 + HA GLU 18 OK 100 100 - 100 Peak 1248 from cnoeabs.peaks (2.00, 4.19, 58.41 ppm; 2.83 A): 2 out of 10 assignments used, quality = 0.99: HB3 GLU 18 + HA GLU 18 OK 90 100 - 90 - 3.0=84, 3.0/1251=10...(12) * HB2 GLU 18 + HA GLU 18 OK 90 100 - 90 - 3.0=84, 3.0/1251=10...(12) HB3 ARG 21 - HA GLU 18 OK 32 68 - 46 - 1.8/3696=9, 4.0/3692=9...(10) HB2 ARG 21 - HA GLU 18 OK 28 60 - 46 - 1.8/3696=9, 4.0/3692=9...(12) HG2 PRO 32 - HA GLU 18 lone 4 93 - 4 - HB2 MET 11 - HA GLU 18 lone 3 100 - 3 - HD3 ARG 55 - HA GLU 18 lone 2 73 - 3 - HB3 GLN 63 - HA GLU 18 lone 1 100 - 1 - HB2 GLN 26 - HA GLU 18 lone 0 65 - 1 - HB3 GLN 26 - HA GLU 18 lone 0 65 - 1 - Peak 1249 from cnoeabs.peaks (2.00, 4.19, 58.41 ppm; 2.83 A): 2 out of 10 assignments used, quality = 0.99: * HB3 GLU 18 + HA GLU 18 OK 90 100 - 90 - 3.0=84, 3.0/1251=10...(12) HB2 GLU 18 + HA GLU 18 OK 90 100 - 90 - 3.0=84, 3.0/1251=10...(12) HB3 ARG 21 - HA GLU 18 OK 32 68 - 46 - 1.8/3696=9, 4.0/3692=9...(10) HB2 ARG 21 - HA GLU 18 OK 28 60 - 46 - 1.8/3696=9, 4.0/3692=9...(12) HG2 PRO 32 - HA GLU 18 lone 4 93 - 4 - HB2 MET 11 - HA GLU 18 lone 3 100 - 3 - HD3 ARG 55 - HA GLU 18 lone 2 73 - 3 - HB3 GLN 63 - HA GLU 18 lone 1 100 - 1 - HB2 GLN 26 - HA GLU 18 lone 0 65 - 1 - HB3 GLN 26 - HA GLU 18 lone 0 65 - 1 - Peak 1250 from cnoeabs.peaks (2.28, 4.19, 58.41 ppm; 4.00 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 18 + HA GLU 18 OK 100 100 - 100 - 3.9=100 Peak 1251 from cnoeabs.peaks (2.41, 4.19, 58.41 ppm; 3.72 A): 1 out of 7 assignments used, quality = 0.96: * HG3 GLU 18 + HA GLU 18 OK 96 100 - 96 - 3.9=89, 1270/3.0=15...(15) HG3 GLU 20 - HA GLU 18 OK 23 90 - 26 - 5.0/3691=9, 531/3.0=6...(6) HB3 LYS 22 - HA GLU 18 OK 11 65 - 17 - 4.0/961=10, 44/3.6=2...(4) HG3 GLN 47 - HA GLU 18 lone 6 100 - 6 - 531/3.0=2, 44/3.6=1 HD2 ARG 55 - HA GLU 18 lone 6 100 - 6 - 44/3.6=1, 531/3.0=1 HG2 GLU 45 - HA GLU 18 lone 6 98 - 6 - 44/3.6=1, 531/3.0=1 HG2 MET 11 - HA GLU 18 lone 4 81 - 5 - Peak 1252 from cnoeabs.peaks (7.55, 2.00, 29.57 ppm; 3.54 A): 2 out of 12 assignments used, quality = 0.99: H GLU 18 + HB3 GLU 18 OK 91 100 - 91 - 3.9=72, 1264/3.0=18...(15) * H GLU 18 + HB2 GLU 18 OK 91 100 - 91 - 3.9=72, 1264/3.0=18...(15) HE21 GLN 63 - HB3 GLN 63 OK 34 68 - 50 - 4.6=46, 6.9/829=6 H TYR 57 - HB2 GLU 18 poor 10 96 - 10 - 1264/3.0=3, 1270/3.0=2...(5) H TYR 57 - HB3 GLU 18 poor 10 96 - 10 - 1264/3.0=3, 1270/3.0=2...(5) QE PHE 52 - HB2 GLU 18 lone 7 76 - 9 - 39/4.3=3, 1264/3.0=2, 1270/3.0=1 QE PHE 52 - HB3 GLU 18 lone 7 76 - 9 - 39/4.3=3, 1264/3.0=2, 1270/3.0=1 H GLU 18 - HB3 GLN 63 lone 3 89 - 3 - HE21 GLN 63 - HB2 GLU 18 lone 3 83 - 3 - HE21 GLN 63 - HB3 GLU 18 lone 3 83 - 3 - H TYR 57 - HB3 GLN 63 lone 1 82 - 1 - QE PHE 52 - HB3 GLN 63 lone 1 62 - 1 - Peak 1253 from cnoeabs.peaks (4.19, 2.00, 29.57 ppm; 3.40 A): 2 out of 2 assignments used, quality = 1.00: HA GLU 18 + HB3 GLU 18 OK 100 100 - 100 - 3.0=100 * HA GLU 18 + HB2 GLU 18 OK 100 100 - 100 - 3.0=100 Peak 1254 from cnoeabs.peaks (2.00, 2.00, 29.57 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB3 GLU 18 + HB3 GLU 18 OK 100 100 - 100 * HB2 GLU 18 + HB2 GLU 18 OK 100 100 - 100 HB3 GLN 63 + HB3 GLN 63 OK 89 89 - 100 Peak 1255 from cnoeabs.peaks (2.00, 2.00, 29.57 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB3 GLU 18 + HB3 GLU 18 OK 100 100 - 100 HB2 GLU 18 + HB2 GLU 18 OK 100 100 - 100 HB3 GLN 63 + HB3 GLN 63 OK 89 89 - 100 Reference assignment not found: HB3 GLU 18 - HB2 GLU 18 Peak 1256 from cnoeabs.peaks (2.28, 2.00, 29.57 ppm; 3.35 A): 2 out of 2 assignments used, quality = 1.00: HG2 GLU 18 + HB3 GLU 18 OK 100 100 - 100 - 3.0=100 * HG2 GLU 18 + HB2 GLU 18 OK 100 100 - 100 - 3.0=100 Peak 1257 from cnoeabs.peaks (2.41, 2.00, 29.57 ppm; 3.32 A): 2 out of 2 assignments used, quality = 1.00: HG3 GLU 18 + HB3 GLU 18 OK 100 100 - 100 - 3.0=100 * HG3 GLU 18 + HB2 GLU 18 OK 100 100 - 100 - 3.0=100 Peak 1258 from cnoeabs.peaks (7.55, 2.00, 29.57 ppm; 3.54 A): 2 out of 12 assignments used, quality = 0.99: * H GLU 18 + HB3 GLU 18 OK 91 100 - 91 - 3.9=72, 1264/3.0=18...(15) H GLU 18 + HB2 GLU 18 OK 91 100 - 91 - 3.9=72, 1264/3.0=18...(15) HE21 GLN 63 - HB3 GLN 63 OK 34 68 - 50 - 4.6=46, 6.9/829=6 H TYR 57 - HB2 GLU 18 poor 10 96 - 10 - 1264/3.0=3, 1270/3.0=2...(5) H TYR 57 - HB3 GLU 18 poor 10 96 - 10 - 1264/3.0=3, 1270/3.0=2...(5) QE PHE 52 - HB2 GLU 18 lone 7 76 - 9 - 39/4.3=3, 1264/3.0=2, 1270/3.0=1 QE PHE 52 - HB3 GLU 18 lone 7 76 - 9 - 39/4.3=3, 1264/3.0=2, 1270/3.0=1 H GLU 18 - HB3 GLN 63 lone 3 89 - 3 - HE21 GLN 63 - HB2 GLU 18 lone 3 83 - 3 - HE21 GLN 63 - HB3 GLU 18 lone 3 83 - 3 - H TYR 57 - HB3 GLN 63 lone 1 82 - 1 - QE PHE 52 - HB3 GLN 63 lone 1 62 - 1 - Peak 1259 from cnoeabs.peaks (4.19, 2.00, 29.57 ppm; 3.40 A): 2 out of 2 assignments used, quality = 1.00: * HA GLU 18 + HB3 GLU 18 OK 100 100 - 100 - 3.0=100 HA GLU 18 + HB2 GLU 18 OK 100 100 - 100 - 3.0=100 Peak 1260 from cnoeabs.peaks (2.00, 2.00, 29.57 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB3 GLU 18 + HB3 GLU 18 OK 100 100 - 100 HB2 GLU 18 + HB2 GLU 18 OK 100 100 - 100 HB3 GLN 63 + HB3 GLN 63 OK 89 89 - 100 Reference assignment not found: HB2 GLU 18 - HB3 GLU 18 Peak 1261 from cnoeabs.peaks (2.00, 2.00, 29.57 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 GLU 18 + HB3 GLU 18 OK 100 100 - 100 HB2 GLU 18 + HB2 GLU 18 OK 100 100 - 100 HB3 GLN 63 + HB3 GLN 63 OK 89 89 - 100 Peak 1262 from cnoeabs.peaks (2.28, 2.00, 29.57 ppm; 3.35 A): 2 out of 2 assignments used, quality = 1.00: * HG2 GLU 18 + HB3 GLU 18 OK 100 100 - 100 - 3.0=100 HG2 GLU 18 + HB2 GLU 18 OK 100 100 - 100 - 3.0=100 Peak 1263 from cnoeabs.peaks (2.41, 2.00, 29.57 ppm; 3.32 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 18 + HB3 GLU 18 OK 100 100 - 100 - 3.0=100 HG3 GLU 18 + HB2 GLU 18 OK 100 100 - 100 - 3.0=100 Peak 1264 from cnoeabs.peaks (7.55, 2.28, 35.25 ppm; 4.12 A): 2 out of 4 assignments used, quality = 0.88: * H GLU 18 + HG2 GLU 18 OK 86 100 - 86 - 4.9=59, 1270/1.8=22...(14) H TYR 57 + HG2 GLU 18 OK 12 96 - 13 - 530=4, 1270/1.8=3...(4) QE PHE 52 - HG2 GLU 18 lone 7 76 - 10 - 1270/1.8=2, 4437/4450=1, ~4640=1 HE21 GLN 63 - HG2 GLU 18 lone 3 83 - 4 - Peak 1265 from cnoeabs.peaks (4.19, 2.28, 35.25 ppm; 4.56 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 18 + HG2 GLU 18 OK 100 100 - 100 - 3.9=100 Peak 1266 from cnoeabs.peaks (2.00, 2.28, 35.25 ppm; 3.33 A): 2 out of 2 assignments used, quality = 1.00: HB3 GLU 18 + HG2 GLU 18 OK 100 100 - 100 - 3.0=100 * HB2 GLU 18 + HG2 GLU 18 OK 100 100 - 100 - 3.0=100 Peak 1267 from cnoeabs.peaks (2.00, 2.28, 35.25 ppm; 3.33 A): 2 out of 2 assignments used, quality = 1.00: * HB3 GLU 18 + HG2 GLU 18 OK 100 100 - 100 - 3.0=100 HB2 GLU 18 + HG2 GLU 18 OK 100 100 - 100 - 3.0=100 Peak 1268 from cnoeabs.peaks (2.28, 2.28, 35.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 18 + HG2 GLU 18 OK 100 100 - 100 Peak 1269 from cnoeabs.peaks (2.41, 2.28, 35.25 ppm; 2.69 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 18 + HG2 GLU 18 OK 100 100 - 100 - 1.8=100 Peak 1270 from cnoeabs.peaks (7.55, 2.41, 35.25 ppm; 3.91 A): 3 out of 12 assignments used, quality = 0.92: * H GLU 18 + HG3 GLU 18 OK 87 100 - 87 - 4.9=51, 1264/1.8=27...(19) H GLU 18 + HG3 GLU 20 OK 31 66 - 47 - 531=10, 949/5.0=9...(10) H TYR 57 + HG3 GLU 18 OK 12 96 - 13 - 1264/1.8=4, 531=3...(4) H GLU 18 - HG3 GLN 47 poor 8 60 - 12 - 531=3, 4.3/4073=2...(6) QE PHE 52 - HG3 GLU 18 lone 7 76 - 10 - 1264/1.8=2, 4437/4093=2 H TYR 57 - HG3 GLU 20 lone 5 59 - 8 - 949/5.0=2, 290/3.0=2, 531=1 HE21 GLN 63 - HG3 GLU 18 lone 3 83 - 4 - 1264/1.8=1 QE PHE 52 - HG3 GLU 20 lone 2 43 - 5 - 949/5.0=2 H TYR 57 - HG3 GLN 47 lone 2 53 - 3 - QE PHE 52 - HG3 GLN 47 lone 1 38 - 3 - HE21 GLN 63 - HG3 GLU 20 lone 1 48 - 2 - HE21 GLN 63 - HG3 GLN 47 lone 0 43 - 1 - Peak 1271 from cnoeabs.peaks (4.19, 2.41, 35.25 ppm; 4.07 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 18 + HG3 GLU 18 OK 100 100 - 100 - 3.9=100 Peak 1272 from cnoeabs.peaks (2.00, 2.41, 35.25 ppm; 3.30 A): 2 out of 2 assignments used, quality = 1.00: HB3 GLU 18 + HG3 GLU 18 OK 100 100 - 100 - 3.0=100 * HB2 GLU 18 + HG3 GLU 18 OK 100 100 - 100 - 3.0=100 Peak 1273 from cnoeabs.peaks (2.00, 2.41, 35.25 ppm; 3.30 A): 2 out of 2 assignments used, quality = 1.00: * HB3 GLU 18 + HG3 GLU 18 OK 100 100 - 100 - 3.0=100 HB2 GLU 18 + HG3 GLU 18 OK 100 100 - 100 - 3.0=100 Peak 1274 from cnoeabs.peaks (2.28, 2.41, 35.25 ppm; 2.72 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 18 + HG3 GLU 18 OK 100 100 - 100 - 1.8=100 Peak 1275 from cnoeabs.peaks (2.41, 2.41, 35.25 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG3 GLU 18 + HG3 GLU 18 OK 100 100 - 100 HG3 GLN 47 + HG3 GLN 47 OK 59 59 - 100 HG3 GLU 20 + HG3 GLU 20 OK 54 54 - 100 Peak 1276 from cnoeabs.peaks (7.98, 3.64, 58.54 ppm; 3.97 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 19 + HA LEU 19 OK 100 100 - 100 - 2.9=100 Peak 1277 from cnoeabs.peaks (3.64, 3.64, 58.54 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 19 + HA LEU 19 OK 100 100 - 100 Peak 1278 from cnoeabs.peaks (0.71, 3.64, 58.54 ppm; 3.79 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 19 + HA LEU 19 OK 100 100 - 100 - 3.0=100 Peak 1279 from cnoeabs.peaks (-0.76, 3.64, 58.54 ppm; 4.03 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 19 + HA LEU 19 OK 100 100 - 100 - 3.0=100 Peak 1280 from cnoeabs.peaks (1.24, 3.64, 58.54 ppm; 3.89 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 19 + HA LEU 19 OK 100 100 - 100 - 3.7=100 Peak 1281 from cnoeabs.peaks (0.53, 3.64, 58.54 ppm; 3.08 A): 1 out of 1 assignment used, quality = 0.74: * QD2 LEU 19 + HA LEU 19 OK 74 100 - 74 - 4.0=47, 537/2.9=17...(10) Peak 1282 from cnoeabs.peaks (-0.28, 3.64, 58.54 ppm; 4.49 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 19 + HA LEU 19 OK 100 100 - 100 - 4.0=100 Peak 1283 from cnoeabs.peaks (7.98, 0.71, 37.72 ppm; 4.20 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 19 + HB2 LEU 19 OK 100 100 - 100 - 4.0=100 Peak 1284 from cnoeabs.peaks (3.64, 0.71, 37.72 ppm; 4.76 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 19 + HB2 LEU 19 OK 100 100 - 100 - 3.0=100 Peak 1285 from cnoeabs.peaks (0.71, 0.71, 37.72 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 19 + HB2 LEU 19 OK 100 100 - 100 Peak 1286 from cnoeabs.peaks (-0.76, 0.71, 37.72 ppm; 3.74 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 19 + HB2 LEU 19 OK 100 100 - 100 - 1.8=100 Peak 1287 from cnoeabs.peaks (1.24, 0.71, 37.72 ppm; 4.43 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 19 + HB2 LEU 19 OK 100 100 - 100 - 3.0=100 Peak 1288 from cnoeabs.peaks (0.53, 0.71, 37.72 ppm; 4.28 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 19 + HB2 LEU 19 OK 100 100 - 100 - 3.1=100 Peak 1289 from cnoeabs.peaks (-0.28, 0.71, 37.72 ppm; 4.23 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 19 + HB2 LEU 19 OK 100 100 - 100 - 3.1=100 Peak 1291 from cnoeabs.peaks (3.64, -0.76, 37.72 ppm; 5.30 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 19 + HB3 LEU 19 OK 100 100 - 100 - 3.0=100 Peak 1292 from cnoeabs.peaks (0.71, -0.76, 37.72 ppm; 4.15 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 19 + HB3 LEU 19 OK 100 100 - 100 - 1.8=100 Peak 1293 from cnoeabs.peaks (-0.76, -0.76, 37.72 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 19 + HB3 LEU 19 OK 100 100 - 100 Peak 1294 from cnoeabs.peaks (1.24, -0.76, 37.72 ppm; 5.38 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 19 + HB3 LEU 19 OK 100 100 - 100 - 3.0=100 Peak 1295 from cnoeabs.peaks (0.53, -0.76, 37.72 ppm; 4.89 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 19 + HB3 LEU 19 OK 100 100 - 100 - 3.1=100 Peak 1296 from cnoeabs.peaks (-0.28, -0.76, 37.72 ppm; 5.45 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 19 + HB3 LEU 19 OK 100 100 - 100 - 3.1=100 Peak 1297 from cnoeabs.peaks (7.98, 1.24, 25.70 ppm; 3.69 A): 2 out of 4 assignments used, quality = 0.89: * H LEU 19 + HG LEU 19 OK 86 100 - 86 - 536=44, 537/2.1=30...(10) H ILE 17 + HG LEU 19 OK 19 68 - 28 - 3.6/4057=11, 1304/2.1=5...(6) H HIS 36 - HG LEU 19 lone 5 99 - 5 - 1304/2.1=2, 987/4.8=1 H LYS 60 - HG LEU 19 lone 2 100 - 2 - Peak 1298 from cnoeabs.peaks (3.64, 1.24, 25.70 ppm; 4.09 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 19 + HG LEU 19 OK 100 100 - 100 - 3.7=100 Peak 1299 from cnoeabs.peaks (0.71, 1.24, 25.70 ppm; 3.46 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 19 + HG LEU 19 OK 100 100 - 100 - 3.0=100 Peak 1300 from cnoeabs.peaks (-0.76, 1.24, 25.70 ppm; 4.62 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 19 + HG LEU 19 OK 100 100 - 100 - 3.0=100 Peak 1301 from cnoeabs.peaks (1.24, 1.24, 25.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 19 + HG LEU 19 OK 100 100 - 100 Peak 1302 from cnoeabs.peaks (0.53, 1.24, 25.70 ppm; 3.45 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 19 + HG LEU 19 OK 100 100 - 100 - 2.1=100 Peak 1303 from cnoeabs.peaks (-0.28, 1.24, 25.70 ppm; 4.11 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 19 + HG LEU 19 OK 100 100 - 100 - 2.1=100 Peak 1304 from cnoeabs.peaks (7.98, 0.53, 23.51 ppm; 4.20 A): 1 out of 4 assignments used, quality = 0.96: * H LEU 19 + QD2 LEU 19 OK 96 100 - 96 - 4.7=72, 2.9/1281=41...(11) H ILE 17 - QD2 LEU 19 OK 25 68 - 36 - 4.3/4825=15, 1297/2.1=7...(6) H HIS 36 - QD2 LEU 19 lone 7 99 - 7 - 4438/4816=2, 1297/2.1=2 H LYS 60 - QD2 LEU 19 lone 4 100 - 3 - Peak 1305 from cnoeabs.peaks (3.64, 0.53, 23.51 ppm; 3.03 A): 2 out of 4 assignments used, quality = 0.84: * HA LEU 19 + QD2 LEU 19 OK 73 100 - 73 - 1281=48, 2.9/537=17...(10) HA VAL 48 + QD2 LEU 19 OK 41 97 - 42 - 4579=11, 3.2/4825=9...(11) HA ALA 38 - QD2 LEU 19 lone 6 65 - 10 - 4404/4478=3, 2.9/3384=2...(4) HA GLU 45 - QD2 LEU 19 lone 5 100 - 5 - 4512/4378=2, 4512/4117=1 Peak 1306 from cnoeabs.peaks (0.71, 0.53, 23.51 ppm; 3.15 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 19 + QD2 LEU 19 OK 100 100 - 100 - 3.1=100 Peak 1307 from cnoeabs.peaks (-0.76, 0.53, 23.51 ppm; 3.95 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 19 + QD2 LEU 19 OK 100 100 - 100 - 3.1=100 Peak 1308 from cnoeabs.peaks (1.24, 0.53, 23.51 ppm; 3.26 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 19 + QD2 LEU 19 OK 100 100 - 100 - 2.1=100 Peak 1309 from cnoeabs.peaks (0.53, 0.53, 23.51 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 19 + QD2 LEU 19 OK 100 100 - 100 Peak 1310 from cnoeabs.peaks (-0.28, 0.53, 23.51 ppm; 3.09 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 19 + QD2 LEU 19 OK 100 100 - 100 - 2.1=100 Peak 1311 from cnoeabs.peaks (7.98, -0.28, 24.60 ppm; 5.70 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 19 + QD1 LEU 19 OK 100 100 - 100 - 4.7=100 Peak 1312 from cnoeabs.peaks (3.64, -0.28, 24.60 ppm; 4.75 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 19 + QD1 LEU 19 OK 100 100 - 100 - 4.0=100 Peak 1313 from cnoeabs.peaks (0.71, -0.28, 24.60 ppm; 3.87 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 19 + QD1 LEU 19 OK 100 100 - 100 - 3.1=100 Peak 1314 from cnoeabs.peaks (-0.76, -0.28, 24.60 ppm; 4.81 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 19 + QD1 LEU 19 OK 100 100 - 100 - 3.1=100 Peak 1315 from cnoeabs.peaks (1.24, -0.28, 24.60 ppm; 4.34 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 19 + QD1 LEU 19 OK 100 100 - 100 - 2.1=100 Peak 1316 from cnoeabs.peaks (0.53, -0.28, 24.60 ppm; 3.49 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 19 + QD1 LEU 19 OK 100 100 - 100 - 2.1=100 Peak 1317 from cnoeabs.peaks (-0.28, -0.28, 24.60 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 19 + QD1 LEU 19 OK 100 100 - 100 Peak 1318 from cnoeabs.peaks (8.41, 4.22, 59.07 ppm; 3.59 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 20 + HA GLU 20 OK 100 100 - 100 - 3.0=100 Peak 1319 from cnoeabs.peaks (4.22, 4.22, 59.07 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 20 + HA GLU 20 OK 100 100 - 100 Peak 1320 from cnoeabs.peaks (2.16, 4.22, 59.07 ppm; 3.73 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 20 + HA GLU 20 OK 100 100 - 100 - 3.0=100 Peak 1321 from cnoeabs.peaks (2.04, 4.22, 59.07 ppm; 3.54 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 20 + HA GLU 20 OK 100 100 - 100 - 3.0=100 Peak 1322 from cnoeabs.peaks (2.46, 4.22, 59.07 ppm; 3.74 A): 1 out of 5 assignments used, quality = 0.92: * HG2 GLU 20 + HA GLU 20 OK 92 100 - 92 - 4.1=75, 543/3.0=24...(11) HG2 GLN 53 - HA GLU 20 poor 8 71 - 11 - 56/3.6=3, 543/3.0=2...(4) HB2 ASN 54 - HA GLU 20 lone 7 96 - 7 - 543/3.0=2, 56/3.6=2, 4691/4131=1 HG3 MET 11 - HA GLU 20 lone 4 81 - 5 - 4691/4131=2, 543/3.0=1 HG3 GLN 15 - HA GLU 20 lone 3 78 - 4 - Peak 1323 from cnoeabs.peaks (2.42, 4.22, 59.07 ppm; 3.84 A): 1 out of 6 assignments used, quality = 0.94: * HG3 GLU 20 + HA GLU 20 OK 94 100 - 94 - 4.1=81, 544/3.0=17...(11) HG3 GLU 18 - HA GLU 20 OK 15 90 - 17 - 544/3.0=6, 57/3.6=6...(4) HG2 GLN 53 - HA GLU 20 OK 11 92 - 12 - 57/3.6=3, 544/3.0=2...(4) HD2 ARG 55 - HA GLU 20 lone 8 90 - 9 - 4720/4131=3, 544/3.0=2...(4) HG2 GLU 45 - HA GLU 20 lone 5 71 - 7 - 544/3.0=2, 57/3.6=2...(4) HG3 GLN 47 - HA GLU 20 lone 3 83 - 4 - 57/3.6=1 Peak 1324 from cnoeabs.peaks (8.41, 2.16, 28.89 ppm; 3.65 A): 2 out of 8 assignments used, quality = 0.93: * H GLU 20 + HB2 GLU 20 OK 92 100 - 92 - 4.0=74, 542/1.8=26...(9) H GLU 67 + HB2 GLU 20 OK 10 97 - 10 - 1330/1.8=2, 1336/3.0=2...(4) H GLU 20 - HB2 GLN 53 poor 9 47 - 18 - 541=6, 952/4.0=3...(6) H ALA 38 - HB2 GLU 20 poor 8 65 - 11 - 2.9/4409=3, 52/4.1=2...(6) H LEU 64 - HB2 GLU 20 lone 2 71 - 3 - H GLU 67 - HB2 GLN 53 lone 1 43 - 2 - H ALA 38 - HB2 GLN 53 lone 1 25 - 4 - 2.9/4409=1 H LEU 64 - HB2 GLN 53 lone 0 27 - 1 - Peak 1325 from cnoeabs.peaks (4.22, 2.16, 28.89 ppm; 4.03 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 20 + HB2 GLU 20 OK 100 100 - 100 - 3.0=100 Peak 1326 from cnoeabs.peaks (2.16, 2.16, 28.89 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HB2 GLU 20 + HB2 GLU 20 OK 100 100 - 100 HB2 GLN 53 - HB2 GLN 53 OK 40 40 - 100 Peak 1327 from cnoeabs.peaks (2.04, 2.16, 28.89 ppm; 2.82 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 20 + HB2 GLU 20 OK 100 100 - 100 - 1.8=100 Peak 1328 from cnoeabs.peaks (2.46, 2.16, 28.89 ppm; 3.47 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 20 + HB2 GLU 20 OK 100 100 - 100 - 3.0=100 HG2 GLN 53 - HB2 GLN 53 OK 27 27 - 100 - 3.0=100 Peak 1329 from cnoeabs.peaks (2.42, 2.16, 28.89 ppm; 3.40 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLU 20 + HB2 GLU 20 OK 100 100 - 100 - 3.0=100 HG2 GLN 53 - HB2 GLN 53 OK 39 39 - 100 - 3.0=100 Peak 1330 from cnoeabs.peaks (8.41, 2.04, 28.89 ppm; 3.65 A): 1 out of 12 assignments used, quality = 0.93: * H GLU 20 + HB3 GLU 20 OK 93 100 - 93 - 4.0=74, 541/1.8=32...(10) H ALA 38 - HB2 GLU 45 OK 12 37 - 33 - 2.9/4408=7, ~4410=6...(9) H ALA 38 - HB3 GLU 45 OK 11 35 - 33 - 2.9/4408=7, ~4410=6...(9) H GLU 67 - HB3 GLU 20 OK 11 97 - 11 - 1324/1.8=3, 1336/3.0=2...(4) H GLU 20 - HB2 GLU 45 poor 9 67 - 13 - 542=4, 542/1.8=3...(5) H GLU 20 - HB3 GLU 45 poor 9 65 - 13 - 542=4, 542/1.8=3...(5) H ALA 38 - HB3 GLU 20 poor 8 65 - 11 - 1324/1.8=2, 52/4.1=2...(6) H LEU 64 - HB3 GLU 20 lone 2 71 - 3 - H GLU 67 - HB2 GLU 45 lone 1 62 - 1 - H GLU 67 - HB3 GLU 45 lone 1 60 - 1 - H LEU 64 - HB2 GLU 45 lone 0 40 - 1 - H LEU 64 - HB3 GLU 45 lone 0 39 - 1 - Peak 1331 from cnoeabs.peaks (4.22, 2.04, 28.89 ppm; 3.89 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 20 + HB3 GLU 20 OK 100 100 - 100 - 3.0=100 Peak 1332 from cnoeabs.peaks (2.16, 2.04, 28.89 ppm; 2.87 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 20 + HB3 GLU 20 OK 100 100 - 100 - 1.8=100 Peak 1333 from cnoeabs.peaks (2.04, 2.04, 28.89 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 GLU 20 + HB3 GLU 20 OK 100 100 - 100 HB2 GLU 45 + HB2 GLU 45 OK 66 66 - 100 HB3 GLU 45 + HB3 GLU 45 OK 63 63 - 100 Peak 1334 from cnoeabs.peaks (2.46, 2.04, 28.89 ppm; 3.43 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 20 + HB3 GLU 20 OK 100 100 - 100 - 3.0=100 Peak 1335 from cnoeabs.peaks (2.42, 2.04, 28.89 ppm; 3.25 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLU 20 + HB3 GLU 20 OK 100 100 - 100 - 3.0=100 HG2 GLU 45 - HB2 GLU 45 OK 40 40 - 100 - 3.0=100 HG2 GLU 45 - HB3 GLU 45 OK 39 39 - 100 - 3.0=100 Peak 1336 from cnoeabs.peaks (8.41, 2.46, 35.40 ppm; 4.13 A): 2 out of 4 assignments used, quality = 0.94: * H GLU 20 + HG2 GLU 20 OK 93 100 - 93 - 5.0=55, 541/3.0=30...(12) H GLU 67 + HG2 GLU 20 OK 11 97 - 11 - 1324/3.0=3, 1342/1.8=3 H ALA 38 - HG2 GLU 20 poor 7 65 - 11 - 1324/3.0=2, 1342/1.8=2...(4) H LEU 64 - HG2 GLU 20 lone 3 71 - 4 - Peak 1337 from cnoeabs.peaks (4.22, 2.46, 35.40 ppm; 4.45 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 20 + HG2 GLU 20 OK 100 100 - 100 - 4.1=100 Peak 1338 from cnoeabs.peaks (2.16, 2.46, 35.40 ppm; 3.68 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 20 + HG2 GLU 20 OK 100 100 - 100 - 3.0=100 Peak 1339 from cnoeabs.peaks (2.04, 2.46, 35.40 ppm; 3.59 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 20 + HG2 GLU 20 OK 100 100 - 100 - 3.0=100 Peak 1340 from cnoeabs.peaks (2.46, 2.46, 35.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 20 + HG2 GLU 20 OK 100 100 - 100 Peak 1341 from cnoeabs.peaks (2.42, 2.46, 35.40 ppm; 2.60 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 20 + HG2 GLU 20 OK 100 100 - 100 - 1.8=100 Peak 1342 from cnoeabs.peaks (8.41, 2.42, 35.40 ppm; 4.18 A): 2 out of 8 assignments used, quality = 0.96: * H GLU 20 + HG3 GLU 20 OK 94 100 - 94 - 5.0=57, 543/1.8=36...(14) H GLU 20 + HG3 GLU 18 OK 31 66 - 46 - 3691/3.9=14, 949/4.9=11...(9) H GLU 67 - HG3 GLU 20 OK 12 97 - 12 - 1336/1.8=4, 1324/3.0=3 H ALA 38 - HG3 GLU 20 poor 8 65 - 12 - 1336/1.8=3, 1324/3.0=2...(4) H GLU 67 - HG3 GLU 18 lone 6 62 - 10 - 3691/3.9=3, 853/1.8=3, 942/4.9=2 H LEU 64 - HG3 GLU 20 lone 3 71 - 4 - H ALA 38 - HG3 GLU 18 lone 2 36 - 6 - 3691/3.9=1, 942/4.9=1 H LEU 64 - HG3 GLU 18 lone 1 40 - 3 - Peak 1343 from cnoeabs.peaks (4.22, 2.42, 35.40 ppm; 4.15 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 20 + HG3 GLU 20 OK 100 100 - 100 - 4.1=100 HA GLU 18 - HG3 GLU 18 OK 36 36 - 100 - 3.9=100 Peak 1344 from cnoeabs.peaks (2.16, 2.42, 35.40 ppm; 3.72 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 20 + HG3 GLU 20 OK 100 100 - 100 - 3.0=100 Peak 1345 from cnoeabs.peaks (2.04, 2.42, 35.40 ppm; 3.46 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 20 + HG3 GLU 20 OK 100 100 - 100 - 3.0=100 Peak 1346 from cnoeabs.peaks (2.46, 2.42, 35.40 ppm; 2.46 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 20 + HG3 GLU 20 OK 100 100 - 100 - 1.8=100 Peak 1347 from cnoeabs.peaks (2.42, 2.42, 35.40 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 20 + HG3 GLU 20 OK 100 100 - 100 HG3 GLU 18 + HG3 GLU 18 OK 54 54 - 100 Peak 1348 from cnoeabs.peaks (8.31, 4.07, 59.55 ppm; 3.58 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 21 + HA ARG 21 OK 100 100 - 100 - 2.9=100 Peak 1349 from cnoeabs.peaks (4.07, 4.07, 59.55 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA ARG 21 + HA ARG 21 OK 100 100 - 100 HA ARG 56 + HA ARG 56 OK 89 89 - 100 Peak 1350 from cnoeabs.peaks (1.97, 4.07, 59.55 ppm; 2.88 A): 2 out of 18 assignments used, quality = 1.00: * HB2 ARG 21 + HA ARG 21 OK 95 100 - 95 - 3.0=89, 3.0/1373=11...(21) HB3 ARG 21 + HA ARG 21 OK 95 100 - 95 - 3.0=89, 3.0/1373=11...(21) HB3 GLU 18 - HA ARG 21 OK 13 60 - 22 - ~3692=5, ~955=3...(11) HB2 GLU 18 - HA ARG 21 OK 13 60 - 22 - ~3692=5, ~955=3...(11) HD3 LYS 22 - HA ARG 21 lone 8 99 - 8 - 560/3.6=5 HB2 ARG 34 - HA ARG 21 lone 4 63 - 7 - 4.3/3713=2, 1.8/1352=2 HB2 ARG 21 - HA ARG 56 lone 3 93 - 3 - HB3 ARG 21 - HA ARG 56 lone 3 93 - 3 - HB3 GLU 67 - HA ARG 21 lone 2 99 - 2 - HD3 ARG 55 - HA ARG 21 lone 1 100 - 1 - HD3 LYS 22 - HA ARG 56 lone 1 92 - 1 - HB2 ARG 34 - HA ARG 56 lone 1 54 - 2 - HG2 PRO 32 - HA ARG 56 lone 1 82 - 1 - HG2 PRO 32 - HA ARG 21 lone 1 92 - 1 - HB3 GLU 67 - HA ARG 56 lone 1 91 - 1 - HD3 ARG 55 - HA ARG 56 lone 0 92 - 1 - HB3 GLU 18 - HA ARG 56 lone 0 51 - 1 - HB2 GLU 18 - HA ARG 56 lone 0 51 - 1 - Peak 1351 from cnoeabs.peaks (1.97, 4.07, 59.55 ppm; 2.88 A): 2 out of 20 assignments used, quality = 1.00: * HB3 ARG 21 + HA ARG 21 OK 95 100 - 95 - 3.0=89, 3.0/1373=11...(21) HB2 ARG 21 + HA ARG 21 OK 95 100 - 95 - 3.0=89, 3.0/1373=11...(21) HB3 GLU 18 - HA ARG 21 OK 15 68 - 22 - ~3692=5, ~955=3...(11) HB2 GLU 18 - HA ARG 21 OK 15 68 - 22 - ~3692=5, ~955=3...(11) HD3 LYS 22 - HA ARG 21 lone 8 98 - 8 - 560/3.6=5 HB3 ARG 21 - HA ARG 56 lone 3 93 - 3 - HB2 ARG 21 - HA ARG 56 lone 3 93 - 3 - HB3 GLU 67 - HA ARG 21 lone 2 97 - 2 - HD3 ARG 55 - HA ARG 21 lone 1 100 - 1 - HB2 MET 11 - HA ARG 21 lone 1 65 - 2 - HD3 LYS 22 - HA ARG 56 lone 1 89 - 1 - HG2 PRO 32 - HA ARG 56 lone 1 86 - 1 - HG2 PRO 32 - HA ARG 21 lone 1 96 - 1 - HB3 GLU 67 - HA ARG 56 lone 0 88 - 1 - HD3 ARG 55 - HA ARG 56 lone 0 93 - 1 - HB3 GLN 63 - HA ARG 21 lone 0 65 - 1 - HB3 GLU 18 - HA ARG 56 lone 0 59 - 1 - HB2 GLU 18 - HA ARG 56 lone 0 59 - 1 - HB2 MET 11 - HA ARG 56 lone 0 56 - 1 - HB3 GLN 63 - HA ARG 56 lone 0 56 - 0 - Peak 1352 from cnoeabs.peaks (1.86, 4.07, 59.55 ppm; 3.41 A): 2 out of 16 assignments used, quality = 0.94: * HG2 ARG 21 + HA ARG 21 OK 92 100 - 92 - 3.9=64, 1.8/1353=17...(20) HB ILE 17 + HA ARG 21 OK 29 81 - 36 - ~956=8, ~4135=7...(10) HG LEU 41 - HA ARG 21 OK 18 99 - 19 - 62/3.6=3, 549/2.9=2...(10) HB3 ARG 34 - HA ARG 21 OK 11 100 - 11 - 4.3/3713=3, 62/3.6=2, 549/2.9=2 HG2 ARG 21 - HA ARG 56 lone 7 93 - 7 - 1373=2, 1.8/1381=1 HG LEU 41 - HA ARG 56 lone 6 90 - 7 - ~4439=1 HB2 GLU 33 - HA ARG 21 lone 3 73 - 4 - HB ILE 17 - HA ARG 56 lone 3 70 - 4 - 3370/3.6=3 HB3 ARG 34 - HA ARG 56 lone 2 93 - 2 - HB3 MET 11 - HA ARG 21 lone 2 73 - 3 - HB2 GLU 33 - HA ARG 56 lone 2 64 - 3 - HB3 LYS 49 - HA ARG 21 lone 2 78 - 2 - HB2 LYS 60 - HA ARG 21 lone 1 73 - 1 - HB3 LYS 49 - HA ARG 56 lone 1 68 - 1 - HB2 LYS 60 - HA ARG 56 lone 1 64 - 1 - HB3 MET 11 - HA ARG 56 lone 1 64 - 1 - Peak 1353 from cnoeabs.peaks (1.60, 4.07, 59.55 ppm; 3.59 A): 1 out of 20 assignments used, quality = 0.96: * HG3 ARG 21 + HA ARG 21 OK 96 100 - 96 - 3.9=75, 1.8/1373=24...(22) HB2 LEU 41 - HA ARG 21 OK 18 95 - 19 - 4.6/4466=3, 3.0/1352=3...(8) HB3 LEU 43 - HA ARG 21 OK 17 100 - 17 - 4.0/4486=3, 550/2.9=2...(9) HG2 ARG 61 - HA ARG 21 OK 11 99 - 11 - 1381=3, 63/3.6=2...(4) HG3 ARG 61 - HA ARG 21 OK 11 98 - 11 - 1381=3, 63/3.6=2...(4) HG3 ARG 21 - HA ARG 56 lone 7 93 - 7 - 1.8/1373=2, 1381=2 HB2 LEU 41 - HA ARG 56 lone 7 85 - 8 - 4.6/4466=1, 4.0/1007=1...(5) HG3 ARG 34 - HA ARG 21 lone 6 87 - 7 - 3.0/1352=2, 63/3.6=1, 550/2.9=1 HB3 LEU 43 - HA ARG 56 lone 4 93 - 5 - 4.0/4486=1, ~281=1 HG LEU 68 - HA ARG 21 lone 3 97 - 3 - 4.9/3713=1 HB3 LEU 68 - HA ARG 21 lone 2 65 - 3 - 3.8/3713=1 HB3 GLN 15 - HA ARG 21 lone 2 60 - 3 - HB3 LEU 64 - HA ARG 21 lone 2 95 - 2 - HG3 ARG 34 - HA ARG 56 lone 1 77 - 2 - HG2 ARG 61 - HA ARG 56 lone 1 90 - 1 - HG3 ARG 61 - HA ARG 56 lone 1 89 - 1 - HG LEU 68 - HA ARG 56 lone 1 87 - 1 - HB3 LEU 64 - HA ARG 56 lone 1 85 - 1 - HB3 LEU 68 - HA ARG 56 lone 1 56 - 1 - HB3 GLN 15 - HA ARG 56 lone 0 51 - 1 - Peak 1354 from cnoeabs.peaks (3.20, 4.07, 59.55 ppm; 4.21 A): 1 out of 12 assignments used, quality = 0.95: * HD2 ARG 21 + HA ARG 21 OK 95 100 - 95 - 4.9=65, 2.9/1373=25...(19) HB3 HIS 36 - HA ARG 21 OK 11 96 - 12 - 4.0/4626=2, 551/2.9=2...(6) HB2 HIS 36 - HA ARG 21 OK 11 96 - 12 - 4.0/4626=2, 551/2.9=2...(6) HA VAL 16 - HA ARG 21 OK 10 71 - 15 - 551/2.9=4, ~4060=3...(5) HD2 ARG 21 - HA ARG 56 lone 6 93 - 6 - 2.9/1373=2, 2.9/1381=1 HB3 HIS 36 - HA ARG 56 lone 5 86 - 6 - 4.0/4626=1 HB2 HIS 36 - HA ARG 56 lone 5 86 - 6 - 4.0/4626=1 HB2 HIS 13 - HA ARG 21 lone 2 96 - 2 - HB2 HIS 10 - HA ARG 21 lone 2 100 - 2 - HA VAL 16 - HA ARG 56 lone 2 61 - 3 - 4042/3.6=2 HB2 HIS 10 - HA ARG 56 lone 2 93 - 2 - HB2 HIS 13 - HA ARG 56 lone 1 86 - 1 - Peak 1355 from cnoeabs.peaks (3.23, 4.07, 59.55 ppm; 4.62 A): 1 out of 6 assignments used, quality = 0.98: * HD3 ARG 21 + HA ARG 21 OK 98 100 - 98 - 4.9=86, 2.9/1373=28...(17) HA VAL 16 - HA ARG 21 OK 26 98 - 27 - 552/2.9=10, 1371/3.0=4...(7) HD3 ARG 21 - HA ARG 56 lone 7 93 - 7 - 2.9/1373=2, 2.9/1381=2 HA VAL 16 - HA ARG 56 lone 5 89 - 5 - 4042/3.6=3 HB2 HIS 13 - HA ARG 21 lone 3 78 - 3 - 552/2.9=1 HB2 HIS 13 - HA ARG 56 lone 1 68 - 2 - Peak 1356 from cnoeabs.peaks (8.31, 1.97, 30.19 ppm; 3.21 A): 2 out of 12 assignments used, quality = 0.97: * H ARG 21 + HB2 ARG 21 OK 84 100 - 84 - 4.0=51, 547/1.8=15...(17) H ARG 21 + HB3 ARG 21 OK 84 100 - 84 - 4.0=51, 547/1.8=15...(17) H LEU 43 - HB2 ARG 21 OK 10 89 - 11 - 4486/3.0=3, 1372/3.0=2...(6) H LEU 43 - HB3 ARG 21 poor 10 88 - 11 - 4486/3.0=3, 1372/3.0=2...(6) H LYS 62 - HB3 ARG 21 lone 4 97 - 4 - 58/4.5=2 H LYS 62 - HB2 ARG 21 lone 4 97 - 4 - 58/4.5=2 H ASN 54 - HB2 ARG 21 lone 3 89 - 4 - 58/4.5=2 H ASN 54 - HB3 ARG 21 lone 3 88 - 4 - 58/4.5=2 H ARG 21 - HB3 GLU 67 lone 3 74 - 4 - 52/4.0=2 H LEU 43 - HB3 GLU 67 lone 1 59 - 1 - H ASN 54 - HB3 GLU 67 lone 1 59 - 1 - H LYS 62 - HB3 GLU 67 lone 0 69 - 1 - Peak 1357 from cnoeabs.peaks (4.07, 1.97, 30.19 ppm; 3.28 A): 2 out of 2 assignments used, quality = 1.00: * HA ARG 21 + HB2 ARG 21 OK 100 100 - 100 - 3.0=100 HA ARG 21 + HB3 ARG 21 OK 100 100 - 100 - 3.0=100 Peak 1358 from cnoeabs.peaks (1.97, 1.97, 30.19 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB2 ARG 21 + HB2 ARG 21 OK 100 100 - 100 HB3 ARG 21 + HB3 ARG 21 OK 100 100 - 100 HB3 GLU 67 + HB3 GLU 67 OK 71 71 - 100 Peak 1359 from cnoeabs.peaks (1.97, 1.97, 30.19 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB2 ARG 21 + HB2 ARG 21 OK 100 100 - 100 HB3 ARG 21 + HB3 ARG 21 OK 100 100 - 100 HB3 GLU 67 + HB3 GLU 67 OK 69 69 - 100 Reference assignment not found: HB3 ARG 21 - HB2 ARG 21 Peak 1360 from cnoeabs.peaks (1.86, 1.97, 30.19 ppm; 2.80 A): 2 out of 24 assignments used, quality = 0.99: * HG2 ARG 21 + HB2 ARG 21 OK 93 100 - 93 - 3.0=84, 1374/1.8=13...(17) HG2 ARG 21 + HB3 ARG 21 OK 93 100 - 93 - 3.0=84, 1374/1.8=13...(17) HB ILE 17 - HB2 ARG 21 OK 21 81 - 27 - ~4807=4, ~4806=4...(10) HB ILE 17 - HB3 ARG 21 OK 21 80 - 27 - ~4807=4, ~4806=4...(10) HG LEU 41 - HB2 ARG 21 OK 11 99 - 11 - 2.1/4451=2, 1352/3.0=2...(6) HG LEU 41 - HB3 ARG 21 OK 11 98 - 11 - 2.1/4451=2, 1352/3.0=2...(6) HB3 ARG 34 - HB2 ARG 21 lone 5 100 - 5 - 1352/3.0=1, 62/4.5=1 HB3 ARG 34 - HB3 ARG 21 lone 5 100 - 5 - 1352/3.0=1, 62/4.5=1 HB2 GLU 33 - HB2 ARG 21 lone 2 73 - 3 - HB2 GLU 33 - HB3 ARG 21 lone 2 72 - 3 - HG LEU 41 - HB3 GLU 67 lone 2 70 - 2 - HB3 MET 11 - HB3 ARG 21 lone 2 72 - 2 - HB3 MET 11 - HB2 ARG 21 lone 2 73 - 2 - HB3 ARG 34 - HB3 GLU 67 lone 1 74 - 1 - HG2 ARG 21 - HB3 GLU 67 lone 1 74 - 1 - HB3 LYS 49 - HB2 ARG 21 lone 1 78 - 1 - HB3 LYS 49 - HB3 ARG 21 lone 1 77 - 1 - HB2 GLU 33 - HB3 GLU 67 lone 1 47 - 1 - HB2 LYS 60 - HB2 ARG 21 lone 1 73 - 1 - HB2 LYS 60 - HB3 ARG 21 lone 1 72 - 1 - HB ILE 17 - HB3 GLU 67 lone 0 52 - 1 - HB3 MET 11 - HB3 GLU 67 lone 0 47 - 0 - HB3 LYS 49 - HB3 GLU 67 lone 0 51 - 0 - HB2 LYS 60 - HB3 GLU 67 lone 0 47 - 0 - Peak 1361 from cnoeabs.peaks (1.60, 1.97, 30.19 ppm; 3.29 A): 2 out of 2 assignments used, quality = 1.00: * HG3 ARG 21 + HB2 ARG 21 OK 100 100 - 100 - 3.0=100 HG3 ARG 21 + HB3 ARG 21 OK 100 100 - 100 - 3.0=100 Peak 1362 from cnoeabs.peaks (3.20, 1.97, 30.19 ppm; 3.66 A): 2 out of 2 assignments used, quality = 1.00: * HD2 ARG 21 + HB2 ARG 21 OK 100 100 - 100 - 3.5=100 HD2 ARG 21 + HB3 ARG 21 OK 100 100 - 100 - 3.5=100 Peak 1363 from cnoeabs.peaks (3.23, 1.97, 30.19 ppm; 3.47 A): 2 out of 9 assignments used, quality = 1.00: * HD3 ARG 21 + HB2 ARG 21 OK 98 100 - 98 - 3.5=95, 2.9/1374=13...(15) HD3 ARG 21 + HB3 ARG 21 OK 98 100 - 98 - 3.5=95, 2.9/1374=13...(15) HA VAL 16 - HB2 ARG 21 OK 27 98 - 27 - 552/4.0=4, 3.2/4060=4...(10) HA VAL 16 - HB3 ARG 21 OK 26 97 - 27 - 552/4.0=4, 3.2/4060=4...(10) HA VAL 16 - HB3 GLU 67 lone 3 70 - 4 - HB2 HIS 13 - HB2 ARG 21 lone 1 78 - 2 - HB2 HIS 13 - HB3 ARG 21 lone 1 77 - 2 - HD3 ARG 21 - HB3 GLU 67 lone 1 74 - 1 - HB2 HIS 13 - HB3 GLU 67 lone 0 51 - 1 - Peak 1364 from cnoeabs.peaks (8.31, 1.97, 30.19 ppm; 3.21 A): 2 out of 12 assignments used, quality = 0.97: * H ARG 21 + HB3 ARG 21 OK 84 100 - 84 - 4.0=51, 547/1.8=15...(17) H ARG 21 + HB2 ARG 21 OK 84 100 - 84 - 4.0=51, 547/1.8=15...(17) H LEU 43 - HB3 ARG 21 poor 10 89 - 11 - 4486/3.0=3, 1372/3.0=2...(6) H LEU 43 - HB2 ARG 21 poor 10 88 - 11 - 4486/3.0=3, 1372/3.0=2...(6) H LYS 62 - HB3 ARG 21 lone 4 97 - 4 - 58/4.5=2 H LYS 62 - HB2 ARG 21 lone 3 97 - 4 - 58/4.5=2 H ASN 54 - HB3 ARG 21 lone 3 89 - 4 - 58/4.5=2 H ASN 54 - HB2 ARG 21 lone 3 88 - 4 - 58/4.5=2 H ARG 21 - HB3 GLU 67 lone 3 68 - 4 - 52/4.0=2 H LEU 43 - HB3 GLU 67 lone 1 54 - 1 - H ASN 54 - HB3 GLU 67 lone 0 54 - 1 - H LYS 62 - HB3 GLU 67 lone 0 63 - 1 - Peak 1365 from cnoeabs.peaks (4.07, 1.97, 30.19 ppm; 3.28 A): 2 out of 2 assignments used, quality = 1.00: * HA ARG 21 + HB3 ARG 21 OK 100 100 - 100 - 3.0=100 HA ARG 21 + HB2 ARG 21 OK 100 100 - 100 - 3.0=100 Peak 1366 from cnoeabs.peaks (1.97, 1.97, 30.19 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB3 ARG 21 + HB3 ARG 21 OK 100 100 - 100 HB2 ARG 21 + HB2 ARG 21 OK 100 100 - 100 HB3 GLU 67 + HB3 GLU 67 OK 65 65 - 100 Reference assignment not found: HB2 ARG 21 - HB3 ARG 21 Peak 1367 from cnoeabs.peaks (1.97, 1.97, 30.19 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 ARG 21 + HB3 ARG 21 OK 100 100 - 100 HB2 ARG 21 + HB2 ARG 21 OK 100 100 - 100 HB3 GLU 67 + HB3 GLU 67 OK 63 63 - 100 Peak 1368 from cnoeabs.peaks (1.86, 1.97, 30.19 ppm; 2.80 A): 2 out of 24 assignments used, quality = 0.99: * HG2 ARG 21 + HB3 ARG 21 OK 93 100 - 93 - 3.0=84, 1374/1.8=13...(17) HG2 ARG 21 + HB2 ARG 21 OK 93 100 - 93 - 3.0=84, 1374/1.8=13...(17) HB ILE 17 - HB3 ARG 21 OK 21 81 - 27 - ~4807=4, ~4806=4...(10) HB ILE 17 - HB2 ARG 21 OK 21 80 - 27 - ~4807=4, ~4806=4...(10) HG LEU 41 - HB3 ARG 21 OK 11 99 - 12 - 2.1/4451=2, 1352/3.0=2...(6) HG LEU 41 - HB2 ARG 21 OK 11 98 - 12 - 2.1/4451=2, 1352/3.0=2...(6) HB3 ARG 34 - HB2 ARG 21 lone 5 100 - 5 - 1352/3.0=1, 62/4.5=1 HB3 ARG 34 - HB3 ARG 21 lone 4 100 - 4 - 1352/3.0=1, 62/4.5=1 HB2 GLU 33 - HB2 ARG 21 lone 2 72 - 3 - HB2 GLU 33 - HB3 ARG 21 lone 2 73 - 3 - HG LEU 41 - HB3 GLU 67 lone 2 65 - 2 - HB3 MET 11 - HB3 ARG 21 lone 2 73 - 2 - HB3 MET 11 - HB2 ARG 21 lone 2 72 - 2 - HB3 ARG 34 - HB3 GLU 67 lone 1 68 - 1 - HG2 ARG 21 - HB3 GLU 67 lone 1 68 - 1 - HB3 LYS 49 - HB3 ARG 21 lone 1 78 - 1 - HB3 LYS 49 - HB2 ARG 21 lone 1 77 - 1 - HB2 LYS 60 - HB3 ARG 21 lone 1 73 - 1 - HB2 GLU 33 - HB3 GLU 67 lone 1 42 - 1 - HB2 LYS 60 - HB2 ARG 21 lone 1 72 - 1 - HB ILE 17 - HB3 GLU 67 lone 0 48 - 1 - HB3 MET 11 - HB3 GLU 67 lone 0 42 - 0 - HB3 LYS 49 - HB3 GLU 67 lone 0 46 - 0 - HB2 LYS 60 - HB3 GLU 67 lone 0 42 - 0 - Peak 1369 from cnoeabs.peaks (1.60, 1.97, 30.19 ppm; 3.29 A): 2 out of 2 assignments used, quality = 1.00: * HG3 ARG 21 + HB3 ARG 21 OK 100 100 - 100 - 3.0=100 HG3 ARG 21 + HB2 ARG 21 OK 100 100 - 100 - 3.0=100 Peak 1370 from cnoeabs.peaks (3.20, 1.97, 30.19 ppm; 3.66 A): 2 out of 2 assignments used, quality = 1.00: * HD2 ARG 21 + HB3 ARG 21 OK 100 100 - 100 - 3.5=100 HD2 ARG 21 + HB2 ARG 21 OK 100 100 - 100 - 3.5=100 Peak 1371 from cnoeabs.peaks (3.23, 1.97, 30.19 ppm; 3.47 A): 2 out of 9 assignments used, quality = 1.00: * HD3 ARG 21 + HB3 ARG 21 OK 98 100 - 98 - 3.5=95, 2.9/1374=13...(15) HD3 ARG 21 + HB2 ARG 21 OK 98 100 - 98 - 3.5=95, 2.9/1374=13...(15) HA VAL 16 - HB3 ARG 21 OK 27 98 - 27 - 552/4.0=4, 3.2/4060=4...(10) HA VAL 16 - HB2 ARG 21 OK 26 97 - 27 - 552/4.0=4, 3.2/4060=4...(10) HA VAL 16 - HB3 GLU 67 lone 3 64 - 4 - HB2 HIS 13 - HB3 ARG 21 lone 1 78 - 2 - HB2 HIS 13 - HB2 ARG 21 lone 1 77 - 2 - HD3 ARG 21 - HB3 GLU 67 lone 1 68 - 1 - HB2 HIS 13 - HB3 GLU 67 lone 0 46 - 1 - Peak 1372 from cnoeabs.peaks (8.31, 1.86, 27.31 ppm; 4.33 A): 1 out of 4 assignments used, quality = 0.97: * H ARG 21 + HG2 ARG 21 OK 97 100 - 97 - 4.7=78, 2.9/1373=26...(18) H LEU 43 - HG2 ARG 21 OK 14 89 - 16 - 4486/3.9=4, 684/1.8=3...(5) H ASN 54 - HG2 ARG 21 lone 5 89 - 6 - 4.6/3394=2 H LYS 62 - HG2 ARG 21 lone 5 97 - 5 - 329/1.8=1 Peak 1373 from cnoeabs.peaks (4.07, 1.86, 27.31 ppm; 3.80 A): 1 out of 8 assignments used, quality = 0.98: * HA ARG 21 + HG2 ARG 21 OK 98 100 - 98 - 3.9=89, 1353/1.8=20...(20) HA LEU 37 - HG2 ARG 21 lone 8 97 - 8 - HA ARG 56 - HG2 ARG 21 lone 8 98 - 8 - 1352=2, 1381/1.8=2, 1355/2.9=1 HA GLU 33 - HG2 ARG 21 lone 8 100 - 7 - 1381/1.8=1, 3.6/625=1 HA LYS 39 - HG2 ARG 21 lone 7 97 - 7 - 3.6/3394=2, 1381/1.8=1 HB THR 46 - HG2 ARG 21 lone 4 97 - 4 - HB THR 14 - HG2 ARG 21 lone 3 68 - 4 - 4007/4807=2 HA SER 24 - HG2 ARG 21 lone 2 99 - 2 - Peak 1374 from cnoeabs.peaks (1.97, 1.86, 27.31 ppm; 2.93 A): 2 out of 9 assignments used, quality = 1.00: * HB2 ARG 21 + HG2 ARG 21 OK 98 100 - 98 - 3.0=96, 1.8/1368=12...(17) HB3 ARG 21 + HG2 ARG 21 OK 98 100 - 98 - 3.0=96, 1.8/1360=12...(17) HB2 GLU 18 - HG2 ARG 21 OK 16 60 - 27 - 3.0/4138=8, ~4140=4...(10) HB3 GLU 18 - HG2 ARG 21 OK 16 60 - 27 - 3.0/4138=8, ~4140=4...(10) HD3 LYS 22 - HG2 ARG 21 lone 5 99 - 5 - 6.1/62=2 HB2 ARG 34 - HG2 ARG 21 lone 3 63 - 4 - 4.3/142=1 HB3 GLU 67 - HG2 ARG 21 lone 1 99 - 1 - HG2 PRO 32 - HG2 ARG 21 lone 1 92 - 1 - HD3 ARG 55 - HG2 ARG 21 lone 1 100 - 1 - Peak 1375 from cnoeabs.peaks (1.97, 1.86, 27.31 ppm; 2.93 A): 2 out of 10 assignments used, quality = 1.00: * HB3 ARG 21 + HG2 ARG 21 OK 98 100 - 98 - 3.0=96, 1.8/1360=12...(17) HB2 ARG 21 + HG2 ARG 21 OK 98 100 - 98 - 3.0=96, 1.8/1368=12...(17) HB3 GLU 18 - HG2 ARG 21 OK 18 68 - 27 - 3.0/4138=8, ~4140=4...(10) HB2 GLU 18 - HG2 ARG 21 OK 18 68 - 27 - 3.0/4138=8, ~4140=4...(10) HD3 LYS 22 - HG2 ARG 21 lone 5 98 - 5 - 6.1/62=2 HB3 GLU 67 - HG2 ARG 21 lone 1 97 - 1 - HG2 PRO 32 - HG2 ARG 21 lone 1 96 - 1 - HB2 MET 11 - HG2 ARG 21 lone 1 65 - 1 - HD3 ARG 55 - HG2 ARG 21 lone 1 100 - 1 - HB3 GLN 63 - HG2 ARG 21 lone 1 65 - 1 - Peak 1376 from cnoeabs.peaks (1.86, 1.86, 27.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 ARG 21 + HG2 ARG 21 OK 100 100 - 100 Peak 1377 from cnoeabs.peaks (1.60, 1.86, 27.31 ppm; 2.65 A): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 21 + HG2 ARG 21 OK 100 100 - 100 - 1.8=100 Peak 1378 from cnoeabs.peaks (3.20, 1.86, 27.31 ppm; 3.46 A): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 21 + HG2 ARG 21 OK 100 100 - 100 - 2.9=100 Peak 1379 from cnoeabs.peaks (3.23, 1.86, 27.31 ppm; 3.40 A): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 21 + HG2 ARG 21 OK 100 100 - 100 - 2.9=100 Peak 1380 from cnoeabs.peaks (8.31, 1.60, 27.31 ppm; 4.66 A): 3 out of 12 assignments used, quality = 1.00: * H ARG 21 + HG3 ARG 21 OK 100 100 - 100 - 4.7=97, 1372/1.8=34...(16) H LYS 62 + HG2 ARG 61 OK 86 91 - 95 - 5.0=82, 328/2.9=32...(13) H LYS 62 + HG3 ARG 61 OK 84 89 - 95 - 5.0=82, 328/2.9=32...(13) H LEU 43 - HG3 ARG 21 OK 19 89 - 21 - 1372/1.8=5, 4486/3.9=5...(6) H ARG 21 - HG2 ARG 61 OK 15 96 - 16 - 550=3, 4.6/63=3...(6) H ARG 21 - HG3 ARG 61 OK 15 94 - 16 - 550=3, 4.6/63=3...(6) H LYS 62 - HG3 ARG 21 lone 8 97 - 8 - 1372/1.8=2, 329=2 H ASN 54 - HG3 ARG 21 lone 6 89 - 7 - 1372/1.8=2, 4.6/3395=1 H LEU 43 - HG2 ARG 61 lone 4 81 - 5 - H LEU 43 - HG3 ARG 61 lone 4 79 - 5 - H ASN 54 - HG2 ARG 61 lone 2 81 - 2 - H ASN 54 - HG3 ARG 61 lone 2 79 - 2 - Peak 1381 from cnoeabs.peaks (4.07, 1.60, 27.31 ppm; 3.76 A): 1 out of 24 assignments used, quality = 0.98: * HA ARG 21 + HG3 ARG 21 OK 98 100 - 98 - 3.9=86, 1373/1.8=26...(22) HA ARG 21 - HG2 ARG 61 OK 12 96 - 12 - 1353=3, 3.6/63=2...(5) HA ARG 21 - HG3 ARG 61 OK 12 94 - 12 - 1353=3, 3.6/63=2...(5) HB THR 46 - HG2 ARG 61 lone 8 90 - 9 - ~4687=4, ~4534=2, 3.0/4534=1 HA ARG 56 - HG3 ARG 21 lone 8 98 - 8 - 1373/1.8=2, 1353=2, 1355/2.9=1 HB THR 46 - HG3 ARG 61 lone 8 88 - 9 - ~4687=4, ~4534=2, 3.0/4534=1 HA GLU 33 - HG3 ARG 21 lone 7 100 - 6 - 1373/1.8=2 HA LYS 39 - HG3 ARG 21 lone 6 97 - 6 - 1373/1.8=2, 3.6/3395=1 HA LEU 37 - HG3 ARG 21 lone 5 97 - 5 - 1373/1.8=2 HB THR 46 - HG3 ARG 21 lone 4 97 - 4 - 1373/1.8=1 HB THR 14 - HG3 ARG 21 lone 2 68 - 4 - 4007/4808=1 HA LYS 39 - HG2 ARG 61 lone 2 90 - 3 - 5.0/4414=1 HA LYS 39 - HG3 ARG 61 lone 2 88 - 3 - 5.0/4414=1 HA SER 24 - HG3 ARG 21 lone 2 99 - 2 - HA GLU 33 - HG2 ARG 61 lone 2 96 - 2 - HA GLU 33 - HG3 ARG 61 lone 2 94 - 2 - HA LEU 37 - HG2 ARG 61 lone 1 90 - 2 - HA LEU 37 - HG3 ARG 61 lone 1 88 - 2 - HA ARG 56 - HG2 ARG 61 lone 1 92 - 1 - HA ARG 56 - HG3 ARG 61 lone 1 90 - 1 - HA SER 24 - HG2 ARG 61 lone 1 93 - 1 - HA SER 24 - HG3 ARG 61 lone 1 92 - 1 - HB THR 14 - HG2 ARG 61 lone 1 61 - 1 - HB THR 14 - HG3 ARG 61 lone 1 59 - 1 - Peak 1382 from cnoeabs.peaks (1.97, 1.60, 27.31 ppm; 3.28 A): 2 out of 2 assignments used, quality = 1.00: * HB2 ARG 21 + HG3 ARG 21 OK 100 100 - 100 - 3.0=100 HB3 ARG 21 + HG3 ARG 21 OK 100 100 - 100 - 3.0=100 Peak 1383 from cnoeabs.peaks (1.97, 1.60, 27.31 ppm; 3.28 A): 2 out of 2 assignments used, quality = 1.00: * HB3 ARG 21 + HG3 ARG 21 OK 100 100 - 100 - 3.0=100 HB2 ARG 21 + HG3 ARG 21 OK 100 100 - 100 - 3.0=100 Peak 1384 from cnoeabs.peaks (1.86, 1.60, 27.31 ppm; 2.63 A): 1 out of 1 assignment used, quality = 1.00: * HG2 ARG 21 + HG3 ARG 21 OK 100 100 - 100 - 1.8=100 Peak 1385 from cnoeabs.peaks (1.60, 1.60, 27.31 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG3 ARG 21 + HG3 ARG 21 OK 100 100 - 100 HG2 ARG 61 + HG2 ARG 61 OK 93 93 - 100 HG3 ARG 61 + HG3 ARG 61 OK 90 90 - 100 Peak 1386 from cnoeabs.peaks (3.20, 1.60, 27.31 ppm; 3.35 A): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 21 + HG3 ARG 21 OK 100 100 - 100 - 2.9=100 Peak 1387 from cnoeabs.peaks (3.23, 1.60, 27.31 ppm; 3.31 A): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 21 + HG3 ARG 21 OK 100 100 - 100 - 2.9=100 Peak 1389 from cnoeabs.peaks (4.07, 3.20, 43.43 ppm; 5.23 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 21 + HD2 ARG 21 OK 100 100 - 100 - 4.9=100 Peak 1390 from cnoeabs.peaks (1.97, 3.20, 43.43 ppm; 3.59 A): 2 out of 2 assignments used, quality = 1.00: * HB2 ARG 21 + HD2 ARG 21 OK 100 100 - 100 - 3.5=100 HB3 ARG 21 + HD2 ARG 21 OK 100 100 - 100 - 3.5=100 Peak 1391 from cnoeabs.peaks (1.97, 3.20, 43.43 ppm; 3.59 A): 2 out of 2 assignments used, quality = 1.00: * HB3 ARG 21 + HD2 ARG 21 OK 100 100 - 100 - 3.5=100 HB2 ARG 21 + HD2 ARG 21 OK 100 100 - 100 - 3.5=100 Peak 1392 from cnoeabs.peaks (1.86, 3.20, 43.43 ppm; 3.45 A): 1 out of 1 assignment used, quality = 1.00: * HG2 ARG 21 + HD2 ARG 21 OK 100 100 - 100 - 2.9=100 Peak 1393 from cnoeabs.peaks (1.60, 3.20, 43.43 ppm; 3.40 A): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 21 + HD2 ARG 21 OK 100 100 - 100 - 2.9=100 Peak 1394 from cnoeabs.peaks (3.20, 3.20, 43.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 21 + HD2 ARG 21 OK 100 100 - 100 Peak 1395 from cnoeabs.peaks (3.23, 3.20, 43.43 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 21 + HD2 ARG 21 OK 100 100 - 100 - 1.8=100 Peak 1397 from cnoeabs.peaks (4.07, 3.23, 43.43 ppm; 5.03 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 21 + HD3 ARG 21 OK 100 100 - 100 - 4.9=100 Peak 1398 from cnoeabs.peaks (1.97, 3.23, 43.43 ppm; 3.59 A): 2 out of 2 assignments used, quality = 1.00: * HB2 ARG 21 + HD3 ARG 21 OK 100 100 - 100 - 3.5=100 HB3 ARG 21 + HD3 ARG 21 OK 100 100 - 100 - 3.5=100 Peak 1399 from cnoeabs.peaks (1.97, 3.23, 43.43 ppm; 3.59 A): 2 out of 2 assignments used, quality = 1.00: * HB3 ARG 21 + HD3 ARG 21 OK 100 100 - 100 - 3.5=100 HB2 ARG 21 + HD3 ARG 21 OK 100 100 - 100 - 3.5=100 Peak 1400 from cnoeabs.peaks (1.86, 3.23, 43.43 ppm; 3.42 A): 1 out of 1 assignment used, quality = 1.00: * HG2 ARG 21 + HD3 ARG 21 OK 100 100 - 100 - 2.9=100 Peak 1401 from cnoeabs.peaks (1.60, 3.23, 43.43 ppm; 3.37 A): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 21 + HD3 ARG 21 OK 100 100 - 100 - 2.9=100 Peak 1402 from cnoeabs.peaks (3.20, 3.23, 43.43 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 21 + HD3 ARG 21 OK 100 100 - 100 - 1.8=100 Peak 1403 from cnoeabs.peaks (3.23, 3.23, 43.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 21 + HD3 ARG 21 OK 100 100 - 100 Peak 1404 from cnoeabs.peaks (8.03, 4.35, 57.92 ppm; 3.66 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 22 + HA LYS 22 OK 100 100 - 100 - 2.9=100 Peak 1405 from cnoeabs.peaks (4.35, 4.35, 57.92 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 22 + HA LYS 22 OK 100 100 - 100 Peak 1406 from cnoeabs.peaks (2.06, 4.35, 57.92 ppm; 3.45 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 22 + HA LYS 22 OK 100 100 - 100 - 3.0=100 Peak 1407 from cnoeabs.peaks (2.38, 4.35, 57.92 ppm; 3.89 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 22 + HA LYS 22 OK 100 100 - 100 - 3.0=100 Peak 1408 from cnoeabs.peaks (1.71, 4.35, 57.92 ppm; 3.77 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 22 + HA LYS 22 OK 100 100 - 100 - 3.7=100 Peak 1409 from cnoeabs.peaks (1.68, 4.35, 57.92 ppm; 3.84 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 22 + HA LYS 22 OK 100 100 - 100 - 3.7=100 Peak 1410 from cnoeabs.peaks (1.82, 4.35, 57.92 ppm; 3.47 A): 1 out of 9 assignments used, quality = 0.82: * HD2 LYS 22 + HA LYS 22 OK 82 100 - 82 - 4.9=35, 1.8/1465=22...(17) HB ILE 17 - HA LYS 22 poor 9 85 - 11 - 1211/2.9=2, ~1218=2, 4.5/1062=2 HB2 ARG 61 - HA LYS 22 lone 7 99 - 8 - 559/2.9=2, ~557=1, ~63=1, ~958=1 HB3 GLN 47 - HA LYS 22 lone 5 99 - 5 - 559/2.9=1 HB2 LYS 62 - HA LYS 22 lone 2 98 - 2 - 559/2.9=1 HB3 MET 11 - HA LYS 22 lone 2 90 - 2 - HB2 LYS 58 - HA LYS 22 lone 2 89 - 2 - HB2 PRO 32 - HA LYS 22 lone 1 76 - 2 - HB2 LYS 60 - HA LYS 22 lone 1 90 - 1 - Peak 1411 from cnoeabs.peaks (1.96, 4.35, 57.92 ppm; 3.29 A): 4 out of 8 assignments used, quality = 0.90: * HD3 LYS 22 + HA LYS 22 OK 75 100 - 75 - 4.9=30, 1.8/1410=24...(14) HB2 ARG 21 + HA LYS 22 OK 32 99 - 32 - 560/2.9=7, ~61=4, ~60=4...(10) HB3 ARG 21 + HA LYS 22 OK 31 98 - 32 - 560/2.9=7, ~560=4, ~61=4...(10) HB ILE 50 + HA LYS 22 OK 15 73 - 20 - 2.1/4149=5, ~4150=3...(8) HB2 ARG 34 - HA LYS 22 lone 6 78 - 7 - 4829/3.6=3, ~62=1, 560/2.9=1 HB3 GLU 67 - HA LYS 22 lone 2 100 - 2 - HD3 ARG 55 - HA LYS 22 lone 1 97 - 1 - HG2 PRO 32 - HA LYS 22 lone 1 81 - 1 - Peak 1412 from cnoeabs.peaks (2.80, 4.35, 57.92 ppm; 5.22 A): 1 out of 1 assignment used, quality = 0.95: * HE2 LYS 22 + HA LYS 22 OK 95 100 - 95 - 6.4=54, 1.8/1413=42...(11) Peak 1413 from cnoeabs.peaks (2.95, 4.35, 57.92 ppm; 4.81 A): 1 out of 4 assignments used, quality = 0.91: * HE3 LYS 22 + HA LYS 22 OK 91 100 - 91 - 6.4=42, 1.8/1412=35...(11) HE2 LYS 49 - HA LYS 22 lone 2 60 - 3 - HE3 LYS 49 - HA LYS 22 lone 2 60 - 3 - HB2 TYR 28 - HA LYS 22 lone 2 100 - 2 - Peak 1414 from cnoeabs.peaks (8.03, 2.06, 30.62 ppm; 3.73 A): 1 out of 6 assignments used, quality = 0.95: * H LYS 22 + HB2 LYS 22 OK 95 100 - 95 - 4.0=79, 556/1.8=26...(14) H GLN 53 - HB2 LYS 22 OK 28 100 - 29 - 753/1.8=8, 1043/3.0=5...(8) H ILE 17 - HB2 LYS 22 OK 13 83 - 16 - 3.0/3688=2, 29=2...(7) H GLN 47 - HB2 LYS 22 OK 13 78 - 16 - 707/1.8=2, 705/3.5=2...(8) H ASN 40 - HB2 LYS 22 OK 11 96 - 12 - 1444/2.9=2, 1434/2.9=2...(5) H LEU 41 - HB2 LYS 22 lone 6 65 - 8 - 175/4.0=2, 1464/3.5=1 Peak 1415 from cnoeabs.peaks (4.35, 2.06, 30.62 ppm; 3.78 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 22 + HB2 LYS 22 OK 100 100 - 100 - 3.0=100 Peak 1416 from cnoeabs.peaks (2.06, 2.06, 30.62 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 22 + HB2 LYS 22 OK 100 100 - 100 Peak 1417 from cnoeabs.peaks (2.38, 2.06, 30.62 ppm; 3.12 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 22 + HB2 LYS 22 OK 100 100 - 100 - 1.8=100 Peak 1418 from cnoeabs.peaks (1.71, 2.06, 30.62 ppm; 3.75 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 22 + HB2 LYS 22 OK 100 100 - 100 - 2.9=100 Peak 1419 from cnoeabs.peaks (1.68, 2.06, 30.62 ppm; 3.72 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 22 + HB2 LYS 22 OK 100 100 - 100 - 2.9=100 Peak 1420 from cnoeabs.peaks (1.82, 2.06, 30.62 ppm; 4.37 A): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 22 + HB2 LYS 22 OK 100 100 - 100 - 3.5=100 Peak 1421 from cnoeabs.peaks (1.96, 2.06, 30.62 ppm; 3.69 A): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 22 + HB2 LYS 22 OK 100 100 - 100 - 3.5=100 Peak 1423 from cnoeabs.peaks (2.95, 2.06, 30.62 ppm; 4.99 A): 1 out of 1 assignment used, quality = 1.00: * HE3 LYS 22 + HB2 LYS 22 OK 100 100 - 100 - 4.7=100 Peak 1424 from cnoeabs.peaks (8.03, 2.38, 30.62 ppm; 4.05 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 22 + HB3 LYS 22 OK 100 100 - 100 - 4.0=100 Peak 1425 from cnoeabs.peaks (4.35, 2.38, 30.62 ppm; 4.26 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 22 + HB3 LYS 22 OK 100 100 - 100 - 3.0=100 Peak 1426 from cnoeabs.peaks (2.06, 2.38, 30.62 ppm; 3.24 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 22 + HB3 LYS 22 OK 100 100 - 100 - 1.8=100 Peak 1427 from cnoeabs.peaks (2.38, 2.38, 30.62 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 22 + HB3 LYS 22 OK 100 100 - 100 Peak 1428 from cnoeabs.peaks (1.71, 2.38, 30.62 ppm; 3.88 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 22 + HB3 LYS 22 OK 100 100 - 100 - 2.9=100 Peak 1429 from cnoeabs.peaks (1.68, 2.38, 30.62 ppm; 3.89 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 22 + HB3 LYS 22 OK 100 100 - 100 - 2.9=100 Peak 1430 from cnoeabs.peaks (1.82, 2.38, 30.62 ppm; 4.72 A): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 22 + HB3 LYS 22 OK 100 100 - 100 - 3.5=100 Peak 1431 from cnoeabs.peaks (1.96, 2.38, 30.62 ppm; 4.63 A): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 22 + HB3 LYS 22 OK 100 100 - 100 - 3.5=100 Peak 1434 from cnoeabs.peaks (8.03, 1.71, 24.77 ppm; 5.02 A): 2 out of 6 assignments used, quality = 1.00: * H LYS 22 + HG2 LYS 22 OK 99 100 - 99 - 5.1=94, 556/2.9=30...(15) H GLN 53 + HG2 LYS 22 OK 48 100 - 48 - 753/2.9=10, 1444/1.8=8...(11) H ASN 40 - HG2 LYS 22 OK 25 96 - 26 - 1444/1.8=5, 1464/3.0=4...(10) H GLN 47 - HG2 LYS 22 OK 20 78 - 25 - 1444/1.8=4, 705/3.0=4...(9) H ILE 17 - HG2 LYS 22 OK 19 83 - 22 - 1414/2.9=3, 1464/3.0=3...(11) H LEU 41 - HG2 LYS 22 OK 12 65 - 18 - 1464/3.0=2, 1444/1.8=2...(8) Peak 1435 from cnoeabs.peaks (4.35, 1.71, 24.77 ppm; 4.57 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 22 + HG2 LYS 22 OK 100 100 - 100 - 3.7=100 Peak 1436 from cnoeabs.peaks (2.06, 1.71, 24.77 ppm; 3.98 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 22 + HG2 LYS 22 OK 100 100 - 100 - 2.9=100 Peak 1437 from cnoeabs.peaks (2.38, 1.71, 24.77 ppm; 4.01 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 22 + HG2 LYS 22 OK 100 100 - 100 - 2.9=100 Peak 1438 from cnoeabs.peaks (1.71, 1.71, 24.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 22 + HG2 LYS 22 OK 100 100 - 100 Peak 1439 from cnoeabs.peaks (1.68, 1.71, 24.77 ppm; 2.77 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 22 + HG2 LYS 22 OK 100 100 - 100 - 1.8=100 Peak 1440 from cnoeabs.peaks (1.82, 1.71, 24.77 ppm; 3.54 A): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 22 + HG2 LYS 22 OK 100 100 - 100 - 3.0=100 Peak 1441 from cnoeabs.peaks (1.96, 1.71, 24.77 ppm; 4.01 A): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 22 + HG2 LYS 22 OK 100 100 - 100 - 3.0=100 Peak 1442 from cnoeabs.peaks (2.80, 1.71, 24.77 ppm; 4.54 A): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 22 + HG2 LYS 22 OK 100 100 - 100 - 3.7=100 Peak 1443 from cnoeabs.peaks (2.95, 1.71, 24.77 ppm; 4.52 A): 1 out of 1 assignment used, quality = 1.00: * HE3 LYS 22 + HG2 LYS 22 OK 100 100 - 100 - 3.7=100 Peak 1444 from cnoeabs.peaks (8.03, 1.68, 24.77 ppm; 4.94 A): 1 out of 6 assignments used, quality = 0.99: * H LYS 22 + HG3 LYS 22 OK 99 100 - 99 - 5.1=90, 556/2.9=29...(14) H GLN 53 - HG3 LYS 22 OK 44 100 - 45 - 753/2.9=10, 1434/1.8=8...(9) H ASN 40 - HG3 LYS 22 OK 25 96 - 26 - 1434/1.8=4, 1464/3.0=4...(10) H GLN 47 - HG3 LYS 22 OK 20 78 - 26 - 1434/1.8=4, 705/3.0=3...(10) H ILE 17 - HG3 LYS 22 OK 16 83 - 19 - 1414/2.9=3, 1434/1.8=3...(8) H LEU 41 - HG3 LYS 22 OK 11 65 - 17 - 1464/3.0=2, 1434/1.8=2...(7) Peak 1445 from cnoeabs.peaks (4.35, 1.68, 24.77 ppm; 4.59 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 22 + HG3 LYS 22 OK 100 100 - 100 - 3.7=100 Peak 1446 from cnoeabs.peaks (2.06, 1.68, 24.77 ppm; 3.95 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 22 + HG3 LYS 22 OK 100 100 - 100 - 2.9=100 Peak 1447 from cnoeabs.peaks (2.38, 1.68, 24.77 ppm; 4.01 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 22 + HG3 LYS 22 OK 100 100 - 100 - 2.9=100 Peak 1448 from cnoeabs.peaks (1.71, 1.68, 24.77 ppm; 2.68 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 22 + HG3 LYS 22 OK 100 100 - 100 - 1.8=100 Peak 1449 from cnoeabs.peaks (1.68, 1.68, 24.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 22 + HG3 LYS 22 OK 100 100 - 100 Peak 1450 from cnoeabs.peaks (1.82, 1.68, 24.77 ppm; 3.45 A): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 22 + HG3 LYS 22 OK 100 100 - 100 - 3.0=100 Peak 1451 from cnoeabs.peaks (1.96, 1.68, 24.77 ppm; 3.94 A): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 22 + HG3 LYS 22 OK 100 100 - 100 - 3.0=100 Peak 1452 from cnoeabs.peaks (2.80, 1.68, 24.77 ppm; 4.49 A): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 22 + HG3 LYS 22 OK 100 100 - 100 - 3.7=100 Peak 1453 from cnoeabs.peaks (2.95, 1.68, 24.77 ppm; 4.52 A): 1 out of 1 assignment used, quality = 1.00: * HE3 LYS 22 + HG3 LYS 22 OK 100 100 - 100 - 3.7=100 Peak 1455 from cnoeabs.peaks (4.35, 1.82, 27.95 ppm; 3.65 A): 1 out of 9 assignments used, quality = 0.86: * HA LYS 22 + HD2 LYS 22 OK 86 100 - 86 - 4.9=41, 1465/1.8=24...(18) HA ASN 40 - HD2 LYS 22 poor 9 81 - 11 - 1465/1.8=3, 1485/3.0=1...(6) HA LEU 41 - HD2 LYS 22 lone 8 97 - 8 - 1465/1.8=3, 1485/3.0=1 HA LYS 49 - HD2 LYS 22 lone 7 76 - 9 - 1465/1.8=2, 1485/3.0=1 HA ASN 54 - HD2 LYS 22 lone 6 100 - 6 - 1465/1.8=2, ~270=1, 1485/3.0=1 HA LEU 68 - HD2 LYS 22 lone 4 96 - 4 - 1465/1.8=1 HA HIS 13 - HD2 LYS 22 lone 4 73 - 5 - 1465/1.8=1 HA LEU 64 - HD2 LYS 22 lone 3 76 - 4 - HB2 SER 12 - HD2 LYS 22 lone 2 76 - 2 - Peak 1456 from cnoeabs.peaks (2.06, 1.82, 27.95 ppm; 3.84 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 22 + HD2 LYS 22 OK 100 100 - 100 - 3.5=100 Peak 1457 from cnoeabs.peaks (2.38, 1.82, 27.95 ppm; 4.59 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 22 + HD2 LYS 22 OK 100 100 - 100 - 3.5=100 Peak 1458 from cnoeabs.peaks (1.71, 1.82, 27.95 ppm; 3.29 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 22 + HD2 LYS 22 OK 100 100 - 100 - 3.0=100 Peak 1459 from cnoeabs.peaks (1.68, 1.82, 27.95 ppm; 3.28 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 22 + HD2 LYS 22 OK 100 100 - 100 - 3.0=100 Peak 1460 from cnoeabs.peaks (1.82, 1.82, 27.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 22 + HD2 LYS 22 OK 100 100 - 100 Peak 1461 from cnoeabs.peaks (1.96, 1.82, 27.95 ppm; 2.70 A): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 22 + HD2 LYS 22 OK 100 100 - 100 - 1.8=100 Peak 1462 from cnoeabs.peaks (2.80, 1.82, 27.95 ppm; 4.24 A): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 22 + HD2 LYS 22 OK 100 100 - 100 - 3.0=100 Peak 1463 from cnoeabs.peaks (2.95, 1.82, 27.95 ppm; 4.10 A): 1 out of 1 assignment used, quality = 1.00: * HE3 LYS 22 + HD2 LYS 22 OK 100 100 - 100 - 3.0=100 Peak 1464 from cnoeabs.peaks (8.03, 1.96, 27.95 ppm; 5.26 A): 1 out of 6 assignments used, quality = 0.99: * H LYS 22 + HD3 LYS 22 OK 99 100 - 99 - 6.1=63, 2.9/1465=30...(18) H GLN 53 - HD3 LYS 22 OK 42 100 - 43 - 753/3.5=10, 1434/3.0=8...(8) H ASN 40 - HD3 LYS 22 OK 26 96 - 26 - 1444/3.0=4, 1434/3.0=4...(10) H GLN 47 - HD3 LYS 22 OK 22 78 - 29 - 705/1.8=4, 1444/3.0=4...(12) H ILE 17 - HD3 LYS 22 OK 21 83 - 26 - 4.3/4060=5, 4.3/4064=4...(9) H LEU 41 - HD3 LYS 22 OK 16 65 - 24 - 3.0/1465=3, 3.6/1465=3...(11) Peak 1465 from cnoeabs.peaks (4.35, 1.96, 27.95 ppm; 3.61 A): 1 out of 9 assignments used, quality = 0.84: * HA LYS 22 + HD3 LYS 22 OK 84 100 - 84 - 4.9=39, 1410/1.8=28...(14) HA ASN 40 - HD3 LYS 22 poor 10 81 - 12 - 1455/1.8=3, 3.0/1464=2...(6) HA LEU 41 - HD3 LYS 22 lone 9 97 - 9 - 1455/1.8=2, 1485/3.0=1...(4) HA LYS 49 - HD3 LYS 22 poor 9 76 - 11 - 1455/1.8=2, 3.9/4160=1...(4) HA ASN 54 - HD3 LYS 22 lone 6 100 - 6 - 1455/1.8=2 HA LEU 68 - HD3 LYS 22 lone 4 96 - 4 - 1455/1.8=1 HA HIS 13 - HD3 LYS 22 lone 4 73 - 5 - 1455/1.8=1 HA LEU 64 - HD3 LYS 22 lone 2 76 - 3 - HB2 SER 12 - HD3 LYS 22 lone 2 76 - 2 - Peak 1466 from cnoeabs.peaks (2.06, 1.96, 27.95 ppm; 3.48 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 22 + HD3 LYS 22 OK 100 100 - 100 - 3.5=100 Peak 1467 from cnoeabs.peaks (2.38, 1.96, 27.95 ppm; 4.45 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 22 + HD3 LYS 22 OK 100 100 - 100 - 3.5=100 Peak 1468 from cnoeabs.peaks (1.71, 1.96, 27.95 ppm; 3.51 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 22 + HD3 LYS 22 OK 100 100 - 100 - 3.0=100 Peak 1469 from cnoeabs.peaks (1.68, 1.96, 27.95 ppm; 3.57 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 22 + HD3 LYS 22 OK 100 100 - 100 - 3.0=100 Peak 1470 from cnoeabs.peaks (1.82, 1.96, 27.95 ppm; 2.69 A): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 22 + HD3 LYS 22 OK 100 100 - 100 - 1.8=100 Peak 1471 from cnoeabs.peaks (1.96, 1.96, 27.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 22 + HD3 LYS 22 OK 100 100 - 100 Peak 1472 from cnoeabs.peaks (2.80, 1.96, 27.95 ppm; 4.11 A): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 22 + HD3 LYS 22 OK 100 100 - 100 - 3.0=100 Peak 1473 from cnoeabs.peaks (2.95, 1.96, 27.95 ppm; 4.38 A): 1 out of 1 assignment used, quality = 1.00: * HE3 LYS 22 + HD3 LYS 22 OK 100 100 - 100 - 3.0=100 Peak 1475 from cnoeabs.peaks (4.35, 2.80, 42.08 ppm; 4.79 A): 2 out of 9 assignments used, quality = 0.93: * HA LYS 22 + HE2 LYS 22 OK 92 100 - 92 - 6.4=42, 1413/1.8=37...(11) HA LEU 41 + HE2 LYS 22 OK 11 97 - 11 - 1485/1.8=3, 1465/3.0=3...(4) HA ASN 40 - HE2 LYS 22 poor 10 81 - 12 - 1465/3.0=3, 1455/3.0=3...(4) HA LYS 49 - HE2 LYS 22 poor 8 76 - 10 - 1465/3.0=3, 1455/3.0=2 HA ASN 54 - HE2 LYS 22 lone 7 100 - 7 - 1485/1.8=2, 1455/3.0=2 HA LEU 68 - HE2 LYS 22 lone 6 96 - 6 - 1485/1.8=2, 1455/3.0=1 HA HIS 13 - HE2 LYS 22 lone 5 73 - 7 - 1485/1.8=1, 1465/3.0=1 HA LEU 64 - HE2 LYS 22 lone 4 76 - 5 - 1485/1.8=1 HB2 SER 12 - HE2 LYS 22 lone 3 76 - 3 - Peak 1476 from cnoeabs.peaks (2.06, 2.80, 42.08 ppm; 4.31 A): 1 out of 9 assignments used, quality = 0.92: * HB2 LYS 22 + HE2 LYS 22 OK 92 100 - 92 - 4.7=75, 3.0/1412=23...(10) HB VAL 16 - HE2 LYS 22 poor 9 87 - 11 - ~4060=3, ~4064=2...(4) HB3 GLU 20 - HE2 LYS 22 lone 3 90 - 3 - 555/7.3=2 HB3 GLU 45 - HE2 LYS 22 lone 2 97 - 3 - HB2 GLU 45 - HE2 LYS 22 lone 2 96 - 3 - HB2 GLN 63 - HE2 LYS 22 lone 2 81 - 2 - HB2 GLU 67 - HE2 LYS 22 lone 2 57 - 3 - 2.8/4855=2 HG3 GLU 45 - HE2 LYS 22 lone 2 92 - 2 - HB3 ARG 56 - HE2 LYS 22 lone 1 83 - 2 - Peak 1478 from cnoeabs.peaks (1.71, 2.80, 42.08 ppm; 3.75 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 22 + HE2 LYS 22 OK 100 100 - 100 - 3.7=100 Peak 1479 from cnoeabs.peaks (1.68, 2.80, 42.08 ppm; 3.81 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 22 + HE2 LYS 22 OK 100 100 - 100 - 3.7=100 Peak 1480 from cnoeabs.peaks (1.82, 2.80, 42.08 ppm; 3.99 A): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 22 + HE2 LYS 22 OK 100 100 - 100 - 3.0=100 Peak 1481 from cnoeabs.peaks (1.96, 2.80, 42.08 ppm; 3.88 A): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 22 + HE2 LYS 22 OK 100 100 - 100 - 3.0=100 Peak 1482 from cnoeabs.peaks (2.80, 2.80, 42.08 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 22 + HE2 LYS 22 OK 100 100 - 100 Peak 1483 from cnoeabs.peaks (2.95, 2.80, 42.08 ppm; 2.54 A): 1 out of 1 assignment used, quality = 1.00: * HE3 LYS 22 + HE2 LYS 22 OK 100 100 - 100 - 1.8=100 Peak 1485 from cnoeabs.peaks (4.35, 2.95, 42.08 ppm; 4.55 A): 1 out of 9 assignments used, quality = 0.88: * HA LYS 22 + HE3 LYS 22 OK 88 100 - 88 - 1413=40, 1412/1.8=31...(11) HA LEU 41 - HE3 LYS 22 poor 10 97 - 10 - 1465/3.0=3, 1475/1.8=3...(4) HA ASN 40 - HE3 LYS 22 poor 9 81 - 11 - 1465/3.0=3, 1455/3.0=3...(4) HA LYS 49 - HE3 LYS 22 lone 7 76 - 10 - 1465/3.0=3, 1455/3.0=2 HA ASN 54 - HE3 LYS 22 lone 7 100 - 7 - 1455/3.0=2, 1475/1.8=2 HA LEU 68 - HE3 LYS 22 lone 5 96 - 5 - 1475/1.8=1, 1455/3.0=1 HA HIS 13 - HE3 LYS 22 lone 5 73 - 6 - 1475/1.8=1, 1465/3.0=1 HA LEU 64 - HE3 LYS 22 lone 4 76 - 5 - 3.9/4779=1 HB2 SER 12 - HE3 LYS 22 lone 2 76 - 3 - Peak 1488 from cnoeabs.peaks (1.71, 2.95, 42.08 ppm; 3.83 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 22 + HE3 LYS 22 OK 100 100 - 100 - 3.7=100 Peak 1489 from cnoeabs.peaks (1.68, 2.95, 42.08 ppm; 3.96 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 22 + HE3 LYS 22 OK 100 100 - 100 - 3.7=100 Peak 1490 from cnoeabs.peaks (1.82, 2.95, 42.08 ppm; 3.82 A): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 22 + HE3 LYS 22 OK 100 100 - 100 - 3.0=100 Peak 1491 from cnoeabs.peaks (1.96, 2.95, 42.08 ppm; 4.82 A): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 22 + HE3 LYS 22 OK 100 100 - 100 - 3.0=100 Peak 1492 from cnoeabs.peaks (2.80, 2.95, 42.08 ppm; 2.58 A): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 22 + HE3 LYS 22 OK 100 100 - 100 - 1.8=100 Peak 1493 from cnoeabs.peaks (2.95, 2.95, 42.08 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE3 LYS 22 + HE3 LYS 22 OK 100 100 - 100 Peak 1494 from cnoeabs.peaks (8.99, 4.76, 60.13 ppm; 3.86 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 23 + HA PHE 23 OK 100 100 - 100 - 3.0=100 Peak 1495 from cnoeabs.peaks (4.76, 4.76, 60.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PHE 23 + HA PHE 23 OK 100 100 - 100 Peak 1496 from cnoeabs.peaks (3.15, 4.76, 60.13 ppm; 3.96 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 23 + HA PHE 23 OK 100 100 - 100 - 2.9=100 Peak 1497 from cnoeabs.peaks (3.08, 4.76, 60.13 ppm; 3.91 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 23 + HA PHE 23 OK 100 100 - 100 - 2.9=100 Peak 1500 from cnoeabs.peaks (8.99, 3.15, 39.32 ppm; 3.86 A): 1 out of 2 assignments used, quality = 0.97: * H PHE 23 + HB2 PHE 23 OK 97 100 - 97 - 4.0=89, 566/1.8=36...(7) H SER 30 - HB2 PHE 23 OK 16 90 - 17 - 1506/1.8=5, 4633/2.4=5...(5) Peak 1501 from cnoeabs.peaks (4.76, 3.15, 39.32 ppm; 4.03 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 23 + HB2 PHE 23 OK 100 100 - 100 - 2.9=100 Peak 1502 from cnoeabs.peaks (3.15, 3.15, 39.32 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 23 + HB2 PHE 23 OK 100 100 - 100 Peak 1503 from cnoeabs.peaks (3.08, 3.15, 39.32 ppm; 3.04 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 23 + HB2 PHE 23 OK 100 100 - 100 - 1.8=100 Peak 1504 from cnoeabs.peaks (7.18, 3.15, 39.32 ppm; 4.67 A): 1 out of 1 assignment used, quality = 1.00: * QE PHE 23 + HB2 PHE 23 OK 100 100 - 100 - 4.4=100 Peak 1505 from cnoeabs.peaks (7.06, 3.15, 39.32 ppm; 3.62 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 23 + HB2 PHE 23 OK 100 100 - 100 - 2.4=100 Peak 1506 from cnoeabs.peaks (8.99, 3.08, 39.32 ppm; 3.82 A): 1 out of 2 assignments used, quality = 0.95: * H PHE 23 + HB3 PHE 23 OK 95 100 - 96 - 4.0=86, 565/1.8=32...(7) H SER 30 - HB3 PHE 23 OK 15 90 - 16 - 1500/1.8=5, 4633/2.4=5...(5) Peak 1507 from cnoeabs.peaks (4.76, 3.08, 39.32 ppm; 4.02 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 23 + HB3 PHE 23 OK 100 100 - 100 - 2.9=100 Peak 1508 from cnoeabs.peaks (3.15, 3.08, 39.32 ppm; 3.06 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 23 + HB3 PHE 23 OK 100 100 - 100 - 1.8=100 Peak 1509 from cnoeabs.peaks (3.08, 3.08, 39.32 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 23 + HB3 PHE 23 OK 100 100 - 100 Peak 1510 from cnoeabs.peaks (7.18, 3.08, 39.32 ppm; 4.55 A): 1 out of 1 assignment used, quality = 1.00: * QE PHE 23 + HB3 PHE 23 OK 100 100 - 100 - 4.4=100 Peak 1511 from cnoeabs.peaks (7.06, 3.08, 39.32 ppm; 3.60 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 23 + HB3 PHE 23 OK 100 100 - 100 - 2.4=100 Peak 1516 from cnoeabs.peaks (7.18, 7.18, 130.60 ppm; diagonal): 1 out of 1 assignment used, quality = 0.92: * QE PHE 23 + QE PHE 23 OK 92 92 - 100 Peak 1517 from cnoeabs.peaks (7.06, 7.18, 130.60 ppm; 3.76 A): 1 out of 1 assignment used, quality = 0.94: * QD PHE 23 + QE PHE 23 OK 94 94 - 100 - 2.2=100 Peak 1519 from cnoeabs.peaks (4.76, 7.06, 132.51 ppm; 5.00 A): 1 out of 1 assignment used, quality = 0.97: * HA PHE 23 + QD PHE 23 OK 97 97 - 100 - 3.7=100 Peak 1520 from cnoeabs.peaks (3.15, 7.06, 132.51 ppm; 4.74 A): 1 out of 1 assignment used, quality = 0.97: * HB2 PHE 23 + QD PHE 23 OK 97 97 - 100 - 2.4=100 Peak 1521 from cnoeabs.peaks (3.08, 7.06, 132.51 ppm; 4.74 A): 1 out of 1 assignment used, quality = 0.97: * HB3 PHE 23 + QD PHE 23 OK 97 97 - 100 - 2.4=100 Peak 1522 from cnoeabs.peaks (7.18, 7.06, 132.51 ppm; 3.85 A): 1 out of 1 assignment used, quality = 0.96: * QE PHE 23 + QD PHE 23 OK 96 96 - 100 - 2.2=100 Peak 1523 from cnoeabs.peaks (7.06, 7.06, 132.51 ppm; diagonal): 1 out of 1 assignment used, quality = 0.97: * QD PHE 23 + QD PHE 23 OK 97 97 - 100 Peak 1524 from cnoeabs.peaks (8.13, 4.08, 61.10 ppm; 3.60 A): 1 out of 1 assignment used, quality = 1.00: * H SER 24 + HA SER 24 OK 100 100 - 100 - 3.0=100 Peak 1525 from cnoeabs.peaks (4.08, 4.08, 61.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 24 + HA SER 24 OK 100 100 - 100 Peak 1526 from cnoeabs.peaks (3.97, 4.08, 61.10 ppm; 2.86 A): 2 out of 7 assignments used, quality = 0.99: * HB2 SER 24 + HA SER 24 OK 91 100 - 91 - 3.0=84, 1.8/3717=14...(11) HB3 SER 24 + HA SER 24 OK 91 100 - 91 - 3.0=84, 1.8/3715=14...(11) HA LYS 42 - HA SER 24 lone 2 97 - 2 - HA ALA 35 - HA SER 24 lone 1 96 - 1 - HA GLN 47 - HA SER 24 lone 1 97 - 1 - HB3 SER 12 - HA SER 24 lone 1 81 - 1 - HB2 SER 66 - HA SER 24 lone 0 65 - 0 - Peak 1527 from cnoeabs.peaks (3.97, 4.08, 61.10 ppm; 2.86 A): 2 out of 7 assignments used, quality = 0.99: * HB3 SER 24 + HA SER 24 OK 91 100 - 91 - 3.0=84, 1.8/3715=14...(11) HB2 SER 24 + HA SER 24 OK 91 100 - 91 - 3.0=84, 1.8/3717=14...(11) HA LYS 42 - HA SER 24 lone 2 98 - 2 - HA ALA 35 - HA SER 24 lone 1 97 - 1 - HA GLN 47 - HA SER 24 lone 1 95 - 1 - HB3 SER 12 - HA SER 24 lone 1 76 - 1 - HB2 SER 66 - HA SER 24 lone 0 60 - 0 - Peak 1528 from cnoeabs.peaks (8.13, 3.97, 63.03 ppm; 3.26 A): 2 out of 10 assignments used, quality = 0.96: * H SER 24 + HB2 SER 24 OK 80 100 - 80 - 4.0=52, 572/1.8=17...(10) H SER 24 + HB3 SER 24 OK 80 100 - 80 - 4.0=52, 571/1.8=17...(10) H LYS 27 - HB2 SER 24 lone 4 99 - 4 - 82/4.4=3 H LYS 27 - HB3 SER 24 lone 4 99 - 4 - 82/4.4=3 H THR 46 - HB3 SER 24 lone 3 91 - 3 - H THR 46 - HB2 SER 24 lone 3 92 - 3 - H ALA 35 - HB3 SER 24 lone 1 73 - 2 - H ALA 35 - HB2 SER 24 lone 1 73 - 2 - H LEU 68 - HB2 SER 24 lone 1 92 - 1 - H LEU 68 - HB3 SER 24 lone 1 91 - 1 - Peak 1529 from cnoeabs.peaks (4.08, 3.97, 63.03 ppm; 2.88 A): 2 out of 16 assignments used, quality = 0.99: * HA SER 24 + HB2 SER 24 OK 92 100 - 92 - 3.0=86, 1527/1.8=16...(9) HA SER 24 + HB3 SER 24 OK 92 100 - 92 - 3.0=86, 1526/1.8=16...(9) HA ARG 21 - HB2 SER 24 lone 7 99 - 7 - 3714=2, 3713/4.0=2, 3716/1.8=2 HA ARG 21 - HB3 SER 24 lone 7 99 - 7 - 3714=2, 3713/4.0=2, 3714/1.8=2 HA ARG 56 - HB3 SER 24 lone 7 100 - 7 - 3716=2, 3714/1.8=2, 3713/4.0=1 HA ARG 56 - HB2 SER 24 lone 7 100 - 7 - 3714=2, 3716/1.8=2, 3713/4.0=1 HA LYS 39 - HB3 SER 24 lone 2 100 - 2 - HA LYS 39 - HB2 SER 24 lone 2 100 - 2 - HA LEU 37 - HB3 SER 24 lone 1 86 - 2 - HA LEU 37 - HB2 SER 24 lone 1 87 - 2 - HB THR 46 - HB2 SER 24 lone 1 87 - 1 - HB THR 46 - HB3 SER 24 lone 1 86 - 1 - HA GLU 33 - HB3 SER 24 lone 1 99 - 1 - HA GLU 33 - HB2 SER 24 lone 1 99 - 1 - HA LYS 58 - HB2 SER 24 lone 0 57 - 0 - HA LYS 58 - HB3 SER 24 lone 0 57 - 0 - Peak 1530 from cnoeabs.peaks (3.97, 3.97, 63.03 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 SER 24 + HB2 SER 24 OK 100 100 - 100 HB3 SER 24 + HB3 SER 24 OK 100 100 - 100 Peak 1531 from cnoeabs.peaks (3.97, 3.97, 63.03 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB2 SER 24 + HB2 SER 24 OK 100 100 - 100 HB3 SER 24 + HB3 SER 24 OK 100 100 - 100 Reference assignment not found: HB3 SER 24 - HB2 SER 24 Peak 1532 from cnoeabs.peaks (8.13, 3.97, 63.03 ppm; 3.26 A): 2 out of 10 assignments used, quality = 0.96: * H SER 24 + HB3 SER 24 OK 80 100 - 80 - 4.0=52, 571/1.8=17...(10) H SER 24 + HB2 SER 24 OK 80 100 - 80 - 4.0=52, 572/1.8=17...(10) H LYS 27 - HB3 SER 24 lone 4 99 - 4 - 82/4.4=3 H LYS 27 - HB2 SER 24 lone 4 99 - 4 - 82/4.4=3 H THR 46 - HB3 SER 24 lone 3 92 - 3 - H THR 46 - HB2 SER 24 lone 3 91 - 3 - H ALA 35 - HB3 SER 24 lone 1 73 - 2 - H ALA 35 - HB2 SER 24 lone 1 73 - 2 - H LEU 68 - HB3 SER 24 lone 1 92 - 1 - H LEU 68 - HB2 SER 24 lone 1 91 - 1 - Peak 1533 from cnoeabs.peaks (4.08, 3.97, 63.03 ppm; 2.88 A): 2 out of 16 assignments used, quality = 0.99: * HA SER 24 + HB3 SER 24 OK 92 100 - 92 - 3.0=86, 1526/1.8=16...(9) HA SER 24 + HB2 SER 24 OK 92 100 - 92 - 3.0=86, 1527/1.8=16...(9) HA ARG 21 - HB3 SER 24 lone 7 99 - 7 - 3716=2, 3713/4.0=2, 3714/1.8=2 HA ARG 21 - HB2 SER 24 lone 7 99 - 7 - 3714=2, 3713/4.0=2, 3716/1.8=2 HA ARG 56 - HB3 SER 24 lone 7 100 - 7 - 3716=2, 3714/1.8=2, 3713/4.0=1 HA ARG 56 - HB2 SER 24 lone 7 100 - 7 - 3716=2, 3716/1.8=2, 3713/4.0=1 HA LYS 39 - HB3 SER 24 lone 2 100 - 2 - HA LYS 39 - HB2 SER 24 lone 2 100 - 2 - HA LEU 37 - HB3 SER 24 lone 2 87 - 2 - HA LEU 37 - HB2 SER 24 lone 1 86 - 2 - HB THR 46 - HB3 SER 24 lone 1 87 - 1 - HB THR 46 - HB2 SER 24 lone 1 86 - 1 - HA GLU 33 - HB3 SER 24 lone 1 99 - 1 - HA GLU 33 - HB2 SER 24 lone 1 99 - 1 - HA LYS 58 - HB3 SER 24 lone 0 57 - 0 - HA LYS 58 - HB2 SER 24 lone 0 57 - 0 - Peak 1534 from cnoeabs.peaks (3.97, 3.97, 63.03 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 SER 24 + HB3 SER 24 OK 100 100 - 100 HB2 SER 24 + HB2 SER 24 OK 100 100 - 100 Reference assignment not found: HB2 SER 24 - HB3 SER 24 Peak 1535 from cnoeabs.peaks (3.97, 3.97, 63.03 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 SER 24 + HB3 SER 24 OK 100 100 - 100 HB2 SER 24 + HB2 SER 24 OK 100 100 - 100 Peak 1536 from cnoeabs.peaks (7.63, 4.70, 56.95 ppm; 3.77 A): 1 out of 1 assignment used, quality = 1.00: * H HIS 25 + HA HIS 25 OK 100 100 - 100 - 2.9=100 Peak 1537 from cnoeabs.peaks (4.70, 4.70, 56.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA HIS 25 + HA HIS 25 OK 100 100 - 100 Peak 1538 from cnoeabs.peaks (3.37, 4.70, 56.95 ppm; 4.08 A): 1 out of 1 assignment used, quality = 1.00: * HB2 HIS 25 + HA HIS 25 OK 100 100 - 100 - 3.0=100 Peak 1539 from cnoeabs.peaks (3.31, 4.70, 56.95 ppm; 3.49 A): 1 out of 1 assignment used, quality = 1.00: * HB3 HIS 25 + HA HIS 25 OK 100 100 - 100 - 3.0=100 Peak 1541 from cnoeabs.peaks (7.63, 3.37, 31.20 ppm; 3.99 A): 1 out of 1 assignment used, quality = 1.00: * H HIS 25 + HB2 HIS 25 OK 100 100 - 100 - 3.9=100 Peak 1542 from cnoeabs.peaks (4.70, 3.37, 31.20 ppm; 3.73 A): 1 out of 1 assignment used, quality = 1.00: * HA HIS 25 + HB2 HIS 25 OK 100 100 - 100 - 3.0=100 Peak 1543 from cnoeabs.peaks (3.37, 3.37, 31.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 HIS 25 + HB2 HIS 25 OK 100 100 - 100 Peak 1544 from cnoeabs.peaks (3.31, 3.37, 31.20 ppm; 2.45 A): 1 out of 1 assignment used, quality = 1.00: * HB3 HIS 25 + HB2 HIS 25 OK 100 100 - 100 - 1.8=100 Peak 1545 from cnoeabs.peaks (7.30, 3.37, 31.20 ppm; 4.54 A): 1 out of 1 assignment used, quality = 1.00: * HD2 HIS 25 + HB2 HIS 25 OK 100 100 - 100 - 3.9=100 Peak 1546 from cnoeabs.peaks (7.63, 3.31, 31.20 ppm; 4.04 A): 1 out of 1 assignment used, quality = 1.00: * H HIS 25 + HB3 HIS 25 OK 100 100 - 100 - 3.9=100 Peak 1547 from cnoeabs.peaks (4.70, 3.31, 31.20 ppm; 3.86 A): 1 out of 1 assignment used, quality = 1.00: * HA HIS 25 + HB3 HIS 25 OK 100 100 - 100 - 3.0=100 Peak 1548 from cnoeabs.peaks (3.37, 3.31, 31.20 ppm; 2.48 A): 1 out of 1 assignment used, quality = 1.00: * HB2 HIS 25 + HB3 HIS 25 OK 100 100 - 100 - 1.8=100 Peak 1549 from cnoeabs.peaks (3.31, 3.31, 31.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 HIS 25 + HB3 HIS 25 OK 100 100 - 100 Peak 1550 from cnoeabs.peaks (7.30, 3.31, 31.20 ppm; 4.76 A): 1 out of 1 assignment used, quality = 1.00: * HD2 HIS 25 + HB3 HIS 25 OK 100 100 - 100 - 3.9=100 Peak 1555 from cnoeabs.peaks (7.30, 7.30, 120.87 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 HIS 25 + HD2 HIS 25 OK 100 100 - 100 Peak 1556 from cnoeabs.peaks (8.51, 4.49, 55.44 ppm; 4.22 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 26 + HA GLN 26 OK 100 100 - 100 - 2.9=100 Peak 1557 from cnoeabs.peaks (4.49, 4.49, 55.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLN 26 + HA GLN 26 OK 100 100 - 100 Peak 1558 from cnoeabs.peaks (2.02, 4.49, 55.44 ppm; 3.54 A): 2 out of 2 assignments used, quality = 1.00: HB3 GLN 26 + HA GLN 26 OK 100 100 - 100 - 3.0=100 * HB2 GLN 26 + HA GLN 26 OK 100 100 - 100 - 3.0=100 Peak 1559 from cnoeabs.peaks (2.02, 4.49, 55.44 ppm; 3.54 A): 2 out of 2 assignments used, quality = 1.00: * HB3 GLN 26 + HA GLN 26 OK 100 100 - 100 - 3.0=100 HB2 GLN 26 + HA GLN 26 OK 100 100 - 100 - 3.0=100 Peak 1560 from cnoeabs.peaks (2.29, 4.49, 55.44 ppm; 3.98 A): 2 out of 2 assignments used, quality = 1.00: * HG2 GLN 26 + HA GLN 26 OK 100 100 - 100 - 3.9=100 HG3 GLN 26 + HA GLN 26 OK 100 100 - 100 - 3.9=100 Peak 1561 from cnoeabs.peaks (2.29, 4.49, 55.44 ppm; 3.98 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLN 26 + HA GLN 26 OK 100 100 - 100 - 3.9=100 HG2 GLN 26 + HA GLN 26 OK 100 100 - 100 - 3.9=100 Peak 1564 from cnoeabs.peaks (8.51, 2.02, 31.80 ppm; 4.07 A): 2 out of 2 assignments used, quality = 1.00: H GLN 26 + HB3 GLN 26 OK 100 100 - 100 - 3.9=100 * H GLN 26 + HB2 GLN 26 OK 100 100 - 100 - 3.9=100 Peak 1565 from cnoeabs.peaks (4.49, 2.02, 31.80 ppm; 3.38 A): 2 out of 2 assignments used, quality = 1.00: HA GLN 26 + HB3 GLN 26 OK 100 100 - 100 - 3.0=100 * HA GLN 26 + HB2 GLN 26 OK 100 100 - 100 - 3.0=100 Peak 1566 from cnoeabs.peaks (2.02, 2.02, 31.80 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB3 GLN 26 + HB3 GLN 26 OK 100 100 - 100 * HB2 GLN 26 + HB2 GLN 26 OK 100 100 - 100 HB3 ARG 56 + HB3 ARG 56 OK 62 62 - 100 Peak 1567 from cnoeabs.peaks (2.02, 2.02, 31.80 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB3 GLN 26 + HB3 GLN 26 OK 100 100 - 100 HB2 GLN 26 + HB2 GLN 26 OK 100 100 - 100 HB3 ARG 56 + HB3 ARG 56 OK 62 62 - 100 Reference assignment not found: HB3 GLN 26 - HB2 GLN 26 Peak 1568 from cnoeabs.peaks (2.29, 2.02, 31.80 ppm; 3.23 A): 4 out of 4 assignments used, quality = 1.00: HG2 GLN 26 + HB3 GLN 26 OK 100 100 - 100 - 3.0=100 * HG2 GLN 26 + HB2 GLN 26 OK 100 100 - 100 - 3.0=100 HG3 GLN 26 + HB3 GLN 26 OK 100 100 - 100 - 3.0=100 HG3 GLN 26 + HB2 GLN 26 OK 100 100 - 100 - 3.0=100 Peak 1569 from cnoeabs.peaks (2.29, 2.02, 31.80 ppm; 3.23 A): 4 out of 4 assignments used, quality = 1.00: * HG3 GLN 26 + HB2 GLN 26 OK 100 100 - 100 - 3.0=100 HG3 GLN 26 + HB3 GLN 26 OK 100 100 - 100 - 3.0=100 HG2 GLN 26 + HB2 GLN 26 OK 100 100 - 100 - 3.0=100 HG2 GLN 26 + HB3 GLN 26 OK 100 100 - 100 - 3.0=100 Peak 1570 from cnoeabs.peaks (7.40, 2.02, 31.80 ppm; 5.24 A): 2 out of 2 assignments used, quality = 1.00: HE21 GLN 26 + HB3 GLN 26 OK 100 100 - 100 - 4.6=100 * HE21 GLN 26 + HB2 GLN 26 OK 100 100 - 100 - 4.6=100 Peak 1571 from cnoeabs.peaks (7.64, 2.02, 31.80 ppm; 4.26 A): 4 out of 12 assignments used, quality = 1.00: HE22 GLN 26 + HB3 GLN 26 OK 95 100 - 95 - 4.6=78, 429/1.8=19...(12) * HE22 GLN 26 + HB2 GLN 26 OK 95 100 - 95 - 4.6=78, 429/1.8=19...(12) H HIS 25 + HB2 GLN 26 OK 60 97 - 62 - 877/3.9=27, 2.9/4187=14...(10) H HIS 25 + HB3 GLN 26 OK 60 97 - 62 - 877/3.9=27, 2.9/4187=14...(10) HE22 GLN 26 - HB3 ARG 56 lone 2 72 - 3 - H LYS 39 - HB3 ARG 56 lone 2 36 - 6 - 1059/3.9=1 HE22 GLN 47 - HB3 ARG 56 lone 2 49 - 3 - H HIS 25 - HB3 ARG 56 lone 2 67 - 2 - HE22 GLN 47 - HB3 GLN 26 lone 1 78 - 2 - HE22 GLN 47 - HB2 GLN 26 lone 1 78 - 2 - H LYS 39 - HB2 GLN 26 lone 1 60 - 1 - H LYS 39 - HB3 GLN 26 lone 1 60 - 1 - Peak 1572 from cnoeabs.peaks (8.51, 2.02, 31.80 ppm; 4.07 A): 2 out of 2 assignments used, quality = 1.00: * H GLN 26 + HB3 GLN 26 OK 100 100 - 100 - 3.9=100 H GLN 26 + HB2 GLN 26 OK 100 100 - 100 - 3.9=100 Peak 1573 from cnoeabs.peaks (4.49, 2.02, 31.80 ppm; 3.38 A): 2 out of 2 assignments used, quality = 1.00: * HA GLN 26 + HB3 GLN 26 OK 100 100 - 100 - 3.0=100 HA GLN 26 + HB2 GLN 26 OK 100 100 - 100 - 3.0=100 Peak 1574 from cnoeabs.peaks (2.02, 2.02, 31.80 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB3 GLN 26 + HB3 GLN 26 OK 100 100 - 100 HB2 GLN 26 + HB2 GLN 26 OK 100 100 - 100 HB3 ARG 56 + HB3 ARG 56 OK 62 62 - 100 Reference assignment not found: HB2 GLN 26 - HB3 GLN 26 Peak 1575 from cnoeabs.peaks (2.02, 2.02, 31.80 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 GLN 26 + HB3 GLN 26 OK 100 100 - 100 HB2 GLN 26 + HB2 GLN 26 OK 100 100 - 100 HB3 ARG 56 + HB3 ARG 56 OK 62 62 - 100 Peak 1576 from cnoeabs.peaks (2.29, 2.02, 31.80 ppm; 3.23 A): 4 out of 4 assignments used, quality = 1.00: * HG2 GLN 26 + HB3 GLN 26 OK 100 100 - 100 - 3.0=100 HG2 GLN 26 + HB2 GLN 26 OK 100 100 - 100 - 3.0=100 HG3 GLN 26 + HB3 GLN 26 OK 100 100 - 100 - 3.0=100 HG3 GLN 26 + HB2 GLN 26 OK 100 100 - 100 - 3.0=100 Peak 1577 from cnoeabs.peaks (2.29, 2.02, 31.80 ppm; 3.23 A): 4 out of 4 assignments used, quality = 1.00: HG3 GLN 26 + HB2 GLN 26 OK 100 100 - 100 - 3.0=100 * HG3 GLN 26 + HB3 GLN 26 OK 100 100 - 100 - 3.0=100 HG2 GLN 26 + HB2 GLN 26 OK 100 100 - 100 - 3.0=100 HG2 GLN 26 + HB3 GLN 26 OK 100 100 - 100 - 3.0=100 Peak 1578 from cnoeabs.peaks (7.40, 2.02, 31.80 ppm; 5.24 A): 2 out of 2 assignments used, quality = 1.00: * HE21 GLN 26 + HB3 GLN 26 OK 100 100 - 100 - 4.6=100 HE21 GLN 26 + HB2 GLN 26 OK 100 100 - 100 - 4.6=100 Peak 1579 from cnoeabs.peaks (7.64, 2.02, 31.80 ppm; 4.26 A): 4 out of 12 assignments used, quality = 1.00: * HE22 GLN 26 + HB3 GLN 26 OK 95 100 - 95 - 4.6=78, 429/1.8=19...(12) HE22 GLN 26 + HB2 GLN 26 OK 95 100 - 95 - 4.6=78, 429/1.8=19...(12) H HIS 25 + HB2 GLN 26 OK 60 97 - 62 - 877/3.9=27, 2.9/4187=14...(10) H HIS 25 + HB3 GLN 26 OK 60 97 - 62 - 877/3.9=27, 2.9/4187=14...(10) HE22 GLN 26 - HB3 ARG 56 lone 2 72 - 3 - H LYS 39 - HB3 ARG 56 lone 2 36 - 6 - 1059/3.9=1 HE22 GLN 47 - HB3 ARG 56 lone 2 49 - 3 - H HIS 25 - HB3 ARG 56 lone 2 67 - 2 - HE22 GLN 47 - HB3 GLN 26 lone 1 78 - 2 - HE22 GLN 47 - HB2 GLN 26 lone 1 78 - 2 - H LYS 39 - HB2 GLN 26 lone 1 60 - 1 - H LYS 39 - HB3 GLN 26 lone 1 60 - 1 - Peak 1580 from cnoeabs.peaks (8.51, 2.29, 34.10 ppm; 4.13 A): 4 out of 4 assignments used, quality = 1.00: * H GLN 26 + HG2 GLN 26 OK 91 100 - 92 - 4.9=59, 582/1.8=20...(14) H GLN 26 + HG3 GLN 26 OK 91 100 - 91 - 4.9=59, 582/1.8=20...(14) H LEU 29 + HG3 GLN 26 OK 57 100 - 57 - 4.8/4194=11, ~4191=10...(11) H LEU 29 + HG2 GLN 26 OK 57 100 - 57 - 4.8/4194=11, ~4191=10...(11) Peak 1581 from cnoeabs.peaks (4.49, 2.29, 34.10 ppm; 3.82 A): 2 out of 2 assignments used, quality = 1.00: * HA GLN 26 + HG2 GLN 26 OK 98 100 - 98 - 3.9=93, 92/4.9=20...(18) HA GLN 26 + HG3 GLN 26 OK 98 100 - 98 - 3.9=93, 92/4.9=20...(18) Peak 1582 from cnoeabs.peaks (2.02, 2.29, 34.10 ppm; 3.18 A): 4 out of 4 assignments used, quality = 1.00: HB3 GLN 26 + HG2 GLN 26 OK 100 100 - 100 - 3.0=100 * HB2 GLN 26 + HG2 GLN 26 OK 100 100 - 100 - 3.0=100 HB3 GLN 26 + HG3 GLN 26 OK 100 100 - 100 - 3.0=100 HB2 GLN 26 + HG3 GLN 26 OK 100 100 - 100 - 3.0=100 Peak 1583 from cnoeabs.peaks (2.02, 2.29, 34.10 ppm; 3.18 A): 4 out of 4 assignments used, quality = 1.00: * HB3 GLN 26 + HG2 GLN 26 OK 100 100 - 100 - 3.0=100 HB2 GLN 26 + HG2 GLN 26 OK 100 100 - 100 - 3.0=100 HB3 GLN 26 + HG3 GLN 26 OK 100 100 - 100 - 3.0=100 HB2 GLN 26 + HG3 GLN 26 OK 100 100 - 100 - 3.0=100 Peak 1584 from cnoeabs.peaks (2.29, 2.29, 34.10 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 GLN 26 + HG2 GLN 26 OK 100 100 - 100 HG3 GLN 26 + HG3 GLN 26 OK 100 100 - 100 Peak 1585 from cnoeabs.peaks (2.29, 2.29, 34.10 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG2 GLN 26 + HG2 GLN 26 OK 100 100 - 100 HG3 GLN 26 + HG3 GLN 26 OK 100 100 - 100 Reference assignment not found: HG3 GLN 26 - HG2 GLN 26 Peak 1586 from cnoeabs.peaks (7.40, 2.29, 34.10 ppm; 4.07 A): 2 out of 2 assignments used, quality = 1.00: * HE21 GLN 26 + HG2 GLN 26 OK 100 100 - 100 - 3.5=100 HE21 GLN 26 + HG3 GLN 26 OK 100 100 - 100 - 3.5=100 Peak 1587 from cnoeabs.peaks (7.64, 2.29, 34.10 ppm; 3.37 A): 2 out of 8 assignments used, quality = 1.00: * HE22 GLN 26 + HG2 GLN 26 OK 95 100 - 95 - 3.5=90, 431/1.8=19...(12) HE22 GLN 26 + HG3 GLN 26 OK 95 100 - 95 - 3.5=90, 431/1.8=19...(12) H HIS 25 - HG2 GLN 26 OK 38 97 - 39 - 877/4.9=12, 2.9/4189=6...(10) H HIS 25 - HG3 GLN 26 OK 38 97 - 39 - 877/4.9=12, 2.9/4189=6...(10) HE22 GLN 47 - HG2 GLN 26 lone 1 78 - 1 - HE22 GLN 47 - HG3 GLN 26 lone 1 78 - 1 - H LYS 39 - HG2 GLN 26 lone 1 60 - 1 - H LYS 39 - HG3 GLN 26 lone 1 60 - 1 - Peak 1588 from cnoeabs.peaks (8.51, 2.29, 34.10 ppm; 4.13 A): 4 out of 4 assignments used, quality = 1.00: H GLN 26 + HG2 GLN 26 OK 91 100 - 91 - 4.9=59, 582/1.8=20...(14) * H GLN 26 + HG3 GLN 26 OK 91 100 - 91 - 4.9=59, 582/1.8=20...(14) H LEU 29 + HG3 GLN 26 OK 57 100 - 57 - 4.8/4194=11, ~4191=10...(12) H LEU 29 + HG2 GLN 26 OK 57 100 - 57 - 4.8/4194=11, ~4191=10...(11) Peak 1589 from cnoeabs.peaks (4.49, 2.29, 34.10 ppm; 3.82 A): 2 out of 2 assignments used, quality = 1.00: * HA GLN 26 + HG3 GLN 26 OK 98 100 - 98 - 3.9=93, 92/4.9=20...(18) HA GLN 26 + HG2 GLN 26 OK 98 100 - 98 - 3.9=93, 92/4.9=20...(18) Peak 1590 from cnoeabs.peaks (2.02, 2.29, 34.10 ppm; 3.18 A): 4 out of 4 assignments used, quality = 1.00: HB3 GLN 26 + HG3 GLN 26 OK 100 100 - 100 - 3.0=100 * HB2 GLN 26 + HG3 GLN 26 OK 100 100 - 100 - 3.0=100 HB2 GLN 26 + HG2 GLN 26 OK 100 100 - 100 - 3.0=100 HB3 GLN 26 + HG2 GLN 26 OK 100 100 - 100 - 3.0=100 Peak 1591 from cnoeabs.peaks (2.02, 2.29, 34.10 ppm; 3.18 A): 4 out of 4 assignments used, quality = 1.00: * HB3 GLN 26 + HG3 GLN 26 OK 100 100 - 100 - 3.0=100 HB2 GLN 26 + HG3 GLN 26 OK 100 100 - 100 - 3.0=100 HB2 GLN 26 + HG2 GLN 26 OK 100 100 - 100 - 3.0=100 HB3 GLN 26 + HG2 GLN 26 OK 100 100 - 100 - 3.0=100 Peak 1592 from cnoeabs.peaks (2.29, 2.29, 34.10 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG3 GLN 26 + HG3 GLN 26 OK 100 100 - 100 HG2 GLN 26 + HG2 GLN 26 OK 100 100 - 100 Reference assignment not found: HG2 GLN 26 - HG3 GLN 26 Peak 1593 from cnoeabs.peaks (2.29, 2.29, 34.10 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 GLN 26 + HG3 GLN 26 OK 100 100 - 100 HG2 GLN 26 + HG2 GLN 26 OK 100 100 - 100 Peak 1594 from cnoeabs.peaks (7.40, 2.29, 34.10 ppm; 4.07 A): 2 out of 2 assignments used, quality = 1.00: * HE21 GLN 26 + HG3 GLN 26 OK 100 100 - 100 - 3.5=100 HE21 GLN 26 + HG2 GLN 26 OK 100 100 - 100 - 3.5=100 Peak 1595 from cnoeabs.peaks (7.64, 2.29, 34.10 ppm; 3.37 A): 2 out of 8 assignments used, quality = 1.00: * HE22 GLN 26 + HG3 GLN 26 OK 95 100 - 95 - 3.5=90, 431/1.8=19...(12) HE22 GLN 26 + HG2 GLN 26 OK 95 100 - 95 - 3.5=90, 431/1.8=19...(12) H HIS 25 - HG2 GLN 26 OK 38 97 - 39 - 877/4.9=12, 2.9/4189=6...(10) H HIS 25 - HG3 GLN 26 OK 38 97 - 39 - 877/4.9=12, 2.9/4189=6...(10) HE22 GLN 47 - HG3 GLN 26 lone 1 78 - 1 - HE22 GLN 47 - HG2 GLN 26 lone 1 78 - 1 - H LYS 39 - HG3 GLN 26 lone 1 60 - 1 - H LYS 39 - HG2 GLN 26 lone 1 60 - 1 - Peak 1596 from cnoeabs.peaks (8.12, 3.90, 56.76 ppm; 3.90 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 27 + HA LYS 27 OK 100 100 - 100 - 3.0=100 Peak 1597 from cnoeabs.peaks (3.90, 3.90, 56.76 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 27 + HA LYS 27 OK 100 100 - 100 Peak 1598 from cnoeabs.peaks (1.42, 3.90, 56.76 ppm; 3.46 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 27 + HA LYS 27 OK 100 100 - 100 - 3.0=100 Peak 1599 from cnoeabs.peaks (1.56, 3.90, 56.76 ppm; 3.69 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 27 + HA LYS 27 OK 100 100 - 100 - 3.0=100 Peak 1600 from cnoeabs.peaks (0.63, 3.90, 56.76 ppm; 3.70 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 27 + HA LYS 27 OK 100 100 - 100 - 3.7=100 Peak 1601 from cnoeabs.peaks (1.16, 3.90, 56.76 ppm; 3.94 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 27 + HA LYS 27 OK 100 100 - 100 - 3.7=100 Peak 1602 from cnoeabs.peaks (1.23, 3.90, 56.76 ppm; 3.97 A): 1 out of 6 assignments used, quality = 0.90: * HD2 LYS 27 + HA LYS 27 OK 90 100 - 90 - 4.9=53, 1.8/1603=23...(13) HB2 LEU 29 - HA LYS 27 lone 7 96 - 7 - 592/3.0=3 HG LEU 19 - HA LYS 27 lone 6 97 - 6 - 4109/3.7=2, 592/3.0=1 HB2 LEU 43 - HA LYS 27 lone 5 100 - 4 - 4473/4.9=1, 592/3.0=1 QG2 THR 46 - HA LYS 27 lone 3 83 - 4 - QG2 THR 14 - HA LYS 27 lone 2 76 - 2 - 592/3.0=1 Peak 1603 from cnoeabs.peaks (1.33, 3.90, 56.76 ppm; 4.71 A): 1 out of 6 assignments used, quality = 0.99: * HD3 LYS 27 + HA LYS 27 OK 99 100 - 99 - 4.9=88, 1.8/1602=37...(13) HG2 ARG 34 - HA LYS 27 lone 7 99 - 7 - 593/3.0=2, 1657=2 QB ALA 38 - HA LYS 27 lone 5 97 - 5 - 593/3.0=1 HG3 LYS 42 - HA LYS 27 lone 2 81 - 3 - HG2 LYS 42 - HA LYS 27 lone 2 81 - 3 - HG2 LYS 58 - HA LYS 27 lone 2 68 - 3 - Peak 1606 from cnoeabs.peaks (8.12, 1.42, 32.95 ppm; 4.25 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 27 + HB2 LYS 27 OK 100 100 - 100 - 4.0=100 Peak 1607 from cnoeabs.peaks (3.90, 1.42, 32.95 ppm; 3.68 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 27 + HB2 LYS 27 OK 100 100 - 100 - 3.0=100 Peak 1608 from cnoeabs.peaks (1.42, 1.42, 32.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 27 + HB2 LYS 27 OK 100 100 - 100 Peak 1609 from cnoeabs.peaks (1.56, 1.42, 32.95 ppm; 2.85 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 27 + HB2 LYS 27 OK 100 100 - 100 - 1.8=100 Peak 1610 from cnoeabs.peaks (0.63, 1.42, 32.95 ppm; 4.08 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 27 + HB2 LYS 27 OK 100 100 - 100 - 3.0=100 Peak 1611 from cnoeabs.peaks (1.16, 1.42, 32.95 ppm; 3.86 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 27 + HB2 LYS 27 OK 100 100 - 100 - 3.0=100 Peak 1612 from cnoeabs.peaks (1.23, 1.42, 32.95 ppm; 4.17 A): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 27 + HB2 LYS 27 OK 100 100 - 100 - 3.8=100 Peak 1613 from cnoeabs.peaks (1.33, 1.42, 32.95 ppm; 4.26 A): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 27 + HB2 LYS 27 OK 100 100 - 100 - 3.8=100 Peak 1616 from cnoeabs.peaks (8.12, 1.56, 32.95 ppm; 3.91 A): 1 out of 4 assignments used, quality = 0.99: * H LYS 27 + HB3 LYS 27 OK 99 100 - 99 - 4.0=97, 591/3.0=34...(11) H THR 46 - HB3 LYS 27 OK 13 78 - 17 - 1636/3.0=4, 1626/3.0=4...(5) H SER 24 - HB3 LYS 27 OK 13 99 - 13 - 1626/3.0=3, 1636/3.0=3...(5) H LEU 68 - HB3 LYS 27 lone 4 78 - 5 - Peak 1617 from cnoeabs.peaks (3.90, 1.56, 32.95 ppm; 3.88 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 27 + HB3 LYS 27 OK 100 100 - 100 - 3.0=100 Peak 1618 from cnoeabs.peaks (1.42, 1.56, 32.95 ppm; 2.82 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 27 + HB3 LYS 27 OK 100 100 - 100 - 1.8=100 Peak 1619 from cnoeabs.peaks (1.56, 1.56, 32.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 27 + HB3 LYS 27 OK 100 100 - 100 Peak 1620 from cnoeabs.peaks (0.63, 1.56, 32.95 ppm; 4.12 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 27 + HB3 LYS 27 OK 100 100 - 100 - 3.0=100 Peak 1621 from cnoeabs.peaks (1.16, 1.56, 32.95 ppm; 3.78 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 27 + HB3 LYS 27 OK 100 100 - 100 - 3.0=100 Peak 1622 from cnoeabs.peaks (1.23, 1.56, 32.95 ppm; 4.34 A): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 27 + HB3 LYS 27 OK 100 100 - 100 - 3.8=100 Peak 1623 from cnoeabs.peaks (1.33, 1.56, 32.95 ppm; 4.19 A): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 27 + HB3 LYS 27 OK 100 100 - 100 - 3.8=100 Peak 1624 from cnoeabs.peaks (2.84, 1.56, 32.95 ppm; 5.13 A): 1 out of 2 assignments used, quality = 0.99: * HE2 LYS 27 + HB3 LYS 27 OK 99 100 - 99 - 5.2=98, ~1658=25...(8) HD3 ARG 56 - HB3 LYS 27 OK 18 99 - 18 - 1.8/4197=7, 4215/4207=6, ~4198=5 Peak 1626 from cnoeabs.peaks (8.12, 0.63, 24.91 ppm; 4.62 A): 1 out of 4 assignments used, quality = 0.99: * H LYS 27 + HG2 LYS 27 OK 99 100 - 99 - 5.0=81, 591/1.8=49...(11) H THR 46 - HG2 LYS 27 OK 23 78 - 29 - 1636/1.8=6, 1646/2.9=5...(8) H SER 24 - HG2 LYS 27 OK 20 99 - 20 - 4.4/4650=6, 1636/1.8=4...(5) H LEU 68 - HG2 LYS 27 lone 5 78 - 6 - 1636/1.8=1, 1616/3.0=1...(4) Peak 1627 from cnoeabs.peaks (3.90, 0.63, 24.91 ppm; 4.23 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 27 + HG2 LYS 27 OK 100 100 - 100 - 3.7=100 Peak 1628 from cnoeabs.peaks (1.42, 0.63, 24.91 ppm; 4.19 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 27 + HG2 LYS 27 OK 100 100 - 100 - 3.0=100 Peak 1629 from cnoeabs.peaks (1.56, 0.63, 24.91 ppm; 4.37 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 27 + HG2 LYS 27 OK 100 100 - 100 - 3.0=100 Peak 1630 from cnoeabs.peaks (0.63, 0.63, 24.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 27 + HG2 LYS 27 OK 100 100 - 100 Peak 1631 from cnoeabs.peaks (1.16, 0.63, 24.91 ppm; 2.89 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 27 + HG2 LYS 27 OK 100 100 - 100 - 1.8=100 Peak 1632 from cnoeabs.peaks (1.23, 0.63, 24.91 ppm; 3.58 A): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 27 + HG2 LYS 27 OK 100 100 - 100 - 2.9=100 Peak 1633 from cnoeabs.peaks (1.33, 0.63, 24.91 ppm; 4.09 A): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 27 + HG2 LYS 27 OK 100 100 - 100 - 2.9=100 Peak 1634 from cnoeabs.peaks (2.84, 0.63, 24.91 ppm; 4.75 A): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 27 + HG2 LYS 27 OK 100 100 - 100 - 3.8=100 Peak 1635 from cnoeabs.peaks (2.76, 0.63, 24.91 ppm; 4.63 A): 1 out of 1 assignment used, quality = 1.00: * HE3 LYS 27 + HG2 LYS 27 OK 100 100 - 100 - 3.8=100 Peak 1636 from cnoeabs.peaks (8.12, 1.16, 24.91 ppm; 4.23 A): 1 out of 4 assignments used, quality = 0.96: * H LYS 27 + HG3 LYS 27 OK 96 100 - 96 - 5.0=62, 590/1.8=41...(10) H THR 46 - HG3 LYS 27 OK 19 78 - 24 - 1626/1.8=5, 1646/2.9=4...(8) H SER 24 - HG3 LYS 27 OK 13 99 - 13 - 1626/1.8=5, 1616/3.0=3...(4) H LEU 68 - HG3 LYS 27 lone 4 78 - 5 - 1626/1.8=1, 1616/3.0=1 Peak 1637 from cnoeabs.peaks (3.90, 1.16, 24.91 ppm; 4.33 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 27 + HG3 LYS 27 OK 100 100 - 100 - 3.7=100 Peak 1638 from cnoeabs.peaks (1.42, 1.16, 24.91 ppm; 4.05 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 27 + HG3 LYS 27 OK 100 100 - 100 - 3.0=100 Peak 1639 from cnoeabs.peaks (1.56, 1.16, 24.91 ppm; 4.09 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 27 + HG3 LYS 27 OK 100 100 - 100 - 3.0=100 Peak 1640 from cnoeabs.peaks (0.63, 1.16, 24.91 ppm; 2.89 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 27 + HG3 LYS 27 OK 100 100 - 100 - 1.8=100 Peak 1641 from cnoeabs.peaks (1.16, 1.16, 24.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 27 + HG3 LYS 27 OK 100 100 - 100 Peak 1642 from cnoeabs.peaks (1.23, 1.16, 24.91 ppm; 2.97 A): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 27 + HG3 LYS 27 OK 100 100 - 100 - 2.9=100 Peak 1643 from cnoeabs.peaks (1.33, 1.16, 24.91 ppm; 3.52 A): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 27 + HG3 LYS 27 OK 100 100 - 100 - 2.9=100 Peak 1644 from cnoeabs.peaks (2.84, 1.16, 24.91 ppm; 4.61 A): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 27 + HG3 LYS 27 OK 100 100 - 100 - 3.8=100 Peak 1645 from cnoeabs.peaks (2.76, 1.16, 24.91 ppm; 4.61 A): 1 out of 1 assignment used, quality = 1.00: * HE3 LYS 27 + HG3 LYS 27 OK 100 100 - 100 - 3.8=100 Peak 1646 from cnoeabs.peaks (8.12, 1.23, 28.52 ppm; 5.04 A): 1 out of 4 assignments used, quality = 0.98: * H LYS 27 + HD2 LYS 27 OK 98 100 - 98 - 6.1=56, 591/2.9=46...(9) H THR 46 - HD2 LYS 27 OK 28 78 - 36 - 2.9/1647=9, 1656/1.8=7...(8) H SER 24 - HD2 LYS 27 OK 18 99 - 18 - 1626/2.9=5, 1636/2.9=4...(4) H LEU 68 - HD2 LYS 27 lone 6 78 - 7 - 1656/1.8=1, 1626/2.9=1...(4) Peak 1647 from cnoeabs.peaks (3.90, 1.23, 28.52 ppm; 4.30 A): 1 out of 4 assignments used, quality = 0.95: * HA LYS 27 + HD2 LYS 27 OK 95 100 - 95 - 4.9=67, 1603/1.8=28...(13) HA THR 46 - HD2 LYS 27 OK 27 100 - 27 - 1657/1.8=6, 2.9/1646=5...(10) HD2 PRO 32 - HD2 LYS 27 lone 4 97 - 4 - 1657/1.8=1 HB2 SER 65 - HD2 LYS 27 lone 1 63 - 2 - Peak 1648 from cnoeabs.peaks (1.42, 1.23, 28.52 ppm; 4.28 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 27 + HD2 LYS 27 OK 100 100 - 100 - 3.8=100 Peak 1649 from cnoeabs.peaks (1.56, 1.23, 28.52 ppm; 4.42 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 27 + HD2 LYS 27 OK 100 100 - 100 - 3.8=100 Peak 1650 from cnoeabs.peaks (0.63, 1.23, 28.52 ppm; 3.81 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 27 + HD2 LYS 27 OK 100 100 - 100 - 2.9=100 Peak 1651 from cnoeabs.peaks (1.16, 1.23, 28.52 ppm; 2.96 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 27 + HD2 LYS 27 OK 100 100 - 100 - 2.9=100 Peak 1652 from cnoeabs.peaks (1.23, 1.23, 28.52 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 27 + HD2 LYS 27 OK 100 100 - 100 Peak 1653 from cnoeabs.peaks (1.33, 1.23, 28.52 ppm; 2.56 A): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 27 + HD2 LYS 27 OK 100 100 - 100 - 1.8=100 Peak 1654 from cnoeabs.peaks (2.84, 1.23, 28.52 ppm; 4.00 A): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 27 + HD2 LYS 27 OK 100 100 - 100 - 3.0=100 Peak 1655 from cnoeabs.peaks (2.76, 1.23, 28.52 ppm; 4.07 A): 1 out of 1 assignment used, quality = 1.00: * HE3 LYS 27 + HD2 LYS 27 OK 100 100 - 100 - 3.0=100 Peak 1656 from cnoeabs.peaks (8.12, 1.33, 28.52 ppm; 5.11 A): 1 out of 8 assignments used, quality = 0.98: * H LYS 27 + HD3 LYS 27 OK 98 100 - 99 - 6.1=58, 591/2.9=47...(9) H THR 46 - HD3 LYS 27 OK 33 78 - 42 - 1646/1.8=8, 2.9/1657=7...(11) H SER 24 - HD3 LYS 27 OK 19 99 - 19 - 1626/2.9=5, 1646/1.8=5...(4) H THR 46 - HG2 ARG 34 OK 18 37 - 48 - 3.6/4511=16, 4.6/4510=10...(13) H LEU 68 - HD3 LYS 27 lone 6 78 - 8 - 1646/1.8=2, 1626/2.9=1...(4) H LYS 27 - HG2 ARG 34 lone 5 56 - 9 - 593=3, 3.0/1603=2 H SER 24 - HG2 ARG 34 lone 3 53 - 5 - 884/4.9=1 H LEU 68 - HG2 ARG 34 lone 2 37 - 5 - 884/4.9=1 Peak 1657 from cnoeabs.peaks (3.90, 1.33, 28.52 ppm; 4.78 A): 1 out of 8 assignments used, quality = 0.99: * HA LYS 27 + HD3 LYS 27 OK 99 100 - 99 - 4.9=92, 1602/1.8=38...(13) HA THR 46 - HD3 LYS 27 OK 30 100 - 30 - 1647/1.8=10, 2.9/1656=5...(8) HA THR 46 - HG2 ARG 34 OK 16 56 - 29 - 4535=6, 4534/1.8=6...(8) HA LYS 27 - HG2 ARG 34 lone 5 56 - 9 - 1603=3, 3.0/593=2 HD2 PRO 32 - HD3 LYS 27 lone 5 97 - 5 - 1647/1.8=2 HD2 PRO 32 - HG2 ARG 34 lone 3 51 - 6 - ~1904=1, ~1896=1 HB2 SER 65 - HD3 LYS 27 lone 1 63 - 2 - HB2 SER 65 - HG2 ARG 34 lone 0 28 - 2 - Peak 1658 from cnoeabs.peaks (1.42, 1.33, 28.52 ppm; 3.20 A): 1 out of 16 assignments used, quality = 0.77: * HB2 LYS 27 + HD3 LYS 27 OK 77 100 - 77 - 3.8=62, 3.0/1603=12...(7) HG3 LYS 49 - HD3 LYS 27 poor 10 83 - 12 - ~4586=8, ~4585=2, ~4584=1 HG3 LYS 49 - HG2 ARG 34 poor 6 40 - 16 - ~4592=5, ~4593=4...(4) HB3 LEU 41 - HD3 LYS 27 lone 4 98 - 4 - 4461=2 HB3 LEU 41 - HG2 ARG 34 lone 3 52 - 6 - 4461=2 HG2 LYS 39 - HD3 LYS 27 lone 2 96 - 2 - HB2 LYS 27 - HG2 ARG 34 lone 1 56 - 2 - HG2 LYS 39 - HG2 ARG 34 lone 1 49 - 2 - HG2 LYS 62 - HD3 LYS 27 lone 1 92 - 1 - HG3 LYS 62 - HD3 LYS 27 lone 1 92 - 1 - HG3 LYS 60 - HD3 LYS 27 lone 1 98 - 1 - HG2 LYS 60 - HD3 LYS 27 lone 1 99 - 1 - HG2 LYS 60 - HG2 ARG 34 lone 0 53 - 1 - HG3 LYS 60 - HG2 ARG 34 lone 0 52 - 1 - HG3 LYS 62 - HG2 ARG 34 lone 0 46 - 1 - HG2 LYS 62 - HG2 ARG 34 lone 0 46 - 1 - Peak 1659 from cnoeabs.peaks (1.56, 1.33, 28.52 ppm; 3.14 A): 0 out of 1 assignment used, low quality = 0.31: HG3 ARG 34 - HG2 ARG 34 OK 31 31 - 100 - 1.8=100 Reference assignment not found: HB3 LYS 27 - HD3 LYS 27 Peak 1660 from cnoeabs.peaks (0.63, 1.33, 28.52 ppm; 4.12 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 27 + HD3 LYS 27 OK 100 100 - 100 - 2.9=100 Peak 1661 from cnoeabs.peaks (1.16, 1.33, 28.52 ppm; 3.09 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 27 + HD3 LYS 27 OK 100 100 - 100 - 2.9=100 Peak 1662 from cnoeabs.peaks (1.23, 1.33, 28.52 ppm; 2.57 A): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 27 + HD3 LYS 27 OK 100 100 - 100 - 1.8=100 Peak 1663 from cnoeabs.peaks (1.33, 1.33, 28.52 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 27 + HD3 LYS 27 OK 100 100 - 100 HG2 ARG 34 + HG2 ARG 34 OK 53 53 - 100 Peak 1664 from cnoeabs.peaks (2.84, 1.33, 28.52 ppm; 4.04 A): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 27 + HD3 LYS 27 OK 100 100 - 100 - 3.0=100 Peak 1665 from cnoeabs.peaks (2.76, 1.33, 28.52 ppm; 4.01 A): 1 out of 1 assignment used, quality = 1.00: * HE3 LYS 27 + HD3 LYS 27 OK 100 100 - 100 - 3.0=100 Peak 1670 from cnoeabs.peaks (0.63, 2.84, 42.40 ppm; 4.49 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 27 + HE2 LYS 27 OK 100 100 - 100 - 3.8=100 Peak 1671 from cnoeabs.peaks (1.16, 2.84, 42.40 ppm; 4.39 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 27 + HE2 LYS 27 OK 100 100 - 100 - 3.8=100 Peak 1672 from cnoeabs.peaks (1.23, 2.84, 42.40 ppm; 3.97 A): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 27 + HE2 LYS 27 OK 100 100 - 100 - 3.0=100 Peak 1673 from cnoeabs.peaks (1.33, 2.84, 42.40 ppm; 3.88 A): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 27 + HE2 LYS 27 OK 100 100 - 100 - 3.0=100 Peak 1674 from cnoeabs.peaks (2.84, 2.84, 42.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 27 + HE2 LYS 27 OK 100 100 - 100 Peak 1675 from cnoeabs.peaks (2.76, 2.84, 42.40 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HE3 LYS 27 + HE2 LYS 27 OK 100 100 - 100 - 1.8=100 Peak 1678 from cnoeabs.peaks (1.42, 2.76, 42.40 ppm; 6.00 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 27 + HE3 LYS 27 OK 100 100 - 100 - 5.2=100 Peak 1680 from cnoeabs.peaks (0.63, 2.76, 42.40 ppm; 4.61 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 27 + HE3 LYS 27 OK 100 100 - 100 - 3.8=100 Peak 1681 from cnoeabs.peaks (1.16, 2.76, 42.40 ppm; 4.60 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 27 + HE3 LYS 27 OK 100 100 - 100 - 3.8=100 Peak 1682 from cnoeabs.peaks (1.23, 2.76, 42.40 ppm; 4.09 A): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 27 + HE3 LYS 27 OK 100 100 - 100 - 3.0=100 Peak 1683 from cnoeabs.peaks (1.33, 2.76, 42.40 ppm; 4.08 A): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 27 + HE3 LYS 27 OK 100 100 - 100 - 3.0=100 Peak 1684 from cnoeabs.peaks (2.84, 2.76, 42.40 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 27 + HE3 LYS 27 OK 100 100 - 100 - 1.8=100 Peak 1685 from cnoeabs.peaks (2.76, 2.76, 42.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE3 LYS 27 + HE3 LYS 27 OK 100 100 - 100 Peak 1686 from cnoeabs.peaks (7.50, 4.72, 56.38 ppm; 5.86 A): 1 out of 1 assignment used, quality = 1.00: * H TYR 28 + HA TYR 28 OK 100 100 - 100 - 3.0=100 Peak 1687 from cnoeabs.peaks (4.72, 4.72, 56.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA TYR 28 + HA TYR 28 OK 100 100 - 100 Peak 1688 from cnoeabs.peaks (2.95, 4.72, 56.38 ppm; 3.94 A): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 28 + HA TYR 28 OK 100 100 - 100 - 3.0=100 Peak 1689 from cnoeabs.peaks (2.72, 4.72, 56.38 ppm; 4.37 A): 1 out of 1 assignment used, quality = 1.00: * HB3 TYR 28 + HA TYR 28 OK 100 100 - 100 - 3.0=100 Peak 1691 from cnoeabs.peaks (7.13, 4.72, 56.38 ppm; 3.65 A): 1 out of 4 assignments used, quality = 0.97: * QD TYR 28 + HA TYR 28 OK 97 100 - 97 - 3.7=93, 4662/3.0=25...(5) QD TYR 57 - HA TYR 28 lone 2 85 - 3 - 601/3.0=2 HD1 TRP 51 - HA TYR 28 lone 2 92 - 2 - 601/3.0=2 HD2 HIS 13 - HA TYR 28 lone 1 100 - 1 - Peak 1692 from cnoeabs.peaks (7.50, 2.95, 41.18 ppm; 4.63 A): 1 out of 1 assignment used, quality = 1.00: * H TYR 28 + HB2 TYR 28 OK 100 100 - 100 - 3.9=100 Peak 1693 from cnoeabs.peaks (4.72, 2.95, 41.18 ppm; 4.07 A): 1 out of 1 assignment used, quality = 1.00: * HA TYR 28 + HB2 TYR 28 OK 100 100 - 100 - 3.0=100 Peak 1694 from cnoeabs.peaks (2.95, 2.95, 41.18 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 28 + HB2 TYR 28 OK 100 100 - 100 Peak 1695 from cnoeabs.peaks (2.72, 2.95, 41.18 ppm; 2.90 A): 1 out of 1 assignment used, quality = 1.00: * HB3 TYR 28 + HB2 TYR 28 OK 100 100 - 100 - 1.8=100 Peak 1696 from cnoeabs.peaks (6.79, 2.95, 41.18 ppm; 5.00 A): 1 out of 1 assignment used, quality = 1.00: * QE TYR 28 + HB2 TYR 28 OK 100 100 - 100 - 4.4=100 Peak 1697 from cnoeabs.peaks (7.13, 2.95, 41.18 ppm; 3.59 A): 1 out of 1 assignment used, quality = 1.00: * QD TYR 28 + HB2 TYR 28 OK 100 100 - 100 - 2.5=100 Peak 1698 from cnoeabs.peaks (7.50, 2.72, 41.18 ppm; 4.18 A): 1 out of 1 assignment used, quality = 1.00: * H TYR 28 + HB3 TYR 28 OK 100 100 - 100 - 3.9=100 Peak 1699 from cnoeabs.peaks (4.72, 2.72, 41.18 ppm; 4.42 A): 1 out of 1 assignment used, quality = 1.00: * HA TYR 28 + HB3 TYR 28 OK 100 100 - 100 - 3.0=100 Peak 1700 from cnoeabs.peaks (2.95, 2.72, 41.18 ppm; 2.91 A): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 28 + HB3 TYR 28 OK 100 100 - 100 - 1.8=100 Peak 1701 from cnoeabs.peaks (2.72, 2.72, 41.18 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 TYR 28 + HB3 TYR 28 OK 100 100 - 100 Peak 1702 from cnoeabs.peaks (6.79, 2.72, 41.18 ppm; 5.20 A): 1 out of 1 assignment used, quality = 1.00: * QE TYR 28 + HB3 TYR 28 OK 100 100 - 100 - 4.4=100 Peak 1703 from cnoeabs.peaks (7.13, 2.72, 41.18 ppm; 3.66 A): 1 out of 1 assignment used, quality = 1.00: * QD TYR 28 + HB3 TYR 28 OK 100 100 - 100 - 2.5=100 Peak 1706 from cnoeabs.peaks (2.95, 6.79, 117.91 ppm; 5.34 A): 1 out of 1 assignment used, quality = 0.92: * HB2 TYR 28 + QE TYR 28 OK 92 92 - 100 - 4.4=100 Peak 1707 from cnoeabs.peaks (2.72, 6.79, 117.91 ppm; 4.62 A): 1 out of 1 assignment used, quality = 0.92: * HB3 TYR 28 + QE TYR 28 OK 92 92 - 100 - 4.4=100 Peak 1708 from cnoeabs.peaks (6.79, 6.79, 117.91 ppm; diagonal): 1 out of 1 assignment used, quality = 0.92: * QE TYR 28 + QE TYR 28 OK 92 92 - 100 Peak 1709 from cnoeabs.peaks (7.13, 6.79, 117.91 ppm; 2.99 A): 1 out of 1 assignment used, quality = 0.92: * QD TYR 28 + QE TYR 28 OK 92 92 - 100 - 2.2=100 Peak 1712 from cnoeabs.peaks (2.95, 7.13, 133.60 ppm; 5.06 A): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 28 + QD TYR 28 OK 100 100 - 100 - 2.5=100 Peak 1713 from cnoeabs.peaks (2.72, 7.13, 133.60 ppm; 5.21 A): 1 out of 1 assignment used, quality = 1.00: * HB3 TYR 28 + QD TYR 28 OK 100 100 - 100 - 2.5=100 Peak 1714 from cnoeabs.peaks (6.79, 7.13, 133.60 ppm; 4.00 A): 1 out of 1 assignment used, quality = 1.00: * QE TYR 28 + QD TYR 28 OK 100 100 - 100 - 2.2=100 Peak 1715 from cnoeabs.peaks (7.13, 7.13, 133.60 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD TYR 28 + QD TYR 28 OK 100 100 - 100 Peak 1717 from cnoeabs.peaks (4.58, 4.58, 53.06 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 29 + HA LEU 29 OK 100 100 - 100 Peak 1718 from cnoeabs.peaks (1.24, 4.58, 53.06 ppm; 3.40 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 29 + HA LEU 29 OK 100 100 - 100 - 3.0=100 Peak 1719 from cnoeabs.peaks (1.46, 4.58, 53.06 ppm; 3.53 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 29 + HA LEU 29 OK 100 100 - 100 - 3.0=100 Peak 1720 from cnoeabs.peaks (0.74, 4.58, 53.06 ppm; 4.11 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 29 + HA LEU 29 OK 100 100 - 100 - 3.7=100 Peak 1721 from cnoeabs.peaks (0.15, 4.58, 53.06 ppm; 4.23 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 29 + HA LEU 29 OK 100 100 - 100 - 4.0=100 Peak 1722 from cnoeabs.peaks (0.46, 4.58, 53.06 ppm; 3.31 A): 1 out of 1 assignment used, quality = 0.82: * QD2 LEU 29 + HA LEU 29 OK 82 100 - 82 - 4.0=55, 121/3.6=17...(12) Peak 1723 from cnoeabs.peaks (8.50, 1.24, 44.31 ppm; 4.57 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 29 + HB2 LEU 29 OK 100 100 - 100 - 4.0=100 Peak 1724 from cnoeabs.peaks (4.58, 1.24, 44.31 ppm; 3.68 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 29 + HB2 LEU 29 OK 100 100 - 100 - 3.0=100 Peak 1725 from cnoeabs.peaks (1.24, 1.24, 44.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 29 + HB2 LEU 29 OK 100 100 - 100 Peak 1726 from cnoeabs.peaks (1.46, 1.24, 44.31 ppm; 2.85 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 29 + HB2 LEU 29 OK 100 100 - 100 - 1.8=100 Peak 1727 from cnoeabs.peaks (0.74, 1.24, 44.31 ppm; 4.22 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 29 + HB2 LEU 29 OK 100 100 - 100 - 3.0=100 Peak 1728 from cnoeabs.peaks (0.15, 1.24, 44.31 ppm; 3.65 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 29 + HB2 LEU 29 OK 100 100 - 100 - 3.1=100 Peak 1729 from cnoeabs.peaks (0.46, 1.24, 44.31 ppm; 3.76 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 29 + HB2 LEU 29 OK 100 100 - 100 - 3.1=100 Peak 1730 from cnoeabs.peaks (8.50, 1.46, 44.31 ppm; 4.15 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 29 + HB3 LEU 29 OK 100 100 - 100 - 4.0=100 Peak 1731 from cnoeabs.peaks (4.58, 1.46, 44.31 ppm; 3.78 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 29 + HB3 LEU 29 OK 100 100 - 100 - 3.0=100 Peak 1732 from cnoeabs.peaks (1.24, 1.46, 44.31 ppm; 2.84 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 29 + HB3 LEU 29 OK 100 100 - 100 - 1.8=100 Peak 1733 from cnoeabs.peaks (1.46, 1.46, 44.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 29 + HB3 LEU 29 OK 100 100 - 100 Peak 1734 from cnoeabs.peaks (0.74, 1.46, 44.31 ppm; 3.99 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 29 + HB3 LEU 29 OK 100 100 - 100 - 3.0=100 Peak 1735 from cnoeabs.peaks (0.15, 1.46, 44.31 ppm; 3.58 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 29 + HB3 LEU 29 OK 100 100 - 100 - 3.1=100 Peak 1736 from cnoeabs.peaks (0.46, 1.46, 44.31 ppm; 3.93 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 29 + HB3 LEU 29 OK 100 100 - 100 - 3.1=100 Peak 1737 from cnoeabs.peaks (8.50, 0.74, 26.77 ppm; 5.29 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 29 + HG LEU 29 OK 100 100 - 100 - 5.2=100 Peak 1739 from cnoeabs.peaks (1.24, 0.74, 26.77 ppm; 4.79 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 29 + HG LEU 29 OK 100 100 - 100 - 3.0=100 Peak 1740 from cnoeabs.peaks (1.46, 0.74, 26.77 ppm; 4.43 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 29 + HG LEU 29 OK 100 100 - 100 - 3.0=100 Peak 1741 from cnoeabs.peaks (0.74, 0.74, 26.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 29 + HG LEU 29 OK 100 100 - 100 Peak 1742 from cnoeabs.peaks (0.15, 0.74, 26.77 ppm; 3.28 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 29 + HG LEU 29 OK 100 100 - 100 - 2.1=100 Peak 1743 from cnoeabs.peaks (0.46, 0.74, 26.77 ppm; 4.01 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 29 + HG LEU 29 OK 100 100 - 100 - 2.1=100 Peak 1744 from cnoeabs.peaks (8.50, 0.15, 26.45 ppm; 5.00 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 29 + QD1 LEU 29 OK 100 100 - 100 - 4.8=100 Peak 1745 from cnoeabs.peaks (4.58, 0.15, 26.45 ppm; 5.21 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 29 + QD1 LEU 29 OK 100 100 - 100 - 4.0=100 Peak 1746 from cnoeabs.peaks (1.24, 0.15, 26.45 ppm; 4.30 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 29 + QD1 LEU 29 OK 100 100 - 100 - 3.1=100 Peak 1747 from cnoeabs.peaks (1.46, 0.15, 26.45 ppm; 3.92 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 29 + QD1 LEU 29 OK 100 100 - 100 - 3.1=100 Peak 1748 from cnoeabs.peaks (0.74, 0.15, 26.45 ppm; 3.25 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 29 + QD1 LEU 29 OK 100 100 - 100 - 2.1=100 Peak 1749 from cnoeabs.peaks (0.15, 0.15, 26.45 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 29 + QD1 LEU 29 OK 100 100 - 100 Peak 1750 from cnoeabs.peaks (0.46, 0.15, 26.45 ppm; 3.39 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 29 + QD1 LEU 29 OK 100 100 - 100 - 2.1=100 Peak 1751 from cnoeabs.peaks (8.50, 0.46, 23.31 ppm; 4.61 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 29 + QD2 LEU 29 OK 99 100 - 99 - 4.8=89, 2.9/1722=43...(11) H GLN 26 + QD2 LEU 29 OK 60 100 - 60 - 6.8/4196=15, 6.8/4195=14...(7) Peak 1752 from cnoeabs.peaks (4.58, 0.46, 23.31 ppm; 3.35 A): 2 out of 3 assignments used, quality = 0.87: * HA LEU 29 + QD2 LEU 29 OK 83 100 - 83 - 4.0=58, 3.6/121=18...(14) HA SER 30 + QD2 LEU 29 OK 22 57 - 39 - 3.0/121=21, ~117=7...(5) HA SER 12 - QD2 LEU 29 lone 6 100 - 6 - 4191/4196=2, 4190/4195=2 Peak 1753 from cnoeabs.peaks (1.24, 0.46, 23.31 ppm; 3.84 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 29 + QD2 LEU 29 OK 100 100 - 100 - 3.1=100 Peak 1754 from cnoeabs.peaks (1.46, 0.46, 23.31 ppm; 4.26 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 29 + QD2 LEU 29 OK 100 100 - 100 - 3.1=100 Peak 1755 from cnoeabs.peaks (0.74, 0.46, 23.31 ppm; 3.67 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 29 + QD2 LEU 29 OK 100 100 - 100 - 2.1=100 Peak 1756 from cnoeabs.peaks (0.15, 0.46, 23.31 ppm; 3.08 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 29 + QD2 LEU 29 OK 100 100 - 100 - 2.1=100 Peak 1757 from cnoeabs.peaks (0.46, 0.46, 23.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 29 + QD2 LEU 29 OK 100 100 - 100 Peak 1758 from cnoeabs.peaks (8.98, 4.55, 56.86 ppm; 4.09 A): 1 out of 1 assignment used, quality = 1.00: * H SER 30 + HA SER 30 OK 100 100 - 100 - 3.0=100 Peak 1759 from cnoeabs.peaks (4.55, 4.55, 56.86 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 30 + HA SER 30 OK 100 100 - 100 Peak 1760 from cnoeabs.peaks (4.01, 4.55, 56.86 ppm; 3.25 A): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 30 + HA SER 30 OK 100 100 - 100 - 3.0=100 Peak 1761 from cnoeabs.peaks (4.22, 4.55, 56.86 ppm; 3.17 A): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 30 + HA SER 30 OK 100 100 - 100 - 3.0=100 Peak 1762 from cnoeabs.peaks (8.98, 4.01, 64.90 ppm; 3.99 A): 1 out of 1 assignment used, quality = 1.00: * H SER 30 + HB2 SER 30 OK 100 100 - 100 - 4.0=100 Peak 1763 from cnoeabs.peaks (4.55, 4.01, 64.90 ppm; 3.49 A): 1 out of 1 assignment used, quality = 1.00: * HA SER 30 + HB2 SER 30 OK 100 100 - 100 - 3.0=100 Peak 1764 from cnoeabs.peaks (4.01, 4.01, 64.90 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 30 + HB2 SER 30 OK 100 100 - 100 Peak 1765 from cnoeabs.peaks (4.22, 4.01, 64.90 ppm; 2.89 A): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 30 + HB2 SER 30 OK 100 100 - 100 - 1.8=100 Peak 1766 from cnoeabs.peaks (8.98, 4.22, 64.90 ppm; 4.27 A): 1 out of 1 assignment used, quality = 1.00: * H SER 30 + HB3 SER 30 OK 100 100 - 100 - 4.0=100 Peak 1767 from cnoeabs.peaks (4.55, 4.22, 64.90 ppm; 3.50 A): 1 out of 1 assignment used, quality = 1.00: * HA SER 30 + HB3 SER 30 OK 100 100 - 100 - 3.0=100 Peak 1768 from cnoeabs.peaks (4.01, 4.22, 64.90 ppm; 2.94 A): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 30 + HB3 SER 30 OK 100 100 - 100 - 1.8=100 Peak 1769 from cnoeabs.peaks (4.22, 4.22, 64.90 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 30 + HB3 SER 30 OK 100 100 - 100 Peak 1770 from cnoeabs.peaks (9.18, 4.21, 57.19 ppm; 4.73 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 31 + HA ALA 31 OK 100 100 - 100 - 3.0=100 Peak 1771 from cnoeabs.peaks (4.21, 4.21, 57.19 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 31 + HA ALA 31 OK 100 100 - 100 Peak 1772 from cnoeabs.peaks (1.56, 4.21, 57.19 ppm; 3.12 A): 1 out of 1 assignment used, quality = 1.00: * QB ALA 31 + HA ALA 31 OK 100 100 - 100 - 2.1=100 Peak 1773 from cnoeabs.peaks (9.18, 1.56, 15.32 ppm; 3.49 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 31 + QB ALA 31 OK 100 100 - 100 - 2.9=100 Peak 1774 from cnoeabs.peaks (4.21, 1.56, 15.32 ppm; 2.87 A): 1 out of 1 assignment used, quality = 1.00: * HA ALA 31 + QB ALA 31 OK 100 100 - 100 - 2.1=100 Peak 1775 from cnoeabs.peaks (1.56, 1.56, 15.32 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 31 + QB ALA 31 OK 100 100 - 100 Peak 1776 from cnoeabs.peaks (4.38, 3.91, 50.04 ppm; 4.66 A): 1 out of 1 assignment used, quality = 1.00: * HA PRO 32 + HD2 PRO 32 OK 100 100 - 100 - 3.6=100 Peak 1777 from cnoeabs.peaks (1.80, 3.91, 50.04 ppm; 4.03 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 32 + HD2 PRO 32 OK 100 100 - 100 - 3.0=100 Peak 1778 from cnoeabs.peaks (2.31, 3.91, 50.04 ppm; 4.16 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PRO 32 + HD2 PRO 32 OK 100 100 - 100 - 3.0=100 Peak 1779 from cnoeabs.peaks (1.98, 3.91, 50.04 ppm; 3.71 A): 1 out of 1 assignment used, quality = 1.00: * HG2 PRO 32 + HD2 PRO 32 OK 100 100 - 100 - 2.3=100 Peak 1780 from cnoeabs.peaks (2.10, 3.91, 50.04 ppm; 3.53 A): 1 out of 1 assignment used, quality = 1.00: * HG3 PRO 32 + HD2 PRO 32 OK 100 100 - 100 - 2.3=100 Peak 1781 from cnoeabs.peaks (3.91, 3.91, 50.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 32 + HD2 PRO 32 OK 100 100 - 100 Peak 1782 from cnoeabs.peaks (3.80, 3.91, 50.04 ppm; 2.74 A): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 32 + HD2 PRO 32 OK 100 100 - 100 - 1.8=100 Peak 1783 from cnoeabs.peaks (4.38, 3.80, 50.04 ppm; 4.63 A): 1 out of 1 assignment used, quality = 1.00: * HA PRO 32 + HD3 PRO 32 OK 100 100 - 100 - 3.6=100 Peak 1784 from cnoeabs.peaks (1.80, 3.80, 50.04 ppm; 4.14 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 32 + HD3 PRO 32 OK 100 100 - 100 - 3.0=100 Peak 1785 from cnoeabs.peaks (2.31, 3.80, 50.04 ppm; 4.12 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PRO 32 + HD3 PRO 32 OK 100 100 - 100 - 3.0=100 Peak 1786 from cnoeabs.peaks (1.98, 3.80, 50.04 ppm; 3.45 A): 1 out of 1 assignment used, quality = 1.00: * HG2 PRO 32 + HD3 PRO 32 OK 100 100 - 100 - 2.3=100 Peak 1787 from cnoeabs.peaks (2.10, 3.80, 50.04 ppm; 3.50 A): 1 out of 1 assignment used, quality = 1.00: * HG3 PRO 32 + HD3 PRO 32 OK 100 100 - 100 - 2.3=100 Peak 1788 from cnoeabs.peaks (3.91, 3.80, 50.04 ppm; 2.73 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 32 + HD3 PRO 32 OK 100 100 - 100 - 1.8=100 Peak 1789 from cnoeabs.peaks (3.80, 3.80, 50.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 32 + HD3 PRO 32 OK 100 100 - 100 Peak 1790 from cnoeabs.peaks (4.38, 4.38, 65.82 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA PRO 32 + HA PRO 32 OK 100 100 - 100 HB2 SER 12 + HB2 SER 12 OK 70 70 - 100 Peak 1791 from cnoeabs.peaks (1.80, 4.38, 65.82 ppm; 3.51 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 32 + HA PRO 32 OK 100 100 - 100 - 2.3=100 Peak 1792 from cnoeabs.peaks (2.31, 4.38, 65.82 ppm; 3.04 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PRO 32 + HA PRO 32 OK 100 100 - 100 - 2.3=100 Peak 1793 from cnoeabs.peaks (1.98, 4.38, 65.82 ppm; 3.70 A): 2 out of 20 assignments used, quality = 0.95: * HG2 PRO 32 + HA PRO 32 OK 94 100 - 94 - 3.8=88, 2.3/1795=31...(4) HB2 MET 11 + HB2 SER 12 OK 14 61 - 23 - 3350/3.9=17, ~4740=3, 3.0/4804=1 HB3 ARG 21 - HA PRO 32 lone 7 96 - 7 - 3696/4.8=2, 3.0/4294=2...(4) HB2 ARG 21 - HA PRO 32 lone 7 92 - 7 - 3.0/4294=2, 3696/4.8=2...(4) HB3 GLU 67 - HA PRO 32 lone 3 78 - 4 - 4.7/3727=1, 129/3.5=1 HB3 GLU 18 - HA PRO 32 lone 3 93 - 3 - HB2 GLU 18 - HA PRO 32 lone 3 93 - 3 - HG2 PRO 32 - HB2 SER 12 lone 3 73 - 3 - 1811=1 HB2 MET 11 - HA PRO 32 lone 2 92 - 3 - HD3 LYS 22 - HA PRO 32 lone 2 81 - 3 - ~4855=1 HB2 GLU 18 - HB2 SER 12 lone 2 63 - 3 - 8/3.9=1 HB3 GLU 18 - HB2 SER 12 lone 2 63 - 3 - 8/3.9=1 HB3 ARG 21 - HB2 SER 12 lone 2 65 - 2 - HD3 ARG 55 - HA PRO 32 lone 1 97 - 1 - HB2 ARG 21 - HB2 SER 12 lone 1 61 - 2 - HB3 GLN 63 - HA PRO 32 lone 1 92 - 1 - HD3 ARG 55 - HB2 SER 12 lone 1 67 - 1 - HD3 LYS 22 - HB2 SER 12 lone 1 51 - 2 - HB3 GLN 63 - HB2 SER 12 lone 1 61 - 1 - HB3 GLU 67 - HB2 SER 12 lone 1 50 - 1 - Peak 1794 from cnoeabs.peaks (2.10, 4.38, 65.82 ppm; 4.31 A): 1 out of 1 assignment used, quality = 1.00: * HG3 PRO 32 + HA PRO 32 OK 100 100 - 100 - 3.8=100 Peak 1795 from cnoeabs.peaks (3.91, 4.38, 65.82 ppm; 3.42 A): 1 out of 10 assignments used, quality = 0.93: * HD2 PRO 32 + HA PRO 32 OK 93 100 - 93 - 3.6=86, 2.3/1811=24...(5) HA THR 46 - HA PRO 32 lone 7 98 - 7 - 2.9/3727=2, 131/3.5=2 HA LYS 27 - HA PRO 32 lone 2 97 - 2 - HA GLN 53 - HA PRO 32 lone 1 71 - 2 - HD2 PRO 32 - HB2 SER 12 lone 1 73 - 2 - HB2 SER 65 - HA PRO 32 lone 1 87 - 1 - HA THR 46 - HB2 SER 12 lone 1 68 - 1 - HA LYS 27 - HB2 SER 12 lone 0 67 - 1 - HB2 SER 65 - HB2 SER 12 lone 0 57 - 1 - HA GLN 53 - HB2 SER 12 lone 0 44 - 1 - Peak 1796 from cnoeabs.peaks (3.80, 4.38, 65.82 ppm; 4.60 A): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 32 + HA PRO 32 OK 100 100 - 100 - 3.6=100 Peak 1797 from cnoeabs.peaks (4.38, 1.80, 30.88 ppm; 3.71 A): 1 out of 1 assignment used, quality = 1.00: * HA PRO 32 + HB2 PRO 32 OK 100 100 - 100 - 2.3=100 Peak 1798 from cnoeabs.peaks (1.80, 1.80, 30.88 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HB2 PRO 32 + HB2 PRO 32 OK 100 100 - 100 HB2 ARG 61 - HB2 ARG 61 OK 38 38 - 100 Peak 1799 from cnoeabs.peaks (2.31, 1.80, 30.88 ppm; 2.75 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PRO 32 + HB2 PRO 32 OK 100 100 - 100 - 1.8=100 Peak 1800 from cnoeabs.peaks (1.98, 1.80, 30.88 ppm; 3.38 A): 1 out of 1 assignment used, quality = 1.00: * HG2 PRO 32 + HB2 PRO 32 OK 100 100 - 100 - 2.3=100 Peak 1801 from cnoeabs.peaks (2.10, 1.80, 30.88 ppm; 3.64 A): 1 out of 1 assignment used, quality = 1.00: * HG3 PRO 32 + HB2 PRO 32 OK 100 100 - 100 - 2.3=100 Peak 1802 from cnoeabs.peaks (3.91, 1.80, 30.88 ppm; 4.44 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 32 + HB2 PRO 32 OK 100 100 - 100 - 3.0=100 Peak 1803 from cnoeabs.peaks (3.80, 1.80, 30.88 ppm; 4.81 A): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 32 + HB2 PRO 32 OK 100 100 - 100 - 3.0=100 Peak 1804 from cnoeabs.peaks (4.38, 2.31, 30.88 ppm; 3.38 A): 1 out of 1 assignment used, quality = 1.00: * HA PRO 32 + HB3 PRO 32 OK 100 100 - 100 - 2.3=100 Peak 1805 from cnoeabs.peaks (1.80, 2.31, 30.88 ppm; 2.77 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 32 + HB3 PRO 32 OK 100 100 - 100 - 1.8=100 Peak 1806 from cnoeabs.peaks (2.31, 2.31, 30.88 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 PRO 32 + HB3 PRO 32 OK 100 100 - 100 HB3 GLU 33 + HB3 GLU 33 OK 90 90 - 100 Peak 1807 from cnoeabs.peaks (1.98, 2.31, 30.88 ppm; 3.48 A): 1 out of 1 assignment used, quality = 1.00: * HG2 PRO 32 + HB3 PRO 32 OK 100 100 - 100 - 2.3=100 Peak 1808 from cnoeabs.peaks (2.10, 2.31, 30.88 ppm; 3.56 A): 1 out of 1 assignment used, quality = 1.00: * HG3 PRO 32 + HB3 PRO 32 OK 100 100 - 100 - 2.3=100 Peak 1809 from cnoeabs.peaks (3.91, 2.31, 30.88 ppm; 4.79 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 32 + HB3 PRO 32 OK 100 100 - 100 - 3.0=100 Peak 1810 from cnoeabs.peaks (3.80, 2.31, 30.88 ppm; 4.64 A): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 32 + HB3 PRO 32 OK 100 100 - 100 - 3.0=100 Peak 1811 from cnoeabs.peaks (4.38, 1.98, 28.38 ppm; 3.84 A): 1 out of 7 assignments used, quality = 0.99: * HA PRO 32 + HG2 PRO 32 OK 99 100 - 99 - 3.8=99, 1795/2.3=33...(4) HB2 SER 12 - HG2 PRO 32 lone 3 99 - 3 - HA HIS 13 - HG2 PRO 32 lone 3 99 - 3 - HA LEU 68 - HG2 PRO 32 lone 2 87 - 3 - HA LEU 64 - HG2 PRO 32 lone 2 99 - 2 - HA ASN 40 - HG2 PRO 32 lone 1 98 - 1 - HA ASN 54 - HG2 PRO 32 lone 1 68 - 2 - Peak 1812 from cnoeabs.peaks (1.80, 1.98, 28.38 ppm; 3.16 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 32 + HG2 PRO 32 OK 100 100 - 100 - 2.3=100 Peak 1813 from cnoeabs.peaks (2.31, 1.98, 28.38 ppm; 3.33 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PRO 32 + HG2 PRO 32 OK 100 100 - 100 - 2.3=100 Peak 1814 from cnoeabs.peaks (1.98, 1.98, 28.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 PRO 32 + HG2 PRO 32 OK 100 100 - 100 Peak 1815 from cnoeabs.peaks (2.10, 1.98, 28.38 ppm; 2.44 A): 1 out of 1 assignment used, quality = 1.00: * HG3 PRO 32 + HG2 PRO 32 OK 100 100 - 100 - 1.8=100 Peak 1816 from cnoeabs.peaks (3.91, 1.98, 28.38 ppm; 3.79 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 32 + HG2 PRO 32 OK 100 100 - 100 - 2.3=100 Peak 1817 from cnoeabs.peaks (3.80, 1.98, 28.38 ppm; 3.61 A): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 32 + HG2 PRO 32 OK 100 100 - 100 - 2.3=100 Peak 1818 from cnoeabs.peaks (4.38, 2.10, 28.38 ppm; 4.11 A): 1 out of 1 assignment used, quality = 1.00: * HA PRO 32 + HG3 PRO 32 OK 100 100 - 100 - 3.8=100 Peak 1819 from cnoeabs.peaks (1.80, 2.10, 28.38 ppm; 3.23 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PRO 32 + HG3 PRO 32 OK 100 100 - 100 - 2.3=100 Peak 1820 from cnoeabs.peaks (2.31, 2.10, 28.38 ppm; 3.31 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PRO 32 + HG3 PRO 32 OK 100 100 - 100 - 2.3=100 Peak 1821 from cnoeabs.peaks (1.98, 2.10, 28.38 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HG2 PRO 32 + HG3 PRO 32 OK 100 100 - 100 - 1.8=100 Peak 1822 from cnoeabs.peaks (2.10, 2.10, 28.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 PRO 32 + HG3 PRO 32 OK 100 100 - 100 Peak 1823 from cnoeabs.peaks (3.91, 2.10, 28.38 ppm; 3.57 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 32 + HG3 PRO 32 OK 100 100 - 100 - 2.3=100 Peak 1824 from cnoeabs.peaks (3.80, 2.10, 28.38 ppm; 3.59 A): 1 out of 1 assignment used, quality = 1.00: * HD3 PRO 32 + HG3 PRO 32 OK 100 100 - 100 - 2.3=100 Peak 1825 from cnoeabs.peaks (7.21, 4.07, 58.90 ppm; 3.78 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 33 + HA GLU 33 OK 100 100 - 100 - 3.0=100 Peak 1826 from cnoeabs.peaks (4.07, 4.07, 58.90 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA GLU 33 + HA GLU 33 OK 100 100 - 100 HA LYS 39 + HA LYS 39 OK 82 82 - 100 Peak 1827 from cnoeabs.peaks (1.88, 4.07, 58.90 ppm; 2.99 A): 1 out of 12 assignments used, quality = 0.99: * HB2 GLU 33 + HA GLU 33 OK 99 100 - 99 - 3.0=98, 3.0/1830=18...(12) HB3 ARG 34 - HA GLU 33 OK 15 73 - 21 - 1871/3.6=9, 4.3/3731=4...(6) HB2 LYS 42 - HA LYS 39 OK 14 85 - 17 - 4.0/4893=6, 4407/5.0=4...(6) HG LEU 41 - HA LYS 39 poor 10 74 - 14 - 4407/5.0=3, 5.2/3737=3...(5) HB2 LYS 42 - HA GLU 33 lone 6 99 - 6 - 4.0/4893=2 HB3 LYS 49 - HA LYS 39 lone 6 87 - 6 - HG LEU 41 - HA GLU 33 lone 5 90 - 5 - HB2 GLU 33 - HA LYS 39 lone 5 88 - 5 - 4407/5.0=1 HB3 LYS 49 - HA GLU 33 lone 4 100 - 4 - 135/3.6=2 HG2 ARG 21 - HA GLU 33 lone 4 73 - 5 - HB3 ARG 34 - HA LYS 39 lone 3 58 - 5 - 4.3/3731=2 HG2 ARG 21 - HA LYS 39 lone 2 58 - 4 - Peak 1828 from cnoeabs.peaks (2.32, 4.07, 58.90 ppm; 3.25 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 33 + HA GLU 33 OK 100 100 - 100 - 3.0=100 Peak 1829 from cnoeabs.peaks (2.32, 4.07, 58.90 ppm; 3.25 A): 1 out of 1 assignment used, quality = 0.99: HB3 GLU 33 + HA GLU 33 OK 99 99 - 100 - 3.0=100 Reference assignment not found: HG2 GLU 33 - HA GLU 33 Peak 1830 from cnoeabs.peaks (2.23, 4.07, 58.90 ppm; 3.33 A): 1 out of 6 assignments used, quality = 0.87: * HG3 GLU 33 + HA GLU 33 OK 87 100 - 87 - 4.0=57, 1.8/1844=23...(11) HG3 GLU 67 - HA GLU 33 lone 5 96 - 5 - 621/3.0=2 HG3 GLU 33 - HA LYS 39 lone 4 88 - 4 - 1850=1, 1.8/1844=1 HB3 GLN 53 - HA GLU 33 lone 3 92 - 3 - 138/3.6=2, 621/3.0=1 HB3 GLN 53 - HA LYS 39 lone 1 76 - 2 - HG3 GLU 67 - HA LYS 39 lone 0 80 - 1 - Peak 1831 from cnoeabs.peaks (7.21, 1.88, 30.88 ppm; 4.18 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 33 + HB2 GLU 33 OK 100 100 - 100 - 4.0=100 Peak 1832 from cnoeabs.peaks (4.07, 1.88, 30.88 ppm; 3.72 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 33 + HB2 GLU 33 OK 100 100 - 100 - 3.0=100 Peak 1833 from cnoeabs.peaks (1.88, 1.88, 30.88 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 33 + HB2 GLU 33 OK 100 100 - 100 Peak 1834 from cnoeabs.peaks (2.32, 1.88, 30.88 ppm; 2.86 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 33 + HB2 GLU 33 OK 100 100 - 100 - 1.8=100 Peak 1835 from cnoeabs.peaks (2.32, 1.88, 30.88 ppm; 2.86 A): 1 out of 1 assignment used, quality = 0.99: HB3 GLU 33 + HB2 GLU 33 OK 99 99 - 100 - 1.8=100 Reference assignment not found: HG2 GLU 33 - HB2 GLU 33 Peak 1836 from cnoeabs.peaks (2.23, 1.88, 30.88 ppm; 3.45 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 33 + HB2 GLU 33 OK 100 100 - 100 - 3.0=100 Peak 1837 from cnoeabs.peaks (7.21, 2.32, 30.88 ppm; 3.87 A): 1 out of 1 assignment used, quality = 0.94: H GLU 33 + HB3 PRO 32 OK 94 94 - 100 - 3.6=100 Reference assignment not found: H GLU 33 - HB3 GLU 33 Peak 1838 from cnoeabs.peaks (4.07, 2.32, 30.88 ppm; 4.06 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 33 + HB3 GLU 33 OK 100 100 - 100 - 3.0=100 Peak 1839 from cnoeabs.peaks (1.88, 2.32, 30.88 ppm; 3.02 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 33 + HB3 GLU 33 OK 100 100 - 100 - 1.8=100 Peak 1840 from cnoeabs.peaks (2.32, 2.32, 30.88 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 GLU 33 + HB3 GLU 33 OK 100 100 - 100 HB3 PRO 32 + HB3 PRO 32 OK 90 90 - 100 Peak 1841 from cnoeabs.peaks (2.32, 2.32, 30.88 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 GLU 33 + HB3 GLU 33 OK 99 99 - 100 HB3 PRO 32 + HB3 PRO 32 OK 82 82 - 100 Reference assignment not found: HG2 GLU 33 - HB3 GLU 33 Peak 1842 from cnoeabs.peaks (2.23, 2.32, 30.88 ppm; 3.39 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 33 + HB3 GLU 33 OK 100 100 - 100 - 3.0=100 Peak 1843 from cnoeabs.peaks (7.21, 2.32, 37.36 ppm; 4.00 A): 1 out of 1 assignment used, quality = 0.92: * H GLU 33 + HG2 GLU 33 OK 92 100 - 92 - 5.0=51, 1849/1.8=36...(11) Peak 1844 from cnoeabs.peaks (4.07, 2.32, 37.36 ppm; 3.78 A): 1 out of 8 assignments used, quality = 0.97: * HA GLU 33 + HG2 GLU 33 OK 97 100 - 97 - 4.0=83, 1830/1.8=37...(12) HA LEU 37 - HG2 GLU 33 lone 6 96 - 6 - 4241/4312=2, 1850/1.8=2 HA LYS 39 - HG2 GLU 33 lone 4 97 - 4 - 1850/1.8=2 HB THR 46 - HG2 GLU 33 lone 4 96 - 4 - 1850/1.8=1 HA ARG 21 - HG2 GLU 33 lone 3 100 - 3 - 1850/1.8=1 HA ARG 56 - HG2 GLU 33 lone 3 99 - 3 - HB THR 14 - HG2 GLU 33 lone 2 65 - 4 - HA SER 24 - HG2 GLU 33 lone 2 99 - 2 - Peak 1845 from cnoeabs.peaks (1.88, 2.32, 37.36 ppm; 3.61 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 33 + HG2 GLU 33 OK 100 100 - 100 - 3.0=100 Peak 1846 from cnoeabs.peaks (2.32, 2.32, 37.36 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: HG2 GLU 33 + HG2 GLU 33 OK 99 99 - 100 Reference assignment not found: HB3 GLU 33 - HG2 GLU 33 Peak 1847 from cnoeabs.peaks (2.32, 2.32, 37.36 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 33 + HG2 GLU 33 OK 100 100 - 100 Peak 1848 from cnoeabs.peaks (2.23, 2.32, 37.36 ppm; 2.64 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 33 + HG2 GLU 33 OK 100 100 - 100 - 1.8=100 Peak 1849 from cnoeabs.peaks (7.21, 2.23, 37.36 ppm; 4.13 A): 1 out of 1 assignment used, quality = 0.93: * H GLU 33 + HG3 GLU 33 OK 93 100 - 93 - 5.0=57, 1843/1.8=40...(9) Peak 1850 from cnoeabs.peaks (4.07, 2.23, 37.36 ppm; 3.79 A): 1 out of 8 assignments used, quality = 0.97: * HA GLU 33 + HG3 GLU 33 OK 97 100 - 97 - 4.0=84, 1844/1.8=30...(11) HA LEU 37 - HG3 GLU 33 lone 6 96 - 6 - 4241/4313=2, 1844/1.8=2 HA LYS 39 - HG3 GLU 33 lone 5 97 - 5 - 1830=2, 1844/1.8=1 HB THR 46 - HG3 GLU 33 lone 4 96 - 4 - 1844/1.8=1 HA ARG 21 - HG3 GLU 33 lone 3 100 - 3 - 1844/1.8=1 HA ARG 56 - HG3 GLU 33 lone 3 99 - 3 - HB THR 14 - HG3 GLU 33 lone 2 65 - 3 - HA SER 24 - HG3 GLU 33 lone 2 99 - 2 - Peak 1851 from cnoeabs.peaks (1.88, 2.23, 37.36 ppm; 3.63 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 33 + HG3 GLU 33 OK 100 100 - 100 - 3.0=100 Peak 1852 from cnoeabs.peaks (2.32, 2.23, 37.36 ppm; 2.71 A): 1 out of 1 assignment used, quality = 0.99: HG2 GLU 33 + HG3 GLU 33 OK 99 99 - 100 - 1.8=100 Reference assignment not found: HB3 GLU 33 - HG3 GLU 33 Peak 1853 from cnoeabs.peaks (2.32, 2.23, 37.36 ppm; 2.71 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 33 + HG3 GLU 33 OK 100 100 - 100 - 1.8=100 Peak 1854 from cnoeabs.peaks (2.23, 2.23, 37.36 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 33 + HG3 GLU 33 OK 100 100 - 100 Peak 1855 from cnoeabs.peaks (8.73, 3.79, 59.87 ppm; 3.89 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 34 + HA ARG 34 OK 100 100 - 100 - 2.9=100 Peak 1856 from cnoeabs.peaks (3.79, 3.79, 59.87 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ARG 34 + HA ARG 34 OK 100 100 - 100 Peak 1857 from cnoeabs.peaks (1.94, 3.79, 59.87 ppm; 3.77 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 34 + HA ARG 34 OK 100 100 - 100 - 3.0=100 Peak 1858 from cnoeabs.peaks (1.86, 3.79, 59.87 ppm; 3.78 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ARG 34 + HA ARG 34 OK 100 100 - 100 - 3.0=100 Peak 1859 from cnoeabs.peaks (1.34, 3.79, 59.87 ppm; 4.10 A): 1 out of 1 assignment used, quality = 1.00: * HG2 ARG 34 + HA ARG 34 OK 100 100 - 100 - 4.0=100 Peak 1860 from cnoeabs.peaks (1.59, 3.79, 59.87 ppm; 3.73 A): 2 out of 10 assignments used, quality = 0.97: * HG3 ARG 34 + HA ARG 34 OK 95 100 - 95 - 4.0=82, 3.0/1861=17...(16) HG LEU 37 + HA ARG 34 OK 43 68 - 63 - 3.0/3740=19, 3.0/3742=18...(12) HB3 LEU 43 - HA ARG 34 OK 39 89 - 45 - 1.8/4317=20, 3.0/4318=6...(11) QB ALA 31 - HA ARG 34 OK 38 63 - 60 - ~3720=13, ~3721=10...(12) HG2 LYS 49 - HA ARG 34 lone 8 92 - 9 - 627/2.9=1, ~135=1 HG3 ARG 21 - HA ARG 34 lone 6 87 - 7 - 144/3.6=2 HG3 ARG 61 - HA ARG 34 lone 4 98 - 4 - HG2 ARG 61 - HA ARG 34 lone 4 97 - 4 - HB3 LYS 27 - HA ARG 34 lone 3 68 - 4 - 3.8/4317=1 HG LEU 68 - HA ARG 34 lone 1 60 - 1 - Peak 1861 from cnoeabs.peaks (3.54, 3.79, 59.87 ppm; 5.08 A): 1 out of 2 assignments used, quality = 0.95: * HD2 ARG 34 + HA ARG 34 OK 95 100 - 95 - 5.3=87, 1.8/1904=32...(7) HB3 PHE 52 - HA ARG 34 lone 2 93 - 2 - Peak 1863 from cnoeabs.peaks (8.73, 1.94, 29.95 ppm; 3.61 A): 1 out of 1 assignment used, quality = 0.94: * H ARG 34 + HB2 ARG 34 OK 94 100 - 94 - 3.9=80, 1871/1.8=34...(14) Peak 1864 from cnoeabs.peaks (3.79, 1.94, 29.95 ppm; 3.85 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 34 + HB2 ARG 34 OK 100 100 - 100 - 3.0=100 Peak 1865 from cnoeabs.peaks (1.94, 1.94, 29.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 34 + HB2 ARG 34 OK 100 100 - 100 Peak 1866 from cnoeabs.peaks (1.86, 1.94, 29.95 ppm; 2.81 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ARG 34 + HB2 ARG 34 OK 100 100 - 100 - 1.8=100 Peak 1867 from cnoeabs.peaks (1.34, 1.94, 29.95 ppm; 4.32 A): 1 out of 1 assignment used, quality = 1.00: * HG2 ARG 34 + HB2 ARG 34 OK 100 100 - 100 - 3.0=100 Peak 1868 from cnoeabs.peaks (1.59, 1.94, 29.95 ppm; 3.76 A): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 34 + HB2 ARG 34 OK 100 100 - 100 - 3.0=100 Peak 1869 from cnoeabs.peaks (3.54, 1.94, 29.95 ppm; 4.89 A): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 34 + HB2 ARG 34 OK 100 100 - 100 - 3.6=100 Peak 1870 from cnoeabs.peaks (3.27, 1.94, 29.95 ppm; 4.17 A): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 34 + HB2 ARG 34 OK 100 100 - 100 - 3.6=100 Peak 1871 from cnoeabs.peaks (8.73, 1.86, 29.95 ppm; 3.76 A): 1 out of 1 assignment used, quality = 0.97: * H ARG 34 + HB3 ARG 34 OK 97 100 - 97 - 3.9=90, 1863/1.8=39...(13) Peak 1872 from cnoeabs.peaks (3.79, 1.86, 29.95 ppm; 3.87 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 34 + HB3 ARG 34 OK 100 100 - 100 - 3.0=100 Peak 1873 from cnoeabs.peaks (1.94, 1.86, 29.95 ppm; 2.75 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 34 + HB3 ARG 34 OK 100 100 - 100 - 1.8=100 Peak 1874 from cnoeabs.peaks (1.86, 1.86, 29.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ARG 34 + HB3 ARG 34 OK 100 100 - 100 Peak 1875 from cnoeabs.peaks (1.34, 1.86, 29.95 ppm; 4.28 A): 1 out of 1 assignment used, quality = 1.00: * HG2 ARG 34 + HB3 ARG 34 OK 100 100 - 100 - 3.0=100 Peak 1876 from cnoeabs.peaks (1.59, 1.86, 29.95 ppm; 3.98 A): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 34 + HB3 ARG 34 OK 100 100 - 100 - 3.0=100 Peak 1877 from cnoeabs.peaks (3.54, 1.86, 29.95 ppm; 4.82 A): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 34 + HB3 ARG 34 OK 100 100 - 100 - 3.6=100 Peak 1878 from cnoeabs.peaks (3.27, 1.86, 29.95 ppm; 4.76 A): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 34 + HB3 ARG 34 OK 100 100 - 100 - 3.6=100 Peak 1880 from cnoeabs.peaks (3.79, 1.34, 28.15 ppm; 4.39 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 34 + HG2 ARG 34 OK 100 100 - 100 - 4.0=100 Peak 1881 from cnoeabs.peaks (1.94, 1.34, 28.15 ppm; 4.12 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 34 + HG2 ARG 34 OK 100 100 - 100 - 3.0=100 Peak 1882 from cnoeabs.peaks (1.86, 1.34, 28.15 ppm; 4.37 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ARG 34 + HG2 ARG 34 OK 100 100 - 100 - 3.0=100 Peak 1883 from cnoeabs.peaks (1.34, 1.34, 28.15 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 ARG 34 + HG2 ARG 34 OK 100 100 - 100 HD3 LYS 27 + HD3 LYS 27 OK 53 53 - 100 Peak 1884 from cnoeabs.peaks (1.59, 1.34, 28.15 ppm; 3.10 A): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 34 + HG2 ARG 34 OK 100 100 - 100 - 1.8=100 Peak 1885 from cnoeabs.peaks (3.54, 1.34, 28.15 ppm; 4.13 A): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 34 + HG2 ARG 34 OK 100 100 - 100 - 3.0=100 Peak 1886 from cnoeabs.peaks (3.27, 1.34, 28.15 ppm; 4.09 A): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 34 + HG2 ARG 34 OK 100 100 - 100 - 3.0=100 Peak 1887 from cnoeabs.peaks (8.73, 1.59, 28.15 ppm; 5.02 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 34 + HG3 ARG 34 OK 100 100 - 100 - 4.9=100 Peak 1888 from cnoeabs.peaks (3.79, 1.59, 28.15 ppm; 4.19 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 34 + HG3 ARG 34 OK 100 100 - 100 - 4.0=100 Peak 1889 from cnoeabs.peaks (1.94, 1.59, 28.15 ppm; 4.06 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 34 + HG3 ARG 34 OK 100 100 - 100 - 3.0=100 Peak 1890 from cnoeabs.peaks (1.86, 1.59, 28.15 ppm; 3.77 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ARG 34 + HG3 ARG 34 OK 100 100 - 100 - 3.0=100 Peak 1891 from cnoeabs.peaks (1.34, 1.59, 28.15 ppm; 3.10 A): 1 out of 1 assignment used, quality = 1.00: * HG2 ARG 34 + HG3 ARG 34 OK 100 100 - 100 - 1.8=100 Peak 1892 from cnoeabs.peaks (1.59, 1.59, 28.15 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 34 + HG3 ARG 34 OK 100 100 - 100 Peak 1893 from cnoeabs.peaks (3.54, 1.59, 28.15 ppm; 4.18 A): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 34 + HG3 ARG 34 OK 100 100 - 100 - 3.0=100 Peak 1894 from cnoeabs.peaks (3.27, 1.59, 28.15 ppm; 4.08 A): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 34 + HG3 ARG 34 OK 100 100 - 100 - 3.0=100 Peak 1896 from cnoeabs.peaks (3.79, 3.54, 43.10 ppm; 5.24 A): 1 out of 5 assignments used, quality = 0.98: * HA ARG 34 + HD2 ARG 34 OK 98 100 - 98 - 5.3=96, 1904/1.8=34...(7) HA ILE 50 - HD2 ARG 34 poor 9 90 - 10 - 1904/1.8=3, 3804/4338=2 HA THR 14 - HD2 ARG 34 lone 7 76 - 10 - 1904/1.8=3, 4005/3.0=2...(4) HD3 PRO 32 - HD2 ARG 34 lone 7 97 - 7 - 1904/1.8=2 HA GLN 15 - HD2 ARG 34 lone 5 100 - 5 - 1904/1.8=2 Peak 1897 from cnoeabs.peaks (1.94, 3.54, 43.10 ppm; 4.27 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 34 + HD2 ARG 34 OK 100 100 - 100 - 3.6=100 Peak 1898 from cnoeabs.peaks (1.86, 3.54, 43.10 ppm; 4.21 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ARG 34 + HD2 ARG 34 OK 100 100 - 100 - 3.6=100 Peak 1899 from cnoeabs.peaks (1.34, 3.54, 43.10 ppm; 3.85 A): 1 out of 1 assignment used, quality = 1.00: * HG2 ARG 34 + HD2 ARG 34 OK 100 100 - 100 - 3.0=100 Peak 1900 from cnoeabs.peaks (1.59, 3.54, 43.10 ppm; 3.79 A): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 34 + HD2 ARG 34 OK 100 100 - 100 - 3.0=100 Peak 1901 from cnoeabs.peaks (3.54, 3.54, 43.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 34 + HD2 ARG 34 OK 100 100 - 100 Peak 1902 from cnoeabs.peaks (3.27, 3.54, 43.10 ppm; 2.88 A): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 34 + HD2 ARG 34 OK 100 100 - 100 - 1.8=100 Peak 1904 from cnoeabs.peaks (3.79, 3.27, 43.10 ppm; 4.98 A): 1 out of 5 assignments used, quality = 0.93: * HA ARG 34 + HD3 ARG 34 OK 93 100 - 93 - 5.3=82, 1861/1.8=38...(7) HA ILE 50 - HD3 ARG 34 poor 9 90 - 10 - 1896/1.8=3, 3.6/735=2...(4) HA THR 14 - HD3 ARG 34 lone 7 76 - 9 - 1896/1.8=2, 3.0/13=2...(4) HD3 PRO 32 - HD3 ARG 34 lone 6 97 - 6 - 1896/1.8=2 HA GLN 15 - HD3 ARG 34 lone 4 100 - 4 - 1896/1.8=1 Peak 1905 from cnoeabs.peaks (1.94, 3.27, 43.10 ppm; 3.96 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 34 + HD3 ARG 34 OK 100 100 - 100 - 3.6=100 Peak 1906 from cnoeabs.peaks (1.86, 3.27, 43.10 ppm; 3.93 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ARG 34 + HD3 ARG 34 OK 100 100 - 100 - 3.6=100 Peak 1907 from cnoeabs.peaks (1.34, 3.27, 43.10 ppm; 3.75 A): 1 out of 1 assignment used, quality = 1.00: * HG2 ARG 34 + HD3 ARG 34 OK 100 100 - 100 - 3.0=100 Peak 1908 from cnoeabs.peaks (1.59, 3.27, 43.10 ppm; 3.66 A): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 34 + HD3 ARG 34 OK 100 100 - 100 - 3.0=100 Peak 1909 from cnoeabs.peaks (3.54, 3.27, 43.10 ppm; 2.85 A): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 34 + HD3 ARG 34 OK 100 100 - 100 - 1.8=100 Peak 1910 from cnoeabs.peaks (3.27, 3.27, 43.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 34 + HD3 ARG 34 OK 100 100 - 100 Peak 1911 from cnoeabs.peaks (8.15, 3.98, 55.19 ppm; 3.40 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 35 + HA ALA 35 OK 100 100 - 100 - 3.0=100 Peak 1912 from cnoeabs.peaks (3.98, 3.98, 55.19 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 35 + HA ALA 35 OK 100 100 - 100 Peak 1913 from cnoeabs.peaks (1.49, 3.98, 55.19 ppm; 2.79 A): 1 out of 1 assignment used, quality = 1.00: * QB ALA 35 + HA ALA 35 OK 100 100 - 100 - 2.1=100 Peak 1914 from cnoeabs.peaks (8.15, 1.49, 17.89 ppm; 2.78 A): 1 out of 5 assignments used, quality = 0.90: * H ALA 35 + QB ALA 35 OK 90 100 - 90 - 2.9=85, 147/3.7=10...(6) H THR 46 - QB ALA 35 lone 9 98 - 9 - 4.6/4362=2, 4.6/4362=2...(4) H LEU 68 - QB ALA 35 lone 3 98 - 3 - H SER 24 - QB ALA 35 lone 2 73 - 2 - H ARG 61 - QB ALA 35 lone 1 81 - 1 - Peak 1915 from cnoeabs.peaks (3.98, 1.49, 17.89 ppm; 2.76 A): 1 out of 1 assignment used, quality = 1.00: * HA ALA 35 + QB ALA 35 OK 100 100 - 100 - 2.1=100 Peak 1916 from cnoeabs.peaks (1.49, 1.49, 17.89 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 35 + QB ALA 35 OK 100 100 - 100 Peak 1917 from cnoeabs.peaks (7.99, 4.32, 59.41 ppm; 3.72 A): 1 out of 1 assignment used, quality = 1.00: * H HIS 36 + HA HIS 36 OK 100 100 - 100 - 3.0=100 Peak 1918 from cnoeabs.peaks (4.32, 4.32, 59.41 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA HIS 36 + HA HIS 36 OK 100 100 - 100 Peak 1919 from cnoeabs.peaks (3.19, 4.32, 59.41 ppm; 3.15 A): 2 out of 2 assignments used, quality = 1.00: HB3 HIS 36 + HA HIS 36 OK 100 100 - 100 - 3.0=100 * HB2 HIS 36 + HA HIS 36 OK 100 100 - 100 - 3.0=100 Peak 1920 from cnoeabs.peaks (3.19, 4.32, 59.41 ppm; 3.15 A): 2 out of 2 assignments used, quality = 1.00: * HB3 HIS 36 + HA HIS 36 OK 100 100 - 100 - 3.0=100 HB2 HIS 36 + HA HIS 36 OK 100 100 - 100 - 3.0=100 Peak 1921 from cnoeabs.peaks (7.05, 4.32, 59.41 ppm; 4.96 A): 1 out of 1 assignment used, quality = 1.00: * HD2 HIS 36 + HA HIS 36 OK 100 100 - 100 - 4.8=100 Peak 1922 from cnoeabs.peaks (7.99, 3.19, 30.63 ppm; 3.04 A): 2 out of 15 assignments used, quality = 0.87: * H HIS 36 + HB2 HIS 36 OK 64 100 - 64 - 4.0=44, 635/1.8=17...(7) H HIS 36 + HB3 HIS 36 OK 64 100 - 64 - 4.0=44, 635/1.8=17...(7) H ASN 40 - HB2 HIS 36 poor 8 63 - 14 - 3.6/3733=5, 150/4.6=3 H ASN 40 - HB3 HIS 36 poor 8 63 - 14 - 3.6/3733=5, 150/4.6=3 H ILE 17 - HB3 HIS 36 lone 3 83 - 3 - H ILE 17 - HB2 HIS 36 lone 3 83 - 3 - H LEU 19 - HB2 HIS 36 lone 2 99 - 2 - H LEU 19 - HB3 HIS 36 lone 2 99 - 2 - H HIS 36 - HB2 HIS 10 lone 1 81 - 2 - H LYS 60 - HB2 HIS 36 lone 1 99 - 1 - H LYS 60 - HB3 HIS 36 lone 1 99 - 1 - H LEU 19 - HB2 HIS 10 lone 1 79 - 1 - H ILE 17 - HB2 HIS 10 lone 0 60 - 1 - H LYS 60 - HB2 HIS 10 lone 0 78 - 0 - H ASN 40 - HB2 HIS 10 lone 0 44 - 1 - Peak 1923 from cnoeabs.peaks (4.32, 3.19, 30.63 ppm; 3.27 A): 2 out of 2 assignments used, quality = 1.00: HA HIS 36 + HB3 HIS 36 OK 100 100 - 100 - 3.0=100 * HA HIS 36 + HB2 HIS 36 OK 100 100 - 100 - 3.0=100 Peak 1924 from cnoeabs.peaks (3.19, 3.19, 30.63 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB3 HIS 36 + HB3 HIS 36 OK 100 100 - 100 * HB2 HIS 36 + HB2 HIS 36 OK 100 100 - 100 HB2 HIS 10 + HB2 HIS 10 OK 70 70 - 100 Peak 1925 from cnoeabs.peaks (3.19, 3.19, 30.63 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB3 HIS 36 + HB3 HIS 36 OK 100 100 - 100 HB2 HIS 36 + HB2 HIS 36 OK 100 100 - 100 HB2 HIS 10 + HB2 HIS 10 OK 72 72 - 100 Reference assignment not found: HB3 HIS 36 - HB2 HIS 36 Peak 1926 from cnoeabs.peaks (7.05, 3.19, 30.63 ppm; 4.13 A): 3 out of 3 assignments used, quality = 1.00: HD2 HIS 36 + HB3 HIS 36 OK 100 100 - 100 - 4.0=100 * HD2 HIS 36 + HB2 HIS 36 OK 100 100 - 100 - 4.0=100 HD2 HIS 10 + HB2 HIS 10 OK 64 64 - 100 - 3.9=100 Peak 1927 from cnoeabs.peaks (7.99, 3.19, 30.63 ppm; 3.04 A): 2 out of 15 assignments used, quality = 0.87: H HIS 36 + HB2 HIS 36 OK 64 100 - 64 - 4.0=44, 635/1.8=17...(7) * H HIS 36 + HB3 HIS 36 OK 64 100 - 64 - 4.0=44, 635/1.8=17...(7) H ASN 40 - HB2 HIS 36 poor 8 63 - 14 - 3.6/3733=5, 150/4.6=3 H ASN 40 - HB3 HIS 36 poor 8 63 - 14 - 3.6/3733=5, 150/4.6=3 H ILE 17 - HB3 HIS 36 lone 3 83 - 3 - H ILE 17 - HB2 HIS 36 lone 3 83 - 3 - H LEU 19 - HB2 HIS 36 lone 2 99 - 2 - H LEU 19 - HB3 HIS 36 lone 2 99 - 2 - H HIS 36 - HB2 HIS 10 lone 2 84 - 2 - H LYS 60 - HB2 HIS 36 lone 1 99 - 1 - H LYS 60 - HB3 HIS 36 lone 1 99 - 1 - H LEU 19 - HB2 HIS 10 lone 1 82 - 1 - H ILE 17 - HB2 HIS 10 lone 0 63 - 1 - H LYS 60 - HB2 HIS 10 lone 0 81 - 0 - H ASN 40 - HB2 HIS 10 lone 0 46 - 1 - Peak 1928 from cnoeabs.peaks (4.32, 3.19, 30.63 ppm; 3.27 A): 2 out of 2 assignments used, quality = 1.00: * HA HIS 36 + HB3 HIS 36 OK 100 100 - 100 - 3.0=100 HA HIS 36 + HB2 HIS 36 OK 100 100 - 100 - 3.0=100 Peak 1929 from cnoeabs.peaks (3.19, 3.19, 30.63 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB3 HIS 36 + HB3 HIS 36 OK 100 100 - 100 HB2 HIS 36 + HB2 HIS 36 OK 100 100 - 100 HB2 HIS 10 + HB2 HIS 10 OK 73 73 - 100 Reference assignment not found: HB2 HIS 36 - HB3 HIS 36 Peak 1930 from cnoeabs.peaks (3.19, 3.19, 30.63 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 HIS 36 + HB3 HIS 36 OK 100 100 - 100 HB2 HIS 36 + HB2 HIS 36 OK 100 100 - 100 HB2 HIS 10 + HB2 HIS 10 OK 75 75 - 100 Peak 1931 from cnoeabs.peaks (7.05, 3.19, 30.63 ppm; 4.13 A): 3 out of 3 assignments used, quality = 1.00: * HD2 HIS 36 + HB3 HIS 36 OK 100 100 - 100 - 4.0=100 HD2 HIS 36 + HB2 HIS 36 OK 100 100 - 100 - 4.0=100 HD2 HIS 10 + HB2 HIS 10 OK 67 67 - 100 - 3.9=100 Peak 1934 from cnoeabs.peaks (3.19, 7.05, 119.84 ppm; 4.50 A): 2 out of 3 assignments used, quality = 1.00: HB3 HIS 36 + HD2 HIS 36 OK 98 98 - 100 - 4.0=100 * HB2 HIS 36 + HD2 HIS 36 OK 98 98 - 100 - 4.0=100 HB2 HIS 10 - HD2 HIS 10 OK 41 41 - 100 - 3.9=100 Peak 1935 from cnoeabs.peaks (3.19, 7.05, 119.84 ppm; 4.50 A): 2 out of 3 assignments used, quality = 1.00: * HB3 HIS 36 + HD2 HIS 36 OK 98 98 - 100 - 4.0=100 HB2 HIS 36 + HD2 HIS 36 OK 98 98 - 100 - 4.0=100 HB2 HIS 10 - HD2 HIS 10 OK 41 41 - 100 - 3.9=100 Peak 1936 from cnoeabs.peaks (7.05, 7.05, 119.84 ppm; diagonal): 1 out of 2 assignments used, quality = 0.98: * HD2 HIS 36 + HD2 HIS 36 OK 98 98 - 100 HD2 HIS 10 - HD2 HIS 10 OK 36 36 - 100 Peak 1937 from cnoeabs.peaks (8.07, 4.06, 57.84 ppm; 3.39 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 37 + HA LEU 37 OK 100 100 - 100 - 3.0=100 Peak 1938 from cnoeabs.peaks (4.06, 4.06, 57.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 37 + HA LEU 37 OK 100 100 - 100 Peak 1939 from cnoeabs.peaks (1.66, 4.06, 57.84 ppm; 3.29 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 37 + HA LEU 37 OK 100 100 - 100 - 3.0=100 Peak 1940 from cnoeabs.peaks (1.73, 4.06, 57.84 ppm; 3.53 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 37 + HA LEU 37 OK 100 100 - 100 - 3.0=100 Peak 1941 from cnoeabs.peaks (1.56, 4.06, 57.84 ppm; 3.83 A): 1 out of 8 assignments used, quality = 0.97: * HG LEU 37 + HA LEU 37 OK 97 100 - 97 - 4.3=73, 2.1/1943=36...(17) HG3 LYS 39 - HA LEU 37 OK 27 92 - 30 - 5.0/3758=10, 4.9/3757=6...(5) HG3 ARG 34 - HA LEU 37 OK 12 68 - 18 - 3.0/4390=6, ~4389=4...(5) HD2 LYS 58 - HA LEU 37 lone 7 83 - 9 - 159/3.6=2, 642/3.0=1, 6.2/3757=1 HD3 LYS 58 - HA LEU 37 lone 7 83 - 9 - 159/3.6=2, 642/3.0=1, 6.2/3757=1 HG2 LYS 49 - HA LEU 37 lone 6 96 - 6 - 642/3.0=1, 3.0/4390=1, 159/3.6=1 QB ALA 31 - HA LEU 37 lone 5 100 - 5 - 642/3.0=2, 159/3.6=1 HB3 LYS 27 - HA LEU 37 lone 4 100 - 4 - Peak 1942 from cnoeabs.peaks (0.92, 4.06, 57.84 ppm; 3.49 A): 1 out of 3 assignments used, quality = 0.95: * QD2 LEU 37 + HA LEU 37 OK 95 100 - 96 - 3.8=75, 2.1/1943=32...(15) QG2 ILE 50 - HA LEU 37 OK 16 100 - 16 - 160/3.6=4, 643/3.0=4...(6) QD1 LEU 64 - HA LEU 37 lone 6 96 - 6 - 643/3.0=2, 160/3.6=2 Peak 1943 from cnoeabs.peaks (0.96, 4.06, 57.84 ppm; 3.00 A): 2 out of 2 assignments used, quality = 0.88: * QD1 LEU 37 + HA LEU 37 OK 85 100 - 85 - 3.8=48, 2.1/1942=20...(20) QG2 VAL 48 + HA LEU 37 OK 20 96 - 20 - 161/3.6=5, 644/3.0=4...(7) Peak 1944 from cnoeabs.peaks (8.07, 1.66, 42.65 ppm; 3.39 A): 2 out of 8 assignments used, quality = 0.93: * H LEU 37 + HB2 LEU 37 OK 90 100 - 90 - 4.0=60, 641/1.8=29...(13) H LEU 41 + HB2 LEU 37 OK 32 97 - 33 - 4465/3.1=9, 1951/1.8=8...(7) H GLN 47 - HB2 LEU 37 OK 25 92 - 27 - 4539/3.1=6, 1951/1.8=5...(7) H ARG 55 - HB2 LEU 37 OK 11 99 - 10 - 1951/1.8=3, 1965/3.1=2...(5) H LEU 37 - HB2 LEU 64 lone 8 82 - 9 - 640=3, 643/3.1=2...(4) H LEU 41 - HB2 LEU 64 lone 3 76 - 4 - 666/1.8=1 H GLN 47 - HB2 LEU 64 lone 2 70 - 2 - H ARG 55 - HB2 LEU 64 lone 1 78 - 1 - Peak 1945 from cnoeabs.peaks (4.06, 1.66, 42.65 ppm; 3.48 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 37 + HB2 LEU 37 OK 100 100 - 100 - 3.0=100 Peak 1946 from cnoeabs.peaks (1.66, 1.66, 42.65 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 LEU 37 + HB2 LEU 37 OK 100 100 - 100 HB2 LEU 64 + HB2 LEU 64 OK 81 81 - 100 Peak 1947 from cnoeabs.peaks (1.73, 1.66, 42.65 ppm; 2.73 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 37 + HB2 LEU 37 OK 100 100 - 100 - 1.8=100 Peak 1948 from cnoeabs.peaks (1.56, 1.66, 42.65 ppm; 3.26 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 37 + HB2 LEU 37 OK 100 100 - 100 - 3.0=100 Peak 1949 from cnoeabs.peaks (0.92, 1.66, 42.65 ppm; 3.11 A): 2 out of 6 assignments used, quality = 1.00: * QD2 LEU 37 + HB2 LEU 37 OK 99 100 - 99 - 3.1=98, 1942/3.0=17...(12) QD1 LEU 64 + HB2 LEU 64 OK 72 74 - 98 - 3.1=97, 4.7/836=8...(7) QG2 ILE 50 - HB2 LEU 37 OK 17 100 - 17 - 1942/3.0=3, 160/4.4=2...(7) QD1 LEU 64 - HB2 LEU 37 lone 4 96 - 4 - 1942/3.0=1, 643/4.0=1, 160/4.4=1 QD2 LEU 37 - HB2 LEU 64 lone 3 82 - 3 - QG2 ILE 50 - HB2 LEU 64 lone 1 81 - 1 - Peak 1950 from cnoeabs.peaks (0.96, 1.66, 42.65 ppm; 3.48 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 37 + HB2 LEU 37 OK 100 100 - 100 - 3.1=100 Peak 1951 from cnoeabs.peaks (8.07, 1.73, 42.65 ppm; 3.42 A): 2 out of 4 assignments used, quality = 0.94: * H LEU 37 + HB3 LEU 37 OK 90 100 - 90 - 4.0=61, 640/1.8=27...(13) H LEU 41 + HB3 LEU 37 OK 36 97 - 37 - 4465/3.1=9, 1944/1.8=7...(9) H GLN 47 - HB3 LEU 37 OK 25 92 - 27 - 4539/3.1=6, 1944/1.8=5...(7) H ARG 55 - HB3 LEU 37 OK 12 99 - 11 - 1944/1.8=2, 1965/3.1=2...(5) Peak 1952 from cnoeabs.peaks (4.06, 1.73, 42.65 ppm; 3.54 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 37 + HB3 LEU 37 OK 100 100 - 100 - 3.0=100 Peak 1953 from cnoeabs.peaks (1.66, 1.73, 42.65 ppm; 2.61 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 37 + HB3 LEU 37 OK 100 100 - 100 - 1.8=100 Peak 1954 from cnoeabs.peaks (1.73, 1.73, 42.65 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 37 + HB3 LEU 37 OK 100 100 - 100 Peak 1955 from cnoeabs.peaks (1.56, 1.73, 42.65 ppm; 3.27 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 37 + HB3 LEU 37 OK 100 100 - 100 - 3.0=100 Peak 1956 from cnoeabs.peaks (0.92, 1.73, 42.65 ppm; 3.33 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 37 + HB3 LEU 37 OK 100 100 - 100 - 3.1=100 Peak 1957 from cnoeabs.peaks (0.96, 1.73, 42.65 ppm; 3.48 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 37 + HB3 LEU 37 OK 100 100 - 100 - 3.1=100 Peak 1958 from cnoeabs.peaks (8.07, 1.56, 26.77 ppm; 4.47 A): 2 out of 4 assignments used, quality = 0.99: * H LEU 37 + HG LEU 37 OK 98 100 - 98 - 5.0=71, 644/2.1=32...(14) H LEU 41 + HG LEU 37 OK 59 97 - 61 - 4.8/4894=19, 4465/2.1=19...(9) H GLN 47 - HG LEU 37 OK 40 92 - 44 - 4539/2.1=12, 1965/2.1=8...(11) H ARG 55 - HG LEU 37 OK 17 99 - 17 - 1965/2.1=5, 1951/3.0=3...(5) Peak 1959 from cnoeabs.peaks (4.06, 1.56, 26.77 ppm; 4.25 A): 1 out of 8 assignments used, quality = 1.00: * HA LEU 37 + HG LEU 37 OK 100 100 - 100 - 4.3=100 HA LYS 39 - HG LEU 37 OK 26 76 - 35 - ~4416=10, 1973/2.1=7...(6) HB THR 46 - HG LEU 37 OK 12 100 - 12 - 4.5/1958=4, 1973/2.1=3...(4) HA GLU 33 - HG LEU 37 poor 9 95 - 10 - 3.6/627=3, 3737/5.0=2...(4) HB THR 14 - HG LEU 37 lone 7 93 - 8 - 4453/4894=2, ~4869=2, 1973/2.1=1 HA ARG 21 - HG LEU 37 lone 5 96 - 6 - 1973/2.1=2, 4453/4894=1 HA ARG 56 - HG LEU 37 lone 3 81 - 4 - HA SER 24 - HG LEU 37 lone 2 85 - 2 - Peak 1960 from cnoeabs.peaks (1.66, 1.56, 26.77 ppm; 2.99 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 37 + HG LEU 37 OK 100 100 - 100 - 3.0=100 Peak 1961 from cnoeabs.peaks (1.73, 1.56, 26.77 ppm; 3.13 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 37 + HG LEU 37 OK 100 100 - 100 - 3.0=100 Peak 1962 from cnoeabs.peaks (1.56, 1.56, 26.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 37 + HG LEU 37 OK 100 100 - 100 Peak 1963 from cnoeabs.peaks (0.92, 1.56, 26.77 ppm; 2.91 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 37 + HG LEU 37 OK 100 100 - 100 - 2.1=100 Peak 1964 from cnoeabs.peaks (0.96, 1.56, 26.77 ppm; 3.23 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 37 + HG LEU 37 OK 100 100 - 100 - 2.1=100 Peak 1965 from cnoeabs.peaks (8.07, 0.92, 27.31 ppm; 4.35 A): 3 out of 4 assignments used, quality = 1.00: * H LEU 37 + QD2 LEU 37 OK 99 100 - 99 - 4.5=91, 3.0/1942=32...(13) H LEU 41 + QD2 LEU 37 OK 56 97 - 58 - 4465/2.1=18, 1958/2.1=10...(10) H GLN 47 + QD2 LEU 37 OK 45 92 - 49 - 4539/2.1=12, 3.0/4543=10...(10) H ARG 55 - QD2 LEU 37 OK 27 99 - 27 - 4.6/4657=5, 4.6/4658=4...(9) Peak 1966 from cnoeabs.peaks (4.06, 0.92, 27.31 ppm; 4.28 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 37 + QD2 LEU 37 OK 100 100 - 100 - 3.8=100 Peak 1967 from cnoeabs.peaks (1.66, 0.92, 27.31 ppm; 2.80 A): 2 out of 11 assignments used, quality = 0.91: * HB2 LEU 37 + QD2 LEU 37 OK 85 100 - 85 - 3.1=72, 3.0/1942=14...(10) HG3 LYS 22 + QD2 LEU 37 OK 41 93 - 45 - 2.9/4388=6, 3.7/4386=6...(15) HG13 ILE 50 - QD2 LEU 37 lone 5 63 - 9 - 2.1/2509=3, 4.0/2474=2 HB2 LEU 64 - QD2 LEU 37 lone 3 100 - 2 - HD3 LYS 42 - QD2 LEU 37 lone 2 100 - 2 - 640/4.5=1 HD3 LYS 62 - QD2 LEU 37 lone 1 100 - 1 - HD2 LYS 62 - QD2 LEU 37 lone 1 99 - 1 - HD3 LYS 60 - QD2 LEU 37 lone 1 99 - 1 - HD2 LYS 60 - QD2 LEU 37 lone 1 99 - 1 - HG LEU 64 - QD2 LEU 37 lone 1 71 - 1 - HB2 LEU 68 - QD2 LEU 37 lone 0 63 - 0 - Peak 1968 from cnoeabs.peaks (1.73, 0.92, 27.31 ppm; 3.30 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 37 + QD2 LEU 37 OK 100 100 - 100 - 3.1=100 Peak 1969 from cnoeabs.peaks (1.56, 0.92, 27.31 ppm; 3.14 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 37 + QD2 LEU 37 OK 100 100 - 100 - 2.1=100 Peak 1970 from cnoeabs.peaks (0.92, 0.92, 27.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 37 + QD2 LEU 37 OK 100 100 - 100 Peak 1971 from cnoeabs.peaks (0.96, 0.92, 27.31 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 37 + QD2 LEU 37 OK 100 100 - 100 - 2.1=100 Peak 1972 from cnoeabs.peaks (8.07, 0.96, 24.23 ppm; 3.78 A): 3 out of 4 assignments used, quality = 0.99: * H LEU 37 + QD1 LEU 37 OK 95 100 - 95 - 4.5=60, 3.0/1943=29...(19) H LEU 41 + QD1 LEU 37 OK 73 97 - 75 - 4.2/4382=18, 4465=14...(17) H GLN 47 + QD1 LEU 37 OK 46 92 - 50 - 4539=9, 4.0/4552=7...(14) H ARG 55 - QD1 LEU 37 OK 15 99 - 15 - 1965/2.1=3, 1951/3.1=2...(5) Peak 1973 from cnoeabs.peaks (4.06, 0.96, 24.23 ppm; 2.97 A): 2 out of 8 assignments used, quality = 0.87: * HA LEU 37 + QD1 LEU 37 OK 84 100 - 84 - 3.8=46, 1942/2.1=20...(20) HA LYS 39 + QD1 LEU 37 OK 20 76 - 26 - 3.0/4416=7, 3.6/4420=6...(7) HB THR 46 - QD1 LEU 37 lone 7 100 - 7 - 4.5/4539=3, 1959/2.1=1 HA ARG 21 - QD1 LEU 37 lone 6 96 - 6 - HA GLU 33 - QD1 LEU 37 lone 5 95 - 5 - 3737/4.5=1 HB THR 14 - QD1 LEU 37 lone 4 93 - 4 - 3.0/4869=1 HA ARG 56 - QD1 LEU 37 lone 2 81 - 3 - HA SER 24 - QD1 LEU 37 lone 1 85 - 1 - Peak 1974 from cnoeabs.peaks (1.66, 0.96, 24.23 ppm; 3.19 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 37 + QD1 LEU 37 OK 100 100 - 100 - 3.1=100 Peak 1975 from cnoeabs.peaks (1.73, 0.96, 24.23 ppm; 3.43 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 37 + QD1 LEU 37 OK 100 100 - 100 - 3.1=100 Peak 1976 from cnoeabs.peaks (1.56, 0.96, 24.23 ppm; 3.16 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 37 + QD1 LEU 37 OK 100 100 - 100 - 2.1=100 Peak 1977 from cnoeabs.peaks (0.92, 0.96, 24.23 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 37 + QD1 LEU 37 OK 100 100 - 100 - 2.1=100 Peak 1978 from cnoeabs.peaks (0.96, 0.96, 24.23 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 37 + QD1 LEU 37 OK 100 100 - 100 Peak 1979 from cnoeabs.peaks (8.44, 3.61, 55.88 ppm; 3.72 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 38 + HA ALA 38 OK 100 100 - 100 - 2.9=100 Peak 1980 from cnoeabs.peaks (3.61, 3.61, 55.88 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 38 + HA ALA 38 OK 100 100 - 100 Peak 1981 from cnoeabs.peaks (1.34, 3.61, 55.88 ppm; 3.08 A): 1 out of 1 assignment used, quality = 1.00: * QB ALA 38 + HA ALA 38 OK 100 100 - 100 - 2.1=100 Peak 1982 from cnoeabs.peaks (8.44, 1.34, 17.52 ppm; 2.92 A): 1 out of 2 assignments used, quality = 0.99: * H ALA 38 + QB ALA 38 OK 99 100 - 99 - 2.9=99, 162/3.6=16...(11) H GLU 20 - QB ALA 38 lone 5 65 - 7 - 4.6/4394=2, 4.0/4409=1 Peak 1983 from cnoeabs.peaks (3.61, 1.34, 17.52 ppm; 2.74 A): 1 out of 1 assignment used, quality = 1.00: * HA ALA 38 + QB ALA 38 OK 100 100 - 100 - 2.1=100 Peak 1984 from cnoeabs.peaks (1.34, 1.34, 17.52 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 38 + QB ALA 38 OK 100 100 - 100 Peak 1985 from cnoeabs.peaks (7.67, 4.08, 59.02 ppm; 3.30 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 39 + HA LYS 39 OK 100 100 - 100 - 3.0=100 Peak 1986 from cnoeabs.peaks (4.08, 4.08, 59.02 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA LYS 39 + HA LYS 39 OK 100 100 - 100 HA GLU 33 + HA GLU 33 OK 82 82 - 100 Peak 1987 from cnoeabs.peaks (1.92, 4.08, 59.02 ppm; 2.78 A): 2 out of 8 assignments used, quality = 0.99: * HB2 LYS 39 + HA LYS 39 OK 91 100 - 91 - 3.0=80, 650/3.0=11...(17) HB3 LYS 39 + HA LYS 39 OK 91 100 - 91 - 3.0=80, 650/3.0=11...(17) HB2 ARG 34 - HA GLU 33 OK 14 74 - 18 - 1863/3.6=11, 4.3/3731=3...(5) HB2 ARG 34 - HA LYS 39 lone 4 90 - 4 - 4.3/3731=1 HB3 LYS 39 - HA GLU 33 lone 3 87 - 4 - HB2 LYS 39 - HA GLU 33 lone 3 88 - 4 - HB ILE 50 - HA LYS 39 lone 2 93 - 2 - HB ILE 50 - HA GLU 33 lone 1 77 - 1 - Peak 1988 from cnoeabs.peaks (1.92, 4.08, 59.02 ppm; 2.78 A): 2 out of 8 assignments used, quality = 0.99: * HB3 LYS 39 + HA LYS 39 OK 91 100 - 91 - 3.0=80, 650/3.0=11...(17) HB2 LYS 39 + HA LYS 39 OK 91 100 - 91 - 3.0=80, 650/3.0=11...(17) HB2 ARG 34 - HA GLU 33 OK 15 77 - 19 - 1863/3.6=12, 4.3/3731=3...(5) HB2 ARG 34 - HA LYS 39 lone 4 93 - 4 - 4.3/3731=1 HB3 LYS 39 - HA GLU 33 lone 3 88 - 4 - HB2 LYS 39 - HA GLU 33 lone 3 87 - 4 - HB ILE 50 - HA LYS 39 lone 2 96 - 2 - HB ILE 50 - HA GLU 33 lone 1 80 - 1 - Peak 1989 from cnoeabs.peaks (1.43, 4.08, 59.02 ppm; 3.67 A): 1 out of 18 assignments used, quality = 0.97: * HG2 LYS 39 + HA LYS 39 OK 97 100 - 97 - 3.9=85, 1.8/2026=21...(24) HB3 LEU 41 - HA LYS 39 OK 37 100 - 37 - 4.6/4893=11, 4461/5.0=8...(8) HG3 LYS 58 - HA LYS 39 OK 15 73 - 20 - 2863/3.0=3, 3.0/1990=3...(10) HB3 LEU 41 - HA GLU 33 lone 8 87 - 9 - 4.6/4893=4, 4.0/1007=2 HG3 LYS 62 - HA LYS 39 lone 7 100 - 7 - 652/3.0=1 HG2 LYS 62 - HA LYS 39 lone 7 100 - 7 - 652/3.0=1 HG3 LYS 60 - HA LYS 39 lone 7 100 - 7 - 652/3.0=1 HG2 LYS 60 - HA LYS 39 lone 7 100 - 7 - 652/3.0=1 HG2 LYS 39 - HA GLU 33 lone 6 88 - 7 - 1.8/2026=2 HB2 LYS 27 - HA LYS 39 lone 6 96 - 6 - 652/3.0=1, 169/3.6=1, 1.8/1990=1 HG3 ARG 56 - HA LYS 39 lone 3 76 - 4 - HB2 LYS 27 - HA GLU 33 lone 2 80 - 2 - HG2 LYS 62 - HA GLU 33 lone 1 87 - 1 - HG3 LYS 62 - HA GLU 33 lone 1 87 - 1 - HG3 LYS 60 - HA GLU 33 lone 1 87 - 1 - HG2 LYS 60 - HA GLU 33 lone 1 87 - 1 - HG3 LYS 58 - HA GLU 33 lone 1 58 - 2 - HG3 ARG 56 - HA GLU 33 lone 1 60 - 1 - Peak 1990 from cnoeabs.peaks (1.54, 4.08, 59.02 ppm; 3.51 A): 1 out of 14 assignments used, quality = 0.94: * HG3 LYS 39 + HA LYS 39 OK 94 100 - 94 - 3.9=74, 1.8/1989=16...(24) QB ALA 31 - HA GLU 33 OK 25 79 - 31 - 4283/3.6=12, ~3719=8...(8) HG LEU 37 - HA LYS 39 OK 22 92 - 25 - ~4416=6, 653/3.0=5...(6) HD3 LYS 58 - HA LYS 39 OK 20 100 - 20 - 653/3.0=3, ~653=2...(11) HD2 LYS 58 - HA LYS 39 OK 20 100 - 20 - 653/3.0=3, ~653=2...(11) HG3 LYS 39 - HA GLU 33 lone 7 88 - 8 - 2026=2, 1.8/1989=1 HG2 LYS 49 - HA LYS 39 lone 6 68 - 8 - 653/3.0=1 HB3 LYS 27 - HA LYS 39 lone 5 92 - 5 - 653/3.0=1, 1.8/1989=1, 170/3.6=1 HG LEU 37 - HA GLU 33 lone 4 76 - 6 - 5.0/3737=1, 2.1/1973=1 QB ALA 31 - HA LYS 39 lone 2 95 - 2 - HG2 LYS 49 - HA GLU 33 lone 2 53 - 3 - HB3 LYS 27 - HA GLU 33 lone 1 76 - 2 - HD3 LYS 58 - HA GLU 33 lone 1 86 - 1 - HD2 LYS 58 - HA GLU 33 lone 1 86 - 1 - Peak 1991 from cnoeabs.peaks (1.69, 4.08, 59.02 ppm; 3.87 A): 2 out of 26 assignments used, quality = 0.99: * HD2 LYS 39 + HA LYS 39 OK 89 100 - 89 - 5.2=41, 3.0/2026=18...(26) HD3 LYS 39 + HA LYS 39 OK 89 100 - 89 - 5.2=41, 3.0/2026=18...(26) HD3 LYS 49 - HA LYS 39 OK 12 99 - 12 - 655/3.0=1 HD2 LYS 49 - HA LYS 39 OK 12 98 - 12 - 654/3.0=1 HD2 LYS 42 - HA LYS 39 OK 12 68 - 18 - 6.1/4893=8, 3.0/4418=3...(6) HD3 LYS 39 - HA GLU 33 lone 8 88 - 9 - 3.0/2026=2, 2036=1 HD2 LYS 39 - HA GLU 33 lone 8 88 - 9 - 3.0/2026=2, 2036=1 HD2 LYS 60 - HA LYS 39 lone 7 78 - 9 - 2.9/1989=1, 2.9/1989=1 HD2 LYS 62 - HA LYS 39 lone 7 73 - 9 - 3.0/1989=1, 3.0/1989=1 HG3 LYS 22 - HA LYS 39 lone 7 90 - 7 - 1444/3.6=2 HD3 LYS 60 - HA LYS 39 lone 7 73 - 9 - 2.9/1989=1, 2.9/1989=1 HD3 LYS 62 - HA LYS 39 lone 7 71 - 9 - 3.0/1989=1, 3.0/1989=1 HG2 LYS 22 - HA LYS 39 lone 6 83 - 7 - 4852/3.6=2 HG13 ILE 50 - HA LYS 39 lone 5 100 - 5 - HG3 LYS 22 - HA GLU 33 lone 4 74 - 6 - 4155/4305=4 HB2 ARG 56 - HA LYS 39 lone 4 65 - 6 - ~3843=2 HG2 LYS 22 - HA GLU 33 lone 4 67 - 6 - 4153/4305=4 HD2 LYS 42 - HA GLU 33 lone 4 53 - 6 - 6.1/4893=3 HD3 LYS 49 - HA GLU 33 lone 3 84 - 3 - HD2 LYS 49 - HA GLU 33 lone 3 83 - 3 - HG13 ILE 50 - HA GLU 33 lone 2 87 - 2 - HD2 LYS 62 - HA GLU 33 lone 1 58 - 2 - HD3 LYS 62 - HA GLU 33 lone 1 56 - 2 - HD2 LYS 60 - HA GLU 33 lone 1 62 - 2 - HD3 LYS 60 - HA GLU 33 lone 1 58 - 2 - HB2 ARG 56 - HA GLU 33 lone 1 51 - 2 - Peak 1992 from cnoeabs.peaks (1.69, 4.08, 59.02 ppm; 3.87 A): 2 out of 26 assignments used, quality = 0.99: HD2 LYS 39 + HA LYS 39 OK 89 100 - 89 - 5.2=41, 3.0/2026=18...(26) * HD3 LYS 39 + HA LYS 39 OK 89 100 - 89 - 5.2=41, 3.0/2026=18...(26) HD3 LYS 49 - HA LYS 39 OK 12 99 - 12 - 655/3.0=1 HD2 LYS 49 - HA LYS 39 OK 12 98 - 12 - 654/3.0=1 HD2 LYS 42 - HA LYS 39 OK 12 68 - 18 - 6.1/4893=8, 3.0/4418=3...(6) HD3 LYS 39 - HA GLU 33 lone 8 88 - 9 - 3.0/2026=2, 2036=1 HD2 LYS 39 - HA GLU 33 lone 8 88 - 9 - 3.0/2026=2, 2036=1 HD2 LYS 60 - HA LYS 39 lone 7 78 - 9 - 2.9/1989=1, 2.9/1989=1 HD2 LYS 62 - HA LYS 39 lone 7 73 - 9 - 3.0/1989=1, 3.0/1989=1 HG3 LYS 22 - HA LYS 39 lone 7 90 - 7 - 1444/3.6=2 HD3 LYS 60 - HA LYS 39 lone 7 73 - 9 - 2.9/1989=1, 2.9/1989=1 HD3 LYS 62 - HA LYS 39 lone 7 71 - 9 - 3.0/1989=1, 3.0/1989=1 HG2 LYS 22 - HA LYS 39 lone 6 83 - 7 - 4852/3.6=2 HG13 ILE 50 - HA LYS 39 lone 5 100 - 5 - HG3 LYS 22 - HA GLU 33 lone 4 74 - 6 - 4155/4305=4 HB2 ARG 56 - HA LYS 39 lone 4 65 - 6 - ~3843=2 HG2 LYS 22 - HA GLU 33 lone 4 67 - 6 - 4153/4305=4 HD2 LYS 42 - HA GLU 33 lone 4 53 - 6 - 6.1/4893=3 HD3 LYS 49 - HA GLU 33 lone 3 84 - 3 - HD2 LYS 49 - HA GLU 33 lone 3 83 - 3 - HG13 ILE 50 - HA GLU 33 lone 2 87 - 2 - HD2 LYS 62 - HA GLU 33 lone 1 58 - 2 - HD3 LYS 62 - HA GLU 33 lone 1 56 - 2 - HD2 LYS 60 - HA GLU 33 lone 1 62 - 2 - HD3 LYS 60 - HA GLU 33 lone 1 58 - 2 - HB2 ARG 56 - HA GLU 33 lone 1 51 - 2 - Peak 1995 from cnoeabs.peaks (7.67, 1.92, 32.12 ppm; 2.91 A): 2 out of 10 assignments used, quality = 0.94: * H LYS 39 + HB2 LYS 39 OK 76 100 - 76 - 3.9=41, 650/1.8=18...(15) H LYS 39 + HB3 LYS 39 OK 76 100 - 76 - 3.9=41, 650/1.8=18...(15) H VAL 48 - HB3 LYS 39 lone 10 98 - 10 - 165/4.1=2, 3.6/3785=2 H VAL 48 - HB2 LYS 39 lone 10 98 - 10 - 165/4.1=2, 3.6/3785=2 H LYS 58 - HB2 LYS 39 lone 9 100 - 9 - 2025/2.9=2, 789/2.9=2, 165/4.1=2 H LYS 58 - HB3 LYS 39 lone 9 99 - 9 - 2025/2.9=2, 789/2.9=2, 165/4.1=2 HE22 GLN 47 - HB3 LYS 39 lone 7 99 - 7 - 2025/2.9=1 HE22 GLN 47 - HB2 LYS 39 lone 7 99 - 7 - 2025/2.9=1 HE22 GLN 26 - HB2 LYS 39 lone 1 60 - 1 - HE22 GLN 26 - HB3 LYS 39 lone 1 60 - 1 - Peak 1996 from cnoeabs.peaks (4.08, 1.92, 32.12 ppm; 3.04 A): 2 out of 2 assignments used, quality = 1.00: * HA LYS 39 + HB2 LYS 39 OK 100 100 - 100 - 3.0=100 HA LYS 39 + HB3 LYS 39 OK 100 100 - 100 - 3.0=100 Peak 1997 from cnoeabs.peaks (1.92, 1.92, 32.12 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 LYS 39 + HB2 LYS 39 OK 100 100 - 100 HB3 LYS 39 + HB3 LYS 39 OK 100 100 - 100 Peak 1998 from cnoeabs.peaks (1.92, 1.92, 32.12 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB2 LYS 39 + HB2 LYS 39 OK 100 100 - 100 HB3 LYS 39 + HB3 LYS 39 OK 100 100 - 100 Reference assignment not found: HB3 LYS 39 - HB2 LYS 39 Peak 1999 from cnoeabs.peaks (1.43, 1.92, 32.12 ppm; 3.29 A): 2 out of 2 assignments used, quality = 1.00: * HG2 LYS 39 + HB2 LYS 39 OK 100 100 - 100 - 2.9=100 HG2 LYS 39 + HB3 LYS 39 OK 100 100 - 100 - 2.9=100 Peak 2000 from cnoeabs.peaks (1.54, 1.92, 32.12 ppm; 3.44 A): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 39 + HB2 LYS 39 OK 100 100 - 100 - 2.9=100 HG3 LYS 39 + HB3 LYS 39 OK 100 100 - 100 - 2.9=100 Peak 2001 from cnoeabs.peaks (1.69, 1.92, 32.12 ppm; 3.37 A): 4 out of 26 assignments used, quality = 1.00: HD3 LYS 39 + HB2 LYS 39 OK 89 100 - 89 - 3.9=66, 2032/2.9=13...(28) * HD2 LYS 39 + HB2 LYS 39 OK 89 100 - 89 - 3.9=66, 2032/2.9=13...(28) HD2 LYS 39 + HB3 LYS 39 OK 89 100 - 89 - 3.9=66, 2032/2.9=13...(28) HD3 LYS 39 + HB3 LYS 39 OK 89 100 - 89 - 3.9=66, 2032/2.9=13...(28) HD3 LYS 49 - HB2 LYS 39 lone 9 99 - 9 - HD3 LYS 49 - HB3 LYS 39 lone 9 98 - 9 - HD2 LYS 49 - HB2 LYS 39 lone 9 98 - 9 - HD2 LYS 49 - HB3 LYS 39 lone 9 98 - 9 - HD2 LYS 60 - HB2 LYS 39 lone 4 78 - 6 - HD2 LYS 60 - HB3 LYS 39 lone 4 78 - 6 - HG3 LYS 22 - HB2 LYS 39 lone 4 90 - 5 - 1444/4.1=1 HG3 LYS 22 - HB3 LYS 39 lone 4 90 - 5 - 1444/4.1=1 HD2 LYS 62 - HB2 LYS 39 lone 4 73 - 6 - HD2 LYS 62 - HB3 LYS 39 lone 4 73 - 6 - HD3 LYS 60 - HB2 LYS 39 lone 4 73 - 6 - HD3 LYS 60 - HB3 LYS 39 lone 4 73 - 6 - HD3 LYS 62 - HB2 LYS 39 lone 4 71 - 6 - HD3 LYS 62 - HB3 LYS 39 lone 4 70 - 6 - HG2 LYS 22 - HB2 LYS 39 lone 4 83 - 4 - HG2 LYS 22 - HB3 LYS 39 lone 4 82 - 4 - HG13 ILE 50 - HB3 LYS 39 lone 4 100 - 4 - HG13 ILE 50 - HB2 LYS 39 lone 4 100 - 4 - HD2 LYS 42 - HB2 LYS 39 lone 3 68 - 4 - HD2 LYS 42 - HB3 LYS 39 lone 3 68 - 4 - HB2 ARG 56 - HB2 LYS 39 lone 2 65 - 3 - HB2 ARG 56 - HB3 LYS 39 lone 2 65 - 3 - Peak 2002 from cnoeabs.peaks (1.69, 1.92, 32.12 ppm; 3.37 A): 4 out of 26 assignments used, quality = 1.00: * HD3 LYS 39 + HB2 LYS 39 OK 89 100 - 89 - 3.9=66, 2032/2.9=13...(28) HD2 LYS 39 + HB2 LYS 39 OK 89 100 - 89 - 3.9=66, 2032/2.9=13...(28) HD2 LYS 39 + HB3 LYS 39 OK 89 100 - 89 - 3.9=66, 2032/2.9=13...(28) HD3 LYS 39 + HB3 LYS 39 OK 89 100 - 89 - 3.9=66, 2032/2.9=13...(28) HD3 LYS 49 - HB2 LYS 39 lone 9 99 - 9 - HD3 LYS 49 - HB3 LYS 39 lone 9 98 - 9 - HD2 LYS 49 - HB2 LYS 39 lone 9 98 - 9 - HD2 LYS 49 - HB3 LYS 39 lone 9 98 - 9 - HD2 LYS 60 - HB2 LYS 39 lone 4 78 - 6 - HD2 LYS 60 - HB3 LYS 39 lone 4 78 - 6 - HG3 LYS 22 - HB2 LYS 39 lone 4 90 - 5 - 1444/4.1=1 HG3 LYS 22 - HB3 LYS 39 lone 4 90 - 5 - 1444/4.1=1 HD2 LYS 62 - HB2 LYS 39 lone 4 73 - 6 - HD2 LYS 62 - HB3 LYS 39 lone 4 73 - 6 - HD3 LYS 60 - HB2 LYS 39 lone 4 73 - 6 - HD3 LYS 60 - HB3 LYS 39 lone 4 73 - 6 - HD3 LYS 62 - HB2 LYS 39 lone 4 71 - 6 - HD3 LYS 62 - HB3 LYS 39 lone 4 70 - 6 - HG2 LYS 22 - HB2 LYS 39 lone 4 83 - 4 - HG2 LYS 22 - HB3 LYS 39 lone 4 82 - 4 - HG13 ILE 50 - HB3 LYS 39 lone 4 100 - 4 - HG13 ILE 50 - HB2 LYS 39 lone 4 100 - 4 - HD2 LYS 42 - HB2 LYS 39 lone 3 68 - 4 - HD2 LYS 42 - HB3 LYS 39 lone 3 68 - 4 - HB2 ARG 56 - HB2 LYS 39 lone 2 65 - 3 - HB2 ARG 56 - HB3 LYS 39 lone 2 65 - 3 - Peak 2003 from cnoeabs.peaks (2.98, 1.92, 32.12 ppm; 4.93 A): 4 out of 4 assignments used, quality = 1.00: HE3 LYS 39 + HB2 LYS 39 OK 100 100 - 100 - 4.9=100 * HE2 LYS 39 + HB2 LYS 39 OK 100 100 - 100 - 4.9=100 HE3 LYS 39 + HB3 LYS 39 OK 100 100 - 100 - 4.9=100 HE2 LYS 39 + HB3 LYS 39 OK 100 100 - 100 - 4.9=100 Peak 2004 from cnoeabs.peaks (2.98, 1.92, 32.12 ppm; 4.93 A): 4 out of 4 assignments used, quality = 1.00: * HE3 LYS 39 + HB2 LYS 39 OK 100 100 - 100 - 4.9=100 HE2 LYS 39 + HB2 LYS 39 OK 100 100 - 100 - 4.9=100 HE3 LYS 39 + HB3 LYS 39 OK 100 100 - 100 - 4.9=100 HE2 LYS 39 + HB3 LYS 39 OK 100 100 - 100 - 4.9=100 Peak 2005 from cnoeabs.peaks (7.67, 1.92, 32.12 ppm; 2.91 A): 2 out of 10 assignments used, quality = 0.94: * H LYS 39 + HB3 LYS 39 OK 76 100 - 76 - 3.9=41, 650/1.8=18...(15) H LYS 39 + HB2 LYS 39 OK 76 100 - 76 - 3.9=41, 650/1.8=18...(15) H VAL 48 - HB3 LYS 39 lone 10 98 - 10 - 165/4.1=2, 3.6/3785=2 H VAL 48 - HB2 LYS 39 lone 10 98 - 10 - 165/4.1=2, 3.6/3785=2 H LYS 58 - HB3 LYS 39 lone 9 100 - 9 - 2025/2.9=2, 789/2.9=2, 165/4.1=2 H LYS 58 - HB2 LYS 39 lone 9 99 - 9 - 2025/2.9=2, 789/2.9=2, 165/4.1=2 HE22 GLN 47 - HB3 LYS 39 lone 7 99 - 7 - 2025/2.9=1, 4.6/4545=1 HE22 GLN 47 - HB2 LYS 39 lone 7 99 - 7 - 2025/2.9=1 HE22 GLN 26 - HB3 LYS 39 lone 1 60 - 1 - HE22 GLN 26 - HB2 LYS 39 lone 1 60 - 1 - Peak 2006 from cnoeabs.peaks (4.08, 1.92, 32.12 ppm; 3.04 A): 2 out of 2 assignments used, quality = 1.00: * HA LYS 39 + HB3 LYS 39 OK 100 100 - 100 - 3.0=100 HA LYS 39 + HB2 LYS 39 OK 100 100 - 100 - 3.0=100 Peak 2007 from cnoeabs.peaks (1.92, 1.92, 32.12 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 LYS 39 + HB3 LYS 39 OK 100 100 - 100 HB2 LYS 39 + HB2 LYS 39 OK 100 100 - 100 Reference assignment not found: HB2 LYS 39 - HB3 LYS 39 Peak 2008 from cnoeabs.peaks (1.92, 1.92, 32.12 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 39 + HB3 LYS 39 OK 100 100 - 100 HB2 LYS 39 + HB2 LYS 39 OK 100 100 - 100 Peak 2009 from cnoeabs.peaks (1.43, 1.92, 32.12 ppm; 3.29 A): 2 out of 2 assignments used, quality = 1.00: * HG2 LYS 39 + HB3 LYS 39 OK 100 100 - 100 - 2.9=100 HG2 LYS 39 + HB2 LYS 39 OK 100 100 - 100 - 2.9=100 Peak 2010 from cnoeabs.peaks (1.54, 1.92, 32.12 ppm; 3.44 A): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 39 + HB3 LYS 39 OK 100 100 - 100 - 2.9=100 HG3 LYS 39 + HB2 LYS 39 OK 100 100 - 100 - 2.9=100 Peak 2011 from cnoeabs.peaks (1.69, 1.92, 32.12 ppm; 3.37 A): 4 out of 26 assignments used, quality = 1.00: HD3 LYS 39 + HB3 LYS 39 OK 89 100 - 89 - 3.9=66, 2032/2.9=13...(28) * HD2 LYS 39 + HB3 LYS 39 OK 89 100 - 89 - 3.9=66, 2032/2.9=13...(28) HD2 LYS 39 + HB2 LYS 39 OK 89 100 - 89 - 3.9=66, 2032/2.9=13...(28) HD3 LYS 39 + HB2 LYS 39 OK 89 100 - 89 - 3.9=66, 2032/2.9=13...(28) HD3 LYS 49 - HB3 LYS 39 lone 9 99 - 9 - HD2 LYS 49 - HB3 LYS 39 lone 9 98 - 9 - HD3 LYS 49 - HB2 LYS 39 lone 9 98 - 9 - HD2 LYS 49 - HB2 LYS 39 lone 9 98 - 9 - HD2 LYS 60 - HB3 LYS 39 lone 4 78 - 6 - HD2 LYS 60 - HB2 LYS 39 lone 4 78 - 6 - HG3 LYS 22 - HB3 LYS 39 lone 4 90 - 5 - 1444/4.1=1 HG3 LYS 22 - HB2 LYS 39 lone 4 90 - 5 - 1444/4.1=1 HD2 LYS 62 - HB3 LYS 39 lone 4 73 - 6 - HD2 LYS 62 - HB2 LYS 39 lone 4 73 - 6 - HD3 LYS 60 - HB3 LYS 39 lone 4 73 - 6 - HD3 LYS 60 - HB2 LYS 39 lone 4 73 - 6 - HD3 LYS 62 - HB3 LYS 39 lone 4 71 - 6 - HD3 LYS 62 - HB2 LYS 39 lone 4 70 - 6 - HG2 LYS 22 - HB3 LYS 39 lone 4 83 - 4 - HG2 LYS 22 - HB2 LYS 39 lone 4 82 - 4 - HG13 ILE 50 - HB3 LYS 39 lone 4 100 - 4 - HG13 ILE 50 - HB2 LYS 39 lone 4 100 - 4 - HD2 LYS 42 - HB3 LYS 39 lone 3 68 - 4 - HD2 LYS 42 - HB2 LYS 39 lone 3 68 - 4 - HB2 ARG 56 - HB3 LYS 39 lone 2 65 - 3 - HB2 ARG 56 - HB2 LYS 39 lone 2 65 - 3 - Peak 2012 from cnoeabs.peaks (1.69, 1.92, 32.12 ppm; 3.37 A): 4 out of 26 assignments used, quality = 1.00: * HD3 LYS 39 + HB3 LYS 39 OK 89 100 - 89 - 3.9=66, 2032/2.9=13...(28) HD2 LYS 39 + HB3 LYS 39 OK 89 100 - 89 - 3.9=66, 2032/2.9=13...(28) HD2 LYS 39 + HB2 LYS 39 OK 89 100 - 89 - 3.9=66, 2032/2.9=13...(28) HD3 LYS 39 + HB2 LYS 39 OK 89 100 - 89 - 3.9=66, 2032/2.9=13...(28) HD3 LYS 49 - HB3 LYS 39 lone 9 99 - 9 - HD2 LYS 49 - HB3 LYS 39 lone 9 98 - 9 - HD3 LYS 49 - HB2 LYS 39 lone 9 98 - 9 - HD2 LYS 49 - HB2 LYS 39 lone 9 98 - 9 - HD2 LYS 60 - HB3 LYS 39 lone 4 78 - 6 - HD2 LYS 60 - HB2 LYS 39 lone 4 78 - 6 - HG3 LYS 22 - HB3 LYS 39 lone 4 90 - 5 - 1444/4.1=1 HG3 LYS 22 - HB2 LYS 39 lone 4 90 - 5 - 1444/4.1=1 HD2 LYS 62 - HB3 LYS 39 lone 4 73 - 6 - HD2 LYS 62 - HB2 LYS 39 lone 4 73 - 6 - HD3 LYS 60 - HB3 LYS 39 lone 4 73 - 6 - HD3 LYS 60 - HB2 LYS 39 lone 4 73 - 6 - HD3 LYS 62 - HB3 LYS 39 lone 4 71 - 6 - HD3 LYS 62 - HB2 LYS 39 lone 4 70 - 6 - HG2 LYS 22 - HB3 LYS 39 lone 4 83 - 4 - HG2 LYS 22 - HB2 LYS 39 lone 4 82 - 4 - HG13 ILE 50 - HB3 LYS 39 lone 4 100 - 4 - HG13 ILE 50 - HB2 LYS 39 lone 4 100 - 4 - HD2 LYS 42 - HB3 LYS 39 lone 3 68 - 4 - HD2 LYS 42 - HB2 LYS 39 lone 3 68 - 4 - HB2 ARG 56 - HB3 LYS 39 lone 2 65 - 3 - HB2 ARG 56 - HB2 LYS 39 lone 2 65 - 3 - Peak 2013 from cnoeabs.peaks (2.98, 1.92, 32.12 ppm; 4.93 A): 4 out of 4 assignments used, quality = 1.00: HE3 LYS 39 + HB3 LYS 39 OK 100 100 - 100 - 4.9=100 * HE2 LYS 39 + HB3 LYS 39 OK 100 100 - 100 - 4.9=100 HE2 LYS 39 + HB2 LYS 39 OK 100 100 - 100 - 4.9=100 HE3 LYS 39 + HB2 LYS 39 OK 100 100 - 100 - 4.9=100 Peak 2014 from cnoeabs.peaks (2.98, 1.92, 32.12 ppm; 4.93 A): 4 out of 4 assignments used, quality = 1.00: * HE3 LYS 39 + HB3 LYS 39 OK 100 100 - 100 - 4.9=100 HE2 LYS 39 + HB3 LYS 39 OK 100 100 - 100 - 4.9=100 HE2 LYS 39 + HB2 LYS 39 OK 100 100 - 100 - 4.9=100 HE3 LYS 39 + HB2 LYS 39 OK 100 100 - 100 - 4.9=100 Peak 2015 from cnoeabs.peaks (7.67, 1.43, 24.82 ppm; 4.30 A): 1 out of 25 assignments used, quality = 0.96: * H LYS 39 + HG2 LYS 39 OK 96 100 - 96 - 4.9=67, 2025/1.8=25...(19) H LYS 58 - HG2 LYS 39 OK 28 100 - 28 - 2025/1.8=6, 789=3...(11) H VAL 48 - HG2 LYS 39 OK 16 98 - 16 - 2025/1.8=4, 165/5.0=4...(6) HE22 GLN 47 - HG2 LYS 39 OK 12 99 - 12 - 2025/1.8=3, ~4557=2...(5) H LYS 39 - HG2 LYS 62 OK 12 99 - 12 - 652=2, 652/1.8=2, 3.0/1989=1 H LYS 39 - HG3 LYS 62 OK 12 99 - 12 - 652=2, 652/1.8=2, 3.0/1989=1 H LYS 39 - HG3 LYS 60 OK 11 94 - 11 - 652=2, 652/1.8=2, 3.0/1989=1 H LYS 39 - HG2 LYS 60 OK 11 94 - 11 - 652=2, 652/1.8=2, 3.0/1989=1 H LYS 58 - HG2 LYS 62 lone 8 98 - 8 - 3.6/4851=2, 789/1.8=1, 789=1 H LYS 58 - HG3 LYS 62 lone 8 98 - 8 - 3.6/4851=2, 789/1.8=1, 789=1 H LYS 58 - HG3 LYS 60 lone 5 93 - 6 - 3.6/4851=2 H LYS 58 - HG2 LYS 60 lone 5 92 - 6 - 3.6/4851=2 HE22 GLN 26 - HG2 LYS 39 lone 2 60 - 3 - H VAL 48 - HG2 LYS 62 lone 2 96 - 2 - H VAL 48 - HG3 LYS 62 lone 2 96 - 2 - H VAL 48 - HG3 LYS 60 lone 2 90 - 2 - H VAL 48 - HG2 LYS 60 lone 2 90 - 2 - HE22 GLN 47 - HG3 LYS 62 lone 2 97 - 2 - HE22 GLN 47 - HG2 LYS 62 lone 2 97 - 2 - HE22 GLN 47 - HG3 LYS 60 lone 1 92 - 2 - HE22 GLN 47 - HG2 LYS 60 lone 1 91 - 2 - HE22 GLN 26 - HG2 LYS 62 lone 1 57 - 1 - HE22 GLN 26 - HG3 LYS 62 lone 1 57 - 1 - HE22 GLN 26 - HG3 LYS 60 lone 1 52 - 1 - HE22 GLN 26 - HG2 LYS 60 lone 1 51 - 1 - Peak 2016 from cnoeabs.peaks (4.08, 1.43, 24.82 ppm; 3.89 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 39 + HG2 LYS 39 OK 100 100 - 100 - 3.9=100 Peak 2017 from cnoeabs.peaks (1.92, 1.43, 24.82 ppm; 3.55 A): 2 out of 2 assignments used, quality = 1.00: * HB2 LYS 39 + HG2 LYS 39 OK 100 100 - 100 - 2.9=100 HB3 LYS 39 + HG2 LYS 39 OK 100 100 - 100 - 2.9=100 Peak 2018 from cnoeabs.peaks (1.92, 1.43, 24.82 ppm; 3.55 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 39 + HG2 LYS 39 OK 100 100 - 100 - 2.9=100 HB2 LYS 39 + HG2 LYS 39 OK 100 100 - 100 - 2.9=100 Peak 2019 from cnoeabs.peaks (1.43, 1.43, 24.82 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HG2 LYS 39 + HG2 LYS 39 OK 100 100 - 100 HG2 LYS 62 + HG2 LYS 62 OK 98 98 - 100 HG3 LYS 62 + HG3 LYS 62 OK 98 98 - 100 HG3 LYS 60 + HG3 LYS 60 OK 94 94 - 100 HG2 LYS 60 + HG2 LYS 60 OK 93 93 - 100 Peak 2020 from cnoeabs.peaks (1.54, 1.43, 24.82 ppm; 2.54 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 39 + HG2 LYS 39 OK 100 100 - 100 - 1.8=100 Peak 2021 from cnoeabs.peaks (1.69, 1.43, 24.82 ppm; 3.09 A): 10 out of 10 assignments used, quality = 1.00: HD3 LYS 39 + HG2 LYS 39 OK 100 100 - 100 - 3.0=100 * HD2 LYS 39 + HG2 LYS 39 OK 100 100 - 100 - 3.0=100 HD2 LYS 62 + HG3 LYS 62 OK 70 70 - 100 - 3.0=100 HD2 LYS 62 + HG2 LYS 62 OK 70 70 - 100 - 3.0=100 HD2 LYS 60 + HG3 LYS 60 OK 69 69 - 100 - 2.9=100 HD2 LYS 60 + HG2 LYS 60 OK 68 68 - 100 - 2.9=100 HD3 LYS 62 + HG2 LYS 62 OK 68 68 - 100 - 3.0=100 HD3 LYS 62 + HG3 LYS 62 OK 68 68 - 100 - 3.0=100 HD3 LYS 60 + HG3 LYS 60 OK 64 64 - 100 - 2.9=100 HD3 LYS 60 + HG2 LYS 60 OK 64 64 - 100 - 2.9=100 Peak 2022 from cnoeabs.peaks (1.69, 1.43, 24.82 ppm; 3.09 A): 10 out of 10 assignments used, quality = 1.00: * HD3 LYS 39 + HG2 LYS 39 OK 100 100 - 100 - 3.0=100 HD2 LYS 39 + HG2 LYS 39 OK 100 100 - 100 - 3.0=100 HD2 LYS 62 + HG3 LYS 62 OK 70 70 - 100 - 3.0=100 HD2 LYS 62 + HG2 LYS 62 OK 70 70 - 100 - 3.0=100 HD2 LYS 60 + HG3 LYS 60 OK 69 69 - 100 - 2.9=100 HD2 LYS 60 + HG2 LYS 60 OK 68 68 - 100 - 2.9=100 HD3 LYS 62 + HG2 LYS 62 OK 68 68 - 100 - 3.0=100 HD3 LYS 62 + HG3 LYS 62 OK 68 68 - 100 - 3.0=100 HD3 LYS 60 + HG3 LYS 60 OK 64 64 - 100 - 2.9=100 HD3 LYS 60 + HG2 LYS 60 OK 64 64 - 100 - 2.9=100 Peak 2023 from cnoeabs.peaks (2.98, 1.43, 24.82 ppm; 3.82 A): 6 out of 6 assignments used, quality = 1.00: HE3 LYS 39 + HG2 LYS 39 OK 100 100 - 100 - 3.6=100 * HE2 LYS 39 + HG2 LYS 39 OK 100 100 - 100 - 3.6=100 HE2 LYS 62 + HG3 LYS 62 OK 99 99 - 100 - 3.7=100 HE2 LYS 62 + HG2 LYS 62 OK 99 99 - 100 - 3.7=100 HE3 LYS 62 + HG3 LYS 62 OK 98 98 - 100 - 3.7=100 HE3 LYS 62 + HG2 LYS 62 OK 98 98 - 100 - 3.7=100 Peak 2024 from cnoeabs.peaks (2.98, 1.43, 24.82 ppm; 3.82 A): 6 out of 6 assignments used, quality = 1.00: * HE3 LYS 39 + HG2 LYS 39 OK 100 100 - 100 - 3.6=100 HE2 LYS 39 + HG2 LYS 39 OK 100 100 - 100 - 3.6=100 HE2 LYS 62 + HG3 LYS 62 OK 99 99 - 100 - 3.7=100 HE2 LYS 62 + HG2 LYS 62 OK 99 99 - 100 - 3.7=100 HE3 LYS 62 + HG3 LYS 62 OK 98 98 - 100 - 3.7=100 HE3 LYS 62 + HG2 LYS 62 OK 98 98 - 100 - 3.7=100 Peak 2025 from cnoeabs.peaks (7.67, 1.54, 24.82 ppm; 4.25 A): 1 out of 5 assignments used, quality = 0.95: * H LYS 39 + HG3 LYS 39 OK 95 100 - 95 - 4.9=65, 3.0/2026=21...(18) H LYS 58 - HG3 LYS 39 OK 24 100 - 24 - 789/1.8=4, 791=4...(9) H VAL 48 - HG3 LYS 39 OK 16 98 - 16 - 165/5.0=4, 2015/1.8=2...(6) HE22 GLN 47 - HG3 LYS 39 OK 12 99 - 12 - 2015/1.8=2, ~4557=2...(5) HE22 GLN 26 - HG3 LYS 39 lone 2 60 - 4 - Peak 2026 from cnoeabs.peaks (4.08, 1.54, 24.82 ppm; 3.79 A): 1 out of 8 assignments used, quality = 0.99: * HA LYS 39 + HG3 LYS 39 OK 99 100 - 99 - 3.9=93, 1989/1.8=18...(24) HA LEU 37 - HG3 LYS 39 OK 19 78 - 25 - 3758/5.0=6, 3.6/159=5...(5) HA LYS 58 - HG3 LYS 39 OK 11 68 - 16 - 3.0/2025=4, 2829=2...(4) HA ARG 56 - HG3 LYS 39 lone 9 100 - 9 - 3843/4.9=2, 2742/1.8=2 HA GLU 33 - HG3 LYS 39 lone 8 97 - 8 - 1990=2, 1989/1.8=1 HA ARG 21 - HG3 LYS 39 lone 8 97 - 9 - 3843/4.9=2, 3.6/3484=2...(4) HB THR 46 - HG3 LYS 39 lone 4 78 - 6 - ~4537=1 HA SER 24 - HG3 LYS 39 lone 2 100 - 2 - Peak 2027 from cnoeabs.peaks (1.92, 1.54, 24.82 ppm; 3.54 A): 2 out of 2 assignments used, quality = 1.00: * HB2 LYS 39 + HG3 LYS 39 OK 100 100 - 100 - 2.9=100 HB3 LYS 39 + HG3 LYS 39 OK 100 100 - 100 - 2.9=100 Peak 2028 from cnoeabs.peaks (1.92, 1.54, 24.82 ppm; 3.54 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 39 + HG3 LYS 39 OK 100 100 - 100 - 2.9=100 HB2 LYS 39 + HG3 LYS 39 OK 100 100 - 100 - 2.9=100 Peak 2029 from cnoeabs.peaks (1.43, 1.54, 24.82 ppm; 2.44 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 39 + HG3 LYS 39 OK 100 100 - 100 - 1.8=100 Peak 2030 from cnoeabs.peaks (1.54, 1.54, 24.82 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 39 + HG3 LYS 39 OK 100 100 - 100 Peak 2031 from cnoeabs.peaks (1.69, 1.54, 24.82 ppm; 2.81 A): 2 out of 13 assignments used, quality = 0.99: * HD2 LYS 39 + HG3 LYS 39 OK 92 100 - 92 - 3.0=86, 1.8/2040=14...(18) HD3 LYS 39 + HG3 LYS 39 OK 92 100 - 92 - 3.0=86, 1.8/2040=14...(18) HD3 LYS 49 - HG3 LYS 39 lone 6 99 - 6 - HD2 LYS 49 - HG3 LYS 39 lone 6 98 - 6 - HG3 LYS 22 - HG3 LYS 39 lone 3 90 - 3 - HD2 LYS 60 - HG3 LYS 39 lone 3 78 - 3 - HD2 LYS 62 - HG3 LYS 39 lone 2 73 - 3 - HD3 LYS 60 - HG3 LYS 39 lone 2 73 - 3 - HD3 LYS 62 - HG3 LYS 39 lone 2 71 - 3 - HG2 LYS 22 - HG3 LYS 39 lone 2 83 - 3 - HG13 ILE 50 - HG3 LYS 39 lone 2 100 - 2 - HB2 ARG 56 - HG3 LYS 39 lone 2 65 - 3 - HD2 LYS 42 - HG3 LYS 39 lone 1 68 - 2 - Peak 2032 from cnoeabs.peaks (1.69, 1.54, 24.82 ppm; 2.81 A): 2 out of 13 assignments used, quality = 0.99: HD2 LYS 39 + HG3 LYS 39 OK 92 100 - 92 - 3.0=86, 1.8/2040=14...(18) * HD3 LYS 39 + HG3 LYS 39 OK 92 100 - 92 - 3.0=86, 1.8/2040=14...(18) HD3 LYS 49 - HG3 LYS 39 lone 6 99 - 6 - HD2 LYS 49 - HG3 LYS 39 lone 6 98 - 6 - HG3 LYS 22 - HG3 LYS 39 lone 3 90 - 3 - HD2 LYS 60 - HG3 LYS 39 lone 3 78 - 3 - HD2 LYS 62 - HG3 LYS 39 lone 2 73 - 3 - HD3 LYS 60 - HG3 LYS 39 lone 2 73 - 3 - HD3 LYS 62 - HG3 LYS 39 lone 2 71 - 3 - HG2 LYS 22 - HG3 LYS 39 lone 2 83 - 3 - HG13 ILE 50 - HG3 LYS 39 lone 2 100 - 2 - HB2 ARG 56 - HG3 LYS 39 lone 2 65 - 3 - HD2 LYS 42 - HG3 LYS 39 lone 1 68 - 2 - Peak 2033 from cnoeabs.peaks (2.98, 1.54, 24.82 ppm; 4.26 A): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 39 + HG3 LYS 39 OK 100 100 - 100 - 3.6=100 * HE2 LYS 39 + HG3 LYS 39 OK 100 100 - 100 - 3.6=100 Peak 2034 from cnoeabs.peaks (2.98, 1.54, 24.82 ppm; 4.26 A): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 39 + HG3 LYS 39 OK 100 100 - 100 - 3.6=100 HE2 LYS 39 + HG3 LYS 39 OK 100 100 - 100 - 3.6=100 Peak 2035 from cnoeabs.peaks (7.67, 1.69, 28.78 ppm; 4.49 A): 2 out of 15 assignments used, quality = 0.99: * H LYS 39 + HD2 LYS 39 OK 90 100 - 90 - 6.2=39, 2025/3.0=22...(18) H LYS 39 + HD3 LYS 39 OK 90 100 - 90 - 6.2=39, 2025/3.0=22...(18) HE22 GLN 47 - HG13 ILE 50 OK 24 64 - 37 - 4560/3.0=12, ~4599=9...(5) H LYS 58 - HD3 LYS 39 OK 22 100 - 22 - 2025/3.0=6, 2015/3.0=4...(8) H LYS 58 - HD2 LYS 39 OK 22 100 - 22 - 2025/3.0=6, 2015/3.0=4...(8) H VAL 48 - HD3 LYS 39 OK 13 98 - 13 - 2025/3.0=4, 2015/3.0=2...(5) H VAL 48 - HD2 LYS 39 OK 13 98 - 13 - 2025/3.0=4, 2015/3.0=2...(5) HE22 GLN 47 - HD3 LYS 39 lone 9 99 - 9 - 2025/3.0=3, 2015/3.0=2...(4) HE22 GLN 47 - HD2 LYS 39 lone 9 99 - 9 - 2025/3.0=3, 2015/3.0=2...(4) H LYS 39 - HG13 ILE 50 lone 6 66 - 8 - 655=1 H VAL 48 - HG13 ILE 50 lone 5 62 - 8 - 4.6/722=3, ~4569=2, 1016/4532=1 HE22 GLN 26 - HD2 LYS 39 lone 2 60 - 3 - HE22 GLN 26 - HD3 LYS 39 lone 2 60 - 3 - H LYS 58 - HG13 ILE 50 lone 1 65 - 2 - HE22 GLN 26 - HG13 ILE 50 lone 1 33 - 2 - Peak 2036 from cnoeabs.peaks (4.08, 1.69, 28.78 ppm; 4.07 A): 2 out of 24 assignments used, quality = 0.99: HA LYS 39 + HD3 LYS 39 OK 92 100 - 92 - 5.2=48, 2026/3.0=20...(26) * HA LYS 39 + HD2 LYS 39 OK 92 100 - 92 - 5.2=48, 2026/3.0=20...(26) HB THR 46 - HG13 ILE 50 OK 16 45 - 37 - ~4538=25, 2.1/4537=10 HA LYS 58 - HD2 LYS 39 OK 11 68 - 17 - ~2025=2, 2026/3.0=2...(9) HA LYS 58 - HD3 LYS 39 OK 11 68 - 17 - ~2025=2, 2026/3.0=2...(9) HA LEU 37 - HD3 LYS 39 OK 11 78 - 15 - 2026/3.0=4, 3757/6.2=4...(4) HA LEU 37 - HD2 LYS 39 OK 11 78 - 15 - 2026/3.0=4, 3757/6.2=4...(4) HB THR 46 - HD2 LYS 39 poor 10 78 - 12 - 2.1/4537=3, ~4537=2...(5) HB THR 46 - HD3 LYS 39 poor 10 78 - 12 - 2.1/4537=3, ~4537=2...(5) HA ARG 21 - HG13 ILE 50 poor 10 60 - 16 - ~4135=5, 4838/1.8=5...(4) HA GLU 33 - HD2 LYS 39 lone 9 97 - 9 - 2026/3.0=2, 1991=1...(4) HA GLU 33 - HD3 LYS 39 lone 9 97 - 9 - 2026/3.0=2, 1991=1...(4) HA ARG 56 - HD3 LYS 39 lone 9 100 - 8 - 2026/3.0=2, 3843/6.2=2 HA ARG 56 - HD2 LYS 39 lone 9 100 - 8 - 2026/3.0=2, 3843/6.2=2 HA ARG 21 - HD2 LYS 39 lone 7 97 - 8 - 2026/3.0=2, 3843/6.2=1 HA ARG 21 - HD3 LYS 39 lone 7 97 - 8 - 2026/3.0=2, 3843/6.2=1 HA LEU 37 - HG13 ILE 50 poor 5 45 - 10 - 1942/3.2=3, ~643=2, ~1949=1 HA LYS 39 - HG13 ILE 50 lone 4 66 - 6 - HA SER 24 - HG13 ILE 50 lone 2 65 - 3 - HA SER 24 - HD3 LYS 39 lone 2 100 - 2 - HA SER 24 - HD2 LYS 39 lone 2 100 - 2 - HA ARG 56 - HG13 ILE 50 lone 2 66 - 2 - HA GLU 33 - HG13 ILE 50 lone 1 61 - 2 - HA LYS 58 - HG13 ILE 50 lone 0 38 - 1 - Peak 2037 from cnoeabs.peaks (1.92, 1.69, 28.78 ppm; 3.06 A): 1 out of 1 assignment used, quality = 0.57: HB ILE 50 + HG13 ILE 50 OK 57 57 - 100 - 3.0=100 Reference assignment not found: HB2 LYS 39 - HD2 LYS 39 Peak 2038 from cnoeabs.peaks (1.92, 1.69, 28.78 ppm; 3.06 A): 1 out of 1 assignment used, quality = 0.59: HB ILE 50 + HG13 ILE 50 OK 59 59 - 100 - 3.0=100 Reference assignment not found: HB3 LYS 39 - HD2 LYS 39 Peak 2039 from cnoeabs.peaks (1.43, 1.69, 28.78 ppm; 3.03 A): 2 out of 2 assignments used, quality = 1.00: HG2 LYS 39 + HD3 LYS 39 OK 100 100 - 100 - 3.0=100 * HG2 LYS 39 + HD2 LYS 39 OK 100 100 - 100 - 3.0=100 Peak 2040 from cnoeabs.peaks (1.54, 1.69, 28.78 ppm; 2.63 A): 2 out of 21 assignments used, quality = 0.97: * HG3 LYS 39 + HD2 LYS 39 OK 82 100 - 82 - 3.0=71, 2031/1.8=12...(17) HG3 LYS 39 + HD3 LYS 39 OK 82 100 - 82 - 3.0=71, 2031/1.8=12...(17) HG2 LYS 49 - HG13 ILE 50 poor 8 38 - 21 - ~4609=4, ~4608=3...(9) HG2 LYS 49 - HD2 LYS 39 lone 5 68 - 7 - HG2 LYS 49 - HD3 LYS 39 lone 5 68 - 7 - HD2 LYS 58 - HD2 LYS 39 lone 3 100 - 3 - HD3 LYS 58 - HD3 LYS 39 lone 3 100 - 3 - HD3 LYS 58 - HD2 LYS 39 lone 3 100 - 3 - HD2 LYS 58 - HD3 LYS 39 lone 3 100 - 3 - HG LEU 37 - HD2 LYS 39 lone 3 92 - 3 - HG LEU 37 - HD3 LYS 39 lone 3 92 - 3 - HG LEU 37 - HG13 ILE 50 lone 1 55 - 2 - ~2509=1 HG3 LYS 39 - HG13 ILE 50 lone 1 66 - 2 - HB3 LYS 27 - HD3 LYS 39 lone 1 92 - 1 - HB3 LYS 27 - HD2 LYS 39 lone 1 92 - 1 - QB ALA 31 - HD2 LYS 39 lone 0 95 - 1 - QB ALA 31 - HD3 LYS 39 lone 0 95 - 1 - QB ALA 31 - HG13 ILE 50 lone 0 58 - 1 - HD3 LYS 58 - HG13 ILE 50 lone 0 65 - 0 - HD2 LYS 58 - HG13 ILE 50 lone 0 65 - 0 - HB3 LYS 27 - HG13 ILE 50 lone 0 55 - 0 - Peak 2041 from cnoeabs.peaks (1.69, 1.69, 28.78 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HD3 LYS 39 + HD3 LYS 39 OK 100 100 - 100 * HD2 LYS 39 + HD2 LYS 39 OK 100 100 - 100 HG13 ILE 50 + HG13 ILE 50 OK 66 66 - 100 Peak 2042 from cnoeabs.peaks (1.69, 1.69, 28.78 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HD3 LYS 39 + HD3 LYS 39 OK 100 100 - 100 HD2 LYS 39 + HD2 LYS 39 OK 100 100 - 100 HG13 ILE 50 + HG13 ILE 50 OK 66 66 - 100 Reference assignment not found: HD3 LYS 39 - HD2 LYS 39 Peak 2043 from cnoeabs.peaks (2.98, 1.69, 28.78 ppm; 3.11 A): 4 out of 4 assignments used, quality = 1.00: HE3 LYS 39 + HD2 LYS 39 OK 100 100 - 100 - 3.0=100 HE3 LYS 39 + HD3 LYS 39 OK 100 100 - 100 - 3.0=100 * HE2 LYS 39 + HD2 LYS 39 OK 100 100 - 100 - 3.0=100 HE2 LYS 39 + HD3 LYS 39 OK 100 100 - 100 - 3.0=100 Peak 2044 from cnoeabs.peaks (2.98, 1.69, 28.78 ppm; 3.11 A): 4 out of 4 assignments used, quality = 1.00: * HE3 LYS 39 + HD2 LYS 39 OK 100 100 - 100 - 3.0=100 HE3 LYS 39 + HD3 LYS 39 OK 100 100 - 100 - 3.0=100 HE2 LYS 39 + HD2 LYS 39 OK 100 100 - 100 - 3.0=100 HE2 LYS 39 + HD3 LYS 39 OK 100 100 - 100 - 3.0=100 Peak 2045 from cnoeabs.peaks (7.67, 1.69, 28.78 ppm; 4.49 A): 2 out of 15 assignments used, quality = 0.99: H LYS 39 + HD2 LYS 39 OK 90 100 - 90 - 6.2=39, 2025/3.0=22...(18) * H LYS 39 + HD3 LYS 39 OK 90 100 - 90 - 6.2=39, 2025/3.0=22...(18) HE22 GLN 47 - HG13 ILE 50 OK 24 64 - 37 - 4560/3.0=12, ~4599=9...(5) H LYS 58 - HD3 LYS 39 OK 22 100 - 22 - 2025/3.0=6, 2015/3.0=4...(8) H LYS 58 - HD2 LYS 39 OK 22 100 - 22 - 2025/3.0=6, 2015/3.0=4...(8) H VAL 48 - HD3 LYS 39 OK 13 98 - 13 - 2025/3.0=4, 2015/3.0=2...(5) H VAL 48 - HD2 LYS 39 OK 13 98 - 13 - 2025/3.0=4, 2015/3.0=2...(5) HE22 GLN 47 - HD3 LYS 39 lone 9 99 - 9 - 2025/3.0=3, 2015/3.0=2...(4) HE22 GLN 47 - HD2 LYS 39 lone 9 99 - 9 - 2025/3.0=3, 2015/3.0=2...(4) H LYS 39 - HG13 ILE 50 lone 6 66 - 8 - 655=1 H VAL 48 - HG13 ILE 50 lone 5 62 - 8 - 4.6/722=3, ~4569=2, 1016/4532=1 HE22 GLN 26 - HD2 LYS 39 lone 2 60 - 3 - HE22 GLN 26 - HD3 LYS 39 lone 2 60 - 3 - H LYS 58 - HG13 ILE 50 lone 1 65 - 2 - HE22 GLN 26 - HG13 ILE 50 lone 1 33 - 2 - Peak 2046 from cnoeabs.peaks (4.08, 1.69, 28.78 ppm; 4.07 A): 2 out of 24 assignments used, quality = 0.99: * HA LYS 39 + HD3 LYS 39 OK 92 100 - 92 - 5.2=48, 2026/3.0=20...(26) HA LYS 39 + HD2 LYS 39 OK 92 100 - 92 - 5.2=48, 2026/3.0=20...(26) HB THR 46 - HG13 ILE 50 OK 16 45 - 37 - ~4538=25, 2.1/4537=10 HA LYS 58 - HD2 LYS 39 OK 11 68 - 17 - ~2025=2, 2026/3.0=2...(9) HA LYS 58 - HD3 LYS 39 OK 11 68 - 17 - ~2025=2, 2026/3.0=2...(9) HA LEU 37 - HD3 LYS 39 OK 11 78 - 15 - 2026/3.0=4, 3757/6.2=4...(4) HA LEU 37 - HD2 LYS 39 OK 11 78 - 15 - 2026/3.0=4, 3757/6.2=4...(4) HB THR 46 - HD2 LYS 39 poor 10 78 - 12 - 2.1/4537=3, ~4537=2...(5) HB THR 46 - HD3 LYS 39 poor 10 78 - 12 - 2.1/4537=3, ~4537=2...(5) HA ARG 21 - HG13 ILE 50 poor 10 60 - 16 - ~4135=5, 4838/1.8=5...(4) HA GLU 33 - HD2 LYS 39 lone 9 97 - 9 - 2026/3.0=2, 1991=1...(4) HA GLU 33 - HD3 LYS 39 lone 9 97 - 9 - 2026/3.0=2, 1991=1...(4) HA ARG 56 - HD3 LYS 39 lone 9 100 - 8 - 2026/3.0=2, 3843/6.2=2 HA ARG 56 - HD2 LYS 39 lone 9 100 - 8 - 2026/3.0=2, 3843/6.2=2 HA ARG 21 - HD2 LYS 39 lone 7 97 - 8 - 2026/3.0=2, 3843/6.2=1 HA ARG 21 - HD3 LYS 39 lone 7 97 - 8 - 2026/3.0=2, 3843/6.2=1 HA LEU 37 - HG13 ILE 50 poor 5 45 - 10 - 1942/3.2=3, ~643=2, ~1949=1 HA LYS 39 - HG13 ILE 50 lone 4 66 - 6 - HA SER 24 - HG13 ILE 50 lone 2 65 - 3 - HA SER 24 - HD3 LYS 39 lone 2 100 - 2 - HA SER 24 - HD2 LYS 39 lone 2 100 - 2 - HA ARG 56 - HG13 ILE 50 lone 2 66 - 2 - HA GLU 33 - HG13 ILE 50 lone 1 61 - 2 - HA LYS 58 - HG13 ILE 50 lone 0 38 - 1 - Peak 2047 from cnoeabs.peaks (1.92, 1.69, 28.78 ppm; 3.06 A): 1 out of 1 assignment used, quality = 0.57: HB ILE 50 + HG13 ILE 50 OK 57 57 - 100 - 3.0=100 Reference assignment not found: HB2 LYS 39 - HD3 LYS 39 Peak 2048 from cnoeabs.peaks (1.92, 1.69, 28.78 ppm; 3.06 A): 1 out of 1 assignment used, quality = 0.59: HB ILE 50 + HG13 ILE 50 OK 59 59 - 100 - 3.0=100 Reference assignment not found: HB3 LYS 39 - HD3 LYS 39 Peak 2049 from cnoeabs.peaks (1.43, 1.69, 28.78 ppm; 3.03 A): 2 out of 2 assignments used, quality = 1.00: * HG2 LYS 39 + HD3 LYS 39 OK 100 100 - 100 - 3.0=100 HG2 LYS 39 + HD2 LYS 39 OK 100 100 - 100 - 3.0=100 Peak 2050 from cnoeabs.peaks (1.54, 1.69, 28.78 ppm; 2.63 A): 2 out of 21 assignments used, quality = 0.97: HG3 LYS 39 + HD2 LYS 39 OK 82 100 - 82 - 3.0=71, 2031/1.8=12...(17) * HG3 LYS 39 + HD3 LYS 39 OK 82 100 - 82 - 3.0=71, 2031/1.8=12...(17) HG2 LYS 49 - HG13 ILE 50 poor 8 38 - 21 - ~4609=4, ~4608=3...(9) HG2 LYS 49 - HD2 LYS 39 lone 5 68 - 7 - HG2 LYS 49 - HD3 LYS 39 lone 5 68 - 7 - HD2 LYS 58 - HD2 LYS 39 lone 3 100 - 3 - HD3 LYS 58 - HD3 LYS 39 lone 3 100 - 3 - HD3 LYS 58 - HD2 LYS 39 lone 3 100 - 3 - HD2 LYS 58 - HD3 LYS 39 lone 3 100 - 3 - HG LEU 37 - HD2 LYS 39 lone 3 92 - 3 - HG LEU 37 - HD3 LYS 39 lone 3 92 - 3 - HG LEU 37 - HG13 ILE 50 lone 1 55 - 2 - ~2509=1 HG3 LYS 39 - HG13 ILE 50 lone 1 66 - 2 - HB3 LYS 27 - HD3 LYS 39 lone 1 92 - 1 - HB3 LYS 27 - HD2 LYS 39 lone 1 92 - 1 - QB ALA 31 - HD2 LYS 39 lone 0 95 - 1 - QB ALA 31 - HD3 LYS 39 lone 0 95 - 1 - QB ALA 31 - HG13 ILE 50 lone 0 58 - 1 - HD3 LYS 58 - HG13 ILE 50 lone 0 65 - 0 - HD2 LYS 58 - HG13 ILE 50 lone 0 65 - 0 - HB3 LYS 27 - HG13 ILE 50 lone 0 55 - 0 - Peak 2051 from cnoeabs.peaks (1.69, 1.69, 28.78 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HD3 LYS 39 + HD3 LYS 39 OK 100 100 - 100 HD2 LYS 39 + HD2 LYS 39 OK 100 100 - 100 HG13 ILE 50 + HG13 ILE 50 OK 66 66 - 100 Reference assignment not found: HD2 LYS 39 - HD3 LYS 39 Peak 2052 from cnoeabs.peaks (1.69, 1.69, 28.78 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HD3 LYS 39 + HD3 LYS 39 OK 100 100 - 100 HD2 LYS 39 + HD2 LYS 39 OK 100 100 - 100 HG13 ILE 50 + HG13 ILE 50 OK 66 66 - 100 Peak 2053 from cnoeabs.peaks (2.98, 1.69, 28.78 ppm; 3.11 A): 4 out of 4 assignments used, quality = 1.00: HE3 LYS 39 + HD2 LYS 39 OK 100 100 - 100 - 3.0=100 HE3 LYS 39 + HD3 LYS 39 OK 100 100 - 100 - 3.0=100 HE2 LYS 39 + HD2 LYS 39 OK 100 100 - 100 - 3.0=100 * HE2 LYS 39 + HD3 LYS 39 OK 100 100 - 100 - 3.0=100 Peak 2054 from cnoeabs.peaks (2.98, 1.69, 28.78 ppm; 3.11 A): 4 out of 4 assignments used, quality = 1.00: HE3 LYS 39 + HD2 LYS 39 OK 100 100 - 100 - 3.0=100 * HE3 LYS 39 + HD3 LYS 39 OK 100 100 - 100 - 3.0=100 HE2 LYS 39 + HD2 LYS 39 OK 100 100 - 100 - 3.0=100 HE2 LYS 39 + HD3 LYS 39 OK 100 100 - 100 - 3.0=100 Peak 2056 from cnoeabs.peaks (4.08, 2.98, 41.78 ppm; 4.91 A): 2 out of 64 assignments used, quality = 0.99: HA LYS 39 + HE3 LYS 39 OK 91 100 - 91 - 6.1=51, 2026/3.6=23...(19) * HA LYS 39 + HE2 LYS 39 OK 91 100 - 91 - 6.1=51, 2026/3.6=23...(19) HB THR 46 - HE3 LYS 49 OK 16 39 - 42 - 2.1/4536=11, 3.0/4533=10...(6) HB THR 46 - HE2 LYS 49 OK 16 39 - 42 - 2.1/4536=11, 3.0/4533=10...(6) HB THR 46 - HE3 LYS 39 OK 13 78 - 17 - 2.1/4536=3, ~4536=3...(9) HB THR 46 - HE2 LYS 39 OK 13 78 - 17 - 2.1/4536=3, ~4536=3...(9) HA LEU 37 - HE2 LYS 39 OK 12 78 - 16 - 2026/3.6=5, 3757/7.4=4...(5) HA LEU 37 - HE3 LYS 39 OK 12 78 - 16 - 2026/3.6=5, 3757/7.4=4...(5) HA ARG 56 - HE3 LYS 39 lone 9 100 - 9 - 2026/3.6=2, 3843/7.4=2...(5) HA ARG 56 - HE2 LYS 39 lone 9 100 - 9 - 2026/3.6=2, 3843/7.4=2...(5) HA GLU 33 - HE2 LYS 39 lone 9 97 - 9 - 2026/3.6=2, 1989/3.6=1...(4) HA GLU 33 - HE3 LYS 39 lone 9 97 - 9 - 2026/3.6=2, 1989/3.6=1...(4) HA LYS 39 - HE2 LYS 49 poor 8 59 - 14 - 1992/3.0=2, 1991/3.0=2...(6) HA LYS 39 - HE3 LYS 49 poor 8 59 - 14 - 1992/3.0=2, 1991/3.0=2...(6) HA ARG 21 - HE2 LYS 39 lone 8 97 - 8 - 2026/3.6=2, 3843/7.4=2 HA ARG 21 - HE3 LYS 39 lone 8 97 - 8 - 2026/3.6=2, 3843/7.4=2 HA LYS 39 - HE2 LYS 62 lone 7 70 - 10 - 1989/3.7=1, 1989/3.7=1 HA LYS 39 - HE3 LYS 62 lone 7 68 - 10 - 1989/3.7=1, 1989/3.7=1 HA LYS 58 - HE2 LYS 39 poor 7 68 - 10 - 2026/3.6=3, ~2045=1...(5) HA LYS 58 - HE3 LYS 39 poor 7 68 - 10 - 2026/3.6=3, ~2045=1...(5) HA LYS 39 - HE2 LYS 60 lone 6 59 - 10 - 1989/3.9=1, 1989/3.9=1 HA LYS 39 - HE3 LYS 60 lone 6 59 - 10 - 1989/3.9=1, 1989/3.9=1 HB THR 46 - HE2 LYS 62 lone 4 48 - 8 - 2.1/4536=2, ~4536=1, 3.0/4533=1 HB THR 46 - HE3 LYS 62 lone 4 46 - 8 - 2.1/4536=1, ~4536=1, 3.0/4533=1 HB THR 46 - HE2 LYS 60 lone 3 39 - 8 - 2.1/4536=2, ~4536=2, 3.0/4533=1 HB THR 46 - HE3 LYS 60 lone 3 39 - 8 - 2.1/4536=2, ~4536=2, 3.0/4533=1 HA LEU 37 - HE3 LYS 49 lone 3 39 - 7 - 3.8/4383=2 HA LEU 37 - HE2 LYS 49 lone 3 39 - 7 - 3.8/4383=2 HA SER 24 - HE3 LYS 39 lone 3 100 - 3 - HA SER 24 - HE2 LYS 39 lone 3 100 - 3 - HA GLU 33 - HE2 LYS 49 lone 3 54 - 5 - HA GLU 33 - HE3 LYS 49 lone 3 54 - 5 - HA GLU 33 - HE2 LYS 62 lone 2 65 - 3 - HA ARG 56 - HE2 LYS 62 lone 2 70 - 3 - HA GLU 33 - HE3 LYS 62 lone 2 63 - 3 - HA ARG 56 - HE3 LYS 62 lone 2 68 - 3 - HA LEU 37 - HE2 LYS 62 lone 2 48 - 3 - HA GLU 33 - HE2 LYS 60 lone 2 54 - 3 - HA LEU 37 - HE3 LYS 62 lone 2 46 - 3 - HA GLU 33 - HE3 LYS 60 lone 2 54 - 3 - HA ARG 21 - HE2 LYS 62 lone 1 64 - 2 - HA ARG 56 - HE2 LYS 60 lone 1 59 - 2 - HA ARG 56 - HE3 LYS 60 lone 1 58 - 2 - HA ARG 21 - HE3 LYS 62 lone 1 62 - 2 - HA SER 24 - HE2 LYS 62 lone 1 70 - 2 - HA LEU 37 - HE2 LYS 60 lone 1 39 - 3 - HA LEU 37 - HE3 LYS 60 lone 1 39 - 3 - HA SER 24 - HE3 LYS 62 lone 1 67 - 2 - HA ARG 21 - HE2 LYS 60 lone 1 53 - 2 - HA ARG 21 - HE3 LYS 60 lone 1 53 - 2 - HA ARG 56 - HE3 LYS 49 lone 1 58 - 2 - HA ARG 56 - HE2 LYS 49 lone 1 58 - 2 - HA LYS 58 - HE2 LYS 62 lone 1 41 - 3 - HA LYS 58 - HE3 LYS 62 lone 1 39 - 3 - HA ARG 21 - HE3 LYS 49 lone 1 53 - 2 - HA ARG 21 - HE2 LYS 49 lone 1 53 - 2 - HA SER 24 - HE2 LYS 60 lone 1 58 - 2 - HA SER 24 - HE3 LYS 60 lone 1 58 - 2 - HA SER 24 - HE3 LYS 49 lone 1 58 - 2 - HA SER 24 - HE2 LYS 49 lone 1 58 - 2 - HA LYS 58 - HE2 LYS 60 lone 1 33 - 3 - HA LYS 58 - HE3 LYS 60 lone 1 33 - 3 - HA LYS 58 - HE2 LYS 49 lone 1 33 - 2 - HA LYS 58 - HE3 LYS 49 lone 1 33 - 2 - Peak 2057 from cnoeabs.peaks (1.92, 2.98, 41.78 ppm; 4.71 A): 4 out of 32 assignments used, quality = 1.00: * HB2 LYS 39 + HE2 LYS 39 OK 98 100 - 98 - 4.9=90, ~2032=10...(34) HB2 LYS 39 + HE3 LYS 39 OK 98 100 - 98 - 4.9=90, ~2032=10...(34) HB3 LYS 39 + HE3 LYS 39 OK 98 100 - 98 - 4.9=90, ~2032=10...(34) HB3 LYS 39 + HE2 LYS 39 OK 98 100 - 98 - 4.9=90, ~2032=10...(34) HB ILE 50 - HE2 LYS 49 OK 20 50 - 40 - 4609/4.8=19, 3.2/4604=9...(5) HB ILE 50 - HE3 LYS 49 OK 20 50 - 40 - 4609/4.8=19, 3.2/4604=9...(5) HB2 LYS 39 - HE2 LYS 49 poor 8 59 - 14 - 3753/6.3=1 HB2 LYS 39 - HE3 LYS 49 poor 8 59 - 14 - 3753/6.3=1 HB3 LYS 39 - HE2 LYS 49 poor 8 58 - 14 - 3755/6.3=1 HB3 LYS 39 - HE3 LYS 49 poor 8 58 - 14 - 3755/6.3=1 HB ILE 50 - HE3 LYS 39 lone 7 93 - 7 - 3.2/4604=2, ~4604=1 HB ILE 50 - HE2 LYS 39 lone 7 93 - 7 - 3.2/4604=2, ~4604=1 HB2 LYS 39 - HE2 LYS 62 lone 6 70 - 9 - HB3 LYS 39 - HE2 LYS 62 lone 6 70 - 9 - HB2 LYS 39 - HE3 LYS 62 lone 6 68 - 9 - HB3 LYS 39 - HE3 LYS 62 lone 6 68 - 9 - HB2 LYS 39 - HE2 LYS 60 lone 5 59 - 8 - HB3 LYS 39 - HE2 LYS 60 lone 5 59 - 8 - HB2 LYS 39 - HE3 LYS 60 lone 5 59 - 8 - HB3 LYS 39 - HE3 LYS 60 lone 5 58 - 8 - HB2 ARG 34 - HE3 LYS 49 lone 3 48 - 6 - HB2 ARG 34 - HE2 LYS 49 lone 3 48 - 6 - HB2 ARG 34 - HE3 LYS 39 lone 3 90 - 3 - HB2 ARG 34 - HE2 LYS 39 lone 3 90 - 3 - HB ILE 50 - HE2 LYS 62 lone 3 61 - 4 - 3.2/4604=1 HB ILE 50 - HE3 LYS 62 lone 3 58 - 4 - 3.2/4604=1 HB ILE 50 - HE2 LYS 60 lone 2 50 - 4 - 3.2/4604=1 HB ILE 50 - HE3 LYS 60 lone 2 50 - 4 - 3.2/4604=1 HB2 ARG 34 - HE2 LYS 62 lone 1 58 - 2 - HB2 ARG 34 - HE3 LYS 62 lone 1 56 - 2 - HB2 ARG 34 - HE2 LYS 60 lone 1 48 - 2 - HB2 ARG 34 - HE3 LYS 60 lone 1 48 - 2 - Peak 2058 from cnoeabs.peaks (1.92, 2.98, 41.78 ppm; 4.71 A): 4 out of 32 assignments used, quality = 1.00: * HB3 LYS 39 + HE2 LYS 39 OK 98 100 - 98 - 4.9=90, ~2032=10...(34) HB3 LYS 39 + HE3 LYS 39 OK 98 100 - 98 - 4.9=90, ~2032=10...(34) HB2 LYS 39 + HE3 LYS 39 OK 98 100 - 98 - 4.9=90, ~2032=10...(34) HB2 LYS 39 + HE2 LYS 39 OK 98 100 - 98 - 4.9=90, ~2032=10...(34) HB ILE 50 - HE2 LYS 49 OK 21 52 - 40 - 4609/4.8=19, 3.2/4604=9...(5) HB ILE 50 - HE3 LYS 49 OK 21 52 - 40 - 4609/4.8=19, 3.2/4604=9...(5) HB3 LYS 39 - HE2 LYS 49 poor 8 59 - 14 - 3755/6.3=1 HB3 LYS 39 - HE3 LYS 49 poor 8 59 - 14 - 3755/6.3=1 HB2 LYS 39 - HE2 LYS 49 poor 8 58 - 14 - 3753/6.3=1 HB2 LYS 39 - HE3 LYS 49 poor 8 58 - 14 - 3753/6.3=1 HB ILE 50 - HE2 LYS 39 lone 7 96 - 7 - 3.2/4604=2, ~4604=1 HB ILE 50 - HE3 LYS 39 lone 7 96 - 7 - 3.2/4604=2, ~4604=1 HB3 LYS 39 - HE2 LYS 62 lone 6 70 - 9 - HB2 LYS 39 - HE2 LYS 62 lone 6 70 - 9 - HB3 LYS 39 - HE3 LYS 62 lone 6 68 - 9 - HB2 LYS 39 - HE3 LYS 62 lone 6 68 - 9 - HB3 LYS 39 - HE2 LYS 60 lone 5 59 - 8 - HB2 LYS 39 - HE2 LYS 60 lone 5 59 - 8 - HB3 LYS 39 - HE3 LYS 60 lone 5 59 - 8 - HB2 LYS 39 - HE3 LYS 60 lone 5 58 - 8 - HB2 ARG 34 - HE2 LYS 49 lone 3 50 - 6 - HB2 ARG 34 - HE3 LYS 49 lone 3 50 - 6 - HB ILE 50 - HE2 LYS 62 lone 3 63 - 4 - 3.2/4604=1 HB2 ARG 34 - HE3 LYS 39 lone 3 93 - 3 - HB2 ARG 34 - HE2 LYS 39 lone 3 93 - 3 - HB ILE 50 - HE3 LYS 62 lone 3 61 - 4 - 3.2/4604=1 HB ILE 50 - HE2 LYS 60 lone 2 52 - 4 - 3.2/4604=1 HB ILE 50 - HE3 LYS 60 lone 2 52 - 4 - 3.2/4604=1 HB2 ARG 34 - HE2 LYS 62 lone 1 61 - 2 - HB2 ARG 34 - HE3 LYS 62 lone 1 58 - 2 - HB2 ARG 34 - HE2 LYS 60 lone 1 50 - 2 - HB2 ARG 34 - HE3 LYS 60 lone 1 50 - 2 - Peak 2059 from cnoeabs.peaks (1.43, 2.98, 41.78 ppm; 4.05 A): 10 out of 10 assignments used, quality = 1.00: HG2 LYS 39 + HE3 LYS 39 OK 100 100 - 100 - 3.6=100 * HG2 LYS 39 + HE2 LYS 39 OK 100 100 - 100 - 3.6=100 HG3 LYS 62 + HE2 LYS 62 OK 70 70 - 100 - 3.7=100 HG2 LYS 62 + HE2 LYS 62 OK 70 70 - 100 - 3.7=100 HG2 LYS 62 + HE3 LYS 62 OK 68 68 - 100 - 3.7=100 HG3 LYS 62 + HE3 LYS 62 OK 68 68 - 100 - 3.7=100 HG3 LYS 60 + HE2 LYS 60 OK 59 59 - 100 - 3.9=100 HG3 LYS 60 + HE3 LYS 60 OK 58 58 - 100 - 3.9=100 HG2 LYS 60 + HE2 LYS 60 OK 58 58 - 100 - 3.9=100 HG2 LYS 60 + HE3 LYS 60 OK 58 58 - 100 - 3.9=100 Peak 2060 from cnoeabs.peaks (1.54, 2.98, 41.78 ppm; 4.17 A): 2 out of 4 assignments used, quality = 1.00: HG3 LYS 39 + HE3 LYS 39 OK 100 100 - 100 - 3.6=100 * HG3 LYS 39 + HE2 LYS 39 OK 100 100 - 100 - 3.6=100 HG2 LYS 49 - HE3 LYS 49 OK 33 33 - 100 - 3.6=100 HG2 LYS 49 - HE2 LYS 49 OK 33 33 - 100 - 3.6=100 Peak 2061 from cnoeabs.peaks (1.69, 2.98, 41.78 ppm; 3.14 A): 8 out of 16 assignments used, quality = 1.00: HD3 LYS 39 + HE2 LYS 39 OK 100 100 - 100 - 3.0=100 HD3 LYS 39 + HE3 LYS 39 OK 100 100 - 100 - 3.0=100 * HD2 LYS 39 + HE2 LYS 39 OK 100 100 - 100 - 3.0=100 HD2 LYS 39 + HE3 LYS 39 OK 100 100 - 100 - 3.0=100 HD3 LYS 49 + HE2 LYS 49 OK 56 56 - 100 - 3.0=100 HD3 LYS 49 + HE3 LYS 49 OK 56 56 - 100 - 3.0=100 HD2 LYS 49 + HE2 LYS 49 OK 55 55 - 100 - 3.0=100 HD2 LYS 49 + HE3 LYS 49 OK 55 55 - 100 - 3.0=100 HD2 LYS 62 - HE2 LYS 62 OK 44 44 - 100 - 3.0=100 HD2 LYS 62 - HE3 LYS 62 OK 42 42 - 100 - 3.0=100 HD3 LYS 62 - HE2 LYS 62 OK 42 42 - 100 - 3.0=100 HD3 LYS 62 - HE3 LYS 62 OK 41 41 - 100 - 3.0=100 HD2 LYS 60 - HE2 LYS 60 OK 39 39 - 100 - 3.0=100 HD2 LYS 60 - HE3 LYS 60 OK 39 39 - 100 - 3.0=100 HD3 LYS 60 - HE2 LYS 60 OK 36 36 - 100 - 3.0=100 HD3 LYS 60 - HE3 LYS 60 OK 36 36 - 100 - 3.0=100 Peak 2062 from cnoeabs.peaks (1.69, 2.98, 41.78 ppm; 3.14 A): 8 out of 16 assignments used, quality = 1.00: * HD3 LYS 39 + HE2 LYS 39 OK 100 100 - 100 - 3.0=100 HD3 LYS 39 + HE3 LYS 39 OK 100 100 - 100 - 3.0=100 HD2 LYS 39 + HE2 LYS 39 OK 100 100 - 100 - 3.0=100 HD2 LYS 39 + HE3 LYS 39 OK 100 100 - 100 - 3.0=100 HD3 LYS 49 + HE2 LYS 49 OK 56 56 - 100 - 3.0=100 HD3 LYS 49 + HE3 LYS 49 OK 56 56 - 100 - 3.0=100 HD2 LYS 49 + HE2 LYS 49 OK 55 55 - 100 - 3.0=100 HD2 LYS 49 + HE3 LYS 49 OK 55 55 - 100 - 3.0=100 HD2 LYS 62 - HE2 LYS 62 OK 44 44 - 100 - 3.0=100 HD2 LYS 62 - HE3 LYS 62 OK 42 42 - 100 - 3.0=100 HD3 LYS 62 - HE2 LYS 62 OK 42 42 - 100 - 3.0=100 HD3 LYS 62 - HE3 LYS 62 OK 41 41 - 100 - 3.0=100 HD2 LYS 60 - HE2 LYS 60 OK 39 39 - 100 - 3.0=100 HD2 LYS 60 - HE3 LYS 60 OK 39 39 - 100 - 3.0=100 HD3 LYS 60 - HE2 LYS 60 OK 36 36 - 100 - 3.0=100 HD3 LYS 60 - HE3 LYS 60 OK 36 36 - 100 - 3.0=100 Peak 2063 from cnoeabs.peaks (2.98, 2.98, 41.78 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: HE3 LYS 39 + HE3 LYS 39 OK 100 100 - 100 * HE2 LYS 39 + HE2 LYS 39 OK 100 100 - 100 HE2 LYS 62 + HE2 LYS 62 OK 70 70 - 100 HE3 LYS 62 + HE3 LYS 62 OK 67 67 - 100 HE2 LYS 60 + HE2 LYS 60 OK 59 59 - 100 HE2 LYS 49 + HE2 LYS 49 OK 58 58 - 100 HE3 LYS 49 + HE3 LYS 49 OK 58 58 - 100 HE3 LYS 60 + HE3 LYS 60 OK 58 58 - 100 Peak 2064 from cnoeabs.peaks (2.98, 2.98, 41.78 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: HE3 LYS 39 + HE3 LYS 39 OK 100 100 - 100 HE2 LYS 39 + HE2 LYS 39 OK 100 100 - 100 HE2 LYS 62 + HE2 LYS 62 OK 70 70 - 100 HE3 LYS 62 + HE3 LYS 62 OK 67 67 - 100 HE2 LYS 60 + HE2 LYS 60 OK 59 59 - 100 HE2 LYS 49 + HE2 LYS 49 OK 58 58 - 100 HE3 LYS 49 + HE3 LYS 49 OK 58 58 - 100 HE3 LYS 60 + HE3 LYS 60 OK 58 58 - 100 Reference assignment not found: HE3 LYS 39 - HE2 LYS 39 Peak 2066 from cnoeabs.peaks (4.08, 2.98, 41.78 ppm; 4.91 A): 2 out of 64 assignments used, quality = 0.99: * HA LYS 39 + HE3 LYS 39 OK 91 100 - 91 - 6.1=51, 2026/3.6=23...(19) HA LYS 39 + HE2 LYS 39 OK 91 100 - 91 - 6.1=51, 2026/3.6=23...(19) HB THR 46 - HE3 LYS 49 OK 16 39 - 42 - 2.1/4536=11, 3.0/4533=10...(6) HB THR 46 - HE2 LYS 49 OK 16 39 - 42 - 2.1/4536=11, 3.0/4533=10...(6) HB THR 46 - HE3 LYS 39 OK 13 78 - 17 - 2.1/4536=3, ~4536=3...(9) HB THR 46 - HE2 LYS 39 OK 13 78 - 17 - 2.1/4536=3, ~4536=3...(9) HA LEU 37 - HE2 LYS 39 OK 12 78 - 16 - 2026/3.6=5, 3757/7.4=4...(5) HA LEU 37 - HE3 LYS 39 OK 12 78 - 16 - 2026/3.6=5, 3757/7.4=4...(5) HA ARG 56 - HE3 LYS 39 lone 9 100 - 9 - 2026/3.6=2, 3843/7.4=2...(5) HA ARG 56 - HE2 LYS 39 lone 9 100 - 9 - 2026/3.6=2, 3843/7.4=2...(5) HA GLU 33 - HE2 LYS 39 lone 9 97 - 9 - 2026/3.6=2, 1989/3.6=1...(4) HA GLU 33 - HE3 LYS 39 lone 9 97 - 9 - 2026/3.6=2, 1989/3.6=1...(4) HA LYS 39 - HE2 LYS 49 poor 8 59 - 14 - 1992/3.0=2, 1991/3.0=2...(6) HA LYS 39 - HE3 LYS 49 poor 8 59 - 14 - 1992/3.0=2, 1991/3.0=2...(6) HA ARG 21 - HE2 LYS 39 lone 8 97 - 8 - 2026/3.6=2, 3843/7.4=2 HA ARG 21 - HE3 LYS 39 lone 8 97 - 8 - 2026/3.6=2, 3843/7.4=2 HA LYS 39 - HE2 LYS 62 lone 7 70 - 10 - 1989/3.7=1, 1989/3.7=1 HA LYS 39 - HE3 LYS 62 lone 7 68 - 10 - 1989/3.7=1, 1989/3.7=1 HA LYS 58 - HE2 LYS 39 poor 7 68 - 10 - 2026/3.6=3, ~2045=1...(5) HA LYS 58 - HE3 LYS 39 poor 7 68 - 10 - 2026/3.6=3, ~2045=1...(5) HA LYS 39 - HE2 LYS 60 lone 6 59 - 10 - 1989/3.9=1, 1989/3.9=1 HA LYS 39 - HE3 LYS 60 lone 6 59 - 10 - 1989/3.9=1, 1989/3.9=1 HB THR 46 - HE2 LYS 62 lone 4 48 - 8 - 2.1/4536=2, ~4536=1, 3.0/4533=1 HB THR 46 - HE3 LYS 62 lone 4 46 - 8 - 2.1/4536=1, ~4536=1, 3.0/4533=1 HB THR 46 - HE2 LYS 60 lone 3 39 - 8 - 2.1/4536=2, ~4536=2, 3.0/4533=1 HB THR 46 - HE3 LYS 60 lone 3 39 - 8 - 2.1/4536=2, ~4536=2, 3.0/4533=1 HA LEU 37 - HE3 LYS 49 lone 3 39 - 7 - 3.8/4383=2 HA LEU 37 - HE2 LYS 49 lone 3 39 - 7 - 3.8/4383=2 HA SER 24 - HE3 LYS 39 lone 3 100 - 3 - HA SER 24 - HE2 LYS 39 lone 3 100 - 3 - HA GLU 33 - HE2 LYS 49 lone 3 54 - 5 - HA GLU 33 - HE3 LYS 49 lone 3 54 - 5 - HA GLU 33 - HE2 LYS 62 lone 2 65 - 3 - HA ARG 56 - HE2 LYS 62 lone 2 70 - 3 - HA GLU 33 - HE3 LYS 62 lone 2 63 - 3 - HA ARG 56 - HE3 LYS 62 lone 2 68 - 3 - HA LEU 37 - HE2 LYS 62 lone 2 48 - 3 - HA GLU 33 - HE2 LYS 60 lone 2 54 - 3 - HA LEU 37 - HE3 LYS 62 lone 2 46 - 3 - HA GLU 33 - HE3 LYS 60 lone 2 54 - 3 - HA ARG 21 - HE2 LYS 62 lone 1 64 - 2 - HA ARG 56 - HE2 LYS 60 lone 1 59 - 2 - HA ARG 56 - HE3 LYS 60 lone 1 58 - 2 - HA ARG 21 - HE3 LYS 62 lone 1 62 - 2 - HA SER 24 - HE2 LYS 62 lone 1 70 - 2 - HA LEU 37 - HE2 LYS 60 lone 1 39 - 3 - HA LEU 37 - HE3 LYS 60 lone 1 39 - 3 - HA SER 24 - HE3 LYS 62 lone 1 67 - 2 - HA ARG 21 - HE2 LYS 60 lone 1 53 - 2 - HA ARG 21 - HE3 LYS 60 lone 1 53 - 2 - HA ARG 56 - HE3 LYS 49 lone 1 58 - 2 - HA ARG 56 - HE2 LYS 49 lone 1 58 - 2 - HA LYS 58 - HE2 LYS 62 lone 1 41 - 3 - HA LYS 58 - HE3 LYS 62 lone 1 39 - 3 - HA ARG 21 - HE3 LYS 49 lone 1 53 - 2 - HA ARG 21 - HE2 LYS 49 lone 1 53 - 2 - HA SER 24 - HE2 LYS 60 lone 1 58 - 2 - HA SER 24 - HE3 LYS 60 lone 1 58 - 2 - HA SER 24 - HE3 LYS 49 lone 1 58 - 2 - HA SER 24 - HE2 LYS 49 lone 1 58 - 2 - HA LYS 58 - HE2 LYS 60 lone 1 33 - 3 - HA LYS 58 - HE3 LYS 60 lone 1 33 - 3 - HA LYS 58 - HE2 LYS 49 lone 1 33 - 2 - HA LYS 58 - HE3 LYS 49 lone 1 33 - 2 - Peak 2067 from cnoeabs.peaks (1.92, 2.98, 41.78 ppm; 4.71 A): 4 out of 32 assignments used, quality = 1.00: HB2 LYS 39 + HE2 LYS 39 OK 98 100 - 98 - 4.9=90, ~2032=10...(34) * HB2 LYS 39 + HE3 LYS 39 OK 98 100 - 98 - 4.9=90, ~2032=10...(34) HB3 LYS 39 + HE3 LYS 39 OK 98 100 - 98 - 4.9=90, ~2032=10...(34) HB3 LYS 39 + HE2 LYS 39 OK 98 100 - 98 - 4.9=90, ~2032=10...(34) HB ILE 50 - HE2 LYS 49 OK 20 50 - 40 - 4609/4.8=19, 3.2/4604=9...(5) HB ILE 50 - HE3 LYS 49 OK 20 50 - 40 - 4609/4.8=19, 3.2/4604=9...(5) HB2 LYS 39 - HE2 LYS 49 poor 8 59 - 14 - 3753/6.3=1 HB2 LYS 39 - HE3 LYS 49 poor 8 59 - 14 - 3753/6.3=1 HB3 LYS 39 - HE2 LYS 49 poor 8 58 - 14 - 3755/6.3=1 HB3 LYS 39 - HE3 LYS 49 poor 8 58 - 14 - 3755/6.3=1 HB ILE 50 - HE3 LYS 39 lone 7 93 - 7 - 3.2/4604=2, ~4604=1 HB ILE 50 - HE2 LYS 39 lone 7 93 - 7 - 3.2/4604=2, ~4604=1 HB2 LYS 39 - HE2 LYS 62 lone 6 70 - 9 - HB3 LYS 39 - HE2 LYS 62 lone 6 70 - 9 - HB2 LYS 39 - HE3 LYS 62 lone 6 68 - 9 - HB3 LYS 39 - HE3 LYS 62 lone 6 68 - 9 - HB2 LYS 39 - HE2 LYS 60 lone 5 59 - 8 - HB3 LYS 39 - HE2 LYS 60 lone 5 59 - 8 - HB2 LYS 39 - HE3 LYS 60 lone 5 59 - 8 - HB3 LYS 39 - HE3 LYS 60 lone 5 58 - 8 - HB2 ARG 34 - HE3 LYS 49 lone 3 48 - 6 - HB2 ARG 34 - HE2 LYS 49 lone 3 48 - 6 - HB2 ARG 34 - HE3 LYS 39 lone 3 90 - 3 - HB2 ARG 34 - HE2 LYS 39 lone 3 90 - 3 - HB ILE 50 - HE2 LYS 62 lone 3 61 - 4 - 3.2/4604=1 HB ILE 50 - HE3 LYS 62 lone 3 58 - 4 - 3.2/4604=1 HB ILE 50 - HE2 LYS 60 lone 2 50 - 4 - 3.2/4604=1 HB ILE 50 - HE3 LYS 60 lone 2 50 - 4 - 3.2/4604=1 HB2 ARG 34 - HE2 LYS 62 lone 1 58 - 2 - HB2 ARG 34 - HE3 LYS 62 lone 1 56 - 2 - HB2 ARG 34 - HE2 LYS 60 lone 1 48 - 2 - HB2 ARG 34 - HE3 LYS 60 lone 1 48 - 2 - Peak 2068 from cnoeabs.peaks (1.92, 2.98, 41.78 ppm; 4.71 A): 4 out of 32 assignments used, quality = 1.00: HB3 LYS 39 + HE2 LYS 39 OK 98 100 - 98 - 4.9=90, ~2032=10...(34) * HB3 LYS 39 + HE3 LYS 39 OK 98 100 - 98 - 4.9=90, ~2032=10...(34) HB2 LYS 39 + HE3 LYS 39 OK 98 100 - 98 - 4.9=90, ~2032=10...(34) HB2 LYS 39 + HE2 LYS 39 OK 98 100 - 98 - 4.9=90, ~2032=10...(34) HB ILE 50 - HE2 LYS 49 OK 21 52 - 40 - 4609/4.8=19, 3.2/4604=9...(5) HB ILE 50 - HE3 LYS 49 OK 21 52 - 40 - 4609/4.8=19, 3.2/4604=9...(5) HB3 LYS 39 - HE2 LYS 49 poor 8 59 - 14 - 3755/6.3=1 HB3 LYS 39 - HE3 LYS 49 poor 8 59 - 14 - 3755/6.3=1 HB2 LYS 39 - HE2 LYS 49 poor 8 58 - 14 - 3753/6.3=1 HB2 LYS 39 - HE3 LYS 49 poor 8 58 - 14 - 3753/6.3=1 HB ILE 50 - HE2 LYS 39 lone 7 96 - 7 - 3.2/4604=2, ~4604=1 HB ILE 50 - HE3 LYS 39 lone 7 96 - 7 - 3.2/4604=2, ~4604=1 HB3 LYS 39 - HE2 LYS 62 lone 6 70 - 9 - HB2 LYS 39 - HE2 LYS 62 lone 6 70 - 9 - HB3 LYS 39 - HE3 LYS 62 lone 6 68 - 9 - HB2 LYS 39 - HE3 LYS 62 lone 6 68 - 9 - HB3 LYS 39 - HE2 LYS 60 lone 5 59 - 8 - HB2 LYS 39 - HE2 LYS 60 lone 5 59 - 8 - HB3 LYS 39 - HE3 LYS 60 lone 5 59 - 8 - HB2 LYS 39 - HE3 LYS 60 lone 5 58 - 8 - HB2 ARG 34 - HE2 LYS 49 lone 3 50 - 6 - HB2 ARG 34 - HE3 LYS 49 lone 3 50 - 6 - HB ILE 50 - HE2 LYS 62 lone 3 63 - 4 - 3.2/4604=1 HB2 ARG 34 - HE3 LYS 39 lone 3 93 - 3 - HB2 ARG 34 - HE2 LYS 39 lone 3 93 - 3 - HB ILE 50 - HE3 LYS 62 lone 3 61 - 4 - 3.2/4604=1 HB ILE 50 - HE2 LYS 60 lone 2 52 - 4 - 3.2/4604=1 HB ILE 50 - HE3 LYS 60 lone 2 52 - 4 - 3.2/4604=1 HB2 ARG 34 - HE2 LYS 62 lone 1 61 - 2 - HB2 ARG 34 - HE3 LYS 62 lone 1 58 - 2 - HB2 ARG 34 - HE2 LYS 60 lone 1 50 - 2 - HB2 ARG 34 - HE3 LYS 60 lone 1 50 - 2 - Peak 2069 from cnoeabs.peaks (1.43, 2.98, 41.78 ppm; 4.05 A): 10 out of 10 assignments used, quality = 1.00: * HG2 LYS 39 + HE3 LYS 39 OK 100 100 - 100 - 3.6=100 HG2 LYS 39 + HE2 LYS 39 OK 100 100 - 100 - 3.6=100 HG3 LYS 62 + HE2 LYS 62 OK 70 70 - 100 - 3.7=100 HG2 LYS 62 + HE2 LYS 62 OK 70 70 - 100 - 3.7=100 HG2 LYS 62 + HE3 LYS 62 OK 68 68 - 100 - 3.7=100 HG3 LYS 62 + HE3 LYS 62 OK 68 68 - 100 - 3.7=100 HG3 LYS 60 + HE2 LYS 60 OK 59 59 - 100 - 3.9=100 HG3 LYS 60 + HE3 LYS 60 OK 58 58 - 100 - 3.9=100 HG2 LYS 60 + HE2 LYS 60 OK 58 58 - 100 - 3.9=100 HG2 LYS 60 + HE3 LYS 60 OK 58 58 - 100 - 3.9=100 Peak 2070 from cnoeabs.peaks (1.54, 2.98, 41.78 ppm; 4.17 A): 2 out of 4 assignments used, quality = 1.00: * HG3 LYS 39 + HE3 LYS 39 OK 100 100 - 100 - 3.6=100 HG3 LYS 39 + HE2 LYS 39 OK 100 100 - 100 - 3.6=100 HG2 LYS 49 - HE3 LYS 49 OK 33 33 - 100 - 3.6=100 HG2 LYS 49 - HE2 LYS 49 OK 33 33 - 100 - 3.6=100 Peak 2071 from cnoeabs.peaks (1.69, 2.98, 41.78 ppm; 3.14 A): 8 out of 16 assignments used, quality = 1.00: HD3 LYS 39 + HE2 LYS 39 OK 100 100 - 100 - 3.0=100 HD3 LYS 39 + HE3 LYS 39 OK 100 100 - 100 - 3.0=100 HD2 LYS 39 + HE2 LYS 39 OK 100 100 - 100 - 3.0=100 * HD2 LYS 39 + HE3 LYS 39 OK 100 100 - 100 - 3.0=100 HD3 LYS 49 + HE2 LYS 49 OK 56 56 - 100 - 3.0=100 HD3 LYS 49 + HE3 LYS 49 OK 56 56 - 100 - 3.0=100 HD2 LYS 49 + HE2 LYS 49 OK 55 55 - 100 - 3.0=100 HD2 LYS 49 + HE3 LYS 49 OK 55 55 - 100 - 3.0=100 HD2 LYS 62 - HE2 LYS 62 OK 44 44 - 100 - 3.0=100 HD2 LYS 62 - HE3 LYS 62 OK 42 42 - 100 - 3.0=100 HD3 LYS 62 - HE2 LYS 62 OK 42 42 - 100 - 3.0=100 HD3 LYS 62 - HE3 LYS 62 OK 41 41 - 100 - 3.0=100 HD2 LYS 60 - HE2 LYS 60 OK 39 39 - 100 - 3.0=100 HD2 LYS 60 - HE3 LYS 60 OK 39 39 - 100 - 3.0=100 HD3 LYS 60 - HE2 LYS 60 OK 36 36 - 100 - 3.0=100 HD3 LYS 60 - HE3 LYS 60 OK 36 36 - 100 - 3.0=100 Peak 2072 from cnoeabs.peaks (1.69, 2.98, 41.78 ppm; 3.14 A): 8 out of 16 assignments used, quality = 1.00: HD3 LYS 39 + HE2 LYS 39 OK 100 100 - 100 - 3.0=100 * HD3 LYS 39 + HE3 LYS 39 OK 100 100 - 100 - 3.0=100 HD2 LYS 39 + HE2 LYS 39 OK 100 100 - 100 - 3.0=100 HD2 LYS 39 + HE3 LYS 39 OK 100 100 - 100 - 3.0=100 HD3 LYS 49 + HE2 LYS 49 OK 56 56 - 100 - 3.0=100 HD3 LYS 49 + HE3 LYS 49 OK 56 56 - 100 - 3.0=100 HD2 LYS 49 + HE2 LYS 49 OK 55 55 - 100 - 3.0=100 HD2 LYS 49 + HE3 LYS 49 OK 55 55 - 100 - 3.0=100 HD2 LYS 62 - HE2 LYS 62 OK 44 44 - 100 - 3.0=100 HD2 LYS 62 - HE3 LYS 62 OK 42 42 - 100 - 3.0=100 HD3 LYS 62 - HE2 LYS 62 OK 42 42 - 100 - 3.0=100 HD3 LYS 62 - HE3 LYS 62 OK 41 41 - 100 - 3.0=100 HD2 LYS 60 - HE2 LYS 60 OK 39 39 - 100 - 3.0=100 HD2 LYS 60 - HE3 LYS 60 OK 39 39 - 100 - 3.0=100 HD3 LYS 60 - HE2 LYS 60 OK 36 36 - 100 - 3.0=100 HD3 LYS 60 - HE3 LYS 60 OK 36 36 - 100 - 3.0=100 Peak 2073 from cnoeabs.peaks (2.98, 2.98, 41.78 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: HE3 LYS 39 + HE3 LYS 39 OK 100 100 - 100 HE2 LYS 39 + HE2 LYS 39 OK 100 100 - 100 HE2 LYS 62 + HE2 LYS 62 OK 70 70 - 100 HE3 LYS 62 + HE3 LYS 62 OK 67 67 - 100 HE2 LYS 60 + HE2 LYS 60 OK 59 59 - 100 HE2 LYS 49 + HE2 LYS 49 OK 58 58 - 100 HE3 LYS 49 + HE3 LYS 49 OK 58 58 - 100 HE3 LYS 60 + HE3 LYS 60 OK 58 58 - 100 Reference assignment not found: HE2 LYS 39 - HE3 LYS 39 Peak 2074 from cnoeabs.peaks (2.98, 2.98, 41.78 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: * HE3 LYS 39 + HE3 LYS 39 OK 100 100 - 100 HE2 LYS 39 + HE2 LYS 39 OK 100 100 - 100 HE2 LYS 62 + HE2 LYS 62 OK 70 70 - 100 HE3 LYS 62 + HE3 LYS 62 OK 67 67 - 100 HE2 LYS 60 + HE2 LYS 60 OK 59 59 - 100 HE2 LYS 49 + HE2 LYS 49 OK 58 58 - 100 HE3 LYS 49 + HE3 LYS 49 OK 58 58 - 100 HE3 LYS 60 + HE3 LYS 60 OK 58 58 - 100 Peak 2075 from cnoeabs.peaks (8.02, 4.37, 55.84 ppm; 3.34 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 40 + HA ASN 40 OK 100 100 - 100 - 3.0=100 Peak 2076 from cnoeabs.peaks (4.37, 4.37, 55.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASN 40 + HA ASN 40 OK 100 100 - 100 Peak 2077 from cnoeabs.peaks (2.76, 4.37, 55.84 ppm; 3.24 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 40 + HA ASN 40 OK 100 100 - 100 - 2.9=100 Peak 2078 from cnoeabs.peaks (2.70, 4.37, 55.84 ppm; 3.13 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 40 + HA ASN 40 OK 100 100 - 100 - 2.9=100 Peak 2079 from cnoeabs.peaks (7.29, 4.37, 55.84 ppm; 5.16 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 40 + HA ASN 40 OK 100 100 - 100 - 4.4=100 Peak 2080 from cnoeabs.peaks (6.52, 4.37, 55.84 ppm; 5.14 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 40 + HA ASN 40 OK 100 100 - 100 - 4.4=100 Peak 2081 from cnoeabs.peaks (8.02, 2.76, 38.33 ppm; 3.52 A): 3 out of 5 assignments used, quality = 0.95: * H ASN 40 + HB2 ASN 40 OK 92 100 - 92 - 3.9=74, 661/1.8=37...(10) H LYS 22 + HB2 ASN 40 OK 18 96 - 19 - 2087/1.8=5, 379/3.5=3...(6) H ILE 17 + HB2 ASN 40 OK 12 99 - 12 - 2087/1.8=3, 936/2.9=2...(5) H GLN 53 - HB2 ASN 40 lone 6 90 - 6 - 175/4.2=2, 2087/1.8=2 H HIS 36 - HB2 ASN 40 lone 6 63 - 9 - 3758/3759=2, 886/4.2=2...(4) Peak 2082 from cnoeabs.peaks (4.37, 2.76, 38.33 ppm; 3.55 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 40 + HB2 ASN 40 OK 100 100 - 100 - 2.9=100 Peak 2083 from cnoeabs.peaks (2.76, 2.76, 38.33 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 40 + HB2 ASN 40 OK 100 100 - 100 Peak 2084 from cnoeabs.peaks (2.70, 2.76, 38.33 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 40 + HB2 ASN 40 OK 100 100 - 100 - 1.8=100 Peak 2085 from cnoeabs.peaks (7.29, 2.76, 38.33 ppm; 4.61 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 40 + HB2 ASN 40 OK 100 100 - 100 - 3.5=100 Peak 2086 from cnoeabs.peaks (6.52, 2.76, 38.33 ppm; 5.19 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 40 + HB2 ASN 40 OK 100 100 - 100 - 3.5=100 Peak 2087 from cnoeabs.peaks (8.02, 2.70, 38.33 ppm; 3.27 A): 3 out of 5 assignments used, quality = 0.89: * H ASN 40 + HB3 ASN 40 OK 86 100 - 86 - 3.9=59, 660/1.8=38...(9) H LYS 22 + HB3 ASN 40 OK 15 96 - 16 - 2081/1.8=4, 379/3.5=2...(6) H ILE 17 + HB3 ASN 40 OK 10 99 - 10 - 2081/1.8=3, 936/2.9=2...(5) H GLN 53 - HB3 ASN 40 lone 5 90 - 5 - 2081/1.8=1, 175/4.2=1 H HIS 36 - HB3 ASN 40 lone 4 63 - 7 - 886/4.2=1, 2081/1.8=1...(4) Peak 2088 from cnoeabs.peaks (4.37, 2.70, 38.33 ppm; 3.49 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 40 + HB3 ASN 40 OK 100 100 - 100 - 2.9=100 Peak 2089 from cnoeabs.peaks (2.76, 2.70, 38.33 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 40 + HB3 ASN 40 OK 100 100 - 100 - 1.8=100 Peak 2090 from cnoeabs.peaks (2.70, 2.70, 38.33 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 40 + HB3 ASN 40 OK 100 100 - 100 Peak 2091 from cnoeabs.peaks (7.29, 2.70, 38.33 ppm; 4.32 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 40 + HB3 ASN 40 OK 100 100 - 100 - 3.5=100 Peak 2092 from cnoeabs.peaks (6.52, 2.70, 38.33 ppm; 4.92 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 40 + HB3 ASN 40 OK 100 100 - 100 - 3.5=100 Peak 2093 from cnoeabs.peaks (8.06, 4.34, 54.54 ppm; 3.67 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 41 + HA LEU 41 OK 100 100 - 100 - 3.0=100 Peak 2094 from cnoeabs.peaks (4.34, 4.34, 54.54 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 41 + HA LEU 41 OK 100 100 - 100 Peak 2095 from cnoeabs.peaks (1.62, 4.34, 54.54 ppm; 3.55 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 41 + HA LEU 41 OK 100 100 - 100 - 3.0=100 Peak 2096 from cnoeabs.peaks (1.43, 4.34, 54.54 ppm; 3.34 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 41 + HA LEU 41 OK 100 100 - 100 - 3.0=100 Peak 2097 from cnoeabs.peaks (1.87, 4.34, 54.54 ppm; 3.97 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 41 + HA LEU 41 OK 100 100 - 100 - 3.7=100 Peak 2098 from cnoeabs.peaks (0.75, 4.34, 54.54 ppm; 2.84 A): 1 out of 2 assignments used, quality = 0.64: * QD2 LEU 41 + HA LEU 41 OK 64 100 - 64 - 2122=38, 669/3.0=13...(12) HG LEU 29 - HA LEU 41 lone 7 99 - 7 - 669/3.0=3, 186/3.6=2 Peak 2099 from cnoeabs.peaks (0.72, 4.34, 54.54 ppm; 2.95 A): 1 out of 4 assignments used, quality = 0.75: * QD1 LEU 41 + HA LEU 41 OK 75 100 - 75 - 4.0=41, 2.1/2122=25...(13) HB2 LEU 19 - HA LEU 41 lone 7 97 - 8 - 670/3.0=2, ~4462=1 HG LEU 29 - HA LEU 41 lone 4 78 - 5 - 670/3.0=2, 186/3.6=1 QD1 ILE 17 - HA LEU 41 lone 2 85 - 2 - Peak 2100 from cnoeabs.peaks (8.06, 1.62, 42.54 ppm; 3.49 A): 3 out of 24 assignments used, quality = 0.94: * H LEU 41 + HB2 LEU 41 OK 90 100 - 90 - 4.0=66, 669/3.1=20...(11) H LEU 37 + HB2 LEU 41 OK 33 97 - 34 - 2107/1.8=8, 2114/3.0=6...(8) H GLN 47 + HB2 LEU 41 OK 16 100 - 16 - 2107/1.8=3, 2114/3.0=3...(6) H ARG 55 - HB2 LEU 41 poor 10 87 - 11 - 4.0/4820=3, 2107/1.8=2...(5) H LYS 22 - HB2 LEU 41 poor 9 65 - 14 - 3.6/1353=2, 62/3.0=2...(8) H LEU 37 - HB3 LEU 64 lone 6 91 - 6 - 640/1.8=2, 643/3.1=2 H GLN 53 - HB2 LEU 41 lone 6 76 - 7 - 1043/3.0=2, 2107/1.8=1 H LEU 41 - HB3 LEU 64 lone 5 96 - 5 - 666=2 H LEU 41 - HB3 LEU 68 lone 4 76 - 5 - 666=1 H GLN 47 - HB3 LEU 64 lone 3 95 - 3 - H LEU 41 - HB2 LEU 68 lone 3 57 - 5 - 666=1 H LYS 22 - HB3 LEU 64 lone 2 59 - 3 - H LEU 37 - HB3 LEU 68 lone 2 71 - 2 - 989/3.8=1 H GLN 47 - HB3 LEU 68 lone 2 75 - 2 - H LYS 22 - HB3 LEU 68 lone 1 43 - 3 - 962/3.8=1 H LEU 37 - HB2 LEU 68 lone 1 53 - 2 - 989/3.8=1 H ARG 55 - HB3 LEU 64 lone 1 80 - 1 - H LYS 22 - HB2 LEU 68 lone 1 31 - 2 - 962/3.8=1 H GLN 47 - HB2 LEU 68 lone 1 56 - 1 - H GLN 53 - HB3 LEU 64 lone 1 69 - 1 - H ARG 55 - HB3 LEU 68 lone 1 60 - 1 - H GLN 53 - HB3 LEU 68 lone 0 50 - 1 - H ARG 55 - HB2 LEU 68 lone 0 44 - 1 - H GLN 53 - HB2 LEU 68 lone 0 37 - 1 - Peak 2101 from cnoeabs.peaks (4.34, 1.62, 42.54 ppm; 3.47 A): 2 out of 3 assignments used, quality = 1.00: * HA LEU 41 + HB2 LEU 41 OK 100 100 - 100 - 3.0=100 HA LEU 68 + HB3 LEU 68 OK 50 50 - 100 - 3.0=100 HA LEU 68 - HB2 LEU 68 OK 37 37 - 100 - 3.0=100 Peak 2102 from cnoeabs.peaks (1.62, 1.62, 42.54 ppm; diagonal): 3 out of 4 assignments used, quality = 1.00: * HB2 LEU 41 + HB2 LEU 41 OK 100 100 - 100 HB3 LEU 64 + HB3 LEU 64 OK 96 96 - 100 HB3 LEU 68 + HB3 LEU 68 OK 66 66 - 100 HB2 LEU 68 - HB2 LEU 68 OK 42 42 - 100 Peak 2103 from cnoeabs.peaks (1.43, 1.62, 42.54 ppm; 2.82 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 41 + HB2 LEU 41 OK 100 100 - 100 - 1.8=100 Peak 2104 from cnoeabs.peaks (1.87, 1.62, 42.54 ppm; 3.76 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 41 + HB2 LEU 41 OK 100 100 - 100 - 3.0=100 Peak 2105 from cnoeabs.peaks (0.75, 1.62, 42.54 ppm; 3.44 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 41 + HB2 LEU 41 OK 100 100 - 100 - 3.1=100 Peak 2106 from cnoeabs.peaks (0.72, 1.62, 42.54 ppm; 3.27 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 41 + HB2 LEU 41 OK 100 100 - 100 - 3.1=100 Peak 2107 from cnoeabs.peaks (8.06, 1.43, 42.54 ppm; 3.80 A): 2 out of 6 assignments used, quality = 0.99: * H LEU 41 + HB3 LEU 41 OK 97 100 - 97 - 4.0=85, 666/1.8=26...(14) H LEU 37 + HB3 LEU 41 OK 47 97 - 48 - 2114/3.0=8, 2128/3.1=7...(15) H GLN 47 - HB3 LEU 41 OK 20 100 - 20 - 2100/1.8=3, 2114/3.0=3...(6) H ARG 55 - HB3 LEU 41 OK 14 87 - 16 - 4.0/4819=5, 2100/1.8=2...(6) H LYS 22 - HB3 LEU 41 poor 9 65 - 14 - 62/3.0=2, 2100/1.8=2...(6) H GLN 53 - HB3 LEU 41 lone 7 76 - 9 - 1043/3.0=2, 2100/1.8=1...(4) Peak 2108 from cnoeabs.peaks (4.34, 1.43, 42.54 ppm; 3.48 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 41 + HB3 LEU 41 OK 100 100 - 100 - 3.0=100 Peak 2109 from cnoeabs.peaks (1.62, 1.43, 42.54 ppm; 2.79 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 41 + HB3 LEU 41 OK 100 100 - 100 - 1.8=100 Peak 2110 from cnoeabs.peaks (1.43, 1.43, 42.54 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 41 + HB3 LEU 41 OK 100 100 - 100 Peak 2111 from cnoeabs.peaks (1.87, 1.43, 42.54 ppm; 3.85 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 41 + HB3 LEU 41 OK 100 100 - 100 - 3.0=100 Peak 2112 from cnoeabs.peaks (0.75, 1.43, 42.54 ppm; 3.30 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 41 + HB3 LEU 41 OK 100 100 - 100 - 3.1=100 Peak 2113 from cnoeabs.peaks (0.72, 1.43, 42.54 ppm; 3.20 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 41 + HB3 LEU 41 OK 100 100 - 100 - 3.1=100 Peak 2114 from cnoeabs.peaks (8.06, 1.87, 26.77 ppm; 3.71 A): 2 out of 6 assignments used, quality = 0.95: * H LEU 41 + HG LEU 41 OK 90 100 - 90 - 5.2=36, 669/2.1=27...(13) H LEU 37 + HG LEU 41 OK 47 97 - 48 - 4.5/4460=11, 2121/2.1=8...(10) H GLN 47 - HG LEU 41 OK 19 100 - 19 - 2121/2.1=3, 2128/2.1=3...(6) H LYS 22 - HG LEU 41 OK 12 65 - 19 - 62=3, 3.6/1352=3...(8) H ARG 55 - HG LEU 41 lone 8 87 - 9 - 2128/2.1=2, 2107/3.0=2...(4) H GLN 53 - HG LEU 41 lone 6 76 - 8 - 1043/3.7=2, 2128/2.1=1...(4) Peak 2115 from cnoeabs.peaks (4.34, 1.87, 26.77 ppm; 4.21 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 41 + HG LEU 41 OK 100 100 - 100 - 3.7=100 Peak 2116 from cnoeabs.peaks (1.62, 1.87, 26.77 ppm; 3.47 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 41 + HG LEU 41 OK 100 100 - 100 - 3.0=100 Peak 2117 from cnoeabs.peaks (1.43, 1.87, 26.77 ppm; 4.21 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 41 + HG LEU 41 OK 100 100 - 100 - 3.0=100 Peak 2118 from cnoeabs.peaks (1.87, 1.87, 26.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 41 + HG LEU 41 OK 100 100 - 100 Peak 2119 from cnoeabs.peaks (0.75, 1.87, 26.77 ppm; 3.22 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 41 + HG LEU 41 OK 100 100 - 100 - 2.1=100 Peak 2120 from cnoeabs.peaks (0.72, 1.87, 26.77 ppm; 3.11 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 41 + HG LEU 41 OK 100 100 - 100 - 2.1=100 Peak 2121 from cnoeabs.peaks (8.06, 0.75, 22.71 ppm; 4.04 A): 2 out of 6 assignments used, quality = 0.98: * H LEU 41 + QD2 LEU 41 OK 96 100 - 96 - 4.8=61, 3.0/2098=37...(15) H LEU 37 + QD2 LEU 41 OK 58 97 - 59 - 4.5/4459=13, 2114/2.1=10...(19) H GLN 47 - QD2 LEU 41 OK 24 100 - 24 - 2114/2.1=4, 2128/2.1=4...(8) H LYS 22 - QD2 LEU 41 OK 13 65 - 20 - 62/2.1=3, 2.9/2122=3...(8) H ARG 55 - QD2 LEU 41 OK 12 87 - 14 - 2128/2.1=3, 2107/3.1=2...(4) H GLN 53 - QD2 LEU 41 lone 8 76 - 10 - 1043/4.0=2, 2128/2.1=2...(5) Peak 2122 from cnoeabs.peaks (4.34, 0.75, 22.71 ppm; 2.89 A): 1 out of 8 assignments used, quality = 0.77: * HA LEU 41 + QD2 LEU 41 OK 77 100 - 77 - 2098=45, 2099/2.1=25...(13) HA LYS 22 - QD2 LEU 41 lone 6 97 - 6 - ~62=1 HA HIS 36 - QD2 LEU 41 lone 5 76 - 7 - 3.6/2121=3, ~4438=1 HA LYS 49 - QD2 LEU 41 lone 2 96 - 2 - HA ASN 54 - QD2 LEU 41 lone 2 92 - 2 - HA GLU 67 - QD2 LEU 41 lone 1 65 - 2 - HA GLN 63 - QD2 LEU 41 lone 1 68 - 2 - HA LEU 68 - QD2 LEU 41 lone 0 76 - 1 - Peak 2123 from cnoeabs.peaks (1.62, 0.75, 22.71 ppm; 3.75 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 41 + QD2 LEU 41 OK 100 100 - 100 - 3.1=100 Peak 2124 from cnoeabs.peaks (1.43, 0.75, 22.71 ppm; 3.55 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 41 + QD2 LEU 41 OK 100 100 - 100 - 3.1=100 Peak 2125 from cnoeabs.peaks (1.87, 0.75, 22.71 ppm; 3.20 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 41 + QD2 LEU 41 OK 100 100 - 100 - 2.1=100 Peak 2126 from cnoeabs.peaks (0.75, 0.75, 22.71 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 41 + QD2 LEU 41 OK 100 100 - 100 Peak 2127 from cnoeabs.peaks (0.72, 0.75, 22.71 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 41 + QD2 LEU 41 OK 100 100 - 100 - 2.1=100 Peak 2128 from cnoeabs.peaks (8.06, 0.72, 26.10 ppm; 4.21 A): 2 out of 6 assignments used, quality = 0.99: * H LEU 41 + QD1 LEU 41 OK 98 100 - 98 - 4.8=69, 3.0/2099=36...(20) H LEU 37 + QD1 LEU 41 OK 68 97 - 70 - 5.0/4894=16, 4.5/4377=13...(19) H GLN 47 - QD1 LEU 41 OK 26 100 - 26 - 2114/2.1=4, 2121/2.1=4...(8) H ARG 55 - QD1 LEU 41 OK 18 87 - 21 - 4.0/4817=4, 5.1/4817=3...(7) H LYS 22 - QD1 LEU 41 OK 15 65 - 23 - 62/2.1=3, 3.6/4453=3...(10) H GLN 53 - QD1 LEU 41 OK 10 76 - 13 - 4.4/4439=3, 1043/4.0=2...(6) Peak 2129 from cnoeabs.peaks (4.34, 0.72, 26.10 ppm; 4.39 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 41 + QD1 LEU 41 OK 100 100 - 100 - 4.0=100 Peak 2130 from cnoeabs.peaks (1.62, 0.72, 26.10 ppm; 3.51 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 41 + QD1 LEU 41 OK 100 100 - 100 - 3.1=100 Peak 2131 from cnoeabs.peaks (1.43, 0.72, 26.10 ppm; 3.56 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 41 + QD1 LEU 41 OK 100 100 - 100 - 3.1=100 Peak 2132 from cnoeabs.peaks (1.87, 0.72, 26.10 ppm; 3.34 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 41 + QD1 LEU 41 OK 100 100 - 100 - 2.1=100 Peak 2133 from cnoeabs.peaks (0.75, 0.72, 26.10 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 41 + QD1 LEU 41 OK 100 100 - 100 - 2.1=100 Peak 2134 from cnoeabs.peaks (0.72, 0.72, 26.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 41 + QD1 LEU 41 OK 100 100 - 100 Peak 2135 from cnoeabs.peaks (7.90, 3.98, 57.60 ppm; 3.02 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 42 + HA LYS 42 OK 100 100 - 100 - 3.0=100 Peak 2136 from cnoeabs.peaks (3.98, 3.98, 57.60 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 42 + HA LYS 42 OK 100 100 - 100 Peak 2137 from cnoeabs.peaks (1.89, 3.98, 57.60 ppm; 3.20 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 42 + HA LYS 42 OK 100 100 - 100 - 3.0=100 Peak 2138 from cnoeabs.peaks (2.15, 3.98, 57.60 ppm; 3.50 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 42 + HA LYS 42 OK 100 100 - 100 - 3.0=100 Peak 2139 from cnoeabs.peaks (1.35, 3.98, 57.60 ppm; 3.18 A): 2 out of 7 assignments used, quality = 0.97: * HG2 LYS 42 + HA LYS 42 OK 84 100 - 84 - 3.9=55, 4.9/672=11...(19) HG3 LYS 42 + HA LYS 42 OK 84 100 - 84 - 3.9=55, 4.9/672=11...(19) QB ALA 38 - HA LYS 42 OK 44 97 - 46 - 3748=14, 4394/3.6=11...(8) HG2 LYS 58 - HA LYS 42 lone 5 100 - 4 - HG2 ARG 34 - HA LYS 42 lone 4 95 - 4 - HD3 LYS 27 - HA LYS 42 lone 1 81 - 1 - HG13 ILE 17 - HA LYS 42 lone 1 81 - 1 - Peak 2140 from cnoeabs.peaks (1.35, 3.98, 57.60 ppm; 3.18 A): 2 out of 7 assignments used, quality = 0.97: HG2 LYS 42 + HA LYS 42 OK 84 100 - 84 - 3.9=55, 4.9/672=11...(19) * HG3 LYS 42 + HA LYS 42 OK 84 100 - 84 - 3.9=55, 4.9/672=11...(19) QB ALA 38 - HA LYS 42 OK 44 97 - 46 - 3748=14, 4394/3.6=11...(8) HG2 LYS 58 - HA LYS 42 lone 5 100 - 4 - HG2 ARG 34 - HA LYS 42 lone 4 95 - 4 - HD3 LYS 27 - HA LYS 42 lone 1 81 - 1 - HG13 ILE 17 - HA LYS 42 lone 1 81 - 1 - Peak 2141 from cnoeabs.peaks (1.72, 3.98, 57.60 ppm; 4.40 A): 1 out of 11 assignments used, quality = 0.97: * HD2 LYS 42 + HA LYS 42 OK 97 100 - 97 - 4.8=78, 1.8/2196=18...(18) HB3 LEU 37 - HA LYS 42 OK 31 96 - 32 - 4.4/995=7, 4.0/988=6...(10) HB2 ARG 56 - HA LYS 42 OK 15 100 - 15 - 3.6/4877=6, 3.0/3716=4...(4) HG13 ILE 50 - HA LYS 42 OK 15 63 - 24 - 3.2/4602=8, ~4608=3...(9) HD2 LYS 49 - HA LYS 42 OK 12 89 - 13 - 2186=2, 2161/3.0=1...(4) HD3 LYS 49 - HA LYS 42 OK 11 87 - 13 - 2186=1, 2161/3.0=1...(4) HG2 LYS 22 - HA LYS 42 OK 11 99 - 11 - 5.1/4467=3, 1.8/2142=2 HD2 LYS 39 - HA LYS 42 poor 8 68 - 12 - 6.2/1001=4, ~184=2...(4) HD3 LYS 39 - HA LYS 42 poor 8 68 - 12 - 6.2/1001=4, ~184=2...(4) HB3 LYS 58 - HA LYS 42 lone 8 97 - 8 - 677/3.0=1 HB3 ARG 61 - HA LYS 42 lone 4 99 - 4 - Peak 2142 from cnoeabs.peaks (1.66, 3.98, 57.60 ppm; 4.78 A): 1 out of 12 assignments used, quality = 0.99: * HD3 LYS 42 + HA LYS 42 OK 99 100 - 99 - 4.8=99 HB2 LEU 37 - HA LYS 42 OK 35 100 - 35 - 4.4/995=9, 4.0/988=7...(9) HD3 LYS 62 - HA LYS 42 OK 16 98 - 16 - 2195/3.0=3, 2196=3...(7) HD2 LYS 62 - HA LYS 42 OK 16 97 - 16 - 2195/3.0=3, 2196=3...(7) HD3 LYS 60 - HA LYS 42 OK 11 97 - 12 - 2195/3.0=2, 2196=2...(5) HD2 LYS 60 - HA LYS 42 OK 11 96 - 12 - 2195/3.0=2, 2196=2...(5) HG3 LYS 22 - HA LYS 42 OK 10 87 - 12 - 5.1/4467=4, 1.8/2141=2...(4) HB2 LEU 64 - HA LYS 42 lone 9 100 - 9 - ~3651=2, 678/3.0=2, ~183=1 HB2 LEU 68 - HA LYS 42 poor 7 73 - 10 - ~3651=4, 678/3.0=2...(4) HG LEU 64 - HA LYS 42 lone 6 81 - 8 - ~3651=3, 678/3.0=1 HB3 LEU 68 - HA LYS 42 lone 6 60 - 10 - ~3651=4, 678/3.0=2...(4) HB3 GLN 15 - HA LYS 42 lone 2 65 - 4 - ~3805=1 Peak 2145 from cnoeabs.peaks (7.90, 1.89, 28.29 ppm; 4.51 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 42 + HB2 LYS 42 OK 100 100 - 100 - 4.0=100 Peak 2146 from cnoeabs.peaks (3.98, 1.89, 28.29 ppm; 3.30 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 42 + HB2 LYS 42 OK 100 100 - 100 - 3.0=100 Peak 2147 from cnoeabs.peaks (1.89, 1.89, 28.29 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 42 + HB2 LYS 42 OK 100 100 - 100 Peak 2148 from cnoeabs.peaks (2.15, 1.89, 28.29 ppm; 2.52 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 42 + HB2 LYS 42 OK 100 100 - 100 - 1.8=100 Peak 2149 from cnoeabs.peaks (1.35, 1.89, 28.29 ppm; 3.14 A): 2 out of 2 assignments used, quality = 1.00: HG3 LYS 42 + HB2 LYS 42 OK 100 100 - 100 - 2.9=100 * HG2 LYS 42 + HB2 LYS 42 OK 100 100 - 100 - 2.9=100 Peak 2150 from cnoeabs.peaks (1.35, 1.89, 28.29 ppm; 3.14 A): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 42 + HB2 LYS 42 OK 100 100 - 100 - 2.9=100 HG2 LYS 42 + HB2 LYS 42 OK 100 100 - 100 - 2.9=100 Peak 2151 from cnoeabs.peaks (1.72, 1.89, 28.29 ppm; 3.95 A): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 42 + HB2 LYS 42 OK 100 100 - 100 - 3.8=100 Peak 2152 from cnoeabs.peaks (1.66, 1.89, 28.29 ppm; 4.35 A): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 42 + HB2 LYS 42 OK 100 100 - 100 - 3.8=100 Peak 2155 from cnoeabs.peaks (7.90, 2.15, 28.29 ppm; 4.77 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 42 + HB3 LYS 42 OK 100 100 - 100 - 4.0=100 Peak 2156 from cnoeabs.peaks (3.98, 2.15, 28.29 ppm; 3.46 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 42 + HB3 LYS 42 OK 100 100 - 100 - 3.0=100 Peak 2157 from cnoeabs.peaks (1.89, 2.15, 28.29 ppm; 2.59 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 42 + HB3 LYS 42 OK 100 100 - 100 - 1.8=100 Peak 2158 from cnoeabs.peaks (2.15, 2.15, 28.29 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 42 + HB3 LYS 42 OK 100 100 - 100 HB2 GLN 53 + HB2 GLN 53 OK 85 85 - 100 Peak 2159 from cnoeabs.peaks (1.35, 2.15, 28.29 ppm; 3.20 A): 2 out of 2 assignments used, quality = 1.00: HG3 LYS 42 + HB3 LYS 42 OK 100 100 - 100 - 2.9=100 * HG2 LYS 42 + HB3 LYS 42 OK 100 100 - 100 - 2.9=100 Peak 2160 from cnoeabs.peaks (1.35, 2.15, 28.29 ppm; 3.20 A): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 42 + HB3 LYS 42 OK 100 100 - 100 - 2.9=100 HG2 LYS 42 + HB3 LYS 42 OK 100 100 - 100 - 2.9=100 Peak 2161 from cnoeabs.peaks (1.72, 2.15, 28.29 ppm; 3.82 A): 1 out of 22 assignments used, quality = 0.99: * HD2 LYS 42 + HB3 LYS 42 OK 99 100 - 99 - 3.8=98, 1.8/2198=27...(19) HB2 ARG 56 - HB2 GLN 53 OK 25 85 - 29 - 3826/3.0=15, ~3827=9, ~3828=8 HG13 ILE 50 - HB2 GLN 53 OK 18 47 - 38 - 4.0/3804=12, 3.2/4607=8...(9) HB3 LEU 37 - HB3 LYS 42 OK 12 96 - 13 - 2141/3.0=3, 677/4.0=3...(5) HG13 ILE 50 - HB3 LYS 42 OK 12 63 - 19 - 4.0/3804=3, 3.2/4607=3...(8) HG2 LYS 22 - HB2 GLN 53 OK 11 83 - 13 - 3825/3.0=4, 1434/4.0=3...(4) HD2 LYS 49 - HB3 LYS 42 lone 8 89 - 9 - 2141/3.0=1 HD3 LYS 49 - HB3 LYS 42 lone 8 87 - 9 - 2141/3.0=1 HB2 ARG 56 - HB3 LYS 42 lone 6 100 - 6 - 2141/3.0=2, ~3716=1...(4) HG2 LYS 22 - HB3 LYS 42 lone 5 99 - 5 - 2141/3.0=1 HB3 LYS 58 - HB3 LYS 42 lone 4 97 - 4 - HD2 LYS 49 - HB2 GLN 53 lone 3 70 - 5 - HB3 LEU 37 - HB2 GLN 53 lone 3 77 - 4 - 3825/3.0=1 HD3 LYS 49 - HB2 GLN 53 lone 3 68 - 5 - HB3 ARG 61 - HB3 LYS 42 lone 3 99 - 3 - HD3 LYS 39 - HB3 LYS 42 lone 3 68 - 4 - 677/4.0=1 HD2 LYS 39 - HB3 LYS 42 lone 3 68 - 4 - 677/4.0=1 HB3 ARG 61 - HB2 GLN 53 lone 2 82 - 2 - HD2 LYS 42 - HB2 GLN 53 lone 2 85 - 2 - HB3 LYS 58 - HB2 GLN 53 lone 1 79 - 1 - HD2 LYS 39 - HB2 GLN 53 lone 1 51 - 2 - HD3 LYS 39 - HB2 GLN 53 lone 1 51 - 2 - Peak 2162 from cnoeabs.peaks (1.66, 2.15, 28.29 ppm; 3.97 A): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 42 + HB3 LYS 42 OK 100 100 - 100 - 3.8=100 Peak 2165 from cnoeabs.peaks (7.90, 1.35, 24.91 ppm; 3.82 A): 2 out of 9 assignments used, quality = 0.99: * H LYS 42 + HG2 LYS 42 OK 88 100 - 88 - 4.9=49, 672/3.9=24...(18) H LYS 42 + HG3 LYS 42 OK 88 100 - 88 - 4.9=49, 672/3.9=24...(18) H LYS 42 - HG2 LYS 58 lone 7 98 - 6 - 676=1 H THR 14 - HG2 LYS 42 lone 3 95 - 3 - H THR 14 - HG3 LYS 42 lone 3 95 - 3 - H THR 14 - HG2 LYS 58 lone 1 91 - 1 - H GLY 69 - HG3 LYS 42 lone 1 100 - 1 - H GLY 69 - HG2 LYS 42 lone 1 100 - 1 - H GLY 69 - HG2 LYS 58 lone 1 98 - 1 - Peak 2166 from cnoeabs.peaks (3.98, 1.35, 24.91 ppm; 3.33 A): 2 out of 18 assignments used, quality = 0.99: * HA LYS 42 + HG2 LYS 42 OK 89 100 - 89 - 3.9=63, 2140/1.8=14...(19) HA LYS 42 + HG3 LYS 42 OK 89 100 - 89 - 3.9=63, 2140/1.8=14...(19) HA ALA 35 - HG3 LYS 42 OK 30 100 - 30 - 3747=7, 3747/1.8=6...(11) HA ALA 35 - HG2 LYS 42 OK 30 100 - 30 - 3747=7, 3747/1.8=6...(11) HB3 SER 24 - HG3 LYS 42 lone 6 98 - 6 - 2186/3.0=1, 2196/3.0=1 HB3 SER 24 - HG2 LYS 42 lone 6 98 - 6 - 2186/3.0=1, 2196/3.0=1 HB2 SER 24 - HG2 LYS 42 lone 6 97 - 6 - 2186/3.0=1, 2196/3.0=1 HB2 SER 24 - HG3 LYS 42 lone 6 97 - 6 - 2186/3.0=1, 2196/3.0=1 HA LYS 42 - HG2 LYS 58 lone 5 98 - 5 - 2139=1 HA GLN 47 - HG3 LYS 42 lone 5 78 - 6 - ~4541=2 HA GLN 47 - HG2 LYS 42 lone 5 78 - 6 - ~4541=2 HA ALA 35 - HG2 LYS 58 lone 4 98 - 4 - 3747=1 HA GLN 47 - HG2 LYS 58 lone 1 74 - 2 - HB2 SER 30 - HG2 LYS 58 lone 1 54 - 2 - HB3 SER 24 - HG2 LYS 58 lone 1 95 - 1 - HB2 SER 24 - HG2 LYS 58 lone 1 93 - 1 - HB2 SER 30 - HG3 LYS 42 lone 1 57 - 1 - HB2 SER 30 - HG2 LYS 42 lone 1 57 - 1 - Peak 2167 from cnoeabs.peaks (1.89, 1.35, 24.91 ppm; 3.24 A): 2 out of 2 assignments used, quality = 1.00: HB2 LYS 42 + HG3 LYS 42 OK 100 100 - 100 - 2.9=100 * HB2 LYS 42 + HG2 LYS 42 OK 100 100 - 100 - 2.9=100 Peak 2168 from cnoeabs.peaks (2.15, 1.35, 24.91 ppm; 3.26 A): 2 out of 2 assignments used, quality = 1.00: HB3 LYS 42 + HG3 LYS 42 OK 100 100 - 100 - 2.9=100 * HB3 LYS 42 + HG2 LYS 42 OK 100 100 - 100 - 2.9=100 Peak 2169 from cnoeabs.peaks (1.35, 1.35, 24.91 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HG3 LYS 42 + HG3 LYS 42 OK 100 100 - 100 * HG2 LYS 42 + HG2 LYS 42 OK 100 100 - 100 HG2 LYS 58 + HG2 LYS 58 OK 97 97 - 100 Peak 2170 from cnoeabs.peaks (1.35, 1.35, 24.91 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HG3 LYS 42 + HG3 LYS 42 OK 100 100 - 100 HG2 LYS 42 + HG2 LYS 42 OK 100 100 - 100 HG2 LYS 58 + HG2 LYS 58 OK 97 97 - 100 Reference assignment not found: HG3 LYS 42 - HG2 LYS 42 Peak 2171 from cnoeabs.peaks (1.72, 1.35, 24.91 ppm; 3.35 A): 3 out of 3 assignments used, quality = 1.00: HD2 LYS 42 + HG3 LYS 42 OK 100 100 - 100 - 3.0=100 * HD2 LYS 42 + HG2 LYS 42 OK 100 100 - 100 - 3.0=100 HB3 LYS 58 + HG2 LYS 58 OK 93 93 - 100 - 2.8=100 Peak 2172 from cnoeabs.peaks (1.66, 1.35, 24.91 ppm; 3.45 A): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 42 + HG3 LYS 42 OK 100 100 - 100 - 3.0=100 * HD3 LYS 42 + HG2 LYS 42 OK 100 100 - 100 - 3.0=100 Peak 2173 from cnoeabs.peaks (3.02, 1.35, 24.91 ppm; 3.70 A): 4 out of 4 assignments used, quality = 1.00: HE3 LYS 42 + HG2 LYS 42 OK 100 100 - 100 - 3.6=100 HE3 LYS 42 + HG3 LYS 42 OK 100 100 - 100 - 3.6=100 * HE2 LYS 42 + HG2 LYS 42 OK 100 100 - 100 - 3.6=100 HE2 LYS 42 + HG3 LYS 42 OK 100 100 - 100 - 3.6=100 Peak 2174 from cnoeabs.peaks (3.02, 1.35, 24.91 ppm; 3.70 A): 4 out of 4 assignments used, quality = 1.00: * HE3 LYS 42 + HG2 LYS 42 OK 100 100 - 100 - 3.6=100 HE3 LYS 42 + HG3 LYS 42 OK 100 100 - 100 - 3.6=100 HE2 LYS 42 + HG2 LYS 42 OK 100 100 - 100 - 3.6=100 HE2 LYS 42 + HG3 LYS 42 OK 100 100 - 100 - 3.6=100 Peak 2175 from cnoeabs.peaks (7.90, 1.35, 24.91 ppm; 3.82 A): 2 out of 9 assignments used, quality = 0.99: H LYS 42 + HG2 LYS 42 OK 88 100 - 88 - 4.9=49, 672/3.9=24...(18) * H LYS 42 + HG3 LYS 42 OK 88 100 - 88 - 4.9=49, 672/3.9=24...(18) H LYS 42 - HG2 LYS 58 lone 7 98 - 6 - 676=1 H THR 14 - HG2 LYS 42 lone 3 95 - 3 - H THR 14 - HG3 LYS 42 lone 3 95 - 3 - H THR 14 - HG2 LYS 58 lone 1 91 - 1 - H GLY 69 - HG3 LYS 42 lone 1 100 - 1 - H GLY 69 - HG2 LYS 42 lone 1 100 - 1 - H GLY 69 - HG2 LYS 58 lone 1 98 - 1 - Peak 2176 from cnoeabs.peaks (3.98, 1.35, 24.91 ppm; 3.33 A): 2 out of 18 assignments used, quality = 0.99: HA LYS 42 + HG2 LYS 42 OK 89 100 - 89 - 3.9=63, 2140/1.8=14...(19) * HA LYS 42 + HG3 LYS 42 OK 89 100 - 89 - 3.9=63, 2140/1.8=14...(19) HA ALA 35 - HG3 LYS 42 OK 30 100 - 30 - 3747=7, 3747/1.8=6...(11) HA ALA 35 - HG2 LYS 42 OK 30 100 - 30 - 3747=7, 3747/1.8=6...(11) HB3 SER 24 - HG3 LYS 42 lone 6 98 - 6 - 2186/3.0=1, 2196/3.0=1 HB3 SER 24 - HG2 LYS 42 lone 6 98 - 6 - 2186/3.0=1, 2196/3.0=1 HB2 SER 24 - HG2 LYS 42 lone 6 97 - 6 - 2186/3.0=1, 2196/3.0=1 HB2 SER 24 - HG3 LYS 42 lone 6 97 - 6 - 2186/3.0=1, 2196/3.0=1 HA LYS 42 - HG2 LYS 58 lone 5 98 - 5 - 2139=1 HA GLN 47 - HG3 LYS 42 lone 5 78 - 6 - ~4541=2 HA GLN 47 - HG2 LYS 42 lone 5 78 - 6 - ~4541=2 HA ALA 35 - HG2 LYS 58 lone 4 98 - 4 - 3747=1 HA GLN 47 - HG2 LYS 58 lone 1 74 - 2 - HB2 SER 30 - HG2 LYS 58 lone 1 54 - 2 - HB3 SER 24 - HG2 LYS 58 lone 1 95 - 1 - HB2 SER 24 - HG2 LYS 58 lone 1 93 - 1 - HB2 SER 30 - HG3 LYS 42 lone 1 57 - 1 - HB2 SER 30 - HG2 LYS 42 lone 1 57 - 1 - Peak 2177 from cnoeabs.peaks (1.89, 1.35, 24.91 ppm; 3.24 A): 2 out of 2 assignments used, quality = 1.00: * HB2 LYS 42 + HG3 LYS 42 OK 100 100 - 100 - 2.9=100 HB2 LYS 42 + HG2 LYS 42 OK 100 100 - 100 - 2.9=100 Peak 2178 from cnoeabs.peaks (2.15, 1.35, 24.91 ppm; 3.26 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 42 + HG3 LYS 42 OK 100 100 - 100 - 2.9=100 HB3 LYS 42 + HG2 LYS 42 OK 100 100 - 100 - 2.9=100 Peak 2179 from cnoeabs.peaks (1.35, 1.35, 24.91 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HG3 LYS 42 + HG3 LYS 42 OK 100 100 - 100 HG2 LYS 42 + HG2 LYS 42 OK 100 100 - 100 HG2 LYS 58 + HG2 LYS 58 OK 97 97 - 100 Reference assignment not found: HG2 LYS 42 - HG3 LYS 42 Peak 2180 from cnoeabs.peaks (1.35, 1.35, 24.91 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG3 LYS 42 + HG3 LYS 42 OK 100 100 - 100 HG2 LYS 42 + HG2 LYS 42 OK 100 100 - 100 HG2 LYS 58 + HG2 LYS 58 OK 97 97 - 100 Peak 2181 from cnoeabs.peaks (1.72, 1.35, 24.91 ppm; 3.35 A): 3 out of 3 assignments used, quality = 1.00: * HD2 LYS 42 + HG3 LYS 42 OK 100 100 - 100 - 3.0=100 HD2 LYS 42 + HG2 LYS 42 OK 100 100 - 100 - 3.0=100 HB3 LYS 58 + HG2 LYS 58 OK 93 93 - 100 - 2.8=100 Peak 2182 from cnoeabs.peaks (1.66, 1.35, 24.91 ppm; 3.45 A): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 42 + HG3 LYS 42 OK 100 100 - 100 - 3.0=100 HD3 LYS 42 + HG2 LYS 42 OK 100 100 - 100 - 3.0=100 Peak 2183 from cnoeabs.peaks (3.02, 1.35, 24.91 ppm; 3.70 A): 4 out of 4 assignments used, quality = 1.00: HE3 LYS 42 + HG2 LYS 42 OK 100 100 - 100 - 3.6=100 HE3 LYS 42 + HG3 LYS 42 OK 100 100 - 100 - 3.6=100 HE2 LYS 42 + HG2 LYS 42 OK 100 100 - 100 - 3.6=100 * HE2 LYS 42 + HG3 LYS 42 OK 100 100 - 100 - 3.6=100 Peak 2184 from cnoeabs.peaks (3.02, 1.35, 24.91 ppm; 3.70 A): 4 out of 4 assignments used, quality = 1.00: HE3 LYS 42 + HG2 LYS 42 OK 100 100 - 100 - 3.6=100 * HE3 LYS 42 + HG3 LYS 42 OK 100 100 - 100 - 3.6=100 HE2 LYS 42 + HG2 LYS 42 OK 100 100 - 100 - 3.6=100 HE2 LYS 42 + HG3 LYS 42 OK 100 100 - 100 - 3.6=100 Peak 2186 from cnoeabs.peaks (3.98, 1.72, 29.04 ppm; 4.46 A): 1 out of 18 assignments used, quality = 0.97: * HA LYS 42 + HD2 LYS 42 OK 97 100 - 97 - 4.8=81, 2196/1.8=19...(17) HA ALA 35 - HD2 LYS 42 OK 32 100 - 33 - 3747/3.0=7, 3747/3.0=7...(11) HB3 SER 24 - HD2 LYS 42 OK 12 98 - 12 - 2196/1.8=2, ~2196=2...(4) HB2 SER 24 - HD2 LYS 42 OK 12 97 - 12 - 2196/1.8=2, ~2196=2...(4) HA LYS 42 - HD2 LYS 49 poor 6 40 - 14 - 2141=3, 2141/1.8=2...(5) HA LYS 42 - HD3 LYS 49 poor 5 38 - 14 - 2141=3, 2141/1.8=2...(5) HA GLN 47 - HD2 LYS 42 lone 5 78 - 6 - HA GLN 47 - HD2 LYS 49 poor 3 26 - 12 - 3783/6.2=8, 3784/238=2 HA GLN 47 - HD3 LYS 49 poor 3 24 - 12 - 3783/6.2=8, 3784/238=2 HA ALA 35 - HD2 LYS 49 lone 2 40 - 5 - 3.6/4366=1 HA ALA 35 - HD3 LYS 49 lone 2 37 - 5 - 3.6/4366=1 HB2 SER 30 - HD2 LYS 42 lone 1 57 - 2 - HB3 SER 24 - HD2 LYS 49 lone 1 37 - 2 - HB2 SER 24 - HD2 LYS 49 lone 1 36 - 2 - HB3 SER 24 - HD3 LYS 49 lone 1 35 - 2 - HB2 SER 30 - HD2 LYS 49 lone 1 18 - 3 - ~4269=1 HB2 SER 24 - HD3 LYS 49 lone 1 34 - 2 - HB2 SER 30 - HD3 LYS 49 lone 1 16 - 3 - ~4269=1 Peak 2187 from cnoeabs.peaks (1.89, 1.72, 29.04 ppm; 3.88 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LYS 42 + HD2 LYS 42 OK 100 100 - 100 - 3.8=100 HB3 LYS 49 - HD2 LYS 49 OK 37 37 - 100 - 3.7=100 HB3 LYS 49 - HD3 LYS 49 OK 35 35 - 100 - 3.7=100 Peak 2188 from cnoeabs.peaks (2.15, 1.72, 29.04 ppm; 4.03 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LYS 42 + HD2 LYS 42 OK 100 100 - 100 - 3.8=100 HB2 LYS 49 - HD2 LYS 49 OK 22 22 - 100 - 3.7=100 HB2 LYS 49 - HD3 LYS 49 OK 20 20 - 100 - 3.7=100 Peak 2189 from cnoeabs.peaks (1.35, 1.72, 29.04 ppm; 3.36 A): 2 out of 2 assignments used, quality = 1.00: HG3 LYS 42 + HD2 LYS 42 OK 100 100 - 100 - 3.0=100 * HG2 LYS 42 + HD2 LYS 42 OK 100 100 - 100 - 3.0=100 Peak 2190 from cnoeabs.peaks (1.35, 1.72, 29.04 ppm; 3.36 A): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 42 + HD2 LYS 42 OK 100 100 - 100 - 3.0=100 HG2 LYS 42 + HD2 LYS 42 OK 100 100 - 100 - 3.0=100 Peak 2191 from cnoeabs.peaks (1.72, 1.72, 29.04 ppm; diagonal): 1 out of 3 assignments used, quality = 1.00: * HD2 LYS 42 + HD2 LYS 42 OK 100 100 - 100 HD2 LYS 49 - HD2 LYS 49 OK 31 31 - 100 HD3 LYS 49 - HD3 LYS 49 OK 28 28 - 100 Peak 2192 from cnoeabs.peaks (1.66, 1.72, 29.04 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 42 + HD2 LYS 42 OK 100 100 - 100 - 1.8=100 Peak 2193 from cnoeabs.peaks (3.02, 1.72, 29.04 ppm; 3.38 A): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 42 + HD2 LYS 42 OK 100 100 - 100 - 3.0=100 * HE2 LYS 42 + HD2 LYS 42 OK 100 100 - 100 - 3.0=100 Peak 2194 from cnoeabs.peaks (3.02, 1.72, 29.04 ppm; 3.38 A): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 42 + HD2 LYS 42 OK 100 100 - 100 - 3.0=100 HE2 LYS 42 + HD2 LYS 42 OK 100 100 - 100 - 3.0=100 Peak 2195 from cnoeabs.peaks (7.90, 1.66, 29.04 ppm; 4.88 A): 1 out of 15 assignments used, quality = 0.95: * H LYS 42 + HD3 LYS 42 OK 95 100 - 95 - 6.1=52, 672/4.8=28...(15) H LYS 42 - HD3 LYS 62 OK 14 74 - 19 - 678=4, 678/1.8=3...(8) H LYS 42 - HD2 LYS 62 OK 13 72 - 19 - 678=4, 678/1.8=3...(8) H LYS 42 - HD3 LYS 60 poor 10 72 - 13 - 678=2, 678/1.8=2...(6) H LYS 42 - HD2 LYS 60 poor 9 67 - 13 - 678=2, 678/1.8=2...(6) H THR 14 - HD3 LYS 42 lone 4 95 - 4 - H GLY 69 - HD3 LYS 42 lone 2 100 - 2 - H GLY 69 - HD3 LYS 62 lone 1 73 - 2 - H GLY 69 - HD2 LYS 62 lone 1 71 - 2 - H GLY 69 - HD3 LYS 60 lone 1 71 - 2 - H THR 14 - HD3 LYS 62 lone 1 65 - 2 - H THR 14 - HD2 LYS 62 lone 1 63 - 2 - H GLY 69 - HD2 LYS 60 lone 1 66 - 2 - H THR 14 - HD3 LYS 60 lone 1 63 - 2 - H THR 14 - HD2 LYS 60 lone 1 58 - 2 - Peak 2196 from cnoeabs.peaks (3.98, 1.66, 29.04 ppm; 4.34 A): 1 out of 30 assignments used, quality = 0.96: * HA LYS 42 + HD3 LYS 42 OK 96 100 - 96 - 4.8=75, 3.0/2198=26...(20) HA ALA 35 - HD3 LYS 42 OK 30 100 - 30 - 2186/1.8=6, 3747/3.0=6...(9) HB3 SER 24 - HD3 LYS 42 OK 12 98 - 12 - 2186/1.8=3, ~2186=2...(4) HB2 SER 24 - HD3 LYS 42 OK 12 97 - 12 - 2186/1.8=2, ~2186=2...(4) HA LYS 42 - HD3 LYS 62 OK 11 74 - 15 - 2142=3, 3.0/2195=2...(6) HA LYS 42 - HD2 LYS 62 OK 10 72 - 14 - 2142=3, 2142/1.8=2...(6) HA LYS 42 - HD3 LYS 60 poor 7 72 - 10 - 2142=2, 3.0/2195=2...(5) HA LYS 42 - HD2 LYS 60 poor 7 67 - 10 - 2142=2, 2142/1.8=2...(5) HA GLN 47 - HD3 LYS 42 lone 4 78 - 6 - HA ALA 35 - HD3 LYS 62 lone 1 74 - 2 - HA ALA 35 - HD2 LYS 62 lone 1 72 - 2 - HA ALA 35 - HD3 LYS 60 lone 1 72 - 2 - HB2 SER 30 - HD3 LYS 42 lone 1 57 - 2 - HA ALA 35 - HD2 LYS 60 lone 1 67 - 2 - HB3 SER 24 - HD3 LYS 62 lone 1 70 - 1 - HB2 SER 24 - HD3 LYS 62 lone 1 68 - 1 - HB3 SER 24 - HD2 LYS 62 lone 1 68 - 1 - HB3 SER 24 - HD3 LYS 60 lone 1 68 - 1 - HA GLN 47 - HD3 LYS 62 lone 1 51 - 2 - HB2 SER 24 - HD2 LYS 62 lone 1 66 - 1 - HB2 SER 24 - HD3 LYS 60 lone 1 66 - 1 - HA GLN 47 - HD2 LYS 62 lone 1 49 - 2 - HB3 SER 24 - HD2 LYS 60 lone 1 63 - 1 - HB2 SER 24 - HD2 LYS 60 lone 1 61 - 1 - HA GLN 47 - HD3 LYS 60 lone 1 49 - 2 - HA GLN 47 - HD2 LYS 60 lone 1 45 - 2 - HB2 SER 30 - HD3 LYS 62 lone 0 35 - 1 - HB2 SER 30 - HD2 LYS 62 lone 0 34 - 1 - HB2 SER 30 - HD3 LYS 60 lone 0 34 - 1 - HB2 SER 30 - HD2 LYS 60 lone 0 31 - 1 - Peak 2197 from cnoeabs.peaks (1.89, 1.66, 29.04 ppm; 3.91 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 42 + HD3 LYS 42 OK 100 100 - 100 - 3.8=100 Peak 2198 from cnoeabs.peaks (2.15, 1.66, 29.04 ppm; 3.75 A): 1 out of 25 assignments used, quality = 0.97: * HB3 LYS 42 + HD3 LYS 42 OK 97 100 - 97 - 3.8=92, 2161/1.8=15...(20) HB VAL 48 - HD3 LYS 42 lone 8 97 - 8 - 4572/3.8=3, 4570/3.0=2 HB3 LYS 42 - HD3 LYS 62 lone 4 74 - 6 - 4.0/2195=1, 3.0/2142=1 HB3 LYS 42 - HD2 LYS 62 lone 4 72 - 6 - 3.0/2142=1, 4.0/2195=1 HB2 LYS 49 - HD3 LYS 42 lone 3 68 - 5 - HB3 LYS 42 - HD3 LYS 60 lone 3 72 - 4 - HB3 LYS 42 - HD2 LYS 60 lone 3 67 - 4 - HB2 GLN 53 - HD3 LYS 42 lone 1 100 - 1 - HB2 GLU 20 - HD3 LYS 42 lone 1 97 - 1 - HB2 LYS 49 - HD3 LYS 60 lone 1 42 - 2 - HB2 GLN 53 - HD3 LYS 62 lone 1 74 - 1 - HB2 LYS 49 - HD2 LYS 60 lone 1 38 - 2 - HB2 GLN 53 - HD2 LYS 62 lone 1 71 - 1 - HB2 LYS 49 - HD3 LYS 62 lone 1 43 - 2 - HB2 GLU 20 - HD3 LYS 62 lone 1 68 - 1 - HB2 LYS 49 - HD2 LYS 62 lone 1 42 - 2 - HB2 GLU 20 - HD2 LYS 62 lone 1 66 - 1 - HB2 GLN 53 - HD3 LYS 60 lone 1 71 - 1 - HB VAL 48 - HD3 LYS 62 lone 1 68 - 1 - HB VAL 48 - HD2 LYS 62 lone 1 66 - 1 - HB2 GLN 53 - HD2 LYS 60 lone 1 66 - 1 - HB VAL 48 - HD3 LYS 60 lone 1 66 - 1 - HB2 GLU 20 - HD3 LYS 60 lone 1 66 - 1 - HB VAL 48 - HD2 LYS 60 lone 0 61 - 1 - HB2 GLU 20 - HD2 LYS 60 lone 0 61 - 1 - Peak 2199 from cnoeabs.peaks (1.35, 1.66, 29.04 ppm; 4.02 A): 2 out of 2 assignments used, quality = 1.00: HG3 LYS 42 + HD3 LYS 42 OK 100 100 - 100 - 3.0=100 * HG2 LYS 42 + HD3 LYS 42 OK 100 100 - 100 - 3.0=100 Peak 2200 from cnoeabs.peaks (1.35, 1.66, 29.04 ppm; 4.02 A): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 42 + HD3 LYS 42 OK 100 100 - 100 - 3.0=100 HG2 LYS 42 + HD3 LYS 42 OK 100 100 - 100 - 3.0=100 Peak 2201 from cnoeabs.peaks (1.72, 1.66, 29.04 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 42 + HD3 LYS 42 OK 100 100 - 100 - 1.8=100 Peak 2202 from cnoeabs.peaks (1.66, 1.66, 29.04 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HD3 LYS 42 + HD3 LYS 42 OK 100 100 - 100 HD3 LYS 62 + HD3 LYS 62 OK 70 70 - 100 HD2 LYS 62 + HD2 LYS 62 OK 67 67 - 100 HD3 LYS 60 + HD3 LYS 60 OK 67 67 - 100 HD2 LYS 60 + HD2 LYS 60 OK 60 60 - 100 Peak 2203 from cnoeabs.peaks (3.02, 1.66, 29.04 ppm; 3.30 A): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 42 + HD3 LYS 42 OK 100 100 - 100 - 3.0=100 * HE2 LYS 42 + HD3 LYS 42 OK 100 100 - 100 - 3.0=100 Peak 2204 from cnoeabs.peaks (3.02, 1.66, 29.04 ppm; 3.30 A): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 42 + HD3 LYS 42 OK 100 100 - 100 - 3.0=100 HE2 LYS 42 + HD3 LYS 42 OK 100 100 - 100 - 3.0=100 Peak 2206 from cnoeabs.peaks (3.98, 3.02, 42.11 ppm; 4.46 A): 2 out of 12 assignments used, quality = 0.98: * HA LYS 42 + HE2 LYS 42 OK 86 100 - 86 - 6.7=30, 2186/3.0=17...(18) HA LYS 42 + HE3 LYS 42 OK 86 100 - 86 - 6.7=30, 2186/3.0=17...(18) HA ALA 35 - HE3 LYS 42 OK 24 100 - 25 - 3747/3.6=6, 3747/3.6=6...(6) HA ALA 35 - HE2 LYS 42 OK 24 100 - 25 - 3747/3.6=6, 3747/3.6=6...(6) HB3 SER 24 - HE2 LYS 42 lone 10 98 - 10 - 2186/3.0=2, 2196/3.0=2...(4) HB3 SER 24 - HE3 LYS 42 lone 10 98 - 10 - 2186/3.0=2, 2196/3.0=2...(4) HB2 SER 24 - HE2 LYS 42 lone 10 97 - 10 - 2186/3.0=2, 2196/3.0=2...(4) HB2 SER 24 - HE3 LYS 42 lone 10 97 - 10 - 2186/3.0=2, 2196/3.0=2...(4) HA GLN 47 - HE3 LYS 42 lone 4 78 - 5 - HA GLN 47 - HE2 LYS 42 lone 4 78 - 5 - HB2 SER 30 - HE2 LYS 42 lone 1 57 - 2 - HB2 SER 30 - HE3 LYS 42 lone 1 57 - 2 - Peak 2207 from cnoeabs.peaks (1.89, 3.02, 42.11 ppm; 4.86 A): 2 out of 8 assignments used, quality = 1.00: HB2 LYS 42 + HE3 LYS 42 OK 99 100 - 99 - 4.9=95, ~2198=21...(20) * HB2 LYS 42 + HE2 LYS 42 OK 99 100 - 99 - 4.9=95, ~2198=21...(20) HB3 LYS 49 - HE3 LYS 42 lone 7 98 - 7 - HB3 LYS 49 - HE2 LYS 42 lone 7 98 - 7 - HG LEU 41 - HE2 LYS 42 lone 6 76 - 8 - 673/6.9=5 HG LEU 41 - HE3 LYS 42 lone 6 76 - 8 - 673/6.9=5 HB2 GLU 33 - HE2 LYS 42 lone 3 99 - 3 - 673/6.9=1 HB2 GLU 33 - HE3 LYS 42 lone 3 99 - 3 - 673/6.9=1 Peak 2209 from cnoeabs.peaks (1.35, 3.02, 42.11 ppm; 3.55 A): 4 out of 14 assignments used, quality = 1.00: HG2 LYS 42 + HE3 LYS 42 OK 97 100 - 97 - 3.6=95, 2.9/2207=7...(9) * HG2 LYS 42 + HE2 LYS 42 OK 97 100 - 97 - 3.6=95, 2.9/2207=7...(9) HG3 LYS 42 + HE3 LYS 42 OK 97 100 - 97 - 3.6=95, 2.9/2207=7...(9) HG3 LYS 42 + HE2 LYS 42 OK 97 100 - 97 - 3.6=95, 2.9/2207=7...(9) QB ALA 38 - HE2 LYS 42 OK 19 97 - 20 - 4407/4.9=6, 4409/4.9=5...(7) QB ALA 38 - HE3 LYS 42 OK 19 97 - 20 - 4407/4.9=6, 4409/4.9=5...(7) HG2 ARG 34 - HE2 LYS 42 lone 2 95 - 2 - HG2 ARG 34 - HE3 LYS 42 lone 2 95 - 2 - HG2 LYS 58 - HE2 LYS 42 lone 1 100 - 1 - HG2 LYS 58 - HE3 LYS 42 lone 1 100 - 1 - HD3 LYS 27 - HE2 LYS 42 lone 1 81 - 1 - HD3 LYS 27 - HE3 LYS 42 lone 1 81 - 1 - HG13 ILE 17 - HE3 LYS 42 lone 1 81 - 1 - HG13 ILE 17 - HE2 LYS 42 lone 1 81 - 1 - Peak 2210 from cnoeabs.peaks (1.35, 3.02, 42.11 ppm; 3.55 A): 4 out of 14 assignments used, quality = 1.00: HG2 LYS 42 + HE3 LYS 42 OK 97 100 - 97 - 3.6=95, 2.9/2207=7...(9) HG2 LYS 42 + HE2 LYS 42 OK 97 100 - 97 - 3.6=95, 2.9/2207=7...(9) HG3 LYS 42 + HE3 LYS 42 OK 97 100 - 97 - 3.6=95, 2.9/2207=7...(9) * HG3 LYS 42 + HE2 LYS 42 OK 97 100 - 97 - 3.6=95, 2.9/2207=7...(9) QB ALA 38 - HE2 LYS 42 OK 19 97 - 20 - 4407/4.9=6, 4409/4.9=5...(7) QB ALA 38 - HE3 LYS 42 OK 19 97 - 20 - 4407/4.9=6, 4409/4.9=5...(7) HG2 ARG 34 - HE2 LYS 42 lone 2 95 - 2 - HG2 ARG 34 - HE3 LYS 42 lone 2 95 - 2 - HG2 LYS 58 - HE2 LYS 42 lone 1 100 - 1 - HG2 LYS 58 - HE3 LYS 42 lone 1 100 - 1 - HD3 LYS 27 - HE2 LYS 42 lone 1 81 - 1 - HD3 LYS 27 - HE3 LYS 42 lone 1 81 - 1 - HG13 ILE 17 - HE3 LYS 42 lone 1 81 - 1 - HG13 ILE 17 - HE2 LYS 42 lone 1 81 - 1 - Peak 2211 from cnoeabs.peaks (1.72, 3.02, 42.11 ppm; 3.31 A): 2 out of 2 assignments used, quality = 1.00: HD2 LYS 42 + HE3 LYS 42 OK 100 100 - 100 - 3.0=100 * HD2 LYS 42 + HE2 LYS 42 OK 100 100 - 100 - 3.0=100 Peak 2212 from cnoeabs.peaks (1.66, 3.02, 42.11 ppm; 3.68 A): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 42 + HE3 LYS 42 OK 100 100 - 100 - 3.0=100 * HD3 LYS 42 + HE2 LYS 42 OK 100 100 - 100 - 3.0=100 Peak 2213 from cnoeabs.peaks (3.02, 3.02, 42.11 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 42 + HE3 LYS 42 OK 100 100 - 100 * HE2 LYS 42 + HE2 LYS 42 OK 100 100 - 100 Peak 2214 from cnoeabs.peaks (3.02, 3.02, 42.11 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 42 + HE3 LYS 42 OK 100 100 - 100 HE2 LYS 42 + HE2 LYS 42 OK 100 100 - 100 Reference assignment not found: HE3 LYS 42 - HE2 LYS 42 Peak 2216 from cnoeabs.peaks (3.98, 3.02, 42.11 ppm; 4.46 A): 2 out of 12 assignments used, quality = 0.98: HA LYS 42 + HE2 LYS 42 OK 86 100 - 86 - 6.7=30, 2186/3.0=17...(18) * HA LYS 42 + HE3 LYS 42 OK 86 100 - 86 - 6.7=30, 2186/3.0=17...(18) HA ALA 35 - HE3 LYS 42 OK 24 100 - 25 - 3747/3.6=6, 3747/3.6=6...(6) HA ALA 35 - HE2 LYS 42 OK 24 100 - 25 - 3747/3.6=6, 3747/3.6=6...(6) HB3 SER 24 - HE2 LYS 42 lone 10 98 - 10 - 2186/3.0=2, 2196/3.0=2...(4) HB3 SER 24 - HE3 LYS 42 lone 10 98 - 10 - 2186/3.0=2, 2196/3.0=2...(4) HB2 SER 24 - HE2 LYS 42 lone 10 97 - 10 - 2186/3.0=2, 2196/3.0=2...(4) HB2 SER 24 - HE3 LYS 42 lone 10 97 - 10 - 2186/3.0=2, 2196/3.0=2...(4) HA GLN 47 - HE3 LYS 42 lone 4 78 - 5 - HA GLN 47 - HE2 LYS 42 lone 4 78 - 5 - HB2 SER 30 - HE2 LYS 42 lone 1 57 - 2 - HB2 SER 30 - HE3 LYS 42 lone 1 57 - 2 - Peak 2217 from cnoeabs.peaks (1.89, 3.02, 42.11 ppm; 4.86 A): 2 out of 8 assignments used, quality = 1.00: * HB2 LYS 42 + HE3 LYS 42 OK 99 100 - 99 - 4.9=95, ~2198=21...(20) HB2 LYS 42 + HE2 LYS 42 OK 99 100 - 99 - 4.9=95, ~2198=21...(20) HB3 LYS 49 - HE3 LYS 42 lone 7 98 - 7 - HB3 LYS 49 - HE2 LYS 42 lone 7 98 - 7 - HG LEU 41 - HE2 LYS 42 lone 6 76 - 8 - 673/6.9=5 HG LEU 41 - HE3 LYS 42 lone 6 76 - 8 - 673/6.9=5 HB2 GLU 33 - HE2 LYS 42 lone 3 99 - 3 - 673/6.9=1 HB2 GLU 33 - HE3 LYS 42 lone 3 99 - 3 - 673/6.9=1 Peak 2219 from cnoeabs.peaks (1.35, 3.02, 42.11 ppm; 3.55 A): 4 out of 14 assignments used, quality = 1.00: * HG2 LYS 42 + HE3 LYS 42 OK 97 100 - 97 - 3.6=95, 2.9/2207=7...(9) HG2 LYS 42 + HE2 LYS 42 OK 97 100 - 97 - 3.6=95, 2.9/2207=7...(9) HG3 LYS 42 + HE3 LYS 42 OK 97 100 - 97 - 3.6=95, 2.9/2207=7...(9) HG3 LYS 42 + HE2 LYS 42 OK 97 100 - 97 - 3.6=95, 2.9/2207=7...(9) QB ALA 38 - HE2 LYS 42 OK 19 97 - 20 - 4407/4.9=6, 4409/4.9=5...(7) QB ALA 38 - HE3 LYS 42 OK 19 97 - 20 - 4407/4.9=6, 4409/4.9=5...(7) HG2 ARG 34 - HE2 LYS 42 lone 2 95 - 2 - HG2 ARG 34 - HE3 LYS 42 lone 2 95 - 2 - HG2 LYS 58 - HE2 LYS 42 lone 1 100 - 1 - HG2 LYS 58 - HE3 LYS 42 lone 1 100 - 1 - HD3 LYS 27 - HE2 LYS 42 lone 1 81 - 1 - HD3 LYS 27 - HE3 LYS 42 lone 1 81 - 1 - HG13 ILE 17 - HE3 LYS 42 lone 1 81 - 1 - HG13 ILE 17 - HE2 LYS 42 lone 1 81 - 1 - Peak 2220 from cnoeabs.peaks (1.35, 3.02, 42.11 ppm; 3.55 A): 4 out of 14 assignments used, quality = 1.00: HG2 LYS 42 + HE3 LYS 42 OK 97 100 - 97 - 3.6=95, 2.9/2207=7...(9) HG2 LYS 42 + HE2 LYS 42 OK 97 100 - 97 - 3.6=95, 2.9/2207=7...(9) * HG3 LYS 42 + HE3 LYS 42 OK 97 100 - 97 - 3.6=95, 2.9/2207=7...(9) HG3 LYS 42 + HE2 LYS 42 OK 97 100 - 97 - 3.6=95, 2.9/2207=7...(9) QB ALA 38 - HE2 LYS 42 OK 19 97 - 20 - 4407/4.9=6, 4409/4.9=5...(7) QB ALA 38 - HE3 LYS 42 OK 19 97 - 20 - 4407/4.9=6, 4409/4.9=5...(7) HG2 ARG 34 - HE2 LYS 42 lone 2 95 - 2 - HG2 ARG 34 - HE3 LYS 42 lone 2 95 - 2 - HG2 LYS 58 - HE2 LYS 42 lone 1 100 - 1 - HG2 LYS 58 - HE3 LYS 42 lone 1 100 - 1 - HD3 LYS 27 - HE2 LYS 42 lone 1 81 - 1 - HD3 LYS 27 - HE3 LYS 42 lone 1 81 - 1 - HG13 ILE 17 - HE3 LYS 42 lone 1 81 - 1 - HG13 ILE 17 - HE2 LYS 42 lone 1 81 - 1 - Peak 2221 from cnoeabs.peaks (1.72, 3.02, 42.11 ppm; 3.31 A): 2 out of 2 assignments used, quality = 1.00: * HD2 LYS 42 + HE3 LYS 42 OK 100 100 - 100 - 3.0=100 HD2 LYS 42 + HE2 LYS 42 OK 100 100 - 100 - 3.0=100 Peak 2222 from cnoeabs.peaks (1.66, 3.02, 42.11 ppm; 3.68 A): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 42 + HE3 LYS 42 OK 100 100 - 100 - 3.0=100 HD3 LYS 42 + HE2 LYS 42 OK 100 100 - 100 - 3.0=100 Peak 2223 from cnoeabs.peaks (3.02, 3.02, 42.11 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 42 + HE3 LYS 42 OK 100 100 - 100 HE2 LYS 42 + HE2 LYS 42 OK 100 100 - 100 Reference assignment not found: HE2 LYS 42 - HE3 LYS 42 Peak 2224 from cnoeabs.peaks (3.02, 3.02, 42.11 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 42 + HE3 LYS 42 OK 100 100 - 100 HE2 LYS 42 + HE2 LYS 42 OK 100 100 - 100 Peak 2225 from cnoeabs.peaks (8.33, 4.87, 52.54 ppm; 3.69 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 43 + HA LEU 43 OK 100 100 - 100 - 3.0=100 Peak 2226 from cnoeabs.peaks (4.87, 4.87, 52.54 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 43 + HA LEU 43 OK 100 100 - 100 Peak 2227 from cnoeabs.peaks (1.23, 4.87, 52.54 ppm; 3.59 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 43 + HA LEU 43 OK 100 100 - 100 - 3.0=100 Peak 2228 from cnoeabs.peaks (1.60, 4.87, 52.54 ppm; 3.79 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 43 + HA LEU 43 OK 100 100 - 100 - 3.0=100 Peak 2229 from cnoeabs.peaks (1.47, 4.87, 52.54 ppm; 3.47 A): 1 out of 5 assignments used, quality = 0.96: * HG LEU 43 + HA LEU 43 OK 96 100 - 96 - 3.7=86, 2.1/2254=37...(10) HB3 LEU 29 - HA LEU 43 lone 8 97 - 8 - 685/3.0=3, 202/3.6=2...(4) QB ALA 35 - HA LEU 43 lone 7 92 - 7 - 685/3.0=3, ~189=2, 202/3.6=1 HG3 LYS 58 - HA LEU 43 lone 4 89 - 4 - HG3 ARG 56 - HA LEU 43 lone 1 87 - 1 - Peak 2230 from cnoeabs.peaks (0.85, 4.87, 52.54 ppm; 2.93 A): 1 out of 4 assignments used, quality = 0.73: * QD2 LEU 43 + HA LEU 43 OK 73 100 - 73 - 2254=41, 2.1/2229=20...(10) QD2 LEU 68 - HA LEU 43 lone 6 100 - 6 - 686/3.0=2, 203/3.6=2 QD1 LEU 68 - HA LEU 43 lone 5 99 - 5 - 686/3.0=2, 203/3.6=1 QD2 LEU 64 - HA LEU 43 lone 3 99 - 3 - 686/3.0=1 Peak 2231 from cnoeabs.peaks (0.66, 4.87, 52.54 ppm; 4.21 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 43 + HA LEU 43 OK 100 100 - 100 - 4.0=100 Peak 2232 from cnoeabs.peaks (8.33, 1.23, 47.68 ppm; 3.87 A): 1 out of 4 assignments used, quality = 0.98: * H LEU 43 + HB2 LEU 43 OK 98 100 - 98 - 4.0=87, 687/3.1=25...(14) H ARG 21 - HB2 LEU 43 OK 14 89 - 16 - 2253/3.1=4, 2246/3.0=3...(5) H LYS 62 - HB2 LEU 43 lone 3 65 - 4 - H SER 65 - HB2 LEU 43 lone 1 68 - 2 - Peak 2233 from cnoeabs.peaks (4.87, 1.23, 47.68 ppm; 4.11 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 43 + HB2 LEU 43 OK 100 100 - 100 - 3.0=100 Peak 2234 from cnoeabs.peaks (1.23, 1.23, 47.68 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 43 + HB2 LEU 43 OK 100 100 - 100 Peak 2235 from cnoeabs.peaks (1.60, 1.23, 47.68 ppm; 2.95 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 43 + HB2 LEU 43 OK 100 100 - 100 - 1.8=100 Peak 2236 from cnoeabs.peaks (1.47, 1.23, 47.68 ppm; 3.66 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 43 + HB2 LEU 43 OK 100 100 - 100 - 3.0=100 Peak 2237 from cnoeabs.peaks (0.85, 1.23, 47.68 ppm; 3.92 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 43 + HB2 LEU 43 OK 100 100 - 100 - 3.1=100 Peak 2238 from cnoeabs.peaks (0.66, 1.23, 47.68 ppm; 3.50 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 43 + HB2 LEU 43 OK 100 100 - 100 - 3.1=100 Peak 2239 from cnoeabs.peaks (8.33, 1.60, 47.68 ppm; 4.20 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 43 + HB3 LEU 43 OK 100 100 - 100 - 4.0=100 Peak 2240 from cnoeabs.peaks (4.87, 1.60, 47.68 ppm; 3.99 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 43 + HB3 LEU 43 OK 100 100 - 100 - 3.0=100 Peak 2241 from cnoeabs.peaks (1.23, 1.60, 47.68 ppm; 3.07 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 43 + HB3 LEU 43 OK 100 100 - 100 - 1.8=100 Peak 2242 from cnoeabs.peaks (1.60, 1.60, 47.68 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 43 + HB3 LEU 43 OK 100 100 - 100 Peak 2243 from cnoeabs.peaks (1.47, 1.60, 47.68 ppm; 3.62 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 43 + HB3 LEU 43 OK 100 100 - 100 - 3.0=100 Peak 2244 from cnoeabs.peaks (0.85, 1.60, 47.68 ppm; 3.75 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 43 + HB3 LEU 43 OK 100 100 - 100 - 3.1=100 Peak 2245 from cnoeabs.peaks (0.66, 1.60, 47.68 ppm; 3.55 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 43 + HB3 LEU 43 OK 100 100 - 100 - 3.1=100 Peak 2246 from cnoeabs.peaks (8.33, 1.47, 26.44 ppm; 4.44 A): 1 out of 4 assignments used, quality = 0.97: * H LEU 43 + HG LEU 43 OK 97 100 - 97 - 5.3=60, 687/2.1=39...(11) H ARG 21 - HG LEU 43 OK 16 89 - 18 - 2253/2.1=6, 2232/3.0=4...(6) H LYS 62 - HG LEU 43 lone 3 65 - 4 - 2253/2.1=1 H SER 65 - HG LEU 43 lone 2 68 - 2 - Peak 2247 from cnoeabs.peaks (4.87, 1.47, 26.44 ppm; 4.31 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 43 + HG LEU 43 OK 100 100 - 100 - 3.7=100 Peak 2248 from cnoeabs.peaks (1.23, 1.47, 26.44 ppm; 3.74 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 43 + HG LEU 43 OK 100 100 - 100 - 3.0=100 Peak 2249 from cnoeabs.peaks (1.60, 1.47, 26.44 ppm; 3.42 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 43 + HG LEU 43 OK 100 100 - 100 - 3.0=100 Peak 2250 from cnoeabs.peaks (1.47, 1.47, 26.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 43 + HG LEU 43 OK 100 100 - 100 Peak 2251 from cnoeabs.peaks (0.85, 1.47, 26.44 ppm; 3.42 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 43 + HG LEU 43 OK 100 100 - 100 - 2.1=100 Peak 2252 from cnoeabs.peaks (0.66, 1.47, 26.44 ppm; 4.01 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 43 + HG LEU 43 OK 100 100 - 100 - 2.1=100 Peak 2253 from cnoeabs.peaks (8.33, 0.85, 24.31 ppm; 4.62 A): 1 out of 4 assignments used, quality = 0.99: * H LEU 43 + QD2 LEU 43 OK 99 100 - 99 - 4.8=90, 3.0/2254=45...(8) H ARG 21 - QD2 LEU 43 OK 22 89 - 24 - 2246/2.1=5, 2232/3.1=5...(7) H LYS 62 - QD2 LEU 43 lone 4 65 - 5 - H SER 65 - QD2 LEU 43 lone 2 68 - 3 - Peak 2254 from cnoeabs.peaks (4.87, 0.85, 24.31 ppm; 3.13 A): 1 out of 1 assignment used, quality = 0.79: * HA LEU 43 + QD2 LEU 43 OK 79 100 - 79 - 4.0=46, 2229/2.1=22...(10) Peak 2255 from cnoeabs.peaks (1.23, 0.85, 24.31 ppm; 3.83 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 43 + QD2 LEU 43 OK 100 100 - 100 - 3.1=100 Peak 2256 from cnoeabs.peaks (1.60, 0.85, 24.31 ppm; 3.29 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 43 + QD2 LEU 43 OK 100 100 - 100 - 3.1=100 Peak 2257 from cnoeabs.peaks (1.47, 0.85, 24.31 ppm; 3.09 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 43 + QD2 LEU 43 OK 100 100 - 100 - 2.1=100 Peak 2258 from cnoeabs.peaks (0.85, 0.85, 24.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 43 + QD2 LEU 43 OK 100 100 - 100 Peak 2259 from cnoeabs.peaks (0.66, 0.85, 24.31 ppm; 2.83 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 43 + QD2 LEU 43 OK 100 100 - 100 - 2.1=100 Peak 2260 from cnoeabs.peaks (8.33, 0.66, 27.60 ppm; 4.80 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 43 + QD1 LEU 43 OK 100 100 - 100 - 4.8=100 Peak 2261 from cnoeabs.peaks (4.87, 0.66, 27.60 ppm; 4.82 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 43 + QD1 LEU 43 OK 100 100 - 100 - 4.0=100 Peak 2262 from cnoeabs.peaks (1.23, 0.66, 27.60 ppm; 3.71 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 43 + QD1 LEU 43 OK 100 100 - 100 - 3.1=100 Peak 2263 from cnoeabs.peaks (1.60, 0.66, 27.60 ppm; 3.46 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 43 + QD1 LEU 43 OK 100 100 - 100 - 3.1=100 Peak 2264 from cnoeabs.peaks (1.47, 0.66, 27.60 ppm; 3.47 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 43 + QD1 LEU 43 OK 100 100 - 100 - 2.1=100 Peak 2265 from cnoeabs.peaks (0.85, 0.66, 27.60 ppm; 3.18 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 43 + QD1 LEU 43 OK 100 100 - 100 - 2.1=100 Peak 2266 from cnoeabs.peaks (0.66, 0.66, 27.60 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 43 + QD1 LEU 43 OK 100 100 - 100 Peak 2267 from cnoeabs.peaks (8.84, 4.65, 60.29 ppm; 3.97 A): 1 out of 1 assignment used, quality = 1.00: * H THR 44 + HA THR 44 OK 100 100 - 100 - 2.9=100 Peak 2268 from cnoeabs.peaks (4.65, 4.65, 60.29 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA THR 44 + HA THR 44 OK 100 100 - 100 Peak 2269 from cnoeabs.peaks (4.78, 4.65, 60.29 ppm; 3.97 A): 1 out of 1 assignment used, quality = 1.00: * HB THR 44 + HA THR 44 OK 100 100 - 100 - 3.0=100 Peak 2270 from cnoeabs.peaks (1.28, 4.65, 60.29 ppm; 3.26 A): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 44 + HA THR 44 OK 100 100 - 100 - 3.2=100 Peak 2271 from cnoeabs.peaks (8.84, 4.78, 70.74 ppm; 5.01 A): 1 out of 1 assignment used, quality = 1.00: * H THR 44 + HB THR 44 OK 100 100 - 100 - 4.0=100 Peak 2272 from cnoeabs.peaks (4.65, 4.78, 70.74 ppm; 4.68 A): 1 out of 1 assignment used, quality = 1.00: * HA THR 44 + HB THR 44 OK 100 100 - 100 - 3.0=100 Peak 2273 from cnoeabs.peaks (4.78, 4.78, 70.74 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 44 + HB THR 44 OK 100 100 - 100 Peak 2274 from cnoeabs.peaks (1.28, 4.78, 70.74 ppm; 4.87 A): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 44 + HB THR 44 OK 100 100 - 100 - 2.1=100 Peak 2275 from cnoeabs.peaks (8.84, 1.28, 21.70 ppm; 3.20 A): 2 out of 2 assignments used, quality = 0.65: * H THR 44 + QG2 THR 44 OK 61 100 - 61 - 4.0=51, 4.6/208=11...(5) H THR 44 + QG2 THR 59 OK 11 89 - 12 - 691=8, 4.5/4502=2 Peak 2276 from cnoeabs.peaks (4.65, 1.28, 21.70 ppm; 3.23 A): 1 out of 1 assignment used, quality = 1.00: * HA THR 44 + QG2 THR 44 OK 100 100 - 100 - 3.2=100 Peak 2277 from cnoeabs.peaks (4.78, 1.28, 21.70 ppm; 2.92 A): 1 out of 1 assignment used, quality = 1.00: * HB THR 44 + QG2 THR 44 OK 100 100 - 100 - 2.1=100 Peak 2278 from cnoeabs.peaks (1.28, 1.28, 21.70 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QG2 THR 44 + QG2 THR 44 OK 100 100 - 100 QG2 THR 59 + QG2 THR 59 OK 83 83 - 100 Peak 2279 from cnoeabs.peaks (9.24, 3.64, 61.08 ppm; 4.03 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 45 + HA GLU 45 OK 100 100 - 100 - 3.0=100 Peak 2280 from cnoeabs.peaks (3.64, 3.64, 61.08 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 45 + HA GLU 45 OK 100 100 - 100 Peak 2281 from cnoeabs.peaks (2.04, 3.64, 61.08 ppm; 3.25 A): 2 out of 2 assignments used, quality = 1.00: * HB2 GLU 45 + HA GLU 45 OK 100 100 - 100 - 3.0=100 HB3 GLU 45 + HA GLU 45 OK 100 100 - 100 - 3.0=100 Peak 2282 from cnoeabs.peaks (2.05, 3.64, 61.08 ppm; 3.25 A): 2 out of 2 assignments used, quality = 1.00: * HB3 GLU 45 + HA GLU 45 OK 100 100 - 100 - 3.0=100 HB2 GLU 45 + HA GLU 45 OK 100 100 - 100 - 3.0=100 Peak 2283 from cnoeabs.peaks (2.40, 3.64, 61.08 ppm; 3.96 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 45 + HA GLU 45 OK 100 100 - 100 - 3.9=100 Peak 2284 from cnoeabs.peaks (2.07, 3.64, 61.08 ppm; 3.12 A): 2 out of 2 assignments used, quality = 0.90: HB3 GLU 45 + HA GLU 45 OK 71 71 - 100 - 3.0=100 HB2 GLU 45 + HA GLU 45 OK 65 65 - 100 - 3.0=100 Reference assignment not found: HG3 GLU 45 - HA GLU 45 Peak 2285 from cnoeabs.peaks (9.24, 2.04, 29.23 ppm; 4.23 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 45 + HB2 GLU 45 OK 100 100 - 100 - 4.0=100 H GLU 45 + HB3 GLU 45 OK 100 100 - 100 - 4.0=100 Peak 2286 from cnoeabs.peaks (3.64, 2.04, 29.23 ppm; 3.61 A): 2 out of 2 assignments used, quality = 1.00: * HA GLU 45 + HB2 GLU 45 OK 100 100 - 100 - 3.0=100 HA GLU 45 + HB3 GLU 45 OK 100 100 - 100 - 3.0=100 Peak 2287 from cnoeabs.peaks (2.04, 2.04, 29.23 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB2 GLU 45 + HB2 GLU 45 OK 100 100 - 100 HB3 GLU 45 + HB3 GLU 45 OK 100 100 - 100 HB3 GLU 20 + HB3 GLU 20 OK 66 66 - 100 Peak 2288 from cnoeabs.peaks (2.05, 2.04, 29.23 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB2 GLU 45 + HB2 GLU 45 OK 100 100 - 100 HB3 GLU 45 + HB3 GLU 45 OK 100 100 - 100 HB3 GLU 20 + HB3 GLU 20 OK 65 65 - 100 Reference assignment not found: HB3 GLU 45 - HB2 GLU 45 Peak 2289 from cnoeabs.peaks (2.40, 2.04, 29.23 ppm; 3.25 A): 2 out of 3 assignments used, quality = 1.00: * HG2 GLU 45 + HB2 GLU 45 OK 100 100 - 100 - 3.0=100 HG2 GLU 45 + HB3 GLU 45 OK 100 100 - 100 - 3.0=100 HG3 GLU 20 - HB3 GLU 20 OK 40 40 - 100 - 3.0=100 Peak 2290 from cnoeabs.peaks (2.07, 2.04, 29.23 ppm; diagonal): 2 out of 2 assignments used, quality = 0.90: HB3 GLU 45 + HB3 GLU 45 OK 70 70 - 100 HB2 GLU 45 + HB2 GLU 45 OK 65 65 - 100 Reference assignment not found: HG3 GLU 45 - HB2 GLU 45 Peak 2291 from cnoeabs.peaks (9.24, 2.05, 29.23 ppm; 4.23 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 45 + HB3 GLU 45 OK 100 100 - 100 - 4.0=100 H GLU 45 + HB2 GLU 45 OK 100 100 - 100 - 4.0=100 Peak 2292 from cnoeabs.peaks (3.64, 2.05, 29.23 ppm; 3.61 A): 2 out of 2 assignments used, quality = 1.00: * HA GLU 45 + HB3 GLU 45 OK 100 100 - 100 - 3.0=100 HA GLU 45 + HB2 GLU 45 OK 100 100 - 100 - 3.0=100 Peak 2293 from cnoeabs.peaks (2.04, 2.05, 29.23 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB3 GLU 45 + HB3 GLU 45 OK 100 100 - 100 HB2 GLU 45 + HB2 GLU 45 OK 100 100 - 100 HB3 GLU 20 + HB3 GLU 20 OK 64 64 - 100 Reference assignment not found: HB2 GLU 45 - HB3 GLU 45 Peak 2294 from cnoeabs.peaks (2.05, 2.05, 29.23 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 GLU 45 + HB3 GLU 45 OK 100 100 - 100 HB2 GLU 45 + HB2 GLU 45 OK 100 100 - 100 HB3 GLU 20 + HB3 GLU 20 OK 63 63 - 100 Peak 2295 from cnoeabs.peaks (2.40, 2.05, 29.23 ppm; 3.25 A): 2 out of 3 assignments used, quality = 1.00: * HG2 GLU 45 + HB3 GLU 45 OK 100 100 - 100 - 3.0=100 HG2 GLU 45 + HB2 GLU 45 OK 100 100 - 100 - 3.0=100 HG3 GLU 20 - HB3 GLU 20 OK 39 39 - 100 - 3.0=100 Peak 2296 from cnoeabs.peaks (2.07, 2.05, 29.23 ppm; diagonal): 2 out of 2 assignments used, quality = 0.90: HB3 GLU 45 + HB3 GLU 45 OK 71 71 - 100 HB2 GLU 45 + HB2 GLU 45 OK 65 65 - 100 Reference assignment not found: HG3 GLU 45 - HB3 GLU 45 Peak 2297 from cnoeabs.peaks (9.24, 2.40, 37.98 ppm; 3.87 A): 1 out of 1 assignment used, quality = 0.89: * H GLU 45 + HG2 GLU 45 OK 89 100 - 89 - 4.7=57, 2303/1.8=31...(12) Peak 2298 from cnoeabs.peaks (3.64, 2.40, 37.98 ppm; 3.82 A): 1 out of 4 assignments used, quality = 0.99: * HA GLU 45 + HG2 GLU 45 OK 99 100 - 99 - 3.9=97, 3.0/2297=29...(12) HA ALA 38 - HG2 GLU 45 OK 25 60 - 42 - 2.1/4410=20, ~4517=9...(7) HA LEU 19 - HG2 GLU 45 OK 14 100 - 13 - 2304/1.8=3, 3702=3...(5) HA VAL 48 - HG2 GLU 45 OK 12 95 - 13 - 3.0/224=3, 2304/1.8=3...(5) Peak 2299 from cnoeabs.peaks (2.04, 2.40, 37.98 ppm; 2.81 A): 1 out of 1 assignment used, quality = 0.65: HG3 GLU 45 + HG2 GLU 45 OK 65 65 - 100 - 1.8=100 Reference assignment not found: HB2 GLU 45 - HG2 GLU 45 Peak 2300 from cnoeabs.peaks (2.05, 2.40, 37.98 ppm; 2.81 A): 1 out of 1 assignment used, quality = 0.71: HG3 GLU 45 + HG2 GLU 45 OK 71 71 - 100 - 1.8=100 Reference assignment not found: HB3 GLU 45 - HG2 GLU 45 Peak 2301 from cnoeabs.peaks (2.40, 2.40, 37.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 45 + HG2 GLU 45 OK 100 100 - 100 Peak 2302 from cnoeabs.peaks (2.07, 2.40, 37.98 ppm; 2.56 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 45 + HG2 GLU 45 OK 100 100 - 100 - 1.8=100 Peak 2303 from cnoeabs.peaks (9.24, 2.07, 37.98 ppm; 4.33 A): 1 out of 1 assignment used, quality = 0.96: * H GLU 45 + HG3 GLU 45 OK 96 100 - 96 - 4.7=80, 2297/1.8=44...(10) Peak 2304 from cnoeabs.peaks (3.64, 2.07, 37.98 ppm; 3.75 A): 1 out of 4 assignments used, quality = 0.97: * HA GLU 45 + HG3 GLU 45 OK 97 100 - 97 - 3.9=92, 2298/1.8=24...(13) HA ALA 38 - HG3 GLU 45 OK 25 60 - 42 - ~4410=13, 2.1/4517=13...(8) HA VAL 48 - HG3 GLU 45 OK 11 95 - 12 - 2298/1.8=3, ~224=2...(5) HA LEU 19 - HG3 GLU 45 OK 10 100 - 10 - 2298/1.8=3, 3700/3.0=1...(5) Peak 2305 from cnoeabs.peaks (2.04, 2.07, 37.98 ppm; diagonal): 1 out of 1 assignment used, quality = 0.65: HG3 GLU 45 + HG3 GLU 45 OK 65 65 - 100 Reference assignment not found: HB2 GLU 45 - HG3 GLU 45 Peak 2306 from cnoeabs.peaks (2.05, 2.07, 37.98 ppm; diagonal): 1 out of 1 assignment used, quality = 0.71: HG3 GLU 45 + HG3 GLU 45 OK 71 71 - 100 Reference assignment not found: HB3 GLU 45 - HG3 GLU 45 Peak 2307 from cnoeabs.peaks (2.40, 2.07, 37.98 ppm; 2.66 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 45 + HG3 GLU 45 OK 100 100 - 100 - 1.8=100 Peak 2308 from cnoeabs.peaks (2.07, 2.07, 37.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 45 + HG3 GLU 45 OK 100 100 - 100 Peak 2309 from cnoeabs.peaks (8.14, 3.90, 66.50 ppm; 3.86 A): 1 out of 1 assignment used, quality = 1.00: * H THR 46 + HA THR 46 OK 100 100 - 100 - 2.9=100 Peak 2310 from cnoeabs.peaks (3.90, 3.90, 66.50 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA THR 46 + HA THR 46 OK 100 100 - 100 Peak 2311 from cnoeabs.peaks (4.06, 3.90, 66.50 ppm; 3.12 A): 1 out of 1 assignment used, quality = 1.00: * HB THR 46 + HA THR 46 OK 100 100 - 100 - 3.0=100 Peak 2312 from cnoeabs.peaks (1.25, 3.90, 66.50 ppm; 3.15 A): 1 out of 5 assignments used, quality = 0.97: * QG2 THR 46 + HA THR 46 OK 97 100 - 97 - 3.2=95, 701/2.9=15...(7) HD2 LYS 27 - HA THR 46 OK 13 83 - 16 - 1647=3, 1.8/1657=3...(7) HB2 LEU 29 - HA THR 46 lone 6 99 - 6 - 218/3.6=1, 4584/3778=1 HB2 LEU 43 - HA THR 46 lone 4 71 - 5 - 218/3.6=4 HG LEU 19 - HA THR 46 lone 2 97 - 2 - 218/3.6=1 Peak 2313 from cnoeabs.peaks (8.14, 4.06, 68.82 ppm; 3.68 A): 1 out of 12 assignments used, quality = 0.88: * H THR 46 + HB THR 46 OK 88 100 - 88 - 4.0=77, 701/2.1=25...(5) H SER 24 - HB THR 46 lone 7 92 - 8 - 3.6/4800=5 H ALA 35 - HB THR 46 lone 5 98 - 5 - 215/4.5=2 H LYS 27 - HB THR 46 lone 2 78 - 2 - H LEU 68 - HB THR 46 lone 1 100 - 1 - H ARG 61 - HB THR 46 lone 1 57 - 2 - H LYS 27 - HB THR 14 lone 1 34 - 3 - H THR 46 - HB THR 14 lone 1 51 - 2 - H ALA 35 - HB THR 14 lone 1 48 - 1 - H SER 24 - HB THR 14 lone 0 43 - 1 - H LEU 68 - HB THR 14 lone 0 51 - 1 - H ARG 61 - HB THR 14 lone 0 23 - 1 - Peak 2314 from cnoeabs.peaks (3.90, 4.06, 68.82 ppm; 3.18 A): 1 out of 1 assignment used, quality = 1.00: * HA THR 46 + HB THR 46 OK 100 100 - 100 - 3.0=100 Peak 2315 from cnoeabs.peaks (4.06, 4.06, 68.82 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HB THR 46 + HB THR 46 OK 100 100 - 100 HB THR 14 - HB THR 14 OK 43 43 - 100 Peak 2316 from cnoeabs.peaks (1.25, 4.06, 68.82 ppm; 2.93 A): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 46 + HB THR 46 OK 100 100 - 100 - 2.1=100 Peak 2317 from cnoeabs.peaks (8.14, 1.25, 21.98 ppm; 4.48 A): 1 out of 1 assignment used, quality = 1.00: * H THR 46 + QG2 THR 46 OK 100 100 - 100 - 4.0=100 Peak 2318 from cnoeabs.peaks (3.90, 1.25, 21.98 ppm; 3.30 A): 1 out of 1 assignment used, quality = 1.00: * HA THR 46 + QG2 THR 46 OK 100 100 - 100 - 3.2=100 Peak 2319 from cnoeabs.peaks (4.06, 1.25, 21.98 ppm; 3.09 A): 1 out of 1 assignment used, quality = 1.00: * HB THR 46 + QG2 THR 46 OK 100 100 - 100 - 2.1=100 Peak 2320 from cnoeabs.peaks (1.25, 1.25, 21.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 46 + QG2 THR 46 OK 100 100 - 100 Peak 2321 from cnoeabs.peaks (8.05, 3.96, 59.66 ppm; 3.56 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 47 + HA GLN 47 OK 100 100 - 100 - 3.0=100 Peak 2322 from cnoeabs.peaks (3.96, 3.96, 59.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLN 47 + HA GLN 47 OK 100 100 - 100 Peak 2323 from cnoeabs.peaks (2.58, 3.96, 59.66 ppm; 3.49 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 47 + HA GLN 47 OK 100 100 - 100 - 3.0=100 Peak 2324 from cnoeabs.peaks (1.83, 3.96, 59.66 ppm; 3.42 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 47 + HA GLN 47 OK 100 100 - 100 - 3.0=100 Peak 2325 from cnoeabs.peaks (2.55, 3.96, 59.66 ppm; 3.38 A): 1 out of 1 assignment used, quality = 0.96: * HG2 GLN 47 + HA GLN 47 OK 96 100 - 96 - 3.8=69, 2347/3.0=30...(17) Peak 2326 from cnoeabs.peaks (2.40, 3.96, 59.66 ppm; 3.39 A): 1 out of 7 assignments used, quality = 0.95: * HG3 GLN 47 + HA GLN 47 OK 95 100 - 95 - 3.8=70, 1.8/2325=36...(17) HG2 MET 11 - HA GLN 47 OK 13 89 - 14 - 4730/5.8=5, 4733/5.8=5...(4) HG2 GLU 45 - HA GLN 47 OK 13 100 - 13 - 707/3.0=5, 4525=2...(4) HB3 LYS 22 - HA GLN 47 poor 9 76 - 12 - 707/3.0=2, 224/3.6=2...(4) HG3 GLU 18 - HA GLN 47 lone 4 100 - 4 - HG3 GLU 20 - HA GLN 47 lone 2 83 - 3 - HD2 ARG 55 - HA GLN 47 lone 2 100 - 2 - Peak 2327 from cnoeabs.peaks (6.91, 3.96, 59.66 ppm; 5.04 A): 1 out of 3 assignments used, quality = 0.99: * HE21 GLN 47 + HA GLN 47 OK 99 100 - 99 - 5.8=65, 3.4/2325=44...(17) HD22 ASN 54 - HA GLN 47 OK 21 100 - 21 - 4661/4543=8, 4599/4544=6...(7) HE21 GLN 53 - HA GLN 47 lone 3 71 - 4 - 4599/4544=2 Peak 2329 from cnoeabs.peaks (8.05, 2.58, 29.96 ppm; 3.98 A): 1 out of 6 assignments used, quality = 1.00: * H GLN 47 + HB2 GLN 47 OK 100 100 - 100 - 4.0=98, 706/3.0=38...(14) H LEU 41 - HB2 GLN 47 OK 20 100 - 20 - 1008/4.7=5, 2345/3.0=4...(7) H LEU 37 - HB2 GLN 47 OK 14 92 - 15 - 992/4.7=4, 2345/3.0=3...(5) H ARG 55 - HB2 GLN 47 poor 8 76 - 11 - ~3839=2, 4.0/4549=2...(5) H LYS 22 - HB2 GLN 47 lone 8 78 - 10 - 219/4.7=2, 559/1.8=2...(4) H GLN 53 - HB2 GLN 47 lone 4 87 - 4 - Peak 2330 from cnoeabs.peaks (3.96, 2.58, 29.96 ppm; 4.15 A): 1 out of 1 assignment used, quality = 1.00: * HA GLN 47 + HB2 GLN 47 OK 100 100 - 100 - 3.0=100 Peak 2331 from cnoeabs.peaks (2.58, 2.58, 29.96 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 47 + HB2 GLN 47 OK 100 100 - 100 Peak 2332 from cnoeabs.peaks (1.83, 2.58, 29.96 ppm; 3.07 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 47 + HB2 GLN 47 OK 100 100 - 100 - 1.8=100 Peak 2333 from cnoeabs.peaks (2.55, 2.58, 29.96 ppm; 3.08 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 47 + HB2 GLN 47 OK 100 100 - 100 - 3.0=100 Peak 2334 from cnoeabs.peaks (2.40, 2.58, 29.96 ppm; 3.85 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 47 + HB2 GLN 47 OK 100 100 - 100 - 3.0=100 Peak 2337 from cnoeabs.peaks (8.05, 1.83, 29.96 ppm; 4.04 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 47 + HB3 GLN 47 OK 100 100 - 100 - 4.0=100 Peak 2338 from cnoeabs.peaks (3.96, 1.83, 29.96 ppm; 3.71 A): 1 out of 1 assignment used, quality = 1.00: * HA GLN 47 + HB3 GLN 47 OK 100 100 - 100 - 3.0=100 Peak 2340 from cnoeabs.peaks (1.83, 1.83, 29.96 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 47 + HB3 GLN 47 OK 100 100 - 100 Peak 2343 from cnoeabs.peaks (6.91, 1.83, 29.96 ppm; 5.12 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 47 + HB3 GLN 47 OK 100 100 - 100 - 4.6=100 Peak 2345 from cnoeabs.peaks (8.05, 2.55, 35.63 ppm; 3.79 A): 1 out of 6 assignments used, quality = 0.94: * H GLN 47 + HG2 GLN 47 OK 94 100 - 94 - 706=50, 704/3.0=35...(12) H LEU 41 - HG2 GLN 47 OK 16 100 - 16 - 2353/1.8=4, 2329/3.0=3...(6) H LEU 37 - HG2 GLN 47 OK 12 92 - 13 - 2353/1.8=3, 2329/3.0=2...(5) H ARG 55 - HG2 GLN 47 lone 7 76 - 9 - ~4759=2, 2353/1.8=2...(5) H LYS 22 - HG2 GLN 47 lone 5 78 - 7 - 2353/1.8=2, 2329/3.0=1 H GLN 53 - HG2 GLN 47 lone 4 87 - 5 - 2.9/2346=1 Peak 2346 from cnoeabs.peaks (3.96, 2.55, 35.63 ppm; 3.81 A): 1 out of 9 assignments used, quality = 1.00: * HA GLN 47 + HG2 GLN 47 OK 100 100 - 100 - 3.8=100 HA ALA 35 - HG2 GLN 47 lone 7 76 - 9 - 4356/1.8=3, ~4360=2...(5) HA GLN 53 - HG2 GLN 47 lone 4 81 - 5 - 2354/1.8=1, 3823/5.1=1 HA LYS 42 - HG2 GLN 47 lone 3 78 - 3 - 4467/5.1=1 HB2 SER 24 - HG2 GLN 47 lone 2 97 - 2 - HB3 SER 24 - HG2 GLN 47 lone 2 95 - 2 - HB3 SER 12 - HG2 GLN 47 lone 1 97 - 1 - HB2 SER 66 - HG2 GLN 47 lone 1 90 - 1 - HB2 SER 65 - HG2 GLN 47 lone 1 63 - 1 - Peak 2347 from cnoeabs.peaks (2.58, 2.55, 35.63 ppm; 2.90 A): 1 out of 1 assignment used, quality = 0.96: * HB2 GLN 47 + HG2 GLN 47 OK 96 100 - 96 - 3.0=89, 3.0/2325=19...(12) Peak 2348 from cnoeabs.peaks (1.83, 2.55, 35.63 ppm; 3.75 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 47 + HG2 GLN 47 OK 100 100 - 100 - 3.0=100 Peak 2349 from cnoeabs.peaks (2.55, 2.55, 35.63 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 47 + HG2 GLN 47 OK 100 100 - 100 Peak 2350 from cnoeabs.peaks (2.40, 2.55, 35.63 ppm; 2.81 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 47 + HG2 GLN 47 OK 100 100 - 100 - 1.8=100 Peak 2351 from cnoeabs.peaks (6.91, 2.55, 35.63 ppm; 4.59 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 47 + HG2 GLN 47 OK 100 100 - 100 - 3.4=100 Peak 2352 from cnoeabs.peaks (7.67, 2.55, 35.63 ppm; 3.99 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 47 + HG2 GLN 47 OK 100 100 - 100 - 3.4=100 Peak 2353 from cnoeabs.peaks (8.05, 2.40, 35.63 ppm; 4.04 A): 1 out of 12 assignments used, quality = 0.96: * H GLN 47 + HG3 GLN 47 OK 96 100 - 96 - 5.1=49, 706/1.8=48...(15) H LEU 41 - HG3 GLN 47 OK 20 100 - 20 - 2345/1.8=5, 2329/3.0=4...(6) H LEU 37 - HG3 GLN 47 OK 16 92 - 18 - 2345/1.8=4, 4.5/4387=3...(6) H LEU 41 - HG3 GLU 18 poor 10 58 - 17 - 4.8/4449=12, 4.0/4555=3 H ARG 55 - HG3 GLN 47 poor 9 76 - 11 - 3.0/4759=3, 2345/1.8=2...(5) H LYS 22 - HG3 GLN 47 poor 8 78 - 10 - 2345/1.8=2, 2329/3.0=2 H LYS 22 - HG3 GLU 18 poor 8 40 - 19 - 961/3.9=8, 4.6/57=4...(5) H GLN 53 - HG3 GLN 47 lone 5 87 - 6 - 2345/1.8=1, 2.9/2354=1 H GLN 47 - HG3 GLU 18 lone 5 60 - 8 - 707=2 H LEU 37 - HG3 GLU 18 lone 4 50 - 7 - 4.5/4387=3, 2121/4449=2 H GLN 53 - HG3 GLU 18 lone 2 46 - 4 - 3697/3.9=1 H ARG 55 - HG3 GLU 18 lone 1 38 - 3 - Peak 2354 from cnoeabs.peaks (3.96, 2.40, 35.63 ppm; 3.72 A): 1 out of 18 assignments used, quality = 0.99: * HA GLN 47 + HG3 GLN 47 OK 99 100 - 99 - 3.8=92, 2325/1.8=41...(18) HA ALA 35 - HG3 GLN 47 poor 9 76 - 12 - 4356=3, 2346/1.8=2...(5) HA GLN 53 - HG3 GLN 47 lone 4 81 - 5 - 2346/1.8=1 HA ALA 35 - HG3 GLU 18 lone 3 38 - 8 - ~4361=3, 4356=2, 2.1/4360=2 HA GLN 47 - HG3 GLU 18 lone 3 60 - 5 - 2326=1, 3.0/707=1 HA LYS 42 - HG3 GLN 47 lone 3 78 - 4 - 4467/5.1=1 HB2 SER 24 - HG3 GLN 47 lone 2 97 - 2 - HB3 SER 24 - HG3 GLN 47 lone 2 95 - 2 - HB3 SER 12 - HG3 GLN 47 lone 1 97 - 1 - HA GLN 53 - HG3 GLU 18 lone 1 41 - 3 - 3829/4.9=2 HB3 SER 12 - HG3 GLU 18 lone 1 55 - 2 - 3.9/4737=1 HB2 SER 66 - HG3 GLN 47 lone 1 90 - 1 - HB2 SER 65 - HG3 GLN 47 lone 1 63 - 1 - HA LYS 42 - HG3 GLU 18 lone 1 40 - 1 - HB2 SER 24 - HG3 GLU 18 lone 0 54 - 1 - HB3 SER 24 - HG3 GLU 18 lone 0 52 - 1 - HB2 SER 66 - HG3 GLU 18 lone 0 48 - 1 - HB2 SER 65 - HG3 GLU 18 lone 0 30 - 1 - Peak 2355 from cnoeabs.peaks (2.58, 2.40, 35.63 ppm; 3.03 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 47 + HG3 GLN 47 OK 100 100 - 100 - 3.0=100 Peak 2356 from cnoeabs.peaks (1.83, 2.40, 35.63 ppm; 3.45 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 47 + HG3 GLN 47 OK 100 100 - 100 - 3.0=100 Peak 2357 from cnoeabs.peaks (2.55, 2.40, 35.63 ppm; 2.80 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 47 + HG3 GLN 47 OK 100 100 - 100 - 1.8=100 Peak 2358 from cnoeabs.peaks (2.40, 2.40, 35.63 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 GLN 47 + HG3 GLN 47 OK 100 100 - 100 HG3 GLU 18 + HG3 GLU 18 OK 59 59 - 100 Peak 2359 from cnoeabs.peaks (6.91, 2.40, 35.63 ppm; 4.35 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 47 + HG3 GLN 47 OK 100 100 - 100 - 3.4=100 Peak 2360 from cnoeabs.peaks (7.67, 2.40, 35.63 ppm; 3.73 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 47 + HG3 GLN 47 OK 100 100 - 100 - 3.4=100 Peak 2361 from cnoeabs.peaks (7.68, 3.63, 67.46 ppm; 3.96 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 48 + HA VAL 48 OK 100 100 - 100 - 3.0=100 Peak 2362 from cnoeabs.peaks (3.63, 3.63, 67.46 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 48 + HA VAL 48 OK 100 100 - 100 Peak 2363 from cnoeabs.peaks (2.16, 3.63, 67.46 ppm; 3.97 A): 1 out of 1 assignment used, quality = 1.00: * HB VAL 48 + HA VAL 48 OK 100 100 - 100 - 3.0=100 Peak 2364 from cnoeabs.peaks (1.00, 3.63, 67.46 ppm; 3.26 A): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 48 + HA VAL 48 OK 100 100 - 100 - 3.2=100 Peak 2365 from cnoeabs.peaks (0.95, 3.63, 67.46 ppm; 3.15 A): 1 out of 2 assignments used, quality = 0.98: * QG2 VAL 48 + HA VAL 48 OK 98 100 - 98 - 3.2=96, 714/3.0=20...(13) QD1 LEU 37 - HA VAL 48 OK 24 97 - 25 - 714/3.0=6, 4378/4579=5...(7) Peak 2366 from cnoeabs.peaks (7.68, 2.16, 32.06 ppm; 3.54 A): 1 out of 4 assignments used, quality = 0.96: * H VAL 48 + HB VAL 48 OK 96 100 - 96 - 3.8=83, 714/2.1=30...(11) H LYS 39 - HB VAL 48 OK 24 98 - 25 - 2376/2.1=9, 3.6/4409=8...(6) HE22 GLN 47 - HB VAL 48 OK 10 90 - 12 - 6.9/4541=4, 2376/2.1=3 H LYS 58 - HB VAL 48 lone 4 100 - 4 - 2376/2.1=1 Peak 2367 from cnoeabs.peaks (3.63, 2.16, 32.06 ppm; 3.54 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 48 + HB VAL 48 OK 100 100 - 100 - 3.0=100 Peak 2368 from cnoeabs.peaks (2.16, 2.16, 32.06 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB VAL 48 + HB VAL 48 OK 100 100 - 100 Peak 2369 from cnoeabs.peaks (1.00, 2.16, 32.06 ppm; 3.18 A): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 48 + HB VAL 48 OK 100 100 - 100 - 2.1=100 Peak 2370 from cnoeabs.peaks (0.95, 2.16, 32.06 ppm; 3.20 A): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 48 + HB VAL 48 OK 100 100 - 100 - 2.1=100 Peak 2371 from cnoeabs.peaks (7.68, 1.00, 23.57 ppm; 4.12 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 48 + QG1 VAL 48 OK 100 100 - 100 - 4.0=100 Peak 2372 from cnoeabs.peaks (3.63, 1.00, 23.57 ppm; 3.18 A): 1 out of 8 assignments used, quality = 1.00: * HA VAL 48 + QG1 VAL 48 OK 100 100 - 100 - 3.2=99, 2365/2.1=26...(12) HA GLU 45 - QG1 VAL 48 OK 44 95 - 46 - 3773/2.1=17, 4512/2.1=16...(8) HA ALA 38 - QG1 VAL 48 OK 30 90 - 34 - 4403/2.1=8, ~4405=6...(7) HA LEU 19 - QG1 VAL 48 OK 24 97 - 25 - 4.0/4825=8, 4106/2.1=6...(6) HA LEU 19 - QG2 VAL 16 OK 23 46 - 50 - 4.0/4825=9, ~3681=6...(18) HA VAL 48 - QG2 VAL 16 lone 4 51 - 7 - 4579/4825=3, 4580/4118=1 HA GLU 45 - QG2 VAL 16 lone 1 44 - 2 - HA ALA 38 - QG2 VAL 16 lone 1 41 - 2 - Peak 2373 from cnoeabs.peaks (2.16, 1.00, 23.57 ppm; 3.12 A): 1 out of 1 assignment used, quality = 1.00: * HB VAL 48 + QG1 VAL 48 OK 100 100 - 100 - 2.1=100 Peak 2374 from cnoeabs.peaks (1.00, 1.00, 23.57 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * QG1 VAL 48 + QG1 VAL 48 OK 100 100 - 100 QG2 VAL 16 - QG2 VAL 16 OK 41 41 - 100 Peak 2375 from cnoeabs.peaks (0.95, 1.00, 23.57 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 48 + QG1 VAL 48 OK 100 100 - 100 - 2.1=100 Peak 2376 from cnoeabs.peaks (7.68, 0.95, 23.79 ppm; 3.33 A): 3 out of 4 assignments used, quality = 0.95: * H VAL 48 + QG2 VAL 48 OK 90 100 - 90 - 4.0=59, 712/2.1=29...(12) H LYS 39 + QG2 VAL 48 OK 38 98 - 39 - 3.6/4405=8, 3.6/4403=7...(9) HE22 GLN 47 + QG2 VAL 48 OK 14 90 - 16 - 4.6/4552=6, 6.9/4539=3...(4) H LYS 58 - QG2 VAL 48 lone 5 100 - 5 - Peak 2377 from cnoeabs.peaks (3.63, 0.95, 23.79 ppm; 2.87 A): 3 out of 4 assignments used, quality = 0.95: * HA VAL 48 + QG2 VAL 48 OK 88 100 - 88 - 3.2=72, 3.0/714=16...(13) HA GLU 45 + QG2 VAL 48 OK 40 95 - 42 - 3773/2.1=13, 4512=13...(8) HA ALA 38 + QG2 VAL 48 OK 39 90 - 44 - 2.1/4405=10, 4403=9...(13) HA LEU 19 - QG2 VAL 48 OK 21 97 - 22 - 4.0/4117=4, 3.7/4577=4...(7) Peak 2378 from cnoeabs.peaks (2.16, 0.95, 23.79 ppm; 3.17 A): 1 out of 1 assignment used, quality = 1.00: * HB VAL 48 + QG2 VAL 48 OK 100 100 - 100 - 2.1=100 Peak 2379 from cnoeabs.peaks (1.00, 0.95, 23.79 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 48 + QG2 VAL 48 OK 100 100 - 100 - 2.1=100 Peak 2380 from cnoeabs.peaks (0.95, 0.95, 23.79 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 48 + QG2 VAL 48 OK 100 100 - 100 Peak 2381 from cnoeabs.peaks (8.54, 4.33, 59.98 ppm; 3.66 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 49 + HA LYS 49 OK 100 100 - 100 - 3.0=100 Peak 2382 from cnoeabs.peaks (4.33, 4.33, 59.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 49 + HA LYS 49 OK 100 100 - 100 Peak 2383 from cnoeabs.peaks (2.13, 4.33, 59.98 ppm; 3.86 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 49 + HA LYS 49 OK 100 100 - 100 - 3.0=100 Peak 2384 from cnoeabs.peaks (1.88, 4.33, 59.98 ppm; 3.42 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 49 + HA LYS 49 OK 100 100 - 100 - 3.0=100 Peak 2385 from cnoeabs.peaks (1.57, 4.33, 59.98 ppm; 3.56 A): 2 out of 8 assignments used, quality = 0.97: * HG2 LYS 49 + HA LYS 49 OK 94 100 - 94 - 3.9=74, 1.8/2386=26...(23) HG3 ARG 34 + HA LYS 49 OK 56 92 - 61 - 3.0/4342=14, 3.0/4340=14...(14) HG LEU 37 - HA LYS 49 OK 13 97 - 13 - ~231=3, 2.1/4583=3, 719/3.0=2 HB3 LYS 27 - HA LYS 49 OK 11 97 - 12 - 1.8/2386=3, 719/3.0=2...(6) HG3 LYS 39 - HA LYS 49 OK 11 68 - 16 - 4.9/1000=2, 3.0/2388=2...(7) QB ALA 31 - HA LYS 49 lone 3 95 - 3 - HG3 ARG 61 - HA LYS 49 lone 1 73 - 2 - HG2 ARG 61 - HA LYS 49 lone 1 71 - 2 - Peak 2386 from cnoeabs.peaks (1.40, 4.33, 59.98 ppm; 3.89 A): 1 out of 6 assignments used, quality = 1.00: * HG3 LYS 49 + HA LYS 49 OK 100 100 - 100 - 3.9=97, 1.8/2385=20...(23) HB2 LYS 27 - HA LYS 49 OK 11 83 - 13 - 1.8/2385=3, 720/3.0=2...(7) HB3 LEU 41 - HA LYS 49 lone 4 60 - 6 - 720/3.0=2, ~718=1 HG13 ILE 17 - HA LYS 49 lone 3 78 - 3 - 237/3.6=2 HG2 LYS 60 - HA LYS 49 lone 1 63 - 2 - HG3 LYS 60 - HA LYS 49 lone 1 60 - 2 - Peak 2387 from cnoeabs.peaks (1.70, 4.33, 59.98 ppm; 4.38 A): 3 out of 12 assignments used, quality = 1.00: * HD2 LYS 49 + HA LYS 49 OK 96 100 - 96 - 5.3=57, 3.0/2386=30...(24) HD3 LYS 49 + HA LYS 49 OK 96 100 - 96 - 5.3=57, 3.0/2386=30...(24) HG13 ILE 50 + HA LYS 49 OK 56 97 - 59 - 2499/3.6=14, ~4609=13...(10) HD3 LYS 39 - HA LYS 49 OK 26 98 - 27 - 3.0/2385=2, 2408/3.0=2...(17) HD2 LYS 39 - HA LYS 49 OK 26 98 - 27 - 3.0/2385=2, 2408/3.0=2...(17) HG2 LYS 22 - HA LYS 49 OK 16 97 - 17 - 722/3.0=2, 239/3.6=2...(6) HG3 LYS 22 - HA LYS 49 OK 12 71 - 17 - 3.0/1465=2, 730/3.6=2...(7) HB3 LEU 37 - HA LYS 49 OK 11 60 - 19 - ~231=4, 3.1/4583=4...(8) HD2 LYS 42 - HA LYS 49 lone 6 89 - 7 - 722/3.0=1 HB2 ARG 56 - HA LYS 49 lone 2 87 - 3 - HB3 ARG 61 - HA LYS 49 lone 2 73 - 3 - HB3 LYS 58 - HA LYS 49 lone 1 63 - 2 - Peak 2388 from cnoeabs.peaks (1.70, 4.33, 59.98 ppm; 4.38 A): 3 out of 11 assignments used, quality = 1.00: * HD3 LYS 49 + HA LYS 49 OK 96 100 - 96 - 5.3=57, 3.0/2386=30...(24) HD2 LYS 49 + HA LYS 49 OK 96 100 - 96 - 5.3=57, 3.0/2386=30...(24) HG13 ILE 50 + HA LYS 49 OK 57 97 - 59 - 2499/3.6=14, ~4609=13...(10) HD3 LYS 39 - HA LYS 49 OK 27 99 - 27 - 3.0/2385=2, 2408/3.0=2...(17) HD2 LYS 39 - HA LYS 49 OK 27 99 - 27 - 3.0/2385=2, 2408/3.0=2...(17) HG2 LYS 22 - HA LYS 49 OK 16 96 - 17 - 722/3.0=2, 239/3.6=2...(6) HG3 LYS 22 - HA LYS 49 OK 12 73 - 17 - 3.0/1465=2, 730/3.6=2...(7) HD2 LYS 42 - HA LYS 49 lone 6 87 - 7 - 722/3.0=1 HB2 ARG 56 - HA LYS 49 lone 2 85 - 3 - HB3 ARG 61 - HA LYS 49 lone 2 71 - 3 - HB3 LYS 58 - HA LYS 49 lone 1 60 - 2 - Peak 2391 from cnoeabs.peaks (8.54, 2.13, 33.10 ppm; 3.52 A): 1 out of 1 assignment used, quality = 0.91: * H LYS 49 + HB2 LYS 49 OK 91 100 - 91 - 4.0=68, 2401/1.8=38...(13) Peak 2392 from cnoeabs.peaks (4.33, 2.13, 33.10 ppm; 3.94 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 49 + HB2 LYS 49 OK 100 100 - 100 - 3.0=100 Peak 2393 from cnoeabs.peaks (2.13, 2.13, 33.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 49 + HB2 LYS 49 OK 100 100 - 100 Peak 2394 from cnoeabs.peaks (1.88, 2.13, 33.10 ppm; 2.82 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 49 + HB2 LYS 49 OK 100 100 - 100 - 1.8=100 Peak 2395 from cnoeabs.peaks (1.57, 2.13, 33.10 ppm; 3.83 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 49 + HB2 LYS 49 OK 100 100 - 100 - 3.0=100 Peak 2396 from cnoeabs.peaks (1.40, 2.13, 33.10 ppm; 3.75 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 49 + HB2 LYS 49 OK 100 100 - 100 - 3.0=100 Peak 2397 from cnoeabs.peaks (1.70, 2.13, 33.10 ppm; 3.64 A): 3 out of 12 assignments used, quality = 1.00: * HD2 LYS 49 + HB2 LYS 49 OK 100 100 - 100 - 3.7=98, 2435/3.0=13...(32) HD3 LYS 49 + HB2 LYS 49 OK 100 100 - 100 - 3.7=98, 2435/3.0=13...(32) HG13 ILE 50 + HB2 LYS 49 OK 60 97 - 63 - 3.0/4609=16, 4.9/3534=15...(12) HD3 LYS 39 - HB2 LYS 49 OK 17 98 - 17 - 2408/1.8=2, 2388/3.0=2...(8) HD2 LYS 39 - HB2 LYS 49 OK 17 98 - 17 - 2408/1.8=2, 2388/3.0=2...(8) HG2 LYS 22 - HB2 LYS 49 OK 11 97 - 11 - 2408/1.8=1, 722/4.0=1...(4) HG3 LYS 22 - HB2 LYS 49 poor 8 71 - 11 - HB3 LEU 37 - HB2 LYS 49 lone 5 60 - 8 - ~4583=1, ~4790=1 HD2 LYS 42 - HB2 LYS 49 lone 4 89 - 5 - HB2 ARG 56 - HB2 LYS 49 lone 1 87 - 2 - HB3 ARG 61 - HB2 LYS 49 lone 1 73 - 2 - HB3 LYS 58 - HB2 LYS 49 lone 1 63 - 1 - Peak 2398 from cnoeabs.peaks (1.70, 2.13, 33.10 ppm; 3.64 A): 3 out of 11 assignments used, quality = 1.00: * HD3 LYS 49 + HB2 LYS 49 OK 100 100 - 100 - 3.7=98, 2435/3.0=13...(32) HD2 LYS 49 + HB2 LYS 49 OK 100 100 - 100 - 3.7=98, 2435/3.0=13...(32) HG13 ILE 50 + HB2 LYS 49 OK 61 97 - 63 - 3.0/4609=16, 4.9/3534=15...(12) HD3 LYS 39 - HB2 LYS 49 OK 17 99 - 17 - 2408/1.8=2, 2388/3.0=2...(8) HD2 LYS 39 - HB2 LYS 49 OK 17 99 - 17 - 2408/1.8=2, 2388/3.0=2...(8) HG2 LYS 22 - HB2 LYS 49 OK 11 96 - 11 - 2408/1.8=1, 722/4.0=1...(4) HG3 LYS 22 - HB2 LYS 49 poor 8 73 - 11 - HD2 LYS 42 - HB2 LYS 49 lone 4 87 - 5 - HB2 ARG 56 - HB2 LYS 49 lone 1 85 - 2 - HB3 ARG 61 - HB2 LYS 49 lone 1 71 - 2 - HB3 LYS 58 - HB2 LYS 49 lone 1 60 - 1 - Peak 2399 from cnoeabs.peaks (2.98, 2.13, 33.10 ppm; 4.79 A): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 49 + HB2 LYS 49 OK 100 100 - 100 - 4.8=100 * HE2 LYS 49 + HB2 LYS 49 OK 100 100 - 100 - 4.8=100 Peak 2400 from cnoeabs.peaks (2.98, 2.13, 33.10 ppm; 4.79 A): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 49 + HB2 LYS 49 OK 100 100 - 100 - 4.8=100 HE2 LYS 49 + HB2 LYS 49 OK 100 100 - 100 - 4.8=100 Peak 2401 from cnoeabs.peaks (8.54, 1.88, 33.10 ppm; 3.40 A): 1 out of 1 assignment used, quality = 0.89: * H LYS 49 + HB3 LYS 49 OK 89 100 - 89 - 4.0=61, 2391/1.8=34...(15) Peak 2402 from cnoeabs.peaks (4.33, 1.88, 33.10 ppm; 3.55 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 49 + HB3 LYS 49 OK 100 100 - 100 - 3.0=100 Peak 2403 from cnoeabs.peaks (2.13, 1.88, 33.10 ppm; 2.76 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 49 + HB3 LYS 49 OK 100 100 - 100 - 1.8=100 Peak 2404 from cnoeabs.peaks (1.88, 1.88, 33.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 49 + HB3 LYS 49 OK 100 100 - 100 Peak 2405 from cnoeabs.peaks (1.57, 1.88, 33.10 ppm; 3.53 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 49 + HB3 LYS 49 OK 100 100 - 100 - 3.0=100 Peak 2406 from cnoeabs.peaks (1.40, 1.88, 33.10 ppm; 3.71 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 49 + HB3 LYS 49 OK 100 100 - 100 - 3.0=100 Peak 2407 from cnoeabs.peaks (1.70, 1.88, 33.10 ppm; 3.58 A): 3 out of 12 assignments used, quality = 1.00: * HD2 LYS 49 + HB3 LYS 49 OK 99 100 - 99 - 3.7=93, 2435/3.0=13...(29) HD3 LYS 49 + HB3 LYS 49 OK 99 100 - 99 - 3.7=93, 2435/3.0=13...(30) HG13 ILE 50 + HB3 LYS 49 OK 51 97 - 53 - 4.9/3535=14, ~4609=11...(10) HD3 LYS 39 - HB3 LYS 49 OK 17 98 - 17 - 2398/1.8=2, 2388/3.0=2...(8) HD2 LYS 39 - HB3 LYS 49 OK 17 98 - 17 - 2398/1.8=2, 2388/3.0=2...(8) HG2 LYS 22 - HB3 LYS 49 OK 11 97 - 11 - 2398/1.8=1 HG3 LYS 22 - HB3 LYS 49 poor 8 71 - 11 - HB3 LEU 37 - HB3 LYS 49 lone 5 60 - 9 - 3.1/4790=1, ~4583=1 HD2 LYS 42 - HB3 LYS 49 lone 5 89 - 5 - HB2 ARG 56 - HB3 LYS 49 lone 1 87 - 2 - HB3 ARG 61 - HB3 LYS 49 lone 1 73 - 2 - HB3 LYS 58 - HB3 LYS 49 lone 1 63 - 1 - Peak 2408 from cnoeabs.peaks (1.70, 1.88, 33.10 ppm; 3.58 A): 3 out of 11 assignments used, quality = 1.00: * HD3 LYS 49 + HB3 LYS 49 OK 99 100 - 99 - 3.7=93, 2435/3.0=13...(30) HD2 LYS 49 + HB3 LYS 49 OK 99 100 - 99 - 3.7=93, 2435/3.0=13...(30) HG13 ILE 50 + HB3 LYS 49 OK 52 97 - 53 - 4.9/3535=14, ~4609=11...(10) HD3 LYS 39 - HB3 LYS 49 OK 17 99 - 17 - 2398/1.8=2, 2388/3.0=2...(8) HD2 LYS 39 - HB3 LYS 49 OK 17 99 - 17 - 2398/1.8=2, 2388/3.0=2...(8) HG2 LYS 22 - HB3 LYS 49 OK 11 96 - 11 - 2398/1.8=1 HG3 LYS 22 - HB3 LYS 49 poor 8 73 - 11 - HD2 LYS 42 - HB3 LYS 49 lone 5 87 - 5 - HB2 ARG 56 - HB3 LYS 49 lone 1 85 - 2 - HB3 ARG 61 - HB3 LYS 49 lone 1 71 - 2 - HB3 LYS 58 - HB3 LYS 49 lone 1 60 - 1 - Peak 2409 from cnoeabs.peaks (2.98, 1.88, 33.10 ppm; 4.84 A): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 49 + HB3 LYS 49 OK 100 100 - 100 - 4.8=100 * HE2 LYS 49 + HB3 LYS 49 OK 100 100 - 100 - 4.8=100 Peak 2410 from cnoeabs.peaks (2.98, 1.88, 33.10 ppm; 4.84 A): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 49 + HB3 LYS 49 OK 100 100 - 100 - 4.8=100 HE2 LYS 49 + HB3 LYS 49 OK 100 100 - 100 - 4.8=100 Peak 2411 from cnoeabs.peaks (8.54, 1.57, 24.91 ppm; 5.26 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 49 + HG2 LYS 49 OK 100 100 - 100 - 4.9=100 Peak 2412 from cnoeabs.peaks (4.33, 1.57, 24.91 ppm; 3.98 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 49 + HG2 LYS 49 OK 100 100 - 100 - 3.9=100 Peak 2413 from cnoeabs.peaks (2.13, 1.57, 24.91 ppm; 4.06 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 49 + HG2 LYS 49 OK 100 100 - 100 - 3.0=100 Peak 2414 from cnoeabs.peaks (1.88, 1.57, 24.91 ppm; 3.81 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 49 + HG2 LYS 49 OK 100 100 - 100 - 3.0=100 Peak 2415 from cnoeabs.peaks (1.57, 1.57, 24.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 49 + HG2 LYS 49 OK 100 100 - 100 Peak 2416 from cnoeabs.peaks (1.40, 1.57, 24.91 ppm; 2.88 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 49 + HG2 LYS 49 OK 100 100 - 100 - 1.8=100 Peak 2417 from cnoeabs.peaks (1.70, 1.57, 24.91 ppm; 2.93 A): 2 out of 12 assignments used, quality = 1.00: * HD2 LYS 49 + HG2 LYS 49 OK 98 100 - 99 - 3.0=96, 1.8/2435=13...(23) HD3 LYS 49 + HG2 LYS 49 OK 98 100 - 99 - 3.0=96, 1.8/2435=13...(23) HG13 ILE 50 - HG2 LYS 49 OK 28 97 - 29 - ~4609=5, ~4608=4...(10) HD3 LYS 39 - HG2 LYS 49 lone 9 98 - 9 - 2408/3.0=1 HD2 LYS 39 - HG2 LYS 49 lone 9 98 - 9 - 2408/3.0=1 HG2 LYS 22 - HG2 LYS 49 lone 5 97 - 5 - HG3 LYS 22 - HG2 LYS 49 lone 4 71 - 5 - HB3 LEU 37 - HG2 LYS 49 lone 3 60 - 5 - HD2 LYS 42 - HG2 LYS 49 lone 2 89 - 3 - HB2 ARG 56 - HG2 LYS 49 lone 1 87 - 1 - HB3 ARG 61 - HG2 LYS 49 lone 1 73 - 1 - HB3 LYS 58 - HG2 LYS 49 lone 0 63 - 1 - Peak 2418 from cnoeabs.peaks (1.70, 1.57, 24.91 ppm; 2.93 A): 2 out of 11 assignments used, quality = 1.00: * HD3 LYS 49 + HG2 LYS 49 OK 98 100 - 99 - 3.0=96, 1.8/2435=13...(23) HD2 LYS 49 + HG2 LYS 49 OK 98 100 - 99 - 3.0=96, 1.8/2435=13...(23) HG13 ILE 50 - HG2 LYS 49 OK 28 97 - 29 - ~4609=5, ~4608=4...(10) HD3 LYS 39 - HG2 LYS 49 lone 9 99 - 9 - 2408/3.0=1 HD2 LYS 39 - HG2 LYS 49 lone 9 99 - 9 - 2408/3.0=1 HG2 LYS 22 - HG2 LYS 49 lone 5 96 - 5 - HG3 LYS 22 - HG2 LYS 49 lone 4 73 - 5 - HD2 LYS 42 - HG2 LYS 49 lone 2 87 - 3 - HB2 ARG 56 - HG2 LYS 49 lone 1 85 - 1 - HB3 ARG 61 - HG2 LYS 49 lone 1 71 - 1 - HB3 LYS 58 - HG2 LYS 49 lone 0 60 - 1 - Peak 2419 from cnoeabs.peaks (2.98, 1.57, 24.91 ppm; 4.12 A): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 49 + HG2 LYS 49 OK 100 100 - 100 - 3.6=100 * HE2 LYS 49 + HG2 LYS 49 OK 100 100 - 100 - 3.6=100 Peak 2420 from cnoeabs.peaks (2.98, 1.57, 24.91 ppm; 4.12 A): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 49 + HG2 LYS 49 OK 100 100 - 100 - 3.6=100 HE2 LYS 49 + HG2 LYS 49 OK 100 100 - 100 - 3.6=100 Peak 2421 from cnoeabs.peaks (8.54, 1.40, 24.91 ppm; 4.96 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 49 + HG3 LYS 49 OK 100 100 - 100 - 4.9=100 Peak 2422 from cnoeabs.peaks (4.33, 1.40, 24.91 ppm; 4.14 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 49 + HG3 LYS 49 OK 100 100 - 100 - 3.9=100 Peak 2423 from cnoeabs.peaks (2.13, 1.40, 24.91 ppm; 3.70 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 49 + HG3 LYS 49 OK 100 100 - 100 - 3.0=100 Peak 2424 from cnoeabs.peaks (1.88, 1.40, 24.91 ppm; 3.59 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 49 + HG3 LYS 49 OK 100 100 - 100 - 3.0=100 Peak 2425 from cnoeabs.peaks (1.57, 1.40, 24.91 ppm; 2.69 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 49 + HG3 LYS 49 OK 100 100 - 100 - 1.8=100 Peak 2426 from cnoeabs.peaks (1.40, 1.40, 24.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 49 + HG3 LYS 49 OK 100 100 - 100 Peak 2427 from cnoeabs.peaks (1.70, 1.40, 24.91 ppm; 3.22 A): 2 out of 2 assignments used, quality = 1.00: * HD2 LYS 49 + HG3 LYS 49 OK 100 100 - 100 - 3.0=100 HD3 LYS 49 + HG3 LYS 49 OK 100 100 - 100 - 3.0=100 Peak 2428 from cnoeabs.peaks (1.70, 1.40, 24.91 ppm; 3.22 A): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 49 + HG3 LYS 49 OK 100 100 - 100 - 3.0=100 HD2 LYS 49 + HG3 LYS 49 OK 100 100 - 100 - 3.0=100 Peak 2429 from cnoeabs.peaks (2.98, 1.40, 24.91 ppm; 3.86 A): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 49 + HG3 LYS 49 OK 100 100 - 100 - 3.6=100 * HE2 LYS 49 + HG3 LYS 49 OK 100 100 - 100 - 3.6=100 Peak 2430 from cnoeabs.peaks (2.98, 1.40, 24.91 ppm; 3.86 A): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 49 + HG3 LYS 49 OK 100 100 - 100 - 3.6=100 HE2 LYS 49 + HG3 LYS 49 OK 100 100 - 100 - 3.6=100 Peak 2432 from cnoeabs.peaks (4.33, 1.70, 29.39 ppm; 4.54 A): 2 out of 28 assignments used, quality = 1.00: * HA LYS 49 + HD2 LYS 49 OK 97 100 - 97 - 5.3=64, 2386/3.0=31...(24) HA LYS 49 + HD3 LYS 49 OK 97 100 - 97 - 5.3=64, 2386/3.0=31...(24) HA LYS 49 - HG13 ILE 50 OK 43 71 - 61 - ~4609=14, ~4605=12...(10) HA HIS 36 - HD2 LYS 49 OK 16 97 - 17 - 4367/1.8=2, 4368/3.0=2...(9) HA HIS 36 - HD3 LYS 49 OK 16 96 - 16 - 4368/3.0=2, 4367/1.8=2...(7) HA ASN 54 - HG13 ILE 50 OK 13 39 - 34 - ~4657=8, ~4659=8...(8) HA LYS 22 - HG13 ILE 50 OK 12 46 - 27 - 4149/3.2=6, ~4150=4...(8) HA LEU 41 - HD2 LYS 42 poor 5 35 - 15 - 3.6/677=10, ~4461=2 HA LEU 41 - HD2 LYS 49 lone 4 96 - 4 - HA LEU 41 - HD3 LYS 49 lone 4 96 - 4 - HA HIS 36 - HG13 ILE 50 lone 4 65 - 6 - HA LYS 49 - HD2 LYS 42 lone 3 40 - 8 - 3.0/722=1 HA LYS 22 - HD2 LYS 49 lone 3 76 - 4 - HA LYS 22 - HD3 LYS 49 lone 3 76 - 4 - HA HIS 36 - HD2 LYS 42 lone 3 36 - 8 - 3.6/641=2, 3.0/4366=2 HA LEU 41 - HG13 ILE 50 lone 2 63 - 4 - HA GLN 63 - HD2 LYS 49 lone 2 93 - 2 - HA GLN 63 - HD3 LYS 49 lone 2 93 - 2 - HA GLU 67 - HD2 LYS 49 lone 2 92 - 2 - HA GLU 67 - HD3 LYS 49 lone 2 92 - 2 - HA ASN 54 - HD2 LYS 49 lone 1 65 - 2 - HA ASN 54 - HD3 LYS 49 lone 1 65 - 2 - HA GLU 67 - HG13 ILE 50 lone 1 60 - 2 - HA GLN 63 - HG13 ILE 50 lone 1 61 - 2 - HA LYS 22 - HD2 LYS 42 lone 1 25 - 3 - 2.9/557=1 HA GLN 63 - HD2 LYS 42 lone 1 34 - 2 - HA GLU 67 - HD2 LYS 42 lone 0 33 - 1 - HA ASN 54 - HD2 LYS 42 lone 0 21 - 2 - Peak 2433 from cnoeabs.peaks (2.13, 1.70, 29.39 ppm; 3.66 A): 2 out of 16 assignments used, quality = 1.00: * HB2 LYS 49 + HD2 LYS 49 OK 100 100 - 100 - 3.7=99, 3.0/2435=13...(32) HB2 LYS 49 + HD3 LYS 49 OK 100 100 - 100 - 3.7=99, 3.0/2435=13...(32) HB2 LYS 49 - HG13 ILE 50 OK 45 71 - 64 - 4609/3.0=15, 3534/4.9=15...(13) HB3 LYS 42 - HD2 LYS 42 OK 21 22 - 94 - 3.8=86, 2198/1.8=11...(19) HB2 GLN 53 - HG13 ILE 50 OK 17 46 - 36 - 4605/2.1=6, 3804/4.0=6...(9) HB3 LYS 42 - HG13 ILE 50 poor 8 41 - 19 - 4608/1.8=3, 4605/2.1=3...(10) HB3 LYS 42 - HD3 LYS 49 lone 6 68 - 8 - HB3 LYS 42 - HD2 LYS 49 lone 6 68 - 8 - HB2 GLN 53 - HD2 LYS 49 lone 4 76 - 5 - HB2 GLN 53 - HD3 LYS 49 lone 4 76 - 5 - HG3 PRO 32 - HD2 LYS 49 lone 4 60 - 6 - ~4289=1, ~4297=1 HG3 PRO 32 - HD3 LYS 49 lone 4 60 - 6 - ~4289=1, ~4297=1 HB2 LYS 49 - HD2 LYS 42 lone 2 40 - 5 - HG3 PRO 32 - HG13 ILE 50 lone 2 35 - 4 - 4609/3.0=1 HB2 GLN 53 - HD2 LYS 42 lone 0 25 - 2 - HG3 PRO 32 - HD2 LYS 42 lone 0 19 - 1 - Peak 2434 from cnoeabs.peaks (1.88, 1.70, 29.39 ppm; 3.57 A): 2 out of 24 assignments used, quality = 1.00: * HB3 LYS 49 + HD2 LYS 49 OK 99 100 - 99 - 3.7=92, 3.0/2435=13...(30) HB3 LYS 49 + HD3 LYS 49 OK 99 100 - 99 - 3.7=92, 3.0/2435=13...(30) HB3 LYS 49 - HG13 ILE 50 OK 38 71 - 54 - 3535/4.9=14, ~4609=11...(10) HB2 LYS 42 - HD2 LYS 42 OK 35 37 - 93 - 3.8=80, ~2198=16...(19) HG2 ARG 21 - HG13 ILE 50 OK 11 48 - 22 - 4806/2.1=6, ~4808=5...(5) HB2 LYS 42 - HG13 ILE 50 OK 10 67 - 15 - ~4602=2, ~4608=2...(8) HB2 LYS 42 - HD3 LYS 49 lone 8 98 - 8 - HB2 LYS 42 - HD2 LYS 49 lone 8 98 - 8 - HB3 ARG 34 - HD3 LYS 49 lone 6 78 - 8 - 718/6.2=2 HB3 ARG 34 - HD2 LYS 49 lone 6 78 - 7 - 718/6.2=2 HG LEU 41 - HD2 LYS 49 lone 3 93 - 3 - HG LEU 41 - HD3 LYS 49 lone 3 93 - 3 - HB2 GLU 33 - HD2 LYS 49 lone 3 100 - 3 - HB2 GLU 33 - HD3 LYS 49 lone 3 100 - 3 - HB3 LYS 49 - HD2 LYS 42 lone 2 40 - 6 - HG LEU 41 - HD2 LYS 42 lone 2 34 - 7 - 185/6.1=3 HB3 ARG 34 - HG13 ILE 50 lone 2 48 - 3 - HB2 GLU 33 - HG13 ILE 50 lone 2 71 - 2 - HG LEU 41 - HG13 ILE 50 lone 1 61 - 2 - HG2 ARG 21 - HD2 LYS 49 lone 1 78 - 1 - HG2 ARG 21 - HD3 LYS 49 lone 1 78 - 1 - HB2 GLU 33 - HD2 LYS 42 lone 1 40 - 3 - HB3 ARG 34 - HD2 LYS 42 lone 1 26 - 3 - HG2 ARG 21 - HD2 LYS 42 lone 0 26 - 2 - Peak 2435 from cnoeabs.peaks (1.57, 1.70, 29.39 ppm; 2.72 A): 2 out of 32 assignments used, quality = 0.99: * HG2 LYS 49 + HD2 LYS 49 OK 89 100 - 89 - 3.0=77, 2418/1.8=11...(23) HG2 LYS 49 + HD3 LYS 49 OK 89 100 - 89 - 3.0=77, 2418/1.8=11...(23) HG2 LYS 49 - HG13 ILE 50 OK 18 71 - 25 - 2418=4, ~4609=4, ~4608=4...(9) HG3 ARG 34 - HD2 LYS 49 lone 5 92 - 6 - 2385/5.3=2, 719/6.2=1 HB3 LYS 27 - HD2 LYS 49 lone 5 97 - 5 - ~4586=4 HB3 LYS 27 - HD3 LYS 49 lone 5 96 - 5 - ~4586=4 HG3 ARG 34 - HD3 LYS 49 lone 5 92 - 6 - 2385/5.3=2, 719/6.2=1 HG3 LYS 39 - HD2 LYS 49 lone 4 68 - 6 - HG3 LYS 39 - HD3 LYS 49 lone 4 68 - 6 - HG LEU 37 - HD2 LYS 49 lone 2 97 - 3 - HG LEU 37 - HD3 LYS 49 lone 2 96 - 3 - HG LEU 37 - HG13 ILE 50 lone 1 65 - 2 - ~2509=1 QB ALA 31 - HD2 LYS 49 lone 1 95 - 1 - QB ALA 31 - HD3 LYS 49 lone 1 94 - 1 - HG2 LYS 49 - HD2 LYS 42 lone 1 40 - 2 - HG3 ARG 61 - HD2 LYS 49 lone 1 73 - 1 - HG3 LYS 39 - HG13 ILE 50 lone 1 41 - 2 - HG3 ARG 61 - HD3 LYS 49 lone 1 73 - 1 - HG3 ARG 34 - HG13 ILE 50 lone 1 60 - 1 - HG2 ARG 61 - HD2 LYS 49 lone 1 71 - 1 - HG2 ARG 61 - HD3 LYS 49 lone 1 71 - 1 - QB ALA 31 - HG13 ILE 50 lone 1 62 - 1 - HG LEU 37 - HD2 LYS 42 lone 0 36 - 1 - HG3 LYS 39 - HD2 LYS 42 lone 0 22 - 2 - HB3 LYS 27 - HG13 ILE 50 lone 0 65 - 0 - HG3 ARG 34 - HD2 LYS 42 lone 0 33 - 1 - HG3 ARG 61 - HG13 ILE 50 lone 0 44 - 1 - HG2 ARG 61 - HG13 ILE 50 lone 0 43 - 1 - HB3 LYS 27 - HD2 LYS 42 lone 0 36 - 1 - QB ALA 31 - HD2 LYS 42 lone 0 35 - 0 - HG3 ARG 61 - HD2 LYS 42 lone 0 24 - 1 - HG2 ARG 61 - HD2 LYS 42 lone 0 23 - 1 - Peak 2436 from cnoeabs.peaks (1.40, 1.70, 29.39 ppm; 3.42 A): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 49 + HD2 LYS 49 OK 100 100 - 100 - 3.0=100 HG3 LYS 49 + HD3 LYS 49 OK 100 100 - 100 - 3.0=100 Peak 2437 from cnoeabs.peaks (1.70, 1.70, 29.39 ppm; diagonal): 3 out of 4 assignments used, quality = 1.00: * HD2 LYS 49 + HD2 LYS 49 OK 100 100 - 100 HD3 LYS 49 + HD3 LYS 49 OK 100 100 - 100 HG13 ILE 50 + HG13 ILE 50 OK 65 65 - 100 HD2 LYS 42 - HD2 LYS 42 OK 31 31 - 100 Peak 2438 from cnoeabs.peaks (1.70, 1.70, 29.39 ppm; diagonal): 3 out of 4 assignments used, quality = 1.00: HD2 LYS 49 + HD2 LYS 49 OK 100 100 - 100 HD3 LYS 49 + HD3 LYS 49 OK 100 100 - 100 HG13 ILE 50 + HG13 ILE 50 OK 66 66 - 100 HD2 LYS 42 - HD2 LYS 42 OK 30 30 - 100 Reference assignment not found: HD3 LYS 49 - HD2 LYS 49 Peak 2439 from cnoeabs.peaks (2.98, 1.70, 29.39 ppm; 3.25 A): 4 out of 4 assignments used, quality = 1.00: HE3 LYS 49 + HD2 LYS 49 OK 100 100 - 100 - 3.0=100 * HE2 LYS 49 + HD2 LYS 49 OK 100 100 - 100 - 3.0=100 HE3 LYS 49 + HD3 LYS 49 OK 100 100 - 100 - 3.0=100 HE2 LYS 49 + HD3 LYS 49 OK 100 100 - 100 - 3.0=100 Peak 2440 from cnoeabs.peaks (2.98, 1.70, 29.39 ppm; 3.25 A): 4 out of 4 assignments used, quality = 1.00: * HE3 LYS 49 + HD2 LYS 49 OK 100 100 - 100 - 3.0=100 HE2 LYS 49 + HD2 LYS 49 OK 100 100 - 100 - 3.0=100 HE3 LYS 49 + HD3 LYS 49 OK 100 100 - 100 - 3.0=100 HE2 LYS 49 + HD3 LYS 49 OK 100 100 - 100 - 3.0=100 Peak 2442 from cnoeabs.peaks (4.33, 1.70, 29.39 ppm; 4.54 A): 2 out of 28 assignments used, quality = 1.00: * HA LYS 49 + HD3 LYS 49 OK 97 100 - 97 - 5.3=64, 2386/3.0=31...(24) HA LYS 49 + HD2 LYS 49 OK 97 100 - 97 - 5.3=64, 2386/3.0=31...(24) HA LYS 49 - HG13 ILE 50 OK 44 73 - 61 - ~4609=14, ~4605=12...(10) HA HIS 36 - HD2 LYS 49 OK 16 96 - 17 - 4367/1.8=2, 4368/3.0=2...(9) HA HIS 36 - HD3 LYS 49 OK 16 97 - 16 - 4368/3.0=2, 4367/1.8=2...(9) HA ASN 54 - HG13 ILE 50 OK 14 41 - 34 - ~4657=8, ~4659=8...(8) HA LYS 22 - HG13 ILE 50 OK 13 48 - 27 - 4149/3.2=6, ~4150=4...(8) HA LEU 41 - HD2 LYS 42 poor 5 33 - 14 - 3.6/677=10, ~4461=2 HA LEU 41 - HD2 LYS 49 lone 4 96 - 4 - HA LEU 41 - HD3 LYS 49 lone 4 96 - 4 - HA HIS 36 - HG13 ILE 50 lone 4 67 - 6 - HA LYS 22 - HD2 LYS 49 lone 3 76 - 4 - HA LYS 22 - HD3 LYS 49 lone 3 76 - 4 - HA LYS 49 - HD2 LYS 42 lone 3 38 - 8 - 3.0/722=1 HA HIS 36 - HD2 LYS 42 lone 3 34 - 8 - 3.6/641=2, 3.0/4366=2 HA LEU 41 - HG13 ILE 50 lone 2 66 - 4 - HA GLN 63 - HD3 LYS 49 lone 2 93 - 2 - HA GLN 63 - HD2 LYS 49 lone 2 93 - 2 - HA GLU 67 - HD2 LYS 49 lone 2 92 - 2 - HA GLU 67 - HD3 LYS 49 lone 2 92 - 2 - HA ASN 54 - HD2 LYS 49 lone 1 65 - 2 - HA ASN 54 - HD3 LYS 49 lone 1 65 - 2 - HA GLN 63 - HG13 ILE 50 lone 1 63 - 2 - HA GLU 67 - HG13 ILE 50 lone 1 62 - 2 - HA LYS 22 - HD2 LYS 42 lone 1 23 - 3 - 2.9/557=1 HA GLN 63 - HD2 LYS 42 lone 1 32 - 2 - HA GLU 67 - HD2 LYS 42 lone 0 31 - 1 - HA ASN 54 - HD2 LYS 42 lone 0 19 - 2 - Peak 2443 from cnoeabs.peaks (2.13, 1.70, 29.39 ppm; 3.66 A): 3 out of 16 assignments used, quality = 1.00: * HB2 LYS 49 + HD3 LYS 49 OK 100 100 - 100 - 3.7=99, 3.0/2435=13...(32) HB2 LYS 49 + HD2 LYS 49 OK 100 100 - 100 - 3.7=99, 3.0/2435=13...(32) HB2 LYS 49 + HG13 ILE 50 OK 47 73 - 64 - 4609/3.0=15, 3534/4.9=15...(13) HB3 LYS 42 - HD2 LYS 42 OK 19 20 - 94 - 3.8=86, 2198/1.8=11...(19) HB2 GLN 53 - HG13 ILE 50 OK 17 48 - 36 - 4605/2.1=6, 3804/4.0=6...(9) HB3 LYS 42 - HG13 ILE 50 poor 8 43 - 19 - 4608/1.8=3, 4605/2.1=3...(10) HB3 LYS 42 - HD3 LYS 49 lone 6 68 - 8 - HB3 LYS 42 - HD2 LYS 49 lone 6 68 - 8 - HB2 GLN 53 - HD3 LYS 49 lone 4 76 - 5 - HB2 GLN 53 - HD2 LYS 49 lone 4 76 - 5 - HG3 PRO 32 - HD3 LYS 49 lone 4 60 - 6 - ~4289=1, ~4297=1 HG3 PRO 32 - HD2 LYS 49 lone 4 60 - 6 - ~4289=1, ~4297=1 HB2 LYS 49 - HD2 LYS 42 lone 2 38 - 5 - HG3 PRO 32 - HG13 ILE 50 lone 2 37 - 4 - 4609/3.0=1 HB2 GLN 53 - HD2 LYS 42 lone 0 23 - 2 - HG3 PRO 32 - HD2 LYS 42 lone 0 17 - 1 - Peak 2444 from cnoeabs.peaks (1.88, 1.70, 29.39 ppm; 3.57 A): 2 out of 24 assignments used, quality = 1.00: * HB3 LYS 49 + HD3 LYS 49 OK 99 100 - 99 - 3.7=92, 3.0/2435=13...(30) HB3 LYS 49 + HD2 LYS 49 OK 99 100 - 99 - 3.7=92, 3.0/2435=13...(30) HB3 LYS 49 - HG13 ILE 50 OK 40 73 - 54 - 3535/4.9=14, ~4609=11...(10) HB2 LYS 42 - HD2 LYS 42 OK 32 35 - 93 - 3.8=80, ~2198=16...(19) HG2 ARG 21 - HG13 ILE 50 OK 11 50 - 22 - 4806/2.1=6, ~4808=5...(5) HB2 LYS 42 - HG13 ILE 50 OK 10 69 - 15 - ~4602=2, ~4608=2...(8) HB2 LYS 42 - HD3 LYS 49 lone 8 98 - 8 - HB2 LYS 42 - HD2 LYS 49 lone 8 98 - 8 - HB3 ARG 34 - HD3 LYS 49 lone 6 78 - 8 - 718/6.2=2 HB3 ARG 34 - HD2 LYS 49 lone 6 78 - 7 - 718/6.2=2 HG LEU 41 - HD2 LYS 49 lone 3 93 - 3 - HB2 GLU 33 - HD3 LYS 49 lone 3 100 - 3 - HB2 GLU 33 - HD2 LYS 49 lone 3 100 - 3 - HG LEU 41 - HD3 LYS 49 lone 3 93 - 3 - HB3 LYS 49 - HD2 LYS 42 lone 2 38 - 6 - HG LEU 41 - HD2 LYS 42 lone 2 32 - 7 - 185/6.1=3 HB3 ARG 34 - HG13 ILE 50 lone 2 50 - 3 - HB2 GLU 33 - HG13 ILE 50 lone 2 73 - 2 - HG LEU 41 - HG13 ILE 50 lone 1 63 - 2 - HG2 ARG 21 - HD3 LYS 49 lone 1 78 - 1 - HG2 ARG 21 - HD2 LYS 49 lone 1 78 - 1 - HB2 GLU 33 - HD2 LYS 42 lone 1 37 - 3 - HB3 ARG 34 - HD2 LYS 42 lone 1 24 - 3 - HG2 ARG 21 - HD2 LYS 42 lone 0 24 - 2 - Peak 2445 from cnoeabs.peaks (1.57, 1.70, 29.39 ppm; 2.72 A): 2 out of 32 assignments used, quality = 0.99: * HG2 LYS 49 + HD3 LYS 49 OK 89 100 - 89 - 3.0=77, 2418/1.8=11...(23) HG2 LYS 49 + HD2 LYS 49 OK 89 100 - 89 - 3.0=77, 2418/1.8=11...(23) HG2 LYS 49 - HG13 ILE 50 OK 18 73 - 25 - 2418=4, ~4609=4, ~4608=4...(9) HG3 ARG 34 - HD2 LYS 49 lone 5 92 - 6 - 2385/5.3=2, 719/6.2=1 HB3 LYS 27 - HD3 LYS 49 lone 5 97 - 5 - ~4586=4 HB3 LYS 27 - HD2 LYS 49 lone 5 96 - 5 - ~4586=4 HG3 ARG 34 - HD3 LYS 49 lone 5 92 - 6 - 2385/5.3=2, 719/6.2=1 HG3 LYS 39 - HD2 LYS 49 lone 4 68 - 6 - HG3 LYS 39 - HD3 LYS 49 lone 4 68 - 6 - HG LEU 37 - HD2 LYS 49 lone 2 96 - 3 - HG LEU 37 - HD3 LYS 49 lone 2 97 - 3 - HG LEU 37 - HG13 ILE 50 lone 1 67 - 2 - ~2509=1 QB ALA 31 - HD3 LYS 49 lone 1 95 - 1 - QB ALA 31 - HD2 LYS 49 lone 1 94 - 1 - HG2 LYS 49 - HD2 LYS 42 lone 1 38 - 2 - HG3 LYS 39 - HG13 ILE 50 lone 1 43 - 2 - HG3 ARG 34 - HG13 ILE 50 lone 1 62 - 1 - HG3 ARG 61 - HD2 LYS 49 lone 1 73 - 1 - HG3 ARG 61 - HD3 LYS 49 lone 1 73 - 1 - HG2 ARG 61 - HD2 LYS 49 lone 1 71 - 1 - HG2 ARG 61 - HD3 LYS 49 lone 1 71 - 1 - QB ALA 31 - HG13 ILE 50 lone 1 65 - 1 - HG LEU 37 - HD2 LYS 42 lone 0 34 - 1 - HG3 LYS 39 - HD2 LYS 42 lone 0 20 - 2 - HB3 LYS 27 - HG13 ILE 50 lone 0 67 - 0 - HG3 ARG 34 - HD2 LYS 42 lone 0 31 - 1 - HG3 ARG 61 - HG13 ILE 50 lone 0 46 - 1 - HG2 ARG 61 - HG13 ILE 50 lone 0 44 - 1 - HB3 LYS 27 - HD2 LYS 42 lone 0 34 - 0 - QB ALA 31 - HD2 LYS 42 lone 0 32 - 0 - HG3 ARG 61 - HD2 LYS 42 lone 0 22 - 1 - HG2 ARG 61 - HD2 LYS 42 lone 0 21 - 1 - Peak 2446 from cnoeabs.peaks (1.40, 1.70, 29.39 ppm; 3.42 A): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 49 + HD3 LYS 49 OK 100 100 - 100 - 3.0=100 HG3 LYS 49 + HD2 LYS 49 OK 100 100 - 100 - 3.0=100 Peak 2447 from cnoeabs.peaks (1.70, 1.70, 29.39 ppm; diagonal): 3 out of 4 assignments used, quality = 1.00: HD3 LYS 49 + HD3 LYS 49 OK 100 100 - 100 HD2 LYS 49 + HD2 LYS 49 OK 100 100 - 100 HG13 ILE 50 + HG13 ILE 50 OK 67 67 - 100 HD2 LYS 42 - HD2 LYS 42 OK 29 29 - 100 Reference assignment not found: HD2 LYS 49 - HD3 LYS 49 Peak 2448 from cnoeabs.peaks (1.70, 1.70, 29.39 ppm; diagonal): 3 out of 4 assignments used, quality = 1.00: * HD3 LYS 49 + HD3 LYS 49 OK 100 100 - 100 HD2 LYS 49 + HD2 LYS 49 OK 100 100 - 100 HG13 ILE 50 + HG13 ILE 50 OK 68 68 - 100 HD2 LYS 42 - HD2 LYS 42 OK 28 28 - 100 Peak 2449 from cnoeabs.peaks (2.98, 1.70, 29.39 ppm; 3.25 A): 4 out of 4 assignments used, quality = 1.00: HE3 LYS 49 + HD3 LYS 49 OK 100 100 - 100 - 3.0=100 * HE2 LYS 49 + HD3 LYS 49 OK 100 100 - 100 - 3.0=100 HE2 LYS 49 + HD2 LYS 49 OK 100 100 - 100 - 3.0=100 HE3 LYS 49 + HD2 LYS 49 OK 100 100 - 100 - 3.0=100 Peak 2450 from cnoeabs.peaks (2.98, 1.70, 29.39 ppm; 3.25 A): 4 out of 4 assignments used, quality = 1.00: * HE3 LYS 49 + HD3 LYS 49 OK 100 100 - 100 - 3.0=100 HE2 LYS 49 + HD3 LYS 49 OK 100 100 - 100 - 3.0=100 HE2 LYS 49 + HD2 LYS 49 OK 100 100 - 100 - 3.0=100 HE3 LYS 49 + HD2 LYS 49 OK 100 100 - 100 - 3.0=100 Peak 2452 from cnoeabs.peaks (4.33, 2.98, 42.17 ppm; 3.69 A): 3 out of 56 assignments used, quality = 0.94: * HA LYS 49 + HE2 LYS 49 OK 71 100 - 71 - 6.3=20, 2386/3.6=19...(18) HA LYS 49 + HE3 LYS 49 OK 71 100 - 71 - 6.3=20, 2386/3.6=19...(18) HA HIS 36 + HE2 LYS 39 OK 28 53 - 52 - 4368/3.6=12, 4788/3.6=9...(13) HA HIS 36 - HE3 LYS 39 OK 28 53 - 52 - 4368/3.6=12, 4788/3.6=9...(13) HA LYS 49 - HE3 LYS 39 poor 8 59 - 14 - 2388/3.0=2, 2388/3.0=2 HA LYS 49 - HE2 LYS 39 poor 8 59 - 14 - 2388/3.0=2, 2388/3.0=2 HA HIS 36 - HE2 LYS 49 lone 7 97 - 7 - 4368/3.6=1, 4367/3.0=1...(4) HA HIS 36 - HE3 LYS 49 lone 7 97 - 7 - 4368/3.6=1, 4367/3.0=1...(4) HA HIS 36 - HE2 LYS 62 lone 6 94 - 6 - HA HIS 36 - HE3 LYS 62 lone 5 91 - 6 - HA HIS 36 - HE2 LYS 60 lone 5 96 - 5 - HA HIS 36 - HE3 LYS 60 lone 5 95 - 5 - HA LEU 41 - HE2 LYS 39 lone 3 52 - 5 - 1000/7.4=1, 3753/4.9=1 HA LEU 41 - HE3 LYS 39 lone 3 52 - 5 - 1000/7.4=1, 3753/4.9=1 HA LYS 49 - HE2 LYS 60 lone 2 100 - 2 - HA LYS 49 - HE3 LYS 60 lone 2 99 - 2 - HA LEU 41 - HE2 LYS 49 lone 2 96 - 2 - HA LEU 41 - HE3 LYS 49 lone 2 96 - 2 - HA LYS 49 - HE2 LYS 62 lone 2 99 - 2 - HA LYS 49 - HE3 LYS 62 lone 2 96 - 2 - HA LYS 22 - HE3 LYS 49 lone 2 76 - 2 - HA LYS 22 - HE2 LYS 49 lone 2 76 - 2 - HA LEU 41 - HE2 LYS 60 lone 1 95 - 1 - HA LEU 41 - HE2 LYS 62 lone 1 93 - 1 - HA LEU 41 - HE3 LYS 60 lone 1 94 - 1 - HA LEU 41 - HE3 LYS 62 lone 1 89 - 1 - HA LYS 22 - HE2 LYS 62 lone 1 73 - 1 - HA GLN 63 - HE2 LYS 60 lone 1 92 - 1 - HA GLN 63 - HE3 LYS 60 lone 1 92 - 1 - HA GLN 63 - HE2 LYS 62 lone 1 91 - 1 - HA LYS 22 - HE3 LYS 62 lone 1 69 - 1 - HA LYS 22 - HE3 LYS 39 lone 1 38 - 3 - HA LYS 22 - HE2 LYS 39 lone 1 38 - 3 - HA GLN 63 - HE3 LYS 62 lone 1 87 - 1 - HA GLN 63 - HE3 LYS 49 lone 1 93 - 1 - HA GLN 63 - HE2 LYS 49 lone 1 93 - 1 - HA GLU 67 - HE2 LYS 49 lone 1 92 - 1 - HA GLU 67 - HE3 LYS 49 lone 1 92 - 1 - HA LYS 22 - HE2 LYS 60 lone 1 75 - 1 - HA LYS 22 - HE3 LYS 60 lone 1 74 - 1 - HA GLU 67 - HE2 LYS 60 lone 1 91 - 1 - HA GLU 67 - HE3 LYS 60 lone 1 90 - 1 - HA GLU 67 - HE2 LYS 62 lone 1 89 - 1 - HA ASN 54 - HE2 LYS 49 lone 1 65 - 1 - HA ASN 54 - HE3 LYS 49 lone 1 65 - 1 - HA GLU 67 - HE3 LYS 62 lone 1 85 - 1 - HA GLN 63 - HE3 LYS 39 lone 1 50 - 1 - HA GLN 63 - HE2 LYS 39 lone 1 50 - 1 - HA GLU 67 - HE3 LYS 39 lone 1 49 - 1 - HA GLU 67 - HE2 LYS 39 lone 1 49 - 1 - HA ASN 54 - HE2 LYS 60 lone 0 64 - 1 - HA ASN 54 - HE3 LYS 60 lone 0 64 - 1 - HA ASN 54 - HE2 LYS 62 lone 0 63 - 1 - HA ASN 54 - HE3 LYS 62 lone 0 59 - 1 - HA ASN 54 - HE2 LYS 39 lone 0 31 - 1 - HA ASN 54 - HE3 LYS 39 lone 0 31 - 1 - Peak 2454 from cnoeabs.peaks (1.88, 2.98, 42.17 ppm; 3.92 A): 2 out of 48 assignments used, quality = 0.99: * HB3 LYS 49 + HE2 LYS 49 OK 90 100 - 90 - 4.8=55, 2408/3.0=10...(30) HB3 LYS 49 + HE3 LYS 49 OK 90 100 - 90 - 4.8=55, 2408/3.0=10...(30) HB3 LYS 49 - HE2 LYS 39 poor 9 59 - 14 - 2408/3.0=2, 2408/3.0=2...(4) HB3 LYS 49 - HE3 LYS 39 poor 9 59 - 14 - 2408/3.0=2, 2408/3.0=2...(4) HB2 LYS 42 - HE2 LYS 49 lone 6 98 - 6 - HB2 LYS 42 - HE3 LYS 49 lone 6 98 - 6 - HB3 ARG 34 - HE3 LYS 49 lone 5 78 - 7 - 718/6.9=2 HB3 ARG 34 - HE2 LYS 49 lone 5 78 - 7 - 718/6.9=2 HG LEU 41 - HE2 LYS 49 lone 3 93 - 3 - HG LEU 41 - HE3 LYS 49 lone 3 93 - 3 - HB3 LYS 49 - HE2 LYS 60 lone 3 100 - 3 - HB3 LYS 49 - HE3 LYS 60 lone 3 99 - 3 - HB2 LYS 42 - HE2 LYS 62 lone 3 96 - 3 - HB2 LYS 42 - HE3 LYS 62 lone 3 93 - 3 - HB3 LYS 49 - HE2 LYS 62 lone 3 99 - 3 - HB3 LYS 49 - HE3 LYS 62 lone 3 96 - 3 - HB2 GLU 33 - HE2 LYS 39 lone 2 58 - 4 - HB2 GLU 33 - HE3 LYS 39 lone 2 58 - 4 - HB2 LYS 42 - HE2 LYS 60 lone 2 97 - 2 - HB2 LYS 42 - HE3 LYS 60 lone 2 97 - 2 - HB2 GLU 33 - HE3 LYS 49 lone 2 100 - 2 - HB2 GLU 33 - HE2 LYS 49 lone 2 100 - 2 - HB2 GLU 33 - HE2 LYS 62 lone 2 99 - 2 - HB2 GLU 33 - HE3 LYS 62 lone 2 96 - 2 - HG LEU 41 - HE2 LYS 60 lone 1 92 - 2 - HG2 ARG 21 - HE2 LYS 49 lone 1 78 - 2 - HG2 ARG 21 - HE3 LYS 49 lone 1 78 - 2 - HG LEU 41 - HE2 LYS 62 lone 1 91 - 2 - HG LEU 41 - HE3 LYS 60 lone 1 92 - 2 - HB2 LYS 42 - HE2 LYS 39 lone 1 55 - 3 - 1827/6.1=1 HB2 LYS 42 - HE3 LYS 39 lone 1 55 - 3 - 1827/6.1=1 HG LEU 41 - HE3 LYS 62 lone 1 87 - 2 - HG LEU 41 - HE2 LYS 39 lone 1 50 - 3 - HG LEU 41 - HE3 LYS 39 lone 1 50 - 3 - HB2 GLU 33 - HE2 LYS 60 lone 1 100 - 1 - HB2 GLU 33 - HE3 LYS 60 lone 1 99 - 1 - HB3 ARG 34 - HE2 LYS 60 lone 1 77 - 1 - HB3 ARG 34 - HE2 LYS 62 lone 1 75 - 1 - HB3 ARG 34 - HE3 LYS 60 lone 1 76 - 1 - HB3 ARG 34 - HE3 LYS 62 lone 1 71 - 1 - HG2 ARG 21 - HE2 LYS 62 lone 1 75 - 1 - HG2 ARG 21 - HE3 LYS 62 lone 1 71 - 1 - HG2 ARG 21 - HE2 LYS 60 lone 1 77 - 1 - HG2 ARG 21 - HE3 LYS 60 lone 1 76 - 1 - HG2 ARG 21 - HE3 LYS 39 lone 1 39 - 2 - HG2 ARG 21 - HE2 LYS 39 lone 1 39 - 2 - HB3 ARG 34 - HE3 LYS 39 lone 1 39 - 2 - HB3 ARG 34 - HE2 LYS 39 lone 1 39 - 2 - Peak 2455 from cnoeabs.peaks (1.57, 2.98, 42.17 ppm; 3.31 A): 2 out of 64 assignments used, quality = 0.99: * HG2 LYS 49 + HE2 LYS 49 OK 91 100 - 91 - 3.6=77, 2435/3.0=11...(27) HG2 LYS 49 + HE3 LYS 49 OK 91 100 - 91 - 3.6=77, 2435/3.0=11...(27) HG3 LYS 39 - HE2 LYS 39 OK 29 33 - 87 - 3.6=76, 2032/3.0=7...(27) HG3 LYS 39 - HE3 LYS 39 OK 29 33 - 87 - 3.6=76, 2032/3.0=7...(27) HG3 ARG 34 - HE2 LYS 49 lone 7 92 - 7 - 2385/6.3=2, 719/6.9=2 HG3 ARG 34 - HE3 LYS 49 lone 7 92 - 7 - 2385/6.3=2, 719/6.9=2 HG LEU 37 - HE2 LYS 49 lone 5 97 - 5 - 2.1/4383=1, ~4383=1 HG LEU 37 - HE3 LYS 49 lone 5 97 - 5 - 2.1/4383=1, ~4383=1 HG2 LYS 49 - HE2 LYS 39 lone 4 59 - 8 - 2418/3.0=1, 2418/3.0=1 HG2 LYS 49 - HE3 LYS 39 lone 4 59 - 8 - 2418/3.0=1, 2418/3.0=1 HG3 LYS 39 - HE3 LYS 49 lone 4 68 - 6 - HG3 LYS 39 - HE2 LYS 49 lone 4 68 - 6 - HB3 LYS 27 - HE2 LYS 49 lone 4 97 - 4 - HB3 LYS 27 - HE3 LYS 49 lone 4 97 - 4 - HG LEU 37 - HE3 LYS 39 lone 3 53 - 6 - 2.1/4383=2, ~4383=1, 1959/6.1=1 HG LEU 37 - HE2 LYS 39 lone 3 53 - 6 - 2.1/4383=2, ~4383=1, 1959/6.1=1 HG3 LYS 39 - HE2 LYS 62 lone 2 65 - 4 - HG3 LYS 39 - HE2 LYS 60 lone 2 67 - 4 - HG3 LYS 39 - HE3 LYS 60 lone 2 66 - 4 - HG3 LYS 39 - HE3 LYS 62 lone 2 62 - 4 - HG2 LYS 49 - HE2 LYS 60 lone 2 100 - 2 - HG2 LYS 49 - HE3 LYS 60 lone 2 99 - 2 - HG3 ARG 61 - HE2 LYS 62 lone 2 71 - 3 - 330/7.4=1 HG2 LYS 49 - HE2 LYS 62 lone 2 99 - 2 - HG2 ARG 61 - HE2 LYS 62 lone 2 68 - 3 - 330/7.4=1 HG3 ARG 61 - HE3 LYS 62 lone 2 67 - 3 - 330/7.4=1 HG2 LYS 49 - HE3 LYS 62 lone 2 96 - 2 - HG2 ARG 61 - HE3 LYS 62 lone 2 64 - 3 - 330/7.4=1 QB ALA 31 - HE3 LYS 49 lone 2 95 - 2 - QB ALA 31 - HE2 LYS 49 lone 2 95 - 2 - HG LEU 37 - HE2 LYS 62 lone 2 94 - 2 - HG LEU 37 - HE2 LYS 60 lone 2 96 - 2 - HG LEU 37 - HE3 LYS 60 lone 2 95 - 2 - HG LEU 37 - HE3 LYS 62 lone 2 91 - 2 - HG3 ARG 61 - HE2 LYS 49 lone 1 73 - 1 - HG3 ARG 61 - HE3 LYS 49 lone 1 73 - 1 - HG2 ARG 61 - HE3 LYS 49 lone 1 71 - 1 - HG2 ARG 61 - HE2 LYS 49 lone 1 71 - 1 - HB3 LYS 27 - HE2 LYS 60 lone 1 96 - 1 - HG3 ARG 34 - HE2 LYS 62 lone 1 89 - 1 - HB3 LYS 27 - HE3 LYS 60 lone 1 95 - 1 - HB3 LYS 27 - HE2 LYS 62 lone 1 94 - 1 - HG3 ARG 34 - HE2 LYS 60 lone 1 91 - 1 - HG3 ARG 34 - HE3 LYS 62 lone 1 85 - 1 - HG3 ARG 34 - HE3 LYS 60 lone 1 90 - 1 - HB3 LYS 27 - HE3 LYS 62 lone 1 91 - 1 - HB3 LYS 27 - HE2 LYS 39 lone 1 53 - 1 - HB3 LYS 27 - HE3 LYS 39 lone 1 53 - 1 - HG3 ARG 61 - HE2 LYS 60 lone 1 72 - 1 - HG3 ARG 61 - HE3 LYS 60 lone 1 71 - 1 - HG2 ARG 61 - HE2 LYS 60 lone 1 70 - 1 - HG2 ARG 61 - HE3 LYS 60 lone 1 69 - 1 - QB ALA 31 - HE2 LYS 60 lone 1 94 - 1 - QB ALA 31 - HE3 LYS 60 lone 1 93 - 1 - QB ALA 31 - HE2 LYS 62 lone 1 92 - 1 - HG3 ARG 34 - HE2 LYS 39 lone 1 49 - 1 - HG3 ARG 34 - HE3 LYS 39 lone 1 49 - 1 - QB ALA 31 - HE3 LYS 62 lone 0 88 - 1 - QB ALA 31 - HE2 LYS 39 lone 0 51 - 1 - QB ALA 31 - HE3 LYS 39 lone 0 51 - 1 - HG3 ARG 61 - HE2 LYS 39 lone 0 36 - 1 - HG3 ARG 61 - HE3 LYS 39 lone 0 36 - 1 - HG2 ARG 61 - HE2 LYS 39 lone 0 34 - 1 - HG2 ARG 61 - HE3 LYS 39 lone 0 34 - 1 - Peak 2456 from cnoeabs.peaks (1.40, 2.98, 42.17 ppm; 3.61 A): 6 out of 48 assignments used, quality = 1.00: * HG3 LYS 49 + HE2 LYS 49 OK 100 100 - 100 - 3.6=100 HG3 LYS 49 + HE3 LYS 49 OK 100 100 - 100 - 3.6=100 HG2 LYS 60 + HE2 LYS 60 OK 56 62 - 91 - 3.9=77, 3.0/2998=4...(39) HG2 LYS 60 + HE3 LYS 60 OK 56 61 - 91 - 3.9=77, 3.0/2998=4...(39) HG3 LYS 60 + HE2 LYS 60 OK 54 59 - 91 - 3.9=77, 3.0/2998=4...(39) HG3 LYS 60 + HE3 LYS 60 OK 53 58 - 91 - 3.9=77, 3.0/2998=4...(39) HG2 LYS 60 - HE2 LYS 62 poor 8 60 - 13 - HG3 LYS 60 - HE2 LYS 62 poor 7 57 - 13 - HG2 LYS 60 - HE3 LYS 62 poor 7 57 - 13 - HG3 LYS 60 - HE3 LYS 62 poor 7 54 - 13 - HG3 LYS 49 - HE3 LYS 39 lone 5 59 - 9 - HG3 LYS 49 - HE2 LYS 39 lone 5 59 - 9 - HB2 LYS 27 - HE2 LYS 49 lone 3 83 - 4 - HB2 LYS 27 - HE3 LYS 49 lone 3 83 - 4 - HG3 LYS 49 - HE2 LYS 60 lone 2 100 - 2 - HG3 LYS 49 - HE3 LYS 60 lone 2 99 - 2 - HG3 LYS 49 - HE2 LYS 62 lone 2 99 - 2 - HG3 LYS 49 - HE3 LYS 62 lone 2 96 - 2 - HB3 LEU 41 - HE3 LYS 49 lone 2 60 - 3 - HB3 LEU 41 - HE2 LYS 49 lone 2 60 - 3 - HG2 LYS 60 - HE2 LYS 49 lone 1 63 - 2 - HG2 LYS 60 - HE3 LYS 49 lone 1 63 - 2 - HG3 LYS 60 - HE2 LYS 49 lone 1 60 - 2 - HG3 LYS 60 - HE3 LYS 49 lone 1 60 - 2 - HG13 ILE 17 - HE2 LYS 49 lone 1 78 - 1 - HG13 ILE 17 - HE3 LYS 49 lone 1 78 - 1 - HB2 LYS 27 - HE2 LYS 60 lone 1 82 - 1 - HB2 LYS 27 - HE3 LYS 60 lone 1 81 - 1 - HB3 LEU 41 - HE2 LYS 60 lone 1 59 - 1 - HB3 LEU 41 - HE3 LYS 60 lone 1 58 - 1 - HB2 LYS 27 - HE2 LYS 62 lone 1 80 - 1 - HB3 LEU 41 - HE2 LYS 62 lone 1 57 - 1 - HB2 LYS 27 - HE3 LYS 62 lone 1 76 - 1 - HG13 ILE 17 - HE2 LYS 60 lone 1 77 - 1 - HG13 ILE 17 - HE3 LYS 60 lone 1 76 - 1 - HB3 LEU 41 - HE3 LYS 62 lone 1 54 - 1 - HB3 LEU 41 - HE3 LYS 39 lone 1 28 - 3 - HB3 LEU 41 - HE2 LYS 39 lone 1 28 - 3 - HG13 ILE 17 - HE2 LYS 62 lone 1 75 - 1 - HG13 ILE 17 - HE3 LYS 62 lone 1 71 - 1 - HG2 LYS 60 - HE2 LYS 39 lone 1 30 - 2 - HG2 LYS 60 - HE3 LYS 39 lone 1 30 - 2 - HG3 LYS 60 - HE3 LYS 39 lone 1 28 - 2 - HG3 LYS 60 - HE2 LYS 39 lone 1 28 - 2 - HB2 LYS 27 - HE3 LYS 39 lone 1 42 - 1 - HB2 LYS 27 - HE2 LYS 39 lone 1 42 - 1 - HG13 ILE 17 - HE2 LYS 39 lone 0 39 - 1 - HG13 ILE 17 - HE3 LYS 39 lone 0 39 - 1 - Peak 2457 from cnoeabs.peaks (1.70, 2.98, 42.17 ppm; 2.66 A): 4 out of 96 assignments used, quality = 1.00: HD2 LYS 49 + HE3 LYS 49 OK 79 100 - 79 - 3.0=71, 2435/3.6=6...(14) * HD2 LYS 49 + HE2 LYS 49 OK 79 100 - 79 - 3.0=71, 2435/3.6=6...(14) HD3 LYS 49 + HE3 LYS 49 OK 79 100 - 79 - 3.0=71, 2435/3.6=6...(14) HD3 LYS 49 + HE2 LYS 49 OK 79 100 - 79 - 3.0=71, 2435/3.6=6...(14) HD3 LYS 39 - HE2 LYS 39 OK 42 55 - 77 - 3.0=70, 2031/3.6=6...(10) HD2 LYS 39 - HE2 LYS 39 OK 42 55 - 77 - 3.0=70, 2031/3.6=6...(10) HD2 LYS 39 - HE3 LYS 39 OK 42 55 - 77 - 3.0=70, 2031/3.6=6...(10) HD3 LYS 39 - HE3 LYS 39 OK 42 55 - 77 - 3.0=70, 2031/3.6=6...(10) HG13 ILE 50 - HE3 LYS 49 OK 11 97 - 11 - 2.1/4604=3, ~4604=2...(5) HG13 ILE 50 - HE2 LYS 49 OK 11 97 - 11 - 2.1/4604=3, ~4604=2...(5) HD2 LYS 39 - HE3 LYS 49 lone 3 98 - 3 - HD2 LYS 39 - HE2 LYS 49 lone 3 98 - 3 - HD3 LYS 39 - HE3 LYS 49 lone 3 98 - 3 - HD3 LYS 39 - HE2 LYS 49 lone 3 98 - 3 - HD3 LYS 49 - HE3 LYS 39 lone 2 59 - 3 - HD3 LYS 49 - HE2 LYS 39 lone 2 59 - 3 - HD2 LYS 49 - HE3 LYS 39 lone 2 59 - 3 - HD2 LYS 49 - HE2 LYS 39 lone 2 59 - 3 - HG2 LYS 22 - HE2 LYS 49 lone 2 97 - 2 - HG2 LYS 22 - HE3 LYS 49 lone 2 97 - 2 - HB3 LEU 37 - HE2 LYS 49 lone 1 60 - 2 - HB3 LEU 37 - HE3 LYS 49 lone 1 60 - 2 - HD3 LYS 39 - HE2 LYS 60 lone 1 97 - 1 - HD2 LYS 39 - HE2 LYS 60 lone 1 97 - 1 - HD3 LYS 39 - HE3 LYS 60 lone 1 97 - 1 - HD2 LYS 39 - HE3 LYS 60 lone 1 97 - 1 - HD2 LYS 39 - HE2 LYS 62 lone 1 96 - 1 - HD3 LYS 39 - HE2 LYS 62 lone 1 96 - 1 - HG13 ILE 50 - HE2 LYS 60 lone 1 96 - 1 - HD3 LYS 39 - HE3 LYS 62 lone 1 93 - 1 - HD2 LYS 39 - HE3 LYS 62 lone 1 93 - 1 - HG13 ILE 50 - HE2 LYS 62 lone 1 94 - 1 - HG13 ILE 50 - HE3 LYS 60 lone 1 95 - 1 - HG13 ILE 50 - HE2 LYS 39 lone 1 53 - 2 - HG13 ILE 50 - HE3 LYS 39 lone 1 53 - 2 - HG13 ILE 50 - HE3 LYS 62 lone 1 91 - 1 - HD2 LYS 42 - HE3 LYS 49 lone 1 89 - 1 - HD2 LYS 42 - HE2 LYS 49 lone 1 89 - 1 - HD3 LYS 49 - HE2 LYS 60 lone 1 100 - 1 - HD2 LYS 49 - HE2 LYS 60 lone 1 100 - 1 - HD3 LYS 49 - HE3 LYS 60 lone 1 99 - 1 - HD2 LYS 49 - HE3 LYS 60 lone 1 99 - 1 - HG3 LYS 22 - HE3 LYS 49 lone 1 71 - 1 - HG3 LYS 22 - HE2 LYS 49 lone 1 71 - 1 - HB3 ARG 61 - HE2 LYS 62 lone 1 71 - 1 - HB3 ARG 61 - HE3 LYS 62 lone 1 67 - 1 - HD3 LYS 49 - HE2 LYS 62 lone 1 99 - 1 - HD2 LYS 49 - HE2 LYS 62 lone 1 99 - 1 - HD3 LYS 49 - HE3 LYS 62 lone 1 96 - 1 - HD2 LYS 49 - HE3 LYS 62 lone 1 96 - 1 - HB3 LEU 37 - HE3 LYS 39 lone 1 28 - 3 - HB3 LEU 37 - HE2 LYS 39 lone 1 28 - 3 - HB3 ARG 61 - HE2 LYS 49 lone 1 73 - 1 - HB3 ARG 61 - HE3 LYS 49 lone 1 73 - 1 - HB3 LEU 37 - HE2 LYS 62 lone 1 57 - 1 - HB3 LEU 37 - HE2 LYS 60 lone 0 59 - 1 - HB3 LEU 37 - HE3 LYS 60 lone 0 58 - 1 - HB3 ARG 61 - HE2 LYS 60 lone 0 72 - 1 - HB3 ARG 61 - HE3 LYS 60 lone 0 71 - 1 - HB3 LEU 37 - HE3 LYS 62 lone 0 54 - 1 - HB2 ARG 56 - HE2 LYS 49 lone 0 87 - 1 - HB2 ARG 56 - HE3 LYS 49 lone 0 87 - 1 - HB2 ARG 56 - HE2 LYS 39 lone 0 45 - 1 - HB2 ARG 56 - HE3 LYS 39 lone 0 45 - 1 - HG2 LYS 22 - HE2 LYS 62 lone 0 94 - 0 - HG2 LYS 22 - HE2 LYS 60 lone 0 96 - 0 - HG2 LYS 22 - HE3 LYS 60 lone 0 95 - 0 - HG2 LYS 22 - HE3 LYS 62 lone 0 91 - 0 - HG2 LYS 22 - HE3 LYS 39 lone 0 53 - 1 - HG2 LYS 22 - HE2 LYS 39 lone 0 53 - 1 - HB3 LYS 58 - HE2 LYS 62 lone 0 60 - 1 - HD2 LYS 42 - HE2 LYS 62 lone 0 86 - 0 - HD2 LYS 42 - HE2 LYS 60 lone 0 88 - 0 - HB3 LYS 58 - HE3 LYS 62 lone 0 57 - 1 - HD2 LYS 42 - HE3 LYS 60 lone 0 87 - 0 - HB3 LYS 58 - HE2 LYS 60 lone 0 62 - 1 - HD2 LYS 42 - HE3 LYS 62 lone 0 82 - 0 - HB3 LYS 58 - HE3 LYS 60 lone 0 61 - 1 - HB2 ARG 56 - HE2 LYS 62 lone 0 84 - 0 - HB2 ARG 56 - HE2 LYS 60 lone 0 86 - 0 - HB2 ARG 56 - HE3 LYS 60 lone 0 85 - 0 - HB3 LYS 58 - HE3 LYS 49 lone 0 63 - 1 - HB3 LYS 58 - HE2 LYS 49 lone 0 63 - 1 - HB2 ARG 56 - HE3 LYS 62 lone 0 80 - 0 - HG3 LYS 22 - HE2 LYS 62 lone 0 68 - 0 - HG3 LYS 22 - HE2 LYS 60 lone 0 70 - 0 - HG3 LYS 22 - HE3 LYS 60 lone 0 69 - 0 - HD2 LYS 42 - HE2 LYS 39 lone 0 46 - 1 - HD2 LYS 42 - HE3 LYS 39 lone 0 46 - 1 - HG3 LYS 22 - HE3 LYS 62 lone 0 64 - 0 - HB3 LYS 58 - HE3 LYS 39 lone 0 30 - 1 - HB3 LYS 58 - HE2 LYS 39 lone 0 30 - 1 - HG3 LYS 22 - HE3 LYS 39 lone 0 34 - 1 - HG3 LYS 22 - HE2 LYS 39 lone 0 34 - 1 - HB3 ARG 61 - HE2 LYS 39 lone 0 36 - 0 - HB3 ARG 61 - HE3 LYS 39 lone 0 36 - 0 - Peak 2458 from cnoeabs.peaks (1.70, 2.98, 42.17 ppm; 2.66 A): 4 out of 88 assignments used, quality = 1.00: * HD3 LYS 49 + HE2 LYS 49 OK 79 100 - 79 - 3.0=71, 2435/3.6=6...(14) HD3 LYS 49 + HE3 LYS 49 OK 79 100 - 79 - 3.0=71, 2435/3.6=6...(14) HD2 LYS 49 + HE2 LYS 49 OK 79 100 - 79 - 3.0=71, 2435/3.6=6...(14) HD2 LYS 49 + HE3 LYS 49 OK 79 100 - 79 - 3.0=71, 2435/3.6=6...(14) HD2 LYS 39 - HE3 LYS 39 OK 43 56 - 77 - 3.0=70, 2032/3.6=6...(10) HD2 LYS 39 - HE2 LYS 39 OK 43 56 - 77 - 3.0=70, 2032/3.6=6...(10) HD3 LYS 39 - HE3 LYS 39 OK 43 56 - 77 - 3.0=70, 2032/3.6=6...(10) HD3 LYS 39 - HE2 LYS 39 OK 43 56 - 77 - 3.0=70, 2032/3.6=6...(10) HG13 ILE 50 - HE2 LYS 49 OK 11 97 - 11 - 2.1/4604=3, ~4604=2...(5) HG13 ILE 50 - HE3 LYS 49 OK 11 97 - 11 - 2.1/4604=3, ~4604=2...(5) HD2 LYS 39 - HE2 LYS 49 lone 3 99 - 3 - HD2 LYS 39 - HE3 LYS 49 lone 3 99 - 3 - HD3 LYS 39 - HE3 LYS 49 lone 3 99 - 3 - HD3 LYS 39 - HE2 LYS 49 lone 3 99 - 3 - HD3 LYS 49 - HE2 LYS 39 lone 2 59 - 3 - HD3 LYS 49 - HE3 LYS 39 lone 2 59 - 3 - HD2 LYS 49 - HE2 LYS 39 lone 2 59 - 3 - HD2 LYS 49 - HE3 LYS 39 lone 2 59 - 3 - HG2 LYS 22 - HE2 LYS 49 lone 2 96 - 2 - HG2 LYS 22 - HE3 LYS 49 lone 2 96 - 2 - HD2 LYS 39 - HE2 LYS 60 lone 1 98 - 1 - HD3 LYS 39 - HE2 LYS 60 lone 1 98 - 1 - HD3 LYS 39 - HE3 LYS 60 lone 1 97 - 1 - HD2 LYS 39 - HE3 LYS 60 lone 1 97 - 1 - HD3 LYS 39 - HE2 LYS 62 lone 1 97 - 1 - HD2 LYS 39 - HE2 LYS 62 lone 1 97 - 1 - HG13 ILE 50 - HE2 LYS 60 lone 1 97 - 1 - HD3 LYS 39 - HE3 LYS 62 lone 1 93 - 1 - HD2 LYS 39 - HE3 LYS 62 lone 1 93 - 1 - HG13 ILE 50 - HE2 LYS 62 lone 1 95 - 1 - HG13 ILE 50 - HE3 LYS 39 lone 1 54 - 2 - HG13 ILE 50 - HE2 LYS 39 lone 1 54 - 2 - HG13 ILE 50 - HE3 LYS 60 lone 1 96 - 1 - HG13 ILE 50 - HE3 LYS 62 lone 1 92 - 1 - HG3 LYS 22 - HE2 LYS 49 lone 1 73 - 1 - HG3 LYS 22 - HE3 LYS 49 lone 1 73 - 1 - HD2 LYS 42 - HE2 LYS 49 lone 1 87 - 1 - HD2 LYS 42 - HE3 LYS 49 lone 1 87 - 1 - HD3 LYS 49 - HE2 LYS 60 lone 1 100 - 1 - HD2 LYS 49 - HE2 LYS 60 lone 1 100 - 1 - HD3 LYS 49 - HE3 LYS 60 lone 1 99 - 1 - HD2 LYS 49 - HE3 LYS 60 lone 1 99 - 1 - HB3 ARG 61 - HE2 LYS 62 lone 1 68 - 1 - HD3 LYS 49 - HE2 LYS 62 lone 1 99 - 1 - HD2 LYS 49 - HE2 LYS 62 lone 1 99 - 1 - HB3 ARG 61 - HE3 LYS 62 lone 1 64 - 1 - HD3 LYS 49 - HE3 LYS 62 lone 1 96 - 1 - HD2 LYS 49 - HE3 LYS 62 lone 1 96 - 1 - HB3 ARG 61 - HE2 LYS 49 lone 1 71 - 1 - HB3 ARG 61 - HE3 LYS 49 lone 1 71 - 1 - HB3 ARG 61 - HE2 LYS 60 lone 0 70 - 1 - HB2 ARG 56 - HE2 LYS 49 lone 0 85 - 1 - HB2 ARG 56 - HE3 LYS 49 lone 0 85 - 1 - HB3 ARG 61 - HE3 LYS 60 lone 0 69 - 1 - HB2 ARG 56 - HE3 LYS 39 lone 0 43 - 1 - HB2 ARG 56 - HE2 LYS 39 lone 0 43 - 1 - HG2 LYS 22 - HE2 LYS 62 lone 0 93 - 0 - HG2 LYS 22 - HE2 LYS 60 lone 0 95 - 0 - HG2 LYS 22 - HE3 LYS 60 lone 0 94 - 0 - HG2 LYS 22 - HE3 LYS 62 lone 0 89 - 0 - HG2 LYS 22 - HE3 LYS 39 lone 0 52 - 1 - HG2 LYS 22 - HE2 LYS 39 lone 0 52 - 1 - HB3 LYS 58 - HE2 LYS 62 lone 0 57 - 1 - HD2 LYS 42 - HE2 LYS 62 lone 0 84 - 0 - HD2 LYS 42 - HE2 LYS 60 lone 0 86 - 0 - HD2 LYS 42 - HE3 LYS 60 lone 0 85 - 0 - HB3 LYS 58 - HE3 LYS 62 lone 0 54 - 1 - HD2 LYS 42 - HE3 LYS 62 lone 0 80 - 0 - HB3 LYS 58 - HE2 LYS 60 lone 0 59 - 1 - HB2 ARG 56 - HE2 LYS 62 lone 0 82 - 0 - HB3 LYS 58 - HE3 LYS 60 lone 0 58 - 1 - HG3 LYS 22 - HE2 LYS 62 lone 0 71 - 0 - HB2 ARG 56 - HE2 LYS 60 lone 0 84 - 0 - HB2 ARG 56 - HE3 LYS 60 lone 0 83 - 0 - HG3 LYS 22 - HE2 LYS 60 lone 0 72 - 0 - HB2 ARG 56 - HE3 LYS 62 lone 0 78 - 0 - HG3 LYS 22 - HE3 LYS 60 lone 0 71 - 0 - HB3 LYS 58 - HE2 LYS 49 lone 0 60 - 1 - HB3 LYS 58 - HE3 LYS 49 lone 0 60 - 1 - HG3 LYS 22 - HE3 LYS 62 lone 0 67 - 0 - HD2 LYS 42 - HE3 LYS 39 lone 0 45 - 1 - HD2 LYS 42 - HE2 LYS 39 lone 0 45 - 1 - HG3 LYS 22 - HE2 LYS 39 lone 0 36 - 1 - HG3 LYS 22 - HE3 LYS 39 lone 0 36 - 1 - HB3 LYS 58 - HE3 LYS 39 lone 0 28 - 1 - HB3 LYS 58 - HE2 LYS 39 lone 0 28 - 1 - HB3 ARG 61 - HE2 LYS 39 lone 0 34 - 0 - HB3 ARG 61 - HE3 LYS 39 lone 0 34 - 0 - Peak 2459 from cnoeabs.peaks (2.98, 2.98, 42.17 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: * HE2 LYS 49 + HE2 LYS 49 OK 100 100 - 100 HE3 LYS 49 + HE3 LYS 49 OK 100 100 - 100 HE2 LYS 60 + HE2 LYS 60 OK 100 100 - 100 HE3 LYS 60 + HE3 LYS 60 OK 99 99 - 100 HE2 LYS 62 + HE2 LYS 62 OK 98 98 - 100 HE3 LYS 62 + HE3 LYS 62 OK 94 94 - 100 HE3 LYS 39 + HE3 LYS 39 OK 58 58 - 100 HE2 LYS 39 + HE2 LYS 39 OK 58 58 - 100 Peak 2460 from cnoeabs.peaks (2.98, 2.98, 42.17 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: HE2 LYS 49 + HE2 LYS 49 OK 100 100 - 100 HE3 LYS 49 + HE3 LYS 49 OK 100 100 - 100 HE2 LYS 60 + HE2 LYS 60 OK 100 100 - 100 HE3 LYS 60 + HE3 LYS 60 OK 99 99 - 100 HE2 LYS 62 + HE2 LYS 62 OK 98 98 - 100 HE3 LYS 62 + HE3 LYS 62 OK 94 94 - 100 HE3 LYS 39 + HE3 LYS 39 OK 58 58 - 100 HE2 LYS 39 + HE2 LYS 39 OK 58 58 - 100 Reference assignment not found: HE3 LYS 49 - HE2 LYS 49 Peak 2462 from cnoeabs.peaks (4.33, 2.98, 42.17 ppm; 3.69 A): 3 out of 56 assignments used, quality = 0.94: HA LYS 49 + HE2 LYS 49 OK 71 100 - 71 - 6.3=20, 2386/3.6=19...(18) * HA LYS 49 + HE3 LYS 49 OK 71 100 - 71 - 6.3=20, 2386/3.6=19...(18) HA HIS 36 + HE2 LYS 39 OK 28 53 - 52 - 4368/3.6=12, 4788/3.6=9...(13) HA HIS 36 - HE3 LYS 39 OK 28 53 - 52 - 4368/3.6=12, 4788/3.6=9...(13) HA LYS 49 - HE3 LYS 39 poor 8 59 - 14 - 2388/3.0=2, 2388/3.0=2 HA LYS 49 - HE2 LYS 39 poor 8 59 - 14 - 2388/3.0=2, 2388/3.0=2 HA HIS 36 - HE2 LYS 49 lone 7 97 - 7 - 4368/3.6=1, 4367/3.0=1...(4) HA HIS 36 - HE3 LYS 49 lone 7 97 - 7 - 4368/3.6=1, 4367/3.0=1...(4) HA HIS 36 - HE2 LYS 62 lone 6 94 - 6 - HA HIS 36 - HE3 LYS 62 lone 5 91 - 6 - HA HIS 36 - HE2 LYS 60 lone 5 96 - 5 - HA HIS 36 - HE3 LYS 60 lone 5 95 - 5 - HA LEU 41 - HE2 LYS 39 lone 3 52 - 5 - 1000/7.4=1, 3753/4.9=1 HA LEU 41 - HE3 LYS 39 lone 3 52 - 5 - 1000/7.4=1, 3753/4.9=1 HA LYS 49 - HE2 LYS 60 lone 2 100 - 2 - HA LYS 49 - HE3 LYS 60 lone 2 99 - 2 - HA LEU 41 - HE2 LYS 49 lone 2 96 - 2 - HA LEU 41 - HE3 LYS 49 lone 2 96 - 2 - HA LYS 49 - HE2 LYS 62 lone 2 99 - 2 - HA LYS 49 - HE3 LYS 62 lone 2 96 - 2 - HA LYS 22 - HE3 LYS 49 lone 2 76 - 2 - HA LYS 22 - HE2 LYS 49 lone 2 76 - 2 - HA LEU 41 - HE2 LYS 60 lone 1 95 - 1 - HA LEU 41 - HE2 LYS 62 lone 1 93 - 1 - HA LEU 41 - HE3 LYS 60 lone 1 94 - 1 - HA LEU 41 - HE3 LYS 62 lone 1 89 - 1 - HA LYS 22 - HE2 LYS 62 lone 1 73 - 1 - HA GLN 63 - HE2 LYS 60 lone 1 92 - 1 - HA GLN 63 - HE3 LYS 60 lone 1 92 - 1 - HA GLN 63 - HE2 LYS 62 lone 1 91 - 1 - HA LYS 22 - HE3 LYS 62 lone 1 69 - 1 - HA LYS 22 - HE3 LYS 39 lone 1 38 - 3 - HA LYS 22 - HE2 LYS 39 lone 1 38 - 3 - HA GLN 63 - HE3 LYS 62 lone 1 87 - 1 - HA GLN 63 - HE3 LYS 49 lone 1 93 - 1 - HA GLN 63 - HE2 LYS 49 lone 1 93 - 1 - HA GLU 67 - HE2 LYS 49 lone 1 92 - 1 - HA GLU 67 - HE3 LYS 49 lone 1 92 - 1 - HA LYS 22 - HE2 LYS 60 lone 1 75 - 1 - HA LYS 22 - HE3 LYS 60 lone 1 74 - 1 - HA GLU 67 - HE2 LYS 60 lone 1 91 - 1 - HA GLU 67 - HE3 LYS 60 lone 1 90 - 1 - HA GLU 67 - HE2 LYS 62 lone 1 89 - 1 - HA ASN 54 - HE2 LYS 49 lone 1 65 - 1 - HA ASN 54 - HE3 LYS 49 lone 1 65 - 1 - HA GLU 67 - HE3 LYS 62 lone 1 85 - 1 - HA GLN 63 - HE3 LYS 39 lone 1 50 - 1 - HA GLN 63 - HE2 LYS 39 lone 1 50 - 1 - HA GLU 67 - HE3 LYS 39 lone 1 49 - 1 - HA GLU 67 - HE2 LYS 39 lone 1 49 - 1 - HA ASN 54 - HE2 LYS 60 lone 0 64 - 1 - HA ASN 54 - HE3 LYS 60 lone 0 64 - 1 - HA ASN 54 - HE2 LYS 62 lone 0 63 - 1 - HA ASN 54 - HE3 LYS 62 lone 0 59 - 1 - HA ASN 54 - HE2 LYS 39 lone 0 31 - 1 - HA ASN 54 - HE3 LYS 39 lone 0 31 - 1 - Peak 2464 from cnoeabs.peaks (1.88, 2.98, 42.17 ppm; 3.92 A): 2 out of 48 assignments used, quality = 0.99: HB3 LYS 49 + HE2 LYS 49 OK 90 100 - 90 - 4.8=55, 2408/3.0=10...(30) * HB3 LYS 49 + HE3 LYS 49 OK 90 100 - 90 - 4.8=55, 2408/3.0=10...(30) HB3 LYS 49 - HE2 LYS 39 poor 9 59 - 14 - 2408/3.0=2, 2408/3.0=2...(4) HB3 LYS 49 - HE3 LYS 39 poor 9 59 - 14 - 2408/3.0=2, 2408/3.0=2...(4) HB2 LYS 42 - HE2 LYS 49 lone 6 98 - 6 - HB2 LYS 42 - HE3 LYS 49 lone 6 98 - 6 - HB3 ARG 34 - HE3 LYS 49 lone 5 78 - 7 - 718/6.9=2 HB3 ARG 34 - HE2 LYS 49 lone 5 78 - 7 - 718/6.9=2 HG LEU 41 - HE2 LYS 49 lone 3 93 - 3 - HG LEU 41 - HE3 LYS 49 lone 3 93 - 3 - HB3 LYS 49 - HE2 LYS 60 lone 3 100 - 3 - HB3 LYS 49 - HE3 LYS 60 lone 3 99 - 3 - HB2 LYS 42 - HE2 LYS 62 lone 3 96 - 3 - HB2 LYS 42 - HE3 LYS 62 lone 3 93 - 3 - HB3 LYS 49 - HE2 LYS 62 lone 3 99 - 3 - HB3 LYS 49 - HE3 LYS 62 lone 3 96 - 3 - HB2 GLU 33 - HE2 LYS 39 lone 2 58 - 4 - HB2 GLU 33 - HE3 LYS 39 lone 2 58 - 4 - HB2 LYS 42 - HE2 LYS 60 lone 2 97 - 2 - HB2 LYS 42 - HE3 LYS 60 lone 2 97 - 2 - HB2 GLU 33 - HE3 LYS 49 lone 2 100 - 2 - HB2 GLU 33 - HE2 LYS 49 lone 2 100 - 2 - HB2 GLU 33 - HE2 LYS 62 lone 2 99 - 2 - HB2 GLU 33 - HE3 LYS 62 lone 2 96 - 2 - HG LEU 41 - HE2 LYS 60 lone 1 92 - 2 - HG2 ARG 21 - HE2 LYS 49 lone 1 78 - 2 - HG2 ARG 21 - HE3 LYS 49 lone 1 78 - 2 - HG LEU 41 - HE2 LYS 62 lone 1 91 - 2 - HG LEU 41 - HE3 LYS 60 lone 1 92 - 2 - HB2 LYS 42 - HE2 LYS 39 lone 1 55 - 3 - 1827/6.1=1 HB2 LYS 42 - HE3 LYS 39 lone 1 55 - 3 - 1827/6.1=1 HG LEU 41 - HE3 LYS 62 lone 1 87 - 2 - HG LEU 41 - HE2 LYS 39 lone 1 50 - 3 - HG LEU 41 - HE3 LYS 39 lone 1 50 - 3 - HB2 GLU 33 - HE2 LYS 60 lone 1 100 - 1 - HB2 GLU 33 - HE3 LYS 60 lone 1 99 - 1 - HB3 ARG 34 - HE2 LYS 60 lone 1 77 - 1 - HB3 ARG 34 - HE2 LYS 62 lone 1 75 - 1 - HB3 ARG 34 - HE3 LYS 60 lone 1 76 - 1 - HB3 ARG 34 - HE3 LYS 62 lone 1 71 - 1 - HG2 ARG 21 - HE2 LYS 62 lone 1 75 - 1 - HG2 ARG 21 - HE3 LYS 62 lone 1 71 - 1 - HG2 ARG 21 - HE2 LYS 60 lone 1 77 - 1 - HG2 ARG 21 - HE3 LYS 60 lone 1 76 - 1 - HG2 ARG 21 - HE3 LYS 39 lone 1 39 - 2 - HG2 ARG 21 - HE2 LYS 39 lone 1 39 - 2 - HB3 ARG 34 - HE3 LYS 39 lone 1 39 - 2 - HB3 ARG 34 - HE2 LYS 39 lone 1 39 - 2 - Peak 2465 from cnoeabs.peaks (1.57, 2.98, 42.17 ppm; 3.31 A): 2 out of 64 assignments used, quality = 0.99: HG2 LYS 49 + HE2 LYS 49 OK 91 100 - 91 - 3.6=77, 2435/3.0=11...(27) * HG2 LYS 49 + HE3 LYS 49 OK 91 100 - 91 - 3.6=77, 2435/3.0=11...(27) HG3 LYS 39 - HE2 LYS 39 OK 29 33 - 87 - 3.6=76, 2032/3.0=7...(27) HG3 LYS 39 - HE3 LYS 39 OK 29 33 - 87 - 3.6=76, 2032/3.0=7...(27) HG3 ARG 34 - HE2 LYS 49 lone 7 92 - 7 - 2385/6.3=2, 719/6.9=2 HG3 ARG 34 - HE3 LYS 49 lone 7 92 - 7 - 2385/6.3=2, 719/6.9=2 HG LEU 37 - HE2 LYS 49 lone 5 97 - 5 - 2.1/4383=1, ~4383=1 HG LEU 37 - HE3 LYS 49 lone 5 97 - 5 - 2.1/4383=1, ~4383=1 HG2 LYS 49 - HE2 LYS 39 lone 4 59 - 8 - 2418/3.0=1, 2418/3.0=1 HG2 LYS 49 - HE3 LYS 39 lone 4 59 - 8 - 2418/3.0=1, 2418/3.0=1 HG3 LYS 39 - HE3 LYS 49 lone 4 68 - 6 - HG3 LYS 39 - HE2 LYS 49 lone 4 68 - 6 - HB3 LYS 27 - HE2 LYS 49 lone 4 97 - 4 - HB3 LYS 27 - HE3 LYS 49 lone 4 97 - 4 - HG LEU 37 - HE3 LYS 39 lone 3 53 - 6 - 2.1/4383=2, ~4383=1, 1959/6.1=1 HG LEU 37 - HE2 LYS 39 lone 3 53 - 6 - 2.1/4383=2, ~4383=1, 1959/6.1=1 HG3 LYS 39 - HE2 LYS 62 lone 2 65 - 4 - HG3 LYS 39 - HE2 LYS 60 lone 2 67 - 4 - HG3 LYS 39 - HE3 LYS 60 lone 2 66 - 4 - HG3 LYS 39 - HE3 LYS 62 lone 2 62 - 4 - HG2 LYS 49 - HE2 LYS 60 lone 2 100 - 2 - HG2 LYS 49 - HE3 LYS 60 lone 2 99 - 2 - HG3 ARG 61 - HE2 LYS 62 lone 2 71 - 3 - 330/7.4=1 HG2 LYS 49 - HE2 LYS 62 lone 2 99 - 2 - HG2 ARG 61 - HE2 LYS 62 lone 2 68 - 3 - 330/7.4=1 HG3 ARG 61 - HE3 LYS 62 lone 2 67 - 3 - 330/7.4=1 HG2 LYS 49 - HE3 LYS 62 lone 2 96 - 2 - HG2 ARG 61 - HE3 LYS 62 lone 2 64 - 3 - 330/7.4=1 QB ALA 31 - HE3 LYS 49 lone 2 95 - 2 - QB ALA 31 - HE2 LYS 49 lone 2 95 - 2 - HG LEU 37 - HE2 LYS 62 lone 2 94 - 2 - HG LEU 37 - HE2 LYS 60 lone 2 96 - 2 - HG LEU 37 - HE3 LYS 60 lone 2 95 - 2 - HG LEU 37 - HE3 LYS 62 lone 2 91 - 2 - HG3 ARG 61 - HE2 LYS 49 lone 1 73 - 1 - HG3 ARG 61 - HE3 LYS 49 lone 1 73 - 1 - HG2 ARG 61 - HE3 LYS 49 lone 1 71 - 1 - HG2 ARG 61 - HE2 LYS 49 lone 1 71 - 1 - HB3 LYS 27 - HE2 LYS 60 lone 1 96 - 1 - HG3 ARG 34 - HE2 LYS 62 lone 1 89 - 1 - HB3 LYS 27 - HE3 LYS 60 lone 1 95 - 1 - HB3 LYS 27 - HE2 LYS 62 lone 1 94 - 1 - HG3 ARG 34 - HE2 LYS 60 lone 1 91 - 1 - HG3 ARG 34 - HE3 LYS 62 lone 1 85 - 1 - HG3 ARG 34 - HE3 LYS 60 lone 1 90 - 1 - HB3 LYS 27 - HE3 LYS 62 lone 1 91 - 1 - HB3 LYS 27 - HE2 LYS 39 lone 1 53 - 1 - HB3 LYS 27 - HE3 LYS 39 lone 1 53 - 1 - HG3 ARG 61 - HE2 LYS 60 lone 1 72 - 1 - HG3 ARG 61 - HE3 LYS 60 lone 1 71 - 1 - HG2 ARG 61 - HE2 LYS 60 lone 1 70 - 1 - HG2 ARG 61 - HE3 LYS 60 lone 1 69 - 1 - QB ALA 31 - HE2 LYS 60 lone 1 94 - 1 - QB ALA 31 - HE3 LYS 60 lone 1 93 - 1 - QB ALA 31 - HE2 LYS 62 lone 1 92 - 1 - HG3 ARG 34 - HE2 LYS 39 lone 1 49 - 1 - HG3 ARG 34 - HE3 LYS 39 lone 1 49 - 1 - QB ALA 31 - HE3 LYS 62 lone 0 88 - 1 - QB ALA 31 - HE2 LYS 39 lone 0 51 - 1 - QB ALA 31 - HE3 LYS 39 lone 0 51 - 1 - HG3 ARG 61 - HE2 LYS 39 lone 0 36 - 1 - HG3 ARG 61 - HE3 LYS 39 lone 0 36 - 1 - HG2 ARG 61 - HE2 LYS 39 lone 0 34 - 1 - HG2 ARG 61 - HE3 LYS 39 lone 0 34 - 1 - Peak 2466 from cnoeabs.peaks (1.40, 2.98, 42.17 ppm; 3.61 A): 6 out of 48 assignments used, quality = 1.00: HG3 LYS 49 + HE2 LYS 49 OK 100 100 - 100 - 3.6=100 * HG3 LYS 49 + HE3 LYS 49 OK 100 100 - 100 - 3.6=100 HG2 LYS 60 + HE2 LYS 60 OK 56 62 - 91 - 3.9=77, 3.0/2998=4...(39) HG2 LYS 60 + HE3 LYS 60 OK 56 61 - 91 - 3.9=77, 3.0/2998=4...(39) HG3 LYS 60 + HE2 LYS 60 OK 54 59 - 91 - 3.9=77, 3.0/2998=4...(39) HG3 LYS 60 + HE3 LYS 60 OK 53 58 - 91 - 3.9=77, 3.0/2998=4...(39) HG2 LYS 60 - HE2 LYS 62 poor 8 60 - 13 - HG3 LYS 60 - HE2 LYS 62 poor 7 57 - 13 - HG2 LYS 60 - HE3 LYS 62 poor 7 57 - 13 - HG3 LYS 60 - HE3 LYS 62 poor 7 54 - 13 - HG3 LYS 49 - HE3 LYS 39 lone 5 59 - 9 - HG3 LYS 49 - HE2 LYS 39 lone 5 59 - 9 - HB2 LYS 27 - HE2 LYS 49 lone 3 83 - 4 - HB2 LYS 27 - HE3 LYS 49 lone 3 83 - 4 - HG3 LYS 49 - HE2 LYS 60 lone 2 100 - 2 - HG3 LYS 49 - HE3 LYS 60 lone 2 99 - 2 - HG3 LYS 49 - HE2 LYS 62 lone 2 99 - 2 - HG3 LYS 49 - HE3 LYS 62 lone 2 96 - 2 - HB3 LEU 41 - HE3 LYS 49 lone 2 60 - 3 - HB3 LEU 41 - HE2 LYS 49 lone 2 60 - 3 - HG2 LYS 60 - HE2 LYS 49 lone 1 63 - 2 - HG2 LYS 60 - HE3 LYS 49 lone 1 63 - 2 - HG3 LYS 60 - HE2 LYS 49 lone 1 60 - 2 - HG3 LYS 60 - HE3 LYS 49 lone 1 60 - 2 - HG13 ILE 17 - HE2 LYS 49 lone 1 78 - 1 - HG13 ILE 17 - HE3 LYS 49 lone 1 78 - 1 - HB2 LYS 27 - HE2 LYS 60 lone 1 82 - 1 - HB2 LYS 27 - HE3 LYS 60 lone 1 81 - 1 - HB3 LEU 41 - HE2 LYS 60 lone 1 59 - 1 - HB3 LEU 41 - HE3 LYS 60 lone 1 58 - 1 - HB2 LYS 27 - HE2 LYS 62 lone 1 80 - 1 - HB3 LEU 41 - HE2 LYS 62 lone 1 57 - 1 - HB2 LYS 27 - HE3 LYS 62 lone 1 76 - 1 - HG13 ILE 17 - HE2 LYS 60 lone 1 77 - 1 - HG13 ILE 17 - HE3 LYS 60 lone 1 76 - 1 - HB3 LEU 41 - HE3 LYS 62 lone 1 54 - 1 - HB3 LEU 41 - HE3 LYS 39 lone 1 28 - 3 - HB3 LEU 41 - HE2 LYS 39 lone 1 28 - 3 - HG13 ILE 17 - HE2 LYS 62 lone 1 75 - 1 - HG13 ILE 17 - HE3 LYS 62 lone 1 71 - 1 - HG2 LYS 60 - HE2 LYS 39 lone 1 30 - 2 - HG2 LYS 60 - HE3 LYS 39 lone 1 30 - 2 - HG3 LYS 60 - HE3 LYS 39 lone 1 28 - 2 - HG3 LYS 60 - HE2 LYS 39 lone 1 28 - 2 - HB2 LYS 27 - HE3 LYS 39 lone 1 42 - 1 - HB2 LYS 27 - HE2 LYS 39 lone 1 42 - 1 - HG13 ILE 17 - HE2 LYS 39 lone 0 39 - 1 - HG13 ILE 17 - HE3 LYS 39 lone 0 39 - 1 - Peak 2467 from cnoeabs.peaks (1.70, 2.98, 42.17 ppm; 2.66 A): 4 out of 96 assignments used, quality = 1.00: * HD2 LYS 49 + HE3 LYS 49 OK 79 100 - 79 - 3.0=71, 2435/3.6=6...(14) HD2 LYS 49 + HE2 LYS 49 OK 79 100 - 79 - 3.0=71, 2435/3.6=6...(14) HD3 LYS 49 + HE3 LYS 49 OK 79 100 - 79 - 3.0=71, 2435/3.6=6...(14) HD3 LYS 49 + HE2 LYS 49 OK 79 100 - 79 - 3.0=71, 2435/3.6=6...(14) HD3 LYS 39 - HE2 LYS 39 OK 42 55 - 77 - 3.0=70, 2031/3.6=6...(10) HD2 LYS 39 - HE2 LYS 39 OK 42 55 - 77 - 3.0=70, 2031/3.6=6...(10) HD2 LYS 39 - HE3 LYS 39 OK 42 55 - 77 - 3.0=70, 2031/3.6=6...(10) HD3 LYS 39 - HE3 LYS 39 OK 42 55 - 77 - 3.0=70, 2031/3.6=6...(10) HG13 ILE 50 - HE3 LYS 49 OK 11 97 - 11 - 2.1/4604=3, ~4604=2...(5) HG13 ILE 50 - HE2 LYS 49 OK 11 97 - 11 - 2.1/4604=3, ~4604=2...(5) HD2 LYS 39 - HE3 LYS 49 lone 3 98 - 3 - HD2 LYS 39 - HE2 LYS 49 lone 3 98 - 3 - HD3 LYS 39 - HE3 LYS 49 lone 3 98 - 3 - HD3 LYS 39 - HE2 LYS 49 lone 3 98 - 3 - HD3 LYS 49 - HE3 LYS 39 lone 2 59 - 3 - HD3 LYS 49 - HE2 LYS 39 lone 2 59 - 3 - HD2 LYS 49 - HE3 LYS 39 lone 2 59 - 3 - HD2 LYS 49 - HE2 LYS 39 lone 2 59 - 3 - HG2 LYS 22 - HE2 LYS 49 lone 2 97 - 2 - HG2 LYS 22 - HE3 LYS 49 lone 2 97 - 2 - HB3 LEU 37 - HE2 LYS 49 lone 1 60 - 2 - HB3 LEU 37 - HE3 LYS 49 lone 1 60 - 2 - HD3 LYS 39 - HE2 LYS 60 lone 1 97 - 1 - HD2 LYS 39 - HE2 LYS 60 lone 1 97 - 1 - HD3 LYS 39 - HE3 LYS 60 lone 1 97 - 1 - HD2 LYS 39 - HE3 LYS 60 lone 1 97 - 1 - HD2 LYS 39 - HE2 LYS 62 lone 1 96 - 1 - HD3 LYS 39 - HE2 LYS 62 lone 1 96 - 1 - HG13 ILE 50 - HE2 LYS 60 lone 1 96 - 1 - HD3 LYS 39 - HE3 LYS 62 lone 1 93 - 1 - HD2 LYS 39 - HE3 LYS 62 lone 1 93 - 1 - HG13 ILE 50 - HE2 LYS 62 lone 1 94 - 1 - HG13 ILE 50 - HE3 LYS 60 lone 1 95 - 1 - HG13 ILE 50 - HE2 LYS 39 lone 1 53 - 2 - HG13 ILE 50 - HE3 LYS 39 lone 1 53 - 2 - HG13 ILE 50 - HE3 LYS 62 lone 1 91 - 1 - HD2 LYS 42 - HE3 LYS 49 lone 1 89 - 1 - HD2 LYS 42 - HE2 LYS 49 lone 1 89 - 1 - HD3 LYS 49 - HE2 LYS 60 lone 1 100 - 1 - HD2 LYS 49 - HE2 LYS 60 lone 1 100 - 1 - HD3 LYS 49 - HE3 LYS 60 lone 1 99 - 1 - HD2 LYS 49 - HE3 LYS 60 lone 1 99 - 1 - HG3 LYS 22 - HE3 LYS 49 lone 1 71 - 1 - HG3 LYS 22 - HE2 LYS 49 lone 1 71 - 1 - HB3 ARG 61 - HE2 LYS 62 lone 1 71 - 1 - HB3 ARG 61 - HE3 LYS 62 lone 1 67 - 1 - HD3 LYS 49 - HE2 LYS 62 lone 1 99 - 1 - HD2 LYS 49 - HE2 LYS 62 lone 1 99 - 1 - HD3 LYS 49 - HE3 LYS 62 lone 1 96 - 1 - HD2 LYS 49 - HE3 LYS 62 lone 1 96 - 1 - HB3 LEU 37 - HE3 LYS 39 lone 1 28 - 3 - HB3 LEU 37 - HE2 LYS 39 lone 1 28 - 3 - HB3 ARG 61 - HE2 LYS 49 lone 1 73 - 1 - HB3 ARG 61 - HE3 LYS 49 lone 1 73 - 1 - HB3 LEU 37 - HE2 LYS 62 lone 1 57 - 1 - HB3 LEU 37 - HE2 LYS 60 lone 0 59 - 1 - HB3 LEU 37 - HE3 LYS 60 lone 0 58 - 1 - HB3 ARG 61 - HE2 LYS 60 lone 0 72 - 1 - HB3 ARG 61 - HE3 LYS 60 lone 0 71 - 1 - HB3 LEU 37 - HE3 LYS 62 lone 0 54 - 1 - HB2 ARG 56 - HE2 LYS 49 lone 0 87 - 1 - HB2 ARG 56 - HE3 LYS 49 lone 0 87 - 1 - HB2 ARG 56 - HE2 LYS 39 lone 0 45 - 1 - HB2 ARG 56 - HE3 LYS 39 lone 0 45 - 1 - HG2 LYS 22 - HE2 LYS 62 lone 0 94 - 0 - HG2 LYS 22 - HE2 LYS 60 lone 0 96 - 0 - HG2 LYS 22 - HE3 LYS 60 lone 0 95 - 0 - HG2 LYS 22 - HE3 LYS 62 lone 0 91 - 0 - HG2 LYS 22 - HE3 LYS 39 lone 0 53 - 1 - HG2 LYS 22 - HE2 LYS 39 lone 0 53 - 1 - HB3 LYS 58 - HE2 LYS 62 lone 0 60 - 1 - HD2 LYS 42 - HE2 LYS 62 lone 0 86 - 0 - HD2 LYS 42 - HE2 LYS 60 lone 0 88 - 0 - HB3 LYS 58 - HE3 LYS 62 lone 0 57 - 1 - HD2 LYS 42 - HE3 LYS 60 lone 0 87 - 0 - HB3 LYS 58 - HE2 LYS 60 lone 0 62 - 1 - HD2 LYS 42 - HE3 LYS 62 lone 0 82 - 0 - HB3 LYS 58 - HE3 LYS 60 lone 0 61 - 1 - HB2 ARG 56 - HE2 LYS 62 lone 0 84 - 0 - HB2 ARG 56 - HE2 LYS 60 lone 0 86 - 0 - HB2 ARG 56 - HE3 LYS 60 lone 0 85 - 0 - HB3 LYS 58 - HE3 LYS 49 lone 0 63 - 1 - HB3 LYS 58 - HE2 LYS 49 lone 0 63 - 1 - HB2 ARG 56 - HE3 LYS 62 lone 0 80 - 0 - HG3 LYS 22 - HE2 LYS 62 lone 0 68 - 0 - HG3 LYS 22 - HE2 LYS 60 lone 0 70 - 0 - HG3 LYS 22 - HE3 LYS 60 lone 0 69 - 0 - HD2 LYS 42 - HE2 LYS 39 lone 0 46 - 1 - HD2 LYS 42 - HE3 LYS 39 lone 0 46 - 1 - HG3 LYS 22 - HE3 LYS 62 lone 0 64 - 0 - HB3 LYS 58 - HE3 LYS 39 lone 0 30 - 1 - HB3 LYS 58 - HE2 LYS 39 lone 0 30 - 1 - HG3 LYS 22 - HE3 LYS 39 lone 0 34 - 1 - HG3 LYS 22 - HE2 LYS 39 lone 0 34 - 1 - HB3 ARG 61 - HE2 LYS 39 lone 0 36 - 0 - HB3 ARG 61 - HE3 LYS 39 lone 0 36 - 0 - Peak 2468 from cnoeabs.peaks (1.70, 2.98, 42.17 ppm; 2.66 A): 4 out of 88 assignments used, quality = 1.00: HD3 LYS 49 + HE2 LYS 49 OK 79 100 - 79 - 3.0=71, 2435/3.6=6...(14) * HD3 LYS 49 + HE3 LYS 49 OK 79 100 - 79 - 3.0=71, 2435/3.6=6...(14) HD2 LYS 49 + HE2 LYS 49 OK 79 100 - 79 - 3.0=71, 2435/3.6=6...(14) HD2 LYS 49 + HE3 LYS 49 OK 79 100 - 79 - 3.0=71, 2435/3.6=6...(14) HD2 LYS 39 - HE3 LYS 39 OK 43 56 - 77 - 3.0=70, 2032/3.6=6...(10) HD2 LYS 39 - HE2 LYS 39 OK 43 56 - 77 - 3.0=70, 2032/3.6=6...(10) HD3 LYS 39 - HE3 LYS 39 OK 43 56 - 77 - 3.0=70, 2032/3.6=6...(10) HD3 LYS 39 - HE2 LYS 39 OK 43 56 - 77 - 3.0=70, 2032/3.6=6...(10) HG13 ILE 50 - HE2 LYS 49 OK 11 97 - 11 - 2.1/4604=3, ~4604=2...(5) HG13 ILE 50 - HE3 LYS 49 OK 11 97 - 11 - 2.1/4604=3, ~4604=2...(5) HD2 LYS 39 - HE2 LYS 49 lone 3 99 - 3 - HD2 LYS 39 - HE3 LYS 49 lone 3 99 - 3 - HD3 LYS 39 - HE3 LYS 49 lone 3 99 - 3 - HD3 LYS 39 - HE2 LYS 49 lone 3 99 - 3 - HD3 LYS 49 - HE2 LYS 39 lone 2 59 - 3 - HD3 LYS 49 - HE3 LYS 39 lone 2 59 - 3 - HD2 LYS 49 - HE2 LYS 39 lone 2 59 - 3 - HD2 LYS 49 - HE3 LYS 39 lone 2 59 - 3 - HG2 LYS 22 - HE2 LYS 49 lone 2 96 - 2 - HG2 LYS 22 - HE3 LYS 49 lone 2 96 - 2 - HD2 LYS 39 - HE2 LYS 60 lone 1 98 - 1 - HD3 LYS 39 - HE2 LYS 60 lone 1 98 - 1 - HD3 LYS 39 - HE3 LYS 60 lone 1 97 - 1 - HD2 LYS 39 - HE3 LYS 60 lone 1 97 - 1 - HD3 LYS 39 - HE2 LYS 62 lone 1 97 - 1 - HD2 LYS 39 - HE2 LYS 62 lone 1 97 - 1 - HG13 ILE 50 - HE2 LYS 60 lone 1 97 - 1 - HD3 LYS 39 - HE3 LYS 62 lone 1 93 - 1 - HD2 LYS 39 - HE3 LYS 62 lone 1 93 - 1 - HG13 ILE 50 - HE2 LYS 62 lone 1 95 - 1 - HG13 ILE 50 - HE3 LYS 39 lone 1 54 - 2 - HG13 ILE 50 - HE2 LYS 39 lone 1 54 - 2 - HG13 ILE 50 - HE3 LYS 60 lone 1 96 - 1 - HG13 ILE 50 - HE3 LYS 62 lone 1 92 - 1 - HG3 LYS 22 - HE2 LYS 49 lone 1 73 - 1 - HG3 LYS 22 - HE3 LYS 49 lone 1 73 - 1 - HD2 LYS 42 - HE2 LYS 49 lone 1 87 - 1 - HD2 LYS 42 - HE3 LYS 49 lone 1 87 - 1 - HD3 LYS 49 - HE2 LYS 60 lone 1 100 - 1 - HD2 LYS 49 - HE2 LYS 60 lone 1 100 - 1 - HD3 LYS 49 - HE3 LYS 60 lone 1 99 - 1 - HD2 LYS 49 - HE3 LYS 60 lone 1 99 - 1 - HB3 ARG 61 - HE2 LYS 62 lone 1 68 - 1 - HD3 LYS 49 - HE2 LYS 62 lone 1 99 - 1 - HD2 LYS 49 - HE2 LYS 62 lone 1 99 - 1 - HB3 ARG 61 - HE3 LYS 62 lone 1 64 - 1 - HD3 LYS 49 - HE3 LYS 62 lone 1 96 - 1 - HD2 LYS 49 - HE3 LYS 62 lone 1 96 - 1 - HB3 ARG 61 - HE2 LYS 49 lone 1 71 - 1 - HB3 ARG 61 - HE3 LYS 49 lone 1 71 - 1 - HB3 ARG 61 - HE2 LYS 60 lone 0 70 - 1 - HB2 ARG 56 - HE2 LYS 49 lone 0 85 - 1 - HB2 ARG 56 - HE3 LYS 49 lone 0 85 - 1 - HB3 ARG 61 - HE3 LYS 60 lone 0 69 - 1 - HB2 ARG 56 - HE3 LYS 39 lone 0 43 - 1 - HB2 ARG 56 - HE2 LYS 39 lone 0 43 - 1 - HG2 LYS 22 - HE2 LYS 62 lone 0 93 - 0 - HG2 LYS 22 - HE2 LYS 60 lone 0 95 - 0 - HG2 LYS 22 - HE3 LYS 60 lone 0 94 - 0 - HG2 LYS 22 - HE3 LYS 62 lone 0 89 - 0 - HG2 LYS 22 - HE3 LYS 39 lone 0 52 - 1 - HG2 LYS 22 - HE2 LYS 39 lone 0 52 - 1 - HB3 LYS 58 - HE2 LYS 62 lone 0 57 - 1 - HD2 LYS 42 - HE2 LYS 62 lone 0 84 - 0 - HD2 LYS 42 - HE2 LYS 60 lone 0 86 - 0 - HD2 LYS 42 - HE3 LYS 60 lone 0 85 - 0 - HB3 LYS 58 - HE3 LYS 62 lone 0 54 - 1 - HD2 LYS 42 - HE3 LYS 62 lone 0 80 - 0 - HB3 LYS 58 - HE2 LYS 60 lone 0 59 - 1 - HB2 ARG 56 - HE2 LYS 62 lone 0 82 - 0 - HB3 LYS 58 - HE3 LYS 60 lone 0 58 - 1 - HG3 LYS 22 - HE2 LYS 62 lone 0 71 - 0 - HB2 ARG 56 - HE2 LYS 60 lone 0 84 - 0 - HB2 ARG 56 - HE3 LYS 60 lone 0 83 - 0 - HG3 LYS 22 - HE2 LYS 60 lone 0 72 - 0 - HB2 ARG 56 - HE3 LYS 62 lone 0 78 - 0 - HG3 LYS 22 - HE3 LYS 60 lone 0 71 - 0 - HB3 LYS 58 - HE2 LYS 49 lone 0 60 - 1 - HB3 LYS 58 - HE3 LYS 49 lone 0 60 - 1 - HG3 LYS 22 - HE3 LYS 62 lone 0 67 - 0 - HD2 LYS 42 - HE3 LYS 39 lone 0 45 - 1 - HD2 LYS 42 - HE2 LYS 39 lone 0 45 - 1 - HG3 LYS 22 - HE2 LYS 39 lone 0 36 - 1 - HG3 LYS 22 - HE3 LYS 39 lone 0 36 - 1 - HB3 LYS 58 - HE3 LYS 39 lone 0 28 - 1 - HB3 LYS 58 - HE2 LYS 39 lone 0 28 - 1 - HB3 ARG 61 - HE2 LYS 39 lone 0 34 - 0 - HB3 ARG 61 - HE3 LYS 39 lone 0 34 - 0 - Peak 2469 from cnoeabs.peaks (2.98, 2.98, 42.17 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: HE2 LYS 49 + HE2 LYS 49 OK 100 100 - 100 HE3 LYS 49 + HE3 LYS 49 OK 100 100 - 100 HE2 LYS 60 + HE2 LYS 60 OK 100 100 - 100 HE3 LYS 60 + HE3 LYS 60 OK 99 99 - 100 HE2 LYS 62 + HE2 LYS 62 OK 98 98 - 100 HE3 LYS 62 + HE3 LYS 62 OK 94 94 - 100 HE3 LYS 39 + HE3 LYS 39 OK 58 58 - 100 HE2 LYS 39 + HE2 LYS 39 OK 58 58 - 100 Reference assignment not found: HE2 LYS 49 - HE3 LYS 49 Peak 2470 from cnoeabs.peaks (2.98, 2.98, 42.17 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: HE2 LYS 49 + HE2 LYS 49 OK 100 100 - 100 * HE3 LYS 49 + HE3 LYS 49 OK 100 100 - 100 HE2 LYS 60 + HE2 LYS 60 OK 100 100 - 100 HE3 LYS 60 + HE3 LYS 60 OK 99 99 - 100 HE2 LYS 62 + HE2 LYS 62 OK 98 98 - 100 HE3 LYS 62 + HE3 LYS 62 OK 94 94 - 100 HE3 LYS 39 + HE3 LYS 39 OK 58 58 - 100 HE2 LYS 39 + HE2 LYS 39 OK 58 58 - 100 Peak 2471 from cnoeabs.peaks (8.69, 3.77, 64.05 ppm; 3.68 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 50 + HA ILE 50 OK 100 100 - 100 - 3.0=100 Peak 2472 from cnoeabs.peaks (3.77, 3.77, 64.05 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ILE 50 + HA ILE 50 OK 100 100 - 100 Peak 2473 from cnoeabs.peaks (1.94, 3.77, 64.05 ppm; 3.61 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 50 + HA ILE 50 OK 100 100 - 100 - 3.0=100 Peak 2474 from cnoeabs.peaks (0.91, 3.77, 64.05 ppm; 3.14 A): 1 out of 3 assignments used, quality = 0.99: * QG2 ILE 50 + HA ILE 50 OK 99 100 - 99 - 3.2=95, 3.2/2475=20...(22) QD2 LEU 37 - HA ILE 50 OK 22 100 - 21 - 728/3.0=3, 245/3.6=3...(7) QD1 LEU 64 - HA ILE 50 lone 3 99 - 3 - Peak 2475 from cnoeabs.peaks (1.29, 3.77, 64.05 ppm; 3.44 A): 1 out of 3 assignments used, quality = 0.96: * HG12 ILE 50 + HA ILE 50 OK 96 100 - 96 - 4.0=62, 2.1/2477=27...(19) QG2 THR 44 - HA ILE 50 lone 2 99 - 2 - QG2 THR 59 - HA ILE 50 lone 2 100 - 2 - Peak 2476 from cnoeabs.peaks (1.69, 3.77, 64.05 ppm; 3.63 A): 3 out of 14 assignments used, quality = 0.99: * HG13 ILE 50 + HA ILE 50 OK 98 100 - 98 - 4.0=73, 1.8/2475=37...(15) HD3 LYS 49 + HA ILE 50 OK 47 97 - 48 - 2500=8, ~237=7...(12) HD2 LYS 49 + HA ILE 50 OK 46 97 - 48 - 2500=7, ~237=7...(12) HG3 LYS 22 - HA ILE 50 OK 28 93 - 30 - 4154/3.2=5, 2.9/4600=5...(10) HG2 LYS 22 - HA ILE 50 OK 22 78 - 28 - 2.9/4600=5, 4152/3.2=4...(10) HB2 LEU 37 - HA ILE 50 OK 14 63 - 23 - 3.1/2474=5, 1.8/3743=4...(9) HD2 LYS 39 - HA ILE 50 lone 9 100 - 9 - 2500=1, 730/3.0=1, 1.8/2500=1 HD3 LYS 39 - HA ILE 50 lone 9 100 - 9 - 2500=1, 730/3.0=1, 1.8/2500=1 HD2 LYS 42 - HA ILE 50 lone 3 63 - 5 - 3.8/3804=3 HB2 ARG 56 - HA ILE 50 lone 2 60 - 4 - 3826/4649=1 HD2 LYS 60 - HA ILE 50 lone 1 83 - 1 - HD3 LYS 60 - HA ILE 50 lone 1 78 - 1 - HD2 LYS 62 - HA ILE 50 lone 1 78 - 1 - HD3 LYS 62 - HA ILE 50 lone 1 76 - 1 - Peak 2477 from cnoeabs.peaks (0.80, 3.77, 64.05 ppm; 3.63 A): 1 out of 2 assignments used, quality = 0.97: * QD1 ILE 50 + HA ILE 50 OK 97 100 - 97 - 4.2=67, 2.1/2475=35...(18) QG2 ILE 17 - HA ILE 50 OK 12 98 - 12 - 731/3.0=3, 248/3.6=2...(4) Peak 2478 from cnoeabs.peaks (8.69, 1.94, 37.64 ppm; 3.30 A): 1 out of 1 assignment used, quality = 0.91: * H ILE 50 + HB ILE 50 OK 91 100 - 91 - 3.9=59, 2492/3.0=22...(15) Peak 2479 from cnoeabs.peaks (3.77, 1.94, 37.64 ppm; 3.81 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 50 + HB ILE 50 OK 100 100 - 100 - 3.0=100 Peak 2480 from cnoeabs.peaks (1.94, 1.94, 37.64 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 50 + HB ILE 50 OK 100 100 - 100 Peak 2481 from cnoeabs.peaks (0.91, 1.94, 37.64 ppm; 2.96 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 50 + HB ILE 50 OK 100 100 - 100 - 2.1=100 Peak 2482 from cnoeabs.peaks (1.29, 1.94, 37.64 ppm; 3.70 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 50 + HB ILE 50 OK 100 100 - 100 - 3.0=100 Peak 2483 from cnoeabs.peaks (1.69, 1.94, 37.64 ppm; 3.51 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 50 + HB ILE 50 OK 100 100 - 100 - 3.0=100 Peak 2484 from cnoeabs.peaks (0.80, 1.94, 37.64 ppm; 3.49 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 50 + HB ILE 50 OK 100 100 - 100 - 3.2=100 Peak 2485 from cnoeabs.peaks (8.69, 0.91, 17.21 ppm; 4.32 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 50 + QG2 ILE 50 OK 100 100 - 100 - 4.0=100 Peak 2486 from cnoeabs.peaks (3.77, 0.91, 17.21 ppm; 3.54 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 50 + QG2 ILE 50 OK 100 100 - 100 - 3.2=100 Peak 2487 from cnoeabs.peaks (1.94, 0.91, 17.21 ppm; 3.15 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 50 + QG2 ILE 50 OK 100 100 - 100 - 2.1=100 Peak 2488 from cnoeabs.peaks (0.91, 0.91, 17.21 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 50 + QG2 ILE 50 OK 100 100 - 100 Peak 2489 from cnoeabs.peaks (1.29, 0.91, 17.21 ppm; 3.54 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 50 + QG2 ILE 50 OK 100 100 - 100 - 3.2=100 Peak 2490 from cnoeabs.peaks (1.69, 0.91, 17.21 ppm; 3.73 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 50 + QG2 ILE 50 OK 100 100 - 100 - 3.2=100 Peak 2491 from cnoeabs.peaks (0.80, 0.91, 17.21 ppm; 2.98 A): 1 out of 2 assignments used, quality = 0.91: * QD1 ILE 50 + QG2 ILE 50 OK 91 100 - 91 - 3.2=81, 2477/3.2=15...(12) QG2 ILE 17 - QG2 ILE 50 lone 6 98 - 6 - 2477/3.2=2, 731/4.0=1, 248/4.3=1 Peak 2492 from cnoeabs.peaks (8.69, 1.29, 29.13 ppm; 3.78 A): 1 out of 1 assignment used, quality = 0.95: * H ILE 50 + HG12 ILE 50 OK 95 100 - 95 - 729=48, 2478/3.0=33...(13) Peak 2493 from cnoeabs.peaks (3.77, 1.29, 29.13 ppm; 3.60 A): 1 out of 7 assignments used, quality = 0.97: * HA ILE 50 + HG12 ILE 50 OK 97 100 - 97 - 4.0=71, 2477/2.1=30...(19) HA PHE 52 - HG12 ILE 50 lone 5 89 - 5 - 2507/2.1=3 HA ARG 34 - HG12 ILE 50 lone 3 90 - 3 - HD3 PRO 32 - HG12 ILE 50 lone 2 68 - 3 - HA GLN 15 - HG12 ILE 50 lone 2 83 - 2 - HA3 GLY 69 - HG12 ILE 50 lone 1 65 - 2 - HA2 GLY 69 - HG12 ILE 50 lone 1 63 - 2 - Peak 2494 from cnoeabs.peaks (1.94, 1.29, 29.13 ppm; 3.73 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 50 + HG12 ILE 50 OK 100 100 - 100 - 3.0=100 Peak 2495 from cnoeabs.peaks (0.91, 1.29, 29.13 ppm; 3.38 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 50 + HG12 ILE 50 OK 100 100 - 100 - 3.2=100 Peak 2496 from cnoeabs.peaks (1.29, 1.29, 29.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 50 + HG12 ILE 50 OK 100 100 - 100 Peak 2497 from cnoeabs.peaks (1.69, 1.29, 29.13 ppm; 2.60 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 50 + HG12 ILE 50 OK 100 100 - 100 - 1.8=100 Peak 2498 from cnoeabs.peaks (0.80, 1.29, 29.13 ppm; 3.09 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 50 + HG12 ILE 50 OK 100 100 - 100 - 2.1=100 Peak 2499 from cnoeabs.peaks (8.69, 1.69, 29.13 ppm; 3.63 A): 3 out of 5 assignments used, quality = 0.99: * H ILE 50 + HG13 ILE 50 OK 94 100 - 94 - 4.9=40, 2492/1.8=34...(18) H ILE 50 + HD3 LYS 49 OK 51 73 - 70 - 3534/3.7=21, 3535/3.7=19...(13) H ILE 50 + HD2 LYS 49 OK 49 71 - 70 - 3534/3.7=21, 3535/3.7=19...(13) H ILE 50 - HD2 LYS 39 poor 10 66 - 14 - 730=2, 239/1.8=2...(6) H ILE 50 - HD3 LYS 39 poor 10 66 - 14 - 730=2, 239/1.8=2...(6) Peak 2500 from cnoeabs.peaks (3.77, 1.69, 29.13 ppm; 3.70 A): 1 out of 35 assignments used, quality = 0.98: * HA ILE 50 + HG13 ILE 50 OK 98 100 - 98 - 4.0=77, 2475/1.8=38...(15) HA ILE 50 - HD3 LYS 49 OK 36 73 - 50 - 2476=8, ~237=8...(12) HA ILE 50 - HD2 LYS 49 OK 35 71 - 50 - 2476=8, ~237=8...(12) HA ILE 50 - HD2 LYS 39 lone 7 66 - 10 - 2476=2, 3.0/730=1, 2476/1.8=1 HA ILE 50 - HD3 LYS 39 lone 7 66 - 10 - 2476=2, 3.0/730=1, 2476/1.8=1 HA PHE 52 - HG13 ILE 50 lone 6 89 - 7 - 2507/2.1=3, 2493/1.8=2 HA ARG 34 - HG13 ILE 50 lone 4 90 - 5 - 2507/2.1=1 HA ARG 34 - HD3 LYS 49 lone 3 60 - 5 - HD3 PRO 32 - HG13 ILE 50 lone 3 68 - 4 - HD3 PRO 32 - HD3 LYS 49 lone 3 43 - 6 - ~4289=2, ~4298=1, ~4297=1 HD3 PRO 32 - HD2 LYS 49 lone 3 41 - 6 - ~4289=2, ~4298=1, ~4297=1 HA ARG 34 - HD2 LYS 49 lone 3 58 - 4 - HA GLN 15 - HG13 ILE 50 lone 2 83 - 3 - HA3 GLY 69 - HG13 ILE 50 lone 1 65 - 2 - HA2 GLY 69 - HG13 ILE 50 lone 1 63 - 2 - HA ARG 34 - HD3 LYS 39 lone 1 54 - 2 - HA ARG 34 - HD2 LYS 39 lone 1 54 - 2 - HD3 PRO 32 - HD3 LYS 39 lone 1 38 - 2 - HD3 PRO 32 - HD2 LYS 39 lone 1 38 - 2 - HA PHE 52 - HD3 LYS 39 lone 1 53 - 1 - HA PHE 52 - HD2 LYS 39 lone 1 53 - 1 - HA PHE 52 - HD3 LYS 49 lone 1 59 - 1 - HA PHE 52 - HD2 LYS 49 lone 0 57 - 1 - HA GLN 15 - HD3 LYS 49 lone 0 54 - 1 - HA GLN 15 - HD2 LYS 49 lone 0 52 - 1 - HA GLN 15 - HD2 LYS 39 lone 0 48 - 1 - HA GLN 15 - HD3 LYS 39 lone 0 48 - 1 - HA3 GLY 69 - HD3 LYS 49 lone 0 41 - 1 - HA3 GLY 69 - HD2 LYS 49 lone 0 39 - 1 - HA2 GLY 69 - HD3 LYS 49 lone 0 39 - 1 - HA2 GLY 69 - HD2 LYS 49 lone 0 37 - 1 - HA3 GLY 69 - HD3 LYS 39 lone 0 36 - 1 - HA3 GLY 69 - HD2 LYS 39 lone 0 36 - 1 - HA2 GLY 69 - HD2 LYS 39 lone 0 34 - 1 - HA2 GLY 69 - HD3 LYS 39 lone 0 34 - 1 - Peak 2501 from cnoeabs.peaks (1.94, 1.69, 29.13 ppm; 3.06 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 50 + HG13 ILE 50 OK 100 100 - 100 - 3.0=100 Peak 2502 from cnoeabs.peaks (0.91, 1.69, 29.13 ppm; 3.46 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 50 + HG13 ILE 50 OK 100 100 - 100 - 3.2=100 Peak 2503 from cnoeabs.peaks (1.29, 1.69, 29.13 ppm; 2.55 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 50 + HG13 ILE 50 OK 100 100 - 100 - 1.8=100 Peak 2504 from cnoeabs.peaks (1.69, 1.69, 29.13 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HG13 ILE 50 + HG13 ILE 50 OK 100 100 - 100 HD3 LYS 49 + HD3 LYS 49 OK 68 68 - 100 HD2 LYS 39 + HD2 LYS 39 OK 66 66 - 100 HD3 LYS 39 + HD3 LYS 39 OK 66 66 - 100 HD2 LYS 49 + HD2 LYS 49 OK 65 65 - 100 Peak 2505 from cnoeabs.peaks (0.80, 1.69, 29.13 ppm; 3.12 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 50 + HG13 ILE 50 OK 100 100 - 100 - 2.1=100 Peak 2506 from cnoeabs.peaks (8.69, 0.80, 12.55 ppm; 4.18 A): 1 out of 1 assignment used, quality = 0.98: * H ILE 50 + QD1 ILE 50 OK 98 100 - 98 - 4.9=62, 2492/2.1=40...(14) Peak 2507 from cnoeabs.peaks (3.77, 0.80, 12.55 ppm; 3.81 A): 1 out of 7 assignments used, quality = 0.98: * HA ILE 50 + QD1 ILE 50 OK 98 100 - 98 - 4.2=78, 2475/2.1=37...(18) HA PHE 52 - QD1 ILE 50 OK 13 89 - 14 - 5.6/4730=7, 3.6/4598=4...(4) HA ARG 34 - QD1 ILE 50 lone 4 90 - 4 - HD3 PRO 32 - QD1 ILE 50 lone 3 68 - 4 - HA GLN 15 - QD1 ILE 50 lone 3 83 - 3 - HA3 GLY 69 - QD1 ILE 50 lone 1 65 - 2 - HA2 GLY 69 - QD1 ILE 50 lone 1 63 - 2 - Peak 2508 from cnoeabs.peaks (1.94, 0.80, 12.55 ppm; 3.40 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 50 + QD1 ILE 50 OK 100 100 - 100 - 3.2=100 Peak 2509 from cnoeabs.peaks (0.91, 0.80, 12.55 ppm; 3.07 A): 1 out of 3 assignments used, quality = 0.95: * QG2 ILE 50 + QD1 ILE 50 OK 95 100 - 95 - 3.2=89, 3.2/2477=17...(12) QD2 LEU 37 - QD1 ILE 50 OK 13 100 - 13 - 2474/4.2=3, 4391/4730=2...(5) QD1 LEU 64 - QD1 ILE 50 lone 2 99 - 2 - Peak 2510 from cnoeabs.peaks (1.29, 0.80, 12.55 ppm; 2.96 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 50 + QD1 ILE 50 OK 100 100 - 100 - 2.1=100 Peak 2511 from cnoeabs.peaks (1.69, 0.80, 12.55 ppm; 3.03 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 50 + QD1 ILE 50 OK 100 100 - 100 - 2.1=100 Peak 2512 from cnoeabs.peaks (0.80, 0.80, 12.55 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 50 + QD1 ILE 50 OK 100 100 - 100 Peak 2513 from cnoeabs.peaks (8.27, 4.02, 63.12 ppm; 3.82 A): 1 out of 1 assignment used, quality = 1.00: * H TRP 51 + HA TRP 51 OK 100 100 - 100 - 2.9=100 Peak 2514 from cnoeabs.peaks (4.02, 4.02, 63.12 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA TRP 51 + HA TRP 51 OK 100 100 - 100 Peak 2515 from cnoeabs.peaks (3.50, 4.02, 63.12 ppm; 3.84 A): 1 out of 1 assignment used, quality = 1.00: * HB2 TRP 51 + HA TRP 51 OK 100 100 - 100 - 3.0=100 Peak 2516 from cnoeabs.peaks (3.29, 4.02, 63.12 ppm; 3.58 A): 1 out of 1 assignment used, quality = 1.00: * HB3 TRP 51 + HA TRP 51 OK 100 100 - 100 - 3.0=100 Peak 2517 from cnoeabs.peaks (7.14, 4.02, 63.12 ppm; 4.41 A): 1 out of 4 assignments used, quality = 0.99: * HD1 TRP 51 + HA TRP 51 OK 99 100 - 99 - 4.5=96, 4574/3.0=37...(5) QD TYR 57 - HA TRP 51 lone 7 100 - 7 - 4714/3812=4, 736/2.9=2 QD TYR 28 - HA TRP 51 lone 2 93 - 3 - HD2 HIS 13 - HA TRP 51 lone 2 83 - 2 - Peak 2523 from cnoeabs.peaks (8.27, 3.50, 29.17 ppm; 3.79 A): 2 out of 3 assignments used, quality = 0.95: * H TRP 51 + HB2 TRP 51 OK 94 100 - 94 - 4.1=82, 2533/1.8=33...(7) H ASN 54 + HB2 TRP 51 OK 12 60 - 21 - 1047/3.0=8, 1046/4.3=6...(4) H SER 66 - HB2 TRP 51 lone 5 92 - 6 - 2533/1.8=2, 249/4.3=1 Peak 2524 from cnoeabs.peaks (4.02, 3.50, 29.17 ppm; 3.99 A): 1 out of 1 assignment used, quality = 1.00: * HA TRP 51 + HB2 TRP 51 OK 100 100 - 100 - 3.0=100 Peak 2525 from cnoeabs.peaks (3.50, 3.50, 29.17 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 TRP 51 + HB2 TRP 51 OK 100 100 - 100 Peak 2526 from cnoeabs.peaks (3.29, 3.50, 29.17 ppm; 3.07 A): 1 out of 1 assignment used, quality = 1.00: * HB3 TRP 51 + HB2 TRP 51 OK 100 100 - 100 - 1.8=100 Peak 2527 from cnoeabs.peaks (7.14, 3.50, 29.17 ppm; 4.73 A): 1 out of 1 assignment used, quality = 1.00: * HD1 TRP 51 + HB2 TRP 51 OK 100 100 - 100 - 3.9=100 Peak 2528 from cnoeabs.peaks (6.97, 3.50, 29.17 ppm; 4.63 A): 1 out of 1 assignment used, quality = 1.00: * HE3 TRP 51 + HB2 TRP 51 OK 100 100 - 100 - 4.2=100 Peak 2533 from cnoeabs.peaks (8.27, 3.29, 29.17 ppm; 3.65 A): 2 out of 3 assignments used, quality = 0.92: * H TRP 51 + HB3 TRP 51 OK 91 100 - 91 - 4.1=73, 734/1.8=32...(10) H ASN 54 + HB3 TRP 51 OK 13 60 - 21 - 1047/3.0=7, 1046/4.3=5...(4) H SER 66 - HB3 TRP 51 lone 5 92 - 6 - 2523/1.8=2, 249/4.3=1 Peak 2534 from cnoeabs.peaks (4.02, 3.29, 29.17 ppm; 3.78 A): 1 out of 1 assignment used, quality = 1.00: * HA TRP 51 + HB3 TRP 51 OK 100 100 - 100 - 3.0=100 Peak 2535 from cnoeabs.peaks (3.50, 3.29, 29.17 ppm; 3.06 A): 1 out of 1 assignment used, quality = 1.00: * HB2 TRP 51 + HB3 TRP 51 OK 100 100 - 100 - 1.8=100 Peak 2536 from cnoeabs.peaks (3.29, 3.29, 29.17 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 TRP 51 + HB3 TRP 51 OK 100 100 - 100 Peak 2537 from cnoeabs.peaks (7.14, 3.29, 29.17 ppm; 4.19 A): 1 out of 1 assignment used, quality = 1.00: * HD1 TRP 51 + HB3 TRP 51 OK 100 100 - 100 - 3.9=100 Peak 2538 from cnoeabs.peaks (6.97, 3.29, 29.17 ppm; 4.80 A): 1 out of 1 assignment used, quality = 1.00: * HE3 TRP 51 + HB3 TRP 51 OK 100 100 - 100 - 4.2=100 Peak 2544 from cnoeabs.peaks (4.02, 7.14, 127.21 ppm; 4.96 A): 1 out of 1 assignment used, quality = 0.99: * HA TRP 51 + HD1 TRP 51 OK 99 99 - 100 - 4.5=100 Peak 2545 from cnoeabs.peaks (3.50, 7.14, 127.21 ppm; 5.09 A): 1 out of 1 assignment used, quality = 0.99: * HB2 TRP 51 + HD1 TRP 51 OK 99 99 - 100 - 3.9=100 Peak 2546 from cnoeabs.peaks (3.29, 7.14, 127.21 ppm; 4.40 A): 1 out of 1 assignment used, quality = 0.99: * HB3 TRP 51 + HD1 TRP 51 OK 99 99 - 100 - 3.9=100 Peak 2547 from cnoeabs.peaks (7.14, 7.14, 127.21 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: * HD1 TRP 51 + HD1 TRP 51 OK 99 99 - 100 Peak 2549 from cnoeabs.peaks (9.95, 7.14, 127.21 ppm; 3.71 A): 1 out of 1 assignment used, quality = 0.99: * HE1 TRP 51 + HD1 TRP 51 OK 99 99 - 100 - 2.6=100 Peak 2555 from cnoeabs.peaks (3.50, 6.97, 121.43 ppm; 5.32 A): 1 out of 1 assignment used, quality = 0.89: * HB2 TRP 51 + HE3 TRP 51 OK 89 89 - 100 - 4.2=100 Peak 2558 from cnoeabs.peaks (6.97, 6.97, 121.43 ppm; diagonal): 1 out of 1 assignment used, quality = 0.89: * HE3 TRP 51 + HE3 TRP 51 OK 89 89 - 100 Peak 2560 from cnoeabs.peaks (5.72, 6.97, 121.43 ppm; 5.30 A): 1 out of 1 assignment used, quality = 0.89: * HZ3 TRP 51 + HE3 TRP 51 OK 89 89 - 100 - 2.5=100 Peak 2570 from cnoeabs.peaks (5.72, 5.72, 121.10 ppm; diagonal): 1 out of 1 assignment used, quality = 0.88: * HZ3 TRP 51 + HZ3 TRP 51 OK 88 88 - 100 Peak 2579 from cnoeabs.peaks (9.95, 7.25, 114.23 ppm; 4.02 A): 1 out of 1 assignment used, quality = 0.98: * HE1 TRP 51 + HZ2 TRP 51 OK 98 98 - 100 - 2.8=100 Peak 2581 from cnoeabs.peaks (7.25, 7.25, 114.23 ppm; diagonal): 1 out of 1 assignment used, quality = 0.98: * HZ2 TRP 51 + HZ2 TRP 51 OK 98 98 - 100 Peak 2582 from cnoeabs.peaks (6.44, 7.25, 114.23 ppm; 3.91 A): 1 out of 1 assignment used, quality = 0.98: * HH2 TRP 51 + HZ2 TRP 51 OK 98 98 - 100 - 2.5=100 Peak 2590 from cnoeabs.peaks (5.72, 6.44, 123.75 ppm; 4.88 A): 1 out of 1 assignment used, quality = 0.86: * HZ3 TRP 51 + HH2 TRP 51 OK 86 86 - 100 - 2.4=100 Peak 2591 from cnoeabs.peaks (7.25, 6.44, 123.75 ppm; 4.23 A): 1 out of 1 assignment used, quality = 0.86: * HZ2 TRP 51 + HH2 TRP 51 OK 86 86 - 100 - 2.5=100 Peak 2592 from cnoeabs.peaks (6.44, 6.44, 123.75 ppm; diagonal): 1 out of 1 assignment used, quality = 0.86: * HH2 TRP 51 + HH2 TRP 51 OK 86 86 - 100 Peak 2593 from cnoeabs.peaks (8.94, 3.76, 63.31 ppm; 4.10 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 52 + HA PHE 52 OK 100 100 - 100 - 2.9=100 Peak 2594 from cnoeabs.peaks (3.76, 3.76, 63.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PHE 52 + HA PHE 52 OK 100 100 - 100 Peak 2595 from cnoeabs.peaks (3.27, 3.76, 63.31 ppm; 3.86 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 52 + HA PHE 52 OK 100 100 - 100 - 3.0=100 Peak 2596 from cnoeabs.peaks (3.53, 3.76, 63.31 ppm; 3.68 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 52 + HA PHE 52 OK 100 100 - 100 - 3.0=100 Peak 2598 from cnoeabs.peaks (7.75, 3.76, 63.31 ppm; 3.98 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 52 + HA PHE 52 OK 100 100 - 100 - 3.7=100 Peak 2599 from cnoeabs.peaks (8.94, 3.27, 39.64 ppm; 4.08 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 52 + HB2 PHE 52 OK 100 100 - 100 - 4.1=100 Peak 2600 from cnoeabs.peaks (3.76, 3.27, 39.64 ppm; 3.95 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 52 + HB2 PHE 52 OK 100 100 - 100 - 3.0=100 Peak 2601 from cnoeabs.peaks (3.27, 3.27, 39.64 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 52 + HB2 PHE 52 OK 100 100 - 100 Peak 2602 from cnoeabs.peaks (3.53, 3.27, 39.64 ppm; 3.05 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 52 + HB2 PHE 52 OK 100 100 - 100 - 1.8=100 Peak 2603 from cnoeabs.peaks (7.53, 3.27, 39.64 ppm; 4.77 A): 1 out of 1 assignment used, quality = 1.00: * QE PHE 52 + HB2 PHE 52 OK 100 100 - 100 - 4.4=100 Peak 2604 from cnoeabs.peaks (7.75, 3.27, 39.64 ppm; 3.67 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 52 + HB2 PHE 52 OK 100 100 - 100 - 2.5=100 Peak 2605 from cnoeabs.peaks (8.94, 3.53, 39.64 ppm; 3.89 A): 1 out of 1 assignment used, quality = 0.96: * H PHE 52 + HB3 PHE 52 OK 96 100 - 96 - 4.1=88, 747/2.5=29...(8) Peak 2606 from cnoeabs.peaks (3.76, 3.53, 39.64 ppm; 4.12 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 52 + HB3 PHE 52 OK 100 100 - 100 - 3.0=100 Peak 2607 from cnoeabs.peaks (3.27, 3.53, 39.64 ppm; 3.13 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 52 + HB3 PHE 52 OK 100 100 - 100 - 1.8=100 Peak 2608 from cnoeabs.peaks (3.53, 3.53, 39.64 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 52 + HB3 PHE 52 OK 100 100 - 100 Peak 2610 from cnoeabs.peaks (7.75, 3.53, 39.64 ppm; 3.90 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 52 + HB3 PHE 52 OK 100 100 - 100 - 2.5=100 Peak 2615 from cnoeabs.peaks (7.53, 7.53, 132.28 ppm; diagonal): 0 out of 0 assignments used, low quality = 0.00: Reference assignment not found: QE PHE 52 - QE PHE 52 Peak 2616 from cnoeabs.peaks (7.75, 7.53, 132.28 ppm; 4.26 A): 0 out of 0 assignments used, low quality = 0.00: Reference assignment not found: QD PHE 52 - QE PHE 52 Peak 2619 from cnoeabs.peaks (3.27, 7.75, 131.98 ppm; 4.95 A): 0 out of 0 assignments used, low quality = 0.00: Reference assignment not found: HB2 PHE 52 - QD PHE 52 Peak 2621 from cnoeabs.peaks (7.53, 7.75, 131.98 ppm; 3.98 A): 0 out of 0 assignments used, low quality = 0.00: Reference assignment not found: QE PHE 52 - QD PHE 52 Peak 2622 from cnoeabs.peaks (7.75, 7.75, 131.98 ppm; diagonal): 0 out of 0 assignments used, low quality = 0.00: Reference assignment not found: QD PHE 52 - QD PHE 52 Peak 2623 from cnoeabs.peaks (8.03, 3.94, 59.15 ppm; 3.56 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 53 + HA GLN 53 OK 100 100 - 100 - 2.9=100 Peak 2624 from cnoeabs.peaks (3.94, 3.94, 59.15 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLN 53 + HA GLN 53 OK 100 100 - 100 Peak 2625 from cnoeabs.peaks (2.15, 3.94, 59.15 ppm; 3.50 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 53 + HA GLN 53 OK 100 100 - 100 - 3.0=100 Peak 2626 from cnoeabs.peaks (2.22, 3.94, 59.15 ppm; 3.36 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 53 + HA GLN 53 OK 100 100 - 100 - 3.0=100 Peak 2627 from cnoeabs.peaks (2.44, 3.94, 59.15 ppm; 3.91 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 53 + HA GLN 53 OK 100 100 - 100 - 3.7=100 Peak 2628 from cnoeabs.peaks (2.37, 3.94, 59.15 ppm; 3.91 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 53 + HA GLN 53 OK 100 100 - 100 - 3.7=100 Peak 2631 from cnoeabs.peaks (8.03, 2.15, 28.54 ppm; 3.62 A): 1 out of 18 assignments used, quality = 0.90: * H GLN 53 + HB2 GLN 53 OK 90 100 - 90 - 4.0=72, 751/1.8=35...(8) H LEU 41 - HB3 LYS 42 OK 18 58 - 30 - 891/4.0=13, 4441/3.0=7...(4) H LYS 22 - HB2 GLU 20 OK 16 47 - 35 - 58/4.1=14, 958/3.0=10...(4) H ILE 17 - HB2 GLU 20 OK 16 28 - 56 - 3.0/3686=17, ~3689=13...(9) H LYS 22 - HB2 GLN 53 OK 16 100 - 16 - 2639/1.8=4, 2647/3.0=3...(6) H GLN 47 - HB2 GLN 53 OK 11 87 - 13 - 4541=3, 2639/1.8=2...(6) H GLN 47 - HB3 LYS 42 OK 11 68 - 16 - 4541=4, 4467/3.0=3...(6) H GLN 53 - HB2 GLU 20 OK 11 47 - 23 - 750=6, 752/3.0=3...(8) H LYS 22 - HB3 LYS 42 OK 10 84 - 12 - 4467/3.0=3, 4.6/54=2...(4) H ILE 17 - HB2 GLN 53 lone 7 73 - 10 - 3.0/3686=3, 2639/1.8=2...(4) H ASN 40 - HB3 LYS 42 lone 6 71 - 9 - 4467/3.0=2, 4419/2.9=1 H GLN 53 - HB3 LYS 42 lone 6 85 - 7 - 750=2 H ASN 40 - HB2 GLN 53 lone 5 90 - 6 - 2639/1.8=1 H LEU 41 - HB2 GLN 53 lone 4 76 - 6 - 175/4.0=1, 2639/1.8=1 H GLN 47 - HB2 GLU 20 lone 3 36 - 7 - 4541=2, 873/4.1=1 H ASN 40 - HB2 GLU 20 lone 2 38 - 5 - 1004/4.0=2, 873/4.1=2 H ILE 17 - HB3 LYS 42 lone 2 56 - 3 - H LEU 41 - HB2 GLU 20 lone 1 30 - 5 - 4434/4.1=2, 952/4.0=1 Peak 2632 from cnoeabs.peaks (3.94, 2.15, 28.54 ppm; 3.73 A): 1 out of 1 assignment used, quality = 1.00: * HA GLN 53 + HB2 GLN 53 OK 100 100 - 100 - 3.0=100 Peak 2633 from cnoeabs.peaks (2.15, 2.15, 28.54 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * HB2 GLN 53 + HB2 GLN 53 OK 100 100 - 100 HB3 LYS 42 + HB3 LYS 42 OK 85 85 - 100 HB2 GLU 20 - HB2 GLU 20 OK 40 40 - 100 Peak 2634 from cnoeabs.peaks (2.22, 2.15, 28.54 ppm; 2.41 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 53 + HB2 GLN 53 OK 100 100 - 100 - 1.8=100 Peak 2635 from cnoeabs.peaks (2.44, 2.15, 28.54 ppm; 3.89 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLN 53 + HB2 GLN 53 OK 100 100 - 100 - 3.0=100 HG3 GLU 20 - HB2 GLU 20 OK 39 39 - 100 - 3.0=100 HG2 GLU 20 - HB2 GLU 20 OK 27 27 - 100 - 3.0=100 Peak 2636 from cnoeabs.peaks (2.37, 2.15, 28.54 ppm; 3.34 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 53 + HB2 GLN 53 OK 100 100 - 100 - 3.0=100 Peak 2639 from cnoeabs.peaks (8.03, 2.22, 28.54 ppm; 3.63 A): 2 out of 6 assignments used, quality = 0.91: * H GLN 53 + HB3 GLN 53 OK 90 100 - 90 - 4.0=73, 750/1.8=30...(7) H LYS 22 + HB3 GLN 53 OK 13 100 - 13 - 2647/3.0=3, 556/3.0=2...(6) H GLN 47 - HB3 GLN 53 lone 8 87 - 10 - 4541/1.8=3, 3803/3806=2...(5) H ILE 17 - HB3 GLN 53 lone 7 73 - 9 - ~3686=2, 2647/3.0=2...(5) H ASN 40 - HB3 GLN 53 lone 5 90 - 5 - H LEU 41 - HB3 GLN 53 lone 4 76 - 5 - 175/4.0=1 Peak 2640 from cnoeabs.peaks (3.94, 2.22, 28.54 ppm; 3.84 A): 1 out of 1 assignment used, quality = 1.00: * HA GLN 53 + HB3 GLN 53 OK 100 100 - 100 - 3.0=100 Peak 2641 from cnoeabs.peaks (2.15, 2.22, 28.54 ppm; 2.52 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 53 + HB3 GLN 53 OK 100 100 - 100 - 1.8=100 Peak 2642 from cnoeabs.peaks (2.22, 2.22, 28.54 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 53 + HB3 GLN 53 OK 100 100 - 100 Peak 2643 from cnoeabs.peaks (2.44, 2.22, 28.54 ppm; 4.25 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 53 + HB3 GLN 53 OK 100 100 - 100 - 3.0=100 Peak 2644 from cnoeabs.peaks (2.37, 2.22, 28.54 ppm; 3.44 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 53 + HB3 GLN 53 OK 100 100 - 100 - 3.0=100 Peak 2647 from cnoeabs.peaks (8.03, 2.44, 33.72 ppm; 4.44 A): 4 out of 6 assignments used, quality = 0.95: * H GLN 53 + HG2 GLN 53 OK 92 100 - 92 - 5.1=66, 751/3.0=35...(7) H LYS 22 + HG2 GLN 53 OK 18 100 - 18 - 556/1.8=4, 2639/3.0=4...(6) H ILE 17 + HG2 GLN 53 OK 10 73 - 14 - 2639/3.0=2, 2655/1.8=2...(6) H GLN 47 + HG2 GLN 53 OK 10 87 - 12 - 4541/3.0=4, 2639/3.0=2...(4) H ASN 40 - HG2 GLN 53 lone 6 90 - 6 - 2639/3.0=2, 2655/1.8=1 H LEU 41 - HG2 GLN 53 lone 5 76 - 6 - 175/5.1=1, 2639/3.0=1 Peak 2648 from cnoeabs.peaks (3.94, 2.44, 33.72 ppm; 4.22 A): 1 out of 1 assignment used, quality = 1.00: * HA GLN 53 + HG2 GLN 53 OK 100 100 - 100 - 3.7=100 Peak 2649 from cnoeabs.peaks (2.15, 2.44, 33.72 ppm; 3.46 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 53 + HG2 GLN 53 OK 100 100 - 100 - 3.0=100 Peak 2650 from cnoeabs.peaks (2.22, 2.44, 33.72 ppm; 3.26 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 53 + HG2 GLN 53 OK 100 100 - 100 - 3.0=100 Peak 2651 from cnoeabs.peaks (2.44, 2.44, 33.72 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 53 + HG2 GLN 53 OK 100 100 - 100 Peak 2652 from cnoeabs.peaks (2.37, 2.44, 33.72 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 53 + HG2 GLN 53 OK 100 100 - 100 - 1.8=100 Peak 2653 from cnoeabs.peaks (6.93, 2.44, 33.72 ppm; 5.01 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 53 + HG2 GLN 53 OK 100 100 - 100 - 3.5=100 Peak 2654 from cnoeabs.peaks (7.50, 2.44, 33.72 ppm; 4.43 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 53 + HG2 GLN 53 OK 100 100 - 100 - 3.5=100 Peak 2655 from cnoeabs.peaks (8.03, 2.37, 33.72 ppm; 4.63 A): 1 out of 18 assignments used, quality = 0.95: * H GLN 53 + HG3 GLN 53 OK 95 100 - 95 - 5.1=75, 751/3.0=37...(6) H LYS 22 - HG3 GLN 53 OK 21 100 - 22 - 2647/1.8=5, 2639/3.0=4...(8) H GLN 47 - HG3 GLN 53 OK 11 87 - 13 - 4541/3.0=4, 2647/1.8=3...(4) H ILE 17 - HG3 GLN 53 OK 10 73 - 14 - 2647/1.8=3, 2639/3.0=2...(6) H GLN 53 - HG3 GLN 63 lone 8 96 - 8 - 753=2, 753/1.8=2, 1043/3.7=2 H GLN 53 - HG2 GLN 63 lone 8 92 - 8 - 753=2, 753/1.8=2, 1043/3.7=2 H ASN 40 - HG3 GLN 53 lone 7 90 - 7 - 2647/1.8=2, 2639/3.0=2 H LYS 22 - HG3 GLN 63 lone 6 95 - 6 - 556=1 H LEU 41 - HG3 GLN 53 lone 6 76 - 7 - 2647/1.8=2, 175/5.1=1 H LYS 22 - HG2 GLN 63 lone 5 91 - 6 - 556/1.8=1 H ILE 17 - HG3 GLN 63 lone 2 66 - 4 - 869/3.5=1 H ILE 17 - HG2 GLN 63 lone 2 62 - 4 - 869/3.5=1 H ASN 40 - HG3 GLN 63 lone 2 83 - 2 - H ASN 40 - HG2 GLN 63 lone 2 78 - 2 - H GLN 47 - HG3 GLN 63 lone 1 79 - 2 - H GLN 47 - HG2 GLN 63 lone 1 75 - 2 - H LEU 41 - HG3 GLN 63 lone 1 68 - 2 - H LEU 41 - HG2 GLN 63 lone 1 64 - 2 - Peak 2656 from cnoeabs.peaks (3.94, 2.37, 33.72 ppm; 4.75 A): 1 out of 1 assignment used, quality = 1.00: * HA GLN 53 + HG3 GLN 53 OK 100 100 - 100 - 3.7=100 Peak 2657 from cnoeabs.peaks (2.15, 2.37, 33.72 ppm; 3.58 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 53 + HG3 GLN 53 OK 100 100 - 100 - 3.0=100 Peak 2658 from cnoeabs.peaks (2.22, 2.37, 33.72 ppm; 3.21 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 53 + HG3 GLN 53 OK 100 100 - 100 - 3.0=100 Peak 2659 from cnoeabs.peaks (2.44, 2.37, 33.72 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 53 + HG3 GLN 53 OK 100 100 - 100 - 1.8=100 Peak 2660 from cnoeabs.peaks (2.37, 2.37, 33.72 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG3 GLN 53 + HG3 GLN 53 OK 100 100 - 100 HG3 GLN 63 + HG3 GLN 63 OK 93 93 - 100 HG2 GLN 63 + HG2 GLN 63 OK 87 87 - 100 Peak 2661 from cnoeabs.peaks (6.93, 2.37, 33.72 ppm; 5.21 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 53 + HG3 GLN 53 OK 100 100 - 100 - 3.5=100 Peak 2662 from cnoeabs.peaks (7.50, 2.37, 33.72 ppm; 4.40 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 53 + HG3 GLN 53 OK 100 100 - 100 - 3.5=100 Peak 2663 from cnoeabs.peaks (8.29, 4.36, 55.11 ppm; 3.69 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 54 + HA ASN 54 OK 100 100 - 100 - 3.0=100 Peak 2664 from cnoeabs.peaks (4.36, 4.36, 55.11 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * HA ASN 54 + HA ASN 54 OK 100 100 - 100 HA LEU 68 + HA LEU 68 OK 85 85 - 100 HA LEU 64 - HA LEU 64 OK 44 44 - 100 Peak 2665 from cnoeabs.peaks (2.48, 4.36, 55.11 ppm; 3.36 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 54 + HA ASN 54 OK 100 100 - 100 - 3.0=100 Peak 2666 from cnoeabs.peaks (2.65, 4.36, 55.11 ppm; 3.65 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 54 + HA ASN 54 OK 100 100 - 100 - 3.0=100 Peak 2667 from cnoeabs.peaks (7.49, 4.36, 55.11 ppm; 5.82 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 54 + HA ASN 54 OK 100 100 - 100 - 4.5=100 Peak 2669 from cnoeabs.peaks (8.29, 2.48, 37.68 ppm; 3.75 A): 2 out of 5 assignments used, quality = 0.95: * H ASN 54 + HB2 ASN 54 OK 92 100 - 92 - 4.1=79, 759/1.8=41...(7) H TRP 51 + HB2 ASN 54 OK 36 60 - 60 - 2.9/3812=18, ~3813=16...(10) H SER 66 - HB2 ASN 54 OK 10 93 - 11 - 2675/1.8=3, 758=3...(5) H ARG 21 - HB2 ASN 54 lone 8 89 - 9 - 56=2, 3.6/1322=1...(4) H LYS 62 - HB2 ASN 54 lone 3 99 - 3 - Peak 2670 from cnoeabs.peaks (4.36, 2.48, 37.68 ppm; 3.55 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 54 + HB2 ASN 54 OK 100 100 - 100 - 3.0=100 Peak 2671 from cnoeabs.peaks (2.48, 2.48, 37.68 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 54 + HB2 ASN 54 OK 100 100 - 100 Peak 2672 from cnoeabs.peaks (2.65, 2.48, 37.68 ppm; 2.69 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 54 + HB2 ASN 54 OK 100 100 - 100 - 1.8=100 Peak 2673 from cnoeabs.peaks (7.49, 2.48, 37.68 ppm; 4.10 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 54 + HB2 ASN 54 OK 100 100 - 100 - 3.4=100 Peak 2674 from cnoeabs.peaks (6.91, 2.48, 37.68 ppm; 4.64 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 54 + HB2 ASN 54 OK 100 100 - 100 - 3.4=100 Peak 2675 from cnoeabs.peaks (8.29, 2.65, 37.68 ppm; 3.47 A): 2 out of 5 assignments used, quality = 0.88: * H ASN 54 + HB3 ASN 54 OK 82 100 - 82 - 4.1=63, 758/1.8=28...(7) H TRP 51 + HB3 ASN 54 OK 31 60 - 52 - 2.9/3813=21, ~3812=10...(9) H SER 66 - HB3 ASN 54 lone 10 93 - 10 - 759=3, 2669/1.8=2...(5) H ARG 21 - HB3 ASN 54 lone 4 89 - 4 - 56/1.8=2 H LYS 62 - HB3 ASN 54 lone 3 99 - 3 - Peak 2676 from cnoeabs.peaks (4.36, 2.65, 37.68 ppm; 3.66 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 54 + HB3 ASN 54 OK 100 100 - 100 - 3.0=100 Peak 2677 from cnoeabs.peaks (2.48, 2.65, 37.68 ppm; 2.60 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 54 + HB3 ASN 54 OK 100 100 - 100 - 1.8=100 Peak 2678 from cnoeabs.peaks (2.65, 2.65, 37.68 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 54 + HB3 ASN 54 OK 100 100 - 100 Peak 2679 from cnoeabs.peaks (7.49, 2.65, 37.68 ppm; 3.86 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 54 + HB3 ASN 54 OK 100 100 - 100 - 3.4=100 Peak 2680 from cnoeabs.peaks (6.91, 2.65, 37.68 ppm; 4.36 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 54 + HB3 ASN 54 OK 100 100 - 100 - 3.4=100 Peak 2681 from cnoeabs.peaks (8.07, 3.43, 56.09 ppm; 4.13 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 55 + HA ARG 55 OK 100 100 - 100 - 3.0=100 Peak 2682 from cnoeabs.peaks (3.43, 3.43, 56.09 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ARG 55 + HA ARG 55 OK 100 100 - 100 Peak 2683 from cnoeabs.peaks (0.65, 3.43, 56.09 ppm; 4.53 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 55 + HA ARG 55 OK 100 100 - 100 - 3.0=100 Peak 2684 from cnoeabs.peaks (-0.28, 3.43, 56.09 ppm; 4.06 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ARG 55 + HA ARG 55 OK 100 100 - 100 - 3.0=100 Peak 2685 from cnoeabs.peaks (-0.28, 3.43, 56.09 ppm; 4.06 A): 1 out of 1 assignment used, quality = 1.00: HB3 ARG 55 + HA ARG 55 OK 100 100 - 100 - 3.0=100 Reference assignment not found: HG2 ARG 55 - HA ARG 55 Peak 2686 from cnoeabs.peaks (-0.44, 3.43, 56.09 ppm; 4.82 A): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 55 + HA ARG 55 OK 100 100 - 100 - 4.2=100 Peak 2688 from cnoeabs.peaks (1.97, 3.43, 56.09 ppm; 4.32 A): 1 out of 10 assignments used, quality = 0.84: * HD3 ARG 55 + HA ARG 55 OK 84 100 - 84 - 5.0=63, 1.8/2722=41...(5) HD3 LYS 22 - HA ARG 55 lone 4 97 - 4 - 1.8/3839=1, 3.0/3841=1 HB2 MET 11 - HA ARG 55 lone 3 71 - 4 - ~4725=1, ~4720=1 HG2 PRO 32 - HA ARG 55 lone 2 97 - 3 - HB2 GLU 18 - HA ARG 55 lone 2 73 - 2 - HB3 GLU 18 - HA ARG 55 lone 2 73 - 2 - HB3 ARG 21 - HA ARG 55 lone 1 100 - 1 - HB2 ARG 21 - HA ARG 55 lone 1 100 - 1 - HB3 GLU 67 - HA ARG 55 lone 1 96 - 1 - HB3 GLN 63 - HA ARG 55 lone 1 71 - 1 - Peak 2689 from cnoeabs.peaks (8.07, 0.65, 28.41 ppm; 4.54 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 55 + HB2 ARG 55 OK 100 100 - 100 - 4.0=100 Peak 2690 from cnoeabs.peaks (3.43, 0.65, 28.41 ppm; 5.11 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 55 + HB2 ARG 55 OK 100 100 - 100 - 3.0=100 Peak 2691 from cnoeabs.peaks (0.65, 0.65, 28.41 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 55 + HB2 ARG 55 OK 100 100 - 100 Peak 2692 from cnoeabs.peaks (-0.28, 0.65, 28.41 ppm; 3.95 A): 2 out of 2 assignments used, quality = 1.00: * HB3 ARG 55 + HB2 ARG 55 OK 100 100 - 100 - 1.8=100 HG2 ARG 55 + HB2 ARG 55 OK 100 100 - 100 - 3.0=100 Peak 2693 from cnoeabs.peaks (-0.28, 0.65, 28.41 ppm; 3.95 A): 2 out of 2 assignments used, quality = 1.00: * HG2 ARG 55 + HB2 ARG 55 OK 100 100 - 100 - 3.0=100 HB3 ARG 55 + HB2 ARG 55 OK 100 100 - 100 - 1.8=100 Peak 2694 from cnoeabs.peaks (-0.44, 0.65, 28.41 ppm; 4.94 A): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 55 + HB2 ARG 55 OK 100 100 - 100 - 3.0=100 Peak 2697 from cnoeabs.peaks (8.07, -0.28, 28.41 ppm; 5.05 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 55 + HB3 ARG 55 OK 100 100 - 100 - 4.0=100 Peak 2699 from cnoeabs.peaks (0.65, -0.28, 28.41 ppm; 4.36 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 55 + HB3 ARG 55 OK 100 100 - 100 - 1.8=100 Peak 2700 from cnoeabs.peaks (-0.28, -0.28, 28.41 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ARG 55 + HB3 ARG 55 OK 100 100 - 100 Peak 2701 from cnoeabs.peaks (-0.28, -0.28, 28.41 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: HB3 ARG 55 + HB3 ARG 55 OK 100 100 - 100 Reference assignment not found: HG2 ARG 55 - HB3 ARG 55 Peak 2702 from cnoeabs.peaks (-0.44, -0.28, 28.41 ppm; 5.43 A): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 55 + HB3 ARG 55 OK 100 100 - 100 - 3.0=100 Peak 2707 from cnoeabs.peaks (0.65, -0.28, 23.54 ppm; 5.55 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 55 + HG2 ARG 55 OK 100 100 - 100 - 3.0=100 Peak 2708 from cnoeabs.peaks (-0.28, -0.28, 23.54 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: HG2 ARG 55 + HG2 ARG 55 OK 100 100 - 100 Reference assignment not found: HB3 ARG 55 - HG2 ARG 55 Peak 2709 from cnoeabs.peaks (-0.28, -0.28, 23.54 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 ARG 55 + HG2 ARG 55 OK 100 100 - 100 Peak 2710 from cnoeabs.peaks (-0.44, -0.28, 23.54 ppm; 4.64 A): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 55 + HG2 ARG 55 OK 100 100 - 100 - 1.8=100 Peak 2716 from cnoeabs.peaks (-0.28, -0.44, 23.54 ppm; 4.63 A): 2 out of 2 assignments used, quality = 1.00: * HB3 ARG 55 + HG3 ARG 55 OK 100 100 - 100 - 3.0=100 HG2 ARG 55 + HG3 ARG 55 OK 100 100 - 100 - 1.8=100 Peak 2717 from cnoeabs.peaks (-0.28, -0.44, 23.54 ppm; 4.63 A): 2 out of 2 assignments used, quality = 1.00: * HG2 ARG 55 + HG3 ARG 55 OK 100 100 - 100 - 1.8=100 HB3 ARG 55 + HG3 ARG 55 OK 100 100 - 100 - 3.0=100 Peak 2718 from cnoeabs.peaks (-0.44, -0.44, 23.54 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 55 + HG3 ARG 55 OK 100 100 - 100 Peak 2722 from cnoeabs.peaks (3.43, 2.41, 40.78 ppm; 4.14 A): 1 out of 1 assignment used, quality = 0.77: * HA ARG 55 + HD2 ARG 55 OK 77 100 - 77 - 5.0=55, 2730/1.8=32...(5) Peak 2724 from cnoeabs.peaks (-0.28, 2.41, 40.78 ppm; 4.90 A): 2 out of 2 assignments used, quality = 1.00: * HB3 ARG 55 + HD2 ARG 55 OK 100 100 - 100 - 3.7=100 HG2 ARG 55 + HD2 ARG 55 OK 100 100 - 100 - 3.0=100 Peak 2725 from cnoeabs.peaks (-0.28, 2.41, 40.78 ppm; 4.90 A): 2 out of 2 assignments used, quality = 1.00: * HG2 ARG 55 + HD2 ARG 55 OK 100 100 - 100 - 3.0=100 HB3 ARG 55 + HD2 ARG 55 OK 100 100 - 100 - 3.7=100 Peak 2726 from cnoeabs.peaks (-0.44, 2.41, 40.78 ppm; 5.25 A): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 55 + HD2 ARG 55 OK 100 100 - 100 - 3.0=100 Peak 2727 from cnoeabs.peaks (2.41, 2.41, 40.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 55 + HD2 ARG 55 OK 100 100 - 100 Peak 2728 from cnoeabs.peaks (1.97, 2.41, 40.78 ppm; 3.68 A): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 55 + HD2 ARG 55 OK 100 100 - 100 - 1.8=100 Peak 2730 from cnoeabs.peaks (3.43, 1.97, 40.78 ppm; 4.59 A): 1 out of 1 assignment used, quality = 0.90: * HA ARG 55 + HD3 ARG 55 OK 90 100 - 90 - 5.0=75, 2722/1.8=44...(5) Peak 2732 from cnoeabs.peaks (-0.28, 1.97, 40.78 ppm; 4.80 A): 2 out of 2 assignments used, quality = 1.00: * HB3 ARG 55 + HD3 ARG 55 OK 100 100 - 100 - 3.7=100 HG2 ARG 55 + HD3 ARG 55 OK 100 100 - 100 - 3.0=100 Peak 2733 from cnoeabs.peaks (-0.28, 1.97, 40.78 ppm; 4.80 A): 2 out of 2 assignments used, quality = 1.00: * HG2 ARG 55 + HD3 ARG 55 OK 100 100 - 100 - 3.0=100 HB3 ARG 55 + HD3 ARG 55 OK 100 100 - 100 - 3.7=100 Peak 2734 from cnoeabs.peaks (-0.44, 1.97, 40.78 ppm; 5.25 A): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 55 + HD3 ARG 55 OK 100 100 - 100 - 3.0=100 Peak 2735 from cnoeabs.peaks (2.41, 1.97, 40.78 ppm; 3.72 A): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 55 + HD3 ARG 55 OK 100 100 - 100 - 1.8=100 Peak 2736 from cnoeabs.peaks (1.97, 1.97, 40.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 55 + HD3 ARG 55 OK 100 100 - 100 Peak 2737 from cnoeabs.peaks (7.75, 4.08, 59.51 ppm; 3.86 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 56 + HA ARG 56 OK 100 100 - 100 - 3.0=100 Peak 2738 from cnoeabs.peaks (4.08, 4.08, 59.51 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA ARG 56 + HA ARG 56 OK 100 100 - 100 HA ARG 21 + HA ARG 21 OK 89 89 - 100 Peak 2739 from cnoeabs.peaks (1.72, 4.08, 59.51 ppm; 3.61 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 56 + HA ARG 56 OK 100 100 - 100 - 3.0=100 Peak 2740 from cnoeabs.peaks (2.04, 4.08, 59.51 ppm; 3.78 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ARG 56 + HA ARG 56 OK 100 100 - 100 - 3.0=100 Peak 2741 from cnoeabs.peaks (2.20, 4.08, 59.51 ppm; 3.87 A): 1 out of 1 assignment used, quality = 1.00: * HG2 ARG 56 + HA ARG 56 OK 100 100 - 100 - 3.8=100 Peak 2742 from cnoeabs.peaks (1.45, 4.08, 59.51 ppm; 3.60 A): 1 out of 20 assignments used, quality = 0.92: * HG3 ARG 56 + HA ARG 56 OK 92 100 - 92 - 3.8=86, 775/3.0=13...(7) HG3 LYS 58 - HA ARG 56 OK 18 100 - 18 - 4.9/3843=6, 775/3.0=3...(6) HG LEU 43 - HA ARG 21 OK 11 77 - 15 - 5.3/4486=3, 2246/2.9=2...(8) HB3 LEU 41 - HA ARG 21 OK 11 59 - 18 - 4.6/4466=3, 1.8/1353=3...(7) HB3 LEU 29 - HA ARG 56 lone 9 99 - 9 - 775/3.0=2, ~4247=2...(4) HG2 LYS 39 - HA ARG 56 lone 7 76 - 9 - 1.8/2026=2, 4.9/3843=2 HB3 LEU 41 - HA ARG 56 lone 6 68 - 9 - 775/3.0=1, 4.6/4466=1...(5) HG LEU 43 - HA ARG 56 lone 5 87 - 6 - ~281=2, 5.3/4486=1 HG2 LYS 39 - HA ARG 21 lone 5 66 - 8 - 1.8/2026=2, 4.9/3843=2 HB3 LEU 29 - HA ARG 21 lone 3 90 - 3 - HG3 ARG 56 - HA ARG 21 lone 3 93 - 3 - HG3 LYS 58 - HA ARG 21 lone 2 93 - 2 - HG2 LYS 62 - HA ARG 56 lone 2 83 - 2 - HG3 LYS 62 - HA ARG 56 lone 2 83 - 2 - HG3 LYS 60 - HA ARG 56 lone 1 68 - 2 - HG2 LYS 60 - HA ARG 56 lone 1 65 - 2 - HG3 LYS 62 - HA ARG 21 lone 1 73 - 1 - HG2 LYS 62 - HA ARG 21 lone 1 73 - 1 - HG3 LYS 60 - HA ARG 21 lone 1 59 - 1 - HG2 LYS 60 - HA ARG 21 lone 1 56 - 1 - Peak 2743 from cnoeabs.peaks (2.71, 4.08, 59.51 ppm; 5.34 A): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 56 + HA ARG 56 OK 100 100 - 100 - 5.1=100 Peak 2744 from cnoeabs.peaks (2.84, 4.08, 59.51 ppm; 5.10 A): 1 out of 8 assignments used, quality = 0.99: * HD3 ARG 56 + HA ARG 56 OK 99 100 - 99 - 5.1=99, 3.0/2742=23...(5) HE2 LYS 58 - HA ARG 56 OK 10 65 - 16 - 7.2/3843=7, 3.9/2742=4 HE3 LYS 58 - HA ARG 56 OK 10 65 - 16 - 7.2/3843=7, 3.9/2742=4 HE2 LYS 27 - HA ARG 56 lone 8 99 - 8 - 4862/4638=5 HD3 ARG 56 - HA ARG 21 lone 4 93 - 4 - HE2 LYS 27 - HA ARG 21 lone 3 91 - 3 - HE3 LYS 58 - HA ARG 21 lone 2 56 - 3 - HE2 LYS 58 - HA ARG 21 lone 2 56 - 3 - Peak 2745 from cnoeabs.peaks (7.75, 1.72, 31.63 ppm; 4.05 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 56 + HB2 ARG 56 OK 100 100 - 100 - 3.9=100 Peak 2746 from cnoeabs.peaks (4.08, 1.72, 31.63 ppm; 4.09 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 56 + HB2 ARG 56 OK 100 100 - 100 - 3.0=100 Peak 2747 from cnoeabs.peaks (1.72, 1.72, 31.63 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 56 + HB2 ARG 56 OK 100 100 - 100 Peak 2748 from cnoeabs.peaks (2.04, 1.72, 31.63 ppm; 3.12 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ARG 56 + HB2 ARG 56 OK 100 100 - 100 - 1.8=100 Peak 2749 from cnoeabs.peaks (2.20, 1.72, 31.63 ppm; 4.52 A): 1 out of 1 assignment used, quality = 1.00: * HG2 ARG 56 + HB2 ARG 56 OK 100 100 - 100 - 3.0=100 Peak 2750 from cnoeabs.peaks (1.45, 1.72, 31.63 ppm; 4.18 A): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 56 + HB2 ARG 56 OK 100 100 - 100 - 3.0=100 Peak 2751 from cnoeabs.peaks (2.71, 1.72, 31.63 ppm; 4.94 A): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 56 + HB2 ARG 56 OK 100 100 - 100 - 3.6=100 Peak 2752 from cnoeabs.peaks (2.84, 1.72, 31.63 ppm; 4.28 A): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 56 + HB2 ARG 56 OK 100 100 - 100 - 3.6=100 Peak 2753 from cnoeabs.peaks (7.75, 2.04, 31.63 ppm; 4.01 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 56 + HB3 ARG 56 OK 100 100 - 100 - 3.9=100 Peak 2754 from cnoeabs.peaks (4.08, 2.04, 31.63 ppm; 4.13 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 56 + HB3 ARG 56 OK 100 100 - 100 - 3.0=100 Peak 2755 from cnoeabs.peaks (1.72, 2.04, 31.63 ppm; 3.22 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 56 + HB3 ARG 56 OK 100 100 - 100 - 1.8=100 Peak 2756 from cnoeabs.peaks (2.04, 2.04, 31.63 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 ARG 56 + HB3 ARG 56 OK 100 100 - 100 HB3 GLN 26 + HB3 GLN 26 OK 62 62 - 100 HB2 GLN 26 + HB2 GLN 26 OK 62 62 - 100 Peak 2757 from cnoeabs.peaks (2.20, 2.04, 31.63 ppm; 5.68 A): 1 out of 1 assignment used, quality = 1.00: * HG2 ARG 56 + HB3 ARG 56 OK 100 100 - 100 - 3.0=100 Peak 2758 from cnoeabs.peaks (1.45, 2.04, 31.63 ppm; 4.79 A): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 56 + HB3 ARG 56 OK 100 100 - 100 - 3.0=100 Peak 2760 from cnoeabs.peaks (2.84, 2.04, 31.63 ppm; 4.48 A): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 56 + HB3 ARG 56 OK 100 100 - 100 - 3.6=100 Peak 2761 from cnoeabs.peaks (7.75, 2.20, 30.34 ppm; 4.99 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 56 + HG2 ARG 56 OK 100 100 - 100 - 4.6=100 Peak 2762 from cnoeabs.peaks (4.08, 2.20, 30.34 ppm; 4.75 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 56 + HG2 ARG 56 OK 100 100 - 100 - 3.8=100 Peak 2763 from cnoeabs.peaks (1.72, 2.20, 30.34 ppm; 4.96 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 56 + HG2 ARG 56 OK 100 100 - 100 - 3.0=100 Peak 2764 from cnoeabs.peaks (2.04, 2.20, 30.34 ppm; 5.32 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ARG 56 + HG2 ARG 56 OK 100 100 - 100 - 3.0=100 Peak 2765 from cnoeabs.peaks (2.20, 2.20, 30.34 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 ARG 56 + HG2 ARG 56 OK 100 100 - 100 Peak 2766 from cnoeabs.peaks (1.45, 2.20, 30.34 ppm; 3.70 A): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 56 + HG2 ARG 56 OK 100 100 - 100 - 1.8=100 Peak 2767 from cnoeabs.peaks (2.71, 2.20, 30.34 ppm; 5.14 A): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 56 + HG2 ARG 56 OK 100 100 - 100 - 3.0=100 Peak 2768 from cnoeabs.peaks (2.84, 2.20, 30.34 ppm; 5.16 A): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 56 + HG2 ARG 56 OK 100 100 - 100 - 3.0=100 Peak 2769 from cnoeabs.peaks (7.75, 1.45, 30.34 ppm; 4.90 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 56 + HG3 ARG 56 OK 100 100 - 100 - 4.6=100 Peak 2770 from cnoeabs.peaks (4.08, 1.45, 30.34 ppm; 4.13 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 56 + HG3 ARG 56 OK 100 100 - 100 - 3.8=100 Peak 2771 from cnoeabs.peaks (1.72, 1.45, 30.34 ppm; 5.58 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 56 + HG3 ARG 56 OK 100 100 - 100 - 3.0=100 Peak 2772 from cnoeabs.peaks (2.04, 1.45, 30.34 ppm; 4.60 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ARG 56 + HG3 ARG 56 OK 100 100 - 100 - 3.0=100 Peak 2773 from cnoeabs.peaks (2.20, 1.45, 30.34 ppm; 3.52 A): 1 out of 1 assignment used, quality = 1.00: * HG2 ARG 56 + HG3 ARG 56 OK 100 100 - 100 - 1.8=100 Peak 2774 from cnoeabs.peaks (1.45, 1.45, 30.34 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 56 + HG3 ARG 56 OK 100 100 - 100 Peak 2775 from cnoeabs.peaks (2.71, 1.45, 30.34 ppm; 4.42 A): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 56 + HG3 ARG 56 OK 100 100 - 100 - 3.0=100 Peak 2776 from cnoeabs.peaks (2.84, 1.45, 30.34 ppm; 4.49 A): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 56 + HG3 ARG 56 OK 100 100 - 100 - 3.0=100 Peak 2779 from cnoeabs.peaks (1.72, 2.71, 43.43 ppm; 4.78 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 56 + HD2 ARG 56 OK 100 100 - 100 - 3.6=100 Peak 2780 from cnoeabs.peaks (2.04, 2.71, 43.43 ppm; 5.23 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ARG 56 + HD2 ARG 56 OK 100 100 - 100 - 3.6=100 Peak 2781 from cnoeabs.peaks (2.20, 2.71, 43.43 ppm; 4.77 A): 1 out of 1 assignment used, quality = 1.00: * HG2 ARG 56 + HD2 ARG 56 OK 100 100 - 100 - 3.0=100 Peak 2782 from cnoeabs.peaks (1.45, 2.71, 43.43 ppm; 4.33 A): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 56 + HD2 ARG 56 OK 100 100 - 100 - 3.0=100 Peak 2783 from cnoeabs.peaks (2.71, 2.71, 43.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 56 + HD2 ARG 56 OK 100 100 - 100 Peak 2784 from cnoeabs.peaks (2.84, 2.71, 43.43 ppm; 3.41 A): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 56 + HD2 ARG 56 OK 100 100 - 100 - 1.8=100 Peak 2787 from cnoeabs.peaks (1.72, 2.84, 43.43 ppm; 4.35 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 56 + HD3 ARG 56 OK 100 100 - 100 - 3.6=100 Peak 2788 from cnoeabs.peaks (2.04, 2.84, 43.43 ppm; 4.67 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ARG 56 + HD3 ARG 56 OK 100 100 - 100 - 3.6=100 Peak 2789 from cnoeabs.peaks (2.20, 2.84, 43.43 ppm; 4.65 A): 1 out of 1 assignment used, quality = 1.00: * HG2 ARG 56 + HD3 ARG 56 OK 100 100 - 100 - 3.0=100 Peak 2790 from cnoeabs.peaks (1.45, 2.84, 43.43 ppm; 4.27 A): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 56 + HD3 ARG 56 OK 100 100 - 100 - 3.0=100 Peak 2791 from cnoeabs.peaks (2.71, 2.84, 43.43 ppm; 2.95 A): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 56 + HD3 ARG 56 OK 100 100 - 100 - 1.8=100 Peak 2792 from cnoeabs.peaks (2.84, 2.84, 43.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 56 + HD3 ARG 56 OK 100 100 - 100 Peak 2793 from cnoeabs.peaks (7.56, 4.44, 59.02 ppm; 3.49 A): 1 out of 1 assignment used, quality = 1.00: * H TYR 57 + HA TYR 57 OK 100 100 - 100 - 3.0=100 Peak 2794 from cnoeabs.peaks (4.44, 4.44, 59.02 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA TYR 57 + HA TYR 57 OK 100 100 - 100 Peak 2795 from cnoeabs.peaks (3.09, 4.44, 59.02 ppm; 3.38 A): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 57 + HA TYR 57 OK 100 100 - 100 - 3.0=100 Peak 2796 from cnoeabs.peaks (3.17, 4.44, 59.02 ppm; 3.36 A): 1 out of 1 assignment used, quality = 1.00: * HB3 TYR 57 + HA TYR 57 OK 100 100 - 100 - 3.0=100 Peak 2798 from cnoeabs.peaks (7.14, 4.44, 59.02 ppm; 3.39 A): 1 out of 4 assignments used, quality = 0.87: * QD TYR 57 + HA TYR 57 OK 87 100 - 87 - 3.7=74, 783/3.0=16...(7) HD1 TRP 51 - HA TYR 57 lone 2 100 - 2 - 783/3.0=1 QD TYR 28 - HA TYR 57 lone 1 93 - 2 - HD2 HIS 13 - HA TYR 57 lone 1 83 - 1 - Peak 2799 from cnoeabs.peaks (7.56, 3.09, 37.92 ppm; 3.83 A): 1 out of 2 assignments used, quality = 0.96: * H TYR 57 + HB2 TYR 57 OK 96 100 - 96 - 4.0=87, 2805/1.8=33...(7) H GLU 18 - HB2 TYR 57 OK 17 96 - 17 - 2805/1.8=6, 780=5...(4) Peak 2800 from cnoeabs.peaks (4.44, 3.09, 37.92 ppm; 3.76 A): 1 out of 1 assignment used, quality = 1.00: * HA TYR 57 + HB2 TYR 57 OK 100 100 - 100 - 3.0=100 Peak 2801 from cnoeabs.peaks (3.09, 3.09, 37.92 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 57 + HB2 TYR 57 OK 100 100 - 100 Peak 2802 from cnoeabs.peaks (3.17, 3.09, 37.92 ppm; 2.63 A): 1 out of 1 assignment used, quality = 1.00: * HB3 TYR 57 + HB2 TYR 57 OK 100 100 - 100 - 1.8=100 Peak 2804 from cnoeabs.peaks (7.14, 3.09, 37.92 ppm; 3.82 A): 1 out of 1 assignment used, quality = 1.00: * QD TYR 57 + HB2 TYR 57 OK 100 100 - 100 - 2.5=100 Peak 2805 from cnoeabs.peaks (7.56, 3.17, 37.92 ppm; 3.74 A): 1 out of 2 assignments used, quality = 0.95: * H TYR 57 + HB3 TYR 57 OK 95 100 - 95 - 4.0=81, 780/1.8=33...(8) H GLU 18 - HB3 TYR 57 OK 16 96 - 17 - 2799/1.8=6, 781=5...(4) Peak 2806 from cnoeabs.peaks (4.44, 3.17, 37.92 ppm; 3.65 A): 1 out of 1 assignment used, quality = 1.00: * HA TYR 57 + HB3 TYR 57 OK 100 100 - 100 - 3.0=100 Peak 2807 from cnoeabs.peaks (3.09, 3.17, 37.92 ppm; 2.65 A): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 57 + HB3 TYR 57 OK 100 100 - 100 - 1.8=100 Peak 2808 from cnoeabs.peaks (3.17, 3.17, 37.92 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 TYR 57 + HB3 TYR 57 OK 100 100 - 100 Peak 2810 from cnoeabs.peaks (7.14, 3.17, 37.92 ppm; 3.76 A): 1 out of 1 assignment used, quality = 1.00: * QD TYR 57 + HB3 TYR 57 OK 100 100 - 100 - 2.5=100 Peak 2815 from cnoeabs.peaks (6.81, 6.81, 117.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE TYR 57 + QE TYR 57 OK 100 100 - 100 Peak 2816 from cnoeabs.peaks (7.14, 6.81, 117.91 ppm; 2.76 A): 1 out of 1 assignment used, quality = 1.00: * QD TYR 57 + QE TYR 57 OK 100 100 - 100 - 2.2=100 Peak 2818 from cnoeabs.peaks (4.44, 7.14, 133.12 ppm; 4.75 A): 1 out of 1 assignment used, quality = 0.86: * HA TYR 57 + QD TYR 57 OK 86 86 - 100 - 3.7=100 Peak 2819 from cnoeabs.peaks (3.09, 7.14, 133.12 ppm; 4.91 A): 1 out of 1 assignment used, quality = 0.86: * HB2 TYR 57 + QD TYR 57 OK 86 86 - 100 - 2.5=100 Peak 2820 from cnoeabs.peaks (3.17, 7.14, 133.12 ppm; 4.66 A): 1 out of 1 assignment used, quality = 0.86: * HB3 TYR 57 + QD TYR 57 OK 86 86 - 100 - 2.5=100 Peak 2821 from cnoeabs.peaks (6.81, 7.14, 133.12 ppm; 3.67 A): 1 out of 1 assignment used, quality = 0.86: * QE TYR 57 + QD TYR 57 OK 86 86 - 100 - 2.2=100 Peak 2822 from cnoeabs.peaks (7.14, 7.14, 133.12 ppm; diagonal): 1 out of 1 assignment used, quality = 0.86: * QD TYR 57 + QD TYR 57 OK 86 86 - 100 Peak 2823 from cnoeabs.peaks (7.68, 4.11, 57.48 ppm; 3.79 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 58 + HA LYS 58 OK 100 100 - 100 - 3.0=100 Peak 2824 from cnoeabs.peaks (4.11, 4.11, 57.48 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 58 + HA LYS 58 OK 100 100 - 100 Peak 2825 from cnoeabs.peaks (1.80, 4.11, 57.48 ppm; 3.23 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 58 + HA LYS 58 OK 100 100 - 100 - 3.0=100 Peak 2826 from cnoeabs.peaks (1.73, 4.11, 57.48 ppm; 3.26 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 58 + HA LYS 58 OK 100 100 - 100 - 3.0=100 Peak 2827 from cnoeabs.peaks (1.36, 4.11, 57.48 ppm; 3.73 A): 1 out of 7 assignments used, quality = 0.96: * HG2 LYS 58 + HA LYS 58 OK 96 100 - 96 - 4.0=82, 1.8/2864=26...(16) QB ALA 38 - HA LYS 58 OK 10 92 - 11 - 788/3.0=3, 4406/3.0=1...(5) HG2 LYS 42 - HA LYS 58 lone 6 100 - 6 - 305/3.6=2, 788/3.0=1 HG3 LYS 42 - HA LYS 58 lone 6 100 - 6 - 305/3.6=2, 788/3.0=1 HG13 ILE 17 - HA LYS 58 lone 2 90 - 3 - 788/3.0=1 HD3 LYS 27 - HA LYS 58 lone 2 68 - 3 - HG2 ARG 34 - HA LYS 58 lone 2 87 - 2 - Peak 2828 from cnoeabs.peaks (1.45, 4.11, 57.48 ppm; 4.01 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 58 + HA LYS 58 OK 100 100 - 100 - 4.0=100 Peak 2829 from cnoeabs.peaks (1.54, 4.11, 57.48 ppm; 3.97 A): 2 out of 6 assignments used, quality = 0.99: * HD2 LYS 58 + HA LYS 58 OK 89 100 - 89 - 5.1=47, 3.0/2827=25...(15) HD3 LYS 58 + HA LYS 58 OK 89 100 - 89 - 5.1=47, 3.0/2827=25...(15) HG3 LYS 39 - HA LYS 58 OK 16 100 - 16 - 2025/3.0=4, ~2015=2...(4) HG LEU 37 - HA LYS 58 lone 3 83 - 3 - 790/3.0=1 HB3 LYS 27 - HA LYS 58 lone 3 83 - 3 - 4206/4710=1 QB ALA 31 - HA LYS 58 lone 1 87 - 1 - Peak 2830 from cnoeabs.peaks (1.54, 4.11, 57.48 ppm; 3.97 A): 2 out of 6 assignments used, quality = 0.99: HD2 LYS 58 + HA LYS 58 OK 89 100 - 89 - 5.1=47, 3.0/2827=25...(15) * HD3 LYS 58 + HA LYS 58 OK 89 100 - 89 - 5.1=47, 3.0/2827=25...(15) HG3 LYS 39 - HA LYS 58 OK 16 100 - 16 - 2025/3.0=4, ~2015=2...(4) HG LEU 37 - HA LYS 58 lone 3 83 - 3 - 790/3.0=1 HB3 LYS 27 - HA LYS 58 lone 3 83 - 3 - 4206/4710=1 QB ALA 31 - HA LYS 58 lone 1 87 - 1 - Peak 2833 from cnoeabs.peaks (7.68, 1.80, 32.42 ppm; 4.34 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 58 + HB2 LYS 58 OK 100 100 - 100 - 4.0=100 Peak 2834 from cnoeabs.peaks (4.11, 1.80, 32.42 ppm; 4.06 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 58 + HB2 LYS 58 OK 100 100 - 100 - 3.0=100 Peak 2835 from cnoeabs.peaks (1.80, 1.80, 32.42 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 58 + HB2 LYS 58 OK 100 100 - 100 Peak 2836 from cnoeabs.peaks (1.73, 1.80, 32.42 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 58 + HB2 LYS 58 OK 100 100 - 100 - 1.8=100 Peak 2837 from cnoeabs.peaks (1.36, 1.80, 32.42 ppm; 4.33 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 58 + HB2 LYS 58 OK 100 100 - 100 - 2.8=100 Peak 2838 from cnoeabs.peaks (1.45, 1.80, 32.42 ppm; 3.86 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 58 + HB2 LYS 58 OK 100 100 - 100 - 2.8=100 Peak 2839 from cnoeabs.peaks (1.54, 1.80, 32.42 ppm; 4.11 A): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 58 + HB2 LYS 58 OK 100 100 - 100 - 3.5=100 * HD2 LYS 58 + HB2 LYS 58 OK 100 100 - 100 - 3.5=100 Peak 2840 from cnoeabs.peaks (1.54, 1.80, 32.42 ppm; 4.11 A): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 58 + HB2 LYS 58 OK 100 100 - 100 - 3.5=100 HD2 LYS 58 + HB2 LYS 58 OK 100 100 - 100 - 3.5=100 Peak 2843 from cnoeabs.peaks (7.68, 1.73, 32.42 ppm; 4.32 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 58 + HB3 LYS 58 OK 100 100 - 100 - 4.0=100 Peak 2844 from cnoeabs.peaks (4.11, 1.73, 32.42 ppm; 3.94 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 58 + HB3 LYS 58 OK 100 100 - 100 - 3.0=100 Peak 2845 from cnoeabs.peaks (1.80, 1.73, 32.42 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 58 + HB3 LYS 58 OK 100 100 - 100 - 1.8=100 Peak 2846 from cnoeabs.peaks (1.73, 1.73, 32.42 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 58 + HB3 LYS 58 OK 100 100 - 100 Peak 2847 from cnoeabs.peaks (1.36, 1.73, 32.42 ppm; 4.11 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 58 + HB3 LYS 58 OK 100 100 - 100 - 2.8=100 Peak 2848 from cnoeabs.peaks (1.45, 1.73, 32.42 ppm; 4.10 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 58 + HB3 LYS 58 OK 100 100 - 100 - 2.8=100 Peak 2849 from cnoeabs.peaks (1.54, 1.73, 32.42 ppm; 4.21 A): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 58 + HB3 LYS 58 OK 100 100 - 100 - 3.5=100 * HD2 LYS 58 + HB3 LYS 58 OK 100 100 - 100 - 3.5=100 Peak 2850 from cnoeabs.peaks (1.54, 1.73, 32.42 ppm; 4.21 A): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 58 + HB3 LYS 58 OK 100 100 - 100 - 3.5=100 HD2 LYS 58 + HB3 LYS 58 OK 100 100 - 100 - 3.5=100 Peak 2853 from cnoeabs.peaks (7.68, 1.36, 24.85 ppm; 5.57 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 58 + HG2 LYS 58 OK 100 100 - 100 - 4.9=100 Peak 2854 from cnoeabs.peaks (4.11, 1.36, 24.85 ppm; 4.26 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 58 + HG2 LYS 58 OK 100 100 - 100 - 4.0=100 Peak 2855 from cnoeabs.peaks (1.80, 1.36, 24.85 ppm; 3.90 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 58 + HG2 LYS 58 OK 100 100 - 100 - 2.8=100 Peak 2856 from cnoeabs.peaks (1.73, 1.36, 24.85 ppm; 3.49 A): 3 out of 3 assignments used, quality = 1.00: * HB3 LYS 58 + HG2 LYS 58 OK 100 100 - 100 - 2.8=100 HD2 LYS 42 + HG3 LYS 42 OK 93 93 - 100 - 3.0=100 HD2 LYS 42 + HG2 LYS 42 OK 93 93 - 100 - 3.0=100 Peak 2857 from cnoeabs.peaks (1.36, 1.36, 24.85 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG2 LYS 58 + HG2 LYS 58 OK 100 100 - 100 HG3 LYS 42 + HG3 LYS 42 OK 97 97 - 100 HG2 LYS 42 + HG2 LYS 42 OK 97 97 - 100 Peak 2858 from cnoeabs.peaks (1.45, 1.36, 24.85 ppm; 2.43 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 58 + HG2 LYS 58 OK 100 100 - 100 - 1.8=100 Peak 2859 from cnoeabs.peaks (1.54, 1.36, 24.85 ppm; 3.08 A): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 58 + HG2 LYS 58 OK 100 100 - 100 - 3.0=100 * HD2 LYS 58 + HG2 LYS 58 OK 100 100 - 100 - 3.0=100 Peak 2860 from cnoeabs.peaks (1.54, 1.36, 24.85 ppm; 3.08 A): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 58 + HG2 LYS 58 OK 100 100 - 100 - 3.0=100 HD2 LYS 58 + HG2 LYS 58 OK 100 100 - 100 - 3.0=100 Peak 2861 from cnoeabs.peaks (2.87, 1.36, 24.85 ppm; 4.30 A): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 58 + HG2 LYS 58 OK 100 100 - 100 - 3.9=100 * HE2 LYS 58 + HG2 LYS 58 OK 100 100 - 100 - 3.9=100 Peak 2862 from cnoeabs.peaks (2.87, 1.36, 24.85 ppm; 4.30 A): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 58 + HG2 LYS 58 OK 100 100 - 100 - 3.9=100 HE2 LYS 58 + HG2 LYS 58 OK 100 100 - 100 - 3.9=100 Peak 2863 from cnoeabs.peaks (7.68, 1.45, 24.85 ppm; 4.49 A): 1 out of 4 assignments used, quality = 0.98: * H LYS 58 + HG3 LYS 58 OK 98 100 - 98 - 4.9=76, 786/2.8=32...(15) H LYS 39 - HG3 LYS 58 OK 31 100 - 31 - 164/1.8=6, 653/3.0=5...(11) H VAL 48 - HG3 LYS 58 lone 9 100 - 8 - 4568/1.8=2, 222/2.8=1 HE22 GLN 47 - HG3 LYS 58 lone 3 96 - 3 - Peak 2864 from cnoeabs.peaks (4.11, 1.45, 24.85 ppm; 3.98 A): 1 out of 4 assignments used, quality = 0.99: * HA LYS 58 + HG3 LYS 58 OK 99 100 - 99 - 4.0=99 HA LYS 39 - HG3 LYS 58 OK 15 68 - 22 - 3.0/2863=6, ~164=3...(11) HA ARG 56 - HG3 LYS 58 OK 12 63 - 19 - 3.0/3592=4, 3843/4.9=4...(6) HA SER 24 - HG3 LYS 58 lone 1 57 - 2 - Peak 2865 from cnoeabs.peaks (1.80, 1.45, 24.85 ppm; 3.36 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 58 + HG3 LYS 58 OK 100 100 - 100 - 2.8=100 Peak 2866 from cnoeabs.peaks (1.73, 1.45, 24.85 ppm; 3.67 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 58 + HG3 LYS 58 OK 100 100 - 100 - 2.8=100 Peak 2867 from cnoeabs.peaks (1.36, 1.45, 24.85 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 58 + HG3 LYS 58 OK 100 100 - 100 - 1.8=100 Peak 2868 from cnoeabs.peaks (1.45, 1.45, 24.85 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 58 + HG3 LYS 58 OK 100 100 - 100 Peak 2869 from cnoeabs.peaks (1.54, 1.45, 24.85 ppm; 2.75 A): 2 out of 6 assignments used, quality = 0.99: * HD2 LYS 58 + HG3 LYS 58 OK 91 100 - 91 - 3.0=81, 2877/1.8=14...(12) HD3 LYS 58 + HG3 LYS 58 OK 91 100 - 91 - 3.0=81, 2877/1.8=14...(12) HG3 LYS 39 - HG3 LYS 58 lone 6 100 - 6 - 4.9/2863=1, 3.9/2864=1 HB3 LYS 27 - HG3 LYS 58 lone 1 83 - 2 - HG LEU 37 - HG3 LYS 58 lone 1 83 - 1 - QB ALA 31 - HG3 LYS 58 lone 0 87 - 1 - Peak 2870 from cnoeabs.peaks (1.54, 1.45, 24.85 ppm; 2.75 A): 2 out of 6 assignments used, quality = 0.99: HD2 LYS 58 + HG3 LYS 58 OK 91 100 - 91 - 3.0=81, 2877/1.8=14...(12) * HD3 LYS 58 + HG3 LYS 58 OK 91 100 - 91 - 3.0=81, 2877/1.8=14...(12) HG3 LYS 39 - HG3 LYS 58 lone 6 100 - 6 - 4.9/2863=1, 3.9/2864=1 HB3 LYS 27 - HG3 LYS 58 lone 1 83 - 2 - HG LEU 37 - HG3 LYS 58 lone 1 83 - 1 - QB ALA 31 - HG3 LYS 58 lone 0 87 - 1 - Peak 2871 from cnoeabs.peaks (2.87, 1.45, 24.85 ppm; 4.13 A): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 58 + HG3 LYS 58 OK 100 100 - 100 - 3.9=100 * HE2 LYS 58 + HG3 LYS 58 OK 100 100 - 100 - 3.9=100 Peak 2872 from cnoeabs.peaks (2.87, 1.45, 24.85 ppm; 4.13 A): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 58 + HG3 LYS 58 OK 100 100 - 100 - 3.9=100 HE2 LYS 58 + HG3 LYS 58 OK 100 100 - 100 - 3.9=100 Peak 2873 from cnoeabs.peaks (7.68, 1.54, 29.10 ppm; 5.05 A): 2 out of 8 assignments used, quality = 1.00: H LYS 58 + HD3 LYS 58 OK 97 100 - 97 - 6.2=53, 786/3.5=33...(14) * H LYS 58 + HD2 LYS 58 OK 97 100 - 97 - 6.2=53, 786/3.5=33...(14) H LYS 39 - HD2 LYS 58 OK 44 100 - 44 - 2863/3.0=9, 653=7...(14) H LYS 39 - HD3 LYS 58 OK 44 100 - 44 - 2863/3.0=9, 653=7...(14) H VAL 48 - HD3 LYS 58 lone 10 100 - 10 - 2863/3.0=2, 4568/3.0=2 H VAL 48 - HD2 LYS 58 lone 10 100 - 10 - 2863/3.0=2, 4568/3.0=2 HE22 GLN 47 - HD2 LYS 58 lone 4 96 - 4 - HE22 GLN 47 - HD3 LYS 58 lone 4 96 - 4 - Peak 2874 from cnoeabs.peaks (4.11, 1.54, 29.10 ppm; 4.51 A): 2 out of 8 assignments used, quality = 1.00: * HA LYS 58 + HD2 LYS 58 OK 96 100 - 96 - 5.1=69, 2827/3.0=30...(15) HA LYS 58 + HD3 LYS 58 OK 96 100 - 96 - 5.1=69, 2827/3.0=30...(15) HA LYS 39 - HD3 LYS 58 OK 23 68 - 33 - 3.0/653=5, 2864/3.0=4...(12) HA LYS 39 - HD2 LYS 58 OK 23 68 - 33 - 3.0/653=5, 2864/3.0=4...(12) HA ARG 56 - HD3 LYS 58 OK 12 63 - 19 - 3843/6.2=4, 2864/3.0=3...(6) HA ARG 56 - HD2 LYS 58 OK 12 63 - 19 - 3843/6.2=4, 2864/3.0=3...(6) HA SER 24 - HD2 LYS 58 lone 1 57 - 2 - HA SER 24 - HD3 LYS 58 lone 1 57 - 2 - Peak 2875 from cnoeabs.peaks (1.80, 1.54, 29.10 ppm; 3.85 A): 2 out of 2 assignments used, quality = 1.00: HB2 LYS 58 + HD3 LYS 58 OK 100 100 - 100 - 3.5=100 * HB2 LYS 58 + HD2 LYS 58 OK 100 100 - 100 - 3.5=100 Peak 2876 from cnoeabs.peaks (1.73, 1.54, 29.10 ppm; 3.32 A): 2 out of 16 assignments used, quality = 1.00: HB3 LYS 58 + HD3 LYS 58 OK 96 100 - 96 - 3.5=85, 2.8/2870=15...(18) * HB3 LYS 58 + HD2 LYS 58 OK 96 100 - 96 - 3.5=85, 2.8/2870=15...(18) HB2 ARG 56 - HD3 LYS 58 lone 7 97 - 7 - 787/6.2=2 HB2 ARG 56 - HD2 LYS 58 lone 7 97 - 7 - 787/6.2=2 HB3 LEU 37 - HD2 LYS 58 lone 4 100 - 4 - HB3 LEU 37 - HD3 LYS 58 lone 4 100 - 4 - HD2 LYS 42 - HD3 LYS 58 lone 2 97 - 2 - HD2 LYS 42 - HD2 LYS 58 lone 2 97 - 2 - HB3 ARG 61 - HD3 LYS 58 lone 1 100 - 1 - HB3 ARG 61 - HD2 LYS 58 lone 1 100 - 1 - HG2 LYS 22 - HD2 LYS 58 lone 1 89 - 1 - HG2 LYS 22 - HD3 LYS 58 lone 1 89 - 1 - HD2 LYS 49 - HD3 LYS 58 lone 0 63 - 1 - HD2 LYS 49 - HD2 LYS 58 lone 0 63 - 1 - HD3 LYS 49 - HD3 LYS 58 lone 0 60 - 1 - HD3 LYS 49 - HD2 LYS 58 lone 0 60 - 1 - Peak 2877 from cnoeabs.peaks (1.36, 1.54, 29.10 ppm; 2.75 A): 2 out of 14 assignments used, quality = 0.99: * HG2 LYS 58 + HD2 LYS 58 OK 91 100 - 91 - 3.0=81, 1.8/2870=15...(11) HG2 LYS 58 + HD3 LYS 58 OK 91 100 - 91 - 3.0=81, 1.8/2870=15...(11) QB ALA 38 - HD2 LYS 58 lone 6 92 - 7 - 3.6/653=2 QB ALA 38 - HD3 LYS 58 lone 6 92 - 7 - 3.6/653=2 HG2 LYS 42 - HD3 LYS 58 lone 1 100 - 1 - HG2 LYS 42 - HD2 LYS 58 lone 1 100 - 1 - HG3 LYS 42 - HD3 LYS 58 lone 1 100 - 1 - HG3 LYS 42 - HD2 LYS 58 lone 1 100 - 1 - HG2 ARG 34 - HD3 LYS 58 lone 1 87 - 1 - HG2 ARG 34 - HD2 LYS 58 lone 1 87 - 1 - HG13 ILE 17 - HD3 LYS 58 lone 1 90 - 1 - HG13 ILE 17 - HD2 LYS 58 lone 1 90 - 1 - HD3 LYS 27 - HD3 LYS 58 lone 0 68 - 1 - HD3 LYS 27 - HD2 LYS 58 lone 0 68 - 1 - Peak 2878 from cnoeabs.peaks (1.45, 1.54, 29.10 ppm; 2.92 A): 2 out of 20 assignments used, quality = 1.00: * HG3 LYS 58 + HD2 LYS 58 OK 99 100 - 99 - 3.0=97, 2869/1.8=17...(12) HG3 LYS 58 + HD3 LYS 58 OK 99 100 - 99 - 3.0=97, 2869/1.8=17...(12) HG2 LYS 39 - HD3 LYS 58 lone 4 73 - 6 - 3.9/1990=1, 4.9/653=1 HG2 LYS 39 - HD2 LYS 58 lone 4 73 - 6 - 3.9/1990=1, 4.9/653=1 HG3 ARG 56 - HD2 LYS 58 lone 3 100 - 3 - HG3 ARG 56 - HD3 LYS 58 lone 3 100 - 3 - HB3 LEU 41 - HD3 LYS 58 lone 1 65 - 1 - HB3 LEU 41 - HD2 LYS 58 lone 1 65 - 1 - HB3 LEU 29 - HD2 LYS 58 lone 1 99 - 1 - HB3 LEU 29 - HD3 LYS 58 lone 1 99 - 1 - HG3 LYS 62 - HD2 LYS 58 lone 1 81 - 1 - HG2 LYS 62 - HD2 LYS 58 lone 1 81 - 1 - HG2 LYS 62 - HD3 LYS 58 lone 1 81 - 1 - HG3 LYS 62 - HD3 LYS 58 lone 1 81 - 1 - HG LEU 43 - HD2 LYS 58 lone 0 89 - 0 - HG LEU 43 - HD3 LYS 58 lone 0 89 - 0 - HG3 LYS 60 - HD2 LYS 58 lone 0 65 - 1 - HG3 LYS 60 - HD3 LYS 58 lone 0 65 - 1 - HG2 LYS 60 - HD2 LYS 58 lone 0 63 - 1 - HG2 LYS 60 - HD3 LYS 58 lone 0 63 - 1 - Peak 2879 from cnoeabs.peaks (1.54, 1.54, 29.10 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 58 + HD3 LYS 58 OK 100 100 - 100 * HD2 LYS 58 + HD2 LYS 58 OK 100 100 - 100 Peak 2880 from cnoeabs.peaks (1.54, 1.54, 29.10 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 58 + HD3 LYS 58 OK 100 100 - 100 HD2 LYS 58 + HD2 LYS 58 OK 100 100 - 100 Reference assignment not found: HD3 LYS 58 - HD2 LYS 58 Peak 2881 from cnoeabs.peaks (2.87, 1.54, 29.10 ppm; 3.26 A): 4 out of 4 assignments used, quality = 1.00: HE3 LYS 58 + HD2 LYS 58 OK 100 100 - 100 - 3.0=100 HE3 LYS 58 + HD3 LYS 58 OK 100 100 - 100 - 3.0=100 * HE2 LYS 58 + HD2 LYS 58 OK 100 100 - 100 - 3.0=100 HE2 LYS 58 + HD3 LYS 58 OK 100 100 - 100 - 3.0=100 Peak 2882 from cnoeabs.peaks (2.87, 1.54, 29.10 ppm; 3.26 A): 4 out of 4 assignments used, quality = 1.00: * HE3 LYS 58 + HD2 LYS 58 OK 100 100 - 100 - 3.0=100 HE3 LYS 58 + HD3 LYS 58 OK 100 100 - 100 - 3.0=100 HE2 LYS 58 + HD2 LYS 58 OK 100 100 - 100 - 3.0=100 HE2 LYS 58 + HD3 LYS 58 OK 100 100 - 100 - 3.0=100 Peak 2883 from cnoeabs.peaks (7.68, 1.54, 29.10 ppm; 5.05 A): 2 out of 8 assignments used, quality = 1.00: * H LYS 58 + HD3 LYS 58 OK 97 100 - 97 - 6.2=53, 786/3.5=33...(14) H LYS 58 + HD2 LYS 58 OK 97 100 - 97 - 6.2=53, 786/3.5=33...(14) H LYS 39 - HD2 LYS 58 OK 44 100 - 44 - 2863/3.0=9, 653=7...(14) H LYS 39 - HD3 LYS 58 OK 44 100 - 44 - 2863/3.0=9, 653=7...(14) H VAL 48 - HD3 LYS 58 lone 10 100 - 10 - 2863/3.0=2, 4568/3.0=2 H VAL 48 - HD2 LYS 58 lone 10 100 - 10 - 2863/3.0=2, 4568/3.0=2 HE22 GLN 47 - HD2 LYS 58 lone 4 96 - 4 - HE22 GLN 47 - HD3 LYS 58 lone 4 96 - 4 - Peak 2884 from cnoeabs.peaks (4.11, 1.54, 29.10 ppm; 4.51 A): 2 out of 8 assignments used, quality = 1.00: HA LYS 58 + HD2 LYS 58 OK 96 100 - 96 - 5.1=69, 2827/3.0=30...(15) * HA LYS 58 + HD3 LYS 58 OK 96 100 - 96 - 5.1=69, 2827/3.0=30...(15) HA LYS 39 - HD3 LYS 58 OK 23 68 - 33 - 3.0/653=5, 2864/3.0=4...(12) HA LYS 39 - HD2 LYS 58 OK 23 68 - 33 - 3.0/653=5, 2864/3.0=4...(12) HA ARG 56 - HD3 LYS 58 OK 12 63 - 19 - 3843/6.2=4, 2864/3.0=3...(6) HA ARG 56 - HD2 LYS 58 OK 12 63 - 19 - 3843/6.2=4, 2864/3.0=3...(6) HA SER 24 - HD2 LYS 58 lone 1 57 - 2 - HA SER 24 - HD3 LYS 58 lone 1 57 - 2 - Peak 2885 from cnoeabs.peaks (1.80, 1.54, 29.10 ppm; 3.85 A): 2 out of 2 assignments used, quality = 1.00: * HB2 LYS 58 + HD3 LYS 58 OK 100 100 - 100 - 3.5=100 HB2 LYS 58 + HD2 LYS 58 OK 100 100 - 100 - 3.5=100 Peak 2886 from cnoeabs.peaks (1.73, 1.54, 29.10 ppm; 3.32 A): 2 out of 16 assignments used, quality = 1.00: * HB3 LYS 58 + HD3 LYS 58 OK 96 100 - 96 - 3.5=85, 2.8/2870=15...(18) HB3 LYS 58 + HD2 LYS 58 OK 96 100 - 96 - 3.5=85, 2.8/2870=15...(18) HB2 ARG 56 - HD3 LYS 58 lone 7 97 - 7 - 787/6.2=2 HB2 ARG 56 - HD2 LYS 58 lone 7 97 - 7 - 787/6.2=2 HB3 LEU 37 - HD2 LYS 58 lone 4 100 - 4 - HB3 LEU 37 - HD3 LYS 58 lone 4 100 - 4 - HD2 LYS 42 - HD3 LYS 58 lone 2 97 - 2 - HD2 LYS 42 - HD2 LYS 58 lone 2 97 - 2 - HB3 ARG 61 - HD3 LYS 58 lone 1 100 - 1 - HB3 ARG 61 - HD2 LYS 58 lone 1 100 - 1 - HG2 LYS 22 - HD2 LYS 58 lone 1 89 - 1 - HG2 LYS 22 - HD3 LYS 58 lone 1 89 - 1 - HD2 LYS 49 - HD3 LYS 58 lone 0 63 - 1 - HD2 LYS 49 - HD2 LYS 58 lone 0 63 - 1 - HD3 LYS 49 - HD3 LYS 58 lone 0 60 - 1 - HD3 LYS 49 - HD2 LYS 58 lone 0 60 - 1 - Peak 2887 from cnoeabs.peaks (1.36, 1.54, 29.10 ppm; 2.75 A): 2 out of 14 assignments used, quality = 0.99: HG2 LYS 58 + HD2 LYS 58 OK 91 100 - 91 - 3.0=81, 1.8/2870=15...(11) * HG2 LYS 58 + HD3 LYS 58 OK 91 100 - 91 - 3.0=81, 1.8/2870=15...(11) QB ALA 38 - HD2 LYS 58 lone 6 92 - 7 - 3.6/653=2 QB ALA 38 - HD3 LYS 58 lone 6 92 - 7 - 3.6/653=2 HG2 LYS 42 - HD3 LYS 58 lone 1 100 - 1 - HG2 LYS 42 - HD2 LYS 58 lone 1 100 - 1 - HG3 LYS 42 - HD3 LYS 58 lone 1 100 - 1 - HG3 LYS 42 - HD2 LYS 58 lone 1 100 - 1 - HG2 ARG 34 - HD3 LYS 58 lone 1 87 - 1 - HG2 ARG 34 - HD2 LYS 58 lone 1 87 - 1 - HG13 ILE 17 - HD3 LYS 58 lone 1 90 - 1 - HG13 ILE 17 - HD2 LYS 58 lone 1 90 - 1 - HD3 LYS 27 - HD3 LYS 58 lone 0 68 - 1 - HD3 LYS 27 - HD2 LYS 58 lone 0 68 - 1 - Peak 2888 from cnoeabs.peaks (1.45, 1.54, 29.10 ppm; 2.92 A): 2 out of 20 assignments used, quality = 1.00: HG3 LYS 58 + HD2 LYS 58 OK 99 100 - 99 - 3.0=97, 2869/1.8=17...(12) * HG3 LYS 58 + HD3 LYS 58 OK 99 100 - 99 - 3.0=97, 2869/1.8=17...(12) HG2 LYS 39 - HD3 LYS 58 lone 4 73 - 6 - 3.9/1990=1, 4.9/653=1 HG2 LYS 39 - HD2 LYS 58 lone 4 73 - 6 - 3.9/1990=1, 4.9/653=1 HG3 ARG 56 - HD2 LYS 58 lone 3 100 - 3 - HG3 ARG 56 - HD3 LYS 58 lone 3 100 - 3 - HB3 LEU 41 - HD3 LYS 58 lone 1 65 - 1 - HB3 LEU 41 - HD2 LYS 58 lone 1 65 - 1 - HB3 LEU 29 - HD2 LYS 58 lone 1 99 - 1 - HB3 LEU 29 - HD3 LYS 58 lone 1 99 - 1 - HG3 LYS 62 - HD2 LYS 58 lone 1 81 - 1 - HG2 LYS 62 - HD2 LYS 58 lone 1 81 - 1 - HG2 LYS 62 - HD3 LYS 58 lone 1 81 - 1 - HG3 LYS 62 - HD3 LYS 58 lone 1 81 - 1 - HG LEU 43 - HD2 LYS 58 lone 0 89 - 0 - HG LEU 43 - HD3 LYS 58 lone 0 89 - 0 - HG3 LYS 60 - HD2 LYS 58 lone 0 65 - 1 - HG3 LYS 60 - HD3 LYS 58 lone 0 65 - 1 - HG2 LYS 60 - HD2 LYS 58 lone 0 63 - 1 - HG2 LYS 60 - HD3 LYS 58 lone 0 63 - 1 - Peak 2889 from cnoeabs.peaks (1.54, 1.54, 29.10 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 58 + HD3 LYS 58 OK 100 100 - 100 HD2 LYS 58 + HD2 LYS 58 OK 100 100 - 100 Reference assignment not found: HD2 LYS 58 - HD3 LYS 58 Peak 2890 from cnoeabs.peaks (1.54, 1.54, 29.10 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 58 + HD3 LYS 58 OK 100 100 - 100 HD2 LYS 58 + HD2 LYS 58 OK 100 100 - 100 Peak 2891 from cnoeabs.peaks (2.87, 1.54, 29.10 ppm; 3.26 A): 4 out of 4 assignments used, quality = 1.00: HE3 LYS 58 + HD2 LYS 58 OK 100 100 - 100 - 3.0=100 HE3 LYS 58 + HD3 LYS 58 OK 100 100 - 100 - 3.0=100 HE2 LYS 58 + HD2 LYS 58 OK 100 100 - 100 - 3.0=100 * HE2 LYS 58 + HD3 LYS 58 OK 100 100 - 100 - 3.0=100 Peak 2892 from cnoeabs.peaks (2.87, 1.54, 29.10 ppm; 3.26 A): 4 out of 4 assignments used, quality = 1.00: HE3 LYS 58 + HD2 LYS 58 OK 100 100 - 100 - 3.0=100 * HE3 LYS 58 + HD3 LYS 58 OK 100 100 - 100 - 3.0=100 HE2 LYS 58 + HD2 LYS 58 OK 100 100 - 100 - 3.0=100 HE2 LYS 58 + HD3 LYS 58 OK 100 100 - 100 - 3.0=100 Peak 2897 from cnoeabs.peaks (1.36, 2.87, 41.78 ppm; 4.24 A): 2 out of 2 assignments used, quality = 1.00: HG2 LYS 58 + HE3 LYS 58 OK 100 100 - 100 - 3.9=100 * HG2 LYS 58 + HE2 LYS 58 OK 100 100 - 100 - 3.9=100 Peak 2898 from cnoeabs.peaks (1.45, 2.87, 41.78 ppm; 4.25 A): 2 out of 2 assignments used, quality = 1.00: HG3 LYS 58 + HE3 LYS 58 OK 100 100 - 100 - 3.9=100 * HG3 LYS 58 + HE2 LYS 58 OK 100 100 - 100 - 3.9=100 Peak 2899 from cnoeabs.peaks (1.54, 2.87, 41.78 ppm; 3.45 A): 4 out of 4 assignments used, quality = 1.00: HD3 LYS 58 + HE2 LYS 58 OK 100 100 - 100 - 3.0=100 HD3 LYS 58 + HE3 LYS 58 OK 100 100 - 100 - 3.0=100 * HD2 LYS 58 + HE2 LYS 58 OK 100 100 - 100 - 3.0=100 HD2 LYS 58 + HE3 LYS 58 OK 100 100 - 100 - 3.0=100 Peak 2900 from cnoeabs.peaks (1.54, 2.87, 41.78 ppm; 3.45 A): 4 out of 4 assignments used, quality = 1.00: * HD3 LYS 58 + HE2 LYS 58 OK 100 100 - 100 - 3.0=100 HD3 LYS 58 + HE3 LYS 58 OK 100 100 - 100 - 3.0=100 HD2 LYS 58 + HE2 LYS 58 OK 100 100 - 100 - 3.0=100 HD2 LYS 58 + HE3 LYS 58 OK 100 100 - 100 - 3.0=100 Peak 2901 from cnoeabs.peaks (2.87, 2.87, 41.78 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 58 + HE3 LYS 58 OK 100 100 - 100 * HE2 LYS 58 + HE2 LYS 58 OK 100 100 - 100 Peak 2902 from cnoeabs.peaks (2.87, 2.87, 41.78 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 58 + HE3 LYS 58 OK 100 100 - 100 HE2 LYS 58 + HE2 LYS 58 OK 100 100 - 100 Reference assignment not found: HE3 LYS 58 - HE2 LYS 58 Peak 2907 from cnoeabs.peaks (1.36, 2.87, 41.78 ppm; 4.24 A): 2 out of 2 assignments used, quality = 1.00: * HG2 LYS 58 + HE3 LYS 58 OK 100 100 - 100 - 3.9=100 HG2 LYS 58 + HE2 LYS 58 OK 100 100 - 100 - 3.9=100 Peak 2908 from cnoeabs.peaks (1.45, 2.87, 41.78 ppm; 4.25 A): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 58 + HE3 LYS 58 OK 100 100 - 100 - 3.9=100 HG3 LYS 58 + HE2 LYS 58 OK 100 100 - 100 - 3.9=100 Peak 2909 from cnoeabs.peaks (1.54, 2.87, 41.78 ppm; 3.45 A): 4 out of 4 assignments used, quality = 1.00: HD3 LYS 58 + HE2 LYS 58 OK 100 100 - 100 - 3.0=100 HD3 LYS 58 + HE3 LYS 58 OK 100 100 - 100 - 3.0=100 HD2 LYS 58 + HE2 LYS 58 OK 100 100 - 100 - 3.0=100 * HD2 LYS 58 + HE3 LYS 58 OK 100 100 - 100 - 3.0=100 Peak 2910 from cnoeabs.peaks (1.54, 2.87, 41.78 ppm; 3.45 A): 4 out of 4 assignments used, quality = 1.00: HD3 LYS 58 + HE2 LYS 58 OK 100 100 - 100 - 3.0=100 * HD3 LYS 58 + HE3 LYS 58 OK 100 100 - 100 - 3.0=100 HD2 LYS 58 + HE2 LYS 58 OK 100 100 - 100 - 3.0=100 HD2 LYS 58 + HE3 LYS 58 OK 100 100 - 100 - 3.0=100 Peak 2911 from cnoeabs.peaks (2.87, 2.87, 41.78 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 58 + HE3 LYS 58 OK 100 100 - 100 HE2 LYS 58 + HE2 LYS 58 OK 100 100 - 100 Reference assignment not found: HE2 LYS 58 - HE3 LYS 58 Peak 2912 from cnoeabs.peaks (2.87, 2.87, 41.78 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 58 + HE3 LYS 58 OK 100 100 - 100 HE2 LYS 58 + HE2 LYS 58 OK 100 100 - 100 Peak 2913 from cnoeabs.peaks (7.72, 4.26, 62.83 ppm; 4.19 A): 1 out of 1 assignment used, quality = 1.00: * H THR 59 + HA THR 59 OK 100 100 - 100 - 3.0=100 Peak 2914 from cnoeabs.peaks (4.26, 4.26, 62.83 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA THR 59 + HA THR 59 OK 100 100 - 100 Peak 2915 from cnoeabs.peaks (4.28, 4.26, 62.83 ppm; diagonal): 1 out of 1 assignment used, quality = 0.81: HA THR 59 + HA THR 59 OK 81 81 - 100 Reference assignment not found: HB THR 59 - HA THR 59 Peak 2916 from cnoeabs.peaks (1.29, 4.26, 62.83 ppm; 3.11 A): 1 out of 3 assignments used, quality = 0.93: * QG2 THR 59 + HA THR 59 OK 93 100 - 93 - 3.2=91, 797/3.0=19 QG2 THR 44 - HA THR 59 lone 1 97 - 1 - HG12 ILE 50 - HA THR 59 lone 1 100 - 1 - Peak 2917 from cnoeabs.peaks (7.72, 4.28, 69.66 ppm; 4.14 A): 1 out of 1 assignment used, quality = 1.00: * H THR 59 + HB THR 59 OK 100 100 - 100 - 4.0=100 Peak 2918 from cnoeabs.peaks (4.26, 4.28, 69.66 ppm; diagonal): 1 out of 1 assignment used, quality = 0.81: HB THR 59 + HB THR 59 OK 81 81 - 100 Reference assignment not found: HA THR 59 - HB THR 59 Peak 2919 from cnoeabs.peaks (4.28, 4.28, 69.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 59 + HB THR 59 OK 100 100 - 100 Peak 2920 from cnoeabs.peaks (1.29, 4.28, 69.66 ppm; 3.03 A): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 59 + HB THR 59 OK 100 100 - 100 - 2.1=100 Peak 2921 from cnoeabs.peaks (7.72, 1.29, 21.73 ppm; 4.25 A): 1 out of 1 assignment used, quality = 1.00: * H THR 59 + QG2 THR 59 OK 100 100 - 100 - 4.0=100 Peak 2922 from cnoeabs.peaks (4.26, 1.29, 21.73 ppm; 2.96 A): 1 out of 1 assignment used, quality = 0.81: HB THR 59 + QG2 THR 59 OK 81 81 - 100 - 2.1=100 Reference assignment not found: HA THR 59 - QG2 THR 59 Peak 2923 from cnoeabs.peaks (4.28, 1.29, 21.73 ppm; 2.80 A): 1 out of 1 assignment used, quality = 1.00: * HB THR 59 + QG2 THR 59 OK 100 100 - 100 - 2.1=100 Peak 2924 from cnoeabs.peaks (1.29, 1.29, 21.73 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QG2 THR 59 + QG2 THR 59 OK 100 100 - 100 QG2 THR 44 + QG2 THR 44 OK 83 83 - 100 Peak 2925 from cnoeabs.peaks (7.98, 4.26, 56.50 ppm; 4.37 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 60 + HA LYS 60 OK 100 100 - 100 - 3.0=100 Peak 2926 from cnoeabs.peaks (4.26, 4.26, 56.50 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA LYS 60 + HA LYS 60 OK 100 100 - 100 HA LYS 62 + HA LYS 62 OK 97 97 - 100 Peak 2927 from cnoeabs.peaks (1.83, 4.26, 56.50 ppm; 3.15 A): 2 out of 2 assignments used, quality = 1.00: * HB2 LYS 60 + HA LYS 60 OK 100 100 - 100 - 3.0=100 HB2 LYS 62 + HA LYS 62 OK 96 96 - 100 - 3.0=100 Peak 2928 from cnoeabs.peaks (1.78, 4.26, 56.50 ppm; 3.31 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 60 + HA LYS 60 OK 100 100 - 100 - 3.0=100 HB3 LYS 62 + HA LYS 62 OK 98 98 - 100 - 3.0=100 Peak 2929 from cnoeabs.peaks (1.43, 4.26, 56.50 ppm; 3.79 A): 4 out of 20 assignments used, quality = 1.00: * HG2 LYS 60 + HA LYS 60 OK 97 100 - 97 - 3.9=95, 802/3.0=9...(11) HG3 LYS 60 + HA LYS 60 OK 97 100 - 97 - 3.9=95, 802/3.0=9...(11) HG3 LYS 62 + HA LYS 62 OK 95 96 - 99 - 3.8=96, 4.8/334=17...(15) HG2 LYS 62 + HA LYS 62 OK 95 96 - 99 - 3.8=96, 4.8/334=17...(15) HG2 LYS 60 - HA LYS 62 OK 13 98 - 13 - ~819=2, 820/2.9=2...(6) HG3 LYS 60 - HA LYS 62 OK 13 98 - 13 - ~819=2, 820/2.9=2...(6) HG2 LYS 62 - HA LYS 60 lone 8 99 - 8 - 3.0/2931=1, 3.0/2931=1 HG3 LYS 62 - HA LYS 60 lone 8 99 - 8 - 3.0/2931=1, 3.0/2931=1 HG3 LYS 58 - HA LYS 62 lone 2 59 - 4 - HB3 LEU 41 - HA LYS 62 lone 2 98 - 2 - HB3 LEU 41 - HA LYS 60 lone 2 100 - 2 - HG2 LYS 39 - HA LYS 60 lone 2 100 - 1 - HG2 LYS 39 - HA LYS 62 lone 1 97 - 1 - HG3 LYS 58 - HA LYS 60 lone 1 63 - 2 - HB2 LYS 27 - HA LYS 60 lone 1 99 - 1 - HB2 LYS 27 - HA LYS 62 lone 1 95 - 1 - HG3 ARG 56 - HA LYS 62 lone 1 61 - 1 - HG3 LYS 49 - HA LYS 62 lone 1 59 - 1 - HG3 ARG 56 - HA LYS 60 lone 1 65 - 1 - HG3 LYS 49 - HA LYS 60 lone 1 63 - 1 - Peak 2930 from cnoeabs.peaks (1.43, 4.26, 56.50 ppm; 3.79 A): 4 out of 20 assignments used, quality = 1.00: * HG3 LYS 60 + HA LYS 60 OK 97 100 - 97 - 3.9=95, 802/3.0=9...(11) HG2 LYS 60 + HA LYS 60 OK 97 100 - 97 - 3.9=95, 802/3.0=9...(11) HG3 LYS 62 + HA LYS 62 OK 95 96 - 99 - 3.8=96, 4.8/334=17...(15) HG2 LYS 62 + HA LYS 62 OK 95 96 - 99 - 3.8=96, 4.8/334=17...(15) HG3 LYS 60 - HA LYS 62 OK 13 98 - 13 - ~819=2, 820/2.9=2...(6) HG2 LYS 60 - HA LYS 62 OK 13 98 - 13 - ~819=2, 820/2.9=2...(6) HG2 LYS 62 - HA LYS 60 lone 8 99 - 8 - 3.0/2931=1, 3.0/2931=1 HG3 LYS 62 - HA LYS 60 lone 8 99 - 8 - 3.0/2931=1, 3.0/2931=1 HG3 LYS 58 - HA LYS 62 lone 2 61 - 4 - HB3 LEU 41 - HA LYS 62 lone 2 98 - 2 - HB3 LEU 41 - HA LYS 60 lone 2 100 - 2 - HG2 LYS 39 - HA LYS 60 lone 2 100 - 1 - HG2 LYS 39 - HA LYS 62 lone 1 98 - 2 - HG3 LYS 58 - HA LYS 60 lone 1 65 - 2 - HB2 LYS 27 - HA LYS 60 lone 1 98 - 1 - HB2 LYS 27 - HA LYS 62 lone 1 95 - 1 - HG3 ARG 56 - HA LYS 62 lone 1 64 - 1 - HG3 LYS 49 - HA LYS 62 lone 1 56 - 1 - HG3 ARG 56 - HA LYS 60 lone 1 68 - 1 - HG3 LYS 49 - HA LYS 60 lone 1 60 - 1 - Peak 2931 from cnoeabs.peaks (1.67, 4.26, 56.50 ppm; 3.85 A): 4 out of 22 assignments used, quality = 1.00: HD2 LYS 62 + HA LYS 62 OK 79 98 - 81 - 5.0=46, 3124/3.0=9...(25) HD3 LYS 62 + HA LYS 62 OK 79 98 - 81 - 5.0=46, 3124/3.0=9...(25) * HD2 LYS 60 + HA LYS 60 OK 73 100 - 73 - 5.2=40, 2978/3.0=8...(22) HD3 LYS 60 + HA LYS 60 OK 73 100 - 73 - 5.2=40, 2978/3.0=8...(22) HD2 LYS 60 - HA LYS 62 OK 15 98 - 15 - 2976=2, 1.8/2976=1, 2978/3.0=1 HD3 LYS 60 - HA LYS 62 OK 15 98 - 15 - 2976=2, 1.8/2976=1, 3124/3.0=1 HD2 LYS 62 - HA LYS 60 OK 14 100 - 14 - 2976=2, 2978/3.0=1, 1.8/2976=1 HD3 LYS 62 - HA LYS 60 OK 14 100 - 14 - 2976=2, 3124/3.0=1, 1.8/2976=1 HG13 ILE 50 - HA LYS 60 lone 2 83 - 3 - 1.8/4881=2 HG3 LYS 22 - HA LYS 62 lone 2 96 - 2 - HG13 ILE 50 - HA LYS 62 lone 2 78 - 3 - 1.8/4881=2 HD3 LYS 42 - HA LYS 62 lone 2 92 - 2 - HB2 LEU 37 - HA LYS 62 lone 2 95 - 2 - HB2 LEU 37 - HA LYS 60 lone 2 99 - 2 - HD2 LYS 39 - HA LYS 60 lone 1 78 - 2 - HD3 LYS 39 - HA LYS 60 lone 1 78 - 2 - HD3 LYS 39 - HA LYS 62 lone 1 74 - 2 - HD2 LYS 39 - HA LYS 62 lone 1 74 - 2 - HB2 LEU 64 - HA LYS 62 lone 1 93 - 1 - HD3 LYS 42 - HA LYS 60 lone 1 96 - 1 - HG3 LYS 22 - HA LYS 60 lone 1 99 - 1 - HB2 LEU 64 - HA LYS 60 lone 1 97 - 1 - Peak 2932 from cnoeabs.peaks (1.67, 4.26, 56.50 ppm; 3.98 A): 4 out of 22 assignments used, quality = 1.00: HD2 LYS 62 + HA LYS 62 OK 82 98 - 84 - 5.0=51, 3134/3.0=10...(25) HD3 LYS 62 + HA LYS 62 OK 82 98 - 84 - 5.0=51, 3134/3.0=10...(25) * HD3 LYS 60 + HA LYS 60 OK 77 100 - 77 - 5.2=45, 2978/3.0=8...(22) HD2 LYS 60 + HA LYS 60 OK 77 100 - 77 - 5.2=45, 2978/3.0=8...(22) HD3 LYS 60 - HA LYS 62 OK 16 98 - 16 - 2976=2, 1.8/2976=1...(5) HD2 LYS 60 - HA LYS 62 OK 16 98 - 16 - 2976=2, 1.8/2976=1...(5) HD3 LYS 62 - HA LYS 60 OK 15 100 - 15 - 2976=2, 3134/3.0=1, 1.8/2976=1 HD2 LYS 62 - HA LYS 60 OK 15 100 - 15 - 2976=2, 3134/3.0=1, 1.8/2976=1 HG3 LYS 22 - HA LYS 62 lone 2 95 - 3 - HG13 ILE 50 - HA LYS 60 lone 2 78 - 3 - 1.8/4881=2 HD3 LYS 42 - HA LYS 62 lone 2 94 - 2 - HG13 ILE 50 - HA LYS 62 lone 2 74 - 3 - 1.8/4881=2 HB2 LEU 37 - HA LYS 62 lone 2 96 - 2 - HB2 LEU 37 - HA LYS 60 lone 2 99 - 2 - HD2 LYS 39 - HA LYS 60 lone 1 73 - 2 - HD3 LYS 39 - HA LYS 60 lone 1 73 - 2 - HD3 LYS 39 - HA LYS 62 lone 1 69 - 2 - HD2 LYS 39 - HA LYS 62 lone 1 69 - 2 - HB2 LEU 64 - HA LYS 62 lone 1 95 - 1 - HD3 LYS 42 - HA LYS 60 lone 1 97 - 1 - HG3 LYS 22 - HA LYS 60 lone 1 99 - 1 - HB2 LEU 64 - HA LYS 60 lone 1 98 - 1 - Peak 2935 from cnoeabs.peaks (7.98, 1.83, 32.76 ppm; 4.55 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 60 + HB2 LYS 60 OK 100 100 - 100 - 3.8=100 Peak 2936 from cnoeabs.peaks (4.26, 1.83, 32.76 ppm; 3.34 A): 2 out of 2 assignments used, quality = 1.00: * HA LYS 60 + HB2 LYS 60 OK 100 100 - 100 - 3.0=100 HA LYS 62 + HB2 LYS 62 OK 95 95 - 100 - 3.0=100 Peak 2938 from cnoeabs.peaks (1.78, 1.83, 32.76 ppm; 2.40 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 60 + HB2 LYS 60 OK 100 100 - 100 - 1.8=100 HB3 LYS 62 + HB2 LYS 62 OK 96 96 - 100 - 1.8=100 Peak 2939 from cnoeabs.peaks (1.43, 1.83, 32.76 ppm; 3.33 A): 4 out of 4 assignments used, quality = 1.00: * HG2 LYS 60 + HB2 LYS 60 OK 100 100 - 100 - 3.0=100 HG3 LYS 60 + HB2 LYS 60 OK 100 100 - 100 - 3.0=100 HG3 LYS 62 + HB2 LYS 62 OK 94 94 - 100 - 2.9=100 HG2 LYS 62 + HB2 LYS 62 OK 94 94 - 100 - 2.9=100 Peak 2940 from cnoeabs.peaks (1.43, 1.83, 32.76 ppm; 3.33 A): 4 out of 4 assignments used, quality = 1.00: * HG3 LYS 60 + HB2 LYS 60 OK 100 100 - 100 - 3.0=100 HG2 LYS 60 + HB2 LYS 60 OK 100 100 - 100 - 3.0=100 HG3 LYS 62 + HB2 LYS 62 OK 95 95 - 100 - 2.9=100 HG2 LYS 62 + HB2 LYS 62 OK 95 95 - 100 - 2.9=100 Peak 2941 from cnoeabs.peaks (1.67, 1.83, 32.76 ppm; 3.71 A): 4 out of 4 assignments used, quality = 1.00: * HD2 LYS 60 + HB2 LYS 60 OK 100 100 - 100 - 3.7=100 HD3 LYS 60 + HB2 LYS 60 OK 100 100 - 100 - 3.7=100 HD2 LYS 62 + HB2 LYS 62 OK 96 96 - 100 - 3.4=100 HD3 LYS 62 + HB2 LYS 62 OK 96 96 - 100 - 3.4=100 Peak 2942 from cnoeabs.peaks (1.67, 1.83, 32.76 ppm; 3.64 A): 2 out of 2 assignments used, quality = 1.00: HD2 LYS 62 + HB2 LYS 62 OK 96 96 - 100 - 3.4=100 HD3 LYS 62 + HB2 LYS 62 OK 96 96 - 100 - 3.4=100 Reference assignment not found: HD3 LYS 60 - HB2 LYS 60 Peak 2945 from cnoeabs.peaks (7.98, 1.78, 32.76 ppm; 4.24 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 60 + HB3 LYS 60 OK 100 100 - 100 - 3.8=100 Peak 2946 from cnoeabs.peaks (4.26, 1.78, 32.76 ppm; 3.24 A): 2 out of 2 assignments used, quality = 1.00: * HA LYS 60 + HB3 LYS 60 OK 100 100 - 100 - 3.0=100 HA LYS 62 + HB3 LYS 62 OK 99 99 - 100 - 3.0=100 Peak 2947 from cnoeabs.peaks (1.83, 1.78, 32.76 ppm; 2.40 A): 2 out of 2 assignments used, quality = 1.00: * HB2 LYS 60 + HB3 LYS 60 OK 100 100 - 100 - 1.8=100 HB2 LYS 62 + HB3 LYS 62 OK 98 98 - 100 - 1.8=100 Peak 2948 from cnoeabs.peaks (1.78, 1.78, 32.76 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 60 + HB3 LYS 60 OK 100 100 - 100 HB3 LYS 62 + HB3 LYS 62 OK 99 99 - 100 Peak 2949 from cnoeabs.peaks (1.43, 1.78, 32.76 ppm; 3.18 A): 4 out of 4 assignments used, quality = 1.00: * HG2 LYS 60 + HB3 LYS 60 OK 100 100 - 100 - 3.0=100 HG3 LYS 60 + HB3 LYS 60 OK 100 100 - 100 - 3.0=100 HG3 LYS 62 + HB3 LYS 62 OK 98 98 - 100 - 2.9=100 HG2 LYS 62 + HB3 LYS 62 OK 98 98 - 100 - 2.9=100 Peak 2950 from cnoeabs.peaks (1.43, 1.78, 32.76 ppm; 3.18 A): 4 out of 4 assignments used, quality = 1.00: * HG3 LYS 60 + HB3 LYS 60 OK 100 100 - 100 - 3.0=100 HG2 LYS 60 + HB3 LYS 60 OK 100 100 - 100 - 3.0=100 HG3 LYS 62 + HB3 LYS 62 OK 98 98 - 100 - 2.9=100 HG2 LYS 62 + HB3 LYS 62 OK 98 98 - 100 - 2.9=100 Peak 2951 from cnoeabs.peaks (1.67, 1.78, 32.76 ppm; 3.26 A): 4 out of 22 assignments used, quality = 1.00: HD2 LYS 62 + HB3 LYS 62 OK 94 99 - 95 - 3.4=85, 1.8/3134=10...(38) HD3 LYS 62 + HB3 LYS 62 OK 94 99 - 95 - 3.4=85, 1.8/3134=10...(38) * HD2 LYS 60 + HB3 LYS 60 OK 86 100 - 86 - 3.7=69, 1.8/2978=9...(33) HD3 LYS 60 + HB3 LYS 60 OK 86 100 - 86 - 3.7=69, 1.8/2978=9...(33) HD2 LYS 62 - HB3 LYS 60 OK 15 100 - 15 - 2978=2, 5.8/819=1, 1.8/2988=1 HD3 LYS 62 - HB3 LYS 60 OK 15 100 - 15 - 2988=2, 5.8/819=1, 1.8/2978=1 HD2 LYS 60 - HB3 LYS 62 OK 15 99 - 15 - 2978=1, 1.8/3134=1 HD3 LYS 60 - HB3 LYS 62 OK 15 99 - 15 - 3124=1, 1.8/2978=1 HD2 LYS 39 - HB3 LYS 62 lone 1 76 - 2 - HD3 LYS 39 - HB3 LYS 62 lone 1 76 - 2 - HB2 LEU 37 - HB3 LYS 62 lone 1 97 - 1 - HB2 LEU 37 - HB3 LYS 60 lone 1 99 - 1 - HG13 ILE 50 - HB3 LYS 60 lone 1 83 - 1 - HD3 LYS 39 - HB3 LYS 60 lone 1 78 - 1 - HD2 LYS 39 - HB3 LYS 60 lone 1 78 - 1 - HG13 ILE 50 - HB3 LYS 62 lone 1 81 - 1 - HD3 LYS 42 - HB3 LYS 62 lone 1 94 - 1 - HG3 LYS 22 - HB3 LYS 62 lone 1 98 - 1 - HD3 LYS 42 - HB3 LYS 60 lone 1 96 - 1 - HG3 LYS 22 - HB3 LYS 60 lone 1 99 - 1 - HB2 LEU 64 - HB3 LYS 62 lone 1 95 - 1 - HB2 LEU 64 - HB3 LYS 60 lone 1 97 - 1 - Peak 2952 from cnoeabs.peaks (1.67, 1.78, 32.76 ppm; 3.68 A): 2 out of 2 assignments used, quality = 1.00: HD2 LYS 62 + HB3 LYS 62 OK 99 99 - 100 - 3.4=100 HD3 LYS 62 + HB3 LYS 62 OK 99 99 - 100 - 3.4=100 Reference assignment not found: HD3 LYS 60 - HB3 LYS 60 Peak 2955 from cnoeabs.peaks (7.98, 1.43, 24.66 ppm; 5.08 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 60 + HG2 LYS 60 OK 100 100 - 100 - 4.9=100 H LYS 60 + HG3 LYS 60 OK 100 100 - 100 - 4.9=100 Peak 2956 from cnoeabs.peaks (4.26, 1.43, 24.66 ppm; 3.91 A): 4 out of 4 assignments used, quality = 1.00: * HA LYS 60 + HG2 LYS 60 OK 100 100 - 100 - 3.9=100 HA LYS 60 + HG3 LYS 60 OK 100 100 - 100 - 3.9=100 HA LYS 62 + HG3 LYS 62 OK 78 78 - 100 - 3.8=100 HA LYS 62 + HG2 LYS 62 OK 78 78 - 100 - 3.8=100 Peak 2957 from cnoeabs.peaks (1.83, 1.43, 24.66 ppm; 3.61 A): 4 out of 4 assignments used, quality = 1.00: * HB2 LYS 60 + HG2 LYS 60 OK 100 100 - 100 - 3.0=100 HB2 LYS 60 + HG3 LYS 60 OK 100 100 - 100 - 3.0=100 HB2 LYS 62 + HG3 LYS 62 OK 77 77 - 100 - 2.9=100 HB2 LYS 62 + HG2 LYS 62 OK 77 77 - 100 - 2.9=100 Peak 2958 from cnoeabs.peaks (1.78, 1.43, 24.66 ppm; 3.82 A): 4 out of 4 assignments used, quality = 1.00: * HB3 LYS 60 + HG2 LYS 60 OK 100 100 - 100 - 3.0=100 HB3 LYS 60 + HG3 LYS 60 OK 100 100 - 100 - 3.0=100 HB3 LYS 62 + HG3 LYS 62 OK 79 79 - 100 - 2.9=100 HB3 LYS 62 + HG2 LYS 62 OK 79 79 - 100 - 2.9=100 Peak 2959 from cnoeabs.peaks (1.43, 1.43, 24.66 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HG2 LYS 60 + HG2 LYS 60 OK 100 100 - 100 HG3 LYS 60 + HG3 LYS 60 OK 100 100 - 100 HG2 LYS 39 + HG2 LYS 39 OK 93 93 - 100 HG3 LYS 62 + HG3 LYS 62 OK 77 77 - 100 HG2 LYS 62 + HG2 LYS 62 OK 77 77 - 100 Peak 2960 from cnoeabs.peaks (1.43, 1.43, 24.66 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HG2 LYS 60 + HG2 LYS 60 OK 100 100 - 100 HG3 LYS 60 + HG3 LYS 60 OK 100 100 - 100 HG2 LYS 39 + HG2 LYS 39 OK 93 93 - 100 HG3 LYS 62 + HG3 LYS 62 OK 77 77 - 100 HG2 LYS 62 + HG2 LYS 62 OK 77 77 - 100 Reference assignment not found: HG3 LYS 60 - HG2 LYS 60 Peak 2961 from cnoeabs.peaks (1.67, 1.43, 24.66 ppm; 2.89 A): 10 out of 55 assignments used, quality = 1.00: * HD2 LYS 60 + HG2 LYS 60 OK 98 100 - 98 - 2.9=95, 2978/3.0=5...(27) HD2 LYS 60 + HG3 LYS 60 OK 98 100 - 98 - 2.9=95, 2978/3.0=5...(27) HD3 LYS 60 + HG2 LYS 60 OK 98 100 - 98 - 2.9=95, 2978/3.0=5...(27) HD3 LYS 60 + HG3 LYS 60 OK 98 100 - 98 - 2.9=95, 2978/3.0=5...(27) HD2 LYS 62 + HG2 LYS 62 OK 76 79 - 96 - 3.0=92, 3124/2.9=6...(29) HD2 LYS 62 + HG3 LYS 62 OK 76 79 - 96 - 3.0=92, 3124/2.9=6...(29) HD3 LYS 62 + HG2 LYS 62 OK 76 79 - 96 - 3.0=92, 3124/2.9=6...(29) HD3 LYS 62 + HG3 LYS 62 OK 76 79 - 96 - 3.0=92, 3124/2.9=6...(29) HD3 LYS 39 + HG2 LYS 39 OK 66 68 - 97 - 3.0=94, 2050/1.8=10...(17) HD2 LYS 39 + HG2 LYS 39 OK 66 68 - 97 - 3.0=94, 2040/1.8=10...(17) HD2 LYS 62 - HG3 LYS 60 OK 11 100 - 10 - HD3 LYS 62 - HG3 LYS 60 OK 11 100 - 10 - HD2 LYS 62 - HG2 LYS 60 OK 11 100 - 10 - HD3 LYS 62 - HG2 LYS 60 OK 11 100 - 10 - HD2 LYS 60 - HG2 LYS 62 lone 8 79 - 10 - HD2 LYS 60 - HG3 LYS 62 lone 8 79 - 10 - HD3 LYS 60 - HG3 LYS 62 lone 8 79 - 10 - HD3 LYS 60 - HG2 LYS 62 lone 8 79 - 10 - HB2 LEU 37 - HG2 LYS 39 lone 4 90 - 4 - ~1941=1, ~2026=1 HD2 LYS 62 - HG2 LYS 39 lone 3 93 - 3 - HD2 LYS 60 - HG2 LYS 39 lone 3 94 - 3 - HD3 LYS 62 - HG2 LYS 39 lone 3 93 - 3 - HD3 LYS 60 - HG2 LYS 39 lone 3 93 - 3 - HG3 LYS 22 - HG2 LYS 39 lone 3 92 - 3 - HD3 LYS 42 - HG2 LYS 39 lone 2 86 - 2 - HD3 LYS 39 - HG3 LYS 60 lone 1 78 - 2 - HD2 LYS 39 - HG3 LYS 60 lone 1 78 - 2 - HD3 LYS 39 - HG2 LYS 60 lone 1 78 - 2 - HD2 LYS 39 - HG2 LYS 60 lone 1 78 - 2 - HD3 LYS 39 - HG2 LYS 62 lone 1 55 - 2 - HD2 LYS 39 - HG3 LYS 62 lone 1 55 - 2 - HD2 LYS 39 - HG2 LYS 62 lone 1 55 - 2 - HD3 LYS 39 - HG3 LYS 62 lone 1 55 - 2 - HG13 ILE 50 - HG2 LYS 39 lone 1 73 - 1 - HB2 LEU 37 - HG3 LYS 60 lone 1 99 - 1 - HB2 LEU 37 - HG2 LYS 60 lone 1 99 - 1 - HB2 LEU 37 - HG2 LYS 62 lone 1 76 - 1 - HB2 LEU 37 - HG3 LYS 62 lone 1 76 - 1 - HD3 LYS 42 - HG2 LYS 60 lone 1 96 - 1 - HD3 LYS 42 - HG3 LYS 60 lone 1 96 - 1 - HD3 LYS 42 - HG2 LYS 62 lone 1 72 - 1 - HD3 LYS 42 - HG3 LYS 62 lone 1 72 - 1 - HG3 LYS 22 - HG3 LYS 60 lone 1 99 - 1 - HG3 LYS 22 - HG2 LYS 60 lone 1 99 - 1 - HG3 LYS 22 - HG2 LYS 62 lone 1 77 - 1 - HG3 LYS 22 - HG3 LYS 62 lone 1 77 - 1 - HG13 ILE 50 - HG2 LYS 60 lone 0 83 - 1 - HG13 ILE 50 - HG3 LYS 60 lone 0 83 - 1 - HB2 LEU 64 - HG2 LYS 60 lone 0 97 - 0 - HB2 LEU 64 - HG3 LYS 60 lone 0 96 - 0 - HB2 LEU 64 - HG2 LYS 39 lone 0 87 - 0 - HB2 LEU 64 - HG2 LYS 62 lone 0 73 - 0 - HB2 LEU 64 - HG3 LYS 62 lone 0 73 - 0 - HG13 ILE 50 - HG2 LYS 62 lone 0 59 - 1 - HG13 ILE 50 - HG3 LYS 62 lone 0 59 - 1 - Peak 2962 from cnoeabs.peaks (1.67, 1.43, 24.66 ppm; 2.89 A): 10 out of 55 assignments used, quality = 1.00: * HD3 LYS 60 + HG2 LYS 60 OK 98 100 - 98 - 2.9=95, 2978/3.0=5...(27) HD3 LYS 60 + HG3 LYS 60 OK 98 100 - 98 - 2.9=95, 2978/3.0=5...(27) HD2 LYS 60 + HG2 LYS 60 OK 98 100 - 98 - 2.9=95, 2978/3.0=5...(27) HD2 LYS 60 + HG3 LYS 60 OK 98 100 - 98 - 2.9=95, 2978/3.0=5...(27) HD2 LYS 62 + HG2 LYS 62 OK 76 79 - 96 - 3.0=92, 3134/2.9=6...(29) HD2 LYS 62 + HG3 LYS 62 OK 76 79 - 96 - 3.0=92, 3134/2.9=6...(29) HD3 LYS 62 + HG2 LYS 62 OK 76 79 - 96 - 3.0=92, 3134/2.9=6...(29) HD3 LYS 62 + HG3 LYS 62 OK 76 79 - 96 - 3.0=92, 3134/2.9=6...(29) HD2 LYS 39 + HG2 LYS 39 OK 62 64 - 97 - 3.0=94, 2040/1.8=9...(17) HD3 LYS 39 + HG2 LYS 39 OK 62 64 - 97 - 3.0=94, 2040/1.8=9...(17) HD3 LYS 62 - HG3 LYS 60 OK 11 100 - 10 - HD2 LYS 62 - HG3 LYS 60 OK 11 100 - 10 - HD3 LYS 62 - HG2 LYS 60 OK 11 100 - 10 - HD2 LYS 62 - HG2 LYS 60 OK 11 100 - 10 - HD3 LYS 60 - HG3 LYS 62 lone 8 79 - 10 - HD3 LYS 60 - HG2 LYS 62 lone 8 79 - 10 - HD2 LYS 60 - HG2 LYS 62 lone 8 79 - 10 - HD2 LYS 60 - HG3 LYS 62 lone 8 79 - 10 - HB2 LEU 37 - HG2 LYS 39 lone 4 92 - 4 - ~1941=1, ~2026=1 HD2 LYS 62 - HG2 LYS 39 lone 3 94 - 3 - HD3 LYS 62 - HG2 LYS 39 lone 3 93 - 3 - HD3 LYS 60 - HG2 LYS 39 lone 3 94 - 3 - HD2 LYS 60 - HG2 LYS 39 lone 3 93 - 3 - HG3 LYS 22 - HG2 LYS 39 lone 3 90 - 3 - HD3 LYS 42 - HG2 LYS 39 lone 2 89 - 2 - HD3 LYS 39 - HG2 LYS 60 lone 1 73 - 2 - HD2 LYS 39 - HG2 LYS 60 lone 1 73 - 2 - HD3 LYS 39 - HG3 LYS 60 lone 1 73 - 2 - HD2 LYS 39 - HG3 LYS 60 lone 1 73 - 2 - HD3 LYS 39 - HG2 LYS 62 lone 1 51 - 2 - HD2 LYS 39 - HG3 LYS 62 lone 1 51 - 2 - HD2 LYS 39 - HG2 LYS 62 lone 1 51 - 2 - HD3 LYS 39 - HG3 LYS 62 lone 1 51 - 2 - HG13 ILE 50 - HG2 LYS 39 lone 1 68 - 1 - HB2 LEU 37 - HG3 LYS 60 lone 1 99 - 1 - HB2 LEU 37 - HG2 LYS 60 lone 1 99 - 1 - HB2 LEU 37 - HG2 LYS 62 lone 1 77 - 1 - HB2 LEU 37 - HG3 LYS 62 lone 1 77 - 1 - HD3 LYS 42 - HG3 LYS 60 lone 1 97 - 1 - HD3 LYS 42 - HG2 LYS 60 lone 1 97 - 1 - HD3 LYS 42 - HG3 LYS 62 lone 1 74 - 1 - HD3 LYS 42 - HG2 LYS 62 lone 1 74 - 1 - HG3 LYS 22 - HG3 LYS 60 lone 1 99 - 1 - HG3 LYS 22 - HG2 LYS 60 lone 1 99 - 1 - HG3 LYS 22 - HG2 LYS 62 lone 1 76 - 1 - HG3 LYS 22 - HG3 LYS 62 lone 1 76 - 1 - HB2 LEU 64 - HG2 LYS 60 lone 0 98 - 0 - HB2 LEU 64 - HG3 LYS 60 lone 0 98 - 0 - HG13 ILE 50 - HG2 LYS 60 lone 0 78 - 1 - HG13 ILE 50 - HG3 LYS 60 lone 0 78 - 1 - HB2 LEU 64 - HG2 LYS 39 lone 0 90 - 0 - HB2 LEU 64 - HG3 LYS 62 lone 0 75 - 0 - HB2 LEU 64 - HG2 LYS 62 lone 0 75 - 0 - HG13 ILE 50 - HG3 LYS 62 lone 0 55 - 1 - HG13 ILE 50 - HG2 LYS 62 lone 0 55 - 1 - Peak 2963 from cnoeabs.peaks (2.98, 1.43, 24.66 ppm; 3.68 A): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 39 + HG2 LYS 39 OK 93 93 - 100 - 3.6=100 HE2 LYS 39 + HG2 LYS 39 OK 93 93 - 100 - 3.6=100 Reference assignment not found: HE2 LYS 60 - HG2 LYS 60 Peak 2964 from cnoeabs.peaks (2.98, 1.43, 24.66 ppm; 3.68 A): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 39 + HG2 LYS 39 OK 93 93 - 100 - 3.6=100 HE2 LYS 39 + HG2 LYS 39 OK 93 93 - 100 - 3.6=100 Reference assignment not found: HE3 LYS 60 - HG2 LYS 60 Peak 2965 from cnoeabs.peaks (7.98, 1.43, 24.66 ppm; 5.21 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 60 + HG3 LYS 60 OK 100 100 - 100 - 4.9=100 H LYS 60 + HG2 LYS 60 OK 100 100 - 100 - 4.9=100 Peak 2966 from cnoeabs.peaks (4.26, 1.43, 24.66 ppm; 3.95 A): 4 out of 4 assignments used, quality = 1.00: * HA LYS 60 + HG3 LYS 60 OK 100 100 - 100 - 3.9=100 HA LYS 60 + HG2 LYS 60 OK 100 100 - 100 - 3.9=100 HA LYS 62 + HG3 LYS 62 OK 79 79 - 100 - 3.8=100 HA LYS 62 + HG2 LYS 62 OK 79 79 - 100 - 3.8=100 Peak 2967 from cnoeabs.peaks (1.83, 1.43, 24.66 ppm; 3.61 A): 4 out of 4 assignments used, quality = 1.00: * HB2 LYS 60 + HG3 LYS 60 OK 100 100 - 100 - 3.0=100 HB2 LYS 60 + HG2 LYS 60 OK 100 100 - 100 - 3.0=100 HB2 LYS 62 + HG3 LYS 62 OK 78 78 - 100 - 2.9=100 HB2 LYS 62 + HG2 LYS 62 OK 78 78 - 100 - 2.9=100 Peak 2968 from cnoeabs.peaks (1.78, 1.43, 24.66 ppm; 3.68 A): 4 out of 4 assignments used, quality = 1.00: * HB3 LYS 60 + HG3 LYS 60 OK 100 100 - 100 - 3.0=100 HB3 LYS 60 + HG2 LYS 60 OK 100 100 - 100 - 3.0=100 HB3 LYS 62 + HG3 LYS 62 OK 80 80 - 100 - 2.9=100 HB3 LYS 62 + HG2 LYS 62 OK 80 80 - 100 - 2.9=100 Peak 2969 from cnoeabs.peaks (1.43, 1.43, 24.66 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HG3 LYS 60 + HG3 LYS 60 OK 100 100 - 100 HG2 LYS 60 + HG2 LYS 60 OK 100 100 - 100 HG2 LYS 39 + HG2 LYS 39 OK 94 94 - 100 HG3 LYS 62 + HG3 LYS 62 OK 78 78 - 100 HG2 LYS 62 + HG2 LYS 62 OK 78 78 - 100 Reference assignment not found: HG2 LYS 60 - HG3 LYS 60 Peak 2970 from cnoeabs.peaks (1.43, 1.43, 24.66 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HG3 LYS 60 + HG3 LYS 60 OK 100 100 - 100 HG2 LYS 60 + HG2 LYS 60 OK 100 100 - 100 HG2 LYS 39 + HG2 LYS 39 OK 94 94 - 100 HG3 LYS 62 + HG3 LYS 62 OK 79 79 - 100 HG2 LYS 62 + HG2 LYS 62 OK 79 79 - 100 Peak 2971 from cnoeabs.peaks (1.67, 1.43, 24.66 ppm; 3.09 A): 10 out of 10 assignments used, quality = 1.00: * HD2 LYS 60 + HG3 LYS 60 OK 100 100 - 100 - 2.9=100 HD2 LYS 60 + HG2 LYS 60 OK 100 100 - 100 - 2.9=100 HD3 LYS 60 + HG3 LYS 60 OK 100 100 - 100 - 2.9=100 HD3 LYS 60 + HG2 LYS 60 OK 100 100 - 100 - 2.9=100 HD2 LYS 62 + HG2 LYS 62 OK 81 81 - 100 - 3.0=100 HD2 LYS 62 + HG3 LYS 62 OK 81 81 - 100 - 3.0=100 HD3 LYS 62 + HG2 LYS 62 OK 80 80 - 100 - 3.0=100 HD3 LYS 62 + HG3 LYS 62 OK 80 80 - 100 - 3.0=100 HD2 LYS 39 + HG2 LYS 39 OK 69 69 - 100 - 3.0=100 HD3 LYS 39 + HG2 LYS 39 OK 69 69 - 100 - 3.0=100 Peak 2972 from cnoeabs.peaks (1.67, 1.43, 24.66 ppm; 3.04 A): 10 out of 10 assignments used, quality = 1.00: * HD3 LYS 60 + HG3 LYS 60 OK 100 100 - 100 - 2.9=100 HD3 LYS 60 + HG2 LYS 60 OK 100 100 - 100 - 2.9=100 HD2 LYS 60 + HG3 LYS 60 OK 100 100 - 100 - 2.9=100 HD2 LYS 60 + HG2 LYS 60 OK 100 100 - 100 - 2.9=100 HD2 LYS 62 + HG2 LYS 62 OK 81 81 - 100 - 3.0=100 HD2 LYS 62 + HG3 LYS 62 OK 81 81 - 100 - 3.0=100 HD3 LYS 62 + HG3 LYS 62 OK 81 81 - 100 - 3.0=100 HD3 LYS 62 + HG2 LYS 62 OK 81 81 - 100 - 3.0=100 HD3 LYS 39 + HG2 LYS 39 OK 64 64 - 100 - 3.0=100 HD2 LYS 39 + HG2 LYS 39 OK 64 64 - 100 - 3.0=100 Peak 2973 from cnoeabs.peaks (2.98, 1.43, 24.66 ppm; 3.82 A): 6 out of 6 assignments used, quality = 1.00: HE3 LYS 39 + HG2 LYS 39 OK 94 94 - 100 - 3.6=100 HE2 LYS 39 + HG2 LYS 39 OK 94 94 - 100 - 3.6=100 HE2 LYS 62 + HG3 LYS 62 OK 81 81 - 100 - 3.7=100 HE2 LYS 62 + HG2 LYS 62 OK 81 81 - 100 - 3.7=100 HE3 LYS 62 + HG3 LYS 62 OK 80 80 - 100 - 3.7=100 HE3 LYS 62 + HG2 LYS 62 OK 80 80 - 100 - 3.7=100 Reference assignment not found: HE2 LYS 60 - HG3 LYS 60 Peak 2974 from cnoeabs.peaks (2.98, 1.43, 24.66 ppm; 3.82 A): 6 out of 6 assignments used, quality = 1.00: HE3 LYS 39 + HG2 LYS 39 OK 94 94 - 100 - 3.6=100 HE2 LYS 39 + HG2 LYS 39 OK 94 94 - 100 - 3.6=100 HE2 LYS 62 + HG3 LYS 62 OK 81 81 - 100 - 3.7=100 HE2 LYS 62 + HG2 LYS 62 OK 81 81 - 100 - 3.7=100 HE3 LYS 62 + HG3 LYS 62 OK 80 80 - 100 - 3.7=100 HE3 LYS 62 + HG2 LYS 62 OK 80 80 - 100 - 3.7=100 Reference assignment not found: HE3 LYS 60 - HG3 LYS 60 Peak 2976 from cnoeabs.peaks (4.26, 1.67, 28.78 ppm; 3.98 A): 4 out of 25 assignments used, quality = 1.00: HA LYS 62 + HD2 LYS 62 OK 84 99 - 84 - 5.0=51, 3.0/2978=10...(25) HA LYS 62 + HD3 LYS 62 OK 84 99 - 84 - 5.0=51, 3.0/3124=10...(25) * HA LYS 60 + HD2 LYS 60 OK 77 100 - 77 - 5.2=44, 3.0/2978=8...(22) HA LYS 60 + HD3 LYS 60 OK 77 100 - 77 - 5.2=44, 3.0/2978=8...(22) HA LYS 62 - HD2 LYS 60 OK 17 100 - 17 - 2932=2, 2931/1.8=2...(5) HA LYS 62 - HD3 LYS 60 OK 17 99 - 17 - 2932=2, 2931/1.8=2...(5) HA LYS 60 - HD2 LYS 62 OK 16 100 - 15 - 2932=2, 2931/1.8=1, 3.0/2978=1 HA LYS 60 - HD3 LYS 62 OK 16 100 - 15 - 2932=2, 2931/1.8=1, 3.0/2978=1 HA THR 59 - HD2 LYS 62 OK 15 100 - 15 - 4681/3.4=14 HA THR 59 - HD3 LYS 62 OK 15 100 - 15 - 4681/3.4=14 HA THR 59 - HD2 LYS 60 lone 8 100 - 8 - 4681/3.7=7 HA THR 59 - HD3 LYS 60 lone 8 100 - 8 - 4681/3.7=7 HB THR 59 - HD2 LYS 62 lone 6 86 - 7 - ~4681=6 HB THR 59 - HD3 LYS 62 lone 6 86 - 7 - ~4681=6 HA ARG 61 - HD2 LYS 62 lone 5 80 - 7 - ~318=2 HA ARG 61 - HD3 LYS 62 lone 5 80 - 7 - ~318=2 HA THR 59 - HD3 LYS 42 lone 4 66 - 5 - ~305=1, ~3591=1, ~304=1 HA ARG 61 - HD2 LYS 60 lone 2 81 - 3 - HA ARG 61 - HD3 LYS 60 lone 2 80 - 3 - HA LYS 62 - HD3 LYS 42 lone 2 65 - 2 - HB THR 59 - HD3 LYS 42 lone 1 52 - 2 - HB THR 59 - HD2 LYS 60 lone 1 87 - 1 - HB THR 59 - HD3 LYS 60 lone 1 86 - 1 - HA LYS 60 - HD3 LYS 42 lone 1 67 - 1 - HA ARG 61 - HD3 LYS 42 lone 1 47 - 1 - Peak 2977 from cnoeabs.peaks (1.83, 1.67, 28.78 ppm; 4.39 A): 4 out of 4 assignments used, quality = 1.00: * HB2 LYS 60 + HD2 LYS 60 OK 100 100 - 100 - 3.7=100 HB2 LYS 60 + HD3 LYS 60 OK 100 100 - 100 - 3.7=100 HB2 LYS 62 + HD2 LYS 62 OK 99 99 - 100 - 3.4=100 HB2 LYS 62 + HD3 LYS 62 OK 98 98 - 100 - 3.4=100 Peak 2978 from cnoeabs.peaks (1.78, 1.67, 28.78 ppm; 2.59 A): 4 out of 20 assignments used, quality = 0.98: HB3 LYS 62 + HD2 LYS 62 OK 66 100 - 67 - 3.4=43, 2951/1.8=5...(20) HB3 LYS 62 + HD3 LYS 62 OK 66 100 - 67 - 3.4=43, 2951/1.8=5...(20) * HB3 LYS 60 + HD2 LYS 60 OK 58 100 - 58 - 3.7=34, 2951/1.8=4...(19) HB3 LYS 60 + HD3 LYS 60 OK 58 100 - 58 - 3.7=34, 2951/1.8=4...(19) HB3 LYS 60 - HD2 LYS 62 lone 9 100 - 9 - HB3 LYS 60 - HD3 LYS 62 lone 9 100 - 9 - HB3 LYS 62 - HD2 LYS 60 lone 9 100 - 8 - HB3 LYS 62 - HD3 LYS 60 lone 8 100 - 8 - HB2 LYS 58 - HD2 LYS 62 lone 0 73 - 1 - HB2 LYS 58 - HD3 LYS 62 lone 0 72 - 1 - HB2 PRO 32 - HD2 LYS 62 lone 0 86 - 0 - HB2 PRO 32 - HD3 LYS 62 lone 0 86 - 0 - HB2 LYS 58 - HD2 LYS 60 lone 0 73 - 0 - HB2 LYS 58 - HD3 LYS 60 lone 0 73 - 0 - HB2 PRO 32 - HD2 LYS 60 lone 0 87 - 0 - HB2 PRO 32 - HD3 LYS 60 lone 0 86 - 0 - HB3 LYS 62 - HD3 LYS 42 lone 0 66 - 0 - HB3 LYS 60 - HD3 LYS 42 lone 0 67 - 0 - HB2 LYS 58 - HD3 LYS 42 lone 0 42 - 1 - HB2 PRO 32 - HD3 LYS 42 lone 0 52 - 0 - Peak 2979 from cnoeabs.peaks (1.43, 1.67, 28.78 ppm; 2.87 A): 8 out of 50 assignments used, quality = 1.00: HG3 LYS 60 + HD2 LYS 60 OK 96 100 - 96 - 2.9=93, 3.0/2978=5...(21) * HG2 LYS 60 + HD2 LYS 60 OK 96 100 - 96 - 2.9=93, 3.0/2978=5...(21) HG2 LYS 60 + HD3 LYS 60 OK 96 100 - 96 - 2.9=93, 3.0/2978=5...(21) HG3 LYS 60 + HD3 LYS 60 OK 96 100 - 96 - 2.9=93, 3.0/2978=5...(21) HG2 LYS 62 + HD2 LYS 62 OK 94 99 - 95 - 3.0=91, 2.9/2978=6...(21) HG3 LYS 62 + HD2 LYS 62 OK 94 99 - 95 - 3.0=91, 2.9/2978=6...(21) HG2 LYS 62 + HD3 LYS 62 OK 93 98 - 95 - 3.0=91, 2.9/3124=6...(21) HG3 LYS 62 + HD3 LYS 62 OK 93 98 - 95 - 3.0=91, 2.9/3124=6...(21) HG3 LYS 60 - HD2 LYS 62 lone 9 100 - 9 - HG2 LYS 60 - HD2 LYS 62 lone 9 100 - 9 - HG3 LYS 60 - HD3 LYS 62 lone 9 100 - 9 - HG2 LYS 60 - HD3 LYS 62 lone 9 100 - 9 - HG2 LYS 62 - HD2 LYS 60 lone 8 99 - 8 - HG3 LYS 62 - HD2 LYS 60 lone 8 99 - 8 - HG2 LYS 62 - HD3 LYS 60 lone 8 99 - 8 - HG3 LYS 62 - HD3 LYS 60 lone 8 99 - 8 - HB3 LEU 41 - HD3 LYS 42 lone 4 67 - 6 - 4.6/678=3, 4461/3.0=1 HG2 LYS 39 - HD2 LYS 60 lone 3 100 - 3 - HG2 LYS 39 - HD2 LYS 62 lone 3 100 - 3 - HG2 LYS 39 - HD3 LYS 62 lone 3 99 - 3 - HG2 LYS 39 - HD3 LYS 60 lone 3 100 - 3 - HB3 LEU 41 - HD2 LYS 62 lone 1 100 - 1 - HB3 LEU 41 - HD3 LYS 62 lone 1 100 - 1 - HG2 LYS 39 - HD3 LYS 42 lone 1 66 - 2 - HB3 LEU 41 - HD3 LYS 60 lone 1 100 - 1 - HB3 LEU 41 - HD2 LYS 60 lone 1 100 - 1 - HG3 LYS 49 - HD3 LYS 42 lone 1 35 - 2 - HG3 LYS 49 - HD2 LYS 60 lone 1 63 - 1 - HG3 LYS 49 - HD3 LYS 60 lone 1 62 - 1 - HG3 LYS 49 - HD2 LYS 62 lone 1 62 - 1 - HG3 LYS 49 - HD3 LYS 62 lone 1 62 - 1 - HB2 LYS 27 - HD2 LYS 60 lone 1 99 - 1 - HB2 LYS 27 - HD3 LYS 60 lone 1 98 - 1 - HB2 LYS 27 - HD2 LYS 62 lone 0 98 - 1 - HG3 LYS 62 - HD3 LYS 42 lone 1 64 - 1 - HG2 LYS 62 - HD3 LYS 42 lone 1 64 - 1 - HG3 LYS 58 - HD2 LYS 62 lone 1 62 - 1 - HB2 LYS 27 - HD3 LYS 62 lone 0 98 - 1 - HG3 LYS 58 - HD3 LYS 62 lone 1 62 - 1 - HG3 LYS 58 - HD2 LYS 60 lone 0 63 - 1 - HG3 LYS 58 - HD3 LYS 60 lone 0 62 - 1 - HG2 LYS 60 - HD3 LYS 42 lone 0 67 - 1 - HG3 LYS 60 - HD3 LYS 42 lone 0 67 - 1 - HB2 LYS 27 - HD3 LYS 42 lone 0 64 - 1 - HG3 ARG 56 - HD2 LYS 62 lone 0 65 - 1 - HG3 ARG 56 - HD3 LYS 62 lone 0 64 - 1 - HG3 LYS 58 - HD3 LYS 42 lone 0 35 - 1 - HG3 ARG 56 - HD2 LYS 60 lone 0 65 - 0 - HG3 ARG 56 - HD3 LYS 60 lone 0 65 - 0 - HG3 ARG 56 - HD3 LYS 42 lone 0 36 - 1 - Peak 2980 from cnoeabs.peaks (1.43, 1.67, 28.78 ppm; 2.87 A): 8 out of 50 assignments used, quality = 1.00: * HG3 LYS 60 + HD2 LYS 60 OK 96 100 - 96 - 2.9=93, 3.0/2978=5...(21) HG2 LYS 60 + HD2 LYS 60 OK 96 100 - 96 - 2.9=93, 3.0/2978=5...(21) HG3 LYS 60 + HD3 LYS 60 OK 96 100 - 96 - 2.9=93, 3.0/2978=5...(21) HG2 LYS 60 + HD3 LYS 60 OK 96 100 - 96 - 2.9=93, 3.0/2978=5...(21) HG2 LYS 62 + HD2 LYS 62 OK 94 99 - 95 - 3.0=91, 2.9/2978=6...(21) HG3 LYS 62 + HD2 LYS 62 OK 94 99 - 95 - 3.0=91, 2.9/2978=6...(21) HG2 LYS 62 + HD3 LYS 62 OK 94 99 - 95 - 3.0=91, 2.9/3124=6...(21) HG3 LYS 62 + HD3 LYS 62 OK 94 99 - 95 - 3.0=91, 2.9/3124=6...(21) HG3 LYS 60 - HD2 LYS 62 lone 9 100 - 9 - HG2 LYS 60 - HD2 LYS 62 lone 9 100 - 9 - HG3 LYS 60 - HD3 LYS 62 lone 9 100 - 9 - HG2 LYS 60 - HD3 LYS 62 lone 9 100 - 9 - HG2 LYS 62 - HD2 LYS 60 lone 8 99 - 8 - HG3 LYS 62 - HD2 LYS 60 lone 8 99 - 8 - HG2 LYS 62 - HD3 LYS 60 lone 8 99 - 8 - HG3 LYS 62 - HD3 LYS 60 lone 8 99 - 8 - HB3 LEU 41 - HD3 LYS 42 lone 4 67 - 7 - 4.6/678=3, 4461/3.0=1 HG2 LYS 39 - HD2 LYS 62 lone 3 100 - 3 - HG2 LYS 39 - HD2 LYS 60 lone 3 100 - 3 - HG2 LYS 39 - HD3 LYS 62 lone 3 100 - 3 - HG2 LYS 39 - HD3 LYS 60 lone 3 100 - 3 - HB3 LEU 41 - HD2 LYS 62 lone 1 100 - 1 - HB3 LEU 41 - HD3 LYS 62 lone 1 100 - 1 - HG2 LYS 39 - HD3 LYS 42 lone 1 66 - 2 - HB3 LEU 41 - HD3 LYS 60 lone 1 100 - 1 - HB3 LEU 41 - HD2 LYS 60 lone 1 100 - 1 - HG3 LYS 49 - HD3 LYS 42 lone 1 33 - 2 - HG3 LYS 49 - HD2 LYS 60 lone 1 60 - 1 - HG3 LYS 58 - HD2 LYS 62 lone 1 65 - 1 - HG3 LYS 49 - HD3 LYS 60 lone 1 60 - 1 - HG3 LYS 58 - HD3 LYS 62 lone 1 64 - 1 - HG3 LYS 62 - HD3 LYS 42 lone 1 65 - 1 - HG2 LYS 62 - HD3 LYS 42 lone 1 65 - 1 - HB2 LYS 27 - HD2 LYS 60 lone 0 98 - 1 - HB2 LYS 27 - HD3 LYS 60 lone 0 98 - 1 - HB2 LYS 27 - HD2 LYS 62 lone 0 98 - 1 - HB2 LYS 27 - HD3 LYS 62 lone 0 97 - 1 - HG3 LYS 49 - HD2 LYS 62 lone 1 60 - 1 - HG3 LYS 49 - HD3 LYS 62 lone 1 59 - 1 - HG3 LYS 58 - HD2 LYS 60 lone 1 65 - 1 - HG3 LYS 58 - HD3 LYS 60 lone 1 65 - 1 - HG3 LYS 60 - HD3 LYS 42 lone 0 67 - 1 - HG2 LYS 60 - HD3 LYS 42 lone 0 67 - 1 - HB2 LYS 27 - HD3 LYS 42 lone 0 63 - 1 - HG3 ARG 56 - HD2 LYS 62 lone 0 68 - 1 - HG3 ARG 56 - HD3 LYS 62 lone 0 67 - 1 - HG3 LYS 58 - HD3 LYS 42 lone 0 36 - 1 - HG3 ARG 56 - HD2 LYS 60 lone 0 68 - 0 - HG3 ARG 56 - HD3 LYS 60 lone 0 68 - 0 - HG3 ARG 56 - HD3 LYS 42 lone 0 38 - 1 - Peak 2981 from cnoeabs.peaks (1.67, 1.67, 28.78 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HD2 LYS 60 + HD2 LYS 60 OK 100 100 - 100 HD2 LYS 62 + HD2 LYS 62 OK 100 100 - 100 HD3 LYS 60 + HD3 LYS 60 OK 100 100 - 100 HD3 LYS 62 + HD3 LYS 62 OK 100 100 - 100 HD3 LYS 42 + HD3 LYS 42 OK 60 60 - 100 Peak 2982 from cnoeabs.peaks (1.67, 1.67, 28.78 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HD2 LYS 60 + HD2 LYS 60 OK 100 100 - 100 HD2 LYS 62 + HD2 LYS 62 OK 100 100 - 100 HD3 LYS 60 + HD3 LYS 60 OK 100 100 - 100 HD3 LYS 62 + HD3 LYS 62 OK 100 100 - 100 HD3 LYS 42 + HD3 LYS 42 OK 62 62 - 100 Reference assignment not found: HD3 LYS 60 - HD2 LYS 60 Peak 2983 from cnoeabs.peaks (2.98, 1.67, 28.78 ppm; 2.98 A): 8 out of 8 assignments used, quality = 1.00: * HE2 LYS 60 + HD2 LYS 60 OK 100 100 - 100 - 3.0=100 HE3 LYS 60 + HD2 LYS 60 OK 100 100 - 100 - 3.0=100 HE2 LYS 60 + HD3 LYS 60 OK 100 100 - 100 - 3.0=100 HE2 LYS 62 + HD2 LYS 62 OK 100 100 - 100 - 3.0=100 HE3 LYS 60 + HD3 LYS 60 OK 100 100 - 100 - 3.0=100 HE2 LYS 62 + HD3 LYS 62 OK 100 100 - 100 - 3.0=100 HE3 LYS 62 + HD2 LYS 62 OK 100 100 - 100 - 3.0=100 HE3 LYS 62 + HD3 LYS 62 OK 99 99 - 100 - 3.0=100 Peak 2984 from cnoeabs.peaks (2.98, 1.67, 28.78 ppm; 2.98 A): 8 out of 8 assignments used, quality = 1.00: * HE3 LYS 60 + HD2 LYS 60 OK 100 100 - 100 - 3.0=100 HE2 LYS 60 + HD2 LYS 60 OK 100 100 - 100 - 3.0=100 HE2 LYS 62 + HD2 LYS 62 OK 100 100 - 100 - 3.0=100 HE3 LYS 60 + HD3 LYS 60 OK 100 100 - 100 - 3.0=100 HE2 LYS 60 + HD3 LYS 60 OK 100 100 - 100 - 3.0=100 HE3 LYS 62 + HD2 LYS 62 OK 100 100 - 100 - 3.0=100 HE2 LYS 62 + HD3 LYS 62 OK 100 100 - 100 - 3.0=100 HE3 LYS 62 + HD3 LYS 62 OK 100 100 - 100 - 3.0=100 Peak 2986 from cnoeabs.peaks (4.26, 1.67, 28.78 ppm; 3.98 A): 4 out of 25 assignments used, quality = 1.00: HA LYS 62 + HD2 LYS 62 OK 84 100 - 84 - 5.0=51, 3.0/3134=10...(25) HA LYS 62 + HD3 LYS 62 OK 84 100 - 84 - 5.0=51, 3.0/3134=10...(25) * HA LYS 60 + HD3 LYS 60 OK 77 100 - 77 - 5.2=44, 3.0/3124=8...(22) HA LYS 60 + HD2 LYS 60 OK 77 100 - 77 - 5.2=44, 3.0/2978=8...(22) HA LYS 62 - HD3 LYS 60 OK 17 100 - 17 - 2932=2, 2931/1.8=2...(5) HA LYS 62 - HD2 LYS 60 OK 17 99 - 17 - 2932=2, 2931/1.8=2...(5) HA LYS 60 - HD3 LYS 62 OK 16 100 - 15 - 2932=2, 2931/1.8=1, 3.0/3134=1 HA LYS 60 - HD2 LYS 62 OK 16 100 - 15 - 2932=2, 2931/1.8=1, 3.0/3124=1 HA THR 59 - HD2 LYS 62 OK 15 100 - 15 - 4681/3.4=14 HA THR 59 - HD3 LYS 62 OK 15 100 - 15 - 4681/3.4=14 HA THR 59 - HD3 LYS 60 lone 8 100 - 8 - 4681/3.7=7 HA THR 59 - HD2 LYS 60 lone 8 100 - 8 - 4681/3.7=7 HB THR 59 - HD2 LYS 62 lone 6 87 - 7 - ~4681=6 HB THR 59 - HD3 LYS 62 lone 6 87 - 7 - ~4681=6 HA ARG 61 - HD2 LYS 62 lone 5 81 - 7 - ~318=2 HA ARG 61 - HD3 LYS 62 lone 5 80 - 7 - ~318=2 HA THR 59 - HD3 LYS 42 lone 4 71 - 5 - ~305=1, ~3591=1, ~304=1 HA ARG 61 - HD3 LYS 60 lone 2 81 - 3 - HA ARG 61 - HD2 LYS 60 lone 2 80 - 3 - HA LYS 62 - HD3 LYS 42 lone 2 71 - 2 - HB THR 59 - HD3 LYS 42 lone 1 56 - 2 - HA LYS 60 - HD3 LYS 42 lone 1 72 - 1 - HB THR 59 - HD3 LYS 60 lone 1 87 - 1 - HB THR 59 - HD2 LYS 60 lone 1 86 - 1 - HA ARG 61 - HD3 LYS 42 lone 1 51 - 1 - Peak 2987 from cnoeabs.peaks (1.83, 1.67, 28.78 ppm; 4.39 A): 4 out of 4 assignments used, quality = 1.00: * HB2 LYS 60 + HD3 LYS 60 OK 100 100 - 100 - 3.7=100 HB2 LYS 60 + HD2 LYS 60 OK 100 100 - 100 - 3.7=100 HB2 LYS 62 + HD2 LYS 62 OK 99 99 - 100 - 3.4=100 HB2 LYS 62 + HD3 LYS 62 OK 99 99 - 100 - 3.4=100 Peak 2988 from cnoeabs.peaks (1.78, 1.67, 28.78 ppm; 2.59 A): 4 out of 20 assignments used, quality = 0.98: HB3 LYS 62 + HD2 LYS 62 OK 67 100 - 67 - 3.4=43, 2951/1.8=5...(20) HB3 LYS 62 + HD3 LYS 62 OK 67 100 - 67 - 3.4=43, 2951/1.8=5...(20) * HB3 LYS 60 + HD3 LYS 60 OK 58 100 - 58 - 3.7=34, 2951/1.8=4...(19) HB3 LYS 60 + HD2 LYS 60 OK 58 100 - 58 - 3.7=34, 2951/1.8=4...(19) HB3 LYS 60 - HD2 LYS 62 lone 9 100 - 9 - HB3 LYS 60 - HD3 LYS 62 lone 9 100 - 9 - HB3 LYS 62 - HD3 LYS 60 lone 9 100 - 8 - HB3 LYS 62 - HD2 LYS 60 lone 8 100 - 8 - HB2 LYS 58 - HD2 LYS 62 lone 0 73 - 1 - HB2 LYS 58 - HD3 LYS 62 lone 0 73 - 1 - HB2 PRO 32 - HD2 LYS 62 lone 0 87 - 0 - HB2 PRO 32 - HD3 LYS 62 lone 0 87 - 0 - HB2 LYS 58 - HD3 LYS 60 lone 0 73 - 0 - HB2 LYS 58 - HD2 LYS 60 lone 0 73 - 0 - HB3 LYS 62 - HD3 LYS 42 lone 0 71 - 0 - HB2 PRO 32 - HD3 LYS 60 lone 0 87 - 0 - HB2 PRO 32 - HD2 LYS 60 lone 0 86 - 0 - HB3 LYS 60 - HD3 LYS 42 lone 0 72 - 0 - HB2 LYS 58 - HD3 LYS 42 lone 0 45 - 1 - HB2 PRO 32 - HD3 LYS 42 lone 0 56 - 0 - Peak 2989 from cnoeabs.peaks (1.43, 1.67, 28.78 ppm; 2.87 A): 8 out of 50 assignments used, quality = 1.00: HG3 LYS 60 + HD3 LYS 60 OK 96 100 - 96 - 2.9=93, 3.0/3124=5...(21) * HG2 LYS 60 + HD3 LYS 60 OK 96 100 - 96 - 2.9=93, 3.0/3124=5...(21) HG2 LYS 60 + HD2 LYS 60 OK 96 100 - 96 - 2.9=93, 3.0/2978=5...(21) HG3 LYS 60 + HD2 LYS 60 OK 96 100 - 96 - 2.9=93, 3.0/2978=5...(21) HG3 LYS 62 + HD2 LYS 62 OK 94 99 - 95 - 3.0=91, 2.9/3134=6...(21) HG2 LYS 62 + HD2 LYS 62 OK 94 99 - 95 - 3.0=91, 2.9/3134=6...(21) HG2 LYS 62 + HD3 LYS 62 OK 94 99 - 95 - 3.0=91, 2.9/3134=6...(21) HG3 LYS 62 + HD3 LYS 62 OK 94 99 - 95 - 3.0=91, 2.9/3134=6...(21) HG3 LYS 60 - HD2 LYS 62 lone 9 100 - 9 - HG3 LYS 60 - HD3 LYS 62 lone 9 100 - 9 - HG2 LYS 60 - HD2 LYS 62 lone 9 100 - 9 - HG2 LYS 60 - HD3 LYS 62 lone 9 100 - 9 - HG2 LYS 62 - HD3 LYS 60 lone 8 99 - 8 - HG3 LYS 62 - HD3 LYS 60 lone 8 99 - 8 - HG2 LYS 62 - HD2 LYS 60 lone 8 99 - 8 - HG3 LYS 62 - HD2 LYS 60 lone 8 99 - 8 - HB3 LEU 41 - HD3 LYS 42 lone 5 72 - 7 - 4.6/678=3, 4461/3.0=1 HG2 LYS 39 - HD2 LYS 62 lone 3 100 - 3 - HG2 LYS 39 - HD3 LYS 62 lone 3 100 - 3 - HG2 LYS 39 - HD2 LYS 60 lone 3 100 - 3 - HG2 LYS 39 - HD3 LYS 60 lone 3 100 - 3 - HB3 LEU 41 - HD3 LYS 62 lone 1 100 - 1 - HB3 LEU 41 - HD2 LYS 62 lone 1 100 - 1 - HG2 LYS 39 - HD3 LYS 42 lone 1 71 - 2 - HB3 LEU 41 - HD3 LYS 60 lone 1 100 - 1 - HB3 LEU 41 - HD2 LYS 60 lone 1 100 - 1 - HG3 LYS 49 - HD3 LYS 42 lone 1 38 - 2 - HG3 LYS 49 - HD3 LYS 60 lone 1 63 - 1 - HG3 LYS 49 - HD2 LYS 60 lone 1 62 - 1 - HG2 LYS 62 - HD3 LYS 42 lone 1 69 - 1 - HG3 LYS 62 - HD3 LYS 42 lone 1 69 - 1 - HG3 LYS 49 - HD2 LYS 62 lone 1 63 - 1 - HG3 LYS 49 - HD3 LYS 62 lone 1 63 - 1 - HB2 LYS 27 - HD3 LYS 60 lone 1 99 - 1 - HG3 LYS 58 - HD2 LYS 62 lone 1 63 - 1 - HB2 LYS 27 - HD2 LYS 62 lone 0 99 - 1 - HB2 LYS 27 - HD2 LYS 60 lone 1 98 - 1 - HB2 LYS 27 - HD3 LYS 62 lone 0 99 - 1 - HG3 LYS 58 - HD3 LYS 62 lone 1 63 - 1 - HG2 LYS 60 - HD3 LYS 42 lone 0 72 - 1 - HG3 LYS 60 - HD3 LYS 42 lone 0 72 - 1 - HG3 LYS 58 - HD3 LYS 60 lone 0 63 - 1 - HG3 LYS 58 - HD2 LYS 60 lone 0 62 - 1 - HB2 LYS 27 - HD3 LYS 42 lone 0 69 - 1 - HG3 ARG 56 - HD2 LYS 62 lone 0 65 - 1 - HG3 ARG 56 - HD3 LYS 62 lone 0 65 - 1 - HG3 LYS 58 - HD3 LYS 42 lone 0 38 - 1 - HG3 ARG 56 - HD3 LYS 60 lone 0 65 - 0 - HG3 ARG 56 - HD2 LYS 60 lone 0 65 - 0 - HG3 ARG 56 - HD3 LYS 42 lone 0 40 - 1 - Peak 2990 from cnoeabs.peaks (1.43, 1.67, 28.78 ppm; 2.87 A): 8 out of 50 assignments used, quality = 1.00: * HG3 LYS 60 + HD3 LYS 60 OK 96 100 - 96 - 2.9=93, 3.0/3124=5...(21) HG2 LYS 60 + HD3 LYS 60 OK 96 100 - 96 - 2.9=93, 3.0/3124=5...(21) HG3 LYS 60 + HD2 LYS 60 OK 96 100 - 96 - 2.9=93, 3.0/2978=5...(21) HG2 LYS 60 + HD2 LYS 60 OK 96 100 - 96 - 2.9=93, 3.0/2978=5...(21) HG2 LYS 62 + HD2 LYS 62 OK 94 99 - 95 - 3.0=91, 2.9/3134=6...(21) HG3 LYS 62 + HD2 LYS 62 OK 94 99 - 95 - 3.0=91, 2.9/3134=6...(21) HG2 LYS 62 + HD3 LYS 62 OK 94 99 - 95 - 3.0=91, 2.9/3134=6...(21) HG3 LYS 62 + HD3 LYS 62 OK 94 99 - 95 - 3.0=91, 2.9/3134=6...(21) HG3 LYS 60 - HD2 LYS 62 lone 9 100 - 9 - HG3 LYS 60 - HD3 LYS 62 lone 9 100 - 9 - HG2 LYS 60 - HD2 LYS 62 lone 9 100 - 9 - HG2 LYS 60 - HD3 LYS 62 lone 9 100 - 9 - HG2 LYS 62 - HD3 LYS 60 lone 8 99 - 8 - HG3 LYS 62 - HD3 LYS 60 lone 8 99 - 8 - HG2 LYS 62 - HD2 LYS 60 lone 8 99 - 8 - HG3 LYS 62 - HD2 LYS 60 lone 8 99 - 8 - HB3 LEU 41 - HD3 LYS 42 lone 5 72 - 7 - 4.6/678=3, 4461/3.0=1 HG2 LYS 39 - HD2 LYS 62 lone 3 100 - 3 - HG2 LYS 39 - HD3 LYS 62 lone 3 100 - 3 - HG2 LYS 39 - HD2 LYS 60 lone 3 100 - 3 - HG2 LYS 39 - HD3 LYS 60 lone 3 100 - 3 - HB3 LEU 41 - HD3 LYS 62 lone 1 100 - 1 - HB3 LEU 41 - HD2 LYS 62 lone 1 100 - 1 - HG2 LYS 39 - HD3 LYS 42 lone 1 71 - 2 - HB3 LEU 41 - HD3 LYS 60 lone 1 100 - 1 - HB3 LEU 41 - HD2 LYS 60 lone 1 100 - 1 - HG3 LYS 49 - HD3 LYS 42 lone 1 36 - 2 - HG2 LYS 62 - HD3 LYS 42 lone 1 70 - 1 - HG3 LYS 62 - HD3 LYS 42 lone 1 70 - 1 - HG3 LYS 49 - HD3 LYS 60 lone 1 60 - 1 - HG3 LYS 58 - HD2 LYS 62 lone 1 65 - 1 - HG3 LYS 49 - HD2 LYS 60 lone 1 60 - 1 - HG3 LYS 58 - HD3 LYS 62 lone 1 65 - 1 - HB2 LYS 27 - HD3 LYS 60 lone 0 98 - 1 - HG3 LYS 49 - HD2 LYS 62 lone 1 60 - 1 - HB2 LYS 27 - HD2 LYS 62 lone 0 98 - 1 - HB2 LYS 27 - HD2 LYS 60 lone 0 98 - 1 - HG3 LYS 49 - HD3 LYS 62 lone 1 60 - 1 - HB2 LYS 27 - HD3 LYS 62 lone 0 98 - 1 - HG3 LYS 60 - HD3 LYS 42 lone 1 72 - 1 - HG2 LYS 60 - HD3 LYS 42 lone 0 72 - 1 - HG3 LYS 58 - HD3 LYS 60 lone 1 65 - 1 - HG3 LYS 58 - HD2 LYS 60 lone 1 65 - 1 - HB2 LYS 27 - HD3 LYS 42 lone 0 68 - 1 - HG3 ARG 56 - HD2 LYS 62 lone 0 68 - 1 - HG3 ARG 56 - HD3 LYS 62 lone 0 68 - 1 - HG3 LYS 58 - HD3 LYS 42 lone 0 40 - 1 - HG3 ARG 56 - HD3 LYS 60 lone 0 68 - 0 - HG3 ARG 56 - HD2 LYS 60 lone 0 68 - 0 - HG3 ARG 56 - HD3 LYS 42 lone 0 42 - 1 - Peak 2991 from cnoeabs.peaks (1.67, 1.67, 28.78 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HD3 LYS 60 + HD3 LYS 60 OK 100 100 - 100 HD2 LYS 62 + HD2 LYS 62 OK 100 100 - 100 HD2 LYS 60 + HD2 LYS 60 OK 100 100 - 100 HD3 LYS 62 + HD3 LYS 62 OK 100 100 - 100 HD3 LYS 42 + HD3 LYS 42 OK 64 64 - 100 Reference assignment not found: HD2 LYS 60 - HD3 LYS 60 Peak 2992 from cnoeabs.peaks (1.67, 1.67, 28.78 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HD3 LYS 60 + HD3 LYS 60 OK 100 100 - 100 HD2 LYS 62 + HD2 LYS 62 OK 100 100 - 100 HD3 LYS 62 + HD3 LYS 62 OK 100 100 - 100 HD2 LYS 60 + HD2 LYS 60 OK 100 100 - 100 HD3 LYS 42 + HD3 LYS 42 OK 67 67 - 100 Peak 2993 from cnoeabs.peaks (2.98, 1.67, 28.78 ppm; 2.98 A): 8 out of 8 assignments used, quality = 1.00: * HE2 LYS 60 + HD3 LYS 60 OK 100 100 - 100 - 3.0=100 HE3 LYS 60 + HD3 LYS 60 OK 100 100 - 100 - 3.0=100 HE2 LYS 62 + HD2 LYS 62 OK 100 100 - 100 - 3.0=100 HE2 LYS 62 + HD3 LYS 62 OK 100 100 - 100 - 3.0=100 HE2 LYS 60 + HD2 LYS 60 OK 100 100 - 100 - 3.0=100 HE3 LYS 60 + HD2 LYS 60 OK 100 100 - 100 - 3.0=100 HE3 LYS 62 + HD2 LYS 62 OK 100 100 - 100 - 3.0=100 HE3 LYS 62 + HD3 LYS 62 OK 100 100 - 100 - 3.0=100 Peak 2994 from cnoeabs.peaks (2.98, 1.67, 28.78 ppm; 2.98 A): 8 out of 8 assignments used, quality = 1.00: * HE3 LYS 60 + HD3 LYS 60 OK 100 100 - 100 - 3.0=100 HE2 LYS 62 + HD2 LYS 62 OK 100 100 - 100 - 3.0=100 HE2 LYS 60 + HD3 LYS 60 OK 100 100 - 100 - 3.0=100 HE2 LYS 62 + HD3 LYS 62 OK 100 100 - 100 - 3.0=100 HE3 LYS 62 + HD2 LYS 62 OK 100 100 - 100 - 3.0=100 HE3 LYS 60 + HD2 LYS 60 OK 100 100 - 100 - 3.0=100 HE2 LYS 60 + HD2 LYS 60 OK 100 100 - 100 - 3.0=100 HE3 LYS 62 + HD3 LYS 62 OK 100 100 - 100 - 3.0=100 Peak 2997 from cnoeabs.peaks (1.83, 2.98, 42.17 ppm; 3.95 A): 4 out of 72 assignments used, quality = 1.00: HB2 LYS 62 + HE2 LYS 62 OK 90 98 - 91 - 4.6=63, 1.8/2998=7...(52) HB2 LYS 62 + HE3 LYS 62 OK 89 97 - 91 - 4.6=63, 1.8/3008=7...(52) * HB2 LYS 60 + HE2 LYS 60 OK 85 100 - 85 - 4.9=52, 1.8/2998=7...(43) HB2 LYS 60 + HE3 LYS 60 OK 85 100 - 85 - 4.9=52, 1.8/2998=7...(43) HB2 LYS 62 - HE2 LYS 60 OK 19 99 - 19 - 1.8/2998=1, ~2998=1...(5) HB2 LYS 62 - HE3 LYS 60 OK 19 99 - 19 - 1.8/2998=1, ~2998=1...(5) HB2 LYS 60 - HE2 LYS 62 OK 18 100 - 18 - 1.8/2998=1, ~3154=1...(5) HB2 LYS 60 - HE3 LYS 62 OK 18 99 - 18 - 1.8/3008=1, ~2998=1...(5) HB2 ARG 61 - HE2 LYS 62 lone 4 72 - 5 - 818/7.4=3 HB2 ARG 61 - HE3 LYS 62 lone 4 71 - 5 - 818/7.4=3 HB3 ARG 34 - HE2 LYS 49 lone 3 72 - 4 - HB3 ARG 34 - HE3 LYS 49 lone 3 72 - 4 - HB2 LYS 62 - HE3 LYS 49 lone 3 98 - 3 - HB2 LYS 62 - HE2 LYS 49 lone 3 98 - 3 - HB2 LYS 60 - HE3 LYS 49 lone 2 100 - 2 - HB2 LYS 60 - HE2 LYS 49 lone 2 100 - 2 - HD2 LYS 22 - HE2 LYS 49 lone 2 89 - 2 - HD2 LYS 22 - HE3 LYS 49 lone 2 89 - 2 - HB3 GLN 47 - HE2 LYS 49 lone 2 97 - 2 - HB3 GLN 47 - HE3 LYS 49 lone 2 97 - 2 - HB2 LYS 62 - HE2 LYS 39 lone 1 57 - 2 - HB2 LYS 62 - HE3 LYS 39 lone 1 57 - 2 - HD2 LYS 22 - HE2 LYS 62 lone 1 89 - 1 - HD2 LYS 22 - HE3 LYS 62 lone 1 88 - 1 - HB2 LYS 60 - HE2 LYS 39 lone 1 59 - 2 - HB2 LYS 60 - HE3 LYS 39 lone 1 59 - 2 - HB2 ARG 61 - HE2 LYS 60 lone 1 73 - 2 - HB2 ARG 61 - HE3 LYS 60 lone 1 73 - 2 - HB3 GLN 47 - HE2 LYS 62 lone 1 97 - 1 - HB3 ARG 34 - HE2 LYS 62 lone 1 72 - 2 - HB2 ARG 61 - HE2 LYS 49 lone 1 72 - 2 - HB2 ARG 61 - HE3 LYS 49 lone 1 72 - 2 - HD2 LYS 22 - HE2 LYS 60 lone 1 90 - 1 - HD2 LYS 22 - HE3 LYS 60 lone 1 90 - 1 - HB3 GLN 47 - HE3 LYS 62 lone 1 96 - 1 - HB3 ARG 34 - HE3 LYS 62 lone 1 71 - 2 - HB3 ARG 34 - HE2 LYS 60 lone 1 73 - 2 - HB3 ARG 34 - HE3 LYS 60 lone 1 73 - 2 - HB3 GLN 47 - HE2 LYS 60 lone 1 98 - 1 - HB ILE 17 - HE2 LYS 62 lone 1 100 - 1 - HB3 GLN 47 - HE3 LYS 60 lone 1 98 - 1 - HB ILE 17 - HE3 LYS 62 lone 1 99 - 1 - HB ILE 17 - HE2 LYS 49 lone 1 100 - 1 - HB ILE 17 - HE3 LYS 49 lone 1 100 - 1 - HB ILE 17 - HE2 LYS 60 lone 1 100 - 1 - HB ILE 17 - HE3 LYS 60 lone 1 100 - 1 - HB3 GLN 47 - HE2 LYS 39 lone 1 55 - 2 - HB3 GLN 47 - HE3 LYS 39 lone 1 55 - 2 - HG2 ARG 21 - HE2 LYS 49 lone 1 72 - 2 - HG2 ARG 21 - HE3 LYS 49 lone 1 72 - 2 - HB3 MET 11 - HE2 LYS 62 lone 1 100 - 1 - HB3 MET 11 - HE3 LYS 62 lone 1 99 - 1 - HB3 MET 11 - HE3 LYS 49 lone 1 100 - 1 - HB3 MET 11 - HE2 LYS 49 lone 1 100 - 1 - HB3 MET 11 - HE2 LYS 60 lone 1 100 - 1 - HB3 MET 11 - HE3 LYS 60 lone 1 100 - 1 - HG2 ARG 21 - HE2 LYS 62 lone 1 72 - 1 - HG2 ARG 21 - HE3 LYS 62 lone 1 71 - 1 - HG2 ARG 21 - HE2 LYS 60 lone 1 73 - 1 - HG2 ARG 21 - HE3 LYS 60 lone 1 73 - 1 - HD2 LYS 22 - HE3 LYS 39 lone 1 48 - 2 - HD2 LYS 22 - HE2 LYS 39 lone 1 48 - 2 - HB3 ARG 34 - HE2 LYS 39 lone 1 36 - 2 - HB3 ARG 34 - HE3 LYS 39 lone 1 36 - 2 - HB ILE 17 - HE2 LYS 39 lone 1 59 - 1 - HB ILE 17 - HE3 LYS 39 lone 1 59 - 1 - HB3 MET 11 - HE2 LYS 39 lone 1 59 - 1 - HB3 MET 11 - HE3 LYS 39 lone 1 59 - 1 - HG2 ARG 21 - HE3 LYS 39 lone 1 36 - 2 - HG2 ARG 21 - HE2 LYS 39 lone 1 36 - 2 - HB2 ARG 61 - HE2 LYS 39 lone 0 36 - 1 - HB2 ARG 61 - HE3 LYS 39 lone 0 36 - 1 - Peak 2998 from cnoeabs.peaks (1.78, 2.98, 42.17 ppm; 4.06 A): 4 out of 32 assignments used, quality = 1.00: HB3 LYS 62 + HE2 LYS 62 OK 91 100 - 92 - 4.6=68, 3134/3.0=10...(47) HB3 LYS 62 + HE3 LYS 62 OK 91 99 - 92 - 4.6=68, 3134/3.0=10...(47) * HB3 LYS 60 + HE2 LYS 60 OK 85 100 - 85 - 4.9=56, 2978/3.0=9...(38) HB3 LYS 60 + HE3 LYS 60 OK 85 100 - 85 - 4.9=56, 2978/3.0=9...(38) HB3 LYS 62 - HE2 LYS 60 OK 19 100 - 19 - 1.8/3143=1, 2978/3.0=1...(7) HB3 LYS 62 - HE3 LYS 60 OK 19 100 - 19 - 1.8/3143=1, 2978/3.0=1...(7) HB3 LYS 60 - HE2 LYS 62 OK 18 100 - 18 - 1.8/2997=1, 819/7.4=1...(5) HB3 LYS 60 - HE3 LYS 62 OK 18 99 - 18 - 1.8/3007=1, 819/7.4=1...(4) HB3 LYS 62 - HE3 LYS 49 lone 3 100 - 3 - HB3 LYS 62 - HE2 LYS 49 lone 3 100 - 3 - HB3 LYS 60 - HE3 LYS 49 lone 3 100 - 2 - HB3 LYS 60 - HE2 LYS 49 lone 3 100 - 2 - HB3 LYS 62 - HE3 LYS 39 lone 2 59 - 3 - HB3 LYS 62 - HE2 LYS 39 lone 2 59 - 3 - HB2 PRO 32 - HE2 LYS 49 lone 1 86 - 2 - HB2 PRO 32 - HE3 LYS 49 lone 1 86 - 2 - HB3 LYS 60 - HE3 LYS 39 lone 1 59 - 2 - HB3 LYS 60 - HE2 LYS 39 lone 1 59 - 2 - HB2 LYS 58 - HE2 LYS 62 lone 1 72 - 2 - HB2 LYS 58 - HE3 LYS 62 lone 1 71 - 2 - HB2 LYS 58 - HE2 LYS 60 lone 1 73 - 2 - HB2 LYS 58 - HE3 LYS 60 lone 1 73 - 2 - HB2 PRO 32 - HE2 LYS 62 lone 1 86 - 1 - HB2 LYS 58 - HE2 LYS 39 lone 1 36 - 3 - HB2 LYS 58 - HE3 LYS 39 lone 1 36 - 3 - HB2 PRO 32 - HE3 LYS 62 lone 1 84 - 1 - HB2 PRO 32 - HE2 LYS 60 lone 1 87 - 1 - HB2 PRO 32 - HE3 LYS 60 lone 1 87 - 1 - HB2 LYS 58 - HE2 LYS 49 lone 1 72 - 1 - HB2 LYS 58 - HE3 LYS 49 lone 1 72 - 1 - HB2 PRO 32 - HE2 LYS 39 lone 0 45 - 1 - HB2 PRO 32 - HE3 LYS 39 lone 0 45 - 1 - Peak 2999 from cnoeabs.peaks (1.43, 2.98, 42.17 ppm; 3.24 A): 12 out of 80 assignments used, quality = 1.00: HG2 LYS 62 + HE2 LYS 62 OK 82 98 - 83 - 3.7=65, 2.9/2998=4...(40) HG3 LYS 62 + HE2 LYS 62 OK 82 98 - 83 - 3.7=65, 2.9/2998=4...(40) HG3 LYS 62 + HE3 LYS 62 OK 81 97 - 83 - 3.7=65, 2.9/3008=4...(40) HG2 LYS 62 + HE3 LYS 62 OK 81 97 - 83 - 3.7=65, 2.9/3008=4...(40) * HG2 LYS 60 + HE2 LYS 60 OK 79 100 - 79 - 3.9=56, 3.0/2998=4...(40) HG3 LYS 60 + HE2 LYS 60 OK 79 100 - 79 - 3.9=56, 3.0/2998=4...(40) HG2 LYS 60 + HE3 LYS 60 OK 79 100 - 79 - 3.9=56, 3.0/2998=4...(40) HG3 LYS 60 + HE3 LYS 60 OK 79 100 - 79 - 3.9=56, 3.0/2998=4...(40) HG3 LYS 49 + HE2 LYS 49 OK 55 62 - 90 - 3.6=72, 1.8/2465=9...(27) HG3 LYS 49 + HE3 LYS 49 OK 55 62 - 90 - 3.6=72, 1.8/2465=9...(27) HG2 LYS 39 + HE2 LYS 39 OK 50 58 - 85 - 3.6=72, ~2032=6, ~2031=6...(24) HG2 LYS 39 + HE3 LYS 39 OK 50 58 - 85 - 3.6=72, ~2032=6, ~2031=6...(24) HG3 LYS 62 - HE2 LYS 60 OK 11 99 - 11 - HG2 LYS 62 - HE2 LYS 60 OK 11 99 - 11 - HG2 LYS 62 - HE3 LYS 60 OK 11 99 - 11 - HG3 LYS 62 - HE3 LYS 60 OK 11 99 - 11 - HG2 LYS 60 - HE2 LYS 62 OK 10 100 - 10 - HG3 LYS 60 - HE2 LYS 62 OK 10 100 - 10 - HG2 LYS 60 - HE3 LYS 62 OK 10 99 - 10 - HG3 LYS 60 - HE3 LYS 62 OK 10 99 - 10 - HG2 LYS 39 - HE2 LYS 49 lone 5 99 - 5 - HG2 LYS 39 - HE3 LYS 49 lone 5 99 - 5 - HG2 LYS 39 - HE2 LYS 62 lone 3 99 - 3 - HG2 LYS 39 - HE3 LYS 62 lone 3 98 - 3 - HG2 LYS 39 - HE3 LYS 60 lone 3 100 - 3 - HG2 LYS 39 - HE2 LYS 60 lone 3 100 - 3 - HB2 LYS 27 - HE2 LYS 49 lone 2 98 - 2 - HB2 LYS 27 - HE3 LYS 49 lone 2 98 - 2 - HG3 LYS 49 - HE2 LYS 39 lone 2 30 - 7 - HG3 LYS 49 - HE3 LYS 39 lone 2 30 - 7 - HB3 LEU 41 - HE3 LYS 39 lone 2 59 - 3 - 1989/6.1=1 HB3 LEU 41 - HE2 LYS 39 lone 2 59 - 3 - 1989/6.1=1 HG2 LYS 62 - HE2 LYS 49 lone 2 98 - 2 - HG2 LYS 62 - HE3 LYS 49 lone 2 98 - 2 - HG3 LYS 62 - HE3 LYS 49 lone 2 98 - 2 - HG3 LYS 62 - HE2 LYS 49 lone 2 98 - 2 - HB3 LEU 41 - HE3 LYS 49 lone 2 100 - 2 - HB3 LEU 41 - HE2 LYS 49 lone 2 100 - 2 - HG2 LYS 60 - HE3 LYS 49 lone 2 100 - 1 - HG2 LYS 60 - HE2 LYS 49 lone 2 100 - 1 - HG3 LYS 60 - HE2 LYS 49 lone 2 100 - 1 - HG3 LYS 60 - HE3 LYS 49 lone 2 100 - 1 - HG3 LYS 49 - HE2 LYS 60 lone 1 63 - 2 - HG3 LYS 49 - HE3 LYS 60 lone 1 63 - 2 - HB3 LEU 41 - HE2 LYS 60 lone 1 100 - 1 - HB3 LEU 41 - HE3 LYS 60 lone 1 100 - 1 - HB3 LEU 41 - HE2 LYS 62 lone 1 100 - 1 - HB3 LEU 41 - HE3 LYS 62 lone 1 99 - 1 - HG2 LYS 62 - HE2 LYS 39 lone 1 57 - 2 - HG3 LYS 62 - HE3 LYS 39 lone 1 57 - 2 - HG3 LYS 62 - HE2 LYS 39 lone 1 57 - 2 - HG2 LYS 62 - HE3 LYS 39 lone 1 57 - 2 - HG3 LYS 60 - HE2 LYS 39 lone 1 59 - 2 - HG3 LYS 60 - HE3 LYS 39 lone 1 59 - 2 - HG2 LYS 60 - HE2 LYS 39 lone 1 59 - 2 - HG2 LYS 60 - HE3 LYS 39 lone 1 59 - 2 - HG3 LYS 49 - HE2 LYS 62 lone 1 62 - 2 - HG3 LYS 49 - HE3 LYS 62 lone 1 60 - 2 - HB2 LYS 27 - HE2 LYS 60 lone 1 99 - 1 - HB2 LYS 27 - HE3 LYS 60 lone 1 99 - 1 - HB2 LYS 27 - HE2 LYS 62 lone 1 98 - 1 - HB2 LYS 27 - HE3 LYS 62 lone 1 97 - 1 - HB2 LYS 27 - HE2 LYS 39 lone 1 56 - 1 - HB2 LYS 27 - HE3 LYS 39 lone 1 56 - 1 - HG3 LYS 58 - HE3 LYS 39 lone 1 30 - 2 - HG3 LYS 58 - HE2 LYS 39 lone 1 30 - 2 - HG3 LYS 58 - HE2 LYS 62 lone 1 62 - 1 - HG3 LYS 58 - HE3 LYS 62 lone 1 60 - 1 - HG3 LYS 58 - HE2 LYS 60 lone 1 63 - 1 - HG3 LYS 58 - HE3 LYS 60 lone 1 63 - 1 - HG3 LYS 58 - HE2 LYS 49 lone 0 62 - 1 - HG3 LYS 58 - HE3 LYS 49 lone 0 62 - 1 - HG3 ARG 56 - HE2 LYS 62 lone 0 64 - 1 - HG3 ARG 56 - HE3 LYS 62 lone 0 63 - 1 - HG3 ARG 56 - HE2 LYS 60 lone 0 65 - 1 - HG3 ARG 56 - HE3 LYS 60 lone 0 65 - 1 - HG3 ARG 56 - HE2 LYS 49 lone 0 64 - 1 - HG3 ARG 56 - HE3 LYS 49 lone 0 64 - 1 - HG3 ARG 56 - HE2 LYS 39 lone 0 32 - 1 - HG3 ARG 56 - HE3 LYS 39 lone 0 32 - 1 - Peak 3000 from cnoeabs.peaks (1.43, 2.98, 42.17 ppm; 3.24 A): 12 out of 80 assignments used, quality = 1.00: HG2 LYS 62 + HE2 LYS 62 OK 82 99 - 83 - 3.7=65, 2.9/2998=4...(40) HG3 LYS 62 + HE2 LYS 62 OK 82 99 - 83 - 3.7=65, 2.9/2998=4...(40) HG3 LYS 62 + HE3 LYS 62 OK 81 98 - 83 - 3.7=65, 2.9/3008=4...(40) HG2 LYS 62 + HE3 LYS 62 OK 81 98 - 83 - 3.7=65, 2.9/3008=4...(40) HG2 LYS 60 + HE2 LYS 60 OK 79 100 - 79 - 3.9=56, 3.0/2998=4...(40) * HG3 LYS 60 + HE2 LYS 60 OK 79 100 - 79 - 3.9=56, 3.0/2998=4...(40) HG3 LYS 60 + HE3 LYS 60 OK 79 100 - 79 - 3.9=56, 3.0/2998=4...(40) HG2 LYS 60 + HE3 LYS 60 OK 79 100 - 79 - 3.9=56, 3.0/2998=4...(40) HG3 LYS 49 + HE2 LYS 49 OK 53 59 - 90 - 3.6=72, 1.8/2465=9...(27) HG3 LYS 49 + HE3 LYS 49 OK 53 59 - 90 - 3.6=72, 1.8/2465=9...(27) HG2 LYS 39 + HE2 LYS 39 OK 50 59 - 85 - 3.6=72, ~2032=6, ~2031=6...(24) HG2 LYS 39 + HE3 LYS 39 OK 50 59 - 85 - 3.6=72, ~2032=6, ~2031=6...(24) HG3 LYS 62 - HE2 LYS 60 OK 11 99 - 11 - HG2 LYS 62 - HE2 LYS 60 OK 11 99 - 11 - HG2 LYS 62 - HE3 LYS 60 OK 11 99 - 11 - HG3 LYS 62 - HE3 LYS 60 OK 11 99 - 11 - HG2 LYS 60 - HE2 LYS 62 OK 10 100 - 10 - HG3 LYS 60 - HE2 LYS 62 OK 10 100 - 10 - HG3 LYS 60 - HE3 LYS 62 OK 10 99 - 10 - HG2 LYS 60 - HE3 LYS 62 OK 10 99 - 10 - HG2 LYS 39 - HE2 LYS 49 lone 5 100 - 5 - HG2 LYS 39 - HE3 LYS 49 lone 5 100 - 5 - HG2 LYS 39 - HE2 LYS 62 lone 3 100 - 3 - HG2 LYS 39 - HE3 LYS 62 lone 3 99 - 3 - HG2 LYS 39 - HE3 LYS 60 lone 3 100 - 3 - HG2 LYS 39 - HE2 LYS 60 lone 3 100 - 3 - HB2 LYS 27 - HE2 LYS 49 lone 2 97 - 2 - HB2 LYS 27 - HE3 LYS 49 lone 2 97 - 2 - HG3 LYS 49 - HE2 LYS 39 lone 2 29 - 7 - HG3 LYS 49 - HE3 LYS 39 lone 2 29 - 7 - HB3 LEU 41 - HE3 LYS 39 lone 2 59 - 3 - 1989/6.1=1 HB3 LEU 41 - HE2 LYS 39 lone 2 59 - 3 - 1989/6.1=1 HG2 LYS 62 - HE2 LYS 49 lone 2 99 - 2 - HG2 LYS 62 - HE3 LYS 49 lone 2 99 - 2 - HG3 LYS 62 - HE3 LYS 49 lone 2 99 - 2 - HG3 LYS 62 - HE2 LYS 49 lone 2 99 - 2 - HB3 LEU 41 - HE3 LYS 49 lone 2 100 - 2 - HB3 LEU 41 - HE2 LYS 49 lone 2 100 - 2 - HG3 LYS 60 - HE3 LYS 49 lone 2 100 - 1 - HG3 LYS 60 - HE2 LYS 49 lone 2 100 - 1 - HG2 LYS 60 - HE2 LYS 49 lone 2 100 - 1 - HG2 LYS 60 - HE3 LYS 49 lone 2 100 - 1 - HG3 LYS 49 - HE2 LYS 60 lone 1 60 - 2 - HG3 LYS 49 - HE3 LYS 60 lone 1 60 - 2 - HB3 LEU 41 - HE2 LYS 60 lone 1 100 - 1 - HB3 LEU 41 - HE3 LYS 60 lone 1 100 - 1 - HB3 LEU 41 - HE2 LYS 62 lone 1 100 - 1 - HB3 LEU 41 - HE3 LYS 62 lone 1 99 - 1 - HG2 LYS 62 - HE2 LYS 39 lone 1 57 - 2 - HG3 LYS 62 - HE3 LYS 39 lone 1 57 - 2 - HG3 LYS 62 - HE2 LYS 39 lone 1 57 - 2 - HG2 LYS 62 - HE3 LYS 39 lone 1 57 - 2 - HG3 LYS 60 - HE2 LYS 39 lone 1 59 - 2 - HG3 LYS 60 - HE3 LYS 39 lone 1 59 - 2 - HG2 LYS 60 - HE2 LYS 39 lone 1 59 - 2 - HG2 LYS 60 - HE3 LYS 39 lone 1 59 - 2 - HG3 LYS 49 - HE2 LYS 62 lone 1 59 - 2 - HG3 LYS 49 - HE3 LYS 62 lone 1 57 - 2 - HB2 LYS 27 - HE2 LYS 60 lone 1 98 - 1 - HB2 LYS 27 - HE3 LYS 60 lone 1 98 - 1 - HB2 LYS 27 - HE2 LYS 62 lone 1 97 - 1 - HB2 LYS 27 - HE3 LYS 62 lone 1 96 - 1 - HG3 LYS 58 - HE3 LYS 39 lone 1 32 - 2 - HG3 LYS 58 - HE2 LYS 39 lone 1 32 - 2 - HB2 LYS 27 - HE2 LYS 39 lone 1 55 - 1 - HB2 LYS 27 - HE3 LYS 39 lone 1 55 - 1 - HG3 LYS 58 - HE2 LYS 62 lone 1 64 - 1 - HG3 LYS 58 - HE3 LYS 62 lone 1 63 - 1 - HG3 LYS 58 - HE2 LYS 60 lone 1 65 - 1 - HG3 LYS 58 - HE3 LYS 60 lone 1 65 - 1 - HG3 LYS 58 - HE2 LYS 49 lone 1 64 - 1 - HG3 LYS 58 - HE3 LYS 49 lone 1 64 - 1 - HG3 ARG 56 - HE2 LYS 62 lone 0 67 - 1 - HG3 ARG 56 - HE3 LYS 62 lone 0 65 - 1 - HG3 ARG 56 - HE2 LYS 60 lone 0 68 - 1 - HG3 ARG 56 - HE3 LYS 60 lone 0 68 - 1 - HG3 ARG 56 - HE2 LYS 49 lone 0 67 - 1 - HG3 ARG 56 - HE3 LYS 49 lone 0 67 - 1 - HG3 ARG 56 - HE2 LYS 39 lone 0 33 - 1 - HG3 ARG 56 - HE3 LYS 39 lone 0 33 - 1 - Peak 3001 from cnoeabs.peaks (1.67, 2.98, 42.17 ppm; 2.55 A): 8 out of 88 assignments used, quality = 1.00: HD2 LYS 62 + HE2 LYS 62 OK 74 100 - 75 - 3.0=63, 3130/1.8=3...(13) HD3 LYS 62 + HE2 LYS 62 OK 74 100 - 75 - 3.0=63, 3140/1.8=3...(13) HD2 LYS 62 + HE3 LYS 62 OK 74 99 - 75 - 3.0=63, 3130/1.8=3...(13) HD3 LYS 62 + HE3 LYS 62 OK 74 99 - 75 - 3.0=63, 3140/1.8=3...(13) * HD2 LYS 60 + HE2 LYS 60 OK 71 100 - 71 - 3.0=62, 3130/1.8=3...(9) HD2 LYS 60 + HE3 LYS 60 OK 71 100 - 71 - 3.0=62, 3130/1.8=3...(9) HD3 LYS 60 + HE2 LYS 60 OK 71 100 - 71 - 3.0=62, 3130/1.8=3...(9) HD3 LYS 60 + HE3 LYS 60 OK 71 100 - 71 - 3.0=62, 3130/1.8=3...(9) HD2 LYS 39 - HE3 LYS 39 OK 27 39 - 68 - 3.0=62, 2050/3.6=4...(6) HD2 LYS 39 - HE2 LYS 39 OK 27 39 - 68 - 3.0=62, 2050/3.6=4...(6) HD3 LYS 39 - HE3 LYS 39 OK 27 39 - 68 - 3.0=62, 2050/3.6=4...(6) HD3 LYS 39 - HE2 LYS 39 OK 27 39 - 68 - 3.0=62, 2050/3.6=4...(6) HD2 LYS 62 - HE2 LYS 60 lone 6 100 - 6 - HD2 LYS 62 - HE3 LYS 60 lone 6 100 - 6 - HD3 LYS 62 - HE2 LYS 60 lone 6 100 - 6 - HD3 LYS 62 - HE3 LYS 60 lone 6 100 - 6 - HG13 ILE 50 - HE3 LYS 49 lone 5 82 - 6 - 2.1/4604=2, ~4604=2 HG13 ILE 50 - HE2 LYS 49 lone 5 82 - 6 - 2.1/4604=2, ~4604=2 HD2 LYS 60 - HE2 LYS 62 lone 4 100 - 4 - HD3 LYS 60 - HE2 LYS 62 lone 4 100 - 4 - HD2 LYS 60 - HE3 LYS 62 lone 4 99 - 4 - HD3 LYS 60 - HE3 LYS 62 lone 4 99 - 4 - HB2 LEU 37 - HE3 LYS 49 lone 2 98 - 2 - HB2 LEU 37 - HE2 LYS 49 lone 2 98 - 2 - HB2 LEU 37 - HE2 LYS 39 lone 1 56 - 3 - HB2 LEU 37 - HE3 LYS 39 lone 1 56 - 3 - HD2 LYS 39 - HE3 LYS 49 lone 1 77 - 2 - HD2 LYS 39 - HE2 LYS 49 lone 1 77 - 2 - HD3 LYS 39 - HE2 LYS 49 lone 1 77 - 2 - HD3 LYS 39 - HE3 LYS 49 lone 1 77 - 2 - HD2 LYS 62 - HE3 LYS 49 lone 1 100 - 1 - HD2 LYS 62 - HE2 LYS 49 lone 1 100 - 1 - HD3 LYS 62 - HE3 LYS 49 lone 1 100 - 1 - HD3 LYS 62 - HE2 LYS 49 lone 1 100 - 1 - HD2 LYS 39 - HE2 LYS 60 lone 1 78 - 1 - HD3 LYS 39 - HE2 LYS 60 lone 1 78 - 1 - HD2 LYS 39 - HE3 LYS 60 lone 1 78 - 1 - HD3 LYS 39 - HE3 LYS 60 lone 1 78 - 1 - HG13 ILE 50 - HE2 LYS 60 lone 1 83 - 1 - HG13 ILE 50 - HE3 LYS 60 lone 1 83 - 1 - HD3 LYS 60 - HE3 LYS 49 lone 1 100 - 1 - HD3 LYS 60 - HE2 LYS 49 lone 1 100 - 1 - HD2 LYS 39 - HE2 LYS 62 lone 1 77 - 1 - HD3 LYS 39 - HE2 LYS 62 lone 1 77 - 1 - HG13 ILE 50 - HE2 LYS 62 lone 1 82 - 1 - HD2 LYS 39 - HE3 LYS 62 lone 1 75 - 1 - HD3 LYS 39 - HE3 LYS 62 lone 1 75 - 1 - HG13 ILE 50 - HE3 LYS 62 lone 1 80 - 1 - HD2 LYS 60 - HE2 LYS 49 lone 1 100 - 1 - HD2 LYS 60 - HE3 LYS 49 lone 1 100 - 1 - HB2 LEU 37 - HE2 LYS 62 lone 1 98 - 1 - HB2 LEU 37 - HE2 LYS 60 lone 1 99 - 1 - HB2 LEU 37 - HE3 LYS 60 lone 1 99 - 1 - HB2 LEU 37 - HE3 LYS 62 lone 1 97 - 1 - HD3 LYS 42 - HE2 LYS 49 lone 1 95 - 1 - HD3 LYS 42 - HE3 LYS 49 lone 1 95 - 1 - HG13 ILE 50 - HE3 LYS 39 lone 1 42 - 2 - HG13 ILE 50 - HE2 LYS 39 lone 1 42 - 2 - HD2 LYS 62 - HE3 LYS 39 lone 1 59 - 1 - HD2 LYS 62 - HE2 LYS 39 lone 1 59 - 1 - HD3 LYS 62 - HE3 LYS 39 lone 1 59 - 1 - HD3 LYS 62 - HE2 LYS 39 lone 1 59 - 1 - HG3 LYS 22 - HE2 LYS 49 lone 1 99 - 1 - HG3 LYS 22 - HE3 LYS 49 lone 1 99 - 1 - HD2 LYS 60 - HE2 LYS 39 lone 1 59 - 1 - HD2 LYS 60 - HE3 LYS 39 lone 1 59 - 1 - HD3 LYS 60 - HE3 LYS 39 lone 1 59 - 1 - HD3 LYS 60 - HE2 LYS 39 lone 1 59 - 1 - HG3 LYS 22 - HE2 LYS 62 lone 0 99 - 0 - HG3 LYS 22 - HE3 LYS 62 lone 0 98 - 0 - HG3 LYS 22 - HE2 LYS 60 lone 0 99 - 0 - HG3 LYS 22 - HE3 LYS 60 lone 0 99 - 0 - HD3 LYS 42 - HE2 LYS 62 lone 0 95 - 0 - HD3 LYS 42 - HE3 LYS 62 lone 0 93 - 0 - HD3 LYS 42 - HE2 LYS 60 lone 0 96 - 0 - HD3 LYS 42 - HE3 LYS 60 lone 0 96 - 0 - HG3 LYS 22 - HE3 LYS 39 lone 0 57 - 1 - HG3 LYS 22 - HE2 LYS 39 lone 0 57 - 1 - HB2 LEU 64 - HE2 LYS 60 lone 0 97 - 0 - HB2 LEU 64 - HE3 LYS 60 lone 0 96 - 0 - HB2 LEU 64 - HE2 LYS 62 lone 0 96 - 0 - HB2 LEU 64 - HE3 LYS 62 lone 0 94 - 0 - HB2 LEU 64 - HE3 LYS 49 lone 0 96 - 0 - HB2 LEU 64 - HE2 LYS 49 lone 0 96 - 0 - HD3 LYS 42 - HE2 LYS 39 lone 0 52 - 0 - HD3 LYS 42 - HE3 LYS 39 lone 0 52 - 0 - HB2 LEU 64 - HE3 LYS 39 lone 0 53 - 0 - HB2 LEU 64 - HE2 LYS 39 lone 0 53 - 0 - Peak 3002 from cnoeabs.peaks (1.67, 2.98, 42.17 ppm; 2.93 A): 8 out of 88 assignments used, quality = 1.00: HD2 LYS 62 + HE2 LYS 62 OK 98 100 - 98 - 3.0=96, 3140/1.8=4...(22) HD3 LYS 62 + HE2 LYS 62 OK 98 100 - 98 - 3.0=96, 3140/1.8=4...(22) * HD3 LYS 60 + HE2 LYS 60 OK 97 100 - 97 - 3.0=95, 3140/1.8=4...(12) HD3 LYS 60 + HE3 LYS 60 OK 97 100 - 97 - 3.0=95, 3140/1.8=4...(12) HD2 LYS 60 + HE2 LYS 60 OK 97 100 - 97 - 3.0=95, 3130/1.8=4...(12) HD2 LYS 62 + HE3 LYS 62 OK 97 99 - 98 - 3.0=96, 3140/1.8=4...(22) HD2 LYS 60 + HE3 LYS 60 OK 97 100 - 97 - 3.0=95, 3130/1.8=4...(12) HD3 LYS 62 + HE3 LYS 62 OK 97 99 - 98 - 3.0=96, 3140/1.8=4...(22) HD2 LYS 39 - HE2 LYS 39 OK 35 36 - 96 - 3.0=94, 2040/3.6=5...(7) HD2 LYS 39 - HE3 LYS 39 OK 35 36 - 96 - 3.0=94, 2040/3.6=5...(7) HD3 LYS 39 - HE3 LYS 39 OK 35 36 - 96 - 3.0=94, 2040/3.6=5...(7) HD3 LYS 39 - HE2 LYS 39 OK 35 36 - 96 - 3.0=94, 2040/3.6=5...(7) HD2 LYS 62 - HE2 LYS 60 lone 9 100 - 9 - HD3 LYS 62 - HE2 LYS 60 lone 9 100 - 9 - HD2 LYS 62 - HE3 LYS 60 lone 9 100 - 9 - HD3 LYS 62 - HE3 LYS 60 lone 9 100 - 9 - HG13 ILE 50 - HE3 LYS 49 lone 7 77 - 10 - 2.1/4604=4, ~4604=3 HG13 ILE 50 - HE2 LYS 49 lone 7 77 - 10 - 2.1/4604=4, ~4604=3 HD3 LYS 60 - HE2 LYS 62 lone 6 100 - 6 - HD2 LYS 60 - HE2 LYS 62 lone 6 100 - 6 - HD3 LYS 60 - HE3 LYS 62 lone 6 99 - 6 - HD2 LYS 60 - HE3 LYS 62 lone 6 99 - 6 - HB2 LEU 37 - HE3 LYS 49 lone 3 99 - 3 - HB2 LEU 37 - HE2 LYS 49 lone 3 99 - 3 - HB2 LEU 37 - HE2 LYS 39 lone 2 57 - 4 - 3.1/4383=1 HB2 LEU 37 - HE3 LYS 39 lone 2 57 - 4 - 3.1/4383=1 HD2 LYS 39 - HE2 LYS 49 lone 2 72 - 3 - HD2 LYS 39 - HE3 LYS 49 lone 2 72 - 3 - HD3 LYS 39 - HE2 LYS 49 lone 2 72 - 3 - HD3 LYS 39 - HE3 LYS 49 lone 2 72 - 3 - HD3 LYS 62 - HE3 LYS 49 lone 2 100 - 2 - HD3 LYS 62 - HE2 LYS 49 lone 2 100 - 2 - HD2 LYS 62 - HE3 LYS 49 lone 2 100 - 2 - HD2 LYS 62 - HE2 LYS 49 lone 2 100 - 2 - HB2 LEU 37 - HE2 LYS 62 lone 1 99 - 1 - HB2 LEU 37 - HE3 LYS 62 lone 1 98 - 1 - HD3 LYS 60 - HE2 LYS 49 lone 1 100 - 1 - HD3 LYS 60 - HE3 LYS 49 lone 1 100 - 1 - HB2 LEU 37 - HE2 LYS 60 lone 1 99 - 1 - HB2 LEU 37 - HE3 LYS 60 lone 1 99 - 1 - HD2 LYS 60 - HE2 LYS 49 lone 1 100 - 1 - HD2 LYS 60 - HE3 LYS 49 lone 1 100 - 1 - HG13 ILE 50 - HE2 LYS 60 lone 1 78 - 2 - HG13 ILE 50 - HE3 LYS 60 lone 1 78 - 2 - HG13 ILE 50 - HE2 LYS 62 lone 1 77 - 2 - HD2 LYS 39 - HE2 LYS 60 lone 1 73 - 2 - HD3 LYS 39 - HE2 LYS 60 lone 1 73 - 2 - HD3 LYS 39 - HE3 LYS 60 lone 1 73 - 2 - HD2 LYS 39 - HE3 LYS 60 lone 1 73 - 2 - HD2 LYS 39 - HE2 LYS 62 lone 1 72 - 2 - HD3 LYS 39 - HE2 LYS 62 lone 1 72 - 2 - HG13 ILE 50 - HE3 LYS 62 lone 1 75 - 2 - HD3 LYS 39 - HE3 LYS 62 lone 1 71 - 2 - HD2 LYS 39 - HE3 LYS 62 lone 1 71 - 2 - HD3 LYS 42 - HE2 LYS 49 lone 1 97 - 1 - HD3 LYS 42 - HE3 LYS 49 lone 1 97 - 1 - HG13 ILE 50 - HE2 LYS 39 lone 1 39 - 2 - HG13 ILE 50 - HE3 LYS 39 lone 1 39 - 2 - HD2 LYS 62 - HE2 LYS 39 lone 1 59 - 2 - HD2 LYS 62 - HE3 LYS 39 lone 1 59 - 2 - HD3 LYS 62 - HE2 LYS 39 lone 1 59 - 2 - HD3 LYS 62 - HE3 LYS 39 lone 1 59 - 2 - HG3 LYS 22 - HE3 LYS 49 lone 1 98 - 1 - HG3 LYS 22 - HE2 LYS 49 lone 1 98 - 1 - HD2 LYS 60 - HE3 LYS 39 lone 1 59 - 1 - HD2 LYS 60 - HE2 LYS 39 lone 1 59 - 1 - HD3 LYS 60 - HE2 LYS 39 lone 1 59 - 1 - HD3 LYS 60 - HE3 LYS 39 lone 1 59 - 1 - HG3 LYS 22 - HE2 LYS 62 lone 1 98 - 1 - HG3 LYS 22 - HE3 LYS 62 lone 1 97 - 1 - HD3 LYS 42 - HE2 LYS 62 lone 1 97 - 1 - HG3 LYS 22 - HE2 LYS 60 lone 1 99 - 1 - HD3 LYS 42 - HE3 LYS 62 lone 1 95 - 1 - HG3 LYS 22 - HE3 LYS 60 lone 1 99 - 1 - HD3 LYS 42 - HE2 LYS 60 lone 1 97 - 1 - HD3 LYS 42 - HE3 LYS 60 lone 1 97 - 1 - HG3 LYS 22 - HE2 LYS 39 lone 1 56 - 1 - HG3 LYS 22 - HE3 LYS 39 lone 1 56 - 1 - HB2 LEU 64 - HE2 LYS 60 lone 0 98 - 0 - HB2 LEU 64 - HE3 LYS 60 lone 0 98 - 0 - HB2 LEU 64 - HE2 LYS 62 lone 0 97 - 0 - HB2 LEU 64 - HE3 LYS 62 lone 0 96 - 0 - HB2 LEU 64 - HE3 LYS 49 lone 0 97 - 0 - HB2 LEU 64 - HE2 LYS 49 lone 0 97 - 0 - HD3 LYS 42 - HE3 LYS 39 lone 0 54 - 1 - HD3 LYS 42 - HE2 LYS 39 lone 0 54 - 1 - HB2 LEU 64 - HE2 LYS 39 lone 0 55 - 0 - HB2 LEU 64 - HE3 LYS 39 lone 0 55 - 0 - Peak 3003 from cnoeabs.peaks (2.98, 2.98, 42.17 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: * HE2 LYS 60 + HE2 LYS 60 OK 100 100 - 100 HE3 LYS 60 + HE3 LYS 60 OK 100 100 - 100 HE2 LYS 62 + HE2 LYS 62 OK 100 100 - 100 HE3 LYS 49 + HE3 LYS 49 OK 100 100 - 100 HE2 LYS 49 + HE2 LYS 49 OK 100 100 - 100 HE3 LYS 62 + HE3 LYS 62 OK 98 98 - 100 HE2 LYS 39 + HE2 LYS 39 OK 59 59 - 100 HE3 LYS 39 + HE3 LYS 39 OK 59 59 - 100 Peak 3004 from cnoeabs.peaks (2.98, 2.98, 42.17 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: HE2 LYS 60 + HE2 LYS 60 OK 100 100 - 100 HE3 LYS 60 + HE3 LYS 60 OK 100 100 - 100 HE2 LYS 62 + HE2 LYS 62 OK 100 100 - 100 HE3 LYS 49 + HE3 LYS 49 OK 99 99 - 100 HE2 LYS 49 + HE2 LYS 49 OK 99 99 - 100 HE3 LYS 62 + HE3 LYS 62 OK 99 99 - 100 HE2 LYS 39 + HE2 LYS 39 OK 59 59 - 100 HE3 LYS 39 + HE3 LYS 39 OK 59 59 - 100 Reference assignment not found: HE3 LYS 60 - HE2 LYS 60 Peak 3007 from cnoeabs.peaks (1.83, 2.98, 42.17 ppm; 3.95 A): 4 out of 72 assignments used, quality = 1.00: HB2 LYS 62 + HE2 LYS 62 OK 90 99 - 91 - 4.6=63, 1.8/2998=7...(52) HB2 LYS 62 + HE3 LYS 62 OK 89 98 - 91 - 4.6=63, 1.8/3144=7...(52) HB2 LYS 60 + HE2 LYS 60 OK 85 100 - 85 - 4.9=52, 1.8/2998=7...(43) * HB2 LYS 60 + HE3 LYS 60 OK 85 100 - 85 - 4.9=52, 1.8/2998=7...(43) HB2 LYS 62 - HE3 LYS 60 OK 19 99 - 19 - 1.8/2998=1, ~2998=1...(5) HB2 LYS 62 - HE2 LYS 60 OK 19 99 - 19 - 1.8/2998=1, ~2998=1...(5) HB2 LYS 60 - HE2 LYS 62 OK 18 100 - 18 - 1.8/2998=1, ~3154=1...(5) HB2 LYS 60 - HE3 LYS 62 OK 18 99 - 18 - 1.8/3008=1, ~2998=1...(5) HB2 ARG 61 - HE2 LYS 62 lone 4 72 - 5 - 818/7.4=3 HB2 ARG 61 - HE3 LYS 62 lone 4 71 - 5 - 818/7.4=3 HB3 ARG 34 - HE2 LYS 49 lone 3 71 - 4 - HB3 ARG 34 - HE3 LYS 49 lone 3 71 - 4 - HB2 LYS 62 - HE3 LYS 49 lone 3 98 - 3 - HB2 LYS 62 - HE2 LYS 49 lone 3 98 - 3 - HB2 LYS 60 - HE3 LYS 49 lone 2 99 - 2 - HB2 LYS 60 - HE2 LYS 49 lone 2 99 - 2 - HD2 LYS 22 - HE3 LYS 49 lone 2 89 - 2 - HD2 LYS 22 - HE2 LYS 49 lone 2 89 - 2 - HB3 GLN 47 - HE3 LYS 49 lone 2 97 - 2 - HB3 GLN 47 - HE2 LYS 49 lone 2 97 - 2 - HB2 LYS 62 - HE2 LYS 39 lone 1 56 - 2 - HB2 LYS 62 - HE3 LYS 39 lone 1 56 - 2 - HD2 LYS 22 - HE2 LYS 62 lone 1 89 - 1 - HD2 LYS 22 - HE3 LYS 62 lone 1 88 - 1 - HB2 LYS 60 - HE2 LYS 39 lone 1 59 - 2 - HB2 LYS 60 - HE3 LYS 39 lone 1 59 - 2 - HB2 ARG 61 - HE3 LYS 60 lone 1 73 - 2 - HB2 ARG 61 - HE2 LYS 60 lone 1 73 - 2 - HB3 GLN 47 - HE2 LYS 62 lone 1 97 - 1 - HB3 ARG 34 - HE2 LYS 62 lone 1 72 - 2 - HB3 GLN 47 - HE3 LYS 62 lone 1 97 - 1 - HB3 ARG 34 - HE3 LYS 62 lone 1 71 - 2 - HD2 LYS 22 - HE2 LYS 60 lone 1 90 - 1 - HD2 LYS 22 - HE3 LYS 60 lone 1 90 - 1 - HB2 ARG 61 - HE2 LYS 49 lone 1 71 - 2 - HB2 ARG 61 - HE3 LYS 49 lone 1 71 - 2 - HB3 ARG 34 - HE3 LYS 60 lone 1 73 - 2 - HB3 ARG 34 - HE2 LYS 60 lone 1 73 - 2 - HB ILE 17 - HE2 LYS 62 lone 1 100 - 1 - HB3 GLN 47 - HE2 LYS 60 lone 1 98 - 1 - HB3 GLN 47 - HE3 LYS 60 lone 1 98 - 1 - HB ILE 17 - HE3 LYS 62 lone 1 99 - 1 - HB ILE 17 - HE3 LYS 60 lone 1 100 - 1 - HB ILE 17 - HE2 LYS 60 lone 1 100 - 1 - HB ILE 17 - HE2 LYS 49 lone 1 99 - 1 - HB ILE 17 - HE3 LYS 49 lone 1 99 - 1 - HB3 GLN 47 - HE2 LYS 39 lone 1 55 - 2 - HB3 GLN 47 - HE3 LYS 39 lone 1 55 - 2 - HG2 ARG 21 - HE2 LYS 49 lone 1 71 - 2 - HG2 ARG 21 - HE3 LYS 49 lone 1 71 - 2 - HB3 MET 11 - HE2 LYS 62 lone 1 100 - 1 - HB3 MET 11 - HE3 LYS 62 lone 1 99 - 1 - HB3 MET 11 - HE3 LYS 49 lone 1 99 - 1 - HB3 MET 11 - HE2 LYS 49 lone 1 99 - 1 - HB3 MET 11 - HE2 LYS 60 lone 1 100 - 1 - HB3 MET 11 - HE3 LYS 60 lone 1 100 - 1 - HG2 ARG 21 - HE2 LYS 62 lone 1 72 - 1 - HG2 ARG 21 - HE3 LYS 62 lone 1 71 - 1 - HG2 ARG 21 - HE3 LYS 60 lone 1 73 - 1 - HG2 ARG 21 - HE2 LYS 60 lone 1 73 - 1 - HD2 LYS 22 - HE3 LYS 39 lone 1 48 - 2 - HD2 LYS 22 - HE2 LYS 39 lone 1 48 - 2 - HB3 ARG 34 - HE2 LYS 39 lone 1 36 - 2 - HB3 ARG 34 - HE3 LYS 39 lone 1 36 - 2 - HB ILE 17 - HE2 LYS 39 lone 1 58 - 1 - HB ILE 17 - HE3 LYS 39 lone 1 58 - 1 - HB3 MET 11 - HE2 LYS 39 lone 1 59 - 1 - HB3 MET 11 - HE3 LYS 39 lone 1 59 - 1 - HG2 ARG 21 - HE3 LYS 39 lone 1 36 - 2 - HG2 ARG 21 - HE2 LYS 39 lone 1 36 - 2 - HB2 ARG 61 - HE2 LYS 39 lone 0 36 - 1 - HB2 ARG 61 - HE3 LYS 39 lone 0 36 - 1 - Peak 3008 from cnoeabs.peaks (1.78, 2.98, 42.17 ppm; 4.06 A): 4 out of 32 assignments used, quality = 1.00: HB3 LYS 62 + HE2 LYS 62 OK 91 100 - 92 - 4.6=68, 3134/3.0=10...(47) HB3 LYS 62 + HE3 LYS 62 OK 91 99 - 92 - 4.6=68, 3134/3.0=10...(47) HB3 LYS 60 + HE2 LYS 60 OK 85 100 - 85 - 4.9=56, 2978/3.0=9...(38) * HB3 LYS 60 + HE3 LYS 60 OK 85 100 - 85 - 4.9=56, 2978/3.0=9...(38) HB3 LYS 62 - HE2 LYS 60 OK 19 100 - 19 - 1.8/3143=1, 2978/3.0=1...(7) HB3 LYS 62 - HE3 LYS 60 OK 19 100 - 19 - 1.8/3143=1, 2978/3.0=1...(7) HB3 LYS 60 - HE2 LYS 62 OK 18 100 - 18 - 1.8/2997=1, 819/7.4=1...(5) HB3 LYS 60 - HE3 LYS 62 OK 18 99 - 18 - 1.8/3007=1, 819/7.4=1...(4) HB3 LYS 62 - HE3 LYS 49 lone 3 99 - 3 - HB3 LYS 62 - HE2 LYS 49 lone 3 99 - 3 - HB3 LYS 60 - HE3 LYS 49 lone 2 99 - 2 - HB3 LYS 60 - HE2 LYS 49 lone 2 99 - 2 - HB3 LYS 62 - HE3 LYS 39 lone 2 58 - 3 - HB3 LYS 62 - HE2 LYS 39 lone 2 58 - 3 - HB2 PRO 32 - HE2 LYS 49 lone 1 85 - 2 - HB2 PRO 32 - HE3 LYS 49 lone 1 85 - 2 - HB3 LYS 60 - HE3 LYS 39 lone 1 59 - 2 - HB3 LYS 60 - HE2 LYS 39 lone 1 59 - 2 - HB2 LYS 58 - HE2 LYS 62 lone 1 72 - 2 - HB2 LYS 58 - HE3 LYS 62 lone 1 71 - 2 - HB2 LYS 58 - HE3 LYS 60 lone 1 73 - 2 - HB2 LYS 58 - HE2 LYS 60 lone 1 73 - 2 - HB2 PRO 32 - HE2 LYS 62 lone 1 86 - 1 - HB2 LYS 58 - HE2 LYS 39 lone 1 36 - 3 - HB2 LYS 58 - HE3 LYS 39 lone 1 36 - 3 - HB2 PRO 32 - HE3 LYS 62 lone 1 85 - 1 - HB2 PRO 32 - HE3 LYS 60 lone 1 87 - 1 - HB2 PRO 32 - HE2 LYS 60 lone 1 87 - 1 - HB2 LYS 58 - HE3 LYS 49 lone 1 71 - 1 - HB2 LYS 58 - HE2 LYS 49 lone 1 71 - 1 - HB2 PRO 32 - HE2 LYS 39 lone 0 45 - 1 - HB2 PRO 32 - HE3 LYS 39 lone 0 45 - 1 - Peak 3009 from cnoeabs.peaks (1.43, 2.98, 42.17 ppm; 3.24 A): 12 out of 80 assignments used, quality = 1.00: HG2 LYS 62 + HE2 LYS 62 OK 82 99 - 83 - 3.7=65, 2.9/2998=4...(40) HG3 LYS 62 + HE2 LYS 62 OK 82 99 - 83 - 3.7=65, 2.9/2998=4...(40) HG3 LYS 62 + HE3 LYS 62 OK 81 98 - 83 - 3.7=65, 2.9/3144=4...(40) HG2 LYS 62 + HE3 LYS 62 OK 81 98 - 83 - 3.7=65, 2.9/3144=4...(40) HG2 LYS 60 + HE2 LYS 60 OK 79 100 - 79 - 3.9=56, 3.0/2998=4...(40) * HG2 LYS 60 + HE3 LYS 60 OK 79 100 - 79 - 3.9=56, 3.0/2998=4...(40) HG3 LYS 60 + HE3 LYS 60 OK 79 100 - 79 - 3.9=56, 3.0/2998=4...(40) HG3 LYS 60 + HE2 LYS 60 OK 79 100 - 79 - 3.9=56, 3.0/2998=4...(40) HG3 LYS 49 + HE2 LYS 49 OK 55 61 - 90 - 3.6=72, 1.8/2465=9...(27) HG3 LYS 49 + HE3 LYS 49 OK 55 61 - 90 - 3.6=72, 1.8/2465=9...(27) HG2 LYS 39 + HE2 LYS 39 OK 49 58 - 85 - 3.6=72, ~2032=6, ~2031=6...(24) HG2 LYS 39 + HE3 LYS 39 OK 49 58 - 85 - 3.6=72, ~2032=6, ~2031=6...(24) HG2 LYS 62 - HE3 LYS 60 OK 11 99 - 11 - HG3 LYS 62 - HE3 LYS 60 OK 11 99 - 11 - HG2 LYS 62 - HE2 LYS 60 OK 11 99 - 11 - HG3 LYS 62 - HE2 LYS 60 OK 11 99 - 11 - HG2 LYS 60 - HE2 LYS 62 OK 10 100 - 10 - HG3 LYS 60 - HE2 LYS 62 OK 10 100 - 10 - HG2 LYS 60 - HE3 LYS 62 OK 10 99 - 10 - HG3 LYS 60 - HE3 LYS 62 OK 10 99 - 10 - HG2 LYS 39 - HE2 LYS 49 lone 5 99 - 5 - HG2 LYS 39 - HE3 LYS 49 lone 5 99 - 5 - HG2 LYS 39 - HE2 LYS 62 lone 3 99 - 3 - HG2 LYS 39 - HE3 LYS 62 lone 3 99 - 3 - HG2 LYS 39 - HE3 LYS 60 lone 3 100 - 3 - HG2 LYS 39 - HE2 LYS 60 lone 3 100 - 3 - HB2 LYS 27 - HE2 LYS 49 lone 2 97 - 2 - HB2 LYS 27 - HE3 LYS 49 lone 2 97 - 2 - HG3 LYS 49 - HE2 LYS 39 lone 2 30 - 7 - HG3 LYS 49 - HE3 LYS 39 lone 2 30 - 7 - HB3 LEU 41 - HE3 LYS 39 lone 2 59 - 3 - 1989/6.1=1 HB3 LEU 41 - HE2 LYS 39 lone 2 59 - 3 - 1989/6.1=1 HG2 LYS 62 - HE2 LYS 49 lone 2 98 - 2 - HG2 LYS 62 - HE3 LYS 49 lone 2 98 - 2 - HG3 LYS 62 - HE3 LYS 49 lone 2 98 - 2 - HG3 LYS 62 - HE2 LYS 49 lone 2 98 - 2 - HB3 LEU 41 - HE3 LYS 49 lone 2 99 - 2 - HB3 LEU 41 - HE2 LYS 49 lone 2 99 - 2 - HG2 LYS 60 - HE3 LYS 49 lone 2 99 - 1 - HG2 LYS 60 - HE2 LYS 49 lone 2 99 - 1 - HG3 LYS 60 - HE2 LYS 49 lone 2 99 - 1 - HG3 LYS 60 - HE3 LYS 49 lone 2 99 - 1 - HG3 LYS 49 - HE3 LYS 60 lone 1 63 - 2 - HG3 LYS 49 - HE2 LYS 60 lone 1 63 - 2 - HB3 LEU 41 - HE3 LYS 60 lone 1 100 - 1 - HB3 LEU 41 - HE2 LYS 60 lone 1 100 - 1 - HB3 LEU 41 - HE2 LYS 62 lone 1 100 - 1 - HB3 LEU 41 - HE3 LYS 62 lone 1 99 - 1 - HG2 LYS 62 - HE2 LYS 39 lone 1 56 - 2 - HG3 LYS 62 - HE3 LYS 39 lone 1 56 - 2 - HG3 LYS 62 - HE2 LYS 39 lone 1 56 - 2 - HG2 LYS 62 - HE3 LYS 39 lone 1 56 - 2 - HG3 LYS 60 - HE2 LYS 39 lone 1 59 - 2 - HG3 LYS 60 - HE3 LYS 39 lone 1 59 - 2 - HG2 LYS 60 - HE2 LYS 39 lone 1 59 - 2 - HG2 LYS 60 - HE3 LYS 39 lone 1 59 - 2 - HG3 LYS 49 - HE2 LYS 62 lone 1 62 - 2 - HG3 LYS 49 - HE3 LYS 62 lone 1 61 - 2 - HB2 LYS 27 - HE2 LYS 60 lone 1 99 - 1 - HB2 LYS 27 - HE3 LYS 60 lone 1 99 - 1 - HB2 LYS 27 - HE2 LYS 62 lone 1 98 - 1 - HB2 LYS 27 - HE3 LYS 62 lone 1 97 - 1 - HB2 LYS 27 - HE2 LYS 39 lone 1 56 - 1 - HB2 LYS 27 - HE3 LYS 39 lone 1 56 - 1 - HG3 LYS 58 - HE3 LYS 39 lone 1 30 - 2 - HG3 LYS 58 - HE2 LYS 39 lone 1 30 - 2 - HG3 LYS 58 - HE2 LYS 62 lone 1 62 - 1 - HG3 LYS 58 - HE3 LYS 62 lone 1 61 - 1 - HG3 LYS 58 - HE3 LYS 60 lone 1 63 - 1 - HG3 LYS 58 - HE2 LYS 60 lone 1 63 - 1 - HG3 LYS 58 - HE2 LYS 49 lone 0 61 - 1 - HG3 LYS 58 - HE3 LYS 49 lone 0 61 - 1 - HG3 ARG 56 - HE2 LYS 62 lone 0 65 - 1 - HG3 ARG 56 - HE3 LYS 62 lone 0 64 - 1 - HG3 ARG 56 - HE3 LYS 60 lone 0 65 - 1 - HG3 ARG 56 - HE2 LYS 60 lone 0 65 - 1 - HG3 ARG 56 - HE2 LYS 49 lone 0 64 - 1 - HG3 ARG 56 - HE3 LYS 49 lone 0 64 - 1 - HG3 ARG 56 - HE2 LYS 39 lone 0 31 - 1 - HG3 ARG 56 - HE3 LYS 39 lone 0 31 - 1 - Peak 3010 from cnoeabs.peaks (1.43, 2.98, 42.17 ppm; 3.24 A): 12 out of 80 assignments used, quality = 1.00: HG2 LYS 62 + HE2 LYS 62 OK 82 99 - 83 - 3.7=65, 2.9/2998=4...(40) HG3 LYS 62 + HE2 LYS 62 OK 82 99 - 83 - 3.7=65, 2.9/2998=4...(40) HG3 LYS 62 + HE3 LYS 62 OK 82 98 - 83 - 3.7=65, 2.9/3144=4...(40) HG2 LYS 62 + HE3 LYS 62 OK 82 98 - 83 - 3.7=65, 2.9/3144=4...(40) HG2 LYS 60 + HE3 LYS 60 OK 79 100 - 79 - 3.9=56, 3.0/2998=4...(40) HG3 LYS 60 + HE2 LYS 60 OK 79 100 - 79 - 3.9=56, 3.0/2998=4...(40) HG2 LYS 60 + HE2 LYS 60 OK 79 100 - 79 - 3.9=56, 3.0/2998=4...(40) * HG3 LYS 60 + HE3 LYS 60 OK 79 100 - 79 - 3.9=56, 3.0/2998=4...(40) HG3 LYS 49 + HE2 LYS 49 OK 52 58 - 90 - 3.6=72, 1.8/2465=9...(27) HG3 LYS 49 + HE3 LYS 49 OK 52 58 - 90 - 3.6=72, 1.8/2465=9...(27) HG2 LYS 39 + HE2 LYS 39 OK 50 58 - 85 - 3.6=72, ~2032=6, ~2031=6...(24) HG2 LYS 39 + HE3 LYS 39 OK 50 58 - 85 - 3.6=72, ~2032=6, ~2031=6...(24) HG2 LYS 62 - HE3 LYS 60 OK 11 99 - 11 - HG3 LYS 62 - HE3 LYS 60 OK 11 99 - 11 - HG2 LYS 62 - HE2 LYS 60 OK 11 99 - 11 - HG3 LYS 62 - HE2 LYS 60 OK 11 99 - 11 - HG2 LYS 60 - HE2 LYS 62 OK 10 100 - 10 - HG3 LYS 60 - HE2 LYS 62 OK 10 100 - 10 - HG3 LYS 60 - HE3 LYS 62 OK 10 99 - 10 - HG2 LYS 60 - HE3 LYS 62 OK 10 99 - 10 - HG2 LYS 39 - HE2 LYS 49 lone 5 99 - 5 - HG2 LYS 39 - HE3 LYS 49 lone 5 99 - 5 - HG2 LYS 39 - HE2 LYS 62 lone 3 100 - 3 - HG2 LYS 39 - HE3 LYS 62 lone 3 99 - 3 - HG2 LYS 39 - HE3 LYS 60 lone 3 100 - 3 - HG2 LYS 39 - HE2 LYS 60 lone 3 100 - 3 - HB2 LYS 27 - HE2 LYS 49 lone 2 97 - 2 - HB2 LYS 27 - HE3 LYS 49 lone 2 97 - 2 - HG3 LYS 49 - HE2 LYS 39 lone 2 28 - 7 - HG3 LYS 49 - HE3 LYS 39 lone 2 28 - 7 - HB3 LEU 41 - HE3 LYS 39 lone 2 59 - 3 - 1989/6.1=1 HB3 LEU 41 - HE2 LYS 39 lone 2 59 - 3 - 1989/6.1=1 HG2 LYS 62 - HE2 LYS 49 lone 2 98 - 2 - HG2 LYS 62 - HE3 LYS 49 lone 2 98 - 2 - HG3 LYS 62 - HE3 LYS 49 lone 2 98 - 2 - HG3 LYS 62 - HE2 LYS 49 lone 2 98 - 2 - HB3 LEU 41 - HE3 LYS 49 lone 2 99 - 2 - HB3 LEU 41 - HE2 LYS 49 lone 2 99 - 2 - HG3 LYS 60 - HE3 LYS 49 lone 2 99 - 1 - HG3 LYS 60 - HE2 LYS 49 lone 2 99 - 1 - HG2 LYS 60 - HE2 LYS 49 lone 2 99 - 1 - HG2 LYS 60 - HE3 LYS 49 lone 2 99 - 1 - HG3 LYS 49 - HE3 LYS 60 lone 1 60 - 2 - HG3 LYS 49 - HE2 LYS 60 lone 1 60 - 2 - HB3 LEU 41 - HE3 LYS 60 lone 1 100 - 1 - HB3 LEU 41 - HE2 LYS 60 lone 1 100 - 1 - HB3 LEU 41 - HE2 LYS 62 lone 1 100 - 1 - HB3 LEU 41 - HE3 LYS 62 lone 1 99 - 1 - HG2 LYS 62 - HE2 LYS 39 lone 1 57 - 2 - HG3 LYS 62 - HE3 LYS 39 lone 1 57 - 2 - HG3 LYS 62 - HE2 LYS 39 lone 1 57 - 2 - HG2 LYS 62 - HE3 LYS 39 lone 1 57 - 2 - HG3 LYS 60 - HE2 LYS 39 lone 1 59 - 2 - HG3 LYS 60 - HE3 LYS 39 lone 1 59 - 2 - HG2 LYS 60 - HE2 LYS 39 lone 1 59 - 2 - HG2 LYS 60 - HE3 LYS 39 lone 1 59 - 2 - HG3 LYS 49 - HE2 LYS 62 lone 1 59 - 2 - HG3 LYS 49 - HE3 LYS 62 lone 1 58 - 2 - HB2 LYS 27 - HE3 LYS 60 lone 1 98 - 1 - HB2 LYS 27 - HE2 LYS 60 lone 1 98 - 1 - HB2 LYS 27 - HE2 LYS 62 lone 1 97 - 1 - HB2 LYS 27 - HE3 LYS 62 lone 1 97 - 1 - HG3 LYS 58 - HE2 LYS 39 lone 1 31 - 2 - HG3 LYS 58 - HE3 LYS 39 lone 1 31 - 2 - HG3 LYS 58 - HE2 LYS 62 lone 1 65 - 1 - HB2 LYS 27 - HE2 LYS 39 lone 1 55 - 1 - HB2 LYS 27 - HE3 LYS 39 lone 1 55 - 1 - HG3 LYS 58 - HE3 LYS 62 lone 1 64 - 1 - HG3 LYS 58 - HE3 LYS 60 lone 1 65 - 1 - HG3 LYS 58 - HE2 LYS 60 lone 1 65 - 1 - HG3 LYS 58 - HE2 LYS 49 lone 1 64 - 1 - HG3 LYS 58 - HE3 LYS 49 lone 1 64 - 1 - HG3 ARG 56 - HE2 LYS 62 lone 0 67 - 1 - HG3 ARG 56 - HE3 LYS 62 lone 0 66 - 1 - HG3 ARG 56 - HE3 LYS 60 lone 0 68 - 1 - HG3 ARG 56 - HE2 LYS 60 lone 0 68 - 1 - HG3 ARG 56 - HE2 LYS 49 lone 0 66 - 1 - HG3 ARG 56 - HE3 LYS 49 lone 0 66 - 1 - HG3 ARG 56 - HE2 LYS 39 lone 0 33 - 1 - HG3 ARG 56 - HE3 LYS 39 lone 0 33 - 1 - Peak 3011 from cnoeabs.peaks (1.67, 2.98, 42.17 ppm; 2.55 A): 8 out of 88 assignments used, quality = 1.00: HD2 LYS 62 + HE2 LYS 62 OK 74 100 - 75 - 3.0=63, 3130/1.8=3...(13) HD3 LYS 62 + HE2 LYS 62 OK 74 100 - 75 - 3.0=63, 3140/1.8=3...(13) HD2 LYS 62 + HE3 LYS 62 OK 74 99 - 75 - 3.0=63, 3130/1.8=3...(13) HD3 LYS 62 + HE3 LYS 62 OK 74 99 - 75 - 3.0=63, 3140/1.8=3...(13) HD2 LYS 60 + HE2 LYS 60 OK 71 100 - 71 - 3.0=62, 3130/1.8=3...(9) * HD2 LYS 60 + HE3 LYS 60 OK 71 100 - 71 - 3.0=62, 3130/1.8=3...(9) HD3 LYS 60 + HE3 LYS 60 OK 71 100 - 71 - 3.0=62, 3130/1.8=3...(9) HD3 LYS 60 + HE2 LYS 60 OK 71 100 - 71 - 3.0=62, 3130/1.8=3...(9) HD3 LYS 39 - HE2 LYS 39 OK 27 39 - 68 - 3.0=62, 2050/3.6=4...(6) HD2 LYS 39 - HE2 LYS 39 OK 27 39 - 68 - 3.0=62, 2050/3.6=4...(6) HD2 LYS 39 - HE3 LYS 39 OK 27 39 - 68 - 3.0=62, 2050/3.6=4...(6) HD3 LYS 39 - HE3 LYS 39 OK 27 39 - 68 - 3.0=62, 2050/3.6=4...(6) HD2 LYS 62 - HE2 LYS 60 lone 6 100 - 6 - HD2 LYS 62 - HE3 LYS 60 lone 6 100 - 6 - HD3 LYS 62 - HE2 LYS 60 lone 6 100 - 6 - HD3 LYS 62 - HE3 LYS 60 lone 6 100 - 6 - HG13 ILE 50 - HE3 LYS 49 lone 5 81 - 6 - 2.1/4604=2, ~4604=2 HG13 ILE 50 - HE2 LYS 49 lone 5 81 - 6 - 2.1/4604=2, ~4604=2 HD2 LYS 60 - HE2 LYS 62 lone 4 100 - 4 - HD3 LYS 60 - HE2 LYS 62 lone 4 100 - 4 - HD2 LYS 60 - HE3 LYS 62 lone 4 99 - 4 - HD3 LYS 60 - HE3 LYS 62 lone 4 99 - 4 - HB2 LEU 37 - HE3 LYS 49 lone 2 97 - 2 - HB2 LEU 37 - HE2 LYS 49 lone 2 97 - 2 - HB2 LEU 37 - HE2 LYS 39 lone 1 56 - 3 - HB2 LEU 37 - HE3 LYS 39 lone 1 56 - 3 - HD2 LYS 39 - HE3 LYS 49 lone 1 76 - 2 - HD2 LYS 39 - HE2 LYS 49 lone 1 76 - 2 - HD3 LYS 39 - HE2 LYS 49 lone 1 76 - 2 - HD3 LYS 39 - HE3 LYS 49 lone 1 76 - 2 - HD2 LYS 62 - HE2 LYS 49 lone 1 99 - 1 - HD2 LYS 62 - HE3 LYS 49 lone 1 99 - 1 - HD3 LYS 62 - HE3 LYS 49 lone 1 99 - 1 - HD3 LYS 62 - HE2 LYS 49 lone 1 99 - 1 - HD2 LYS 39 - HE3 LYS 60 lone 1 78 - 1 - HD3 LYS 39 - HE3 LYS 60 lone 1 78 - 1 - HD2 LYS 39 - HE2 LYS 60 lone 1 78 - 1 - HD3 LYS 39 - HE2 LYS 60 lone 1 78 - 1 - HG13 ILE 50 - HE3 LYS 60 lone 1 83 - 1 - HG13 ILE 50 - HE2 LYS 60 lone 1 83 - 1 - HD3 LYS 60 - HE3 LYS 49 lone 1 99 - 1 - HD3 LYS 60 - HE2 LYS 49 lone 1 99 - 1 - HD3 LYS 39 - HE2 LYS 62 lone 1 77 - 1 - HD2 LYS 39 - HE2 LYS 62 lone 1 77 - 1 - HG13 ILE 50 - HE2 LYS 62 lone 1 82 - 1 - HD3 LYS 39 - HE3 LYS 62 lone 1 76 - 1 - HD2 LYS 39 - HE3 LYS 62 lone 1 76 - 1 - HG13 ILE 50 - HE3 LYS 62 lone 1 81 - 1 - HD2 LYS 60 - HE2 LYS 49 lone 1 99 - 1 - HD2 LYS 60 - HE3 LYS 49 lone 1 99 - 1 - HB2 LEU 37 - HE2 LYS 62 lone 1 98 - 1 - HB2 LEU 37 - HE3 LYS 60 lone 1 99 - 1 - HB2 LEU 37 - HE2 LYS 60 lone 1 99 - 1 - HB2 LEU 37 - HE3 LYS 62 lone 1 97 - 1 - HD3 LYS 42 - HE2 LYS 49 lone 1 94 - 1 - HD3 LYS 42 - HE3 LYS 49 lone 1 94 - 1 - HG13 ILE 50 - HE2 LYS 39 lone 1 42 - 2 - HG13 ILE 50 - HE3 LYS 39 lone 1 42 - 2 - HD2 LYS 62 - HE2 LYS 39 lone 1 58 - 1 - HD2 LYS 62 - HE3 LYS 39 lone 1 58 - 1 - HD3 LYS 62 - HE3 LYS 39 lone 1 58 - 1 - HD3 LYS 62 - HE2 LYS 39 lone 1 58 - 1 - HG3 LYS 22 - HE2 LYS 49 lone 1 98 - 1 - HG3 LYS 22 - HE3 LYS 49 lone 1 98 - 1 - HD2 LYS 60 - HE2 LYS 39 lone 1 59 - 1 - HD2 LYS 60 - HE3 LYS 39 lone 1 59 - 1 - HD3 LYS 60 - HE2 LYS 39 lone 1 58 - 1 - HD3 LYS 60 - HE3 LYS 39 lone 1 58 - 1 - HG3 LYS 22 - HE2 LYS 62 lone 0 99 - 0 - HG3 LYS 22 - HE3 LYS 62 lone 0 98 - 0 - HG3 LYS 22 - HE2 LYS 60 lone 0 99 - 0 - HG3 LYS 22 - HE3 LYS 60 lone 0 99 - 0 - HD3 LYS 42 - HE2 LYS 62 lone 0 95 - 0 - HD3 LYS 42 - HE3 LYS 62 lone 0 94 - 0 - HD3 LYS 42 - HE2 LYS 60 lone 0 96 - 0 - HD3 LYS 42 - HE3 LYS 60 lone 0 96 - 0 - HG3 LYS 22 - HE3 LYS 39 lone 0 57 - 1 - HG3 LYS 22 - HE2 LYS 39 lone 0 57 - 1 - HB2 LEU 64 - HE3 LYS 60 lone 0 97 - 0 - HB2 LEU 64 - HE2 LYS 60 lone 0 96 - 0 - HB2 LEU 64 - HE2 LYS 62 lone 0 96 - 0 - HB2 LEU 64 - HE3 LYS 62 lone 0 95 - 0 - HB2 LEU 64 - HE3 LYS 49 lone 0 95 - 0 - HB2 LEU 64 - HE2 LYS 49 lone 0 95 - 0 - HD3 LYS 42 - HE2 LYS 39 lone 0 52 - 0 - HD3 LYS 42 - HE3 LYS 39 lone 0 52 - 0 - HB2 LEU 64 - HE3 LYS 39 lone 0 53 - 0 - HB2 LEU 64 - HE2 LYS 39 lone 0 53 - 0 - Peak 3012 from cnoeabs.peaks (1.67, 2.98, 42.17 ppm; 2.93 A): 8 out of 88 assignments used, quality = 1.00: HD2 LYS 62 + HE2 LYS 62 OK 98 100 - 98 - 3.0=96, 3140/1.8=4...(22) HD3 LYS 62 + HE2 LYS 62 OK 98 100 - 98 - 3.0=96, 3140/1.8=4...(22) HD2 LYS 62 + HE3 LYS 62 OK 97 99 - 98 - 3.0=96, 3140/1.8=4...(22) HD3 LYS 62 + HE3 LYS 62 OK 97 99 - 98 - 3.0=96, 3140/1.8=4...(22) * HD3 LYS 60 + HE3 LYS 60 OK 97 100 - 97 - 3.0=95, 3140/1.8=4...(12) HD3 LYS 60 + HE2 LYS 60 OK 97 100 - 97 - 3.0=95, 3140/1.8=4...(12) HD2 LYS 60 + HE3 LYS 60 OK 97 100 - 97 - 3.0=95, 3130/1.8=4...(12) HD2 LYS 60 + HE2 LYS 60 OK 97 100 - 97 - 3.0=95, 3130/1.8=4...(12) HD2 LYS 39 - HE2 LYS 39 OK 34 36 - 96 - 3.0=94, 2040/3.6=5...(7) HD2 LYS 39 - HE3 LYS 39 OK 34 36 - 96 - 3.0=94, 2040/3.6=5...(7) HD3 LYS 39 - HE3 LYS 39 OK 34 36 - 96 - 3.0=94, 2040/3.6=5...(7) HD3 LYS 39 - HE2 LYS 39 OK 34 36 - 96 - 3.0=94, 2040/3.6=5...(7) HD2 LYS 62 - HE2 LYS 60 lone 9 100 - 9 - HD3 LYS 62 - HE2 LYS 60 lone 9 100 - 9 - HD2 LYS 62 - HE3 LYS 60 lone 9 100 - 9 - HD3 LYS 62 - HE3 LYS 60 lone 9 100 - 9 - HG13 ILE 50 - HE3 LYS 49 lone 7 76 - 10 - 2.1/4604=4, ~4604=3 HG13 ILE 50 - HE2 LYS 49 lone 7 76 - 10 - 2.1/4604=4, ~4604=3 HD3 LYS 60 - HE2 LYS 62 lone 6 100 - 6 - HD2 LYS 60 - HE2 LYS 62 lone 6 100 - 6 - HD3 LYS 60 - HE3 LYS 62 lone 6 99 - 6 - HD2 LYS 60 - HE3 LYS 62 lone 6 99 - 6 - HB2 LEU 37 - HE3 LYS 49 lone 3 98 - 3 - HB2 LEU 37 - HE2 LYS 49 lone 3 98 - 3 - HB2 LEU 37 - HE2 LYS 39 lone 2 57 - 4 - HB2 LEU 37 - HE3 LYS 39 lone 2 57 - 4 - HD2 LYS 39 - HE3 LYS 49 lone 2 71 - 3 - HD2 LYS 39 - HE2 LYS 49 lone 2 71 - 3 - HD3 LYS 39 - HE2 LYS 49 lone 2 71 - 3 - HD3 LYS 39 - HE3 LYS 49 lone 2 71 - 3 - HD3 LYS 62 - HE2 LYS 49 lone 2 99 - 2 - HD3 LYS 62 - HE3 LYS 49 lone 2 99 - 2 - HD2 LYS 62 - HE2 LYS 49 lone 2 99 - 2 - HD2 LYS 62 - HE3 LYS 49 lone 2 99 - 2 - HB2 LEU 37 - HE2 LYS 62 lone 1 99 - 1 - HB2 LEU 37 - HE3 LYS 62 lone 1 98 - 1 - HD3 LYS 60 - HE2 LYS 49 lone 1 99 - 1 - HD3 LYS 60 - HE3 LYS 49 lone 1 99 - 1 - HB2 LEU 37 - HE3 LYS 60 lone 1 99 - 1 - HB2 LEU 37 - HE2 LYS 60 lone 1 99 - 1 - HD2 LYS 60 - HE2 LYS 49 lone 1 99 - 1 - HD2 LYS 60 - HE3 LYS 49 lone 1 99 - 1 - HG13 ILE 50 - HE3 LYS 60 lone 1 78 - 2 - HG13 ILE 50 - HE2 LYS 60 lone 1 78 - 2 - HG13 ILE 50 - HE2 LYS 62 lone 1 77 - 2 - HD3 LYS 39 - HE3 LYS 60 lone 1 73 - 2 - HD2 LYS 39 - HE3 LYS 60 lone 1 73 - 2 - HD2 LYS 39 - HE2 LYS 60 lone 1 73 - 2 - HD3 LYS 39 - HE2 LYS 60 lone 1 73 - 2 - HG13 ILE 50 - HE3 LYS 62 lone 1 76 - 2 - HD2 LYS 39 - HE2 LYS 62 lone 1 72 - 2 - HD3 LYS 39 - HE2 LYS 62 lone 1 72 - 2 - HD3 LYS 39 - HE3 LYS 62 lone 1 71 - 2 - HD2 LYS 39 - HE3 LYS 62 lone 1 71 - 2 - HD3 LYS 42 - HE3 LYS 49 lone 1 96 - 1 - HD3 LYS 42 - HE2 LYS 49 lone 1 96 - 1 - HG13 ILE 50 - HE2 LYS 39 lone 1 39 - 2 - HG13 ILE 50 - HE3 LYS 39 lone 1 39 - 2 - HD2 LYS 62 - HE2 LYS 39 lone 1 59 - 2 - HD2 LYS 62 - HE3 LYS 39 lone 1 59 - 2 - HD3 LYS 62 - HE2 LYS 39 lone 1 59 - 2 - HD3 LYS 62 - HE3 LYS 39 lone 1 59 - 2 - HG3 LYS 22 - HE2 LYS 49 lone 1 97 - 1 - HG3 LYS 22 - HE3 LYS 49 lone 1 97 - 1 - HD2 LYS 60 - HE3 LYS 39 lone 1 58 - 1 - HD2 LYS 60 - HE2 LYS 39 lone 1 58 - 1 - HD3 LYS 60 - HE2 LYS 39 lone 1 59 - 1 - HD3 LYS 60 - HE3 LYS 39 lone 1 59 - 1 - HG3 LYS 22 - HE2 LYS 62 lone 1 98 - 1 - HG3 LYS 22 - HE3 LYS 62 lone 1 97 - 1 - HD3 LYS 42 - HE2 LYS 62 lone 1 97 - 1 - HD3 LYS 42 - HE3 LYS 62 lone 1 96 - 1 - HG3 LYS 22 - HE2 LYS 60 lone 1 99 - 1 - HG3 LYS 22 - HE3 LYS 60 lone 1 99 - 1 - HD3 LYS 42 - HE2 LYS 60 lone 1 97 - 1 - HD3 LYS 42 - HE3 LYS 60 lone 1 97 - 1 - HG3 LYS 22 - HE2 LYS 39 lone 1 56 - 1 - HG3 LYS 22 - HE3 LYS 39 lone 1 56 - 1 - HB2 LEU 64 - HE3 LYS 60 lone 0 98 - 0 - HB2 LEU 64 - HE2 LYS 60 lone 0 98 - 0 - HB2 LEU 64 - HE2 LYS 62 lone 0 97 - 0 - HB2 LEU 64 - HE3 LYS 62 lone 0 97 - 0 - HB2 LEU 64 - HE3 LYS 49 lone 0 97 - 0 - HB2 LEU 64 - HE2 LYS 49 lone 0 97 - 0 - HD3 LYS 42 - HE3 LYS 39 lone 0 54 - 1 - HD3 LYS 42 - HE2 LYS 39 lone 0 54 - 1 - HB2 LEU 64 - HE2 LYS 39 lone 0 55 - 0 - HB2 LEU 64 - HE3 LYS 39 lone 0 55 - 0 - Peak 3013 from cnoeabs.peaks (2.98, 2.98, 42.17 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: HE3 LYS 60 + HE3 LYS 60 OK 100 100 - 100 HE2 LYS 60 + HE2 LYS 60 OK 100 100 - 100 HE2 LYS 62 + HE2 LYS 62 OK 100 100 - 100 HE3 LYS 49 + HE3 LYS 49 OK 99 99 - 100 HE2 LYS 49 + HE2 LYS 49 OK 99 99 - 100 HE3 LYS 62 + HE3 LYS 62 OK 99 99 - 100 HE2 LYS 39 + HE2 LYS 39 OK 59 59 - 100 HE3 LYS 39 + HE3 LYS 39 OK 59 59 - 100 Reference assignment not found: HE2 LYS 60 - HE3 LYS 60 Peak 3014 from cnoeabs.peaks (2.98, 2.98, 42.17 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: * HE3 LYS 60 + HE3 LYS 60 OK 100 100 - 100 HE2 LYS 60 + HE2 LYS 60 OK 100 100 - 100 HE2 LYS 62 + HE2 LYS 62 OK 100 100 - 100 HE3 LYS 62 + HE3 LYS 62 OK 99 99 - 100 HE2 LYS 49 + HE2 LYS 49 OK 99 99 - 100 HE3 LYS 49 + HE3 LYS 49 OK 99 99 - 100 HE2 LYS 39 + HE2 LYS 39 OK 58 58 - 100 HE3 LYS 39 + HE3 LYS 39 OK 58 58 - 100 Peak 3015 from cnoeabs.peaks (8.17, 4.24, 56.37 ppm; 4.21 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 61 + HA ARG 61 OK 100 100 - 100 - 3.0=100 Peak 3016 from cnoeabs.peaks (4.24, 4.24, 56.37 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA ARG 61 + HA ARG 61 OK 100 100 - 100 HA LYS 62 + HA LYS 62 OK 50 50 - 100 Peak 3017 from cnoeabs.peaks (1.81, 4.24, 56.37 ppm; 3.02 A): 2 out of 2 assignments used, quality = 1.00: * HB2 ARG 61 + HA ARG 61 OK 100 100 - 100 - 3.0=100 HB2 LYS 62 + HA LYS 62 OK 49 49 - 100 - 3.0=100 Peak 3018 from cnoeabs.peaks (1.73, 4.24, 56.37 ppm; 3.21 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ARG 61 + HA ARG 61 OK 100 100 - 100 - 3.0=100 Peak 3019 from cnoeabs.peaks (1.60, 4.24, 56.37 ppm; 3.54 A): 2 out of 18 assignments used, quality = 0.99: * HG2 ARG 61 + HA ARG 61 OK 90 100 - 90 - 4.0=68, 3028/3.0=16...(15) HG3 ARG 61 + HA ARG 61 OK 90 100 - 90 - 4.0=68, 3028/3.0=16...(15) HG3 ARG 61 - HA LYS 62 OK 26 62 - 42 - ~328=9, 330/2.9=8...(11) HG2 ARG 61 - HA LYS 62 OK 26 62 - 42 - ~328=9, 330/2.9=8...(11) HG3 ARG 34 - HA ARG 61 lone 3 97 - 3 - HB3 LEU 43 - HA ARG 61 lone 3 99 - 3 - HG3 ARG 21 - HA ARG 61 lone 2 99 - 2 - HB3 LEU 43 - HA LYS 62 lone 2 60 - 3 - HG3 ARG 21 - HA LYS 62 lone 1 59 - 2 - HG2 LYS 49 - HA ARG 61 lone 1 71 - 1 - HB2 LEU 41 - HA ARG 61 lone 1 81 - 1 - HG LEU 68 - HA ARG 61 lone 1 85 - 1 - HB3 LEU 64 - HA ARG 61 lone 1 81 - 1 - HB2 LEU 41 - HA LYS 62 lone 1 43 - 1 - HG3 ARG 34 - HA LYS 62 lone 1 57 - 1 - HB3 LEU 64 - HA LYS 62 lone 0 43 - 1 - HG2 LYS 49 - HA LYS 62 lone 0 37 - 1 - HG LEU 68 - HA LYS 62 lone 0 46 - 1 - Peak 3020 from cnoeabs.peaks (1.59, 4.24, 56.37 ppm; 3.54 A): 2 out of 18 assignments used, quality = 0.99: * HG3 ARG 61 + HA ARG 61 OK 90 100 - 90 - 4.0=68, 3028/3.0=16...(15) HG2 ARG 61 + HA ARG 61 OK 90 100 - 90 - 4.0=68, 3028/3.0=16...(15) HG3 ARG 61 - HA LYS 62 OK 26 62 - 42 - ~328=9, 330/2.9=8...(11) HG2 ARG 61 - HA LYS 62 OK 26 62 - 42 - ~328=9, 330/2.9=8...(11) HG3 ARG 34 - HA ARG 61 lone 3 98 - 3 - HB3 LEU 43 - HA ARG 61 lone 3 99 - 3 - HG3 ARG 21 - HA ARG 61 lone 2 98 - 2 - HB3 LEU 43 - HA LYS 62 lone 2 59 - 3 - HG3 ARG 21 - HA LYS 62 lone 1 58 - 2 - HG2 LYS 49 - HA ARG 61 lone 1 73 - 1 - HB2 LEU 41 - HA ARG 61 lone 1 78 - 1 - HG LEU 68 - HA ARG 61 lone 1 83 - 1 - HB3 LEU 64 - HA ARG 61 lone 1 78 - 1 - HG3 ARG 34 - HA LYS 62 lone 1 58 - 1 - HB2 LEU 41 - HA LYS 62 lone 1 41 - 1 - HG2 LYS 49 - HA LYS 62 lone 0 38 - 1 - HB3 LEU 64 - HA LYS 62 lone 0 41 - 1 - HG LEU 68 - HA LYS 62 lone 0 45 - 1 - Peak 3021 from cnoeabs.peaks (3.14, 4.24, 56.37 ppm; 4.13 A): 2 out of 8 assignments used, quality = 0.96: HD3 ARG 61 + HA ARG 61 OK 81 100 - 81 - 5.4=46, 3.0/3020=13...(13) * HD2 ARG 61 + HA ARG 61 OK 81 100 - 81 - 5.4=46, 3.0/3020=13...(13) HD2 ARG 61 - HA LYS 62 OK 30 62 - 49 - ~328=10, 3064=8...(12) HD3 ARG 61 - HA LYS 62 OK 30 62 - 49 - ~328=10, 3064=8...(12) HB2 PHE 23 - HA ARG 61 lone 6 95 - 6 - 3708=1, 2.4/4627=1 HB3 TYR 57 - HA ARG 61 lone 2 71 - 3 - HB3 TYR 57 - HA LYS 62 lone 1 37 - 3 - ~4850=2 HB2 PHE 23 - HA LYS 62 lone 1 54 - 1 - Peak 3022 from cnoeabs.peaks (3.14, 4.24, 56.37 ppm; 4.13 A): 2 out of 8 assignments used, quality = 0.96: * HD3 ARG 61 + HA ARG 61 OK 81 100 - 81 - 5.4=46, 3.0/3020=13...(13) HD2 ARG 61 + HA ARG 61 OK 81 100 - 81 - 5.4=46, 3.0/3020=13...(13) HD2 ARG 61 - HA LYS 62 OK 30 62 - 49 - ~328=10, 3064=8...(12) HD3 ARG 61 - HA LYS 62 OK 30 62 - 49 - ~328=10, 3064=8...(12) HB2 PHE 23 - HA ARG 61 lone 6 95 - 6 - 3708=1, 2.4/4627=1 HB3 TYR 57 - HA ARG 61 lone 2 71 - 3 - HB3 TYR 57 - HA LYS 62 lone 1 37 - 3 - ~4850=2 HB2 PHE 23 - HA LYS 62 lone 1 54 - 1 - Peak 3023 from cnoeabs.peaks (8.17, 1.81, 30.54 ppm; 4.56 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 61 + HB2 ARG 61 OK 100 100 - 100 - 4.0=100 Peak 3024 from cnoeabs.peaks (4.24, 1.81, 30.54 ppm; 3.60 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 61 + HB2 ARG 61 OK 100 100 - 100 - 3.0=100 Peak 3025 from cnoeabs.peaks (1.81, 1.81, 30.54 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HB2 ARG 61 + HB2 ARG 61 OK 100 100 - 100 HB2 PRO 32 - HB2 PRO 32 OK 38 38 - 100 Peak 3026 from cnoeabs.peaks (1.73, 1.81, 30.54 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ARG 61 + HB2 ARG 61 OK 100 100 - 100 - 1.8=100 Peak 3027 from cnoeabs.peaks (1.60, 1.81, 30.54 ppm; 2.85 A): 2 out of 18 assignments used, quality = 1.00: * HG2 ARG 61 + HB2 ARG 61 OK 99 100 - 99 - 2.9=98, 3020/3.0=6...(10) HG3 ARG 61 + HB2 ARG 61 OK 99 100 - 99 - 2.9=98, 3020/3.0=6...(10) HB3 LEU 43 - HB2 ARG 61 lone 2 99 - 2 - HG3 ARG 34 - HB2 PRO 32 lone 2 43 - 4 - 4294/2.3=3 HB3 LEU 43 - HB2 PRO 32 lone 2 45 - 3 - 4294/2.3=1 HG3 ARG 21 - HB2 ARG 61 lone 1 99 - 1 - HG3 ARG 34 - HB2 ARG 61 lone 1 97 - 1 - HB2 LEU 41 - HB2 PRO 32 lone 1 32 - 3 - HG2 ARG 61 - HB2 PRO 32 lone 1 46 - 2 - HG3 ARG 61 - HB2 PRO 32 lone 1 46 - 2 - HG3 ARG 21 - HB2 PRO 32 lone 1 44 - 2 - HG2 LYS 49 - HB2 PRO 32 lone 1 27 - 3 - HG2 LYS 49 - HB2 ARG 61 lone 1 71 - 1 - HB2 LEU 41 - HB2 ARG 61 lone 1 81 - 1 - HB3 LEU 64 - HB2 ARG 61 lone 0 81 - 1 - HG LEU 68 - HB2 ARG 61 lone 0 85 - 1 - HG LEU 68 - HB2 PRO 32 lone 0 34 - 1 - HB3 LEU 64 - HB2 PRO 32 lone 0 32 - 1 - Peak 3028 from cnoeabs.peaks (1.59, 1.81, 30.54 ppm; 2.85 A): 2 out of 18 assignments used, quality = 1.00: * HG3 ARG 61 + HB2 ARG 61 OK 99 100 - 99 - 2.9=98, 3020/3.0=6...(10) HG2 ARG 61 + HB2 ARG 61 OK 99 100 - 99 - 2.9=98, 3020/3.0=6...(10) HB3 LEU 43 - HB2 ARG 61 lone 2 99 - 2 - HG3 ARG 34 - HB2 PRO 32 lone 2 43 - 4 - 4294/2.3=3 HB3 LEU 43 - HB2 PRO 32 lone 2 44 - 3 - 4294/2.3=1 HG3 ARG 21 - HB2 ARG 61 lone 1 98 - 1 - HG3 ARG 34 - HB2 ARG 61 lone 1 98 - 1 - HB2 LEU 41 - HB2 PRO 32 lone 1 30 - 3 - HG3 ARG 61 - HB2 PRO 32 lone 1 46 - 2 - HG2 ARG 61 - HB2 PRO 32 lone 1 46 - 2 - HG2 LYS 49 - HB2 PRO 32 lone 1 28 - 3 - HG3 ARG 21 - HB2 PRO 32 lone 1 43 - 2 - HG2 LYS 49 - HB2 ARG 61 lone 1 73 - 1 - HB2 LEU 41 - HB2 ARG 61 lone 1 78 - 1 - HB3 LEU 64 - HB2 ARG 61 lone 0 78 - 1 - HG LEU 68 - HB2 ARG 61 lone 0 83 - 1 - HG LEU 68 - HB2 PRO 32 lone 0 33 - 1 - HB3 LEU 64 - HB2 PRO 32 lone 0 30 - 1 - Peak 3031 from cnoeabs.peaks (8.17, 1.73, 30.54 ppm; 4.60 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 61 + HB3 ARG 61 OK 100 100 - 100 - 4.0=100 Peak 3032 from cnoeabs.peaks (4.24, 1.73, 30.54 ppm; 3.70 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 61 + HB3 ARG 61 OK 100 100 - 100 - 3.0=100 Peak 3033 from cnoeabs.peaks (1.81, 1.73, 30.54 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 61 + HB3 ARG 61 OK 100 100 - 100 - 1.8=100 Peak 3034 from cnoeabs.peaks (1.73, 1.73, 30.54 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ARG 61 + HB3 ARG 61 OK 100 100 - 100 Peak 3035 from cnoeabs.peaks (1.60, 1.73, 30.54 ppm; 2.88 A): 2 out of 2 assignments used, quality = 1.00: * HG2 ARG 61 + HB3 ARG 61 OK 100 100 - 100 - 2.9=100 HG3 ARG 61 + HB3 ARG 61 OK 100 100 - 100 - 2.9=100 Peak 3036 from cnoeabs.peaks (1.59, 1.73, 30.54 ppm; 2.88 A): 2 out of 2 assignments used, quality = 1.00: * HG3 ARG 61 + HB3 ARG 61 OK 100 100 - 100 - 2.9=100 HG2 ARG 61 + HB3 ARG 61 OK 100 100 - 100 - 2.9=100 Peak 3037 from cnoeabs.peaks (3.14, 1.73, 30.54 ppm; 4.02 A): 2 out of 2 assignments used, quality = 1.00: HD3 ARG 61 + HB3 ARG 61 OK 100 100 - 100 - 3.5=100 * HD2 ARG 61 + HB3 ARG 61 OK 100 100 - 100 - 3.5=100 Peak 3038 from cnoeabs.peaks (3.14, 1.73, 30.54 ppm; 4.02 A): 2 out of 2 assignments used, quality = 1.00: * HD3 ARG 61 + HB3 ARG 61 OK 100 100 - 100 - 3.5=100 HD2 ARG 61 + HB3 ARG 61 OK 100 100 - 100 - 3.5=100 Peak 3039 from cnoeabs.peaks (8.17, 1.60, 27.31 ppm; 4.74 A): 2 out of 12 assignments used, quality = 1.00: * H ARG 61 + HG2 ARG 61 OK 98 100 - 98 - 4.9=89, 811/2.9=38...(12) H ARG 61 + HG3 ARG 61 OK 98 100 - 98 - 4.9=89, 811/2.9=38...(12) H ALA 35 - HG3 ARG 21 OK 15 73 - 20 - 144=4, 142/1.8=4...(5) H THR 46 - HG2 ARG 61 poor 10 57 - 17 - ~4687=7, 2.9/4534=3...(5) H THR 46 - HG3 ARG 61 poor 10 57 - 17 - ~4687=7, 2.9/4534=3...(5) H ALA 35 - HG3 ARG 61 lone 5 80 - 6 - H ALA 35 - HG2 ARG 61 lone 5 81 - 6 - H ARG 61 - HG3 ARG 21 lone 5 96 - 5 - H THR 46 - HG3 ARG 21 lone 4 51 - 8 - 700/3.9=2, 3.6/4520=1 H LEU 68 - HG3 ARG 21 lone 1 51 - 2 - H LEU 68 - HG2 ARG 61 lone 1 57 - 2 - H LEU 68 - HG3 ARG 61 lone 1 57 - 2 - Peak 3040 from cnoeabs.peaks (4.24, 1.60, 27.31 ppm; 4.24 A): 2 out of 2 assignments used, quality = 1.00: * HA ARG 61 + HG2 ARG 61 OK 100 100 - 100 - 4.0=100 HA ARG 61 + HG3 ARG 61 OK 100 100 - 100 - 4.0=100 Peak 3041 from cnoeabs.peaks (1.81, 1.60, 27.31 ppm; 2.90 A): 2 out of 2 assignments used, quality = 1.00: * HB2 ARG 61 + HG2 ARG 61 OK 100 100 - 100 - 2.9=100 HB2 ARG 61 + HG3 ARG 61 OK 100 100 - 100 - 2.9=100 Peak 3042 from cnoeabs.peaks (1.73, 1.60, 27.31 ppm; 3.14 A): 2 out of 2 assignments used, quality = 1.00: * HB3 ARG 61 + HG2 ARG 61 OK 100 100 - 100 - 2.9=100 HB3 ARG 61 + HG3 ARG 61 OK 100 100 - 100 - 2.9=100 Peak 3043 from cnoeabs.peaks (1.60, 1.60, 27.31 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG2 ARG 61 + HG2 ARG 61 OK 100 100 - 100 HG3 ARG 61 + HG3 ARG 61 OK 100 100 - 100 HG3 ARG 21 + HG3 ARG 21 OK 93 93 - 100 Peak 3044 from cnoeabs.peaks (1.59, 1.60, 27.31 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HG2 ARG 61 + HG2 ARG 61 OK 100 100 - 100 HG3 ARG 61 + HG3 ARG 61 OK 100 100 - 100 HG3 ARG 21 + HG3 ARG 21 OK 92 92 - 100 Reference assignment not found: HG3 ARG 61 - HG2 ARG 61 Peak 3045 from cnoeabs.peaks (3.14, 1.60, 27.31 ppm; 3.81 A): 4 out of 4 assignments used, quality = 1.00: HD3 ARG 61 + HG2 ARG 61 OK 100 100 - 100 - 3.0=100 * HD2 ARG 61 + HG2 ARG 61 OK 100 100 - 100 - 3.0=100 HD3 ARG 61 + HG3 ARG 61 OK 100 100 - 100 - 3.0=100 HD2 ARG 61 + HG3 ARG 61 OK 100 100 - 100 - 3.0=100 Peak 3046 from cnoeabs.peaks (3.14, 1.60, 27.31 ppm; 3.81 A): 4 out of 4 assignments used, quality = 1.00: * HD3 ARG 61 + HG2 ARG 61 OK 100 100 - 100 - 3.0=100 HD2 ARG 61 + HG2 ARG 61 OK 100 100 - 100 - 3.0=100 HD3 ARG 61 + HG3 ARG 61 OK 100 100 - 100 - 3.0=100 HD2 ARG 61 + HG3 ARG 61 OK 100 100 - 100 - 3.0=100 Peak 3047 from cnoeabs.peaks (8.17, 1.59, 27.31 ppm; 4.74 A): 2 out of 12 assignments used, quality = 1.00: * H ARG 61 + HG3 ARG 61 OK 98 100 - 98 - 4.9=89, 811/2.9=38...(12) H ARG 61 + HG2 ARG 61 OK 98 100 - 98 - 4.9=89, 811/2.9=38...(12) H ALA 35 - HG3 ARG 21 OK 14 71 - 20 - 144=4, 142/1.8=4...(5) H THR 46 - HG3 ARG 61 poor 10 57 - 17 - ~4687=7, 2.9/4534=3...(5) H THR 46 - HG2 ARG 61 poor 10 57 - 17 - ~4687=7, 2.9/4534=3...(5) H ALA 35 - HG3 ARG 61 lone 5 81 - 6 - H ALA 35 - HG2 ARG 61 lone 5 80 - 6 - H ARG 61 - HG3 ARG 21 lone 4 94 - 5 - H THR 46 - HG3 ARG 21 lone 4 49 - 8 - 700/3.9=2, 3.6/4520=1 H LEU 68 - HG3 ARG 21 lone 1 49 - 2 - H LEU 68 - HG3 ARG 61 lone 1 57 - 2 - H LEU 68 - HG2 ARG 61 lone 1 57 - 2 - Peak 3048 from cnoeabs.peaks (4.24, 1.59, 27.31 ppm; 4.24 A): 2 out of 2 assignments used, quality = 1.00: * HA ARG 61 + HG3 ARG 61 OK 100 100 - 100 - 4.0=100 HA ARG 61 + HG2 ARG 61 OK 100 100 - 100 - 4.0=100 Peak 3049 from cnoeabs.peaks (1.81, 1.59, 27.31 ppm; 2.90 A): 2 out of 2 assignments used, quality = 1.00: * HB2 ARG 61 + HG3 ARG 61 OK 100 100 - 100 - 2.9=100 HB2 ARG 61 + HG2 ARG 61 OK 100 100 - 100 - 2.9=100 Peak 3050 from cnoeabs.peaks (1.73, 1.59, 27.31 ppm; 3.14 A): 2 out of 2 assignments used, quality = 1.00: * HB3 ARG 61 + HG3 ARG 61 OK 100 100 - 100 - 2.9=100 HB3 ARG 61 + HG2 ARG 61 OK 100 100 - 100 - 2.9=100 Peak 3051 from cnoeabs.peaks (1.60, 1.59, 27.31 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HG3 ARG 61 + HG3 ARG 61 OK 100 100 - 100 HG2 ARG 61 + HG2 ARG 61 OK 100 100 - 100 HG3 ARG 21 + HG3 ARG 21 OK 91 91 - 100 Reference assignment not found: HG2 ARG 61 - HG3 ARG 61 Peak 3052 from cnoeabs.peaks (1.59, 1.59, 27.31 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG3 ARG 61 + HG3 ARG 61 OK 100 100 - 100 HG2 ARG 61 + HG2 ARG 61 OK 100 100 - 100 HG3 ARG 21 + HG3 ARG 21 OK 90 90 - 100 Peak 3053 from cnoeabs.peaks (3.14, 1.59, 27.31 ppm; 3.81 A): 4 out of 4 assignments used, quality = 1.00: HD3 ARG 61 + HG3 ARG 61 OK 100 100 - 100 - 3.0=100 * HD2 ARG 61 + HG3 ARG 61 OK 100 100 - 100 - 3.0=100 HD2 ARG 61 + HG2 ARG 61 OK 100 100 - 100 - 3.0=100 HD3 ARG 61 + HG2 ARG 61 OK 100 100 - 100 - 3.0=100 Peak 3054 from cnoeabs.peaks (3.14, 1.59, 27.31 ppm; 3.81 A): 4 out of 4 assignments used, quality = 1.00: * HD3 ARG 61 + HG3 ARG 61 OK 100 100 - 100 - 3.0=100 HD2 ARG 61 + HG3 ARG 61 OK 100 100 - 100 - 3.0=100 HD2 ARG 61 + HG2 ARG 61 OK 100 100 - 100 - 3.0=100 HD3 ARG 61 + HG2 ARG 61 OK 100 100 - 100 - 3.0=100 Peak 3056 from cnoeabs.peaks (4.24, 3.14, 43.26 ppm; 4.11 A): 2 out of 12 assignments used, quality = 0.96: HA ARG 61 + HD3 ARG 61 OK 81 100 - 81 - 5.4=45, 3022/1.8=13...(13) * HA ARG 61 + HD2 ARG 61 OK 81 100 - 81 - 5.4=45, 3022/1.8=13...(13) HA LYS 62 - HD2 ARG 61 OK 42 90 - 47 - ~328=10, 3022=6, ~330=6...(12) HA LYS 62 - HD3 ARG 61 OK 42 90 - 47 - ~328=10, 3021=6, ~330=6...(12) HA GLU 20 - HD2 ARG 61 lone 2 78 - 3 - HA GLU 20 - HD3 ARG 61 lone 2 78 - 3 - HA THR 59 - HD3 ARG 61 lone 2 87 - 2 - HA THR 59 - HD2 ARG 61 lone 2 87 - 2 - HB3 SER 30 - HD3 ARG 61 lone 1 85 - 2 - HB3 SER 30 - HD2 ARG 61 lone 1 85 - 2 - HA LYS 60 - HD3 ARG 61 lone 1 81 - 1 - HA LYS 60 - HD2 ARG 61 lone 1 81 - 1 - Peak 3057 from cnoeabs.peaks (1.81, 3.14, 43.26 ppm; 3.71 A): 2 out of 2 assignments used, quality = 1.00: HB2 ARG 61 + HD3 ARG 61 OK 100 100 - 100 - 3.5=100 * HB2 ARG 61 + HD2 ARG 61 OK 100 100 - 100 - 3.5=100 Peak 3058 from cnoeabs.peaks (1.73, 3.14, 43.26 ppm; 3.69 A): 2 out of 2 assignments used, quality = 1.00: HB3 ARG 61 + HD3 ARG 61 OK 100 100 - 100 - 3.5=100 * HB3 ARG 61 + HD2 ARG 61 OK 100 100 - 100 - 3.5=100 Peak 3059 from cnoeabs.peaks (1.60, 3.14, 43.26 ppm; 3.08 A): 4 out of 4 assignments used, quality = 1.00: HG2 ARG 61 + HD3 ARG 61 OK 100 100 - 100 - 3.0=100 * HG2 ARG 61 + HD2 ARG 61 OK 100 100 - 100 - 3.0=100 HG3 ARG 61 + HD3 ARG 61 OK 100 100 - 100 - 3.0=100 HG3 ARG 61 + HD2 ARG 61 OK 100 100 - 100 - 3.0=100 Peak 3060 from cnoeabs.peaks (1.59, 3.14, 43.26 ppm; 3.08 A): 4 out of 4 assignments used, quality = 1.00: * HG3 ARG 61 + HD2 ARG 61 OK 100 100 - 100 - 3.0=100 HG3 ARG 61 + HD3 ARG 61 OK 100 100 - 100 - 3.0=100 HG2 ARG 61 + HD2 ARG 61 OK 100 100 - 100 - 3.0=100 HG2 ARG 61 + HD3 ARG 61 OK 100 100 - 100 - 3.0=100 Peak 3061 from cnoeabs.peaks (3.14, 3.14, 43.26 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 ARG 61 + HD3 ARG 61 OK 100 100 - 100 * HD2 ARG 61 + HD2 ARG 61 OK 100 100 - 100 Peak 3062 from cnoeabs.peaks (3.14, 3.14, 43.26 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 ARG 61 + HD3 ARG 61 OK 100 100 - 100 HD2 ARG 61 + HD2 ARG 61 OK 100 100 - 100 Reference assignment not found: HD3 ARG 61 - HD2 ARG 61 Peak 3064 from cnoeabs.peaks (4.24, 3.14, 43.26 ppm; 4.11 A): 2 out of 12 assignments used, quality = 0.96: * HA ARG 61 + HD3 ARG 61 OK 81 100 - 81 - 5.4=45, 3022/1.8=13...(13) HA ARG 61 + HD2 ARG 61 OK 81 100 - 81 - 5.4=45, 3022/1.8=13...(13) HA LYS 62 - HD2 ARG 61 OK 42 90 - 47 - ~328=10, 3022=6, ~330=6...(12) HA LYS 62 - HD3 ARG 61 OK 42 90 - 47 - ~328=10, 3021=6, ~330=6...(12) HA GLU 20 - HD2 ARG 61 lone 2 78 - 3 - HA GLU 20 - HD3 ARG 61 lone 2 78 - 3 - HA THR 59 - HD3 ARG 61 lone 2 87 - 2 - HA THR 59 - HD2 ARG 61 lone 2 87 - 2 - HB3 SER 30 - HD3 ARG 61 lone 1 85 - 2 - HB3 SER 30 - HD2 ARG 61 lone 1 85 - 2 - HA LYS 60 - HD3 ARG 61 lone 1 81 - 1 - HA LYS 60 - HD2 ARG 61 lone 1 81 - 1 - Peak 3065 from cnoeabs.peaks (1.81, 3.14, 43.26 ppm; 3.71 A): 2 out of 2 assignments used, quality = 1.00: * HB2 ARG 61 + HD3 ARG 61 OK 100 100 - 100 - 3.5=100 HB2 ARG 61 + HD2 ARG 61 OK 100 100 - 100 - 3.5=100 Peak 3066 from cnoeabs.peaks (1.73, 3.14, 43.26 ppm; 3.69 A): 2 out of 2 assignments used, quality = 1.00: * HB3 ARG 61 + HD3 ARG 61 OK 100 100 - 100 - 3.5=100 HB3 ARG 61 + HD2 ARG 61 OK 100 100 - 100 - 3.5=100 Peak 3067 from cnoeabs.peaks (1.60, 3.14, 43.26 ppm; 3.08 A): 4 out of 4 assignments used, quality = 1.00: * HG2 ARG 61 + HD3 ARG 61 OK 100 100 - 100 - 3.0=100 HG2 ARG 61 + HD2 ARG 61 OK 100 100 - 100 - 3.0=100 HG3 ARG 61 + HD3 ARG 61 OK 100 100 - 100 - 3.0=100 HG3 ARG 61 + HD2 ARG 61 OK 100 100 - 100 - 3.0=100 Peak 3068 from cnoeabs.peaks (1.59, 3.14, 43.26 ppm; 3.08 A): 4 out of 4 assignments used, quality = 1.00: HG3 ARG 61 + HD2 ARG 61 OK 100 100 - 100 - 3.0=100 * HG3 ARG 61 + HD3 ARG 61 OK 100 100 - 100 - 3.0=100 HG2 ARG 61 + HD2 ARG 61 OK 100 100 - 100 - 3.0=100 HG2 ARG 61 + HD3 ARG 61 OK 100 100 - 100 - 3.0=100 Peak 3069 from cnoeabs.peaks (3.14, 3.14, 43.26 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 ARG 61 + HD3 ARG 61 OK 100 100 - 100 HD2 ARG 61 + HD2 ARG 61 OK 100 100 - 100 Reference assignment not found: HD2 ARG 61 - HD3 ARG 61 Peak 3070 from cnoeabs.peaks (3.14, 3.14, 43.26 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 ARG 61 + HD3 ARG 61 OK 100 100 - 100 HD2 ARG 61 + HD2 ARG 61 OK 100 100 - 100 Peak 3071 from cnoeabs.peaks (8.30, 4.26, 56.57 ppm; 3.51 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 62 + HA LYS 62 OK 100 100 - 100 - 2.9=100 Peak 3072 from cnoeabs.peaks (4.26, 4.26, 56.57 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA LYS 62 + HA LYS 62 OK 100 100 - 100 HA LYS 60 + HA LYS 60 OK 97 97 - 100 HA ARG 61 + HA ARG 61 OK 50 50 - 100 Peak 3073 from cnoeabs.peaks (1.83, 4.26, 56.57 ppm; 2.98 A): 1 out of 1 assignment used, quality = 0.49: HB2 ARG 61 + HA ARG 61 OK 49 49 - 100 - 3.0=100 Reference assignment not found: HB2 LYS 62 - HA LYS 62 Peak 3074 from cnoeabs.peaks (1.77, 4.26, 56.57 ppm; 3.12 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 62 + HA LYS 62 OK 100 100 - 100 - 3.0=100 HB3 LYS 60 + HA LYS 60 OK 98 98 - 100 - 3.0=100 Peak 3075 from cnoeabs.peaks (1.43, 4.26, 56.57 ppm; 3.70 A): 4 out of 30 assignments used, quality = 1.00: * HG2 LYS 62 + HA LYS 62 OK 96 100 - 96 - 3.8=90, 4.8/334=16...(15) HG3 LYS 62 + HA LYS 62 OK 96 100 - 96 - 3.8=90, 4.8/334=16...(15) HG3 LYS 60 + HA LYS 60 OK 89 96 - 92 - 3.9=88, 803/3.0=8...(11) HG2 LYS 60 + HA LYS 60 OK 89 96 - 92 - 3.9=88, 803/3.0=8...(11) HG3 LYS 60 - HA LYS 62 OK 12 99 - 12 - ~819=2, 820/2.9=2...(6) HG2 LYS 60 - HA LYS 62 OK 12 99 - 12 - ~819=2, 820/2.9=2...(6) HG3 LYS 60 - HA ARG 61 OK 11 60 - 18 - ~318=9, ~317=5, ~810=3 HG2 LYS 60 - HA ARG 61 OK 11 60 - 18 - ~318=9, ~317=5, ~810=3 HG3 LYS 62 - HA ARG 61 poor 8 62 - 12 - 820/3.6=7, ~318=2 HG2 LYS 62 - HA ARG 61 poor 8 62 - 12 - 820/3.6=7, ~318=2 HG3 LYS 62 - HA LYS 60 lone 7 98 - 7 - HG2 LYS 62 - HA LYS 60 lone 7 98 - 7 - HG3 LYS 58 - HA LYS 62 lone 3 81 - 4 - HB3 LEU 41 - HA LYS 62 lone 2 99 - 2 - HB3 LEU 41 - HA LYS 60 lone 1 96 - 1 - HG2 LYS 39 - HA LYS 62 lone 1 100 - 1 - HG3 LYS 58 - HA ARG 61 lone 1 43 - 3 - 4.0/4678=1 HG2 LYS 39 - HA LYS 60 lone 1 98 - 1 - HG3 LYS 58 - HA LYS 60 lone 1 76 - 2 - HG3 ARG 56 - HA LYS 62 lone 1 83 - 1 - HB2 LYS 27 - HA LYS 62 lone 1 92 - 1 - HB3 LEU 41 - HA ARG 61 lone 1 60 - 1 - HB2 LYS 27 - HA LYS 60 lone 1 87 - 1 - HG3 ARG 56 - HA LYS 60 lone 1 78 - 1 - HB3 LEU 29 - HA LYS 62 lone 1 63 - 1 - HG2 LYS 39 - HA ARG 61 lone 1 61 - 1 - HB3 LEU 29 - HA LYS 60 lone 1 59 - 1 - HG3 ARG 56 - HA ARG 61 lone 1 45 - 1 - HB2 LYS 27 - HA ARG 61 lone 0 52 - 1 - HB3 LEU 29 - HA ARG 61 lone 0 32 - 1 - Peak 3076 from cnoeabs.peaks (1.43, 4.26, 56.57 ppm; 3.70 A): 4 out of 30 assignments used, quality = 1.00: HG2 LYS 62 + HA LYS 62 OK 96 100 - 96 - 3.8=90, 4.8/334=16...(15) * HG3 LYS 62 + HA LYS 62 OK 96 100 - 96 - 3.8=90, 4.8/334=16...(15) HG3 LYS 60 + HA LYS 60 OK 89 96 - 92 - 3.9=88, 803/3.0=8...(11) HG2 LYS 60 + HA LYS 60 OK 89 96 - 92 - 3.9=88, 803/3.0=8...(11) HG3 LYS 60 - HA LYS 62 OK 12 99 - 12 - ~819=2, 820/2.9=2...(6) HG2 LYS 60 - HA LYS 62 OK 12 99 - 12 - ~819=2, 820/2.9=2...(6) HG3 LYS 60 - HA ARG 61 OK 11 60 - 18 - ~318=9, ~317=5, ~810=3 HG2 LYS 60 - HA ARG 61 OK 11 60 - 18 - ~318=9, ~317=5, ~810=3 HG3 LYS 62 - HA ARG 61 poor 8 62 - 12 - 820/3.6=7, ~318=2 HG2 LYS 62 - HA ARG 61 poor 8 62 - 12 - 820/3.6=7, ~318=2 HG3 LYS 62 - HA LYS 60 lone 7 98 - 7 - HG2 LYS 62 - HA LYS 60 lone 7 98 - 7 - HG3 LYS 58 - HA LYS 62 lone 3 81 - 4 - HB3 LEU 41 - HA LYS 62 lone 2 99 - 2 - HB3 LEU 41 - HA LYS 60 lone 1 96 - 1 - HG2 LYS 39 - HA LYS 62 lone 1 100 - 1 - HG3 LYS 58 - HA ARG 61 lone 1 43 - 3 - 4.0/4678=1 HG2 LYS 39 - HA LYS 60 lone 1 98 - 1 - HG3 LYS 58 - HA LYS 60 lone 1 76 - 2 - HG3 ARG 56 - HA LYS 62 lone 1 83 - 1 - HB2 LYS 27 - HA LYS 62 lone 1 92 - 1 - HB3 LEU 41 - HA ARG 61 lone 1 60 - 1 - HB2 LYS 27 - HA LYS 60 lone 1 87 - 1 - HG3 ARG 56 - HA LYS 60 lone 1 78 - 1 - HB3 LEU 29 - HA LYS 62 lone 1 63 - 1 - HG2 LYS 39 - HA ARG 61 lone 1 61 - 1 - HB3 LEU 29 - HA LYS 60 lone 1 59 - 1 - HG3 ARG 56 - HA ARG 61 lone 1 45 - 1 - HB2 LYS 27 - HA ARG 61 lone 0 52 - 1 - HB3 LEU 29 - HA ARG 61 lone 0 32 - 1 - Peak 3077 from cnoeabs.peaks (1.67, 4.26, 56.57 ppm; 3.91 A): 4 out of 33 assignments used, quality = 1.00: HD3 LYS 62 + HA LYS 62 OK 82 100 - 82 - 5.0=48, 3134/3.0=9...(25) * HD2 LYS 62 + HA LYS 62 OK 82 100 - 82 - 5.0=48, 3134/3.0=9...(25) HD3 LYS 60 + HA LYS 60 OK 73 98 - 75 - 5.2=42, 2978/3.0=8...(22) HD2 LYS 60 + HA LYS 60 OK 73 98 - 75 - 5.2=42, 2978/3.0=8...(22) HD3 LYS 60 - HA LYS 62 OK 16 100 - 16 - 3132=2, 1.8/3122=1, 3134/3.0=1 HD2 LYS 60 - HA LYS 62 OK 16 100 - 16 - 3122=2, 1.8/3132=1, 2978/3.0=1 HD2 LYS 62 - HA LYS 60 OK 14 98 - 14 - 2976=2, 3134/3.0=1, 1.8/3132=1 HD3 LYS 62 - HA LYS 60 OK 14 98 - 14 - 3132=2, 3134/3.0=1, 1.8/2976=1 HD2 LYS 62 - HA ARG 61 lone 4 62 - 7 - ~318=2 HD3 LYS 62 - HA ARG 61 lone 4 62 - 7 - ~318=2 HG3 LYS 22 - HA LYS 62 lone 2 99 - 2 - HD3 LYS 42 - HA LYS 62 lone 2 97 - 2 - HG13 ILE 50 - HA LYS 62 lone 2 78 - 3 - 1.8/4881=2 HG13 ILE 50 - HA LYS 60 lone 2 74 - 3 - 1.8/4881=2 HB2 LEU 37 - HA LYS 62 lone 2 99 - 2 - HD3 LYS 60 - HA ARG 61 lone 2 62 - 3 - HD2 LYS 60 - HA ARG 61 lone 2 62 - 3 - HB2 LEU 37 - HA LYS 60 lone 2 96 - 2 - HD2 LYS 39 - HA LYS 62 lone 1 73 - 2 - HD3 LYS 39 - HA LYS 62 lone 1 73 - 2 - HD3 LYS 39 - HA LYS 60 lone 1 69 - 2 - HD2 LYS 39 - HA LYS 60 lone 1 69 - 2 - HB2 LEU 64 - HA LYS 62 lone 1 98 - 1 - HD3 LYS 42 - HA LYS 60 lone 1 94 - 1 - HG3 LYS 22 - HA LYS 60 lone 1 95 - 1 - HB2 LEU 64 - HA LYS 60 lone 1 95 - 1 - HG3 LYS 22 - HA ARG 61 lone 1 59 - 2 - HB2 LEU 37 - HA ARG 61 lone 1 60 - 1 - HD3 LYS 42 - HA ARG 61 lone 1 57 - 1 - HB2 LEU 64 - HA ARG 61 lone 1 58 - 1 - HD3 LYS 39 - HA ARG 61 lone 0 38 - 1 - HD2 LYS 39 - HA ARG 61 lone 0 38 - 1 - HG13 ILE 50 - HA ARG 61 lone 0 41 - 1 - Peak 3078 from cnoeabs.peaks (1.67, 4.26, 56.57 ppm; 3.91 A): 4 out of 33 assignments used, quality = 1.00: * HD3 LYS 62 + HA LYS 62 OK 82 100 - 82 - 5.0=48, 3134/3.0=9...(25) HD2 LYS 62 + HA LYS 62 OK 82 100 - 82 - 5.0=48, 3134/3.0=9...(25) HD3 LYS 60 + HA LYS 60 OK 73 98 - 75 - 5.2=42, 3134/3.0=8...(22) HD2 LYS 60 + HA LYS 60 OK 73 98 - 75 - 5.2=42, 2978/3.0=8...(22) HD3 LYS 60 - HA LYS 62 OK 16 100 - 16 - 3132=2, 1.8/3122=1, 3134/3.0=1 HD2 LYS 60 - HA LYS 62 OK 16 100 - 16 - 3122=2, 1.8/3132=1, 3124/3.0=1 HD3 LYS 62 - HA LYS 60 OK 14 98 - 14 - 3132=2, 3134/3.0=1, 1.8/2976=1 HD2 LYS 62 - HA LYS 60 OK 14 98 - 14 - 2976=2, 3134/3.0=1, 1.8/3132=1 HD3 LYS 62 - HA ARG 61 lone 4 62 - 7 - ~318=2 HD2 LYS 62 - HA ARG 61 lone 4 62 - 7 - ~318=2 HG3 LYS 22 - HA LYS 62 lone 2 98 - 2 - HD3 LYS 42 - HA LYS 62 lone 2 98 - 2 - HG13 ILE 50 - HA LYS 62 lone 2 76 - 3 - 1.8/4881=2 HG13 ILE 50 - HA LYS 60 lone 2 71 - 3 - 1.8/4881=2 HB2 LEU 37 - HA LYS 62 lone 2 100 - 2 - HD3 LYS 60 - HA ARG 61 lone 2 62 - 3 - HD2 LYS 60 - HA ARG 61 lone 2 61 - 3 - HB2 LEU 37 - HA LYS 60 lone 2 97 - 2 - HD2 LYS 39 - HA LYS 62 lone 1 71 - 2 - HD3 LYS 39 - HA LYS 62 lone 1 71 - 2 - HB2 LEU 64 - HA LYS 62 lone 1 99 - 1 - HD2 LYS 39 - HA LYS 60 lone 1 66 - 2 - HD3 LYS 39 - HA LYS 60 lone 1 66 - 2 - HD3 LYS 42 - HA LYS 60 lone 1 95 - 1 - HG3 LYS 22 - HA LYS 60 lone 1 95 - 1 - HB2 LEU 64 - HA LYS 60 lone 1 95 - 1 - HB2 LEU 37 - HA ARG 61 lone 1 61 - 1 - HG3 LYS 22 - HA ARG 61 lone 1 58 - 2 - HD3 LYS 42 - HA ARG 61 lone 1 58 - 1 - HB2 LEU 64 - HA ARG 61 lone 1 59 - 1 - HD3 LYS 39 - HA ARG 61 lone 0 37 - 1 - HD2 LYS 39 - HA ARG 61 lone 0 37 - 1 - HG13 ILE 50 - HA ARG 61 lone 0 40 - 1 - Peak 3081 from cnoeabs.peaks (8.30, 1.83, 32.70 ppm; 4.84 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 62 + HB2 LYS 62 OK 100 100 - 100 - 4.0=100 Peak 3082 from cnoeabs.peaks (4.26, 1.83, 32.70 ppm; 3.34 A): 2 out of 2 assignments used, quality = 1.00: * HA LYS 62 + HB2 LYS 62 OK 100 100 - 100 - 3.0=100 HA LYS 60 + HB2 LYS 60 OK 95 95 - 100 - 3.0=100 Peak 3083 from cnoeabs.peaks (1.83, 1.83, 32.70 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 LYS 62 + HB2 LYS 62 OK 100 100 - 100 HB2 LYS 60 + HB2 LYS 60 OK 94 94 - 100 Peak 3084 from cnoeabs.peaks (1.77, 1.83, 32.70 ppm; 2.40 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 62 + HB2 LYS 62 OK 100 100 - 100 - 1.8=100 HB3 LYS 60 + HB2 LYS 60 OK 96 96 - 100 - 1.8=100 Peak 3085 from cnoeabs.peaks (1.43, 1.83, 32.70 ppm; 3.33 A): 4 out of 4 assignments used, quality = 1.00: * HG2 LYS 62 + HB2 LYS 62 OK 100 100 - 100 - 2.9=100 HG3 LYS 62 + HB2 LYS 62 OK 100 100 - 100 - 2.9=100 HG3 LYS 60 + HB2 LYS 60 OK 95 95 - 100 - 3.0=100 HG2 LYS 60 + HB2 LYS 60 OK 94 94 - 100 - 3.0=100 Peak 3086 from cnoeabs.peaks (1.43, 1.83, 32.70 ppm; 3.33 A): 4 out of 4 assignments used, quality = 1.00: HG2 LYS 62 + HB2 LYS 62 OK 100 100 - 100 - 2.9=100 * HG3 LYS 62 + HB2 LYS 62 OK 100 100 - 100 - 2.9=100 HG3 LYS 60 + HB2 LYS 60 OK 95 95 - 100 - 3.0=100 HG2 LYS 60 + HB2 LYS 60 OK 94 94 - 100 - 3.0=100 Peak 3087 from cnoeabs.peaks (1.67, 1.83, 32.70 ppm; 3.64 A): 2 out of 2 assignments used, quality = 1.00: * HD2 LYS 62 + HB2 LYS 62 OK 100 100 - 100 - 3.4=100 HD3 LYS 62 + HB2 LYS 62 OK 100 100 - 100 - 3.4=100 Peak 3088 from cnoeabs.peaks (1.67, 1.83, 32.70 ppm; 3.64 A): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 62 + HB2 LYS 62 OK 100 100 - 100 - 3.4=100 HD2 LYS 62 + HB2 LYS 62 OK 100 100 - 100 - 3.4=100 Peak 3091 from cnoeabs.peaks (8.30, 1.77, 32.70 ppm; 4.58 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 62 + HB3 LYS 62 OK 100 100 - 100 - 4.0=100 Peak 3092 from cnoeabs.peaks (4.26, 1.77, 32.70 ppm; 3.24 A): 2 out of 2 assignments used, quality = 1.00: * HA LYS 62 + HB3 LYS 62 OK 100 100 - 100 - 3.0=100 HA LYS 60 + HB3 LYS 60 OK 99 99 - 100 - 3.0=100 Peak 3093 from cnoeabs.peaks (1.83, 1.77, 32.70 ppm; 2.40 A): 2 out of 2 assignments used, quality = 1.00: * HB2 LYS 62 + HB3 LYS 62 OK 100 100 - 100 - 1.8=100 HB2 LYS 60 + HB3 LYS 60 OK 98 98 - 100 - 1.8=100 Peak 3094 from cnoeabs.peaks (1.77, 1.77, 32.70 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 62 + HB3 LYS 62 OK 100 100 - 100 HB3 LYS 60 + HB3 LYS 60 OK 99 99 - 100 Peak 3095 from cnoeabs.peaks (1.43, 1.77, 32.70 ppm; 3.18 A): 4 out of 4 assignments used, quality = 1.00: * HG2 LYS 62 + HB3 LYS 62 OK 100 100 - 100 - 2.9=100 HG3 LYS 62 + HB3 LYS 62 OK 100 100 - 100 - 2.9=100 HG3 LYS 60 + HB3 LYS 60 OK 98 98 - 100 - 3.0=100 HG2 LYS 60 + HB3 LYS 60 OK 98 98 - 100 - 3.0=100 Peak 3096 from cnoeabs.peaks (1.43, 1.77, 32.70 ppm; 3.18 A): 4 out of 4 assignments used, quality = 1.00: HG2 LYS 62 + HB3 LYS 62 OK 100 100 - 100 - 2.9=100 * HG3 LYS 62 + HB3 LYS 62 OK 100 100 - 100 - 2.9=100 HG3 LYS 60 + HB3 LYS 60 OK 98 98 - 100 - 3.0=100 HG2 LYS 60 + HB3 LYS 60 OK 98 98 - 100 - 3.0=100 Peak 3097 from cnoeabs.peaks (1.67, 1.77, 32.70 ppm; 3.68 A): 2 out of 2 assignments used, quality = 1.00: * HD2 LYS 62 + HB3 LYS 62 OK 100 100 - 100 - 3.4=100 HD3 LYS 62 + HB3 LYS 62 OK 100 100 - 100 - 3.4=100 Peak 3098 from cnoeabs.peaks (1.67, 1.77, 32.70 ppm; 3.68 A): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 62 + HB3 LYS 62 OK 100 100 - 100 - 3.4=100 HD2 LYS 62 + HB3 LYS 62 OK 100 100 - 100 - 3.4=100 Peak 3102 from cnoeabs.peaks (4.26, 1.43, 24.91 ppm; 4.55 A): 4 out of 4 assignments used, quality = 1.00: * HA LYS 62 + HG2 LYS 62 OK 100 100 - 100 - 3.8=100 HA LYS 62 + HG3 LYS 62 OK 100 100 - 100 - 3.8=100 HA LYS 60 + HG3 LYS 60 OK 79 79 - 100 - 3.9=100 HA LYS 60 + HG2 LYS 60 OK 78 78 - 100 - 3.9=100 Peak 3103 from cnoeabs.peaks (1.83, 1.43, 24.91 ppm; 4.06 A): 4 out of 4 assignments used, quality = 1.00: * HB2 LYS 62 + HG2 LYS 62 OK 100 100 - 100 - 2.9=100 HB2 LYS 62 + HG3 LYS 62 OK 100 100 - 100 - 2.9=100 HB2 LYS 60 + HG3 LYS 60 OK 78 78 - 100 - 3.0=100 HB2 LYS 60 + HG2 LYS 60 OK 77 77 - 100 - 3.0=100 Peak 3104 from cnoeabs.peaks (1.77, 1.43, 24.91 ppm; 4.10 A): 4 out of 4 assignments used, quality = 1.00: * HB3 LYS 62 + HG2 LYS 62 OK 100 100 - 100 - 2.9=100 HB3 LYS 62 + HG3 LYS 62 OK 100 100 - 100 - 2.9=100 HB3 LYS 60 + HG3 LYS 60 OK 80 80 - 100 - 3.0=100 HB3 LYS 60 + HG2 LYS 60 OK 79 79 - 100 - 3.0=100 Peak 3105 from cnoeabs.peaks (1.43, 1.43, 24.91 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HG2 LYS 62 + HG2 LYS 62 OK 100 100 - 100 HG3 LYS 62 + HG3 LYS 62 OK 100 100 - 100 HG2 LYS 39 + HG2 LYS 39 OK 98 98 - 100 HG3 LYS 60 + HG3 LYS 60 OK 79 79 - 100 HG2 LYS 60 + HG2 LYS 60 OK 77 77 - 100 Peak 3106 from cnoeabs.peaks (1.43, 1.43, 24.91 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HG2 LYS 62 + HG2 LYS 62 OK 100 100 - 100 HG3 LYS 62 + HG3 LYS 62 OK 100 100 - 100 HG2 LYS 39 + HG2 LYS 39 OK 98 98 - 100 HG3 LYS 60 + HG3 LYS 60 OK 79 79 - 100 HG2 LYS 60 + HG2 LYS 60 OK 77 77 - 100 Reference assignment not found: HG3 LYS 62 - HG2 LYS 62 Peak 3107 from cnoeabs.peaks (1.67, 1.43, 24.91 ppm; 3.54 A): 10 out of 10 assignments used, quality = 1.00: HD2 LYS 62 + HG3 LYS 62 OK 100 100 - 100 - 3.0=100 * HD2 LYS 62 + HG2 LYS 62 OK 100 100 - 100 - 3.0=100 HD3 LYS 62 + HG3 LYS 62 OK 100 100 - 100 - 3.0=100 HD3 LYS 62 + HG2 LYS 62 OK 100 100 - 100 - 3.0=100 HD3 LYS 60 + HG3 LYS 60 OK 81 81 - 100 - 2.9=100 HD2 LYS 60 + HG3 LYS 60 OK 81 81 - 100 - 2.9=100 HD3 LYS 60 + HG2 LYS 60 OK 79 79 - 100 - 2.9=100 HD2 LYS 60 + HG2 LYS 60 OK 79 79 - 100 - 2.9=100 HD2 LYS 39 + HG2 LYS 39 OK 70 70 - 100 - 3.0=100 HD3 LYS 39 + HG2 LYS 39 OK 70 70 - 100 - 3.0=100 Peak 3108 from cnoeabs.peaks (1.67, 1.43, 24.91 ppm; 3.54 A): 10 out of 10 assignments used, quality = 1.00: * HD3 LYS 62 + HG2 LYS 62 OK 100 100 - 100 - 3.0=100 HD3 LYS 62 + HG3 LYS 62 OK 100 100 - 100 - 3.0=100 HD2 LYS 62 + HG2 LYS 62 OK 100 100 - 100 - 3.0=100 HD2 LYS 62 + HG3 LYS 62 OK 100 100 - 100 - 3.0=100 HD3 LYS 60 + HG3 LYS 60 OK 81 81 - 100 - 2.9=100 HD2 LYS 60 + HG3 LYS 60 OK 80 80 - 100 - 2.9=100 HD3 LYS 60 + HG2 LYS 60 OK 79 79 - 100 - 2.9=100 HD2 LYS 60 + HG2 LYS 60 OK 79 79 - 100 - 2.9=100 HD2 LYS 39 + HG2 LYS 39 OK 68 68 - 100 - 3.0=100 HD3 LYS 39 + HG2 LYS 39 OK 68 68 - 100 - 3.0=100 Peak 3109 from cnoeabs.peaks (2.98, 1.43, 24.91 ppm; 4.38 A): 10 out of 10 assignments used, quality = 1.00: HE2 LYS 62 + HG3 LYS 62 OK 100 100 - 100 - 3.7=100 * HE2 LYS 62 + HG2 LYS 62 OK 100 100 - 100 - 3.7=100 HE3 LYS 62 + HG2 LYS 62 OK 100 100 - 100 - 3.7=100 HE3 LYS 62 + HG3 LYS 62 OK 100 100 - 100 - 3.7=100 HE2 LYS 39 + HG2 LYS 39 OK 99 99 - 100 - 3.6=100 HE3 LYS 39 + HG2 LYS 39 OK 99 99 - 100 - 3.6=100 HE3 LYS 60 + HG3 LYS 60 OK 81 81 - 100 - 3.9=100 HE2 LYS 60 + HG3 LYS 60 OK 81 81 - 100 - 3.9=100 HE3 LYS 60 + HG2 LYS 60 OK 79 79 - 100 - 3.9=100 HE2 LYS 60 + HG2 LYS 60 OK 79 79 - 100 - 3.9=100 Peak 3110 from cnoeabs.peaks (2.99, 1.43, 24.91 ppm; 4.37 A): 10 out of 10 assignments used, quality = 1.00: HE3 LYS 62 + HG3 LYS 62 OK 100 100 - 100 - 3.7=100 * HE3 LYS 62 + HG2 LYS 62 OK 100 100 - 100 - 3.7=100 HE2 LYS 62 + HG2 LYS 62 OK 100 100 - 100 - 3.7=100 HE2 LYS 62 + HG3 LYS 62 OK 100 100 - 100 - 3.7=100 HE2 LYS 39 + HG2 LYS 39 OK 98 98 - 100 - 3.6=100 HE3 LYS 39 + HG2 LYS 39 OK 98 98 - 100 - 3.6=100 HE3 LYS 60 + HG3 LYS 60 OK 80 80 - 100 - 3.9=100 HE2 LYS 60 + HG3 LYS 60 OK 80 80 - 100 - 3.9=100 HE3 LYS 60 + HG2 LYS 60 OK 79 79 - 100 - 3.9=100 HE2 LYS 60 + HG2 LYS 60 OK 78 78 - 100 - 3.9=100 Peak 3112 from cnoeabs.peaks (4.26, 1.43, 24.91 ppm; 4.55 A): 4 out of 4 assignments used, quality = 1.00: HA LYS 62 + HG2 LYS 62 OK 100 100 - 100 - 3.8=100 * HA LYS 62 + HG3 LYS 62 OK 100 100 - 100 - 3.8=100 HA LYS 60 + HG3 LYS 60 OK 79 79 - 100 - 3.9=100 HA LYS 60 + HG2 LYS 60 OK 78 78 - 100 - 3.9=100 Peak 3113 from cnoeabs.peaks (1.83, 1.43, 24.91 ppm; 4.06 A): 4 out of 4 assignments used, quality = 1.00: HB2 LYS 62 + HG2 LYS 62 OK 100 100 - 100 - 2.9=100 * HB2 LYS 62 + HG3 LYS 62 OK 100 100 - 100 - 2.9=100 HB2 LYS 60 + HG3 LYS 60 OK 78 78 - 100 - 3.0=100 HB2 LYS 60 + HG2 LYS 60 OK 77 77 - 100 - 3.0=100 Peak 3114 from cnoeabs.peaks (1.77, 1.43, 24.91 ppm; 4.10 A): 4 out of 4 assignments used, quality = 1.00: HB3 LYS 62 + HG2 LYS 62 OK 100 100 - 100 - 2.9=100 * HB3 LYS 62 + HG3 LYS 62 OK 100 100 - 100 - 2.9=100 HB3 LYS 60 + HG3 LYS 60 OK 80 80 - 100 - 3.0=100 HB3 LYS 60 + HG2 LYS 60 OK 79 79 - 100 - 3.0=100 Peak 3115 from cnoeabs.peaks (1.43, 1.43, 24.91 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HG2 LYS 62 + HG2 LYS 62 OK 100 100 - 100 HG3 LYS 62 + HG3 LYS 62 OK 100 100 - 100 HG2 LYS 39 + HG2 LYS 39 OK 98 98 - 100 HG3 LYS 60 + HG3 LYS 60 OK 79 79 - 100 HG2 LYS 60 + HG2 LYS 60 OK 77 77 - 100 Reference assignment not found: HG2 LYS 62 - HG3 LYS 62 Peak 3116 from cnoeabs.peaks (1.43, 1.43, 24.91 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HG2 LYS 62 + HG2 LYS 62 OK 100 100 - 100 * HG3 LYS 62 + HG3 LYS 62 OK 100 100 - 100 HG2 LYS 39 + HG2 LYS 39 OK 98 98 - 100 HG3 LYS 60 + HG3 LYS 60 OK 79 79 - 100 HG2 LYS 60 + HG2 LYS 60 OK 77 77 - 100 Peak 3117 from cnoeabs.peaks (1.67, 1.43, 24.91 ppm; 3.54 A): 10 out of 10 assignments used, quality = 1.00: * HD2 LYS 62 + HG3 LYS 62 OK 100 100 - 100 - 3.0=100 HD2 LYS 62 + HG2 LYS 62 OK 100 100 - 100 - 3.0=100 HD3 LYS 62 + HG3 LYS 62 OK 100 100 - 100 - 3.0=100 HD3 LYS 62 + HG2 LYS 62 OK 100 100 - 100 - 3.0=100 HD3 LYS 60 + HG3 LYS 60 OK 81 81 - 100 - 2.9=100 HD2 LYS 60 + HG3 LYS 60 OK 81 81 - 100 - 2.9=100 HD3 LYS 60 + HG2 LYS 60 OK 79 79 - 100 - 2.9=100 HD2 LYS 60 + HG2 LYS 60 OK 79 79 - 100 - 2.9=100 HD2 LYS 39 + HG2 LYS 39 OK 70 70 - 100 - 3.0=100 HD3 LYS 39 + HG2 LYS 39 OK 70 70 - 100 - 3.0=100 Peak 3118 from cnoeabs.peaks (1.67, 1.43, 24.91 ppm; 3.54 A): 10 out of 10 assignments used, quality = 1.00: HD3 LYS 62 + HG2 LYS 62 OK 100 100 - 100 - 3.0=100 * HD3 LYS 62 + HG3 LYS 62 OK 100 100 - 100 - 3.0=100 HD2 LYS 62 + HG2 LYS 62 OK 100 100 - 100 - 3.0=100 HD2 LYS 62 + HG3 LYS 62 OK 100 100 - 100 - 3.0=100 HD3 LYS 60 + HG3 LYS 60 OK 81 81 - 100 - 2.9=100 HD2 LYS 60 + HG3 LYS 60 OK 80 80 - 100 - 2.9=100 HD3 LYS 60 + HG2 LYS 60 OK 79 79 - 100 - 2.9=100 HD2 LYS 60 + HG2 LYS 60 OK 79 79 - 100 - 2.9=100 HD2 LYS 39 + HG2 LYS 39 OK 68 68 - 100 - 3.0=100 HD3 LYS 39 + HG2 LYS 39 OK 68 68 - 100 - 3.0=100 Peak 3119 from cnoeabs.peaks (2.98, 1.43, 24.91 ppm; 4.38 A): 10 out of 10 assignments used, quality = 1.00: * HE2 LYS 62 + HG3 LYS 62 OK 100 100 - 100 - 3.7=100 HE2 LYS 62 + HG2 LYS 62 OK 100 100 - 100 - 3.7=100 HE3 LYS 62 + HG2 LYS 62 OK 100 100 - 100 - 3.7=100 HE3 LYS 62 + HG3 LYS 62 OK 100 100 - 100 - 3.7=100 HE2 LYS 39 + HG2 LYS 39 OK 99 99 - 100 - 3.6=100 HE3 LYS 39 + HG2 LYS 39 OK 99 99 - 100 - 3.6=100 HE3 LYS 60 + HG3 LYS 60 OK 81 81 - 100 - 3.9=100 HE2 LYS 60 + HG3 LYS 60 OK 81 81 - 100 - 3.9=100 HE3 LYS 60 + HG2 LYS 60 OK 79 79 - 100 - 3.9=100 HE2 LYS 60 + HG2 LYS 60 OK 79 79 - 100 - 3.9=100 Peak 3120 from cnoeabs.peaks (2.99, 1.43, 24.91 ppm; 4.37 A): 10 out of 10 assignments used, quality = 1.00: * HE3 LYS 62 + HG3 LYS 62 OK 100 100 - 100 - 3.7=100 HE3 LYS 62 + HG2 LYS 62 OK 100 100 - 100 - 3.7=100 HE2 LYS 62 + HG2 LYS 62 OK 100 100 - 100 - 3.7=100 HE2 LYS 62 + HG3 LYS 62 OK 100 100 - 100 - 3.7=100 HE2 LYS 39 + HG2 LYS 39 OK 98 98 - 100 - 3.6=100 HE3 LYS 39 + HG2 LYS 39 OK 98 98 - 100 - 3.6=100 HE3 LYS 60 + HG3 LYS 60 OK 80 80 - 100 - 3.9=100 HE2 LYS 60 + HG3 LYS 60 OK 80 80 - 100 - 3.9=100 HE3 LYS 60 + HG2 LYS 60 OK 79 79 - 100 - 3.9=100 HE2 LYS 60 + HG2 LYS 60 OK 78 78 - 100 - 3.9=100 Peak 3122 from cnoeabs.peaks (4.26, 1.67, 28.78 ppm; 3.98 A): 4 out of 25 assignments used, quality = 1.00: * HA LYS 62 + HD2 LYS 62 OK 84 100 - 84 - 5.0=51, 3.0/3134=10...(25) HA LYS 62 + HD3 LYS 62 OK 84 100 - 84 - 5.0=51, 3.0/3134=10...(25) HA LYS 60 + HD3 LYS 60 OK 77 100 - 77 - 5.2=44, 3.0/3124=8...(22) HA LYS 60 + HD2 LYS 60 OK 76 99 - 77 - 5.2=44, 3.0/2978=8...(22) HA LYS 62 - HD3 LYS 60 OK 17 100 - 17 - 2932=2, 2931/1.8=2...(5) HA LYS 62 - HD2 LYS 60 OK 17 100 - 17 - 2932=2, 2931/1.8=2...(5) HA LYS 60 - HD2 LYS 62 OK 16 100 - 15 - 2932=2, 2931/1.8=1, 3.0/3124=1 HA LYS 60 - HD3 LYS 62 OK 16 100 - 15 - 2932=2, 2931/1.8=1, 3.0/3134=1 HA THR 59 - HD2 LYS 62 OK 15 100 - 15 - 4681/3.4=14 HA THR 59 - HD3 LYS 62 OK 15 100 - 15 - 4681/3.4=14 HA THR 59 - HD3 LYS 60 lone 8 100 - 8 - 4681/3.7=7 HA THR 59 - HD2 LYS 60 lone 8 100 - 8 - 4681/3.7=7 HA ARG 61 - HD2 LYS 62 lone 6 90 - 7 - ~318=2 HA ARG 61 - HD3 LYS 62 lone 6 90 - 7 - ~318=2 HB THR 59 - HD2 LYS 62 lone 5 76 - 7 - ~4681=6 HB THR 59 - HD3 LYS 62 lone 5 76 - 7 - ~4681=6 HA THR 59 - HD3 LYS 42 lone 4 72 - 5 - ~305=1, ~3591=1, ~304=1 HA ARG 61 - HD3 LYS 60 lone 3 90 - 3 - HA ARG 61 - HD2 LYS 60 lone 3 90 - 3 - HA LYS 62 - HD3 LYS 42 lone 2 72 - 2 - HA LYS 60 - HD3 LYS 42 lone 1 71 - 1 - HA ARG 61 - HD3 LYS 42 lone 1 59 - 1 - HB THR 59 - HD3 LYS 42 lone 1 47 - 2 - HB THR 59 - HD3 LYS 60 lone 1 76 - 1 - HB THR 59 - HD2 LYS 60 lone 1 75 - 1 - Peak 3124 from cnoeabs.peaks (1.77, 1.67, 28.78 ppm; 2.59 A): 4 out of 20 assignments used, quality = 0.98: HB3 LYS 62 + HD3 LYS 62 OK 67 100 - 67 - 3.4=43, 2951/1.8=5...(20) * HB3 LYS 62 + HD2 LYS 62 OK 67 100 - 67 - 3.4=43, 2951/1.8=5...(20) HB3 LYS 60 + HD3 LYS 60 OK 58 100 - 58 - 3.7=34, 2951/1.8=4...(19) HB3 LYS 60 + HD2 LYS 60 OK 58 100 - 58 - 3.7=34, 2951/1.8=4...(19) HB3 LYS 60 - HD2 LYS 62 lone 9 100 - 9 - HB3 LYS 60 - HD3 LYS 62 lone 9 100 - 9 - HB3 LYS 62 - HD3 LYS 60 lone 9 100 - 8 - HB3 LYS 62 - HD2 LYS 60 lone 9 100 - 8 - HB2 LYS 58 - HD2 LYS 62 lone 0 65 - 1 - HB2 LYS 58 - HD3 LYS 62 lone 0 65 - 1 - HB3 LYS 62 - HD3 LYS 42 lone 0 72 - 0 - HB2 PRO 32 - HD2 LYS 62 lone 0 81 - 0 - HB2 PRO 32 - HD3 LYS 62 lone 0 80 - 0 - HB2 LYS 58 - HD3 LYS 60 lone 0 65 - 0 - HB2 LYS 58 - HD2 LYS 60 lone 0 65 - 0 - HB3 LYS 60 - HD3 LYS 42 lone 0 71 - 0 - HB2 PRO 32 - HD3 LYS 60 lone 0 81 - 0 - HB2 PRO 32 - HD2 LYS 60 lone 0 80 - 0 - HB2 LYS 58 - HD3 LYS 42 lone 0 40 - 1 - HB2 PRO 32 - HD3 LYS 42 lone 0 51 - 0 - Peak 3125 from cnoeabs.peaks (1.43, 1.67, 28.78 ppm; 2.87 A): 8 out of 50 assignments used, quality = 1.00: HG3 LYS 60 + HD3 LYS 60 OK 96 99 - 96 - 2.9=93, 3.0/3124=5...(21) HG3 LYS 60 + HD2 LYS 60 OK 95 99 - 96 - 2.9=93, 3.0/2978=5...(21) HG2 LYS 60 + HD3 LYS 60 OK 95 99 - 96 - 2.9=93, 3.0/3124=5...(21) HG2 LYS 60 + HD2 LYS 60 OK 95 99 - 96 - 2.9=93, 3.0/2978=5...(21) * HG2 LYS 62 + HD2 LYS 62 OK 95 100 - 95 - 3.0=91, 2.9/3134=6...(21) HG3 LYS 62 + HD2 LYS 62 OK 95 100 - 95 - 3.0=91, 2.9/3134=6...(21) HG2 LYS 62 + HD3 LYS 62 OK 95 100 - 95 - 3.0=91, 2.9/3134=6...(21) HG3 LYS 62 + HD3 LYS 62 OK 95 100 - 95 - 3.0=91, 2.9/3134=6...(21) HG3 LYS 60 - HD2 LYS 62 lone 9 99 - 9 - HG3 LYS 60 - HD3 LYS 62 lone 9 99 - 9 - HG2 LYS 60 - HD2 LYS 62 lone 9 99 - 9 - HG2 LYS 60 - HD3 LYS 62 lone 9 99 - 9 - HG3 LYS 62 - HD3 LYS 60 lone 9 100 - 8 - HG2 LYS 62 - HD3 LYS 60 lone 9 100 - 8 - HG3 LYS 62 - HD2 LYS 60 lone 8 100 - 8 - HG2 LYS 62 - HD2 LYS 60 lone 8 100 - 8 - HB3 LEU 41 - HD3 LYS 42 lone 5 70 - 7 - 4.6/678=3, 4461/3.0=1 HG2 LYS 39 - HD2 LYS 62 lone 3 100 - 3 - HG2 LYS 39 - HD3 LYS 62 lone 3 100 - 3 - HG2 LYS 39 - HD2 LYS 60 lone 3 100 - 3 - HG2 LYS 39 - HD3 LYS 60 lone 3 100 - 3 - HB3 LEU 41 - HD3 LYS 62 lone 1 99 - 1 - HB3 LEU 41 - HD2 LYS 62 lone 1 99 - 1 - HG2 LYS 39 - HD3 LYS 42 lone 1 71 - 2 - HB3 LEU 41 - HD3 LYS 60 lone 1 99 - 1 - HB3 LEU 41 - HD2 LYS 60 lone 1 99 - 1 - HG3 LYS 58 - HD2 LYS 62 lone 1 81 - 1 - HG3 LYS 58 - HD3 LYS 62 lone 1 80 - 1 - HG3 LYS 58 - HD3 LYS 60 lone 1 81 - 1 - HG3 LYS 58 - HD2 LYS 60 lone 1 80 - 1 - HG3 LYS 62 - HD3 LYS 42 lone 1 72 - 1 - HG2 LYS 62 - HD3 LYS 42 lone 1 72 - 1 - HB3 LEU 29 - HD2 LYS 62 lone 1 63 - 1 - HB3 LEU 29 - HD3 LYS 62 lone 1 63 - 1 - HG3 LYS 60 - HD3 LYS 42 lone 0 70 - 1 - HB2 LYS 27 - HD2 LYS 62 lone 0 92 - 1 - HB2 LYS 27 - HD3 LYS 60 lone 0 92 - 1 - HB2 LYS 27 - HD3 LYS 62 lone 0 92 - 1 - HB2 LYS 27 - HD2 LYS 60 lone 0 91 - 1 - HG2 LYS 60 - HD3 LYS 42 lone 0 69 - 1 - HB3 LEU 29 - HD3 LYS 60 lone 0 63 - 1 - HB3 LEU 29 - HD2 LYS 60 lone 0 62 - 1 - HG3 LYS 58 - HD3 LYS 42 lone 0 51 - 1 - HG3 ARG 56 - HD2 LYS 62 lone 0 83 - 1 - HG3 ARG 56 - HD3 LYS 62 lone 0 83 - 1 - HG3 ARG 56 - HD3 LYS 60 lone 0 83 - 0 - HB3 LEU 29 - HD3 LYS 42 lone 0 38 - 1 - HG3 ARG 56 - HD2 LYS 60 lone 0 82 - 0 - HB2 LYS 27 - HD3 LYS 42 lone 0 61 - 1 - HG3 ARG 56 - HD3 LYS 42 lone 0 53 - 1 - Peak 3126 from cnoeabs.peaks (1.43, 1.67, 28.78 ppm; 2.87 A): 8 out of 50 assignments used, quality = 1.00: HG3 LYS 60 + HD3 LYS 60 OK 96 99 - 96 - 2.9=93, 3.0/3124=5...(21) HG3 LYS 60 + HD2 LYS 60 OK 95 99 - 96 - 2.9=93, 3.0/2978=5...(21) HG2 LYS 60 + HD3 LYS 60 OK 95 99 - 96 - 2.9=93, 3.0/3124=5...(21) HG2 LYS 60 + HD2 LYS 60 OK 95 99 - 96 - 2.9=93, 3.0/2978=5...(21) HG2 LYS 62 + HD2 LYS 62 OK 95 100 - 95 - 3.0=91, 2.9/3134=6...(21) * HG3 LYS 62 + HD2 LYS 62 OK 95 100 - 95 - 3.0=91, 2.9/3134=6...(21) HG2 LYS 62 + HD3 LYS 62 OK 95 100 - 95 - 3.0=91, 2.9/3134=6...(21) HG3 LYS 62 + HD3 LYS 62 OK 95 100 - 95 - 3.0=91, 2.9/3134=6...(21) HG3 LYS 60 - HD2 LYS 62 lone 9 99 - 9 - HG3 LYS 60 - HD3 LYS 62 lone 9 99 - 9 - HG2 LYS 60 - HD2 LYS 62 lone 9 99 - 9 - HG2 LYS 60 - HD3 LYS 62 lone 9 99 - 9 - HG3 LYS 62 - HD3 LYS 60 lone 9 100 - 8 - HG2 LYS 62 - HD3 LYS 60 lone 9 100 - 8 - HG3 LYS 62 - HD2 LYS 60 lone 8 100 - 8 - HG2 LYS 62 - HD2 LYS 60 lone 8 100 - 8 - HB3 LEU 41 - HD3 LYS 42 lone 5 70 - 7 - 4.6/678=3, 4461/3.0=1 HG2 LYS 39 - HD2 LYS 62 lone 3 100 - 3 - HG2 LYS 39 - HD3 LYS 62 lone 3 100 - 3 - HG2 LYS 39 - HD2 LYS 60 lone 3 100 - 3 - HG2 LYS 39 - HD3 LYS 60 lone 3 100 - 3 - HB3 LEU 41 - HD3 LYS 62 lone 1 99 - 1 - HB3 LEU 41 - HD2 LYS 62 lone 1 99 - 1 - HG2 LYS 39 - HD3 LYS 42 lone 1 71 - 2 - HB3 LEU 41 - HD3 LYS 60 lone 1 99 - 1 - HB3 LEU 41 - HD2 LYS 60 lone 1 99 - 1 - HG3 LYS 58 - HD2 LYS 62 lone 1 81 - 1 - HG3 LYS 58 - HD3 LYS 62 lone 1 80 - 1 - HG3 LYS 58 - HD3 LYS 60 lone 1 81 - 1 - HG3 LYS 58 - HD2 LYS 60 lone 1 80 - 1 - HG3 LYS 62 - HD3 LYS 42 lone 1 72 - 1 - HG2 LYS 62 - HD3 LYS 42 lone 1 72 - 1 - HB3 LEU 29 - HD2 LYS 62 lone 1 63 - 1 - HB3 LEU 29 - HD3 LYS 62 lone 1 63 - 1 - HG3 LYS 60 - HD3 LYS 42 lone 0 70 - 1 - HB2 LYS 27 - HD2 LYS 62 lone 0 92 - 1 - HB2 LYS 27 - HD3 LYS 60 lone 0 92 - 1 - HB2 LYS 27 - HD3 LYS 62 lone 0 92 - 1 - HB2 LYS 27 - HD2 LYS 60 lone 0 91 - 1 - HG2 LYS 60 - HD3 LYS 42 lone 0 69 - 1 - HB3 LEU 29 - HD3 LYS 60 lone 0 63 - 1 - HB3 LEU 29 - HD2 LYS 60 lone 0 62 - 1 - HG3 LYS 58 - HD3 LYS 42 lone 0 51 - 1 - HG3 ARG 56 - HD2 LYS 62 lone 0 83 - 1 - HG3 ARG 56 - HD3 LYS 62 lone 0 83 - 1 - HG3 ARG 56 - HD3 LYS 60 lone 0 83 - 0 - HB3 LEU 29 - HD3 LYS 42 lone 0 38 - 1 - HG3 ARG 56 - HD2 LYS 60 lone 0 82 - 0 - HB2 LYS 27 - HD3 LYS 42 lone 0 61 - 1 - HG3 ARG 56 - HD3 LYS 42 lone 0 53 - 1 - Peak 3127 from cnoeabs.peaks (1.67, 1.67, 28.78 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HD3 LYS 60 + HD3 LYS 60 OK 100 100 - 100 * HD2 LYS 62 + HD2 LYS 62 OK 100 100 - 100 HD3 LYS 62 + HD3 LYS 62 OK 100 100 - 100 HD2 LYS 60 + HD2 LYS 60 OK 100 100 - 100 HD3 LYS 42 + HD3 LYS 42 OK 67 67 - 100 Peak 3128 from cnoeabs.peaks (1.67, 1.67, 28.78 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HD3 LYS 60 + HD3 LYS 60 OK 100 100 - 100 HD2 LYS 62 + HD2 LYS 62 OK 100 100 - 100 HD3 LYS 62 + HD3 LYS 62 OK 100 100 - 100 HD2 LYS 60 + HD2 LYS 60 OK 100 100 - 100 HD3 LYS 42 + HD3 LYS 42 OK 68 68 - 100 Reference assignment not found: HD3 LYS 62 - HD2 LYS 62 Peak 3129 from cnoeabs.peaks (2.98, 1.67, 28.78 ppm; 2.98 A): 8 out of 8 assignments used, quality = 1.00: HE3 LYS 60 + HD3 LYS 60 OK 100 100 - 100 - 3.0=100 * HE2 LYS 62 + HD2 LYS 62 OK 100 100 - 100 - 3.0=100 HE2 LYS 60 + HD3 LYS 60 OK 100 100 - 100 - 3.0=100 HE2 LYS 62 + HD3 LYS 62 OK 100 100 - 100 - 3.0=100 HE3 LYS 62 + HD2 LYS 62 OK 100 100 - 100 - 3.0=100 HE3 LYS 60 + HD2 LYS 60 OK 100 100 - 100 - 3.0=100 HE2 LYS 60 + HD2 LYS 60 OK 100 100 - 100 - 3.0=100 HE3 LYS 62 + HD3 LYS 62 OK 100 100 - 100 - 3.0=100 Peak 3130 from cnoeabs.peaks (2.99, 1.67, 28.78 ppm; 2.93 A): 8 out of 40 assignments used, quality = 1.00: * HE3 LYS 62 + HD2 LYS 62 OK 98 100 - 98 - 3.0=96, 1.8/3011=4...(28) HE3 LYS 62 + HD3 LYS 62 OK 98 100 - 98 - 3.0=96, 1.8/3011=4...(28) HE2 LYS 62 + HD2 LYS 62 OK 98 100 - 98 - 3.0=96, 1.8/3011=4...(28) HE2 LYS 62 + HD3 LYS 62 OK 98 100 - 98 - 3.0=96, 3011/1.8=4...(28) HE3 LYS 60 + HD3 LYS 60 OK 97 100 - 97 - 3.0=95, 1.8/3011=4...(18) HE2 LYS 60 + HD3 LYS 60 OK 97 100 - 97 - 3.0=95, 1.8/3011=4...(18) HE3 LYS 60 + HD2 LYS 60 OK 97 100 - 97 - 3.0=95, 1.8/3011=4...(18) HE2 LYS 60 + HD2 LYS 60 OK 97 100 - 97 - 3.0=95, 1.8/3011=4...(18) HE3 LYS 60 - HD2 LYS 62 lone 10 100 - 10 - HE3 LYS 60 - HD3 LYS 62 lone 10 100 - 10 - HE2 LYS 60 - HD2 LYS 62 lone 10 100 - 10 - HE2 LYS 60 - HD3 LYS 62 lone 10 100 - 10 - HE3 LYS 62 - HD3 LYS 60 lone 6 100 - 6 - HE2 LYS 62 - HD3 LYS 60 lone 6 100 - 6 - HE3 LYS 62 - HD2 LYS 60 lone 6 100 - 6 - HE2 LYS 62 - HD2 LYS 60 lone 6 100 - 6 - HE3 LYS 49 - HD2 LYS 62 lone 2 99 - 2 - HE2 LYS 49 - HD2 LYS 62 lone 2 99 - 2 - HE3 LYS 49 - HD3 LYS 62 lone 2 99 - 2 - HE2 LYS 49 - HD3 LYS 62 lone 2 99 - 2 - HE3 LYS 39 - HD2 LYS 62 lone 2 100 - 2 - HE2 LYS 39 - HD2 LYS 62 lone 2 100 - 2 - HE3 LYS 39 - HD3 LYS 62 lone 2 100 - 2 - HE2 LYS 39 - HD3 LYS 62 lone 2 100 - 2 - HE2 LYS 39 - HD2 LYS 60 lone 1 99 - 1 - HE3 LYS 39 - HD2 LYS 60 lone 1 99 - 1 - HE2 LYS 39 - HD3 LYS 60 lone 1 100 - 1 - HE3 LYS 39 - HD3 LYS 60 lone 1 100 - 1 - HE2 LYS 49 - HD2 LYS 60 lone 1 99 - 1 - HE3 LYS 49 - HD2 LYS 60 lone 1 99 - 1 - HE2 LYS 49 - HD3 LYS 60 lone 1 99 - 1 - HE3 LYS 49 - HD3 LYS 60 lone 1 99 - 1 - HE3 LYS 49 - HD3 LYS 42 lone 1 69 - 1 - HE2 LYS 49 - HD3 LYS 42 lone 1 69 - 1 - HE3 LYS 62 - HD3 LYS 42 lone 1 72 - 1 - HE2 LYS 62 - HD3 LYS 42 lone 1 71 - 1 - HE3 LYS 60 - HD3 LYS 42 lone 0 71 - 1 - HE2 LYS 60 - HD3 LYS 42 lone 0 71 - 1 - HE2 LYS 39 - HD3 LYS 42 lone 0 71 - 1 - HE3 LYS 39 - HD3 LYS 42 lone 0 71 - 1 - Peak 3132 from cnoeabs.peaks (4.26, 1.67, 28.78 ppm; 3.98 A): 4 out of 25 assignments used, quality = 1.00: * HA LYS 62 + HD3 LYS 62 OK 84 100 - 84 - 5.0=51, 3.0/3134=10...(25) HA LYS 62 + HD2 LYS 62 OK 84 100 - 84 - 5.0=51, 3.0/3134=10...(25) HA LYS 60 + HD3 LYS 60 OK 77 100 - 77 - 5.2=44, 3.0/3134=8...(22) HA LYS 60 + HD2 LYS 60 OK 76 99 - 77 - 5.2=44, 3.0/2988=8...(22) HA LYS 62 - HD3 LYS 60 OK 17 100 - 17 - 2932=2, 2931/1.8=2...(5) HA LYS 62 - HD2 LYS 60 OK 17 100 - 17 - 2932=2, 2931/1.8=2...(5) HA LYS 60 - HD3 LYS 62 OK 16 100 - 15 - 2932=2, 2931/1.8=1, 3.0/3134=1 HA LYS 60 - HD2 LYS 62 OK 16 100 - 15 - 2932=2, 2931/1.8=1, 3.0/3134=1 HA THR 59 - HD3 LYS 62 OK 15 100 - 15 - 4681/3.4=14 HA THR 59 - HD2 LYS 62 OK 15 100 - 15 - 4681/3.4=14 HA THR 59 - HD3 LYS 60 lone 8 100 - 8 - 4681/3.7=7 HA THR 59 - HD2 LYS 60 lone 8 100 - 8 - 4681/3.7=7 HA ARG 61 - HD3 LYS 62 lone 6 90 - 7 - ~318=2 HA ARG 61 - HD2 LYS 62 lone 6 90 - 7 - ~318=2 HB THR 59 - HD3 LYS 62 lone 5 76 - 7 - ~4681=6 HB THR 59 - HD2 LYS 62 lone 5 76 - 7 - ~4681=6 HA THR 59 - HD3 LYS 42 lone 4 74 - 5 - ~305=1, ~3591=1, ~304=1 HA ARG 61 - HD3 LYS 60 lone 3 90 - 3 - HA ARG 61 - HD2 LYS 60 lone 3 89 - 3 - HA LYS 62 - HD3 LYS 42 lone 2 74 - 2 - HA LYS 60 - HD3 LYS 42 lone 1 73 - 1 - HA ARG 61 - HD3 LYS 42 lone 1 61 - 1 - HB THR 59 - HD3 LYS 42 lone 1 49 - 2 - HB THR 59 - HD3 LYS 60 lone 1 76 - 1 - HB THR 59 - HD2 LYS 60 lone 1 75 - 1 - Peak 3134 from cnoeabs.peaks (1.77, 1.67, 28.78 ppm; 2.59 A): 4 out of 20 assignments used, quality = 0.98: * HB3 LYS 62 + HD3 LYS 62 OK 67 100 - 67 - 3.4=43, 2951/1.8=5...(20) HB3 LYS 62 + HD2 LYS 62 OK 67 100 - 67 - 3.4=43, 2951/1.8=5...(20) HB3 LYS 60 + HD3 LYS 60 OK 58 100 - 58 - 3.7=34, 2951/1.8=4...(19) HB3 LYS 60 + HD2 LYS 60 OK 58 100 - 58 - 3.7=34, 2951/1.8=4...(19) HB3 LYS 60 - HD3 LYS 62 lone 9 100 - 9 - HB3 LYS 60 - HD2 LYS 62 lone 9 100 - 9 - HB3 LYS 62 - HD3 LYS 60 lone 9 100 - 8 - HB3 LYS 62 - HD2 LYS 60 lone 8 100 - 8 - HB2 LYS 58 - HD3 LYS 62 lone 0 65 - 1 - HB2 LYS 58 - HD2 LYS 62 lone 0 65 - 1 - HB3 LYS 62 - HD3 LYS 42 lone 0 74 - 0 - HB2 PRO 32 - HD3 LYS 62 lone 0 81 - 0 - HB2 PRO 32 - HD2 LYS 62 lone 0 80 - 0 - HB3 LYS 60 - HD3 LYS 42 lone 0 74 - 0 - HB2 LYS 58 - HD3 LYS 60 lone 0 65 - 0 - HB2 LYS 58 - HD2 LYS 60 lone 0 64 - 0 - HB2 PRO 32 - HD3 LYS 60 lone 0 80 - 0 - HB2 PRO 32 - HD2 LYS 60 lone 0 80 - 0 - HB2 LYS 58 - HD3 LYS 42 lone 0 41 - 1 - HB2 PRO 32 - HD3 LYS 42 lone 0 53 - 0 - Peak 3135 from cnoeabs.peaks (1.43, 1.67, 28.78 ppm; 2.87 A): 8 out of 50 assignments used, quality = 1.00: HG3 LYS 60 + HD3 LYS 60 OK 96 99 - 96 - 2.9=93, 3.0/3134=5...(21) HG2 LYS 60 + HD3 LYS 60 OK 95 99 - 96 - 2.9=93, 3.0/3134=5...(21) HG3 LYS 60 + HD2 LYS 60 OK 95 99 - 96 - 2.9=93, 3.0/2988=5...(21) HG2 LYS 60 + HD2 LYS 60 OK 95 98 - 96 - 2.9=93, 3.0/2988=5...(21) * HG2 LYS 62 + HD3 LYS 62 OK 95 100 - 95 - 3.0=91, 2.9/3134=6...(21) HG3 LYS 62 + HD3 LYS 62 OK 95 100 - 95 - 3.0=91, 2.9/3134=6...(21) HG2 LYS 62 + HD2 LYS 62 OK 95 100 - 95 - 3.0=91, 2.9/3134=6...(21) HG3 LYS 62 + HD2 LYS 62 OK 95 100 - 95 - 3.0=91, 2.9/3134=6...(21) HG3 LYS 60 - HD3 LYS 62 lone 9 99 - 9 - HG3 LYS 60 - HD2 LYS 62 lone 9 99 - 9 - HG2 LYS 60 - HD3 LYS 62 lone 9 99 - 9 - HG2 LYS 60 - HD2 LYS 62 lone 9 99 - 9 - HG3 LYS 62 - HD3 LYS 60 lone 9 100 - 8 - HG2 LYS 62 - HD3 LYS 60 lone 9 100 - 8 - HG3 LYS 62 - HD2 LYS 60 lone 8 100 - 8 - HG2 LYS 62 - HD2 LYS 60 lone 8 100 - 8 - HB3 LEU 41 - HD3 LYS 42 lone 5 72 - 7 - 4.6/678=3, 4461/3.0=1 HG2 LYS 39 - HD2 LYS 62 lone 3 100 - 3 - HG2 LYS 39 - HD3 LYS 62 lone 3 100 - 3 - HG2 LYS 39 - HD3 LYS 60 lone 3 100 - 3 - HG2 LYS 39 - HD2 LYS 60 lone 3 100 - 3 - HB3 LEU 41 - HD3 LYS 62 lone 1 99 - 1 - HB3 LEU 41 - HD2 LYS 62 lone 1 99 - 1 - HG2 LYS 39 - HD3 LYS 42 lone 1 74 - 2 - HB3 LEU 41 - HD3 LYS 60 lone 1 99 - 1 - HB3 LEU 41 - HD2 LYS 60 lone 1 99 - 1 - HG3 LYS 58 - HD3 LYS 62 lone 1 81 - 1 - HG3 LYS 58 - HD2 LYS 62 lone 1 80 - 1 - HG3 LYS 58 - HD3 LYS 60 lone 1 80 - 1 - HG3 LYS 58 - HD2 LYS 60 lone 1 80 - 1 - HG3 LYS 62 - HD3 LYS 42 lone 1 74 - 1 - HG2 LYS 62 - HD3 LYS 42 lone 1 74 - 1 - HB3 LEU 29 - HD3 LYS 62 lone 1 63 - 1 - HB3 LEU 29 - HD2 LYS 62 lone 1 63 - 1 - HG3 LYS 60 - HD3 LYS 42 lone 1 72 - 1 - HG2 LYS 60 - HD3 LYS 42 lone 0 72 - 1 - HB2 LYS 27 - HD3 LYS 62 lone 0 92 - 1 - HB2 LYS 27 - HD2 LYS 62 lone 0 92 - 1 - HB2 LYS 27 - HD3 LYS 60 lone 0 92 - 1 - HB2 LYS 27 - HD2 LYS 60 lone 0 91 - 1 - HG3 LYS 58 - HD3 LYS 42 lone 0 53 - 1 - HB3 LEU 29 - HD3 LYS 60 lone 0 63 - 1 - HB3 LEU 29 - HD2 LYS 60 lone 0 62 - 1 - HG3 ARG 56 - HD3 LYS 62 lone 0 83 - 1 - HG3 ARG 56 - HD2 LYS 62 lone 0 83 - 1 - HB3 LEU 29 - HD3 LYS 42 lone 0 39 - 1 - HG3 ARG 56 - HD3 LYS 60 lone 0 83 - 0 - HG3 ARG 56 - HD2 LYS 60 lone 0 82 - 0 - HB2 LYS 27 - HD3 LYS 42 lone 0 63 - 1 - HG3 ARG 56 - HD3 LYS 42 lone 0 54 - 1 - Peak 3136 from cnoeabs.peaks (1.43, 1.67, 28.78 ppm; 2.87 A): 8 out of 50 assignments used, quality = 1.00: HG3 LYS 60 + HD3 LYS 60 OK 96 99 - 96 - 2.9=93, 3.0/3134=5...(21) HG2 LYS 60 + HD3 LYS 60 OK 95 99 - 96 - 2.9=93, 3.0/3134=5...(21) HG3 LYS 60 + HD2 LYS 60 OK 95 99 - 96 - 2.9=93, 3.0/2988=5...(21) HG2 LYS 60 + HD2 LYS 60 OK 95 98 - 96 - 2.9=93, 3.0/2988=5...(21) HG2 LYS 62 + HD3 LYS 62 OK 95 100 - 95 - 3.0=91, 2.9/3134=6...(21) * HG3 LYS 62 + HD3 LYS 62 OK 95 100 - 95 - 3.0=91, 2.9/3134=6...(21) HG2 LYS 62 + HD2 LYS 62 OK 95 100 - 95 - 3.0=91, 2.9/3134=6...(21) HG3 LYS 62 + HD2 LYS 62 OK 95 100 - 95 - 3.0=91, 2.9/3134=6...(21) HG3 LYS 60 - HD3 LYS 62 lone 9 99 - 9 - HG3 LYS 60 - HD2 LYS 62 lone 9 99 - 9 - HG2 LYS 60 - HD3 LYS 62 lone 9 99 - 9 - HG2 LYS 60 - HD2 LYS 62 lone 9 99 - 9 - HG3 LYS 62 - HD3 LYS 60 lone 9 100 - 8 - HG2 LYS 62 - HD3 LYS 60 lone 9 100 - 8 - HG3 LYS 62 - HD2 LYS 60 lone 8 100 - 8 - HG2 LYS 62 - HD2 LYS 60 lone 8 100 - 8 - HB3 LEU 41 - HD3 LYS 42 lone 5 72 - 7 - 4.6/678=3, 4461/3.0=1 HG2 LYS 39 - HD2 LYS 62 lone 3 100 - 3 - HG2 LYS 39 - HD3 LYS 62 lone 3 100 - 3 - HG2 LYS 39 - HD3 LYS 60 lone 3 100 - 3 - HG2 LYS 39 - HD2 LYS 60 lone 3 100 - 3 - HB3 LEU 41 - HD3 LYS 62 lone 1 99 - 1 - HB3 LEU 41 - HD2 LYS 62 lone 1 99 - 1 - HG2 LYS 39 - HD3 LYS 42 lone 1 74 - 2 - HB3 LEU 41 - HD3 LYS 60 lone 1 99 - 1 - HB3 LEU 41 - HD2 LYS 60 lone 1 99 - 1 - HG3 LYS 58 - HD3 LYS 62 lone 1 81 - 1 - HG3 LYS 58 - HD2 LYS 62 lone 1 80 - 1 - HG3 LYS 58 - HD3 LYS 60 lone 1 80 - 1 - HG3 LYS 58 - HD2 LYS 60 lone 1 80 - 1 - HG3 LYS 62 - HD3 LYS 42 lone 1 74 - 1 - HG2 LYS 62 - HD3 LYS 42 lone 1 74 - 1 - HB3 LEU 29 - HD3 LYS 62 lone 1 63 - 1 - HB3 LEU 29 - HD2 LYS 62 lone 1 63 - 1 - HG3 LYS 60 - HD3 LYS 42 lone 1 72 - 1 - HG2 LYS 60 - HD3 LYS 42 lone 0 72 - 1 - HB2 LYS 27 - HD3 LYS 62 lone 0 92 - 1 - HB2 LYS 27 - HD2 LYS 62 lone 0 92 - 1 - HB2 LYS 27 - HD3 LYS 60 lone 0 92 - 1 - HB2 LYS 27 - HD2 LYS 60 lone 0 91 - 1 - HG3 LYS 58 - HD3 LYS 42 lone 0 53 - 1 - HB3 LEU 29 - HD3 LYS 60 lone 0 63 - 1 - HB3 LEU 29 - HD2 LYS 60 lone 0 62 - 1 - HG3 ARG 56 - HD3 LYS 62 lone 0 83 - 1 - HG3 ARG 56 - HD2 LYS 62 lone 0 83 - 1 - HB3 LEU 29 - HD3 LYS 42 lone 0 39 - 1 - HG3 ARG 56 - HD3 LYS 60 lone 0 83 - 0 - HG3 ARG 56 - HD2 LYS 60 lone 0 82 - 0 - HB2 LYS 27 - HD3 LYS 42 lone 0 63 - 1 - HG3 ARG 56 - HD3 LYS 42 lone 0 54 - 1 - Peak 3137 from cnoeabs.peaks (1.67, 1.67, 28.78 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HD3 LYS 62 + HD3 LYS 62 OK 100 100 - 100 HD2 LYS 62 + HD2 LYS 62 OK 100 100 - 100 HD3 LYS 60 + HD3 LYS 60 OK 100 100 - 100 HD2 LYS 60 + HD2 LYS 60 OK 100 100 - 100 HD3 LYS 42 + HD3 LYS 42 OK 69 69 - 100 Reference assignment not found: HD2 LYS 62 - HD3 LYS 62 Peak 3138 from cnoeabs.peaks (1.67, 1.67, 28.78 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HD3 LYS 62 + HD3 LYS 62 OK 100 100 - 100 HD2 LYS 62 + HD2 LYS 62 OK 100 100 - 100 HD3 LYS 60 + HD3 LYS 60 OK 100 100 - 100 HD2 LYS 60 + HD2 LYS 60 OK 100 100 - 100 HD3 LYS 42 + HD3 LYS 42 OK 70 70 - 100 Peak 3139 from cnoeabs.peaks (2.98, 1.67, 28.78 ppm; 2.98 A): 8 out of 8 assignments used, quality = 1.00: * HE2 LYS 62 + HD3 LYS 62 OK 100 100 - 100 - 3.0=100 HE3 LYS 60 + HD3 LYS 60 OK 100 100 - 100 - 3.0=100 HE2 LYS 62 + HD2 LYS 62 OK 100 100 - 100 - 3.0=100 HE2 LYS 60 + HD3 LYS 60 OK 100 100 - 100 - 3.0=100 HE3 LYS 62 + HD3 LYS 62 OK 100 100 - 100 - 3.0=100 HE3 LYS 62 + HD2 LYS 62 OK 100 100 - 100 - 3.0=100 HE3 LYS 60 + HD2 LYS 60 OK 100 100 - 100 - 3.0=100 HE2 LYS 60 + HD2 LYS 60 OK 100 100 - 100 - 3.0=100 Peak 3140 from cnoeabs.peaks (2.99, 1.67, 28.78 ppm; 2.93 A): 8 out of 40 assignments used, quality = 1.00: * HE3 LYS 62 + HD3 LYS 62 OK 98 100 - 98 - 3.0=96, 1.8/3011=4...(28) HE3 LYS 62 + HD2 LYS 62 OK 98 100 - 98 - 3.0=96, 1.8/3011=4...(28) HE2 LYS 62 + HD3 LYS 62 OK 98 100 - 98 - 3.0=96, 3011/1.8=4...(28) HE2 LYS 62 + HD2 LYS 62 OK 98 100 - 98 - 3.0=96, 3011/1.8=4...(28) HE3 LYS 60 + HD3 LYS 60 OK 97 100 - 97 - 3.0=95, 1.8/3011=4...(18) HE2 LYS 60 + HD3 LYS 60 OK 97 100 - 97 - 3.0=95, 1.8/3011=4...(18) HE3 LYS 60 + HD2 LYS 60 OK 97 100 - 97 - 3.0=95, 1.8/3011=4...(18) HE2 LYS 60 + HD2 LYS 60 OK 96 99 - 97 - 3.0=95, 1.8/3011=4...(18) HE3 LYS 60 - HD3 LYS 62 lone 10 100 - 10 - HE3 LYS 60 - HD2 LYS 62 lone 10 100 - 10 - HE2 LYS 60 - HD3 LYS 62 lone 10 100 - 10 - HE2 LYS 60 - HD2 LYS 62 lone 10 100 - 10 - HE3 LYS 62 - HD3 LYS 60 lone 6 100 - 6 - HE2 LYS 62 - HD3 LYS 60 lone 6 100 - 6 - HE3 LYS 62 - HD2 LYS 60 lone 6 100 - 6 - HE2 LYS 62 - HD2 LYS 60 lone 6 100 - 6 - HE3 LYS 49 - HD3 LYS 62 lone 2 99 - 2 - HE2 LYS 49 - HD3 LYS 62 lone 2 99 - 2 - HE3 LYS 49 - HD2 LYS 62 lone 2 99 - 2 - HE2 LYS 49 - HD2 LYS 62 lone 2 99 - 2 - HE3 LYS 39 - HD2 LYS 62 lone 2 100 - 2 - HE2 LYS 39 - HD2 LYS 62 lone 2 100 - 2 - HE2 LYS 39 - HD3 LYS 62 lone 2 100 - 2 - HE3 LYS 39 - HD3 LYS 62 lone 2 100 - 2 - HE3 LYS 39 - HD2 LYS 60 lone 1 99 - 1 - HE2 LYS 39 - HD2 LYS 60 lone 1 99 - 1 - HE3 LYS 39 - HD3 LYS 60 lone 1 100 - 1 - HE2 LYS 39 - HD3 LYS 60 lone 1 100 - 1 - HE2 LYS 49 - HD3 LYS 60 lone 1 99 - 1 - HE3 LYS 49 - HD3 LYS 60 lone 1 99 - 1 - HE2 LYS 49 - HD2 LYS 60 lone 1 98 - 1 - HE3 LYS 49 - HD2 LYS 60 lone 1 98 - 1 - HE3 LYS 49 - HD3 LYS 42 lone 1 72 - 1 - HE2 LYS 49 - HD3 LYS 42 lone 1 72 - 1 - HE3 LYS 62 - HD3 LYS 42 lone 1 74 - 1 - HE2 LYS 62 - HD3 LYS 42 lone 1 74 - 1 - HE3 LYS 60 - HD3 LYS 42 lone 0 74 - 1 - HE2 LYS 60 - HD3 LYS 42 lone 0 73 - 1 - HE2 LYS 39 - HD3 LYS 42 lone 0 73 - 1 - HE3 LYS 39 - HD3 LYS 42 lone 0 73 - 1 - Peak 3143 from cnoeabs.peaks (1.83, 2.98, 42.11 ppm; 3.95 A): 4 out of 64 assignments used, quality = 1.00: * HB2 LYS 62 + HE2 LYS 62 OK 91 100 - 91 - 4.6=63, 1.8/3144=7...(52) HB2 LYS 62 + HE3 LYS 62 OK 91 100 - 91 - 4.6=63, 1.8/3154=7...(52) HB2 LYS 60 + HE3 LYS 60 OK 84 99 - 85 - 4.9=52, 1.8/3008=7...(43) HB2 LYS 60 + HE2 LYS 60 OK 84 98 - 85 - 4.9=52, 1.8/2998=7...(43) HB2 LYS 62 - HE3 LYS 60 OK 19 100 - 19 - 1.8/3144=1, ~2998=1...(5) HB2 LYS 62 - HE2 LYS 60 OK 19 100 - 19 - 1.8/3144=1, ~2998=1...(5) HB2 LYS 60 - HE2 LYS 62 OK 18 99 - 18 - 1.8/3144=1, ~3154=1...(5) HB2 LYS 60 - HE3 LYS 62 OK 18 98 - 18 - 1.8/3154=1, ~2998=1...(5) HB2 ARG 61 - HE2 LYS 62 lone 5 89 - 6 - 327/7.4=3 HB2 ARG 61 - HE3 LYS 62 lone 5 88 - 6 - 327/7.4=3 HB2 LYS 62 - HE2 LYS 49 lone 3 99 - 3 - HB2 LYS 62 - HE3 LYS 49 lone 3 99 - 3 - HD2 LYS 22 - HE2 LYS 49 lone 2 96 - 3 - HD2 LYS 22 - HE3 LYS 49 lone 2 96 - 3 - HB2 LYS 60 - HE2 LYS 49 lone 2 97 - 2 - HB2 LYS 60 - HE3 LYS 49 lone 2 97 - 2 - HB3 GLN 47 - HE3 LYS 49 lone 2 99 - 2 - HB3 GLN 47 - HE2 LYS 49 lone 2 99 - 2 - HB2 LYS 62 - HE3 LYS 39 lone 2 70 - 2 - HB2 LYS 62 - HE2 LYS 39 lone 2 70 - 2 - HB2 LYS 60 - HE2 LYS 39 lone 1 68 - 2 - HB2 LYS 60 - HE3 LYS 39 lone 1 68 - 2 - HD2 LYS 22 - HE2 LYS 62 lone 1 98 - 1 - HB3 GLN 47 - HE2 LYS 39 lone 1 70 - 2 - HB3 GLN 47 - HE3 LYS 39 lone 1 70 - 2 - HB2 ARG 61 - HE3 LYS 60 lone 1 88 - 2 - HB2 ARG 61 - HE2 LYS 60 lone 1 88 - 2 - HD2 LYS 22 - HE3 LYS 62 lone 1 97 - 1 - HB2 ARG 61 - HE3 LYS 49 lone 1 86 - 2 - HB2 ARG 61 - HE2 LYS 49 lone 1 86 - 2 - HD2 LYS 22 - HE2 LYS 60 lone 1 97 - 1 - HD2 LYS 22 - HE3 LYS 60 lone 1 97 - 1 - HB3 GLN 47 - HE2 LYS 62 lone 1 100 - 1 - HB3 GLN 47 - HE3 LYS 62 lone 1 100 - 1 - HB3 GLN 47 - HE2 LYS 60 lone 1 100 - 1 - HB3 GLN 47 - HE3 LYS 60 lone 1 100 - 1 - HB ILE 17 - HE2 LYS 62 lone 1 97 - 1 - HB ILE 17 - HE3 LYS 62 lone 1 97 - 1 - HB2 LYS 58 - HE2 LYS 62 lone 1 68 - 2 - HB2 LYS 58 - HE3 LYS 62 lone 1 67 - 2 - HB ILE 17 - HE3 LYS 60 lone 1 97 - 1 - HB ILE 17 - HE2 LYS 60 lone 1 97 - 1 - HB ILE 17 - HE3 LYS 49 lone 1 95 - 1 - HB ILE 17 - HE2 LYS 49 lone 1 95 - 1 - HB2 LYS 58 - HE3 LYS 39 lone 1 41 - 3 - HB2 LYS 58 - HE2 LYS 39 lone 1 41 - 3 - HD2 LYS 22 - HE3 LYS 39 lone 1 66 - 2 - HD2 LYS 22 - HE2 LYS 39 lone 1 66 - 2 - HB3 MET 11 - HE2 LYS 62 lone 1 99 - 1 - HB3 MET 11 - HE3 LYS 62 lone 1 98 - 1 - HB3 MET 11 - HE2 LYS 49 lone 1 97 - 1 - HB3 MET 11 - HE3 LYS 49 lone 1 97 - 1 - HB3 MET 11 - HE3 LYS 60 lone 1 99 - 1 - HB3 MET 11 - HE2 LYS 60 lone 1 98 - 1 - HB2 LYS 58 - HE3 LYS 60 lone 1 67 - 1 - HB2 LYS 58 - HE2 LYS 60 lone 1 67 - 1 - HB2 LYS 58 - HE2 LYS 49 lone 1 65 - 1 - HB2 LYS 58 - HE3 LYS 49 lone 1 65 - 1 - HB ILE 17 - HE3 LYS 39 lone 1 65 - 1 - HB ILE 17 - HE2 LYS 39 lone 1 65 - 1 - HB3 MET 11 - HE2 LYS 39 lone 1 68 - 1 - HB3 MET 11 - HE3 LYS 39 lone 1 68 - 1 - HB2 ARG 61 - HE2 LYS 39 lone 1 56 - 1 - HB2 ARG 61 - HE3 LYS 39 lone 1 56 - 1 - Peak 3144 from cnoeabs.peaks (1.77, 2.98, 42.11 ppm; 4.06 A): 4 out of 32 assignments used, quality = 1.00: * HB3 LYS 62 + HE2 LYS 62 OK 92 100 - 92 - 4.6=68, 3134/3.0=10...(47) HB3 LYS 62 + HE3 LYS 62 OK 92 100 - 92 - 4.6=68, 3134/3.0=10...(47) HB3 LYS 60 + HE3 LYS 60 OK 85 100 - 85 - 4.9=56, 3134/3.0=9...(38) HB3 LYS 60 + HE2 LYS 60 OK 85 100 - 85 - 4.9=56, 3134/3.0=9...(38) HB3 LYS 62 - HE3 LYS 60 OK 19 100 - 19 - 1.8/3143=1, 3134/3.0=1...(7) HB3 LYS 62 - HE2 LYS 60 OK 19 100 - 19 - 1.8/3143=1, 3134/3.0=1...(7) HB3 LYS 60 - HE2 LYS 62 OK 19 100 - 18 - 1.8/3143=1, 819/7.4=1...(5) HB3 LYS 60 - HE3 LYS 62 OK 18 100 - 18 - 1.8/3153=1, 819/7.4=1...(4) HB3 LYS 62 - HE3 LYS 49 lone 3 99 - 3 - HB3 LYS 62 - HE2 LYS 49 lone 3 99 - 3 - HB3 LYS 60 - HE3 LYS 49 lone 2 99 - 2 - HB3 LYS 60 - HE2 LYS 49 lone 2 99 - 2 - HB3 LYS 62 - HE3 LYS 39 lone 2 70 - 3 - HB3 LYS 62 - HE2 LYS 39 lone 2 70 - 3 - HB3 LYS 60 - HE3 LYS 39 lone 2 70 - 2 - HB3 LYS 60 - HE2 LYS 39 lone 2 70 - 2 - HB2 PRO 32 - HE2 LYS 49 lone 1 78 - 2 - HB2 PRO 32 - HE3 LYS 49 lone 1 78 - 2 - HB2 LYS 58 - HE2 LYS 62 lone 1 65 - 2 - HB2 LYS 58 - HE3 LYS 62 lone 1 64 - 2 - HB2 LYS 58 - HE3 LYS 39 lone 1 39 - 3 - HB2 LYS 58 - HE2 LYS 39 lone 1 39 - 3 - HB2 LYS 58 - HE3 LYS 60 lone 1 65 - 2 - HB2 LYS 58 - HE2 LYS 60 lone 1 64 - 2 - HB2 PRO 32 - HE2 LYS 62 lone 1 81 - 1 - HB2 PRO 32 - HE3 LYS 62 lone 1 80 - 1 - HB2 PRO 32 - HE3 LYS 60 lone 1 80 - 1 - HB2 PRO 32 - HE2 LYS 60 lone 1 79 - 1 - HB2 LYS 58 - HE3 LYS 49 lone 1 63 - 1 - HB2 LYS 58 - HE2 LYS 49 lone 1 63 - 1 - HB2 PRO 32 - HE2 LYS 39 lone 1 50 - 1 - HB2 PRO 32 - HE3 LYS 39 lone 1 50 - 1 - Peak 3145 from cnoeabs.peaks (1.43, 2.98, 42.11 ppm; 3.24 A): 10 out of 80 assignments used, quality = 1.00: HG3 LYS 62 + HE2 LYS 62 OK 83 100 - 83 - 3.7=65, 2.9/3144=4...(40) * HG2 LYS 62 + HE2 LYS 62 OK 83 100 - 83 - 3.7=65, 2.9/3144=4...(40) HG2 LYS 62 + HE3 LYS 62 OK 83 100 - 83 - 3.7=65, 2.9/3154=4...(40) HG3 LYS 62 + HE3 LYS 62 OK 83 100 - 83 - 3.7=65, 2.9/3154=4...(40) HG3 LYS 60 + HE3 LYS 60 OK 78 99 - 79 - 3.9=56, 3.0/3008=3...(40) HG3 LYS 60 + HE2 LYS 60 OK 78 99 - 79 - 3.9=56, 3.0/2998=3...(40) HG2 LYS 60 + HE3 LYS 60 OK 77 99 - 79 - 3.9=56, 3.0/3008=3...(40) HG2 LYS 60 + HE2 LYS 60 OK 77 98 - 79 - 3.9=56, 3.0/2998=3...(40) HG2 LYS 39 + HE2 LYS 39 OK 60 70 - 85 - 3.6=72, ~2032=6, ~2031=6...(26) HG2 LYS 39 + HE3 LYS 39 OK 60 70 - 85 - 3.6=72, ~2032=6, ~2031=6...(26) HG3 LYS 62 - HE3 LYS 60 OK 11 100 - 11 - HG2 LYS 62 - HE3 LYS 60 OK 11 100 - 11 - HG3 LYS 62 - HE2 LYS 60 OK 11 100 - 11 - HG2 LYS 62 - HE2 LYS 60 OK 11 100 - 11 - HG3 LYS 60 - HE2 LYS 62 OK 10 99 - 10 - HG2 LYS 60 - HE2 LYS 62 OK 10 99 - 10 - HG3 LYS 60 - HE3 LYS 62 OK 10 99 - 10 - HG2 LYS 60 - HE3 LYS 62 OK 10 98 - 10 - HG2 LYS 39 - HE3 LYS 49 lone 5 99 - 5 - HG2 LYS 39 - HE2 LYS 49 lone 5 99 - 5 - HG2 LYS 39 - HE2 LYS 62 lone 3 100 - 3 - HG2 LYS 39 - HE3 LYS 62 lone 3 100 - 3 - HG2 LYS 39 - HE3 LYS 60 lone 3 100 - 3 - HG2 LYS 39 - HE2 LYS 60 lone 3 100 - 3 - HB3 LEU 41 - HE3 LYS 39 lone 2 69 - 3 - 1989/6.1=1 HB3 LEU 41 - HE2 LYS 39 lone 2 69 - 3 - 1989/6.1=1 HG3 LYS 62 - HE2 LYS 49 lone 2 99 - 2 - HG3 LYS 62 - HE3 LYS 49 lone 2 99 - 2 - HG2 LYS 62 - HE3 LYS 49 lone 2 99 - 2 - HG2 LYS 62 - HE2 LYS 49 lone 2 99 - 2 - HB3 LEU 29 - HE3 LYS 49 lone 2 60 - 3 - HB3 LEU 29 - HE2 LYS 49 lone 2 60 - 3 - HB3 LEU 41 - HE3 LYS 49 lone 2 98 - 2 - HB3 LEU 41 - HE2 LYS 49 lone 2 98 - 2 - HB2 LYS 27 - HE2 LYS 49 lone 2 89 - 2 - HB2 LYS 27 - HE3 LYS 49 lone 2 89 - 2 - HG3 LYS 60 - HE3 LYS 49 lone 2 98 - 1 - HG3 LYS 60 - HE2 LYS 49 lone 2 98 - 1 - HG2 LYS 60 - HE2 LYS 49 lone 1 97 - 1 - HG2 LYS 60 - HE3 LYS 49 lone 1 97 - 1 - HG3 LYS 58 - HE3 LYS 39 lone 1 50 - 3 - HG3 LYS 58 - HE2 LYS 39 lone 1 50 - 3 - HG2 LYS 62 - HE2 LYS 39 lone 1 70 - 2 - HG2 LYS 62 - HE3 LYS 39 lone 1 70 - 2 - HG3 LYS 62 - HE3 LYS 39 lone 1 70 - 2 - HG3 LYS 62 - HE2 LYS 39 lone 1 70 - 2 - HG3 LYS 60 - HE3 LYS 39 lone 1 69 - 2 - HG3 LYS 60 - HE2 LYS 39 lone 1 69 - 2 - HG2 LYS 60 - HE3 LYS 39 lone 1 68 - 2 - HG2 LYS 60 - HE2 LYS 39 lone 1 68 - 2 - HB3 LEU 41 - HE2 LYS 62 lone 1 99 - 1 - HB3 LEU 41 - HE3 LYS 60 lone 1 99 - 1 - HB3 LEU 41 - HE2 LYS 60 lone 1 99 - 1 - HB3 LEU 41 - HE3 LYS 62 lone 1 99 - 1 - HG3 LYS 58 - HE2 LYS 62 lone 1 81 - 1 - HG3 LYS 58 - HE3 LYS 62 lone 1 80 - 1 - HG3 LYS 58 - HE3 LYS 60 lone 1 80 - 1 - HG3 LYS 58 - HE2 LYS 60 lone 1 79 - 1 - HB2 LYS 27 - HE3 LYS 60 lone 1 91 - 1 - HB2 LYS 27 - HE2 LYS 60 lone 1 91 - 1 - HB2 LYS 27 - HE2 LYS 62 lone 1 92 - 1 - HB2 LYS 27 - HE3 LYS 39 lone 1 59 - 1 - HB2 LYS 27 - HE2 LYS 39 lone 1 59 - 1 - HB2 LYS 27 - HE3 LYS 62 lone 1 91 - 1 - HG3 LYS 58 - HE3 LYS 49 lone 1 78 - 1 - HG3 LYS 58 - HE2 LYS 49 lone 1 78 - 1 - HG3 ARG 56 - HE2 LYS 62 lone 1 83 - 1 - HG3 ARG 56 - HE3 LYS 62 lone 1 82 - 1 - HG3 ARG 56 - HE3 LYS 60 lone 1 82 - 1 - HG3 ARG 56 - HE2 LYS 60 lone 1 82 - 1 - HG3 ARG 56 - HE3 LYS 39 lone 1 51 - 1 - HG3 ARG 56 - HE2 LYS 39 lone 1 51 - 1 - HG3 ARG 56 - HE3 LYS 49 lone 0 80 - 1 - HG3 ARG 56 - HE2 LYS 49 lone 0 80 - 1 - HB3 LEU 29 - HE2 LYS 62 lone 0 63 - 1 - HB3 LEU 29 - HE3 LYS 62 lone 0 62 - 1 - HB3 LEU 29 - HE3 LYS 60 lone 0 62 - 1 - HB3 LEU 29 - HE2 LYS 60 lone 0 62 - 1 - HB3 LEU 29 - HE2 LYS 39 lone 0 37 - 1 - HB3 LEU 29 - HE3 LYS 39 lone 0 37 - 1 - Peak 3146 from cnoeabs.peaks (1.43, 2.98, 42.11 ppm; 3.24 A): 10 out of 80 assignments used, quality = 1.00: * HG3 LYS 62 + HE2 LYS 62 OK 83 100 - 83 - 3.7=65, 2.9/3144=4...(40) HG2 LYS 62 + HE2 LYS 62 OK 83 100 - 83 - 3.7=65, 2.9/3144=4...(40) HG2 LYS 62 + HE3 LYS 62 OK 83 100 - 83 - 3.7=65, 2.9/3154=4...(40) HG3 LYS 62 + HE3 LYS 62 OK 83 100 - 83 - 3.7=65, 2.9/3154=4...(40) HG3 LYS 60 + HE3 LYS 60 OK 78 99 - 79 - 3.9=56, 3.0/3008=3...(40) HG3 LYS 60 + HE2 LYS 60 OK 78 99 - 79 - 3.9=56, 3.0/2998=3...(40) HG2 LYS 60 + HE3 LYS 60 OK 77 99 - 79 - 3.9=56, 3.0/3008=3...(40) HG2 LYS 60 + HE2 LYS 60 OK 77 98 - 79 - 3.9=56, 3.0/2998=3...(40) HG2 LYS 39 + HE2 LYS 39 OK 60 70 - 85 - 3.6=72, ~2032=6, ~2031=6...(26) HG2 LYS 39 + HE3 LYS 39 OK 60 70 - 85 - 3.6=72, ~2032=6, ~2031=6...(26) HG3 LYS 62 - HE3 LYS 60 OK 11 100 - 11 - HG2 LYS 62 - HE3 LYS 60 OK 11 100 - 11 - HG3 LYS 62 - HE2 LYS 60 OK 11 100 - 11 - HG2 LYS 62 - HE2 LYS 60 OK 11 100 - 11 - HG3 LYS 60 - HE2 LYS 62 OK 10 99 - 10 - HG2 LYS 60 - HE2 LYS 62 OK 10 99 - 10 - HG3 LYS 60 - HE3 LYS 62 OK 10 99 - 10 - HG2 LYS 60 - HE3 LYS 62 OK 10 98 - 10 - HG2 LYS 39 - HE3 LYS 49 lone 5 99 - 5 - HG2 LYS 39 - HE2 LYS 49 lone 5 99 - 5 - HG2 LYS 39 - HE2 LYS 62 lone 3 100 - 3 - HG2 LYS 39 - HE3 LYS 62 lone 3 100 - 3 - HG2 LYS 39 - HE3 LYS 60 lone 3 100 - 3 - HG2 LYS 39 - HE2 LYS 60 lone 3 100 - 3 - HB3 LEU 41 - HE3 LYS 39 lone 2 69 - 3 - 1989/6.1=1 HB3 LEU 41 - HE2 LYS 39 lone 2 69 - 3 - 1989/6.1=1 HG3 LYS 62 - HE2 LYS 49 lone 2 99 - 2 - HG3 LYS 62 - HE3 LYS 49 lone 2 99 - 2 - HG2 LYS 62 - HE3 LYS 49 lone 2 99 - 2 - HG2 LYS 62 - HE2 LYS 49 lone 2 99 - 2 - HB3 LEU 29 - HE3 LYS 49 lone 2 60 - 3 - HB3 LEU 29 - HE2 LYS 49 lone 2 60 - 3 - HB3 LEU 41 - HE3 LYS 49 lone 2 98 - 2 - HB3 LEU 41 - HE2 LYS 49 lone 2 98 - 2 - HB2 LYS 27 - HE2 LYS 49 lone 2 89 - 2 - HB2 LYS 27 - HE3 LYS 49 lone 2 89 - 2 - HG3 LYS 60 - HE3 LYS 49 lone 2 98 - 1 - HG3 LYS 60 - HE2 LYS 49 lone 2 98 - 1 - HG2 LYS 60 - HE2 LYS 49 lone 1 97 - 1 - HG2 LYS 60 - HE3 LYS 49 lone 1 97 - 1 - HG3 LYS 58 - HE3 LYS 39 lone 1 50 - 3 - HG3 LYS 58 - HE2 LYS 39 lone 1 50 - 3 - HG2 LYS 62 - HE2 LYS 39 lone 1 70 - 2 - HG2 LYS 62 - HE3 LYS 39 lone 1 70 - 2 - HG3 LYS 62 - HE3 LYS 39 lone 1 70 - 2 - HG3 LYS 62 - HE2 LYS 39 lone 1 70 - 2 - HG3 LYS 60 - HE3 LYS 39 lone 1 69 - 2 - HG3 LYS 60 - HE2 LYS 39 lone 1 69 - 2 - HG2 LYS 60 - HE3 LYS 39 lone 1 68 - 2 - HG2 LYS 60 - HE2 LYS 39 lone 1 68 - 2 - HB3 LEU 41 - HE2 LYS 62 lone 1 99 - 1 - HB3 LEU 41 - HE3 LYS 60 lone 1 99 - 1 - HB3 LEU 41 - HE2 LYS 60 lone 1 99 - 1 - HB3 LEU 41 - HE3 LYS 62 lone 1 99 - 1 - HG3 LYS 58 - HE2 LYS 62 lone 1 81 - 1 - HG3 LYS 58 - HE3 LYS 62 lone 1 80 - 1 - HG3 LYS 58 - HE3 LYS 60 lone 1 80 - 1 - HG3 LYS 58 - HE2 LYS 60 lone 1 79 - 1 - HB2 LYS 27 - HE3 LYS 60 lone 1 91 - 1 - HB2 LYS 27 - HE2 LYS 60 lone 1 91 - 1 - HB2 LYS 27 - HE2 LYS 62 lone 1 92 - 1 - HB2 LYS 27 - HE3 LYS 39 lone 1 59 - 1 - HB2 LYS 27 - HE2 LYS 39 lone 1 59 - 1 - HB2 LYS 27 - HE3 LYS 62 lone 1 91 - 1 - HG3 LYS 58 - HE3 LYS 49 lone 1 78 - 1 - HG3 LYS 58 - HE2 LYS 49 lone 1 78 - 1 - HG3 ARG 56 - HE2 LYS 62 lone 1 83 - 1 - HG3 ARG 56 - HE3 LYS 62 lone 1 82 - 1 - HG3 ARG 56 - HE3 LYS 60 lone 1 82 - 1 - HG3 ARG 56 - HE2 LYS 60 lone 1 82 - 1 - HG3 ARG 56 - HE3 LYS 39 lone 1 51 - 1 - HG3 ARG 56 - HE2 LYS 39 lone 1 51 - 1 - HG3 ARG 56 - HE3 LYS 49 lone 0 80 - 1 - HG3 ARG 56 - HE2 LYS 49 lone 0 80 - 1 - HB3 LEU 29 - HE2 LYS 62 lone 0 63 - 1 - HB3 LEU 29 - HE3 LYS 62 lone 0 62 - 1 - HB3 LEU 29 - HE3 LYS 60 lone 0 62 - 1 - HB3 LEU 29 - HE2 LYS 60 lone 0 62 - 1 - HB3 LEU 29 - HE2 LYS 39 lone 0 37 - 1 - HB3 LEU 29 - HE3 LYS 39 lone 0 37 - 1 - Peak 3147 from cnoeabs.peaks (1.67, 2.98, 42.11 ppm; 2.93 A): 8 out of 88 assignments used, quality = 1.00: * HD2 LYS 62 + HE2 LYS 62 OK 98 100 - 98 - 3.0=96, 3140/1.8=4...(22) HD3 LYS 62 + HE2 LYS 62 OK 98 100 - 98 - 3.0=96, 3140/1.8=4...(22) HD2 LYS 62 + HE3 LYS 62 OK 98 100 - 98 - 3.0=96, 3140/1.8=4...(22) HD3 LYS 62 + HE3 LYS 62 OK 98 100 - 98 - 3.0=96, 3140/1.8=4...(22) HD3 LYS 60 + HE3 LYS 60 OK 97 100 - 97 - 3.0=95, 3140/1.8=4...(12) HD3 LYS 60 + HE2 LYS 60 OK 96 100 - 97 - 3.0=95, 3140/1.8=4...(12) HD2 LYS 60 + HE3 LYS 60 OK 96 100 - 97 - 3.0=95, 3130/1.8=4...(12) HD2 LYS 60 + HE2 LYS 60 OK 96 100 - 97 - 3.0=95, 3130/1.8=4...(12) HD2 LYS 39 - HE3 LYS 39 OK 42 44 - 96 - 3.0=94, 2040/3.6=5...(7) HD2 LYS 39 - HE2 LYS 39 OK 42 44 - 96 - 3.0=94, 2040/3.6=5...(7) HD3 LYS 39 - HE3 LYS 39 OK 42 44 - 96 - 3.0=94, 2040/3.6=5...(7) HD3 LYS 39 - HE2 LYS 39 OK 42 44 - 96 - 3.0=94, 2040/3.6=5...(7) HD2 LYS 62 - HE3 LYS 60 lone 9 100 - 9 - HD2 LYS 62 - HE2 LYS 60 lone 9 100 - 9 - HD3 LYS 62 - HE3 LYS 60 lone 9 100 - 9 - HD3 LYS 62 - HE2 LYS 60 lone 9 100 - 9 - HG13 ILE 50 - HE3 LYS 49 lone 7 75 - 10 - 2.1/4604=4, ~4604=3 HG13 ILE 50 - HE2 LYS 49 lone 7 75 - 10 - 2.1/4604=4, ~4604=3 HD3 LYS 60 - HE2 LYS 62 lone 6 100 - 6 - HD2 LYS 60 - HE2 LYS 62 lone 6 100 - 6 - HD3 LYS 60 - HE3 LYS 62 lone 6 100 - 6 - HD2 LYS 60 - HE3 LYS 62 lone 6 100 - 6 - HB2 LEU 37 - HE3 LYS 49 lone 3 98 - 3 - HB2 LEU 37 - HE2 LYS 49 lone 3 98 - 3 - HB2 LEU 37 - HE2 LYS 39 lone 3 69 - 4 - HB2 LEU 37 - HE3 LYS 39 lone 3 69 - 4 - HD2 LYS 39 - HE3 LYS 49 lone 2 71 - 3 - HD2 LYS 39 - HE2 LYS 49 lone 2 71 - 3 - HD3 LYS 39 - HE2 LYS 49 lone 2 71 - 3 - HD3 LYS 39 - HE3 LYS 49 lone 2 71 - 3 - HD3 LYS 62 - HE2 LYS 49 lone 2 99 - 2 - HD3 LYS 62 - HE3 LYS 49 lone 2 99 - 2 - HD2 LYS 62 - HE2 LYS 49 lone 2 99 - 2 - HD2 LYS 62 - HE3 LYS 49 lone 2 99 - 2 - HD3 LYS 39 - HE2 LYS 62 lone 1 73 - 2 - HD2 LYS 39 - HE2 LYS 62 lone 1 73 - 2 - HB2 LEU 37 - HE2 LYS 62 lone 1 99 - 1 - HD3 LYS 39 - HE3 LYS 62 lone 1 72 - 2 - HD2 LYS 39 - HE3 LYS 62 lone 1 72 - 2 - HB2 LEU 37 - HE3 LYS 62 lone 1 99 - 1 - HD3 LYS 39 - HE3 LYS 60 lone 1 72 - 2 - HD2 LYS 39 - HE3 LYS 60 lone 1 72 - 2 - HD2 LYS 39 - HE2 LYS 60 lone 1 72 - 2 - HD3 LYS 39 - HE2 LYS 60 lone 1 72 - 2 - HG13 ILE 50 - HE2 LYS 62 lone 1 78 - 2 - HD3 LYS 60 - HE2 LYS 49 lone 1 99 - 1 - HD3 LYS 60 - HE3 LYS 49 lone 1 99 - 1 - HB2 LEU 37 - HE3 LYS 60 lone 1 99 - 1 - HG13 ILE 50 - HE3 LYS 62 lone 1 77 - 2 - HB2 LEU 37 - HE2 LYS 60 lone 1 99 - 1 - HD2 LYS 60 - HE3 LYS 49 lone 1 99 - 1 - HD2 LYS 60 - HE2 LYS 49 lone 1 99 - 1 - HG13 ILE 50 - HE3 LYS 60 lone 1 77 - 2 - HG13 ILE 50 - HE2 LYS 60 lone 1 77 - 2 - HG13 ILE 50 - HE2 LYS 39 lone 1 48 - 2 - HG13 ILE 50 - HE3 LYS 39 lone 1 48 - 2 - HD2 LYS 62 - HE3 LYS 39 lone 1 70 - 2 - HD2 LYS 62 - HE2 LYS 39 lone 1 70 - 2 - HD3 LYS 62 - HE2 LYS 39 lone 1 70 - 2 - HD3 LYS 62 - HE3 LYS 39 lone 1 70 - 2 - HD3 LYS 42 - HE2 LYS 49 lone 1 95 - 1 - HD3 LYS 42 - HE3 LYS 49 lone 1 95 - 1 - HD2 LYS 60 - HE2 LYS 39 lone 1 70 - 1 - HD2 LYS 60 - HE3 LYS 39 lone 1 70 - 1 - HD3 LYS 60 - HE3 LYS 39 lone 1 70 - 1 - HD3 LYS 60 - HE2 LYS 39 lone 1 70 - 1 - HG3 LYS 22 - HE3 LYS 49 lone 1 97 - 1 - HG3 LYS 22 - HE2 LYS 49 lone 1 97 - 1 - HG3 LYS 22 - HE2 LYS 62 lone 1 99 - 1 - HG3 LYS 22 - HE3 LYS 62 lone 1 98 - 1 - HD3 LYS 42 - HE2 LYS 62 lone 1 97 - 1 - HD3 LYS 42 - HE3 LYS 62 lone 1 97 - 1 - HG3 LYS 22 - HE2 LYS 60 lone 1 98 - 1 - HG3 LYS 22 - HE3 LYS 60 lone 1 98 - 1 - HG3 LYS 22 - HE2 LYS 39 lone 1 67 - 1 - HG3 LYS 22 - HE3 LYS 39 lone 1 67 - 1 - HD3 LYS 42 - HE2 LYS 60 lone 1 97 - 1 - HD3 LYS 42 - HE3 LYS 60 lone 1 97 - 1 - HB2 LEU 64 - HE2 LYS 62 lone 0 98 - 0 - HB2 LEU 64 - HE3 LYS 62 lone 0 97 - 0 - HB2 LEU 64 - HE3 LYS 60 lone 0 97 - 0 - HB2 LEU 64 - HE2 LYS 60 lone 0 97 - 0 - HB2 LEU 64 - HE3 LYS 49 lone 0 96 - 0 - HB2 LEU 64 - HE2 LYS 49 lone 0 96 - 0 - HD3 LYS 42 - HE2 LYS 39 lone 0 65 - 1 - HD3 LYS 42 - HE3 LYS 39 lone 0 65 - 1 - HB2 LEU 64 - HE2 LYS 39 lone 0 66 - 0 - HB2 LEU 64 - HE3 LYS 39 lone 0 66 - 0 - Peak 3148 from cnoeabs.peaks (1.67, 2.98, 42.11 ppm; 2.93 A): 8 out of 88 assignments used, quality = 1.00: * HD3 LYS 62 + HE2 LYS 62 OK 98 100 - 98 - 3.0=96, 3140/1.8=4...(22) HD2 LYS 62 + HE2 LYS 62 OK 98 100 - 98 - 3.0=96, 3140/1.8=4...(22) HD3 LYS 62 + HE3 LYS 62 OK 98 100 - 98 - 3.0=96, 3140/1.8=4...(22) HD2 LYS 62 + HE3 LYS 62 OK 98 100 - 98 - 3.0=96, 3140/1.8=4...(22) HD3 LYS 60 + HE3 LYS 60 OK 97 100 - 97 - 3.0=95, 3140/1.8=4...(12) HD3 LYS 60 + HE2 LYS 60 OK 96 100 - 97 - 3.0=95, 3140/1.8=4...(12) HD2 LYS 60 + HE3 LYS 60 OK 96 100 - 97 - 3.0=95, 3130/1.8=4...(12) HD2 LYS 60 + HE2 LYS 60 OK 96 100 - 97 - 3.0=95, 3130/1.8=4...(12) HD2 LYS 39 - HE2 LYS 39 OK 41 42 - 96 - 3.0=94, 2050/3.6=5...(7) HD2 LYS 39 - HE3 LYS 39 OK 41 42 - 96 - 3.0=94, 2050/3.6=5...(7) HD3 LYS 39 - HE3 LYS 39 OK 41 42 - 96 - 3.0=94, 2050/3.6=5...(7) HD3 LYS 39 - HE2 LYS 39 OK 41 42 - 96 - 3.0=94, 2050/3.6=5...(7) HD3 LYS 62 - HE3 LYS 60 lone 9 100 - 9 - HD3 LYS 62 - HE2 LYS 60 lone 9 100 - 9 - HD2 LYS 62 - HE3 LYS 60 lone 9 100 - 9 - HD2 LYS 62 - HE2 LYS 60 lone 9 100 - 9 - HG13 ILE 50 - HE3 LYS 49 lone 6 73 - 9 - 2.1/4604=4, ~4604=3 HG13 ILE 50 - HE2 LYS 49 lone 6 73 - 9 - 2.1/4604=4, ~4604=3 HD3 LYS 60 - HE2 LYS 62 lone 6 100 - 6 - HD2 LYS 60 - HE2 LYS 62 lone 6 100 - 6 - HD3 LYS 60 - HE3 LYS 62 lone 6 100 - 6 - HD2 LYS 60 - HE3 LYS 62 lone 6 100 - 6 - HB2 LEU 37 - HE3 LYS 49 lone 3 98 - 3 - HB2 LEU 37 - HE2 LYS 49 lone 3 98 - 3 - HB2 LEU 37 - HE2 LYS 39 lone 3 69 - 4 - HB2 LEU 37 - HE3 LYS 39 lone 3 69 - 4 - HD2 LYS 39 - HE2 LYS 49 lone 2 68 - 3 - HD2 LYS 39 - HE3 LYS 49 lone 2 68 - 3 - HD3 LYS 39 - HE2 LYS 49 lone 2 68 - 3 - HD3 LYS 39 - HE3 LYS 49 lone 2 68 - 3 - HD3 LYS 62 - HE2 LYS 49 lone 2 99 - 2 - HD3 LYS 62 - HE3 LYS 49 lone 2 99 - 2 - HD2 LYS 62 - HE2 LYS 49 lone 2 99 - 2 - HD2 LYS 62 - HE3 LYS 49 lone 2 99 - 2 - HB2 LEU 37 - HE2 LYS 62 lone 1 100 - 1 - HB2 LEU 37 - HE3 LYS 62 lone 1 99 - 1 - HB2 LEU 37 - HE3 LYS 60 lone 1 99 - 1 - HD2 LYS 39 - HE2 LYS 62 lone 1 71 - 2 - HD3 LYS 39 - HE2 LYS 62 lone 1 71 - 2 - HB2 LEU 37 - HE2 LYS 60 lone 1 99 - 1 - HD3 LYS 60 - HE3 LYS 49 lone 1 99 - 1 - HD3 LYS 60 - HE2 LYS 49 lone 1 99 - 1 - HD2 LYS 60 - HE3 LYS 49 lone 1 99 - 1 - HD2 LYS 60 - HE2 LYS 49 lone 1 99 - 1 - HD2 LYS 39 - HE3 LYS 62 lone 1 70 - 2 - HD3 LYS 39 - HE3 LYS 62 lone 1 70 - 2 - HG13 ILE 50 - HE2 LYS 62 lone 1 76 - 2 - HD2 LYS 39 - HE3 LYS 60 lone 1 70 - 2 - HD3 LYS 39 - HE3 LYS 60 lone 1 70 - 2 - HD2 LYS 39 - HE2 LYS 60 lone 1 70 - 2 - HD3 LYS 39 - HE2 LYS 60 lone 1 70 - 2 - HG13 ILE 50 - HE3 LYS 62 lone 1 75 - 2 - HG13 ILE 50 - HE3 LYS 60 lone 1 75 - 2 - HG13 ILE 50 - HE2 LYS 60 lone 1 75 - 2 - HD2 LYS 62 - HE3 LYS 39 lone 1 70 - 2 - HD2 LYS 62 - HE2 LYS 39 lone 1 70 - 2 - HG13 ILE 50 - HE2 LYS 39 lone 1 46 - 2 - HG13 ILE 50 - HE3 LYS 39 lone 1 46 - 2 - HD3 LYS 62 - HE3 LYS 39 lone 1 70 - 2 - HD3 LYS 62 - HE2 LYS 39 lone 1 70 - 2 - HD3 LYS 42 - HE3 LYS 49 lone 1 96 - 1 - HD3 LYS 42 - HE2 LYS 49 lone 1 96 - 1 - HD2 LYS 60 - HE2 LYS 39 lone 1 70 - 1 - HD2 LYS 60 - HE3 LYS 39 lone 1 70 - 1 - HD3 LYS 60 - HE2 LYS 39 lone 1 70 - 1 - HD3 LYS 60 - HE3 LYS 39 lone 1 70 - 1 - HG3 LYS 22 - HE2 LYS 49 lone 1 96 - 1 - HG3 LYS 22 - HE3 LYS 49 lone 1 96 - 1 - HG3 LYS 22 - HE2 LYS 62 lone 1 98 - 1 - HG3 LYS 22 - HE3 LYS 62 lone 1 97 - 1 - HD3 LYS 42 - HE2 LYS 62 lone 1 98 - 1 - HD3 LYS 42 - HE3 LYS 62 lone 1 97 - 1 - HG3 LYS 22 - HE2 LYS 60 lone 1 97 - 1 - HG3 LYS 22 - HE3 LYS 60 lone 1 97 - 1 - HD3 LYS 42 - HE2 LYS 60 lone 1 97 - 1 - HD3 LYS 42 - HE3 LYS 60 lone 1 97 - 1 - HG3 LYS 22 - HE2 LYS 39 lone 1 66 - 1 - HG3 LYS 22 - HE3 LYS 39 lone 1 66 - 1 - HB2 LEU 64 - HE2 LYS 62 lone 0 99 - 0 - HB2 LEU 64 - HE3 LYS 62 lone 0 98 - 0 - HB2 LEU 64 - HE3 LYS 60 lone 0 98 - 0 - HB2 LEU 64 - HE2 LYS 60 lone 0 98 - 0 - HB2 LEU 64 - HE3 LYS 49 lone 0 97 - 0 - HB2 LEU 64 - HE2 LYS 49 lone 0 97 - 0 - HD3 LYS 42 - HE3 LYS 39 lone 0 66 - 1 - HD3 LYS 42 - HE2 LYS 39 lone 0 66 - 1 - HB2 LEU 64 - HE3 LYS 39 lone 0 67 - 0 - HB2 LEU 64 - HE2 LYS 39 lone 0 67 - 0 - Peak 3149 from cnoeabs.peaks (2.98, 2.98, 42.11 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: * HE2 LYS 62 + HE2 LYS 62 OK 100 100 - 100 HE3 LYS 60 + HE3 LYS 60 OK 100 100 - 100 HE2 LYS 60 + HE2 LYS 60 OK 100 100 - 100 HE3 LYS 62 + HE3 LYS 62 OK 100 100 - 100 HE2 LYS 49 + HE2 LYS 49 OK 98 98 - 100 HE3 LYS 49 + HE3 LYS 49 OK 98 98 - 100 HE2 LYS 39 + HE2 LYS 39 OK 70 70 - 100 HE3 LYS 39 + HE3 LYS 39 OK 70 70 - 100 Peak 3150 from cnoeabs.peaks (2.99, 2.98, 42.11 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: HE2 LYS 62 + HE2 LYS 62 OK 100 100 - 100 HE3 LYS 62 + HE3 LYS 62 OK 100 100 - 100 HE3 LYS 60 + HE3 LYS 60 OK 100 100 - 100 HE2 LYS 60 + HE2 LYS 60 OK 99 99 - 100 HE2 LYS 49 + HE2 LYS 49 OK 97 97 - 100 HE3 LYS 49 + HE3 LYS 49 OK 97 97 - 100 HE2 LYS 39 + HE2 LYS 39 OK 69 69 - 100 HE3 LYS 39 + HE3 LYS 39 OK 69 69 - 100 Reference assignment not found: HE3 LYS 62 - HE2 LYS 62 Peak 3153 from cnoeabs.peaks (1.83, 2.99, 42.11 ppm; 3.95 A): 4 out of 64 assignments used, quality = 1.00: * HB2 LYS 62 + HE3 LYS 62 OK 91 100 - 91 - 4.6=63, 1.8/3154=7...(52) HB2 LYS 62 + HE2 LYS 62 OK 91 100 - 91 - 4.6=63, 1.8/3154=7...(52) HB2 LYS 60 + HE3 LYS 60 OK 83 98 - 85 - 4.9=52, 1.8/3154=7...(43) HB2 LYS 60 + HE2 LYS 60 OK 83 97 - 85 - 4.9=52, 1.8/3154=7...(43) HB2 LYS 62 - HE3 LYS 60 OK 19 99 - 19 - 1.8/3154=1, ~2998=1...(5) HB2 LYS 62 - HE2 LYS 60 OK 19 99 - 19 - 1.8/3154=1, ~2998=1...(5) HB2 LYS 60 - HE3 LYS 62 OK 18 99 - 18 - 1.8/3154=1, ~2998=1...(5) HB2 LYS 60 - HE2 LYS 62 OK 18 98 - 18 - 1.8/3154=1, ~3154=1...(5) HB2 ARG 61 - HE3 LYS 62 lone 5 89 - 6 - 327/7.4=3 HB2 ARG 61 - HE2 LYS 62 lone 5 88 - 6 - 327/7.4=3 HB2 LYS 62 - HE2 LYS 49 lone 3 96 - 3 - HB2 LYS 62 - HE3 LYS 49 lone 3 96 - 3 - HD2 LYS 22 - HE2 LYS 49 lone 2 93 - 2 - HD2 LYS 22 - HE3 LYS 49 lone 2 93 - 2 - HB2 LYS 60 - HE3 LYS 49 lone 2 94 - 2 - HB2 LYS 60 - HE2 LYS 49 lone 2 94 - 2 - HB3 GLN 47 - HE2 LYS 49 lone 2 96 - 2 - HB3 GLN 47 - HE3 LYS 49 lone 2 96 - 2 - HB2 LYS 62 - HE3 LYS 39 lone 2 68 - 2 - HB2 LYS 62 - HE2 LYS 39 lone 2 68 - 2 - HD2 LYS 22 - HE3 LYS 62 lone 1 98 - 1 - HD2 LYS 22 - HE2 LYS 62 lone 1 97 - 1 - HB2 ARG 61 - HE3 LYS 60 lone 1 87 - 2 - HB2 LYS 60 - HE3 LYS 39 lone 1 65 - 2 - HB2 LYS 60 - HE2 LYS 39 lone 1 65 - 2 - HB2 ARG 61 - HE2 LYS 60 lone 1 86 - 2 - HB3 GLN 47 - HE3 LYS 39 lone 1 68 - 2 - HB3 GLN 47 - HE2 LYS 39 lone 1 68 - 2 - HB2 ARG 61 - HE2 LYS 49 lone 1 82 - 2 - HB2 ARG 61 - HE3 LYS 49 lone 1 82 - 2 - HD2 LYS 22 - HE3 LYS 60 lone 1 97 - 1 - HD2 LYS 22 - HE2 LYS 60 lone 1 96 - 1 - HB3 GLN 47 - HE2 LYS 62 lone 1 100 - 1 - HB3 GLN 47 - HE3 LYS 62 lone 1 100 - 1 - HB3 GLN 47 - HE3 LYS 60 lone 1 99 - 1 - HB3 GLN 47 - HE2 LYS 60 lone 1 99 - 1 - HB ILE 17 - HE3 LYS 62 lone 1 97 - 1 - HB2 LYS 58 - HE3 LYS 62 lone 1 68 - 2 - HB ILE 17 - HE2 LYS 62 lone 1 97 - 1 - HB2 LYS 58 - HE2 LYS 62 lone 1 67 - 2 - HB ILE 17 - HE3 LYS 60 lone 1 96 - 1 - HB ILE 17 - HE2 LYS 60 lone 1 95 - 1 - HB ILE 17 - HE3 LYS 49 lone 1 92 - 1 - HB ILE 17 - HE2 LYS 49 lone 1 92 - 1 - HB2 LYS 58 - HE3 LYS 39 lone 1 39 - 3 - HB2 LYS 58 - HE2 LYS 39 lone 1 39 - 3 - HB3 MET 11 - HE3 LYS 62 lone 1 99 - 1 - HB3 MET 11 - HE2 LYS 62 lone 1 98 - 1 - HD2 LYS 22 - HE3 LYS 39 lone 1 64 - 2 - HD2 LYS 22 - HE2 LYS 39 lone 1 64 - 2 - HB3 MET 11 - HE3 LYS 60 lone 1 98 - 1 - HB3 MET 11 - HE2 LYS 60 lone 1 97 - 1 - HB3 MET 11 - HE2 LYS 49 lone 1 94 - 1 - HB3 MET 11 - HE3 LYS 49 lone 1 94 - 1 - HB2 LYS 58 - HE3 LYS 60 lone 1 66 - 1 - HB2 LYS 58 - HE2 LYS 60 lone 1 65 - 1 - HB2 LYS 58 - HE3 LYS 49 lone 1 62 - 1 - HB2 LYS 58 - HE2 LYS 49 lone 1 62 - 1 - HB ILE 17 - HE3 LYS 39 lone 1 63 - 1 - HB ILE 17 - HE2 LYS 39 lone 1 63 - 1 - HB3 MET 11 - HE3 LYS 39 lone 1 65 - 1 - HB3 MET 11 - HE2 LYS 39 lone 1 65 - 1 - HB2 ARG 61 - HE2 LYS 39 lone 1 54 - 1 - HB2 ARG 61 - HE3 LYS 39 lone 1 54 - 1 - Peak 3154 from cnoeabs.peaks (1.77, 2.99, 42.11 ppm; 4.06 A): 4 out of 32 assignments used, quality = 1.00: * HB3 LYS 62 + HE3 LYS 62 OK 92 100 - 92 - 4.6=68, 3134/3.0=10...(47) HB3 LYS 62 + HE2 LYS 62 OK 92 100 - 92 - 4.6=68, 3134/3.0=10...(47) HB3 LYS 60 + HE3 LYS 60 OK 84 99 - 85 - 4.9=56, 3134/3.0=9...(38) HB3 LYS 60 + HE2 LYS 60 OK 84 99 - 85 - 4.9=56, 3134/3.0=9...(38) HB3 LYS 62 - HE3 LYS 60 OK 19 99 - 19 - 1.8/3153=1, 3134/3.0=1...(7) HB3 LYS 62 - HE2 LYS 60 OK 18 99 - 19 - 1.8/3153=1, 3134/3.0=1...(7) HB3 LYS 60 - HE3 LYS 62 OK 18 100 - 18 - 1.8/3153=1, 819/7.4=1...(4) HB3 LYS 60 - HE2 LYS 62 OK 18 100 - 18 - 1.8/3153=1, 819/7.4=1...(5) HB3 LYS 62 - HE2 LYS 49 lone 3 96 - 3 - HB3 LYS 62 - HE3 LYS 49 lone 3 96 - 3 - HB3 LYS 60 - HE3 LYS 49 lone 2 96 - 2 - HB3 LYS 60 - HE2 LYS 49 lone 2 96 - 2 - HB3 LYS 62 - HE3 LYS 39 lone 2 68 - 3 - HB3 LYS 62 - HE2 LYS 39 lone 2 68 - 3 - HB3 LYS 60 - HE2 LYS 39 lone 2 68 - 2 - HB3 LYS 60 - HE3 LYS 39 lone 2 68 - 2 - HB2 LYS 58 - HE3 LYS 62 lone 1 65 - 2 - HB2 LYS 58 - HE2 LYS 62 lone 1 64 - 2 - HB2 PRO 32 - HE3 LYS 49 lone 1 74 - 2 - HB2 PRO 32 - HE2 LYS 49 lone 1 74 - 2 - HB2 LYS 58 - HE3 LYS 39 lone 1 37 - 3 - HB2 LYS 58 - HE2 LYS 39 lone 1 37 - 3 - HB2 LYS 58 - HE3 LYS 60 lone 1 64 - 2 - HB2 LYS 58 - HE2 LYS 60 lone 1 63 - 2 - HB2 PRO 32 - HE3 LYS 62 lone 1 81 - 1 - HB2 PRO 32 - HE2 LYS 62 lone 1 80 - 1 - HB2 PRO 32 - HE3 LYS 60 lone 1 79 - 1 - HB2 PRO 32 - HE2 LYS 60 lone 1 78 - 1 - HB2 LYS 58 - HE2 LYS 49 lone 1 59 - 1 - HB2 LYS 58 - HE3 LYS 49 lone 1 59 - 1 - HB2 PRO 32 - HE2 LYS 39 lone 0 48 - 1 - HB2 PRO 32 - HE3 LYS 39 lone 0 48 - 1 - Peak 3155 from cnoeabs.peaks (1.43, 2.99, 42.11 ppm; 3.24 A): 10 out of 80 assignments used, quality = 1.00: * HG2 LYS 62 + HE3 LYS 62 OK 83 100 - 83 - 3.7=65, 2.9/3154=4...(40) HG3 LYS 62 + HE3 LYS 62 OK 83 100 - 83 - 3.7=65, 2.9/3154=4...(40) HG3 LYS 62 + HE2 LYS 62 OK 83 100 - 83 - 3.7=65, 2.9/3154=4...(40) HG2 LYS 62 + HE2 LYS 62 OK 83 100 - 83 - 3.7=65, 2.9/3154=4...(40) HG3 LYS 60 + HE3 LYS 60 OK 77 98 - 79 - 3.9=56, 3.0/3154=3...(40) HG2 LYS 60 + HE3 LYS 60 OK 77 98 - 79 - 3.9=56, 3.0/3154=3...(40) HG3 LYS 60 + HE2 LYS 60 OK 77 98 - 79 - 3.9=56, 3.0/3154=3...(40) HG2 LYS 60 + HE2 LYS 60 OK 76 97 - 79 - 3.9=56, 3.0/3154=3...(40) HG2 LYS 39 + HE3 LYS 39 OK 58 68 - 85 - 3.6=72, ~2032=6, ~2031=6...(26) HG2 LYS 39 + HE2 LYS 39 OK 58 68 - 85 - 3.6=72, ~2032=6, ~2031=6...(26) HG3 LYS 62 - HE3 LYS 60 OK 11 99 - 11 - HG2 LYS 62 - HE3 LYS 60 OK 11 99 - 11 - HG3 LYS 62 - HE2 LYS 60 OK 11 99 - 11 - HG2 LYS 62 - HE2 LYS 60 OK 11 99 - 11 - HG3 LYS 60 - HE3 LYS 62 OK 10 99 - 10 - HG2 LYS 60 - HE3 LYS 62 OK 10 99 - 10 - HG3 LYS 60 - HE2 LYS 62 OK 10 99 - 10 - HG2 LYS 60 - HE2 LYS 62 OK 10 98 - 10 - HG2 LYS 39 - HE3 LYS 49 lone 5 96 - 5 - HG2 LYS 39 - HE2 LYS 49 lone 5 96 - 5 - HG2 LYS 39 - HE3 LYS 62 lone 3 100 - 3 - HG2 LYS 39 - HE2 LYS 62 lone 3 100 - 3 - HG2 LYS 39 - HE3 LYS 60 lone 3 99 - 3 - HG2 LYS 39 - HE2 LYS 60 lone 3 99 - 3 - HB3 LEU 41 - HE3 LYS 39 lone 2 66 - 3 - 1989/6.1=1 HB3 LEU 41 - HE2 LYS 39 lone 2 66 - 3 - 1989/6.1=1 HG3 LYS 62 - HE2 LYS 49 lone 2 96 - 2 - HG3 LYS 62 - HE3 LYS 49 lone 2 96 - 2 - HG2 LYS 62 - HE3 LYS 49 lone 2 96 - 2 - HG2 LYS 62 - HE2 LYS 49 lone 2 96 - 2 - HB3 LEU 29 - HE2 LYS 49 lone 2 57 - 3 - HB3 LEU 29 - HE3 LYS 49 lone 2 57 - 3 - HB3 LEU 41 - HE2 LYS 49 lone 2 95 - 2 - HB3 LEU 41 - HE3 LYS 49 lone 2 95 - 2 - HB2 LYS 27 - HE2 LYS 49 lone 2 85 - 2 - HB2 LYS 27 - HE3 LYS 49 lone 2 85 - 2 - HG3 LYS 60 - HE2 LYS 49 lone 1 95 - 1 - HG3 LYS 60 - HE3 LYS 49 lone 1 95 - 1 - HG2 LYS 60 - HE2 LYS 49 lone 1 94 - 1 - HG2 LYS 60 - HE3 LYS 49 lone 1 94 - 1 - HG3 LYS 58 - HE3 LYS 39 lone 1 48 - 3 - HG3 LYS 58 - HE2 LYS 39 lone 1 48 - 3 - HG2 LYS 62 - HE2 LYS 39 lone 1 68 - 2 - HG2 LYS 62 - HE3 LYS 39 lone 1 68 - 2 - HG3 LYS 62 - HE3 LYS 39 lone 1 68 - 2 - HG3 LYS 62 - HE2 LYS 39 lone 1 68 - 2 - HG3 LYS 60 - HE2 LYS 39 lone 1 66 - 2 - HG3 LYS 60 - HE3 LYS 39 lone 1 66 - 2 - HG2 LYS 60 - HE3 LYS 39 lone 1 65 - 2 - HG2 LYS 60 - HE2 LYS 39 lone 1 65 - 2 - HB3 LEU 41 - HE3 LYS 62 lone 1 99 - 1 - HB3 LEU 41 - HE2 LYS 62 lone 1 99 - 1 - HB3 LEU 41 - HE3 LYS 60 lone 1 98 - 1 - HB3 LEU 41 - HE2 LYS 60 lone 1 98 - 1 - HG3 LYS 58 - HE3 LYS 62 lone 1 81 - 1 - HG3 LYS 58 - HE2 LYS 62 lone 1 80 - 1 - HG3 LYS 58 - HE3 LYS 60 lone 1 79 - 1 - HG3 LYS 58 - HE2 LYS 60 lone 1 78 - 1 - HB2 LYS 27 - HE3 LYS 62 lone 1 92 - 1 - HB2 LYS 27 - HE3 LYS 60 lone 1 90 - 1 - HB2 LYS 27 - HE2 LYS 62 lone 1 91 - 1 - HB2 LYS 27 - HE2 LYS 60 lone 1 89 - 1 - HB2 LYS 27 - HE3 LYS 39 lone 1 57 - 1 - HB2 LYS 27 - HE2 LYS 39 lone 1 57 - 1 - HG3 LYS 58 - HE3 LYS 49 lone 1 74 - 1 - HG3 LYS 58 - HE2 LYS 49 lone 1 74 - 1 - HG3 ARG 56 - HE3 LYS 62 lone 1 83 - 1 - HG3 ARG 56 - HE2 LYS 62 lone 1 82 - 1 - HG3 ARG 56 - HE3 LYS 60 lone 1 81 - 1 - HG3 ARG 56 - HE2 LYS 60 lone 1 80 - 1 - HG3 ARG 56 - HE3 LYS 39 lone 0 49 - 1 - HG3 ARG 56 - HE2 LYS 39 lone 0 49 - 1 - HG3 ARG 56 - HE3 LYS 49 lone 0 76 - 1 - HG3 ARG 56 - HE2 LYS 49 lone 0 76 - 1 - HB3 LEU 29 - HE3 LYS 62 lone 0 63 - 1 - HB3 LEU 29 - HE2 LYS 62 lone 0 62 - 1 - HB3 LEU 29 - HE3 LYS 60 lone 0 61 - 1 - HB3 LEU 29 - HE2 LYS 60 lone 0 60 - 1 - HB3 LEU 29 - HE2 LYS 39 lone 0 35 - 1 - HB3 LEU 29 - HE3 LYS 39 lone 0 35 - 1 - Peak 3156 from cnoeabs.peaks (1.43, 2.99, 42.11 ppm; 3.24 A): 10 out of 80 assignments used, quality = 1.00: HG2 LYS 62 + HE3 LYS 62 OK 83 100 - 83 - 3.7=65, 2.9/3154=4...(40) * HG3 LYS 62 + HE3 LYS 62 OK 83 100 - 83 - 3.7=65, 2.9/3154=4...(40) HG3 LYS 62 + HE2 LYS 62 OK 83 100 - 83 - 3.7=65, 2.9/3154=4...(40) HG2 LYS 62 + HE2 LYS 62 OK 83 100 - 83 - 3.7=65, 2.9/3154=4...(40) HG3 LYS 60 + HE3 LYS 60 OK 77 98 - 79 - 3.9=56, 3.0/3154=3...(40) HG2 LYS 60 + HE3 LYS 60 OK 77 98 - 79 - 3.9=56, 3.0/3154=3...(40) HG3 LYS 60 + HE2 LYS 60 OK 77 98 - 79 - 3.9=56, 3.0/3154=3...(40) HG2 LYS 60 + HE2 LYS 60 OK 76 97 - 79 - 3.9=56, 3.0/3154=3...(40) HG2 LYS 39 + HE3 LYS 39 OK 58 68 - 85 - 3.6=72, ~2032=6, ~2031=6...(26) HG2 LYS 39 + HE2 LYS 39 OK 58 68 - 85 - 3.6=72, ~2032=6, ~2031=6...(26) HG3 LYS 62 - HE3 LYS 60 OK 11 99 - 11 - HG2 LYS 62 - HE3 LYS 60 OK 11 99 - 11 - HG3 LYS 62 - HE2 LYS 60 OK 11 99 - 11 - HG2 LYS 62 - HE2 LYS 60 OK 11 99 - 11 - HG3 LYS 60 - HE3 LYS 62 OK 10 99 - 10 - HG2 LYS 60 - HE3 LYS 62 OK 10 99 - 10 - HG3 LYS 60 - HE2 LYS 62 OK 10 99 - 10 - HG2 LYS 60 - HE2 LYS 62 OK 10 98 - 10 - HG2 LYS 39 - HE3 LYS 49 lone 5 96 - 5 - HG2 LYS 39 - HE2 LYS 49 lone 5 96 - 5 - HG2 LYS 39 - HE3 LYS 62 lone 3 100 - 3 - HG2 LYS 39 - HE2 LYS 62 lone 3 100 - 3 - HG2 LYS 39 - HE3 LYS 60 lone 3 99 - 3 - HG2 LYS 39 - HE2 LYS 60 lone 3 99 - 3 - HB3 LEU 41 - HE3 LYS 39 lone 2 66 - 3 - 1989/6.1=1 HB3 LEU 41 - HE2 LYS 39 lone 2 66 - 3 - 1989/6.1=1 HG3 LYS 62 - HE2 LYS 49 lone 2 96 - 2 - HG3 LYS 62 - HE3 LYS 49 lone 2 96 - 2 - HG2 LYS 62 - HE3 LYS 49 lone 2 96 - 2 - HG2 LYS 62 - HE2 LYS 49 lone 2 96 - 2 - HB3 LEU 29 - HE2 LYS 49 lone 2 57 - 3 - HB3 LEU 29 - HE3 LYS 49 lone 2 57 - 3 - HB3 LEU 41 - HE2 LYS 49 lone 2 95 - 2 - HB3 LEU 41 - HE3 LYS 49 lone 2 95 - 2 - HB2 LYS 27 - HE2 LYS 49 lone 2 85 - 2 - HB2 LYS 27 - HE3 LYS 49 lone 2 85 - 2 - HG3 LYS 60 - HE2 LYS 49 lone 1 95 - 1 - HG3 LYS 60 - HE3 LYS 49 lone 1 95 - 1 - HG2 LYS 60 - HE2 LYS 49 lone 1 94 - 1 - HG2 LYS 60 - HE3 LYS 49 lone 1 94 - 1 - HG3 LYS 58 - HE3 LYS 39 lone 1 48 - 3 - HG3 LYS 58 - HE2 LYS 39 lone 1 48 - 3 - HG2 LYS 62 - HE2 LYS 39 lone 1 68 - 2 - HG2 LYS 62 - HE3 LYS 39 lone 1 68 - 2 - HG3 LYS 62 - HE3 LYS 39 lone 1 68 - 2 - HG3 LYS 62 - HE2 LYS 39 lone 1 68 - 2 - HG3 LYS 60 - HE2 LYS 39 lone 1 66 - 2 - HG3 LYS 60 - HE3 LYS 39 lone 1 66 - 2 - HG2 LYS 60 - HE3 LYS 39 lone 1 65 - 2 - HG2 LYS 60 - HE2 LYS 39 lone 1 65 - 2 - HB3 LEU 41 - HE3 LYS 62 lone 1 99 - 1 - HB3 LEU 41 - HE2 LYS 62 lone 1 99 - 1 - HB3 LEU 41 - HE3 LYS 60 lone 1 98 - 1 - HB3 LEU 41 - HE2 LYS 60 lone 1 98 - 1 - HG3 LYS 58 - HE3 LYS 62 lone 1 81 - 1 - HG3 LYS 58 - HE2 LYS 62 lone 1 80 - 1 - HG3 LYS 58 - HE3 LYS 60 lone 1 79 - 1 - HG3 LYS 58 - HE2 LYS 60 lone 1 78 - 1 - HB2 LYS 27 - HE3 LYS 62 lone 1 92 - 1 - HB2 LYS 27 - HE3 LYS 60 lone 1 90 - 1 - HB2 LYS 27 - HE2 LYS 62 lone 1 91 - 1 - HB2 LYS 27 - HE2 LYS 60 lone 1 89 - 1 - HB2 LYS 27 - HE3 LYS 39 lone 1 57 - 1 - HB2 LYS 27 - HE2 LYS 39 lone 1 57 - 1 - HG3 LYS 58 - HE3 LYS 49 lone 1 74 - 1 - HG3 LYS 58 - HE2 LYS 49 lone 1 74 - 1 - HG3 ARG 56 - HE3 LYS 62 lone 1 83 - 1 - HG3 ARG 56 - HE2 LYS 62 lone 1 82 - 1 - HG3 ARG 56 - HE3 LYS 60 lone 1 81 - 1 - HG3 ARG 56 - HE2 LYS 60 lone 1 80 - 1 - HG3 ARG 56 - HE3 LYS 39 lone 0 49 - 1 - HG3 ARG 56 - HE2 LYS 39 lone 0 49 - 1 - HG3 ARG 56 - HE3 LYS 49 lone 0 76 - 1 - HG3 ARG 56 - HE2 LYS 49 lone 0 76 - 1 - HB3 LEU 29 - HE3 LYS 62 lone 0 63 - 1 - HB3 LEU 29 - HE2 LYS 62 lone 0 62 - 1 - HB3 LEU 29 - HE3 LYS 60 lone 0 61 - 1 - HB3 LEU 29 - HE2 LYS 60 lone 0 60 - 1 - HB3 LEU 29 - HE2 LYS 39 lone 0 35 - 1 - HB3 LEU 29 - HE3 LYS 39 lone 0 35 - 1 - Peak 3157 from cnoeabs.peaks (1.67, 2.99, 42.11 ppm; 2.93 A): 8 out of 88 assignments used, quality = 1.00: * HD2 LYS 62 + HE3 LYS 62 OK 98 100 - 98 - 3.0=96, 3140/1.8=4...(22) HD3 LYS 62 + HE3 LYS 62 OK 98 100 - 98 - 3.0=96, 3140/1.8=4...(22) HD2 LYS 62 + HE2 LYS 62 OK 98 100 - 98 - 3.0=96, 3140/1.8=4...(22) HD3 LYS 62 + HE2 LYS 62 OK 98 100 - 98 - 3.0=96, 3140/1.8=4...(22) HD3 LYS 60 + HE3 LYS 60 OK 96 99 - 97 - 3.0=95, 3140/1.8=4...(12) HD2 LYS 60 + HE3 LYS 60 OK 96 99 - 97 - 3.0=95, 1.8/3140=4...(12) HD3 LYS 60 + HE2 LYS 60 OK 96 99 - 97 - 3.0=95, 3140/1.8=4...(12) HD2 LYS 60 + HE2 LYS 60 OK 96 99 - 97 - 3.0=95, 3130/1.8=4...(12) HD2 LYS 39 - HE3 LYS 39 OK 41 42 - 96 - 3.0=94, 2050/3.6=5...(7) HD2 LYS 39 - HE2 LYS 39 OK 41 42 - 96 - 3.0=94, 2050/3.6=5...(7) HD3 LYS 39 - HE3 LYS 39 OK 41 42 - 96 - 3.0=94, 2050/3.6=5...(7) HD3 LYS 39 - HE2 LYS 39 OK 41 42 - 96 - 3.0=94, 2050/3.6=5...(7) HD2 LYS 62 - HE3 LYS 60 lone 9 99 - 9 - HD3 LYS 62 - HE3 LYS 60 lone 9 99 - 9 - HD2 LYS 62 - HE2 LYS 60 lone 9 99 - 9 - HD3 LYS 62 - HE2 LYS 60 lone 9 99 - 9 - HG13 ILE 50 - HE3 LYS 49 lone 7 71 - 10 - 2.1/4604=4, ~4604=3 HG13 ILE 50 - HE2 LYS 49 lone 7 71 - 10 - 2.1/4604=4, ~4604=3 HD3 LYS 60 - HE3 LYS 62 lone 6 100 - 6 - HD2 LYS 60 - HE3 LYS 62 lone 6 100 - 6 - HD3 LYS 60 - HE2 LYS 62 lone 6 100 - 6 - HD2 LYS 60 - HE2 LYS 62 lone 6 100 - 6 - HB2 LEU 37 - HE3 LYS 49 lone 3 95 - 3 - HB2 LEU 37 - HE2 LYS 49 lone 3 95 - 3 - HB2 LEU 37 - HE2 LYS 39 lone 2 66 - 4 - HB2 LEU 37 - HE3 LYS 39 lone 2 66 - 4 - HD2 LYS 39 - HE3 LYS 49 lone 2 67 - 3 - HD2 LYS 39 - HE2 LYS 49 lone 2 67 - 3 - HD3 LYS 39 - HE2 LYS 49 lone 2 67 - 3 - HD3 LYS 39 - HE3 LYS 49 lone 2 67 - 3 - HD3 LYS 62 - HE2 LYS 49 lone 2 96 - 2 - HD3 LYS 62 - HE3 LYS 49 lone 2 96 - 2 - HD2 LYS 62 - HE2 LYS 49 lone 2 96 - 2 - HD2 LYS 62 - HE3 LYS 49 lone 2 96 - 2 - HD2 LYS 39 - HE3 LYS 62 lone 1 73 - 2 - HD3 LYS 39 - HE3 LYS 62 lone 1 73 - 2 - HD2 LYS 39 - HE2 LYS 62 lone 1 72 - 2 - HD3 LYS 39 - HE2 LYS 62 lone 1 72 - 2 - HG13 ILE 50 - HE3 LYS 62 lone 1 78 - 2 - HB2 LEU 37 - HE3 LYS 62 lone 1 99 - 1 - HB2 LEU 37 - HE2 LYS 62 lone 1 99 - 1 - HD3 LYS 39 - HE3 LYS 60 lone 1 71 - 2 - HD2 LYS 39 - HE3 LYS 60 lone 1 71 - 2 - HG13 ILE 50 - HE2 LYS 62 lone 1 77 - 2 - HD2 LYS 39 - HE2 LYS 60 lone 1 71 - 2 - HD3 LYS 39 - HE2 LYS 60 lone 1 71 - 2 - HB2 LEU 37 - HE3 LYS 60 lone 1 98 - 1 - HG13 ILE 50 - HE3 LYS 60 lone 1 76 - 2 - HB2 LEU 37 - HE2 LYS 60 lone 1 98 - 1 - HD3 LYS 60 - HE2 LYS 49 lone 1 96 - 1 - HD3 LYS 60 - HE3 LYS 49 lone 1 96 - 1 - HD2 LYS 60 - HE3 LYS 49 lone 1 96 - 1 - HD2 LYS 60 - HE2 LYS 49 lone 1 96 - 1 - HG13 ILE 50 - HE2 LYS 60 lone 1 75 - 2 - HG13 ILE 50 - HE2 LYS 39 lone 1 46 - 2 - HG13 ILE 50 - HE3 LYS 39 lone 1 46 - 2 - HD2 LYS 62 - HE3 LYS 39 lone 1 68 - 2 - HD2 LYS 62 - HE2 LYS 39 lone 1 68 - 2 - HD3 LYS 62 - HE3 LYS 39 lone 1 68 - 2 - HD3 LYS 62 - HE2 LYS 39 lone 1 68 - 2 - HD3 LYS 42 - HE3 LYS 49 lone 1 92 - 1 - HD3 LYS 42 - HE2 LYS 49 lone 1 92 - 1 - HD2 LYS 60 - HE2 LYS 39 lone 1 68 - 1 - HD2 LYS 60 - HE3 LYS 39 lone 1 68 - 1 - HD3 LYS 60 - HE2 LYS 39 lone 1 68 - 1 - HD3 LYS 60 - HE3 LYS 39 lone 1 68 - 1 - HG3 LYS 22 - HE2 LYS 49 lone 1 93 - 1 - HG3 LYS 22 - HE3 LYS 49 lone 1 93 - 1 - HG3 LYS 22 - HE3 LYS 62 lone 1 99 - 1 - HG3 LYS 22 - HE2 LYS 62 lone 1 98 - 1 - HD3 LYS 42 - HE3 LYS 62 lone 1 97 - 1 - HD3 LYS 42 - HE2 LYS 62 lone 1 97 - 1 - HG3 LYS 22 - HE3 LYS 60 lone 1 97 - 1 - HG3 LYS 22 - HE2 LYS 60 lone 1 97 - 1 - HD3 LYS 42 - HE3 LYS 60 lone 1 96 - 1 - HD3 LYS 42 - HE2 LYS 60 lone 1 95 - 1 - HG3 LYS 22 - HE3 LYS 39 lone 1 65 - 1 - HG3 LYS 22 - HE2 LYS 39 lone 1 65 - 1 - HB2 LEU 64 - HE3 LYS 62 lone 0 98 - 0 - HB2 LEU 64 - HE2 LYS 62 lone 0 97 - 0 - HB2 LEU 64 - HE3 LYS 60 lone 0 97 - 0 - HB2 LEU 64 - HE2 LYS 60 lone 0 96 - 0 - HB2 LEU 64 - HE3 LYS 49 lone 0 93 - 0 - HB2 LEU 64 - HE2 LYS 49 lone 0 93 - 0 - HD3 LYS 42 - HE2 LYS 39 lone 0 63 - 1 - HD3 LYS 42 - HE3 LYS 39 lone 0 63 - 1 - HB2 LEU 64 - HE3 LYS 39 lone 0 64 - 0 - HB2 LEU 64 - HE2 LYS 39 lone 0 64 - 0 - Peak 3158 from cnoeabs.peaks (1.67, 2.99, 42.11 ppm; 2.93 A): 8 out of 88 assignments used, quality = 1.00: * HD3 LYS 62 + HE3 LYS 62 OK 98 100 - 98 - 3.0=96, 3140/1.8=4...(22) HD2 LYS 62 + HE3 LYS 62 OK 98 100 - 98 - 3.0=96, 3140/1.8=4...(22) HD3 LYS 62 + HE2 LYS 62 OK 98 100 - 98 - 3.0=96, 3140/1.8=4...(22) HD2 LYS 62 + HE2 LYS 62 OK 98 100 - 98 - 3.0=96, 3140/1.8=4...(22) HD3 LYS 60 + HE3 LYS 60 OK 96 99 - 97 - 3.0=95, 3140/1.8=4...(12) HD2 LYS 60 + HE3 LYS 60 OK 96 99 - 97 - 3.0=95, 1.8/3140=4...(12) HD3 LYS 60 + HE2 LYS 60 OK 96 99 - 97 - 3.0=95, 3140/1.8=4...(12) HD2 LYS 60 + HE2 LYS 60 OK 95 99 - 97 - 3.0=95, 3130/1.8=4...(12) HD3 LYS 39 - HE3 LYS 39 OK 39 41 - 96 - 3.0=94, 2050/3.6=5...(7) HD2 LYS 39 - HE3 LYS 39 OK 39 41 - 96 - 3.0=94, 2050/3.6=5...(7) HD2 LYS 39 - HE2 LYS 39 OK 39 41 - 96 - 3.0=94, 2050/3.6=5...(7) HD3 LYS 39 - HE2 LYS 39 OK 39 41 - 96 - 3.0=94, 2050/3.6=5...(7) HD3 LYS 62 - HE3 LYS 60 lone 9 99 - 9 - HD2 LYS 62 - HE3 LYS 60 lone 9 99 - 9 - HD3 LYS 62 - HE2 LYS 60 lone 9 99 - 9 - HD2 LYS 62 - HE2 LYS 60 lone 9 99 - 9 - HG13 ILE 50 - HE3 LYS 49 lone 6 69 - 9 - 2.1/4604=4, ~4604=3 HG13 ILE 50 - HE2 LYS 49 lone 6 69 - 9 - 2.1/4604=4, ~4604=3 HD3 LYS 60 - HE3 LYS 62 lone 6 100 - 6 - HD2 LYS 60 - HE3 LYS 62 lone 6 100 - 6 - HD3 LYS 60 - HE2 LYS 62 lone 6 100 - 6 - HD2 LYS 60 - HE2 LYS 62 lone 6 100 - 6 - HB2 LEU 37 - HE3 LYS 49 lone 3 95 - 3 - HB2 LEU 37 - HE2 LYS 49 lone 3 95 - 3 - HB2 LEU 37 - HE2 LYS 39 lone 2 67 - 4 - HB2 LEU 37 - HE3 LYS 39 lone 2 67 - 4 - HD3 LYS 62 - HE3 LYS 49 lone 2 96 - 2 - HD3 LYS 62 - HE2 LYS 49 lone 2 96 - 2 - HD2 LYS 62 - HE2 LYS 49 lone 2 96 - 2 - HD2 LYS 62 - HE3 LYS 49 lone 2 96 - 2 - HD2 LYS 39 - HE2 LYS 49 lone 2 64 - 3 - HD3 LYS 39 - HE3 LYS 49 lone 2 64 - 3 - HD3 LYS 39 - HE2 LYS 49 lone 2 64 - 3 - HD2 LYS 39 - HE3 LYS 49 lone 2 64 - 3 - HB2 LEU 37 - HE3 LYS 62 lone 1 100 - 1 - HB2 LEU 37 - HE2 LYS 62 lone 1 99 - 1 - HD2 LYS 39 - HE3 LYS 62 lone 1 71 - 2 - HD3 LYS 39 - HE3 LYS 62 lone 1 71 - 2 - HD2 LYS 39 - HE2 LYS 62 lone 1 70 - 2 - HD3 LYS 39 - HE2 LYS 62 lone 1 70 - 2 - HB2 LEU 37 - HE3 LYS 60 lone 1 99 - 1 - HG13 ILE 50 - HE3 LYS 62 lone 1 76 - 2 - HB2 LEU 37 - HE2 LYS 60 lone 1 98 - 1 - HD3 LYS 60 - HE3 LYS 49 lone 1 96 - 1 - HD3 LYS 60 - HE2 LYS 49 lone 1 96 - 1 - HG13 ILE 50 - HE2 LYS 62 lone 1 75 - 2 - HD2 LYS 60 - HE3 LYS 49 lone 1 96 - 1 - HD2 LYS 60 - HE2 LYS 49 lone 1 96 - 1 - HD2 LYS 39 - HE3 LYS 60 lone 1 69 - 2 - HD3 LYS 39 - HE3 LYS 60 lone 1 69 - 2 - HD2 LYS 39 - HE2 LYS 60 lone 1 68 - 2 - HD3 LYS 39 - HE2 LYS 60 lone 1 68 - 2 - HG13 ILE 50 - HE3 LYS 60 lone 1 74 - 2 - HG13 ILE 50 - HE2 LYS 60 lone 1 73 - 2 - HD2 LYS 62 - HE3 LYS 39 lone 1 68 - 2 - HD2 LYS 62 - HE2 LYS 39 lone 1 68 - 2 - HD3 LYS 62 - HE2 LYS 39 lone 1 68 - 2 - HD3 LYS 62 - HE3 LYS 39 lone 1 68 - 2 - HG13 ILE 50 - HE2 LYS 39 lone 1 44 - 2 - HG13 ILE 50 - HE3 LYS 39 lone 1 44 - 2 - HD3 LYS 42 - HE3 LYS 49 lone 1 93 - 1 - HD3 LYS 42 - HE2 LYS 49 lone 1 93 - 1 - HD2 LYS 60 - HE2 LYS 39 lone 1 68 - 1 - HD2 LYS 60 - HE3 LYS 39 lone 1 68 - 1 - HD3 LYS 60 - HE2 LYS 39 lone 1 68 - 1 - HD3 LYS 60 - HE3 LYS 39 lone 1 68 - 1 - HG3 LYS 22 - HE2 LYS 49 lone 1 93 - 1 - HG3 LYS 22 - HE3 LYS 49 lone 1 93 - 1 - HG3 LYS 22 - HE3 LYS 62 lone 1 98 - 1 - HG3 LYS 22 - HE2 LYS 62 lone 1 97 - 1 - HD3 LYS 42 - HE3 LYS 62 lone 1 98 - 1 - HD3 LYS 42 - HE2 LYS 62 lone 1 97 - 1 - HG3 LYS 22 - HE3 LYS 60 lone 1 97 - 1 - HG3 LYS 22 - HE2 LYS 60 lone 1 96 - 1 - HD3 LYS 42 - HE3 LYS 60 lone 1 97 - 1 - HD3 LYS 42 - HE2 LYS 60 lone 1 96 - 1 - HG3 LYS 22 - HE2 LYS 39 lone 1 64 - 1 - HG3 LYS 22 - HE3 LYS 39 lone 1 64 - 1 - HB2 LEU 64 - HE3 LYS 62 lone 0 99 - 0 - HB2 LEU 64 - HE2 LYS 62 lone 0 98 - 0 - HB2 LEU 64 - HE3 LYS 60 lone 0 97 - 0 - HB2 LEU 64 - HE2 LYS 60 lone 0 97 - 0 - HB2 LEU 64 - HE3 LYS 49 lone 0 93 - 0 - HB2 LEU 64 - HE2 LYS 49 lone 0 93 - 0 - HD3 LYS 42 - HE3 LYS 39 lone 0 64 - 1 - HD3 LYS 42 - HE2 LYS 39 lone 0 64 - 1 - HB2 LEU 64 - HE3 LYS 39 lone 0 65 - 0 - HB2 LEU 64 - HE2 LYS 39 lone 0 65 - 0 - Peak 3159 from cnoeabs.peaks (2.98, 2.99, 42.11 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: HE3 LYS 62 + HE3 LYS 62 OK 100 100 - 100 HE2 LYS 62 + HE2 LYS 62 OK 100 100 - 100 HE3 LYS 60 + HE3 LYS 60 OK 99 99 - 100 HE2 LYS 60 + HE2 LYS 60 OK 99 99 - 100 HE2 LYS 49 + HE2 LYS 49 OK 96 96 - 100 HE3 LYS 49 + HE3 LYS 49 OK 96 96 - 100 HE2 LYS 39 + HE2 LYS 39 OK 68 68 - 100 HE3 LYS 39 + HE3 LYS 39 OK 68 68 - 100 Reference assignment not found: HE2 LYS 62 - HE3 LYS 62 Peak 3160 from cnoeabs.peaks (2.99, 2.99, 42.11 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: * HE3 LYS 62 + HE3 LYS 62 OK 100 100 - 100 HE2 LYS 62 + HE2 LYS 62 OK 100 100 - 100 HE3 LYS 60 + HE3 LYS 60 OK 99 99 - 100 HE2 LYS 60 + HE2 LYS 60 OK 98 98 - 100 HE2 LYS 49 + HE2 LYS 49 OK 94 94 - 100 HE3 LYS 49 + HE3 LYS 49 OK 94 94 - 100 HE2 LYS 39 + HE2 LYS 39 OK 67 67 - 100 HE3 LYS 39 + HE3 LYS 39 OK 67 67 - 100 Peak 3161 from cnoeabs.peaks (8.38, 4.31, 55.97 ppm; 3.35 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 63 + HA GLN 63 OK 100 100 - 100 - 3.0=100 Peak 3162 from cnoeabs.peaks (4.31, 4.31, 55.97 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLN 63 + HA GLN 63 OK 100 100 - 100 Peak 3163 from cnoeabs.peaks (2.08, 4.31, 55.97 ppm; 3.54 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 63 + HA GLN 63 OK 100 100 - 100 - 3.0=100 Peak 3164 from cnoeabs.peaks (2.00, 4.31, 55.97 ppm; 3.50 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 63 + HA GLN 63 OK 100 100 - 100 - 3.0=100 Peak 3165 from cnoeabs.peaks (2.36, 4.31, 55.97 ppm; 3.86 A): 2 out of 2 assignments used, quality = 1.00: * HG2 GLN 63 + HA GLN 63 OK 100 100 - 100 - 3.7=100 HG3 GLN 63 + HA GLN 63 OK 100 100 - 100 - 3.7=100 Peak 3166 from cnoeabs.peaks (2.36, 4.31, 55.97 ppm; 3.86 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLN 63 + HA GLN 63 OK 100 100 - 100 - 3.7=100 HG2 GLN 63 + HA GLN 63 OK 100 100 - 100 - 3.7=100 Peak 3169 from cnoeabs.peaks (8.38, 2.08, 29.35 ppm; 4.46 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 63 + HB2 GLN 63 OK 100 100 - 100 - 3.9=100 Peak 3170 from cnoeabs.peaks (4.31, 2.08, 29.35 ppm; 3.60 A): 1 out of 1 assignment used, quality = 1.00: * HA GLN 63 + HB2 GLN 63 OK 100 100 - 100 - 3.0=100 Peak 3171 from cnoeabs.peaks (2.08, 2.08, 29.35 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 63 + HB2 GLN 63 OK 100 100 - 100 Peak 3172 from cnoeabs.peaks (2.00, 2.08, 29.35 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 63 + HB2 GLN 63 OK 100 100 - 100 - 1.8=100 Peak 3173 from cnoeabs.peaks (2.36, 2.08, 29.35 ppm; 3.37 A): 2 out of 2 assignments used, quality = 1.00: * HG2 GLN 63 + HB2 GLN 63 OK 100 100 - 100 - 3.0=100 HG3 GLN 63 + HB2 GLN 63 OK 100 100 - 100 - 3.0=100 Peak 3174 from cnoeabs.peaks (2.36, 2.08, 29.35 ppm; 3.37 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLN 63 + HB2 GLN 63 OK 100 100 - 100 - 3.0=100 HG2 GLN 63 + HB2 GLN 63 OK 100 100 - 100 - 3.0=100 Peak 3177 from cnoeabs.peaks (8.38, 2.00, 29.35 ppm; 4.12 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 63 + HB3 GLN 63 OK 100 100 - 100 - 3.9=100 Peak 3178 from cnoeabs.peaks (4.31, 2.00, 29.35 ppm; 3.59 A): 1 out of 1 assignment used, quality = 1.00: * HA GLN 63 + HB3 GLN 63 OK 100 100 - 100 - 3.0=100 Peak 3179 from cnoeabs.peaks (2.08, 2.00, 29.35 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 63 + HB3 GLN 63 OK 100 100 - 100 - 1.8=100 Peak 3180 from cnoeabs.peaks (2.00, 2.00, 29.35 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 GLN 63 + HB3 GLN 63 OK 100 100 - 100 HB3 GLU 18 + HB3 GLU 18 OK 89 89 - 100 HB2 GLU 18 + HB2 GLU 18 OK 89 89 - 100 Peak 3181 from cnoeabs.peaks (2.36, 2.00, 29.35 ppm; 3.31 A): 2 out of 2 assignments used, quality = 1.00: * HG2 GLN 63 + HB3 GLN 63 OK 100 100 - 100 - 3.0=100 HG3 GLN 63 + HB3 GLN 63 OK 100 100 - 100 - 3.0=100 Peak 3182 from cnoeabs.peaks (2.36, 2.00, 29.35 ppm; 3.31 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLN 63 + HB3 GLN 63 OK 100 100 - 100 - 3.0=100 HG2 GLN 63 + HB3 GLN 63 OK 100 100 - 100 - 3.0=100 Peak 3185 from cnoeabs.peaks (8.38, 2.36, 33.72 ppm; 4.47 A): 2 out of 12 assignments used, quality = 0.97: * H GLN 63 + HG2 GLN 63 OK 83 100 - 83 - 5.1=66, 829/3.0=36, 830/1.8=21 H GLN 63 + HG3 GLN 63 OK 83 100 - 83 - 5.1=66, 829/3.0=36...(4) H LEU 64 - HG2 GLN 63 OK 42 98 - 43 - 344/3.7=34, 914/5.1=12 H LEU 64 - HG3 GLN 63 OK 42 98 - 43 - 344/3.7=34, 914/5.1=12 H SER 65 - HG2 GLN 63 lone 3 81 - 4 - 351/5.1=2 H SER 65 - HG3 GLN 63 lone 3 80 - 4 - 351/5.1=2 H GLN 63 - HG3 GLN 53 lone 2 92 - 2 - H GLU 67 - HG3 GLN 53 lone 2 62 - 3 - 4.7/270=1 H SER 65 - HG3 GLN 53 lone 2 69 - 3 - 4.6/270=1 H LEU 64 - HG3 GLN 53 lone 1 88 - 2 - H GLU 67 - HG2 GLN 63 lone 1 73 - 2 - H GLU 67 - HG3 GLN 63 lone 1 73 - 2 - Peak 3186 from cnoeabs.peaks (4.31, 2.36, 33.72 ppm; 3.79 A): 2 out of 2 assignments used, quality = 1.00: * HA GLN 63 + HG2 GLN 63 OK 100 100 - 100 - 3.7=100 HA GLN 63 + HG3 GLN 63 OK 100 100 - 100 - 3.7=100 Peak 3187 from cnoeabs.peaks (2.08, 2.36, 33.72 ppm; 3.66 A): 2 out of 2 assignments used, quality = 1.00: * HB2 GLN 63 + HG2 GLN 63 OK 100 100 - 100 - 3.0=100 HB2 GLN 63 + HG3 GLN 63 OK 100 100 - 100 - 3.0=100 Peak 3188 from cnoeabs.peaks (2.00, 2.36, 33.72 ppm; 3.20 A): 2 out of 2 assignments used, quality = 1.00: * HB3 GLN 63 + HG2 GLN 63 OK 100 100 - 100 - 3.0=100 HB3 GLN 63 + HG3 GLN 63 OK 100 100 - 100 - 3.0=100 Peak 3189 from cnoeabs.peaks (2.36, 2.36, 33.72 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG2 GLN 63 + HG2 GLN 63 OK 100 100 - 100 HG3 GLN 63 + HG3 GLN 63 OK 100 100 - 100 HG3 GLN 53 + HG3 GLN 53 OK 87 87 - 100 Peak 3190 from cnoeabs.peaks (2.36, 2.36, 33.72 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HG2 GLN 63 + HG2 GLN 63 OK 100 100 - 100 HG3 GLN 63 + HG3 GLN 63 OK 100 100 - 100 HG3 GLN 53 + HG3 GLN 53 OK 89 89 - 100 Reference assignment not found: HG3 GLN 63 - HG2 GLN 63 Peak 3191 from cnoeabs.peaks (7.53, 2.36, 33.72 ppm; 4.10 A): 2 out of 2 assignments used, quality = 1.00: * HE21 GLN 63 + HG2 GLN 63 OK 100 100 - 100 - 3.5=100 HE21 GLN 63 + HG3 GLN 63 OK 100 100 - 100 - 3.5=100 Peak 3192 from cnoeabs.peaks (6.87, 2.36, 33.72 ppm; 4.90 A): 2 out of 2 assignments used, quality = 1.00: * HE22 GLN 63 + HG2 GLN 63 OK 100 100 - 100 - 3.5=100 HE22 GLN 63 + HG3 GLN 63 OK 100 100 - 100 - 3.5=100 Peak 3193 from cnoeabs.peaks (8.38, 2.36, 33.72 ppm; 4.47 A): 2 out of 12 assignments used, quality = 0.97: * H GLN 63 + HG3 GLN 63 OK 83 100 - 83 - 5.1=66, 829/3.0=36...(4) H GLN 63 + HG2 GLN 63 OK 83 100 - 83 - 5.1=66, 829/3.0=36...(4) H LEU 64 - HG3 GLN 63 OK 42 98 - 43 - 344/3.7=34, 914/5.1=12 H LEU 64 - HG2 GLN 63 OK 42 98 - 43 - 344/3.7=34, 914/5.1=12 H SER 65 - HG3 GLN 63 lone 3 81 - 4 - 351/5.1=2 H SER 65 - HG2 GLN 63 lone 3 80 - 4 - 351/5.1=2 H GLN 63 - HG3 GLN 53 lone 2 96 - 2 - H GLU 67 - HG3 GLN 53 lone 2 66 - 3 - 4.7/270=2 H SER 65 - HG3 GLN 53 lone 2 73 - 3 - 4.6/270=2 H LEU 64 - HG3 GLN 53 lone 2 92 - 2 - H GLU 67 - HG3 GLN 63 lone 1 73 - 2 - H GLU 67 - HG2 GLN 63 lone 1 73 - 2 - Peak 3194 from cnoeabs.peaks (4.31, 2.36, 33.72 ppm; 3.79 A): 2 out of 2 assignments used, quality = 1.00: * HA GLN 63 + HG3 GLN 63 OK 100 100 - 100 - 3.7=100 HA GLN 63 + HG2 GLN 63 OK 100 100 - 100 - 3.7=100 Peak 3195 from cnoeabs.peaks (2.08, 2.36, 33.72 ppm; 3.66 A): 2 out of 2 assignments used, quality = 1.00: * HB2 GLN 63 + HG3 GLN 63 OK 100 100 - 100 - 3.0=100 HB2 GLN 63 + HG2 GLN 63 OK 100 100 - 100 - 3.0=100 Peak 3196 from cnoeabs.peaks (2.00, 2.36, 33.72 ppm; 3.20 A): 2 out of 2 assignments used, quality = 1.00: * HB3 GLN 63 + HG3 GLN 63 OK 100 100 - 100 - 3.0=100 HB3 GLN 63 + HG2 GLN 63 OK 100 100 - 100 - 3.0=100 Peak 3197 from cnoeabs.peaks (2.36, 2.36, 33.72 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HG3 GLN 63 + HG3 GLN 63 OK 100 100 - 100 HG2 GLN 63 + HG2 GLN 63 OK 100 100 - 100 HG3 GLN 53 + HG3 GLN 53 OK 91 91 - 100 Reference assignment not found: HG2 GLN 63 - HG3 GLN 63 Peak 3198 from cnoeabs.peaks (2.36, 2.36, 33.72 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG3 GLN 63 + HG3 GLN 63 OK 100 100 - 100 HG2 GLN 63 + HG2 GLN 63 OK 100 100 - 100 HG3 GLN 53 + HG3 GLN 53 OK 93 93 - 100 Peak 3199 from cnoeabs.peaks (7.53, 2.36, 33.72 ppm; 4.10 A): 2 out of 2 assignments used, quality = 1.00: * HE21 GLN 63 + HG3 GLN 63 OK 100 100 - 100 - 3.5=100 HE21 GLN 63 + HG2 GLN 63 OK 100 100 - 100 - 3.5=100 Peak 3200 from cnoeabs.peaks (6.87, 2.36, 33.72 ppm; 4.90 A): 2 out of 2 assignments used, quality = 1.00: * HE22 GLN 63 + HG3 GLN 63 OK 100 100 - 100 - 3.5=100 HE22 GLN 63 + HG2 GLN 63 OK 100 100 - 100 - 3.5=100 Peak 3201 from cnoeabs.peaks (8.38, 4.37, 55.19 ppm; 4.05 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 64 + HA LEU 64 OK 100 100 - 100 - 2.9=100 Peak 3202 from cnoeabs.peaks (4.37, 4.37, 55.19 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * HA LEU 64 + HA LEU 64 OK 100 100 - 100 HA LEU 68 + HA LEU 68 OK 65 65 - 100 HA ASN 54 - HA ASN 54 OK 44 44 - 100 Peak 3203 from cnoeabs.peaks (1.66, 4.37, 55.19 ppm; 3.17 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LEU 64 + HA LEU 64 OK 100 100 - 100 - 3.0=100 HB2 LEU 68 - HA LEU 68 OK 43 43 - 100 - 3.0=100 Peak 3204 from cnoeabs.peaks (1.62, 4.37, 55.19 ppm; 3.04 A): 3 out of 3 assignments used, quality = 1.00: * HB3 LEU 64 + HA LEU 64 OK 100 100 - 100 - 3.0=100 HB3 LEU 68 + HA LEU 68 OK 62 62 - 100 - 3.0=100 HB2 LEU 68 + HA LEU 68 OK 54 54 - 100 - 3.0=100 Peak 3205 from cnoeabs.peaks (1.64, 4.37, 55.19 ppm; 3.04 A): 4 out of 4 assignments used, quality = 1.00: HB3 LEU 64 + HA LEU 64 OK 78 78 - 100 - 3.0=100 HB2 LEU 64 + HA LEU 64 OK 78 78 - 100 - 3.0=100 HB2 LEU 68 + HA LEU 68 OK 71 71 - 100 - 3.0=100 HB3 LEU 68 + HA LEU 68 OK 68 68 - 100 - 3.0=100 Reference assignment not found: HG LEU 64 - HA LEU 64 Peak 3206 from cnoeabs.peaks (0.91, 4.37, 55.19 ppm; 4.62 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 64 + HA LEU 64 OK 100 100 - 100 - 3.9=100 Peak 3207 from cnoeabs.peaks (0.85, 4.37, 55.19 ppm; 3.48 A): 3 out of 12 assignments used, quality = 0.95: * QD2 LEU 64 + HA LEU 64 OK 83 100 - 83 - 3.9=71, 3236/2.9=10...(8) QD2 LEU 68 + HA LEU 68 OK 50 66 - 75 - 3.9=70, 2.1/3326=9...(5) QD1 LEU 68 + HA LEU 68 OK 48 63 - 75 - 3.9=70, 2.1/3326=9...(5) QD2 LEU 68 - HA LEU 64 lone 5 97 - 5 - 3236/2.9=1, 3237=1 QD1 LEU 68 - HA LEU 64 lone 5 95 - 5 - QD2 LEU 64 - HA ASN 54 lone 5 60 - 8 - ~4659=2, ~4658=2...(4) QD2 LEU 43 - HA LEU 64 lone 2 99 - 2 - QD2 LEU 64 - HA LEU 68 lone 1 72 - 2 - QD2 LEU 43 - HA ASN 54 lone 1 58 - 2 - QD2 LEU 43 - HA LEU 68 lone 1 70 - 1 - QD2 LEU 68 - HA ASN 54 lone 0 55 - 1 - QD1 LEU 68 - HA ASN 54 lone 0 52 - 1 - Peak 3208 from cnoeabs.peaks (8.38, 1.66, 42.38 ppm; 4.65 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 64 + HB2 LEU 64 OK 100 100 - 100 - 3.8=100 Peak 3209 from cnoeabs.peaks (4.37, 1.66, 42.38 ppm; 3.53 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 64 + HB2 LEU 64 OK 100 100 - 100 - 3.0=100 Peak 3210 from cnoeabs.peaks (1.66, 1.66, 42.38 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 LEU 64 + HB2 LEU 64 OK 100 100 - 100 HB2 LEU 37 + HB2 LEU 37 OK 81 81 - 100 Peak 3211 from cnoeabs.peaks (1.62, 1.66, 42.38 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 64 + HB2 LEU 64 OK 100 100 - 100 - 1.8=100 Peak 3212 from cnoeabs.peaks (1.64, 1.66, 42.38 ppm; diagonal): 2 out of 2 assignments used, quality = 0.89: HB2 LEU 64 + HB2 LEU 64 OK 78 78 - 100 HB2 LEU 37 + HB2 LEU 37 OK 51 51 - 100 Reference assignment not found: HG LEU 64 - HB2 LEU 64 Peak 3213 from cnoeabs.peaks (0.91, 1.66, 42.38 ppm; 3.49 A): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 64 + HB2 LEU 64 OK 100 100 - 100 - 3.1=100 QD2 LEU 37 + HB2 LEU 37 OK 74 74 - 100 - 3.1=100 Peak 3214 from cnoeabs.peaks (0.85, 1.66, 42.38 ppm; 4.49 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 64 + HB2 LEU 64 OK 100 100 - 100 - 3.1=100 Peak 3215 from cnoeabs.peaks (8.38, 1.62, 42.38 ppm; 4.31 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 64 + HB3 LEU 64 OK 100 100 - 100 - 3.8=100 Peak 3216 from cnoeabs.peaks (4.37, 1.62, 42.38 ppm; 3.64 A): 3 out of 3 assignments used, quality = 1.00: * HA LEU 64 + HB3 LEU 64 OK 100 100 - 100 - 3.0=100 HA LEU 68 + HB3 LEU 68 OK 74 74 - 100 - 3.0=100 HA LEU 68 + HB2 LEU 68 OK 55 55 - 100 - 3.0=100 Peak 3217 from cnoeabs.peaks (1.66, 1.62, 42.38 ppm; 2.40 A): 2 out of 2 assignments used, quality = 1.00: * HB2 LEU 64 + HB3 LEU 64 OK 100 100 - 100 - 1.8=100 HB2 LEU 68 + HB3 LEU 68 OK 50 50 - 100 - 1.8=100 Peak 3218 from cnoeabs.peaks (1.62, 1.62, 42.38 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB3 LEU 64 + HB3 LEU 64 OK 100 100 - 100 HB2 LEU 41 + HB2 LEU 41 OK 96 96 - 100 HB3 LEU 68 + HB3 LEU 68 OK 70 70 - 100 HB2 LEU 68 + HB2 LEU 68 OK 45 45 - 100 Peak 3219 from cnoeabs.peaks (1.64, 1.62, 42.38 ppm; diagonal): 4 out of 4 assignments used, quality = 0.99: HB3 LEU 64 + HB3 LEU 64 OK 78 78 - 100 HB3 LEU 68 + HB3 LEU 68 OK 77 77 - 100 HB2 LEU 41 + HB2 LEU 41 OK 71 71 - 100 HB2 LEU 68 + HB2 LEU 68 OK 61 61 - 100 Reference assignment not found: HG LEU 64 - HB3 LEU 64 Peak 3220 from cnoeabs.peaks (0.91, 1.62, 42.38 ppm; 3.72 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 64 + HB3 LEU 64 OK 100 100 - 100 - 3.1=100 Peak 3221 from cnoeabs.peaks (0.85, 1.62, 42.38 ppm; 4.43 A): 5 out of 5 assignments used, quality = 1.00: * QD2 LEU 64 + HB3 LEU 64 OK 100 100 - 100 - 3.1=100 QD2 LEU 68 + HB3 LEU 68 OK 75 75 - 100 - 3.1=100 QD1 LEU 68 + HB3 LEU 68 OK 71 71 - 100 - 3.1=100 QD2 LEU 68 + HB2 LEU 68 OK 56 56 - 100 - 3.1=100 QD1 LEU 68 + HB2 LEU 68 OK 53 53 - 100 - 3.1=100 Peak 3222 from cnoeabs.peaks (8.38, 1.64, 26.77 ppm; 4.43 A): 2 out of 4 assignments used, quality = 0.90: * H LEU 64 + HG LEU 64 OK 89 100 - 89 - 5.1=67, 836/3.0=26...(8) H GLN 63 + HG LEU 64 OK 14 98 - 14 - 914/5.1=7, 3236/2.1=3 H GLU 67 - HG LEU 64 lone 2 92 - 2 - H GLU 20 - HG LEU 64 lone 1 71 - 2 - Peak 3223 from cnoeabs.peaks (4.37, 1.64, 26.77 ppm; 4.21 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 64 + HG LEU 64 OK 100 100 - 100 - 3.7=100 Peak 3224 from cnoeabs.peaks (1.66, 1.64, 26.77 ppm; diagonal): 1 out of 1 assignment used, quality = 0.78: HG LEU 64 + HG LEU 64 OK 78 78 - 100 Reference assignment not found: HB2 LEU 64 - HG LEU 64 Peak 3225 from cnoeabs.peaks (1.62, 1.64, 26.77 ppm; diagonal): 1 out of 1 assignment used, quality = 0.78: HG LEU 64 + HG LEU 64 OK 78 78 - 100 Reference assignment not found: HB3 LEU 64 - HG LEU 64 Peak 3226 from cnoeabs.peaks (1.64, 1.64, 26.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 64 + HG LEU 64 OK 100 100 - 100 Peak 3227 from cnoeabs.peaks (0.91, 1.64, 26.77 ppm; 4.24 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 64 + HG LEU 64 OK 100 100 - 100 - 2.1=100 Peak 3228 from cnoeabs.peaks (0.85, 1.64, 26.77 ppm; 4.63 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 64 + HG LEU 64 OK 100 100 - 100 - 2.1=100 Peak 3229 from cnoeabs.peaks (8.38, 0.91, 25.32 ppm; 5.02 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 64 + QD1 LEU 64 OK 100 100 - 100 - 4.7=100 Peak 3230 from cnoeabs.peaks (4.37, 0.91, 25.32 ppm; 5.01 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 64 + QD1 LEU 64 OK 100 100 - 100 - 3.9=100 Peak 3231 from cnoeabs.peaks (1.66, 0.91, 25.32 ppm; 3.25 A): 2 out of 2 assignments used, quality = 1.00: * HB2 LEU 64 + QD1 LEU 64 OK 100 100 - 100 - 3.1=100 HG LEU 64 + QD1 LEU 64 OK 78 78 - 100 - 2.1=100 Peak 3232 from cnoeabs.peaks (1.62, 0.91, 25.32 ppm; 3.62 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LEU 64 + QD1 LEU 64 OK 100 100 - 100 - 3.1=100 HG LEU 64 + QD1 LEU 64 OK 78 78 - 100 - 2.1=100 Peak 3233 from cnoeabs.peaks (1.64, 0.91, 25.32 ppm; 3.62 A): 3 out of 3 assignments used, quality = 1.00: * HG LEU 64 + QD1 LEU 64 OK 100 100 - 100 - 2.1=100 HB3 LEU 64 + QD1 LEU 64 OK 78 78 - 100 - 3.1=100 HB2 LEU 64 + QD1 LEU 64 OK 78 78 - 100 - 3.1=100 Peak 3234 from cnoeabs.peaks (0.91, 0.91, 25.32 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 64 + QD1 LEU 64 OK 100 100 - 100 Peak 3235 from cnoeabs.peaks (0.85, 0.91, 25.32 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 64 + QD1 LEU 64 OK 100 100 - 100 - 2.1=100 Peak 3236 from cnoeabs.peaks (8.38, 0.85, 23.25 ppm; 4.58 A): 1 out of 12 assignments used, quality = 0.99: * H LEU 64 + QD2 LEU 64 OK 99 100 - 99 - 4.7=96, 3222/2.1=33...(5) H GLN 63 - QD2 LEU 64 OK 17 98 - 17 - 914/4.7=9, 3222/2.1=5 H GLU 67 - QD2 LEU 68 OK 16 77 - 21 - 366/4.7=20 H GLU 67 - QD1 LEU 68 OK 15 71 - 21 - 366/4.7=20 H LEU 64 - QD2 LEU 68 poor 10 89 - 11 - 366/4.7=2, 837/2.1=2...(5) H LEU 64 - QD1 LEU 68 poor 9 83 - 11 - 366/4.7=2, 837/2.1=2...(5) H GLN 63 - QD2 LEU 68 lone 2 85 - 2 - H GLU 67 - QD2 LEU 64 lone 2 92 - 2 - H GLN 63 - QD1 LEU 68 lone 2 79 - 2 - H GLU 20 - QD2 LEU 64 lone 1 71 - 2 - H GLU 20 - QD2 LEU 68 lone 1 57 - 2 - H GLU 20 - QD1 LEU 68 lone 1 52 - 2 - Peak 3237 from cnoeabs.peaks (4.37, 0.85, 23.25 ppm; 3.59 A): 3 out of 24 assignments used, quality = 0.98: * HA LEU 64 + QD2 LEU 64 OK 87 100 - 87 - 3.9=78, 2.9/3236=11...(8) HA LEU 68 + QD2 LEU 68 OK 67 82 - 81 - 3.9=77, 3207/2.1=8...(5) HA LEU 68 + QD1 LEU 68 OK 62 77 - 81 - 3.9=77, 3207/2.1=9...(5) HA ASN 54 - QD2 LEU 64 lone 7 85 - 8 - ~4659=2, ~4658=2...(4) HA LEU 64 - QD2 LEU 68 lone 6 89 - 6 - 3207=1, 2.9/3236=1 HA LEU 64 - QD1 LEU 68 lone 5 83 - 6 - 3207=1, 2.9/3236=1 HA PRO 32 - QD2 LEU 68 lone 3 86 - 4 - 3727/4.7=1, 4294/2.1=1 HA PRO 32 - QD1 LEU 68 lone 3 80 - 4 - 3727/4.7=1, 4294/2.1=1 HA LYS 22 - QD2 LEU 64 lone 3 76 - 3 - HB2 SER 12 - QD2 LEU 68 lone 3 89 - 3 - HB2 SER 12 - QD1 LEU 68 lone 2 83 - 3 - HB2 SER 12 - QD2 LEU 64 lone 2 100 - 2 - HA LEU 68 - QD2 LEU 64 lone 2 97 - 2 - HA PRO 32 - QD2 LEU 64 lone 1 99 - 1 - HA HIS 13 - QD2 LEU 64 lone 1 100 - 1 - HA ASN 40 - QD2 LEU 64 lone 1 100 - 1 - HA HIS 13 - QD2 LEU 68 lone 1 89 - 1 - HA ASN 40 - QD2 LEU 68 lone 1 89 - 1 - HA HIS 13 - QD1 LEU 68 lone 1 83 - 1 - HA ASN 40 - QD1 LEU 68 lone 1 83 - 1 - HA LYS 22 - QD2 LEU 68 lone 1 61 - 1 - HA LYS 22 - QD1 LEU 68 lone 1 56 - 1 - HA ASN 54 - QD2 LEU 68 lone 1 70 - 1 - HA ASN 54 - QD1 LEU 68 lone 1 64 - 1 - Peak 3238 from cnoeabs.peaks (1.66, 0.85, 23.25 ppm; 3.61 A): 4 out of 4 assignments used, quality = 1.00: * HB2 LEU 64 + QD2 LEU 64 OK 100 100 - 100 - 3.1=100 HG LEU 64 + QD2 LEU 64 OK 78 78 - 100 - 2.1=100 HB2 LEU 68 + QD2 LEU 68 OK 57 57 - 100 - 3.1=100 HB2 LEU 68 + QD1 LEU 68 OK 52 52 - 100 - 3.1=100 Peak 3239 from cnoeabs.peaks (1.62, 0.85, 23.25 ppm; 3.37 A): 8 out of 8 assignments used, quality = 1.00: * HB3 LEU 64 + QD2 LEU 64 OK 100 100 - 100 - 3.1=100 HG LEU 68 + QD2 LEU 68 OK 89 89 - 100 - 2.1=100 HG LEU 68 + QD1 LEU 68 OK 83 83 - 100 - 2.1=100 HB3 LEU 68 + QD2 LEU 68 OK 78 78 - 100 - 3.1=100 HG LEU 64 + QD2 LEU 64 OK 78 78 - 100 - 2.1=100 HB3 LEU 68 + QD1 LEU 68 OK 73 73 - 100 - 3.1=100 HB2 LEU 68 + QD2 LEU 68 OK 70 70 - 100 - 3.1=100 HB2 LEU 68 + QD1 LEU 68 OK 64 64 - 100 - 3.1=100 Peak 3240 from cnoeabs.peaks (1.64, 0.85, 23.25 ppm; 3.37 A): 9 out of 9 assignments used, quality = 1.00: * HG LEU 64 + QD2 LEU 64 OK 100 100 - 100 - 2.1=100 HB2 LEU 68 + QD2 LEU 68 OK 88 88 - 100 - 3.1=100 HB3 LEU 68 + QD2 LEU 68 OK 85 85 - 100 - 3.1=100 HB2 LEU 68 + QD1 LEU 68 OK 83 83 - 100 - 3.1=100 HB3 LEU 68 + QD1 LEU 68 OK 80 80 - 100 - 3.1=100 HB3 LEU 64 + QD2 LEU 64 OK 78 78 - 100 - 3.1=100 HB2 LEU 64 + QD2 LEU 64 OK 78 78 - 100 - 3.1=100 HG LEU 68 + QD2 LEU 68 OK 59 59 - 100 - 2.1=100 HG LEU 68 + QD1 LEU 68 OK 54 54 - 100 - 2.1=100 Peak 3241 from cnoeabs.peaks (0.91, 0.85, 23.25 ppm; 2.45 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 64 + QD2 LEU 64 OK 100 100 - 100 - 2.1=100 Peak 3242 from cnoeabs.peaks (0.85, 0.85, 23.25 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * QD2 LEU 64 + QD2 LEU 64 OK 100 100 - 100 QD2 LEU 68 + QD2 LEU 68 OK 84 84 - 100 QD1 LEU 68 + QD1 LEU 68 OK 74 74 - 100 Peak 3243 from cnoeabs.peaks (8.35, 4.43, 58.54 ppm; 4.84 A): 1 out of 1 assignment used, quality = 1.00: * H SER 65 + HA SER 65 OK 100 100 - 100 - 2.9=100 Peak 3244 from cnoeabs.peaks (4.43, 4.43, 58.54 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA SER 65 + HA SER 65 OK 100 100 - 100 HA SER 66 + HA SER 66 OK 50 50 - 100 Peak 3245 from cnoeabs.peaks (3.93, 4.43, 58.54 ppm; 3.11 A): 2 out of 2 assignments used, quality = 1.00: * HB2 SER 65 + HA SER 65 OK 100 100 - 100 - 3.0=100 HB2 SER 66 + HA SER 66 OK 55 55 - 100 - 3.0=100 Peak 3246 from cnoeabs.peaks (3.87, 4.43, 58.54 ppm; 2.90 A): 2 out of 4 assignments used, quality = 0.94: * HB3 SER 65 + HA SER 65 OK 88 100 - 88 - 3.0=87 HB3 SER 66 + HA SER 66 OK 54 61 - 88 - 3.0=88 HB3 SER 66 - HA SER 65 lone 0 100 - 0 - HB3 SER 65 - HA SER 66 lone 0 61 - 0 - Peak 3247 from cnoeabs.peaks (8.35, 3.93, 63.72 ppm; 5.13 A): 1 out of 1 assignment used, quality = 1.00: * H SER 65 + HB2 SER 65 OK 100 100 - 100 - 3.9=100 Peak 3248 from cnoeabs.peaks (4.43, 3.93, 63.72 ppm; 3.27 A): 2 out of 2 assignments used, quality = 1.00: * HA SER 65 + HB2 SER 65 OK 100 100 - 100 - 3.0=100 HA SER 66 + HB2 SER 66 OK 69 69 - 100 - 3.0=100 Peak 3249 from cnoeabs.peaks (3.93, 3.93, 63.72 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 SER 65 + HB2 SER 65 OK 100 100 - 100 HB2 SER 66 + HB2 SER 66 OK 75 75 - 100 Peak 3250 from cnoeabs.peaks (3.87, 3.93, 63.72 ppm; 2.40 A): 2 out of 2 assignments used, quality = 1.00: * HB3 SER 65 + HB2 SER 65 OK 100 100 - 100 - 1.8=100 HB3 SER 66 + HB2 SER 66 OK 82 82 - 100 - 1.8=100 Peak 3251 from cnoeabs.peaks (8.35, 3.87, 63.72 ppm; 4.97 A): 1 out of 1 assignment used, quality = 1.00: * H SER 65 + HB3 SER 65 OK 100 100 - 100 - 3.9=100 Peak 3252 from cnoeabs.peaks (4.43, 3.87, 63.72 ppm; 3.23 A): 2 out of 2 assignments used, quality = 1.00: * HA SER 65 + HB3 SER 65 OK 100 100 - 100 - 3.0=100 HA SER 66 + HB3 SER 66 OK 86 86 - 100 - 3.0=100 Peak 3253 from cnoeabs.peaks (3.93, 3.87, 63.72 ppm; 2.40 A): 2 out of 2 assignments used, quality = 1.00: * HB2 SER 65 + HB3 SER 65 OK 100 100 - 100 - 1.8=100 HB2 SER 66 + HB3 SER 66 OK 92 92 - 100 - 1.8=100 Peak 3254 from cnoeabs.peaks (3.87, 3.87, 63.72 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 SER 65 + HB3 SER 65 OK 100 100 - 100 HB3 SER 66 + HB3 SER 66 OK 98 98 - 100 Peak 3255 from cnoeabs.peaks (8.28, 4.45, 58.33 ppm; 4.04 A): 2 out of 2 assignments used, quality = 1.00: * H SER 66 + HA SER 66 OK 100 100 - 100 - 3.0=100 H SER 66 + HA SER 65 OK 61 61 - 100 - 3.6=100 Peak 3256 from cnoeabs.peaks (4.45, 4.45, 58.33 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA SER 66 + HA SER 66 OK 100 100 - 100 HA SER 65 + HA SER 65 OK 50 50 - 100 Peak 3257 from cnoeabs.peaks (3.94, 4.45, 58.33 ppm; 3.07 A): 2 out of 2 assignments used, quality = 1.00: * HB2 SER 66 + HA SER 66 OK 100 100 - 100 - 3.0=100 HB2 SER 65 + HA SER 65 OK 55 55 - 100 - 3.0=100 Peak 3258 from cnoeabs.peaks (3.87, 4.45, 58.33 ppm; 2.91 A): 2 out of 4 assignments used, quality = 0.95: * HB3 SER 66 + HA SER 66 OK 90 100 - 90 - 3.0=90 HB3 SER 65 + HA SER 65 OK 55 61 - 89 - 3.0=89 HB3 SER 65 - HA SER 66 lone 0 100 - 0 - HB3 SER 66 - HA SER 65 lone 0 61 - 0 - Peak 3260 from cnoeabs.peaks (4.45, 3.94, 63.84 ppm; 3.47 A): 2 out of 2 assignments used, quality = 1.00: * HA SER 66 + HB2 SER 66 OK 100 100 - 100 - 3.0=100 HA SER 65 + HB2 SER 65 OK 69 69 - 100 - 3.0=100 Peak 3261 from cnoeabs.peaks (3.94, 3.94, 63.84 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 SER 66 + HB2 SER 66 OK 100 100 - 100 HB2 SER 65 + HB2 SER 65 OK 75 75 - 100 Peak 3262 from cnoeabs.peaks (3.87, 3.94, 63.84 ppm; 2.40 A): 2 out of 2 assignments used, quality = 1.00: * HB3 SER 66 + HB2 SER 66 OK 100 100 - 100 - 1.8=100 HB3 SER 65 + HB2 SER 65 OK 82 82 - 100 - 1.8=100 Peak 3264 from cnoeabs.peaks (4.45, 3.87, 63.84 ppm; 3.29 A): 2 out of 2 assignments used, quality = 1.00: * HA SER 66 + HB3 SER 66 OK 100 100 - 100 - 3.0=100 HA SER 65 + HB3 SER 65 OK 86 86 - 100 - 3.0=100 Peak 3265 from cnoeabs.peaks (3.94, 3.87, 63.84 ppm; 2.40 A): 2 out of 2 assignments used, quality = 1.00: * HB2 SER 66 + HB3 SER 66 OK 100 100 - 100 - 1.8=100 HB2 SER 65 + HB3 SER 65 OK 92 92 - 100 - 1.8=100 Peak 3266 from cnoeabs.peaks (3.87, 3.87, 63.84 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 SER 66 + HB3 SER 66 OK 100 100 - 100 HB3 SER 65 + HB3 SER 65 OK 98 98 - 100 Peak 3267 from cnoeabs.peaks (8.40, 4.31, 56.58 ppm; 3.92 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 67 + HA GLU 67 OK 100 100 - 100 - 3.0=100 Peak 3268 from cnoeabs.peaks (4.31, 4.31, 56.58 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 67 + HA GLU 67 OK 100 100 - 100 Peak 3269 from cnoeabs.peaks (2.09, 4.31, 56.58 ppm; 3.49 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 67 + HA GLU 67 OK 100 100 - 100 - 3.0=100 Peak 3270 from cnoeabs.peaks (1.96, 4.31, 56.58 ppm; 3.87 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 67 + HA GLU 67 OK 100 100 - 100 - 3.0=100 Peak 3271 from cnoeabs.peaks (2.28, 4.31, 56.58 ppm; 5.51 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 67 + HA GLU 67 OK 100 100 - 100 - 3.7=100 Peak 3272 from cnoeabs.peaks (2.25, 4.31, 56.58 ppm; 4.47 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 67 + HA GLU 67 OK 100 100 - 100 - 3.7=100 Peak 3273 from cnoeabs.peaks (8.40, 2.09, 29.91 ppm; 4.93 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 67 + HB2 GLU 67 OK 100 100 - 100 - 4.0=100 Peak 3274 from cnoeabs.peaks (4.31, 2.09, 29.91 ppm; 3.68 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 67 + HB2 GLU 67 OK 100 100 - 100 - 3.0=100 Peak 3275 from cnoeabs.peaks (2.09, 2.09, 29.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 67 + HB2 GLU 67 OK 100 100 - 100 Peak 3276 from cnoeabs.peaks (1.96, 2.09, 29.91 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 67 + HB2 GLU 67 OK 100 100 - 100 - 1.8=100 Peak 3277 from cnoeabs.peaks (2.28, 2.09, 29.91 ppm; 3.34 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 67 + HB2 GLU 67 OK 100 100 - 100 - 2.8=100 Peak 3278 from cnoeabs.peaks (2.25, 2.09, 29.91 ppm; 3.00 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 67 + HB2 GLU 67 OK 100 100 - 100 - 2.8=100 Peak 3279 from cnoeabs.peaks (8.40, 1.96, 29.91 ppm; 4.38 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 67 + HB3 GLU 67 OK 100 100 - 100 - 4.0=100 Peak 3280 from cnoeabs.peaks (4.31, 1.96, 29.91 ppm; 4.03 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 67 + HB3 GLU 67 OK 100 100 - 100 - 3.0=100 Peak 3281 from cnoeabs.peaks (2.09, 1.96, 29.91 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 67 + HB3 GLU 67 OK 100 100 - 100 - 1.8=100 Peak 3282 from cnoeabs.peaks (1.96, 1.96, 29.91 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 GLU 67 + HB3 GLU 67 OK 100 100 - 100 HB2 ARG 21 + HB2 ARG 21 OK 71 71 - 100 HB3 ARG 21 + HB3 ARG 21 OK 63 63 - 100 Peak 3283 from cnoeabs.peaks (2.28, 1.96, 29.91 ppm; 3.75 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 67 + HB3 GLU 67 OK 100 100 - 100 - 2.8=100 Peak 3284 from cnoeabs.peaks (2.25, 1.96, 29.91 ppm; 3.52 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 67 + HB3 GLU 67 OK 100 100 - 100 - 2.8=100 Peak 3286 from cnoeabs.peaks (4.31, 2.28, 36.01 ppm; 4.36 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 67 + HG2 GLU 67 OK 100 100 - 100 - 3.7=100 Peak 3287 from cnoeabs.peaks (2.09, 2.28, 36.01 ppm; 2.92 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 67 + HG2 GLU 67 OK 100 100 - 100 - 2.8=100 Peak 3288 from cnoeabs.peaks (1.96, 2.28, 36.01 ppm; 4.40 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 67 + HG2 GLU 67 OK 100 100 - 100 - 2.8=100 Peak 3289 from cnoeabs.peaks (2.28, 2.28, 36.01 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 67 + HG2 GLU 67 OK 100 100 - 100 Peak 3290 from cnoeabs.peaks (2.25, 2.28, 36.01 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 67 + HG2 GLU 67 OK 100 100 - 100 - 1.8=100 Peak 3292 from cnoeabs.peaks (4.31, 2.25, 36.01 ppm; 4.60 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 67 + HG3 GLU 67 OK 100 100 - 100 - 3.7=100 Peak 3293 from cnoeabs.peaks (2.09, 2.25, 36.01 ppm; 3.08 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 67 + HG3 GLU 67 OK 100 100 - 100 - 2.8=100 Peak 3294 from cnoeabs.peaks (1.96, 2.25, 36.01 ppm; 4.19 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 67 + HG3 GLU 67 OK 100 100 - 100 - 2.8=100 Peak 3295 from cnoeabs.peaks (2.28, 2.25, 36.01 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 67 + HG3 GLU 67 OK 100 100 - 100 - 1.8=100 Peak 3296 from cnoeabs.peaks (2.25, 2.25, 36.01 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 67 + HG3 GLU 67 OK 100 100 - 100 Peak 3297 from cnoeabs.peaks (8.14, 4.36, 54.95 ppm; 4.95 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 68 + HA LEU 68 OK 100 100 - 100 - 3.0=100 Peak 3298 from cnoeabs.peaks (4.36, 4.36, 54.95 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA LEU 68 + HA LEU 68 OK 100 100 - 100 HA ASN 54 + HA ASN 54 OK 85 85 - 100 HA LEU 64 + HA LEU 64 OK 65 65 - 100 Peak 3299 from cnoeabs.peaks (1.64, 4.36, 54.95 ppm; 3.41 A): 3 out of 4 assignments used, quality = 1.00: * HB2 LEU 68 + HA LEU 68 OK 100 100 - 100 - 3.0=100 HB3 LEU 68 + HA LEU 68 OK 100 100 - 100 - 3.0=100 HB3 LEU 64 + HA LEU 64 OK 54 54 - 100 - 3.0=100 HB2 LEU 64 - HA LEU 64 OK 43 43 - 100 - 3.0=100 Peak 3300 from cnoeabs.peaks (1.63, 4.36, 54.95 ppm; 3.41 A): 3 out of 3 assignments used, quality = 1.00: * HB3 LEU 68 + HA LEU 68 OK 100 100 - 100 - 3.0=100 HB2 LEU 68 + HA LEU 68 OK 100 100 - 100 - 3.0=100 HB3 LEU 64 + HA LEU 64 OK 62 62 - 100 - 3.0=100 Peak 3301 from cnoeabs.peaks (1.61, 4.36, 54.95 ppm; 3.53 A): 3 out of 3 assignments used, quality = 0.99: HB3 LEU 68 + HA LEU 68 OK 90 90 - 100 - 3.0=100 HB2 LEU 68 + HA LEU 68 OK 81 81 - 100 - 3.0=100 HB3 LEU 64 + HA LEU 64 OK 71 71 - 100 - 3.0=100 Reference assignment not found: HG LEU 68 - HA LEU 68 Peak 3302 from cnoeabs.peaks (0.86, 4.36, 54.95 ppm; 3.90 A): 1 out of 1 assignment used, quality = 0.63: QD2 LEU 64 + HA LEU 64 OK 63 63 - 100 - 3.9=100 Reference assignment not found: QD1 LEU 68 - HA LEU 68 Peak 3303 from cnoeabs.peaks (0.86, 4.36, 54.95 ppm; 3.90 A): 1 out of 1 assignment used, quality = 0.66: QD2 LEU 64 + HA LEU 64 OK 66 66 - 100 - 3.9=100 Reference assignment not found: QD2 LEU 68 - HA LEU 68 Peak 3304 from cnoeabs.peaks (8.14, 1.64, 42.41 ppm; 4.88 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 68 + HB2 LEU 68 OK 100 100 - 100 - 3.8=100 H LEU 68 + HB3 LEU 68 OK 99 99 - 100 - 3.8=100 Peak 3305 from cnoeabs.peaks (4.36, 1.64, 42.41 ppm; 3.62 A): 3 out of 4 assignments used, quality = 1.00: * HA LEU 68 + HB2 LEU 68 OK 100 100 - 100 - 3.0=100 HA LEU 68 + HB3 LEU 68 OK 99 99 - 100 - 3.0=100 HA LEU 64 + HB3 LEU 64 OK 55 55 - 100 - 3.0=100 HA LEU 41 - HB2 LEU 41 OK 37 37 - 100 - 3.0=100 Peak 3306 from cnoeabs.peaks (1.64, 1.64, 42.41 ppm; diagonal): 3 out of 4 assignments used, quality = 1.00: * HB2 LEU 68 + HB2 LEU 68 OK 100 100 - 100 HB3 LEU 68 + HB3 LEU 68 OK 98 98 - 100 HB3 LEU 64 + HB3 LEU 64 OK 45 45 - 100 HB2 LEU 41 - HB2 LEU 41 OK 42 42 - 100 Peak 3307 from cnoeabs.peaks (1.63, 1.64, 42.41 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HB2 LEU 68 + HB2 LEU 68 OK 100 100 - 100 HB3 LEU 68 + HB3 LEU 68 OK 99 99 - 100 HB3 LEU 64 + HB3 LEU 64 OK 52 52 - 100 HB2 LEU 41 + HB2 LEU 41 OK 49 49 - 100 Reference assignment not found: HB3 LEU 68 - HB2 LEU 68 Peak 3308 from cnoeabs.peaks (1.61, 1.64, 42.41 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HB3 LEU 68 + HB3 LEU 68 OK 87 87 - 100 HB2 LEU 68 + HB2 LEU 68 OK 81 81 - 100 HB3 LEU 64 + HB3 LEU 64 OK 61 61 - 100 HB2 LEU 41 + HB2 LEU 41 OK 57 57 - 100 Reference assignment not found: HG LEU 68 - HB2 LEU 68 Peak 3309 from cnoeabs.peaks (0.86, 1.64, 42.41 ppm; 3.91 A): 5 out of 5 assignments used, quality = 1.00: * QD1 LEU 68 + HB2 LEU 68 OK 100 100 - 100 - 3.1=100 QD2 LEU 68 + HB2 LEU 68 OK 100 100 - 100 - 3.1=100 QD1 LEU 68 + HB3 LEU 68 OK 99 99 - 100 - 3.1=100 QD2 LEU 68 + HB3 LEU 68 OK 99 99 - 100 - 3.1=100 QD2 LEU 64 + HB3 LEU 64 OK 53 53 - 100 - 3.1=100 Peak 3310 from cnoeabs.peaks (0.86, 1.64, 42.41 ppm; 3.91 A): 5 out of 5 assignments used, quality = 1.00: * QD2 LEU 68 + HB2 LEU 68 OK 100 100 - 100 - 3.1=100 QD1 LEU 68 + HB2 LEU 68 OK 100 100 - 100 - 3.1=100 QD2 LEU 68 + HB3 LEU 68 OK 99 99 - 100 - 3.1=100 QD1 LEU 68 + HB3 LEU 68 OK 99 99 - 100 - 3.1=100 QD2 LEU 64 + HB3 LEU 64 OK 56 56 - 100 - 3.1=100 Peak 3311 from cnoeabs.peaks (8.14, 1.63, 42.41 ppm; 4.72 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 68 + HB3 LEU 68 OK 100 100 - 100 - 3.8=100 H LEU 68 + HB2 LEU 68 OK 99 99 - 100 - 3.8=100 Peak 3312 from cnoeabs.peaks (4.36, 1.63, 42.41 ppm; 3.43 A): 4 out of 4 assignments used, quality = 1.00: * HA LEU 68 + HB3 LEU 68 OK 100 100 - 100 - 3.0=100 HA LEU 68 + HB2 LEU 68 OK 99 99 - 100 - 3.0=100 HA LEU 64 + HB3 LEU 64 OK 74 74 - 100 - 3.0=100 HA LEU 41 + HB2 LEU 41 OK 50 50 - 100 - 3.0=100 Peak 3313 from cnoeabs.peaks (1.64, 1.63, 42.41 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HB3 LEU 68 + HB3 LEU 68 OK 100 100 - 100 HB2 LEU 68 + HB2 LEU 68 OK 99 99 - 100 HB3 LEU 64 + HB3 LEU 64 OK 62 62 - 100 HB2 LEU 41 + HB2 LEU 41 OK 58 58 - 100 Reference assignment not found: HB2 LEU 68 - HB3 LEU 68 Peak 3314 from cnoeabs.peaks (1.63, 1.63, 42.41 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB3 LEU 68 + HB3 LEU 68 OK 100 100 - 100 HB2 LEU 68 + HB2 LEU 68 OK 98 98 - 100 HB3 LEU 64 + HB3 LEU 64 OK 70 70 - 100 HB2 LEU 41 + HB2 LEU 41 OK 66 66 - 100 Peak 3315 from cnoeabs.peaks (1.61, 1.63, 42.41 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HB3 LEU 68 + HB3 LEU 68 OK 90 90 - 100 HB3 LEU 64 + HB3 LEU 64 OK 80 80 - 100 HB2 LEU 68 + HB2 LEU 68 OK 78 78 - 100 HB2 LEU 41 + HB2 LEU 41 OK 76 76 - 100 Reference assignment not found: HG LEU 68 - HB3 LEU 68 Peak 3316 from cnoeabs.peaks (0.86, 1.63, 42.41 ppm; 3.87 A): 5 out of 5 assignments used, quality = 1.00: * QD1 LEU 68 + HB3 LEU 68 OK 100 100 - 100 - 3.1=100 QD2 LEU 68 + HB3 LEU 68 OK 100 100 - 100 - 3.1=100 QD1 LEU 68 + HB2 LEU 68 OK 99 99 - 100 - 3.1=100 QD2 LEU 68 + HB2 LEU 68 OK 99 99 - 100 - 3.1=100 QD2 LEU 64 + HB3 LEU 64 OK 71 71 - 100 - 3.1=100 Peak 3317 from cnoeabs.peaks (0.86, 1.63, 42.41 ppm; 3.87 A): 5 out of 5 assignments used, quality = 1.00: * QD2 LEU 68 + HB3 LEU 68 OK 100 100 - 100 - 3.1=100 QD1 LEU 68 + HB3 LEU 68 OK 100 100 - 100 - 3.1=100 QD2 LEU 68 + HB2 LEU 68 OK 99 99 - 100 - 3.1=100 QD1 LEU 68 + HB2 LEU 68 OK 99 99 - 100 - 3.1=100 QD2 LEU 64 + HB3 LEU 64 OK 75 75 - 100 - 3.1=100 Peak 3319 from cnoeabs.peaks (4.36, 1.61, 26.77 ppm; 4.60 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 68 + HG LEU 68 OK 100 100 - 100 - 3.6=100 Peak 3320 from cnoeabs.peaks (1.64, 1.61, 26.77 ppm; diagonal): 1 out of 1 assignment used, quality = 0.81: HG LEU 68 + HG LEU 68 OK 81 81 - 100 Reference assignment not found: HB2 LEU 68 - HG LEU 68 Peak 3321 from cnoeabs.peaks (1.63, 1.61, 26.77 ppm; diagonal): 1 out of 1 assignment used, quality = 0.90: HG LEU 68 + HG LEU 68 OK 90 90 - 100 Reference assignment not found: HB3 LEU 68 - HG LEU 68 Peak 3322 from cnoeabs.peaks (1.61, 1.61, 26.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 68 + HG LEU 68 OK 100 100 - 100 Peak 3323 from cnoeabs.peaks (0.86, 1.61, 26.77 ppm; 5.10 A): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 68 + HG LEU 68 OK 100 100 - 100 - 2.1=100 QD2 LEU 68 + HG LEU 68 OK 100 100 - 100 - 2.1=100 Peak 3324 from cnoeabs.peaks (0.86, 1.61, 26.77 ppm; 5.10 A): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 68 + HG LEU 68 OK 100 100 - 100 - 2.1=100 QD1 LEU 68 + HG LEU 68 OK 100 100 - 100 - 2.1=100 Peak 3326 from cnoeabs.peaks (4.36, 0.86, 23.20 ppm; 3.51 A): 3 out of 27 assignments used, quality = 0.98: * HA LEU 68 + QD1 LEU 68 OK 77 100 - 77 - 3.9=72, 3207/2.1=8...(5) HA LEU 68 + QD2 LEU 68 OK 76 99 - 77 - 3.9=72, 3207/2.1=8...(5) HA LEU 64 + QD2 LEU 64 OK 63 77 - 83 - 3.9=73, ~3222=10...(8) HA ASN 54 - QD2 LEU 64 lone 6 80 - 7 - ~4659=2, ~4658=2, ~4657=2 HA LEU 41 - QD1 LEU 68 lone 5 76 - 7 - 3.6/3651=3, 3.0/4464=1, ~4464=1 HA LEU 64 - QD1 LEU 68 lone 5 97 - 5 - 3207=1 HA LEU 64 - QD2 LEU 68 lone 5 95 - 5 - 3207=1 HA LEU 41 - QD2 LEU 68 lone 5 74 - 7 - 3.6/3651=3, 3.0/4464=1 HA LYS 22 - QD2 LEU 64 lone 3 75 - 3 - HA PRO 32 - QD1 LEU 68 lone 3 87 - 3 - HA PRO 32 - QD2 LEU 68 lone 2 85 - 3 - HB2 SER 12 - QD1 LEU 68 lone 2 97 - 3 - HA LEU 41 - QD2 LEU 64 lone 2 56 - 4 - 3.6/3651=2 HB2 SER 12 - QD2 LEU 68 lone 2 95 - 3 - HA LEU 68 - QD2 LEU 64 lone 1 83 - 2 - HB2 SER 12 - QD2 LEU 64 lone 1 77 - 2 - HA LYS 22 - QD1 LEU 68 lone 1 96 - 1 - HA LYS 22 - QD2 LEU 68 lone 1 94 - 1 - HA HIS 13 - QD1 LEU 68 lone 1 96 - 1 - HA HIS 13 - QD2 LEU 68 lone 1 94 - 1 - HA ASN 54 - QD1 LEU 68 lone 1 99 - 1 - HA ASN 54 - QD2 LEU 68 lone 1 97 - 1 - HA ASN 40 - QD2 LEU 68 lone 1 97 - 1 - HA ASN 40 - QD1 LEU 68 lone 1 98 - 1 - HA PRO 32 - QD2 LEU 64 lone 1 66 - 1 - HA HIS 13 - QD2 LEU 64 lone 1 75 - 1 - HA ASN 40 - QD2 LEU 64 lone 1 79 - 1 - Peak 3327 from cnoeabs.peaks (1.64, 0.86, 23.20 ppm; 3.33 A): 9 out of 9 assignments used, quality = 1.00: * HB2 LEU 68 + QD1 LEU 68 OK 100 100 - 100 - 3.1=100 HB3 LEU 68 + QD1 LEU 68 OK 100 100 - 100 - 3.1=100 HB2 LEU 68 + QD2 LEU 68 OK 99 99 - 100 - 3.1=100 HB3 LEU 68 + QD2 LEU 68 OK 99 99 - 100 - 3.1=100 HG LEU 64 + QD2 LEU 64 OK 83 83 - 100 - 2.1=100 HG LEU 68 + QD1 LEU 68 OK 81 81 - 100 - 2.1=100 HG LEU 68 + QD2 LEU 68 OK 79 79 - 100 - 2.1=100 HB3 LEU 64 + QD2 LEU 64 OK 64 64 - 100 - 3.1=100 HB2 LEU 64 + QD2 LEU 64 OK 52 52 - 100 - 3.1=100 Peak 3328 from cnoeabs.peaks (1.63, 0.86, 23.20 ppm; 3.33 A): 8 out of 8 assignments used, quality = 1.00: * HB3 LEU 68 + QD1 LEU 68 OK 100 100 - 100 - 3.1=100 HB2 LEU 68 + QD1 LEU 68 OK 100 100 - 100 - 3.1=100 HB3 LEU 68 + QD2 LEU 68 OK 99 99 - 100 - 3.1=100 HB2 LEU 68 + QD2 LEU 68 OK 99 99 - 100 - 3.1=100 HG LEU 68 + QD1 LEU 68 OK 90 90 - 100 - 2.1=100 HG LEU 68 + QD2 LEU 68 OK 89 89 - 100 - 2.1=100 HG LEU 64 + QD2 LEU 64 OK 80 80 - 100 - 2.1=100 HB3 LEU 64 + QD2 LEU 64 OK 73 73 - 100 - 3.1=100 Peak 3329 from cnoeabs.peaks (1.61, 0.86, 23.20 ppm; 3.60 A): 8 out of 8 assignments used, quality = 1.00: * HG LEU 68 + QD1 LEU 68 OK 100 100 - 100 - 2.1=100 HG LEU 68 + QD2 LEU 68 OK 99 99 - 100 - 2.1=100 HB3 LEU 68 + QD1 LEU 68 OK 90 90 - 100 - 3.1=100 HB3 LEU 68 + QD2 LEU 68 OK 89 89 - 100 - 3.1=100 HB3 LEU 64 + QD2 LEU 64 OK 83 83 - 100 - 3.1=100 HB2 LEU 68 + QD1 LEU 68 OK 81 81 - 100 - 3.1=100 HB2 LEU 68 + QD2 LEU 68 OK 79 79 - 100 - 3.1=100 HG LEU 64 + QD2 LEU 64 OK 54 54 - 100 - 2.1=100 Peak 3330 from cnoeabs.peaks (0.86, 0.86, 23.20 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * QD1 LEU 68 + QD1 LEU 68 OK 100 100 - 100 QD2 LEU 68 + QD2 LEU 68 OK 99 99 - 100 QD2 LEU 64 + QD2 LEU 64 OK 74 74 - 100 Peak 3331 from cnoeabs.peaks (0.86, 0.86, 23.20 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: QD1 LEU 68 + QD1 LEU 68 OK 100 100 - 100 QD2 LEU 68 + QD2 LEU 68 OK 99 99 - 100 QD2 LEU 64 + QD2 LEU 64 OK 78 78 - 100 Reference assignment not found: QD2 LEU 68 - QD1 LEU 68 Peak 3333 from cnoeabs.peaks (4.36, 0.86, 23.15 ppm; 3.51 A): 3 out of 27 assignments used, quality = 0.98: * HA LEU 68 + QD2 LEU 68 OK 77 100 - 77 - 3.9=72, 3207/2.1=8...(5) HA LEU 68 + QD1 LEU 68 OK 76 99 - 77 - 3.9=72, 3207/2.1=8...(5) HA LEU 64 + QD2 LEU 64 OK 68 82 - 83 - 3.9=73, ~3222=10...(8) HA ASN 54 - QD2 LEU 64 lone 6 85 - 7 - ~4659=2, ~4658=2...(4) HA LEU 64 - QD2 LEU 68 lone 5 97 - 5 - 3207=1 HA LEU 41 - QD2 LEU 68 lone 5 76 - 7 - 3.6/3651=3, 3.0/4464=1 HA LEU 64 - QD1 LEU 68 lone 5 95 - 5 - 3207=1 HA LEU 41 - QD1 LEU 68 lone 5 74 - 7 - 3.6/3651=3, 3.0/4464=1, ~4464=1 HA LYS 22 - QD2 LEU 64 lone 3 81 - 3 - HA LEU 41 - QD2 LEU 64 lone 3 61 - 4 - 3.6/3651=2 HA PRO 32 - QD2 LEU 68 lone 3 87 - 3 - HB2 SER 12 - QD2 LEU 68 lone 2 97 - 3 - HA PRO 32 - QD1 LEU 68 lone 2 85 - 3 - HB2 SER 12 - QD1 LEU 68 lone 2 95 - 3 - HA LEU 68 - QD2 LEU 64 lone 1 89 - 2 - HB2 SER 12 - QD2 LEU 64 lone 1 82 - 2 - HA LYS 22 - QD2 LEU 68 lone 1 96 - 1 - HA LYS 22 - QD1 LEU 68 lone 1 94 - 1 - HA HIS 13 - QD2 LEU 68 lone 1 96 - 1 - HA HIS 13 - QD1 LEU 68 lone 1 94 - 1 - HA ASN 54 - QD2 LEU 68 lone 1 99 - 1 - HA ASN 40 - QD2 LEU 68 lone 1 98 - 1 - HA ASN 54 - QD1 LEU 68 lone 1 97 - 1 - HA PRO 32 - QD2 LEU 64 lone 1 72 - 1 - HA ASN 40 - QD1 LEU 68 lone 1 97 - 1 - HA HIS 13 - QD2 LEU 64 lone 1 81 - 1 - HA ASN 40 - QD2 LEU 64 lone 1 85 - 1 - Peak 3334 from cnoeabs.peaks (1.64, 0.86, 23.15 ppm; 3.33 A): 9 out of 9 assignments used, quality = 1.00: * HB2 LEU 68 + QD2 LEU 68 OK 100 100 - 100 - 3.1=100 HB3 LEU 68 + QD2 LEU 68 OK 100 100 - 100 - 3.1=100 HB2 LEU 68 + QD1 LEU 68 OK 99 99 - 100 - 3.1=100 HB3 LEU 68 + QD1 LEU 68 OK 99 99 - 100 - 3.1=100 HG LEU 64 + QD2 LEU 64 OK 88 88 - 100 - 2.1=100 HG LEU 68 + QD2 LEU 68 OK 81 81 - 100 - 2.1=100 HG LEU 68 + QD1 LEU 68 OK 79 79 - 100 - 2.1=100 HB3 LEU 64 + QD2 LEU 64 OK 70 70 - 100 - 3.1=100 HB2 LEU 64 + QD2 LEU 64 OK 57 57 - 100 - 3.1=100 Peak 3335 from cnoeabs.peaks (1.63, 0.86, 23.15 ppm; 3.33 A): 8 out of 8 assignments used, quality = 1.00: * HB3 LEU 68 + QD2 LEU 68 OK 100 100 - 100 - 3.1=100 HB2 LEU 68 + QD2 LEU 68 OK 100 100 - 100 - 3.1=100 HB3 LEU 68 + QD1 LEU 68 OK 99 99 - 100 - 3.1=100 HB2 LEU 68 + QD1 LEU 68 OK 99 99 - 100 - 3.1=100 HG LEU 68 + QD2 LEU 68 OK 90 90 - 100 - 2.1=100 HG LEU 68 + QD1 LEU 68 OK 89 89 - 100 - 2.1=100 HG LEU 64 + QD2 LEU 64 OK 85 85 - 100 - 2.1=100 HB3 LEU 64 + QD2 LEU 64 OK 78 78 - 100 - 3.1=100 Peak 3336 from cnoeabs.peaks (1.61, 0.86, 23.15 ppm; 3.60 A): 8 out of 8 assignments used, quality = 1.00: * HG LEU 68 + QD2 LEU 68 OK 100 100 - 100 - 2.1=100 HG LEU 68 + QD1 LEU 68 OK 99 99 - 100 - 2.1=100 HB3 LEU 68 + QD2 LEU 68 OK 90 90 - 100 - 3.1=100 HB3 LEU 64 + QD2 LEU 64 OK 89 89 - 100 - 3.1=100 HB3 LEU 68 + QD1 LEU 68 OK 89 89 - 100 - 3.1=100 HB2 LEU 68 + QD2 LEU 68 OK 81 81 - 100 - 3.1=100 HB2 LEU 68 + QD1 LEU 68 OK 79 79 - 100 - 3.1=100 HG LEU 64 + QD2 LEU 64 OK 59 59 - 100 - 2.1=100 Peak 3337 from cnoeabs.peaks (0.86, 0.86, 23.15 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: QD2 LEU 68 + QD2 LEU 68 OK 100 100 - 100 QD1 LEU 68 + QD1 LEU 68 OK 99 99 - 100 QD2 LEU 64 + QD2 LEU 64 OK 80 80 - 100 Reference assignment not found: QD1 LEU 68 - QD2 LEU 68 Peak 3338 from cnoeabs.peaks (0.86, 0.86, 23.15 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * QD2 LEU 68 + QD2 LEU 68 OK 100 100 - 100 QD1 LEU 68 + QD1 LEU 68 OK 99 99 - 100 QD2 LEU 64 + QD2 LEU 64 OK 84 84 - 100 Peak 3339 from cnoeabs.peaks (7.90, 3.75, 45.95 ppm; 4.07 A): 2 out of 2 assignments used, quality = 1.00: * H GLY 69 + HA2 GLY 69 OK 100 100 - 100 - 3.0=100 H GLY 69 + HA3 GLY 69 OK 100 100 - 100 - 3.0=100 Peak 3340 from cnoeabs.peaks (3.75, 3.75, 45.95 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA2 GLY 69 + HA2 GLY 69 OK 100 100 - 100 HA3 GLY 69 + HA3 GLY 69 OK 100 100 - 100 Peak 3341 from cnoeabs.peaks (3.75, 3.75, 45.95 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HA2 GLY 69 + HA2 GLY 69 OK 100 100 - 100 HA3 GLY 69 + HA3 GLY 69 OK 100 100 - 100 Reference assignment not found: HA3 GLY 69 - HA2 GLY 69 Peak 3342 from cnoeabs.peaks (7.90, 3.75, 45.95 ppm; 4.07 A): 2 out of 2 assignments used, quality = 1.00: * H GLY 69 + HA3 GLY 69 OK 100 100 - 100 - 3.0=100 H GLY 69 + HA2 GLY 69 OK 100 100 - 100 - 3.0=100 Peak 3343 from cnoeabs.peaks (3.75, 3.75, 45.95 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HA3 GLY 69 + HA3 GLY 69 OK 100 100 - 100 HA2 GLY 69 + HA2 GLY 69 OK 100 100 - 100 Reference assignment not found: HA2 GLY 69 - HA3 GLY 69 Peak 3344 from cnoeabs.peaks (3.75, 3.75, 45.95 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA3 GLY 69 + HA3 GLY 69 OK 100 100 - 100 HA2 GLY 69 + HA2 GLY 69 OK 100 100 - 100 Peak 3345 from cnoeabs.peaks (8.23, 4.69, 56.00 ppm; 3.82 A): 1 out of 1 assignment used, quality = 1.00: * H MET 11 + HA HIS 10 OK 100 100 - 100 - 3.6=100 Peak 3349 from cnoeabs.peaks (9.36, 4.66, 55.35 ppm; 3.40 A): 1 out of 1 assignment used, quality = 0.92: * H SER 12 + HA MET 11 OK 92 100 - 92 - 3.6=86, 3350/3.0=20...(6) Peak 3350 from cnoeabs.peaks (9.36, 2.00, 34.98 ppm; 4.13 A): 1 out of 1 assignment used, quality = 0.96: * H SER 12 + HB2 MET 11 OK 96 100 - 96 - 4.3=88, 3349/3.0=37...(9) Peak 3351 from cnoeabs.peaks (9.36, 1.83, 34.98 ppm; 4.56 A): 1 out of 1 assignment used, quality = 1.00: * H SER 12 + HB3 MET 11 OK 100 100 - 100 - 4.3=100 Peak 3353 from cnoeabs.peaks (7.92, 4.38, 59.74 ppm; 4.67 A): 1 out of 1 assignment used, quality = 1.00: * H THR 14 + HA HIS 13 OK 100 100 - 100 - 3.6=100 Peak 3354 from cnoeabs.peaks (7.92, 3.21, 29.61 ppm; 4.47 A): 1 out of 3 assignments used, quality = 0.94: * H THR 14 + HB2 HIS 13 OK 94 100 - 94 - 4.6=89, 13/1.8=41 H LYS 42 - HB2 HIS 13 lone 2 95 - 2 - H GLY 69 - HB2 HIS 13 lone 2 89 - 2 - Peak 3355 from cnoeabs.peaks (7.92, 3.27, 29.61 ppm; 4.46 A): 1 out of 3 assignments used, quality = 0.93: * H THR 14 + HB3 HIS 13 OK 93 100 - 93 - 4.6=89, 3354/1.8=37 H LYS 42 - HB3 HIS 13 lone 2 95 - 2 - H GLY 69 - HB3 HIS 13 lone 2 89 - 2 - Peak 3357 from cnoeabs.peaks (7.51, 3.81, 65.62 ppm; 4.76 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 15 + HA THR 14 OK 100 100 - 100 - 3.6=100 Peak 3358 from cnoeabs.peaks (7.51, 4.04, 68.52 ppm; 3.90 A): 1 out of 12 assignments used, quality = 0.89: * H GLN 15 + HB THR 14 OK 89 100 - 89 - 4.2=82, 866/3.9=22...(5) QE PHE 52 - HB THR 14 lone 4 78 - 5 - 4730/4007=1, 2.2/4729=1 HD21 ASN 54 - HB THR 14 lone 3 83 - 4 - HE22 GLN 53 - HB THR 14 lone 2 100 - 2 - H TYR 28 - HB THR 14 lone 2 100 - 2 - H GLN 15 - HB THR 46 lone 2 51 - 3 - 17=1 QE PHE 52 - HB THR 46 lone 1 34 - 4 - 4702/3.0=2 H TYR 28 - HB THR 46 lone 1 51 - 2 - HE21 GLN 63 - HB THR 14 lone 1 71 - 1 - HE22 GLN 53 - HB THR 46 lone 0 50 - 1 - HD21 ASN 54 - HB THR 46 lone 0 37 - 1 - HE21 GLN 63 - HB THR 46 lone 0 30 - 1 - Peak 3359 from cnoeabs.peaks (7.51, 1.21, 21.82 ppm; 4.52 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 15 + QG2 THR 14 OK 100 100 - 100 - 4.0=100 Peak 3360 from cnoeabs.peaks (7.83, 3.79, 59.35 ppm; 4.37 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 16 + HA GLN 15 OK 100 100 - 100 - 3.6=100 Peak 3361 from cnoeabs.peaks (7.83, 2.50, 28.07 ppm; 4.41 A): 1 out of 1 assignment used, quality = 0.98: * H VAL 16 + HB2 GLN 15 OK 98 100 - 98 - 4.7=86, 3362/1.8=37...(9) Peak 3362 from cnoeabs.peaks (7.83, 1.63, 28.07 ppm; 4.56 A): 1 out of 1 assignment used, quality = 0.99: * H VAL 16 + HB3 GLN 15 OK 99 100 - 99 - 4.7=94, 3361/1.8=41...(7) Peak 3363 from cnoeabs.peaks (7.83, 2.30, 35.21 ppm; 4.30 A): 1 out of 1 assignment used, quality = 0.84: * H VAL 16 + HG2 GLN 15 OK 84 100 - 84 - 3364/1.8=40, 3361/3.0=30...(6) Peak 3364 from cnoeabs.peaks (7.83, 2.48, 35.21 ppm; 4.22 A): 1 out of 1 assignment used, quality = 0.87: * H VAL 16 + HG3 GLN 15 OK 87 100 - 87 - 3363/1.8=37, 3361/3.0=29...(10) Peak 3365 from cnoeabs.peaks (8.01, 3.23, 67.30 ppm; 4.04 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 17 + HA VAL 16 OK 100 100 - 100 - 3.6=100 Peak 3366 from cnoeabs.peaks (8.01, 2.07, 31.49 ppm; 3.60 A): 3 out of 7 assignments used, quality = 0.89: * H ILE 17 + HB VAL 16 OK 85 100 - 85 - 4.4=53, 27/3.9=20...(9) H LEU 19 + HB VAL 16 OK 17 68 - 25 - 945/3.0=7, 3368/2.1=6...(6) H LYS 22 + HB VAL 16 OK 11 83 - 13 - 3368/2.1=3, 2.9/3663=2...(6) H HIS 36 - HB VAL 16 poor 9 83 - 11 - 29=2, 27/3.9=2...(4) H ASN 40 - HB VAL 16 lone 9 99 - 9 - 3.0/3663=2, 3368/2.1=2...(5) H GLN 53 - HB VAL 16 lone 1 73 - 2 - H LYS 60 - HB VAL 16 lone 1 65 - 1 - Peak 3367 from cnoeabs.peaks (8.01, 1.01, 23.28 ppm; 4.42 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 17 + QG2 VAL 16 OK 100 100 - 100 - 4.3=100 Peak 3368 from cnoeabs.peaks (8.01, 1.03, 21.88 ppm; 4.08 A): 1 out of 7 assignments used, quality = 0.98: * H ILE 17 + QG1 VAL 16 OK 98 100 - 98 - 4.3=88, 3.0/4051=28...(13) H LEU 19 - QG1 VAL 16 OK 37 68 - 54 - 4.0/4063=12, 4.6/4120=11...(11) H LYS 22 - QG1 VAL 16 OK 20 83 - 25 - 4.5/4060=4, 4.5/4060=4...(10) H ASN 40 - QG1 VAL 16 OK 12 99 - 12 - 3366/2.1=3, 3.0/4052=3...(5) H HIS 36 - QG1 VAL 16 OK 10 83 - 12 - 3366/2.1=3, 27/4.0=2...(5) H GLN 53 - QG1 VAL 16 lone 3 73 - 5 - H LYS 60 - QG1 VAL 16 lone 1 65 - 2 - Peak 3369 from cnoeabs.peaks (7.55, 3.69, 64.32 ppm; 4.47 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 18 + HA ILE 17 OK 100 100 - 100 - 3.6=100 Peak 3370 from cnoeabs.peaks (7.55, 1.84, 37.27 ppm; 3.73 A): 3 out of 4 assignments used, quality = 0.92: * H GLU 18 + HB ILE 17 OK 88 100 - 88 - 4.5=58, 35/2.1=21...(15) H TYR 57 + HB ILE 17 OK 28 96 - 29 - 3371/2.1=7, 34=5...(7) QE PHE 52 + HB ILE 17 OK 11 76 - 14 - 4730/2.1=5, 869/4.0=3...(4) HE21 GLN 63 - HB ILE 17 lone 5 83 - 6 - 3371/2.1=1, 869/4.0=1 Peak 3371 from cnoeabs.peaks (7.55, 0.81, 17.21 ppm; 4.05 A): 1 out of 4 assignments used, quality = 0.96: * H GLU 18 + QG2 ILE 17 OK 96 100 - 97 - 4.3=81, 3.0/4076=27...(18) H TYR 57 - QG2 ILE 17 OK 35 96 - 36 - 35=10, 3370/2.1=8...(7) QE PHE 52 - QG2 ILE 17 OK 13 76 - 17 - 4730=5, 3370/2.1=3...(5) HE21 GLN 63 - QG2 ILE 17 lone 6 83 - 7 - 3370/2.1=2, 869/4.0=1...(4) Peak 3372 from cnoeabs.peaks (7.55, 1.08, 28.44 ppm; 4.77 A): 2 out of 4 assignments used, quality = 0.97: * H GLU 18 + HG12 ILE 17 OK 94 100 - 94 - 3.6/1208=38, 4.6/523=30...(13) H TYR 57 + HG12 ILE 17 OK 41 96 - 43 - 36=11, 3373/1.8=10...(7) QE PHE 52 - HG12 ILE 17 OK 15 76 - 19 - 4730/3.2=7, 3373/1.8=4...(5) HE21 GLN 63 - HG12 ILE 17 lone 8 83 - 9 - 3373/1.8=2, 3370/3.0=2...(4) Peak 3373 from cnoeabs.peaks (7.55, 1.38, 28.44 ppm; 4.76 A): 2 out of 4 assignments used, quality = 0.96: * H GLU 18 + HG13 ILE 17 OK 93 100 - 94 - 3.6/1233=37, 4.6/524=28...(13) H TYR 57 + HG13 ILE 17 OK 40 96 - 42 - 3372/1.8=10, 37=9...(8) QE PHE 52 - HG13 ILE 17 OK 14 76 - 19 - 4730/3.2=7, 3372/1.8=4...(4) HE21 GLN 63 - HG13 ILE 17 lone 7 83 - 9 - 3372/1.8=2, 3370/3.0=2...(4) Peak 3375 from cnoeabs.peaks (7.98, 4.19, 58.41 ppm; 4.41 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 19 + HA GLU 18 OK 100 100 - 100 - 3.6=100 Peak 3376 from cnoeabs.peaks (7.98, 2.00, 29.57 ppm; 4.07 A): 2 out of 12 assignments used, quality = 1.00: H LEU 19 + HB3 GLU 18 OK 94 100 - 94 - 4.3=86, 39/3.9=20...(10) * H LEU 19 + HB2 GLU 18 OK 94 100 - 94 - 4.3=86, 39/3.9=20...(10) H ILE 17 - HB2 GLU 18 OK 21 68 - 30 - 869/3.9=9, 3378/3.0=6...(7) H ILE 17 - HB3 GLU 18 OK 21 68 - 30 - 869/3.9=9, 3378/3.0=6...(7) H HIS 36 - HB2 GLU 18 lone 9 99 - 9 - 3378/3.0=3, 870/3.9=2 H HIS 36 - HB3 GLU 18 lone 9 99 - 9 - 3378/3.0=3, 870/3.9=2 H LEU 19 - HB3 GLN 63 lone 5 89 - 6 - 41=1 H LYS 60 - HB3 GLU 18 lone 4 100 - 3 - H LYS 60 - HB2 GLU 18 lone 4 100 - 3 - H ILE 17 - HB3 GLN 63 lone 2 55 - 3 - H HIS 36 - HB3 GLN 63 lone 1 88 - 1 - H LYS 60 - HB3 GLN 63 lone 1 89 - 1 - Peak 3377 from cnoeabs.peaks (7.98, 2.00, 29.57 ppm; 4.07 A): 2 out of 12 assignments used, quality = 1.00: * H LEU 19 + HB3 GLU 18 OK 94 100 - 94 - 4.3=86, 39/3.9=20...(10) H LEU 19 + HB2 GLU 18 OK 94 100 - 94 - 4.3=86, 39/3.9=20...(10) H ILE 17 - HB2 GLU 18 OK 21 68 - 30 - 869/3.9=9, 3378/3.0=6...(7) H ILE 17 - HB3 GLU 18 OK 21 68 - 30 - 869/3.9=9, 3378/3.0=6...(7) H HIS 36 - HB2 GLU 18 lone 9 99 - 9 - 3378/3.0=3, 870/3.9=2 H HIS 36 - HB3 GLU 18 lone 9 99 - 9 - 3378/3.0=3, 870/3.9=2 H LEU 19 - HB3 GLN 63 lone 5 89 - 6 - 41=1 H LYS 60 - HB3 GLU 18 lone 4 100 - 3 - H LYS 60 - HB2 GLU 18 lone 4 100 - 3 - H ILE 17 - HB3 GLN 63 lone 2 55 - 3 - H HIS 36 - HB3 GLN 63 lone 1 88 - 1 - H LYS 60 - HB3 GLN 63 lone 1 89 - 1 - Peak 3378 from cnoeabs.peaks (7.98, 2.28, 35.25 ppm; 5.25 A): 3 out of 4 assignments used, quality = 0.82: * H LEU 19 + HG2 GLU 18 OK 66 100 - 66 - 4.7/1264=26, 44/1.8=17...(9) H ILE 17 + HG2 GLU 18 OK 34 68 - 51 - 4.6/1264=26, ~4068=8...(8) H HIS 36 + HG2 GLU 18 OK 18 99 - 18 - 3.7/4361=6, 3379/1.8=3...(6) H LYS 60 - HG2 GLU 18 lone 6 100 - 6 - 3379/1.8=1 Peak 3379 from cnoeabs.peaks (7.98, 2.41, 35.25 ppm; 5.08 A): 4 out of 12 assignments used, quality = 0.95: * H LEU 19 + HG3 GLU 18 OK 80 100 - 80 - 3.6/1251=26, 39/4.9=23...(11) H ILE 17 + HG3 GLU 18 OK 38 68 - 56 - 4.6/1270=18, 4.0/4073=12...(12) H LEU 19 + HG3 GLU 20 OK 36 66 - 54 - 871/5.0=27, 44=11...(9) H ILE 17 + HG3 GLU 20 OK 33 38 - 86 - ~4121=26, ~3687=21...(13) H HIS 36 - HG3 GLU 18 OK 19 99 - 19 - 3378/1.8=6, 3.6/4356=3...(6) H HIS 36 - HG3 GLN 47 poor 8 58 - 14 - 3.6/4356=5, 886/5.1=3...(4) H LEU 19 - HG3 GLN 47 poor 8 60 - 13 - 44=3, 4.7/531=2, 3.6/1251=2 H LYS 60 - HG3 GLU 18 lone 6 100 - 6 - 3378/1.8=2 H ILE 17 - HG3 GLN 47 poor 5 34 - 14 - 4.0/4073=3, 4.0/4069=3...(5) H HIS 36 - HG3 GLU 20 lone 5 65 - 7 - 987/5.0=3, 3.6/4356=1 H LYS 60 - HG3 GLU 20 lone 2 66 - 3 - H LYS 60 - HG3 GLN 47 lone 1 60 - 2 - Peak 3380 from cnoeabs.peaks (8.41, 3.64, 58.54 ppm; 4.74 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 20 + HA LEU 19 OK 100 100 - 100 - 3.6=100 Peak 3381 from cnoeabs.peaks (8.41, 0.71, 37.72 ppm; 4.62 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 20 + HB2 LEU 19 OK 100 100 - 100 - 4.4=100 Peak 3384 from cnoeabs.peaks (8.41, 0.53, 23.51 ppm; 4.97 A): 2 out of 4 assignments used, quality = 0.95: * H GLU 20 + QD2 LEU 19 OK 94 100 - 94 - 50=47, 3.6/1281=44...(13) H ALA 38 + QD2 LEU 19 OK 16 65 - 25 - 161/4378=7, 160/4374=6...(6) H GLU 67 - QD2 LEU 19 lone 6 97 - 6 - 871/4.7=2, 4.0/4771=1 H LEU 64 - QD2 LEU 19 lone 2 71 - 3 - Peak 3386 from cnoeabs.peaks (8.31, 4.22, 59.07 ppm; 4.50 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 21 + HA GLU 20 OK 100 100 - 100 - 3.6=100 Peak 3387 from cnoeabs.peaks (8.31, 2.16, 28.89 ppm; 3.92 A): 1 out of 8 assignments used, quality = 0.96: * H ARG 21 + HB2 GLU 20 OK 96 100 - 96 - 4.1=87, 55/1.8=28...(7) H ASN 54 - HB2 GLN 53 OK 33 37 - 90 - 4.4=71, 268/1.8=28...(10) H ASN 54 - HB2 GLU 20 OK 15 89 - 16 - 267=4, 3389/3.0=3...(5) H ARG 21 - HB2 GLN 53 poor 10 47 - 20 - 54=6, 873/4.0=4...(7) H LEU 43 - HB2 GLU 20 lone 5 89 - 6 - 872/4.0=2, 3389/3.0=1 H LYS 62 - HB2 GLU 20 lone 4 97 - 4 - H LYS 62 - HB2 GLN 53 lone 2 43 - 3 - H LEU 43 - HB2 GLN 53 lone 1 37 - 2 - Peak 3388 from cnoeabs.peaks (8.31, 2.04, 28.89 ppm; 4.26 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 21 + HB3 GLU 20 OK 100 100 - 100 - 4.1=100 Peak 3389 from cnoeabs.peaks (8.31, 2.46, 35.40 ppm; 5.22 A): 2 out of 4 assignments used, quality = 0.92: * H ARG 21 + HG2 GLU 20 OK 90 100 - 90 - 56=35, 3.6/1322=34...(7) H ASN 54 + HG2 GLU 20 OK 20 89 - 22 - 269/1.8=5, 872/5.0=4...(8) H LEU 43 - HG2 GLU 20 lone 8 89 - 9 - 872/5.0=3, 3390/1.8=2 H LYS 62 - HG2 GLU 20 lone 6 97 - 6 - 3390/1.8=1, 872/5.0=1 Peak 3390 from cnoeabs.peaks (8.31, 2.42, 35.40 ppm; 5.81 A): 2 out of 8 assignments used, quality = 0.96: * H ARG 21 + HG3 GLU 20 OK 92 100 - 92 - 56/1.8=35, 55/3.0=33...(12) H ARG 21 + HG3 GLU 18 OK 49 66 - 75 - 3692/3.9=36, 4134/4.9=27...(12) H ASN 54 - HG3 GLU 20 OK 24 89 - 27 - 3389/1.8=8, 872/5.0=5...(6) H LEU 43 - HG3 GLU 20 OK 11 89 - 12 - 872/5.0=3, 3389/1.8=3 H LYS 62 - HG3 GLU 20 lone 9 97 - 9 - 3389/1.8=2, 872/5.0=1 H LEU 43 - HG3 GLU 18 poor 7 53 - 14 - 3692/3.9=4, 4471/4093=2...(4) H ASN 54 - HG3 GLU 18 lone 4 53 - 8 - 3692/3.9=3 H LYS 62 - HG3 GLU 18 lone 3 62 - 5 - 3692/3.9=2 Peak 3391 from cnoeabs.peaks (8.03, 4.07, 59.55 ppm; 3.92 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 22 + HA ARG 21 OK 100 100 - 100 - 3.6=100 Peak 3392 from cnoeabs.peaks (8.03, 1.97, 30.19 ppm; 3.54 A): 2 out of 18 assignments used, quality = 0.93: * H LYS 22 + HB2 ARG 21 OK 74 100 - 74 - 4.5=50, 58/4.0=13...(9) H LYS 22 + HB3 ARG 21 OK 74 100 - 74 - 4.5=50, 58/4.0=13...(9) H ILE 17 - HB2 ARG 21 OK 25 83 - 30 - 873/4.0=6, 4.0/4809=5...(11) H ILE 17 - HB3 ARG 21 OK 24 82 - 30 - 873/4.0=6, 4.0/4809=5...(11) H ASN 40 - HB2 ARG 21 lone 9 96 - 9 - 1005/3.0=2, 3394/3.0=2...(4) H ASN 40 - HB3 ARG 21 lone 9 95 - 9 - 1005/3.0=2, 3394/3.0=2...(4) H GLN 53 - HB2 ARG 21 lone 7 100 - 7 - 903/4.0=3, 3394/3.0=1 H GLN 53 - HB3 ARG 21 lone 7 99 - 7 - 903/4.0=3, 3394/3.0=1 H LEU 41 - HB2 ARG 21 poor 7 65 - 11 - 1007/3.0=2, 668/3.0=2...(7) H LEU 41 - HB3 ARG 21 poor 7 64 - 11 - 1007/3.0=2, 668/3.0=2...(7) H GLN 47 - HB2 ARG 21 lone 6 78 - 8 - 217/3.0=1, 873/4.0=1 H GLN 47 - HB3 ARG 21 lone 6 77 - 8 - 217/3.0=1, 873/4.0=1 H LYS 22 - HB3 GLU 67 lone 6 74 - 8 - 959/4.0=2, 962/4.7=2, 560=1 H ILE 17 - HB3 GLU 67 lone 2 54 - 3 - H GLN 53 - HB3 GLU 67 lone 1 73 - 2 - H ASN 40 - HB3 GLU 67 lone 1 66 - 1 - H GLN 47 - HB3 GLU 67 lone 1 51 - 2 - H LEU 41 - HB3 GLU 67 lone 1 41 - 2 - Peak 3393 from cnoeabs.peaks (8.03, 1.97, 30.19 ppm; 3.54 A): 2 out of 18 assignments used, quality = 0.93: * H LYS 22 + HB3 ARG 21 OK 74 100 - 74 - 4.5=50, 58/4.0=13...(9) H LYS 22 + HB2 ARG 21 OK 74 100 - 74 - 4.5=50, 58/4.0=13...(9) H ILE 17 - HB3 ARG 21 OK 25 83 - 30 - 873/4.0=6, 4.0/4809=5...(12) H ILE 17 - HB2 ARG 21 OK 24 82 - 30 - 873/4.0=6, 4.0/4809=5...(12) H ASN 40 - HB3 ARG 21 lone 9 96 - 9 - 1005/3.0=2, 3394/3.0=2...(4) H ASN 40 - HB2 ARG 21 lone 9 95 - 9 - 1005/3.0=2, 3394/3.0=2...(4) H GLN 53 - HB2 ARG 21 lone 7 99 - 7 - 903/4.0=3, 3394/3.0=1 H GLN 53 - HB3 ARG 21 lone 7 100 - 7 - 903/4.0=3, 3394/3.0=1 H LEU 41 - HB3 ARG 21 poor 7 65 - 11 - 1007/3.0=2, 668/3.0=2...(7) H LEU 41 - HB2 ARG 21 poor 7 64 - 11 - 1007/3.0=2, 668/3.0=2...(7) H GLN 47 - HB3 ARG 21 lone 6 78 - 8 - 217/3.0=1, 873/4.0=1 H GLN 47 - HB2 ARG 21 lone 6 77 - 8 - 217/3.0=1, 873/4.0=1 H LYS 22 - HB3 GLU 67 lone 5 68 - 8 - 959/4.0=2, 962/4.7=2, 60=1 H ILE 17 - HB3 GLU 67 lone 1 49 - 3 - H GLN 53 - HB3 GLU 67 lone 1 67 - 2 - H ASN 40 - HB3 GLU 67 lone 1 61 - 1 - H GLN 47 - HB3 GLU 67 lone 1 46 - 2 - H LEU 41 - HB3 GLU 67 lone 1 37 - 2 - Peak 3394 from cnoeabs.peaks (8.03, 1.86, 27.31 ppm; 4.88 A): 6 out of 6 assignments used, quality = 0.93: * H LYS 22 + HG2 ARG 21 OK 76 100 - 77 - 3.6/1373=27, 4.6/1372=22...(8) H ILE 17 + HG2 ARG 21 OK 40 83 - 49 - 4.0/4807=18, 873/4.7=9...(11) H ASN 40 + HG2 ARG 21 OK 24 96 - 24 - 3.9/4425=3, 4.6/668=3...(9) H LEU 41 + HG2 ARG 21 OK 15 65 - 23 - 4.2/4425=3, 4.2/4428=3...(10) H GLN 53 + HG2 ARG 21 OK 14 100 - 14 - 903/4.7=5, 3395/1.8=2...(6) H GLN 47 + HG2 ARG 21 OK 10 78 - 13 - 217/3.9=2, 3395/1.8=2...(6) Peak 3395 from cnoeabs.peaks (8.03, 1.60, 27.31 ppm; 4.97 A): 8 out of 18 assignments used, quality = 0.95: * H LYS 22 + HG3 ARG 21 OK 71 100 - 71 - 58/4.7=21, 3.6/1381=21...(8) H ILE 17 + HG3 ARG 21 OK 36 83 - 44 - 4.0/4808=17, 3394/1.8=9...(7) H LYS 22 + HG2 ARG 61 OK 30 96 - 31 - 63=7, 63/1.8=6...(9) H LYS 22 + HG3 ARG 61 OK 30 94 - 31 - 63=7, 63/1.8=6...(9) H ASN 40 + HG3 ARG 21 OK 19 96 - 19 - 3394/1.8=5, 1005/3.9=3...(7) H GLN 53 + HG3 ARG 21 OK 14 100 - 13 - 903/4.7=5, 3394/1.8=3...(4) H GLN 47 + HG3 ARG 21 OK 11 78 - 14 - 3394/1.8=2, 217/3.9=2...(6) H LEU 41 + HG3 ARG 21 OK 11 65 - 17 - 3394/1.8=3, 4434/4.7=3...(7) H GLN 47 - HG2 ARG 61 lone 6 71 - 9 - 3.6/4534=2, 4.5/1381=1 H GLN 47 - HG3 ARG 61 lone 6 69 - 9 - 3.6/4534=2, 4.5/1381=1 H ASN 40 - HG2 ARG 61 lone 4 89 - 4 - H ASN 40 - HG3 ARG 61 lone 4 87 - 4 - H GLN 53 - HG2 ARG 61 lone 3 95 - 3 - H GLN 53 - HG3 ARG 61 lone 3 93 - 3 - H LEU 41 - HG2 ARG 61 lone 2 58 - 4 - H ILE 17 - HG2 ARG 61 lone 2 75 - 3 - H ILE 17 - HG3 ARG 61 lone 2 73 - 3 - H LEU 41 - HG3 ARG 61 lone 2 57 - 4 - Peak 3398 from cnoeabs.peaks (8.99, 4.35, 57.92 ppm; 4.35 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 23 + HA LYS 22 OK 100 100 - 100 - 3.6=100 Peak 3399 from cnoeabs.peaks (8.99, 2.06, 30.62 ppm; 4.89 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 23 + HB2 LYS 22 OK 100 100 - 100 - 4.3=100 Peak 3400 from cnoeabs.peaks (8.99, 2.38, 30.62 ppm; 4.67 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 23 + HB3 LYS 22 OK 100 100 - 100 - 4.3=100 Peak 3408 from cnoeabs.peaks (8.13, 3.15, 39.32 ppm; 4.32 A): 2 out of 5 assignments used, quality = 0.98: * H SER 24 + HB2 PHE 23 OK 95 100 - 95 - 4.6=85, 79/1.8=35...(7) H LYS 27 + HB2 PHE 23 OK 47 99 - 48 - ~4202=18, ~4629=16...(5) H THR 46 - HB2 PHE 23 OK 19 92 - 20 - 4799/2.9=6, 4632/2.4=4...(5) H LEU 68 - HB2 PHE 23 lone 8 92 - 8 - 3.0/3834=2, 3409/1.8=2...(5) H ALA 35 - HB2 PHE 23 lone 6 73 - 8 - 875/4.0=3, 3409/1.8=1 Peak 3409 from cnoeabs.peaks (8.13, 3.08, 39.32 ppm; 4.50 A): 2 out of 5 assignments used, quality = 0.99: * H SER 24 + HB3 PHE 23 OK 99 100 - 99 - 4.6=96, 78/1.8=40...(7) H LYS 27 + HB3 PHE 23 OK 50 99 - 51 - ~4202=20, ~4629=18...(5) H THR 46 - HB3 PHE 23 OK 20 92 - 22 - 4799/2.9=6, 4632/2.4=5...(5) H LEU 68 - HB3 PHE 23 lone 9 92 - 9 - 3408/1.8=2, 3.0/3832=2...(5) H ALA 35 - HB3 PHE 23 lone 6 73 - 9 - 875/4.0=3, 3408/1.8=1 Peak 3412 from cnoeabs.peaks (7.63, 4.08, 61.10 ppm; 4.78 A): 1 out of 1 assignment used, quality = 1.00: * H HIS 25 + HA SER 24 OK 100 100 - 100 - 3.6=100 Peak 3413 from cnoeabs.peaks (7.63, 3.97, 63.03 ppm; 4.42 A): 2 out of 2 assignments used, quality = 1.00: * H HIS 25 + HB2 SER 24 OK 100 100 - 100 - 4.4=100 H HIS 25 + HB3 SER 24 OK 100 100 - 100 - 4.4=100 Peak 3414 from cnoeabs.peaks (7.63, 3.97, 63.03 ppm; 4.42 A): 2 out of 2 assignments used, quality = 1.00: * H HIS 25 + HB3 SER 24 OK 100 100 - 100 - 4.4=100 H HIS 25 + HB2 SER 24 OK 100 100 - 100 - 4.4=100 Peak 3415 from cnoeabs.peaks (8.51, 4.70, 56.95 ppm; 5.57 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 26 + HA HIS 25 OK 100 100 - 100 - 3.6=100 Peak 3416 from cnoeabs.peaks (8.51, 3.37, 31.20 ppm; 4.22 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 26 + HB2 HIS 25 OK 100 100 - 100 - 4.2=100 Peak 3417 from cnoeabs.peaks (8.51, 3.31, 31.20 ppm; 4.32 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 26 + HB3 HIS 25 OK 100 100 - 100 - 4.2=100 Peak 3419 from cnoeabs.peaks (8.12, 4.49, 55.44 ppm; 3.38 A): 2 out of 4 assignments used, quality = 0.93: * H LYS 27 + HA GLN 26 OK 92 100 - 92 - 3.6=85, 91/2.9=12...(7) H SER 24 + HA GLN 26 OK 14 99 - 15 - 878/2.9=6, 3420/3.0=2...(6) H THR 46 - HA GLN 26 lone 2 78 - 2 - H LEU 68 - HA GLN 26 lone 1 78 - 2 - Peak 3420 from cnoeabs.peaks (8.12, 2.02, 31.80 ppm; 4.36 A): 2 out of 12 assignments used, quality = 1.00: * H LYS 27 + HB2 GLN 26 OK 96 100 - 96 - 4.7=83, 92/3.0=44...(7) H LYS 27 + HB3 GLN 26 OK 96 100 - 96 - 4.7=83, 92/3.0=44...(7) H SER 24 - HB2 GLN 26 OK 26 99 - 27 - 878/3.9=9, 3419/3.0=5...(6) H SER 24 - HB3 GLN 26 OK 26 99 - 27 - 878/3.9=9, 3419/3.0=5...(6) H SER 24 - HB3 ARG 56 lone 4 70 - 6 - 3713/3.0=4 H THR 46 - HB2 GLN 26 lone 4 78 - 4 - H THR 46 - HB3 GLN 26 lone 4 78 - 4 - H LYS 27 - HB3 ARG 56 lone 3 72 - 5 - 3713/3.0=2 H LEU 68 - HB3 GLN 26 lone 3 78 - 3 - H LEU 68 - HB2 GLN 26 lone 3 78 - 3 - H THR 46 - HB3 ARG 56 lone 2 49 - 3 - 3713/3.0=1 H LEU 68 - HB3 ARG 56 lone 1 49 - 2 - Peak 3421 from cnoeabs.peaks (8.12, 2.02, 31.80 ppm; 4.36 A): 2 out of 12 assignments used, quality = 1.00: H LYS 27 + HB2 GLN 26 OK 96 100 - 96 - 4.7=83, 92/3.0=44...(7) * H LYS 27 + HB3 GLN 26 OK 96 100 - 96 - 4.7=83, 92/3.0=44...(7) H SER 24 - HB2 GLN 26 OK 26 99 - 27 - 878/3.9=9, 3419/3.0=5...(6) H SER 24 - HB3 GLN 26 OK 26 99 - 27 - 878/3.9=9, 3419/3.0=5...(6) H SER 24 - HB3 ARG 56 lone 4 70 - 6 - 3713/3.0=4 H THR 46 - HB2 GLN 26 lone 4 78 - 4 - H THR 46 - HB3 GLN 26 lone 4 78 - 4 - H LYS 27 - HB3 ARG 56 lone 3 72 - 5 - 3713/3.0=2 H LEU 68 - HB3 GLN 26 lone 3 78 - 3 - H LEU 68 - HB2 GLN 26 lone 3 78 - 3 - H THR 46 - HB3 ARG 56 lone 2 49 - 3 - 3713/3.0=1 H LEU 68 - HB3 ARG 56 lone 1 49 - 2 - Peak 3422 from cnoeabs.peaks (8.12, 2.29, 34.10 ppm; 4.72 A): 2 out of 8 assignments used, quality = 1.00: * H LYS 27 + HG2 GLN 26 OK 98 100 - 98 - 4.9=89, 92/3.9=41...(8) H LYS 27 + HG3 GLN 26 OK 98 100 - 98 - 4.9=89, 92/3.9=41...(8) H SER 24 - HG2 GLN 26 OK 29 99 - 29 - 878/4.9=8, 876/3.5=6...(6) H SER 24 - HG3 GLN 26 OK 29 99 - 29 - 878/4.9=8, 876/3.5=6...(6) H THR 46 - HG2 GLN 26 lone 4 78 - 5 - H THR 46 - HG3 GLN 26 lone 4 78 - 5 - H LEU 68 - HG2 GLN 26 lone 4 78 - 4 - H LEU 68 - HG3 GLN 26 lone 4 78 - 4 - Peak 3423 from cnoeabs.peaks (8.12, 2.29, 34.10 ppm; 4.72 A): 2 out of 8 assignments used, quality = 1.00: * H LYS 27 + HG3 GLN 26 OK 98 100 - 98 - 4.9=89, 92/3.9=41...(8) H LYS 27 + HG2 GLN 26 OK 98 100 - 98 - 4.9=89, 92/3.9=41...(8) H SER 24 - HG3 GLN 26 OK 29 99 - 29 - 878/4.9=8, 876/3.5=6...(6) H SER 24 - HG2 GLN 26 OK 29 99 - 29 - 878/4.9=8, 876/3.5=6...(6) H THR 46 - HG3 GLN 26 lone 4 78 - 5 - H THR 46 - HG2 GLN 26 lone 4 78 - 5 - H LEU 68 - HG3 GLN 26 lone 4 78 - 4 - H LEU 68 - HG2 GLN 26 lone 4 78 - 4 - Peak 3424 from cnoeabs.peaks (7.50, 3.90, 56.76 ppm; 3.93 A): 1 out of 1 assignment used, quality = 1.00: * H TYR 28 + HA LYS 27 OK 100 100 - 100 - 3.6=100 Peak 3425 from cnoeabs.peaks (7.50, 1.42, 32.95 ppm; 4.89 A): 1 out of 1 assignment used, quality = 1.00: * H TYR 28 + HB2 LYS 27 OK 100 100 - 100 - 4.1=100 Peak 3426 from cnoeabs.peaks (7.50, 1.56, 32.95 ppm; 4.65 A): 1 out of 1 assignment used, quality = 1.00: * H TYR 28 + HB3 LYS 27 OK 100 100 - 100 - 4.1=100 Peak 3433 from cnoeabs.peaks (8.50, 4.72, 56.38 ppm; 4.07 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 29 + HA TYR 28 OK 100 100 - 100 - 3.6=100 Peak 3434 from cnoeabs.peaks (8.50, 2.95, 41.18 ppm; 4.56 A): 1 out of 2 assignments used, quality = 0.98: * H LEU 29 + HB2 TYR 28 OK 98 100 - 98 - 4.7=94, 110/3.0=42...(4) H GLN 26 - HB2 TYR 28 lone 2 100 - 2 - 1751/4243=1 Peak 3435 from cnoeabs.peaks (8.50, 2.72, 41.18 ppm; 4.94 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 29 + HB3 TYR 28 OK 100 100 - 100 - 4.7=100 Peak 3438 from cnoeabs.peaks (8.98, 4.58, 53.06 ppm; 3.14 A): 1 out of 2 assignments used, quality = 0.81: * H SER 30 + HA LEU 29 OK 81 100 - 81 - 3.6=68, 117/3.0=16...(6) H PHE 23 - HA LEU 29 lone 7 90 - 8 - 3443/4.0=4, 3439/3.0=2 Peak 3439 from cnoeabs.peaks (8.98, 1.24, 44.31 ppm; 4.27 A): 1 out of 2 assignments used, quality = 0.99: * H SER 30 + HB2 LEU 29 OK 99 100 - 99 - 4.4=93, 3438/3.0=37...(9) H PHE 23 - HB2 LEU 29 OK 17 90 - 19 - 3443/3.1=10, 3438/3.0=3...(4) Peak 3440 from cnoeabs.peaks (8.98, 1.46, 44.31 ppm; 4.52 A): 1 out of 1 assignment used, quality = 1.00: * H SER 30 + HB3 LEU 29 OK 100 100 - 100 - 4.4=100 Peak 3443 from cnoeabs.peaks (8.98, 0.46, 23.31 ppm; 4.49 A): 2 out of 2 assignments used, quality = 0.97: * H SER 30 + QD2 LEU 29 OK 94 100 - 94 - 121=50, 3.6/1722=37...(14) H PHE 23 + QD2 LEU 29 OK 51 90 - 56 - 5.0/4155=22, 5.0/4153=22...(11) Peak 3444 from cnoeabs.peaks (9.18, 4.55, 56.86 ppm; 3.83 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 31 + HA SER 30 OK 100 100 - 100 - 3.6=100 Peak 3445 from cnoeabs.peaks (9.18, 4.01, 64.90 ppm; 4.89 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 31 + HB2 SER 30 OK 100 100 - 100 - 4.4=100 Peak 3446 from cnoeabs.peaks (9.18, 4.22, 64.90 ppm; 4.50 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 31 + HB3 SER 30 OK 100 100 - 100 - 4.4=100 Peak 3447 from cnoeabs.peaks (7.21, 3.91, 50.04 ppm; 4.31 A): 1 out of 1 assignment used, quality = 0.91: * H GLU 33 + HD2 PRO 32 OK 91 100 - 91 - 131=41, 3448/1.8=34...(8) Peak 3448 from cnoeabs.peaks (7.21, 3.80, 50.04 ppm; 4.65 A): 1 out of 1 assignment used, quality = 0.88: * H GLU 33 + HD3 PRO 32 OK 88 100 - 88 - 3447/1.8=43, 3453/2.3=37...(7) Peak 3449 from cnoeabs.peaks (7.21, 4.38, 65.82 ppm; 4.60 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 33 + HA PRO 32 OK 100 100 - 100 - 3.5=100 Peak 3450 from cnoeabs.peaks (7.21, 1.80, 30.88 ppm; 4.52 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 33 + HB2 PRO 32 OK 100 100 - 100 - 3.6=100 Peak 3451 from cnoeabs.peaks (7.21, 2.31, 30.88 ppm; 3.86 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 33 + HB3 PRO 32 OK 100 100 - 100 - 3.6=100 Peak 3452 from cnoeabs.peaks (7.21, 1.98, 28.38 ppm; 4.99 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 33 + HG2 PRO 32 OK 100 100 - 100 - 5.0=100 Peak 3453 from cnoeabs.peaks (7.21, 2.10, 28.38 ppm; 4.54 A): 1 out of 1 assignment used, quality = 0.95: * H GLU 33 + HG3 PRO 32 OK 95 100 - 95 - 5.0=75, 3447/2.3=38...(6) Peak 3454 from cnoeabs.peaks (8.73, 4.07, 58.90 ppm; 4.29 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 34 + HA GLU 33 OK 100 100 - 100 - 3.6=100 Peak 3455 from cnoeabs.peaks (8.73, 1.88, 30.88 ppm; 4.02 A): 1 out of 1 assignment used, quality = 0.94: * H ARG 34 + HB2 GLU 33 OK 94 100 - 94 - 4.6=65, 133/4.0=28...(14) Peak 3456 from cnoeabs.peaks (8.73, 2.32, 30.88 ppm; 4.46 A): 2 out of 2 assignments used, quality = 0.99: * H ARG 34 + HB3 GLU 33 OK 98 100 - 98 - 4.6=89, 3455/1.8=44...(12) H ARG 34 + HB3 PRO 32 OK 65 94 - 69 - 133/3.6=36, 3726/2.3=25...(12) Peak 3457 from cnoeabs.peaks (8.73, 2.32, 37.36 ppm; 5.32 A): 1 out of 1 assignment used, quality = 0.95: * H ARG 34 + HG2 GLU 33 OK 95 100 - 95 - 3455/3.0=44, 3458/1.8=44...(13) Peak 3458 from cnoeabs.peaks (8.73, 2.23, 37.36 ppm; 5.01 A): 1 out of 1 assignment used, quality = 0.95: * H ARG 34 + HG3 GLU 33 OK 95 100 - 95 - 138=42, 3455/3.0=42...(8) Peak 3459 from cnoeabs.peaks (8.15, 3.79, 59.87 ppm; 4.61 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 35 + HA ARG 34 OK 100 100 - 100 - 3.6=100 Peak 3460 from cnoeabs.peaks (8.15, 1.94, 29.95 ppm; 3.88 A): 2 out of 5 assignments used, quality = 0.93: * H ALA 35 + HB2 ARG 34 OK 91 100 - 91 - 4.3=73, 139/3.9=28...(10) H THR 46 + HB2 ARG 34 OK 24 98 - 25 - 3461/1.8=6, 3462/3.0=5...(8) H SER 24 - HB2 ARG 34 poor 9 73 - 11 - 4.6/4829=6, 884/3.9=1 H LEU 68 - HB2 ARG 34 lone 6 98 - 6 - 3461/1.8=2, 884/3.9=2 H ARG 61 - HB2 ARG 34 lone 4 81 - 5 - 3461/1.8=1 Peak 3461 from cnoeabs.peaks (8.15, 1.86, 29.95 ppm; 4.16 A): 1 out of 5 assignments used, quality = 0.97: * H ALA 35 + HB3 ARG 34 OK 97 100 - 97 - 4.3=90, 139/3.9=31...(11) H THR 46 - HB3 ARG 34 OK 26 98 - 27 - 3460/1.8=7, 3462/3.0=6...(7) H LEU 68 - HB3 ARG 34 lone 7 98 - 7 - 3460/1.8=2, 884/3.9=2 H SER 24 - HB3 ARG 34 lone 6 73 - 8 - 3460/1.8=3, 884/3.9=2 H ARG 61 - HB3 ARG 34 lone 5 81 - 6 - 3460/1.8=1, 884/3.9=1 Peak 3462 from cnoeabs.peaks (8.15, 1.34, 28.15 ppm; 5.28 A): 2 out of 10 assignments used, quality = 0.96: * H ALA 35 + HG2 ARG 34 OK 90 100 - 90 - 139/4.9=36, 3460/3.0=31...(13) H THR 46 + HG2 ARG 34 OK 59 98 - 61 - 3.6/4511=16, 4.6/4510=10...(13) H THR 46 - HD3 LYS 27 OK 16 52 - 31 - ~1647=7, 701/1.8=6...(11) H LEU 68 - HG2 ARG 34 lone 10 98 - 10 - 3460/3.0=2, 3461/3.0=2 H ARG 61 - HG2 ARG 34 lone 7 81 - 9 - 3461/3.0=2, 3460/3.0=1 H SER 24 - HG2 ARG 34 lone 7 73 - 10 - 3460/3.0=3, 884/4.9=2 H ALA 35 - HD3 LYS 27 poor 6 56 - 10 - 143=2, 4.6/626=2...(4) H SER 24 - HD3 LYS 27 lone 3 34 - 8 - 1626/2.9=2, 1646/1.8=1...(4) H LEU 68 - HD3 LYS 27 lone 2 52 - 4 - H ARG 61 - HD3 LYS 27 lone 1 38 - 2 - Peak 3466 from cnoeabs.peaks (7.99, 3.98, 55.19 ppm; 4.39 A): 1 out of 1 assignment used, quality = 1.00: * H HIS 36 + HA ALA 35 OK 100 100 - 100 - 3.6=100 Peak 3467 from cnoeabs.peaks (7.99, 1.49, 17.89 ppm; 3.28 A): 1 out of 5 assignments used, quality = 0.80: * H HIS 36 + QB ALA 35 OK 80 100 - 80 - 3.7=68, 147/2.9=19...(7) H ILE 17 - QB ALA 35 lone 7 83 - 9 - 149=3, 885/2.9=3 H LEU 19 - QB ALA 35 lone 7 99 - 7 - 885/2.9=2, 946/4.8=2 H ASN 40 - QB ALA 35 lone 5 63 - 8 - 3.0/3729=2, 885/2.9=2 H LYS 60 - QB ALA 35 lone 1 99 - 1 - Peak 3468 from cnoeabs.peaks (8.07, 4.32, 59.41 ppm; 4.19 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 37 + HA HIS 36 OK 100 100 - 100 - 3.6=100 Peak 3469 from cnoeabs.peaks (8.07, 3.19, 30.63 ppm; 3.38 A): 2 out of 12 assignments used, quality = 0.87: H LEU 37 + HB3 HIS 36 OK 64 100 - 64 - 4.6=39, 152/1.8=19...(8) * H LEU 37 + HB2 HIS 36 OK 64 100 - 64 - 4.6=39, 152/1.8=19...(8) H LEU 41 - HB2 HIS 36 lone 7 97 - 8 - 886/4.0=3 H LEU 41 - HB3 HIS 36 lone 7 97 - 8 - 886/4.0=3 H GLN 47 - HB2 HIS 36 lone 4 92 - 4 - 886/4.0=2 H GLN 47 - HB3 HIS 36 lone 4 92 - 4 - 886/4.0=2 H LEU 37 - HB2 HIS 10 lone 2 81 - 2 - H ARG 55 - HB2 HIS 36 lone 2 99 - 1 - H ARG 55 - HB3 HIS 36 lone 2 99 - 1 - H LEU 41 - HB2 HIS 10 lone 1 75 - 1 - H GLN 47 - HB2 HIS 10 lone 0 69 - 1 - H ARG 55 - HB2 HIS 10 lone 0 77 - 1 - Peak 3470 from cnoeabs.peaks (8.07, 3.19, 30.63 ppm; 3.38 A): 2 out of 12 assignments used, quality = 0.87: * H LEU 37 + HB3 HIS 36 OK 64 100 - 64 - 4.6=39, 152/1.8=19...(8) H LEU 37 + HB2 HIS 36 OK 64 100 - 64 - 4.6=39, 152/1.8=19...(8) H LEU 41 - HB2 HIS 36 lone 7 97 - 8 - 886/4.0=3 H LEU 41 - HB3 HIS 36 lone 7 97 - 8 - 886/4.0=3 H GLN 47 - HB2 HIS 36 lone 4 92 - 4 - 886/4.0=2 H GLN 47 - HB3 HIS 36 lone 4 92 - 4 - 886/4.0=2 H LEU 37 - HB2 HIS 10 lone 2 84 - 2 - H ARG 55 - HB2 HIS 36 lone 2 99 - 1 - H ARG 55 - HB3 HIS 36 lone 2 99 - 1 - H LEU 41 - HB2 HIS 10 lone 1 78 - 1 - H GLN 47 - HB2 HIS 10 lone 1 72 - 1 - H ARG 55 - HB2 HIS 10 lone 0 80 - 1 - Peak 3472 from cnoeabs.peaks (8.44, 4.06, 57.84 ppm; 4.32 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 38 + HA LEU 37 OK 100 100 - 100 - 3.6=100 Peak 3473 from cnoeabs.peaks (8.44, 1.66, 42.65 ppm; 3.86 A): 3 out of 4 assignments used, quality = 0.95: * H ALA 38 + HB2 LEU 37 OK 93 100 - 93 - 4.4=66, 3474/1.8=31...(12) H GLU 20 + HB2 LEU 37 OK 16 65 - 24 - 3474/1.8=6, 3477/3.1=5...(5) H ALA 38 + HB2 LEU 64 OK 10 82 - 12 - 157=3, 160/3.1=2...(5) H GLU 20 - HB2 LEU 64 lone 1 46 - 1 - Peak 3474 from cnoeabs.peaks (8.44, 1.73, 42.65 ppm; 3.85 A): 2 out of 2 assignments used, quality = 0.94: * H ALA 38 + HB3 LEU 37 OK 93 100 - 93 - 4.4=65, 3473/1.8=29...(12) H GLU 20 + HB3 LEU 37 OK 18 65 - 27 - 3477/3.1=5, 3473/1.8=5...(7) Peak 3475 from cnoeabs.peaks (8.44, 1.56, 26.77 ppm; 4.75 A): 1 out of 2 assignments used, quality = 0.95: * H ALA 38 + HG LEU 37 OK 95 100 - 95 - 3474/3.0=34, 160/2.1=34...(16) H GLU 20 - HG LEU 37 OK 27 65 - 41 - 3477/2.1=9, 3476/2.1=9...(8) Peak 3476 from cnoeabs.peaks (8.44, 0.92, 27.31 ppm; 5.61 A): 1 out of 2 assignments used, quality = 0.98: * H ALA 38 + QD2 LEU 37 OK 98 100 - 98 - 3474/3.1=39, 3477/2.1=38...(14) H GLU 20 - QD2 LEU 37 OK 44 65 - 66 - 3.6/4106=21, 4.4/4375=20...(10) Peak 3477 from cnoeabs.peaks (8.44, 0.96, 24.23 ppm; 4.27 A): 1 out of 2 assignments used, quality = 0.96: * H ALA 38 + QD1 LEU 37 OK 96 100 - 96 - 161=33, 160/2.1=30...(17) H GLU 20 - QD1 LEU 37 OK 27 65 - 41 - 4.4/4377=13, 3475/2.1=7...(7) Peak 3478 from cnoeabs.peaks (7.67, 3.61, 55.88 ppm; 4.73 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 39 + HA ALA 38 OK 100 100 - 100 - 3.6=100 Peak 3479 from cnoeabs.peaks (7.67, 1.34, 17.52 ppm; 3.13 A): 3 out of 5 assignments used, quality = 0.87: * H LYS 39 + QB ALA 38 OK 78 100 - 79 - 3.6=66, 162/2.9=23...(8) H VAL 48 + QB ALA 38 OK 31 98 - 32 - 4.0/4405=7, 3.8/4409=6...(10) H LYS 58 + QB ALA 38 OK 10 100 - 10 - 888/2.9=3, 788=2, 3.0/2827=1 HE22 GLN 47 - QB ALA 38 lone 9 99 - 9 - 3.4/4410=3, 888/2.9=2...(4) HE22 GLN 26 - QB ALA 38 lone 0 60 - 1 - Peak 3480 from cnoeabs.peaks (8.02, 4.08, 59.02 ppm; 3.63 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 40 + HA LYS 39 OK 100 100 - 100 - 3.6=100 Peak 3481 from cnoeabs.peaks (8.02, 1.92, 32.12 ppm; 3.33 A): 2 out of 10 assignments used, quality = 0.96: * H ASN 40 + HB2 LYS 39 OK 81 100 - 81 - 4.1=53, 167/1.8=19...(13) H ASN 40 + HB3 LYS 39 OK 81 100 - 81 - 4.1=53, 167/1.8=19...(13) H HIS 36 - HB2 LYS 39 OK 30 63 - 49 - 3.0/3752=12, ~3752=7...(15) H HIS 36 - HB3 LYS 39 OK 30 62 - 49 - 3.0/3752=12, ~3752=7...(15) H LYS 22 - HB2 LYS 39 lone 7 96 - 7 - 889/3.9=2, 3484/2.9=1 H LYS 22 - HB3 LYS 39 lone 7 95 - 7 - 889/3.9=2, 3484/2.9=1 H GLN 53 - HB3 LYS 39 lone 4 90 - 4 - H GLN 53 - HB2 LYS 39 lone 4 90 - 4 - H ILE 17 - HB2 LYS 39 lone 4 99 - 4 - H ILE 17 - HB3 LYS 39 lone 4 98 - 4 - Peak 3482 from cnoeabs.peaks (8.02, 1.92, 32.12 ppm; 3.33 A): 2 out of 10 assignments used, quality = 0.96: * H ASN 40 + HB3 LYS 39 OK 81 100 - 81 - 4.1=53, 167/1.8=19...(13) H ASN 40 + HB2 LYS 39 OK 81 100 - 81 - 4.1=53, 167/1.8=19...(13) H HIS 36 - HB3 LYS 39 OK 30 63 - 49 - 3.0/3752=12, ~3752=7...(15) H HIS 36 - HB2 LYS 39 OK 30 62 - 49 - 3.0/3752=12, ~3752=7...(15) H LYS 22 - HB3 LYS 39 lone 7 96 - 7 - 889/3.9=2, 3484/2.9=1 H LYS 22 - HB2 LYS 39 lone 7 95 - 7 - 889/3.9=2, 3484/2.9=1 H GLN 53 - HB3 LYS 39 lone 4 90 - 4 - H GLN 53 - HB2 LYS 39 lone 4 90 - 4 - H ILE 17 - HB3 LYS 39 lone 4 99 - 4 - H ILE 17 - HB2 LYS 39 lone 4 98 - 4 - Peak 3483 from cnoeabs.peaks (8.02, 1.43, 24.82 ppm; 4.85 A): 1 out of 25 assignments used, quality = 0.99: * H ASN 40 + HG2 LYS 39 OK 99 100 - 99 - 5.0=92, 167/2.9=22...(13) H HIS 36 - HG2 LYS 39 OK 44 63 - 70 - ~4368=17, 3.0/4788=15...(14) H LYS 22 - HG2 LYS 39 OK 16 96 - 17 - 3484/1.8=4, 889/4.9=3...(6) H ASN 40 - HG3 LYS 62 OK 13 99 - 13 - 169=2, 169/1.8=2...(5) H ASN 40 - HG2 LYS 62 OK 13 99 - 13 - 169=2, 169/1.8=2...(5) H ASN 40 - HG3 LYS 60 OK 12 94 - 13 - 169=2, 169/1.8=2...(5) H ASN 40 - HG2 LYS 60 OK 12 94 - 13 - 169=2, 169/1.8=2...(5) H ILE 17 - HG2 LYS 39 lone 9 99 - 9 - 3484/1.8=2, 889/4.9=1 H LYS 22 - HG3 LYS 62 lone 9 93 - 10 - 58/4.9=3, 559/2.9=2...(4) H LYS 22 - HG2 LYS 62 lone 9 93 - 10 - 58/4.9=3, 559/2.9=2...(4) H GLN 53 - HG2 LYS 39 lone 9 90 - 9 - 3484/1.8=2, 889/4.9=1 H LYS 22 - HG3 LYS 60 lone 4 87 - 4 - H LYS 22 - HG2 LYS 60 lone 4 86 - 4 - H HIS 36 - HG3 LYS 62 lone 4 60 - 6 - 3.0/4788=2, ~4788=1 H HIS 36 - HG2 LYS 62 lone 4 60 - 6 - 3.0/4788=2, ~4788=1 H HIS 36 - HG3 LYS 60 lone 3 55 - 5 - 3.0/4788=1, ~4788=1 H HIS 36 - HG2 LYS 60 lone 3 54 - 5 - 3.0/4788=1, ~4788=1 H GLN 53 - HG3 LYS 62 lone 2 87 - 2 - H GLN 53 - HG2 LYS 62 lone 2 87 - 2 - H ILE 17 - HG3 LYS 62 lone 2 96 - 2 - H ILE 17 - HG2 LYS 62 lone 2 96 - 2 - H ILE 17 - HG3 LYS 60 lone 2 91 - 2 - H ILE 17 - HG2 LYS 60 lone 2 90 - 2 - H GLN 53 - HG3 LYS 60 lone 2 81 - 2 - H GLN 53 - HG2 LYS 60 lone 2 80 - 2 - Peak 3484 from cnoeabs.peaks (8.02, 1.54, 24.82 ppm; 4.97 A): 2 out of 5 assignments used, quality = 1.00: * H ASN 40 + HG3 LYS 39 OK 100 100 - 100 - 5.0=99, 3.6/2026=24...(14) H HIS 36 + HG3 LYS 39 OK 46 63 - 74 - 3.0/4368=24, ~4788=14...(16) H LYS 22 - HG3 LYS 39 OK 17 96 - 17 - 889/4.9=4, 3483/1.8=2...(7) H ILE 17 - HG3 LYS 39 lone 9 99 - 8 - 889/4.9=2, 3483/1.8=1 H GLN 53 - HG3 LYS 39 lone 8 90 - 9 - 889/4.9=1, 3483/1.8=1 Peak 3485 from cnoeabs.peaks (8.02, 1.69, 28.78 ppm; 4.87 A): 3 out of 15 assignments used, quality = 0.97: * H ASN 40 + HD2 LYS 39 OK 78 100 - 78 - 167/3.9=19, 167/3.9=19...(10) H ASN 40 + HD3 LYS 39 OK 78 100 - 78 - 167/3.9=19, 167/3.9=19...(10) H HIS 36 + HD2 LYS 39 OK 40 63 - 64 - ~4368=12, 3.0/4367=11...(17) H HIS 36 - HD3 LYS 39 OK 40 63 - 64 - ~4368=12, 3.0/4367=11...(17) H GLN 53 - HG13 ILE 50 OK 19 54 - 36 - 3803/4.0=11, ~4603=7...(7) H LYS 22 - HG13 ILE 50 OK 19 59 - 31 - 4147/3.2=8, ~4149=5...(8) H LYS 22 - HD3 LYS 39 OK 15 96 - 16 - 3484/3.0=3, 889/6.2=2...(7) H LYS 22 - HD2 LYS 39 OK 15 96 - 16 - 3484/3.0=3, 889/6.2=2...(7) H GLN 53 - HD2 LYS 39 lone 8 90 - 9 - 3484/3.0=2, 3483/3.0=1 H GLN 53 - HD3 LYS 39 lone 8 90 - 9 - 3484/3.0=2, 3483/3.0=1 H ASN 40 - HG13 ILE 50 poor 8 66 - 11 - 4852=2, 3803/4.0=1, 168/3.0=1 H ILE 17 - HD3 LYS 39 lone 7 99 - 7 - 3484/3.0=2, 3483/3.0=1 H ILE 17 - HD2 LYS 39 lone 7 99 - 7 - 3484/3.0=2, 3483/3.0=1 H ILE 17 - HG13 ILE 50 lone 4 63 - 6 - 522/2.1=3, 933/4.0=1 H HIS 36 - HG13 ILE 50 lone 2 34 - 7 - Peak 3486 from cnoeabs.peaks (8.02, 1.69, 28.78 ppm; 4.87 A): 3 out of 15 assignments used, quality = 0.97: H ASN 40 + HD2 LYS 39 OK 78 100 - 78 - 167/3.9=19, 167/3.9=19...(10) * H ASN 40 + HD3 LYS 39 OK 78 100 - 78 - 167/3.9=19, 167/3.9=19...(10) H HIS 36 + HD2 LYS 39 OK 40 63 - 64 - ~4368=12, 3.0/4367=11...(17) H HIS 36 - HD3 LYS 39 OK 40 63 - 64 - ~4368=12, 3.0/4367=11...(17) H GLN 53 - HG13 ILE 50 OK 19 54 - 36 - 3803/4.0=11, ~4603=7...(7) H LYS 22 - HG13 ILE 50 OK 19 59 - 31 - 4147/3.2=8, ~4149=5...(8) H LYS 22 - HD3 LYS 39 OK 15 96 - 16 - 3484/3.0=3, 889/6.2=2...(7) H LYS 22 - HD2 LYS 39 OK 15 96 - 16 - 3484/3.0=3, 889/6.2=2...(7) H GLN 53 - HD2 LYS 39 lone 8 90 - 9 - 3484/3.0=2, 3483/3.0=1 H GLN 53 - HD3 LYS 39 lone 8 90 - 9 - 3484/3.0=2, 3483/3.0=1 H ASN 40 - HG13 ILE 50 poor 8 66 - 11 - 4852=2, 3803/4.0=1, 168/3.0=1 H ILE 17 - HD3 LYS 39 lone 7 99 - 7 - 3484/3.0=2, 3483/3.0=1 H ILE 17 - HD2 LYS 39 lone 7 99 - 7 - 3484/3.0=2, 3483/3.0=1 H ILE 17 - HG13 ILE 50 lone 4 63 - 6 - 522/2.1=3, 933/4.0=1 H HIS 36 - HG13 ILE 50 lone 2 34 - 7 - Peak 3489 from cnoeabs.peaks (8.06, 4.37, 55.84 ppm; 3.54 A): 2 out of 6 assignments used, quality = 1.00: * H LEU 41 + HA ASN 40 OK 99 100 - 99 - 3.6=98, 175/3.0=24...(8) H LEU 37 + HA ASN 40 OK 54 97 - 56 - 890/3.0=12, ~3759=10...(11) H GLN 47 - HA ASN 40 lone 10 100 - 10 - 890/3.0=4, 3490/2.9=2 H LYS 22 - HA ASN 40 lone 6 65 - 9 - 890/3.0=2, 175/3.6=1...(4) H GLN 53 - HA ASN 40 lone 3 76 - 4 - H ARG 55 - HA ASN 40 lone 3 87 - 3 - Peak 3490 from cnoeabs.peaks (8.06, 2.76, 38.33 ppm; 3.69 A): 2 out of 6 assignments used, quality = 0.97: * H LEU 41 + HB2 ASN 40 OK 89 100 - 89 - 4.2=69, 178/1.8=30...(10) H LEU 37 + HB2 ASN 40 OK 68 97 - 70 - 3.0/3759=28, ~3761=16...(10) H GLN 47 - HB2 ASN 40 OK 17 100 - 17 - 3491/1.8=3, 890/3.9=3...(8) H LYS 22 - HB2 ASN 40 poor 8 65 - 12 - 3.6/3760=2, 3491/1.8=2...(4) H ARG 55 - HB2 ASN 40 lone 4 87 - 4 - H GLN 53 - HB2 ASN 40 lone 4 76 - 5 - Peak 3491 from cnoeabs.peaks (8.06, 2.70, 38.33 ppm; 3.46 A): 3 out of 6 assignments used, quality = 0.94: * H LEU 41 + HB3 ASN 40 OK 84 100 - 84 - 4.2=57, 177/1.8=30...(10) H LEU 37 + HB3 ASN 40 OK 58 97 - 60 - 3.0/3761=22, ~3759=14...(9) H GLN 47 + HB3 ASN 40 OK 14 100 - 14 - 3490/1.8=3, 890/3.9=2...(6) H LYS 22 - HB3 ASN 40 lone 7 65 - 10 - 3.6/3762=2, 3490/1.8=1 H GLN 53 - HB3 ASN 40 lone 3 76 - 4 - H ARG 55 - HB3 ASN 40 lone 3 87 - 3 - Peak 3492 from cnoeabs.peaks (7.90, 4.34, 54.54 ppm; 4.21 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 42 + HA LEU 41 OK 100 100 - 100 - 3.6=100 Peak 3493 from cnoeabs.peaks (7.90, 1.62, 42.54 ppm; 4.47 A): 2 out of 2 assignments used, quality = 0.89: H GLY 69 + HB3 LEU 68 OK 75 75 - 100 - 4.3=100 H GLY 69 + HB2 LEU 68 OK 57 57 - 100 - 4.3=100 Reference assignment not found: H LYS 42 - HB2 LEU 41 Peak 3494 from cnoeabs.peaks (7.90, 1.43, 42.54 ppm; 5.06 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 42 + HB3 LEU 41 OK 100 100 - 100 - 4.6=100 Peak 3496 from cnoeabs.peaks (7.90, 0.75, 22.71 ppm; 5.42 A): 2 out of 3 assignments used, quality = 0.97: * H LYS 42 + QD2 LEU 41 OK 94 100 - 94 - 3.6/2098=43, 186=42...(9) H THR 14 + QD2 LEU 41 OK 48 95 - 50 - 4.0/4452=23, 3.0/4446=13...(8) H GLY 69 - QD2 LEU 41 lone 4 100 - 4 - Peak 3498 from cnoeabs.peaks (8.33, 3.98, 57.60 ppm; 3.29 A): 2 out of 4 assignments used, quality = 0.91: * H LEU 43 + HA LYS 42 OK 89 100 - 89 - 3.6=79, 188/3.0=25...(8) H ARG 21 + HA LYS 42 OK 18 89 - 20 - 2.9/3716=6, 892/3.0=5...(5) H LYS 62 - HA LYS 42 lone 3 65 - 4 - H SER 65 - HA LYS 42 lone 2 68 - 2 - Peak 3499 from cnoeabs.peaks (8.33, 1.89, 28.29 ppm; 4.83 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 43 + HB2 LYS 42 OK 100 100 - 100 - 4.7=100 Peak 3500 from cnoeabs.peaks (8.33, 2.15, 28.29 ppm; 3.99 A): 3 out of 8 assignments used, quality = 0.92: * H LEU 43 + HB3 LYS 42 OK 88 100 - 88 - 4.7=63, 189/3.0=29...(7) H ARG 21 + HB3 LYS 42 OK 24 89 - 27 - 54=6, 3498/3.0=6...(7) H ARG 21 + HB2 GLN 53 OK 12 70 - 16 - 54=5, 873/4.0=3...(5) H LYS 62 - HB3 LYS 42 lone 4 65 - 5 - 892/4.0=1 H LEU 43 - HB2 GLN 53 lone 2 85 - 2 - H SER 65 - HB3 LYS 42 lone 2 68 - 3 - H LYS 62 - HB2 GLN 53 lone 1 49 - 2 - H SER 65 - HB2 GLN 53 lone 1 51 - 2 - 4.6/267=1 Peak 3501 from cnoeabs.peaks (8.33, 1.35, 24.91 ppm; 5.02 A): 2 out of 12 assignments used, quality = 0.97: H LEU 43 + HG3 LYS 42 OK 82 100 - 82 - 3498/3.9=33, 188/4.9=32...(6) * H LEU 43 + HG2 LYS 42 OK 82 100 - 82 - 3498/3.9=33, 188/4.9=32...(6) H ARG 21 - HG2 LYS 42 OK 19 89 - 21 - 3500/2.9=8, 3498/3.9=6 H ARG 21 - HG3 LYS 42 OK 19 89 - 21 - 3500/2.9=8, 3498/3.9=6 H LEU 43 - HG2 LYS 58 OK 10 98 - 10 - 685/1.8=2, 192=2...(5) H LYS 62 - HG3 LYS 42 lone 5 65 - 7 - 892/4.9=1, 3500/2.9=1 H LYS 62 - HG2 LYS 42 lone 5 65 - 7 - 892/4.9=1, 3500/2.9=1 H LYS 62 - HG2 LYS 58 lone 3 62 - 5 - 328/2.8=1 H ARG 21 - HG2 LYS 58 lone 3 85 - 3 - H SER 65 - HG3 LYS 42 lone 3 68 - 4 - H SER 65 - HG2 LYS 42 lone 3 68 - 4 - H SER 65 - HG2 LYS 58 lone 1 64 - 2 - Peak 3502 from cnoeabs.peaks (8.33, 1.35, 24.91 ppm; 5.02 A): 2 out of 12 assignments used, quality = 0.97: * H LEU 43 + HG3 LYS 42 OK 82 100 - 82 - 3498/3.9=33, 188/4.9=32...(6) H LEU 43 + HG2 LYS 42 OK 82 100 - 82 - 3498/3.9=33, 188/4.9=32...(6) H ARG 21 - HG2 LYS 42 OK 19 89 - 21 - 3500/2.9=8, 3498/3.9=6 H ARG 21 - HG3 LYS 42 OK 19 89 - 21 - 3500/2.9=8, 3498/3.9=6 H LEU 43 - HG2 LYS 58 OK 10 98 - 10 - 685/1.8=2, 192=2...(5) H LYS 62 - HG3 LYS 42 lone 5 65 - 7 - 892/4.9=1, 3500/2.9=1 H LYS 62 - HG2 LYS 42 lone 5 65 - 7 - 892/4.9=1, 3500/2.9=1 H LYS 62 - HG2 LYS 58 lone 3 62 - 5 - 328/2.8=1 H ARG 21 - HG2 LYS 58 lone 3 85 - 3 - H SER 65 - HG3 LYS 42 lone 3 68 - 4 - H SER 65 - HG2 LYS 42 lone 3 68 - 4 - H SER 65 - HG2 LYS 58 lone 1 64 - 2 - Peak 3507 from cnoeabs.peaks (8.84, 4.87, 52.54 ppm; 3.77 A): 1 out of 1 assignment used, quality = 1.00: * H THR 44 + HA LEU 43 OK 100 100 - 100 - 3.6=100 Peak 3508 from cnoeabs.peaks (8.84, 1.23, 47.68 ppm; 4.19 A): 1 out of 1 assignment used, quality = 0.98: * H THR 44 + HB2 LEU 43 OK 98 100 - 98 - 4.6=77, 3509/1.8=41...(15) Peak 3509 from cnoeabs.peaks (8.84, 1.60, 47.68 ppm; 3.96 A): 1 out of 1 assignment used, quality = 0.96: * H THR 44 + HB3 LEU 43 OK 96 100 - 96 - 4.6=65, 3508/1.8=35...(15) Peak 3510 from cnoeabs.peaks (8.84, 1.47, 26.44 ppm; 4.91 A): 1 out of 1 assignment used, quality = 0.97: * H THR 44 + HG LEU 43 OK 97 100 - 97 - 3511/2.1=46, 3509/3.0=41...(9) Peak 3511 from cnoeabs.peaks (8.84, 0.85, 24.31 ppm; 3.96 A): 1 out of 1 assignment used, quality = 0.95: * H THR 44 + QD2 LEU 43 OK 95 100 - 95 - 4.7=59, 3.6/2254=32...(12) Peak 3512 from cnoeabs.peaks (8.84, 0.66, 27.60 ppm; 5.25 A): 1 out of 1 assignment used, quality = 1.00: * H THR 44 + QD1 LEU 43 OK 100 100 - 100 - 4.7=100 Peak 3513 from cnoeabs.peaks (9.24, 4.65, 60.29 ppm; 3.27 A): 1 out of 1 assignment used, quality = 0.88: * H GLU 45 + HA THR 44 OK 88 100 - 88 - 3.6=77, 207/3.0=24...(6) Peak 3514 from cnoeabs.peaks (9.24, 4.78, 70.74 ppm; 6.00 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 45 + HB THR 44 OK 100 100 - 100 - 4.4=100 Peak 3515 from cnoeabs.peaks (9.24, 1.28, 21.70 ppm; 4.35 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 45 + QG2 THR 44 OK 100 100 - 100 - 4.2=100 Peak 3516 from cnoeabs.peaks (8.14, 3.64, 61.08 ppm; 5.19 A): 1 out of 1 assignment used, quality = 1.00: * H THR 46 + HA GLU 45 OK 100 100 - 100 - 3.6=100 Peak 3517 from cnoeabs.peaks (8.14, 2.04, 29.23 ppm; 4.67 A): 2 out of 2 assignments used, quality = 1.00: * H THR 46 + HB2 GLU 45 OK 100 100 - 100 - 4.6=100 H THR 46 + HB3 GLU 45 OK 100 100 - 100 - 4.6=100 Peak 3518 from cnoeabs.peaks (8.14, 2.05, 29.23 ppm; 4.67 A): 2 out of 2 assignments used, quality = 1.00: * H THR 46 + HB3 GLU 45 OK 100 100 - 100 - 4.6=100 H THR 46 + HB2 GLU 45 OK 100 100 - 100 - 4.6=100 Peak 3519 from cnoeabs.peaks (8.14, 2.40, 37.98 ppm; 5.08 A): 2 out of 6 assignments used, quality = 0.97: H ALA 35 + HG2 GLU 45 OK 85 98 - 87 - 3.0/4356=30, 2.9/4514=27...(14) * H THR 46 + HG2 GLU 45 OK 83 100 - 83 - 209/4.7=33, 3.6/2298=26...(11) H SER 24 - HG2 GLU 45 OK 12 92 - 13 - 4.0/4525=3, 4.0/4525=3...(4) H LYS 27 - HG2 GLU 45 lone 6 78 - 7 - 6.1/4515=1, 3520/1.8=1 H LEU 68 - HG2 GLU 45 lone 5 100 - 5 - 368/1.8=2 H ARG 61 - HG2 GLU 45 lone 5 57 - 9 - 4.9/4519=2, 4.9/4519=2 Peak 3520 from cnoeabs.peaks (8.14, 2.07, 37.98 ppm; 4.94 A): 2 out of 6 assignments used, quality = 0.97: H ALA 35 + HG3 GLU 45 OK 89 98 - 91 - 3.0/4527=29, 2.9/4516=26...(18) * H THR 46 + HG3 GLU 45 OK 77 100 - 77 - 209/4.7=31, 3.6/2304=26...(7) H SER 24 - HG3 GLU 45 OK 11 92 - 12 - 4.0/4527=3, 4.0/4527=3...(4) H LYS 27 - HG3 GLU 45 lone 6 78 - 8 - 6.1/4517=1, 4.0/4518=1 H LEU 68 - HG3 GLU 45 lone 6 100 - 6 - 368=2, 3519/1.8=1 H ARG 61 - HG3 GLU 45 lone 4 57 - 6 - 4.9/4518=2, 4.9/4518=1 Peak 3521 from cnoeabs.peaks (8.05, 3.90, 66.50 ppm; 4.35 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 47 + HA THR 46 OK 100 100 - 100 - 3.6=100 Peak 3522 from cnoeabs.peaks (8.05, 4.06, 68.82 ppm; 3.75 A): 1 out of 12 assignments used, quality = 0.75: * H GLN 47 + HB THR 46 OK 75 100 - 75 - 4.5=59, 218/2.1=20...(4) H LEU 41 - HB THR 46 lone 9 100 - 9 - 1010=2, 896/4.0=1...(4) H LEU 37 - HB THR 46 lone 8 92 - 9 - 989/4.0=4, 4.5/1973=1 H LYS 22 - HB THR 46 lone 4 78 - 6 - 962/4.0=4 H LEU 41 - HB THR 14 lone 4 50 - 9 - 4.8/4453=3, 891/3.9=1, 1010=1 H LEU 37 - HB THR 14 lone 2 43 - 4 - 990/3.0=1 H GLN 47 - HB THR 14 lone 1 51 - 2 - H GLN 53 - HB THR 46 lone 1 87 - 1 - H ARG 55 - HB THR 46 lone 1 76 - 1 - H GLN 53 - HB THR 14 lone 1 39 - 2 - H LYS 22 - HB THR 14 lone 1 34 - 2 - H ARG 55 - HB THR 14 lone 0 33 - 1 - Peak 3523 from cnoeabs.peaks (8.05, 1.25, 21.98 ppm; 4.46 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 47 + QG2 THR 46 OK 100 100 - 100 - 4.3=100 Peak 3524 from cnoeabs.peaks (7.68, 3.96, 59.66 ppm; 4.22 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 48 + HA GLN 47 OK 100 100 - 100 - 3.6=100 Peak 3525 from cnoeabs.peaks (7.68, 2.58, 29.96 ppm; 4.33 A): 2 out of 4 assignments used, quality = 0.99: * H VAL 48 + HB2 GLN 47 OK 94 100 - 94 - 4.7=81, 223/3.0=34...(7) HE22 GLN 47 + HB2 GLN 47 OK 88 90 - 98 - 4.6=84, 3.4/2347=40...(12) H LYS 39 - HB2 GLN 47 OK 23 98 - 23 - 1002/4.0=6, 1001/3.0=5...(6) H LYS 58 - HB2 GLN 47 lone 4 100 - 4 - 786/1.8=1 Peak 3526 from cnoeabs.peaks (7.68, 1.83, 29.96 ppm; 4.09 A): 2 out of 4 assignments used, quality = 0.99: * H VAL 48 + HB3 GLN 47 OK 92 100 - 92 - 4.7=68, 221/1.8=40...(10) HE22 GLN 47 + HB3 GLN 47 OK 85 90 - 94 - 4.6=71, 445/1.8=32...(11) H LYS 39 - HB3 GLN 47 OK 19 98 - 19 - 1002/4.0=6, 1001/3.0=4...(6) H LYS 58 - HB3 GLN 47 lone 5 100 - 5 - Peak 3527 from cnoeabs.peaks (7.68, 2.55, 35.63 ppm; 3.99 A): 1 out of 1 assignment used, quality = 0.90: HE22 GLN 47 + HG2 GLN 47 OK 90 90 - 100 - 3.4=100 Reference assignment not found: H VAL 48 - HG2 GLN 47 Peak 3528 from cnoeabs.peaks (7.68, 2.40, 35.63 ppm; 3.73 A): 1 out of 1 assignment used, quality = 0.90: HE22 GLN 47 + HG3 GLN 47 OK 90 90 - 100 - 3.4=100 Reference assignment not found: H VAL 48 - HG3 GLN 47 Peak 3529 from cnoeabs.peaks (8.54, 3.63, 67.46 ppm; 4.74 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 49 + HA VAL 48 OK 100 100 - 100 - 3.6=100 Peak 3530 from cnoeabs.peaks (8.54, 2.16, 32.06 ppm; 3.71 A): 1 out of 1 assignment used, quality = 0.90: * H LYS 49 + HB VAL 48 OK 90 100 - 90 - 4.4=58, 230/2.1=30...(13) Peak 3531 from cnoeabs.peaks (8.54, 1.00, 23.57 ppm; 4.17 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 49 + QG1 VAL 48 OK 100 100 - 100 - 4.1=100 Peak 3532 from cnoeabs.peaks (8.54, 0.95, 23.79 ppm; 4.55 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 49 + QG2 VAL 48 OK 100 100 - 100 - 4.1=100 Peak 3533 from cnoeabs.peaks (8.69, 4.33, 59.98 ppm; 4.87 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 50 + HA LYS 49 OK 100 100 - 100 - 3.6=100 Peak 3534 from cnoeabs.peaks (8.69, 2.13, 33.10 ppm; 3.90 A): 1 out of 1 assignment used, quality = 0.94: * H ILE 50 + HB2 LYS 49 OK 94 100 - 94 - 4.4=70, 3535/1.8=33...(14) Peak 3535 from cnoeabs.peaks (8.69, 1.88, 33.10 ppm; 4.23 A): 1 out of 1 assignment used, quality = 0.98: * H ILE 50 + HB3 LYS 49 OK 98 100 - 98 - 4.4=90, 3534/1.8=42...(9) Peak 3537 from cnoeabs.peaks (8.69, 1.40, 24.91 ppm; 5.07 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 50 + HG3 LYS 49 OK 100 100 - 100 - 5.0=100 Peak 3538 from cnoeabs.peaks (8.69, 1.70, 29.39 ppm; 4.80 A): 3 out of 4 assignments used, quality = 1.00: * H ILE 50 + HD2 LYS 49 OK 87 100 - 87 - 3534/3.7=36, 3535/3.7=33...(13) H ILE 50 + HD3 LYS 49 OK 87 100 - 87 - 3534/3.7=36, 3535/3.7=33...(13) H ILE 50 + HG13 ILE 50 OK 71 71 - 100 - 4.9=93, 2492/1.8=49...(18) H ILE 50 - HD2 LYS 42 poor 6 40 - 15 - 235/3.8=4, 234/3.8=3...(4) Peak 3539 from cnoeabs.peaks (8.69, 1.70, 29.39 ppm; 4.80 A): 3 out of 4 assignments used, quality = 1.00: * H ILE 50 + HD3 LYS 49 OK 87 100 - 87 - 3534/3.7=36, 3535/3.7=33...(13) H ILE 50 + HD2 LYS 49 OK 87 100 - 87 - 3534/3.7=36, 3535/3.7=33...(13) H ILE 50 + HG13 ILE 50 OK 73 73 - 100 - 4.9=93, 2492/1.8=49...(18) H ILE 50 - HD2 LYS 42 poor 6 38 - 15 - 235/3.8=4, 234/3.8=3...(4) Peak 3542 from cnoeabs.peaks (8.27, 3.77, 64.05 ppm; 4.25 A): 1 out of 1 assignment used, quality = 1.00: * H TRP 51 + HA ILE 50 OK 100 100 - 100 - 3.6=100 Peak 3543 from cnoeabs.peaks (8.27, 1.94, 37.64 ppm; 3.76 A): 3 out of 3 assignments used, quality = 0.94: * H TRP 51 + HB ILE 50 OK 91 100 - 91 - 4.4=61, 245/2.1=27...(13) H ASN 54 + HB ILE 50 OK 18 60 - 30 - 3544/2.1=7, 3.6/3786=7...(7) H SER 66 + HB ILE 50 OK 16 92 - 17 - 3544/2.1=4, 3545/3.0=3...(5) Peak 3544 from cnoeabs.peaks (8.27, 0.91, 17.21 ppm; 4.18 A): 1 out of 3 assignments used, quality = 0.99: * H TRP 51 + QG2 ILE 50 OK 99 100 - 99 - 4.3=90, 244/2.1=31...(15) H ASN 54 - QG2 ILE 50 OK 38 60 - 64 - 5.1/4661=15, 5.1/4596=14...(13) H SER 66 - QG2 ILE 50 OK 21 92 - 22 - 3543/2.1=5, 3547/3.2=4...(6) Peak 3545 from cnoeabs.peaks (8.27, 1.29, 29.13 ppm; 5.20 A): 1 out of 3 assignments used, quality = 0.96: * H TRP 51 + HG12 ILE 50 OK 96 100 - 97 - 246=46, 3.6/2475=42...(11) H ASN 54 - HG12 ILE 50 OK 25 60 - 43 - 3544/3.2=10, 4.4/4608=9...(9) H SER 66 - HG12 ILE 50 OK 25 92 - 27 - 3547/2.1=7, 3543/3.0=6...(5) Peak 3546 from cnoeabs.peaks (8.27, 1.69, 29.13 ppm; 5.02 A): 2 out of 15 assignments used, quality = 0.96: * H TRP 51 + HG13 ILE 50 OK 94 100 - 94 - 246/1.8=39, 248/2.1=37...(10) H TRP 51 + HD3 LYS 49 OK 35 73 - 48 - 1031/6.2=19, 4624/3.7=12...(6) H TRP 51 - HD2 LYS 49 OK 34 71 - 48 - 1031/6.2=19, 4624/3.7=12...(6) H SER 66 - HG13 ILE 50 OK 26 92 - 27 - 3545/1.8=7, 3547/2.1=6...(5) H ASN 54 - HG13 ILE 50 OK 24 60 - 40 - 3544/3.2=9, 3547/2.1=8...(8) H TRP 51 - HD3 LYS 39 OK 11 66 - 16 - 244/3.9=3, 244/3.9=3...(6) H TRP 51 - HD2 LYS 39 OK 11 66 - 16 - 244/3.9=3, 244/3.9=3...(6) H SER 66 - HD3 LYS 49 lone 3 62 - 5 - 1024/6.2=2 H SER 66 - HD2 LYS 49 lone 3 60 - 5 - 1024/6.2=2 H ASN 54 - HD3 LYS 49 lone 3 37 - 7 - 1024/6.2=2 H ASN 54 - HD2 LYS 49 lone 3 35 - 7 - 1024/6.2=2 H SER 66 - HD2 LYS 39 lone 1 55 - 2 - H SER 66 - HD3 LYS 39 lone 1 55 - 2 - H ASN 54 - HD2 LYS 39 lone 1 33 - 3 - H ASN 54 - HD3 LYS 39 lone 1 33 - 3 - Peak 3547 from cnoeabs.peaks (8.27, 0.80, 12.55 ppm; 5.19 A): 1 out of 3 assignments used, quality = 0.97: * H TRP 51 + QD1 ILE 50 OK 97 100 - 97 - 248=44, 246/2.1=39...(14) H ASN 54 - QD1 ILE 50 OK 34 60 - 58 - 5.1/4599=11, 3.6/4603=11...(13) H SER 66 - QD1 ILE 50 OK 28 92 - 29 - 3545/2.1=7, 3543/3.2=6...(7) Peak 3548 from cnoeabs.peaks (8.94, 4.02, 63.12 ppm; 5.07 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 52 + HA TRP 51 OK 100 100 - 100 - 3.6=100 Peak 3549 from cnoeabs.peaks (8.94, 3.50, 29.17 ppm; 4.49 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 52 + HB2 TRP 51 OK 100 100 - 100 - 4.3=100 Peak 3550 from cnoeabs.peaks (8.94, 3.29, 29.17 ppm; 4.78 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 52 + HB3 TRP 51 OK 100 100 - 100 - 4.3=100 Peak 3556 from cnoeabs.peaks (8.03, 3.76, 63.31 ppm; 4.58 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 53 + HA PHE 52 OK 100 100 - 100 - 3.6=100 Peak 3557 from cnoeabs.peaks (8.03, 3.27, 39.64 ppm; 4.63 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 53 + HB2 PHE 52 OK 100 100 - 100 - 4.5=100 Peak 3558 from cnoeabs.peaks (8.03, 3.53, 39.64 ppm; 4.51 A): 1 out of 6 assignments used, quality = 0.99: * H GLN 53 + HB3 PHE 52 OK 99 100 - 99 - 4.5=99 H LYS 22 - HB3 PHE 52 lone 9 100 - 9 - 902/4.1=3, 2.9/3800=2, ~3798=2 H LEU 41 - HB3 PHE 52 poor 9 76 - 11 - 3.0/3800=4, ~3798=2...(4) H GLN 47 - HB3 PHE 52 lone 6 87 - 7 - 1015/4590=3, 902/4.1=2 H ASN 40 - HB3 PHE 52 lone 4 90 - 5 - 902/4.1=1 H ILE 17 - HB3 PHE 52 lone 4 73 - 6 - 934/4.4=2, 902/4.1=2 Peak 3561 from cnoeabs.peaks (8.29, 3.94, 59.15 ppm; 4.28 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 54 + HA GLN 53 OK 100 100 - 100 - 3.6=100 Peak 3562 from cnoeabs.peaks (8.29, 2.15, 28.54 ppm; 3.84 A): 2 out of 15 assignments used, quality = 0.94: * H ASN 54 + HB2 GLN 53 OK 91 100 - 91 - 4.4=67, 268/1.8=33...(10) H ARG 21 + HB2 GLU 20 OK 34 37 - 92 - 4.1=81, 55/1.8=22...(8) H TRP 51 - HB2 GLN 53 OK 25 60 - 42 - 3.6/3804=14, 1041/4.0=8...(9) H ARG 21 - HB2 GLN 53 OK 18 89 - 20 - 54=4, 903/4.0=4...(7) H SER 66 - HB2 GLN 53 OK 12 93 - 13 - 3563/1.8=3, 267=2...(5) H ARG 21 - HB3 LYS 42 OK 12 70 - 18 - 54=6, ~3716=3, ~3714=3...(5) H ASN 54 - HB2 GLU 20 poor 8 47 - 17 - 267=5, 269/3.0=3...(5) H TRP 51 - HB3 LYS 42 poor 5 45 - 11 - 3.6/3804=3, 4.3/4607=2...(4) H LYS 62 - HB2 GLN 53 lone 4 99 - 4 - H ASN 54 - HB3 LYS 42 lone 4 85 - 5 - 267=1 H LYS 62 - HB3 LYS 42 lone 3 82 - 3 - H LYS 62 - HB2 GLU 20 lone 2 45 - 3 - H TRP 51 - HB2 GLU 20 lone 1 22 - 5 - ~3811=2 H SER 66 - HB3 LYS 42 lone 1 75 - 1 - H SER 66 - HB2 GLU 20 lone 1 40 - 2 - Peak 3563 from cnoeabs.peaks (8.29, 2.22, 28.54 ppm; 4.04 A): 1 out of 5 assignments used, quality = 0.94: * H ASN 54 + HB3 GLN 53 OK 94 100 - 95 - 4.4=78, 267/1.8=33...(10) H TRP 51 - HB3 GLN 53 OK 25 60 - 42 - 3.6/3806=27, 1041/4.0=9...(6) H ARG 21 - HB3 GLN 53 OK 14 89 - 16 - 54/1.8=4, 903/4.0=4...(5) H SER 66 - HB3 GLN 53 OK 13 93 - 14 - 268=3, 3564/3.0=2...(5) H LYS 62 - HB3 GLN 53 lone 4 99 - 4 - Peak 3564 from cnoeabs.peaks (8.29, 2.44, 33.72 ppm; 4.76 A): 4 out of 5 assignments used, quality = 0.94: * H ASN 54 + HG2 GLN 53 OK 88 100 - 88 - 269=36, 268/3.0=34...(8) H TRP 51 + HG2 GLN 53 OK 24 60 - 40 - 3.6/4601=19, 1041/5.1=9...(6) H ARG 21 + HG2 GLN 53 OK 22 89 - 25 - 57=4, 903/5.1=4...(8) H SER 66 + HG2 GLN 53 OK 16 93 - 16 - 3563/3.0=3, 269=3...(5) H LYS 62 - HG2 GLN 53 lone 5 99 - 5 - 3563/3.0=1 Peak 3565 from cnoeabs.peaks (8.29, 2.37, 33.72 ppm; 6.00 A): 2 out of 15 assignments used, quality = 0.95: * H ASN 54 + HG3 GLN 53 OK 92 100 - 92 - 268/3.0=41, 269/1.8=36...(8) H TRP 51 + HG3 GLN 53 OK 32 60 - 53 - 3.6/4600=26, 1041/5.1=13...(6) H ARG 21 - HG3 GLN 53 OK 25 89 - 28 - 3564/1.8=7, 903/5.1=6...(6) H SER 66 - HG3 GLN 53 OK 22 93 - 23 - 3564/1.8=5, 3563/3.0=4...(7) H LYS 62 - HG3 GLN 63 OK 20 93 - 21 - 4.6/831=19 H LYS 62 - HG2 GLN 63 OK 19 89 - 21 - 4.6/831=19 H LYS 62 - HG3 GLN 53 lone 9 99 - 9 - 3564/1.8=2, 3563/3.0=1 H ASN 54 - HG3 GLN 63 lone 8 96 - 8 - 4.6/753=2, 270=2, 270/1.8=2 H ASN 54 - HG2 GLN 63 lone 8 92 - 8 - 4.6/753=2, 270/1.8=2, 270=2 H ARG 21 - HG3 GLN 63 lone 5 81 - 5 - 4.6/2655=1 H ARG 21 - HG2 GLN 63 lone 4 77 - 5 - 4.6/2655=1 H SER 66 - HG3 GLN 63 lone 4 86 - 5 - H SER 66 - HG2 GLN 63 lone 4 82 - 5 - H TRP 51 - HG3 GLN 63 lone 2 53 - 4 - H TRP 51 - HG2 GLN 63 lone 2 50 - 4 - Peak 3566 from cnoeabs.peaks (8.07, 4.36, 55.11 ppm; 4.55 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 55 + HA ASN 54 OK 100 100 - 100 - 3.6=100 Peak 3567 from cnoeabs.peaks (8.07, 2.48, 37.68 ppm; 4.38 A): 1 out of 4 assignments used, quality = 0.94: * H ARG 55 + HB2 ASN 54 OK 94 100 - 94 - 4.6=86, 276/1.8=44...(4) H LEU 37 - HB2 ASN 54 OK 16 99 - 17 - 3568/1.8=5, 4.5/4658=5...(4) H LEU 41 - HB2 ASN 54 lone 8 87 - 9 - 904/4.1=2, 3568/1.8=2 H GLN 47 - HB2 ASN 54 lone 7 76 - 10 - 3568/1.8=2, ~2327=2...(4) Peak 3568 from cnoeabs.peaks (8.07, 2.65, 37.68 ppm; 4.21 A): 2 out of 4 assignments used, quality = 0.90: * H ARG 55 + HB3 ASN 54 OK 89 100 - 89 - 4.6=77, 275/1.8=31...(4) H LEU 37 + HB3 ASN 54 OK 15 99 - 15 - 3567/1.8=5, 4.5/4659=5...(4) H GLN 47 - HB3 ASN 54 lone 7 76 - 9 - 3567/1.8=2, 3815/3813=2...(4) H LEU 41 - HB3 ASN 54 lone 6 87 - 6 - 3567/1.8=2, 904/4.1=2 Peak 3569 from cnoeabs.peaks (7.75, 3.43, 56.09 ppm; 5.09 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 56 + HA ARG 55 OK 100 100 - 100 - 3.6=100 Peak 3570 from cnoeabs.peaks (7.75, 0.65, 28.41 ppm; 5.32 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 56 + HB2 ARG 55 OK 100 100 - 100 - 4.7=100 Peak 3576 from cnoeabs.peaks (7.56, 4.08, 59.51 ppm; 4.21 A): 1 out of 1 assignment used, quality = 1.00: * H TYR 57 + HA ARG 56 OK 100 100 - 100 - 3.6=100 Peak 3577 from cnoeabs.peaks (7.56, 1.72, 31.63 ppm; 4.76 A): 1 out of 1 assignment used, quality = 1.00: * H TYR 57 + HB2 ARG 56 OK 100 100 - 100 - 4.6=100 Peak 3578 from cnoeabs.peaks (7.56, 2.04, 31.63 ppm; 4.72 A): 1 out of 1 assignment used, quality = 1.00: * H TYR 57 + HB3 ARG 56 OK 100 100 - 100 - 4.6=100 Peak 3583 from cnoeabs.peaks (7.68, 4.44, 59.02 ppm; 3.65 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 58 + HA TYR 57 OK 100 100 - 100 - 3.6=100 Peak 3584 from cnoeabs.peaks (7.68, 3.09, 37.92 ppm; 4.71 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 58 + HB2 TYR 57 OK 100 100 - 100 - 4.7=100 Peak 3585 from cnoeabs.peaks (7.68, 3.17, 37.92 ppm; 4.69 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 58 + HB3 TYR 57 OK 100 100 - 100 - 4.7=100 Peak 3588 from cnoeabs.peaks (7.72, 4.11, 57.48 ppm; 3.69 A): 1 out of 1 assignment used, quality = 1.00: * H THR 59 + HA LYS 58 OK 100 100 - 100 - 3.6=100 Peak 3589 from cnoeabs.peaks (7.72, 1.80, 32.42 ppm; 5.05 A): 1 out of 1 assignment used, quality = 1.00: * H THR 59 + HB2 LYS 58 OK 100 100 - 100 - 4.6=100 Peak 3590 from cnoeabs.peaks (7.72, 1.73, 32.42 ppm; 4.70 A): 1 out of 1 assignment used, quality = 1.00: * H THR 59 + HB3 LYS 58 OK 100 100 - 100 - 4.6=100 Peak 3591 from cnoeabs.peaks (7.72, 1.36, 24.85 ppm; 5.35 A): 2 out of 9 assignments used, quality = 0.92: * H THR 59 + HG2 LYS 58 OK 90 100 - 90 - 302/4.0=38, 304/2.8=32...(6) H ARG 56 + HG2 LYS 58 OK 24 78 - 31 - 908/4.9=12, 3592/1.8=9...(7) H THR 59 - HG2 LYS 42 OK 20 98 - 20 - 305=6, 305/1.8=5...(5) H THR 59 - HG3 LYS 42 OK 20 98 - 20 - 305=6, 305/1.8=5...(5) QD PHE 52 - HG2 LYS 58 lone 3 78 - 4 - 3592/1.8=1 H ARG 56 - HG2 LYS 42 lone 3 74 - 3 - H ARG 56 - HG3 LYS 42 lone 3 74 - 3 - QD PHE 52 - HG2 LYS 42 lone 2 74 - 3 - QD PHE 52 - HG3 LYS 42 lone 2 74 - 3 - Peak 3592 from cnoeabs.peaks (7.72, 1.45, 24.85 ppm; 5.28 A): 2 out of 3 assignments used, quality = 0.88: * H THR 59 + HG3 LYS 58 OK 84 100 - 84 - 302/4.0=37, 304/2.8=31...(5) H ARG 56 + HG3 LYS 58 OK 23 78 - 30 - 908/4.9=12, 3591/1.8=6...(7) QD PHE 52 - HG3 LYS 58 lone 4 78 - 5 - Peak 3597 from cnoeabs.peaks (7.98, 4.26, 62.83 ppm; 3.87 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 60 + HA THR 59 OK 100 100 - 100 - 3.6=100 Peak 3598 from cnoeabs.peaks (7.98, 4.28, 69.66 ppm; 4.90 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 60 + HB THR 59 OK 100 100 - 100 - 4.7=100 Peak 3600 from cnoeabs.peaks (8.17, 4.26, 56.50 ppm; 3.83 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 61 + HA LYS 60 OK 100 100 - 100 - 3.6=100 Peak 3601 from cnoeabs.peaks (8.17, 1.83, 32.76 ppm; 5.16 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 61 + HB2 LYS 60 OK 100 100 - 100 - 4.4=100 Peak 3602 from cnoeabs.peaks (8.17, 1.78, 32.76 ppm; 5.02 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 61 + HB3 LYS 60 OK 100 100 - 100 - 4.4=100 Peak 3609 from cnoeabs.peaks (8.30, 4.24, 56.37 ppm; 3.49 A): 1 out of 1 assignment used, quality = 0.62: H LYS 62 + HA LYS 62 OK 62 62 - 100 - 2.9=100 Reference assignment not found: H LYS 62 - HA ARG 61 Peak 3612 from cnoeabs.peaks (8.30, 1.60, 27.31 ppm; 4.66 A): 3 out of 15 assignments used, quality = 1.00: * H LYS 62 + HG2 ARG 61 OK 95 100 - 95 - 5.0=82, 328/2.9=34...(13) H LYS 62 + HG3 ARG 61 OK 95 100 - 95 - 5.0=82, 328/2.9=34...(13) H ARG 21 + HG3 ARG 21 OK 91 91 - 100 - 4.7=97, 1372/1.8=32...(16) H ARG 21 - HG2 ARG 61 OK 15 97 - 15 - 550=3, 4.6/63=3...(6) H ARG 21 - HG3 ARG 61 OK 15 97 - 15 - 550=3, 4.6/63=3...(6) H LEU 43 - HG3 ARG 21 OK 10 58 - 17 - 1372/1.8=5, 4486/3.9=3...(6) H LYS 62 - HG3 ARG 21 lone 8 96 - 8 - 1372/1.8=2, 329=2 H ASN 54 - HG3 ARG 21 lone 6 93 - 6 - 1372/1.8=2, 4.6/3395=1 H LEU 43 - HG2 ARG 61 lone 3 65 - 4 - H LEU 43 - HG3 ARG 61 lone 3 65 - 4 - H ASN 54 - HG2 ARG 61 lone 2 99 - 2 - H ASN 54 - HG3 ARG 61 lone 2 99 - 2 - H SER 66 - HG2 ARG 61 lone 1 81 - 2 - H SER 66 - HG3 ARG 61 lone 1 80 - 2 - H SER 66 - HG3 ARG 21 lone 1 73 - 2 - Peak 3613 from cnoeabs.peaks (8.30, 1.59, 27.31 ppm; 4.66 A): 3 out of 15 assignments used, quality = 1.00: * H LYS 62 + HG3 ARG 61 OK 95 100 - 95 - 5.0=82, 328/2.9=34...(13) H LYS 62 + HG2 ARG 61 OK 95 100 - 95 - 5.0=82, 328/2.9=34...(13) H ARG 21 + HG3 ARG 21 OK 89 89 - 100 - 4.7=97, 1372/1.8=32...(16) H ARG 21 - HG3 ARG 61 OK 15 97 - 15 - 550=3, 4.6/63=3...(6) H ARG 21 - HG2 ARG 61 OK 15 97 - 15 - 550=3, 4.6/63=3...(6) H LEU 43 - HG3 ARG 21 poor 10 57 - 17 - 1372/1.8=5, 4486/3.9=3...(6) H LYS 62 - HG3 ARG 21 lone 8 94 - 8 - 1372/1.8=2, 329=2 H ASN 54 - HG3 ARG 21 lone 6 92 - 6 - 1372/1.8=2, 4.6/3395=1 H LEU 43 - HG2 ARG 61 lone 3 65 - 4 - H LEU 43 - HG3 ARG 61 lone 3 65 - 4 - H ASN 54 - HG2 ARG 61 lone 2 99 - 2 - H ASN 54 - HG3 ARG 61 lone 2 99 - 2 - H SER 66 - HG3 ARG 61 lone 1 81 - 2 - H SER 66 - HG2 ARG 61 lone 1 80 - 2 - H SER 66 - HG3 ARG 21 lone 1 71 - 2 - Peak 3616 from cnoeabs.peaks (8.38, 4.26, 56.57 ppm; 3.91 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 63 + HA LYS 62 OK 100 100 - 100 - 3.6=100 Peak 3617 from cnoeabs.peaks (8.38, 1.83, 32.70 ppm; 5.31 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 63 + HB2 LYS 62 OK 100 100 - 100 - 4.3=100 Peak 3618 from cnoeabs.peaks (8.38, 1.77, 32.70 ppm; 5.55 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 63 + HB3 LYS 62 OK 100 100 - 100 - 4.3=100 Peak 3625 from cnoeabs.peaks (8.38, 4.31, 55.97 ppm; 3.35 A): 1 out of 1 assignment used, quality = 0.98: H GLN 63 + HA GLN 63 OK 98 98 - 100 - 3.0=100 Reference assignment not found: H LEU 64 - HA GLN 63 Peak 3626 from cnoeabs.peaks (8.38, 2.08, 29.35 ppm; 4.46 A): 1 out of 1 assignment used, quality = 0.98: H GLN 63 + HB2 GLN 63 OK 98 98 - 100 - 3.9=100 Reference assignment not found: H LEU 64 - HB2 GLN 63 Peak 3627 from cnoeabs.peaks (8.38, 2.00, 29.35 ppm; 4.12 A): 1 out of 1 assignment used, quality = 0.98: H GLN 63 + HB3 GLN 63 OK 98 98 - 100 - 3.9=100 Reference assignment not found: H LEU 64 - HB3 GLN 63 Peak 3628 from cnoeabs.peaks (8.38, 2.36, 33.72 ppm; 4.47 A): 2 out of 12 assignments used, quality = 0.96: H GLN 63 + HG2 GLN 63 OK 81 98 - 83 - 5.1=66, 829/3.0=35, 830/1.8=20 H GLN 63 + HG3 GLN 63 OK 81 98 - 83 - 5.1=66, 829/3.0=35...(4) ! H LEU 64 - HG2 GLN 63 OK 44 100 - 44 - 344/3.7=35, 914/5.1=13 H LEU 64 - HG3 GLN 63 OK 44 100 - 44 - 344/3.7=35, 914/5.1=13 H GLU 20 - HG3 GLN 53 poor 9 60 - 15 - 541/3.0=3, 543/1.8=2...(7) H GLU 67 - HG3 GLN 53 lone 3 80 - 4 - 4.7/270=1 H GLU 20 - HG3 GLN 63 lone 2 70 - 3 - H GLU 20 - HG2 GLN 63 lone 2 71 - 3 - H GLN 63 - HG3 GLN 53 lone 2 88 - 2 - H LEU 64 - HG3 GLN 53 lone 2 92 - 2 - H GLU 67 - HG3 GLN 63 lone 1 91 - 2 - H GLU 67 - HG2 GLN 63 lone 1 92 - 2 - Peak 3629 from cnoeabs.peaks (8.38, 2.36, 33.72 ppm; 4.47 A): 2 out of 12 assignments used, quality = 0.96: H GLN 63 + HG3 GLN 63 OK 81 98 - 83 - 5.1=66, 829/3.0=35...(4) H GLN 63 + HG2 GLN 63 OK 81 98 - 83 - 5.1=66, 829/3.0=35...(4) ! H LEU 64 - HG3 GLN 63 OK 44 100 - 44 - 344/3.7=35, 914/5.1=13 H LEU 64 - HG2 GLN 63 OK 44 100 - 44 - 344/3.7=35, 914/5.1=13 H GLU 20 - HG3 GLN 53 poor 10 63 - 15 - 541/3.0=3, 543/1.8=2...(7) H GLU 67 - HG3 GLN 53 lone 3 84 - 4 - 4.7/270=2 H GLU 20 - HG3 GLN 63 lone 3 71 - 3 - 3.6/3702=1 H GLU 20 - HG2 GLN 63 lone 2 70 - 3 - H GLN 63 - HG3 GLN 53 lone 2 92 - 2 - H LEU 64 - HG3 GLN 53 lone 2 96 - 2 - H GLU 67 - HG3 GLN 63 lone 1 92 - 2 - H GLU 67 - HG2 GLN 63 lone 1 91 - 2 - Peak 3630 from cnoeabs.peaks (8.35, 4.37, 55.19 ppm; 3.93 A): 1 out of 1 assignment used, quality = 1.00: * H SER 65 + HA LEU 64 OK 100 100 - 100 - 3.6=100 Peak 3632 from cnoeabs.peaks (8.35, 1.62, 42.38 ppm; 4.62 A): 1 out of 1 assignment used, quality = 1.00: * H SER 65 + HB3 LEU 64 OK 100 100 - 100 - 4.4=100 Peak 3634 from cnoeabs.peaks (8.35, 0.91, 25.32 ppm; 5.16 A): 2 out of 3 assignments used, quality = 0.64: * H SER 65 + QD1 LEU 64 OK 53 100 - 53 - 351/4.7=30, 3635/2.1=20...(4) H GLN 63 + QD1 LEU 64 OK 23 81 - 28 - 914/4.7=19, 3635/2.1=8 H LEU 43 - QD1 LEU 64 lone 6 68 - 8 - 3635/2.1=3, ~2230=1 Peak 3635 from cnoeabs.peaks (8.35, 0.85, 23.25 ppm; 4.85 A): 3 out of 9 assignments used, quality = 0.68: * H SER 65 + QD2 LEU 64 OK 54 100 - 54 - 351/4.7=27, 3634/2.1=22 H GLN 63 + QD2 LEU 64 OK 22 81 - 28 - 914/4.7=17, 3634/2.1=10 H LEU 43 + QD2 LEU 68 OK 11 54 - 20 - 4.4/3651=4, 4.5/203=3...(7) H LEU 43 - QD1 LEU 68 poor 10 50 - 20 - 4.4/3651=4, 686=3...(7) H LEU 43 - QD2 LEU 64 poor 9 68 - 13 - 3634/2.1=3, 4.4/3651=2...(5) H SER 65 - QD2 LEU 68 lone 3 89 - 3 - 3.6/3207=1 H SER 65 - QD1 LEU 68 lone 2 83 - 3 - 3.6/3207=1 H GLN 63 - QD2 LEU 68 lone 1 66 - 2 - H GLN 63 - QD1 LEU 68 lone 1 60 - 2 - Peak 3636 from cnoeabs.peaks (8.28, 4.43, 58.54 ppm; 4.30 A): 2 out of 2 assignments used, quality = 1.00: * H SER 66 + HA SER 65 OK 100 100 - 100 - 3.6=100 H SER 66 + HA SER 66 OK 61 61 - 100 - 3.0=100 Peak 3639 from cnoeabs.peaks (8.40, 4.45, 58.33 ppm; 4.15 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 67 + HA SER 66 OK 100 100 - 100 - 3.6=100 Peak 3640 from cnoeabs.peaks (8.40, 3.94, 63.84 ppm; 5.42 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 67 + HB2 SER 66 OK 100 100 - 100 - 4.4=100 Peak 3642 from cnoeabs.peaks (8.14, 4.31, 56.58 ppm; 4.23 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 68 + HA GLU 67 OK 100 100 - 100 - 3.6=100 Peak 3643 from cnoeabs.peaks (8.14, 2.09, 29.91 ppm; 5.43 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 68 + HB2 GLU 67 OK 100 100 - 100 - 4.7=100 Peak 3644 from cnoeabs.peaks (8.14, 1.96, 29.91 ppm; 4.51 A): 1 out of 18 assignments used, quality = 0.97: * H LEU 68 + HB3 GLU 67 OK 97 100 - 97 - 4.7=91, 367/3.0=38...(4) H ALA 35 - HB2 ARG 21 OK 19 70 - 27 - 3713/3.0=5, 142/3.0=4...(8) H ALA 35 - HB3 ARG 21 OK 17 64 - 27 - 3713/3.0=5, 141/1.8=4...(8) H SER 24 - HB2 ARG 21 OK 11 62 - 18 - 962/4.5=10, 3713/3.0=6 H THR 46 - HB2 ARG 21 OK 11 74 - 15 - 962/4.5=7, 3713/3.0=5 H SER 24 - HB3 ARG 21 poor 10 57 - 18 - 962/4.5=10, 3713/3.0=6 H THR 46 - HB3 ARG 21 poor 10 68 - 14 - 962/4.5=7, 3713/3.0=5 H ALA 35 - HB3 GLU 67 lone 8 98 - 8 - ~4361=1, 917/4.0=1, 141=1 H LEU 68 - HB2 ARG 21 lone 6 74 - 8 - 962/4.5=3, 3713/3.0=2, 4.6/852=2 H LEU 68 - HB3 ARG 21 lone 6 68 - 8 - 962/4.5=3, 3713/3.0=2, 4.6/852=1 H THR 46 - HB3 GLU 67 lone 3 100 - 3 - H SER 24 - HB3 GLU 67 lone 2 92 - 2 - H LYS 27 - HB2 ARG 21 lone 2 51 - 4 - 962/4.5=1, 3713/3.0=1 H LYS 27 - HB3 ARG 21 lone 2 46 - 4 - 962/4.5=1, 3713/3.0=1 H LYS 27 - HB3 GLU 67 lone 2 78 - 2 - H ARG 61 - HB3 GLU 67 lone 1 57 - 2 - H ARG 61 - HB2 ARG 21 lone 1 35 - 3 - H ARG 61 - HB3 ARG 21 lone 1 32 - 3 - Peak 3647 from cnoeabs.peaks (7.90, 4.36, 54.95 ppm; 4.17 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 69 + HA LEU 68 OK 100 100 - 100 - 3.6=100 Peak 3648 from cnoeabs.peaks (7.90, 1.64, 42.41 ppm; 5.21 A): 3 out of 3 assignments used, quality = 1.00: * H GLY 69 + HB2 LEU 68 OK 100 100 - 100 - 4.3=100 H GLY 69 + HB3 LEU 68 OK 99 99 - 100 - 4.3=100 H LYS 42 + HB2 LEU 41 OK 57 57 - 100 - 4.6=100 Peak 3649 from cnoeabs.peaks (7.90, 1.63, 42.41 ppm; 4.68 A): 3 out of 3 assignments used, quality = 1.00: * H GLY 69 + HB3 LEU 68 OK 100 100 - 100 - 4.3=100 H GLY 69 + HB2 LEU 68 OK 99 99 - 100 - 4.3=100 H LYS 42 + HB2 LEU 41 OK 75 75 - 100 - 4.6=100 Peak 3651 from cnoeabs.peaks (7.90, 0.86, 23.20 ppm; 4.79 A): 0 out of 9 assignments used, low quality = 0.45: H LYS 42 - QD2 LEU 68 OK 15 99 - 15 - 183/2.1=4, 4.4/686=3...(5) H LYS 42 - QD1 LEU 68 OK 15 100 - 15 - 183/2.1=4, 4.4/686=3...(5) ! H GLY 69 - QD1 LEU 68 OK 13 100 - 13 - 3.6/3326=11 H GLY 69 - QD2 LEU 68 OK 12 99 - 12 - 3.6/3326=11 H LYS 42 - QD2 LEU 64 poor 9 82 - 10 - 4.4/686=2, 183/3.1=2...(5) H THR 14 - QD1 LEU 68 lone 2 89 - 2 - H THR 14 - QD2 LEU 68 lone 2 87 - 2 - H GLY 69 - QD2 LEU 64 lone 2 83 - 2 - H THR 14 - QD2 LEU 64 lone 1 68 - 2 - Peak 3657 from cnoeabs.peaks (1.63, 4.59, 56.52 ppm; 4.59 A): 1 out of 10 assignments used, quality = 0.68: * HB3 GLN 15 + HA SER 12 OK 68 100 - 68 - 4014/2.9=32, ~4013=23...(6) HB3 LEU 68 - HA SER 12 lone 7 100 - 7 - 4739/2.9=3, ~4739=2 HB2 LEU 68 - HA SER 12 lone 7 100 - 7 - 4739/2.9=3, ~4739=2 HG LEU 68 - HA SER 12 lone 5 87 - 6 - 4739/2.9=2, ~4739=2 HG LEU 64 - HA SER 12 lone 5 99 - 5 - 4739/2.9=2 HB3 LEU 64 - HA SER 12 lone 4 90 - 4 - 4739/2.9=1 HB2 LEU 41 - HA SER 12 lone 3 90 - 3 - 4739/2.9=2 HB2 LEU 64 - HA SER 12 lone 2 63 - 4 - HD3 LYS 42 - HA SER 12 lone 1 65 - 2 - HG3 ARG 21 - HA SER 12 lone 1 60 - 2 - Peak 3661 from cnoeabs.peaks (7.83, 4.38, 59.74 ppm; 4.35 A): 1 out of 1 assignment used, quality = 0.75: * H VAL 16 + HA HIS 13 OK 75 100 - 75 - 923/3.6=26, 3.9/3662=26...(7) Peak 3662 from cnoeabs.peaks (2.07, 4.38, 59.74 ppm; 3.50 A): 1 out of 8 assignments used, quality = 0.57: * HB VAL 16 + HA HIS 13 OK 57 100 - 57 - 3663=21, 2.1/4744=17...(6) HB2 LYS 22 - HA HIS 13 lone 3 87 - 4 - HG3 GLU 45 - HA HIS 13 lone 2 100 - 2 - HG3 PRO 32 - HA HIS 13 lone 2 73 - 2 - HB3 GLU 45 - HA HIS 13 lone 1 63 - 2 - HB2 GLN 63 - HA HIS 13 lone 1 100 - 1 - HB2 GLU 45 - HA HIS 13 lone 1 57 - 2 - HB2 GLU 67 - HA HIS 13 lone 1 96 - 1 - Peak 3663 from cnoeabs.peaks (4.38, 2.07, 31.49 ppm; 3.82 A): 5 out of 8 assignments used, quality = 0.82: * HA HIS 13 + HB VAL 16 OK 72 100 - 72 - 3662=41, 3661/3.9=20...(6) HA ASN 40 + HB VAL 16 OK 12 100 - 12 - 4050/2.1=3, 4052/2.1=3...(6) HB2 SER 12 + HB VAL 16 OK 11 100 - 11 - 930/3.9=3, 4050/2.1=3...(5) HA LYS 22 + HB VAL 16 OK 10 73 - 14 - 4050/2.1=3, 4052/2.1=3...(7) HA PRO 32 + HB VAL 16 OK 10 99 - 10 - 4052/2.1=2, 4050/2.1=2...(4) HA LEU 68 - HB VAL 16 lone 7 96 - 7 - 930/3.9=1, 4050/2.1=1 HA LEU 64 - HB VAL 16 lone 6 100 - 5 - 4052/2.1=1, 4050/2.1=1 HA ASN 54 - HB VAL 16 lone 5 83 - 6 - 4050/2.1=1, 4052/2.1=1 Peak 3664 from cnoeabs.peaks (8.01, 4.38, 59.74 ppm; 5.36 A): 2 out of 7 assignments used, quality = 0.80: * H ILE 17 + HA HIS 13 OK 78 100 - 78 - 4.5/3661=33, 4.4/3662=32...(8) H HIS 36 + HA HIS 13 OK 10 83 - 12 - 3.7/3729=2, 986=2...(5) H LEU 19 - HA HIS 13 poor 10 68 - 14 - 868/3661=3, 3366/3662=2...(6) H LYS 22 - HA HIS 13 poor 8 83 - 10 - 4.0/3662=2, 868/3661=2 H ASN 40 - HA HIS 13 lone 5 99 - 5 - 3366/3662=1 H GLN 53 - HA HIS 13 lone 3 73 - 4 - H LYS 60 - HA HIS 13 lone 2 65 - 3 - Peak 3666 from cnoeabs.peaks (8.01, 3.81, 65.62 ppm; 4.19 A): 3 out of 7 assignments used, quality = 0.87: * H ILE 17 + HA THR 14 OK 81 100 - 81 - 4.0/4003=22, 4.6/4002=22...(8) H LEU 19 + HA THR 14 OK 22 68 - 33 - 4.7/3669=13, 927/3.6=4...(11) H ASN 40 + HA THR 14 OK 10 99 - 10 - 927/3.6=2, 1005/3.0=1 H HIS 36 - HA THR 14 lone 8 83 - 10 - 927/3.6=2, 935=1, 1225/4002=1 H LYS 22 - HA THR 14 lone 8 83 - 10 - 927/3.6=2, 1218/4003=2...(4) H GLN 53 - HA THR 14 lone 4 73 - 5 - H LYS 60 - HA THR 14 lone 2 65 - 2 - Peak 3667 from cnoeabs.peaks (1.84, 3.81, 65.62 ppm; 3.54 A): 2 out of 10 assignments used, quality = 0.87: * HB ILE 17 + HA THR 14 OK 85 100 - 85 - 3668=31, 3.0/4002=23...(12) HG LEU 41 + HA THR 14 OK 18 60 - 30 - ~4452=7, 2.1/4004=7...(7) HB3 ARG 34 - HA THR 14 lone 5 81 - 7 - ~4317=2, 3.0/4005=1 HG2 ARG 21 - HA THR 14 lone 5 81 - 6 - 4807/4003=3, 34/3669=1 HB3 MET 11 - HA THR 14 lone 4 100 - 4 - HB3 GLN 47 - HA THR 14 lone 2 96 - 2 - HD2 LYS 22 - HA THR 14 lone 2 85 - 2 - HB2 LYS 60 - HA THR 14 lone 1 100 - 1 - HB2 LYS 62 - HA THR 14 lone 1 97 - 1 - HB2 ARG 61 - HA THR 14 lone 1 65 - 1 - Peak 3668 from cnoeabs.peaks (3.81, 1.84, 37.27 ppm; 3.50 A): 3 out of 4 assignments used, quality = 0.91: * HA THR 14 + HB ILE 17 OK 84 100 - 85 - 3667=33, 4002/3.0=23...(12) HA GLN 15 + HB ILE 17 OK 31 85 - 37 - 3671/4.5=7, 3.6/4055=7...(10) HD3 PRO 32 + HB ILE 17 OK 13 95 - 13 - 4075/2.1=2, 4077/3.0=2...(6) HA ARG 34 - HB ILE 17 poor 10 76 - 13 - 4075/2.1=2, 4078/3.0=2...(6) Peak 3669 from cnoeabs.peaks (7.55, 3.81, 65.62 ppm; 4.68 A): 2 out of 4 assignments used, quality = 0.79: * H GLU 18 + HA THR 14 OK 74 100 - 74 - 4.3/4003=26, 4.5/3667=21...(13) H TYR 57 + HA THR 14 OK 18 96 - 19 - 941=4, 3372/4002=3...(7) QE PHE 52 - HA THR 14 poor 8 76 - 11 - 4730/4003=2, ~4729=1...(5) HE21 GLN 63 - HA THR 14 lone 4 83 - 5 - Peak 3671 from cnoeabs.peaks (7.55, 3.79, 59.35 ppm; 4.35 A): 3 out of 4 assignments used, quality = 0.76: * H GLU 18 + HA GLN 15 OK 68 100 - 68 - 932/3.6=17, 940=16...(15) H TYR 57 + HA GLN 15 OK 16 96 - 17 - 932/3.6=4, 940=3, 4042/4.8=2 QE PHE 52 + HA GLN 15 OK 13 76 - 17 - 4042/4.8=4, 932/3.6=4...(4) HE21 GLN 63 - HA GLN 15 lone 6 83 - 7 - 932/3.6=2, 4042/4.8=1 Peak 3672 from cnoeabs.peaks (2.00, 3.79, 59.35 ppm; 3.84 A): 4 out of 10 assignments used, quality = 0.91: HB3 GLU 18 + HA GLN 15 OK 55 100 - 56 - 3.9/3671=13, 3.0/4096=10...(15) * HB2 GLU 18 + HA GLN 15 OK 55 100 - 56 - 3.9/3671=13, 3.0/4096=10...(15) HB2 MET 11 + HA GLN 15 OK 48 100 - 48 - 4729/3.6=18, 4822/3.8=13...(11) HG2 PRO 32 + HA GLN 15 OK 12 93 - 12 - 2.3/1148=2, ~4018=2...(6) HB3 GLN 63 - HA GLN 15 lone 7 100 - 7 - ~4018=1, 4.6/3671=1 HB3 GLN 26 - HA GLN 15 poor 7 65 - 11 - 3.0/1148=2, 3.0/1148=2...(6) HB2 GLN 26 - HA GLN 15 poor 7 65 - 11 - 3.0/1148=2, 3.0/1148=2...(6) HB3 ARG 21 - HA GLN 15 lone 6 68 - 9 - 4056/3.6=2, 1371/4.8=1 HB2 ARG 21 - HA GLN 15 lone 5 60 - 9 - 4056/3.6=2, 1371/4.8=1 HD3 ARG 55 - HA GLN 15 lone 3 73 - 4 - 4022/2.9=1, 4056/3.6=1 Peak 3673 from cnoeabs.peaks (3.79, 2.00, 29.57 ppm; 4.28 A): 4 out of 15 assignments used, quality = 0.98: * HA GLN 15 + HB2 GLU 18 OK 67 100 - 68 - 3671/3.9=16, 3672=13...(15) HA GLN 15 + HB3 GLU 18 OK 67 100 - 68 - 3671/3.9=16, 3672=13...(15) HA THR 14 + HB2 GLU 18 OK 56 85 - 66 - 3669/3.9=12, ~4090=12...(13) HA THR 14 + HB3 GLU 18 OK 56 85 - 66 - 3669/3.9=12, ~4090=12...(13) HA ARG 34 - HB2 GLU 18 OK 25 100 - 25 - 4096/3.0=5, 946/4.3=4...(9) HA ARG 34 - HB3 GLU 18 OK 25 100 - 25 - 4096/3.0=5, 946/4.3=4...(9) HD3 PRO 32 - HB3 GLU 18 OK 13 99 - 13 - 4096/3.0=2, 940/3.9=2...(4) HD3 PRO 32 - HB2 GLU 18 OK 13 99 - 13 - 4096/3.0=2, 940/3.9=2...(4) HA GLN 15 - HB3 GLN 63 lone 9 89 - 10 - 3674=2, ~4018=2...(4) HA ILE 50 - HB2 GLU 18 lone 7 83 - 9 - 4096/3.0=2, 940/3.9=1...(4) HA ILE 50 - HB3 GLU 18 lone 7 83 - 9 - 4096/3.0=2, 940/3.9=1...(4) HA THR 14 - HB3 GLN 63 lone 3 70 - 4 - HA ARG 34 - HB3 GLN 63 lone 2 89 - 2 - HA ILE 50 - HB3 GLN 63 lone 2 68 - 2 - HD3 PRO 32 - HB3 GLN 63 lone 2 88 - 2 - Peak 3674 from cnoeabs.peaks (2.00, 3.79, 59.35 ppm; 3.84 A): 4 out of 10 assignments used, quality = 0.91: * HB3 GLU 18 + HA GLN 15 OK 55 100 - 56 - 3.9/3671=13, 3.0/4096=10...(15) HB2 GLU 18 + HA GLN 15 OK 55 100 - 56 - 3.9/3671=13, 3.0/4096=10...(15) HB2 MET 11 + HA GLN 15 OK 48 100 - 48 - 4729/3.6=18, 4822/3.8=13...(11) HG2 PRO 32 + HA GLN 15 OK 12 93 - 12 - 2.3/1148=2, ~4018=2...(6) HB3 GLN 63 - HA GLN 15 lone 7 100 - 7 - ~4018=1, 4.6/3671=1 HB3 GLN 26 - HA GLN 15 poor 7 65 - 11 - 3.0/1148=2, 3.0/1148=2...(6) HB2 GLN 26 - HA GLN 15 poor 7 65 - 11 - 3.0/1148=2, 3.0/1148=2...(6) HB3 ARG 21 - HA GLN 15 lone 6 68 - 9 - 4056/3.6=2, 1371/4.8=1 HB2 ARG 21 - HA GLN 15 lone 5 60 - 9 - 4056/3.6=2, 1371/4.8=1 HD3 ARG 55 - HA GLN 15 lone 3 73 - 4 - 4022/2.9=1, 4056/3.6=1 Peak 3675 from cnoeabs.peaks (3.79, 2.00, 29.57 ppm; 4.28 A): 4 out of 15 assignments used, quality = 0.98: HA GLN 15 + HB2 GLU 18 OK 67 100 - 68 - 3671/3.9=16, 3672=13...(15) * HA GLN 15 + HB3 GLU 18 OK 67 100 - 68 - 3671/3.9=16, 3672=13...(15) HA THR 14 + HB2 GLU 18 OK 56 85 - 66 - 3669/3.9=12, ~4090=12...(13) HA THR 14 + HB3 GLU 18 OK 56 85 - 66 - 3669/3.9=12, ~4090=12...(13) HA ARG 34 - HB2 GLU 18 OK 25 100 - 25 - 4096/3.0=5, 946/4.3=4...(9) HA ARG 34 - HB3 GLU 18 OK 25 100 - 25 - 4096/3.0=5, 946/4.3=4...(9) HD3 PRO 32 - HB3 GLU 18 OK 13 99 - 13 - 4096/3.0=2, 940/3.9=2...(4) HD3 PRO 32 - HB2 GLU 18 OK 13 99 - 13 - 4096/3.0=2, 940/3.9=2...(4) HA GLN 15 - HB3 GLN 63 lone 9 89 - 10 - 3674=2, ~4018=2...(4) HA ILE 50 - HB2 GLU 18 lone 7 83 - 9 - 4096/3.0=2, 940/3.9=1...(4) HA ILE 50 - HB3 GLU 18 lone 7 83 - 9 - 4096/3.0=2, 940/3.9=1...(4) HA THR 14 - HB3 GLN 63 lone 3 70 - 4 - HA ARG 34 - HB3 GLN 63 lone 2 89 - 2 - HA ILE 50 - HB3 GLN 63 lone 2 68 - 2 - HD3 PRO 32 - HB3 GLN 63 lone 2 88 - 2 - Peak 3676 from cnoeabs.peaks (7.98, 3.79, 59.35 ppm; 5.07 A): 3 out of 4 assignments used, quality = 0.86: * H LEU 19 + HA GLN 15 OK 66 100 - 66 - 946=22, 4.7/3671=19...(11) H ILE 17 + HA GLN 15 OK 49 68 - 72 - 27/3.6=21, 4.6/3671=20...(12) H HIS 36 + HA GLN 15 OK 19 99 - 18 - 983=4, 4.7/990=4...(6) H LYS 60 - HA GLN 15 lone 4 100 - 4 - Peak 3678 from cnoeabs.peaks (7.98, 3.23, 67.30 ppm; 4.32 A): 1 out of 1 assignment used, quality = 0.68: H ILE 17 + HA VAL 16 OK 68 68 - 100 - 3.6=100 Reference assignment not found: H LEU 19 - HA VAL 16 Peak 3679 from cnoeabs.peaks (0.71, 3.23, 67.30 ppm; 3.96 A): 3 out of 3 assignments used, quality = 0.95: * HB2 LEU 19 + HA VAL 16 OK 83 100 - 83 - 1.8/3681=22, 3.1/4769=19...(17) QD1 ILE 17 + HA VAL 16 OK 59 98 - 60 - 4083/3.0=19, 525/3.6=14...(14) QD1 LEU 41 + HA VAL 16 OK 23 97 - 24 - 4454/4.8=6, 4817/4769=4...(7) Peak 3680 from cnoeabs.peaks (3.23, 0.71, 37.72 ppm; 4.58 A): 2 out of 5 assignments used, quality = 0.95: * HA VAL 16 + HB2 LEU 19 OK 92 100 - 92 - 3681/1.8=31, 3679=25...(18) HD3 ARG 21 + HB2 LEU 19 OK 36 98 - 37 - 4119/3.1=9, 945/4.0=9...(10) HD2 ARG 21 - HB2 LEU 19 OK 20 71 - 29 - ~4119=7, 4112/3.0=5...(7) HB2 HIS 13 - HB2 LEU 19 OK 14 95 - 14 - 4.0/4705=3, 4112/3.0=2...(6) HB2 HIS 10 - HB2 LEU 19 lone 2 73 - 3 - Peak 3681 from cnoeabs.peaks (-0.76, 3.23, 67.30 ppm; 5.24 A): 1 out of 1 assignment used, quality = 0.93: * HB3 LEU 19 + HA VAL 16 OK 93 100 - 93 - 3.1/4769=28, 1.8/3680=26...(16) Peak 3683 from cnoeabs.peaks (8.41, 3.23, 67.30 ppm; 5.07 A): 1 out of 4 assignments used, quality = 0.88: * H GLU 20 + HA VAL 16 OK 88 100 - 88 - 951=26, 4.4/3681=25...(14) H GLU 67 - HA VAL 16 lone 5 97 - 5 - H ALA 38 - HA VAL 16 lone 5 65 - 7 - 987/3.6=2, 996/4.8=2 H LEU 64 - HA VAL 16 lone 5 71 - 6 - ~930=1, ~3663=1 Peak 3684 from cnoeabs.peaks (7.98, 3.69, 64.32 ppm; 4.26 A): 1 out of 1 assignment used, quality = 0.68: H ILE 17 + HA ILE 17 OK 68 68 - 100 - 3.0=100 Reference assignment not found: H LEU 19 - HA ILE 17 Peak 3685 from cnoeabs.peaks (8.41, 3.69, 64.32 ppm; 4.41 A): 1 out of 4 assignments used, quality = 0.93: * H GLU 20 + HA ILE 17 OK 93 100 - 93 - 950=50, 4.0/3687=25...(13) H GLU 67 - HA ILE 17 poor 10 97 - 10 - 942/3.6=3, 52/956=1...(5) H ALA 38 - HA ILE 17 poor 7 65 - 10 - 942/3.6=2, 987/3.0=2...(4) H LEU 64 - HA ILE 17 lone 3 71 - 5 - Peak 3686 from cnoeabs.peaks (2.16, 3.69, 64.32 ppm; 4.01 A): 2 out of 4 assignments used, quality = 0.88: * HB2 GLU 20 + HA ILE 17 OK 87 100 - 87 - 3687=43, 1.8/3689=32...(11) HB2 GLN 53 + HA ILE 17 OK 13 93 - 13 - 3687=4, 4.4/3690=2...(5) HB VAL 48 - HA ILE 17 lone 7 100 - 6 - 2.1/4763=4 HB3 LYS 42 - HA ILE 17 lone 5 97 - 5 - 54/956=2, 4.7/3690=1 Peak 3687 from cnoeabs.peaks (3.69, 2.16, 28.89 ppm; 4.11 A): 1 out of 2 assignments used, quality = 0.86: * HA ILE 17 + HB2 GLU 20 OK 86 100 - 87 - 3686=39, 3689/1.8=33...(10) HA ILE 17 - HB2 GLN 53 poor 7 47 - 15 - 3686=6, 3690/4.4=2...(5) Peak 3688 from cnoeabs.peaks (2.04, 3.69, 64.32 ppm; 4.05 A): 4 out of 7 assignments used, quality = 0.93: * HB3 GLU 20 + HA ILE 17 OK 87 100 - 88 - 3689=39, 1.8/3687=34...(13) HB2 GLU 45 + HA ILE 17 OK 18 100 - 18 - 3689=5, 1.8/3689=4...(4) HB3 GLU 45 + HA ILE 17 OK 18 99 - 18 - 3689=5, 1.8/3689=5...(4) HB2 LYS 22 + HA ILE 17 OK 13 90 - 15 - 1414/3.0=2, 1.8/4068=2...(6) HB3 ARG 56 - HA ILE 17 lone 4 100 - 4 - 290/3.6=1 HB2 GLN 26 - HA ILE 17 lone 1 87 - 1 - HB3 GLN 26 - HA ILE 17 lone 1 87 - 1 - Peak 3689 from cnoeabs.peaks (3.69, 2.04, 28.89 ppm; 3.74 A): 3 out of 3 assignments used, quality = 0.83: * HA ILE 17 + HB3 GLU 20 OK 79 100 - 79 - 3687/1.8=29, 3688=24...(12) HA ILE 17 + HB2 GLU 45 OK 11 67 - 16 - 3688=5, 3688/1.8=4, 4068/3.0=2 HA ILE 17 + HB3 GLU 45 OK 10 65 - 16 - 3688=5, 3688/1.8=4, 4068/3.0=2 Peak 3690 from cnoeabs.peaks (8.31, 3.69, 64.32 ppm; 5.12 A): 1 out of 4 assignments used, quality = 0.95: * H ARG 21 + HA ILE 17 OK 95 100 - 95 - 956=50, 4.1/3687=32...(14) H ASN 54 - HA ILE 17 OK 14 89 - 16 - 4.4/3686=4, 872/950=2...(6) H LEU 43 - HA ILE 17 lone 8 89 - 9 - 947/943=2, 872/950=2, 4.7/3686=1 H LYS 62 - HA ILE 17 lone 5 97 - 5 - Peak 3691 from cnoeabs.peaks (8.41, 4.19, 58.41 ppm; 5.06 A): 2 out of 4 assignments used, quality = 0.79: * H GLU 20 + HA GLU 18 OK 74 100 - 75 - 871/3.6=36, 4.6/3692=26...(12) H GLU 67 + HA GLU 18 OK 17 97 - 17 - 942/3.0=4, 871/3.6=3...(6) H ALA 38 - HA GLU 18 poor 7 65 - 11 - 942/3.0=2, 871/3.6=2...(4) H LEU 64 - HA GLU 18 lone 5 71 - 6 - 942/3.0=1 Peak 3692 from cnoeabs.peaks (8.31, 4.19, 58.41 ppm; 3.88 A): 1 out of 4 assignments used, quality = 0.79: * H ARG 21 + HA GLU 18 OK 79 100 - 79 - 955=24, 4134/3.0=17...(14) H LEU 43 - HA GLU 18 lone 8 89 - 9 - 947/3.6=3 H ASN 54 - HA GLU 18 lone 7 89 - 8 - 947/3.6=2, 4.6/3697=1, ~3831=1 H LYS 62 - HA GLU 18 lone 3 97 - 3 - Peak 3693 from cnoeabs.peaks (1.97, 4.19, 58.41 ppm; 2.98 A): 4 out of 9 assignments used, quality = 0.96: HB3 GLU 18 + HA GLU 18 OK 59 60 - 99 - 3.0=98, 3.0/1251=11...(12) HB2 GLU 18 + HA GLU 18 OK 59 60 - 99 - 3.0=98, 3.0/1251=11...(12) * HB2 ARG 21 + HA GLU 18 OK 54 100 - 54 - 3696=14, 1.8/3696=10...(12) HB3 ARG 21 + HA GLU 18 OK 54 100 - 54 - 3696=14, 1.8/3696=10...(12) HD3 LYS 22 - HA GLU 18 lone 6 99 - 6 - 6.1/961=3, 3.5/1251=1 HB2 ARG 34 - HA GLU 18 lone 5 63 - 8 - 1.8/3724=2, 3722=1, 3.9/976=1 HG2 PRO 32 - HA GLU 18 lone 4 92 - 4 - HB3 GLU 67 - HA GLU 18 lone 3 99 - 3 - 4.0/3691=1 HD3 ARG 55 - HA GLU 18 lone 3 100 - 3 - Peak 3694 from cnoeabs.peaks (4.19, 1.97, 30.19 ppm; 3.14 A): 4 out of 9 assignments used, quality = 0.85: * HA GLU 18 + HB2 ARG 21 OK 54 100 - 54 - 3692/4.0=12, 3693=11...(12) HA GLU 18 + HB3 ARG 21 OK 54 100 - 54 - 3692/4.0=12, 3693=11...(12) HA ALA 31 + HB3 ARG 21 OK 17 88 - 19 - 4138/3.0=4, 3721/1.8=3...(8) HA ALA 31 + HB2 ARG 21 OK 16 89 - 18 - 4138/3.0=4, 4140/3.5=3...(8) HA GLU 20 - HB2 ARG 21 poor 9 65 - 14 - 3.6/547=8, 961/4.5=4, 4139/3.5=2 HA GLU 20 - HB3 ARG 21 poor 9 64 - 14 - 3.6/547=8, 961/4.5=4, 4139/3.5=2 HA GLU 18 - HB3 GLU 67 lone 3 74 - 3 - 3691/4.0=2 HA ALA 31 - HB3 GLU 67 lone 2 59 - 4 - HA GLU 20 - HB3 GLU 67 lone 0 41 - 1 - Peak 3695 from cnoeabs.peaks (1.97, 4.19, 58.41 ppm; 2.98 A): 4 out of 10 assignments used, quality = 0.98: HB3 GLU 18 + HA GLU 18 OK 67 68 - 99 - 3.0=98, 3.0/1251=11...(12) HB2 GLU 18 + HA GLU 18 OK 67 68 - 99 - 3.0=98, 3.0/1251=11...(12) * HB3 ARG 21 + HA GLU 18 OK 54 100 - 54 - 3696=14, 1.8/3696=10...(12) HB2 ARG 21 + HA GLU 18 OK 54 100 - 54 - 3696=14, 1.8/3696=10...(12) HD3 LYS 22 - HA GLU 18 lone 6 98 - 6 - 6.1/961=3, 3.5/1251=1 HG2 PRO 32 - HA GLU 18 lone 4 96 - 4 - HB3 GLU 67 - HA GLU 18 lone 3 97 - 3 - 4.0/3691=1 HD3 ARG 55 - HA GLU 18 lone 3 100 - 3 - HB2 MET 11 - HA GLU 18 lone 2 65 - 3 - HB3 GLN 63 - HA GLU 18 lone 1 65 - 1 - Peak 3696 from cnoeabs.peaks (4.19, 1.97, 30.19 ppm; 3.14 A): 4 out of 9 assignments used, quality = 0.85: * HA GLU 18 + HB3 ARG 21 OK 54 100 - 55 - 3692/4.0=12, 3693=11...(12) HA GLU 18 + HB2 ARG 21 OK 54 100 - 55 - 3692/4.0=12, 3693=11...(12) HA ALA 31 + HB3 ARG 21 OK 17 89 - 19 - 4138/3.0=4, 3721/1.8=3...(8) HA ALA 31 + HB2 ARG 21 OK 16 88 - 17 - 4138/3.0=4, 4140/3.5=3...(8) HA GLU 20 - HB3 ARG 21 poor 9 65 - 14 - 3.6/1364=8, 961/4.5=4 HA GLU 20 - HB2 ARG 21 poor 9 64 - 14 - 3.6/547=8, 961/4.5=4, 4139/3.5=2 HA GLU 18 - HB3 GLU 67 lone 2 68 - 3 - 3691/4.0=2 HA ALA 31 - HB3 GLU 67 lone 2 54 - 4 - HA GLU 20 - HB3 GLU 67 lone 0 37 - 1 - Peak 3697 from cnoeabs.peaks (8.03, 4.19, 58.41 ppm; 4.28 A): 4 out of 6 assignments used, quality = 0.83: * H LYS 22 + HA GLU 18 OK 62 100 - 62 - 961=25, 4.6/3692=19...(13) H ILE 17 + HA GLU 18 OK 42 83 - 52 - 4.0/4076=24, 869/3.0=17...(7) H LEU 41 + HA GLU 18 OK 15 65 - 22 - 4.8/4088=8, 4.8/4088=7 H GLN 53 + HA GLU 18 OK 11 100 - 11 - ~3829=2, 873/3692=2...(5) H ASN 40 - HA GLU 18 lone 9 96 - 9 - 4421/4088=1, 4421/4088=1 H GLN 47 - HA GLU 18 lone 5 78 - 6 - Peak 3699 from cnoeabs.peaks (8.03, 3.64, 58.54 ppm; 3.96 A): 3 out of 6 assignments used, quality = 0.78: * H LYS 22 + HA LEU 19 OK 60 100 - 60 - 960=18, 959/3.6=13...(10) H ILE 17 + HA LEU 19 OK 35 83 - 42 - ~943=13, 952/3.6=9...(9) H GLN 53 + HA LEU 19 OK 17 100 - 17 - 4.6/1038=4, 952/3.6=4...(5) H ASN 40 - HA LEU 19 lone 10 96 - 10 - 1004/3.6=2, 4.6/1009=1 H LEU 41 - HA LEU 19 poor 9 65 - 14 - 4.8/4455=2, 670/3.0=2...(7) H GLN 47 - HA LEU 19 lone 8 78 - 10 - 1013=2, 218/3.7=1, 952/3.6=1 Peak 3700 from cnoeabs.peaks (2.06, 3.64, 58.54 ppm; 4.63 A): 6 out of 9 assignments used, quality = 0.94: * HB2 LYS 22 + HA LEU 19 OK 65 100 - 66 - 1.8/3702=18, 3701=18...(12) HB VAL 16 + HA LEU 19 OK 62 87 - 72 - ~3681=15, ~4767=14...(14) HB3 GLU 20 + HA LEU 19 OK 35 90 - 39 - 542/3.6=23, 4.1/953=13...(5) HB3 GLU 45 + HA LEU 19 OK 14 97 - 14 - 3.0/2298=4, 3.0/2304=3...(4) HB2 GLU 45 + HA LEU 19 OK 14 96 - 14 - 3.0/2298=4, 3.0/2304=3...(4) HG3 GLU 45 + HA LEU 19 OK 11 92 - 12 - 1.8/2298=4, 2304=3, ~44=2 HB2 GLN 63 - HA LEU 19 lone 7 81 - 9 - 4.6/4102=2, 3.0/3702=2 HB3 ARG 56 - HA LEU 19 lone 4 83 - 5 - 4644/4103=1 HB2 GLU 67 - HA LEU 19 lone 1 57 - 2 - Peak 3701 from cnoeabs.peaks (3.64, 2.06, 30.62 ppm; 4.84 A): 4 out of 4 assignments used, quality = 0.91: * HA LEU 19 + HB2 LYS 22 OK 67 100 - 67 - 3702/1.8=19, 4104/4.3=17...(12) HA VAL 48 + HB2 LYS 22 OK 58 97 - 61 - 3703/1.8=14, 3.2/4150=9...(17) HA GLU 45 + HB2 LYS 22 OK 21 100 - 21 - 960/4.0=6, 3703/1.8=6...(5) HA ALA 38 + HB2 LYS 22 OK 17 65 - 26 - ~4410=5, 2.1/4408=5...(8) Peak 3702 from cnoeabs.peaks (2.38, 3.64, 58.54 ppm; 4.39 A): 3 out of 9 assignments used, quality = 0.73: * HB3 LYS 22 + HA LEU 19 OK 57 100 - 58 - 3703=15, 4.3/4104=14...(10) HG3 GLU 18 + HA LEU 19 OK 27 65 - 42 - ~3378=9, 44/2.9=7, ~42=6...(9) HG2 GLU 45 + HA LEU 19 OK 13 87 - 15 - 2298=4, 1.8/2304=3...(5) HG3 GLN 53 - HA LEU 19 lone 7 96 - 7 - 5.1/3699=3 HG3 GLN 63 - HA LEU 19 lone 6 83 - 7 - 3.5/4102=2, 3.0/3700=1 HG2 GLN 63 - HA LEU 19 lone 6 78 - 7 - 3.5/4102=2, 3.0/3700=1 HG2 MET 11 - HA LEU 19 lone 5 99 - 5 - HG3 GLN 47 - HA LEU 19 lone 5 76 - 7 - 5.1/1013=2, 4556/3.7=1, 44/2.9=1 HD2 ARG 55 - HA LEU 19 lone 4 65 - 6 - ~538=2, 44/2.9=2 Peak 3703 from cnoeabs.peaks (3.64, 2.38, 30.62 ppm; 4.85 A): 4 out of 4 assignments used, quality = 0.91: * HA LEU 19 + HB3 LYS 22 OK 66 100 - 67 - 3702=22, 4104/4.3=17...(11) HA VAL 48 + HB3 LYS 22 OK 59 97 - 61 - 3701/1.8=14, 3.2/4151=9...(17) HA GLU 45 + HB3 LYS 22 OK 23 100 - 23 - 960/4.0=6, 3701/1.8=5...(7) HA ALA 38 + HB3 LYS 22 OK 17 65 - 25 - 2.1/4410=7, 3701/1.8=4...(7) Peak 3705 from cnoeabs.peaks (8.03, 4.22, 59.07 ppm; 5.18 A): 3 out of 6 assignments used, quality = 0.95: * H LYS 22 + HA GLU 20 OK 78 100 - 78 - 58/3.6=28, 4.6/3706=26...(10) H ILE 17 + HA GLU 20 OK 69 83 - 83 - ~950=24, ~3687=22...(10) H GLN 53 + HA GLU 20 OK 35 100 - 34 - 952/3.0=7, 903/3.6=6...(9) H ASN 40 - HA GLU 20 OK 13 96 - 13 - 1004/3.0=4, 873/3.6=3 H GLN 47 - HA GLU 20 OK 10 78 - 13 - 873/3.6=2, 4541/3.0=2...(5) H LEU 41 - HA GLU 20 poor 7 65 - 11 - 4434/3.6=4, 952/3.0=2 Peak 3706 from cnoeabs.peaks (8.99, 4.22, 59.07 ppm; 4.48 A): 2 out of 2 assignments used, quality = 0.79: * H PHE 23 + HA GLU 20 OK 76 100 - 77 - 4.0/3707=28, 4.0/3709=27...(7) H SER 30 + HA GLU 20 OK 10 90 - 11 - 1500/3707=2, 1506/3709=2...(4) Peak 3707 from cnoeabs.peaks (3.15, 4.22, 59.07 ppm; 3.70 A): 1 out of 4 assignments used, quality = 0.71: * HB2 PHE 23 + HA GLU 20 OK 71 100 - 72 - 1.8/3709=30, 3708=24...(7) HB3 TYR 57 - HA GLU 20 lone 4 96 - 4 - 1.8/3709=2 HD3 ARG 61 - HA GLU 20 lone 2 95 - 2 - HD2 ARG 61 - HA GLU 20 lone 2 95 - 2 - Peak 3708 from cnoeabs.peaks (4.22, 3.15, 39.32 ppm; 4.01 A): 4 out of 5 assignments used, quality = 0.90: * HA GLU 20 + HB2 PHE 23 OK 83 100 - 83 - 3707=45, 3709/1.8=35...(7) HB3 SER 30 + HB2 PHE 23 OK 20 100 - 20 - 3710/1.8=6, 4627/2.4=5...(5) HA ALA 31 + HB2 PHE 23 OK 12 97 - 13 - 3710/1.8=4, 4627/2.4=3...(4) HA GLU 18 + HB2 PHE 23 OK 13 65 - 19 - 3.0/4746=4, 3710/1.8=3...(9) HA ARG 61 - HB2 PHE 23 lone 5 78 - 6 - 3710/1.8=1, 4627/2.4=1 Peak 3709 from cnoeabs.peaks (3.08, 4.22, 59.07 ppm; 3.99 A): 1 out of 3 assignments used, quality = 0.78: * HB3 PHE 23 + HA GLU 20 OK 78 100 - 78 - 1.8/3707=37, 3710=27...(7) HB2 TYR 57 - HA GLU 20 lone 5 92 - 5 - 1.8/3707=2 HB3 HIS 10 - HA GLU 20 lone 2 65 - 3 - 4686/4131=1 Peak 3710 from cnoeabs.peaks (4.22, 3.08, 39.32 ppm; 4.15 A): 4 out of 5 assignments used, quality = 0.91: * HA GLU 20 + HB3 PHE 23 OK 85 100 - 85 - 3709=46, 3707/1.8=39...(7) HB3 SER 30 + HB3 PHE 23 OK 21 100 - 21 - 3708/1.8=6, 4627/2.4=5...(5) HA ALA 31 + HB3 PHE 23 OK 13 97 - 14 - 3708/1.8=4, 4627/2.4=3...(4) HA GLU 18 + HB3 PHE 23 OK 13 65 - 20 - 3708/1.8=4, 3.0/4747=4...(9) HA ARG 61 - HB3 PHE 23 lone 5 78 - 6 - 3708/1.8=2, 4627/2.4=1 Peak 3713 from cnoeabs.peaks (8.13, 4.07, 59.55 ppm; 4.31 A): 4 out of 10 assignments used, quality = 0.52: * H SER 24 + HA ARG 21 OK 20 100 - 21 - 962/3.6=12, 4.0/3716=2...(6) H ALA 35 + HA ARG 21 OK 17 73 - 23 - 962/3.6=4, 3.0/3716=4...(10) H THR 46 + HA ARG 21 OK 16 92 - 18 - 962/3.6=9, 700=4...(5) H SER 24 + HA ARG 56 OK 13 93 - 14 - 4.4/4628=8, 4.0/3716=2 H LEU 68 - HA ARG 21 lone 7 92 - 7 - 962/3.6=3 H LYS 27 - HA ARG 56 lone 7 91 - 7 - ~4200=3, 4632/4628=1 H THR 46 - HA ARG 56 lone 5 82 - 5 - 4.6/217=1 H ALA 35 - HA ARG 56 lone 4 64 - 6 - 3.0/3716=2 H LYS 27 - HA ARG 21 lone 4 99 - 4 - 962/3.6=2 H LEU 68 - HA ARG 56 lone 1 82 - 2 - Peak 3714 from cnoeabs.peaks (3.97, 4.07, 59.55 ppm; 3.42 A): 0 out of 14 assignments used, low quality = 0.18: HA LYS 42 - HA ARG 21 OK 18 97 - 19 - 3.0/4466=4, 3498/2.9=4...(7) HA ALA 35 - HA ARG 21 lone 8 96 - 8 - 3.0/3713=4, 3.6/985=1 HA GLN 47 - HA ARG 56 lone 8 87 - 9 - 4877/5.1=2, 3.6/3843=2...(4) HA LYS 42 - HA ARG 56 lone 7 87 - 8 - 4877/5.1=2, 3.0/4466=2...(4) HB3 SER 24 - HA ARG 21 lone 7 100 - 7 - 4.0/3713=3, 3717=2, 1.8/3715=1 ! HB2 SER 24 - HA ARG 21 lone 7 100 - 7 - 4.0/3713=3, 3715=2, 1.8/3717=1 HB3 SER 24 - HA ARG 56 lone 6 93 - 7 - 4.0/3713=2, 1533=1...(4) HB2 SER 24 - HA ARG 56 lone 6 93 - 7 - 4.0/3713=2, 1529=1...(4) HA GLN 47 - HA ARG 21 lone 6 97 - 6 - 3.0/217=2, 3.6/3843=1 HA ALA 35 - HA ARG 56 lone 4 86 - 4 - 4877/5.1=1 HB3 SER 12 - HA ARG 56 lone 2 70 - 2 - HB2 SER 66 - HA ARG 56 lone 1 56 - 2 - HB3 SER 12 - HA ARG 21 lone 1 81 - 1 - HB2 SER 66 - HA ARG 21 lone 0 65 - 1 - Peak 3715 from cnoeabs.peaks (4.07, 3.97, 63.03 ppm; 2.80 A): 2 out of 16 assignments used, quality = 0.98: HA SER 24 + HB2 SER 24 OK 86 99 - 87 - 3.0=79, 1527/1.8=15...(9) HA SER 24 + HB3 SER 24 OK 86 99 - 87 - 3.0=79, 1526/1.8=15...(9) ! HA ARG 21 - HB2 SER 24 lone 6 100 - 6 - 3714=2, 3713/4.0=2, 3716/1.8=2 HA ARG 21 - HB3 SER 24 lone 6 100 - 7 - 3714=2, 3713/4.0=2, 3714/1.8=2 HA ARG 56 - HB2 SER 24 lone 6 98 - 6 - 3714=2, 3716/1.8=2, 3713/4.0=1 HA ARG 56 - HB3 SER 24 lone 6 98 - 6 - 3716=2, 3714/1.8=2, 3713/4.0=1 HA LYS 39 - HB3 SER 24 lone 2 96 - 2 - HA LYS 39 - HB2 SER 24 lone 2 97 - 2 - HA LEU 37 - HB3 SER 24 lone 2 96 - 1 - HA LEU 37 - HB2 SER 24 lone 2 97 - 1 - HB THR 46 - HB2 SER 24 lone 1 97 - 1 - HB THR 46 - HB3 SER 24 lone 1 96 - 1 - HA GLU 33 - HB3 SER 24 lone 1 100 - 1 - HA GLU 33 - HB2 SER 24 lone 1 100 - 1 - HB THR 14 - HB2 SER 24 lone 0 68 - 0 - HB THR 14 - HB3 SER 24 lone 0 68 - 0 - Peak 3716 from cnoeabs.peaks (3.97, 4.07, 59.55 ppm; 3.42 A): 0 out of 14 assignments used, low quality = 0.19: HA LYS 42 - HA ARG 21 OK 19 98 - 19 - 3498/2.9=4, 3.0/4466=4...(7) HA ALA 35 - HA ARG 21 lone 8 97 - 8 - 3.0/3713=4, 3.6/985=1 HA LYS 42 - HA ARG 56 lone 8 89 - 8 - 4877/5.1=2, 3.0/4466=2...(4) HA GLN 47 - HA ARG 56 lone 7 85 - 8 - 4877/5.1=2, 3.6/3843=2...(4) ! HB3 SER 24 - HA ARG 21 lone 7 100 - 7 - 4.0/3713=3, 3717=2, 1.8/3715=1 HB2 SER 24 - HA ARG 21 lone 7 100 - 7 - 4.0/3713=3, 3715=2, 1.8/3717=1 HB3 SER 24 - HA ARG 56 lone 6 93 - 7 - 4.0/3713=2, 1533=1...(4) HB2 SER 24 - HA ARG 56 lone 6 93 - 7 - 4.0/3713=2, 1533=1...(4) HA GLN 47 - HA ARG 21 lone 6 95 - 6 - 3.0/217=2, 3.6/3843=1 HA ALA 35 - HA ARG 56 lone 4 88 - 4 - 4877/5.1=1 HB3 SER 12 - HA ARG 56 lone 1 66 - 2 - HB2 SER 66 - HA ARG 56 lone 1 51 - 1 - HB3 SER 12 - HA ARG 21 lone 1 76 - 1 - HB2 SER 66 - HA ARG 21 lone 0 60 - 1 - Peak 3717 from cnoeabs.peaks (4.07, 3.97, 63.03 ppm; 2.80 A): 2 out of 16 assignments used, quality = 0.98: HA SER 24 + HB3 SER 24 OK 86 99 - 87 - 3.0=79, 1526/1.8=15...(9) HA SER 24 + HB2 SER 24 OK 86 99 - 87 - 3.0=79, 1527/1.8=15...(9) ! HA ARG 21 - HB3 SER 24 lone 6 100 - 7 - 3716=2, 3713/4.0=2, 3714/1.8=2 HA ARG 21 - HB2 SER 24 lone 6 100 - 6 - 3714=2, 3713/4.0=2, 3716/1.8=2 HA ARG 56 - HB3 SER 24 lone 6 98 - 6 - 3716=2, 3714/1.8=2, 3713/4.0=1 HA ARG 56 - HB2 SER 24 lone 6 98 - 6 - 3716=2, 3716/1.8=2, 3713/4.0=1 HA LYS 39 - HB3 SER 24 lone 2 97 - 2 - HA LYS 39 - HB2 SER 24 lone 2 96 - 2 - HA LEU 37 - HB3 SER 24 lone 2 97 - 2 - HA LEU 37 - HB2 SER 24 lone 2 96 - 2 - HB THR 46 - HB3 SER 24 lone 1 97 - 1 - HB THR 46 - HB2 SER 24 lone 1 96 - 1 - HA GLU 33 - HB3 SER 24 lone 1 100 - 1 - HA GLU 33 - HB2 SER 24 lone 1 100 - 1 - HB THR 14 - HB3 SER 24 lone 0 68 - 0 - HB THR 14 - HB2 SER 24 lone 0 68 - 0 - Peak 3719 from cnoeabs.peaks (7.21, 4.21, 57.19 ppm; 6.00 A): 1 out of 1 assignment used, quality = 0.91: * H GLU 33 + HA ALA 31 OK 91 100 - 91 - 3447/3.8=44, 3448/3.8=42...(10) Peak 3720 from cnoeabs.peaks (8.73, 4.21, 57.19 ppm; 4.53 A): 1 out of 1 assignment used, quality = 0.84: * H ARG 34 + HA ALA 31 OK 84 100 - 84 - 4283/2.1=27, 976=24...(13) Peak 3721 from cnoeabs.peaks (1.94, 4.21, 57.19 ppm; 4.08 A): 2 out of 7 assignments used, quality = 0.72: * HB2 ARG 34 + HA ALA 31 OK 66 100 - 66 - 3722=25, 3.9/3720=22...(8) HB2 ARG 21 + HA ALA 31 OK 18 63 - 28 - 3.0/3723=6, 3.5/4139=4...(9) HB3 GLU 67 - HA ALA 31 lone 5 81 - 6 - 4.7/3725=2, ~4276=2 HD3 LYS 22 - HA ALA 31 lone 3 78 - 4 - 6.1/958=1 HB ILE 50 - HA ALA 31 lone 2 100 - 2 - HB3 LYS 39 - HA ALA 31 lone 2 93 - 2 - HB2 LYS 39 - HA ALA 31 lone 2 90 - 2 - Peak 3722 from cnoeabs.peaks (4.21, 1.94, 29.95 ppm; 3.62 A): 4 out of 4 assignments used, quality = 0.78: * HA ALA 31 + HB2 ARG 34 OK 58 100 - 58 - 3721=23, 3720/3.9=17...(8) HB3 SER 30 + HB2 ARG 34 OK 32 95 - 34 - 4.0/4829=9, 3724/1.8=7...(7) HA GLU 20 + HB2 ARG 34 OK 13 97 - 13 - 3724/1.8=3, 3706/4829=2...(5) HA GLU 18 + HB2 ARG 34 OK 11 89 - 12 - 3724/1.8=4, 976/3.9=2...(5) Peak 3723 from cnoeabs.peaks (1.86, 4.21, 57.19 ppm; 4.33 A): 3 out of 8 assignments used, quality = 0.88: * HB3 ARG 34 + HA ALA 31 OK 73 100 - 73 - 1.8/3721=28, 3.9/3720=25...(9) HB2 GLU 33 + HA ALA 31 OK 32 73 - 44 - 4.6/3720=21, 4.0/3719=16...(6) HG2 ARG 21 + HA ALA 31 OK 32 100 - 31 - 4138=8, 3.0/3721=6...(7) HB ILE 17 - HA ALA 31 lone 6 81 - 7 - 2.1/4076=3, 3668/3.8=2 HB3 LYS 49 - HA ALA 31 lone 6 78 - 7 - 3781/3.8=3, ~4276=1 HG LEU 41 - HA ALA 31 lone 4 99 - 4 - ~4894=1 HB2 LYS 60 - HA ALA 31 lone 2 73 - 2 - HB3 MET 11 - HA ALA 31 lone 1 73 - 1 - Peak 3724 from cnoeabs.peaks (4.21, 1.86, 29.95 ppm; 4.29 A): 4 out of 4 assignments used, quality = 0.88: * HA ALA 31 + HB3 ARG 34 OK 72 100 - 72 - 3721/1.8=28, 3720/3.9=24...(9) HB3 SER 30 + HB3 ARG 34 OK 36 95 - 39 - 3722/1.8=13, 4266/3.0=9...(6) HA GLU 18 + HB3 ARG 34 OK 19 89 - 21 - 3722/1.8=5, 4085=4...(8) HA GLU 20 + HB3 ARG 34 OK 18 97 - 18 - 3722/1.8=5, 976/3.9=3...(6) Peak 3725 from cnoeabs.peaks (8.15, 4.21, 57.19 ppm; 4.70 A): 4 out of 5 assignments used, quality = 0.87: * H ALA 35 + HA ALA 31 OK 79 100 - 79 - 981=27, 4.6/3720=25...(8) H THR 46 + HA ALA 31 OK 19 98 - 19 - 4284/2.1=5, 3727/4.8=3...(9) H SER 24 + HA ALA 31 OK 14 73 - 18 - 4.6/965=3, 970=3...(5) H LEU 68 + HA ALA 31 OK 11 98 - 11 - 4284/2.1=3, 3727/4.8=2 H ARG 61 - HA ALA 31 lone 5 81 - 6 - 4284/2.1=2, 3727/4.8=1 Peak 3726 from cnoeabs.peaks (8.73, 4.38, 65.82 ppm; 5.24 A): 1 out of 2 assignments used, quality = 0.86: * H ARG 34 + HA PRO 32 OK 86 100 - 86 - 133/3.5=45, 3720/4.8=29...(9) H ARG 34 - HB2 SER 12 lone 7 73 - 10 - 4.6/980=3, 4346/3729=2 Peak 3727 from cnoeabs.peaks (8.15, 4.38, 65.82 ppm; 4.19 A): 4 out of 10 assignments used, quality = 0.87: * H ALA 35 + HA PRO 32 OK 81 100 - 82 - 980=34, 2.9/3729=27...(12) H THR 46 + HA PRO 32 OK 14 98 - 14 - 974/3.5=3, 3725/4.8=3...(6) H LEU 68 + HA PRO 32 OK 11 98 - 11 - 974/3.5=2, 4284/4.5=2...(5) H ALA 35 + HB2 SER 12 OK 10 73 - 13 - 2.9/3729=5, 980=5...(4) H ARG 61 - HA PRO 32 lone 5 81 - 7 - H SER 24 - HA PRO 32 lone 4 73 - 5 - 3725/4.8=2, 974/3.5=2 H LEU 68 - HB2 SER 12 lone 3 68 - 4 - 4.6/4741=1 H THR 46 - HB2 SER 12 lone 1 68 - 2 - H ARG 61 - HB2 SER 12 lone 1 51 - 2 - H SER 24 - HB2 SER 12 lone 1 46 - 2 - Peak 3728 from cnoeabs.peaks (1.49, 4.38, 65.82 ppm; 3.24 A): 2 out of 6 assignments used, quality = 0.56: * QB ALA 35 + HA PRO 32 OK 50 100 - 51 - 3729=34, 2.9/980=14...(6) HB3 LEU 29 + HA PRO 32 OK 12 71 - 17 - ~4296=3, ~4310=3...(7) QB ALA 35 - HB2 SER 12 lone 8 73 - 10 - 3729=6, 2.9/980=2 HG LEU 43 - HA PRO 32 lone 4 92 - 4 - 3.0/4294=2 HB3 LEU 29 - HB2 SER 12 lone 1 44 - 1 - HG LEU 43 - HB2 SER 12 lone 1 61 - 1 - Peak 3729 from cnoeabs.peaks (4.38, 1.49, 17.89 ppm; 3.19 A): 1 out of 7 assignments used, quality = 0.48: * HA PRO 32 + QB ALA 35 OK 48 100 - 49 - 3728=32, 980/2.9=14...(6) HB2 SER 12 - QB ALA 35 lone 9 99 - 8 - 3728=5, 980/2.9=2 HA ASN 40 - QB ALA 35 lone 7 98 - 7 - 980/2.9=2, 986/3.7=2, 3.0/3467=1 HA HIS 13 - QB ALA 35 lone 3 99 - 3 - 980/2.9=1 HA LEU 68 - QB ALA 35 lone 2 87 - 2 - HA LEU 64 - QB ALA 35 lone 1 99 - 1 - HA ASN 54 - QB ALA 35 lone 1 68 - 1 - Peak 3731 from cnoeabs.peaks (8.15, 4.07, 58.90 ppm; 4.73 A): 4 out of 10 assignments used, quality = 0.93: * H ALA 35 + HA GLU 33 OK 82 100 - 82 - 139/3.6=41, 979/3.0=34...(15) H ALA 35 + HA LYS 39 OK 45 88 - 52 - ~3749=11, ~1001=9, 978=8...(12) H THR 46 + HA GLU 33 OK 18 98 - 18 - 884/3.6=5, 974/3.0=4...(5) H THR 46 + HA LYS 39 OK 11 83 - 14 - 1012/3.0=5, 4.6/3737=3, 700=2 H LEU 68 - HA GLU 33 lone 8 98 - 8 - 974/3.0=3, 884/3.6=2 H SER 24 - HA GLU 33 lone 5 73 - 7 - 974/3.0=2, 884/3.6=2 H ARG 61 - HA GLU 33 lone 4 81 - 5 - 884/3.6=1, 974/3.0=1 H ARG 61 - HA LYS 39 lone 3 64 - 4 - H LEU 68 - HA LYS 39 lone 3 83 - 3 - H SER 24 - HA LYS 39 lone 2 58 - 3 - Peak 3732 from cnoeabs.peaks (7.99, 4.07, 58.90 ppm; 3.72 A): 1 out of 1 assignment used, quality = 0.49: H ASN 40 + HA LYS 39 OK 49 49 - 100 - 3.6=100 Reference assignment not found: H HIS 36 - HA GLU 33 Peak 3733 from cnoeabs.peaks (3.19, 4.07, 58.90 ppm; 3.34 A): 4 out of 12 assignments used, quality = 0.75: HB2 HIS 36 + HA LYS 39 OK 37 88 - 42 - 3734=6, ~3751=6...(14) HB3 HIS 36 + HA LYS 39 OK 37 88 - 42 - 3734=6, ~3751=6...(14) * HB2 HIS 36 + HA GLU 33 OK 20 100 - 21 - 4707/3.0=4, 3734=3...(8) HB3 HIS 36 + HA GLU 33 OK 20 100 - 21 - 4707/3.0=4, 3734=3...(8) HD2 ARG 21 - HA GLU 33 lone 3 95 - 3 - 2.9/1373=1 HD2 ARG 21 - HA LYS 39 lone 2 79 - 3 - 2.9/1373=1 HB2 HIS 10 - HA GLU 33 lone 1 93 - 1 - HB2 HIS 10 - HA LYS 39 lone 1 77 - 1 - HB2 HIS 13 - HA GLU 33 lone 1 71 - 1 - HB3 TYR 57 - HA GLU 33 lone 1 81 - 1 - HB2 HIS 13 - HA LYS 39 lone 0 56 - 1 - HB3 TYR 57 - HA LYS 39 lone 0 64 - 1 - Peak 3734 from cnoeabs.peaks (4.07, 3.19, 30.63 ppm; 3.75 A): 4 out of 24 assignments used, quality = 0.95: HA LYS 39 + HB2 HIS 36 OK 57 97 - 58 - 3733=15, 3733/1.8=12...(14) HA LYS 39 + HB3 HIS 36 OK 57 97 - 58 - 3733=15, 3733/1.8=12...(14) HA LEU 37 + HB2 HIS 36 OK 51 96 - 53 - 3.0/152=16, ~152=9...(10) HA LEU 37 + HB3 HIS 36 OK 51 96 - 53 - 3.0/152=16, ~152=9...(10) ! HA GLU 33 - HB2 HIS 36 OK 31 100 - 31 - 3733=8, 3733/1.8=7...(8) HA GLU 33 - HB3 HIS 36 OK 31 100 - 31 - 3733=8, 3733/1.8=7...(8) HA ARG 21 - HB3 HIS 36 OK 11 100 - 11 - 1354=2, 1354/1.8=2...(6) HA ARG 21 - HB2 HIS 36 OK 11 100 - 11 - 1354=2, 1354/1.8=2...(6) HA ARG 56 - HB3 HIS 36 lone 6 99 - 6 - 1354=1, 4626/4.0=1, 1354/1.8=1 HA ARG 56 - HB2 HIS 36 lone 6 99 - 6 - 1354=1, 4626/4.0=1, 1354/1.8=1 HB THR 46 - HB2 HIS 36 lone 4 96 - 4 - 3522/4.6=1 HB THR 46 - HB3 HIS 36 lone 4 96 - 4 - 3522/4.6=1 HA SER 24 - HB3 HIS 36 lone 3 99 - 3 - 4626/4.0=1 HA SER 24 - HB2 HIS 36 lone 3 99 - 3 - 4626/4.0=1 HA GLU 33 - HB2 HIS 10 lone 2 81 - 2 - HA LEU 37 - HB2 HIS 10 lone 2 73 - 2 - HA ARG 21 - HB2 HIS 10 lone 1 81 - 2 - HB THR 14 - HB2 HIS 36 lone 1 65 - 2 - HB THR 14 - HB3 HIS 36 lone 1 65 - 2 - HA LYS 39 - HB2 HIS 10 lone 1 75 - 2 - HA SER 24 - HB2 HIS 10 lone 1 79 - 1 - HA ARG 56 - HB2 HIS 10 lone 1 77 - 1 - HB THR 46 - HB2 HIS 10 lone 1 73 - 1 - HB THR 14 - HB2 HIS 10 lone 0 46 - 1 - Peak 3735 from cnoeabs.peaks (3.19, 4.07, 58.90 ppm; 3.34 A): 4 out of 12 assignments used, quality = 0.75: HB2 HIS 36 + HA LYS 39 OK 37 88 - 42 - 3734=6, ~3751=6...(14) HB3 HIS 36 + HA LYS 39 OK 37 88 - 42 - 3734=6, ~3751=6...(14) HB2 HIS 36 + HA GLU 33 OK 20 100 - 21 - 4707/3.0=4, 3734=3...(8) * HB3 HIS 36 + HA GLU 33 OK 20 100 - 21 - 4707/3.0=4, 3734=3...(8) HD2 ARG 21 - HA GLU 33 lone 3 96 - 3 - 2.9/1373=1 HD2 ARG 21 - HA LYS 39 lone 2 80 - 3 - 2.9/1373=1 HB2 HIS 10 - HA GLU 33 lone 1 95 - 1 - HB2 HIS 10 - HA LYS 39 lone 1 79 - 1 - HB2 HIS 13 - HA GLU 33 lone 1 73 - 1 - HB3 TYR 57 - HA GLU 33 lone 1 78 - 1 - HB2 HIS 13 - HA LYS 39 lone 1 58 - 1 - HB3 TYR 57 - HA LYS 39 lone 0 62 - 1 - Peak 3736 from cnoeabs.peaks (4.07, 3.19, 30.63 ppm; 3.75 A): 4 out of 24 assignments used, quality = 0.95: HA LYS 39 + HB2 HIS 36 OK 57 97 - 58 - 3733=15, 3733/1.8=12...(14) HA LYS 39 + HB3 HIS 36 OK 57 97 - 58 - 3733=15, 3733/1.8=12...(14) HA LEU 37 + HB2 HIS 36 OK 51 96 - 53 - 3.0/152=16, ~152=9...(10) HA LEU 37 + HB3 HIS 36 OK 51 96 - 53 - 3.0/152=16, ~152=9...(10) HA GLU 33 - HB2 HIS 36 OK 31 100 - 31 - 3733=8, 3733/1.8=7...(8) ! HA GLU 33 - HB3 HIS 36 OK 31 100 - 31 - 3733=8, 3733/1.8=7...(8) HA ARG 21 - HB3 HIS 36 OK 11 100 - 11 - 1354=2, 1354/1.8=2...(6) HA ARG 21 - HB2 HIS 36 OK 11 100 - 11 - 1354=2, 1354/1.8=2...(6) HA ARG 56 - HB3 HIS 36 lone 6 99 - 6 - 1354=1, 4626/4.0=1, 1354/1.8=1 HA ARG 56 - HB2 HIS 36 lone 6 99 - 6 - 1354=1, 4626/4.0=1, 1354/1.8=1 HB THR 46 - HB2 HIS 36 lone 4 96 - 4 - 3522/4.6=1 HB THR 46 - HB3 HIS 36 lone 4 96 - 4 - 3522/4.6=1 HA SER 24 - HB3 HIS 36 lone 3 99 - 3 - 4626/4.0=1 HA SER 24 - HB2 HIS 36 lone 3 99 - 3 - 4626/4.0=1 HA GLU 33 - HB2 HIS 10 lone 2 84 - 2 - HA LEU 37 - HB2 HIS 10 lone 2 76 - 2 - HA ARG 21 - HB2 HIS 10 lone 2 84 - 2 - HA LYS 39 - HB2 HIS 10 lone 1 78 - 2 - HB THR 14 - HB2 HIS 36 lone 1 65 - 2 - HB THR 14 - HB3 HIS 36 lone 1 65 - 2 - HA SER 24 - HB2 HIS 10 lone 1 82 - 1 - HA ARG 56 - HB2 HIS 10 lone 1 80 - 1 - HB THR 46 - HB2 HIS 10 lone 1 76 - 1 - HB THR 14 - HB2 HIS 10 lone 1 48 - 1 - Peak 3737 from cnoeabs.peaks (8.07, 4.07, 58.90 ppm; 3.78 A): 5 out of 8 assignments used, quality = 0.82: H LEU 41 + HA LYS 39 OK 46 82 - 57 - 175/3.6=22, 999/3.0=11...(14) H LEU 37 + HA LYS 39 OK 44 88 - 50 - 999/3.0=13, 890/3.6=11...(12) H GLN 47 + HA LYS 39 OK 17 76 - 22 - 1002/3.0=7, 217=5...(6) * H LEU 37 + HA GLU 33 OK 17 100 - 17 - 4.6/3733=3, 4.6/3733=3...(4) H LEU 41 + HA GLU 33 OK 14 97 - 14 - 4.6/4893=3, 1007=2...(5) H GLN 47 - HA GLU 33 lone 5 92 - 5 - 4.6/3731=1, 217=1 H ARG 55 - HA LYS 39 lone 4 84 - 5 - 999/3.0=2 H ARG 55 - HA GLU 33 lone 1 99 - 1 - Peak 3739 from cnoeabs.peaks (8.07, 3.79, 59.87 ppm; 4.42 A): 3 out of 4 assignments used, quality = 0.88: * H LEU 37 + HA ARG 34 OK 81 100 - 82 - 990=26, 989/3.6=22...(13) H LEU 41 + HA ARG 34 OK 24 97 - 24 - 4.8/4454=4, 4.8/4446=4...(8) H GLN 47 + HA ARG 34 OK 15 92 - 16 - 215/3.6=4, 155/3744=2...(6) H ARG 55 - HA ARG 34 lone 7 99 - 7 - 4.6/1048=1 Peak 3740 from cnoeabs.peaks (1.66, 3.79, 59.87 ppm; 3.61 A): 2 out of 11 assignments used, quality = 0.69: * HB2 LEU 37 + HA ARG 34 OK 64 100 - 65 - 1.8/3742=21, 3741=14...(13) HG3 LYS 22 + HA ARG 34 OK 14 93 - 15 - 4810/4326=7, 1.8/3742=3 HD3 LYS 42 - HA ARG 34 lone 5 100 - 5 - 1.8/3742=2 HB2 LEU 64 - HA ARG 34 lone 3 100 - 3 - HG13 ILE 50 - HA ARG 34 lone 3 63 - 4 - HD3 LYS 62 - HA ARG 34 lone 2 100 - 2 - HD2 LYS 62 - HA ARG 34 lone 2 99 - 2 - HD3 LYS 60 - HA ARG 34 lone 2 99 - 2 - HD2 LYS 60 - HA ARG 34 lone 2 99 - 2 - HG LEU 64 - HA ARG 34 lone 1 71 - 2 - HB2 LEU 68 - HA ARG 34 lone 1 63 - 1 - Peak 3741 from cnoeabs.peaks (3.79, 1.66, 42.65 ppm; 4.20 A): 4 out of 10 assignments used, quality = 0.93: * HA ARG 34 + HB2 LEU 37 OK 81 100 - 81 - 3740=33, 3742/1.8=28...(13) HD3 PRO 32 + HB2 LEU 37 OK 40 97 - 42 - 3743/1.8=9, 4290/3.0=7...(12) HA ILE 50 + HB2 LEU 37 OK 28 90 - 31 - 3743/1.8=6, 2474/3.1=6...(9) HA GLN 15 + HB2 LEU 37 OK 20 100 - 20 - 3743/1.8=5, 4869/3.1=4...(8) HA THR 14 - HB2 LEU 37 lone 7 76 - 9 - 4869/3.1=2, 3743/1.8=2 HA ARG 34 - HB2 LEU 64 lone 5 82 - 5 - 3740=2 HA GLN 15 - HB2 LEU 64 lone 2 81 - 3 - HA ILE 50 - HB2 LEU 64 lone 2 68 - 3 - HD3 PRO 32 - HB2 LEU 64 lone 2 76 - 3 - HA THR 14 - HB2 LEU 64 lone 1 55 - 2 - Peak 3742 from cnoeabs.peaks (1.73, 3.79, 59.87 ppm; 4.04 A): 2 out of 7 assignments used, quality = 0.79: * HB3 LEU 37 + HA ARG 34 OK 76 100 - 77 - 1.8/3740=28, 3743=21...(14) HG2 LYS 22 + HA ARG 34 OK 12 87 - 14 - 1.8/3740=6, 4153/4320=4 HD2 LYS 42 - HA ARG 34 lone 7 96 - 7 - 1.8/3740=2, 158/3744=1 HB2 ARG 56 - HA ARG 34 lone 4 97 - 4 - HD2 LYS 49 - HA ARG 34 lone 4 60 - 6 - 3.0/1860=1 HB3 LYS 58 - HA ARG 34 lone 4 100 - 4 - HB3 ARG 61 - HA ARG 34 lone 3 100 - 3 - Peak 3743 from cnoeabs.peaks (3.79, 1.73, 42.65 ppm; 4.18 A): 4 out of 5 assignments used, quality = 0.94: * HA ARG 34 + HB3 LEU 37 OK 82 100 - 82 - 3742=35, 3740/1.8=29...(14) HD3 PRO 32 + HB3 LEU 37 OK 40 97 - 42 - 3741/1.8=8, 4290/3.0=7...(12) HA ILE 50 + HB3 LEU 37 OK 27 90 - 29 - 2474/3.1=6, 3741/1.8=6...(9) HA GLN 15 + HB3 LEU 37 OK 22 100 - 22 - 3741/1.8=4, 4869/3.1=4...(8) HA THR 14 - HB3 LEU 37 lone 8 76 - 10 - 4869/3.1=2, 3741/1.8=1 Peak 3744 from cnoeabs.peaks (8.44, 3.79, 59.87 ppm; 4.83 A): 2 out of 2 assignments used, quality = 0.81: * H ALA 38 + HA ARG 34 OK 77 100 - 78 - 996=26, 4.4/3740=21...(13) H GLU 20 + HA ARG 34 OK 14 65 - 22 - 4.6/946=5, ~3722=2...(8) Peak 3745 from cnoeabs.peaks (8.07, 3.98, 55.19 ppm; 5.34 A): 3 out of 4 assignments used, quality = 0.90: * H LEU 37 + HA ALA 35 OK 79 100 - 79 - 989/3.0=31, 886/3.6=31...(9) H LEU 41 + HA ALA 35 OK 33 97 - 34 - 4441=11, 886/3.6=7...(8) H GLN 47 + HA ALA 35 OK 30 92 - 32 - 4.6/3749=6, 215/3.0=5...(12) H ARG 55 - HA ALA 35 lone 6 99 - 6 - 886/3.6=1 Peak 3746 from cnoeabs.peaks (8.44, 3.98, 55.19 ppm; 4.22 A): 1 out of 2 assignments used, quality = 0.73: * H ALA 38 + HA ALA 35 OK 73 100 - 73 - 995=24, 987/3.6=19...(9) H GLU 20 - HA ALA 35 poor 7 65 - 10 - 987/3.6=2, 3.6/4350=2, ~981=2 Peak 3747 from cnoeabs.peaks (1.34, 3.98, 55.19 ppm; 3.27 A): 4 out of 6 assignments used, quality = 0.87: * QB ALA 38 + HA ALA 35 OK 58 100 - 59 - 3748=21, 2.9/3746=17...(10) HG2 ARG 34 + HA ALA 35 OK 45 100 - 45 - 4364/2.1=9, 143/3.0=7...(11) HG3 LYS 42 + HA ALA 35 OK 25 97 - 26 - 2166=5, 1.8/2176=4...(11) HG2 LYS 42 + HA ALA 35 OK 25 97 - 26 - 2166=5, 1.8/2176=4...(11) HG2 LYS 58 - HA ALA 35 lone 3 92 - 4 - HD3 LYS 27 - HA ALA 35 lone 3 97 - 3 - Peak 3748 from cnoeabs.peaks (3.98, 1.34, 17.52 ppm; 3.34 A): 3 out of 6 assignments used, quality = 0.82: * HA ALA 35 + QB ALA 38 OK 59 100 - 59 - 3747=18, 3746/2.9=18...(10) HA LYS 42 + QB ALA 38 OK 46 100 - 47 - 3.6/4394=12, 2140=9...(8) HA GLN 47 + QB ALA 38 OK 18 76 - 24 - 3.6/3479=6, 3.0/4395=4...(8) HB3 SER 24 - QB ALA 38 lone 4 97 - 4 - HB2 SER 24 - QB ALA 38 lone 4 96 - 4 - HB2 SER 30 - QB ALA 38 lone 1 60 - 1 - Peak 3749 from cnoeabs.peaks (7.67, 3.98, 55.19 ppm; 4.86 A): 3 out of 5 assignments used, quality = 0.82: * H LYS 39 + HA ALA 35 OK 73 100 - 73 - 4.5/3746=26, 1001=23...(12) H VAL 48 + HA ALA 35 OK 23 98 - 24 - 4.6/3745=5, 3.0/4350=3...(9) HE22 GLN 47 + HA ALA 35 OK 15 99 - 16 - 3.4/4356=4, 6.9/3745=3...(5) H LYS 58 - HA ALA 35 lone 8 100 - 7 - 888/3746=2 HE22 GLN 26 - HA ALA 35 lone 2 60 - 3 - Peak 3750 from cnoeabs.peaks (8.44, 4.32, 59.41 ppm; 5.53 A): 1 out of 2 assignments used, quality = 0.89: * H ALA 38 + HA HIS 36 OK 89 100 - 90 - 887/3.6=42, 987/3.0=31...(13) H GLU 20 - HA HIS 36 poor 10 65 - 15 - 887/3.6=6, 987/3.0=4 Peak 3751 from cnoeabs.peaks (7.67, 4.32, 59.41 ppm; 4.30 A): 3 out of 5 assignments used, quality = 0.87: * H LYS 39 + HA HIS 36 OK 83 100 - 83 - 1000=30, 4.5/3750=15...(18) H LYS 58 + HA HIS 36 OK 17 100 - 16 - 992/3.6=4, 4.9/4788=2...(5) H VAL 48 + HA HIS 36 OK 12 98 - 13 - 992/3.6=6, 888/3750=2 HE22 GLN 47 - HA HIS 36 lone 7 99 - 7 - 992/3.6=3 HE22 GLN 26 - HA HIS 36 lone 1 60 - 2 - Peak 3752 from cnoeabs.peaks (1.92, 4.32, 59.41 ppm; 3.46 A): 2 out of 4 assignments used, quality = 0.89: * HB2 LYS 39 + HA HIS 36 OK 67 100 - 67 - 3753=14, 2.9/4368=13...(21) HB3 LYS 39 + HA HIS 36 OK 67 100 - 67 - 3753=14, 2.9/4368=13...(21) HB2 ARG 34 - HA HIS 36 lone 8 90 - 8 - ~983=3, ~933=1 HB ILE 50 - HA HIS 36 lone 3 93 - 3 - Peak 3753 from cnoeabs.peaks (4.32, 1.92, 32.12 ppm; 3.70 A): 2 out of 10 assignments used, quality = 0.95: * HA HIS 36 + HB2 LYS 39 OK 77 100 - 77 - 3752=23, 3752/1.8=19...(21) HA HIS 36 + HB3 LYS 39 OK 77 100 - 77 - 3752=23, 3752/1.8=19...(21) HA LEU 41 - HB2 LYS 39 OK 19 76 - 26 - 1006/4.1=6, 1000/3.9=5...(8) HA LEU 41 - HB3 LYS 39 OK 19 75 - 26 - 1006/4.1=6, 1000/3.9=5...(8) HA LYS 49 - HB2 LYS 39 OK 13 97 - 13 - 1000/3.9=3, 1006/4.1=2...(6) HA LYS 49 - HB3 LYS 39 OK 13 96 - 13 - 1000/3.9=3, 1006/4.1=2...(6) HA GLN 63 - HB2 LYS 39 lone 2 100 - 2 - HA GLN 63 - HB3 LYS 39 lone 2 100 - 2 - HA GLU 67 - HB2 LYS 39 lone 2 100 - 2 - HA GLU 67 - HB3 LYS 39 lone 2 100 - 2 - Peak 3754 from cnoeabs.peaks (1.92, 4.32, 59.41 ppm; 3.46 A): 2 out of 4 assignments used, quality = 0.89: * HB3 LYS 39 + HA HIS 36 OK 67 100 - 67 - 3755=14, 2.9/4368=13...(21) HB2 LYS 39 + HA HIS 36 OK 67 100 - 67 - 3753=14, 2.9/4368=13...(21) HB2 ARG 34 - HA HIS 36 lone 8 93 - 8 - ~983=3, ~933=1 HB ILE 50 - HA HIS 36 lone 3 96 - 3 - Peak 3755 from cnoeabs.peaks (4.32, 1.92, 32.12 ppm; 3.70 A): 2 out of 10 assignments used, quality = 0.95: * HA HIS 36 + HB3 LYS 39 OK 77 100 - 77 - 3752=23, 3752/1.8=19...(21) HA HIS 36 + HB2 LYS 39 OK 77 100 - 77 - 3752=23, 3752/1.8=19...(21) HA LEU 41 - HB3 LYS 39 OK 19 76 - 26 - 1006/4.1=6, 1000/3.9=5...(8) HA LEU 41 - HB2 LYS 39 OK 19 75 - 26 - 1006/4.1=6, 1000/3.9=5...(8) HA LYS 49 - HB3 LYS 39 OK 13 97 - 13 - 1000/3.9=3, 1006/4.1=2...(6) HA LYS 49 - HB2 LYS 39 OK 13 96 - 13 - 1000/3.9=3, 1006/4.1=2...(6) HA GLN 63 - HB3 LYS 39 lone 2 100 - 2 - HA GLN 63 - HB2 LYS 39 lone 2 100 - 2 - HA GLU 67 - HB3 LYS 39 lone 2 100 - 2 - HA GLU 67 - HB2 LYS 39 lone 2 100 - 2 - Peak 3756 from cnoeabs.peaks (8.02, 4.32, 59.41 ppm; 3.94 A): 1 out of 1 assignment used, quality = 0.63: H HIS 36 + HA HIS 36 OK 63 63 - 100 - 3.0=100 Reference assignment not found: H ASN 40 - HA HIS 36 Peak 3757 from cnoeabs.peaks (7.67, 4.06, 57.84 ppm; 5.21 A): 4 out of 5 assignments used, quality = 0.93: * H LYS 39 + HA LEU 37 OK 82 100 - 83 - 162/3.6=43, 4.7/3758=20...(12) H VAL 48 + HA LEU 37 OK 40 98 - 41 - 992/3.0=10, 714/3.8=9...(7) H LYS 58 + HA LEU 37 OK 21 100 - 21 - 992/3.0=6, 888/3.6=5...(7) HE22 GLN 47 + HA LEU 37 OK 19 99 - 19 - 992/3.0=4, 6.9/217=4...(5) HE22 GLN 26 - HA LEU 37 lone 3 60 - 5 - 4196/4241=2 Peak 3758 from cnoeabs.peaks (8.02, 4.06, 57.84 ppm; 3.68 A): 3 out of 5 assignments used, quality = 0.85: * H ASN 40 + HA LEU 37 OK 76 100 - 77 - 3.9/3759=21, 3.9/3761=20...(13) H LYS 22 + HA LEU 37 OK 21 96 - 22 - 4147/3.8=5, 997/3.6=4...(7) H HIS 36 + HA LEU 37 OK 21 63 - 34 - 150/3.0=11, 987/3.6=7...(9) H ILE 17 - HA LEU 37 lone 9 99 - 9 - 997/3.6=2, 150/3.0=1...(4) H GLN 53 - HA LEU 37 lone 6 90 - 6 - ~3823=2, 997/3.6=1 Peak 3759 from cnoeabs.peaks (2.76, 4.06, 57.84 ppm; 3.59 A): 1 out of 2 assignments used, quality = 0.74: * HB2 ASN 40 + HA LEU 37 OK 74 100 - 74 - 1.8/3761=30, 4382/3.8=17...(13) HE3 LYS 27 - HA LEU 37 lone 4 100 - 4 - 4382/3.8=1 Peak 3760 from cnoeabs.peaks (4.06, 2.76, 38.33 ppm; 4.08 A): 2 out of 8 assignments used, quality = 0.94: * HA LEU 37 + HB2 ASN 40 OK 89 100 - 89 - 3759=47, 3761/1.8=38...(14) HA LYS 39 + HB2 ASN 40 OK 46 76 - 62 - 3.6/660=33, 3.0/4417=15...(9) HA ARG 21 - HB2 ASN 40 OK 21 96 - 22 - 3762/1.8=4, 3.6/2081=4...(7) HA GLU 33 - HB2 ASN 40 OK 14 95 - 15 - 3762/1.8=3, 3.0/4425=2...(7) HB THR 46 - HB2 ASN 40 OK 12 100 - 12 - 3762/1.8=2, 4.5/3490=2...(6) HB THR 14 - HB2 ASN 40 lone 6 93 - 6 - 3762/1.8=1, 1010/4.2=1 HA ARG 56 - HB2 ASN 40 lone 6 81 - 7 - 1007/4.2=1, 3762/1.8=1 HA SER 24 - HB2 ASN 40 lone 4 85 - 5 - Peak 3761 from cnoeabs.peaks (2.70, 4.06, 57.84 ppm; 3.96 A): 1 out of 3 assignments used, quality = 0.81: * HB3 ASN 40 + HA LEU 37 OK 81 100 - 81 - 1.8/3759=40, 3762=24...(12) HD2 ARG 56 - HA LEU 37 lone 2 96 - 2 - HB3 TYR 28 - HA LEU 37 lone 1 89 - 1 - Peak 3762 from cnoeabs.peaks (4.06, 2.70, 38.33 ppm; 3.78 A): 5 out of 8 assignments used, quality = 0.94: * HA LEU 37 + HB3 ASN 40 OK 83 100 - 83 - 3761=42, 3759/1.8=37...(12) HA LYS 39 + HB3 ASN 40 OK 40 76 - 53 - 3.6/661=27, ~4417=11...(9) HA ARG 21 + HB3 ASN 40 OK 18 96 - 19 - 3.6/2087=4, 3760/1.8=4...(7) HA GLU 33 + HB3 ASN 40 OK 12 95 - 13 - 3760/1.8=2, 3.0/4428=2...(7) HB THR 46 + HB3 ASN 40 OK 10 100 - 10 - 3760/1.8=2, 4.5/3491=2...(5) HB THR 14 - HB3 ASN 40 lone 5 93 - 5 - 3760/1.8=1 HA ARG 56 - HB3 ASN 40 lone 4 81 - 5 - 1007/4.2=1 HA SER 24 - HB3 ASN 40 lone 3 85 - 4 - Peak 3763 from cnoeabs.peaks (8.06, 4.06, 57.84 ppm; 3.39 A): 1 out of 1 assignment used, quality = 0.97: H LEU 37 + HA LEU 37 OK 97 97 - 100 - 3.0=100 Reference assignment not found: H LEU 41 - HA LEU 37 Peak 3764 from cnoeabs.peaks (8.02, 3.61, 55.88 ppm; 4.67 A): 4 out of 5 assignments used, quality = 0.89: * H ASN 40 + HA ALA 38 OK 75 100 - 76 - 1004/2.9=30, 165/3.6=26...(10) H HIS 36 + HA ALA 38 OK 33 63 - 53 - ~3750=14, 987/2.9=12...(6) H LYS 22 + HA ALA 38 OK 28 96 - 29 - 959/2.9=7, 889/3.6=4...(10) H ILE 17 + HA ALA 38 OK 10 99 - 10 - 997/2.9=3, 889/3.6=2, ~3685=1 H GLN 53 - HA ALA 38 lone 9 90 - 9 - 997/2.9=2, 4.6/1038=2, 889/3.6=2 Peak 3765 from cnoeabs.peaks (8.06, 3.61, 55.88 ppm; 4.35 A): 4 out of 6 assignments used, quality = 0.94: * H LEU 41 + HA ALA 38 OK 68 100 - 69 - 1009=20, 1008/3.6=12...(14) H LEU 37 + HA ALA 38 OK 66 97 - 68 - 887/2.9=35, 4389/2.1=15...(12) H GLN 47 + HA ALA 38 OK 37 100 - 37 - 4395/2.1=7, 1002/3.6=7...(11) H LYS 22 + HA ALA 38 OK 14 65 - 21 - 4395/2.1=4, 4.6/4393=4...(7) H ARG 55 - HA ALA 38 lone 8 87 - 9 - 999/3.6=2, 155/2.9=2...(4) H GLN 53 - HA ALA 38 lone 6 76 - 7 - 4395/2.1=2, 4.6/1038=2 Peak 3766 from cnoeabs.peaks (1.62, 3.61, 55.88 ppm; 3.89 A): 4 out of 11 assignments used, quality = 0.91: HB3 LEU 43 + HA ALA 38 OK 73 93 - 79 - 1.8/4402=32, 3.1/4404=24...(9) * HB2 LEU 41 + HA ALA 38 OK 53 100 - 53 - 1.8/3768=11, ~4461=11...(10) HG2 ARG 61 + HA ALA 38 OK 14 81 - 18 - 3.0/4688=6, 3.0/4688=6...(5) HG3 ARG 61 + HA ALA 38 OK 14 78 - 18 - 3.0/4688=6, 3.0/4688=6...(5) HB3 LEU 64 - HA ALA 38 lone 9 100 - 9 - 3767=2, ~3473=2, ~157=1, ~160=1 HB3 GLN 15 - HA ALA 38 lone 8 90 - 9 - 4023/4404=4, ~996=1, ~4412=1 HG3 ARG 21 - HA ALA 38 lone 6 95 - 7 - 4.7/4393=3 HG LEU 64 - HA ALA 38 lone 5 78 - 6 - 3.0/3767=2, ~160=1, ~3473=1 HB3 LEU 68 - HA ALA 38 lone 3 93 - 3 - HG LEU 68 - HA ALA 38 lone 3 100 - 3 - HB2 LEU 68 - HA ALA 38 lone 2 85 - 2 - Peak 3767 from cnoeabs.peaks (3.61, 1.62, 42.54 ppm; 4.93 A): 4 out of 16 assignments used, quality = 0.90: * HA ALA 38 + HB2 LEU 41 OK 71 100 - 71 - 3768/1.8=19, ~4461=18...(10) HA VAL 48 + HB2 LEU 41 OK 48 90 - 53 - 4455/3.1=12, 3769/1.8=12...(11) HA LEU 19 + HB2 LEU 41 OK 26 65 - 40 - ~4438=15, 4455/3.1=10...(7) HA ALA 38 + HB3 LEU 64 OK 15 96 - 15 - ~3473=3, 3766=3, ~157=2...(5) HA GLU 45 - HB2 LEU 41 lone 4 60 - 7 - 1009/4.0=2, 3769/1.8=1 HA ALA 38 - HB3 LEU 68 lone 4 76 - 5 - HA ALA 38 - HB2 LEU 68 lone 3 57 - 4 - HA VAL 48 - HB3 LEU 64 lone 2 83 - 3 - HA VAL 48 - HB3 LEU 68 lone 2 63 - 3 - HA LEU 19 - HB3 LEU 64 lone 2 59 - 3 - HA GLU 45 - HB3 LEU 64 lone 1 54 - 2 - HA VAL 48 - HB2 LEU 68 lone 1 46 - 2 - HA LEU 19 - HB3 LEU 68 lone 1 43 - 2 - HA GLU 45 - HB3 LEU 68 lone 1 39 - 2 - HA LEU 19 - HB2 LEU 68 lone 1 31 - 2 - HA GLU 45 - HB2 LEU 68 lone 1 28 - 2 - Peak 3768 from cnoeabs.peaks (1.43, 3.61, 55.88 ppm; 4.90 A): 2 out of 10 assignments used, quality = 0.88: * HB3 LEU 41 + HA ALA 38 OK 78 100 - 78 - 4461/2.1=24, 3769=19...(16) HG2 LYS 39 + HA ALA 38 OK 44 100 - 44 - 652/3.6=15, 5.0/1003=14...(6) HG3 LYS 58 - HA ALA 38 poor 10 65 - 15 - 2863/3.6=4, ~4406=2...(7) HB2 LYS 27 - HA ALA 38 lone 7 98 - 7 - 652/3.6=2, ~1603=1, 3.8/4402=1 HG2 LYS 62 - HA ALA 38 lone 5 99 - 5 - 652/3.6=2 HG3 LYS 62 - HA ALA 38 lone 5 99 - 5 - 652/3.6=2 HG3 LYS 49 - HA ALA 38 lone 5 60 - 8 - ~4407=2, ~159=1, ~4414=1 HG3 LYS 60 - HA ALA 38 lone 4 100 - 4 - 652/3.6=2 HG2 LYS 60 - HA ALA 38 lone 4 100 - 4 - 652/3.6=2 HG3 ARG 56 - HA ALA 38 lone 4 68 - 5 - 652/3.6=1 Peak 3769 from cnoeabs.peaks (3.61, 1.43, 42.54 ppm; 5.19 A): 3 out of 4 assignments used, quality = 0.94: * HA ALA 38 + HB3 LEU 41 OK 82 100 - 82 - 2.1/4461=25, 3768=23...(16) HA VAL 48 + HB3 LEU 41 OK 55 90 - 61 - 4455/3.1=13, 3.2/4463=12...(12) HA LEU 19 + HB3 LEU 41 OK 32 65 - 49 - ~4438=17, 4455/3.1=11...(9) HA GLU 45 - HB3 LEU 41 poor 7 60 - 12 - 1009/4.0=2, 4511/4461=2...(5) Peak 3770 from cnoeabs.peaks (8.06, 4.08, 59.02 ppm; 3.78 A): 5 out of 12 assignments used, quality = 0.86: * H LEU 41 + HA LYS 39 OK 58 100 - 58 - 175/3.6=22, 4.6/4893=11...(13) H LEU 37 + HA LYS 39 OK 46 97 - 48 - 999/3.0=13, 890/3.6=11...(12) H GLN 47 + HA LYS 39 OK 22 100 - 22 - 1002/3.0=7, 217=4...(6) H LEU 41 + HA GLU 33 OK 13 88 - 14 - 4.6/4893=4, 1007=3, 668/3.0=2 H LEU 37 + HA GLU 33 OK 12 82 - 14 - 4.7/985=3, 4.6/3733=2...(4) H LYS 22 - HA LYS 39 lone 6 65 - 9 - 4395/5.0=2, 1002/3.0=2 H ARG 55 - HA LYS 39 lone 4 87 - 5 - 999/3.0=2 H GLN 47 - HA GLU 33 lone 4 86 - 5 - 217=1, 4.6/3731=1 H GLN 53 - HA LYS 39 lone 3 76 - 4 - H LYS 22 - HA GLU 33 lone 2 51 - 4 - H GLN 53 - HA GLU 33 lone 2 60 - 3 - H ARG 55 - HA GLU 33 lone 1 70 - 1 - Peak 3772 from cnoeabs.peaks (7.68, 3.64, 61.08 ppm; 4.24 A): 3 out of 4 assignments used, quality = 0.78: * H VAL 48 + HA GLU 45 OK 64 100 - 65 - 3.8/3773=22, 4.0/4512=21...(9) H LYS 39 + HA GLU 45 OK 27 98 - 27 - 3.6/4511=12, 1012/3.6=4...(8) HE22 GLN 47 + HA GLU 45 OK 15 90 - 16 - 1012/3.6=5, 6.9/1013=4...(5) H LYS 58 - HA GLU 45 lone 5 100 - 5 - 1012/3.6=1 Peak 3773 from cnoeabs.peaks (2.16, 3.64, 61.08 ppm; 3.71 A): 2 out of 4 assignments used, quality = 0.57: * HB VAL 48 + HA GLU 45 OK 52 100 - 52 - 2.1/4512=24, 4.4/3775=13...(9) HB3 LYS 42 + HA GLU 45 OK 11 97 - 11 - 2.9/4511=3, 2.9/4511=3 HB2 GLU 20 - HA GLU 45 lone 6 100 - 5 - 4.1/953=3 HB2 GLN 53 - HA GLU 45 lone 3 93 - 3 - Peak 3774 from cnoeabs.peaks (3.64, 2.16, 32.06 ppm; 3.62 A): 1 out of 1 assignment used, quality = 0.95: HA VAL 48 + HB VAL 48 OK 95 95 - 100 - 3.0=100 Reference assignment not found: HA GLU 45 - HB VAL 48 Peak 3775 from cnoeabs.peaks (8.54, 3.64, 61.08 ppm; 5.13 A): 1 out of 1 assignment used, quality = 0.66: * H LYS 49 + HA GLU 45 OK 66 100 - 67 - 4.1/4512=28, 4.4/3773=25...(8) Peak 3777 from cnoeabs.peaks (8.54, 3.90, 66.50 ppm; 4.04 A): 1 out of 1 assignment used, quality = 0.81: * H LYS 49 + HA THR 46 OK 81 100 - 81 - 1022=35, 1015/3.6=23...(11) Peak 3778 from cnoeabs.peaks (2.13, 3.90, 66.50 ppm; 3.44 A): 1 out of 4 assignments used, quality = 0.72: * HB2 LYS 49 + HA THR 46 OK 72 100 - 72 - 3779=28, 1.8/3781=20...(11) HB3 LYS 42 - HA THR 46 poor 10 68 - 14 - 1.8/3780=4, 2.9/4535=3...(4) HB2 GLN 53 - HA THR 46 lone 4 76 - 5 - 234/3782=2, 4541/3.6=1 HG3 PRO 32 - HA THR 46 lone 3 60 - 4 - 5.0/131=1, 3.8/1795=1 Peak 3779 from cnoeabs.peaks (3.90, 2.13, 33.10 ppm; 3.69 A): 3 out of 4 assignments used, quality = 0.86: * HA THR 46 + HB2 LYS 49 OK 80 100 - 80 - 3778=41, 3781/1.8=23...(11) HD2 PRO 32 + HB2 LYS 49 OK 16 98 - 16 - 3781/1.8=5, 4289/3.0=3...(7) HA LYS 27 + HB2 LYS 49 OK 16 100 - 16 - 3781/1.8=5, 1022/4.0=3...(6) HB2 SER 65 - HB2 LYS 49 lone 2 65 - 2 - Peak 3780 from cnoeabs.peaks (1.88, 3.90, 66.50 ppm; 3.87 A): 3 out of 6 assignments used, quality = 0.88: * HB3 LYS 49 + HA THR 46 OK 82 100 - 82 - 1.8/3778=35, 3781=32...(11) HB3 ARG 34 + HA THR 46 OK 18 78 - 23 - 3.0/4535=7, 3461/2.9=3...(6) HB2 LYS 42 + HA THR 46 OK 17 98 - 17 - 1.8/3778=5, 2.9/4535=4...(5) HB2 GLU 33 - HA THR 46 lone 8 100 - 8 - 4.0/131=2, ~3731=1, 4308/3.2=1 HG LEU 41 - HA THR 46 lone 5 93 - 6 - 2114/3.6=2, 718/3777=1 HG2 ARG 21 - HA THR 46 lone 4 78 - 5 - Peak 3781 from cnoeabs.peaks (3.90, 1.88, 33.10 ppm; 3.94 A): 3 out of 4 assignments used, quality = 0.89: * HA THR 46 + HB3 LYS 49 OK 83 100 - 83 - 3778/1.8=35, 3780=31...(11) HA LYS 27 + HB3 LYS 49 OK 18 100 - 18 - 3779/1.8=6, 1022/4.0=3...(6) HD2 PRO 32 + HB3 LYS 49 OK 18 98 - 18 - 3779/1.8=6, 4289/3.0=3...(7) HB2 SER 65 - HB3 LYS 49 lone 2 65 - 3 - Peak 3782 from cnoeabs.peaks (8.69, 3.90, 66.50 ppm; 4.49 A): 1 out of 1 assignment used, quality = 0.71: * H ILE 50 + HA THR 46 OK 71 100 - 71 - 4.5/3777=26, 1028=26...(6) Peak 3783 from cnoeabs.peaks (8.54, 3.96, 59.66 ppm; 6.00 A): 1 out of 1 assignment used, quality = 0.90: * H LYS 49 + HA GLN 47 OK 90 100 - 90 - 898/3.6=48, 1015/3.0=46...(6) Peak 3784 from cnoeabs.peaks (8.69, 3.96, 59.66 ppm; 4.55 A): 1 out of 1 assignment used, quality = 0.74: * H ILE 50 + HA GLN 47 OK 74 100 - 74 - 1027=22, 4.9/4544=21...(7) Peak 3785 from cnoeabs.peaks (1.94, 3.96, 59.66 ppm; 3.60 A): 3 out of 6 assignments used, quality = 0.75: * HB ILE 50 + HA GLN 47 OK 67 100 - 68 - 3.2/4544=19, 3786=19...(10) HB3 LYS 39 + HA GLN 47 OK 13 96 - 13 - 4545/3.0=2, 3.9/1001=2...(7) HB2 LYS 39 + HA GLN 47 OK 12 93 - 13 - 4545/3.0=2, 3.9/1001=2...(7) HD3 LYS 22 - HA GLN 47 poor 9 73 - 12 - ~705=2, 3.5/2326=2...(4) HB2 ARG 34 - HA GLN 47 lone 8 100 - 8 - 4545/3.0=2, ~3739=1 HB3 GLU 67 - HA GLN 47 lone 1 76 - 2 - Peak 3786 from cnoeabs.peaks (3.96, 1.94, 37.64 ppm; 3.82 A): 3 out of 9 assignments used, quality = 0.89: * HA GLN 47 + HB ILE 50 OK 75 100 - 76 - 3785=30, 4544/3.2=22...(10) HA GLN 53 + HB ILE 50 OK 48 81 - 59 - ~3806=11, 4649/3.0=10...(15) HA LYS 42 + HB ILE 50 OK 15 78 - 19 - 4602/2.1=3, ~4607=2...(10) HB2 SER 66 - HB ILE 50 lone 6 90 - 6 - 4.0/3543=3 HB2 SER 24 - HB ILE 50 lone 5 97 - 5 - ~4602=1 HB3 SER 24 - HB ILE 50 lone 5 95 - 5 - ~4602=1 HA ALA 35 - HB ILE 50 lone 4 76 - 6 - 4602/2.1=1 HB2 SER 65 - HB ILE 50 lone 3 63 - 5 - 4.5/3543=3 HB3 SER 12 - HB ILE 50 lone 2 97 - 2 - Peak 3787 from cnoeabs.peaks (8.27, 3.96, 59.66 ppm; 4.73 A): 1 out of 3 assignments used, quality = 0.72: * H TRP 51 + HA GLN 47 OK 72 100 - 72 - 4.7/3784=25, 1033=23...(9) H ASN 54 - HA GLN 47 poor 9 60 - 16 - 5.1/2327=3, 900/3784=2...(7) H SER 66 - HA GLN 47 lone 8 92 - 9 - 900/3784=2, 3547/4544=2...(4) Peak 3789 from cnoeabs.peaks (8.27, 3.63, 67.46 ppm; 4.40 A): 1 out of 3 assignments used, quality = 0.75: * H TRP 51 + HA VAL 48 OK 75 100 - 75 - 1032=31, 1031/3.6=26...(9) H ASN 54 - HA VAL 48 poor 7 60 - 12 - 1046/3794=3, 1024/3.6=3 H SER 66 - HA VAL 48 lone 5 92 - 6 - 1024/3.6=2 Peak 3790 from cnoeabs.peaks (3.50, 3.63, 67.46 ppm; 4.02 A): 2 out of 2 assignments used, quality = 0.79: * HB2 TRP 51 + HA VAL 48 OK 71 100 - 71 - 3791=25, 1.8/3793=21...(9) HB3 PHE 52 + HA VAL 48 OK 28 63 - 44 - 4.1/3794=16, ~4792=11...(7) Peak 3791 from cnoeabs.peaks (3.63, 3.50, 29.17 ppm; 4.11 A): 3 out of 4 assignments used, quality = 0.88: * HA VAL 48 + HB2 TRP 51 OK 76 100 - 76 - 3790=36, 3793/1.8=21...(9) HA LEU 19 + HB2 TRP 51 OK 43 97 - 45 - 4.0/4114=20, 3793/1.8=10...(7) HA GLU 45 + HB2 TRP 51 OK 15 95 - 16 - 4512/4622=4, 3793/1.8=4...(4) HA ALA 38 - HB2 TRP 51 lone 9 90 - 10 - 3793/1.8=2, 4403/4622=2...(5) Peak 3792 from cnoeabs.peaks (3.29, 3.63, 67.46 ppm; 4.32 A): 3 out of 5 assignments used, quality = 0.96: * HB3 TRP 51 + HA VAL 48 OK 77 100 - 77 - 1.8/3790=30, 3793=28...(9) HD3 ARG 34 + HA VAL 48 OK 64 78 - 82 - 4344/3.6=18, 4336/3.0=17...(18) HB2 PHE 52 + HA VAL 48 OK 47 89 - 54 - 4.1/3794=18, ~4792=13...(8) HB3 HIS 13 - HA VAL 48 lone 2 85 - 2 - HB3 HIS 25 - HA VAL 48 lone 2 90 - 2 - Peak 3793 from cnoeabs.peaks (3.63, 3.29, 29.17 ppm; 4.10 A): 3 out of 4 assignments used, quality = 0.83: * HA VAL 48 + HB3 TRP 51 OK 71 100 - 71 - 3790/1.8=28, 3789/4.1=19...(9) HA LEU 19 + HB3 TRP 51 OK 35 97 - 36 - 3791/1.8=11, 4.0/4751=9...(6) HA GLU 45 + HB3 TRP 51 OK 13 95 - 14 - 3791/1.8=4, 1032/4.1=3...(5) HA ALA 38 - HB3 TRP 51 lone 8 90 - 8 - 3791/1.8=2, 1038/4.3=2 Peak 3794 from cnoeabs.peaks (8.94, 3.63, 67.46 ppm; 5.46 A): 1 out of 1 assignment used, quality = 0.85: * H PHE 52 + HA VAL 48 OK 85 100 - 85 - 4632/3.2=30, 1038=30...(9) Peak 3796 from cnoeabs.peaks (8.94, 4.33, 59.98 ppm; 5.19 A): 1 out of 1 assignment used, quality = 0.76: * H PHE 52 + HA LYS 49 OK 76 100 - 76 - 1036/3.6=32, 1037=26...(9) Peak 3797 from cnoeabs.peaks (3.27, 4.33, 59.98 ppm; 4.01 A): 3 out of 4 assignments used, quality = 0.96: HD3 ARG 34 + HA LYS 49 OK 83 100 - 84 - 4342=26, 4344/3.0=25...(13) * HB2 PHE 52 + HA LYS 49 OK 60 100 - 60 - 4.1/3796=17, 1.8/3800=15...(9) HB3 TRP 51 + HA LYS 49 OK 34 89 - 38 - 4.3/3796=16, 4589/3.0=7...(9) HB3 HIS 13 - HA LYS 49 lone 3 100 - 3 - Peak 3798 from cnoeabs.peaks (4.33, 3.27, 39.64 ppm; 5.18 A): 4 out of 7 assignments used, quality = 0.87: * HA LYS 49 + HB2 PHE 52 OK 78 100 - 78 - 3796/4.1=29, 3800/1.8=24...(9) HA ASN 54 + HB2 PHE 52 OK 22 65 - 33 - ~1045=10, ~1048=7...(5) HA LEU 41 + HB2 PHE 52 OK 18 96 - 18 - 3800/1.8=5, 1043/4.5=4...(5) HA LYS 22 + HB2 PHE 52 OK 12 76 - 16 - 1043/4.5=6, 3800/1.8=3...(4) HA GLN 63 - HB2 PHE 52 lone 6 93 - 7 - 3800/1.8=2, 1043/4.5=2 HA HIS 36 - HB2 PHE 52 lone 6 97 - 6 - 3800/1.8=2, 1043/4.5=1 HA GLU 67 - HB2 PHE 52 lone 5 92 - 5 - 3800/1.8=1 Peak 3799 from cnoeabs.peaks (3.53, 4.33, 59.98 ppm; 4.02 A): 3 out of 3 assignments used, quality = 0.92: HD2 ARG 34 + HA LYS 49 OK 76 93 - 81 - 1.8/4342=23, 4340=21...(13) * HB3 PHE 52 + HA LYS 49 OK 59 100 - 60 - 4.1/3796=17, 3800=16...(9) HB2 TRP 51 + HA LYS 49 OK 22 63 - 35 - 4.3/3796=16, 1.8/3797=7...(7) Peak 3800 from cnoeabs.peaks (4.33, 3.53, 39.64 ppm; 4.85 A): 4 out of 7 assignments used, quality = 0.84: * HA LYS 49 + HB3 PHE 52 OK 73 100 - 73 - 3796/4.1=25, 3798/1.8=19...(9) HA ASN 54 + HB3 PHE 52 OK 19 65 - 30 - ~1045=9, ~1048=6...(5) HA LEU 41 + HB3 PHE 52 OK 16 96 - 16 - 3798/1.8=4, 1043/4.5=4...(5) HA LYS 22 + HB3 PHE 52 OK 11 76 - 14 - 1043/4.5=6, 3798/1.8=3...(4) HA GLN 63 - HB3 PHE 52 lone 5 93 - 6 - 3798/1.8=2, 1043/4.5=1 HA HIS 36 - HB3 PHE 52 lone 5 97 - 5 - 3798/1.8=2, 1043/4.5=1 HA GLU 67 - HB3 PHE 52 lone 4 92 - 4 - 3798/1.8=1 Peak 3802 from cnoeabs.peaks (8.94, 3.77, 64.05 ppm; 5.15 A): 1 out of 1 assignment used, quality = 0.71: * H PHE 52 + HA ILE 50 OK 71 100 - 71 - 901/3.6=42, 1036/3.0=35...(5) Peak 3803 from cnoeabs.peaks (8.03, 3.77, 64.05 ppm; 4.09 A): 3 out of 6 assignments used, quality = 0.92: * H GLN 53 + HA ILE 50 OK 78 100 - 78 - 4.0/3806=25, 1041/3.6=16...(12) H GLN 47 + HA ILE 50 OK 44 87 - 51 - ~3784=13, ~3785=9...(9) H LYS 22 + HA ILE 50 OK 33 100 - 33 - 4147/3.2=6, 4.0/4600=5...(11) H ASN 40 - HA ILE 50 lone 9 90 - 10 - 1034/3.6=1, 1004/996=1 H ILE 17 - HA ILE 50 poor 8 73 - 11 - 4.0/2477=3 H LEU 41 - HA ILE 50 lone 5 76 - 7 - Peak 3804 from cnoeabs.peaks (2.15, 3.77, 64.05 ppm; 3.40 A): 3 out of 5 assignments used, quality = 0.88: * HB2 GLN 53 + HA ILE 50 OK 74 100 - 75 - 1.8/3806=30, 3805=15...(16) HB2 LYS 49 + HA ILE 50 OK 41 76 - 54 - 3534/3.0=15, ~3535=13...(12) HB3 LYS 42 + HA ILE 50 OK 18 100 - 18 - 3805=4, 4607/3.2=2...(7) HB VAL 48 - HA ILE 50 lone 8 93 - 9 - 4624/3.6=3, 2.1/4853=2 HB2 GLU 20 - HA ILE 50 lone 4 93 - 4 - Peak 3805 from cnoeabs.peaks (3.77, 2.15, 28.54 ppm; 3.87 A): 5 out of 21 assignments used, quality = 0.94: * HA ILE 50 + HB2 GLN 53 OK 85 100 - 85 - 3806/1.8=38, 3804=26...(16) HA PHE 52 + HB2 GLN 53 OK 33 89 - 38 - 3.6/750=22, 3807/1.8=9...(4) HA ILE 50 + HB3 LYS 42 OK 21 85 - 24 - 3804=6, 3.2/4607=3...(10) HA GLN 15 + HB3 LYS 42 OK 12 64 - 18 - 5.9/4039=9, 5.9/4032=9 HA ARG 34 + HB2 GLN 53 OK 11 90 - 12 - 3807/1.8=3, 4649/3.0=2...(5) HA GLN 15 - HB2 GLN 53 lone 8 83 - 9 - 5.9/4655=2, 4649/3.0=2...(5) HA ARG 34 - HB3 LYS 42 lone 6 71 - 8 - 4412/4409=2, 3742/3.8=1 HA ARG 34 - HB2 GLU 20 poor 4 38 - 10 - 3744/4.0=2, ~3724=1...(5) HA ILE 50 - HB2 GLU 20 lone 3 47 - 6 - 3804=1, 4601/3.0=1 HD3 PRO 32 - HB2 GLN 53 lone 3 68 - 4 - HA PHE 52 - HB2 GLU 20 lone 2 37 - 5 - 3.6/750=4 HA PHE 52 - HB3 LYS 42 lone 2 70 - 3 - 3.6/750=1 HA3 GLY 69 - HB2 GLN 53 lone 1 65 - 2 - HA2 GLY 69 - HB2 GLN 53 lone 1 63 - 2 - HA GLN 15 - HB2 GLU 20 lone 1 33 - 3 - HA3 GLY 69 - HB3 LYS 42 lone 1 49 - 1 - HD3 PRO 32 - HB3 LYS 42 lone 1 51 - 1 - HA2 GLY 69 - HB3 LYS 42 lone 1 47 - 1 - HD3 PRO 32 - HB2 GLU 20 lone 0 26 - 1 - HA3 GLY 69 - HB2 GLU 20 lone 0 25 - 1 - HA2 GLY 69 - HB2 GLU 20 lone 0 24 - 1 - Peak 3806 from cnoeabs.peaks (2.22, 3.77, 64.05 ppm; 3.65 A): 1 out of 4 assignments used, quality = 0.75: * HB3 GLN 53 + HA ILE 50 OK 75 100 - 75 - 3807=24, 1.8/3804=20...(13) HG2 ARG 56 - HA ILE 50 lone 2 83 - 3 - HG3 GLU 33 - HA ILE 50 lone 2 92 - 2 - HG3 GLU 67 - HA ILE 50 lone 1 65 - 1 - Peak 3807 from cnoeabs.peaks (3.77, 2.22, 28.54 ppm; 3.96 A): 3 out of 7 assignments used, quality = 0.92: * HA ILE 50 + HB3 GLN 53 OK 86 100 - 86 - 3806=47, 3804/1.8=23...(13) HA PHE 52 + HB3 GLN 53 OK 36 89 - 40 - 3.6/751=26, 1045/4.4=8...(4) HA ARG 34 + HB3 GLN 53 OK 10 90 - 11 - 4649/3.0=3, 3805/1.8=2...(5) HA GLN 15 - HB3 GLN 53 lone 5 83 - 6 - 4649/3.0=2, 3805/1.8=2 HD3 PRO 32 - HB3 GLN 53 lone 3 68 - 4 - 4649/3.0=1 HA3 GLY 69 - HB3 GLN 53 lone 1 65 - 2 - HA2 GLY 69 - HB3 GLN 53 lone 1 63 - 2 - Peak 3808 from cnoeabs.peaks (8.29, 3.77, 64.05 ppm; 4.34 A): 1 out of 1 assignment used, quality = 0.60: H TRP 51 + HA ILE 50 OK 60 60 - 100 - 3.6=100 Reference assignment not found: H ASN 54 - HA ILE 50 Peak 3810 from cnoeabs.peaks (8.29, 4.02, 63.12 ppm; 4.13 A): 1 out of 1 assignment used, quality = 0.60: H TRP 51 + HA TRP 51 OK 60 60 - 100 - 2.9=100 Reference assignment not found: H ASN 54 - HA TRP 51 Peak 3811 from cnoeabs.peaks (2.48, 4.02, 63.12 ppm; 4.84 A): 2 out of 5 assignments used, quality = 0.92: * HB2 ASN 54 + HA TRP 51 OK 89 100 - 89 - 1.8/3813=46, 3812=41...(12) HG2 GLU 20 + HA TRP 51 OK 29 96 - 30 - 4132/7.7=11, 4617/6.4=9...(4) HG3 MET 11 - HA TRP 51 lone 7 98 - 7 - 4617/6.4=2, 4691/8.2=1 HG3 GLN 15 - HA TRP 51 lone 4 97 - 4 - HB2 GLN 15 - HA TRP 51 lone 1 60 - 2 - Peak 3812 from cnoeabs.peaks (4.02, 2.48, 37.68 ppm; 4.60 A): 2 out of 3 assignments used, quality = 0.87: * HA TRP 51 + HB2 ASN 54 OK 85 100 - 85 - 3813/1.8=43, 3811=29...(11) HB2 SER 30 + HB2 ASN 54 OK 13 99 - 13 - 3814/1.8=5, 4664/3.4=4 HB THR 14 - HB2 ASN 54 lone 5 63 - 7 - 4664/3.4=2, 3814/1.8=2...(4) Peak 3813 from cnoeabs.peaks (2.65, 4.02, 63.12 ppm; 4.22 A): 1 out of 1 assignment used, quality = 0.80: * HB3 ASN 54 + HA TRP 51 OK 80 100 - 80 - 3814=42, 1.8/3812=27...(10) Peak 3814 from cnoeabs.peaks (4.02, 2.65, 37.68 ppm; 4.24 A): 2 out of 3 assignments used, quality = 0.85: * HA TRP 51 + HB3 ASN 54 OK 83 100 - 83 - 3813=50, 3812/1.8=28...(10) HB2 SER 30 + HB3 ASN 54 OK 12 99 - 11 - 3812/1.8=5, 4664/3.4=3 HB THR 14 - HB3 ASN 54 lone 3 63 - 5 - 3812/1.8=2, 4664/3.4=1 Peak 3815 from cnoeabs.peaks (8.07, 4.02, 63.12 ppm; 4.93 A): 3 out of 4 assignments used, quality = 0.75: * H ARG 55 + HA TRP 51 OK 63 100 - 63 - 4.6/3813=29, 4.6/3812=22...(6) H GLN 47 + HA TRP 51 OK 22 76 - 29 - ~3787=16, ~1033=9, 1034/2.9=2 H LEU 37 + HA TRP 51 OK 15 99 - 15 - 4.5/4623=7, 3568/3813=2...(5) H LEU 41 - HA TRP 51 lone 6 87 - 7 - Peak 3817 from cnoeabs.peaks (8.07, 3.76, 63.31 ppm; 4.27 A): 1 out of 4 assignments used, quality = 0.63: * H ARG 55 + HA PHE 52 OK 63 100 - 63 - 1052=36, 4.0/3818=18...(6) H LEU 41 - HA PHE 52 lone 8 87 - 9 - 175/3.6=2, ~3800=2...(4) H LEU 37 - HA PHE 52 lone 4 99 - 4 - 4.5/4384=2 H GLN 47 - HA PHE 52 lone 2 76 - 3 - Peak 3818 from cnoeabs.peaks (0.65, 3.76, 63.31 ppm; 4.11 A): 2 out of 3 assignments used, quality = 0.61: * HB2 ARG 55 + HA PHE 52 OK 54 100 - 54 - 3819=22, 4.0/3817=19...(7) QD1 LEU 43 + HA PHE 52 OK 15 100 - 15 - 4478/4113=8, 4703/3820=3...(4) HG2 LYS 27 - HA PHE 52 lone 9 87 - 10 - 4650/4795=3, 4653/4796=3...(4) Peak 3819 from cnoeabs.peaks (3.76, 0.65, 28.41 ppm; 5.07 A): 1 out of 4 assignments used, quality = 0.71: * HA PHE 52 + HB2 ARG 55 OK 71 100 - 71 - 3818=35, 3817/4.0=27...(7) HA ILE 50 - HB2 ARG 55 lone 8 89 - 9 - 1052/4.0=6, 4601/3.7=1 HA3 GLY 69 - HB2 ARG 55 lone 3 97 - 3 - HA2 GLY 69 - HB2 ARG 55 lone 3 97 - 3 - Peak 3820 from cnoeabs.peaks (-0.28, 3.76, 63.31 ppm; 4.45 A): 3 out of 3 assignments used, quality = 0.88: HG2 ARG 55 + HA PHE 52 OK 52 100 - 53 - 3.0/3818=24, 5.1/3817=17...(7) * HB3 ARG 55 + HA PHE 52 OK 52 100 - 52 - 1.8/3818=30, 4.0/3817=22...(6) QD1 LEU 19 + HA PHE 52 OK 49 100 - 49 - 2.1/4113=25, 4706/3.7=13...(9) Peak 3822 from cnoeabs.peaks (7.75, 3.76, 63.31 ppm; 3.98 A): 1 out of 1 assignment used, quality = 1.00: QD PHE 52 + HA PHE 52 OK 100 100 - 100 - 3.7=100 Reference assignment not found: H ARG 56 - HA PHE 52 Peak 3823 from cnoeabs.peaks (8.07, 3.94, 59.15 ppm; 4.29 A): 2 out of 4 assignments used, quality = 0.49: * H ARG 55 + HA GLN 53 OK 43 100 - 44 - 273/3.6=24, 4.5/3824=13...(4) H LEU 37 + HA GLN 53 OK 10 99 - 10 - 904/3.6=4, 4.0/3825=1 H LEU 41 - HA GLN 53 lone 8 87 - 9 - 175/2.9=3, 904/3.6=2, ~1043=2 H GLN 47 - HA GLN 53 lone 7 76 - 9 - 4541/3.0=3, 904/3.6=2 Peak 3824 from cnoeabs.peaks (7.75, 3.94, 59.15 ppm; 4.62 A): 2 out of 3 assignments used, quality = 0.84: * H ARG 56 + HA GLN 53 OK 73 100 - 74 - 1057=29, 3.9/3826=18...(7) QD PHE 52 + HA GLN 53 OK 40 100 - 40 - ~3558=15, ~262=14...(4) H THR 59 - HA GLN 53 lone 3 78 - 4 - 287/3829=1 Peak 3825 from cnoeabs.peaks (1.72, 3.94, 59.15 ppm; 4.78 A): 4 out of 11 assignments used, quality = 0.88: * HB2 ARG 56 + HA GLN 53 OK 69 100 - 70 - 3826=34, 1.8/3827=24...(6) HG13 ILE 50 + HA GLN 53 OK 33 60 - 55 - 4.0/4649=19, 2.1/4603=11...(10) HG2 LYS 22 + HA GLN 53 OK 31 99 - 32 - 2.9/3827=7, 1434/2.9=7...(8) HB3 LEU 37 + HA GLN 53 OK 12 97 - 12 - 4.0/3823=5, 3743/4649=1 HD2 LYS 49 - HA GLN 53 lone 6 87 - 7 - 6.2/1020=2 HD3 LYS 49 - HA GLN 53 lone 6 85 - 7 - 6.2/1020=2 HB3 LYS 58 - HA GLN 53 lone 5 97 - 5 - 289/3829=2 HD2 LYS 39 - HA GLN 53 lone 4 65 - 5 - HD3 LYS 39 - HA GLN 53 lone 4 65 - 5 - HD2 LYS 42 - HA GLN 53 lone 3 100 - 3 - HB3 ARG 61 - HA GLN 53 lone 3 99 - 3 - Peak 3826 from cnoeabs.peaks (3.94, 1.72, 31.63 ppm; 4.79 A): 1 out of 6 assignments used, quality = 0.63: * HA GLN 53 + HB2 ARG 56 OK 63 100 - 63 - 3827/1.8=24, 3825=20...(6) HA GLN 47 - HB2 ARG 56 poor 9 81 - 11 - 1057/3.9=4, 3828/1.8=3...(4) HB2 SER 66 - HB2 ARG 56 lone 5 100 - 5 - 3828/1.8=2, 1057/3.9=2 HB3 SER 12 - HB2 ARG 56 lone 5 97 - 6 - 3828/1.8=2, 1057/3.9=1 HB2 SER 65 - HB2 ARG 56 lone 5 99 - 5 - 3828/1.8=2, 1057/3.9=2 HD2 PRO 32 - HB2 ARG 56 lone 2 71 - 3 - Peak 3827 from cnoeabs.peaks (2.04, 3.94, 59.15 ppm; 4.44 A): 3 out of 7 assignments used, quality = 0.73: * HB3 ARG 56 + HA GLN 53 OK 61 100 - 62 - 1.8/3826=24, 3828=24...(6) HB2 LYS 22 + HA GLN 53 OK 22 83 - 27 - ~753=6, 2.9/3825=5...(7) HB3 GLU 20 + HA GLN 53 OK 12 100 - 12 - ~750=4, ~3705=2, ~752=2, ~2631=1 HB3 GLN 26 - HA GLN 53 lone 4 93 - 5 - 3828=2, 1.8/3828=1 HB2 GLN 26 - HA GLN 53 lone 4 93 - 5 - 3828=2, 1.8/3828=1 HB2 GLU 45 - HA GLN 53 lone 2 99 - 2 - HB3 GLU 45 - HA GLN 53 lone 2 97 - 2 - Peak 3828 from cnoeabs.peaks (3.94, 2.04, 31.63 ppm; 4.65 A): 1 out of 18 assignments used, quality = 0.66: * HA GLN 53 + HB3 ARG 56 OK 66 100 - 66 - 3827=28, 3826/1.8=26...(6) HA GLN 47 - HB3 ARG 56 poor 9 81 - 11 - 1057/3.9=4, 3826/1.8=4...(4) HB3 SER 12 - HB2 GLN 26 lone 6 66 - 9 - ~4192=3, 3.0/4192=2, ~4188=2 HB3 SER 12 - HB3 GLN 26 lone 6 66 - 9 - ~4192=3, 3.0/4192=2, ~4188=2 HB2 SER 66 - HB3 ARG 56 lone 6 100 - 6 - 3826/1.8=2, 1057/3.9=2 HB3 SER 12 - HB3 ARG 56 lone 5 97 - 6 - 3826/1.8=2, 1057/3.9=1 HB2 SER 65 - HB3 ARG 56 lone 5 99 - 5 - 3826/1.8=2, 1057/3.9=2 HA GLN 53 - HB2 GLN 26 lone 4 72 - 6 - 3827=2, 3827/1.8=2 HA GLN 53 - HB3 GLN 26 lone 4 72 - 6 - 3827=2, 3827/1.8=2 HD2 PRO 32 - HB3 ARG 56 lone 3 71 - 3 - 3826/1.8=1 HB2 SER 66 - HB2 GLN 26 lone 1 71 - 2 - HB2 SER 66 - HB3 GLN 26 lone 1 71 - 2 - HB2 SER 65 - HB3 GLN 26 lone 1 70 - 2 - HB2 SER 65 - HB2 GLN 26 lone 1 70 - 2 - HA GLN 47 - HB3 GLN 26 lone 1 51 - 2 - HA GLN 47 - HB2 GLN 26 lone 1 51 - 2 - HD2 PRO 32 - HB2 GLN 26 lone 1 44 - 2 - HD2 PRO 32 - HB3 GLN 26 lone 1 44 - 2 - Peak 3829 from cnoeabs.peaks (7.56, 3.94, 59.15 ppm; 5.18 A): 2 out of 2 assignments used, quality = 0.55: * H TYR 57 + HA GLN 53 OK 50 100 - 50 - 4.6/3826=20, 4.6/1057=18...(5) H GLU 18 + HA GLN 53 OK 11 96 - 11 - ~3697=2, 32/2.9=2, 906/1057=1 Peak 3831 from cnoeabs.peaks (7.56, 4.36, 55.11 ppm; 4.52 A): 3 out of 6 assignments used, quality = 0.69: * H TYR 57 + HA ASN 54 OK 53 100 - 54 - 4.0/3832=16, 4.0/3834=15...(6) H TYR 57 + HA LEU 68 OK 27 88 - 30 - 4.0/3832=8, 1062=8...(5) H GLU 18 + HA ASN 54 OK 10 96 - 11 - 1062=2, ~3692=1...(4) H TYR 57 - HA LEU 64 lone 6 60 - 10 - 1062=2, 4.0/3835=2...(5) H GLU 18 - HA LEU 68 lone 5 81 - 6 - 1062=1 H GLU 18 - HA LEU 64 lone 3 53 - 5 - Peak 3832 from cnoeabs.peaks (3.09, 4.36, 55.11 ppm; 4.05 A): 2 out of 9 assignments used, quality = 0.70: * HB2 TYR 57 + HA ASN 54 OK 58 100 - 59 - 1.8/3834=20, 3833=17...(6) HB2 TYR 57 + HA LEU 68 OK 28 88 - 31 - 1.8/3834=10, 3833=9...(5) HB2 TYR 57 - HA LEU 64 lone 6 60 - 9 - 3833=3, 1.8/3835=2...(4) HB3 PHE 23 - HA LEU 68 lone 6 76 - 7 - 1.8/3834=2, 4.6/967=1 HB3 PHE 23 - HA ASN 54 lone 4 92 - 4 - 1.8/3834=1, 4.6/967=1 HB3 HIS 10 - HA ASN 54 lone 1 96 - 1 - HB3 HIS 10 - HA LEU 68 lone 1 81 - 1 - HB3 PHE 23 - HA LEU 64 lone 1 50 - 2 - HB3 HIS 10 - HA LEU 64 lone 1 53 - 1 - Peak 3833 from cnoeabs.peaks (4.36, 3.09, 37.92 ppm; 4.32 A): 3 out of 10 assignments used, quality = 0.84: * HA ASN 54 + HB2 TYR 57 OK 66 100 - 67 - 3832=27, 3834/1.8=22...(6) HA LEU 68 + HB2 TYR 57 OK 36 99 - 37 - 3832=13, 3834/1.8=11...(5) HA LYS 22 + HB2 TYR 57 OK 26 100 - 26 - 4709/2.5=9, ~4715=7...(5) HA LEU 64 - HB2 TYR 57 poor 9 85 - 11 - 3832=3, 3835/1.8=3...(4) HA LEU 41 - HB2 TYR 57 lone 7 92 - 7 - 3835/1.8=2, 4709/2.5=2, ~4851=1 HA ASN 40 - HB2 TYR 57 lone 3 89 - 3 - HA HIS 13 - HB2 TYR 57 lone 3 83 - 3 - HB2 SER 12 - HB2 TYR 57 lone 2 85 - 3 - HA PRO 32 - HB2 TYR 57 lone 2 68 - 3 - HA LYS 49 - HB2 TYR 57 lone 2 65 - 2 - Peak 3834 from cnoeabs.peaks (3.17, 4.36, 55.11 ppm; 3.88 A): 2 out of 18 assignments used, quality = 0.68: * HB3 TYR 57 + HA ASN 54 OK 56 100 - 57 - 1.8/3832=19, 3835=17...(6) HB3 TYR 57 + HA LEU 68 OK 26 88 - 30 - 1.8/3832=9, 3835=9...(5) HB2 PHE 23 - HA LEU 68 lone 6 81 - 7 - 1.8/3832=2, 4.6/967=1 HB3 TYR 57 - HA LEU 64 lone 5 60 - 9 - 3835=2, 1.8/3832=2...(4) HB2 PHE 23 - HA ASN 54 lone 4 96 - 4 - 1.8/3832=1, 4.6/967=1 HB3 HIS 36 - HA LEU 68 lone 1 63 - 2 - HB2 HIS 36 - HA LEU 68 lone 1 63 - 2 - HB2 HIS 36 - HA ASN 54 lone 1 78 - 2 - HB3 HIS 36 - HA ASN 54 lone 1 78 - 2 - HD3 ARG 61 - HA ASN 54 lone 1 71 - 1 - HD2 ARG 61 - HA ASN 54 lone 1 71 - 1 - HB2 PHE 23 - HA LEU 64 lone 1 53 - 2 - HD2 ARG 61 - HA LEU 68 lone 1 56 - 1 - HD3 ARG 61 - HA LEU 68 lone 1 56 - 1 - HB2 HIS 36 - HA LEU 64 lone 1 40 - 1 - HB3 HIS 36 - HA LEU 64 lone 1 40 - 1 - HD2 ARG 61 - HA LEU 64 lone 0 35 - 1 - HD3 ARG 61 - HA LEU 64 lone 0 35 - 1 - Peak 3835 from cnoeabs.peaks (4.36, 3.17, 37.92 ppm; 4.17 A): 3 out of 10 assignments used, quality = 0.82: * HA ASN 54 + HB3 TYR 57 OK 64 100 - 65 - 3834=25, 3832/1.8=22...(6) HA LEU 68 + HB3 TYR 57 OK 34 99 - 35 - 3834=12, 3832/1.8=11...(5) HA LYS 22 + HB3 TYR 57 OK 24 100 - 24 - 4709/2.5=9, ~4715=7...(5) HA LEU 64 - HB3 TYR 57 lone 9 85 - 10 - 3834=3, 3832/1.8=2...(4) HA LEU 41 - HB3 TYR 57 lone 7 92 - 7 - 3833/1.8=2, 4709/2.5=2 HA ASN 40 - HB3 TYR 57 lone 3 89 - 3 - HA HIS 13 - HB3 TYR 57 lone 3 83 - 3 - HB2 SER 12 - HB3 TYR 57 lone 2 85 - 3 - HA PRO 32 - HB3 TYR 57 lone 2 68 - 3 - HA LYS 49 - HB3 TYR 57 lone 2 65 - 2 - Peak 3836 from cnoeabs.peaks (7.68, 4.36, 55.11 ppm; 5.06 A): 3 out of 12 assignments used, quality = 0.67: * H LYS 58 + HA ASN 54 OK 50 100 - 51 - 4.7/3832=17, 4.7/3834=16...(4) H LYS 58 + HA LEU 68 OK 25 88 - 28 - 4.7/3832=8, 4.7/3834=8...(4) HE22 GLN 47 + HA LEU 68 OK 13 81 - 16 - 4559/3.9=7, 4559/3.9=7, ~4555=1 H VAL 48 - HA ASN 54 lone 6 100 - 6 - 219/3.6=2, ~3789=2 H LYS 58 - HA LEU 64 lone 6 60 - 9 - 4.7/3835=2, 4.7/3833=2...(4) H LYS 39 - HA ASN 54 lone 5 100 - 5 - 999/3.6=2 HE22 GLN 47 - HA ASN 54 lone 3 96 - 4 - ~761=1 HE22 GLN 47 - HA LEU 64 lone 3 53 - 6 - 4559/3.9=3, ~4555=1 H VAL 48 - HA LEU 68 lone 2 88 - 3 - H LYS 39 - HA LEU 68 lone 2 87 - 3 - H VAL 48 - HA LEU 64 lone 2 59 - 3 - H LYS 39 - HA LEU 64 lone 1 58 - 2 - Peak 3838 from cnoeabs.peaks (7.68, 3.43, 56.09 ppm; 5.19 A): 4 out of 4 assignments used, quality = 0.91: * H LYS 58 + HA ARG 55 OK 84 100 - 84 - 1066=50, 4.0/3840=29...(6) H VAL 48 + HA ARG 55 OK 22 100 - 22 - 1059/3.6=6, ~4580=4...(6) HE22 GLN 47 + HA ARG 55 OK 17 96 - 17 - 3.4/4759=5, 4.6/3839=4...(6) H LYS 39 + HA ARG 55 OK 13 100 - 13 - 1059/3.6=5, 999/3.0=2 Peak 3839 from cnoeabs.peaks (1.80, 3.43, 56.09 ppm; 4.83 A): 2 out of 8 assignments used, quality = 0.82: * HB2 LYS 58 + HA ARG 55 OK 79 100 - 79 - 3840=41, 1.8/3842=33...(5) HB3 GLN 47 + HA ARG 55 OK 15 73 - 20 - 3.0/4759=5, 4.7/3838=4...(7) HD2 LYS 22 - HA ARG 55 lone 5 89 - 6 - 1.8/2688=2, 3.0/3841=1 HB2 ARG 61 - HA ARG 55 lone 4 98 - 4 - 1.8/3841=2 HB2 PRO 32 - HA ARG 55 lone 3 99 - 3 - 2.3/2688=1 HB3 LYS 60 - HA ARG 55 lone 2 73 - 2 - HB2 LYS 62 - HA ARG 55 lone 1 68 - 2 - HB3 LYS 62 - HA ARG 55 lone 1 65 - 2 - Peak 3840 from cnoeabs.peaks (3.43, 1.80, 32.42 ppm; 5.16 A): 1 out of 1 assignment used, quality = 0.81: * HA ARG 55 + HB2 LYS 58 OK 81 100 - 81 - 3842/1.8=38, 3839=36...(5) Peak 3841 from cnoeabs.peaks (1.73, 3.43, 56.09 ppm; 4.46 A): 2 out of 8 assignments used, quality = 0.74: * HB3 LYS 58 + HA ARG 55 OK 71 100 - 71 - 1.8/3840=30, 3842=28...(5) HB3 LEU 37 + HA ARG 55 OK 11 100 - 11 - 1951/3.0=3, ~1965=2...(5) HB2 ARG 56 - HA ARG 55 lone 4 97 - 5 - 787/1066=3 HG2 LYS 22 - HA ARG 55 lone 4 89 - 4 - 3.0/3839=1, 3.0/2688=1 HB3 ARG 61 - HA ARG 55 lone 3 100 - 3 - 1.8/3839=1 HD2 LYS 42 - HA ARG 55 lone 2 97 - 2 - HD2 LYS 49 - HA ARG 55 lone 2 63 - 3 - ~4586=1 HD3 LYS 49 - HA ARG 55 lone 2 60 - 3 - ~4586=1 Peak 3842 from cnoeabs.peaks (3.43, 1.73, 32.42 ppm; 5.42 A): 1 out of 1 assignment used, quality = 0.84: * HA ARG 55 + HB3 LYS 58 OK 84 100 - 84 - 3840/1.8=43, 3841=36...(5) Peak 3843 from cnoeabs.peaks (7.68, 4.08, 59.51 ppm; 3.84 A): 3 out of 8 assignments used, quality = 0.57: * H LYS 58 + HA ARG 56 OK 44 100 - 45 - 295/3.6=22, 1065/3.0=13...(6) H LYS 39 + HA ARG 56 OK 13 100 - 13 - 1059/3.0=3, 907/3.6=2...(4) H LYS 39 + HA ARG 21 OK 12 92 - 13 - 889/3.6=3, 3.6/4411=2, 4.7/166=2 H VAL 48 - HA ARG 56 lone 10 100 - 9 - 1059/3.0=4, 3.6/3714=2 H VAL 48 - HA ARG 21 lone 9 93 - 10 - 219/3.6=2, 3.6/3714=2...(4) HE22 GLN 47 - HA ARG 21 lone 8 86 - 9 - 4560/3.0=3, 4560/3.0=3, ~4557=1 HE22 GLN 47 - HA ARG 56 lone 5 96 - 5 - 1059/3.0=2, 5.8/3714=1 H LYS 58 - HA ARG 21 lone 2 93 - 2 - Peak 4002 from cnoeabs.peaks (1.08, 3.81, 65.62 ppm; 4.00 A): 1 out of 1 assignment used, quality = 0.89: HG12 ILE 17 + HA THR 14 OK 89 100 - 89 - 4077=29, 2.1/4004=27...(12) Peak 4003 from cnoeabs.peaks (0.80, 3.81, 65.62 ppm; 4.39 A): 1 out of 2 assignments used, quality = 0.91: QG2 ILE 17 + HA THR 14 OK 91 97 - 94 - 3.2/4002=33, 2.1/3667=31...(12) QD1 ILE 50 - HA THR 14 lone 4 100 - 4 - Peak 4004 from cnoeabs.peaks (0.69, 3.81, 65.62 ppm; 3.73 A): 2 out of 3 assignments used, quality = 0.89: QD1 ILE 17 + HA THR 14 OK 85 99 - 85 - 2.1/4002=31, 4081=29...(11) QD1 LEU 41 + HA THR 14 OK 27 71 - 39 - ~4452=8, 2.1/4446=8...(10) HB2 LEU 19 - HA THR 14 lone 8 92 - 9 - 4.0/3666=3, 525/3666=2...(4) Peak 4005 from cnoeabs.peaks (1.36, 3.81, 65.62 ppm; 4.41 A): 1 out of 7 assignments used, quality = 0.79: HG13 ILE 17 + HA THR 14 OK 79 85 - 93 - 1.8/4002=43, 2.1/4004=31...(12) HG2 ARG 34 - HA THR 14 lone 7 92 - 7 - 3.0/3667=2, 3.0/1904=1 QB ALA 38 - HA THR 14 lone 4 96 - 4 - HG3 LYS 42 - HA THR 14 lone 3 100 - 3 - HG2 LYS 42 - HA THR 14 lone 3 100 - 3 - HG2 LYS 58 - HA THR 14 lone 2 100 - 2 - HD3 LYS 27 - HA THR 14 lone 1 76 - 2 - Peak 4006 from cnoeabs.peaks (2.51, 4.04, 68.52 ppm; 4.61 A): 2 out of 6 assignments used, quality = 0.58: HB2 GLN 15 + HB THR 14 OK 42 100 - 42 - 4.0/3358=26, 4001/3.9=6...(5) HG3 GLN 15 + HB THR 14 OK 28 76 - 37 - 5.0/3358=21, ~4009=8...(4) HG3 MET 11 - HB THR 14 lone 6 73 - 8 - 508/4.2=3, 4001/3.9=2, ~4010=2 HB2 GLN 15 - HB THR 46 lone 1 51 - 2 - HG3 GLN 15 - HB THR 46 lone 1 33 - 2 - HG3 MET 11 - HB THR 46 lone 0 31 - 2 - Peak 4007 from cnoeabs.peaks (0.80, 4.04, 68.52 ppm; 5.19 A): 1 out of 4 assignments used, quality = 0.95: QG2 ILE 17 + HB THR 14 OK 95 100 - 96 - 4003/3.0=39, 4071/2.1=34...(13) QD1 ILE 50 - HB THR 46 OK 27 51 - 54 - 4538/2.1=39, ~4537=10...(4) QD1 ILE 50 - HB THR 14 lone 4 100 - 4 - 4003/3.0=2 QG2 ILE 17 - HB THR 46 lone 3 50 - 7 - 4538/2.1=3, ~4535=1 Peak 4009 from cnoeabs.peaks (2.28, 1.21, 21.82 ppm; 4.23 A): 2 out of 5 assignments used, quality = 0.81: HG2 GLU 18 + QG2 THR 14 OK 73 100 - 73 - 4090=35, 1.8/4010=29...(11) HG2 GLN 15 + QG2 THR 14 OK 28 81 - 35 - 1168/4.0=14, ~4006=9...(7) HG2 GLN 26 - QG2 THR 14 lone 4 97 - 4 - 4782/4.0=2 HG3 GLN 26 - QG2 THR 14 lone 4 96 - 4 - 4782/4.0=2 HG2 GLU 67 - QG2 THR 14 lone 2 100 - 2 - Peak 4010 from cnoeabs.peaks (2.40, 1.21, 21.82 ppm; 4.20 A): 1 out of 8 assignments used, quality = 0.64: HG3 GLU 18 + QG2 THR 14 OK 64 97 - 66 - 1.8/4090=29, 4092=20...(11) HG3 GLU 20 - QG2 THR 14 lone 6 68 - 8 - 4073/4071=3, 4069/4070=2, 4092=2 HG3 GLN 47 - QG2 THR 14 lone 5 99 - 5 - 4092=1 HG2 MET 11 - QG2 THR 14 lone 4 97 - 5 - ~4006=2 HG2 GLU 45 - QG2 THR 14 lone 2 100 - 2 - HD2 ARG 55 - QG2 THR 14 lone 2 97 - 2 - HB3 LYS 22 - QG2 THR 14 lone 2 89 - 2 - HG3 GLN 53 - QG2 THR 14 lone 1 60 - 1 - Peak 4011 from cnoeabs.peaks (0.71, 1.21, 21.82 ppm; 3.89 A): 2 out of 4 assignments used, quality = 0.88: QD1 ILE 17 + QG2 THR 14 OK 79 96 - 82 - 4079=27, 3.3/4071=17...(14) QD1 LEU 41 + QG2 THR 14 OK 45 99 - 45 - 2.1/4452=19, 4440/4.0=6...(10) HB2 LEU 19 - QG2 THR 14 lone 5 100 - 5 - 4004/3.2=1, 1224/4071=1 HG LEU 29 - QG2 THR 14 lone 3 60 - 5 - Peak 4013 from cnoeabs.peaks (9.37, 2.50, 28.07 ppm; 4.53 A): 1 out of 1 assignment used, quality = 0.77: H SER 12 + HB2 GLN 15 OK 77 93 - 83 - 4014/1.8=37, 4015/3.0=28...(10) Peak 4014 from cnoeabs.peaks (9.37, 1.63, 28.07 ppm; 4.61 A): 1 out of 1 assignment used, quality = 0.84: H SER 12 + HB3 GLN 15 OK 84 100 - 84 - 4013/1.8=38, 4015/3.0=30...(9) Peak 4015 from cnoeabs.peaks (9.37, 2.48, 35.21 ppm; 4.89 A): 1 out of 1 assignment used, quality = 0.88: H SER 12 + HG3 GLN 15 OK 88 100 - 88 - 4014/3.0=36, 4013/3.0=35...(11) Peak 4019 from cnoeabs.peaks (0.74, 3.79, 59.35 ppm; 3.51 A): 3 out of 3 assignments used, quality = 0.81: QD2 LEU 41 + HA GLN 15 OK 55 98 - 57 - 4446=19, 2.1/4454=9...(13) QD1 LEU 41 + HA GLN 15 OK 38 81 - 47 - 2.1/4446=15, 4025/3.8=8...(12) HG LEU 29 + HA GLN 15 OK 31 100 - 31 - 2.1/4240=5, 4239=4...(11) Peak 4020 from cnoeabs.peaks (1.02, 2.50, 28.07 ppm; 5.13 A): 2 out of 3 assignments used, quality = 0.80: QG2 VAL 16 + HB2 GLN 15 OK 59 100 - 59 - 1194/4.7=36, 4016/4.0=15...(6) QG1 VAL 16 + HB2 GLN 15 OK 51 92 - 56 - 4.0/3361=33, 4016/4.0=15...(6) QG1 VAL 48 - HB2 GLN 15 lone 7 81 - 8 - 4853/2.9=2, 4016/4.0=2 Peak 4021 from cnoeabs.peaks (0.65, 2.50, 28.07 ppm; 5.04 A): 2 out of 3 assignments used, quality = 0.87: QD1 LEU 43 + HB2 GLN 15 OK 79 100 - 80 - 4023/1.8=26, 4040/4.6=21...(8) HB2 ARG 55 + HB2 GLN 15 OK 37 100 - 37 - 4023/1.8=12, 4030/3.0=9...(6) HG2 LYS 27 - HB2 GLN 15 lone 5 87 - 6 - 4030/3.0=1 Peak 4022 from cnoeabs.peaks (1.98, 2.50, 28.07 ppm; 4.53 A): 5 out of 10 assignments used, quality = 0.94: HB2 MET 11 + HB2 GLN 15 OK 70 96 - 74 - 4.3/4013=25, 4729/4.7=19...(16) HB3 GLU 18 + HB2 GLN 15 OK 48 97 - 50 - 3674/2.9=9, ~3674=7...(12) HB2 GLU 18 + HB2 GLN 15 OK 48 97 - 50 - 3674/2.9=9, ~3674=7...(12) HD3 ARG 55 + HB2 GLN 15 OK 12 95 - 13 - 3.7/4021=8, 4056/4.7=1 HG2 PRO 32 + HB2 GLN 15 OK 11 100 - 11 - 3674/2.9=2, 4017/4.0=2...(5) HB3 ARG 21 - HB2 GLN 15 lone 8 92 - 9 - 4056/4.7=2, 3672/2.9=1 HB2 ARG 21 - HB2 GLN 15 lone 7 87 - 8 - 4056/4.7=2 HB3 GLN 63 - HB2 GLN 15 lone 5 96 - 5 - 3674/2.9=1 HD3 LYS 22 - HB2 GLN 15 lone 5 73 - 7 - ~4855=2 HB3 GLU 67 - HB2 GLN 15 lone 2 71 - 2 - Peak 4023 from cnoeabs.peaks (0.66, 1.63, 28.07 ppm; 4.75 A): 2 out of 2 assignments used, quality = 0.81: QD1 LEU 43 + HB3 GLN 15 OK 71 99 - 73 - 4026/3.0=25, 4021/1.8=21...(8) HB2 ARG 55 + HB3 GLN 15 OK 32 95 - 34 - 4021/1.8=10, 4026/3.0=9...(5) Peak 4024 from cnoeabs.peaks (1.44, 2.30, 35.21 ppm; 4.17 A): 2 out of 10 assignments used, quality = 0.90: HB3 LEU 41 + HG2 GLN 15 OK 87 97 - 89 - 4435/3.5=23, 4444=23...(19) HB3 LEU 29 + HG2 GLN 15 OK 27 73 - 36 - 4028/1.8=7, 3.0/4025=6...(11) HB2 LYS 27 - HG2 GLN 15 lone 6 85 - 6 - 4.1/1168=2, 4028/1.8=1 HG2 LYS 62 - HG2 GLN 15 lone 3 100 - 3 - HG3 LYS 62 - HG2 GLN 15 lone 3 100 - 3 - HG3 LYS 60 - HG2 GLN 15 lone 3 97 - 3 - HG2 LYS 60 - HG2 GLN 15 lone 3 97 - 3 - HG3 ARG 56 - HG2 GLN 15 lone 2 90 - 2 - HG3 LYS 58 - HG2 GLN 15 lone 2 89 - 2 - HG2 LYS 39 - HG2 GLN 15 lone 1 99 - 2 - Peak 4025 from cnoeabs.peaks (0.73, 2.30, 35.21 ppm; 3.77 A): 3 out of 4 assignments used, quality = 0.96: QD1 LEU 41 + HG2 GLN 15 OK 76 92 - 82 - 3.1/4024=15, ~4436=11...(22) QD2 LEU 41 + HG2 GLN 15 OK 74 92 - 81 - 3.1/4024=15, 4436/3.5=15...(20) HG LEU 29 + HG2 GLN 15 OK 32 99 - 32 - 4019/3.8=6, 4029/1.8=5...(10) HB2 LEU 19 - HG2 GLN 15 lone 1 71 - 1 - Peak 4026 from cnoeabs.peaks (0.67, 2.30, 35.21 ppm; 4.64 A): 2 out of 2 assignments used, quality = 0.94: QD1 LEU 43 + HG2 GLN 15 OK 91 96 - 95 - ~4497=23, 4036/3.5=22...(16) HB2 ARG 55 + HG2 GLN 15 OK 32 89 - 36 - 4023/3.0=10, 4030/1.8=9...(6) Peak 4027 from cnoeabs.peaks (0.72, 1.63, 28.07 ppm; 4.87 A): 3 out of 5 assignments used, quality = 0.96: QD1 LEU 41 + HB3 GLN 15 OK 88 100 - 88 - 4025/3.0=15, 4454/2.9=15...(18) QD2 LEU 41 + HB3 GLN 15 OK 52 63 - 83 - 4025/3.0=15, 4019/2.9=14...(17) HG LEU 29 + HB3 GLN 15 OK 35 83 - 42 - 4019/2.9=8, 4025/3.0=6...(13) QD1 ILE 17 - HB3 GLN 15 OK 32 81 - 40 - 4083/4.7=16, 4081/2.9=8...(7) HB2 LEU 19 - HB3 GLN 15 lone 2 96 - 2 - Peak 4028 from cnoeabs.peaks (1.44, 2.48, 35.21 ppm; 4.38 A): 2 out of 10 assignments used, quality = 0.92: HB3 LEU 41 + HG3 GLN 15 OK 90 97 - 92 - 4443=26, 4024/1.8=26...(22) HB3 LEU 29 + HG3 GLN 15 OK 26 73 - 36 - 4024/1.8=8, 3.0/4029=7...(10) HB2 LYS 27 - HG3 GLN 15 lone 5 85 - 6 - 4024/1.8=2, 4.1/1176=1 HG2 LYS 62 - HG3 GLN 15 lone 4 100 - 4 - HG3 LYS 62 - HG3 GLN 15 lone 4 100 - 4 - HG3 LYS 60 - HG3 GLN 15 lone 3 97 - 4 - HG2 LYS 60 - HG3 GLN 15 lone 3 97 - 4 - HG3 LYS 58 - HG3 GLN 15 lone 2 89 - 3 - HG3 ARG 56 - HG3 GLN 15 lone 2 90 - 3 - HG2 LYS 39 - HG3 GLN 15 lone 2 99 - 2 - Peak 4029 from cnoeabs.peaks (0.75, 2.48, 35.21 ppm; 4.50 A): 2 out of 3 assignments used, quality = 0.97: QD2 LEU 41 + HG3 GLN 15 OK 93 100 - 93 - 4436/3.5=25, 4448=21...(22) QD1 LEU 41 + HG3 GLN 15 OK 58 63 - 92 - 3.1/4028=20, 4025/1.8=17...(22) HG LEU 29 - HG3 GLN 15 OK 42 99 - 42 - 4019/3.8=8, 4035/3.5=8...(11) Peak 4030 from cnoeabs.peaks (0.66, 2.48, 35.21 ppm; 5.22 A): 1 out of 3 assignments used, quality = 0.98: QD1 LEU 43 + HG3 GLN 15 OK 98 100 - 99 - 4026/1.8=33, ~4497=29...(18) HB2 ARG 55 - HG3 GLN 15 OK 44 98 - 45 - 4023/3.0=12, 4026/1.8=12...(7) HG2 LYS 27 - HG3 GLN 15 lone 5 65 - 7 - 3.0/4028=2, 4021/3.0=1...(4) Peak 4042 from cnoeabs.peaks (7.54, 3.23, 67.30 ppm; 5.19 A): 3 out of 4 assignments used, quality = 0.85: H GLU 18 + HA VAL 16 OK 71 93 - 76 - 869/3.6=25, 932/3.0=24...(11) QE PHE 52 + HA VAL 16 OK 39 98 - 39 - 4731/3.2=14, ~4704=9...(9) H TYR 57 + HA VAL 16 OK 18 68 - 26 - 869/3.6=8, 932/3.0=6...(7) HE21 GLN 63 - HA VAL 16 lone 10 99 - 9 - 932/3.0=3, 869/3.6=2, 3671/4.8=1 Peak 4043 from cnoeabs.peaks (7.24, 1.03, 21.88 ppm; 4.20 A): 1 out of 1 assignment used, quality = 0.87: HZ2 TRP 51 + QG1 VAL 16 OK 87 99 - 88 - 4690=31, 2.8/4048=30...(16) Peak 4044 from cnoeabs.peaks (7.14, 1.03, 21.88 ppm; 5.03 A): 2 out of 4 assignments used, quality = 0.92: HD1 TRP 51 + QG1 VAL 16 OK 90 100 - 90 - 2.6/4048=42, 5.0/4043=27...(12) HD2 HIS 13 + QG1 VAL 16 OK 22 81 - 27 - 4.6/4744=14, 4046/2.1=7...(4) QD TYR 57 - QG1 VAL 16 lone 7 100 - 7 - 4046/2.1=2 QD TYR 28 - QG1 VAL 16 lone 4 92 - 4 - 4046/2.1=1 Peak 4045 from cnoeabs.peaks (7.26, 1.01, 23.28 ppm; 4.94 A): 1 out of 4 assignments used, quality = 0.89: HZ2 TRP 51 + QG2 VAL 16 OK 89 96 - 93 - 2.8/4047=37, 4043/2.1=33...(16) HZ2 TRP 51 - QG1 VAL 48 poor 6 45 - 13 - 4694/4108=2, 2.8/4047=2...(6) HD21 ASN 40 - QG2 VAL 16 lone 4 63 - 6 - 4.4/4050=3, 379/4.3=2 HD21 ASN 40 - QG1 VAL 48 poor 3 26 - 10 - 4433/2.1=7, 4.4/4050=2 Peak 4046 from cnoeabs.peaks (7.14, 1.01, 23.28 ppm; 4.74 A): 2 out of 8 assignments used, quality = 0.91: HD1 TRP 51 + QG2 VAL 16 OK 88 100 - 88 - 2.6/4047=37, ~4048=26...(11) HD2 HIS 13 + QG2 VAL 16 OK 23 90 - 26 - 4.6/4744=16, 4044/2.1=6...(4) QD TYR 57 - QG2 VAL 16 lone 7 99 - 7 - 4044/2.1=2 HD1 TRP 51 - QG1 VAL 48 poor 7 50 - 14 - 4719/4825=5, 4678=3...(5) QD TYR 28 - QG2 VAL 16 lone 4 97 - 4 - 4044/2.1=1 QD TYR 57 - QG1 VAL 48 lone 2 48 - 3 - HD2 HIS 13 - QG1 VAL 48 lone 1 41 - 3 - QD TYR 28 - QG1 VAL 48 lone 1 47 - 2 - Peak 4047 from cnoeabs.peaks (9.95, 1.01, 23.28 ppm; 4.41 A): 1 out of 2 assignments used, quality = 0.93: HE1 TRP 51 + QG2 VAL 16 OK 93 100 - 93 - 4048/2.1=36, 2.8/4045=24...(14) HE1 TRP 51 - QG1 VAL 48 lone 4 51 - 8 - 2.6/4678=2, 2.8/4045=2 Peak 4048 from cnoeabs.peaks (9.96, 1.03, 21.88 ppm; 4.33 A): 1 out of 1 assignment used, quality = 0.89: HE1 TRP 51 + QG1 VAL 16 OK 89 97 - 92 - 2.8/4043=33, 4047/2.1=33...(15) Peak 4050 from cnoeabs.peaks (4.37, 1.01, 23.28 ppm; 4.00 A): 7 out of 16 assignments used, quality = 0.88: HA HIS 13 + QG2 VAL 16 OK 73 100 - 73 - 3662/2.1=34, 4744=25...(7) HA LYS 22 + QG2 VAL 16 OK 15 81 - 19 - 3663/2.1=3, 4052/2.1=3...(10) HB2 SER 12 + QG2 VAL 16 OK 14 100 - 14 - 930/4.0=3, 3663/2.1=3...(6) HA ASN 40 + QG2 VAL 16 OK 14 100 - 14 - 3663/2.1=3, 4052/2.1=3...(6) HA PRO 32 + QG2 VAL 16 OK 12 98 - 12 - 3663/2.1=3, 4052/2.1=2...(4) HA LYS 22 + QG1 VAL 48 OK 11 35 - 31 - 4149/2.1=5, ~4147=5...(10) HA ASN 40 + QG1 VAL 48 OK 10 51 - 20 - ~4420=7, ~4429=6...(4) HA LEU 68 - QG2 VAL 16 lone 8 98 - 8 - 3663/2.1=2, 930/4.0=2 HA ASN 54 - QG2 VAL 16 lone 7 89 - 8 - 3663/2.1=2, 4052/2.1=1 HA LEU 64 - QG2 VAL 16 lone 6 100 - 6 - 3663/2.1=2, 4052/2.1=1 HA HIS 13 - QG1 VAL 48 lone 2 51 - 3 - HA ASN 54 - QG1 VAL 48 lone 1 40 - 3 - HA PRO 32 - QG1 VAL 48 lone 1 48 - 3 - 4294/4329=1 HB2 SER 12 - QG1 VAL 48 lone 1 51 - 2 - HA LEU 68 - QG1 VAL 48 lone 1 48 - 2 - HA LEU 64 - QG1 VAL 48 lone 1 51 - 1 - Peak 4051 from cnoeabs.peaks (3.67, 1.03, 21.88 ppm; 4.37 A): 1 out of 1 assignment used, quality = 0.79: HA ILE 17 + QG1 VAL 16 OK 79 97 - 82 - 4763/2.1=25, 3.0/31=21...(16) Peak 4052 from cnoeabs.peaks (4.38, 1.03, 21.88 ppm; 4.69 A): 5 out of 8 assignments used, quality = 0.91: HA HIS 13 + QG1 VAL 16 OK 80 100 - 80 - 3662/2.1=39, 3661/4.0=29...(7) HA LYS 22 + QG1 VAL 16 OK 19 71 - 27 - 2.9/3368=4, 4050/2.1=4...(10) HA ASN 40 + QG1 VAL 16 OK 18 100 - 18 - 3663/2.1=4, 4050/2.1=4...(6) HB2 SER 12 + QG1 VAL 16 OK 17 100 - 18 - 930/4.0=5, 3663/2.1=4...(6) HA PRO 32 + QG1 VAL 16 OK 16 100 - 16 - 3663/2.1=4, 4050/2.1=3...(6) HA LEU 68 - QG1 VAL 16 poor 10 95 - 10 - 3663/2.1=2, 930/4.0=2...(5) HA ASN 54 - QG1 VAL 16 poor 9 81 - 11 - 3.0/4059=2, 3663/2.1=2...(5) HA LEU 64 - QG1 VAL 16 lone 9 100 - 8 - 3663/2.1=2, 4050/2.1=2 Peak 4057 from cnoeabs.peaks (1.23, 3.23, 67.30 ppm; 5.07 A): 3 out of 6 assignments used, quality = 0.94: HG LEU 19 + HA VAL 16 OK 92 99 - 93 - 3.0/3681=32, 2.1/4769=31...(15) QG2 THR 14 + HA VAL 16 OK 14 71 - 20 - 4.0/12=8, 1141/4.8=4...(4) HB2 LEU 29 + HA VAL 16 OK 11 97 - 11 - 4237/4.8=5, ~4581=3, ~4230=2 HB2 LEU 43 - HA VAL 16 lone 5 99 - 5 - ~4494=1 HD2 LYS 27 - HA VAL 16 lone 3 100 - 3 - QG2 THR 46 - HA VAL 16 lone 2 87 - 2 - Peak 4058 from cnoeabs.peaks (2.41, 1.03, 21.88 ppm; 3.90 A): 4 out of 7 assignments used, quality = 0.84: HG3 GLU 20 + QG1 VAL 16 OK 53 96 - 56 - ~4124=13, 4123/2.1=13...(12) HG2 MET 11 + QG1 VAL 16 OK 43 71 - 60 - 3.0/4712=10, 3.0/4715=10...(10) HD2 ARG 55 + QG1 VAL 16 OK 29 100 - 29 - 1.8/4060=9, 3.0/4768=6...(6) HG3 GLU 18 + QG1 VAL 16 OK 15 100 - 16 - 4764=4, 4764/2.1=3...(6) HG3 GLN 47 - QG1 VAL 16 lone 5 99 - 5 - 4764=1 HG2 GLU 45 - QG1 VAL 16 lone 4 95 - 4 - HG2 GLN 53 - QG1 VAL 16 lone 2 65 - 3 - Peak 4059 from cnoeabs.peaks (2.45, 1.03, 21.88 ppm; 3.90 A): 2 out of 4 assignments used, quality = 0.69: HG2 GLU 20 + QG1 VAL 16 OK 57 96 - 60 - 4124/2.1=17, 1.8/4764=10...(11) HG3 GLU 20 + QG1 VAL 16 OK 27 63 - 43 - ~4124=13, 5.0/4120=9...(10) HB2 ASN 54 - QG1 VAL 16 lone 5 73 - 6 - 4617/4048=1, 3.0/4052=1 HG2 GLN 53 - QG1 VAL 16 lone 4 95 - 4 - 2647/4.3=1 Peak 4060 from cnoeabs.peaks (1.96, 1.03, 21.88 ppm; 4.34 A): 4 out of 8 assignments used, quality = 0.79: HD3 ARG 55 + QG1 VAL 16 OK 43 95 - 45 - 4064/2.1=9, 1.8/4058=8...(11) HB2 ARG 21 + QG1 VAL 16 OK 32 99 - 33 - 4064/2.1=6, ~4064=5...(14) HB3 ARG 21 + QG1 VAL 16 OK 31 97 - 32 - 4064/2.1=6, ~4064=5...(14) HD3 LYS 22 + QG1 VAL 16 OK 22 100 - 22 - 4064/2.1=4, 1.8/4061=4...(9) HG2 PRO 32 - QG1 VAL 16 lone 6 76 - 8 - 3.8/4052=2, 4064/2.1=1 HB2 ARG 34 - QG1 VAL 16 lone 6 83 - 7 - 4064/2.1=1 HB3 GLU 67 - QG1 VAL 16 lone 5 100 - 5 - 4064/2.1=1 HB ILE 50 - QG1 VAL 16 lone 5 78 - 6 - 4615/4044=2, 4619/4048=2 Peak 4061 from cnoeabs.peaks (1.82, 1.03, 21.88 ppm; 4.78 A): 2 out of 9 assignments used, quality = 0.94: HB3 MET 11 + QG1 VAL 16 OK 77 97 - 80 - 4715/2.1=23, ~4712=18...(12) HB ILE 17 + QG1 VAL 16 OK 74 93 - 79 - 3.0/4051=36, 521/4.3=20...(11) HD2 LYS 22 - QG1 VAL 16 OK 23 100 - 23 - 1.8/4060=6, ~4064=4...(9) HB2 PRO 32 - QG1 VAL 16 poor 7 63 - 12 - 2.3/4052=3, ~3663=2...(4) HB3 GLN 47 - QG1 VAL 16 lone 6 100 - 6 - 3.0/4058=1 HB2 LYS 60 - QG1 VAL 16 lone 3 97 - 3 - HB2 LYS 62 - QG1 VAL 16 lone 3 100 - 3 - HB2 ARG 61 - QG1 VAL 16 lone 2 95 - 2 - HB2 LYS 58 - QG1 VAL 16 lone 2 78 - 2 - Peak 4063 from cnoeabs.peaks (0.69, 1.03, 21.88 ppm; 4.35 A): 2 out of 2 assignments used, quality = 0.89: HB2 LEU 19 + QG1 VAL 16 OK 71 83 - 86 - ~3681=17, ~4767=16...(21) QD1 ILE 17 + QG1 VAL 16 OK 63 97 - 65 - 4.2/4051=24, 4083/4.0=19...(10) Peak 4064 from cnoeabs.peaks (1.96, 1.01, 23.28 ppm; 3.58 A): 6 out of 16 assignments used, quality = 0.78: HD3 ARG 55 + QG2 VAL 16 OK 32 98 - 32 - 4060/2.1=7, 3.0/4766=4...(10) HB2 ARG 21 + QG2 VAL 16 OK 24 100 - 24 - 4060/2.1=5, ~4060=4...(10) HB3 ARG 21 + QG2 VAL 16 OK 23 99 - 24 - 4060/2.1=5, ~4060=4...(10) HD3 LYS 22 + QG1 VAL 48 OK 21 51 - 41 - 4158/2.1=6, ~4156=5...(14) HB2 ARG 34 + QG1 VAL 48 OK 17 31 - 54 - 3.0/4329=10, ~4576=7...(16) HD3 LYS 22 + QG2 VAL 16 OK 16 100 - 16 - 4060/2.1=4, 1.8/4065=2...(7) HD3 ARG 55 - QG1 VAL 48 lone 5 48 - 10 - 4837/4632=3, 4569/3.2=2, ~4580=1 HG2 PRO 32 - QG2 VAL 16 lone 5 85 - 5 - 3.8/4050=1, 4060/2.1=1 HB2 ARG 34 - QG2 VAL 16 lone 4 73 - 5 - 4060/2.1=1 HB3 GLU 67 - QG2 VAL 16 lone 4 100 - 3 - HB ILE 50 - QG2 VAL 16 lone 3 68 - 4 - 4619/4047=1, 4615/4046=1 HB2 ARG 21 - QG1 VAL 48 lone 3 50 - 5 - 4569/3.2=1 HB3 ARG 21 - QG1 VAL 48 lone 2 49 - 5 - 4569/3.2=1 HB ILE 50 - QG1 VAL 48 lone 1 28 - 5 - 4569/3.2=2 HB3 GLU 67 - QG1 VAL 48 lone 1 51 - 1 - HG2 PRO 32 - QG1 VAL 48 lone 1 37 - 2 - Peak 4065 from cnoeabs.peaks (1.83, 1.01, 23.28 ppm; 3.55 A): 7 out of 18 assignments used, quality = 0.92: HB3 MET 11 + QG2 VAL 16 OK 68 100 - 68 - 4715=23, 1.8/4712=18...(11) HB ILE 17 + QG2 VAL 16 OK 50 100 - 50 - 521/4.3=12, ~4051=12...(11) HD2 LYS 22 + QG1 VAL 48 OK 18 43 - 42 - 4156/2.1=6, 1.8/4064=5...(15) HB3 ARG 34 + QG1 VAL 48 OK 15 28 - 53 - 3.0/4329=10, ~4576=7...(16) HD2 LYS 22 + QG2 VAL 16 OK 13 93 - 14 - 1.8/4064=4, ~4060=3...(6) HB3 GLN 47 + QG1 VAL 48 OK 11 49 - 23 - 4.7/713=13, 4552/2.1=10 HG2 ARG 21 + QG2 VAL 16 OK 11 68 - 16 - 3.0/4064=4, 3.0/4064=4...(5) HB3 MET 11 - QG1 VAL 48 poor 6 51 - 11 - 4715=4, 1.8/4712=2...(5) HB3 GLN 47 - QG2 VAL 16 lone 4 99 - 4 - HB3 ARG 34 - QG2 VAL 16 lone 3 68 - 4 - HB ILE 17 - QG1 VAL 48 lone 3 50 - 5 - 3.0/4763=1 HB2 LYS 60 - QG2 VAL 16 lone 1 100 - 1 - HB2 LYS 62 - QG2 VAL 16 lone 1 100 - 1 - HG2 ARG 21 - QG1 VAL 48 lone 1 28 - 3 - HB2 ARG 61 - QG2 VAL 16 lone 1 78 - 1 - HB2 LYS 62 - QG1 VAL 48 lone 0 50 - 1 - HB2 LYS 60 - QG1 VAL 48 lone 0 51 - 1 - HB2 ARG 61 - QG1 VAL 48 lone 0 33 - 1 - Peak 4066 from cnoeabs.peaks (2.38, 1.01, 23.28 ppm; 4.86 A): 5 out of 18 assignments used, quality = 0.93: HG2 MET 11 + QG2 VAL 16 OK 81 99 - 82 - 4718=23, 1.8/4723=22...(9) HB3 LYS 22 + QG1 VAL 48 OK 32 51 - 62 - 3703/3.2=11, 4151/2.1=11...(15) HD2 ARG 55 + QG2 VAL 16 OK 25 65 - 39 - 1.8/4064=10, ~4060=9...(7) HB3 LYS 22 + QG2 VAL 16 OK 21 100 - 21 - 3.5/4064=4, 3.0/4050=3...(7) HG2 GLU 45 + QG1 VAL 48 OK 10 39 - 27 - 3.0/4521=7, 3.0/4521=7...(8) HG2 MET 11 - QG1 VAL 48 poor 9 49 - 17 - 1.8/4723=4, 4718=4...(5) HG3 GLN 47 - QG1 VAL 48 poor 9 32 - 27 - ~4552=12, 224/4.0=8...(6) HG3 GLU 18 - QG2 VAL 16 poor 7 65 - 11 - 4764/2.1=3, 4764=2...(4) HG3 GLN 53 - QG2 VAL 16 lone 5 96 - 5 - 2655/4.3=1, ~4059=1 HG2 GLU 45 - QG2 VAL 16 lone 5 87 - 5 - HG3 GLU 18 - QG1 VAL 48 poor 4 27 - 16 - ~4805=10, ~4770=2, 4764=2 HG3 GLN 47 - QG2 VAL 16 lone 4 76 - 5 - HD2 ARG 55 - QG1 VAL 48 poor 3 27 - 12 - ~4580=3, ~4569=3...(6) HG3 GLN 63 - QG2 VAL 16 lone 3 83 - 3 - ~4042=1 HG2 GLN 63 - QG2 VAL 16 lone 3 78 - 3 - ~4042=1 HG3 GLN 53 - QG1 VAL 48 lone 1 45 - 2 - HG3 GLN 63 - QG1 VAL 48 lone 1 36 - 2 - HG2 GLN 63 - QG1 VAL 48 lone 1 33 - 2 - Peak 4067 from cnoeabs.peaks (2.49, 1.01, 23.28 ppm; 4.17 A): 4 out of 10 assignments used, quality = 0.96: HG3 MET 11 + QG2 VAL 16 OK 76 99 - 77 - 4723=20, 3.0/4715=18...(11) HG3 GLN 15 + QG2 VAL 16 OK 47 99 - 47 - 3364/4.0=24, 3.0/4020=11...(7) HB2 GLN 15 + QG2 VAL 16 OK 46 95 - 49 - 4.7/1194=25, 4020=12...(6) HG2 GLU 20 + QG2 VAL 16 OK 39 63 - 63 - 1.8/4123=16, 4124=13...(14) HG3 MET 11 - QG1 VAL 48 poor 8 49 - 16 - 4732/4.0=4, 4723=4...(5) HB2 ASN 54 - QG2 VAL 16 lone 6 90 - 7 - 4617/4047=1, 3.0/4050=1 HG3 GLN 15 - QG1 VAL 48 lone 3 49 - 7 - 3.0/4020=1 HB2 GLN 15 - QG1 VAL 48 lone 2 44 - 5 - 4020=1, 4.0/4016=1 HG2 GLU 20 - QG1 VAL 48 lone 1 26 - 4 - 1.8/4123=1 HB2 ASN 54 - QG1 VAL 48 lone 1 41 - 1 - Peak 4068 from cnoeabs.peaks (2.41, 3.69, 64.32 ppm; 4.77 A): 2 out of 7 assignments used, quality = 0.93: HG3 GLU 20 + HA ILE 17 OK 82 90 - 91 - 1.8/4121=37, 3.0/3687=35...(14) HG3 GLU 18 + HA ILE 17 OK 58 100 - 58 - 1270/3.6=20, 4073/3.2=12...(13) HG2 GLU 45 - HA ILE 17 OK 20 98 - 20 - 3.0/3688=5, 3.0/3688=5...(7) HG3 GLN 47 - HA ILE 17 OK 13 100 - 13 - 4073/3.2=3, 4069/3.0=3 HB3 LYS 22 - HA ILE 17 OK 13 65 - 21 - 1.8/3688=4, ~1414=2...(10) HD2 ARG 55 - HA ILE 17 OK 12 100 - 12 - 4058/4051=3, 531/3.6=2...(6) HG2 MET 11 - HA ILE 17 poor 10 81 - 12 - 4058/4051=4, ~521=2...(4) Peak 4069 from cnoeabs.peaks (2.41, 1.84, 37.27 ppm; 4.98 A): 4 out of 7 assignments used, quality = 0.93: HG3 GLU 20 + HB ILE 17 OK 79 97 - 81 - ~4121=25, 4122/3.0=22...(12) HG3 GLU 18 + HB ILE 17 OK 54 99 - 55 - 4.9/3370=20, 4073/2.1=16...(8) HG3 GLN 47 + HB ILE 17 OK 16 97 - 16 - 4073/2.1=4, 4068/3.0=2...(5) HG2 GLU 45 + HB ILE 17 OK 15 92 - 16 - 4068/3.0=3, 4073/2.1=3...(5) HD2 ARG 55 - HB ILE 17 lone 10 99 - 9 - 4068/3.0=2, 4073/2.1=2 HG2 GLN 53 - HB ILE 17 lone 7 71 - 10 - ~3686=3, ~3687=2...(4) HG2 MET 11 - HB ILE 17 lone 6 65 - 9 - 4068/3.0=2, 4058/4061=1...(4) Peak 4070 from cnoeabs.peaks (1.21, 1.84, 37.27 ppm; 5.29 A): 1 out of 3 assignments used, quality = 0.95: QG2 THR 14 + HB ILE 17 OK 95 100 - 95 - 4079/3.2=35, 3.2/3667=31...(13) HB2 LEU 43 - HB ILE 17 OK 19 83 - 23 - 4071/2.1=4, 4079/3.2=4...(7) HD2 LYS 27 - HB ILE 17 lone 3 71 - 4 - 4079/3.2=1 Peak 4071 from cnoeabs.peaks (1.22, 0.81, 17.21 ppm; 4.03 A): 3 out of 5 assignments used, quality = 0.83: QG2 THR 14 + QG2 ILE 17 OK 77 96 - 80 - 3.2/4003=24, 4079/3.3=19...(13) HG LEU 19 + QG2 ILE 17 OK 16 81 - 20 - 3.0/1224=6, ~1210=4...(5) HB2 LEU 43 + QG2 ILE 17 OK 11 99 - 11 - 4070/2.1=3, 4079/3.3=2, ~4477=1 HD2 LYS 27 - QG2 ILE 17 lone 2 97 - 2 - HB2 LEU 29 - QG2 ILE 17 lone 2 76 - 3 - Peak 4072 from cnoeabs.peaks (1.98, 0.81, 17.21 ppm; 4.19 A): 4 out of 10 assignments used, quality = 0.98: HB3 ARG 21 + QG2 ILE 17 OK 73 99 - 74 - 3.0/4807=16, 3.5/4137=16...(15) HB2 ARG 21 + QG2 ILE 17 OK 72 97 - 74 - 3.0/4807=16, 3.5/4137=16...(15) HB3 GLU 18 + QG2 ILE 17 OK 52 85 - 61 - 3.0/4076=28, 3.9/35=18...(10) HB2 GLU 18 + QG2 ILE 17 OK 52 85 - 61 - 3.0/4076=28, 3.9/35=18...(10) HG2 PRO 32 - QG2 ILE 17 OK 13 100 - 13 - 2.3/4075=4, ~3668=2...(5) HD3 LYS 22 - QG2 ILE 17 lone 7 90 - 8 - 6.1/1218=2, 1464/4.0=1, ~3688=1 HD3 ARG 55 - QG2 ILE 17 lone 6 100 - 5 - 1.8/4073=2, ~4069=1, ~4068=1 HB2 MET 11 - QG2 ILE 17 lone 4 83 - 4 - HB3 GLN 63 - QG2 ILE 17 lone 2 83 - 3 - HB3 GLU 67 - QG2 ILE 17 lone 2 89 - 2 - Peak 4073 from cnoeabs.peaks (2.41, 0.81, 17.21 ppm; 4.38 A): 4 out of 7 assignments used, quality = 0.90: HG3 GLU 20 + QG2 ILE 17 OK 66 96 - 70 - ~4121=18, 4122/3.2=16...(11) HG3 GLU 18 + QG2 ILE 17 OK 61 100 - 62 - 3.9/4076=26, 4.9/35=15...(11) HG3 GLN 47 + QG2 ILE 17 OK 15 99 - 15 - 3.8/4544=3, 4069/2.1=3...(5) HG2 GLU 45 + QG2 ILE 17 OK 12 95 - 12 - 4068/3.2=3, 4069/2.1=2...(5) HD2 ARG 55 - QG2 ILE 17 lone 8 100 - 7 - 4068/3.2=2, 4069/2.1=2 HG2 GLN 53 - QG2 ILE 17 lone 6 65 - 8 - ~3686=2, ~3687=1, 4069/2.1=1 HG2 MET 11 - QG2 ILE 17 lone 4 71 - 6 - 4068/3.2=1 Peak 4074 from cnoeabs.peaks (3.22, 0.81, 17.21 ppm; 4.18 A): 3 out of 5 assignments used, quality = 0.96: HA VAL 16 + QG2 ILE 17 OK 73 100 - 73 - 3.6/522=28, ~4051=12...(15) HD3 ARG 21 + QG2 ILE 17 OK 71 96 - 74 - 4137=24, 1.8/4136=20...(12) HD2 ARG 21 + QG2 ILE 17 OK 55 78 - 70 - 1.8/4137=22, 2.9/4807=17...(12) HB2 HIS 13 - QG2 ILE 17 lone 8 97 - 8 - 4080/3.3=3, 28/4.0=2 HB2 HIS 10 - QG2 ILE 17 lone 2 81 - 2 - Peak 4075 from cnoeabs.peaks (3.80, 0.81, 17.21 ppm; 4.37 A): 2 out of 5 assignments used, quality = 0.95: HA THR 14 + QG2 ILE 17 OK 89 95 - 94 - 4003=42, 4002/3.2=30...(13) HA GLN 15 + QG2 ILE 17 OK 51 99 - 52 - 3671/4.3=16, 933/4.0=9...(9) HD3 PRO 32 - QG2 ILE 17 OK 22 100 - 21 - 3668/2.1=4, 4078/3.2=3...(8) HA ARG 34 - QG2 ILE 17 OK 19 97 - 19 - 940/4.3=3, 3668/2.1=3...(7) HA ILE 50 - QG2 ILE 17 OK 13 68 - 18 - 3.0/731=4, 3.6/248=3...(8) Peak 4076 from cnoeabs.peaks (4.19, 0.81, 17.21 ppm; 4.09 A): 1 out of 2 assignments used, quality = 0.85: HA GLU 18 + QG2 ILE 17 OK 85 100 - 85 - 4087=35, 3.0/35=21...(21) HA ALA 31 - QG2 ILE 17 lone 8 83 - 10 - 3.8/4075=3, 4138/4807=1...(4) Peak 4077 from cnoeabs.peaks (3.81, 1.08, 28.44 ppm; 4.09 A): 2 out of 4 assignments used, quality = 0.95: HA THR 14 + HG12 ILE 17 OK 93 100 - 93 - 4002=50, 4004/2.1=28...(12) HA GLN 15 + HG12 ILE 17 OK 30 83 - 37 - 4081/2.1=10, 3668/3.0=8...(7) HD3 PRO 32 - HG12 ILE 17 OK 15 93 - 16 - 4081/2.1=4, 3668/3.0=3...(5) HA ARG 34 - HG12 ILE 17 OK 10 73 - 13 - 4078/1.8=3, 4081/2.1=3...(5) Peak 4078 from cnoeabs.peaks (3.80, 1.38, 28.44 ppm; 4.37 A): 4 out of 5 assignments used, quality = 0.94: HA THR 14 + HG13 ILE 17 OK 87 95 - 92 - 4002/1.8=39, 4004/2.1=28...(12) HA GLN 15 + HG13 ILE 17 OK 39 99 - 40 - 4081/2.1=9, 933/4.6=8...(7) HD3 PRO 32 + HG13 ILE 17 OK 18 100 - 17 - 4077/1.8=4, 4075/3.2=3...(5) HA ARG 34 + HG13 ILE 17 OK 15 97 - 15 - 4075/3.2=3, 4077/1.8=2...(5) HA ILE 50 - HG13 ILE 17 lone 6 68 - 9 - 2477/3.2=2, ~731=2, 3.0/237=2 Peak 4079 from cnoeabs.peaks (1.21, 0.70, 12.32 ppm; 4.44 A): 2 out of 3 assignments used, quality = 0.91: QG2 THR 14 + QD1 ILE 17 OK 90 100 - 90 - 4011=28, 3.2/4004=25...(14) HB2 LEU 43 + QD1 ILE 17 OK 11 85 - 12 - 4070/3.2=4, 4071/3.3=3, ~4477=1 HD2 LYS 27 - QD1 ILE 17 lone 3 73 - 3 - Peak 4080 from cnoeabs.peaks (3.23, 0.70, 12.32 ppm; 4.93 A): 3 out of 5 assignments used, quality = 0.94: HA VAL 16 + QD1 ILE 17 OK 79 100 - 79 - 3.0/4083=31, 3.6/525=21...(15) HD3 ARG 21 + QD1 ILE 17 OK 61 100 - 62 - 4137/3.3=23, ~4136=15...(9) HD2 ARG 21 + QD1 ILE 17 OK 31 57 - 55 - ~4137=16, ~4807=11...(7) HB2 HIS 13 - QD1 ILE 17 OK 29 87 - 33 - 4.0/4624=29, 28/5.0=2 HB2 HIS 10 - QD1 ILE 17 lone 1 60 - 2 - Peak 4081 from cnoeabs.peaks (3.81, 0.70, 12.32 ppm; 3.75 A): 3 out of 4 assignments used, quality = 0.93: HA THR 14 + QD1 ILE 17 OK 87 100 - 87 - 4004=35, 4002/2.1=31...(11) HA GLN 15 + QD1 ILE 17 OK 36 83 - 44 - 3.6/4083=16, 3668/3.2=6...(10) HD3 PRO 32 + QD1 ILE 17 OK 13 93 - 13 - 4077/2.1=3, 3668/3.2=3...(5) HA ARG 34 - QD1 ILE 17 poor 9 73 - 12 - 4077/2.1=2, 4078/2.1=2...(5) Peak 4082 from cnoeabs.peaks (7.12, 0.70, 12.32 ppm; 4.74 A): 1 out of 4 assignments used, quality = 0.81: HD2 HIS 13 + QD1 ILE 17 OK 81 100 - 81 - 4624=43, 4623/2.1=38...(5) HD1 TRP 51 - QD1 ILE 17 poor 8 81 - 10 - 5.0/4694=5, 4044/4063=2 QD TYR 28 - QD1 ILE 17 lone 6 99 - 6 - 4745/4079=5 QD TYR 57 - QD1 ILE 17 lone 4 71 - 5 - 4.4/38=3 Peak 4083 from cnoeabs.peaks (7.83, 0.70, 12.32 ppm; 5.21 A): 1 out of 1 assignment used, quality = 0.69: H VAL 16 + QD1 ILE 17 OK 69 99 - 70 - 27/5.0=29, 4.0/4063=15...(9) Peak 4085 from cnoeabs.peaks (1.86, 4.19, 58.41 ppm; 4.18 A): 3 out of 9 assignments used, quality = 0.95: HG2 ARG 21 + HA GLU 18 OK 77 100 - 78 - 4138=25, 2.9/4140=20...(14) HB ILE 17 + HA GLU 18 OK 58 76 - 77 - 2.1/4076=33, 3370/3.0=15...(14) HG LEU 41 + HA GLU 18 OK 51 99 - 51 - 2.1/4088=13, 2.1/4088=11...(11) HB3 ARG 34 - HA GLU 18 OK 21 100 - 20 - 3724=5, 1.8/3722=4...(8) HB2 GLU 33 - HA GLU 18 lone 5 78 - 6 - 4.6/976=2, 4.0/972=1 HB3 MET 11 - HA GLU 18 lone 4 68 - 6 - HB2 LYS 42 - HA GLU 18 lone 2 60 - 3 - 4.7/3692=2 HB3 LYS 49 - HA GLU 18 lone 2 83 - 2 - HB2 LYS 60 - HA GLU 18 lone 1 68 - 2 - Peak 4087 from cnoeabs.peaks (0.79, 4.19, 58.41 ppm; 4.03 A): 2 out of 2 assignments used, quality = 0.76: QG2 ILE 17 + HA GLU 18 OK 73 89 - 82 - 4076=36, 35/3.0=18...(19) QD1 ILE 50 + HA GLU 18 OK 13 99 - 13 - 35/3.0=2, 4136/4140=2...(5) Peak 4088 from cnoeabs.peaks (0.73, 4.19, 58.41 ppm; 4.41 A): 4 out of 4 assignments used, quality = 0.91: QD1 LEU 41 + HA GLU 18 OK 64 96 - 67 - 4438/3.6=19, 4091/3.9=13...(12) QD2 LEU 41 + HA GLU 18 OK 57 87 - 66 - 4093/3.9=16, 4437/3.0=14...(12) HB2 LEU 19 + HA GLU 18 OK 33 78 - 42 - 534/3.6=14, 4.4/3691=14...(9) HG LEU 29 + HA GLU 18 OK 15 97 - 14 - 4091/3.9=3, 4093/3.9=3...(6) Peak 4089 from cnoeabs.peaks (0.74, 2.00, 29.57 ppm; 3.20 A): 4 out of 9 assignments used, quality = 0.96: QD2 LEU 41 + HB2 GLU 18 OK 61 98 - 63 - 4093/3.0=14, 4451=12...(17) QD2 LEU 41 + HB3 GLU 18 OK 61 98 - 63 - 4093/3.0=14, 4451=12...(17) QD1 LEU 41 + HB3 GLU 18 OK 47 81 - 58 - 4091/3.0=9, 2.1/4451=8...(16) QD1 LEU 41 + HB2 GLU 18 OK 47 81 - 58 - 4091/3.0=9, 2.1/4451=8...(16) HG LEU 29 - HB3 GLU 18 OK 11 100 - 11 - 4093/3.0=2, 4091/3.0=2...(5) HG LEU 29 - HB2 GLU 18 OK 11 100 - 11 - 4093/3.0=2, 4091/3.0=2...(5) QD2 LEU 41 - HB3 GLN 63 lone 3 85 - 3 - QD1 LEU 41 - HB3 GLN 63 lone 2 66 - 3 - HG LEU 29 - HB3 GLN 63 lone 1 89 - 1 - Peak 4090 from cnoeabs.peaks (1.20, 2.28, 35.25 ppm; 4.48 A): 2 out of 2 assignments used, quality = 0.74: QG2 THR 14 + HG2 GLU 18 OK 71 97 - 73 - 4009=31, 4010/1.8=30...(11) HB2 LEU 43 + HG2 GLU 18 OK 11 63 - 18 - 4092/1.8=4, 4452/4450=3...(7) Peak 4091 from cnoeabs.peaks (0.73, 2.28, 35.25 ppm; 3.69 A): 4 out of 4 assignments used, quality = 0.89: QD1 LEU 41 + HG2 GLU 18 OK 65 96 - 68 - 2.1/4450=18, ~4093=16...(17) QD2 LEU 41 + HG2 GLU 18 OK 57 87 - 67 - 4450=19, 4093/1.8=19...(15) HB2 LEU 19 + HG2 GLU 18 OK 16 78 - 20 - 4.0/3378=7, 4088/3.9=4...(7) HG LEU 29 + HG2 GLU 18 OK 13 97 - 13 - 4093/1.8=3, 4088/3.9=2...(6) Peak 4092 from cnoeabs.peaks (1.20, 2.41, 35.25 ppm; 4.65 A): 3 out of 6 assignments used, quality = 0.84: QG2 THR 14 + HG3 GLU 18 OK 74 97 - 77 - 4090/1.8=36, 4010=34...(11) HB2 LEU 43 + HG3 GLN 47 OK 27 30 - 87 - 4487/3.0=16, ~4496=15...(19) HB2 LEU 43 + HG3 GLU 18 OK 12 63 - 20 - 4090/1.8=6, 4452/4093=4...(6) QG2 THR 14 - HG3 GLU 20 poor 7 62 - 11 - 4070/4069=3, 4010=3...(4) QG2 THR 14 - HG3 GLN 47 lone 4 55 - 7 - 4010=3 HB2 LEU 43 - HG3 GLU 20 lone 1 35 - 4 - Peak 4093 from cnoeabs.peaks (0.75, 2.41, 35.25 ppm; 3.89 A): 2 out of 6 assignments used, quality = 0.78: QD2 LEU 41 + HG3 GLU 18 OK 74 100 - 75 - 4449=26, 4450/1.8=21...(13) HG LEU 29 + HG3 GLU 18 OK 12 99 - 12 - 4091/1.8=3, 4089/3.0=2...(6) QD2 LEU 41 - HG3 GLN 47 lone 6 60 - 9 - 4449=4, 2121/5.1=2 QD2 LEU 41 - HG3 GLU 20 lone 4 66 - 6 - 4449=1, 4437/531=1 HG LEU 29 - HG3 GLN 47 lone 3 57 - 5 - ~4891=1, ~4553=1 HG LEU 29 - HG3 GLU 20 lone 1 63 - 1 - Peak 4094 from cnoeabs.peaks (1.21, 2.00, 29.57 ppm; 4.51 A): 4 out of 9 assignments used, quality = 0.88: QG2 THR 14 + HB3 GLU 18 OK 60 100 - 60 - 4010/3.0=26, 4090/3.0=24...(11) QG2 THR 14 + HB2 GLU 18 OK 60 100 - 60 - 4010/3.0=26, 4090/3.0=24...(11) HB2 LEU 43 + HB3 GLU 18 OK 13 92 - 14 - 4090/3.0=4, 4092/3.0=3...(5) HB2 LEU 43 + HB2 GLU 18 OK 13 92 - 14 - 4090/3.0=4, 4092/3.0=3...(5) QG2 THR 14 - HB3 GLN 63 lone 3 89 - 3 - HB2 LEU 43 - HB3 GLN 63 lone 2 77 - 3 - ~4694=1 HD2 LYS 27 - HB2 GLU 18 lone 2 83 - 2 - HD2 LYS 27 - HB3 GLU 18 lone 2 83 - 2 - HD2 LYS 27 - HB3 GLN 63 lone 1 68 - 1 - Peak 4095 from cnoeabs.peaks (3.80, 2.41, 35.25 ppm; 5.23 A): 3 out of 15 assignments used, quality = 0.93: HA THR 14 + HG3 GLU 18 OK 75 95 - 79 - 3.2/4010=29, ~4090=24...(12) HA GLN 15 + HG3 GLU 18 OK 63 99 - 63 - 3671/4.9=19, 4096/1.8=17...(11) HA ARG 34 + HG3 GLU 18 OK 26 97 - 27 - 4096/1.8=7, 940/4.9=4...(7) HD3 PRO 32 - HG3 GLU 18 OK 14 100 - 14 - 4096/1.8=3, 940/4.9=2...(5) HA ILE 50 - HG3 GLN 47 OK 12 34 - 37 - ~4545=11, ~4560=8...(6) HA THR 14 - HG3 GLU 20 OK 10 58 - 18 - 4003/4073=5, 3667/4069=4...(4) HA ARG 34 - HG3 GLN 47 poor 10 55 - 18 - 3739/5.1=3, ~4545=3...(6) HA ILE 50 - HG3 GLU 18 poor 8 68 - 11 - 4096/1.8=2, 940/4.9=2, 4601=1 HA GLN 15 - HG3 GLU 20 poor 7 65 - 11 - 3671/531=3, 4075/4073=2...(4) HA ARG 34 - HG3 GLU 20 lone 6 62 - 9 - 3744/5.0=4 HA THR 14 - HG3 GLN 47 lone 4 52 - 8 - 3.2/4010=2, 4003/4073=1 HA GLN 15 - HG3 GLN 47 lone 3 58 - 5 - HD3 PRO 32 - HG3 GLU 20 lone 3 66 - 4 - HA ILE 50 - HG3 GLU 20 lone 2 38 - 6 - HD3 PRO 32 - HG3 GLN 47 lone 2 60 - 4 - Peak 4096 from cnoeabs.peaks (3.79, 2.28, 35.25 ppm; 4.19 A): 3 out of 5 assignments used, quality = 0.76: HA GLN 15 + HG2 GLU 18 OK 49 99 - 50 - 3671/4.9=12, 3674/3.0=9...(12) HA THR 14 + HG2 GLU 18 OK 41 68 - 60 - 3.2/4090=23, ~4010=14...(11) HA ARG 34 + HG2 GLU 18 OK 20 100 - 20 - 4.8/4361=3, 940/4.9=2...(8) HD3 PRO 32 - HG2 GLU 18 lone 9 95 - 9 - 940/4.9=2, 4095/1.8=1...(5) HA ILE 50 - HG2 GLU 18 lone 7 95 - 7 - 4601/1.8=2, 940/4.9=1 Peak 4097 from cnoeabs.peaks (3.22, 4.19, 58.41 ppm; 4.02 A): 3 out of 7 assignments used, quality = 0.92: HD3 ARG 21 + HA GLU 18 OK 64 89 - 73 - 1.8/4140=22, 4139=20...(14) HD2 ARG 21 + HA GLU 18 OK 62 89 - 71 - 1.8/4139=21, 4140=20...(13) HA VAL 16 + HA GLU 18 OK 42 99 - 43 - 945/3.6=13, 4042/3.0=10...(8) HB2 HIS 13 - HA GLU 18 lone 5 100 - 5 - 945/3.6=2 HB2 HIS 10 - HA GLU 18 lone 2 90 - 2 - HB3 HIS 36 - HA GLU 18 lone 1 60 - 2 - HB2 HIS 36 - HA GLU 18 lone 1 60 - 2 - Peak 4098 from cnoeabs.peaks (7.73, 0.53, 23.51 ppm; 4.28 A): 2 out of 3 assignments used, quality = 0.77: QD PHE 52 + QD2 LEU 19 OK 74 96 - 78 - 2.2/4707=43, 3.7/4113=18...(13) H ARG 56 + QD2 LEU 19 OK 10 96 - 11 - 4626/4114=2, 4247/4826=2...(5) H THR 59 - QD2 LEU 19 lone 4 97 - 4 - Peak 4099 from cnoeabs.peaks (7.53, 0.53, 23.51 ppm; 3.40 A): 2 out of 6 assignments used, quality = 0.81: QE PHE 52 + QD2 LEU 19 OK 75 100 - 75 - 4707=42, 2.2/4098=19...(18) H GLU 18 + QD2 LEU 19 OK 23 76 - 30 - 4.7/537=14, 4102/4.0=3...(9) H GLN 15 - QD2 LEU 19 lone 8 78 - 10 - 4440/4816=2, 4102/4.0=2...(4) HE21 GLN 63 - QD2 LEU 19 lone 4 100 - 4 - 4102/4.0=1 H TYR 28 - QD2 LEU 19 lone 1 68 - 2 - HE22 GLN 53 - QD2 LEU 19 lone 1 65 - 2 - Peak 4100 from cnoeabs.peaks (7.17, 0.53, 23.51 ppm; 4.62 A): 3 out of 4 assignments used, quality = 0.93: HZ PHE 52 + QD2 LEU 19 OK 71 95 - 75 - 2.2/4707=46, 3.8/4098=25...(8) QE PHE 23 + QD2 LEU 19 OK 52 98 - 53 - 2.2/4101=15, 4654/2.1=12...(11) HD1 TRP 51 + QD2 LEU 19 OK 48 73 - 66 - 3.9/4114=26, 4719=14...(9) QD TYR 57 - QD2 LEU 19 lone 5 83 - 6 - 4392/4374=1, 4103/4.0=1 Peak 4101 from cnoeabs.peaks (6.96, 0.53, 23.51 ppm; 4.44 A): 2 out of 3 assignments used, quality = 0.72: HE3 TRP 51 + QD2 LEU 19 OK 56 98 - 58 - 4.2/4114=22, 5.1/4719=14...(7) HZ PHE 23 + QD2 LEU 19 OK 36 93 - 38 - 2.2/4100=10, ~4654=8...(8) HE21 GLN 53 - QD2 LEU 19 lone 2 63 - 3 - Peak 4102 from cnoeabs.peaks (7.53, 3.64, 58.54 ppm; 4.82 A): 3 out of 6 assignments used, quality = 0.79: QE PHE 52 + HA LEU 19 OK 58 100 - 58 - 4707/4.0=36, 2.2/4103=14...(10) H GLU 18 + HA LEU 19 OK 33 65 - 51 - 39/2.9=20, 949/3.6=12...(9) H GLN 15 + HA LEU 19 OK 24 87 - 27 - ~3676=8, ~946=8...(6) HE21 GLN 63 - HA LEU 19 lone 10 99 - 9 - 3.5/3702=2, 3.5/3702=1...(4) HE22 GLN 53 - HA LEU 19 lone 5 76 - 6 - 6.4/3699=2, 3.5/3702=2 H TYR 28 - HA LEU 19 lone 2 78 - 2 - Peak 4103 from cnoeabs.peaks (7.17, 3.64, 58.54 ppm; 4.99 A): 3 out of 4 assignments used, quality = 0.74: HZ PHE 52 + HA LEU 19 OK 44 98 - 46 - 2.2/4102=17, 4100/4.0=12...(10) QE PHE 23 + HA LEU 19 OK 37 100 - 37 - 6.5/4104=12, 4654/4.0=10...(8) HD1 TRP 51 + HA LEU 19 OK 25 63 - 39 - 4719/4.0=11, 3.9/3791=10...(6) QD TYR 57 - HA LEU 19 lone 5 73 - 7 - 4715/3702=2 Peak 4104 from cnoeabs.peaks (8.97, 3.64, 58.54 ppm; 5.99 A): 1 out of 2 assignments used, quality = 0.46: H PHE 23 + HA LEU 19 OK 46 71 - 65 - 4.6/3699=17, 4.3/3702=17...(8) H SER 30 - HA LEU 19 lone 7 98 - 7 - 3706/4.7=2, 117/3.7=2 Peak 4106 from cnoeabs.peaks (0.93, 3.64, 58.54 ppm; 4.22 A): 3 out of 4 assignments used, quality = 0.76: QD2 LEU 37 + HA LEU 19 OK 59 95 - 62 - 4374/4.0=27, 4375/3.0=16...(14) QG2 VAL 48 + HA LEU 19 OK 33 81 - 42 - 4117/4.0=10, 4577/3.7=6...(13) QG2 ILE 50 + HA LEU 19 OK 14 89 - 15 - 4.3/1032=5, 4117/4.0=1...(6) QD1 LEU 64 - HA LEU 19 lone 2 71 - 2 - Peak 4107 from cnoeabs.peaks (1.71, 3.64, 58.54 ppm; 5.18 A): 3 out of 12 assignments used, quality = 0.82: HG2 LYS 22 + HA LEU 19 OK 57 98 - 59 - 5.0/4104=18, 2.9/3702=18...(10) HG3 LYS 22 + HA LEU 19 OK 36 65 - 55 - 5.0/4104=18, 2.9/3702=18...(7) HB3 LEU 37 + HA LEU 19 OK 33 65 - 51 - 3.1/4106=22, ~4375=12...(7) HG13 ILE 50 - HA LEU 19 lone 9 95 - 9 - 3.2/4106=5, 247/1032=1 HB2 ARG 56 - HA LEU 19 lone 3 90 - 3 - HD2 LYS 39 - HA LEU 19 lone 3 97 - 3 - HD3 LYS 39 - HA LEU 19 lone 3 97 - 3 - HD2 LYS 49 - HA LEU 19 lone 3 100 - 3 - HD3 LYS 49 - HA LEU 19 lone 3 100 - 3 - HD2 LYS 42 - HA LEU 19 lone 2 92 - 3 - HB3 ARG 61 - HA LEU 19 lone 2 78 - 3 - HB3 LYS 58 - HA LEU 19 lone 2 68 - 2 - Peak 4108 from cnoeabs.peaks (1.01, 0.71, 37.72 ppm; 5.18 A): 3 out of 3 assignments used, quality = 1.00: QG2 VAL 16 + HB2 LEU 19 OK 96 100 - 96 - 4767/1.8=31, 4825/3.1=25...(21) QG1 VAL 48 + HB2 LEU 19 OK 73 95 - 77 - 4825/3.1=21, ~4579=20...(13) QG1 VAL 16 + HB2 LEU 19 OK 71 76 - 94 - ~3681=24, ~4767=23...(21) Peak 4109 from cnoeabs.peaks (0.65, 1.24, 25.70 ppm; 4.40 A): 1 out of 3 assignments used, quality = 0.68: QD1 LEU 43 + HG LEU 19 OK 68 99 - 69 - 4478/2.1=43, 4703/2.1=34...(8) HB2 ARG 55 - HG LEU 19 lone 9 100 - 9 - 4703/2.1=6, 3.7/4772=1 HG2 LYS 27 - HG LEU 19 lone 8 92 - 8 - 4703/2.1=3, 3.7/1602=2 Peak 4112 from cnoeabs.peaks (3.21, 1.24, 25.70 ppm; 5.06 A): 3 out of 7 assignments used, quality = 0.96: HA VAL 16 + HG LEU 19 OK 91 97 - 94 - 4057=34, 3681/3.0=31...(15) HD2 ARG 21 + HG LEU 19 OK 35 92 - 38 - ~4119=10, ~3680=6...(9) HD3 ARG 21 + HG LEU 19 OK 34 85 - 41 - 4119/2.1=9, 3680/3.0=8...(9) HB2 HIS 13 - HG LEU 19 OK 14 100 - 14 - 3680/3.0=3, 4.0/4622=2...(6) HB2 HIS 10 - HG LEU 19 lone 3 93 - 3 - HB3 HIS 36 - HG LEU 19 lone 3 65 - 4 - 4.0/1297=2 HB2 HIS 36 - HG LEU 19 lone 3 65 - 4 - 4.0/1297=2 Peak 4113 from cnoeabs.peaks (3.76, 0.53, 23.51 ppm; 4.93 A): 2 out of 4 assignments used, quality = 0.74: HA PHE 52 + QD2 LEU 19 OK 70 100 - 70 - 3.7/4098=28, 5.6/4707=25...(11) HA ILE 50 + QD2 LEU 19 OK 14 93 - 15 - 2474/4374=3, ~4704=2...(5) HA3 GLY 69 - QD2 LEU 19 lone 2 95 - 2 - HA2 GLY 69 - QD2 LEU 19 lone 2 93 - 2 - Peak 4114 from cnoeabs.peaks (3.50, 0.53, 23.51 ppm; 4.84 A): 1 out of 1 assignment used, quality = 0.80: HB2 TRP 51 + QD2 LEU 19 OK 80 100 - 80 - 4749=29, 3.9/4719=21...(11) Peak 4115 from cnoeabs.peaks (3.27, 0.53, 23.51 ppm; 4.83 A): 3 out of 4 assignments used, quality = 0.93: HB2 PHE 52 + QD2 LEU 19 OK 77 100 - 77 - 2.5/4098=34, 4.4/4707=33...(8) HB3 TRP 51 + QD2 LEU 19 OK 60 81 - 74 - 1.8/4114=40, 3.9/4719=20...(9) HD3 ARG 34 + QD2 LEU 19 OK 19 100 - 19 - 3.0/4116=6, 4334/4825=4...(5) HB3 HIS 13 - QD2 LEU 19 lone 9 100 - 8 - ~4112=2, ~3680=2, ~4119=2 Peak 4116 from cnoeabs.peaks (1.58, 0.53, 23.51 ppm; 4.47 A): 4 out of 9 assignments used, quality = 0.94: HG LEU 37 + QD2 LEU 19 OK 81 90 - 89 - 2.1/4378=46, 4381=43...(9) HB3 LEU 43 + QD2 LEU 19 OK 44 65 - 67 - 3.1/4478=37, ~4703=18...(7) HG3 ARG 34 + QD2 LEU 19 OK 30 97 - 31 - 4330/4826=10...(11) HG3 ARG 21 + QD2 LEU 19 OK 19 63 - 31 - ~4119=6, 3.0/4771=5...(8) HG2 LYS 49 - QD2 LEU 19 lone 8 100 - 8 - 4573/4825=2, 4892/4826=1 HB3 LYS 27 - QD2 LEU 19 lone 8 90 - 8 - ~4109=2, ~4703=1, ~1602=1 QB ALA 31 - QD2 LEU 19 lone 4 87 - 4 - 4892/4826=1 HG3 ARG 61 - QD2 LEU 19 lone 1 85 - 2 - HG2 ARG 61 - QD2 LEU 19 lone 1 83 - 2 - Peak 4117 from cnoeabs.peaks (0.94, 0.53, 23.51 ppm; 2.90 A): 3 out of 4 assignments used, quality = 0.82: QD2 LEU 37 + QD2 LEU 19 OK 54 87 - 62 - 2.1/4378=24, 4374=20...(10) QG2 VAL 48 + QD2 LEU 19 OK 39 90 - 43 - 2.1/4825=12, 3.2/4579=9...(14) QD1 LEU 37 + QD2 LEU 19 OK 35 65 - 54 - 2.1/4374=20, 4378=15...(10) QG2 ILE 50 - QD2 LEU 19 lone 6 78 - 8 - 3.2/4113=2, 4106/4.0=1 Peak 4118 from cnoeabs.peaks (1.01, -0.28, 24.60 ppm; 4.52 A): 3 out of 3 assignments used, quality = 0.99: QG2 VAL 16 + QD1 LEU 19 OK 90 99 - 91 - 4825/2.1=26, 3.2/4769=23...(21) QG1 VAL 48 + QD1 LEU 19 OK 72 98 - 73 - 4825/2.1=22, ~4579=19...(12) QG1 VAL 16 + QD1 LEU 19 OK 56 65 - 85 - 3.2/4769=23, ~4825=18...(19) Peak 4119 from cnoeabs.peaks (3.23, -0.28, 24.60 ppm; 4.24 A): 2 out of 3 assignments used, quality = 0.89: HA VAL 16 + QD1 LEU 19 OK 82 97 - 84 - 4769=30, 3681/3.1=21...(15) HD3 ARG 21 + QD1 LEU 19 OK 36 100 - 37 - 3.5/4704=7, 3.5/4704=7...(10) HB2 HIS 13 - QD1 LEU 19 lone 7 76 - 9 - 3680/3.1=2, 4112/2.1=1...(5) Peak 4121 from cnoeabs.peaks (3.68, 2.46, 35.40 ppm; 4.91 A): 1 out of 1 assignment used, quality = 0.84: HA ILE 17 + HG2 GLU 20 OK 84 98 - 86 - 3687/3.0=35, 3689/3.0=32...(11) Peak 4122 from cnoeabs.peaks (3.68, 2.42, 35.40 ppm; 5.17 A): 2 out of 2 assignments used, quality = 0.94: HA ILE 17 + HG3 GLU 20 OK 91 98 - 93 - 4121/1.8=43, 3687/3.0=37...(14) HA ILE 17 + HG3 GLU 18 OK 37 62 - 59 - 3.6/531=17, 3.2/4073=13...(13) Peak 4123 from cnoeabs.peaks (1.01, 2.42, 35.40 ppm; 4.43 A): 2 out of 6 assignments used, quality = 0.81: QG2 VAL 16 + HG3 GLU 20 OK 65 100 - 65 - 4124/1.8=24, ~4059=19...(11) QG1 VAL 16 + HG3 GLU 20 OK 47 78 - 60 - 4059/1.8=19, ~4124=17...(10) QG2 VAL 16 - HG3 GLU 18 poor 8 66 - 12 - 2.1/4058=4, 4045/4133=1...(6) QG1 VAL 48 - HG3 GLU 18 poor 7 57 - 13 - ~4805=8, ~4770=2 QG1 VAL 48 - HG3 GLU 20 lone 5 93 - 5 - 4124/1.8=2 QG1 VAL 16 - HG3 GLU 18 poor 5 45 - 12 - 4058=3, 4051/4122=2...(5) Peak 4124 from cnoeabs.peaks (1.01, 2.46, 35.40 ppm; 4.39 A): 2 out of 3 assignments used, quality = 0.82: QG2 VAL 16 + HG2 GLU 20 OK 71 99 - 72 - 2.1/4059=24, 4123/1.8=18...(14) QG1 VAL 16 + HG2 GLU 20 OK 39 65 - 59 - 4059=15, 4123/1.8=13...(12) QG1 VAL 48 - HG2 GLU 20 lone 5 98 - 5 - 4123/1.8=1 Peak 4129 from cnoeabs.peaks (7.25, 4.22, 59.07 ppm; 4.82 A): 1 out of 1 assignment used, quality = 0.96: HZ2 TRP 51 + HA GLU 20 OK 96 100 - 96 - 2.5/4131=47, 4684=45...(10) Peak 4130 from cnoeabs.peaks (7.05, 4.22, 59.07 ppm; 5.07 A): 1 out of 3 assignments used, quality = 0.88: QD PHE 23 + HA GLU 20 OK 88 98 - 90 - 2.4/3707=43, 2.4/3709=42...(9) HD2 HIS 10 - HA GLU 20 lone 2 89 - 3 - HD2 HIS 36 - HA GLU 20 lone 2 100 - 2 - Peak 4131 from cnoeabs.peaks (6.44, 4.22, 59.07 ppm; 3.40 A): 1 out of 1 assignment used, quality = 0.83: HH2 TRP 51 + HA GLU 20 OK 83 100 - 83 - 4685=40, 2.5/4684=20...(11) Peak 4132 from cnoeabs.peaks (7.25, 2.46, 35.40 ppm; 4.48 A): 1 out of 1 assignment used, quality = 0.92: HZ2 TRP 51 + HG2 GLU 20 OK 92 100 - 92 - 4688=40, 4133/1.8=31...(13) Peak 4133 from cnoeabs.peaks (7.25, 2.42, 35.40 ppm; 4.56 A): 2 out of 2 assignments used, quality = 0.92: HZ2 TRP 51 + HG3 GLU 20 OK 90 100 - 90 - 4132/1.8=40, 4684/4.1=26...(12) HZ2 TRP 51 + HG3 GLU 18 OK 20 66 - 31 - 2.5/4720=8, ~4693=8...(7) Peak 4136 from cnoeabs.peaks (0.80, 3.20, 43.43 ppm; 4.62 A): 2 out of 2 assignments used, quality = 0.85: QG2 ILE 17 + HD2 ARG 21 OK 73 100 - 73 - 4137/1.8=26, 4807/2.9=20...(12) QD1 ILE 50 + HD2 ARG 21 OK 45 99 - 45 - 4137/1.8=15, 4806/2.9=12...(7) Peak 4137 from cnoeabs.peaks (0.81, 3.23, 43.43 ppm; 4.47 A): 2 out of 2 assignments used, quality = 0.86: QG2 ILE 17 + HD3 ARG 21 OK 76 100 - 76 - 4136/1.8=23, 4807/2.9=19...(12) QD1 ILE 50 + HD3 ARG 21 OK 43 97 - 44 - 4136/1.8=14, 4806/2.9=12...(6) Peak 4138 from cnoeabs.peaks (4.19, 1.86, 27.31 ppm; 4.72 A): 2 out of 2 assignments used, quality = 0.87: HA GLU 18 + HG2 ARG 21 OK 81 100 - 82 - 4140/2.9=25, 3692/4.7=23...(14) HA ALA 31 + HG2 ARG 21 OK 30 83 - 35 - 3723=8, 4140/2.9=8...(7) Peak 4139 from cnoeabs.peaks (4.20, 3.23, 43.43 ppm; 4.39 A): 3 out of 4 assignments used, quality = 0.86: HA GLU 18 + HD3 ARG 21 OK 77 100 - 77 - 4140/1.8=26, 4138/2.9=21...(14) HA ALA 31 + HD3 ARG 21 OK 23 92 - 25 - 4140/1.8=8, 4138/2.9=8...(5) HA GLU 20 + HD3 ARG 21 OK 21 71 - 30 - 3.6/552=16, 3.0/951=7...(6) HB3 SER 30 - HD3 ARG 21 lone 1 63 - 1 - Peak 4140 from cnoeabs.peaks (4.19, 3.20, 43.43 ppm; 4.73 A): 2 out of 2 assignments used, quality = 0.83: HA GLU 18 + HD2 ARG 21 OK 78 100 - 78 - 4139/1.8=27, 4138/2.9=24...(13) HA ALA 31 + HD2 ARG 21 OK 23 83 - 27 - 4138/2.9=9, 4139/1.8=8...(5) Peak 4141 from cnoeabs.peaks (7.17, 2.06, 30.62 ppm; 4.49 A): 2 out of 2 assignments used, quality = 0.83: HZ PHE 52 + HB2 LYS 22 OK 70 100 - 70 - 4640/1.8=30, 4144/2.9=18...(8) QE PHE 23 + HB2 LYS 22 OK 44 100 - 44 - 4142/1.8=14, 567/4.3=12...(6) Peak 4142 from cnoeabs.peaks (7.18, 2.38, 30.62 ppm; 4.35 A): 2 out of 3 assignments used, quality = 0.85: HZ PHE 52 + HB3 LYS 22 OK 75 100 - 75 - 4640=34, 4141/1.8=23...(9) QE PHE 23 + HB3 LYS 22 OK 40 100 - 40 - 4141/1.8=14, 567/4.3=11...(6) H GLU 33 - HB3 LYS 22 lone 2 57 - 4 - 4300/4.3=2 Peak 4143 from cnoeabs.peaks (7.52, 1.71, 24.77 ppm; 5.22 A): 3 out of 5 assignments used, quality = 0.84: QE PHE 52 + HG2 LYS 22 OK 79 96 - 82 - 2.2/4144=25, ~4640=21...(12) H GLN 15 + HG2 LYS 22 OK 14 97 - 14 - 4018/2.9=3, 4252/4153=3...(4) HE22 GLN 53 + HG2 LYS 22 OK 11 92 - 13 - 5.2/3825=4, 6.4/1434=4 H TYR 28 - HG2 LYS 22 lone 6 93 - 6 - 4252/4153=4 HE21 GLN 63 - HG2 LYS 22 lone 3 92 - 3 - Peak 4144 from cnoeabs.peaks (7.17, 1.71, 24.77 ppm; 4.19 A): 3 out of 3 assignments used, quality = 0.82: HZ PHE 52 + HG2 LYS 22 OK 65 99 - 66 - 4640/2.9=21, 4642/1.8=20...(8) QE PHE 23 + HG2 LYS 22 OK 39 100 - 39 - 4141/2.9=11, 4145/1.8=10...(6) QD TYR 57 + HG2 LYS 22 OK 18 68 - 27 - 4715/2.9=7, 4717=6...(6) Peak 4145 from cnoeabs.peaks (7.17, 1.68, 24.77 ppm; 4.49 A): 3 out of 4 assignments used, quality = 0.88: HZ PHE 52 + HG3 LYS 22 OK 74 96 - 78 - 4642=24, 4640/2.9=23...(9) QE PHE 23 + HG3 LYS 22 OK 42 99 - 42 - 4144/1.8=13, 4141/2.9=12...(6) QD TYR 57 + HG3 LYS 22 OK 23 81 - 29 - 4715/2.9=10, 4717/1.8=7...(5) HD1 TRP 51 - HG3 LYS 22 lone 6 71 - 9 - 4677/3.0=3, ~4619=2...(4) Peak 4146 from cnoeabs.peaks (7.30, 4.35, 57.92 ppm; 5.00 A): 2 out of 2 assignments used, quality = 0.73: HD2 HIS 25 + HA LYS 22 OK 70 100 - 70 - 4659=30, 3.9/4161=29...(5) HD21 ASN 40 + HA LYS 22 OK 11 93 - 12 - 379/2.9=5, ~385=4 Peak 4149 from cnoeabs.peaks (0.93, 4.35, 57.92 ppm; 4.86 A): 3 out of 4 assignments used, quality = 0.93: QD2 LEU 37 + HA LYS 22 OK 70 97 - 72 - 4388/3.0=19, 4151/3.0=15...(12) QG2 ILE 50 + HA LYS 22 OK 56 93 - 60 - 4150/3.0=10, 4151/3.0=10...(16) QG2 VAL 48 + HA LYS 22 OK 47 73 - 64 - 4147/2.9=10, 4152/3.7=10...(14) QD1 LEU 64 - HA LYS 22 poor 9 78 - 11 - 4151/3.0=2, 4150/3.0=2...(5) Peak 4150 from cnoeabs.peaks (0.93, 2.06, 30.62 ppm; 4.42 A): 3 out of 4 assignments used, quality = 0.95: QD2 LEU 37 + HB2 LYS 22 OK 78 97 - 80 - 4388=22, 4151/1.8=15...(15) QG2 ILE 50 + HB2 LYS 22 OK 51 93 - 54 - 4151/1.8=10, 4152/2.9=9...(13) QG2 VAL 48 + HB2 LYS 22 OK 49 73 - 67 - 4151/1.8=10, 4152/2.9=10...(19) QD1 LEU 64 - HB2 LYS 22 poor 9 78 - 10 - 4151/1.8=2, 4149/3.0=2...(5) Peak 4151 from cnoeabs.peaks (0.93, 2.38, 30.62 ppm; 4.55 A): 3 out of 4 assignments used, quality = 0.96: QD2 LEU 37 + HB3 LYS 22 OK 81 97 - 83 - 4388/1.8=21, 4387=17...(16) QG2 ILE 50 + HB3 LYS 22 OK 53 93 - 57 - 4150/1.8=11, 4152/2.9=9...(14) QG2 VAL 48 + HB3 LYS 22 OK 52 73 - 71 - 4150/1.8=11, 4152/2.9=10...(20) QD1 LEU 64 - HB3 LYS 22 poor 10 78 - 11 - 4150/1.8=2, 4149/3.0=2...(5) Peak 4152 from cnoeabs.peaks (0.93, 1.71, 24.77 ppm; 4.22 A): 3 out of 4 assignments used, quality = 0.93: QD2 LEU 37 + HG2 LYS 22 OK 72 93 - 77 - 4154/1.8=15, 4388/2.9=14...(17) QG2 VAL 48 + HG2 LYS 22 OK 52 83 - 63 - 4154/1.8=11, 4156/3.0=9...(20) QG2 ILE 50 + HG2 LYS 22 OK 47 87 - 54 - 4154/1.8=10, 4150/2.9=8...(16) QD1 LEU 64 - HG2 LYS 22 lone 7 68 - 10 - 4154/1.8=2, 4151/2.9=1...(6) Peak 4153 from cnoeabs.peaks (0.46, 1.71, 24.77 ppm; 4.35 A): 1 out of 1 assignment used, quality = 0.95: QD2 LEU 29 + HG2 LYS 22 OK 95 100 - 95 - 4155/1.8=40, 4778/3.7=31...(15) Peak 4154 from cnoeabs.peaks (0.93, 1.68, 24.77 ppm; 4.29 A): 3 out of 4 assignments used, quality = 0.94: QD2 LEU 37 + HG3 LYS 22 OK 76 93 - 82 - 4152/1.8=16, 4388/2.9=14...(17) QG2 VAL 48 + HG3 LYS 22 OK 52 83 - 63 - 4152/1.8=11, 4156/3.0=9...(17) QG2 ILE 50 + HG3 LYS 22 OK 49 87 - 56 - 4152/1.8=10, 4150/2.9=8...(17) QD1 LEU 64 - HG3 LYS 22 poor 8 68 - 11 - 4152/1.8=2, 4151/2.9=1...(6) Peak 4155 from cnoeabs.peaks (0.46, 1.68, 24.77 ppm; 4.21 A): 1 out of 1 assignment used, quality = 0.93: QD2 LEU 29 + HG3 LYS 22 OK 93 100 - 93 - 4153/1.8=36, 4778/3.7=29...(13) Peak 4156 from cnoeabs.peaks (0.93, 1.82, 27.95 ppm; 4.37 A): 3 out of 4 assignments used, quality = 0.94: QD2 LEU 37 + HD2 LYS 22 OK 78 93 - 84 - 4386/3.0=16, 2.1/4815=15...(16) QG2 VAL 48 + HD2 LYS 22 OK 54 83 - 66 - 4158/1.8=10, 4152/3.0=10...(17) QG2 ILE 50 + HD2 LYS 22 OK 45 87 - 51 - 4152/3.0=9, 4154/3.0=8...(13) QD1 LEU 64 - HD2 LYS 22 lone 7 68 - 10 - 4154/3.0=1, 4152/3.0=1...(6) Peak 4157 from cnoeabs.peaks (0.45, 1.82, 27.95 ppm; 4.82 A): 1 out of 1 assignment used, quality = 0.91: QD2 LEU 29 + HD2 LYS 22 OK 91 95 - 96 - 4159/1.8=43, 4778/3.0=41...(11) Peak 4158 from cnoeabs.peaks (0.94, 1.96, 27.95 ppm; 4.57 A): 4 out of 4 assignments used, quality = 0.98: QD2 LEU 37 + HD3 LYS 22 OK 71 85 - 84 - 2.1/4160=18, 4156/1.8=17...(15) QG2 VAL 48 + HD3 LYS 22 OK 64 92 - 70 - 4156/1.8=12, 4152/3.0=10...(18) QD1 LEU 37 + HD3 LYS 22 OK 58 68 - 85 - 2.1/4160=18, ~4386=13...(20) QG2 ILE 50 + HD3 LYS 22 OK 44 76 - 57 - 4156/1.8=10, 4152/3.0=9...(15) Peak 4159 from cnoeabs.peaks (0.45, 1.96, 27.95 ppm; 4.46 A): 1 out of 1 assignment used, quality = 0.91: QD2 LEU 29 + HD3 LYS 22 OK 91 98 - 93 - 4778/3.0=38, 4157/1.8=34...(10) Peak 4160 from cnoeabs.peaks (1.59, 1.96, 27.95 ppm; 4.34 A): 2 out of 10 assignments used, quality = 0.68: HG LEU 37 + HD3 LYS 22 OK 54 68 - 80 - ~4815=12, ~4386=12...(17) HB3 LEU 43 + HD3 LYS 22 OK 30 89 - 34 - 3.1/4484=10, 3.1/4481=9...(9) HG2 LYS 49 - HD3 LYS 22 lone 8 92 - 8 - 3.9/1465=2 HG3 ARG 21 - HD3 LYS 22 lone 7 87 - 9 - 63/6.1=4, 3.9/1350=1...(4) HG3 ARG 34 - HD3 LYS 22 lone 7 100 - 7 - 4575/4158=1 HG3 ARG 61 - HD3 LYS 22 lone 3 98 - 4 - 63/6.1=2 HG2 ARG 61 - HD3 LYS 22 lone 3 97 - 4 - 63/6.1=2 QB ALA 31 - HD3 LYS 22 lone 2 63 - 3 - HG LEU 68 - HD3 LYS 22 lone 2 60 - 3 - 3.6/1465=1 HB3 LYS 27 - HD3 LYS 22 lone 1 68 - 2 - Peak 4161 from cnoeabs.peaks (3.32, 4.35, 57.92 ppm; 4.63 A): 1 out of 2 assignments used, quality = 0.57: HB3 HIS 25 + HA LYS 22 OK 57 95 - 61 - 4181=25, 3.9/4146=21...(4) HB3 TRP 51 - HA LYS 22 lone 3 60 - 6 - 4.3/1037=1, 4614/4.9=1 Peak 4162 from cnoeabs.peaks (2.19, 7.18, 130.60 ppm; 5.31 A): 2 out of 3 assignments used, quality = 0.85: HG2 ARG 56 + QE PHE 23 OK 79 86 - 91 - 1.8/4646=28, ~4677=28...(11) HB2 GLU 20 + QE PHE 23 OK 29 68 - 43 - ~4130=24, ~4627=17, 1.8/4644=8 HB VAL 48 - QE PHE 23 lone 2 68 - 3 - Peak 4163 from cnoeabs.peaks (1.44, 7.18, 130.60 ppm; 4.96 A): 2 out of 11 assignments used, quality = 0.91: HG3 ARG 56 + QE PHE 23 OK 81 90 - 90 - 1.8/4643=40, 4677/2.2=32...(9) HB2 LYS 27 + QE PHE 23 OK 56 59 - 94 - 3.0/4639=32, 3.8/4652=28...(14) HB3 LEU 29 - QE PHE 23 OK 21 79 - 26 - 3.1/4249=9, 3.1/4254=8...(4) HG3 LYS 58 - QE PHE 23 OK 18 89 - 20 - 2.8/4645=7, 4649/2.2=4...(6) HG LEU 43 - QE PHE 23 OK 12 56 - 21 - 2.1/4653=5, ~4658=4...(5) HB3 LEU 41 - QE PHE 23 lone 6 79 - 8 - 4819/4835=1, 4174/2.2=1 HG3 LYS 62 - QE PHE 23 lone 5 88 - 6 - 2.9/4645=1, 4649/2.2=1 HG2 LYS 62 - QE PHE 23 lone 5 88 - 6 - 2.9/4645=1, 4649/2.2=1 HG2 LYS 39 - QE PHE 23 lone 4 84 - 4 - 3.9/4638=1 HG3 LYS 60 - QE PHE 23 lone 3 79 - 4 - HG2 LYS 60 - QE PHE 23 lone 3 77 - 4 - Peak 4164 from cnoeabs.peaks (3.91, 7.18, 130.60 ppm; 5.30 A): 2 out of 5 assignments used, quality = 0.90: HA LYS 27 + QE PHE 23 OK 88 92 - 95 - 4202/2.2=46, 4203/2.2=33...(16) HA THR 46 + QE PHE 23 OK 19 93 - 20 - 4629/2.2=7, ~4632=4...(6) HA GLN 53 - QE PHE 23 poor 7 49 - 15 - 1057/4635=3, 3.0/4643=3...(5) HD2 PRO 32 - QE PHE 23 lone 5 92 - 6 - 4629/2.2=3 HB2 SER 65 - QE PHE 23 lone 2 66 - 3 - Peak 4165 from cnoeabs.peaks (5.71, 3.15, 39.32 ppm; 4.62 A): 1 out of 1 assignment used, quality = 0.90: HZ3 TRP 51 + HB2 PHE 23 OK 90 99 - 90 - 4167/1.8=37, 2.4/4721=35...(8) Peak 4166 from cnoeabs.peaks (6.44, 3.15, 39.32 ppm; 4.83 A): 1 out of 1 assignment used, quality = 0.95: HH2 TRP 51 + HB2 PHE 23 OK 95 99 - 96 - 4721=41, 4686/1.8=41...(8) Peak 4167 from cnoeabs.peaks (5.73, 3.08, 39.32 ppm; 4.24 A): 1 out of 1 assignment used, quality = 0.90: HZ3 TRP 51 + HB3 PHE 23 OK 90 99 - 91 - 4637/2.4=36, 4723=32...(9) Peak 4168 from cnoeabs.peaks (6.46, 3.08, 39.32 ppm; 4.65 A): 1 out of 1 assignment used, quality = 0.90: HH2 TRP 51 + HB3 PHE 23 OK 90 96 - 94 - 4686=40, 4721/1.8=40...(7) Peak 4169 from cnoeabs.peaks (6.95, 7.18, 130.60 ppm; 3.91 A): 1 out of 1 assignment used, quality = 0.93: * HZ PHE 23 + QE PHE 23 OK 93 93 - 100 - 2.2=100 Peak 4170 from cnoeabs.peaks (6.95, 6.95, 128.97 ppm; diagonal): 1 out of 1 assignment used, quality = 0.97: * HZ PHE 23 + HZ PHE 23 OK 97 97 - 100 Peak 4171 from cnoeabs.peaks (7.05, 6.95, 128.97 ppm; 4.78 A): 1 out of 1 assignment used, quality = 0.95: QD PHE 23 + HZ PHE 23 OK 95 95 - 100 - 3.8=100 Peak 4172 from cnoeabs.peaks (7.17, 6.95, 128.97 ppm; 3.54 A): 1 out of 1 assignment used, quality = 0.97: QE PHE 23 + HZ PHE 23 OK 97 97 - 100 - 2.2=100 Peak 4173 from cnoeabs.peaks (4.08, 6.95, 128.97 ppm; 4.29 A): 2 out of 8 assignments used, quality = 0.85: HA ARG 56 + HZ PHE 23 OK 80 96 - 84 - 4674=38, 4638/2.2=24...(11) HA SER 24 + HZ PHE 23 OK 27 95 - 28 - 4178/3.8=21, 4638/2.2=8 HA LYS 58 - HZ PHE 23 poor 9 70 - 13 - 4638/2.2=4, ~4645=4...(5) HA ARG 21 - HZ PHE 23 lone 8 88 - 9 - 4674=3, 4638/2.2=2...(4) HB THR 46 - HZ PHE 23 poor 7 65 - 11 - ~4639=3, ~4164=2...(5) HA GLU 33 - HZ PHE 23 lone 5 89 - 5 - 4.0/4648=2, 4638/2.2=1 HA LYS 39 - HZ PHE 23 lone 5 97 - 5 - 4638/2.2=1 HA LEU 37 - HZ PHE 23 lone 3 65 - 4 - ~4645=2 Peak 4174 from cnoeabs.peaks (1.43, 6.95, 128.97 ppm; 4.93 A): 2 out of 9 assignments used, quality = 0.94: HB2 LYS 27 + HZ PHE 23 OK 82 89 - 92 - 4205=30, 3.0/4203=26...(13) HG3 ARG 56 + HZ PHE 23 OK 66 72 - 92 - 1.8/4648=34, ~4643=33...(10) HG3 LYS 58 - HZ PHE 23 poor 10 70 - 14 - ~4645=5, 4646/2.2=3, 4.0/4640=3 HB3 LEU 41 - HZ PHE 23 lone 6 96 - 6 - HG3 LYS 62 - HZ PHE 23 lone 5 97 - 5 - HG2 LYS 62 - HZ PHE 23 lone 5 97 - 5 - HG2 LYS 39 - HZ PHE 23 lone 4 97 - 4 - 3.9/4173=1 HG2 LYS 60 - HZ PHE 23 lone 4 96 - 4 - HG3 LYS 60 - HZ PHE 23 lone 3 96 - 3 - Peak 4175 from cnoeabs.peaks (1.31, 6.95, 128.97 ppm; 4.98 A): 3 out of 4 assignments used, quality = 0.74: HD3 LYS 27 + HZ PHE 23 OK 55 57 - 96 - 4652/2.2=38, 3.0/4647=31...(15) QG2 THR 59 + HZ PHE 23 OK 28 90 - 31 - 4504=15, 4503/2.2=13 QG2 THR 44 + HZ PHE 23 OK 20 70 - 28 - 4504=15, 4503/2.2=12 HG12 ILE 50 - HZ PHE 23 lone 5 83 - 6 - 4.0/4594=3 Peak 4177 from cnoeabs.peaks (7.74, 7.18, 130.60 ppm; 5.18 A): 2 out of 3 assignments used, quality = 0.98: H ARG 56 + QE PHE 23 OK 89 93 - 95 - 4.6/4643=28, 4672=24...(16) QD PHE 52 + QE PHE 23 OK 85 93 - 91 - 4698/2.2=41, ~4700=33...(13) H THR 59 - QE PHE 23 OK 20 73 - 27 - 4.0/4503=16, 4.6/4645=6 Peak 4178 from cnoeabs.peaks (7.06, 4.08, 61.10 ppm; 4.70 A): 1 out of 3 assignments used, quality = 0.71: QD PHE 23 + HA SER 24 OK 71 100 - 71 - ~78=20, ~79=20, 4628=19...(8) HD2 HIS 36 - HA SER 24 lone 6 96 - 6 - 4626=3 HD2 HIS 10 - HA SER 24 lone 2 99 - 2 - Peak 4180 from cnoeabs.peaks (4.34, 3.37, 31.20 ppm; 4.94 A): 2 out of 9 assignments used, quality = 0.67: HA LYS 22 + HB2 HIS 25 OK 63 99 - 63 - 4161/1.8=41, 4146/3.9=24 HA LEU 68 + HB2 HIS 25 OK 11 87 - 13 - 4659/3.9=4, 4181/1.8=4 HA ASN 54 - HB2 HIS 25 lone 9 97 - 9 - 4181/1.8=3, 4179/3.9=3 HA LEU 41 - HB2 HIS 25 lone 9 100 - 8 - 4181/1.8=3, 4179/3.9=2 HA LYS 49 - HB2 HIS 25 lone 4 89 - 5 - 4181/1.8=2, 4179/3.9=1 HA ASN 40 - HB2 HIS 25 lone 4 65 - 5 - 4181/1.8=1, 4659/3.9=1 HB2 SER 12 - HB2 HIS 25 lone 3 60 - 4 - HA LEU 64 - HB2 HIS 25 lone 3 60 - 4 - HA HIS 36 - HB2 HIS 25 lone 1 63 - 2 - Peak 4181 from cnoeabs.peaks (4.34, 3.31, 31.20 ppm; 4.83 A): 2 out of 9 assignments used, quality = 0.75: HA LYS 22 + HB3 HIS 25 OK 71 99 - 72 - 4161=43, 4146/3.9=23...(4) HA LEU 68 + HB3 HIS 25 OK 11 87 - 12 - 4180/1.8=4, 4659/3.9=4 HA ASN 54 - HB3 HIS 25 lone 9 97 - 9 - 4180/1.8=3, 4179/3.9=3 HA LEU 41 - HB3 HIS 25 lone 8 100 - 8 - 4180/1.8=3, 4179/3.9=2 HA LYS 49 - HB3 HIS 25 lone 4 89 - 5 - 4180/1.8=2, 4179/3.9=1 HA ASN 40 - HB3 HIS 25 lone 3 65 - 5 - 4180/1.8=1, 4659/3.9=1 HB2 SER 12 - HB3 HIS 25 lone 3 60 - 4 - HA LEU 64 - HB3 HIS 25 lone 2 60 - 4 - HA HIS 36 - HB3 HIS 25 lone 1 63 - 2 - Peak 4182 from cnoeabs.peaks (2.27, 3.31, 31.20 ppm; 5.31 A): 3 out of 6 assignments used, quality = 0.93: HG2 GLN 26 + HB3 HIS 25 OK 73 90 - 81 - 4.9/89=32, 4184/1.8=20...(10) HG3 GLN 26 + HB3 HIS 25 OK 71 89 - 81 - 4.9/89=32, 4184/1.8=20...(10) HG2 GLU 18 + HB3 HIS 25 OK 14 100 - 14 - 4184/1.8=3, 3.0/4183=3...(4) HG2 GLU 67 - HB3 HIS 25 lone 3 99 - 3 - HG2 GLN 15 - HB3 HIS 25 lone 2 68 - 3 - HG3 GLU 67 - HB3 HIS 25 lone 2 65 - 3 - Peak 4183 from cnoeabs.peaks (2.00, 3.31, 31.20 ppm; 5.20 A): 4 out of 9 assignments used, quality = 0.86: HB2 GLN 26 + HB3 HIS 25 OK 57 71 - 81 - 3.9/89=38, 4185/1.8=17...(10) HB3 GLN 26 + HB3 HIS 25 OK 57 71 - 81 - 3.9/89=38, 4185/1.8=17...(10) HB2 GLU 18 + HB3 HIS 25 OK 13 100 - 12 - 4185/1.8=3, 3.0/4182=3...(4) HB3 GLU 18 + HB3 HIS 25 OK 13 100 - 12 - 4185/1.8=3, 3.0/4182=3...(4) HB2 MET 11 - HB3 HIS 25 lone 3 100 - 3 - HB3 GLN 63 - HB3 HIS 25 lone 3 100 - 3 - HG2 PRO 32 - HB3 HIS 25 lone 2 90 - 3 - HB3 ARG 21 - HB3 HIS 25 lone 2 63 - 3 - HD3 ARG 55 - HB3 HIS 25 lone 1 68 - 2 - Peak 4184 from cnoeabs.peaks (2.28, 3.37, 31.20 ppm; 4.84 A): 3 out of 5 assignments used, quality = 0.93: HG2 GLN 26 + HB2 HIS 25 OK 72 97 - 74 - 4.9/88=27, 4182/1.8=15...(10) HG3 GLN 26 + HB2 HIS 25 OK 71 96 - 74 - 4.9/88=27, 4182/1.8=15...(10) HG2 GLU 18 + HB2 HIS 25 OK 12 100 - 11 - 4182/1.8=3, 3.0/4185=2...(4) HG2 GLU 67 - HB2 HIS 25 lone 3 100 - 3 - HG2 GLN 15 - HB2 HIS 25 lone 2 81 - 3 - Peak 4185 from cnoeabs.peaks (2.00, 3.37, 31.20 ppm; 4.86 A): 4 out of 7 assignments used, quality = 0.92: HB2 GLN 26 + HB2 HIS 25 OK 69 89 - 78 - 3.9/88=34, 3.0/4184=15...(10) HB3 GLN 26 + HB2 HIS 25 OK 69 89 - 78 - 3.9/88=34, 3.0/4184=15...(10) HB2 GLU 18 + HB2 HIS 25 OK 11 97 - 11 - 4183/1.8=3, 3.0/4184=3...(4) HB3 GLU 18 + HB2 HIS 25 OK 11 97 - 11 - 4183/1.8=3, 3.0/4184=3...(4) HB2 MET 11 - HB2 HIS 25 lone 3 98 - 3 - HB3 GLN 63 - HB2 HIS 25 lone 2 98 - 2 - HG2 PRO 32 - HB2 HIS 25 lone 2 73 - 2 - Peak 4187 from cnoeabs.peaks (4.69, 2.02, 31.80 ppm; 4.42 A): 2 out of 9 assignments used, quality = 0.86: HA HIS 25 + HB3 GLN 26 OK 62 96 - 65 - 3.6/581=16, 4189/3.0=10...(15) HA HIS 25 + HB2 GLN 26 OK 62 96 - 65 - 3.6/581=16, 4189/3.0=10...(15) HA HIS 10 - HB2 GLN 26 lone 2 100 - 2 - HA HIS 10 - HB3 GLN 26 lone 2 100 - 2 - HA MET 11 - HB3 GLN 26 lone 2 63 - 3 - HA MET 11 - HB2 GLN 26 lone 2 63 - 3 - HA HIS 25 - HB3 ARG 56 lone 1 65 - 2 - HA HIS 10 - HB3 ARG 56 lone 1 72 - 2 - HA MET 11 - HB3 ARG 56 lone 1 38 - 1 - Peak 4188 from cnoeabs.peaks (4.58, 2.29, 34.10 ppm; 4.50 A): 2 out of 6 assignments used, quality = 0.95: HA LEU 29 + HG3 GLN 26 OK 77 100 - 78 - 4191/3.5=28, 4190/3.5=22...(14) HA LEU 29 + HG2 GLN 26 OK 77 100 - 78 - 4191/3.5=28, 4190/3.5=22...(14) HA SER 12 - HG3 GLN 26 OK 23 100 - 23 - 4191/3.5=7, 4190/3.5=7...(4) HA SER 12 - HG2 GLN 26 OK 23 100 - 23 - 4191/3.5=7, 4190/3.5=7...(4) HA SER 30 - HG3 GLN 26 OK 17 57 - 29 - ~4861=12, ~4257=11...(6) HA SER 30 - HG2 GLN 26 OK 17 57 - 29 - ~4861=12, ~4257=11...(6) Peak 4189 from cnoeabs.peaks (4.68, 2.29, 34.10 ppm; 5.19 A): 2 out of 8 assignments used, quality = 0.87: HA HIS 25 + HG3 GLN 26 OK 64 81 - 80 - 3.6/582=20, 4187/3.0=18...(14) HA HIS 25 + HG2 GLN 26 OK 64 80 - 80 - 3.6/582=20, 4187/3.0=18...(14) HA MET 11 - HG3 GLN 26 lone 4 85 - 4 - HA MET 11 - HG2 GLN 26 lone 4 85 - 4 - HA HIS 10 - HG3 GLN 26 lone 3 98 - 3 - HA HIS 10 - HG2 GLN 26 lone 3 98 - 3 - HA THR 44 - HG3 GLN 26 lone 2 71 - 2 - HA THR 44 - HG2 GLN 26 lone 2 71 - 2 - Peak 4192 from cnoeabs.peaks (4.59, 2.02, 31.80 ppm; 4.52 A): 4 out of 6 assignments used, quality = 0.91: HA LEU 29 + HB3 GLN 26 OK 61 100 - 62 - 4191/4.6=22, 4190/4.6=18...(9) HA LEU 29 + HB2 GLN 26 OK 61 100 - 62 - 4191/4.6=22, 4190/4.6=18...(9) HA SER 12 + HB2 GLN 26 OK 21 100 - 21 - 4191/4.6=6, 4190/4.6=5...(5) HA SER 12 + HB3 GLN 26 OK 21 100 - 21 - 4191/4.6=6, 4190/4.6=5...(5) HA LEU 29 - HB3 ARG 56 lone 3 71 - 5 - 4.0/4193=1 HA SER 12 - HB3 ARG 56 lone 3 72 - 4 - ~3826=1 Peak 4193 from cnoeabs.peaks (0.45, 2.02, 31.80 ppm; 4.14 A): 2 out of 3 assignments used, quality = 0.93: QD2 LEU 29 + HB3 GLN 26 OK 73 96 - 77 - 4195/4.6=21, 4196/4.6=20...(13) QD2 LEU 29 + HB2 GLN 26 OK 73 96 - 77 - 4195/4.6=21, 4196/4.6=20...(13) QD2 LEU 29 - HB3 ARG 56 poor 7 65 - 10 - 4250/3.9=3, 4241/3.0=2...(4) Peak 4194 from cnoeabs.peaks (0.45, 2.29, 34.10 ppm; 3.68 A): 2 out of 2 assignments used, quality = 0.95: QD2 LEU 29 + HG2 GLN 26 OK 78 99 - 79 - 4196/3.5=24, 4195/3.5=23...(17) QD2 LEU 29 + HG3 GLN 26 OK 78 99 - 79 - 4196/3.5=24, 4195/3.5=23...(17) Peak 4197 from cnoeabs.peaks (2.72, 1.56, 32.95 ppm; 5.18 A): 2 out of 3 assignments used, quality = 0.79: HB3 TYR 28 + HB3 LYS 27 OK 75 100 - 76 - 2.5/4666=34, 4198/1.8=32...(6) HD2 ARG 56 + HB3 LYS 27 OK 17 97 - 17 - 1.8/1624=6, 4198/1.8=6 HB3 ASN 40 - HB3 LYS 27 poor 9 78 - 10 - 4198/1.8=5, 3.9/170=2, ~4423=2 Peak 4198 from cnoeabs.peaks (2.71, 1.42, 32.95 ppm; 4.74 A): 2 out of 3 assignments used, quality = 0.70: HB3 TYR 28 + HB2 LYS 27 OK 65 100 - 66 - ~4666=24, 4197/1.8=24...(6) HD2 ARG 56 + HB2 LYS 27 OK 12 100 - 12 - 4197/1.8=6, ~1624=4, 4669/4217=1 HB3 ASN 40 - HB2 LYS 27 lone 9 95 - 9 - 4197/1.8=3, 2.9/4423=2...(4) Peak 4200 from cnoeabs.peaks (7.75, 3.90, 56.76 ppm; 4.82 A): 2 out of 3 assignments used, quality = 0.67: QD PHE 52 + HA LYS 27 OK 59 100 - 59 - 2.2/4702=38...(7) H ARG 56 + HA LYS 27 OK 19 100 - 19 - 4635/4639=7, 4631/4202=6...(4) H THR 59 - HA LYS 27 lone 3 78 - 3 - 4635/4639=1 Peak 4201 from cnoeabs.peaks (7.16, 3.90, 56.76 ppm; 4.13 A): 4 out of 4 assignments used, quality = 0.94: QE PHE 23 + HA LYS 27 OK 83 92 - 90 - 4639=38, 2.2/4202=35...(16) HZ PHE 52 + HA LYS 27 OK 44 85 - 53 - 2.2/4702=31, 3.8/4200=15...(10) QD TYR 57 + HA LYS 27 OK 26 93 - 27 - 4204/3.0=4, 4208/3.7=4...(11) HD1 TRP 51 + HA LYS 27 OK 19 87 - 22 - 4204/3.0=3, 5.1/4203=3...(10) Peak 4202 from cnoeabs.peaks (7.07, 3.90, 56.76 ppm; 4.01 A): 1 out of 3 assignments used, quality = 0.81: QD PHE 23 + HA LYS 27 OK 81 99 - 82 - 4629=39, 2.2/4639=31...(13) HD2 HIS 10 - HA LYS 27 lone 2 100 - 2 - HD2 HIS 36 - HA LYS 27 lone 2 85 - 2 - Peak 4203 from cnoeabs.peaks (6.95, 3.90, 56.76 ppm; 4.87 A): 2 out of 3 assignments used, quality = 0.90: HZ PHE 23 + HA LYS 27 OK 88 100 - 88 - 2.2/4639=39, 3.8/4202=33...(11) HE3 TRP 51 + HA LYS 27 OK 21 85 - 25 - 4544/4202=7, 4673/4200=6...(6) HE21 GLN 53 - HA LYS 27 lone 3 87 - 4 - Peak 4204 from cnoeabs.peaks (7.15, 1.42, 32.95 ppm; 4.33 A): 4 out of 6 assignments used, quality = 0.94: QD TYR 28 + HB2 LYS 27 OK 64 76 - 85 - 4666/1.8=23, 2.5/4198=22...(12) QE PHE 23 + HB2 LYS 27 OK 64 73 - 88 - 2.2/4205=25, 4639/3.0=21...(14) QD TYR 57 + HB2 LYS 27 OK 34 100 - 34 - 4206/1.8=5, 4208/3.0=5...(12) HD1 TRP 51 + HB2 LYS 27 OK 24 98 - 24 - 4206/1.8=4, 4201/3.0=4...(10) HZ PHE 52 - HB2 LYS 27 OK 22 63 - 36 - ~4702=17, 4201/3.0=8...(8) HD2 HIS 13 - HB2 LYS 27 lone 3 60 - 5 - 4206/1.8=1 Peak 4205 from cnoeabs.peaks (6.93, 1.42, 32.95 ppm; 5.16 A): 1 out of 4 assignments used, quality = 0.78: HZ PHE 23 + HB2 LYS 27 OK 78 87 - 90 - ~4639=25, 4658/3.0=21...(13) HE21 GLN 53 - HB2 LYS 27 lone 3 100 - 3 - HE21 GLN 47 - HB2 LYS 27 lone 2 81 - 2 - HD22 ASN 54 - HB2 LYS 27 lone 2 78 - 2 - Peak 4206 from cnoeabs.peaks (7.13, 1.56, 32.95 ppm; 4.38 A): 3 out of 4 assignments used, quality = 0.92: QD TYR 28 + HB3 LYS 27 OK 88 100 - 89 - 4666=34, 4662/4.1=26...(11) QD TYR 57 + HB3 LYS 27 OK 24 95 - 25 - 4199/4.0=5, 4204/1.8=5...(8) HD1 TRP 51 + HB3 LYS 27 OK 17 98 - 17 - 4199/4.0=4, 4204/1.8=3...(7) HD2 HIS 13 - HB3 LYS 27 lone 5 97 - 5 - 4622/3.8=2, 4199/4.0=1 Peak 4207 from cnoeabs.peaks (6.79, 1.56, 32.95 ppm; 5.02 A): 2 out of 2 assignments used, quality = 0.84: QE TYR 28 + HB3 LYS 27 OK 81 100 - 82 - 2.2/4666=34, 4670=30...(8) QE TYR 57 + HB3 LYS 27 OK 15 60 - 25 - 2.2/4206=8, ~4204=5...(5) Peak 4208 from cnoeabs.peaks (7.16, 0.63, 24.91 ppm; 5.22 A): 2 out of 4 assignments used, quality = 0.94: QE PHE 23 + HG2 LYS 27 OK 90 92 - 98 - 4641/3.8=36, 4652/2.9=35...(16) QD TYR 57 + HG2 LYS 27 OK 40 93 - 42 - 4212/1.8=7, 4204/3.0=6...(10) HZ PHE 52 - HG2 LYS 27 OK 30 85 - 35 - 4201/3.7=10, 4209/2.9=6...(8) HD1 TRP 51 - HG2 LYS 27 OK 28 87 - 31 - 4212/1.8=5, 4210/2.9=5...(9) Peak 4209 from cnoeabs.peaks (7.17, 1.23, 28.52 ppm; 4.90 A): 1 out of 4 assignments used, quality = 0.97: QE PHE 23 + HD2 LYS 27 OK 97 99 - 98 - 4641/3.0=41, 4652/1.8=40...(16) HZ PHE 52 - HD2 LYS 27 OK 28 97 - 29 - 4201/4.9=7, 4863/3.0=5...(7) QD TYR 57 - HD2 LYS 27 OK 25 76 - 33 - 4208/2.9=6, 4210/1.8=6...(8) HD1 TRP 51 - HD2 LYS 27 OK 17 65 - 25 - 4210/1.8=5, 4208/2.9=4...(8) Peak 4210 from cnoeabs.peaks (7.16, 1.33, 28.52 ppm; 4.85 A): 4 out of 10 assignments used, quality = 0.94: QE PHE 23 + HD3 LYS 27 OK 82 85 - 96 - 4641/3.0=35, 2.2/4211=29...(15) QD TYR 57 + HD3 LYS 27 OK 35 97 - 36 - 4208/2.9=6, 4212/2.9=5...(9) QD TYR 28 + HD3 LYS 27 OK 29 63 - 47 - 4666/3.8=15, ~4215=10...(6) HD1 TRP 51 + HD3 LYS 27 OK 27 93 - 29 - 4208/2.9=4, 4212/2.9=4...(10) HZ PHE 52 - HD3 LYS 27 OK 23 76 - 30 - 4201/4.9=7, 4209/1.8=6...(7) HD1 TRP 51 - HG2 ARG 34 lone 4 47 - 8 - 4615/3.0=2, 5.1/4211=1, ~4619=1 QE PHE 23 - HG2 ARG 34 lone 2 41 - 5 - HZ PHE 52 - HG2 ARG 34 lone 2 35 - 5 - 4249/4332=2 QD TYR 57 - HG2 ARG 34 lone 1 51 - 3 - QD TYR 28 - HG2 ARG 34 lone 1 28 - 3 - Peak 4211 from cnoeabs.peaks (6.96, 1.33, 28.52 ppm; 5.05 A): 2 out of 4 assignments used, quality = 0.84: HZ PHE 23 + HD3 LYS 27 OK 82 87 - 95 - 2.2/4652=32, 4647/3.0=29...(15) HE3 TRP 51 + HD3 LYS 27 OK 12 100 - 12 - 4203/4.9=4, 4865/3.0=4 HE3 TRP 51 - HG2 ARG 34 lone 5 55 - 10 - 4725/3.0=6, 4675/4.0=1 HZ PHE 23 - HG2 ARG 34 lone 2 42 - 4 - Peak 4212 from cnoeabs.peaks (7.16, 1.16, 24.91 ppm; 5.29 A): 3 out of 5 assignments used, quality = 0.95: QE PHE 23 + HG3 LYS 27 OK 82 85 - 97 - 4641/3.8=33, 4652/2.9=32...(15) QD TYR 28 + HG3 LYS 27 OK 53 63 - 84 - ~4207=21, ~4670=19...(11) QD TYR 57 + HG3 LYS 27 OK 43 97 - 44 - 4208/1.8=9, 4204/3.0=7...(10) HD1 TRP 51 - HG3 LYS 27 OK 31 93 - 32 - 4208/1.8=6, 4210/2.9=5...(9) HZ PHE 52 - HG3 LYS 27 OK 27 76 - 35 - 4201/3.7=10, 4208/1.8=7...(7) Peak 4215 from cnoeabs.peaks (2.84, 6.79, 117.91 ppm; 4.84 A): 2 out of 2 assignments used, quality = 0.49: HD3 ARG 56 + QE TYR 28 OK 30 90 - 33 - 1.8/4669=12, 3.0/4671=9...(6) HE2 LYS 27 + QE TYR 28 OK 27 92 - 30 - 5.2/4207=18, 5.2/4217=11 Peak 4216 from cnoeabs.peaks (1.56, 6.79, 117.91 ppm; 4.95 A): 3 out of 8 assignments used, quality = 0.85: HB3 LYS 27 + QE TYR 28 OK 77 92 - 84 - 4207=40, 4666/2.2=34...(8) HD2 LYS 58 + QE TYR 28 OK 18 69 - 26 - 3.0/4668=6, 3.0/4668=6...(6) HD3 LYS 58 + QE TYR 28 OK 18 69 - 26 - 3.0/4668=6, 3.0/4668=6...(6) HG3 LYS 39 - QE TYR 28 poor 9 79 - 11 - 1.8/4671=3, 4666/2.2=2...(5) HG LEU 37 - QE TYR 28 lone 4 92 - 4 - 4666/2.2=1 HG2 LYS 49 - QE TYR 28 lone 3 87 - 4 - QB ALA 31 - QE TYR 28 lone 2 92 - 2 - HG3 ARG 34 - QE TYR 28 lone 2 60 - 3 - Peak 4217 from cnoeabs.peaks (1.43, 6.79, 117.91 ppm; 5.00 A): 4 out of 9 assignments used, quality = 0.82: HB2 LYS 27 + QE TYR 28 OK 69 87 - 80 - 1.8/4207=34, ~4666=28...(7) HG3 ARG 56 + QE TYR 28 OK 23 60 - 39 - 3.0/4215=18, 3.0/4669=10...(4) HG3 LYS 58 + QE TYR 28 OK 15 57 - 25 - 3.9/4668=5, 3.9/4668=5...(6) HG2 LYS 39 + QE TYR 28 OK 10 92 - 11 - 1.8/4216=3, 4667/2.2=2...(5) HB3 LEU 41 - QE TYR 28 lone 4 92 - 5 - 4462/4672=2, 4667/2.2=1 HG2 LYS 62 - QE TYR 28 lone 4 91 - 5 - HG3 LYS 62 - QE TYR 28 lone 4 91 - 5 - HG3 LYS 60 - QE TYR 28 lone 4 92 - 4 - HG2 LYS 60 - QE TYR 28 lone 4 92 - 4 - Peak 4221 from cnoeabs.peaks (1.57, 1.24, 44.31 ppm; 4.45 A): 2 out of 9 assignments used, quality = 0.96: HG3 ARG 34 + HB2 LEU 29 OK 83 96 - 87 - 4330/3.1=25, 4.9/4245=21...(15) HG LEU 37 + HB2 LEU 29 OK 76 93 - 82 - ~4376=22, ~4379=20...(15) HG2 LYS 49 - HB2 LEU 29 OK 30 100 - 30 - 3.0/4585=7, 3.0/4584=5...(8) QB ALA 31 - HB2 LEU 29 OK 21 90 - 23 - 4283/4245=8, 3.8/4237=5...(6) HB3 LYS 27 - HB2 LEU 29 lone 8 93 - 9 - 4.0/592=3, 3.0/1602=2 HB3 LEU 43 - HB2 LEU 29 poor 7 60 - 11 - 4.0/683=2, ~2229=2...(5) HG3 ARG 61 - HB2 LEU 29 lone 3 81 - 4 - HG2 ARG 61 - HB2 LEU 29 lone 3 78 - 4 - HG3 LYS 39 - HB2 LEU 29 lone 1 60 - 2 - Peak 4222 from cnoeabs.peaks (1.87, 1.24, 44.31 ppm; 3.86 A): 2 out of 6 assignments used, quality = 0.98: HB2 GLU 33 + HB2 LEU 29 OK 88 97 - 91 - 4306/3.1=26, 4307/3.1=22...(19) HB3 ARG 34 + HB2 LEU 29 OK 84 95 - 89 - 3.9/4245=20, 4327/3.1=19...(21) HB3 LYS 49 - HB2 LEU 29 OK 29 98 - 29 - 4585=6, 1.8/4584=5...(10) HG LEU 41 - HB2 LEU 29 OK 10 100 - 10 - 4227/3.0=2, 4225/1.8=2...(4) HB2 LYS 42 - HB2 LEU 29 lone 7 87 - 8 - 4225/1.8=2, 4227/3.0=1 HG2 ARG 21 - HB2 LEU 29 lone 4 95 - 5 - Peak 4223 from cnoeabs.peaks (2.30, 1.24, 44.31 ppm; 3.99 A): 4 out of 8 assignments used, quality = 1.00: HB3 GLU 33 + HB2 LEU 29 OK 86 93 - 92 - 1.8/4308=19, ~4306=19...(21) HG3 GLN 26 + HB2 LEU 29 OK 73 93 - 79 - 4194/3.1=14, ~4196=11...(21) HG2 GLN 26 + HB2 LEU 29 OK 72 92 - 79 - 4194/3.1=14, ~4196=11...(21) HG2 GLU 33 + HB2 LEU 29 OK 70 83 - 84 - 4312/3.1=16, 3.0/4308=15...(21) HB3 PRO 32 - HB2 LEU 29 OK 44 100 - 44 - 4296=9, 4310/3.1=7...(13) HG2 GLN 15 - HB2 LEU 29 OK 34 100 - 34 - 4024/1.8=7, 4025/3.0=5...(10) HG2 GLU 18 - HB2 LEU 29 poor 7 65 - 11 - ~4093=3, 4091/3.0=2...(4) HG2 GLU 67 - HB2 LEU 29 lone 1 76 - 1 - Peak 4224 from cnoeabs.peaks (1.58, 1.46, 44.31 ppm; 4.47 A): 2 out of 9 assignments used, quality = 0.96: HG3 ARG 34 + HB3 LEU 29 OK 87 99 - 88 - 4330/3.1=26, 4.9/4246=20...(16) HG LEU 37 + HB3 LEU 29 OK 71 87 - 82 - ~4376=22, ~4379=20...(16) HG2 LYS 49 - HB3 LEU 29 OK 31 99 - 31 - ~4585=5, 4221/1.8=5...(9) QB ALA 31 - HB3 LEU 29 OK 20 83 - 24 - 4283/4246=7, 3.8/4238=6...(6) HB3 LEU 43 - HB3 LEU 29 poor 10 71 - 14 - 4.0/685=3, 3.0/2229=3...(7) HB3 LYS 27 - HB3 LEU 29 lone 6 87 - 7 - ~1602=1, 4221/1.8=1, 4666/4667=1 HG3 ARG 21 - HB3 LEU 29 lone 5 68 - 6 - HG3 ARG 61 - HB3 LEU 29 lone 4 89 - 4 - HG2 ARG 61 - HB3 LEU 29 lone 4 87 - 4 - Peak 4225 from cnoeabs.peaks (1.88, 1.46, 44.31 ppm; 4.00 A): 2 out of 6 assignments used, quality = 0.99: HB2 GLU 33 + HB3 LEU 29 OK 93 99 - 94 - 4306/3.1=29, 4307/3.1=25...(20) HB3 ARG 34 + HB3 LEU 29 OK 80 89 - 90 - 3.9/4246=19, 4327/3.1=18...(21) HB3 LYS 49 - HB3 LEU 29 OK 27 100 - 28 - 4585/1.8=6, ~4584=4...(9) HG LEU 41 - HB3 LEU 29 OK 13 98 - 13 - 4227/3.0=2, 4222/1.8=2...(5) HB2 LYS 42 - HB3 LEU 29 OK 11 93 - 11 - 4.7/685=2, 4468/4033=2...(5) HG2 ARG 21 - HB3 LEU 29 lone 5 89 - 5 - Peak 4226 from cnoeabs.peaks (2.30, 1.46, 44.31 ppm; 4.52 A): 6 out of 8 assignments used, quality = 1.00: HG3 GLN 26 + HB3 LEU 29 OK 86 97 - 88 - 4194/3.1=18, ~4196=15...(20) HG2 GLN 26 + HB3 LEU 29 OK 85 97 - 88 - 4194/3.1=18, ~4196=15...(20) HB3 GLU 33 + HB3 LEU 29 OK 84 87 - 96 - 1.8/4309=25, ~4306=24...(21) HG2 GLU 33 + HB3 LEU 29 OK 67 73 - 91 - 3.0/4309=20, ~4313=20...(20) HB3 PRO 32 + HB3 LEU 29 OK 50 98 - 52 - 4296/1.8=10, 4295=9...(13) HG2 GLN 15 + HB3 LEU 29 OK 45 100 - 45 - 3.5/4033=7, 3.5/4037=7...(11) HG2 GLU 18 - HB3 LEU 29 OK 11 76 - 14 - ~4093=3, 4091/3.0=2...(5) HG2 GLU 67 - HB3 LEU 29 lone 1 85 - 2 - Peak 4227 from cnoeabs.peaks (1.87, 0.74, 26.77 ppm; 3.98 A): 2 out of 6 assignments used, quality = 0.98: HB2 GLU 33 + HG LEU 29 OK 86 97 - 90 - 4306/2.1=35, 4307/2.1=28...(16) HB3 ARG 34 + HG LEU 29 OK 84 95 - 89 - 4327/2.1=24, ~4325=19...(20) HB3 LYS 49 - HG LEU 29 OK 23 98 - 24 - 4585/3.0=5, 4234/2.1=4...(8) HG LEU 41 - HG LEU 29 OK 17 100 - 17 - 3.7/2098=3, 5.2/669=3...(6) HB2 LYS 42 - HG LEU 29 OK 11 87 - 13 - 4.0/186=3, 4.7/4471=2...(5) HG2 ARG 21 - HG LEU 29 lone 5 95 - 6 - Peak 4228 from cnoeabs.peaks (1.69, 0.15, 26.45 ppm; 4.90 A): 3 out of 14 assignments used, quality = 0.99: HG3 LYS 22 + QD1 LEU 29 OK 93 99 - 94 - 4810=45, 4155/2.1=44...(12) HB2 LEU 37 + QD1 LEU 29 OK 77 81 - 95 - 3.1/4376=40, 1.8/4372=39...(16) HG2 LYS 22 + QD1 LEU 29 OK 54 60 - 90 - 1.8/4810=38, ~4155=33...(11) HG13 ILE 50 - QD1 LEU 29 OK 22 99 - 22 - 3.2/4231=8, ~4232=5...(5) HD3 LYS 49 - QD1 LEU 29 OK 17 89 - 19 - 3.0/4892=5, 3.7/4229=4...(7) HD2 LYS 49 - QD1 LEU 29 OK 17 87 - 19 - 3.0/4892=5, 3.7/4229=4...(7) HB2 LEU 64 - QD1 LEU 29 lone 7 73 - 9 - 4373=2, 3.1/4231=2...(4) HD2 LYS 39 - QD1 LEU 29 lone 4 98 - 4 - HD3 LYS 39 - QD1 LEU 29 lone 4 98 - 4 - HD3 LYS 42 - QD1 LEU 29 lone 3 71 - 5 - 3.8/4229=1 HD2 LYS 62 - QD1 LEU 29 lone 3 92 - 3 - HD3 LYS 62 - QD1 LEU 29 lone 3 90 - 3 - HD2 LYS 60 - QD1 LEU 29 lone 3 95 - 3 - HD3 LYS 60 - QD1 LEU 29 lone 3 92 - 3 - Peak 4229 from cnoeabs.peaks (1.87, 0.15, 26.45 ppm; 4.73 A): 2 out of 6 assignments used, quality = 1.00: HB2 GLU 33 + QD1 LEU 29 OK 94 97 - 98 - 4307=47, 4306/2.1=43...(18) HB3 ARG 34 + QD1 LEU 29 OK 93 95 - 99 - 4327=43, 3.0/4326=43...(21) HB3 LYS 49 - QD1 LEU 29 OK 35 98 - 35 - 4585/3.1=7, 4234/2.1=5...(11) HG LEU 41 - QD1 LEU 29 OK 20 100 - 20 - 4460/4379=9, 4227/2.1=3...(6) HB2 LYS 42 - QD1 LEU 29 lone 9 87 - 10 - 4227/2.1=2, 4225/3.1=2...(4) HG2 ARG 21 - QD1 LEU 29 lone 7 95 - 7 - 4227/2.1=1, 4234/2.1=1 Peak 4230 from cnoeabs.peaks (0.99, 0.15, 26.45 ppm; 3.66 A): 3 out of 3 assignments used, quality = 0.83: QD1 LEU 37 + QD1 LEU 29 OK 58 73 - 79 - 2.1/4376=32, 4379=21...(17) QG1 VAL 48 + QD1 LEU 29 OK 55 97 - 57 - 4581=39, 4329/4330=5...(10) QG2 VAL 16 + QD1 LEU 29 OK 11 65 - 16 - 4581=6, 4825/4826=4...(4) Peak 4231 from cnoeabs.peaks (0.92, 0.15, 26.45 ppm; 3.97 A): 2 out of 3 assignments used, quality = 0.93: QD2 LEU 37 + QD1 LEU 29 OK 91 100 - 91 - 4376=48, 2.1/4379=33...(18) QG2 ILE 50 + QD1 LEU 29 OK 24 99 - 24 - 4232/2.1=7, 3.2/4240=3...(10) QD1 LEU 64 - QD1 LEU 29 lone 5 93 - 5 - 4232/2.1=2, 3.1/4373=1 Peak 4232 from cnoeabs.peaks (0.92, 0.46, 23.31 ppm; 3.96 A): 3 out of 4 assignments used, quality = 0.93: QD2 LEU 37 + QD2 LEU 29 OK 87 99 - 87 - 4376/2.1=37, ~4379=21...(24) QG2 ILE 50 + QD2 LEU 29 OK 29 97 - 30 - 4231/2.1=7, 4154/4155=3...(13) QG2 VAL 48 + QD2 LEU 29 OK 29 63 - 47 - ~4581=21, ~4230=11...(12) QD1 LEU 64 - QD2 LEU 29 lone 6 87 - 7 - 4231/2.1=2 Peak 4233 from cnoeabs.peaks (1.68, 0.46, 23.31 ppm; 3.85 A): 2 out of 13 assignments used, quality = 0.98: HG3 LYS 22 + QD2 LEU 29 OK 91 100 - 91 - 4155=38, 1.8/4153=31...(13) HB2 LEU 37 + QD2 LEU 29 OK 74 96 - 77 - 4373/2.1=19, ~4372=17...(17) HG13 ILE 50 - QD2 LEU 29 OK 13 90 - 14 - 3.2/4232=5, ~4231=3...(5) HD3 LYS 49 - QD2 LEU 29 poor 7 68 - 11 - 3.7/4234=3, ~4892=2...(5) HD2 LYS 49 - QD2 LEU 29 poor 7 65 - 11 - 3.7/4234=3, ~4892=2...(5) HB2 LEU 64 - QD2 LEU 29 lone 5 92 - 5 - 4373/2.1=1, 3.1/4232=1 HD2 LYS 39 - QD2 LEU 29 lone 3 87 - 3 - HD3 LYS 39 - QD2 LEU 29 lone 3 87 - 3 - HD3 LYS 42 - QD2 LEU 29 lone 2 90 - 2 - HD2 LYS 62 - QD2 LEU 29 lone 2 99 - 2 - HD3 LYS 62 - QD2 LEU 29 lone 2 99 - 2 - HD2 LYS 60 - QD2 LEU 29 lone 2 100 - 2 - HD3 LYS 60 - QD2 LEU 29 lone 2 99 - 2 - Peak 4234 from cnoeabs.peaks (1.88, 0.46, 23.31 ppm; 3.85 A): 2 out of 6 assignments used, quality = 0.98: HB2 GLU 33 + QD2 LEU 29 OK 95 100 - 95 - 4306=46, 4307/2.1=28...(18) HB3 ARG 34 + QD2 LEU 29 OK 68 78 - 88 - ~4325=18, 3.9/4315=18...(20) HB3 LYS 49 - QD2 LEU 29 OK 25 100 - 25 - 4585/3.1=5, 4227/2.1=3...(11) HG LEU 41 - QD2 LEU 29 OK 11 93 - 11 - 4227/2.1=2, 4229/2.1=2...(4) HB2 LYS 42 - QD2 LEU 29 lone 7 98 - 7 - 4227/2.1=2, 4225/3.1=1 HG2 ARG 21 - QD2 LEU 29 lone 5 78 - 6 - Peak 4235 from cnoeabs.peaks (2.00, 0.46, 23.31 ppm; 4.05 A): 5 out of 7 assignments used, quality = 0.95: HB2 GLN 26 + QD2 LEU 29 OK 69 89 - 78 - 4.6/4196=22, 4.6/4195=21...(11) HB3 GLN 26 + QD2 LEU 29 OK 69 89 - 78 - 4.6/4196=22, 4.6/4195=21...(11) HG2 PRO 32 + QD2 LEU 29 OK 26 73 - 36 - 2.3/4310=9, 5.0/4254=5...(11) HB2 GLU 18 + QD2 LEU 29 OK 14 97 - 14 - ~4093=2, 4089/2.1=2...(6) HB3 GLU 18 + QD2 LEU 29 OK 14 97 - 14 - ~4093=2, 4089/2.1=2...(6) HB2 MET 11 - QD2 LEU 29 lone 2 98 - 3 - HB3 GLN 63 - QD2 LEU 29 lone 2 98 - 2 - Peak 4236 from cnoeabs.peaks (2.29, 0.46, 23.31 ppm; 3.58 A): 3 out of 7 assignments used, quality = 0.98: HG3 GLN 26 + QD2 LEU 29 OK 81 100 - 81 - 3.5/4196=24, 4194=23...(17) HG2 GLN 26 + QD2 LEU 29 OK 81 100 - 81 - 3.5/4196=24, 4194=23...(17) HB3 GLU 33 + QD2 LEU 29 OK 57 65 - 87 - 1.8/4306=30, 3.0/4313=17...(21) HB3 PRO 32 - QD2 LEU 29 OK 29 87 - 33 - 3.6/4254=5, 4310=4...(14) HG2 GLN 15 - QD2 LEU 29 OK 28 99 - 29 - 4025/2.1=5, 4024/3.1=4...(12) HG2 GLU 18 - QD2 LEU 29 OK 13 93 - 14 - 4091/2.1=3, ~4093=3...(5) HG2 GLU 67 - QD2 LEU 29 lone 1 97 - 1 - Peak 4237 from cnoeabs.peaks (3.79, 1.24, 44.31 ppm; 4.96 A): 2 out of 5 assignments used, quality = 0.99: HA ARG 34 + HB2 LEU 29 OK 98 100 - 98 - 4326/3.1=44, 2.9/4245=38...(20) HD3 PRO 32 + HB2 LEU 29 OK 47 97 - 49 - 3.0/4296=9, 4238/1.8=9...(12) HA GLN 15 - HB2 LEU 29 OK 41 100 - 41 - 4019/3.0=11, 4238/1.8=9...(9) HA ILE 50 - HB2 LEU 29 OK 21 92 - 22 - 4240/3.1=4, 4242/3.1=4...(6) HA THR 14 - HB2 LEU 29 lone 7 73 - 9 - 4240/3.1=2, 4238/1.8=1...(4) Peak 4238 from cnoeabs.peaks (3.80, 1.46, 44.31 ppm; 4.80 A): 3 out of 5 assignments used, quality = 0.99: HA ARG 34 + HB3 LEU 29 OK 97 99 - 99 - 4326/3.1=42, 2.9/4246=33...(23) HD3 PRO 32 + HB3 LEU 29 OK 48 100 - 48 - 4237/1.8=8, 4240/3.1=7...(13) HA GLN 15 + HB3 LEU 29 OK 45 100 - 45 - 4019/3.0=11, 4237/1.8=7...(11) HA ILE 50 - HB3 LEU 29 OK 15 73 - 21 - 4240/3.1=4, ~4231=4...(6) HA THR 14 - HB3 LEU 29 lone 8 92 - 8 - 4240/3.1=2, 4237/1.8=1...(4) Peak 4239 from cnoeabs.peaks (3.79, 0.74, 26.77 ppm; 5.12 A): 3 out of 5 assignments used, quality = 1.00: HA ARG 34 + HG LEU 29 OK 99 100 - 99 - 4326/2.1=50, 4320/2.1=36...(21) HA GLN 15 + HG LEU 29 OK 57 100 - 57 - 4019=12, 4240/2.1=8...(11) HD3 PRO 32 + HG LEU 29 OK 47 97 - 49 - 4240/2.1=9, ~4310=8...(11) HA ILE 50 - HG LEU 29 OK 24 92 - 26 - ~4231=5, ~4232=5...(6) HA THR 14 - HG LEU 29 poor 9 73 - 12 - 4240/2.1=2, 4242/2.1=2...(5) Peak 4240 from cnoeabs.peaks (3.79, 0.15, 26.45 ppm; 3.75 A): 1 out of 5 assignments used, quality = 0.96: HA ARG 34 + QD1 LEU 29 OK 96 100 - 96 - 4326=50, 2.9/4316=23...(27) HD3 PRO 32 - QD1 LEU 29 OK 33 99 - 33 - ~4310=4, 4238/3.1=4...(16) HA GLN 15 - QD1 LEU 29 OK 31 100 - 31 - 4019/2.1=9, 4238/3.1=4...(8) HA ILE 50 - QD1 LEU 29 OK 18 85 - 21 - 3.2/4231=5, ~4232=3...(10) HA THR 14 - QD1 LEU 29 lone 8 83 - 10 - 3.6/4248=3 Peak 4241 from cnoeabs.peaks (4.07, 0.46, 23.31 ppm; 5.11 A): 2 out of 8 assignments used, quality = 0.99: HA GLU 33 + QD2 LEU 29 OK 98 100 - 98 - 3.0/4306=41, 4305=40...(18) HA LEU 37 + QD2 LEU 29 OK 76 99 - 77 - ~4372=24, ~4373=22...(11) HA ARG 56 - QD2 LEU 29 OK 20 96 - 21 - 3.0/4250=6, ~4247=4...(7) HA ARG 21 - QD2 LEU 29 OK 15 100 - 15 - 3.6/4255=9 HB THR 14 - QD2 LEU 29 OK 12 76 - 15 - 4.2/4252=7, 3.0/4242=1, ~4240=1 HA LYS 39 - QD2 LEU 29 poor 10 93 - 10 - 4305=3, 3.6/4255=2 HA SER 24 - QD2 LEU 29 lone 8 97 - 8 - 3.6/4251=5 HB THR 46 - QD2 LEU 29 lone 7 99 - 7 - 4.5/4255=2, ~2312=1 Peak 4242 from cnoeabs.peaks (3.78, 0.46, 23.31 ppm; 4.82 A): 1 out of 6 assignments used, quality = 0.98: HA ARG 34 + QD2 LEU 29 OK 98 99 - 99 - 4326/2.1=48, 2.9/4315=33...(25) HA GLN 15 - QD2 LEU 29 OK 44 97 - 45 - 4019/2.1=12, 3.0/4252=8...(8) HD3 PRO 32 - QD2 LEU 29 OK 44 90 - 49 - 3.0/4310=11, 4240/2.1=8...(13) HA PHE 52 - QD2 LEU 29 OK 33 65 - 51 - 3.7/4250=23, 5.6/4724=20...(4) HA ILE 50 - QD2 LEU 29 OK 31 97 - 31 - 3.2/4232=8, ~4231=5...(9) HA THR 14 - QD2 LEU 29 OK 10 60 - 17 - 3.6/4252=7, 4240/2.1=2...(5) Peak 4243 from cnoeabs.peaks (2.94, 0.46, 23.31 ppm; 4.29 A): 2 out of 2 assignments used, quality = 0.94: HE3 LYS 22 + QD2 LEU 29 OK 92 99 - 93 - 4811=49, 1.8/4778=44...(9) HB2 TYR 28 + QD2 LEU 29 OK 28 100 - 28 - 4.7/608=21, 3.9/4252=6, ~4667=2 Peak 4244 from cnoeabs.peaks (2.81, 0.46, 23.31 ppm; 4.10 A): 1 out of 1 assignment used, quality = 0.90: HE2 LYS 22 + QD2 LEU 29 OK 90 100 - 91 - 4778=49, 1.8/4811=36...(10) Peak 4245 from cnoeabs.peaks (8.73, 1.24, 44.31 ppm; 4.48 A): 1 out of 1 assignment used, quality = 0.96: H ARG 34 + HB2 LEU 29 OK 96 100 - 96 - 4246/1.8=35, 4316/3.1=31...(19) Peak 4246 from cnoeabs.peaks (8.73, 1.46, 44.31 ppm; 4.78 A): 1 out of 1 assignment used, quality = 0.97: H ARG 34 + HB3 LEU 29 OK 97 100 - 97 - 4245/1.8=43, 4316/3.1=35...(19) Peak 4247 from cnoeabs.peaks (7.74, 0.15, 26.45 ppm; 5.19 A): 2 out of 3 assignments used, quality = 0.88: QD PHE 52 + QD1 LEU 29 OK 85 99 - 86 - 2.2/4708=34, 3.8/4648=32...(8) H ARG 56 + QD1 LEU 29 OK 20 99 - 20 - 4250/2.1=5, 775/3.1=3...(9) H THR 59 - QD1 LEU 29 lone 4 90 - 4 - Peak 4248 from cnoeabs.peaks (7.54, 0.15, 26.45 ppm; 4.54 A): 3 out of 5 assignments used, quality = 0.94: QE PHE 52 + QD1 LEU 29 OK 91 99 - 92 - 4724/2.1=36, 4708=35...(11) H GLN 15 + QD1 LEU 29 OK 19 60 - 31 - 3.0/4240=7, ~4019=6...(10) H GLU 18 + QD1 LEU 29 OK 12 90 - 13 - 4099/4826=3, 4391/4376=3...(5) H TYR 57 - QD1 LEU 29 lone 5 63 - 8 - 4.6/4247=4, 4.4/4249=1 HE21 GLN 63 - QD1 LEU 29 lone 3 100 - 3 - Peak 4249 from cnoeabs.peaks (7.17, 0.15, 26.45 ppm; 4.67 A): 2 out of 3 assignments used, quality = 0.93: HZ PHE 52 + QD1 LEU 29 OK 89 99 - 90 - 4648=41, 4647/2.1=36...(13) QE PHE 23 + QD1 LEU 29 OK 36 100 - 36 - 4254/2.1=8, 4634/4248=5...(11) QD TYR 57 - QD1 LEU 29 lone 6 68 - 9 - 4715/4776=2, 4145/4810=2...(4) Peak 4250 from cnoeabs.peaks (7.76, 0.46, 23.31 ppm; 4.99 A): 2 out of 2 assignments used, quality = 0.84: QD PHE 52 + QD2 LEU 29 OK 81 96 - 85 - 2.2/4724=42, ~4708=33...(8) H ARG 56 + QD2 LEU 29 OK 17 96 - 18 - 4247/2.1=5, 775/3.1=3...(7) Peak 4251 from cnoeabs.peaks (7.64, 0.46, 23.31 ppm; 3.88 A): 2 out of 3 assignments used, quality = 0.89: HE22 GLN 26 + QD2 LEU 29 OK 87 100 - 87 - 4196=49, 1.7/4195=37...(12) H HIS 25 + QD2 LEU 29 OK 13 99 - 13 - 4.6/1751=6, 877/4.8=2 HE22 GLN 47 - QD2 LEU 29 lone 4 71 - 5 - 4.6/4891=1 Peak 4252 from cnoeabs.peaks (7.50, 0.46, 23.31 ppm; 4.40 A): 3 out of 6 assignments used, quality = 0.83: QE PHE 52 + QD2 LEU 29 OK 62 71 - 87 - 2.2/4647=32, 4724=29...(10) H TYR 28 + QD2 LEU 29 OK 35 100 - 36 - 4.5/608=22, 3.9/4243=6...(6) H GLN 15 + QD2 LEU 29 OK 31 100 - 31 - ~4019=6, 3.0/4242=5...(11) HE22 GLN 53 - QD2 LEU 29 lone 5 100 - 5 - 6.4/4255=2 HD21 ASN 54 - QD2 LEU 29 lone 4 89 - 5 - 4596/4232=2, 4660/4232=1 HE21 GLN 63 - QD2 LEU 29 lone 1 63 - 2 - Peak 4253 from cnoeabs.peaks (7.41, 0.46, 23.31 ppm; 4.32 A): 1 out of 1 assignment used, quality = 0.89: HE21 GLN 26 + QD2 LEU 29 OK 89 100 - 90 - 4195=50, 1.7/4196=46...(11) Peak 4254 from cnoeabs.peaks (7.18, 0.46, 23.31 ppm; 4.23 A): 3 out of 3 assignments used, quality = 0.95: HZ PHE 52 + QD2 LEU 29 OK 87 100 - 87 - 4647=34, 2.2/4724=32...(13) H GLU 33 + QD2 LEU 29 OK 46 60 - 77 - 4.0/4306=25, 3.0/4305=21...(9) QE PHE 23 + QD2 LEU 29 OK 34 99 - 34 - 4249/2.1=8, 4634/4724=5...(9) Peak 4255 from cnoeabs.peaks (8.04, 0.46, 23.31 ppm; 6.00 A): 3 out of 7 assignments used, quality = 0.96: H LYS 22 + QD2 LEU 29 OK 89 99 - 91 - 5.1/4155=36, 5.1/4153=35...(11) H GLN 53 + QD2 LEU 29 OK 44 100 - 44 - 4.4/4250=30, 3.6/4242=5...(6) H LEU 37 + QD2 LEU 29 OK 36 60 - 60 - 4.5/4232=24, 4.0/4233=16...(6) H GLN 47 - QD2 LEU 29 OK 23 93 - 25 - 218/3.1=3, 4.0/4891=3...(10) H LEU 41 - QD2 LEU 29 OK 22 85 - 26 - 669/2.1=7, ~2098=5...(8) H ASN 40 - QD2 LEU 29 OK 18 83 - 22 - 4421/2.1=5, ~4424=4...(7) H ILE 17 - QD2 LEU 29 poor 8 63 - 13 - 1464/4159=2, 1434/4153=1...(6) Peak 4256 from cnoeabs.peaks (8.74, 0.15, 26.45 ppm; 5.17 A): 1 out of 1 assignment used, quality = 0.98: H ARG 34 + QD1 LEU 29 OK 98 98 - 99 - 4316=47, 2.9/4326=47...(16) Peak 4263 from cnoeabs.peaks (2.31, 4.01, 64.90 ppm; 5.02 A): 2 out of 7 assignments used, quality = 0.96: HB3 PRO 32 + HB2 SER 30 OK 92 100 - 93 - 3.0/4291=42, ~4265=28...(12) HB3 GLU 33 + HB2 SER 30 OK 42 97 - 43 - 4302/4.0=17, 4267/1.8=10...(6) HG2 GLU 33 - HB2 SER 30 OK 41 90 - 46 - 4303/4.0=23, 4267/1.8=9...(7) HG3 GLN 26 - HB2 SER 30 poor 10 87 - 11 - 4262/4.0=3, 4188/3.0=2...(4) HG2 GLN 26 - HB2 SER 30 poor 9 85 - 11 - 4262/4.0=3, 4188/3.0=2...(5) HG2 GLN 15 - HB2 SER 30 lone 5 98 - 5 - 3.8/4867=1 HG2 GLU 67 - HB2 SER 30 lone 1 65 - 2 - Peak 4264 from cnoeabs.peaks (1.55, 4.01, 64.90 ppm; 4.94 A): 1 out of 7 assignments used, quality = 0.81: QB ALA 31 + HB2 SER 30 OK 81 97 - 84 - 3.8/4291=36, 4282/3.0=33...(7) HG LEU 37 - HB2 SER 30 poor 10 95 - 11 - 4269/1.8=3, 4289/4291=3 HD2 LYS 58 - HB2 SER 30 lone 7 99 - 7 - 4269/1.8=2, ~4269=2 HD3 LYS 58 - HB2 SER 30 lone 7 99 - 7 - 4269/1.8=2, ~4269=2 HG2 LYS 49 - HB2 SER 30 lone 7 73 - 9 - 4269/1.8=3, ~4268=2, 4289/4291=2 HB3 LYS 27 - HB2 SER 30 lone 7 95 - 7 - 4269/1.8=2, ~4265=2 HG3 LYS 39 - HB2 SER 30 lone 4 100 - 4 - 4269/1.8=1 Peak 4265 from cnoeabs.peaks (3.91, 4.22, 64.90 ppm; 3.78 A): 1 out of 5 assignments used, quality = 0.87: HD2 PRO 32 + HB3 SER 30 OK 87 100 - 87 - 4291/1.8=35, 4292=22...(13) HA LYS 27 - HB3 SER 30 lone 5 97 - 5 - 4202/4627=1, 3.0/4269=1 HA THR 46 - HB3 SER 30 lone 4 98 - 4 - 4270/4.4=1 HA GLN 53 - HB3 SER 30 lone 2 71 - 3 - ~1040=1 HB2 SER 65 - HB3 SER 30 lone 1 87 - 1 - Peak 4266 from cnoeabs.peaks (3.80, 4.22, 64.90 ppm; 4.21 A): 2 out of 5 assignments used, quality = 0.95: HD3 PRO 32 + HB3 SER 30 OK 91 100 - 91 - 1.8/4265=38, ~4291=29...(12) HA ARG 34 + HB3 SER 30 OK 46 96 - 48 - 4866/3.0=11, 4867/1.8=10...(9) HA GLN 15 - HB3 SER 30 lone 5 99 - 5 - 4867/1.8=2, 4866/3.0=1 HA THR 14 - HB3 SER 30 lone 4 97 - 4 - 4867/1.8=1 HA ILE 50 - HB3 SER 30 lone 1 63 - 2 - Peak 4267 from cnoeabs.peaks (2.32, 4.22, 64.90 ppm; 5.08 A): 3 out of 6 assignments used, quality = 0.99: HB3 PRO 32 + HB3 SER 30 OK 93 99 - 94 - 3.0/4265=39, 2.3/4268=33...(14) HB3 GLU 33 + HB3 SER 30 OK 56 100 - 56 - 4302/4.0=18, ~4784=9...(9) HG2 GLU 33 + HB3 SER 30 OK 53 99 - 54 - 4303/4.0=27, 4263/1.8=8...(9) HG3 GLN 26 - HB3 SER 30 poor 8 65 - 12 - 4262/4.0=3, ~4188=2...(5) HG2 GLN 26 - HB3 SER 30 poor 7 63 - 12 - 4262/4.0=3, ~4188=2...(5) HG2 GLN 15 - HB3 SER 30 lone 5 87 - 5 - 3.8/4266=1, 4263/1.8=1 Peak 4268 from cnoeabs.peaks (2.12, 4.22, 64.90 ppm; 5.18 A): 1 out of 2 assignments used, quality = 0.80: HG3 PRO 32 + HB3 SER 30 OK 80 87 - 93 - 2.3/4265=42, ~4291=37...(11) HB2 LYS 49 - HB3 SER 30 lone 9 97 - 9 - 3.0/4269=3, 3779/4265=2, ~4264=1 Peak 4269 from cnoeabs.peaks (1.55, 4.22, 64.90 ppm; 4.84 A): 2 out of 7 assignments used, quality = 0.85: QB ALA 31 + HB3 SER 30 OK 83 100 - 83 - 4282/3.0=34, 3.8/4265=32...(10) HG LEU 37 + HB3 SER 30 OK 11 100 - 12 - 4289/4265=3, 4264/1.8=3...(4) HG2 LYS 49 - HB3 SER 30 lone 9 90 - 10 - 3.0/4268=3, 4264/1.8=2 HB3 LYS 27 - HB3 SER 30 lone 7 100 - 7 - 4264/1.8=2, 3.0/4265=2 HD2 LYS 58 - HB3 SER 30 lone 7 92 - 8 - 4264/1.8=2, ~4264=2 HD3 LYS 58 - HB3 SER 30 lone 7 92 - 8 - 4264/1.8=2, ~4264=2 HG3 LYS 39 - HB3 SER 30 lone 3 97 - 3 - 4264/1.8=1 Peak 4273 from cnoeabs.peaks (3.91, 1.56, 15.32 ppm; 3.49 A): 1 out of 6 assignments used, quality = 0.96: HD2 PRO 32 + QB ALA 31 OK 96 100 - 96 - 3.8=78, 1.8/4274=27...(14) HA THR 46 - QB ALA 31 lone 8 97 - 9 - 2.9/4284=2, ~3725=2...(4) HA LYS 27 - QB ALA 31 lone 2 97 - 2 - HA GLN 53 - QB ALA 31 lone 2 73 - 2 - HB2 SER 65 - QB ALA 31 lone 1 89 - 1 - HB2 SER 66 - QB ALA 31 lone 0 60 - 1 - Peak 4274 from cnoeabs.peaks (3.80, 1.56, 15.32 ppm; 2.92 A): 2 out of 5 assignments used, quality = 0.88: HD3 PRO 32 + QB ALA 31 OK 79 100 - 79 - 3.8=45, 1.8/4273=22...(13) HA ARG 34 + QB ALA 31 OK 42 95 - 45 - 2.9/4283=8, ~3720=7...(12) HA GLN 15 - QB ALA 31 lone 2 98 - 2 - HA THR 14 - QB ALA 31 lone 1 97 - 1 - HA ILE 50 - QB ALA 31 lone 1 60 - 1 - Peak 4275 from cnoeabs.peaks (2.32, 1.56, 15.32 ppm; 4.70 A): 2 out of 6 assignments used, quality = 0.94: HB3 PRO 32 + QB ALA 31 OK 91 99 - 92 - 3.0/4273=37, 2.3/4276=33...(15) HB3 GLU 33 + QB ALA 31 OK 39 100 - 39 - 4.6/4283=21, 4787/2.1=6...(8) HG2 GLU 33 - QB ALA 31 OK 24 99 - 25 - 3457/4283=9, ~3723=5...(7) HG3 GLN 26 - QB ALA 31 lone 4 65 - 6 - 1.8/4858=2 HG2 GLN 26 - QB ALA 31 lone 4 63 - 6 - 1.8/4858=2 HG2 GLN 15 - QB ALA 31 lone 3 87 - 3 - Peak 4276 from cnoeabs.peaks (2.10, 1.56, 15.32 ppm; 4.41 A): 1 out of 6 assignments used, quality = 0.92: HG3 PRO 32 + QB ALA 31 OK 92 100 - 92 - 2.3/4273=39, 2.3/4274=31...(12) HB2 GLU 67 - QB ALA 31 lone 7 95 - 7 - 4.7/4284=2, 1.8/4278=2, ~3721=1 HB2 LYS 49 - QB ALA 31 lone 5 63 - 7 - 3779/3.8=2 HB VAL 16 - QB ALA 31 lone 2 71 - 3 - 3663/4.5=1 HG3 GLU 45 - QB ALA 31 lone 2 63 - 3 - 4351/4284=1 HB2 GLN 63 - QB ALA 31 lone 1 78 - 1 - Peak 4278 from cnoeabs.peaks (1.96, 1.56, 15.32 ppm; 4.06 A): 4 out of 8 assignments used, quality = 0.91: HG2 PRO 32 + QB ALA 31 OK 75 83 - 90 - 2.3/4273=35, 2.3/4274=29...(12) HB2 ARG 34 + QB ALA 31 OK 45 76 - 60 - 3.9/4283=17, 3722/2.1=13...(8) HB3 ARG 21 + QB ALA 31 OK 22 99 - 22 - 3694/2.1=5, ~3721=4...(6) HB2 ARG 21 + QB ALA 31 OK 19 100 - 19 - 3694/2.1=4, ~4138=4...(5) HB3 GLU 67 - QB ALA 31 lone 7 100 - 6 - 1.8/4276=2, 4.7/4284=2 HD3 LYS 22 - QB ALA 31 lone 3 100 - 3 - HB ILE 50 - QB ALA 31 lone 2 71 - 2 - HD3 ARG 55 - QB ALA 31 lone 1 97 - 1 - Peak 4280 from cnoeabs.peaks (3.81, 4.21, 57.19 ppm; 4.66 A): 1 out of 1 assignment used, quality = 0.96: HD3 PRO 32 + HA ALA 31 OK 96 96 - 100 - 3.8=100 Peak 4281 from cnoeabs.peaks (4.39, 1.56, 15.32 ppm; 4.87 A): 1 out of 1 assignment used, quality = 0.96: HA PRO 32 + QB ALA 31 OK 96 96 - 100 - 4.5=100 Peak 4282 from cnoeabs.peaks (4.55, 1.56, 15.32 ppm; 4.73 A): 1 out of 1 assignment used, quality = 0.70: HA SER 30 + QB ALA 31 OK 70 100 - 71 - 4868/3.8=29, 3.0/4269=20...(6) Peak 4283 from cnoeabs.peaks (8.72, 1.56, 15.32 ppm; 5.32 A): 1 out of 1 assignment used, quality = 0.82: H ARG 34 + QB ALA 31 OK 82 99 - 83 - 3720/2.1=44, 3726/4.5=24...(14) Peak 4284 from cnoeabs.peaks (8.16, 1.56, 15.32 ppm; 5.06 A): 3 out of 4 assignments used, quality = 0.75: H ALA 35 + QB ALA 31 OK 68 97 - 70 - 4.6/4283=24, 3725/2.1=24...(9) H THR 46 + QB ALA 31 OK 15 83 - 18 - 3725/2.1=6, 2.9/4273=4...(5) H LEU 68 + QB ALA 31 OK 10 83 - 12 - 3725/2.1=3, 3727/4.5=2...(4) H ARG 61 - QB ALA 31 lone 5 97 - 5 - 3725/2.1=2, 3727/4.5=1 Peak 4285 from cnoeabs.peaks (9.18, 3.91, 50.04 ppm; 4.33 A): 1 out of 1 assignment used, quality = 0.98: H ALA 31 + HD2 PRO 32 OK 98 100 - 98 - 4.8=74, 2.9/4273=34...(15) Peak 4286 from cnoeabs.peaks (9.20, 3.80, 50.04 ppm; 4.38 A): 1 out of 1 assignment used, quality = 0.90: H ALA 31 + HD3 PRO 32 OK 90 92 - 98 - 4.8=76, 4285/1.8=35...(15) Peak 4289 from cnoeabs.peaks (1.55, 3.91, 50.04 ppm; 3.48 A): 1 out of 7 assignments used, quality = 0.95: QB ALA 31 + HD2 PRO 32 OK 95 99 - 96 - 3.8=77, 4274/1.8=27...(14) HG LEU 37 - HD2 PRO 32 OK 28 99 - 29 - 4290/1.8=7, 4297/2.3=4...(9) HG2 LYS 49 - HD2 PRO 32 OK 14 85 - 16 - 3.0/3779=4, 3.0/3781=3...(7) HD2 LYS 58 - HD2 PRO 32 lone 8 96 - 8 - 4290/1.8=2, 4297/2.3=1, ~4290=1 HD3 LYS 58 - HD2 PRO 32 lone 8 96 - 8 - 4290/1.8=2, 4297/2.3=1, ~4290=1 HB3 LYS 27 - HD2 PRO 32 lone 4 99 - 4 - HG3 LYS 39 - HD2 PRO 32 lone 2 99 - 2 - Peak 4290 from cnoeabs.peaks (1.55, 3.80, 50.04 ppm; 3.08 A): 2 out of 7 assignments used, quality = 0.86: QB ALA 31 + HD3 PRO 32 OK 81 97 - 84 - 3.8=53, 4273/1.8=23...(13) HG LEU 37 + HD3 PRO 32 OK 24 95 - 25 - 4289/1.8=5, 3.0/3743=3...(10) HG2 LYS 49 - HD3 PRO 32 lone 7 73 - 9 - 4289/1.8=2, ~3781=2...(4) HD2 LYS 58 - HD3 PRO 32 lone 6 99 - 6 - 4289/1.8=1 HD3 LYS 58 - HD3 PRO 32 lone 6 99 - 6 - 4289/1.8=1 HB3 LYS 27 - HD3 PRO 32 lone 2 95 - 2 - HG3 LYS 39 - HD3 PRO 32 lone 2 100 - 2 - Peak 4291 from cnoeabs.peaks (4.01, 3.91, 50.04 ppm; 3.89 A): 1 out of 2 assignments used, quality = 0.84: HB2 SER 30 + HD2 PRO 32 OK 84 100 - 84 - 1.8/4265=34, 3.0/4868=23...(12) HA TRP 51 - HD2 PRO 32 lone 1 100 - 1 - Peak 4292 from cnoeabs.peaks (4.21, 3.91, 50.04 ppm; 3.61 A): 2 out of 5 assignments used, quality = 1.00: HA ALA 31 + HD2 PRO 32 OK 98 100 - 98 - 3.8=88, 2.1/4273=31...(15) HB3 SER 30 + HD2 PRO 32 OK 86 98 - 88 - 4265=37, 1.8/4291=32...(13) HA GLU 18 - HD2 PRO 32 lone 5 81 - 6 - ~941=1, ~940=1 HA GLU 20 - HD2 PRO 32 lone 2 99 - 2 - HA ARG 61 - HD2 PRO 32 lone 2 63 - 3 - Peak 4293 from cnoeabs.peaks (4.22, 3.80, 50.04 ppm; 3.88 A): 1 out of 1 assignment used, quality = 0.98: HA ALA 31 + HD3 PRO 32 OK 98 98 - 100 - 3.8=100 Peak 4294 from cnoeabs.peaks (1.59, 4.38, 65.82 ppm; 4.74 A): 0 out of 18 assignments used, low quality = 0.24: HG3 ARG 34 - HA PRO 32 OK 24 98 - 24 - 4.9/3726=19, 144/980=4 HB3 LEU 43 - HA PRO 32 lone 9 99 - 9 - 3.0/3728=2, ~4296=1, 627/3726=1 HG3 ARG 21 - HA PRO 32 lone 7 98 - 7 - 3.0/1793=2, 3.0/1793=2 HG LEU 68 - HA PRO 32 lone 5 83 - 6 - 4.9/3727=2 HB2 LEU 41 - HA PRO 32 lone 4 78 - 5 - ~4444=1, 4442/2.3=1 HG3 ARG 61 - HA PRO 32 lone 4 100 - 4 - 4.9/3727=1 HG2 ARG 61 - HA PRO 32 lone 4 100 - 4 - 4.9/3727=1 HG2 LYS 49 - HA PRO 32 lone 3 73 - 4 - HG3 ARG 34 - HB2 SER 12 lone 3 68 - 4 - 4.9/3726=2 HG LEU 68 - HB2 SER 12 lone 3 53 - 5 - ~3657=1 HB2 LEU 41 - HB2 SER 12 lone 2 50 - 4 - 4.6/4741=2 HG3 ARG 21 - HB2 SER 12 lone 2 68 - 3 - HB3 LEU 64 - HA PRO 32 lone 2 78 - 2 - HB3 LEU 43 - HB2 SER 12 lone 2 69 - 2 - HB3 LEU 64 - HB2 SER 12 lone 2 50 - 3 - HG3 ARG 61 - HB2 SER 12 lone 1 73 - 2 - HG2 ARG 61 - HB2 SER 12 lone 1 73 - 2 - HG2 LYS 49 - HB2 SER 12 lone 1 46 - 2 - Peak 4295 from cnoeabs.peaks (1.47, 2.31, 30.88 ppm; 4.45 A): 3 out of 10 assignments used, quality = 0.97: HB3 LEU 29 + HB3 GLU 33 OK 89 92 - 96 - 4309/1.8=24, ~4306=24...(22) HB3 LEU 29 + HB3 PRO 32 OK 50 99 - 50 - 1.8/4296=10, 3.1/4310=8...(13) QB ALA 35 + HB3 PRO 32 OK 46 85 - 54 - 3729/2.3=25, ~980=15...(8) QB ALA 35 - HB3 GLU 33 OK 38 75 - 50 - 4363/1.8=18, 4346/4.6=16...(7) HG LEU 43 - HB3 GLU 33 OK 11 93 - 12 - 4309/1.8=3, ~4308=3...(4) HG LEU 43 - HB3 PRO 32 lone 10 100 - 9 - ~4294=2, 3.0/4296=2, 3728/2.3=2 HG3 LYS 58 - HB3 PRO 32 lone 5 95 - 5 - ~4297=1 HG3 ARG 56 - HB3 PRO 32 lone 2 93 - 2 - HG3 LYS 58 - HB3 GLU 33 lone 2 85 - 2 - HG3 ARG 56 - HB3 GLU 33 lone 2 84 - 2 - Peak 4296 from cnoeabs.peaks (1.24, 2.31, 30.88 ppm; 4.39 A): 3 out of 12 assignments used, quality = 0.94: HB2 LEU 29 + HB3 GLU 33 OK 87 92 - 95 - 4308/1.8=25, ~4306=23...(21) HB2 LEU 29 + HB3 PRO 32 OK 48 99 - 48 - 3.1/4310=8, 4.4/4302=8...(13) HB2 LEU 43 + HB3 GLU 33 OK 15 89 - 17 - 4314/4.6=5, 4308/1.8=5...(5) HB2 LEU 43 - HB3 PRO 32 lone 10 97 - 10 - ~4294=3, 3.0/4295=1, ~3728=1 QG2 THR 46 - HB3 GLU 33 lone 6 82 - 7 - 4308/1.8=2, ~3780=1, 4314/4.6=1 HD2 LYS 27 - HB3 GLU 33 lone 6 93 - 6 - 4308/1.8=2, 4314/4.6=1 HG LEU 19 - HB3 PRO 32 lone 4 100 - 4 - ~4771=1 HG LEU 19 - HB3 GLU 33 lone 4 93 - 5 - 4308/1.8=1, 4314/4.6=1 HD2 LYS 27 - HB3 PRO 32 lone 3 100 - 3 - 1647/3.0=1 QG2 THR 46 - HB3 PRO 32 lone 3 92 - 3 - ~1795=1 QG2 THR 14 - HB3 GLU 33 lone 3 54 - 5 - 4308/1.8=1, 4311/3.0=1 QG2 THR 14 - HB3 PRO 32 lone 3 63 - 4 - 4.0/510=2 Peak 4297 from cnoeabs.peaks (1.55, 1.98, 28.38 ppm; 4.77 A): 2 out of 7 assignments used, quality = 0.97: QB ALA 31 + HG2 PRO 32 OK 95 99 - 96 - 4273/2.3=41, 4276/1.8=36...(12) HG LEU 37 + HG2 PRO 32 OK 44 99 - 45 - 4290/2.3=9, 4289/2.3=8...(9) HG2 LYS 49 - HG2 PRO 32 OK 16 85 - 19 - 4289/2.3=4, ~3781=4...(5) HD2 LYS 58 - HG2 PRO 32 OK 13 96 - 13 - 4289/2.3=2, 4290/2.3=2...(6) HD3 LYS 58 - HG2 PRO 32 OK 13 96 - 13 - 4289/2.3=2, 4290/2.3=2...(6) HB3 LYS 27 - HG2 PRO 32 lone 5 99 - 5 - 4289/2.3=1 HG3 LYS 39 - HG2 PRO 32 lone 4 99 - 4 - Peak 4298 from cnoeabs.peaks (1.56, 2.10, 28.38 ppm; 4.73 A): 2 out of 8 assignments used, quality = 0.97: QB ALA 31 + HG3 PRO 32 OK 94 99 - 95 - 4276=41, 4273/2.3=40...(12) HG LEU 37 + HG3 PRO 32 OK 43 100 - 43 - 4297/1.8=8, ~4791=7...(9) HG2 LYS 49 - HG3 PRO 32 OK 18 99 - 18 - ~3781=4, 4289/2.3=4...(5) HD2 LYS 58 - HG3 PRO 32 poor 10 71 - 14 - 4297/1.8=2, 4289/2.3=2...(6) HD3 LYS 58 - HG3 PRO 32 poor 10 71 - 14 - 4297/1.8=2, 4289/2.3=2...(6) HG3 ARG 34 - HG3 PRO 32 lone 6 81 - 7 - 4294/3.8=3 HB3 LYS 27 - HG3 PRO 32 lone 5 100 - 5 - 4289/2.3=1 HG3 LYS 39 - HG3 PRO 32 lone 3 83 - 4 - Peak 4301 from cnoeabs.peaks (8.98, 1.88, 30.88 ppm; 4.23 A): 2 out of 2 assignments used, quality = 0.93: H SER 30 + HB2 GLU 33 OK 92 100 - 92 - 4260=41, 4261/3.0=26...(12) H PHE 23 + HB2 GLU 33 OK 20 87 - 22 - 4300/4.0=5, 4828/4.6=4...(5) Peak 4302 from cnoeabs.peaks (8.97, 2.32, 30.88 ppm; 4.10 A): 2 out of 4 assignments used, quality = 0.94: H SER 30 + HB3 GLU 33 OK 86 99 - 87 - 4260/1.8=33, 4261/3.0=24...(14) H SER 30 + HB3 PRO 32 OK 58 92 - 63 - 4258/3.6=21, ~4868=13...(12) H PHE 23 - HB3 GLU 33 OK 17 78 - 21 - 4301/1.8=7, 4300/4.0=4...(5) H PHE 23 - HB3 PRO 32 lone 6 69 - 8 - 4300/3.6=5, 3443/4310=1 Peak 4303 from cnoeabs.peaks (8.96, 2.32, 37.36 ppm; 5.25 A): 1 out of 2 assignments used, quality = 0.82: H SER 30 + HG2 GLU 33 OK 82 92 - 90 - 4261/1.8=38, 4260/3.0=33...(13) H PHE 52 - HG2 GLU 33 lone 1 65 - 2 - Peak 4304 from cnoeabs.peaks (8.97, 2.23, 37.36 ppm; 4.94 A): 2 out of 2 assignments used, quality = 0.92: H SER 30 + HG3 GLU 33 OK 90 99 - 90 - 4261=43, 4260/3.0=35...(9) H PHE 23 + HG3 GLU 33 OK 19 78 - 24 - 4301/3.0=7, 4300/5.0=5...(5) Peak 4305 from cnoeabs.peaks (0.45, 4.07, 58.90 ppm; 4.80 A): 1 out of 2 assignments used, quality = 0.86: QD2 LEU 29 + HA GLU 33 OK 86 90 - 95 - 4306/3.0=40, 4315/3.6=30...(18) QD2 LEU 29 - HA LYS 39 lone 6 74 - 8 - 4241=1, 4255/3.6=1 Peak 4306 from cnoeabs.peaks (0.45, 1.88, 30.88 ppm; 3.86 A): 1 out of 1 assignment used, quality = 0.89: QD2 LEU 29 + HB2 GLU 33 OK 89 96 - 93 - 2.1/4307=28, 4234=21...(18) Peak 4307 from cnoeabs.peaks (0.14, 1.88, 30.88 ppm; 4.45 A): 1 out of 1 assignment used, quality = 0.95: QD1 LEU 29 + HB2 GLU 33 OK 95 99 - 95 - 2.1/4306=43, 3.1/4308=21...(18) Peak 4308 from cnoeabs.peaks (1.23, 1.88, 30.88 ppm; 4.46 A): 2 out of 6 assignments used, quality = 0.91: HB2 LEU 29 + HB2 GLU 33 OK 89 92 - 97 - 3.1/4306=36, 3.1/4307=31...(19) HB2 LEU 43 + HB2 GLU 33 OK 19 100 - 19 - 4314/4.6=6, 4311/3.0=3...(5) HD2 LYS 27 - HB2 GLU 33 lone 6 100 - 6 - 4311/3.0=1, 4314/4.6=1 QG2 THR 46 - HB2 GLU 33 lone 6 76 - 7 - 3.2/3780=2, 4296/1.8=1 HG LEU 19 - HB2 GLU 33 lone 5 95 - 5 - 4314/4.6=1 QG2 THR 14 - HB2 GLU 33 lone 4 83 - 5 - 4311/3.0=1 Peak 4309 from cnoeabs.peaks (1.46, 1.88, 30.88 ppm; 4.47 A): 1 out of 8 assignments used, quality = 0.97: HB3 LEU 29 + HB2 GLU 33 OK 97 100 - 97 - 3.1/4306=36, 3.1/4307=31...(20) QB ALA 35 - HB2 GLU 33 OK 30 65 - 46 - 4363=15, 4346/4.6=11...(7) HG LEU 43 - HB2 GLU 33 OK 13 96 - 14 - 3.0/4308=5, ~4311=2...(5) HG2 LYS 39 - HB2 GLU 33 lone 5 60 - 8 - ~2026=1 HG3 ARG 56 - HB2 GLU 33 lone 2 99 - 2 - HG3 LYS 58 - HB2 GLU 33 lone 2 100 - 2 - HG3 LYS 62 - HB2 GLU 33 lone 1 68 - 2 - HG2 LYS 62 - HB2 GLU 33 lone 1 68 - 2 - Peak 4310 from cnoeabs.peaks (0.45, 2.32, 30.88 ppm; 4.39 A): 1 out of 2 assignments used, quality = 0.96: QD2 LEU 29 + HB3 GLU 33 OK 96 99 - 97 - 4306/1.8=44, 4313/3.0=27...(21) QD2 LEU 29 - HB3 PRO 32 OK 44 92 - 48 - 4254/3.6=8, 3.1/4296=7...(14) Peak 4311 from cnoeabs.peaks (1.22, 2.32, 37.36 ppm; 5.68 A): 2 out of 5 assignments used, quality = 0.77: HB2 LEU 29 + HG2 GLU 33 OK 72 73 - 98 - 3.1/4312=40, 4.4/4303=31...(21) HB2 LEU 43 + HG2 GLU 33 OK 17 99 - 17 - 4308/3.0=6, 4314/3457=3...(5) QG2 THR 14 - HG2 GLU 33 lone 7 97 - 7 - 4308/3.0=1 HD2 LYS 27 - HG2 GLU 33 lone 7 96 - 7 - 4308/3.0=2, 4296/3.0=1 HG LEU 19 - HG2 GLU 33 lone 5 78 - 6 - 4308/3.0=2 Peak 4312 from cnoeabs.peaks (0.45, 2.32, 37.36 ppm; 4.97 A): 1 out of 1 assignment used, quality = 0.93: QD2 LEU 29 + HG2 GLU 33 OK 93 96 - 97 - 4306/3.0=42, 4313/1.8=39...(20) Peak 4313 from cnoeabs.peaks (0.46, 2.23, 37.36 ppm; 4.88 A): 1 out of 1 assignment used, quality = 0.96: QD2 LEU 29 + HG3 GLU 33 OK 96 100 - 96 - 4306/3.0=40, 4312/1.8=37...(19) Peak 4317 from cnoeabs.peaks (1.21, 3.79, 59.87 ppm; 4.36 A): 2 out of 3 assignments used, quality = 0.47: HB2 LEU 43 + HA ARG 34 OK 41 90 - 45 - 4324/3.0=8, 3.0/4318=8...(11) QG2 THR 14 + HA ARG 34 OK 11 100 - 11 - 4090/4096=1, 4324/3.0=1...(4) HD2 LYS 27 - HA ARG 34 lone 4 81 - 5 - 4314/2.9=1, ~626=1 Peak 4318 from cnoeabs.peaks (1.46, 3.79, 59.87 ppm; 4.35 A): 1 out of 10 assignments used, quality = 0.96: HB3 LEU 29 + HA ARG 34 OK 96 99 - 97 - 3.1/4326=38, 4246/2.9=27...(23) HG LEU 43 - HA ARG 34 OK 43 90 - 48 - 3.0/4317=22, 4323/3.0=7...(8) HB3 LEU 41 - HA ARG 34 OK 14 63 - 22 - 3.1/4446=5, 3.1/4454=5...(6) HG3 LYS 58 - HA ARG 34 lone 3 100 - 3 - 2.8/3742=1 HG3 ARG 56 - HA ARG 34 lone 3 100 - 3 - 3.0/3742=1 HG2 LYS 62 - HA ARG 34 lone 2 78 - 3 - HG3 LYS 62 - HA ARG 34 lone 2 78 - 3 - HG2 LYS 39 - HA ARG 34 lone 2 71 - 3 - HG3 LYS 60 - HA ARG 34 lone 2 63 - 3 - HG2 LYS 60 - HA ARG 34 lone 2 60 - 3 - Peak 4319 from cnoeabs.peaks (0.98, 3.79, 59.87 ppm; 3.86 A): 3 out of 3 assignments used, quality = 0.86: QD1 LEU 37 + HA ARG 34 OK 65 90 - 72 - 3.1/3740=20, 3.1/3742=18...(15) QG1 VAL 48 + HA ARG 34 OK 46 85 - 55 - 4329/4.0=15, 4853=14...(7) QG2 VAL 48 + HA ARG 34 OK 23 65 - 35 - 2.1/4853=14, 4576/4.0=6...(9) Peak 4320 from cnoeabs.peaks (0.44, 3.79, 59.87 ppm; 5.39 A): 1 out of 1 assignment used, quality = 0.73: QD2 LEU 29 + HA ARG 34 OK 73 73 - 99 - 2.1/4326=50, 4315/2.9=36...(25) Peak 4322 from cnoeabs.peaks (0.44, 1.93, 59.87 ppm; 6.00 A): 0 out of 0 assignments used, low quality = 0.00: Peak 4323 from cnoeabs.peaks (1.46, 1.94, 29.95 ppm; 4.27 A): 3 out of 5 assignments used, quality = 0.99: HB3 LEU 29 + HB2 ARG 34 OK 94 100 - 94 - 3.1/4325=26, 4246/3.9=22...(24) QB ALA 35 + HB2 ARG 34 OK 55 78 - 71 - 2.9/141=25, 4346/3.9=15...(10) HG LEU 43 + HB2 ARG 34 OK 46 99 - 47 - 2.1/4484=11, ~4317=10...(9) HG3 LYS 58 - HB2 ARG 34 lone 3 97 - 3 - HG3 ARG 56 - HB2 ARG 34 lone 2 97 - 2 - Peak 4324 from cnoeabs.peaks (1.22, 1.94, 29.95 ppm; 4.51 A): 4 out of 6 assignments used, quality = 0.94: HB2 LEU 29 + HB2 ARG 34 OK 81 85 - 96 - 3.1/4325=29, 4245/3.9=21...(24) HB2 LEU 43 + HB2 ARG 34 OK 58 100 - 58 - 4317/3.0=20, 4473/3.0=12...(10) QG2 THR 46 + HB2 ARG 34 OK 12 65 - 18 - 4.0/3460=5, ~4535=5...(6) HG LEU 19 + HB2 ARG 34 OK 11 89 - 13 - 2.1/4704=4, ~4116=3...(5) QG2 THR 14 - HB2 ARG 34 lone 9 90 - 10 - 4317/3.0=6, ~3667=1, ~4005=1 HD2 LYS 27 - HB2 ARG 34 lone 5 99 - 5 - 4317/3.0=2, 4314/3.9=1 Peak 4325 from cnoeabs.peaks (0.15, 1.94, 29.95 ppm; 4.77 A): 1 out of 1 assignment used, quality = 0.97: QD1 LEU 29 + HB2 ARG 34 OK 97 100 - 98 - 4326/3.0=43, 4327/1.8=39...(20) Peak 4326 from cnoeabs.peaks (0.15, 3.79, 59.87 ppm; 3.49 A): 1 out of 1 assignment used, quality = 0.90: QD1 LEU 29 + HA ARG 34 OK 90 100 - 90 - 4240=21, 4316/2.9=19...(26) Peak 4327 from cnoeabs.peaks (0.15, 1.86, 29.95 ppm; 4.81 A): 1 out of 1 assignment used, quality = 0.98: QD1 LEU 29 + HB3 ARG 34 OK 98 100 - 98 - 4326/3.0=43, 4325/1.8=40...(21) Peak 4328 from cnoeabs.peaks (2.06, 1.34, 28.15 ppm; 4.22 A): 3 out of 18 assignments used, quality = 0.98: HG3 GLU 45 + HG2 ARG 34 OK 80 99 - 81 - 4528/3.0=21, 4517=20...(16) HB3 GLU 45 + HG2 ARG 34 OK 71 87 - 82 - 3.0/4517=15, 3.0/4511=14...(20) HB2 GLU 45 + HG2 ARG 34 OK 68 83 - 82 - 3.0/4517=15, 3.0/4511=14...(20) HB2 GLN 63 - HG2 ARG 34 OK 11 95 - 12 - 4694/1.8=5, 4337/3.0=2...(5) HB3 GLU 20 - HG2 ARG 34 poor 9 73 - 12 - 1.8/4339=2, ~3722=2...(4) HB2 LYS 22 - HG2 ARG 34 lone 8 99 - 8 - ~4160=1 HG3 GLU 45 - HD3 LYS 27 poor 8 53 - 15 - 4517=3, 3.9/4511=3...(6) HB VAL 16 - HG2 ARG 34 lone 7 97 - 7 - ~4329=1 HB3 GLU 45 - HD3 LYS 27 poor 6 42 - 14 - 3.0/4511=3, 3.0/4517=2...(7) HB2 GLU 45 - HD3 LYS 27 poor 6 40 - 14 - 3.0/4511=3, 3.0/4517=2...(7) HB2 GLU 67 - HG2 ARG 34 lone 3 78 - 4 - HB2 LYS 22 - HD3 LYS 27 lone 2 53 - 4 - 4141/4652=2 HB3 ARG 56 - HG2 ARG 34 lone 1 63 - 2 - HB3 ARG 56 - HD3 LYS 27 lone 1 28 - 3 - 4644/4652=2 HB VAL 16 - HD3 LYS 27 lone 1 51 - 2 - HB3 GLU 20 - HD3 LYS 27 lone 1 34 - 2 - HB2 GLN 63 - HD3 LYS 27 lone 1 48 - 1 - HB2 GLU 67 - HD3 LYS 27 lone 0 37 - 1 - Peak 4329 from cnoeabs.peaks (0.99, 1.59, 28.15 ppm; 3.95 A): 2 out of 3 assignments used, quality = 0.89: QG1 VAL 48 + HG3 ARG 34 OK 85 97 - 87 - 4331/1.8=18, 4334/3.0=18...(21) QD1 LEU 37 + HG3 ARG 34 OK 29 71 - 40 - 4319/4.0=11, 4331/1.8=9...(8) QG2 VAL 16 - HG3 ARG 34 lone 5 68 - 8 - 4581/4330=1 Peak 4330 from cnoeabs.peaks (0.14, 1.59, 28.15 ppm; 4.93 A): 1 out of 1 assignment used, quality = 0.96: QD1 LEU 29 + HG3 ARG 34 OK 96 100 - 96 - 4326/4.0=37, 4332/1.8=34...(18) Peak 4331 from cnoeabs.peaks (0.98, 1.34, 28.15 ppm; 4.52 A): 3 out of 4 assignments used, quality = 0.93: QG1 VAL 48 + HG2 ARG 34 OK 87 93 - 93 - 4329/1.8=32, 4334/3.0=23...(20) QD1 LEU 37 + HG2 ARG 34 OK 41 81 - 51 - 4319/4.0=15, 4329/1.8=11...(8) QG1 VAL 48 + HD3 LYS 27 OK 11 47 - 22 - 4574=5, 2.1/4570=4...(8) QD1 LEU 37 - HD3 LYS 27 lone 2 38 - 6 - 4382/3.0=1 Peak 4332 from cnoeabs.peaks (0.13, 1.34, 28.15 ppm; 5.15 A): 1 out of 2 assignments used, quality = 0.88: QD1 LEU 29 + HG2 ARG 34 OK 88 93 - 95 - 4330/1.8=41, 4326/4.0=34...(16) QD1 LEU 29 - HD3 LYS 27 lone 4 47 - 7 - 4249/4652=2, 4581/4574=2 Peak 4333 from cnoeabs.peaks (0.98, 3.54, 43.10 ppm; 4.65 A): 2 out of 2 assignments used, quality = 0.91: QG1 VAL 48 + HD2 ARG 34 OK 86 93 - 92 - 4334/1.8=30, 4329/3.0=27...(18) QD1 LEU 37 + HD2 ARG 34 OK 35 81 - 44 - 4334/1.8=12, 4319/5.3=11...(7) Peak 4334 from cnoeabs.peaks (0.98, 3.27, 43.10 ppm; 4.48 A): 2 out of 2 assignments used, quality = 0.90: QG1 VAL 48 + HD3 ARG 34 OK 85 93 - 92 - 2.1/4336=30, 4333/1.8=26...(18) QD1 LEU 37 + HD3 ARG 34 OK 34 81 - 42 - 4333/1.8=11, 4319/5.3=10...(8) Peak 4335 from cnoeabs.peaks (2.06, 3.27, 43.10 ppm; 4.12 A): 3 out of 9 assignments used, quality = 0.96: HG3 GLU 45 + HD3 ARG 34 OK 71 99 - 72 - 4528/1.8=23, 4529=21...(11) HB3 GLU 45 + HD3 ARG 34 OK 65 87 - 75 - 3.0/4529=17, ~4528=15...(17) HB2 GLU 45 + HD3 ARG 34 OK 62 83 - 75 - 3.0/4529=17, ~4528=15...(17) HB2 GLN 63 - HD3 ARG 34 OK 11 95 - 12 - 4694/3.0=4, 3.0/4342=2...(5) HB3 GLU 20 - HD3 ARG 34 lone 6 73 - 8 - 1.8/4336=2, ~4339=1, ~4338=1 HB2 LYS 22 - HD3 ARG 34 lone 5 99 - 5 - 3.0/4342=1 HB VAL 16 - HD3 ARG 34 lone 4 97 - 4 - HB2 GLU 67 - HD3 ARG 34 lone 3 78 - 3 - HB3 ARG 56 - HD3 ARG 34 lone 1 63 - 2 - Peak 4336 from cnoeabs.peaks (2.17, 3.27, 43.10 ppm; 4.45 A): 1 out of 5 assignments used, quality = 0.86: HB VAL 48 + HD3 ARG 34 OK 86 99 - 87 - 2.1/4334=26, 4.4/4344=23...(16) HB2 GLU 20 - HD3 ARG 34 lone 7 99 - 7 - 4339/3.0=2, 1.8/4335=1 HB2 GLN 53 - HD3 ARG 34 lone 6 81 - 7 - 4.0/261=2, 229/4344=1 HB3 LYS 42 - HD3 ARG 34 lone 5 87 - 5 - 229/4344=1, 4339/3.0=1 HG2 ARG 56 - HD3 ARG 34 lone 1 65 - 2 - Peak 4337 from cnoeabs.peaks (2.06, 3.54, 43.10 ppm; 4.43 A): 3 out of 9 assignments used, quality = 0.97: HG3 GLU 45 + HD2 ARG 34 OK 74 99 - 75 - 4528=29, 4529/1.8=25...(10) HB3 GLU 45 + HD2 ARG 34 OK 68 87 - 78 - 3.0/4528=23, ~4529=16...(16) HB2 GLU 45 + HD2 ARG 34 OK 65 83 - 78 - 3.0/4528=23, ~4529=16...(16) HB2 GLN 63 - HD2 ARG 34 OK 13 95 - 13 - 4694/3.0=4, 3.0/4340=3...(5) HB3 GLU 20 - HD2 ARG 34 lone 6 73 - 9 - ~4336=2, 1.8/4338=2...(5) HB2 LYS 22 - HD2 ARG 34 lone 5 99 - 5 - HB VAL 16 - HD2 ARG 34 lone 5 97 - 5 - ~4329=1 HB2 GLU 67 - HD2 ARG 34 lone 3 78 - 4 - HB3 ARG 56 - HD2 ARG 34 lone 1 63 - 2 - Peak 4338 from cnoeabs.peaks (2.14, 3.54, 43.10 ppm; 4.59 A): 2 out of 5 assignments used, quality = 0.92: HB2 LYS 49 + HD2 ARG 34 OK 77 95 - 81 - 1.8/4592=27, 3.0/4340=24...(10) HB VAL 48 + HD2 ARG 34 OK 64 73 - 87 - 2.1/4333=26, 4.4/4345=21...(16) HB2 GLN 53 - HD2 ARG 34 lone 7 97 - 8 - 4.0/262=2, 3805/5.3=1 HB2 GLU 20 - HD2 ARG 34 lone 7 73 - 9 - 4339/3.0=2, 1.8/4337=1 HB3 LYS 42 - HD2 ARG 34 lone 5 95 - 6 - 4339/3.0=1 Peak 4339 from cnoeabs.peaks (2.15, 1.34, 28.15 ppm; 4.76 A): 2 out of 10 assignments used, quality = 0.95: HB VAL 48 + HG2 ARG 34 OK 90 97 - 94 - 2.1/4331=25, ~4329=24...(19) HB2 LYS 49 + HG2 ARG 34 OK 47 68 - 70 - ~4592=16, 4338/3.0=14...(10) HB2 GLU 20 - HG2 ARG 34 OK 14 97 - 14 - ~3722=2, ~3724=2...(5) HB VAL 48 - HD3 LYS 27 OK 12 50 - 24 - 4570=5, 2.1/4574=4...(9) HB3 LYS 42 - HG2 ARG 34 lone 9 100 - 9 - 4.7/193=1, 4336/3.0=1...(5) HB2 LYS 49 - HD3 LYS 27 poor 8 31 - 26 - ~4586=15, ~4585=5...(5) HB2 GLN 53 - HG2 ARG 34 lone 7 100 - 7 - 3805/4.0=2, 4336/3.0=1 HB3 LYS 42 - HD3 LYS 27 lone 2 56 - 3 - HB2 GLU 20 - HD3 LYS 27 lone 1 50 - 2 - HB2 GLN 53 - HD3 LYS 27 lone 1 55 - 2 - Peak 4340 from cnoeabs.peaks (4.32, 3.54, 43.10 ppm; 4.64 A): 2 out of 5 assignments used, quality = 0.88: HA LYS 49 + HD2 ARG 34 OK 87 97 - 89 - 3.0/4345=27, 4342/1.8=26...(13) HA GLN 63 + HD2 ARG 34 OK 11 100 - 11 - 4342/1.8=3, ~4694=3...(4) HA LEU 41 - HD2 ARG 34 lone 6 78 - 7 - ~4461=2, 4342/1.8=2, 4854/4333=1 HA HIS 36 - HD2 ARG 34 lone 5 100 - 5 - 3754/3.6=2, 4342/1.8=1 HA GLU 67 - HD2 ARG 34 lone 4 100 - 3 - Peak 4342 from cnoeabs.peaks (4.33, 3.27, 43.10 ppm; 4.52 A): 1 out of 7 assignments used, quality = 0.89: HA LYS 49 + HD3 ARG 34 OK 89 100 - 89 - 3.0/4344=32, 4340/1.8=26...(13) HA GLN 63 - HD3 ARG 34 poor 10 89 - 11 - 4340/1.8=3, ~4694=3...(4) HA LEU 41 - HD3 ARG 34 lone 7 98 - 7 - ~4461=2, 4340/1.8=2, 4854/4334=1 HA LYS 22 - HD3 ARG 34 lone 5 83 - 6 - 4854/4334=1, ~63=1 HA HIS 36 - HD3 ARG 34 lone 5 93 - 5 - 3754/3.6=2, 4340/1.8=2 HA GLU 67 - HD3 ARG 34 lone 3 87 - 3 - 4340/1.8=1 HA ASN 54 - HD3 ARG 34 lone 1 73 - 2 - Peak 4344 from cnoeabs.peaks (8.54, 3.27, 43.10 ppm; 4.56 A): 1 out of 1 assignment used, quality = 0.89: H LYS 49 + HD3 ARG 34 OK 89 100 - 89 - 4345/1.8=31, 3.0/4342=24...(13) Peak 4345 from cnoeabs.peaks (8.53, 3.54, 43.10 ppm; 5.18 A): 1 out of 3 assignments used, quality = 0.93: H LYS 49 + HD2 ARG 34 OK 93 99 - 93 - 4344/1.8=46, 3.0/4340=30...(12) H GLN 26 - HD2 ARG 34 lone 1 65 - 2 - H LEU 29 - HD2 ARG 34 lone 1 57 - 2 - Peak 4346 from cnoeabs.peaks (8.72, 1.49, 17.89 ppm; 4.79 A): 1 out of 1 assignment used, quality = 0.73: H ARG 34 + QB ALA 35 OK 73 96 - 76 - 139/2.9=44, 984/3.7=27...(8) Peak 4350 from cnoeabs.peaks (3.63, 3.98, 55.19 ppm; 4.64 A): 4 out of 4 assignments used, quality = 0.90: HA ALA 38 + HA ALA 35 OK 68 92 - 74 - 2.9/3746=33, 2.1/3748=21...(12) HA GLU 45 + HA ALA 35 OK 59 93 - 63 - 3.9/4527=23, 3.9/4356=22...(11) HA VAL 48 + HA ALA 35 OK 14 100 - 14 - 3.0/3749=6, ~4871=2, 3.6/1020=1 HA LEU 19 + HA ALA 35 OK 11 96 - 11 - 3.6/3746=3, ~885=2, ~3467=2 Peak 4354 from cnoeabs.peaks (1.92, 3.98, 55.19 ppm; 4.86 A): 4 out of 5 assignments used, quality = 0.88: HB2 ARG 34 + HA ALA 35 OK 59 81 - 74 - 141/3.0=23, ~3461=19...(10) HB2 LYS 39 + HA ALA 35 OK 37 100 - 37 - 3.9/3749=17, 4415/3746=6...(7) HB3 LYS 39 + HA ALA 35 OK 37 99 - 37 - 3.9/3749=17, 4415/3746=6...(7) HB2 LYS 42 + HA ALA 35 OK 25 65 - 38 - 2.9/3747=7, 2.9/3747=7...(11) HB ILE 50 - HA ALA 35 poor 9 85 - 10 - 2.1/4602=4, 4399/3746=1 Peak 4355 from cnoeabs.peaks (2.07, 3.98, 55.19 ppm; 3.31 A): 3 out of 9 assignments used, quality = 0.90: HG3 GLU 45 + HA ALA 35 OK 68 100 - 68 - 4527=23, 1.8/4356=19...(15) HB3 GLU 45 + HA ALA 35 OK 47 78 - 61 - 3.0/4527=15, 3.0/4356=14...(15) HB2 GLU 45 + HA ALA 35 OK 44 73 - 60 - 3.0/4527=15, 3.0/4356=14...(15) HB2 LYS 22 - HA ALA 35 lone 7 96 - 7 - 1.8/4356=2, ~4360=1 HG3 PRO 32 - HA ALA 35 poor 6 57 - 11 - ~4361=4, ~4352=3...(4) HB VAL 16 - HA ALA 35 lone 4 99 - 4 - 3366/3.6=1 HB3 GLU 20 - HA ALA 35 lone 3 63 - 5 - 4.0/3746=1 HB2 GLU 67 - HA ALA 35 lone 3 87 - 3 - HB2 GLN 63 - HA ALA 35 lone 1 98 - 1 - Peak 4356 from cnoeabs.peaks (2.40, 3.98, 55.19 ppm; 3.89 A): 2 out of 7 assignments used, quality = 0.82: HG2 GLU 45 + HA ALA 35 OK 80 100 - 80 - 4525=29, 1.8/4527=26...(13) HG3 GLN 47 + HA ALA 35 OK 14 100 - 14 - 3.4/3749=3, 5.1/3745=2...(5) HG3 GLU 18 - HA ALA 35 lone 8 100 - 8 - ~4361=3, 4360/2.1=2, 3379/3.6=1 HB3 LYS 22 - HA ALA 35 lone 7 78 - 8 - 4360/2.1=2, 1.8/4355=2 HG3 GLU 20 - HA ALA 35 lone 3 81 - 4 - 5.0/3746=1 HG2 MET 11 - HA ALA 35 lone 2 90 - 2 - HD2 ARG 55 - HA ALA 35 lone 2 100 - 2 - Peak 4359 from cnoeabs.peaks (3.17, 1.49, 17.89 ppm; 4.49 A): 2 out of 7 assignments used, quality = 0.82: HB2 HIS 36 + QB ALA 35 OK 57 89 - 65 - 4.0/149=31, 4709=19...(6) HB3 HIS 36 + QB ALA 35 OK 57 89 - 65 - 4.0/149=31, 4709=19...(6) HD2 ARG 21 - QB ALA 35 poor 7 60 - 11 - 4353/2.9=4, ~142=2, ~144=2 HB2 PHE 23 - QB ALA 35 lone 4 89 - 4 - HB3 TYR 57 - QB ALA 35 lone 2 100 - 2 - HD3 ARG 61 - QB ALA 35 lone 2 57 - 3 - HD2 ARG 61 - QB ALA 35 lone 2 57 - 3 - Peak 4360 from cnoeabs.peaks (2.39, 1.49, 17.89 ppm; 4.62 A): 4 out of 9 assignments used, quality = 0.89: HG2 GLU 45 + QB ALA 35 OK 84 97 - 86 - 4514=29, 4525/2.1=26...(13) HG3 GLN 47 + QB ALA 35 OK 12 92 - 13 - 4356/2.1=4, ~3749=2, ~2346=2 HG3 GLU 18 + QB ALA 35 OK 11 85 - 13 - 1.8/4361=5, 4356/2.1=3...(4) HB3 LYS 22 + QB ALA 35 OK 10 99 - 10 - 4356/2.1=2, 1.8/4362=2...(4) HG2 MET 11 - QB ALA 35 lone 3 100 - 3 - HD2 ARG 55 - QB ALA 35 lone 2 85 - 2 - HG3 GLN 63 - QB ALA 35 lone 1 63 - 2 - HG2 GLN 63 - QB ALA 35 lone 1 57 - 2 - HG3 GLN 53 - QB ALA 35 lone 1 83 - 2 - Peak 4361 from cnoeabs.peaks (2.29, 1.49, 17.89 ppm; 6.00 A): 2 out of 6 assignments used, quality = 0.64: HB3 PRO 32 + QB ALA 35 OK 53 78 - 69 - 2.3/3729=34, ~980=25...(8) HG2 GLU 18 + QB ALA 35 OK 22 97 - 23 - 4096/4.8=6, 3378/3.7=5...(5) HG2 GLU 67 - QB ALA 35 lone 8 99 - 8 - ~3644=1, ~141=1 HG2 GLN 15 - QB ALA 35 lone 5 96 - 5 - HG3 GLN 26 - QB ALA 35 lone 4 100 - 4 - HG2 GLN 26 - QB ALA 35 lone 4 100 - 4 - Peak 4362 from cnoeabs.peaks (2.06, 1.49, 17.89 ppm; 4.05 A): 3 out of 9 assignments used, quality = 0.97: HG3 GLU 45 + QB ALA 35 OK 73 96 - 77 - 4527/2.1=24, 1.8/4360=20...(13) HB3 GLU 45 + QB ALA 35 OK 69 95 - 73 - 3.0/4360=16, 3.0/4516=16...(16) HB2 GLU 45 + QB ALA 35 OK 67 92 - 73 - 3.0/4360=16, 3.0/4516=16...(16) HB2 LYS 22 - QB ALA 35 lone 10 100 - 9 - 1.8/4360=3, 4355/2.1=2...(4) HB VAL 16 - QB ALA 35 lone 8 92 - 8 - 4.4/3467=2, 3366/3.7=2 HB3 GLU 20 - QB ALA 35 lone 4 85 - 5 - ~981=1 HB2 GLU 67 - QB ALA 35 lone 4 65 - 6 - 2.8/4361=1 HB3 ARG 56 - QB ALA 35 lone 3 76 - 4 - HB2 GLN 63 - QB ALA 35 lone 2 87 - 3 - Peak 4363 from cnoeabs.peaks (1.89, 1.49, 17.89 ppm; 4.62 A): 2 out of 4 assignments used, quality = 0.59: HB2 GLU 33 + QB ALA 35 OK 49 99 - 49 - 4.6/4346=22, ~3731=8...(9) HB2 LYS 42 + QB ALA 35 OK 20 100 - 20 - ~3747=4, 4.7/685=3...(7) HB3 LYS 49 - QB ALA 35 lone 5 98 - 5 - 135/4346=1 HG LEU 41 - QB ALA 35 lone 5 76 - 6 - 4407/4364=2 Peak 4364 from cnoeabs.peaks (1.32, 1.49, 17.89 ppm; 3.80 A): 2 out of 3 assignments used, quality = 0.74: HG2 ARG 34 + QB ALA 35 OK 52 89 - 59 - 4.9/4346=14, 143/2.9=9...(12) QB ALA 38 + QB ALA 35 OK 46 83 - 56 - ~3746=14, 3748/2.1=13...(10) HD3 LYS 27 - QB ALA 35 lone 4 98 - 3 - Peak 4367 from cnoeabs.peaks (1.69, 4.32, 59.41 ppm; 4.12 A): 5 out of 14 assignments used, quality = 0.95: HD2 LYS 39 + HA HIS 36 OK 68 99 - 69 - 3.0/4368=18, 3.0/4788=14...(17) HD3 LYS 39 + HA HIS 36 OK 68 99 - 69 - 3.0/4368=18, 3.0/4788=14...(17) HB2 LEU 37 + HA HIS 36 OK 35 78 - 44 - 640/3.6=18, 4.4/3750=14...(10) HD3 LYS 49 + HA HIS 36 OK 12 90 - 13 - 3.0/4368=2, 1.8/2432=2...(6) HD2 LYS 49 + HA HIS 36 OK 12 89 - 13 - 3.0/4368=2, 1.8/2432=1...(5) HD2 LYS 62 - HA HIS 36 lone 7 90 - 8 - 3.0/4788=1, 3.0/4788=1...(4) HD3 LYS 62 - HA HIS 36 lone 7 89 - 8 - 3.0/4788=1, 3.0/4788=1...(4) HD2 LYS 60 - HA HIS 36 lone 7 93 - 7 - 2.9/4788=1, 2.9/4788=1 HD3 LYS 60 - HA HIS 36 lone 7 90 - 7 - 2.9/4788=1, 2.9/4788=1 HG3 LYS 22 - HA HIS 36 lone 6 99 - 6 - 640/3.6=2 HG13 ILE 50 - HA HIS 36 lone 6 99 - 6 - 640/3.6=1 HD3 LYS 42 - HA HIS 36 lone 4 68 - 6 - 640/3.6=3 HB2 LEU 64 - HA HIS 36 lone 3 71 - 4 - 640/3.6=1 HG2 LYS 22 - HA HIS 36 lone 2 63 - 3 - Peak 4368 from cnoeabs.peaks (1.55, 4.32, 59.41 ppm; 3.95 A): 2 out of 7 assignments used, quality = 0.78: HG3 LYS 39 + HA HIS 36 OK 71 100 - 72 - 2.9/3752=16, 2.9/3752=16...(19) HG LEU 37 + HA HIS 36 OK 23 95 - 24 - 642/3.6=11, 3475/3750=4...(6) HD2 LYS 58 - HA HIS 36 lone 8 99 - 8 - 3.0/4788=2, 6.2/3751=2...(4) HD3 LYS 58 - HA HIS 36 lone 8 99 - 8 - 3.0/4788=2, 6.2/3751=2...(4) HG2 LYS 49 - HA HIS 36 lone 7 73 - 10 - 3.0/4367=1, 3.0/4367=1...(5) QB ALA 31 - HA HIS 36 lone 3 97 - 3 - 642/3.6=2 HB3 LYS 27 - HA HIS 36 lone 2 95 - 2 - Peak 4370 from cnoeabs.peaks (0.72, 4.06, 57.84 ppm; 4.58 A): 4 out of 5 assignments used, quality = 0.96: QD1 LEU 41 + HA LEU 37 OK 79 100 - 79 - 4894/4.3=23, 4377/3.8=16...(17) HG LEU 29 + HA LEU 37 OK 53 85 - 63 - ~4372=19, ~4373=18...(12) QD2 LEU 41 + HA LEU 37 OK 43 65 - 65 - 2.1/4453=12, 2.1/4390=12...(16) HB2 LEU 19 + HA LEU 37 OK 33 94 - 35 - 4377/3.8=15, 4380/4.3=7...(5) QD1 ILE 17 - HA LEU 37 lone 6 78 - 8 - 5.0/3758=2, 4377/3.8=2 Peak 4371 from cnoeabs.peaks (0.73, 1.73, 42.65 ppm; 4.97 A): 4 out of 5 assignments used, quality = 1.00: HG LEU 29 + HB3 LEU 37 OK 89 95 - 94 - 2.1/4372=38, ~4376=27...(17) QD1 LEU 41 + HB3 LEU 37 OK 83 98 - 85 - 4894/3.0=32, ~4459=17...(15) QD2 LEU 41 + HB3 LEU 37 OK 69 81 - 86 - ~4894=22, 4459/3.1=18...(18) HB2 LEU 19 + HB3 LEU 37 OK 67 85 - 79 - ~4374=22, ~4378=22...(13) QD1 ILE 17 - HB3 LEU 37 poor 7 63 - 11 - 4377/3.1=2, ~4814=1...(4) Peak 4372 from cnoeabs.peaks (0.15, 1.73, 42.65 ppm; 5.00 A): 1 out of 1 assignment used, quality = 0.93: QD1 LEU 29 + HB3 LEU 37 OK 93 100 - 93 - 4376/3.1=41, 4379/3.1=39...(14) Peak 4373 from cnoeabs.peaks (0.15, 1.66, 42.65 ppm; 4.99 A): 1 out of 2 assignments used, quality = 0.94: QD1 LEU 29 + HB2 LEU 37 OK 94 100 - 94 - 4376/3.1=41, 4372/1.8=40...(16) QD1 LEU 29 - HB2 LEU 64 lone 7 82 - 8 - 4231/3.1=2, ~4232=1, 2.1/4233=1 Peak 4374 from cnoeabs.peaks (0.52, 0.92, 27.31 ppm; 3.41 A): 1 out of 1 assignment used, quality = 0.60: QD2 LEU 19 + QD2 LEU 37 OK 60 89 - 67 - 4378/2.1=24, 4381/2.1=18...(11) Peak 4375 from cnoeabs.peaks (0.69, 0.92, 27.31 ppm; 4.03 A): 2 out of 3 assignments used, quality = 0.87: HB2 LEU 19 + QD2 LEU 37 OK 70 93 - 75 - 3.1/4374=34, ~4378=19...(12) QD1 LEU 41 + QD2 LEU 37 OK 55 73 - 75 - 4377/2.1=19, 4894/2.1=18...(15) QD1 ILE 17 - QD2 LEU 37 lone 8 100 - 8 - 4377/2.1=2, 3.2/4814=2, ~4815=1 Peak 4376 from cnoeabs.peaks (0.14, 0.92, 27.31 ppm; 3.75 A): 1 out of 1 assignment used, quality = 0.82: QD1 LEU 29 + QD2 LEU 37 OK 82 98 - 83 - 4231=31, 4379/2.1=25...(17) Peak 4377 from cnoeabs.peaks (0.71, 0.96, 24.23 ppm; 3.18 A): 2 out of 3 assignments used, quality = 0.85: QD1 LEU 41 + QD1 LEU 37 OK 65 97 - 67 - 4894/2.1=19, 2.1/4459=14...(15) HB2 LEU 19 + QD1 LEU 37 OK 57 100 - 57 - 3.1/4378=22, ~4374=11...(13) QD1 ILE 17 - QD1 LEU 37 lone 6 98 - 6 - 4375/2.1=1, 3.2/4815=1 Peak 4378 from cnoeabs.peaks (0.54, 0.96, 24.23 ppm; 3.46 A): 1 out of 1 assignment used, quality = 0.67: QD2 LEU 19 + QD1 LEU 37 OK 67 100 - 67 - 4374/2.1=25, 4381/2.1=21...(13) Peak 4379 from cnoeabs.peaks (0.15, 0.96, 24.23 ppm; 4.19 A): 1 out of 1 assignment used, quality = 0.86: QD1 LEU 29 + QD1 LEU 37 OK 86 100 - 86 - 4376/2.1=35, 4372/3.1=23...(17) Peak 4380 from cnoeabs.peaks (0.72, 1.56, 26.77 ppm; 3.80 A): 4 out of 5 assignments used, quality = 0.99: QD1 LEU 41 + HG LEU 37 OK 79 100 - 79 - 4894=36, 4377/2.1=18...(13) HG LEU 29 + HG LEU 37 OK 66 85 - 78 - ~4376=21, ~4379=19...(15) HB2 LEU 19 + HG LEU 37 OK 65 95 - 69 - 3.1/4381=22, 4377/2.1=16...(12) QD2 LEU 41 + HG LEU 37 OK 46 65 - 71 - 2.1/4894=27, ~4460=12...(14) QD1 ILE 17 - HG LEU 37 lone 6 78 - 7 - 4377/2.1=2 Peak 4381 from cnoeabs.peaks (0.53, 1.56, 26.77 ppm; 4.46 A): 1 out of 1 assignment used, quality = 0.85: QD2 LEU 19 + HG LEU 37 OK 85 100 - 85 - 4378/2.1=46, 4374/2.1=40...(11) Peak 4382 from cnoeabs.peaks (2.75, 0.96, 24.23 ppm; 4.20 A): 1 out of 2 assignments used, quality = 0.76: HB2 ASN 40 + QD1 LEU 37 OK 76 98 - 77 - 3759/3.8=27, 1.8/4429=22...(12) HE3 LYS 27 - QD1 LEU 37 lone 5 98 - 4 - 3759/3.8=1 Peak 4383 from cnoeabs.peaks (2.97, 0.96, 24.23 ppm; 4.74 A): 5 out of 10 assignments used, quality = 0.77: HE3 LYS 22 + QD1 LEU 37 OK 62 89 - 70 - ~4386=18, 3.0/4815=16...(11) HE2 LYS 39 + QD1 LEU 37 OK 13 93 - 15 - 7.4/4416=7, 6.1/1973=3 HE3 LYS 39 + QD1 LEU 37 OK 13 93 - 15 - 7.4/4416=7, 6.1/1973=3 HE3 LYS 49 + QD1 LEU 37 OK 11 96 - 11 - 6.9/231=3, 4.8/4790=2 HE2 LYS 49 + QD1 LEU 37 OK 11 96 - 11 - 6.9/231=3, 4.8/4790=2 HE2 LYS 62 - QD1 LEU 37 lone 3 90 - 4 - HE2 LYS 60 - QD1 LEU 37 lone 3 92 - 3 - HE3 LYS 60 - QD1 LEU 37 lone 3 90 - 3 - HE3 LYS 62 - QD1 LEU 37 lone 3 85 - 4 - HB2 TYR 28 - QD1 LEU 37 lone 2 81 - 3 - Peak 4384 from cnoeabs.peaks (3.78, 0.92, 27.31 ppm; 5.16 A): 4 out of 6 assignments used, quality = 0.95: HA ARG 34 + QD2 LEU 37 OK 78 95 - 83 - 3740/3.1=27, 3742/3.1=27...(11) HA ILE 50 + QD2 LEU 37 OK 50 100 - 50 - 2474=9, 3.6/245=8...(15) HD3 PRO 32 + QD2 LEU 37 OK 40 76 - 54 - 3743/3.1=8, ~4791=8...(13) HA PHE 52 + QD2 LEU 37 OK 29 83 - 35 - 5.6/4391=17, 4113/4374=9...(7) HA GLN 15 - QD2 LEU 37 OK 26 89 - 29 - 3.0/4391=5, 3743/3.1=5...(10) HA3 GLY 69 - QD2 LEU 37 lone 1 57 - 2 - Peak 4385 from cnoeabs.peaks (3.61, 0.92, 27.31 ppm; 4.78 A): 2 out of 4 assignments used, quality = 0.95: HA ALA 38 + QD2 LEU 37 OK 91 100 - 91 - 2.9/160=30, ~3477=19...(18) HA LEU 19 + QD2 LEU 37 OK 46 63 - 73 - 4.0/4374=37, 3.0/4375=21...(11) HA VAL 48 - QD2 LEU 37 OK 34 89 - 38 - 4579/4374=13, 2365/2.1=8...(8) HA GLU 45 - QD2 LEU 37 OK 11 57 - 20 - 4512/2.1=4, 3.0/4388=4...(6) Peak 4386 from cnoeabs.peaks (2.79, 0.92, 27.31 ppm; 4.91 A): 2 out of 3 assignments used, quality = 0.87: HE2 LYS 22 + QD2 LEU 37 OK 80 95 - 85 - 1.8/4779=18, 3.0/4814=15...(16) HB2 ASN 40 + QD2 LEU 37 OK 35 68 - 52 - ~4429=21, 3759/3.8=16...(6) HE3 LYS 27 - QD2 LEU 37 lone 4 68 - 6 - 4641/4392=1 Peak 4387 from cnoeabs.peaks (2.39, 0.92, 27.31 ppm; 4.83 A): 4 out of 8 assignments used, quality = 0.94: HB3 LYS 22 + QD2 LEU 37 OK 84 98 - 85 - 1.8/4388=23, 4151=19...(16) HG3 GLN 47 + QD2 LEU 37 OK 33 93 - 35 - 3.8/4543=10, ~4552=10...(6) HG3 GLU 18 + QD2 LEU 37 OK 32 87 - 37 - ~4805=17, ~4791=7...(7) HG2 GLU 45 + QD2 LEU 37 OK 17 98 - 17 - 3.0/4388=4, 3.0/4388=4...(6) HG2 MET 11 - QD2 LEU 37 lone 7 100 - 7 - ~4791=1, ~4815=1, 3.0/4814=1 HG3 GLN 63 - QD2 LEU 37 lone 5 60 - 7 - 3.5/4391=2, ~4693=1, ~4791=1 HD2 ARG 55 - QD2 LEU 37 lone 4 87 - 5 - 5.8/1965=2 HG3 GLN 53 - QD2 LEU 37 lone 4 81 - 5 - 270/4657=2 Peak 4388 from cnoeabs.peaks (2.04, 0.92, 27.31 ppm; 4.54 A): 3 out of 8 assignments used, quality = 0.81: HB2 LYS 22 + QD2 LEU 37 OK 74 93 - 79 - 4150=18, 1.8/4387=16...(15) HB2 GLU 45 + QD2 LEU 37 OK 15 100 - 15 - ~4512=5, 3.0/4387=3...(5) HB3 GLU 45 + QD2 LEU 37 OK 15 100 - 15 - ~4512=5, 3.0/4387=3...(5) HB3 GLU 20 - QD2 LEU 37 lone 10 100 - 10 - 4.0/3476=6 HB2 GLN 26 - QD2 LEU 37 lone 6 83 - 7 - 4193/4232=3 HB3 GLN 26 - QD2 LEU 37 lone 6 83 - 7 - 4193/4232=3 HG3 GLU 45 - QD2 LEU 37 lone 5 60 - 8 - 1.8/4387=3, 3.9/4385=2 HB3 ARG 56 - QD2 LEU 37 lone 4 99 - 4 - 4644/4392=1 Peak 4390 from cnoeabs.peaks (1.88, 4.06, 57.84 ppm; 4.92 A): 6 out of 6 assignments used, quality = 0.93: HG LEU 41 + HA LEU 37 OK 68 96 - 71 - 4460/3.8=21, 2.1/4370=15...(13) HB3 ARG 34 + HA LEU 37 OK 56 85 - 66 - ~3742=15, ~3740=15...(15) HB2 LYS 42 + HA LEU 37 OK 27 96 - 29 - 4.0/4466=5, ~988=5...(11) HB2 GLU 33 + HA LEU 37 OK 19 100 - 19 - 4306/4241=4, ~3737=2...(9) HG2 ARG 21 + HA LEU 37 OK 11 85 - 13 - 1373=2, 4425/3759=2...(5) HB3 LYS 49 + HA LEU 37 OK 11 100 - 11 - 4790/3.8=2, 3.0/1941=2 Peak 4391 from cnoeabs.peaks (7.53, 0.92, 27.31 ppm; 4.02 A): 2 out of 4 assignments used, quality = 0.59: QE PHE 52 + QD2 LEU 37 OK 52 100 - 52 - 4705=18, 4707/4374=14...(9) H GLU 18 + QD2 LEU 37 OK 14 85 - 16 - 4099/4374=3, 4.9/4387=3...(6) H GLN 15 - QD2 LEU 37 poor 10 68 - 14 - 3.0/4384=2, ~4869=2...(6) HE21 GLN 63 - QD2 LEU 37 lone 3 100 - 3 - Peak 4392 from cnoeabs.peaks (7.16, 0.92, 27.31 ppm; 4.66 A): 4 out of 5 assignments used, quality = 0.67: HZ PHE 52 + QD2 LEU 37 OK 43 76 - 57 - 2.2/4391=29, 4643=13...(12) HD1 TRP 51 + QD2 LEU 37 OK 21 93 - 22 - 4719/4374=7, 4.5/4623=6...(5) QE PHE 23 + QD2 LEU 37 OK 18 85 - 22 - 4634/4391=5, 4100/4374=3...(8) QD TYR 57 + QD2 LEU 37 OK 10 97 - 11 - 4715/4151=2, 4714/4658=1...(4) QD TYR 28 - QD2 LEU 37 lone 3 63 - 5 - Peak 4393 from cnoeabs.peaks (8.33, 3.61, 55.88 ppm; 3.99 A): 2 out of 4 assignments used, quality = 0.80: H LEU 43 + HA ALA 38 OK 77 100 - 77 - 4485=36, 4394/2.1=23...(9) H ARG 21 + HA ALA 38 OK 16 87 - 18 - 4394/2.1=5, 4.6/3764=3...(6) H LYS 62 - HA ALA 38 lone 3 63 - 5 - 5.0/3766=1, 5.0/3766=1 H SER 65 - HA ALA 38 lone 3 71 - 4 - 4.4/3767=1, 4394/2.1=1 Peak 4394 from cnoeabs.peaks (8.34, 1.34, 17.52 ppm; 4.41 A): 2 out of 3 assignments used, quality = 0.81: H LEU 43 + QB ALA 38 OK 77 97 - 79 - 4485/2.1=31, 4.5/4396=20...(13) H ARG 21 + QB ALA 38 OK 17 65 - 26 - 4393/2.1=6, 2.9/4411=4...(8) H SER 65 - QB ALA 38 lone 3 90 - 4 - 4393/2.1=1 Peak 4395 from cnoeabs.peaks (8.04, 1.34, 17.52 ppm; 4.24 A): 4 out of 6 assignments used, quality = 0.95: H LEU 41 + QB ALA 38 OK 61 95 - 65 - 1009/2.1=14, 4.0/4461=12...(16) H GLN 47 + QB ALA 38 OK 55 99 - 56 - 1014/4397=9, 4562/4396=7...(17) H LEU 37 + QB ALA 38 OK 54 76 - 71 - 4.6/1982=26, 4.5/4405=12...(15) H ASN 40 + QB ALA 38 OK 35 68 - 51 - 4.7/164=16, 1004/2.9=14...(8) H LYS 22 - QB ALA 38 OK 32 93 - 34 - 959/2.9=5, 4.0/4410=4...(9) H GLN 53 - QB ALA 38 OK 11 97 - 11 - 3.6/4412=2, 4.0/4409=1...(5) Peak 4396 from cnoeabs.peaks (8.82, 1.34, 17.52 ppm; 5.04 A): 1 out of 1 assignment used, quality = 0.72: H THR 44 + QB ALA 38 OK 72 92 - 79 - 2.9/4413=38, 4.6/4397=28...(12) Peak 4397 from cnoeabs.peaks (9.24, 1.34, 17.52 ppm; 4.54 A): 1 out of 1 assignment used, quality = 0.77: H GLU 45 + QB ALA 38 OK 77 100 - 77 - 3.6/4413=29, 4510=22...(9) Peak 4401 from cnoeabs.peaks (1.48, 3.61, 55.88 ppm; 4.42 A): 2 out of 5 assignments used, quality = 0.93: HG LEU 43 + HA ALA 38 OK 79 99 - 79 - 2.1/4404=36, 3.0/4402=30...(8) QB ALA 35 + HA ALA 38 OK 66 98 - 67 - ~3746=19, 4364/2.1=19...(9) HG3 LYS 58 - HA ALA 38 poor 10 76 - 13 - 2863/3.6=4, ~4406=2...(5) HB3 LEU 29 - HA ALA 38 lone 5 90 - 5 - 1.8/4402=1, 4871/4403=1 HG3 ARG 56 - HA ALA 38 lone 2 73 - 3 - Peak 4402 from cnoeabs.peaks (1.23, 3.61, 55.88 ppm; 3.61 A): 1 out of 6 assignments used, quality = 0.72: HB2 LEU 43 + HA ALA 38 OK 72 99 - 73 - 4488=22, 3.1/4404=20...(11) HG LEU 19 - HA ALA 38 lone 8 99 - 8 - 4109/4404=3, ~3384=2, 2.1/1305=1 QG2 THR 46 - HA ALA 38 lone 6 87 - 6 - 4.3/3765=3, ~4535=2 HB2 LEU 29 - HA ALA 38 lone 3 97 - 3 - HD2 LYS 27 - HA ALA 38 lone 3 100 - 2 - QG2 THR 14 - HA ALA 38 lone 2 71 - 3 - Peak 4403 from cnoeabs.peaks (0.94, 3.61, 55.88 ppm; 3.31 A): 3 out of 4 assignments used, quality = 0.89: QD1 LEU 37 + HA ALA 38 OK 60 85 - 71 - 4405/2.1=16, 161/2.9=13...(22) QG2 VAL 48 + HA ALA 38 OK 52 99 - 53 - 4405/2.1=13, 2377=9...(15) QD2 LEU 37 + HA ALA 38 OK 42 68 - 62 - 160/2.9=11, ~3477=8...(14) QG2 ILE 50 - HA ALA 38 lone 6 57 - 10 - 160/2.9=3, ~4412=2...(4) Peak 4404 from cnoeabs.peaks (0.67, 3.61, 55.88 ppm; 4.22 A): 1 out of 3 assignments used, quality = 0.68: QD1 LEU 43 + HA ALA 38 OK 68 89 - 77 - 3.1/4402=27, 3.1/4489=18...(12) HB2 ARG 55 - HA ALA 38 lone 3 78 - 4 - 4819/3768=1, 4.0/3765=1 QD1 ILE 17 - HA ALA 38 lone 2 63 - 3 - 5.0/3764=1 Peak 4405 from cnoeabs.peaks (0.95, 1.34, 17.52 ppm; 2.95 A): 3 out of 3 assignments used, quality = 0.83: QD1 LEU 37 + QB ALA 38 OK 55 92 - 60 - 161/2.9=11, 4403/2.1=10...(19) QG2 VAL 48 + QB ALA 38 OK 46 100 - 47 - 4576=13, 4403/2.1=8...(13) QD2 LEU 37 + QB ALA 38 OK 29 57 - 51 - 160/2.9=7, 4403/2.1=7...(14) Peak 4406 from cnoeabs.peaks (1.73, 1.34, 17.52 ppm; 4.99 A): 2 out of 8 assignments used, quality = 0.97: HB3 LEU 37 + QB ALA 38 OK 94 100 - 94 - 4.4/1982=37, ~3473=24...(16) HD2 LYS 42 + QB ALA 38 OK 49 97 - 51 - 3.8/4407=16, 3.8/4409=13...(10) HG2 LYS 22 - QB ALA 38 OK 26 89 - 30 - 2.9/4410=7, 158/2.9=4...(9) HB3 ARG 61 - QB ALA 38 OK 24 100 - 24 - ~4688=12, 2.9/4414=3...(5) HB3 LYS 58 - QB ALA 38 OK 21 100 - 20 - 158/2.9=4, 4.0/788=3...(9) HB2 ARG 56 - QB ALA 38 lone 8 97 - 9 - 3.0/4411=2, 158/2.9=1 HD2 LYS 49 - QB ALA 38 poor 7 63 - 11 - 3.7/4407=3, 3.0/4414=2, ~159=1 HD3 LYS 49 - QB ALA 38 poor 7 60 - 11 - 3.7/4407=3, 3.0/4414=2, ~159=1 Peak 4407 from cnoeabs.peaks (1.89, 1.34, 17.52 ppm; 4.10 A): 4 out of 4 assignments used, quality = 0.74: HB2 LYS 42 + QB ALA 38 OK 49 100 - 49 - 4.7/4394=15, 1.8/4409=14...(8) HG LEU 41 + QB ALA 38 OK 36 73 - 49 - 3.0/4461=14, ~3768=7...(12) HB2 GLU 33 + QB ALA 38 OK 13 99 - 13 - 4.6/626=5, 4363/4364=2 HB3 LYS 49 + QB ALA 38 OK 10 97 - 10 - 4572/4409=2, ~993=1, 3.0/4414=1 Peak 4408 from cnoeabs.peaks (2.06, 1.34, 17.52 ppm; 3.45 A): 5 out of 8 assignments used, quality = 0.89: HB3 GLU 45 + QB ALA 38 OK 49 98 - 50 - 4.0/4397=15, 3.0/4410=14...(11) HB2 GLU 45 + QB ALA 38 OK 48 97 - 50 - 4.0/4397=15, 3.0/4410=14...(11) HG3 GLU 45 + QB ALA 38 OK 48 90 - 53 - 1.8/4410=18, 4.7/4397=13...(10) HB2 LYS 22 + QB ALA 38 OK 16 100 - 16 - 1.8/4410=5, 4.0/4395=2...(6) HB3 GLU 20 + QB ALA 38 OK 10 92 - 11 - 1.8/4409=3, 4.1/4394=3...(4) HB3 ARG 56 - QB ALA 38 lone 3 85 - 3 - 3.0/4411=1 HB VAL 16 - QB ALA 38 lone 1 85 - 2 - HB2 GLN 63 - QB ALA 38 lone 1 78 - 1 - Peak 4409 from cnoeabs.peaks (2.16, 1.34, 17.52 ppm; 4.29 A): 3 out of 4 assignments used, quality = 0.85: HB VAL 48 + QB ALA 38 OK 61 99 - 62 - 2.1/4405=17, 4570=14...(11) HB3 LYS 42 + QB ALA 38 OK 53 100 - 54 - 1.8/4407=18, 4.7/4394=16...(7) HB2 GLU 20 + QB ALA 38 OK 16 99 - 15 - 4.1/4394=4, 1.8/4408=3...(6) HB2 GLN 53 - QB ALA 38 lone 7 99 - 7 - 3804/4412=1, 4.0/4395=1 Peak 4410 from cnoeabs.peaks (2.39, 1.34, 17.52 ppm; 3.72 A): 3 out of 7 assignments used, quality = 0.75: HG2 GLU 45 + QB ALA 38 OK 63 100 - 63 - 4515=18, 4.7/4397=15...(12) HG3 GLN 47 + QB ALA 38 OK 18 97 - 19 - 4566/4396=4, 3.8/3748=3...(5) HB3 LYS 22 + QB ALA 38 OK 16 95 - 17 - 1.8/4408=4, 4.0/4395=2...(7) HG2 MET 11 - QB ALA 38 lone 6 99 - 6 - 3.8/4413=1, 4733/3.6=1 HG3 GLU 18 - QB ALA 38 lone 3 93 - 3 - HG3 GLN 53 - QB ALA 38 lone 2 71 - 3 - 3.0/4409=1 HD2 ARG 55 - QB ALA 38 lone 1 93 - 1 - Peak 4411 from cnoeabs.peaks (4.09, 1.34, 17.52 ppm; 4.19 A): 2 out of 8 assignments used, quality = 0.92: HA LYS 39 + QB ALA 38 OK 83 99 - 83 - 5.0=59, 3.0/164=25...(11) HA LEU 37 + QB ALA 38 OK 52 63 - 83 - 3.6/1982=35, ~887=15...(15) HA ARG 21 - QB ALA 38 OK 22 89 - 24 - 2.9/4394=5, 3.6/4395=3...(9) HA GLU 33 - QB ALA 38 OK 16 90 - 18 - 3.6/626=7, 3.0/4407=4...(4) HA LYS 58 - QB ALA 38 OK 12 83 - 15 - 3.0/3479=3, 2827=3...(6) HA ARG 56 - QB ALA 38 OK 10 99 - 10 - 3843/3.6=4 HB THR 46 - QB ALA 38 poor 7 63 - 12 - 4.5/4395=5, 3.0/4535=3, ~4402=2 HA SER 24 - QB ALA 38 lone 5 97 - 5 - 3.0/3748=1, 3.0/3748=1 Peak 4412 from cnoeabs.peaks (3.77, 1.34, 17.52 ppm; 4.87 A): 2 out of 6 assignments used, quality = 0.54: HA ARG 34 + QB ALA 38 OK 44 81 - 54 - 3744/2.9=20, 3.6/143=11...(10) HA ILE 50 + QB ALA 38 OK 19 100 - 19 - 996/2.9=6, ~160=4, ~4399=2 HA PHE 52 - QB ALA 38 lone 6 96 - 7 - ~1038=2, 3.6/4395=2 HA GLN 15 - QB ALA 38 lone 6 71 - 8 - 996/2.9=3, ~3766=1 HA3 GLY 69 - QB ALA 38 lone 1 78 - 2 - HA2 GLY 69 - QB ALA 38 lone 1 76 - 2 - Peak 4413 from cnoeabs.peaks (4.64, 1.34, 17.52 ppm; 4.23 A): 0 out of 2 assignments used, low quality = 0.44: HA THR 44 - QB ALA 38 OK 44 98 - 45 - 3.6/4397=25, 2.9/4396=24 HA MET 11 - QB ALA 38 lone 3 92 - 4 - 3.8/4410=2 Peak 4414 from cnoeabs.peaks (1.59, 1.34, 17.52 ppm; 4.14 A): 3 out of 9 assignments used, quality = 0.92: HB3 LEU 43 + QB ALA 38 OK 80 97 - 82 - ~4402=22, 4489/2.1=21...(13) HB2 LEU 41 + QB ALA 38 OK 41 73 - 56 - 1.8/4461=17, 3.0/4407=10...(11) HG3 ARG 34 + QB ALA 38 OK 32 99 - 33 - 4.0/4412=11, 4.9/626=5...(12) HG3 ARG 61 - QB ALA 38 OK 18 100 - 18 - ~4688=9, 2.9/4406=2...(4) HG2 ARG 61 - QB ALA 38 OK 18 100 - 18 - ~4688=9, 2.9/4406=2...(4) HG3 ARG 21 - QB ALA 38 OK 11 97 - 12 - 4.7/4394=3, 3.9/4411=3 HG2 LYS 49 - QB ALA 38 poor 8 78 - 10 - 3.0/4407=3 HB3 LEU 64 - QB ALA 38 lone 7 73 - 9 - ~3473=2, ~157=2...(4) HG LEU 68 - QB ALA 38 lone 3 78 - 4 - Peak 4415 from cnoeabs.peaks (8.43, 1.92, 32.12 ppm; 4.80 A): 2 out of 4 assignments used, quality = 0.95: H ALA 38 + HB3 LYS 39 OK 78 100 - 78 - 162/3.9=36, 1004/4.1=25...(10) H ALA 38 + HB2 LYS 39 OK 78 99 - 78 - 162/3.9=36, 1004/4.1=25...(10) H GLU 20 - HB3 LYS 39 lone 7 78 - 8 - 1004/4.1=3, 162/3.9=2 H GLU 20 - HB2 LYS 39 lone 7 78 - 8 - 1004/4.1=3, 162/3.9=2 Peak 4418 from cnoeabs.peaks (1.33, 4.08, 59.02 ppm; 4.18 A): 6 out of 12 assignments used, quality = 0.93: QB ALA 38 + HA LYS 39 OK 80 97 - 83 - 5.0=59, 164/3.0=24...(11) HG3 LYS 42 + HA LYS 39 OK 21 83 - 26 - 4.9/4893=13, 164/3.0=3...(6) HG2 LYS 42 + HA LYS 39 OK 21 83 - 26 - 4.9/4893=13, 164/3.0=3...(6) HG2 ARG 34 + HA GLU 33 OK 20 85 - 24 - 626/3.6=14, ~618=4...(5) HG2 LYS 58 + HA LYS 39 OK 19 71 - 27 - 164/3.0=5, ~2863=4...(10) QB ALA 38 + HA GLU 33 OK 15 82 - 18 - 626/3.6=7, 4411=4...(4) HG2 ARG 34 - HA LYS 39 lone 10 99 - 10 - 164/3.0=3, 4419/3.6=1 HD3 LYS 27 - HA LYS 39 lone 9 100 - 9 - ~4417=2, 164/3.0=2 HG3 LYS 42 - HA GLU 33 lone 6 67 - 9 - 4.9/4893=5, 626/3.6=1 HG2 LYS 42 - HA GLU 33 lone 6 67 - 9 - 4.9/4893=5, 626/3.6=1 HD3 LYS 27 - HA GLU 33 lone 5 88 - 5 - 626/3.6=1 HG2 LYS 58 - HA GLU 33 lone 2 56 - 3 - Peak 4422 from cnoeabs.peaks (1.91, 4.37, 55.84 ppm; 4.62 A): 2 out of 7 assignments used, quality = 0.92: HB2 LYS 39 + HA ASN 40 OK 73 95 - 77 - 167/3.0=20, ~167=15...(14) HB3 LYS 39 + HA ASN 40 OK 71 92 - 77 - 167/3.0=20, ~167=15...(14) HB2 LYS 42 - HA ASN 40 lone 7 85 - 8 - ~4467=2, 668/3.6=2, ~4419=1 HB2 ARG 34 - HA ASN 40 poor 7 60 - 12 - 4.3/980=3, ~4425=2...(5) HB2 GLU 33 - HA ASN 40 lone 5 68 - 8 - ~3762=1, ~3760=1 HB ILE 50 - HA ASN 40 lone 4 65 - 5 - 168/3.0=1 HB3 LYS 49 - HA ASN 40 lone 3 63 - 5 - ~1006=2 Peak 4423 from cnoeabs.peaks (1.43, 4.37, 55.84 ppm; 4.26 A): 2 out of 9 assignments used, quality = 0.90: HB3 LEU 41 + HA ASN 40 OK 71 100 - 71 - 667/3.6=18, ~4447=13...(13) HG2 LYS 39 + HA ASN 40 OK 65 100 - 65 - 2.9/4422=12, 169/3.0=12...(13) HB2 LYS 27 - HA ASN 40 lone 9 97 - 9 - 4198/2.9=3, 169/3.0=2...(5) HG3 LYS 58 - HA ASN 40 lone 6 68 - 8 - ~4419=3, 169/3.0=2, ~170=1 HG2 LYS 62 - HA ASN 40 lone 5 100 - 5 - 169/3.0=1 HG3 LYS 62 - HA ASN 40 lone 5 100 - 5 - 169/3.0=1 HG2 LYS 60 - HA ASN 40 lone 5 100 - 5 - 169/3.0=1 HG3 LYS 60 - HA ASN 40 lone 5 100 - 5 - 169/3.0=1 HG3 ARG 56 - HA ASN 40 lone 3 71 - 4 - Peak 4424 from cnoeabs.peaks (0.73, 4.37, 55.84 ppm; 4.52 A): 2 out of 4 assignments used, quality = 0.95: QD2 LEU 41 + HA ASN 40 OK 78 93 - 84 - 669/3.6=26, 4447/2.9=26...(13) QD1 LEU 41 + HA ASN 40 OK 75 90 - 84 - 670/3.6=23, ~4447=19...(14) HG LEU 29 - HA ASN 40 OK 18 99 - 17 - 669/3.6=5, 4421/3.0=4...(5) HB2 LEU 19 - HA ASN 40 poor 7 68 - 11 - 670/3.6=4, 4430/2.9=2...(5) Peak 4425 from cnoeabs.peaks (1.87, 2.76, 38.33 ppm; 4.53 A): 4 out of 6 assignments used, quality = 0.88: HG LEU 41 + HB2 ASN 40 OK 81 100 - 82 - 4445/1.8=31, ~4447=24...(12) HG2 ARG 21 + HB2 ASN 40 OK 17 97 - 17 - 4428/1.8=4, 668/4.2=3...(4) HB3 ARG 34 + HB2 ASN 40 OK 15 97 - 15 - 4790/4382=4, 4428/1.8=4...(4) HB2 GLU 33 + HB2 ASN 40 OK 12 93 - 13 - 4428/1.8=4, 3.0/3760=3...(5) HB2 LYS 42 - HB2 ASN 40 poor 10 81 - 12 - 668/4.2=6, 4428/1.8=3 HB3 LYS 49 - HB2 ASN 40 lone 6 96 - 6 - 4428/1.8=2, 668/4.2=1 Peak 4426 from cnoeabs.peaks (0.95, 2.76, 38.33 ppm; 4.48 A): 3 out of 3 assignments used, quality = 0.94: QD1 LEU 37 + HB2 ASN 40 OK 79 92 - 87 - 4382=40, 3.8/3759=31...(12) QG2 VAL 48 + HB2 ASN 40 OK 47 100 - 47 - 4429/1.8=14, 4420/3.9=11...(11) QD2 LEU 37 + HB2 ASN 40 OK 40 57 - 70 - 2.1/4382=37, 3.8/3759=31...(7) Peak 4427 from cnoeabs.peaks (0.73, 2.76, 38.33 ppm; 4.64 A): 2 out of 4 assignments used, quality = 0.96: QD2 LEU 41 + HB2 ASN 40 OK 82 93 - 88 - 4447/1.8=33, 4.8/177=26...(14) QD1 LEU 41 + HB2 ASN 40 OK 80 90 - 89 - 4.8/177=26, ~4447=26...(15) HG LEU 29 - HB2 ASN 40 OK 21 99 - 20 - 669/4.2=5, 4430/1.8=4...(5) HB2 LEU 19 - HB2 ASN 40 poor 9 68 - 13 - 670/4.2=3, 4377/4382=3...(5) Peak 4428 from cnoeabs.peaks (1.87, 2.70, 38.33 ppm; 4.42 A): 5 out of 6 assignments used, quality = 0.89: HG LEU 41 + HB3 ASN 40 OK 81 99 - 82 - 2.1/4447=32, 4445=25...(12) HG2 ARG 21 + HB3 ASN 40 OK 15 93 - 16 - 4425/1.8=4, 668/4.2=3...(4) HB3 ARG 34 + HB3 ASN 40 OK 13 93 - 14 - 4425/1.8=4, 4390/3761=3...(4) HB2 GLU 33 + HB3 ASN 40 OK 12 97 - 12 - 4425/1.8=3, 3.0/3762=3...(5) HB2 LYS 42 + HB3 ASN 40 OK 10 89 - 11 - 668/4.2=6, 4425/1.8=3 HB3 LYS 49 - HB3 ASN 40 lone 5 99 - 5 - 4425/1.8=2, 668/4.2=1 Peak 4429 from cnoeabs.peaks (0.95, 2.70, 38.33 ppm; 4.38 A): 2 out of 2 assignments used, quality = 0.88: QD1 LEU 37 + HB3 ASN 40 OK 79 97 - 81 - 4382/1.8=37, 3.8/3761=28...(11) QG2 VAL 48 + HB3 ASN 40 OK 45 100 - 44 - 4426/1.8=11, 4420/3.9=10...(10) Peak 4430 from cnoeabs.peaks (0.73, 2.70, 38.33 ppm; 4.66 A): 2 out of 4 assignments used, quality = 0.96: QD1 LEU 41 + HB3 ASN 40 OK 84 97 - 87 - 2.1/4447=35, 4.8/178=24...(14) QD2 LEU 41 + HB3 ASN 40 OK 74 85 - 87 - 4447=35, 4.8/178=24...(14) HG LEU 29 - HB3 ASN 40 OK 20 97 - 20 - 669/4.2=4, 4427/1.8=4...(5) HB2 LEU 19 - HB3 ASN 40 OK 10 81 - 13 - 670/4.2=4, 4377/4429=3...(5) Peak 4435 from cnoeabs.peaks (7.78, 1.43, 42.54 ppm; 4.68 A): 1 out of 1 assignment used, quality = 0.81: HE21 GLN 15 + HB3 LEU 41 OK 81 89 - 91 - 4830/3.0=27, 4436/3.1=27...(18) Peak 4436 from cnoeabs.peaks (7.79, 0.75, 22.71 ppm; 5.08 A): 1 out of 1 assignment used, quality = 0.96: HE21 GLN 15 + QD2 LEU 41 OK 96 99 - 97 - 4435/3.1=35, 4035=35...(22) Peak 4437 from cnoeabs.peaks (7.54, 0.75, 22.71 ppm; 4.71 A): 2 out of 4 assignments used, quality = 0.73: H GLU 18 + QD2 LEU 41 OK 63 93 - 68 - 4.9/4093=19, 4.9/4450=14...(12) QE PHE 52 + QD2 LEU 41 OK 27 98 - 27 - 4707/4818=13, 4440/2.1=7...(4) H TYR 57 - QD2 LEU 41 lone 6 68 - 9 - ~4851=1, 38/2.1=1 HE21 GLN 63 - QD2 LEU 41 lone 5 99 - 5 - 4440/2.1=1 Peak 4438 from cnoeabs.peaks (7.97, 0.72, 26.10 ppm; 4.60 A): 2 out of 3 assignments used, quality = 0.76: H LEU 19 + QD1 LEU 41 OK 71 97 - 73 - 4.7/4816=28, 4.7/4817=14...(14) H HIS 36 + QD1 LEU 41 OK 18 90 - 20 - 4.7/2128=7, 886/4.8=4...(4) H LYS 60 - QD1 LEU 41 lone 3 98 - 3 - Peak 4439 from cnoeabs.peaks (7.77, 0.72, 26.10 ppm; 5.59 A): 3 out of 3 assignments used, quality = 0.78: HE21 GLN 15 + QD1 LEU 41 OK 66 68 - 98 - 4435/3.1=40, 4436/2.1=32...(22) QD PHE 52 + QD1 LEU 41 OK 22 76 - 29 - 2.2/4440=11, ~4437=9...(5) H ARG 56 + QD1 LEU 41 OK 15 76 - 20 - 4.7/4817=6, 4.5/2128=3...(7) Peak 4440 from cnoeabs.peaks (7.53, 0.72, 26.10 ppm; 5.02 A): 3 out of 6 assignments used, quality = 0.89: H GLN 15 + QD1 LEU 41 OK 63 87 - 73 - 3.0/4454=15, ~4446=14...(12) H GLU 18 + QD1 LEU 41 OK 50 65 - 76 - 4437/2.1=23, 4.7/4438=21...(16) QE PHE 52 + QD1 LEU 41 OK 41 100 - 41 - 4707/4816=20...(6) HE21 GLN 63 - QD1 LEU 41 lone 7 99 - 6 - 4437/2.1=2 H TYR 28 - QD1 LEU 41 lone 3 78 - 4 - HE22 GLN 53 - QD1 LEU 41 lone 2 76 - 3 - Peak 4442 from cnoeabs.peaks (2.31, 1.62, 42.54 ppm; 4.55 A): 2 out of 32 assignments used, quality = 0.94: HG2 GLN 15 + HB2 LEU 41 OK 92 99 - 92 - 4024/1.8=27, ~4443=20...(20) HG2 GLU 18 + HB2 LEU 41 OK 34 60 - 58 - ~4093=18, ~4449=15...(9) HB3 PRO 32 - HB2 LEU 41 lone 10 100 - 10 - 4444/1.8=2, ~4454=2...(5) HG2 GLN 15 - HB3 LEU 68 poor 8 74 - 11 - 3.5/406=2, 3.5/414=2...(6) HG3 GLN 26 - HB2 LEU 41 lone 6 90 - 7 - 4444/1.8=2, ~4444=1 HG2 GLN 26 - HB2 LEU 41 lone 6 89 - 7 - 4444/1.8=2, ~4444=1 HG2 GLN 15 - HB2 LEU 68 poor 6 55 - 11 - 3.5/406=2, 3.5/414=2...(6) HG2 GLN 15 - HB3 LEU 64 lone 6 94 - 6 - HB3 GLU 33 - HB2 LEU 41 lone 5 96 - 5 - ~1989=1, 4444/1.8=1 HG2 GLU 67 - HB2 LEU 41 lone 4 71 - 6 - 4444/1.8=1 HB3 PRO 32 - HB3 LEU 68 lone 3 76 - 5 - ~4294=1 HB3 PRO 32 - HB3 LEU 64 lone 3 96 - 3 - HB3 PRO 32 - HB2 LEU 68 lone 3 57 - 5 - ~4294=1 HG2 GLU 33 - HB2 LEU 41 lone 2 87 - 3 - HB3 GLU 33 - HB3 LEU 64 lone 1 89 - 1 - HG3 GLN 26 - HB3 LEU 64 lone 1 83 - 1 - HG2 GLN 26 - HB3 LEU 64 lone 1 82 - 1 - HG3 GLN 26 - HB3 LEU 68 lone 1 63 - 2 - HG2 GLU 33 - HB3 LEU 64 lone 1 80 - 1 - HG2 GLN 26 - HB3 LEU 68 lone 1 61 - 2 - HB3 GLU 33 - HB3 LEU 68 lone 1 69 - 1 - HG2 GLU 18 - HB3 LEU 64 lone 1 54 - 2 - HG2 GLU 67 - HB3 LEU 64 lone 1 64 - 1 - HG3 GLN 26 - HB2 LEU 68 lone 1 46 - 2 - HG2 GLU 33 - HB3 LEU 68 lone 1 60 - 1 - HG2 GLN 26 - HB2 LEU 68 lone 1 45 - 2 - HB3 GLU 33 - HB2 LEU 68 lone 1 51 - 1 - HG2 GLU 18 - HB3 LEU 68 lone 1 39 - 2 - HG2 GLU 67 - HB3 LEU 68 lone 1 47 - 1 - HG2 GLU 33 - HB2 LEU 68 lone 1 44 - 1 - HG2 GLU 18 - HB2 LEU 68 lone 0 28 - 2 - HG2 GLU 67 - HB2 LEU 68 lone 0 34 - 1 - Peak 4443 from cnoeabs.peaks (2.47, 1.43, 42.54 ppm; 4.57 A): 2 out of 4 assignments used, quality = 0.89: HG3 GLN 15 + HB3 LEU 41 OK 86 92 - 93 - 3.5/4435=28, 1.8/4024=26...(22) HG3 MET 11 + HB3 LEU 41 OK 23 93 - 25 - 4725/4819=6, 4724/4464=4...(10) HB2 ASN 54 - HB3 LEU 41 lone 8 100 - 8 - 4.6/2107=2, 3567/4.0=2 HG2 GLU 20 - HB3 LEU 41 lone 4 99 - 4 - Peak 4444 from cnoeabs.peaks (2.30, 1.43, 42.54 ppm; 4.32 A): 2 out of 8 assignments used, quality = 0.96: HG2 GLN 15 + HB3 LEU 41 OK 92 100 - 92 - 4024=30, 3.5/4435=25...(19) HG2 GLU 18 + HB3 LEU 41 OK 47 83 - 57 - ~4093=17, ~4449=13...(11) HB3 PRO 32 - HB3 LEU 41 lone 8 96 - 9 - 4442/1.8=2, ~4454=1...(4) HG3 GLN 26 - HB3 LEU 41 lone 7 99 - 7 - 4442/1.8=1 HG2 GLN 26 - HB3 LEU 41 lone 7 99 - 7 - 4442/1.8=1 HG2 GLU 67 - HB3 LEU 41 lone 5 90 - 5 - HB3 GLU 33 - HB3 LEU 41 lone 4 81 - 5 - 3.0/1989=1 HG2 GLU 33 - HB3 LEU 41 lone 3 65 - 4 - 4.0/1989=1 Peak 4445 from cnoeabs.peaks (2.72, 1.87, 26.77 ppm; 4.89 A): 1 out of 3 assignments used, quality = 0.68: HB3 ASN 40 + HG LEU 41 OK 68 85 - 80 - 1.8/4425=25, 4428=23...(12) HD2 ARG 56 - HG LEU 41 lone 5 99 - 5 - 178/5.2=1, 4447/2.1=1 HB3 TYR 28 - HG LEU 41 lone 4 100 - 4 - Peak 4446 from cnoeabs.peaks (3.79, 0.75, 22.71 ppm; 3.73 A): 4 out of 5 assignments used, quality = 0.82: HA GLN 15 + QD2 LEU 41 OK 62 100 - 62 - 4019=22, 4019/2.1=11...(14) HA THR 14 + QD2 LEU 41 OK 35 89 - 40 - 3.2/4452=14, 4454/2.1=7...(11) HA ARG 34 + QD2 LEU 41 OK 20 99 - 20 - 4454/2.1=4, 3739/4.8=3...(7) HD3 PRO 32 + QD2 LEU 41 OK 10 100 - 10 - 4454/2.1=2, 2.3/4451=2 HA ILE 50 - QD2 LEU 41 lone 5 78 - 6 - 4454/2.1=1 Peak 4447 from cnoeabs.peaks (2.70, 0.75, 22.71 ppm; 4.56 A): 1 out of 3 assignments used, quality = 0.84: HB3 ASN 40 + QD2 LEU 41 OK 84 100 - 84 - 4.2/669=25, 4428/2.1=23...(15) HD2 ARG 56 - QD2 LEU 41 lone 4 90 - 4 - 178/4.8=1, 4445/2.1=1 HB3 TYR 28 - QD2 LEU 41 lone 3 81 - 4 - Peak 4448 from cnoeabs.peaks (2.47, 0.75, 22.71 ppm; 4.74 A): 2 out of 5 assignments used, quality = 0.96: HG3 GLN 15 + QD2 LEU 41 OK 92 97 - 95 - 3.5/4436=27, 4443/3.1=24...(22) HB2 GLN 15 + QD2 LEU 41 OK 51 57 - 88 - 4.6/4436=22, 2.9/4446=19...(18) HG3 MET 11 - QD2 LEU 41 OK 21 97 - 22 - 4443/3.1=6, 1.8/4449=6...(8) HB2 ASN 54 - QD2 LEU 41 lone 9 100 - 8 - 4443/3.1=2, 4.6/2121=2...(4) HG2 GLU 20 - QD2 LEU 41 lone 5 97 - 5 - 1.8/4093=2, 4443/3.1=1 Peak 4449 from cnoeabs.peaks (2.39, 0.75, 22.71 ppm; 3.97 A): 3 out of 8 assignments used, quality = 0.80: HG3 GLU 18 + QD2 LEU 41 OK 74 95 - 79 - 4093=34, 1.8/4450=21...(14) HG2 MET 11 + QD2 LEU 41 OK 14 99 - 15 - 1.8/4448=3, ~4443=3...(6) HG3 GLN 47 + QD2 LEU 41 OK 10 98 - 11 - 4093=3, 2353/4.8=2...(4) HD2 ARG 55 - QD2 LEU 41 lone 7 95 - 8 - ~4817=2, 1.8/4451=2, ~4457=1 HB3 LYS 22 - QD2 LEU 41 lone 7 93 - 8 - 3.0/2122=2, 4.0/2121=1 HG3 GLU 20 - QD2 LEU 41 lone 4 60 - 6 - 4093=2, 531/4437=1 HG2 GLU 45 - QD2 LEU 41 lone 2 100 - 2 - HG3 GLN 53 - QD2 LEU 41 lone 1 68 - 2 - Peak 4450 from cnoeabs.peaks (2.27, 0.75, 22.71 ppm; 3.46 A): 2 out of 6 assignments used, quality = 0.84: HG2 GLU 18 + QD2 LEU 41 OK 65 100 - 65 - 1.8/4093=22, 4091/2.1=13...(14) HG2 GLN 15 + QD2 LEU 41 OK 53 73 - 73 - 3.5/4436=14, 1.8/4029=11...(21) HG2 GLU 67 - QD2 LEU 41 lone 4 99 - 4 - HG2 GLN 26 - QD2 LEU 41 lone 4 93 - 4 - HG3 GLN 26 - QD2 LEU 41 lone 4 92 - 4 - HG3 GLU 67 - QD2 LEU 41 lone 3 60 - 4 - Peak 4451 from cnoeabs.peaks (1.98, 0.75, 22.71 ppm; 3.19 A): 4 out of 10 assignments used, quality = 0.82: HB3 GLU 18 + QD2 LEU 41 OK 52 85 - 62 - 3.0/4093=14, 3.0/4450=11...(16) HB2 GLU 18 + QD2 LEU 41 OK 52 85 - 62 - 3.0/4093=14, 3.0/4450=11...(16) HB3 ARG 21 + QD2 LEU 41 OK 13 99 - 13 - 4457/2.1=2, 1368/2.1=1...(5) HB2 ARG 21 + QD2 LEU 41 OK 12 97 - 13 - 4457/2.1=2, 1368/2.1=1...(5) HB2 MET 11 - QD2 LEU 41 poor 9 83 - 10 - 3.0/4449=2, 3.0/4448=2...(4) HG2 PRO 32 - QD2 LEU 41 lone 6 100 - 6 - 2.3/4446=2, 4457/2.1=1, ~4454=1 HD3 LYS 22 - QD2 LEU 41 lone 6 90 - 7 - 3.5/4449=1 HD3 ARG 55 - QD2 LEU 41 lone 6 100 - 6 - 1.8/4449=1, 4457/2.1=1, ~4817=1 HB3 GLU 67 - QD2 LEU 41 lone 4 89 - 4 - HB3 GLN 63 - QD2 LEU 41 lone 3 83 - 3 - Peak 4452 from cnoeabs.peaks (1.20, 0.75, 22.71 ppm; 4.06 A): 2 out of 3 assignments used, quality = 0.63: QG2 THR 14 + QD2 LEU 41 OK 47 99 - 48 - 4011/2.1=13, 3.2/4446=8...(14) HB2 LEU 43 + QD2 LEU 41 OK 30 73 - 41 - ~4819=10, ~4820=9...(8) HD2 LYS 27 - QD2 LEU 41 lone 3 60 - 5 - ~4461=2 Peak 4453 from cnoeabs.peaks (4.06, 0.72, 26.10 ppm; 4.96 A): 3 out of 8 assignments used, quality = 0.95: HA LEU 37 + QD1 LEU 41 OK 85 100 - 85 - 4.3/4894=26, 3.8/4377=20...(18) HB THR 14 + QD1 LEU 41 OK 54 96 - 57 - ~4452=19, 2.1/4011=16...(8) HA ARG 21 + QD1 LEU 41 OK 32 93 - 34 - 1352/2.1=4, 1010/4.8=4...(13) HA LYS 39 - QD1 LEU 41 OK 26 71 - 37 - 3.6/4421=9, 3737/4.8=8...(12) HB THR 46 - QD1 LEU 41 OK 12 100 - 12 - 4.5/2128=3, 3522/4.8=3, ~3780=1 HA GLU 33 - QD1 LEU 41 OK 12 92 - 13 - 3737/4.8=3, 4893/187=2...(4) HA ARG 56 - QD1 LEU 41 OK 11 76 - 15 - 3.0/4439=4, 1352/2.1=2...(5) HA SER 24 - QD1 LEU 41 lone 3 81 - 4 - Peak 4454 from cnoeabs.peaks (3.79, 0.72, 26.10 ppm; 4.52 A): 4 out of 5 assignments used, quality = 0.90: HA GLN 15 + QD1 LEU 41 OK 69 100 - 69 - 4446/2.1=21, 2.9/4027=12...(17) HA THR 14 + QD1 LEU 41 OK 44 78 - 57 - ~4452=13, 3.2/4011=12...(11) HA ARG 34 + QD1 LEU 41 OK 31 100 - 31 - 4446/2.1=7, 3739/4.8=4...(11) HD3 PRO 32 + QD1 LEU 41 OK 17 98 - 17 - 4446/2.1=3, 2.3/4457=2...(6) HA ILE 50 - QD1 LEU 41 poor 10 89 - 11 - 4446/2.1=2 Peak 4455 from cnoeabs.peaks (3.61, 0.72, 26.10 ppm; 4.61 A): 3 out of 4 assignments used, quality = 0.88: HA ALA 38 + QD1 LEU 41 OK 55 100 - 55 - 3768/3.1=14, ~4461=12...(12) HA VAL 48 + QD1 LEU 41 OK 51 90 - 56 - 4579/4816=12...(11) HA LEU 19 + QD1 LEU 41 OK 44 65 - 68 - 4.0/4816=33, 2.9/4438=25...(8) HA GLU 45 - QD1 LEU 41 lone 5 60 - 8 - 1009/4.8=1, 4512/4458=1 Peak 4456 from cnoeabs.peaks (2.27, 0.72, 26.10 ppm; 4.77 A): 2 out of 6 assignments used, quality = 0.95: HG2 GLU 18 + QD1 LEU 41 OK 85 100 - 86 - ~4093=25, 4450/2.1=24...(19) HG2 GLN 15 + QD1 LEU 41 OK 69 73 - 94 - 4450/2.1=19, ~4436=19...(23) HG2 GLN 26 - QD1 LEU 41 lone 8 93 - 8 - 4450/2.1=1, ~4450=1, ~4444=1 HG3 GLN 26 - QD1 LEU 41 lone 8 92 - 8 - 4450/2.1=1, ~4450=1, ~4444=1 HG2 GLU 67 - QD1 LEU 41 lone 7 99 - 7 - 4450/2.1=2 HG3 GLU 67 - QD1 LEU 41 lone 5 60 - 7 - ~4450=1 Peak 4457 from cnoeabs.peaks (1.98, 0.72, 26.10 ppm; 3.73 A): 3 out of 10 assignments used, quality = 0.92: HB3 GLU 18 + QD1 LEU 41 OK 69 93 - 74 - 4451/2.1=13, 4.3/4438=12...(19) HB2 GLU 18 + QD1 LEU 41 OK 69 93 - 74 - 4451/2.1=13, 4.3/4438=12...(19) HB3 ARG 21 + QD1 LEU 41 OK 19 96 - 20 - 4451/2.1=3, 3.0/4453=2...(11) HB2 ARG 21 - QD1 LEU 41 OK 18 92 - 20 - 4451/2.1=3, 3.0/4453=2...(11) HB2 MET 11 - QD1 LEU 41 OK 13 92 - 14 - 4451/2.1=2, ~4443=2...(5) HD3 ARG 55 - QD1 LEU 41 OK 13 97 - 13 - 3.7/4817=3, 3.0/4817=3...(4) HG2 PRO 32 - QD1 LEU 41 OK 10 100 - 10 - 2.3/4454=2, 4451/2.1=2...(4) HD3 LYS 22 - QD1 LEU 41 poor 9 81 - 11 - 4160/4894=2, 4451/2.1=2...(4) HB3 GLU 67 - QD1 LEU 41 lone 5 78 - 5 - 4451/2.1=1 HB3 GLN 63 - QD1 LEU 41 lone 4 92 - 4 - Peak 4458 from cnoeabs.peaks (0.94, 0.72, 26.10 ppm; 3.42 A): 3 out of 4 assignments used, quality = 0.88: QD1 LEU 37 + QD1 LEU 41 OK 55 76 - 73 - 2.1/4894=22, 4377=16...(18) QD2 LEU 37 + QD1 LEU 41 OK 55 78 - 70 - 2.1/4894=22, 2.1/4377=17...(15) QG2 VAL 48 + QD1 LEU 41 OK 39 96 - 41 - 4459/2.1=10, 4460/2.1=8...(9) QG2 ILE 50 - QD1 LEU 41 lone 3 68 - 4 - Peak 4459 from cnoeabs.peaks (0.95, 0.75, 22.71 ppm; 3.82 A): 2 out of 2 assignments used, quality = 0.87: QD1 LEU 37 + QD2 LEU 41 OK 75 97 - 78 - 4377/2.1=20, 4460/2.1=20...(20) QG2 VAL 48 + QD2 LEU 41 OK 47 100 - 47 - 4460/2.1=12, 4458/2.1=9...(14) Peak 4460 from cnoeabs.peaks (0.95, 1.87, 26.77 ppm; 4.07 A): 2 out of 2 assignments used, quality = 0.90: QD1 LEU 37 + HG LEU 41 OK 81 98 - 83 - 4459/2.1=23, 4377/2.1=22...(16) QG2 VAL 48 + HG LEU 41 OK 48 100 - 48 - 4459/2.1=15, 4458/2.1=9...(12) Peak 4461 from cnoeabs.peaks (1.33, 1.43, 42.54 ppm; 4.50 A): 4 out of 6 assignments used, quality = 0.70: QB ALA 38 + HB3 LEU 41 OK 58 93 - 63 - 2.1/3768=15, 4407/3.0=11...(15) HG2 ARG 34 + HB3 LEU 41 OK 12 97 - 12 - ~4894=2, 4576/4463=2...(5) HG3 LYS 42 + HB3 LEU 41 OK 11 73 - 15 - 4.9/184=11 HG2 LYS 42 + HB3 LEU 41 OK 11 73 - 15 - 4.9/184=11 HD3 LYS 27 - HB3 LEU 41 lone 9 100 - 8 - 1658=2, 1.8/4462=2 HG2 LYS 58 - HB3 LEU 41 lone 2 60 - 4 - Peak 4462 from cnoeabs.peaks (1.22, 1.43, 42.54 ppm; 4.71 A): 4 out of 5 assignments used, quality = 0.91: HB2 LEU 43 + HB3 LEU 41 OK 68 99 - 69 - 3.1/4819=33, 3.1/4464=24...(9) HG LEU 19 + HB3 LEU 41 OK 45 81 - 56 - ~4816=25, ~4818=21...(7) QG2 THR 14 + HB3 LEU 41 OK 42 96 - 44 - 4452/3.1=16, 4011/3.1=12...(9) HB2 LEU 29 + HB3 LEU 41 OK 10 76 - 13 - ~2098=2, ~4227=2...(6) HD2 LYS 27 - HB3 LEU 41 lone 8 97 - 8 - 1.8/4461=4, 4452/3.1=1 Peak 4463 from cnoeabs.peaks (0.94, 1.43, 42.54 ppm; 4.72 A): 3 out of 4 assignments used, quality = 0.94: QG2 VAL 48 + HB3 LEU 41 OK 62 96 - 64 - 4459/3.1=14, 4460/3.0=12...(15) QD1 LEU 37 + HB3 LEU 41 OK 61 76 - 80 - 4459/3.1=22, 4460/3.0=21...(17) QD2 LEU 37 + HB3 LEU 41 OK 59 78 - 75 - ~4894=19, ~4460=15...(13) QG2 ILE 50 - HB3 LEU 41 lone 4 68 - 6 - Peak 4464 from cnoeabs.peaks (0.84, 1.43, 42.54 ppm; 4.72 A): 1 out of 4 assignments used, quality = 0.64: QD2 LEU 43 + HB3 LEU 41 OK 64 96 - 67 - 2.1/4819=38, ~4820=24...(7) QD2 LEU 68 - HB3 LEU 41 lone 8 90 - 9 - 3651/4.6=4, 4034/4435=1 QD1 LEU 68 - HB3 LEU 41 lone 7 85 - 9 - 3651/4.6=4, 4034/4435=1 QD2 LEU 64 - HB3 LEU 41 lone 5 99 - 5 - 3651/4.6=2 Peak 4467 from cnoeabs.peaks (8.04, 3.98, 57.60 ppm; 4.63 A): 5 out of 6 assignments used, quality = 0.87: H LEU 41 + HA LYS 42 OK 59 90 - 66 - 891/3.0=33, 4441=24...(7) H LEU 37 + HA LYS 42 OK 28 68 - 41 - 4.6/995=8, 181/3.0=8...(14) H LYS 22 + HA LYS 42 OK 27 97 - 28 - 3.6/3716=9, 4.6/3498=5...(6) H GLN 47 + HA LYS 42 OK 22 97 - 23 - 4541/3.0=7, 4499/3.6=6...(4) H ASN 40 + HA LYS 42 OK 22 76 - 29 - 4.6/4441=13, 4.7/1001=7...(7) H GLN 53 - HA LYS 42 lone 7 99 - 7 - 750/3.0=2, 181/3.0=1 Peak 4468 from cnoeabs.peaks (7.79, 1.89, 28.29 ppm; 4.82 A): 1 out of 1 assignment used, quality = 0.79: HE21 GLN 15 + HB2 LYS 42 OK 79 100 - 80 - 4469/1.8=37, ~4039=27...(6) Peak 4469 from cnoeabs.peaks (7.78, 2.15, 28.29 ppm; 4.41 A): 2 out of 2 assignments used, quality = 0.74: HE21 GLN 15 + HB3 LYS 42 OK 71 96 - 75 - 4032=35, 4468/1.8=32...(5) HE21 GLN 15 + HB2 GLN 53 OK 10 77 - 13 - 4032=6, 1.7/4039=6 Peak 4472 from cnoeabs.peaks (0.96, 1.23, 47.68 ppm; 3.83 A): 2 out of 2 assignments used, quality = 0.87: QG2 VAL 48 + HB2 LEU 43 OK 78 99 - 79 - 4577=24, 4476/1.8=23...(15) QD1 LEU 37 + HB2 LEU 43 OK 42 100 - 43 - 4476/1.8=13, 4480/3.1=12...(9) Peak 4473 from cnoeabs.peaks (1.32, 1.23, 47.68 ppm; 4.18 A): 2 out of 4 assignments used, quality = 0.69: QB ALA 38 + HB2 LEU 43 OK 54 68 - 79 - 2.1/4402=32, 4475/1.8=20...(13) HG2 ARG 34 + HB2 LEU 43 OK 34 76 - 45 - 4.0/4317=14, 4475/1.8=11...(8) HD3 LYS 27 - HB2 LEU 43 lone 6 92 - 6 - 4475/1.8=2 QG2 THR 59 - HB2 LEU 43 lone 4 71 - 6 - 691/4.6=2, 4475/1.8=2 Peak 4474 from cnoeabs.peaks (1.83, 1.23, 47.68 ppm; 5.01 A): 2 out of 8 assignments used, quality = 0.99: HB3 GLN 47 + HB2 LEU 43 OK 96 100 - 96 - 1.8/4487=44, 4564/4.6=31...(19) HB3 MET 11 + HB2 LEU 43 OK 79 98 - 80 - ~4720=17, ~4725=16...(16) HD2 LYS 22 - HB2 LEU 43 OK 42 99 - 43 - ~4160=9, ~4484=8...(10) HB ILE 17 - HB2 LEU 43 OK 23 96 - 23 - 2.1/4071=5, 4070=5...(7) HB2 LYS 62 - HB2 LEU 43 lone 7 100 - 6 - 4477/1.8=1 HB2 ARG 61 - HB2 LEU 43 lone 6 92 - 6 - 4477/1.8=1 HB2 LYS 60 - HB2 LEU 43 lone 4 98 - 4 - HB2 LYS 58 - HB2 LEU 43 lone 3 73 - 4 - Peak 4475 from cnoeabs.peaks (1.32, 1.60, 47.68 ppm; 4.46 A): 2 out of 4 assignments used, quality = 0.70: QB ALA 38 + HB3 LEU 43 OK 57 68 - 84 - ~4402=25, 2.1/4489=24...(12) HG2 ARG 34 + HB3 LEU 43 OK 30 76 - 41 - 4473/1.8=14, ~4324=7...(8) HD3 LYS 27 - HB3 LEU 43 lone 5 92 - 5 - 4473/1.8=3 QG2 THR 59 - HB3 LEU 43 lone 5 71 - 6 - 691/4.6=2, 4473/1.8=2 Peak 4476 from cnoeabs.peaks (0.95, 1.60, 47.68 ppm; 3.94 A): 2 out of 2 assignments used, quality = 0.86: QG2 VAL 48 + HB3 LEU 43 OK 76 100 - 76 - 4472/1.8=25, 4480/3.1=20...(15) QD1 LEU 37 + HB3 LEU 43 OK 42 98 - 43 - 4472/1.8=14, 4480/3.1=12...(8) Peak 4477 from cnoeabs.peaks (1.83, 1.60, 47.68 ppm; 4.77 A): 2 out of 8 assignments used, quality = 0.99: HB3 GLN 47 + HB3 LEU 43 OK 95 100 - 95 - ~4487=31, 4564/4.6=28...(19) HB3 MET 11 + HB3 LEU 43 OK 76 98 - 78 - ~4720=15, ~4725=15...(17) HD2 LYS 22 - HB3 LEU 43 OK 41 99 - 41 - 1.8/4160=9, ~4484=8...(11) HB ILE 17 - HB3 LEU 43 OK 18 96 - 18 - 4070/1.8=5, ~4071=4...(6) HB2 ARG 61 - HB3 LEU 43 lone 6 92 - 6 - HB2 LYS 62 - HB3 LEU 43 lone 6 100 - 6 - 4474/1.8=1 HB2 LYS 60 - HB3 LEU 43 lone 4 98 - 4 - HB2 LYS 58 - HB3 LEU 43 lone 3 73 - 3 - Peak 4478 from cnoeabs.peaks (0.53, 0.66, 27.60 ppm; 3.68 A): 1 out of 1 assignment used, quality = 0.53: QD2 LEU 19 + QD1 LEU 43 OK 53 100 - 53 - 2.1/4703=26, 2.1/4109=20...(8) Peak 4479 from cnoeabs.peaks (-0.29, 0.66, 27.60 ppm; 3.78 A): 2 out of 3 assignments used, quality = 0.73: QD1 LEU 19 + QD1 LEU 43 OK 70 97 - 72 - 4703=38, 2.1/4478=36...(6) HG2 ARG 55 + QD1 LEU 43 OK 10 99 - 10 - 3.0/4481=3, 5.1/764=2, ~4484=1 HB3 ARG 55 - QD1 LEU 43 poor 10 95 - 10 - 3.7/4481=3, 4.0/764=3, 4.7/281=2 Peak 4480 from cnoeabs.peaks (0.95, 0.66, 27.60 ppm; 3.47 A): 2 out of 2 assignments used, quality = 0.75: QG2 VAL 48 + QD1 LEU 43 OK 61 100 - 61 - 4472/3.1=15, 4871/2.1=15...(14) QD1 LEU 37 + QD1 LEU 43 OK 37 98 - 38 - 4378/4478=11, 4472/3.1=8...(9) Peak 4481 from cnoeabs.peaks (1.96, 0.66, 27.60 ppm; 3.97 A): 5 out of 8 assignments used, quality = 0.73: HB2 ARG 34 + QD1 LEU 43 OK 34 83 - 41 - 4484/2.1=12, ~4317=8...(11) HD3 LYS 22 + QD1 LEU 43 OK 32 100 - 33 - 4484/2.1=11, 4160/3.1=6...(11) HB2 ARG 21 + QD1 LEU 43 OK 16 99 - 16 - 4484/2.1=5, ~4484=3...(7) HB3 ARG 21 + QD1 LEU 43 OK 16 97 - 16 - 4484/2.1=5, ~4484=4...(7) HD3 ARG 55 + QD1 LEU 43 OK 16 95 - 16 - 3.0/4479=4, 4484/2.1=3...(7) HB ILE 50 - QD1 LEU 43 lone 5 78 - 6 - 4484/2.1=2, 4545/4549=1 HG2 PRO 32 - QD1 LEU 43 lone 4 76 - 5 - 4484/2.1=1 HB3 GLU 67 - QD1 LEU 43 lone 3 100 - 3 - Peak 4482 from cnoeabs.peaks (1.82, 0.66, 27.60 ppm; 5.01 A): 3 out of 9 assignments used, quality = 1.00: HB3 GLN 47 + QD1 LEU 43 OK 96 100 - 97 - 4551=41, 4564/4.7=29...(21) HB3 MET 11 + QD1 LEU 43 OK 83 95 - 88 - 3.0/4720=31, 3.0/4725=30...(17) HD2 LYS 22 + QD1 LEU 43 OK 45 100 - 46 - 1.8/4481=12, ~4484=10...(10) HB ILE 17 - QD1 LEU 43 OK 16 90 - 18 - 4070/3.1=4, ~4071=3...(6) HB2 PRO 32 - QD1 LEU 43 poor 8 68 - 11 - ~4294=3, ~3728=2...(5) HB2 LYS 62 - QD1 LEU 43 lone 6 99 - 6 - HB2 ARG 61 - QD1 LEU 43 lone 5 97 - 5 - HB2 LYS 60 - QD1 LEU 43 lone 4 95 - 4 - HB2 LYS 58 - QD1 LEU 43 lone 2 83 - 3 - Peak 4483 from cnoeabs.peaks (2.49, 0.66, 27.60 ppm; 4.89 A): 3 out of 5 assignments used, quality = 1.00: HG3 GLN 15 + QD1 LEU 43 OK 98 100 - 98 - 1.8/4026=29, 4030=27...(18) HG3 MET 11 + QD1 LEU 43 OK 89 100 - 90 - 4725=43, 1.8/4720=36...(17) HB2 GLN 15 + QD1 LEU 43 OK 77 92 - 84 - 1.8/4023=28, 4021=26...(8) HB2 ASN 54 - QD1 LEU 43 lone 7 93 - 7 - 4.6/764=4 HG2 GLU 20 - QD1 LEU 43 lone 2 68 - 3 - Peak 4484 from cnoeabs.peaks (1.96, 0.85, 24.31 ppm; 3.41 A): 4 out of 8 assignments used, quality = 0.53: HB2 ARG 34 + QD2 LEU 43 OK 25 89 - 28 - 4481/2.1=7, ~4317=6...(8) HD3 LYS 22 + QD2 LEU 43 OK 22 100 - 22 - 4481/2.1=7, 4160/3.1=5...(7) HB2 ARG 21 + QD2 LEU 43 OK 11 97 - 11 - 4481/2.1=3, 4.0/2253=2, ~4481=2 HB3 ARG 21 + QD2 LEU 43 OK 10 93 - 11 - 4481/2.1=3, 4.0/2253=2, ~4481=2 HD3 ARG 55 - QD2 LEU 43 lone 7 90 - 7 - 4481/2.1=3, ~4479=1, 1.8/4492=1 HB ILE 50 - QD2 LEU 43 lone 5 85 - 6 - 4557/4496=2, 4560/4848=2 HG2 PRO 32 - QD2 LEU 43 lone 2 68 - 3 - HB3 GLU 67 - QD2 LEU 43 lone 2 100 - 2 - Peak 4487 from cnoeabs.peaks (2.59, 1.23, 47.68 ppm; 4.61 A): 1 out of 1 assignment used, quality = 0.92: HB2 GLN 47 + HB2 LEU 43 OK 92 100 - 93 - 4546/1.8=25, 4563/4.6=25...(19) Peak 4488 from cnoeabs.peaks (3.61, 1.23, 47.68 ppm; 3.88 A): 2 out of 4 assignments used, quality = 0.92: HA ALA 38 + HB2 LEU 43 OK 82 100 - 82 - 4402=38, 4404/3.1=23...(11) HA VAL 48 + HB2 LEU 43 OK 54 90 - 60 - 3.2/4472=18, 4578/3.1=12...(10) HA LEU 19 - HB2 LEU 43 lone 6 65 - 9 - 4491/3.1=5, 2.9/536=2 HA GLU 45 - HB2 LEU 43 lone 5 60 - 8 - 4512/4472=3, 4520/1.8=1 Peak 4489 from cnoeabs.peaks (3.60, 1.60, 47.68 ppm; 4.26 A): 2 out of 2 assignments used, quality = 0.90: HA ALA 38 + HB3 LEU 43 OK 81 98 - 83 - 4402/1.8=34, 4404/3.1=27...(9) HA VAL 48 + HB3 LEU 43 OK 48 71 - 68 - 3.2/4476=21, 4488/1.8=15...(10) Peak 4490 from cnoeabs.peaks (2.57, 1.60, 47.68 ppm; 4.53 A): 2 out of 2 assignments used, quality = 0.97: HB2 GLN 47 + HB3 LEU 43 OK 88 95 - 93 - 4487/1.8=28, 4546=27...(19) HG2 GLN 47 + HB3 LEU 43 OK 77 83 - 93 - ~4487=22, 3.0/4546=19...(23) Peak 4491 from cnoeabs.peaks (3.61, 0.66, 27.60 ppm; 4.31 A): 2 out of 4 assignments used, quality = 0.95: HA ALA 38 + QD1 LEU 43 OK 84 100 - 84 - 4404=38, 4402/3.1=28...(12) HA VAL 48 + QD1 LEU 43 OK 71 90 - 79 - 3.2/4480=23, 4578=20...(17) HA LEU 19 - QD1 LEU 43 OK 39 65 - 60 - 4.0/4478=29, 4.0/4703=23...(7) HA GLU 45 - QD1 LEU 43 lone 5 60 - 8 - 4512/4480=3, 4520/3.1=1 Peak 4492 from cnoeabs.peaks (2.39, 0.85, 24.31 ppm; 3.52 A): 4 out of 7 assignments used, quality = 0.94: HG3 GLN 47 + QD2 LEU 43 OK 72 95 - 77 - 3.4/4496=18, 3.0/4550=12...(19) HG2 MET 11 + QD2 LEU 43 OK 69 100 - 70 - 4719=21, 4720/2.1=16...(18) HB3 LYS 22 + QD2 LEU 43 OK 17 97 - 18 - 3.5/4484=6, 3.5/4845=3...(7) HG2 GLU 45 + QD2 LEU 43 OK 15 99 - 16 - 4514/2.1=4, 4519/3.1=3...(6) HD2 ARG 55 - QD2 LEU 43 lone 7 89 - 8 - 1.8/4484=3, ~4481=2, ~4479=2 HG3 GLU 18 - QD2 LEU 43 lone 6 89 - 6 - ~4090=2, 4092/3.1=1 HG3 GLN 53 - QD2 LEU 43 lone 1 78 - 1 - Peak 4493 from cnoeabs.peaks (7.78, 1.47, 26.44 ppm; 4.49 A): 1 out of 1 assignment used, quality = 0.90: HE21 GLN 15 + HG LEU 43 OK 90 96 - 95 - 1.7/4498=38, 4494/2.1=34...(11) Peak 4494 from cnoeabs.peaks (7.80, 0.85, 24.31 ppm; 3.93 A): 1 out of 2 assignments used, quality = 0.92: HE21 GLN 15 + QD2 LEU 43 OK 92 100 - 93 - 1.7/4497=43, 4034=37...(13) H VAL 16 - QD2 LEU 43 poor 6 63 - 10 - 4.7/4846=6, 3364/4846=1 Peak 4496 from cnoeabs.peaks (6.89, 0.85, 24.31 ppm; 4.37 A): 1 out of 3 assignments used, quality = 0.67: HE21 GLN 47 + QD2 LEU 43 OK 67 95 - 71 - 4558=24, 1.7/4848=23...(11) HD22 ASN 54 - QD2 LEU 43 lone 2 96 - 2 - HE22 GLN 63 - QD2 LEU 43 lone 1 73 - 1 - Peak 4497 from cnoeabs.peaks (6.69, 0.85, 24.31 ppm; 3.53 A): 1 out of 1 assignment used, quality = 0.87: HE22 GLN 15 + QD2 LEU 43 OK 87 100 - 87 - 4041=39, 1.7/4494=29...(12) Peak 4498 from cnoeabs.peaks (6.70, 1.47, 26.44 ppm; 4.59 A): 1 out of 1 assignment used, quality = 0.96: HE22 GLN 15 + HG LEU 43 OK 96 100 - 96 - 4497/2.1=47, 1.7/4493=41...(11) Peak 4502 from cnoeabs.peaks (8.34, 1.28, 21.70 ppm; 4.52 A): 0 out of 6 assignments used, low quality = 0.26: H LEU 43 - QG2 THR 44 OK 26 97 - 27 - 4.5/2275=26 H ARG 21 - QG2 THR 59 poor 7 50 - 14 - 2.9/4838=7, ~4840=6 H LEU 43 - QG2 THR 59 lone 7 83 - 8 - 4.5/691=5 H ARG 21 - QG2 THR 44 lone 2 63 - 4 - 2.9/4838=2 H SER 65 - QG2 THR 44 lone 1 92 - 1 - H SER 65 - QG2 THR 59 lone 1 77 - 1 - Peak 4503 from cnoeabs.peaks (7.18, 1.28, 21.70 ppm; 4.45 A): 0 out of 6 assignments used, low quality = 0.39: QE PHE 23 - QG2 THR 59 OK 23 88 - 26 - 2.2/4504=17, 4638/4838=3...(6) QE PHE 23 - QG2 THR 44 OK 21 100 - 21 - 2.2/4504=16, ~4539=2 HZ PHE 52 - QG2 THR 44 lone 2 100 - 2 - H GLU 33 - QG2 THR 59 lone 1 45 - 3 - ~4840=1 HZ PHE 52 - QG2 THR 59 lone 1 89 - 2 - H GLU 33 - QG2 THR 44 lone 1 57 - 2 - Peak 4504 from cnoeabs.peaks (6.94, 1.28, 21.70 ppm; 4.54 A): 0 out of 4 assignments used, low quality = 0.41: HZ PHE 23 - QG2 THR 59 OK 24 87 - 28 - 2.2/4503=17, 4656=8, 4674/4838=4 HZ PHE 23 - QG2 THR 44 OK 23 99 - 23 - 2.2/4503=16, 4656=6, 4674/4838=2 HE21 GLN 53 - QG2 THR 44 lone 2 99 - 2 - HE21 GLN 53 - QG2 THR 59 lone 1 87 - 2 - Peak 4509 from cnoeabs.peaks (2.56, 1.28, 21.70 ppm; 4.67 A): 2 out of 4 assignments used, quality = 0.53: HG2 GLN 47 + QG2 THR 44 OK 33 90 - 36 - 4565/4.0=22, 4554=17 HB2 GLN 47 + QG2 THR 44 OK 31 89 - 35 - 4563/4.0=24, 3.0/4554=13 HG2 GLN 47 - QG2 THR 59 lone 5 76 - 6 - 4554=3, 4565/691=2 HB2 GLN 47 - QG2 THR 59 lone 4 74 - 6 - 4563/691=2, 3.0/4554=2 Peak 4511 from cnoeabs.peaks (1.34, 3.64, 61.08 ppm; 3.26 A): 5 out of 6 assignments used, quality = 0.79: QB ALA 38 + HA GLU 45 OK 46 99 - 46 - 4397/3.0=16, 4410/3.9=10...(10) HG2 ARG 34 + HA GLU 45 OK 45 100 - 46 - 4517/3.9=7, 4515/3.9=7...(14) HD3 LYS 27 + HA GLU 45 OK 11 100 - 10 - 1656/3.6=2, 4510/3.0=2...(4) HG3 LYS 42 + HA GLU 45 OK 10 89 - 11 - 2.9/3773=3, 4510/3.0=1...(4) HG2 LYS 42 + HA GLU 45 OK 10 89 - 11 - 2.9/3773=3, 4510/3.0=1...(4) HG2 LYS 58 - HA GLU 45 lone 3 78 - 3 - Peak 4512 from cnoeabs.peaks (0.96, 3.64, 61.08 ppm; 3.99 A): 2 out of 2 assignments used, quality = 0.68: QG2 VAL 48 + HA GLU 45 OK 62 99 - 63 - 2.1/3773=28, 4.1/3775=17...(10) QD1 LEU 37 + HA GLU 45 OK 16 100 - 16 - 4405/4511=2, 2.1/4520=2...(7) Peak 4513 from cnoeabs.peaks (1.34, 2.05, 29.23 ppm; 4.24 A): 4 out of 18 assignments used, quality = 1.00: HG2 ARG 34 + HB3 GLU 45 OK 83 100 - 83 - 4517/3.0=14, 4511/3.0=14...(19) HG2 ARG 34 + HB2 GLU 45 OK 83 100 - 83 - 4517/3.0=14, 4511/3.0=14...(19) QB ALA 38 + HB3 GLU 45 OK 69 100 - 70 - 4397/4.0=23, 4410/3.0=20...(12) QB ALA 38 + HB2 GLU 45 OK 69 100 - 70 - 4397/4.0=23, 4410/3.0=20...(12) HG2 LYS 42 - HB3 GLU 45 OK 18 95 - 19 - 4511/3.0=3, ~3773=3...(9) HG3 LYS 42 - HB3 GLU 45 OK 18 95 - 19 - 4511/3.0=3, ~3773=3...(9) HG2 LYS 42 - HB2 GLU 45 OK 18 94 - 19 - 4511/3.0=3, ~3773=3...(9) HG3 LYS 42 - HB2 GLU 45 OK 18 94 - 19 - 4511/3.0=3, ~3773=3...(9) HD3 LYS 27 - HB3 GLU 45 OK 15 99 - 15 - 4511/3.0=3, 1656/4.6=3...(5) HD3 LYS 27 - HB2 GLU 45 OK 15 98 - 15 - 4511/3.0=3, 1656/4.6=3...(5) QB ALA 38 - HB3 GLU 20 OK 12 64 - 18 - 4409/1.8=4, 4394/4.1=4...(5) HG2 ARG 34 - HB3 GLU 20 poor 8 65 - 12 - 4339/1.8=2, ~3722=2...(5) HG2 LYS 58 - HB3 GLU 45 lone 6 87 - 6 - ~4514=1, ~4516=1 HG2 LYS 58 - HB2 GLU 45 lone 6 86 - 6 - ~4514=1, ~4516=1 HG2 LYS 42 - HB3 GLU 20 lone 2 57 - 3 - 3502/4.1=1 HG3 LYS 42 - HB3 GLU 20 lone 2 57 - 3 - 3502/4.1=1 HD3 LYS 27 - HB3 GLU 20 lone 2 62 - 3 - 4652/4644=1 HG2 LYS 58 - HB3 GLU 20 lone 1 50 - 1 - Peak 4514 from cnoeabs.peaks (1.47, 2.40, 37.98 ppm; 4.58 A): 2 out of 5 assignments used, quality = 0.84: QB ALA 35 + HG2 GLU 45 OK 79 92 - 87 - 2.1/4356=30, 4516/1.8=28...(13) HG LEU 43 + HG2 GLU 45 OK 21 100 - 21 - 4516/1.8=6, 3.0/4519=5...(5) HB3 LEU 29 - HG2 GLU 45 lone 6 97 - 6 - 4516/1.8=2, 4224/4519=2 HG3 LYS 58 - HG2 GLU 45 lone 6 89 - 6 - 4516/1.8=2, 1.8/4515=1 HG3 ARG 56 - HG2 GLU 45 lone 2 87 - 2 - Peak 4515 from cnoeabs.peaks (1.33, 2.40, 37.98 ppm; 3.68 A): 4 out of 6 assignments used, quality = 0.89: HG2 ARG 34 + HG2 GLU 45 OK 64 98 - 66 - 4517/1.8=16, ~4528=11...(15) QB ALA 38 + HG2 GLU 45 OK 63 96 - 66 - 4410=26, 4397/4.7=13...(12) HG3 LYS 42 + HG2 GLU 45 OK 11 78 - 13 - 4517/1.8=2, 3.9/4525=2...(6) HG2 LYS 42 + HG2 GLU 45 OK 11 78 - 13 - 4517/1.8=2, 3.9/4525=2...(6) HD3 LYS 27 - HG2 GLU 45 lone 10 100 - 9 - 4517/1.8=2, 4511/3.9=2 HG2 LYS 58 - HG2 GLU 45 lone 4 65 - 6 - 1.8/4514=1, ~4516=1 Peak 4516 from cnoeabs.peaks (1.47, 2.07, 37.98 ppm; 4.60 A): 2 out of 5 assignments used, quality = 0.83: QB ALA 35 + HG3 GLU 45 OK 79 92 - 86 - 2.1/4527=30, 4514/1.8=27...(15) HG LEU 43 + HG3 GLU 45 OK 18 100 - 18 - 4514/1.8=7, ~4519=4...(4) HB3 LEU 29 - HG3 GLU 45 lone 6 97 - 6 - 4514/1.8=2, 4224/4518=2 HG3 LYS 58 - HG3 GLU 45 lone 6 89 - 6 - 4514/1.8=2, 1.8/4517=1 HG3 ARG 56 - HG3 GLU 45 lone 2 87 - 2 - Peak 4517 from cnoeabs.peaks (1.33, 2.07, 37.98 ppm; 3.64 A): 5 out of 6 assignments used, quality = 0.90: HG2 ARG 34 + HG3 GLU 45 OK 67 98 - 69 - 3.0/4528=15, 4515/1.8=14...(16) QB ALA 38 + HG3 GLU 45 OK 56 96 - 59 - 4410/1.8=19, 4397/4.7=13...(11) HG3 LYS 42 + HG3 GLU 45 OK 10 78 - 13 - 4515/1.8=2, 3.9/4527=2...(6) HG2 LYS 42 + HG3 GLU 45 OK 10 78 - 13 - 4515/1.8=2, 3.9/4527=2...(6) HD3 LYS 27 + HG3 GLU 45 OK 10 100 - 10 - 4515/1.8=2, 4511/3.9=2 HG2 LYS 58 - HG3 GLU 45 lone 4 65 - 6 - 1.8/4516=1, ~4514=1 Peak 4518 from cnoeabs.peaks (1.58, 2.07, 37.98 ppm; 5.00 A): 3 out of 9 assignments used, quality = 0.87: HG3 ARG 34 + HG3 GLU 45 OK 82 99 - 84 - 3.0/4528=30, 3.0/4529=27...(12) HB3 LEU 43 + HG3 GLU 45 OK 18 71 - 25 - 4519/1.8=7, 3.0/4516=6...(7) HG3 ARG 61 + HG3 GLU 45 OK 10 89 - 11 - 4519/1.8=3, ~4519=3...(4) HG LEU 37 - HG3 GLU 45 poor 10 87 - 11 - 4520/3.9=3, ~4387=3, ~4388=3 HG2 ARG 61 - HG3 GLU 45 poor 10 87 - 11 - 4519/1.8=3, ~4519=3...(4) HG2 LYS 49 - HG3 GLU 45 lone 9 99 - 9 - 4520/3.9=5, 4519/1.8=2 HB3 LYS 27 - HG3 GLU 45 lone 6 87 - 7 - 3.8/4517=3, 4520/3.9=2 HG3 ARG 21 - HG3 GLU 45 lone 5 68 - 7 - 4519/1.8=2, 4520/3.9=1 QB ALA 31 - HG3 GLU 45 lone 4 83 - 5 - 4284/4351=2 Peak 4519 from cnoeabs.peaks (1.59, 2.40, 37.98 ppm; 4.93 A): 4 out of 9 assignments used, quality = 0.90: HG3 ARG 34 + HG2 GLU 45 OK 81 100 - 81 - ~4528=22, ~4529=20...(13) HB3 LEU 43 + HG2 GLU 45 OK 29 96 - 31 - 4.6/4507=7, 3.0/4514=7...(8) HG3 ARG 61 + HG2 GLU 45 OK 13 100 - 12 - 4518/1.8=2, ~4518=2...(5) HG2 ARG 61 + HG2 GLU 45 OK 12 100 - 12 - 4518/1.8=2, ~4518=2...(5) HG3 ARG 21 - HG2 GLU 45 lone 8 95 - 8 - 4520/3.9=1, 4.7/57=1, 4518/1.8=1 HG2 LYS 49 - HG2 GLU 45 lone 7 83 - 9 - 4520/3.9=5, 4518/1.8=2 HB2 LEU 41 - HG2 GLU 45 lone 4 68 - 6 - 4414/4410=2 HG LEU 68 - HG2 GLU 45 lone 2 73 - 3 - HB3 LEU 64 - HG2 GLU 45 lone 2 68 - 2 - Peak 4520 from cnoeabs.peaks (1.58, 3.64, 61.08 ppm; 4.95 A): 4 out of 9 assignments used, quality = 0.87: HG3 ARG 34 + HA GLU 45 OK 73 100 - 73 - 4812=18, 1.8/4511=18...(14) HG2 LYS 49 + HA GLU 45 OK 29 97 - 30 - 4.9/3775=23, 4571/3773=3...(5) HB3 LEU 43 + HA GLU 45 OK 18 81 - 23 - 4476/4512=6, 4519/3.9=5...(5) HG LEU 37 + HA GLU 45 OK 16 78 - 21 - 2.1/4512=10, ~4388=3...(6) HB3 LYS 27 - HA GLU 45 poor 9 78 - 11 - 3.8/4511=4, 1616/3.6=3 HG3 ARG 21 - HA GLU 45 poor 8 78 - 10 - 4.7/953=4, 4519/3.9=1 HG3 ARG 61 - HA GLU 45 lone 8 95 - 8 - 4519/3.9=2, 4518/3.9=2 HG2 ARG 61 - HA GLU 45 lone 8 93 - 8 - 4519/3.9=2, 4518/3.9=2 QB ALA 31 - HA GLU 45 lone 5 73 - 6 - 4284/3.6=3 Peak 4521 from cnoeabs.peaks (1.02, 2.05, 29.23 ppm; 4.93 A): 4 out of 9 assignments used, quality = 0.88: QG2 VAL 16 + HB3 GLU 20 OK 45 64 - 70 - 4124/3.0=22, 4123/3.0=18...(10) QG1 VAL 48 + HB3 GLU 45 OK 43 85 - 51 - ~4512=21, ~3773=20...(8) QG1 VAL 48 + HB2 GLU 45 OK 43 84 - 51 - ~4512=21, ~3773=20...(7) QG1 VAL 16 + HB3 GLU 20 OK 34 51 - 66 - 4059/3.0=21, 4120/4.0=16...(9) QG1 VAL 16 - HB3 GLU 45 lone 6 89 - 6 - 4051/3688=2 QG1 VAL 16 - HB2 GLU 45 lone 6 88 - 6 - 4051/3688=2 QG2 VAL 16 - HB3 GLU 45 lone 5 100 - 5 - QG2 VAL 16 - HB2 GLU 45 lone 5 100 - 5 - QG1 VAL 48 - HB3 GLU 20 lone 3 48 - 6 - 4124/3.0=2, 4123/3.0=1 Peak 4522 from cnoeabs.peaks (3.27, 2.04, 29.23 ppm; 4.86 A): 2 out of 12 assignments used, quality = 0.97: HD3 ARG 34 + HB2 GLU 45 OK 84 100 - 85 - 4529/3.0=23, ~4528=21...(17) HD3 ARG 34 + HB3 GLU 45 OK 84 100 - 84 - 4529/3.0=23, ~4528=21...(17) HD3 ARG 34 - HB3 GLU 20 poor 7 67 - 11 - 4336/1.8=3, ~4339=2...(4) HB3 TRP 51 - HB2 GLU 45 lone 7 83 - 8 - 3793/3.0=3, ~3791=3 HB3 TRP 51 - HB3 GLU 45 lone 7 82 - 8 - 3793/3.0=3, ~3791=3 HB2 PHE 52 - HB2 GLU 45 lone 6 100 - 5 - 4529/3.0=2, ~4528=1 HB2 PHE 52 - HB3 GLU 45 lone 6 100 - 5 - 4529/3.0=2, ~4528=1 HB3 TRP 51 - HB3 GLU 20 poor 5 49 - 11 - 5.3/4618=5, ~3811=4 HB3 HIS 13 - HB3 GLU 45 lone 4 100 - 4 - 4529/3.0=1 HB3 HIS 13 - HB2 GLU 45 lone 4 100 - 4 - 4529/3.0=1 HB2 PHE 52 - HB3 GLU 20 lone 2 67 - 2 - HB3 HIS 13 - HB3 GLU 20 lone 1 67 - 2 - Peak 4523 from cnoeabs.peaks (3.98, 2.04, 29.23 ppm; 4.80 A): 2 out of 18 assignments used, quality = 0.98: HA ALA 35 + HB2 GLU 45 OK 87 100 - 87 - 4527/3.0=28, 4356/3.0=28...(15) HA ALA 35 + HB3 GLU 45 OK 87 100 - 87 - 4527/3.0=28, 4356/3.0=28...(15) HA LYS 42 - HB3 GLU 45 OK 17 100 - 17 - 4525/3.0=4, 4527/3.0=4...(6) HA LYS 42 - HB2 GLU 45 OK 17 100 - 17 - 4525/3.0=4, 4527/3.0=4...(6) HA GLN 47 - HB2 GLU 45 OK 14 71 - 20 - ~1013=8, 4525/3.0=4...(4) HA GLN 47 - HB3 GLU 45 OK 14 70 - 20 - ~1013=8, 4525/3.0=4...(4) HB3 SER 24 - HB2 GLU 45 OK 13 96 - 13 - 4527/3.0=3, 4525/3.0=3...(4) HB3 SER 24 - HB3 GLU 45 OK 13 95 - 13 - 4527/3.0=3, 4525/3.0=3...(4) HB2 SER 24 - HB2 GLU 45 OK 12 93 - 13 - 4527/3.0=3, 4525/3.0=3...(4) HB2 SER 24 - HB3 GLU 45 OK 12 93 - 13 - 4527/3.0=3, 4525/3.0=3...(4) HA ALA 35 - HB3 GLU 20 lone 7 67 - 10 - 3746/4.0=3, ~981=2, 4356/3.0=1 HA LYS 42 - HB3 GLU 20 lone 6 67 - 8 - 3498/4.1=6 HA GLN 47 - HB3 GLU 20 lone 3 40 - 6 - ~4541=2 HB2 SER 30 - HB2 GLU 45 lone 1 65 - 2 - HB2 SER 30 - HB3 GLU 45 lone 1 65 - 2 - HB3 SER 24 - HB3 GLU 20 lone 1 60 - 2 - HB2 SER 24 - HB3 GLU 20 lone 1 58 - 2 - HB2 SER 30 - HB3 GLU 20 lone 1 37 - 2 - Peak 4524 from cnoeabs.peaks (4.79, 2.04, 29.23 ppm; 5.05 A): 2 out of 3 assignments used, quality = 0.87: HB THR 44 + HB2 GLU 45 OK 64 100 - 65 - 207/4.0=38, 4799/4.6=30 HB THR 44 + HB3 GLU 45 OK 64 100 - 65 - 207/4.0=38, 4799/4.6=30 HB THR 44 - HB3 GLU 20 lone 2 66 - 3 - Peak 4525 from cnoeabs.peaks (3.98, 2.40, 37.98 ppm; 3.98 A): 5 out of 5 assignments used, quality = 0.89: HA ALA 35 + HG2 GLU 45 OK 82 100 - 83 - 4356=34, 4527/1.8=27...(13) HA GLN 47 + HG2 GLU 45 OK 15 81 - 19 - 3.0/707=6, 3.6/224=4...(7) HA LYS 42 + HG2 GLU 45 OK 13 100 - 13 - 4527/1.8=4, 3748/4410=3...(6) HB3 SER 24 + HG2 GLU 45 OK 10 99 - 10 - 4527/1.8=3, ~4527=2, 4.0/3519=1 HB2 SER 24 + HG2 GLU 45 OK 10 97 - 10 - 4527/1.8=3, ~4527=2, 4.0/3519=1 Peak 4526 from cnoeabs.peaks (4.67, 2.40, 37.98 ppm; 5.20 A): 1 out of 3 assignments used, quality = 0.54: HA THR 44 + HG2 GLU 45 OK 54 92 - 59 - 3.6/2297=41, ~4524=10...(5) HA MET 11 - HG2 GLU 45 lone 7 98 - 7 - 3.6/4737=2, 206/4.7=1 HA HIS 10 - HG2 GLU 45 lone 2 85 - 2 - Peak 4527 from cnoeabs.peaks (3.98, 2.07, 37.98 ppm; 3.74 A): 2 out of 5 assignments used, quality = 0.79: HA ALA 35 + HG3 GLU 45 OK 76 100 - 77 - 4356/1.8=24, 4355=18...(15) HA LYS 42 + HG3 GLU 45 OK 11 100 - 11 - 4525/1.8=3, 3.9/4517=2...(6) HB3 SER 24 - HG3 GLU 45 lone 9 99 - 9 - 4525/1.8=3, ~4525=2 HB2 SER 24 - HG3 GLU 45 lone 9 97 - 9 - 4525/1.8=3, ~4525=2 HA GLN 47 - HG3 GLU 45 poor 8 81 - 10 - 4525/1.8=4, ~707=4 Peak 4528 from cnoeabs.peaks (3.54, 2.07, 37.98 ppm; 5.13 A): 1 out of 2 assignments used, quality = 0.83: HD2 ARG 34 + HG3 GLU 45 OK 83 99 - 84 - 1.8/4529=34, 3.0/4517=19...(12) HB3 PHE 52 - HG3 GLU 45 lone 6 99 - 5 - 1.8/4529=3 Peak 4529 from cnoeabs.peaks (3.26, 2.07, 37.98 ppm; 5.12 A): 1 out of 4 assignments used, quality = 0.80: HD3 ARG 34 + HG3 GLU 45 OK 80 97 - 83 - 1.8/4528=38, 3.0/4517=19...(11) HB2 PHE 52 - HG3 GLU 45 lone 6 90 - 6 - 1.8/4528=3 HB3 HIS 13 - HG3 GLU 45 lone 5 93 - 5 - 3.0/3662=2 HD3 ARG 21 - HG3 GLU 45 lone 3 73 - 4 - ~4519=1, 2.9/4518=1 Peak 4532 from cnoeabs.peaks (1.68, 3.90, 66.50 ppm; 4.24 A): 7 out of 13 assignments used, quality = 0.95: HD3 LYS 49 + HA THR 46 OK 60 87 - 69 - 3.7/3778=26, 3.7/3781=20...(10) HD2 LYS 49 + HA THR 46 OK 58 85 - 69 - 3.7/3778=26, 3.7/3781=20...(10) HG13 ILE 50 + HA THR 46 OK 46 99 - 47 - ~4538=19, 4.9/3782=19...(8) HD3 LYS 39 + HA THR 46 OK 14 97 - 15 - 4537/3.2=2, 3.0/4533=2...(5) HD2 LYS 39 + HA THR 46 OK 14 97 - 15 - 4537/3.2=2, 3.0/4533=2...(5) HD3 LYS 42 + HA THR 46 OK 13 73 - 18 - 3.0/4535=5, 3.0/4535=5...(4) HG3 LYS 22 + HA THR 46 OK 12 99 - 12 - 1444/3.6=2, ~213=2...(5) HB2 LEU 37 - HA THR 46 poor 9 83 - 11 - 1944/3.6=4, ~700=1...(5) HD2 LYS 60 - HA THR 46 lone 6 96 - 6 - 4537/3.2=1 HD3 LYS 60 - HA THR 46 lone 5 93 - 6 - 4537/3.2=1 HD2 LYS 62 - HA THR 46 lone 5 93 - 5 - HD3 LYS 62 - HA THR 46 lone 5 92 - 5 - HB2 LEU 64 - HA THR 46 lone 1 76 - 2 - Peak 4533 from cnoeabs.peaks (2.97, 3.90, 66.50 ppm; 4.90 A): 4 out of 10 assignments used, quality = 0.94: HE2 LYS 49 + HA THR 46 OK 70 97 - 73 - 4.8/3778=26, 4.8/3781=20...(10) HE3 LYS 49 + HA THR 46 OK 70 97 - 73 - 4.8/3778=26, 4.8/3781=20...(10) HE3 LYS 39 + HA THR 46 OK 15 96 - 16 - 4536/3.2=3, 3.0/4532=2...(5) HE2 LYS 39 + HA THR 46 OK 15 96 - 16 - 4536/3.2=3, 3.0/4532=2...(5) HE2 LYS 60 - HA THR 46 lone 7 95 - 8 - 4536/3.2=2, ~4536=1 HE3 LYS 60 - HA THR 46 lone 7 93 - 8 - 4536/3.2=2, ~4536=1 HE2 LYS 62 - HA THR 46 lone 7 93 - 7 - 4536/3.2=2, ~4536=1 HE3 LYS 62 - HA THR 46 lone 7 89 - 7 - 4536/3.2=1, ~4536=1 HE3 LYS 22 - HA THR 46 lone 4 85 - 4 - 3.7/4532=2 HB2 TYR 28 - HA THR 46 lone 3 76 - 3 - ~4663=1 Peak 4534 from cnoeabs.peaks (1.58, 3.90, 66.50 ppm; 4.92 A): 3 out of 9 assignments used, quality = 0.94: HG2 LYS 49 + HA THR 46 OK 87 99 - 88 - 3.0/3778=37, 3.0/3781=28...(11) HG3 ARG 34 + HA THR 46 OK 35 98 - 36 - 1.8/4535=13, ~3462=7...(8) HG3 ARG 61 + HA THR 46 OK 29 87 - 33 - 3.0/4687=15, 3.0/4687=15...(4) HG2 ARG 61 - HA THR 46 OK 28 85 - 33 - 3.0/4687=15, 3.0/4687=15...(4) HB3 LYS 27 - HA THR 46 OK 21 89 - 24 - 3.8/1647=7, 3.8/1657=6...(6) QB ALA 31 - HA THR 46 OK 14 85 - 17 - 4284/2.9=4, ~3725=3...(5) HG LEU 37 - HA THR 46 OK 13 89 - 15 - 1958/3.6=5, 1959/3.0=2...(5) HG3 ARG 21 - HA THR 46 lone 4 65 - 7 - 1.8/3780=1, ~3644=1 HB3 LEU 43 - HA THR 46 lone 4 68 - 5 - 1.8/2312=2, ~701=1 Peak 4535 from cnoeabs.peaks (1.36, 3.90, 66.50 ppm; 4.88 A): 4 out of 6 assignments used, quality = 0.49: HG2 ARG 34 + HA THR 46 OK 22 78 - 29 - 3462/2.9=6, 1.8/4534=6...(8) HG2 LYS 42 + HA THR 46 OK 14 98 - 14 - 2.9/3780=5, 2.9/3778=5 HG3 LYS 42 + HA THR 46 OK 14 98 - 14 - 2.9/3780=5, 2.9/3778=5 QB ALA 38 + HA THR 46 OK 12 85 - 14 - 4395/3.6=6, 4568/1016=2...(4) HG13 ILE 17 - HA THR 46 lone 4 96 - 4 - ~4538=1 HG2 LYS 58 - HA THR 46 lone 2 100 - 2 - Peak 4536 from cnoeabs.peaks (2.96, 1.25, 21.98 ppm; 4.45 A): 4 out of 10 assignments used, quality = 0.77: HE2 LYS 49 + QG2 THR 46 OK 45 93 - 48 - 4.8/4584=12, 4533/3.2=9...(8) HE3 LYS 49 + QG2 THR 46 OK 45 93 - 48 - 4.8/4584=12, 4533/3.2=9...(8) HE3 LYS 39 + QG2 THR 46 OK 13 90 - 14 - 3.0/4537=3, 3.0/4537=3...(4) HE2 LYS 39 + QG2 THR 46 OK 13 90 - 14 - 3.0/4537=3, 3.0/4537=3...(4) HE2 LYS 60 - QG2 THR 46 lone 7 89 - 8 - 3.0/4537=1, 3.0/4537=1 HE3 LYS 60 - QG2 THR 46 lone 7 87 - 8 - 3.0/4537=1, 3.0/4537=1 HE2 LYS 62 - QG2 THR 46 lone 6 87 - 7 - 3.0/4537=1, 3.0/4537=1 HE3 LYS 62 - QG2 THR 46 lone 6 81 - 7 - 3.0/4537=1, 3.0/4537=1 HE3 LYS 22 - QG2 THR 46 lone 4 92 - 4 - 4604/4538=1 HB2 TYR 28 - QG2 THR 46 lone 1 85 - 2 - Peak 4537 from cnoeabs.peaks (1.68, 1.25, 21.98 ppm; 3.58 A): 3 out of 13 assignments used, quality = 0.72: HG13 ILE 50 + QG2 THR 46 OK 40 99 - 41 - 2.1/4538=35, 4532/3.2=4...(4) HD3 LYS 49 + QG2 THR 46 OK 31 87 - 37 - 3.7/4584=10, 3.7/4585=7...(8) HD2 LYS 49 + QG2 THR 46 OK 31 85 - 36 - 3.7/4584=10, 3.7/4585=7...(8) HD2 LYS 39 - QG2 THR 46 lone 10 97 - 10 - 3.0/4536=2, 3.0/4536=2 HD3 LYS 39 - QG2 THR 46 lone 10 97 - 10 - 3.0/4536=2, 3.0/4536=2 HB2 LEU 37 - QG2 THR 46 lone 5 83 - 6 - 1944/4.3=2 HD2 LYS 60 - QG2 THR 46 lone 4 96 - 5 - HD3 LYS 60 - QG2 THR 46 lone 4 93 - 5 - HD2 LYS 62 - QG2 THR 46 lone 4 93 - 4 - HD3 LYS 62 - QG2 THR 46 lone 4 92 - 4 - HG3 LYS 22 - QG2 THR 46 lone 3 99 - 3 - 1444/4.3=1, 4532/3.2=1 HD3 LYS 42 - QG2 THR 46 lone 3 73 - 4 - ~4535=2, 4532/3.2=1 HB2 LEU 64 - QG2 THR 46 lone 1 76 - 1 - Peak 4538 from cnoeabs.peaks (0.79, 1.25, 21.98 ppm; 3.27 A): 0 out of 2 assignments used, low quality = 0.19: QD1 ILE 50 - QG2 THR 46 OK 19 97 - 20 - 2.1/4537=8, 4598/4.3=3...(6) QG2 ILE 17 - QG2 THR 46 lone 1 83 - 2 - Peak 4542 from cnoeabs.peaks (1.25, 3.96, 59.66 ppm; 4.22 A): 4 out of 5 assignments used, quality = 0.82: QG2 THR 46 + HA GLN 47 OK 58 100 - 58 - 218/3.0=20, ~3522=14...(8) HB2 LEU 43 + HA GLN 47 OK 47 65 - 71 - 4487/3.0=14, ~4546=12...(14) HB2 LEU 29 + HA GLN 47 OK 12 97 - 12 - 4553/3.0=3, 218/3.0=3...(6) HG LEU 19 + HA GLN 47 OK 11 96 - 11 - 4553/3.0=3, 218/3.0=3...(4) HD2 LYS 27 - HA GLN 47 poor 9 78 - 11 - 218/3.0=2, 4553/3.0=2...(6) Peak 4543 from cnoeabs.peaks (0.91, 3.96, 59.66 ppm; 4.28 A): 2 out of 3 assignments used, quality = 0.86: QG2 ILE 50 + HA GLN 47 OK 76 99 - 77 - 3.2/4544=27, 2.1/3785=26...(10) QD2 LEU 37 + HA GLN 47 OK 42 96 - 43 - ~4552=8, ~4539=7...(14) QD1 LEU 64 - HA GLN 47 lone 8 100 - 8 - ~4548=2, ~4550=2 Peak 4544 from cnoeabs.peaks (0.80, 3.96, 59.66 ppm; 4.19 A): 1 out of 2 assignments used, quality = 0.71: QD1 ILE 50 + HA GLN 47 OK 71 100 - 71 - 4603=24, 3.2/3785=21...(9) QG2 ILE 17 - HA GLN 47 lone 8 98 - 7 - 4073/3.8=2, 731/3784=1 Peak 4545 from cnoeabs.peaks (1.93, 2.58, 29.96 ppm; 4.71 A): 5 out of 6 assignments used, quality = 0.82: HB ILE 50 + HB2 GLN 47 OK 66 100 - 67 - 3785/3.0=25, ~4544=16...(9) HB2 ARG 34 + HB2 GLN 47 OK 17 100 - 17 - 4324/4487=4, 3785/3.0=3...(6) HB3 LYS 39 + HB2 GLN 47 OK 17 98 - 17 - 3785/3.0=5, 3.9/3525=3...(6) HB2 LYS 39 + HB2 GLN 47 OK 16 97 - 16 - 3785/3.0=5, ~3785=3...(6) HD3 LYS 22 + HB2 GLN 47 OK 10 65 - 15 - 3785/3.0=3, 4560/4.6=3...(7) HB3 GLU 67 - HB2 GLN 47 lone 2 68 - 3 - Peak 4546 from cnoeabs.peaks (1.59, 2.58, 29.96 ppm; 4.39 A): 3 out of 9 assignments used, quality = 0.95: HB3 LEU 43 + HB2 GLN 47 OK 93 99 - 94 - 1.8/4487=36, 4.6/4563=23...(20) HG LEU 68 + HB2 GLN 47 OK 23 83 - 28 - 2.1/4548=7, 2.1/4548=7...(6) HB3 LEU 64 + HB2 GLN 47 OK 10 78 - 13 - 3.1/4548=3, ~4550=2...(6) HB2 LEU 41 - HB2 GLN 47 poor 9 78 - 12 - 4.0/2329=4, 2100/4.0=2...(5) HG3 ARG 34 - HB2 GLN 47 lone 7 98 - 8 - 3.0/4545=4, ~3785=1 HG3 ARG 21 - HB2 GLN 47 lone 4 98 - 4 - HG2 ARG 61 - HB2 GLN 47 lone 3 100 - 3 - HG3 ARG 61 - HB2 GLN 47 lone 3 100 - 3 - HG2 LYS 49 - HB2 GLN 47 lone 2 73 - 3 - Peak 4547 from cnoeabs.peaks (1.24, 2.58, 29.96 ppm; 4.69 A): 2 out of 5 assignments used, quality = 0.95: HB2 LEU 43 + HB2 GLN 47 OK 89 93 - 96 - 4487=45, 4.6/4563=26...(19) QG2 THR 46 + HB2 GLN 47 OK 55 97 - 57 - 4.3/704=36, 4542/3.0=14...(6) HG LEU 19 - HB2 GLN 47 OK 20 100 - 20 - 4109/4549=6, 4553/1.8=4...(6) HD2 LYS 27 - HB2 GLN 47 OK 16 98 - 16 - 2.9/4549=4, 4553/1.8=3...(6) HB2 LEU 29 - HB2 GLN 47 OK 16 100 - 15 - 4553/1.8=3, 4542/3.0=3...(5) Peak 4548 from cnoeabs.peaks (0.85, 2.58, 29.96 ppm; 4.61 A): 2 out of 4 assignments used, quality = 0.97: QD2 LEU 43 + HB2 GLN 47 OK 95 99 - 96 - 3.1/4487=31, 4.7/4563=24...(20) QD2 LEU 68 + HB2 GLN 47 OK 39 97 - 40 - 4550/1.8=8, 2.1/4546=6...(10) QD1 LEU 68 - HB2 GLN 47 OK 37 95 - 39 - 4550/1.8=8, 2.1/4546=6...(10) QD2 LEU 64 - HB2 GLN 47 OK 20 100 - 20 - 4550/1.8=4, 4834/3.0=3...(7) Peak 4549 from cnoeabs.peaks (0.64, 2.58, 29.96 ppm; 5.28 A): 3 out of 3 assignments used, quality = 0.91: QD1 LEU 43 + HB2 GLN 47 OK 87 90 - 97 - 3.1/4487=39, 4.7/4563=31...(19) HG2 LYS 27 + HB2 GLN 47 OK 15 99 - 14 - 2.9/4547=3, 4551/1.8=3...(5) HB2 ARG 55 + HB2 GLN 47 OK 14 97 - 15 - ~3839=4, 4551/1.8=3...(4) Peak 4550 from cnoeabs.peaks (0.85, 1.83, 29.96 ppm; 4.15 A): 2 out of 4 assignments used, quality = 0.95: QD2 LEU 43 + HB3 GLN 47 OK 93 100 - 93 - 2.1/4551=26, 4845=21...(20) QD2 LEU 68 + HB3 GLN 47 OK 31 100 - 32 - 4548/1.8=6, 4558/4.6=5...(10) QD1 LEU 68 - HB3 GLN 47 OK 31 99 - 31 - 4548/1.8=6, ~4548=5...(10) QD2 LEU 64 - HB3 GLN 47 OK 16 100 - 15 - 4548/1.8=4, 4558/4.6=2...(7) Peak 4551 from cnoeabs.peaks (0.66, 1.83, 29.96 ppm; 4.57 A): 2 out of 3 assignments used, quality = 0.93: QD1 LEU 43 + HB3 GLN 47 OK 92 100 - 92 - 4.7/4564=25, 2.1/4550=23...(21) HB2 ARG 55 + HB3 GLN 47 OK 10 100 - 10 - 4549/1.8=3, 3.0/3839=3, ~4759=2 HG2 LYS 27 - HB3 GLN 47 poor 9 76 - 12 - 4549/1.8=3, 2.9/4553=3...(5) Peak 4552 from cnoeabs.peaks (0.95, 1.83, 29.96 ppm; 4.99 A): 2 out of 2 assignments used, quality = 0.78: QG2 VAL 48 + HB3 GLN 47 OK 58 100 - 58 - 714/4.7=28, 4539/4.0=16...(9) QD1 LEU 37 + HB3 GLN 47 OK 48 96 - 50 - 4539/4.0=12, 4815=10...(10) Peak 4553 from cnoeabs.peaks (1.25, 1.83, 29.96 ppm; 4.47 A): 5 out of 5 assignments used, quality = 0.87: HB2 LEU 43 + HB3 GLN 47 OK 60 65 - 91 - 3.1/4551=25, 4.6/4564=25...(18) QG2 THR 46 + HB3 GLN 47 OK 47 100 - 47 - 4.3/705=22, 4542/3.0=14...(6) HG LEU 19 + HB3 GLN 47 OK 18 96 - 19 - 4109/4551=7, 4547/1.8=3...(6) HB2 LEU 29 + HB3 GLN 47 OK 14 97 - 14 - 4542/3.0=3, 4547/1.8=3...(5) HD2 LYS 27 + HB3 GLN 47 OK 12 78 - 15 - 4547/1.8=3, 2.9/4551=3...(6) Peak 4554 from cnoeabs.peaks (1.27, 2.55, 35.63 ppm; 4.51 A): 3 out of 4 assignments used, quality = 0.74: QG2 THR 44 + HG2 GLN 47 OK 45 99 - 46 - 4.0/4565=24, 4509=17 QG2 THR 46 + HG2 GLN 47 OK 33 73 - 45 - 4.3/706=34, 4542/3.8=7...(5) HG12 ILE 50 + HG2 GLN 47 OK 28 93 - 31 - ~4545=8, ~4599=6...(7) QG2 THR 59 - HG2 GLN 47 lone 7 85 - 8 - 4509=3, 691/4565=2, 4509/3.0=2 Peak 4555 from cnoeabs.peaks (1.60, 2.40, 35.63 ppm; 4.57 A): 2 out of 20 assignments used, quality = 0.95: HB3 LEU 43 + HG3 GLN 47 OK 93 100 - 93 - ~4487=22, 4.6/4566=21...(21) HB2 LEU 41 + HG3 GLU 18 OK 32 52 - 62 - 3.1/4449=22, ~4450=13...(10) HG LEU 68 - HG3 GLN 47 OK 30 97 - 31 - 2.1/4561=7, ~4834=5...(7) HB3 LEU 68 - HG3 GLN 47 OK 17 65 - 26 - 3.1/4561=6, ~4834=4...(8) HB3 LEU 64 - HG3 GLN 47 OK 15 95 - 16 - 3.1/4561=3, ~4834=2...(7) HB2 LEU 41 - HG3 GLN 47 OK 12 95 - 13 - 4.0/2353=3, 3.1/4449=3...(5) HB3 GLN 15 - HG3 GLU 18 OK 10 29 - 37 - ~4096=10, ~1148=5...(9) HG3 ARG 21 - HG3 GLN 47 lone 8 100 - 8 - ~4560=2, ~4557=1 HG3 ARG 34 - HG3 GLN 47 lone 8 87 - 9 - ~4545=2, 4546/3.0=2...(4) HG3 ARG 21 - HG3 GLU 18 poor 8 60 - 13 - 4.7/57=5, ~1375=2...(4) HB3 LEU 43 - HG3 GLU 18 poor 7 60 - 12 - ~4090=4, ~4094=2...(5) HG2 ARG 61 - HG3 GLN 47 lone 5 99 - 5 - HG3 ARG 61 - HG3 GLN 47 lone 5 98 - 5 - HB3 GLN 15 - HG3 GLN 47 lone 2 60 - 3 - HG2 ARG 61 - HG3 GLU 18 lone 1 57 - 2 - HG3 ARG 61 - HG3 GLU 18 lone 1 56 - 2 - HG3 ARG 34 - HG3 GLU 18 lone 1 46 - 3 - HB3 LEU 64 - HG3 GLU 18 lone 1 52 - 2 - HG LEU 68 - HG3 GLU 18 lone 1 54 - 2 - HB3 LEU 68 - HG3 GLU 18 lone 1 32 - 2 - Peak 4556 from cnoeabs.peaks (1.24, 2.40, 35.63 ppm; 4.38 A): 6 out of 10 assignments used, quality = 0.93: HB2 LEU 43 + HG3 GLN 47 OK 78 87 - 90 - 4487/3.0=23, 4.6/4566=19...(21) QG2 THR 46 + HG3 GLN 47 OK 43 99 - 44 - 4.3/707=15, 4542/3.8=11...(7) HG LEU 19 + HG3 GLU 18 OK 17 59 - 28 - 5.2/44=7, 4772/3.0=7...(6) HG LEU 19 + HG3 GLN 47 OK 14 100 - 14 - 4553/3.0=3, 4547/3.0=3...(6) HB2 LEU 29 + HG3 GLN 47 OK 13 100 - 12 - 4553/3.0=3, 4547/3.0=2...(5) HD2 LYS 27 + HG3 GLN 47 OK 12 95 - 12 - 4547/3.0=2, 4553/3.0=2...(6) HB2 LEU 29 - HG3 GLU 18 poor 6 60 - 10 - ~4091=2, 3.0/4093=2...(4) HB2 LEU 43 - HG3 GLU 18 lone 3 46 - 7 - 4.6/4566=1, 3.1/4492=1 QG2 THR 46 - HG3 GLU 18 lone 2 57 - 4 - 4.3/707=1 HD2 LYS 27 - HG3 GLU 18 lone 1 52 - 2 - Peak 4561 from cnoeabs.peaks (0.83, 2.40, 35.63 ppm; 4.45 A): 4 out of 8 assignments used, quality = 0.84: QD2 LEU 43 + HG3 GLN 47 OK 68 76 - 90 - 4.7/4566=19, 4496/3.4=18...(19) QD2 LEU 68 + HG3 GLN 47 OK 28 65 - 43 - 4834/1.8=6, 4558/3.4=5...(13) QG2 ILE 17 + HG3 GLU 18 OK 18 35 - 53 - 4076/3.9=16, 4.3/531=13...(10) QD2 LEU 64 + HG3 GLN 47 OK 14 89 - 15 - 4834/1.8=3, 4548/3.0=3...(7) QG2 ILE 17 - HG3 GLN 47 poor 9 71 - 12 - 4073=3, 2.1/4069=3...(4) QD2 LEU 43 - HG3 GLU 18 lone 4 38 - 10 - ~4090=3, ~4094=1, 4.7/4566=1 QD2 LEU 64 - HG3 GLU 18 lone 1 47 - 2 - QD2 LEU 68 - HG3 GLU 18 lone 1 32 - 2 - Peak 4563 from cnoeabs.peaks (8.83, 2.58, 29.96 ppm; 4.36 A): 1 out of 1 assignment used, quality = 0.90: H THR 44 + HB2 GLN 47 OK 90 98 - 92 - 4564/1.8=37, 4565/3.0=27...(11) Peak 4564 from cnoeabs.peaks (8.84, 1.83, 29.96 ppm; 4.12 A): 1 out of 1 assignment used, quality = 0.87: H THR 44 + HB3 GLN 47 OK 87 100 - 87 - 4563/1.8=31, 4506=26...(12) Peak 4565 from cnoeabs.peaks (8.83, 2.55, 35.63 ppm; 4.80 A): 1 out of 1 assignment used, quality = 0.86: H THR 44 + HG2 GLN 47 OK 86 98 - 88 - 4563/3.0=36, 4564/3.0=34...(9) Peak 4566 from cnoeabs.peaks (8.84, 2.40, 35.63 ppm; 4.78 A): 1 out of 2 assignments used, quality = 0.90: H THR 44 + HG3 GLN 47 OK 90 100 - 90 - 4564/3.0=38, 4565/1.8=35...(11) H THR 44 - HG3 GLU 18 lone 5 59 - 9 - 4507=3 Peak 4567 from cnoeabs.peaks (7.52, 1.00, 23.57 ppm; 3.87 A): 3 out of 10 assignments used, quality = 0.79: QE PHE 52 + QG1 VAL 48 OK 64 96 - 67 - 4731=32, 2.2/4792=26...(8) H GLN 15 + QG2 VAL 16 OK 28 47 - 60 - 867/4.0=24, 4018/2.1=14...(8) QE PHE 52 + QG2 VAL 16 OK 18 45 - 39 - 4731=16, 2.2/4704=11...(7) H GLN 15 - QG1 VAL 48 lone 7 97 - 7 - 3.0/4853=2 H TYR 28 - QG1 VAL 48 lone 2 93 - 2 - 4.1/4573=1 HE21 GLN 63 - QG1 VAL 48 lone 2 92 - 2 - HE21 GLN 63 - QG2 VAL 16 lone 2 42 - 3 - HE22 GLN 53 - QG2 VAL 16 lone 1 42 - 3 - H TYR 28 - QG2 VAL 16 lone 1 43 - 2 - HE22 GLN 53 - QG1 VAL 48 lone 1 92 - 1 - Peak 4569 from cnoeabs.peaks (1.96, 3.63, 67.46 ppm; 5.00 A): 3 out of 8 assignments used, quality = 0.94: HB2 ARG 34 + HA VAL 48 OK 72 89 - 81 - ~4329=15, ~4331=12...(20) HD3 LYS 22 + HA VAL 48 OK 68 100 - 69 - 3.5/3701=11, 3.5/3703=11...(20) HB ILE 50 + HA VAL 48 OK 31 85 - 37 - 4.4/3789=25, 4612/3790=3...(6) HD3 ARG 55 - HA VAL 48 OK 28 90 - 31 - 4837/3794=7, 3.0/4580=6...(10) HB2 ARG 21 - HA VAL 48 OK 21 97 - 22 - 4.5/960=7, 4.0/953=4...(6) HB3 ARG 21 - HA VAL 48 OK 20 93 - 21 - 4.5/960=7, 4.0/953=4...(6) HB3 GLU 67 - HA VAL 48 lone 5 100 - 5 - HG2 PRO 32 - HA VAL 48 lone 4 68 - 6 - ~1016=2 Peak 4570 from cnoeabs.peaks (1.33, 2.16, 32.06 ppm; 4.12 A): 2 out of 6 assignments used, quality = 0.94: HG2 ARG 34 + HB VAL 48 OK 86 98 - 88 - 3.0/4336=22, 4576/2.1=20...(19) QB ALA 38 + HB VAL 48 OK 59 96 - 62 - 4409=18, 4576/2.1=16...(11) HD3 LYS 27 - HB VAL 48 OK 19 100 - 19 - 4574/2.1=4, 4576/2.1=4...(8) HG3 LYS 42 - HB VAL 48 OK 13 78 - 16 - 2.9/4572=4, 4576/2.1=2...(7) HG2 LYS 42 - HB VAL 48 OK 13 78 - 16 - 2.9/4572=4, 4576/2.1=2...(7) HG2 LYS 58 - HB VAL 48 lone 4 65 - 6 - ~4871=1, 4568/3.8=1 Peak 4571 from cnoeabs.peaks (1.58, 2.16, 32.06 ppm; 4.31 A): 3 out of 9 assignments used, quality = 0.96: HG3 ARG 34 + HB VAL 48 OK 87 98 - 89 - 4329/2.1=28, 3.0/4336=24...(18) HB3 LEU 43 + HB VAL 48 OK 46 68 - 68 - ~4472=19, ~4577=15...(10) HG2 LYS 49 + HB VAL 48 OK 45 99 - 45 - 4.9/3530=23, 3.0/4572=15...(5) HG LEU 37 - HB VAL 48 OK 18 89 - 20 - 4573/2.1=5, ~2365=5...(5) HB3 LYS 27 - HB VAL 48 OK 10 89 - 11 - 3.8/4570=3, 4573/2.1=2...(5) HG3 ARG 21 - HB VAL 48 lone 3 65 - 5 - 4.7/54=1, ~4569=1 QB ALA 31 - HB VAL 48 lone 3 85 - 4 - 4573/2.1=1 HG3 ARG 61 - HB VAL 48 lone 3 87 - 3 - HG2 ARG 61 - HB VAL 48 lone 3 85 - 3 - Peak 4572 from cnoeabs.peaks (1.91, 2.16, 32.06 ppm; 4.88 A): 2 out of 5 assignments used, quality = 0.55: HB3 LYS 49 + HB VAL 48 OK 47 71 - 66 - 4.0/3530=36, ~4583=21...(8) HB2 LYS 42 + HB VAL 48 OK 15 90 - 16 - 2.9/4570=3, 2.9/4570=3...(7) HB2 LYS 39 - HB VAL 48 poor 10 90 - 11 - 3.9/2366=7, 1995/3.8=2 HB3 LYS 39 - HB VAL 48 poor 9 87 - 11 - 3.9/2366=7, 1995/3.8=2 HB2 GLU 33 - HB VAL 48 lone 2 76 - 3 - Peak 4573 from cnoeabs.peaks (1.56, 1.00, 23.57 ppm; 3.65 A): 3 out of 16 assignments used, quality = 0.81: HG3 ARG 34 + QG1 VAL 48 OK 63 78 - 81 - 4329=18, 1.8/4574=14...(19) HG2 LYS 49 + QG1 VAL 48 OK 38 99 - 39 - 3.9/4583=15, 4.9/230=14...(5) HG LEU 37 + QG1 VAL 48 OK 18 100 - 18 - 4381/4825=5, ~2365=3...(7) HB3 LYS 27 - QG1 VAL 48 lone 9 100 - 8 - 3.8/4574=2, 719/4.1=1...(5) QB ALA 31 - QG1 VAL 48 lone 5 99 - 5 - 4274/4853=1 HG3 LYS 39 - QG1 VAL 48 lone 4 85 - 5 - 2025/4.0=2, ~4572=1 HG LEU 37 - QG2 VAL 16 lone 4 50 - 7 - 4381/4825=5 HG3 ARG 34 - QG2 VAL 16 lone 2 33 - 6 - 4329=1 HD2 LYS 58 - QG1 VAL 48 lone 2 73 - 2 - HD3 LYS 58 - QG1 VAL 48 lone 2 73 - 2 - HG2 LYS 49 - QG2 VAL 16 lone 1 49 - 3 - QB ALA 31 - QG2 VAL 16 lone 1 49 - 2 - HB3 LYS 27 - QG2 VAL 16 lone 1 50 - 2 - HG3 LYS 39 - QG2 VAL 16 lone 1 37 - 1 - HD2 LYS 58 - QG2 VAL 16 lone 0 31 - 1 - HD3 LYS 58 - QG2 VAL 16 lone 0 31 - 1 - Peak 4574 from cnoeabs.peaks (1.33, 1.00, 23.57 ppm; 4.19 A): 3 out of 10 assignments used, quality = 0.93: HG2 ARG 34 + QG1 VAL 48 OK 84 93 - 90 - 1.8/4329=28, 4576/2.1=20...(18) QB ALA 38 + QG1 VAL 48 OK 46 89 - 52 - 4576/2.1=16, 4409/2.1=13...(10) HD3 LYS 27 + QG1 VAL 48 OK 19 99 - 19 - 4576/2.1=4, 4570/2.1=4...(7) HG2 LYS 42 - QG1 VAL 48 poor 9 65 - 14 - ~4572=3, 4576/2.1=2...(7) HG3 LYS 42 - QG1 VAL 48 poor 9 65 - 14 - ~4572=3, 4576/2.1=2...(7) HG2 ARG 34 - QG2 VAL 16 lone 3 43 - 8 - 1.8/4329=2, 4332/4581=1 QB ALA 38 - QG2 VAL 16 lone 1 40 - 3 - HD3 LYS 27 - QG2 VAL 16 lone 1 49 - 2 - HG3 LYS 42 - QG2 VAL 16 lone 0 27 - 1 - HG2 LYS 42 - QG2 VAL 16 lone 0 27 - 1 - Peak 4575 from cnoeabs.peaks (1.58, 0.95, 23.79 ppm; 3.86 A): 3 out of 9 assignments used, quality = 0.96: HG3 ARG 34 + QG2 VAL 48 OK 84 100 - 84 - 4329/2.1=24, 1.8/4576=20...(20) HB3 LEU 43 + QG2 VAL 48 OK 63 81 - 78 - 1.8/4472=24, 4476=22...(14) HG2 LYS 49 + QG2 VAL 48 OK 31 97 - 32 - 4.9/231=13, ~4572=8...(5) HG LEU 37 - QG2 VAL 48 OK 22 78 - 29 - 4.3/1943=5, 5.0/644=4...(10) HB3 LYS 27 - QG2 VAL 48 poor 9 78 - 12 - 3.8/4576=2, 3.8/4577=2...(6) HG3 ARG 21 - QG2 VAL 48 lone 4 78 - 5 - QB ALA 31 - QG2 VAL 48 lone 3 73 - 4 - HG3 ARG 61 - QG2 VAL 48 lone 3 95 - 3 - HG2 ARG 61 - QG2 VAL 48 lone 3 93 - 3 - Peak 4576 from cnoeabs.peaks (1.33, 0.95, 23.79 ppm; 3.19 A): 3 out of 6 assignments used, quality = 0.85: HG2 ARG 34 + QG2 VAL 48 OK 64 98 - 65 - ~4329=11, 4331/2.1=10...(20) QB ALA 38 + QG2 VAL 48 OK 52 96 - 54 - 4405=16, 2.1/4403=10...(13) HD3 LYS 27 + QG2 VAL 48 OK 12 100 - 12 - 1.8/4577=3, 4574/2.1=2...(4) HG3 LYS 42 - QG2 VAL 48 lone 8 78 - 10 - ~4572=2, 4570/2.1=1, 4574/2.1=1 HG2 LYS 42 - QG2 VAL 48 lone 8 78 - 10 - ~4572=2, 4570/2.1=1, 4574/2.1=1 HG2 LYS 58 - QG2 VAL 48 lone 3 65 - 4 - 1.8/4871=1 Peak 4577 from cnoeabs.peaks (1.22, 0.95, 23.79 ppm; 3.60 A): 4 out of 5 assignments used, quality = 0.88: HB2 LEU 43 + QG2 VAL 48 OK 74 98 - 76 - 4472=26, 1.8/4476=21...(16) HG LEU 19 + QG2 VAL 48 OK 37 73 - 50 - ~4579=11, 2.1/4117=10...(12) HB2 LEU 29 + QG2 VAL 48 OK 19 68 - 28 - ~4581=12, 1.8/4871=8...(4) HD2 LYS 27 + QG2 VAL 48 OK 13 93 - 13 - 1.8/4576=3, ~4574=2...(6) QG2 THR 14 - QG2 VAL 48 lone 6 98 - 6 - 4452/4459=2, 4009/4805=1 Peak 4578 from cnoeabs.peaks (0.65, 3.63, 67.46 ppm; 4.87 A): 3 out of 3 assignments used, quality = 0.89: QD1 LEU 43 + HA VAL 48 OK 83 100 - 83 - 4480/3.2=27, 4491=15...(18) HB2 ARG 55 + HA VAL 48 OK 22 100 - 22 - 1.8/4580=7, 3.0/4580=6...(5) HG2 LYS 27 + HA VAL 48 OK 14 81 - 18 - ~4574=2, ~4568=2...(8) Peak 4579 from cnoeabs.peaks (0.52, 3.63, 67.46 ppm; 4.66 A): 1 out of 1 assignment used, quality = 0.66: QD2 LEU 19 + HA VAL 48 OK 66 92 - 72 - 2.1/4580=21, 4825/3.2=17...(16) Peak 4580 from cnoeabs.peaks (-0.28, 3.63, 67.46 ppm; 5.07 A): 3 out of 3 assignments used, quality = 0.85: QD1 LEU 19 + HA VAL 48 OK 75 100 - 75 - 2.1/4579=42, ~4825=14...(12) HB3 ARG 55 + HA VAL 48 OK 23 100 - 23 - 1.8/4578=8, 3.7/4569=4...(7) HG2 ARG 55 + HA VAL 48 OK 22 100 - 22 - 3.0/4578=7, 3.0/4569=4...(7) Peak 4581 from cnoeabs.peaks (0.14, 1.00, 23.57 ppm; 3.58 A): 0 out of 2 assignments used, low quality = 0.40: QD1 LEU 29 - QG1 VAL 48 OK 40 97 - 42 - 4230=19, 4330/4329=5...(10) QD1 LEU 29 - QG2 VAL 16 poor 6 46 - 14 - 4826/4825=5, 4230=4...(4) Peak 4583 from cnoeabs.peaks (0.99, 4.33, 59.98 ppm; 4.22 A): 2 out of 3 assignments used, quality = 0.82: QG1 VAL 48 + HA LYS 49 OK 80 99 - 81 - 230/3.0=32, 4854=26...(11) QD1 LEU 37 + HA LYS 49 OK 11 63 - 18 - 2.1/2385=3, 231/3.0=3...(6) QG2 VAL 16 - HA LYS 49 lone 5 76 - 6 - 4632/3796=2, 230/3.0=1, 4854=1 Peak 4584 from cnoeabs.peaks (1.26, 2.13, 33.10 ppm; 4.73 A): 3 out of 5 assignments used, quality = 0.85: QG2 THR 46 + HB2 LYS 49 OK 74 99 - 75 - 3.2/3778=34, ~3781=18...(10) HB2 LEU 29 + HB2 LYS 49 OK 26 92 - 28 - 4585/1.8=7, ~4225=4...(8) HD2 LYS 27 + HB2 LYS 49 OK 18 65 - 28 - ~4586=15, 4585/1.8=5...(5) HG LEU 19 - HB2 LYS 49 lone 3 89 - 4 - QG2 THR 44 - HB2 LYS 49 lone 1 71 - 2 - Peak 4585 from cnoeabs.peaks (1.24, 1.88, 33.10 ppm; 5.02 A): 3 out of 5 assignments used, quality = 0.90: QG2 THR 46 + HB3 LYS 49 OK 75 97 - 78 - 3.2/3781=28, ~3778=26...(9) HB2 LEU 29 + HB3 LYS 49 OK 41 100 - 41 - 4584/1.8=7, 4222=6...(11) HD2 LYS 27 + HB3 LYS 49 OK 30 98 - 31 - ~4586=17, 4584/1.8=5...(6) HB2 LEU 43 - HB3 LYS 49 lone 7 93 - 7 - ~4586=2, 4.0/190=1 HG LEU 19 - HB3 LYS 49 lone 4 100 - 4 - Peak 4586 from cnoeabs.peaks (0.63, 1.57, 24.91 ppm; 4.52 A): 0 out of 3 assignments used, low quality = 0.13: HG2 LYS 27 - HG2 LYS 49 OK 13 100 - 13 - ~4585=3, 5.0/589=3...(4) QD1 LEU 43 - HG2 LYS 49 lone 2 63 - 3 - HB2 ARG 55 - HG2 LYS 49 lone 1 76 - 2 - Peak 4591 from cnoeabs.peaks (3.27, 2.13, 33.10 ppm; 4.86 A): 3 out of 4 assignments used, quality = 0.95: HD3 ARG 34 + HB2 LYS 49 OK 85 100 - 85 - 4344/4.0=30, 4342/3.0=26...(10) HB2 PHE 52 + HB2 LYS 49 OK 57 99 - 57 - 3798/3.0=16, 4593/1.8=15...(8) HB3 TRP 51 + HB2 LYS 49 OK 30 76 - 39 - 4.1/4624=9, 4589/4.0=8...(8) HB3 HIS 13 - HB2 LYS 49 lone 4 100 - 4 - Peak 4592 from cnoeabs.peaks (3.54, 1.88, 33.10 ppm; 4.33 A): 2 out of 2 assignments used, quality = 0.87: HD2 ARG 34 + HB3 LYS 49 OK 76 100 - 76 - 4340/3.0=22, 1.8/4593=22...(11) HB3 PHE 52 + HB3 LYS 49 OK 44 96 - 46 - 3800/3.0=13, 1.8/4593=13...(6) Peak 4593 from cnoeabs.peaks (3.27, 1.88, 33.10 ppm; 4.16 A): 3 out of 4 assignments used, quality = 0.89: HD3 ARG 34 + HB3 LYS 49 OK 75 100 - 76 - 1.8/4592=23, 4344/4.0=22...(11) HB2 PHE 52 + HB3 LYS 49 OK 45 99 - 46 - 1.8/4592=13, 3798/3.0=12...(6) HB3 TRP 51 + HB3 LYS 49 OK 18 76 - 24 - 3797/3.0=6, 4589/4.0=6...(7) HB3 HIS 13 - HB3 LYS 49 lone 3 100 - 3 - Peak 4594 from cnoeabs.peaks (6.94, 3.77, 64.05 ppm; 4.95 A): 2 out of 3 assignments used, quality = 0.79: HE21 GLN 53 + HA ILE 50 OK 74 99 - 76 - 4.4/3806=31, 3.5/4600=23...(8) HE3 TRP 51 + HA ILE 50 OK 16 60 - 27 - 737/3.6=16, 4625=6, 254/3802=5 HZ PHE 23 - HA ILE 50 lone 9 99 - 9 - 254/3802=2, 737/3.6=1...(4) Peak 4596 from cnoeabs.peaks (7.49, 0.91, 17.21 ppm; 4.01 A): 2 out of 4 assignments used, quality = 0.76: HD21 ASN 54 + QG2 ILE 50 OK 70 100 - 70 - 4660=32, 1.7/4661=31...(8) HE22 GLN 53 + QG2 ILE 50 OK 20 93 - 22 - ~4594=11, 4.4/4607=7...(4) H GLN 15 - QG2 ILE 50 lone 2 85 - 3 - H TYR 28 - QG2 ILE 50 lone 2 92 - 2 - Peak 4597 from cnoeabs.peaks (6.90, 0.91, 17.21 ppm; 3.80 A): 2 out of 2 assignments used, quality = 0.77: HD22 ASN 54 + QG2 ILE 50 OK 66 99 - 66 - 4661=33, 1.7/4660=26...(7) HE21 GLN 47 + QG2 ILE 50 OK 32 99 - 32 - 4557/2.1=9, ~4560=8...(8) Peak 4598 from cnoeabs.peaks (8.04, 0.80, 12.55 ppm; 5.25 A): 3 out of 7 assignments used, quality = 0.95: H GLN 47 + QD1 ILE 50 OK 77 93 - 83 - 3.0/4544=39, 4.3/4538=35...(10) H GLN 53 + QD1 ILE 50 OK 55 100 - 55 - 3803/4.2=16, 2.9/4603=12...(10) H LYS 22 + QD1 ILE 50 OK 49 99 - 50 - 4147/3.2=9, 4.6/4135=8...(16) H LEU 37 - QD1 ILE 50 OK 11 60 - 18 - 4.5/2509=5, ~1942=3...(4) H ILE 17 - QD1 ILE 50 poor 9 63 - 14 - 4.6/35=3, 3803/4.2=2...(5) H ASN 40 - QD1 ILE 50 lone 8 83 - 9 - 3803/4.2=2, 4852/2.1=1 H LEU 41 - QD1 ILE 50 lone 6 85 - 7 - 3803/4.2=1 Peak 4599 from cnoeabs.peaks (6.91, 0.80, 12.55 ppm; 4.97 A): 3 out of 3 assignments used, quality = 0.88: HD22 ASN 54 + QD1 ILE 50 OK 66 100 - 67 - 4661/3.2=31, ~4596=21...(8) HE21 GLN 47 + QD1 ILE 50 OK 55 100 - 55 - 5.8/4544=20, 4557/3.2=13...(8) HE21 GLN 53 + QD1 ILE 50 OK 22 76 - 29 - 4.4/4605=8, 5.2/4603=7...(5) Peak 4600 from cnoeabs.peaks (2.35, 3.77, 64.05 ppm; 4.55 A): 2 out of 5 assignments used, quality = 0.80: HG3 GLN 53 + HA ILE 50 OK 73 90 - 81 - 3.0/3806=37, 1.8/4601=25...(10) HB3 LYS 22 + HA ILE 50 OK 26 63 - 41 - ~4150=6, 4.0/3803=5...(15) HG2 GLU 33 - HA ILE 50 lone 2 60 - 4 - 1.8/3806=1 HG3 GLN 63 - HA ILE 50 lone 2 99 - 2 - HG2 GLN 63 - HA ILE 50 lone 2 99 - 2 - Peak 4601 from cnoeabs.peaks (2.43, 3.77, 64.05 ppm; 4.66 A): 2 out of 6 assignments used, quality = 0.88: HG2 GLN 53 + HA ILE 50 OK 84 97 - 88 - 3.0/3806=38, 1.8/4600=28...(11) HG3 GLN 47 + HA ILE 50 OK 22 73 - 30 - ~4545=9, ~4560=6...(5) HG3 GLU 18 - HA ILE 50 lone 7 83 - 8 - 1.8/4096=2 HG3 GLU 20 - HA ILE 50 lone 6 100 - 6 - 3.0/3804=1 HD2 ARG 55 - HA ILE 50 lone 5 83 - 7 - 5.8/1052=3, 3.7/3819=2 HG2 GLU 45 - HA ILE 50 lone 2 60 - 3 - Peak 4602 from cnoeabs.peaks (3.98, 0.91, 17.21 ppm; 4.46 A): 2 out of 6 assignments used, quality = 0.58: HA GLN 47 + QG2 ILE 50 OK 45 68 - 66 - 4544/3.2=16, 4543=16...(9) HA LYS 42 + QG2 ILE 50 OK 24 100 - 24 - 3.0/4607=4, 2141/3.2=2...(9) HA ALA 35 - QG2 ILE 50 lone 8 100 - 8 - 3746/160=2, 4354/2.1=2 HB3 SER 24 - QG2 ILE 50 lone 5 95 - 5 - HB2 SER 24 - QG2 ILE 50 lone 5 92 - 5 - HB2 SER 30 - QG2 ILE 50 lone 2 68 - 3 - Peak 4603 from cnoeabs.peaks (3.95, 0.80, 12.55 ppm; 4.18 A): 3 out of 9 assignments used, quality = 0.90: HA GLN 47 + QD1 ILE 50 OK 78 100 - 79 - 4544=44, 3785/3.2=20...(9) HA GLN 53 + QD1 ILE 50 OK 46 90 - 52 - 4649/4.2=12, 3786/3.2=9...(14) HA LYS 42 + QD1 ILE 50 OK 13 65 - 20 - 3.0/4605=3, 3786/3.2=3...(8) HB2 SER 66 - QD1 ILE 50 lone 6 97 - 6 - 4.0/3547=3, 3786/3.2=1 HB2 SER 24 - QD1 ILE 50 lone 5 90 - 5 - ~4602=1 HB3 SER 24 - QD1 ILE 50 lone 4 87 - 5 - HB2 SER 65 - QD1 ILE 50 lone 4 76 - 5 - 4.5/3547=3 HA ALA 35 - QD1 ILE 50 lone 3 63 - 4 - HB3 SER 12 - QD1 ILE 50 lone 2 100 - 2 - Peak 4604 from cnoeabs.peaks (2.98, 0.80, 12.55 ppm; 4.72 A): 3 out of 9 assignments used, quality = 0.52: HE2 LYS 49 + QD1 ILE 50 OK 27 100 - 27 - 4.8/4605=14, 4536/4538=4 HE3 LYS 49 + QD1 ILE 50 OK 27 100 - 27 - 4.8/4605=14, 4536/4538=4 HE3 LYS 22 + QD1 ILE 50 OK 11 60 - 18 - ~4156=4, ~4777=4...(5) HE2 LYS 39 - QD1 ILE 50 lone 5 100 - 5 - 4536/4538=1 HE3 LYS 39 - QD1 ILE 50 lone 5 100 - 5 - 4536/4538=1 HE2 LYS 62 - QD1 ILE 50 lone 4 100 - 3 - HE2 LYS 60 - QD1 ILE 50 lone 4 100 - 3 - HE3 LYS 60 - QD1 ILE 50 lone 3 100 - 3 - HE3 LYS 62 - QD1 ILE 50 lone 3 99 - 3 - Peak 4605 from cnoeabs.peaks (2.13, 0.80, 12.55 ppm; 4.51 A): 3 out of 4 assignments used, quality = 0.90: HB2 LYS 49 + QD1 ILE 50 OK 81 100 - 81 - 4.4/2506=26, 4609/3.2=24...(24) HB2 GLN 53 + QD1 ILE 50 OK 37 71 - 53 - 3.0/4603=10, 4608/2.1=10...(12) HB3 LYS 42 + QD1 ILE 50 OK 16 63 - 25 - 4608/2.1=5, ~4602=4...(10) HG3 PRO 32 - QD1 ILE 50 lone 4 65 - 6 - 4609/3.2=2, 2.3/2507=1 Peak 4607 from cnoeabs.peaks (2.14, 0.91, 17.21 ppm; 4.83 A): 2 out of 5 assignments used, quality = 0.96: HB2 GLN 53 + QG2 ILE 50 OK 85 99 - 86 - ~3806=27, 3804/3.2=22...(17) HB2 LYS 49 + QG2 ILE 50 OK 70 90 - 78 - 3534/4.0=29, 4608/3.2=16...(19) HB3 LYS 42 - QG2 ILE 50 OK 32 97 - 32 - 3.0/4602=10, 3804/3.2=5...(10) HB VAL 48 - QG2 ILE 50 OK 11 81 - 13 - 4624/4.3=5, ~4569=3...(4) HB2 GLU 20 - QG2 ILE 50 lone 5 81 - 6 - 3804/3.2=1 Peak 4608 from cnoeabs.peaks (2.13, 1.29, 29.13 ppm; 4.81 A): 3 out of 3 assignments used, quality = 0.92: HB2 LYS 49 + HG12 ILE 50 OK 83 100 - 84 - 4.4/2492=32, 4609/3.0=26...(21) HB2 GLN 53 + HG12 ILE 50 OK 42 81 - 53 - 3804/4.0=12, 4607/3.2=11...(10) HB3 LYS 42 + HG12 ILE 50 OK 20 73 - 27 - ~4602=5, 4605/2.1=5...(11) Peak 4609 from cnoeabs.peaks (2.12, 1.94, 37.64 ppm; 4.90 A): 1 out of 2 assignments used, quality = 0.76: HB2 LYS 49 + HB ILE 50 OK 76 97 - 78 - 4.4/2478=36, 4605/3.2=20...(19) HG3 PRO 32 - HB ILE 50 lone 5 87 - 6 - 4605/3.2=1 Peak 4610 from cnoeabs.peaks (0.02, 0.80, 12.55 ppm; 4.49 A): 0 out of 0 assignments used, low quality = 0.00: Peak 4611 from cnoeabs.peaks (1.95, 4.02, 63.12 ppm; 4.88 A): 2 out of 9 assignments used, quality = 0.92: HB ILE 50 + HA TRP 51 OK 87 96 - 91 - 244/2.9=30, 2.1/4623=30...(15) HD3 ARG 55 + HA TRP 51 OK 40 76 - 53 - 4837/3.6=17, 4677/4.5=12...(8) HD3 LYS 22 - HA TRP 51 OK 19 96 - 20 - 4614/3.0=4, 244/2.9=4...(7) HB2 ARG 21 - HA TRP 51 OK 14 87 - 16 - 4677/4.5=4, 4619/6.4=3...(5) HB3 LYS 39 - HA TRP 51 OK 13 73 - 18 - 4614/3.0=4, 244/2.9=3...(6) HB2 ARG 34 - HA TRP 51 OK 13 97 - 13 - 4614/3.0=3, 4612/3.0=3...(4) HB2 LYS 39 - HA TRP 51 OK 12 68 - 18 - 4614/3.0=4, ~4614=3...(6) HB3 ARG 21 - HA TRP 51 OK 12 81 - 15 - 4677/4.5=4, 4619/6.4=3...(5) HB3 GLU 67 - HA TRP 51 lone 9 97 - 9 - 4614/3.0=2, 4677/4.5=2...(5) Peak 4612 from cnoeabs.peaks (1.94, 3.50, 29.17 ppm; 4.57 A): 8 out of 9 assignments used, quality = 0.89: HB ILE 50 + HB2 TRP 51 OK 62 99 - 63 - 4.4/734=24, 4614/1.8=20...(7) HD3 ARG 55 + HB2 TRP 51 OK 31 63 - 49 - 4677/3.9=11, 4837/4.3=10...(8) HD3 LYS 22 + HB2 TRP 51 OK 18 89 - 20 - 4614/1.8=5, 4677/3.9=3...(7) HB2 ARG 34 + HB2 TRP 51 OK 15 100 - 15 - 4614/1.8=4, 244/4.1=2...(5) HB2 ARG 21 + HB2 TRP 51 OK 13 76 - 18 - 4677/3.9=4, 4619/5.3=3...(7) HB3 LYS 39 + HB2 TRP 51 OK 13 85 - 15 - 4614/1.8=5, ~4614=3...(5) HB2 LYS 39 + HB2 TRP 51 OK 12 81 - 15 - 4614/1.8=5, ~4614=4...(5) HB3 ARG 21 + HB2 TRP 51 OK 11 68 - 16 - 4677/3.9=4, 4619/5.3=3...(7) HB3 GLU 67 - HB2 TRP 51 lone 8 90 - 9 - 4614/1.8=2, 4615/3.9=2...(4) Peak 4613 from cnoeabs.peaks (3.01, 3.29, 29.17 ppm; 4.99 A): 0 out of 10 assignments used, low quality = 0.00: HE2 LYS 49 - HB3 TRP 51 poor 9 65 - 14 - 6.9/4589=5, 6.3/3797=3...(4) HE3 LYS 49 - HB3 TRP 51 poor 9 65 - 14 - 6.9/4589=5, 6.3/3797=3...(4) HE3 LYS 39 - HB3 TRP 51 lone 6 71 - 8 - 4.9/4614=3, 4.9/4614=3 HE2 LYS 39 - HB3 TRP 51 lone 6 71 - 8 - 4.9/4614=3, 4.9/4614=3 HE2 LYS 42 - HB3 TRP 51 lone 2 96 - 2 - HE3 LYS 42 - HB3 TRP 51 lone 2 96 - 2 - HE3 LYS 62 - HB3 TRP 51 lone 2 83 - 2 - HE2 LYS 62 - HB3 TRP 51 lone 1 76 - 2 - HE3 LYS 60 - HB3 TRP 51 lone 1 76 - 2 - HE2 LYS 60 - HB3 TRP 51 lone 1 73 - 2 - Peak 4614 from cnoeabs.peaks (1.94, 3.29, 29.17 ppm; 4.17 A): 5 out of 7 assignments used, quality = 0.72: HB ILE 50 + HB3 TRP 51 OK 54 100 - 54 - 4.4/2533=21, ~4623=12...(7) HB3 LYS 39 + HB3 TRP 51 OK 13 92 - 14 - 4.9/4613=2, 4.9/4613=2...(6) HD3 LYS 22 + HB3 TRP 51 OK 13 81 - 16 - 4612/1.8=3, 4615/3.9=2...(6) HB2 LYS 39 + HB3 TRP 51 OK 12 89 - 14 - 4.9/4613=2, 4.9/4613=2...(7) HB2 ARG 34 + HB3 TRP 51 OK 11 100 - 11 - 4612/1.8=3, 244/4.1=2...(5) HB2 ARG 21 - HB3 TRP 51 poor 9 65 - 14 - 4677/3.9=3, 4619/5.3=3...(5) HB3 GLU 67 - HB3 TRP 51 lone 6 83 - 7 - 4612/1.8=2, 4615/3.9=1 Peak 4615 from cnoeabs.peaks (1.95, 7.14, 127.21 ppm; 4.19 A): 6 out of 9 assignments used, quality = 0.79: HD3 ARG 55 + HD1 TRP 51 OK 37 81 - 46 - 4619/2.6=11, 4836/5.0=11...(9) HB ILE 50 + HD1 TRP 51 OK 36 90 - 40 - 4.4/736=17, 4614/3.9=10...(5) HB2 ARG 21 + HD1 TRP 51 OK 18 90 - 20 - 4619/2.6=6, ~4619=4...(11) HD3 LYS 22 + HD1 TRP 51 OK 16 97 - 16 - 4619/2.6=3, 4614/3.9=2...(5) HB3 ARG 21 + HD1 TRP 51 OK 15 85 - 18 - 4619/2.6=5, ~4619=4...(10) HB2 ARG 34 + HD1 TRP 51 OK 10 93 - 11 - 4614/3.9=2, 4612/3.9=2...(5) HB3 GLU 67 - HD1 TRP 51 lone 8 97 - 8 - 4619/2.6=2, 4614/3.9=1 HB3 LYS 39 - HD1 TRP 51 lone 5 63 - 7 - 4614/3.9=3, 4612/3.9=2...(4) HB2 LYS 39 - HD1 TRP 51 lone 4 58 - 7 - 4614/3.9=2, 4612/3.9=1...(4) Peak 4621 from cnoeabs.peaks (0.93, 3.29, 29.17 ppm; 5.08 A): 4 out of 5 assignments used, quality = 0.87: QG2 VAL 48 + HB3 TRP 51 OK 56 87 - 65 - 3.2/3793=23, ~3790=21...(7) QG2 ILE 50 + HB3 TRP 51 OK 52 83 - 64 - 4.3/2533=30, 2.1/4614=21...(5) QD2 LEU 37 + HB3 TRP 51 OK 29 90 - 32 - ~4622=10, 245/4.1=6...(7) QD1 LEU 37 + HB3 TRP 51 OK 14 60 - 22 - 4622/1.8=11, ~4623=7...(4) QD1 LEU 64 - HB3 TRP 51 lone 3 63 - 5 - 4623/3.0=2, 245/4.1=1 Peak 4622 from cnoeabs.peaks (0.95, 3.50, 29.17 ppm; 5.10 A): 2 out of 2 assignments used, quality = 0.72: QG2 VAL 48 + HB2 TRP 51 OK 59 100 - 59 - 3.2/3790=30, ~3793=16...(7) QD1 LEU 37 + HB2 TRP 51 OK 31 96 - 32 - 4378/4114=16, ~4623=7...(5) Peak 4623 from cnoeabs.peaks (0.91, 4.02, 63.12 ppm; 4.29 A): 2 out of 3 assignments used, quality = 0.87: QG2 ILE 50 + HA TRP 51 OK 82 100 - 82 - 245/2.9=28, ~244=16...(17) QD2 LEU 37 + HA TRP 51 OK 29 99 - 30 - 245/2.9=7, ~4622=6...(10) QD1 LEU 64 - HA TRP 51 lone 9 100 - 9 - 4659/3813=2, 245/2.9=2...(5) Peak 4625 from cnoeabs.peaks (3.76, 6.97, 121.43 ppm; 4.97 A): 2 out of 6 assignments used, quality = 0.79: HA PHE 52 + HE3 TRP 51 OK 68 85 - 80 - 4793/2.5=35, 4794=32...(8) HA ILE 50 + HE3 TRP 51 OK 32 85 - 38 - 3.6/737=28, 3802/254=9...(4) HA ARG 34 - HE3 TRP 51 lone 4 57 - 7 - 3.0/4725=4, 4.0/4211=1 HA3 GLY 69 - HE3 TRP 51 lone 1 72 - 2 - HA2 GLY 69 - HE3 TRP 51 lone 1 70 - 2 - HA GLN 15 - HE3 TRP 51 lone 1 47 - 3 - Peak 4626 from cnoeabs.peaks (7.72, 3.50, 29.17 ppm; 5.08 A): 2 out of 3 assignments used, quality = 0.55: QD PHE 52 + HB2 TRP 51 OK 45 76 - 60 - 747/4.3=23, 4729/3.0=22...(6) H ARG 56 + HB2 TRP 51 OK 18 76 - 24 - 4.7/4750=8, 4627/4.2=7...(6) H THR 59 - HB2 TRP 51 lone 4 100 - 4 - 4627/4.2=1 Peak 4627 from cnoeabs.peaks (7.73, 6.97, 121.43 ppm; 5.42 A): 2 out of 3 assignments used, quality = 0.74: QD PHE 52 + HE3 TRP 51 OK 65 78 - 83 - 3.7/4794=28, 4.5/254=25...(9) H ARG 56 + HE3 TRP 51 OK 27 78 - 34 - 4626/4.2=8, 4.7/4680=6...(10) H THR 59 - HE3 TRP 51 lone 5 85 - 5 - 4626/4.2=2 Peak 4628 from cnoeabs.peaks (4.23, 6.44, 123.75 ppm; 4.23 A): 1 out of 4 assignments used, quality = 0.78: HA GLU 20 + HH2 TRP 51 OK 78 84 - 93 - 4131=49, 4684/2.5=31...(11) HB3 SER 30 - HH2 TRP 51 lone 6 85 - 7 - 4627/4636=2, 3710/4168=2...(4) HA ALA 31 - HH2 TRP 51 lone 4 71 - 5 - 4627/4636=1 HA ARG 61 - HH2 TRP 51 lone 3 74 - 4 - Peak 4629 from cnoeabs.peaks (2.45, 7.25, 114.23 ppm; 4.36 A): 2 out of 4 assignments used, quality = 0.92: HG2 GLU 20 + HZ2 TRP 51 OK 81 90 - 91 - 4132=41, 1.8/4133=30...(12) HG3 GLU 20 + HZ2 TRP 51 OK 56 64 - 87 - 1.8/4132=37, 4.1/4129=22...(12) HB2 ASN 54 - HZ2 TRP 51 poor 9 64 - 14 - 4617/2.8=5, 3812/7.7=4 HG2 GLN 53 - HZ2 TRP 51 lone 4 93 - 5 - Peak 4630 from cnoeabs.peaks (1.97, 7.25, 114.23 ppm; 5.11 A): 7 out of 10 assignments used, quality = 0.94: HD3 ARG 55 + HZ2 TRP 51 OK 74 98 - 76 - 4836=39, 4619/2.8=13...(12) HB2 ARG 21 + HZ2 TRP 51 OK 29 98 - 29 - 4619/2.8=7, 3.5/4727=6...(8) HB3 ARG 21 + HZ2 TRP 51 OK 28 98 - 29 - 4619/2.8=6, 3.5/4727=6...(8) HB2 GLU 18 + HZ2 TRP 51 OK 24 67 - 37 - ~4693=12, 4693/2.5=7...(6) HB3 GLU 18 + HZ2 TRP 51 OK 24 67 - 37 - ~4693=12, 4693/2.5=7...(6) HD3 LYS 22 + HZ2 TRP 51 OK 15 94 - 16 - 4619/2.8=4, 4677/5.0=4...(5) HB2 MET 11 + HZ2 TRP 51 OK 14 64 - 22 - 4693/2.5=4, 4712/4045=4...(7) HB3 GLU 67 - HZ2 TRP 51 lone 9 93 - 9 - 4619/2.8=2, 4677/5.0=2, ~4618=1 HG2 PRO 32 - HZ2 TRP 51 lone 4 93 - 5 - HB3 GLN 63 - HZ2 TRP 51 lone 2 64 - 3 - Peak 4631 from cnoeabs.peaks (1.02, 7.25, 114.23 ppm; 4.18 A): 2 out of 3 assignments used, quality = 0.97: QG1 VAL 16 + HZ2 TRP 51 OK 84 93 - 90 - 4043=46, 4048/2.8=29...(15) QG2 VAL 16 + HZ2 TRP 51 OK 84 95 - 88 - 2.1/4043=35, 4047/2.8=27...(15) QG1 VAL 48 - HZ2 TRP 51 lone 6 67 - 9 - 4045=2, 4108/4694=1...(4) Peak 4634 from cnoeabs.peaks (7.17, 7.53, 132.28 ppm; 4.43 A): 0 out of 0 assignments used, low quality = 0.00: Peak 4635 from cnoeabs.peaks (7.17, 7.18, 59.08 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: * HZ PHE 52 + HZ PHE 52 OK 99 99 - 100 Peak 4636 from cnoeabs.peaks (7.52, 7.18, 59.08 ppm; 3.57 A): 1 out of 1 assignment used, quality = 1.00: QE PHE 52 + HZ PHE 52 OK 100 100 - 100 - 2.2=100 Peak 4637 from cnoeabs.peaks (7.72, 7.18, 59.08 ppm; 5.18 A): 1 out of 1 assignment used, quality = 0.78: QD PHE 52 + HZ PHE 52 OK 78 78 - 100 - 3.8=100 Peak 4638 from cnoeabs.peaks (4.74, 7.18, 59.08 ppm; 5.10 A): 1 out of 2 assignments used, quality = 0.64: HA PHE 23 + HZ PHE 52 OK 64 95 - 68 - 4703/2.2=45, ~4746=18...(4) HA TYR 28 - HZ PHE 52 lone 1 71 - 2 - Peak 4640 from cnoeabs.peaks (2.38, 7.18, 59.08 ppm; 4.53 A): 1 out of 9 assignments used, quality = 0.76: HB3 LYS 22 + HZ PHE 52 OK 76 100 - 76 - 4142=32, 1.8/4141=24...(9) HG3 GLU 18 - HZ PHE 52 lone 5 73 - 7 - ~1264=2, 1270/2.2=1 HD2 ARG 55 - HZ PHE 52 lone 5 73 - 6 - 3.7/4835=5 HG2 GLU 45 - HZ PHE 52 lone 4 92 - 4 - HG3 GLN 47 - HZ PHE 52 lone 2 83 - 3 - HG2 MET 11 - HZ PHE 52 lone 2 100 - 2 - HG3 GLN 53 - HZ PHE 52 lone 2 92 - 2 - HG3 GLN 63 - HZ PHE 52 lone 1 76 - 2 - HG2 GLN 63 - HZ PHE 52 lone 1 71 - 2 - Peak 4641 from cnoeabs.peaks (2.04, 7.18, 59.08 ppm; 5.07 A): 3 out of 7 assignments used, quality = 0.87: HB2 LYS 22 + HZ PHE 52 OK 74 92 - 80 - 1.8/4640=35, 4141=27...(8) HB3 GLN 26 + HZ PHE 52 OK 29 85 - 35 - 3.0/4859=12, 3.0/4859=12...(6) HB2 GLN 26 + HZ PHE 52 OK 29 85 - 35 - 3.0/4859=12, 3.0/4859=12...(6) HB3 ARG 56 - HZ PHE 52 lone 8 100 - 8 - 3.9/4672=2, 3.0/4673=1 HB2 GLU 45 - HZ PHE 52 lone 5 100 - 5 - 3.0/4640=2 HB3 GLU 45 - HZ PHE 52 lone 5 100 - 5 - 3.0/4640=2 HB3 GLU 20 - HZ PHE 52 lone 4 100 - 4 - Peak 4642 from cnoeabs.peaks (1.68, 7.18, 59.08 ppm; 4.14 A): 3 out of 13 assignments used, quality = 0.85: HG3 LYS 22 + HZ PHE 52 OK 72 100 - 72 - 2.9/4640=21, 1.8/4144=20...(9) HB2 LEU 37 + HZ PHE 52 OK 31 89 - 35 - ~4391=12, 3.1/4643=11...(5) HG13 ILE 50 + HZ PHE 52 OK 22 97 - 23 - ~4730=13, 3.2/4643=6, ~4705=3 HB2 LEU 64 - HZ PHE 52 lone 3 83 - 3 - HD3 LYS 49 - HZ PHE 52 lone 2 81 - 2 - HD2 LYS 49 - HZ PHE 52 lone 1 78 - 2 - HD3 LYS 39 - HZ PHE 52 lone 1 95 - 1 - HD2 LYS 39 - HZ PHE 52 lone 1 95 - 1 - HD2 LYS 62 - HZ PHE 52 lone 1 97 - 1 - HD2 LYS 60 - HZ PHE 52 lone 1 98 - 1 - HD3 LYS 62 - HZ PHE 52 lone 1 96 - 1 - HD3 LYS 60 - HZ PHE 52 lone 1 97 - 1 - HD3 LYS 42 - HZ PHE 52 lone 1 81 - 1 - Peak 4643 from cnoeabs.peaks (0.93, 7.18, 59.08 ppm; 4.72 A): 3 out of 4 assignments used, quality = 0.85: QD2 LEU 37 + HZ PHE 52 OK 61 97 - 63 - 4391/2.2=27, 4392=14...(12) QG2 VAL 48 + HZ PHE 52 OK 40 76 - 53 - ~4731=21, 4705/2.2=17...(10) QG2 ILE 50 + HZ PHE 52 OK 34 92 - 37 - ~4730=13, 4705/2.2=9...(9) QD1 LEU 64 - HZ PHE 52 lone 5 76 - 6 - Peak 4644 from cnoeabs.peaks (0.95, 7.53, 132.28 ppm; 5.30 A): 0 out of 0 assignments used, low quality = 0.00: Peak 4645 from cnoeabs.peaks (0.98, 7.75, 131.98 ppm; 5.25 A): 0 out of 0 assignments used, low quality = 0.00: Peak 4646 from cnoeabs.peaks (0.52, 7.53, 132.28 ppm; 4.97 A): 0 out of 0 assignments used, low quality = 0.00: Peak 4647 from cnoeabs.peaks (0.46, 7.18, 59.08 ppm; 4.80 A): 1 out of 1 assignment used, quality = 0.91: QD2 LEU 29 + HZ PHE 52 OK 91 100 - 91 - 4724/2.2=39, 2.1/4648=36...(14) Peak 4648 from cnoeabs.peaks (0.15, 7.18, 59.08 ppm; 4.95 A): 1 out of 1 assignment used, quality = 0.92: QD1 LEU 29 + HZ PHE 52 OK 92 100 - 92 - 4708/2.2=41, 2.1/4647=40...(13) Peak 4649 from cnoeabs.peaks (3.79, 3.94, 59.15 ppm; 4.71 A): 3 out of 5 assignments used, quality = 0.83: HA ILE 50 + HA GLN 53 OK 77 90 - 86 - 3806/3.0=33, 3804/3.0=19...(14) HA ARG 34 + HA GLN 53 OK 15 100 - 15 - 3807/3.0=2, 4650/3.7=2...(6) HA GLN 15 + HA GLN 53 OK 10 100 - 10 - 1048/3.6=2, 4650/3.7=1...(6) HD3 PRO 32 - HA GLN 53 lone 6 97 - 6 - HA THR 14 - HA GLN 53 lone 4 76 - 5 - Peak 4650 from cnoeabs.peaks (3.78, 2.44, 33.72 ppm; 4.95 A): 3 out of 5 assignments used, quality = 0.95: HA ILE 50 + HG2 GLN 53 OK 91 100 - 91 - 3806/3.0=41, 4601=31...(11) HA PHE 52 + HG2 GLN 53 OK 35 78 - 45 - 3.6/752=29, 3807/3.0=10...(4) HA ARG 34 + HG2 GLN 53 OK 13 97 - 13 - 4649/3.7=4, 3807/3.0=3...(4) HA GLN 15 - HG2 GLN 53 lone 8 92 - 8 - 4649/3.7=3, 3805/3.0=2 HD3 PRO 32 - HG2 GLN 53 lone 4 81 - 5 - 4649/3.7=2 Peak 4652 from cnoeabs.peaks (3.13, 2.37, 33.72 ppm; 6.00 A): 4 out of 12 assignments used, quality = 0.68: HD2 ARG 61 + HG3 GLN 63 OK 25 87 - 30 - 1.8/4691=7, 4691=7...(5) HD3 ARG 61 + HG3 GLN 63 OK 25 87 - 30 - 1.8/4691=7, 4691=7...(5) HD2 ARG 61 + HG2 GLN 63 OK 24 83 - 30 - ~4691=7, 4691/1.8=7...(5) HD3 ARG 61 + HG2 GLN 63 OK 24 83 - 30 - ~4691=7, 4691/1.8=7...(5) HD2 ARG 61 - HG3 GLN 53 lone 7 95 - 7 - 1.8/4691=2, 4691=2 HD3 ARG 61 - HG3 GLN 53 lone 7 95 - 7 - 1.8/4691=2, 4691=2 HB2 PHE 23 - HG3 GLN 63 lone 6 61 - 10 - ~4747=2, 4746/3.5=2, ~4630=2 HB2 PHE 23 - HG2 GLN 63 lone 6 57 - 10 - ~4747=2, 4746/3.5=2, ~4630=2 HB2 PHE 23 - HG3 GLN 53 lone 4 68 - 5 - 4.0/69=2 HB3 HIS 10 - HG3 GLN 53 lone 3 78 - 3 - HB3 HIS 10 - HG3 GLN 63 lone 2 71 - 3 - HB3 HIS 10 - HG2 GLN 63 lone 2 66 - 3 - Peak 4655 from cnoeabs.peaks (6.69, 2.15, 28.54 ppm; 4.67 A): 2 out of 3 assignments used, quality = 0.72: HE22 GLN 15 + HB3 LYS 42 OK 67 84 - 80 - 4039=37, 1.7/4032=33...(7) HE22 GLN 15 + HB2 GLN 53 OK 15 100 - 14 - 4039=7, 1.7/4032=6 HE22 GLN 15 - HB2 GLU 20 lone 3 46 - 6 - 4039=2, 1.7/4032=2 Peak 4656 from cnoeabs.peaks (6.82, 2.44, 33.72 ppm; 5.07 A): 0 out of 2 assignments used, low quality = 0.12: QE TYR 57 - HG2 GLN 53 OK 12 100 - 12 - ~4715=11 QE TYR 28 - HG2 GLN 53 lone 1 63 - 2 - Peak 4658 from cnoeabs.peaks (0.90, 2.48, 37.68 ppm; 5.36 A): 3 out of 3 assignments used, quality = 0.89: QG2 ILE 50 + HB2 ASN 54 OK 75 97 - 78 - 4596/3.4=30, 4661/3.4=30...(7) QD2 LEU 37 + HB2 ASN 54 OK 38 93 - 41 - 4659/1.8=11, 4660/3.4=8...(7) QD1 LEU 64 + HB2 ASN 54 OK 30 100 - 30 - 4659/1.8=10, 4660/3.4=6...(5) Peak 4659 from cnoeabs.peaks (0.90, 2.65, 37.68 ppm; 4.99 A): 3 out of 3 assignments used, quality = 0.82: QG2 ILE 50 + HB3 ASN 54 OK 65 92 - 71 - 4661/3.4=26, 4596/3.4=25...(7) QD2 LEU 37 + HB3 ASN 54 OK 30 85 - 36 - 4658/1.8=9, 4660/3.4=7...(7) QD1 LEU 64 + HB3 ASN 54 OK 26 99 - 26 - 4658/1.8=8, 4660/3.4=6...(5) Peak 4663 from cnoeabs.peaks (3.91, 4.36, 55.11 ppm; 4.46 A): 1 out of 18 assignments used, quality = 0.50: HA GLN 53 + HA ASN 54 OK 50 76 - 66 - ~268=15, ~267=14...(11) HD2 PRO 32 - HA LEU 68 lone 3 88 - 3 - ~368=1 HD2 PRO 32 - HA ASN 54 lone 2 100 - 2 - HA LYS 27 - HA ASN 54 lone 2 96 - 2 - HA LYS 27 - HA LEU 68 lone 2 81 - 2 - HA THR 46 - HA ASN 54 lone 2 97 - 2 - HA GLN 53 - HA LEU 68 lone 2 61 - 3 - 3829/3831=1 HA THR 46 - HA LEU 68 lone 1 82 - 2 - HD2 PRO 32 - HA LEU 64 lone 1 59 - 2 - HB2 SER 65 - HA ASN 54 lone 1 90 - 1 - HB2 SER 65 - HA LEU 68 lone 1 75 - 1 - HA THR 46 - HA LEU 64 lone 1 54 - 2 - HB2 SER 66 - HA ASN 54 lone 1 63 - 1 - HA LYS 27 - HA LEU 64 lone 1 53 - 1 - HA GLN 53 - HA LEU 64 lone 1 38 - 2 - HB2 SER 66 - HA LEU 68 lone 1 49 - 1 - HB2 SER 65 - HA LEU 64 lone 1 48 - 1 - HB2 SER 66 - HA LEU 64 lone 0 30 - 1 - Peak 4667 from cnoeabs.peaks (7.13, 4.36, 55.11 ppm; 4.72 A): 2 out of 12 assignments used, quality = 0.70: QD TYR 57 + HA ASN 54 OK 60 89 - 68 - 2.5/3832=23, 2.5/3834=22...(7) QD TYR 57 + HA LEU 68 OK 26 73 - 36 - 2.5/3832=11, 2.5/3834=11...(5) HD1 TRP 51 - HA ASN 54 lone 7 95 - 7 - ~4617=4 QD TYR 57 - HA LEU 64 poor 5 47 - 11 - 2.5/3835=3, 2.5/3833=2...(5) QD TYR 28 - HA LEU 68 lone 3 88 - 3 - 4663/3.0=2 QD TYR 28 - HA ASN 54 lone 2 100 - 2 - HD2 HIS 13 - HA ASN 54 lone 2 99 - 2 - HD1 TRP 51 - HA LEU 68 lone 2 79 - 2 - HD2 HIS 13 - HA LEU 68 lone 2 86 - 2 - HD1 TRP 51 - HA LEU 64 lone 1 52 - 2 - HD2 HIS 13 - HA LEU 64 lone 1 57 - 2 - QD TYR 28 - HA LEU 64 lone 1 60 - 2 - Peak 4669 from cnoeabs.peaks (1.52, 3.43, 56.09 ppm; 4.93 A): 2 out of 3 assignments used, quality = 0.86: HD3 LYS 58 + HA ARG 55 OK 62 87 - 72 - 3.5/3840=29, 3.5/3842=27...(5) HD2 LYS 58 + HA ARG 55 OK 62 87 - 72 - 3.5/3840=29, 3.5/3842=27...(5) HG3 LYS 39 - HA ARG 55 lone 4 76 - 6 - 4.9/3838=2, 2025/1066=1 Peak 4673 from cnoeabs.peaks (7.16, 4.08, 59.51 ppm; 4.07 A): 2 out of 8 assignments used, quality = 0.88: QE PHE 23 + HA ARG 56 OK 80 93 - 86 - 2.2/4674=30, 4638=26...(12) QD TYR 57 + HA ARG 56 OK 39 92 - 43 - 783/3.6=17, 4.6/3843=9...(6) HD1 TRP 51 - HA ARG 56 poor 9 85 - 10 - 4672/3.0=3, 5.1/4674=2...(5) HD1 TRP 51 - HA ARG 21 poor 9 75 - 12 - 4677/3.0=4, 4677/3.0=4, ~4619=3 QE PHE 23 - HA ARG 21 lone 7 83 - 9 - 2.2/4674=3, 4638=2, 2.2/4628=2 HZ PHE 52 - HA ARG 56 lone 6 87 - 6 - 4672/3.0=2 QD TYR 57 - HA ARG 21 lone 1 82 - 2 - HZ PHE 52 - HA ARG 21 lone 1 77 - 1 - Peak 4674 from cnoeabs.peaks (6.95, 4.08, 59.51 ppm; 3.68 A): 2 out of 6 assignments used, quality = 0.75: HZ PHE 23 + HA ARG 56 OK 72 100 - 73 - 4640=29, 2.2/4638=18...(11) HE3 TRP 51 + HA ARG 56 OK 11 87 - 13 - 4673/3.0=5, 4726/3.6=3...(4) HZ PHE 23 - HA ARG 21 lone 6 92 - 6 - 4640=2, 2.2/4673=1, 3.8/4628=1 HE3 TRP 51 - HA ARG 21 lone 3 77 - 4 - 4725/3.9=1 HE21 GLN 53 - HA ARG 56 lone 1 85 - 2 - HE21 GLN 53 - HA ARG 21 lone 1 75 - 1 - Peak 4675 from cnoeabs.peaks (7.15, 2.20, 30.34 ppm; 4.70 A): 3 out of 6 assignments used, quality = 0.85: QE PHE 23 + HG2 ARG 56 OK 68 76 - 89 - 4643=31, 4646/1.8=23...(11) QD TYR 57 + HG2 ARG 56 OK 33 99 - 33 - 4718/1.8=14, 4717/3.0=9...(4) QD TYR 28 + HG2 ARG 56 OK 30 73 - 41 - ~4215=11, ~4668=10...(6) HD1 TRP 51 - HG2 ARG 56 lone 9 97 - 9 - 4676/1.8=3, 4672/4.6=3 HZ PHE 52 - HG2 ARG 56 lone 5 65 - 7 - 4672/4.6=2, 4676/1.8=1 HD2 HIS 13 - HG2 ARG 56 lone 1 57 - 2 - Peak 4676 from cnoeabs.peaks (7.15, 1.45, 30.34 ppm; 4.32 A): 3 out of 6 assignments used, quality = 0.85: QE PHE 23 + HG3 ARG 56 OK 64 76 - 84 - 4643/1.8=31, 2.2/4677=26...(9) QD TYR 57 + HG3 ARG 56 OK 41 99 - 42 - 4718=15, 4717/3.0=8...(7) QD TYR 28 + HG3 ARG 56 OK 29 73 - 39 - ~4215=9, 2.2/4671=9...(7) HD1 TRP 51 - HG3 ARG 56 lone 10 97 - 10 - 5.1/4677=2, 4675/1.8=2...(4) HZ PHE 52 - HG3 ARG 56 lone 4 65 - 6 - 4672/4.6=2, 4675/1.8=1 HD2 HIS 13 - HG3 ARG 56 lone 1 57 - 1 - Peak 4677 from cnoeabs.peaks (6.96, 1.45, 30.34 ppm; 4.79 A): 2 out of 3 assignments used, quality = 0.88: HZ PHE 23 + HG3 ARG 56 OK 86 93 - 92 - 4648/1.8=33, ~4643=32...(10) HE3 TRP 51 + HG3 ARG 56 OK 14 98 - 14 - 4673/4.6=7, 4674/3.8=4 HE21 GLN 53 - HG3 ARG 56 lone 2 63 - 3 - Peak 4678 from cnoeabs.peaks (4.26, 4.11, 57.48 ppm; 4.44 A): 2 out of 5 assignments used, quality = 0.81: HA THR 59 + HA LYS 58 OK 72 100 - 72 - 3.0/302=36, ~301=16...(8) HB THR 59 + HA LYS 58 OK 34 83 - 41 - 4.0/302=29, ~4682=9, 2.1/4841=8 HA ARG 61 - HA LYS 58 lone 7 85 - 8 - 5.4/4679=1, 5.4/4679=1...(4) HA LYS 62 - HA LYS 58 lone 5 100 - 5 - HA LYS 60 - HA LYS 58 lone 2 100 - 2 - Peak 4679 from cnoeabs.peaks (3.12, 4.11, 57.48 ppm; 5.22 A): 1 out of 4 assignments used, quality = 0.57: HB2 TYR 57 + HA LYS 58 OK 57 71 - 80 - 2.5/4710=44, 297/3.0=27...(6) HD3 ARG 61 - HA LYS 58 lone 6 78 - 8 - 5.4/4678=2, ~786=1...(4) HD2 ARG 61 - HA LYS 58 lone 6 78 - 8 - 5.4/4678=2, ~786=1...(4) HB3 HIS 10 - HA LYS 58 lone 3 95 - 3 - Peak 4681 from cnoeabs.peaks (1.77, 4.26, 62.83 ppm; 4.56 A): 0 out of 3 assignments used, low quality = 0.14: HB3 LYS 62 - HA THR 59 OK 14 99 - 14 - ~4881=5, 4.3/334=3...(5) HB3 LYS 60 - HA THR 59 lone 8 97 - 8 - ~4881=3, 303/3.0=2 HB2 PRO 32 - HA THR 59 lone 1 63 - 2 - Peak 4682 from cnoeabs.peaks (1.74, 1.28, 21.70 ppm; 4.04 A): 0 out of 12 assignments used, low quality = 0.36: HB3 LYS 58 - QG2 THR 59 OK 26 84 - 32 - 4.6/797=20, ~4678=7, 3.0/4841=7 HB2 ARG 56 - QG2 THR 59 OK 14 68 - 20 - 3.0/4838=10, ~4840=6...(4) HB2 ARG 56 - QG2 THR 44 lone 7 83 - 8 - 3.0/4838=5, 4645/4503=2 HB3 LEU 37 - QG2 THR 59 lone 3 85 - 4 - ~4840=1 HB3 LYS 58 - QG2 THR 44 lone 3 97 - 3 - HD2 LYS 42 - QG2 THR 59 lone 2 66 - 3 - 304/4.0=1 HB3 ARG 61 - QG2 THR 59 lone 2 79 - 2 - HB3 LEU 37 - QG2 THR 44 lone 2 98 - 2 - HG2 LYS 22 - QG2 THR 59 lone 1 53 - 2 - HG2 LYS 22 - QG2 THR 44 lone 1 65 - 2 - HB3 ARG 61 - QG2 THR 44 lone 1 93 - 1 - HD2 LYS 42 - QG2 THR 44 lone 1 81 - 1 - Peak 4686 from cnoeabs.peaks (3.14, 1.81, 30.54 ppm; 3.99 A): 2 out of 2 assignments used, quality = 1.00: HD3 ARG 61 + HB2 ARG 61 OK 100 100 - 100 - 3.5=100 HD2 ARG 61 + HB2 ARG 61 OK 100 100 - 100 - 3.5=100 Peak 4687 from cnoeabs.peaks (3.90, 3.14, 43.26 ppm; 4.24 A): 0 out of 6 assignments used, low quality = 0.00: HA THR 46 - HD2 ARG 61 lone 8 100 - 9 - 4534/3.0=3, 4534/3.0=3 HA THR 46 - HD3 ARG 61 lone 8 100 - 9 - 4534/3.0=3, 4534/3.0=3 HD2 PRO 32 - HD3 ARG 61 lone 1 93 - 1 - HD2 PRO 32 - HD2 ARG 61 lone 1 93 - 1 - HA LYS 27 - HD2 ARG 61 lone 1 100 - 1 - HA LYS 27 - HD3 ARG 61 lone 1 100 - 1 - Peak 4688 from cnoeabs.peaks (3.58, 3.14, 43.26 ppm; 4.05 A): 0 out of 2 assignments used, low quality = 0.00: HA ALA 38 - HD3 ARG 61 lone 4 57 - 6 - ~4414=1, ~4406=1, 3766/3.0=1 HA ALA 38 - HD2 ARG 61 lone 4 57 - 6 - ~4414=1, ~4406=1, 3766/3.0=1 Peak 4691 from cnoeabs.peaks (2.38, 3.14, 43.26 ppm; 4.14 A): 0 out of 18 assignments used, low quality = 0.37: HG3 GLN 63 - HD2 ARG 61 OK 11 87 - 13 - 4652/1.8=3, 4652=3...(5) HG3 GLN 63 - HD3 ARG 61 OK 11 87 - 13 - 4652/1.8=3, 4652=3...(5) HG2 GLN 63 - HD2 ARG 61 OK 11 83 - 13 - ~4652=3, 1.8/4652=3...(5) HG2 GLN 63 - HD3 ARG 61 OK 11 83 - 13 - ~4652=3, 1.8/4652=3...(5) HG2 GLU 45 - HD2 ARG 61 lone 4 83 - 5 - 4519/3.0=1, 4519/3.0=1, ~4518=1 HG2 GLU 45 - HD3 ARG 61 lone 4 83 - 5 - 4519/3.0=1, 4519/3.0=1, ~4518=1 HB3 LYS 22 - HD2 ARG 61 lone 3 100 - 3 - HB3 LYS 22 - HD3 ARG 61 lone 3 100 - 3 - HG3 GLN 53 - HD2 ARG 61 lone 3 97 - 3 - HG3 GLN 53 - HD3 ARG 61 lone 3 97 - 3 - HG3 GLN 47 - HD2 ARG 61 lone 1 71 - 2 - HG3 GLN 47 - HD3 ARG 61 lone 1 71 - 2 - HG2 MET 11 - HD3 ARG 61 lone 1 99 - 1 - HG2 MET 11 - HD2 ARG 61 lone 1 99 - 1 - HG3 GLU 18 - HD2 ARG 61 lone 1 60 - 1 - HG3 GLU 18 - HD3 ARG 61 lone 1 60 - 1 - HD2 ARG 55 - HD2 ARG 61 lone 1 60 - 1 - HD2 ARG 55 - HD3 ARG 61 lone 1 60 - 1 - Peak 4692 from cnoeabs.peaks (9.12, 4.26, 56.50 ppm; 5.04 A): 0 out of 0 assignments used, low quality = 0.00: Peak 4693 from cnoeabs.peaks (1.67, 2.08, 29.35 ppm; 4.35 A): 0 out of 11 assignments used, low quality = 0.29: HB2 LEU 64 - HB2 GLN 63 OK 29 97 - 31 - 836/4.6=17, 1.8/4694=16 HB2 LEU 37 - HB2 GLN 63 lone 3 99 - 3 - HG3 LYS 22 - HB2 GLN 63 lone 2 99 - 2 - HD3 LYS 62 - HB2 GLN 63 lone 2 100 - 2 - HD2 LYS 62 - HB2 GLN 63 lone 2 100 - 2 - HD3 LYS 60 - HB2 GLN 63 lone 2 100 - 2 - HD2 LYS 60 - HB2 GLN 63 lone 2 100 - 2 - HD3 LYS 42 - HB2 GLN 63 lone 1 96 - 2 - HG13 ILE 50 - HB2 GLN 63 lone 1 83 - 1 - HD2 LYS 39 - HB2 GLN 63 lone 1 78 - 1 - HD3 LYS 39 - HB2 GLN 63 lone 1 78 - 1 - Peak 4694 from cnoeabs.peaks (1.59, 2.08, 29.35 ppm; 4.57 A): 0 out of 9 assignments used, low quality = 0.26: HB3 LEU 64 - HB2 GLN 63 OK 26 73 - 36 - 1.8/4693=26, 837/4.6=12 HG3 ARG 34 - HB2 GLN 63 lone 9 99 - 9 - ~4340=2, 3.0/4337=2...(5) HG2 ARG 61 - HB2 GLN 63 lone 7 100 - 7 - ~4691=3, ~4652=2 HG3 ARG 61 - HB2 GLN 63 lone 7 100 - 7 - ~4691=3, ~4652=2 HG LEU 68 - HB2 GLN 63 lone 3 78 - 3 - 4.9/368=1 HB2 LEU 41 - HB2 GLN 63 lone 3 73 - 3 - HB3 LEU 43 - HB2 GLN 63 lone 2 97 - 2 - HG3 ARG 21 - HB2 GLN 63 lone 2 97 - 2 - HG2 LYS 49 - HB2 GLN 63 lone 1 78 - 2 - Peak 4698 from cnoeabs.peaks (2.48, 2.48, 32.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 MET 11 + HG3 MET 11 OK 100 100 - 100 Peak 4699 from cnoeabs.peaks (2.39, 2.39, 32.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 MET 11 + HG2 MET 11 OK 100 100 - 100 Peak 4702 from cnoeabs.peaks (1.62, 2.48, 32.80 ppm; 5.04 A): 4 out of 11 assignments used, quality = 0.97: HB3 LEU 43 + HG3 MET 11 OK 73 89 - 82 - 3.1/4725=30, ~4720=22...(13) HB3 GLN 15 + HG3 MET 11 OK 60 95 - 63 - ~4822=13, 4014/4736=11...(12) HG LEU 68 + HG3 MET 11 OK 52 100 - 52 - 2.1/4724=11, 2.1/4724=11...(11) HB3 LEU 68 + HG3 MET 11 OK 48 97 - 50 - 3.1/4724=10, 3.1/4724=10...(11) HB2 LEU 68 - HG3 MET 11 OK 45 90 - 50 - 3.1/4724=10, 3.1/4724=10...(11) HB2 LEU 41 - HG3 MET 11 OK 29 100 - 29 - 1.8/4443=8, 4820/4725=5...(9) HB3 LEU 64 - HG3 MET 11 OK 22 100 - 21 - 3.1/4724=4, ~4719=3...(10) HG LEU 64 - HG3 MET 11 OK 20 85 - 23 - 2.1/4724=4, ~4719=3...(10) HG3 ARG 21 - HG3 MET 11 lone 4 90 - 4 - HG2 ARG 61 - HG3 MET 11 lone 2 73 - 3 - HG3 ARG 61 - HG3 MET 11 lone 2 71 - 3 - Peak 4703 from cnoeabs.peaks (0.65, -0.28, 24.60 ppm; 3.78 A): 2 out of 3 assignments used, quality = 0.75: QD1 LEU 43 + QD1 LEU 19 OK 72 100 - 72 - 4479=36, 4478/2.1=36...(6) HB2 ARG 55 + QD1 LEU 19 OK 13 100 - 13 - 3.7/4704=4, 4109/2.1=3...(5) HG2 LYS 27 - QD1 LEU 19 lone 6 81 - 7 - 4109/2.1=2, 4653/4654=1 Peak 4704 from cnoeabs.peaks (1.96, -0.28, 24.60 ppm; 3.99 A): 5 out of 8 assignments used, quality = 0.61: HB2 ARG 21 + QD1 LEU 19 OK 24 97 - 24 - 3.5/4119=7, 4771/2.1=5...(6) HB3 ARG 21 + QD1 LEU 19 OK 22 95 - 24 - 3.5/4119=7, 4771/2.1=4...(6) HD3 ARG 55 + QD1 LEU 19 OK 16 92 - 17 - 3.7/4703=4, 4771/2.1=3...(7) HD3 LYS 22 + QD1 LEU 19 OK 11 100 - 11 - 4771/2.1=4, 4481/4703=3 HB2 ARG 34 + QD1 LEU 19 OK 11 87 - 12 - 4771/2.1=3, 4481/4703=3...(5) HB ILE 50 - QD1 LEU 19 poor 9 83 - 11 - ~4113=2, 4771/2.1=2...(6) HB3 GLU 67 - QD1 LEU 19 lone 4 100 - 4 - 4771/2.1=1 HG2 PRO 32 - QD1 LEU 19 lone 3 71 - 4 - 4771/2.1=1 Peak 4705 from cnoeabs.peaks (0.71, 7.13, 119.60 ppm; 4.89 A): 2 out of 3 assignments used, quality = 0.78: QD1 ILE 17 + HD2 HIS 13 OK 75 95 - 79 - 4082=39, 2.1/4623=36...(5) HB2 LEU 19 + HD2 HIS 13 OK 12 98 - 12 - 3.0/4622=4, 3680/4.0=3 QD1 LEU 41 - HD2 HIS 13 lone 5 94 - 6 - 4011/4622=3 Peak 4706 from cnoeabs.peaks (6.98, 3.11, 30.63 ppm; 4.69 A): 0 out of 1 assignment used, low quality = 0.00: HE3 TRP 51 - HB3 HIS 10 lone 3 99 - 3 - 4.3/4686=2 Peak 4707 from cnoeabs.peaks (1.89, 3.19, 30.63 ppm; 4.66 A): 0 out of 12 assignments used, low quality = 0.43: HB2 GLU 33 - HB3 HIS 36 OK 24 98 - 25 - 3.0/3733=7, ~3733=5...(6) HB2 GLU 33 - HB2 HIS 36 OK 24 98 - 25 - 3.0/3733=7, ~3733=5...(6) HG LEU 41 - HB2 HIS 36 poor 8 71 - 11 - 2114/4.6=4, ~4788=2...(4) HG LEU 41 - HB3 HIS 36 poor 8 71 - 11 - 2114/4.6=4, ~4788=2...(4) HB3 LYS 49 - HB2 HIS 36 lone 5 97 - 6 - ~4368=1 HB3 LYS 49 - HB3 HIS 36 lone 5 97 - 6 - ~4368=1 HB2 LYS 42 - HB3 HIS 36 lone 4 100 - 4 - 4363/4709=1 HB2 LYS 42 - HB2 HIS 36 lone 4 100 - 4 - 4363/4709=1 HB2 GLU 33 - HB2 HIS 10 lone 2 80 - 2 - HB2 LYS 42 - HB2 HIS 10 lone 1 84 - 2 - HB3 LYS 49 - HB2 HIS 10 lone 1 77 - 2 - HG LEU 41 - HB2 HIS 10 lone 1 53 - 2 - Peak 4708 from cnoeabs.peaks (1.69, 3.19, 30.63 ppm; 4.54 A): 5 out of 42 assignments used, quality = 0.93: HD3 LYS 39 + HB2 HIS 36 OK 45 100 - 45 - ~4368=10, 4367/3.0=10...(9) HD2 LYS 39 + HB3 HIS 36 OK 45 100 - 45 - ~4368=10, 4367/3.0=10...(9) HD2 LYS 39 + HB2 HIS 36 OK 45 100 - 45 - ~4368=10, 4367/3.0=10...(9) HD3 LYS 39 + HB3 HIS 36 OK 45 100 - 45 - ~4368=10, 4367/3.0=10...(9) HB2 LEU 37 + HB3 HIS 36 OK 24 60 - 41 - 4.0/152=17, 4.4/4400=9...(7) HB2 LEU 37 - HB2 HIS 36 OK 24 60 - 41 - 4.0/152=17, 4.4/4400=9...(7) HD2 LYS 49 - HB2 HIS 36 OK 12 97 - 12 - 4367/3.0=2, 3.7/4707=2...(7) HD2 LYS 49 - HB3 HIS 36 OK 12 97 - 12 - 4367/3.0=2, 3.7/4707=2...(7) HD3 LYS 49 - HB2 HIS 36 OK 12 98 - 12 - 4367/3.0=2, 3.7/4707=2...(7) HD3 LYS 49 - HB3 HIS 36 OK 12 98 - 12 - 4367/3.0=2, 3.7/4707=2...(7) HG13 ILE 50 - HB3 HIS 36 lone 5 100 - 5 - HG13 ILE 50 - HB2 HIS 36 lone 5 100 - 5 - HD2 LYS 60 - HB2 HIS 36 lone 5 81 - 5 - HD2 LYS 60 - HB3 HIS 36 lone 5 81 - 5 - HD2 LYS 62 - HB3 HIS 36 lone 5 76 - 6 - 4367/3.0=1 HD2 LYS 62 - HB2 HIS 36 lone 5 76 - 6 - 4367/3.0=1 HD3 LYS 62 - HB3 HIS 36 lone 4 73 - 6 - 4367/3.0=1 HD3 LYS 62 - HB2 HIS 36 lone 4 73 - 6 - 4367/3.0=1 HD3 LYS 60 - HB2 HIS 36 lone 4 76 - 5 - HD3 LYS 60 - HB3 HIS 36 lone 4 76 - 5 - HD2 LYS 42 - HB2 HIS 36 lone 4 65 - 6 - 3.8/4707=1, 4366/4.0=1 HD2 LYS 42 - HB3 HIS 36 lone 4 65 - 6 - 3.8/4707=1, 4366/4.0=1 HG3 LYS 22 - HB2 HIS 36 lone 4 92 - 4 - 640/4.6=1 HG3 LYS 22 - HB3 HIS 36 lone 4 92 - 4 - 640/4.6=1 HB2 ARG 56 - HB2 HIS 36 lone 4 63 - 6 - 3.0/1354=1 HB2 ARG 56 - HB3 HIS 36 lone 4 63 - 6 - 3.0/1354=1 HG2 LYS 22 - HB3 HIS 36 lone 3 81 - 4 - HG2 LYS 22 - HB2 HIS 36 lone 3 81 - 4 - HD3 LYS 49 - HB2 HIS 10 lone 1 80 - 2 - HD2 LYS 49 - HB2 HIS 10 lone 1 78 - 2 - HD2 LYS 39 - HB2 HIS 10 lone 1 84 - 2 - HD3 LYS 39 - HB2 HIS 10 lone 1 84 - 2 - HG13 ILE 50 - HB2 HIS 10 lone 1 84 - 1 - HB2 LEU 37 - HB2 HIS 10 lone 1 44 - 3 - HG3 LYS 22 - HB2 HIS 10 lone 1 72 - 1 - HD2 LYS 60 - HB2 HIS 10 lone 1 61 - 1 - HD2 LYS 42 - HB2 HIS 10 lone 1 48 - 2 - HB2 ARG 56 - HB2 HIS 10 lone 1 46 - 2 - HG2 LYS 22 - HB2 HIS 10 lone 1 61 - 1 - HD3 LYS 60 - HB2 HIS 10 lone 1 57 - 1 - HD2 LYS 62 - HB2 HIS 10 lone 1 57 - 1 - HD3 LYS 62 - HB2 HIS 10 lone 1 55 - 1 - Peak 4709 from cnoeabs.peaks (1.50, 3.19, 30.63 ppm; 4.43 A): 2 out of 6 assignments used, quality = 0.85: QB ALA 35 + HB3 HIS 36 OK 61 98 - 62 - 149/4.0=30, 4359=17...(6) QB ALA 35 + HB2 HIS 36 OK 61 98 - 62 - 149/4.0=30, 4359=17...(6) QB ALA 35 - HB2 HIS 10 lone 2 80 - 2 - HG LEU 43 - HB2 HIS 36 lone 2 73 - 2 - HG LEU 43 - HB3 HIS 36 lone 2 73 - 2 - HG LEU 43 - HB2 HIS 10 lone 1 55 - 2 - Peak 4710 from cnoeabs.peaks (4.06, 7.05, 119.84 ppm; 5.29 A): 0 out of 16 assignments used, low quality = 0.45: HA LYS 39 - HD2 HIS 36 OK 20 72 - 28 - 3733/4.0=11, 3733/4.0=11 HA LEU 37 - HD2 HIS 36 OK 17 98 - 17 - 985/5.9=6, 3734/4.0=5 HA GLU 33 - HD2 HIS 36 OK 16 91 - 18 - 3733/4.0=6, 3733/4.0=6 HA ARG 21 - HD2 HIS 36 lone 9 92 - 9 - 1354/4.0=3, 1354/4.0=3 HA SER 24 - HD2 HIS 36 lone 5 81 - 6 - 4178=3 HA ARG 56 - HD2 HIS 36 lone 4 77 - 6 - 1354/4.0=1, 1354/4.0=1 HB THR 46 - HD2 HIS 36 lone 4 98 - 4 - HB THR 14 - HD2 HIS 36 lone 3 90 - 3 - HA LEU 37 - HD2 HIS 10 lone 1 48 - 2 - HA ARG 21 - HD2 HIS 10 lone 1 42 - 3 - HA SER 24 - HD2 HIS 10 lone 1 35 - 3 - HB THR 46 - HD2 HIS 10 lone 1 48 - 2 - HA GLU 33 - HD2 HIS 10 lone 1 41 - 3 - HB THR 14 - HD2 HIS 10 lone 1 41 - 2 - HA ARG 56 - HD2 HIS 10 lone 1 33 - 3 - HA LYS 39 - HD2 HIS 10 lone 1 30 - 2 - Peak 4711 from cnoeabs.peaks (1.62, 2.00, 34.98 ppm; 4.27 A): 4 out of 11 assignments used, quality = 0.95: HB3 GLN 15 + HB2 MET 11 OK 67 96 - 70 - 4014/4.3=20, 3.0/4822=19...(11) HB3 LEU 43 + HB2 MET 11 OK 59 87 - 68 - ~4720=12, ~4725=11...(16) HG LEU 68 + HB2 MET 11 OK 39 99 - 40 - 2.1/4713=7, 2.1/4713=7...(12) HB3 LEU 68 + HB2 MET 11 OK 36 97 - 37 - 3.1/4713=6, 3.1/4713=6...(12) HB2 LEU 68 - HB2 MET 11 OK 34 92 - 37 - 3.1/4713=6, 3.1/4713=6...(12) HB2 LEU 41 - HB2 MET 11 OK 18 100 - 18 - ~4443=4, 4714/1.8=2...(8) HB3 LEU 64 - HB2 MET 11 OK 16 100 - 15 - 3.1/4713=2, 4714/1.8=2...(8) HG LEU 64 - HB2 MET 11 OK 15 87 - 17 - 2.1/4713=3, 4714/1.8=2...(8) HG3 ARG 21 - HB2 MET 11 lone 3 89 - 3 - HG2 ARG 61 - HB2 MET 11 lone 1 71 - 2 - HG3 ARG 61 - HB2 MET 11 lone 1 68 - 2 - Peak 4712 from cnoeabs.peaks (1.01, 2.00, 34.98 ppm; 3.66 A): 2 out of 3 assignments used, quality = 0.82: QG2 VAL 16 + HB2 MET 11 OK 61 100 - 61 - 4715/1.8=19, 4.0/4729=15...(10) QG1 VAL 16 + HB2 MET 11 OK 52 85 - 62 - 4715/1.8=15, 4.0/4729=15...(10) QG1 VAL 48 - HB2 MET 11 lone 8 89 - 8 - 4715/1.8=3, 4723/3.0=2 Peak 4713 from cnoeabs.peaks (0.86, 2.00, 34.98 ppm; 5.08 A): 3 out of 4 assignments used, quality = 0.97: QD2 LEU 43 + HB2 MET 11 OK 85 100 - 85 - ~4720=22, ~4725=21...(16) QD2 LEU 68 + HB2 MET 11 OK 56 100 - 56 - 4719/3.0=10, 4724/3.0=10...(12) QD1 LEU 68 + HB2 MET 11 OK 56 100 - 56 - 4719/3.0=10, 4716/1.8=10...(12) QD2 LEU 64 - HB2 MET 11 OK 21 99 - 20 - 4719/3.0=4, 4724/3.0=4...(8) Peak 4714 from cnoeabs.peaks (1.63, 1.83, 34.98 ppm; 4.90 A): 5 out of 10 assignments used, quality = 0.98: HB3 GLN 15 + HB3 MET 11 OK 74 99 - 75 - 4014/4.3=28, ~4822=17...(12) HB3 LEU 43 + HB3 MET 11 OK 62 76 - 82 - ~4720=16, ~4725=16...(17) HG LEU 68 + HB3 MET 11 OK 47 97 - 49 - 2.1/4716=9, 2.1/4716=9...(12) HB3 LEU 68 + HB3 MET 11 OK 46 100 - 47 - 3.1/4716=8, 3.1/4716=8...(12) HB2 LEU 68 + HB3 MET 11 OK 45 97 - 46 - 3.1/4716=8, 3.1/4716=8...(12) HB2 LEU 41 - HB3 MET 11 OK 23 98 - 24 - ~4443=5, 4711/1.8=3...(10) HG LEU 64 - HB3 MET 11 OK 21 95 - 22 - 2.1/4716=3, ~4713=3...(11) HB3 LEU 64 - HB3 MET 11 OK 20 98 - 20 - 3.1/4716=3, 4711/1.8=3...(11) HG3 ARG 21 - HB3 MET 11 lone 4 78 - 4 - HG2 ARG 61 - HB3 MET 11 lone 2 57 - 3 - Peak 4715 from cnoeabs.peaks (1.01, 1.83, 34.98 ppm; 3.65 A): 2 out of 3 assignments used, quality = 0.83: QG2 VAL 16 + HB3 MET 11 OK 64 100 - 64 - 4712/1.8=18, 4065=16...(11) QG1 VAL 16 + HB3 MET 11 OK 53 85 - 62 - 4712/1.8=16, 2.1/4065=11...(12) QG1 VAL 48 - HB3 MET 11 lone 9 89 - 10 - 4712/1.8=2, 4723/3.0=2...(5) Peak 4716 from cnoeabs.peaks (0.86, 1.83, 34.98 ppm; 5.22 A): 3 out of 4 assignments used, quality = 0.98: QD2 LEU 43 + HB3 MET 11 OK 87 98 - 89 - ~4720=23, ~4725=22...(17) QD1 LEU 68 + HB3 MET 11 OK 57 100 - 57 - 4713/1.8=11, 4719/3.0=10...(12) QD2 LEU 68 + HB3 MET 11 OK 57 100 - 57 - 4713/1.8=11, 4719/3.0=10...(12) QD2 LEU 64 - HB3 MET 11 OK 20 92 - 21 - 4713/1.8=4, 4719/3.0=3...(8) Peak 4717 from cnoeabs.peaks (1.63, 2.39, 32.80 ppm; 4.66 A): 5 out of 9 assignments used, quality = 0.96: HB3 GLN 15 + HG2 MET 11 OK 53 100 - 53 - ~4822=11, 4014/4735=10...(10) HB3 LEU 43 + HG2 MET 11 OK 51 65 - 79 - 3.1/4720=27, ~4725=19...(15) HB3 LEU 68 + HG2 MET 11 OK 44 100 - 44 - 3.1/4719=9, 3.1/4719=9...(11) HB2 LEU 68 + HG2 MET 11 OK 44 99 - 44 - 3.1/4719=9, 3.1/4719=9...(11) HG LEU 68 + HG2 MET 11 OK 43 92 - 47 - 2.1/4719=11, 2.1/4719=11...(11) HB2 LEU 41 - HG2 MET 11 OK 23 95 - 25 - ~4443=6, 3.1/4449=4...(9) HG LEU 64 - HG2 MET 11 OK 20 98 - 19 - 2.1/4719=4, ~4724=3...(10) HB3 LEU 64 - HG2 MET 11 OK 18 95 - 18 - 3.1/4719=3, ~4724=2...(9) HG3 ARG 21 - HG2 MET 11 lone 2 68 - 3 - Peak 4718 from cnoeabs.peaks (1.02, 2.39, 32.80 ppm; 4.37 A): 3 out of 3 assignments used, quality = 0.91: QG2 VAL 16 + HG2 MET 11 OK 70 100 - 71 - 4715/3.0=19, 4712/3.0=19...(9) QG1 VAL 16 + HG2 MET 11 OK 66 92 - 72 - 4712/3.0=16, 4715/3.0=16...(10) QG1 VAL 48 + HG2 MET 11 OK 11 81 - 13 - 4723/1.8=4, 4715/3.0=3...(5) Peak 4719 from cnoeabs.peaks (0.85, 2.39, 32.80 ppm; 3.63 A): 4 out of 4 assignments used, quality = 0.89: QD2 LEU 43 + HG2 MET 11 OK 71 100 - 71 - 4492=18, 2.1/4720=18...(18) QD2 LEU 68 + HG2 MET 11 OK 35 99 - 35 - 4724/1.8=8, ~4724=5...(13) QD1 LEU 68 + HG2 MET 11 OK 34 98 - 35 - 4724/1.8=7, ~4724=5...(13) QD2 LEU 64 + HG2 MET 11 OK 12 100 - 12 - 4724/1.8=3, 4713/3.0=2...(5) Peak 4720 from cnoeabs.peaks (0.65, 2.39, 32.80 ppm; 4.87 A): 1 out of 3 assignments used, quality = 0.81: QD1 LEU 43 + HG2 MET 11 OK 81 100 - 82 - 4725/1.8=35, 2.1/4719=22...(16) HB2 ARG 55 - HG2 MET 11 lone 7 100 - 7 - 4725/1.8=3 HG2 LYS 27 - HG2 MET 11 lone 3 83 - 3 - 4725/1.8=1 Peak 4721 from cnoeabs.peaks (1.97, 2.48, 32.80 ppm; 3.49 A): 1 out of 1 assignment used, quality = 0.78: HB2 MET 11 + HG3 MET 11 OK 78 78 - 100 - 3.0=100 Peak 4722 from cnoeabs.peaks (1.83, 2.48, 32.80 ppm; 3.65 A): 1 out of 1 assignment used, quality = 1.00: HB3 MET 11 + HG3 MET 11 OK 100 100 - 100 - 3.0=100 Peak 4723 from cnoeabs.peaks (1.01, 2.48, 32.80 ppm; 4.45 A): 3 out of 3 assignments used, quality = 0.92: QG2 VAL 16 + HG3 MET 11 OK 76 100 - 76 - 4715/3.0=19, 4712/3.0=19...(11) QG1 VAL 16 + HG3 MET 11 OK 63 85 - 74 - 4718/1.8=18, 4712/3.0=17...(11) QG1 VAL 48 + HG3 MET 11 OK 15 89 - 16 - 4.0/4732=5, 4718/1.8=3...(5) Peak 4724 from cnoeabs.peaks (0.85, 2.48, 32.80 ppm; 3.93 A): 4 out of 4 assignments used, quality = 0.91: QD2 LEU 43 + HG3 MET 11 OK 73 100 - 74 - 2.1/4725=21, 4719/1.8=19...(16) QD2 LEU 68 + HG3 MET 11 OK 38 98 - 39 - 4719/1.8=9, ~4719=6...(12) QD1 LEU 68 + HG3 MET 11 OK 37 96 - 39 - 4719/1.8=9, ~4719=6...(12) QD2 LEU 64 + HG3 MET 11 OK 13 100 - 13 - 4719/1.8=3, 4713/3.0=2...(6) Peak 4725 from cnoeabs.peaks (0.65, 2.48, 32.80 ppm; 4.93 A): 1 out of 3 assignments used, quality = 0.85: QD1 LEU 43 + HG3 MET 11 OK 85 100 - 86 - 4720/1.8=36, 2.1/4724=21...(17) HB2 ARG 55 - HG3 MET 11 lone 8 100 - 8 - 4720/1.8=3, 4.0/275=2 HG2 LYS 27 - HG3 MET 11 lone 3 83 - 3 - 4720/1.8=1 Peak 4726 from cnoeabs.peaks (2.49, 2.00, 34.98 ppm; 3.62 A): 1 out of 1 assignment used, quality = 0.99: HG3 MET 11 + HB2 MET 11 OK 99 99 - 100 - 3.0=100 Peak 4727 from cnoeabs.peaks (2.50, 1.83, 34.98 ppm; 3.67 A): 1 out of 1 assignment used, quality = 0.92: HG3 MET 11 + HB3 MET 11 OK 92 92 - 100 - 3.0=100 Peak 4728 from cnoeabs.peaks (4.67, 2.48, 32.80 ppm; 3.76 A): 2 out of 4 assignments used, quality = 0.93: HA MET 11 + HG3 MET 11 OK 92 96 - 97 - 3.8=93, 1100/1.8=31...(5) HA HIS 10 + HG3 MET 11 OK 11 90 - 12 - 3.6/5=10 HA THR 44 - HG3 MET 11 poor 9 87 - 10 - 1100/1.8=3, 4847/4724=2...(4) HA HIS 25 - HG3 MET 11 lone 1 63 - 2 - Peak 4729 from cnoeabs.peaks (7.83, 2.00, 34.98 ppm; 4.98 A): 1 out of 1 assignment used, quality = 0.69: H VAL 16 + HB2 MET 11 OK 69 99 - 70 - 4.0/4712=19, 4.0/4712=16...(10) Peak 4730 from cnoeabs.peaks (6.92, 2.39, 32.80 ppm; 5.16 A): 1 out of 4 assignments used, quality = 0.50: HE21 GLN 47 + HG2 MET 11 OK 50 93 - 54 - 1.7/4733=31, ~4732=19...(6) HD22 ASN 54 - HG2 MET 11 lone 3 92 - 3 - HZ PHE 23 - HG2 MET 11 lone 3 71 - 4 - 4658/4720=1 HE21 GLN 53 - HG2 MET 11 lone 2 97 - 2 - Peak 4731 from cnoeabs.peaks (8.24, 2.48, 32.80 ppm; 4.97 A): 1 out of 1 assignment used, quality = 0.97: H MET 11 + HG3 MET 11 OK 97 97 - 100 - 4.8=100 Peak 4732 from cnoeabs.peaks (7.68, 2.48, 32.80 ppm; 5.26 A): 2 out of 4 assignments used, quality = 0.53: HE22 GLN 47 + HG3 MET 11 OK 44 96 - 46 - ~4730=28, 4733/1.8=10...(4) H VAL 48 + HG3 MET 11 OK 16 100 - 16 - 224/1.8=4, 222/3.0=4...(4) H LYS 58 - HG3 MET 11 lone 7 100 - 7 - 4.6/4714=5 H LYS 39 - HG3 MET 11 lone 4 100 - 4 - Peak 4733 from cnoeabs.peaks (7.65, 2.39, 32.80 ppm; 5.38 A): 1 out of 4 assignments used, quality = 0.46: HE22 GLN 47 + HG2 MET 11 OK 46 87 - 53 - 1.7/4730=37, 446/3.0=8...(6) H LYS 39 - HG2 MET 11 lone 4 71 - 6 - 3.6/4410=2 HE22 GLN 26 - HG2 MET 11 lone 4 100 - 4 - H HIS 25 - HG2 MET 11 lone 3 93 - 3 - Peak 4734 from cnoeabs.peaks (8.24, 2.39, 32.80 ppm; 4.84 A): 1 out of 1 assignment used, quality = 0.97: H MET 11 + HG2 MET 11 OK 97 97 - 100 - 4.8=100 Peak 4735 from cnoeabs.peaks (9.37, 2.39, 32.80 ppm; 5.08 A): 1 out of 1 assignment used, quality = 0.78: H SER 12 + HG2 MET 11 OK 78 93 - 84 - 4736/1.8=37, 3.6/1100=37...(5) Peak 4736 from cnoeabs.peaks (9.37, 2.48, 32.80 ppm; 5.32 A): 1 out of 1 assignment used, quality = 0.85: H SER 12 + HG3 MET 11 OK 85 97 - 87 - 4735/1.8=43, 3350/3.0=41...(9) Peak 4740 from cnoeabs.peaks (2.50, 3.95, 65.53 ppm; 4.97 A): 3 out of 4 assignments used, quality = 0.90: HB2 GLN 15 + HB3 SER 12 OK 64 99 - 65 - 4013/3.9=31, 4.0/4803=18...(6) HG3 GLN 15 + HB3 SER 12 OK 58 97 - 60 - 4015/3.9=28, 5.0/4803=16...(6) HG3 MET 11 + HB3 SER 12 OK 33 96 - 34 - 4736/3.9=25, 4804/1.8=6...(4) HB2 ASN 54 - HB3 SER 12 lone 4 81 - 5 - 3.4/4803=1 Peak 4741 from cnoeabs.peaks (7.92, 4.37, 65.53 ppm; 4.30 A): 0 out of 6 assignments used, low quality = 0.30: H THR 14 - HB2 SER 12 OK 30 100 - 30 - 4743/1.8=22, 4.6/924=7...(4) H LYS 42 - HB2 SER 12 lone 7 95 - 7 - 4743/1.8=5 H GLY 69 - HB2 SER 12 lone 5 89 - 6 - 4743/1.8=4 H THR 14 - HA PRO 32 lone 3 73 - 4 - 4.6/924=2, 923/930=1 H GLY 69 - HA PRO 32 lone 1 58 - 2 - H LYS 42 - HA PRO 32 lone 1 64 - 2 - Peak 4743 from cnoeabs.peaks (7.91, 3.95, 65.53 ppm; 4.96 A): 0 out of 3 assignments used, low quality = 0.43: H THR 14 - HB3 SER 12 OK 43 100 - 44 - 4741/1.8=29, 4.6/4803=17...(4) H LYS 42 - HB3 SER 12 lone 9 98 - 9 - 4741/1.8=7 H GLY 69 - HB3 SER 12 lone 7 95 - 7 - 4741/1.8=5 Peak 4744 from cnoeabs.peaks (1.02, 4.38, 59.74 ppm; 3.58 A): 2 out of 3 assignments used, quality = 0.81: QG2 VAL 16 + HA HIS 13 OK 59 99 - 59 - 2.1/3662=28, 4.0/3661=17...(7) QG1 VAL 16 + HA HIS 13 OK 54 93 - 58 - 2.1/3662=28, 4.0/3661=17...(6) QG1 VAL 48 - HA HIS 13 lone 2 78 - 2 - Peak 4745 from cnoeabs.peaks (7.12, 1.21, 21.82 ppm; 4.93 A): 2 out of 4 assignments used, quality = 0.65: HD2 HIS 13 + QG2 THR 14 OK 43 100 - 43 - 4622=35, 4624/4079=11 QD TYR 28 + QG2 THR 14 OK 38 100 - 38 - 2.2/4672=34, 4662/4.0=3 HD1 TRP 51 - QG2 THR 14 lone 2 87 - 3 - QD TYR 57 - QG2 THR 14 lone 2 78 - 2 - Peak 4746 from cnoeabs.peaks (7.53, 3.15, 39.32 ppm; 4.88 A): 2 out of 4 assignments used, quality = 0.92: QE PHE 52 + HB2 PHE 23 OK 91 100 - 91 - 4700/2.4=42, 4703/2.9=40...(8) H GLU 18 + HB2 PHE 23 OK 20 85 - 23 - 4747/1.8=6, 4630/2.4=5...(7) HE21 GLN 63 - HB2 PHE 23 lone 9 100 - 9 - 4747/1.8=3, 4630/2.4=2 H GLN 15 - HB2 PHE 23 lone 2 68 - 2 - Peak 4747 from cnoeabs.peaks (7.54, 3.08, 39.32 ppm; 5.30 A): 3 out of 4 assignments used, quality = 0.95: QE PHE 52 + HB3 PHE 23 OK 93 99 - 94 - 4700/2.4=44, 4703/2.9=43...(8) H GLU 18 + HB3 PHE 23 OK 24 92 - 26 - 4746/1.8=7, 4630/2.4=5...(7) HE21 GLN 63 + HB3 PHE 23 OK 11 100 - 10 - 4746/1.8=4, 4630/2.4=2 H TYR 57 - HB3 PHE 23 poor 10 65 - 15 - 4634/4.4=9, 4.5/297=2...(4) Peak 4749 from cnoeabs.peaks (0.52, 3.50, 29.17 ppm; 5.37 A): 1 out of 1 assignment used, quality = 0.73: QD2 LEU 19 + HB2 TRP 51 OK 73 87 - 84 - 4114=40, 2.1/4750=19...(11) Peak 4750 from cnoeabs.peaks (-0.28, 3.50, 29.17 ppm; 4.81 A): 3 out of 3 assignments used, quality = 0.94: QD1 LEU 19 + HB2 TRP 51 OK 77 100 - 77 - 2.1/4114=38, 4751/1.8=18...(11) HG2 ARG 55 + HB2 TRP 51 OK 50 100 - 50 - 4751/1.8=11, 4679/3.9=11...(10) HB3 ARG 55 + HB2 TRP 51 OK 49 100 - 49 - 4679/3.9=10, 4751/1.8=10...(10) Peak 4751 from cnoeabs.peaks (-0.28, 3.29, 29.17 ppm; 4.89 A): 3 out of 3 assignments used, quality = 0.94: QD1 LEU 19 + HB3 TRP 51 OK 80 100 - 80 - ~4114=29, ~4749=25...(11) HG2 ARG 55 + HB3 TRP 51 OK 50 100 - 51 - 4750/1.8=12, 4679/3.9=11...(10) HB3 ARG 55 + HB3 TRP 51 OK 44 100 - 44 - 4750/1.8=11, 4679/3.9=10...(8) Peak 4752 from cnoeabs.peaks (-0.29, 7.14, 127.21 ppm; 5.27 A): 3 out of 3 assignments used, quality = 0.97: QD1 LEU 19 + HD1 TRP 51 OK 79 98 - 81 - 4827=30, 2.1/4719=30...(12) HG2 ARG 55 + HD1 TRP 51 OK 63 99 - 64 - 3.0/4677=17, 4753/2.6=13...(11) HB3 ARG 55 + HD1 TRP 51 OK 57 97 - 58 - 3.7/4677=16, 4753/2.6=11...(11) Peak 4756 from cnoeabs.peaks (0.71, 7.25, 114.23 ppm; 5.42 A): 3 out of 3 assignments used, quality = 0.72: HB2 LEU 19 + HZ2 TRP 51 OK 59 98 - 60 - 4.4/4125=31, 3.1/4695=13...(7) QD1 ILE 17 + HZ2 TRP 51 OK 19 95 - 20 - 4063/4043=6, 3679/4727=4...(5) QD1 LEU 41 + HZ2 TRP 51 OK 15 94 - 16 - 47/4125=4, 4817/4695=3...(4) Peak 4757 from cnoeabs.peaks (-0.28, 7.25, 114.23 ppm; 5.26 A): 3 out of 3 assignments used, quality = 0.98: HG2 ARG 55 + HZ2 TRP 51 OK 76 98 - 77 - 3.0/4836=32, 4696/2.5=17...(15) QD1 LEU 19 + HZ2 TRP 51 OK 74 98 - 76 - 3.1/4694=23, 4696/2.5=16...(13) HB3 ARG 55 + HZ2 TRP 51 OK 68 97 - 70 - 3.7/4836=29, 4696/2.5=13...(13) Peak 4759 from cnoeabs.peaks (2.42, 3.43, 56.09 ppm; 3.70 A): 1 out of 6 assignments used, quality = 0.60: HD2 ARG 55 + HA ARG 55 OK 60 95 - 63 - 5.0=40, 1.8/2730=25...(5) HG3 GLN 47 - HA ARG 55 lone 9 89 - 10 - 3.0/3839=3, 3.4/3838=2...(4) HG3 GLU 20 - HA ARG 55 lone 2 100 - 2 - HG3 GLU 18 - HA ARG 55 lone 2 95 - 2 - HG2 GLU 45 - HA ARG 55 lone 1 78 - 1 - HG2 GLN 53 - HA ARG 55 lone 1 87 - 1 - Peak 4760 from cnoeabs.peaks (0.67, -0.44, 23.54 ppm; 5.61 A): 1 out of 1 assignment used, quality = 0.89: HB2 ARG 55 + HG3 ARG 55 OK 89 89 - 100 - 3.0=100 Peak 4763 from cnoeabs.peaks (0.99, 3.69, 64.32 ppm; 4.65 A): 1 out of 3 assignments used, quality = 0.58: QG2 VAL 16 + HA ILE 17 OK 58 68 - 85 - 2.1/4051=38, ~3366=16...(15) QG1 VAL 48 - HA ILE 17 lone 10 97 - 10 - 2.1/3686=3, 4105/943=3, 30/3.0=1 QD1 LEU 37 - HA ILE 17 lone 6 71 - 9 - ~4814=2, 4377/1210=2...(4) Peak 4764 from cnoeabs.peaks (1.02, 2.41, 35.25 ppm; 4.24 A): 4 out of 9 assignments used, quality = 0.70: QG1 VAL 16 + HG3 GLU 20 OK 40 62 - 64 - 4059/1.8=25, 4058=17...(11) QG2 VAL 16 + HG3 GLU 20 OK 35 61 - 58 - ~4059=17, 4124/1.8=17...(10) QG1 VAL 16 + HG3 GLU 18 OK 14 98 - 15 - 4058=5, 4.3/3379=3...(4) QG2 VAL 16 + HG3 GLU 18 OK 11 97 - 12 - 2.1/4058=4, 4.3/3379=3...(4) QG1 VAL 48 - HG3 GLU 18 poor 8 65 - 12 - ~4805=7, ~4770=2 QG1 VAL 48 - HG3 GLN 47 poor 7 32 - 22 - ~4552=9, 4.0/224=8...(5) QG1 VAL 16 - HG3 GLN 47 lone 3 56 - 6 - 4058=2 QG2 VAL 16 - HG3 GLN 47 lone 3 54 - 5 - 2.1/4058=1 QG1 VAL 48 - HG3 GLU 20 lone 2 36 - 4 - 4124/1.8=1 Peak 4765 from cnoeabs.peaks (0.71, 1.01, 23.28 ppm; 5.78 A): 2 out of 6 assignments used, quality = 1.00: HB2 LEU 19 + QG2 VAL 16 OK 98 100 - 98 - 1.8/4767=35, ~3681=30...(21) QD1 ILE 17 + QG2 VAL 16 OK 79 98 - 81 - 4083/4.0=34, 525/4.3=22...(12) HB2 LEU 19 - QG1 VAL 48 OK 43 51 - 84 - ~4579=25, 3.1/4825=21...(13) QD1 LEU 41 - QG2 VAL 16 OK 37 97 - 38 - 4816/4825=11, 3679/3.2=7...(9) QD1 LEU 41 - QG1 VAL 48 OK 32 47 - 69 - ~4459=16, ~4460=15...(13) QD1 ILE 17 - QG1 VAL 48 lone 5 48 - 10 - 4.2/4763=3, 5.0/30=2, 534/4105=1 Peak 4766 from cnoeabs.peaks (-0.28, 1.01, 23.28 ppm; 4.23 A): 3 out of 6 assignments used, quality = 0.95: QD1 LEU 19 + QG2 VAL 16 OK 87 100 - 87 - 2.1/4825=23, 4769/3.2=21...(20) HG2 ARG 55 + QG2 VAL 16 OK 41 99 - 42 - 4768/2.1=8, 3.0/4064=7...(11) QD1 LEU 19 + QG1 VAL 48 OK 35 51 - 70 - 2.1/4825=20, ~4579=16...(11) HB3 ARG 55 - QG2 VAL 16 OK 33 100 - 33 - 4768/2.1=7, 3.7/4064=6...(9) HB3 ARG 55 - QG1 VAL 48 poor 7 51 - 14 - 4580/3.2=4, ~4578=3...(4) HG2 ARG 55 - QG1 VAL 48 poor 7 49 - 14 - 4580/3.2=4, ~4580=2...(6) Peak 4767 from cnoeabs.peaks (-0.74, 1.01, 23.28 ppm; 5.00 A): 2 out of 2 assignments used, quality = 0.91: HB3 LEU 19 + QG2 VAL 16 OK 87 95 - 92 - 3681/3.2=27, 3.1/4825=23...(18) HB3 LEU 19 + QG1 VAL 48 OK 32 44 - 72 - 3.1/4825=20, ~4579=19...(12) Peak 4768 from cnoeabs.peaks (-0.28, 1.03, 21.88 ppm; 4.66 A): 3 out of 3 assignments used, quality = 0.96: QD1 LEU 19 + QG1 VAL 16 OK 88 100 - 88 - 4769/3.2=24, ~4825=19...(19) HG2 ARG 55 + QG1 VAL 16 OK 47 99 - 48 - 3.0/4060=10, 4769/3.2=8...(12) HB3 ARG 55 + QG1 VAL 16 OK 40 100 - 40 - 3.7/4060=9, 3.7/4058=7...(9) Peak 4769 from cnoeabs.peaks (-0.28, 3.23, 67.30 ppm; 3.78 A): 3 out of 3 assignments used, quality = 0.85: QD1 LEU 19 + HA VAL 16 OK 76 100 - 76 - 4119=22, 3.1/3681=17...(15) HG2 ARG 55 + HA VAL 16 OK 26 100 - 26 - 4768/3.2=6, 4766/3.2=5...(11) HB3 ARG 55 + HA VAL 16 OK 17 100 - 17 - 4768/3.2=5, 4766/3.2=4...(6) Peak 4770 from cnoeabs.peaks (0.94, 2.00, 29.57 ppm; 5.04 A): 6 out of 12 assignments used, quality = 0.87: QD1 LEU 37 + HB3 GLU 18 OK 38 85 - 45 - 4805/3.0=20, 4791=11...(6) QD1 LEU 37 + HB2 GLU 18 OK 38 85 - 45 - 4805/3.0=20, 4791=11...(6) QD2 LEU 37 + HB3 GLU 18 OK 28 68 - 41 - ~4805=14, 2.1/4791=13...(6) QD2 LEU 37 + HB2 GLU 18 OK 28 68 - 41 - ~4805=14, 2.1/4791=13...(6) QG2 VAL 48 + HB2 GLU 18 OK 21 99 - 21 - 4805/3.0=11, 4459/4451=2...(5) QG2 VAL 48 + HB3 GLU 18 OK 21 99 - 21 - 4805/3.0=11, 4459/4451=2...(5) QG2 ILE 50 - HB2 GLU 18 lone 6 57 - 10 - ~4087=3, ~4096=1, ~4601=1 QG2 ILE 50 - HB3 GLU 18 lone 6 57 - 10 - ~4087=3, ~4096=1, ~4601=1 QD1 LEU 37 - HB3 GLN 63 lone 5 70 - 7 - ~4693=2, 4791=2 QD2 LEU 37 - HB3 GLN 63 lone 4 55 - 7 - ~4693=2, 2.1/4791=2 QG2 VAL 48 - HB3 GLN 63 lone 3 86 - 3 - QG2 ILE 50 - HB3 GLN 63 lone 2 46 - 3 - Peak 4771 from cnoeabs.peaks (1.97, 0.53, 23.51 ppm; 5.07 A): 6 out of 8 assignments used, quality = 0.83: HB2 ARG 21 + QD2 LEU 19 OK 35 100 - 35 - 4704/2.1=11, ~4704=8...(11) HB3 ARG 21 + QD2 LEU 19 OK 35 100 - 35 - 4704/2.1=10, ~4704=9...(11) HD3 LYS 22 + QD2 LEU 19 OK 28 100 - 28 - 4704/2.1=5, 4481/4478=5...(10) HD3 ARG 55 + QD2 LEU 19 OK 22 99 - 22 - 4704/2.1=7, 4677/4719=5...(6) HB2 ARG 34 + QD2 LEU 19 OK 20 65 - 31 - 4325/4826=7, 3.0/4116=6...(7) HB ILE 50 + QD2 LEU 19 OK 12 60 - 20 - 3.0/4113=6, 4704/2.1=4...(6) HG2 PRO 32 - QD2 LEU 19 poor 9 90 - 10 - 4297/4381=3, 4704/2.1=1 HB3 GLU 67 - QD2 LEU 19 lone 8 99 - 8 - 4704/2.1=2, 4.0/3384=2 Peak 4772 from cnoeabs.peaks (1.99, 1.24, 25.70 ppm; 5.25 A): 4 out of 10 assignments used, quality = 0.81: HB3 GLU 18 + HG LEU 19 OK 43 100 - 43 - 4.3/536=35, ~4088=4...(4) HB2 GLU 18 + HG LEU 19 OK 43 100 - 43 - 4.3/536=35, ~4088=4...(4) HB3 ARG 21 + HG LEU 19 OK 24 71 - 35 - ~4704=9, ~4771=6...(8) HB2 ARG 21 + HG LEU 19 OK 21 63 - 34 - ~4704=9, ~4771=6...(8) HD3 ARG 55 - HG LEU 19 poor 8 76 - 10 - 3.7/4109=4, 4771/2.1=2, 42/5.2=1 HG2 PRO 32 - HG LEU 19 lone 5 95 - 5 - 2.3/4296=1 HB2 MET 11 - HG LEU 19 lone 3 100 - 3 - 42/5.2=1 HB3 GLN 63 - HG LEU 19 lone 3 100 - 3 - HB2 GLN 26 - HG LEU 19 lone 2 63 - 4 - 4.7/592=1 HB3 GLN 26 - HG LEU 19 lone 2 63 - 4 - 4.7/592=1 Peak 4773 from cnoeabs.peaks (6.44, 2.42, 35.40 ppm; 5.22 A): 1 out of 2 assignments used, quality = 0.97: HH2 TRP 51 + HG3 GLU 20 OK 97 100 - 97 - 4131/4.1=40, 4692/3.0=36...(9) HH2 TRP 51 - HG3 GLU 18 OK 34 66 - 52 - 4693/3.0=16, 4693/3.0=16...(9) Peak 4774 from cnoeabs.peaks (6.45, 2.46, 35.40 ppm; 5.51 A): 1 out of 1 assignment used, quality = 0.95: HH2 TRP 51 + HG2 GLU 20 OK 95 98 - 97 - 2.5/4132=46, 4131/4.1=40...(10) Peak 4775 from cnoeabs.peaks (5.71, 4.22, 59.07 ppm; 4.83 A): 1 out of 1 assignment used, quality = 0.83: HZ3 TRP 51 + HA GLU 20 OK 83 97 - 86 - 2.4/4131=48, 4.3/4684=27...(8) Peak 4776 from cnoeabs.peaks (0.17, 2.38, 30.62 ppm; 5.30 A): 1 out of 1 assignment used, quality = 0.69: QD1 LEU 29 + HB3 LYS 22 OK 69 78 - 88 - ~4155=30, ~4153=29...(11) Peak 4777 from cnoeabs.peaks (0.94, 2.80, 42.08 ppm; 4.10 A): 4 out of 4 assignments used, quality = 0.91: QD2 LEU 37 + HE2 LYS 22 OK 57 78 - 73 - 4779/1.8=15, 4386=12...(15) QD1 LEU 37 + HE2 LYS 22 OK 47 76 - 62 - 2.1/4386=16, ~4779=10...(11) QG2 VAL 48 + HE2 LYS 22 OK 45 96 - 47 - 4779/1.8=9, 4156/3.0=8...(13) QG2 ILE 50 + HE2 LYS 22 OK 28 68 - 41 - 4779/1.8=8, 4156/3.0=7...(11) Peak 4778 from cnoeabs.peaks (0.45, 2.80, 42.08 ppm; 3.76 A): 1 out of 1 assignment used, quality = 0.84: QD2 LEU 29 + HE2 LYS 22 OK 84 99 - 85 - 4244=38, 4811/1.8=31...(10) Peak 4779 from cnoeabs.peaks (0.93, 2.95, 42.08 ppm; 4.39 A): 3 out of 4 assignments used, quality = 0.91: QD2 LEU 37 + HE3 LYS 22 OK 73 93 - 78 - 4386/1.8=19, 4156/3.0=13...(15) QG2 VAL 48 + HE3 LYS 22 OK 44 83 - 53 - 4777/1.8=10, 4156/3.0=9...(13) QG2 ILE 50 + HE3 LYS 22 OK 39 87 - 45 - 4156/3.0=8, 4152/3.7=7...(11) QD1 LEU 64 - HE3 LYS 22 lone 6 68 - 9 - 4156/3.0=1, 4154/3.7=1...(5) Peak 4780 from cnoeabs.peaks (0.93, 2.94, 42.08 ppm; 4.58 A): 3 out of 4 assignments used, quality = 0.83: QD2 LEU 37 + HE3 LYS 22 OK 60 76 - 79 - 4386/1.8=21, 4156/3.0=14...(15) QG2 VAL 48 + HE3 LYS 22 OK 37 66 - 56 - 4777/1.8=11, 4156/3.0=10...(13) QG2 ILE 50 + HE3 LYS 22 OK 32 70 - 46 - 4156/3.0=8, 4152/3.7=8...(10) QD1 LEU 64 - HE3 LYS 22 lone 5 53 - 9 - 4156/3.0=1, 4154/3.7=1...(5) Peak 4781 from cnoeabs.peaks (7.52, 2.02, 31.80 ppm; 4.44 A): 6 out of 15 assignments used, quality = 0.94: H TYR 28 + HB3 GLN 26 OK 60 92 - 66 - 4213/3.0=25, 879/4.7=18...(7) H TYR 28 + HB2 GLN 26 OK 60 92 - 66 - 4213/3.0=25, 879/4.7=18...(7) QE PHE 52 + HB3 GLN 26 OK 27 97 - 28 - ~4859=6, 4724/4193=5...(7) QE PHE 52 + HB2 GLN 26 OK 27 97 - 28 - ~4859=6, 4724/4193=5...(7) H GLN 15 + HB3 GLN 26 OK 17 97 - 17 - 510/3.0=3, 510/3.0=3...(7) H GLN 15 + HB2 GLN 26 OK 17 97 - 17 - 510/3.0=3, 510/3.0=3...(7) HE22 GLN 53 - HB3 ARG 56 poor 7 59 - 12 - 5.2/3827=10 QE PHE 52 - HB3 ARG 56 lone 5 66 - 8 - 4634/4644=3, 2.2/4641=1 HE22 GLN 53 - HB3 GLN 26 lone 3 90 - 3 - HE22 GLN 53 - HB2 GLN 26 lone 3 90 - 3 - HE21 GLN 63 - HB2 GLN 26 lone 2 93 - 2 - HE21 GLN 63 - HB3 GLN 26 lone 2 93 - 2 - H TYR 28 - HB3 ARG 56 lone 1 61 - 2 - H GLN 15 - HB3 ARG 56 lone 1 66 - 2 - HE21 GLN 63 - HB3 ARG 56 lone 1 62 - 2 - Peak 4782 from cnoeabs.peaks (7.51, 2.29, 34.10 ppm; 4.07 A): 4 out of 12 assignments used, quality = 0.93: H TYR 28 + HG2 GLN 26 OK 66 100 - 66 - 4213/3.9=20, 4218=18...(9) H TYR 28 + HG3 GLN 26 OK 66 100 - 66 - 4213/3.9=20, 4218=18...(9) QE PHE 52 + HG2 GLN 26 OK 23 76 - 30 - 2.2/4859=9, ~4859=7...(8) QE PHE 52 + HG3 GLN 26 OK 23 76 - 30 - 2.2/4859=9, ~4859=7...(8) H GLN 15 - HG3 GLN 26 OK 20 100 - 20 - 510=5, 510/1.8=4...(8) H GLN 15 - HG2 GLN 26 OK 20 100 - 20 - 510=5, 510/1.8=4...(8) HD21 ASN 54 - HG2 GLN 26 lone 6 85 - 6 - 4213/3.9=1, 4218=1 HD21 ASN 54 - HG3 GLN 26 lone 6 85 - 6 - 4213/3.9=1, 4218=1 HE22 GLN 53 - HG2 GLN 26 lone 2 100 - 2 - HE22 GLN 53 - HG3 GLN 26 lone 2 100 - 2 - HE21 GLN 63 - HG2 GLN 26 lone 1 68 - 2 - HE21 GLN 63 - HG3 GLN 26 lone 1 68 - 2 - Peak 4783 from cnoeabs.peaks (3.34, 2.29, 34.10 ppm; 5.30 A): 0 out of 0 assignments used, low quality = 0.00: Peak 4784 from cnoeabs.peaks (4.58, 1.88, 30.88 ppm; 4.84 A): 2 out of 3 assignments used, quality = 0.96: HA LEU 29 + HB2 GLU 33 OK 91 100 - 91 - 4.0/4306=34, 3.6/4260=30...(12) HA SER 30 + HB2 GLU 33 OK 53 68 - 78 - 3.0/4260=34, ~4261=18...(11) HA SER 12 - HB2 GLU 33 lone 3 99 - 3 - 1752/4306=1 Peak 4786 from cnoeabs.peaks (4.58, 2.32, 30.88 ppm; 5.10 A): 3 out of 6 assignments used, quality = 0.98: HA LEU 29 + HB3 GLU 33 OK 85 99 - 86 - 4784/1.8=26, 4.0/4310=23...(12) HA SER 30 + HB3 GLU 33 OK 68 78 - 86 - ~4260=27, ~4301=25...(14) HA SER 30 + HB3 PRO 32 OK 60 69 - 87 - ~4291=23, ~4265=21...(13) HA LEU 29 - HB3 PRO 32 OK 39 91 - 44 - 3.6/4302=13, 4.0/4310=10...(7) HA SER 12 - HB3 PRO 32 lone 4 89 - 5 - HA SER 12 - HB3 GLU 33 lone 4 97 - 4 - 4784/1.8=1 Peak 4787 from cnoeabs.peaks (4.21, 2.32, 30.88 ppm; 5.25 A): 4 out of 8 assignments used, quality = 0.99: HA ALA 31 + HB3 PRO 32 OK 90 92 - 98 - ~4273=29, ~4276=27...(17) HB3 SER 30 + HB3 PRO 32 OK 70 75 - 94 - ~4291=33, 4265/3.0=31...(14) HA ALA 31 + HB3 GLU 33 OK 62 99 - 62 - 3720/4.6=30, 3719/4.0=24...(7) HB3 SER 30 + HB3 GLU 33 OK 54 85 - 63 - 4.0/4302=19, 972/4.0=11...(11) HA GLU 18 - HB3 PRO 32 OK 13 88 - 15 - 972/3.6=2, ~941=2...(4) HA GLU 18 - HB3 GLU 33 lone 9 97 - 9 - 976/4.6=3, 972/4.0=2 HA GLU 20 - HB3 GLU 33 lone 8 90 - 9 - 976/4.6=3, 972/4.0=2 HA GLU 20 - HB3 PRO 32 lone 5 81 - 6 - 972/3.6=2 Peak 4788 from cnoeabs.peaks (1.45, 4.32, 59.41 ppm; 4.61 A): 3 out of 10 assignments used, quality = 0.76: HG2 LYS 39 + HA HIS 36 OK 69 85 - 81 - 1.8/4368=27, 2.9/3752=20...(17) HG3 LYS 58 + HA HIS 36 OK 13 100 - 13 - 4.9/3751=3, 3.0/4368=3...(4) HB3 LEU 41 + HA HIS 36 OK 13 78 - 16 - 2107/3.6=6, ~4438=3...(6) HG2 LYS 62 - HA HIS 36 lone 7 90 - 8 - 3.7/4789=1, 3.7/4789=1...(4) HG3 LYS 62 - HA HIS 36 lone 7 90 - 8 - 3.7/4789=1, 3.7/4789=1...(4) HG3 LYS 60 - HA HIS 36 lone 6 78 - 7 - 2.9/4367=1, 3.9/4789=1...(4) HG2 LYS 60 - HA HIS 36 lone 5 76 - 7 - 2.9/4367=1, 3.9/4789=1...(4) HG3 ARG 56 - HA HIS 36 lone 3 100 - 3 - HB3 LEU 29 - HA HIS 36 lone 3 96 - 3 - HG LEU 43 - HA HIS 36 lone 2 78 - 2 - Peak 4789 from cnoeabs.peaks (2.99, 4.32, 59.41 ppm; 5.12 A): 2 out of 10 assignments used, quality = 0.93: HE3 LYS 39 + HA HIS 36 OK 74 99 - 75 - 3.6/4368=23, 3.6/4788=19...(13) HE2 LYS 39 + HA HIS 36 OK 74 99 - 75 - 3.6/4368=23, 3.6/4788=19...(13) HE2 LYS 49 - HA HIS 36 OK 12 98 - 12 - 3.6/4368=2, 3.0/4367=2...(6) HE3 LYS 49 - HA HIS 36 OK 12 98 - 12 - 3.6/4368=2, 3.0/4367=2...(6) HE3 LYS 62 - HA HIS 36 OK 10 100 - 10 - 3.7/4788=2, 3.7/4788=2...(4) HE2 LYS 62 - HA HIS 36 OK 10 100 - 10 - 3.7/4788=2, 3.7/4788=2...(4) HE3 LYS 60 - HA HIS 36 lone 9 100 - 9 - 3.9/4788=1, 3.9/4788=1...(4) HE2 LYS 60 - HA HIS 36 lone 9 99 - 9 - 3.9/4788=1, 3.9/4788=1...(4) HE3 LYS 42 - HA HIS 36 lone 2 57 - 4 - ~4366=1 HE2 LYS 42 - HA HIS 36 lone 2 57 - 4 - ~4366=1 Peak 4790 from cnoeabs.peaks (1.86, 0.96, 24.23 ppm; 3.50 A): 3 out of 9 assignments used, quality = 0.86: HG LEU 41 + QD1 LEU 37 OK 71 99 - 72 - 4460=19, 2.1/4377=19...(15) HB3 ARG 34 + QD1 LEU 37 OK 47 100 - 47 - 3.0/4319=10, 4327/4379=7...(13) HB3 LYS 49 + QD1 LEU 37 OK 10 81 - 12 - 4.0/231=4, 3.0/4583=1...(4) HB2 GLU 33 - QD1 LEU 37 lone 7 76 - 10 - 4307/4379=5, 3.0/1973=1 HB2 LYS 42 - QD1 LEU 37 poor 7 57 - 13 - 4.7/4470=6, 4390/3.8=1...(4) HG2 ARG 21 - QD1 LEU 37 lone 6 100 - 6 - 1373/3.8=1, 3.9/1973=1 HB ILE 17 - QD1 LEU 37 lone 5 78 - 6 - 3.2/4377=1 HB3 MET 11 - QD1 LEU 37 lone 2 71 - 3 - 1.8/4791=1 HB2 LYS 60 - QD1 LEU 37 lone 1 71 - 2 - Peak 4791 from cnoeabs.peaks (2.00, 0.96, 24.23 ppm; 4.34 A): 3 out of 7 assignments used, quality = 0.67: HB3 GLU 18 + QD1 LEU 37 OK 33 98 - 34 - 3.0/4805=15, 4770=5...(8) HB2 GLU 18 + QD1 LEU 37 OK 33 98 - 34 - 3.0/4805=15, 4770=5...(8) HG2 PRO 32 + QD1 LEU 37 OK 27 76 - 36 - 2.3/4869=8, ~4290=5...(9) HB2 MET 11 - QD1 LEU 37 lone 6 99 - 6 - 1.8/4815=2 HB3 GLN 63 - QD1 LEU 37 lone 5 99 - 5 - ~4693=2 HB2 GLN 26 - QD1 LEU 37 lone 3 87 - 3 - ~4388=1 HB3 GLN 26 - QD1 LEU 37 lone 3 87 - 3 - ~4388=1 Peak 4792 from cnoeabs.peaks (7.74, 1.00, 23.57 ppm; 3.65 A): 2 out of 6 assignments used, quality = 0.67: QD PHE 52 + QG1 VAL 48 OK 61 97 - 62 - 4704=28, 2.2/4731=22...(10) QD PHE 52 + QG2 VAL 16 OK 16 47 - 33 - 4704=13, 2.2/4731=11...(6) H ARG 56 - QG1 VAL 48 lone 6 97 - 6 - 1059/4.0=3, 4247/4581=1 H THR 59 - QG1 VAL 48 lone 2 96 - 2 - H ARG 56 - QG2 VAL 16 lone 1 47 - 3 - H THR 59 - QG2 VAL 16 lone 1 45 - 1 - Peak 4793 from cnoeabs.peaks (5.74, 3.76, 63.31 ppm; 5.00 A): 0 out of 1 assignment used, low quality = 0.37: HZ3 TRP 51 - HA PHE 52 OK 37 71 - 52 - 2.5/4794=31, ~254=18 Peak 4794 from cnoeabs.peaks (6.97, 3.76, 63.31 ppm; 3.72 A): 2 out of 2 assignments used, quality = 0.75: HE3 TRP 51 + HA PHE 52 OK 63 100 - 63 - 4675=24, 2.5/4793=19...(7) HZ PHE 23 + HA PHE 52 OK 33 78 - 42 - 3.8/4795=16, 2.2/4796=10...(6) Peak 4795 from cnoeabs.peaks (7.05, 3.76, 63.31 ppm; 4.68 A): 1 out of 3 assignments used, quality = 0.66: QD PHE 23 + HA PHE 52 OK 66 98 - 67 - 4698/3.7=27, 4700/5.6=18...(9) HD2 HIS 36 - HA PHE 52 lone 4 100 - 3 - 4698/3.7=1 HD2 HIS 10 - HA PHE 52 lone 3 89 - 3 - 4698/3.7=1 Peak 4796 from cnoeabs.peaks (7.18, 3.76, 63.31 ppm; 5.08 A): 2 out of 2 assignments used, quality = 0.90: QE PHE 23 + HA PHE 52 OK 71 100 - 71 - 2.2/4795=38, 2.2/4794=17...(11) HZ PHE 52 + HA PHE 52 OK 64 100 - 64 - 7.2=36, 2.2/4797=28...(5) Peak 4797 from cnoeabs.peaks (7.54, 3.76, 63.31 ppm; 5.25 A): 1 out of 5 assignments used, quality = 0.95: QE PHE 52 + HA PHE 52 OK 95 99 - 96 - 5.6=81, ~4728=28...(11) H GLU 18 - HA PHE 52 OK 14 90 - 15 - 4758/2.9=4, 4099/4113=3...(5) H TYR 57 - HA PHE 52 poor 8 63 - 13 - 4758/2.9=5, 4726/4794=2...(5) HE21 GLN 63 - HA PHE 52 lone 5 100 - 5 - 4758/2.9=1 H GLN 15 - HA PHE 52 lone 2 60 - 4 - Peak 4800 from cnoeabs.peaks (4.78, 4.06, 68.82 ppm; 3.90 A): 0 out of 4 assignments used, low quality = 0.24: HB THR 44 - HB THR 46 OK 24 100 - 24 - 4799/4.0=23, 2.1/4841=1 HA PHE 23 - HB THR 46 lone 7 78 - 8 - 4799/4.0=4, 3.6/2313=2 HB THR 44 - HB THR 14 lone 1 50 - 1 - HA PHE 23 - HB THR 14 lone 0 34 - 1 - Peak 4801 from cnoeabs.peaks (8.22, 3.20, 30.63 ppm; 5.23 A): 1 out of 1 assignment used, quality = 0.90: H MET 11 + HB2 HIS 10 OK 90 90 - 100 - 4.4=100 Peak 4802 from cnoeabs.peaks (2.49, 4.66, 55.35 ppm; 3.82 A): 2 out of 5 assignments used, quality = 0.99: HG3 MET 11 + HA MET 11 OK 99 100 - 99 - 3.8=98, 1.8/1100=36...(5) HG3 GLN 15 + HA MET 11 OK 50 100 - 50 - 4015/3.6=18, 4822/3.0=17...(9) HB2 GLN 15 - HA MET 11 OK 38 87 - 43 - 4013/3.6=16, ~4822=7...(10) HB2 ASN 54 - HA MET 11 lone 1 97 - 1 - HG2 GLU 20 - HA MET 11 lone 1 76 - 1 - Peak 4803 from cnoeabs.peaks (7.51, 3.95, 65.53 ppm; 5.63 A): 1 out of 6 assignments used, quality = 0.68: H GLN 15 + HB3 SER 12 OK 68 99 - 69 - 4012/3.9=35, 4.6/4743=23...(5) H TYR 28 - HB3 SER 12 lone 5 97 - 5 - 4700/3.9=2 HE22 GLN 53 - HB3 SER 12 lone 4 96 - 4 - 4700/3.9=1 QE PHE 52 - HB3 SER 12 lone 4 92 - 4 - HD21 ASN 54 - HB3 SER 12 lone 4 65 - 6 - 4700/3.9=1 HE21 GLN 63 - HB3 SER 12 lone 3 87 - 4 - Peak 4804 from cnoeabs.peaks (2.50, 4.37, 65.53 ppm; 5.08 A): 3 out of 8 assignments used, quality = 0.88: HB2 GLN 15 + HB2 SER 12 OK 66 100 - 66 - 4013/3.9=33, ~3657=18...(7) HG3 GLN 15 + HB2 SER 12 OK 50 87 - 58 - 4015/3.9=24, 4740/1.8=15...(7) HG3 MET 11 + HB2 SER 12 OK 28 85 - 33 - 4736/3.9=21, 4740/1.8=8 HB2 GLN 15 - HA PRO 32 poor 9 73 - 12 - 4.0/924=3, 4.7/930=3...(4) HG3 GLN 15 - HA PRO 32 lone 5 57 - 8 - 5.0/924=3, 4822/3.8=1...(4) HB2 ASN 54 - HB2 SER 12 lone 3 63 - 5 - HG3 MET 11 - HA PRO 32 lone 2 55 - 4 - HB2 ASN 54 - HA PRO 32 lone 1 38 - 2 - Peak 4805 from cnoeabs.peaks (0.95, 2.28, 35.25 ppm; 5.15 A): 2 out of 2 assignments used, quality = 0.51: QD1 LEU 37 + HG2 GLU 18 OK 38 97 - 40 - 4791/3.0=11, 4791/3.0=11...(6) QG2 VAL 48 + HG2 GLU 18 OK 21 100 - 21 - 4459/4450=4, 4770/3.0=4...(6) Peak 4806 from cnoeabs.peaks (0.81, 1.86, 27.31 ppm; 4.63 A): 2 out of 2 assignments used, quality = 0.87: QG2 ILE 17 + HG2 ARG 21 OK 75 100 - 76 - 4137/2.9=22, 4808/1.8=21...(12) QD1 ILE 50 + HG2 ARG 21 OK 47 97 - 49 - 4808/1.8=13, 4136/2.9=12...(7) Peak 4807 from cnoeabs.peaks (0.81, 1.86, 27.31 ppm; 4.63 A): 2 out of 2 assignments used, quality = 0.87: QG2 ILE 17 + HG2 ARG 21 OK 75 100 - 76 - 4137/2.9=22, 4808/1.8=21...(12) QD1 ILE 50 + HG2 ARG 21 OK 47 96 - 48 - 4808/1.8=13, 4136/2.9=12...(6) Peak 4808 from cnoeabs.peaks (0.82, 1.60, 27.31 ppm; 4.84 A): 2 out of 6 assignments used, quality = 0.84: QG2 ILE 17 + HG3 ARG 21 OK 71 97 - 74 - 4807/1.8=25, 4137/2.9=22...(10) QD1 ILE 50 + HG3 ARG 21 OK 43 85 - 50 - 4806/1.8=16, 4137/2.9=13...(8) QG2 ILE 17 - HG2 ARG 61 lone 3 91 - 3 - QG2 ILE 17 - HG3 ARG 61 lone 3 89 - 3 - QD1 ILE 50 - HG2 ARG 61 lone 2 77 - 2 - QD1 ILE 50 - HG3 ARG 61 lone 2 75 - 2 - Peak 4809 from cnoeabs.peaks (0.81, 1.97, 30.19 ppm; 4.50 A): 4 out of 6 assignments used, quality = 0.99: QG2 ILE 17 + HB2 ARG 21 OK 78 100 - 78 - 4807/3.0=19, 4137/3.5=18...(15) QG2 ILE 17 + HB3 ARG 21 OK 77 100 - 78 - 4807/3.0=19, 4137/3.5=18...(15) QD1 ILE 50 + HB2 ARG 21 OK 47 97 - 48 - 4806/3.0=12, 4136/3.5=11...(7) QD1 ILE 50 + HB3 ARG 21 OK 46 96 - 48 - 4806/3.0=12, 4136/3.5=11...(7) QG2 ILE 17 - HB3 GLU 67 lone 2 74 - 3 - QD1 ILE 50 - HB3 GLU 67 lone 1 68 - 2 - Peak 4810 from cnoeabs.peaks (0.14, 1.68, 24.77 ppm; 5.05 A): 1 out of 1 assignment used, quality = 0.92: QD1 LEU 29 + HG3 LYS 22 OK 92 100 - 92 - 2.1/4155=46, ~4153=34...(13) Peak 4811 from cnoeabs.peaks (0.45, 2.95, 42.08 ppm; 4.18 A): 1 out of 1 assignment used, quality = 0.89: QD2 LEU 29 + HE3 LYS 22 OK 89 99 - 90 - 4778/1.8=43, 4243=34...(9) Peak 4812 from cnoeabs.peaks (3.66, 1.59, 28.15 ppm; 5.18 A): 3 out of 4 assignments used, quality = 0.87: HA GLU 45 + HG3 ARG 34 OK 67 90 - 75 - 4813/1.8=19, 4520=18...(13) HA VAL 48 + HG3 ARG 34 OK 56 60 - 93 - 3.2/4329=30, ~4336=18...(19) HA LEU 19 + HG3 ARG 34 OK 11 87 - 13 - 4.0/4116=5, 4813/1.8=2 HA ILE 17 - HG3 ARG 34 lone 3 65 - 5 - Peak 4813 from cnoeabs.peaks (3.65, 1.34, 28.15 ppm; 4.88 A): 3 out of 6 assignments used, quality = 0.91: HA GLU 45 + HG2 ARG 34 OK 73 96 - 77 - 4812/1.8=18, 4511=17...(14) HA VAL 48 + HG2 ARG 34 OK 63 71 - 89 - 3.2/4331=21, ~4329=20...(17) HA GLU 45 + HD3 LYS 27 OK 11 49 - 21 - 4511=4, 3.0/4510=3...(10) HA LEU 19 - HG2 ARG 34 lone 9 93 - 9 - 4812/1.8=3, 4106/4576=2 HA VAL 48 - HD3 LYS 27 poor 7 33 - 20 - 3.0/4570=4, 3.2/4574=4...(6) HA LEU 19 - HD3 LYS 27 lone 2 47 - 5 - 4103/4652=2 Peak 4814 from cnoeabs.peaks (1.82, 0.92, 27.31 ppm; 5.04 A): 2 out of 9 assignments used, quality = 0.94: HD2 LYS 22 + QD2 LEU 37 OK 90 100 - 90 - 3.0/4386=23, 3.5/4388=19...(16) HB3 GLN 47 + QD2 LEU 37 OK 38 99 - 39 - 4552/2.1=18, 3.0/4543=12...(4) HB2 PRO 32 - QD2 LEU 37 OK 31 73 - 43 - ~4791=7, ~4297=6...(9) HB ILE 17 - QD2 LEU 37 OK 16 87 - 18 - 4.5/4391=6, 4815/2.1=3...(5) HB3 MET 11 - QD2 LEU 37 lone 7 92 - 8 - 4815/2.1=2, ~4791=2, 3.0/4387=1 HB2 LYS 62 - QD2 LEU 37 lone 5 99 - 5 - HB2 LYS 60 - QD2 LEU 37 lone 4 92 - 4 - HB2 LYS 58 - QD2 LEU 37 lone 4 87 - 4 - HB2 ARG 61 - QD2 LEU 37 lone 3 98 - 3 - Peak 4815 from cnoeabs.peaks (1.83, 0.96, 24.23 ppm; 3.83 A): 3 out of 9 assignments used, quality = 0.85: HD2 LYS 22 + QD1 LEU 37 OK 65 93 - 70 - 4156/2.1=11, 3.0/4383=10...(17) HB3 GLN 47 + QD1 LEU 37 OK 34 99 - 34 - 4552=9, 4.0/4539=6...(10) HB3 ARG 34 + QD1 LEU 37 OK 34 68 - 50 - 3.0/4319=12, ~3742=8...(12) HB ILE 17 - QD1 LEU 37 lone 9 100 - 9 - 3.2/4377=2, 4814/2.1=2 HB3 MET 11 - QD1 LEU 37 lone 7 100 - 7 - 1.8/4791=2 HB2 LYS 62 - QD1 LEU 37 lone 3 100 - 3 - HG2 ARG 21 - QD1 LEU 37 lone 3 68 - 4 - 3.9/1973=1 HB2 LYS 60 - QD1 LEU 37 lone 3 100 - 2 - HB2 ARG 61 - QD1 LEU 37 lone 1 78 - 2 - Peak 4816 from cnoeabs.peaks (0.53, 0.72, 26.10 ppm; 3.63 A): 1 out of 1 assignment used, quality = 0.55: QD2 LEU 19 + QD1 LEU 41 OK 55 98 - 56 - 4818/2.1=21, 2.1/4817=13...(12) Peak 4817 from cnoeabs.peaks (-0.28, 0.72, 26.10 ppm; 4.81 A): 3 out of 3 assignments used, quality = 0.84: QD1 LEU 19 + QD1 LEU 41 OK 76 100 - 76 - 2.1/4816=48, ~4818=27...(8) HB3 ARG 55 + QD1 LEU 41 OK 21 100 - 21 - ~4819=6, ~4820=4...(5) HG2 ARG 55 + QD1 LEU 41 OK 18 100 - 18 - ~4819=4, ~4820=3...(7) Peak 4818 from cnoeabs.peaks (0.52, 0.75, 22.71 ppm; 4.78 A): 1 out of 1 assignment used, quality = 0.63: QD2 LEU 19 + QD2 LEU 41 OK 63 95 - 67 - 4816/2.1=48, ~4817=17...(8) Peak 4819 from cnoeabs.peaks (0.67, 1.43, 42.54 ppm; 3.57 A): 2 out of 2 assignments used, quality = 0.54: QD1 LEU 43 + HB3 LEU 41 OK 48 93 - 52 - 4820/1.8=24, 2.1/4464=16...(9) HB2 ARG 55 + HB3 LEU 41 OK 12 85 - 13 - 4820/1.8=5, ~4817=2...(6) Peak 4820 from cnoeabs.peaks (0.68, 1.62, 42.54 ppm; 3.59 A): 0 out of 12 assignments used, low quality = 0.39: QD1 LEU 43 - HB2 LEU 41 OK 39 78 - 50 - 4819/1.8=28, ~4464=12...(9) HB2 ARG 55 - HB2 LEU 41 poor 8 65 - 12 - 4819/1.8=7, ~4817=2, 4.0/2100=1 QD1 LEU 43 - HB3 LEU 64 lone 2 71 - 3 - QD1 ILE 17 - HB2 LEU 41 lone 2 76 - 2 - QD1 LEU 43 - HB3 LEU 68 lone 2 52 - 3 - QD1 LEU 43 - HB2 LEU 68 lone 1 38 - 2 - HB2 ARG 55 - HB3 LEU 64 lone 1 59 - 1 - QD1 ILE 17 - HB3 LEU 64 lone 1 69 - 1 - QD1 ILE 17 - HB3 LEU 68 lone 0 50 - 1 - HB2 ARG 55 - HB3 LEU 68 lone 0 43 - 1 - QD1 ILE 17 - HB2 LEU 68 lone 0 37 - 1 - HB2 ARG 55 - HB2 LEU 68 lone 0 31 - 1 - Peak 4821 from cnoeabs.peaks (8.14, 0.86, 23.20 ppm; 4.76 A): 2 out of 2 assignments used, quality = 1.00: H LEU 68 + QD1 LEU 68 OK 100 100 - 100 - 4.7=100 H LEU 68 + QD2 LEU 68 OK 99 99 - 100 - 4.7=100 Peak 4822 from cnoeabs.peaks (2.01, 2.48, 35.21 ppm; 3.58 A): 3 out of 7 assignments used, quality = 0.65: HB2 MET 11 + HG3 GLN 15 OK 50 97 - 52 - 4.3/4015=13, 1.8/4823=13...(13) HB3 GLU 18 + HG3 GLN 15 OK 16 97 - 16 - 3674/3.8=5, ~4022=3...(5) HB2 GLU 18 + HG3 GLN 15 OK 16 97 - 16 - 3674/3.8=5, ~4022=3...(5) HG2 PRO 32 - HG3 GLN 15 lone 4 71 - 5 - 3672/3.8=1 HB3 GLN 63 - HG3 GLN 15 lone 3 97 - 3 - HB2 GLN 26 - HG3 GLN 15 lone 2 90 - 3 - HB3 GLN 26 - HG3 GLN 15 lone 2 90 - 3 - Peak 4823 from cnoeabs.peaks (1.84, 2.48, 35.21 ppm; 3.96 A): 3 out of 10 assignments used, quality = 0.82: HB3 MET 11 + HG3 GLN 15 OK 58 100 - 59 - 1.8/4822=23, 4.3/4015=17...(14) HG LEU 41 + HG3 GLN 15 OK 50 63 - 80 - 3.0/4028=16, 2.1/4029=14...(18) HB ILE 17 + HG3 GLN 15 OK 14 100 - 15 - 3668/3.8=6, 4055/3364=4...(4) HB3 GLN 47 - HG3 GLN 15 lone 7 95 - 7 - 4551/4030=4, 4550/4846=2 HD2 LYS 22 - HG3 GLN 15 lone 4 83 - 5 - ~4855=2 HB2 LYS 62 - HG3 GLN 15 lone 3 97 - 3 - HB2 LYS 60 - HG3 GLN 15 lone 3 100 - 3 - HG2 ARG 21 - HG3 GLN 15 lone 3 83 - 3 - HB3 ARG 34 - HG3 GLN 15 lone 2 83 - 3 - 3.0/1177=1 HB2 ARG 61 - HG3 GLN 15 lone 1 63 - 1 - Peak 4824 from cnoeabs.peaks (3.24, -0.76, 37.72 ppm; 6.00 A): 3 out of 5 assignments used, quality = 0.94: HA VAL 16 + HB3 LEU 19 OK 82 85 - 96 - 3681=39, 4119/3.1=29...(16) HD3 ARG 21 + HB3 LEU 19 OK 45 97 - 47 - 4119/3.1=13, 945/4.0=11...(8) HB2 PHE 52 + HB3 LEU 19 OK 36 57 - 63 - ~4098=27, ~4113=22...(5) HD3 ARG 34 - HB3 LEU 19 poor 10 71 - 14 - ~4116=4, 4115/3.1=2...(4) HB3 HIS 13 - HB3 LEU 19 poor 8 63 - 12 - ~3680=4, ~4112=3...(4) Peak 4825 from cnoeabs.peaks (1.00, 0.53, 23.51 ppm; 3.32 A): 2 out of 2 assignments used, quality = 0.82: QG2 VAL 16 + QD2 LEU 19 OK 62 97 - 65 - 4767/3.1=9, 4766/2.1=9...(22) QG1 VAL 48 + QD2 LEU 19 OK 53 100 - 53 - 3.2/4579=13, 2.1/4117=11...(12) Peak 4826 from cnoeabs.peaks (0.15, 0.53, 23.51 ppm; 4.48 A): 1 out of 1 assignment used, quality = 0.51: QD1 LEU 29 + QD2 LEU 19 OK 51 100 - 51 - 4379/4378=15...(9) Peak 4827 from cnoeabs.peaks (7.15, -0.28, 24.60 ppm; 5.31 A): 2 out of 5 assignments used, quality = 0.85: HD1 TRP 51 + QD1 LEU 19 OK 79 99 - 79 - 4719/2.1=31, 4752=19...(12) QE PHE 23 + QD1 LEU 19 OK 30 65 - 46 - ~4101=13, 4100/2.1=10...(8) HD2 HIS 13 - QD1 LEU 19 poor 9 68 - 13 - 4705/3.1=3, 4622/2.1=2...(5) QD TYR 57 - QD1 LEU 19 lone 5 100 - 5 - QD TYR 28 - QD1 LEU 19 lone 2 83 - 3 - Peak 4829 from cnoeabs.peaks (9.01, 1.94, 29.95 ppm; 5.00 A): 2 out of 2 assignments used, quality = 0.46: H SER 30 + HB2 ARG 34 OK 33 63 - 53 - 4828/3.9=21, 4.4/4323=15...(5) H PHE 23 + HB2 ARG 34 OK 19 96 - 20 - 4828/3.9=9, 875/4.3=3...(6) Peak 4830 from cnoeabs.peaks (7.79, 4.34, 54.54 ppm; 5.19 A): 1 out of 1 assignment used, quality = 0.85: HE21 GLN 15 + HA LEU 41 OK 85 98 - 87 - 4435/3.0=37, 4436/4.0=30...(11) Peak 4831 from cnoeabs.peaks (2.41, 1.83, 29.96 ppm; 3.50 A): 1 out of 1 assignment used, quality = 1.00: HG3 GLN 47 + HB3 GLN 47 OK 100 100 - 100 - 3.0=100 Peak 4832 from cnoeabs.peaks (2.59, 1.83, 29.96 ppm; 2.90 A): 1 out of 1 assignment used, quality = 0.99: HB2 GLN 47 + HB3 GLN 47 OK 99 99 - 100 - 1.8=100 Peak 4833 from cnoeabs.peaks (2.54, 1.83, 29.96 ppm; 3.37 A): 1 out of 1 assignment used, quality = 1.00: HG2 GLN 47 + HB3 GLN 47 OK 100 100 - 100 - 3.0=100 Peak 4834 from cnoeabs.peaks (0.84, 2.55, 35.63 ppm; 5.38 A): 3 out of 4 assignments used, quality = 0.95: QD2 LEU 43 + HG2 GLN 47 OK 86 89 - 97 - 4496/3.4=32, 4.7/4565=29...(21) QD2 LEU 68 + HG2 GLN 47 OK 43 81 - 53 - 4561/1.8=9, 4548/3.0=8...(12) QD1 LEU 68 + HG2 GLN 47 OK 38 73 - 52 - 4548/3.0=7, 4558/3.4=7...(12) QD2 LEU 64 - HG2 GLN 47 OK 23 97 - 23 - 4561/1.8=5, 4548/3.0=4...(7) Peak 4835 from cnoeabs.peaks (7.18, 0.65, 28.41 ppm; 5.73 A): 2 out of 2 assignments used, quality = 0.81: QE PHE 23 + HB2 ARG 55 OK 75 100 - 75 - 2.2/4650=21, 4635/4.7=19...(8) HZ PHE 52 + HB2 ARG 55 OK 22 100 - 22 - 7.2/3819=16, 4672/4.7=3 Peak 4836 from cnoeabs.peaks (7.26, 1.97, 40.78 ppm; 5.51 A): 1 out of 1 assignment used, quality = 0.69: HZ2 TRP 51 + HD3 ARG 55 OK 69 99 - 70 - 4630=16, 4695/3.0=15...(12) Peak 4837 from cnoeabs.peaks (8.92, 1.97, 40.78 ppm; 5.40 A): 0 out of 1 assignment used, low quality = 0.17: H PHE 52 - HD3 ARG 55 OK 17 93 - 18 - ~3820=8, 3.6/4611=4...(4) Peak 4838 from cnoeabs.peaks (1.29, 4.08, 59.51 ppm; 4.23 A): 3 out of 6 assignments used, quality = 0.50: QG2 THR 59 + HA ARG 56 OK 30 100 - 30 - 4841=11, 2.1/4840=9...(5) QG2 THR 59 + HA ARG 21 OK 17 93 - 18 - 2.1/4840=7, 4841=6, 4502/2.9=4 QG2 THR 44 + HA ARG 56 OK 14 96 - 15 - 4841=5, 4504/4674=4...(4) HG12 ILE 50 - HA ARG 21 poor 10 92 - 11 - ~4135=6, ~4809=3, 1.8/2036=1 QG2 THR 44 - HA ARG 21 lone 5 86 - 6 - 4841=2, 4502/2.9=1, 4502/4486=1 HG12 ILE 50 - HA ARG 56 lone 2 99 - 2 - Peak 4839 from cnoeabs.peaks (3.42, 1.54, 29.10 ppm; 5.18 A): 2 out of 2 assignments used, quality = 0.93: HA ARG 55 + HD3 LYS 58 OK 74 99 - 75 - 3840/3.5=31, 3842/3.5=29...(5) HA ARG 55 + HD2 LYS 58 OK 74 99 - 75 - 3840/3.5=31, 3842/3.5=29...(5) Peak 4840 from cnoeabs.peaks (4.06, 4.28, 69.66 ppm; 4.64 A): 0 out of 8 assignments used, low quality = 0.24: HA ARG 56 - HB THR 59 OK 14 83 - 17 - 4838/2.1=12, ~4682=5 HA ARG 21 - HB THR 59 OK 11 97 - 11 - 4838/2.1=7, ~4502=4 HA LEU 37 - HB THR 59 lone 3 100 - 3 - ~4682=1 HA GLU 33 - HB THR 59 lone 2 96 - 2 - HB THR 46 - HB THR 59 lone 2 100 - 2 - HA SER 24 - HB THR 59 lone 2 87 - 2 - HA LYS 39 - HB THR 59 lone 1 78 - 2 - HB THR 14 - HB THR 59 lone 1 92 - 1 - Peak 4841 from cnoeabs.peaks (4.09, 1.29, 21.73 ppm; 4.05 A): 4 out of 16 assignments used, quality = 0.67: HA LYS 58 + QG2 THR 59 OK 37 81 - 47 - 3.6/797=28, 4678/3.2=11...(4) HA ARG 56 + QG2 THR 59 OK 29 99 - 30 - 4838=16, 3.0/4682=5...(6) HA ARG 21 + QG2 THR 59 OK 15 90 - 17 - 4838=9, 4840/2.1=4, 2.9/4502=3 HA ARG 56 + QG2 THR 44 OK 14 87 - 16 - 4838=8, 4674/4504=3...(4) HB THR 46 - QG2 THR 44 poor 8 53 - 16 - 4800/2.1=15 HA ARG 21 - QG2 THR 44 lone 5 76 - 6 - 4838=3, 2.9/4502=1 HA SER 24 - QG2 THR 59 lone 3 98 - 3 - HA LYS 58 - QG2 THR 44 lone 3 66 - 4 - 3.0/4682=1, 3.6/797=1 HA LYS 39 - QG2 THR 59 lone 3 100 - 3 - HA GLU 33 - QG2 THR 59 lone 3 92 - 3 - HA LEU 37 - QG2 THR 59 lone 2 65 - 4 - 3.0/4682=1, 4840/2.1=1 HA SER 24 - QG2 THR 44 lone 2 85 - 3 - HA LYS 39 - QG2 THR 44 lone 2 88 - 2 - 4486/4502=1 HA GLU 33 - QG2 THR 44 lone 2 77 - 2 - HA LEU 37 - QG2 THR 44 lone 1 53 - 2 - HB THR 46 - QG2 THR 59 lone 1 65 - 2 - Peak 4842 from cnoeabs.peaks (7.97, 1.29, 21.73 ppm; 4.77 A): 1 out of 1 assignment used, quality = 0.97: H LYS 60 + QG2 THR 59 OK 97 97 - 100 - 4.1=100 Peak 4844 from cnoeabs.peaks (2.98, 1.77, 32.70 ppm; 5.22 A): 4 out of 4 assignments used, quality = 1.00: HE2 LYS 62 + HB3 LYS 62 OK 100 100 - 100 - 4.6=100 HE2 LYS 60 + HB3 LYS 60 OK 99 99 - 100 - 4.9=100 HE3 LYS 60 + HB3 LYS 60 OK 99 99 - 100 - 4.9=100 HE3 LYS 62 + HB3 LYS 62 OK 99 99 - 100 - 4.6=100 Peak 4845 from cnoeabs.peaks (1.83, 0.85, 24.31 ppm; 4.00 A): 2 out of 8 assignments used, quality = 0.98: HB3 GLN 47 + QD2 LEU 43 OK 91 100 - 91 - 4550=24, 4551/2.1=24...(20) HB3 MET 11 + QD2 LEU 43 OK 73 99 - 73 - 3.0/4719=15, 3.0/4724=13...(17) HD2 LYS 22 - QD2 LEU 43 OK 32 97 - 34 - 1.8/4484=12, ~4481=6...(8) HB ILE 17 - QD2 LEU 43 OK 12 98 - 12 - 4070/3.1=3, ~4071=2...(6) HB2 LYS 62 - QD2 LEU 43 lone 4 100 - 4 - HB2 ARG 61 - QD2 LEU 43 lone 3 87 - 4 - HB2 LYS 60 - QD2 LEU 43 lone 3 99 - 3 - HB2 LYS 58 - QD2 LEU 43 lone 2 65 - 2 - Peak 4846 from cnoeabs.peaks (2.50, 0.85, 24.31 ppm; 3.80 A): 3 out of 4 assignments used, quality = 0.97: HG3 GLN 15 + QD2 LEU 43 OK 80 96 - 84 - 3.5/4497=27, 3.5/4494=23...(16) HG3 MET 11 + QD2 LEU 43 OK 68 95 - 72 - 4724=19, 1.8/4719=18...(15) HB2 GLN 15 + QD2 LEU 43 OK 61 99 - 61 - 4.6/4497=20, 4.6/4494=17...(8) HB2 ASN 54 - QD2 LEU 43 lone 2 78 - 2 - Peak 4847 from cnoeabs.peaks (4.68, 0.85, 24.31 ppm; 4.14 A): 2 out of 4 assignments used, quality = 0.65: HA THR 44 + QD2 LEU 43 OK 45 60 - 75 - 2.9/3511=32, ~3510=16...(8) HA MET 11 + QD2 LEU 43 OK 37 76 - 48 - 3.8/4719=13, 3.8/4724=12...(9) HA HIS 10 - QD2 LEU 43 lone 2 100 - 2 - HA HIS 25 - QD2 LEU 43 lone 1 89 - 1 - Peak 4848 from cnoeabs.peaks (7.67, 0.85, 24.31 ppm; 4.28 A): 2 out of 5 assignments used, quality = 0.87: HE22 GLN 47 + QD2 LEU 43 OK 76 100 - 77 - 1.7/4496=36, 4559=24...(12) H VAL 48 + QD2 LEU 43 OK 46 93 - 50 - 4.7/4550=12, ~4578=12...(9) H LYS 39 - QD2 LEU 43 lone 6 100 - 6 - 4501/4.7=2, 652/4464=2 H LYS 58 - QD2 LEU 43 lone 3 97 - 3 - HE22 GLN 26 - QD2 LEU 43 lone 1 73 - 1 - Peak 4850 from cnoeabs.peaks (1.75, 4.44, 59.02 ppm; 4.14 A): 0 out of 5 assignments used, low quality = 0.27: HB3 LYS 58 - HA TYR 57 OK 27 78 - 34 - 787/3.6=15, ~4679=9...(5) HB3 LYS 62 - HA TYR 57 lone 5 78 - 6 - 2.9/4851=2, 2.9/4851=2 HB3 LYS 60 - HA TYR 57 lone 3 71 - 5 - 3.0/4851=2, 3.0/4851=2 HB3 LEU 37 - HA TYR 57 lone 3 81 - 3 - 787/3.6=2 HB3 ARG 61 - HA TYR 57 lone 2 68 - 3 - 787/3.6=1 Peak 4851 from cnoeabs.peaks (1.43, 4.44, 59.02 ppm; 4.50 A): 0 out of 9 assignments used, low quality = 0.43: HG3 LYS 58 - HA TYR 57 OK 30 68 - 44 - 2.8/4850=23, 789/3.6=12...(5) HG3 ARG 56 - HA TYR 57 OK 18 71 - 26 - ~290=9, ~289=7...(4) HG3 LYS 62 - HA TYR 57 lone 8 100 - 8 - 2.9/4850=4, 2015/3.6=1 HG2 LYS 62 - HA TYR 57 lone 8 100 - 8 - 2.9/4850=4, 2015/3.6=1 HB3 LEU 41 - HA TYR 57 lone 7 100 - 6 - 4718/3.7=1 HG2 LYS 39 - HA TYR 57 lone 6 100 - 6 - 2015/3.6=3, 4718/3.7=1 HG3 LYS 60 - HA TYR 57 lone 6 100 - 6 - 3.0/4850=3 HG2 LYS 60 - HA TYR 57 lone 6 100 - 6 - 3.0/4850=3 HB2 LYS 27 - HA TYR 57 lone 6 97 - 6 - 4204/3.7=4 Peak 4853 from cnoeabs.peaks (3.79, 1.00, 23.57 ppm; 3.67 A): 3 out of 12 assignments used, quality = 0.73: HA ARG 34 + QG1 VAL 48 OK 52 100 - 52 - 4.0/4329=14, 4319=11...(8) HA PHE 52 + QG1 VAL 48 OK 29 60 - 48 - 3.7/4792=16, 2.9/4632=15...(8) HA GLN 15 + QG2 VAL 16 OK 21 48 - 44 - 3.6/517=13, ~4018=8...(10) HA ILE 50 - QG1 VAL 48 poor 10 96 - 10 - 3802/4632=4, 3804/2.1=2, ~4569=1 HA GLN 15 - QG1 VAL 48 lone 7 99 - 7 - 4240/4581=2, 3.0/4567=2 HA PHE 52 - QG2 VAL 16 poor 4 24 - 17 - 3.7/4704=7, 2.9/4632=5...(4) HA THR 14 - QG2 VAL 16 poor 4 27 - 15 - 933/4.3=6, 3.6/4016=5, ~12=2 HD3 PRO 32 - QG1 VAL 48 lone 4 93 - 4 - 4240/4581=2 HA ARG 34 - QG2 VAL 16 lone 3 50 - 7 - 933/4.3=2, 4326/4581=2 HA THR 14 - QG1 VAL 48 lone 3 65 - 4 - 3.6/4567=1 HD3 PRO 32 - QG2 VAL 16 lone 2 43 - 4 - 933/4.3=1 HA ILE 50 - QG2 VAL 16 lone 2 45 - 4 - 3802/4632=1 Peak 4854 from cnoeabs.peaks (4.33, 1.00, 23.57 ppm; 4.26 A): 3 out of 14 assignments used, quality = 0.91: HA LYS 49 + QG1 VAL 48 OK 85 100 - 85 - 4583=41, 3.0/230=33...(11) HA LEU 41 + QG1 VAL 48 OK 23 93 - 25 - ~4465=8, ~4463=6...(5) HA LYS 22 + QG1 VAL 48 OK 21 71 - 30 - ~4147=5, ~4150=5...(7) HA HIS 36 - QG1 VAL 48 lone 5 98 - 5 - 3751/4.0=2 HA LYS 49 - QG2 VAL 16 lone 4 51 - 7 - 4583=2, 3796/4632=2, 3.0/230=1 HA HIS 36 - QG2 VAL 16 lone 4 48 - 7 - ~3366=2, ~3368=1, ~29=1 HA GLN 63 - QG1 VAL 48 lone 3 96 - 3 - HA ASN 54 - QG1 VAL 48 lone 3 60 - 5 - 1037/4632=1, ~3789=1 HA LYS 22 - QG2 VAL 16 lone 2 30 - 8 - ~3368=2, ~3366=2, ~555=1 HA GLU 67 - QG1 VAL 48 lone 2 95 - 2 - HA GLU 67 - QG2 VAL 16 lone 1 44 - 3 - HA LEU 41 - QG2 VAL 16 lone 1 43 - 2 - HA GLN 63 - QG2 VAL 16 lone 1 45 - 2 - HA ASN 54 - QG2 VAL 16 lone 1 24 - 3 - ~4059=1 Peak 4855 from cnoeabs.peaks (2.29, 2.80, 42.08 ppm; 4.52 A): 0 out of 6 assignments used, low quality = 0.00: HG2 GLN 26 - HE2 LYS 22 lone 10 100 - 10 - 4194/4778=8 HG3 GLN 26 - HE2 LYS 22 lone 10 100 - 10 - 4194/4778=8 HG2 GLU 18 - HE2 LYS 22 lone 4 97 - 5 - 4805/4777=2 HG2 GLN 15 - HE2 LYS 22 lone 4 96 - 4 - 4236/4778=2 HB3 PRO 32 - HE2 LYS 22 lone 3 78 - 3 - 4310/4778=2 HG2 GLU 67 - HE2 LYS 22 lone 2 99 - 2 - Peak 4857 from cnoeabs.peaks (0.15, 2.29, 34.10 ppm; 5.16 A): 2 out of 2 assignments used, quality = 0.99: QD1 LEU 29 + HG2 GLN 26 OK 92 100 - 92 - ~4196=28, ~4195=27...(16) QD1 LEU 29 + HG3 GLN 26 OK 92 100 - 92 - ~4196=28, ~4195=27...(16) Peak 4858 from cnoeabs.peaks (1.55, 2.29, 34.10 ppm; 4.94 A): 2 out of 14 assignments used, quality = 0.56: HB3 LYS 27 + HG2 GLN 26 OK 34 96 - 35 - 589/4.9=24, 4.1/4218=13 HB3 LYS 27 + HG3 GLN 26 OK 34 96 - 35 - 589/4.9=24, 4.1/4218=13 HG LEU 37 - HG2 GLN 26 lone 6 96 - 6 - ~4388=1 HG LEU 37 - HG3 GLN 26 lone 6 96 - 6 - ~4388=1 QB ALA 31 - HG2 GLN 26 lone 5 97 - 5 - QB ALA 31 - HG3 GLN 26 lone 5 97 - 5 - HG2 LYS 49 - HG2 GLN 26 lone 4 76 - 6 - 589/4.9=3 HG2 LYS 49 - HG3 GLN 26 lone 4 76 - 6 - 589/4.9=3 HG3 LYS 39 - HG2 GLN 26 lone 4 100 - 4 - HG3 LYS 39 - HG3 GLN 26 lone 4 100 - 4 - HD3 LYS 58 - HG2 GLN 26 lone 2 99 - 2 - HD2 LYS 58 - HG2 GLN 26 lone 2 99 - 2 - HD3 LYS 58 - HG3 GLN 26 lone 2 99 - 2 - HD2 LYS 58 - HG3 GLN 26 lone 2 99 - 2 - Peak 4859 from cnoeabs.peaks (7.19, 2.29, 34.10 ppm; 5.06 A): 2 out of 6 assignments used, quality = 0.52: HZ PHE 52 + HG2 GLN 26 OK 31 97 - 32 - 4647/4194=7, 4641/3.0=6...(7) HZ PHE 52 + HG3 GLN 26 OK 31 97 - 32 - 4647/4194=7, 4641/3.0=6...(7) QE PHE 23 - HG2 GLN 26 lone 7 93 - 8 - 4254/4194=2, 4249/4857=1...(4) QE PHE 23 - HG3 GLN 26 lone 7 93 - 8 - 4254/4194=2, 4249/4857=1...(4) H GLU 33 - HG3 GLN 26 lone 4 80 - 6 - 4254/4194=2 H GLU 33 - HG2 GLN 26 lone 4 81 - 6 - 4254/4194=2 Peak 4862 from cnoeabs.peaks (7.16, 2.84, 42.40 ppm; 4.99 A): 1 out of 4 assignments used, quality = 0.95: QE PHE 23 + HE2 LYS 27 OK 95 97 - 97 - 4641/1.8=47, 4652/3.0=35...(15) QD TYR 57 - HE2 LYS 27 OK 28 85 - 33 - 4208/3.8=6, 4210/3.0=6...(9) HZ PHE 52 - HE2 LYS 27 OK 27 93 - 29 - 4863/1.8=7, 4209/3.0=6...(7) HD1 TRP 51 - HE2 LYS 27 OK 19 76 - 25 - 4210/3.0=4, 4208/3.8=4...(8) Peak 4863 from cnoeabs.peaks (7.17, 2.76, 42.40 ppm; 4.79 A): 1 out of 4 assignments used, quality = 0.97: QE PHE 23 + HE3 LYS 27 OK 97 100 - 97 - 4641=49, 2.2/4647=37...(14) HZ PHE 52 - HE3 LYS 27 OK 25 99 - 25 - 4862/1.8=6, 4209/3.0=5...(7) QD TYR 57 - HE3 LYS 27 OK 20 71 - 28 - 4862/1.8=6, 4208/3.8=5...(7) HD1 TRP 51 - HE3 LYS 27 OK 14 60 - 24 - 4862/1.8=4, 4210/3.0=4...(8) Peak 4864 from cnoeabs.peaks (7.07, 2.76, 42.40 ppm; 5.36 A): 1 out of 3 assignments used, quality = 0.88: QD PHE 23 + HE3 LYS 27 OK 88 96 - 92 - 2.2/4641=48, 3.8/4647=34...(10) HD2 HIS 10 - HE3 LYS 27 lone 3 100 - 3 - HD2 HIS 36 - HE3 LYS 27 lone 2 73 - 3 - Peak 4865 from cnoeabs.peaks (6.95, 2.76, 42.40 ppm; 5.28 A): 1 out of 3 assignments used, quality = 0.97: HZ PHE 23 + HE3 LYS 27 OK 97 100 - 98 - 4647=48, 2.2/4641=48...(13) HE3 TRP 51 - HE3 LYS 27 OK 14 87 - 17 - 4544/4864=5, 4203/6.0=4...(4) HE21 GLN 53 - HE3 LYS 27 lone 3 85 - 3 - Peak 4866 from cnoeabs.peaks (3.80, 4.55, 56.86 ppm; 4.01 A): 2 out of 4 assignments used, quality = 0.93: HD3 PRO 32 + HA SER 30 OK 87 100 - 88 - 1.8/4868=30, 4286/3.6=23...(15) HA ARG 34 + HA SER 30 OK 47 92 - 52 - ~4259=13, 4271/3.6=9...(10) HA GLN 15 - HA SER 30 lone 4 97 - 4 - 4867/3.0=1, 4266/3.0=1 HA THR 14 - HA SER 30 lone 3 99 - 3 - Peak 4867 from cnoeabs.peaks (3.80, 4.01, 64.90 ppm; 4.45 A): 2 out of 4 assignments used, quality = 0.96: HD3 PRO 32 + HB2 SER 30 OK 94 100 - 94 - 1.8/4291=44, ~4265=29...(13) HA ARG 34 + HB2 SER 30 OK 42 92 - 46 - 4266/1.8=13, 4866/3.0=12...(7) HA GLN 15 - HB2 SER 30 lone 6 97 - 6 - 4266/1.8=2, 4866/3.0=1 HA THR 14 - HB2 SER 30 lone 4 99 - 4 - 4266/1.8=1 Peak 4868 from cnoeabs.peaks (4.55, 3.91, 50.04 ppm; 4.60 A): 1 out of 1 assignment used, quality = 0.93: HA SER 30 + HD2 PRO 32 OK 93 100 - 93 - 3.0/4291=37, 3.0/4265=34...(14) Peak 4869 from cnoeabs.peaks (3.80, 0.96, 24.23 ppm; 4.75 A): 3 out of 5 assignments used, quality = 0.94: HA ARG 34 + QD1 LEU 37 OK 83 97 - 85 - 3740/3.1=26, 3742/3.1=25...(19) HD3 PRO 32 + QD1 LEU 37 OK 51 100 - 52 - 2.3/4791=10, 4290/2.1=9...(12) HA GLN 15 + QD1 LEU 37 OK 30 99 - 31 - 4446/4459=5, 3743/3.1=4...(12) HA ILE 50 - QD1 LEU 37 OK 21 68 - 30 - 3743/3.1=5, 3741/3.1=5...(8) HA THR 14 - QD1 LEU 37 OK 18 95 - 19 - 4446/4459=3, 4096/4805=2...(8) Peak 4871 from cnoeabs.peaks (1.47, 0.95, 23.79 ppm; 4.16 A): 3 out of 5 assignments used, quality = 0.84: HG LEU 43 + QG2 VAL 48 OK 72 100 - 72 - 2.1/4480=27, 3.0/4472=21...(11) HB3 LEU 29 + QG2 VAL 48 OK 33 97 - 34 - ~4581=17, ~4230=9...(5) QB ALA 35 + QG2 VAL 48 OK 12 92 - 13 - 4364/4576=3, 4364/4576=2...(5) HG3 LYS 58 - QG2 VAL 48 lone 6 89 - 6 - 2863/4.0=1 HG3 ARG 56 - QG2 VAL 48 lone 1 87 - 2 - Peak 4877 from cnoeabs.peaks (3.98, 2.84, 43.43 ppm; 5.45 A): 0 out of 6 assignments used, low quality = 0.00: HA LYS 42 - HD3 ARG 56 lone 9 100 - 9 - 3716/5.1=3, 2141/3.6=3, ~184=1 HA GLN 47 - HD3 ARG 56 lone 6 87 - 7 - 3714/5.1=3, 1057/6.3=1 HB3 SER 24 - HD3 ARG 56 lone 5 100 - 5 - 3716/5.1=3 HB2 SER 24 - HD3 ARG 56 lone 5 99 - 5 - 3716/5.1=3 HA ALA 35 - HD3 ARG 56 lone 4 100 - 4 - 3716/5.1=2 HB3 SER 12 - HD3 ARG 56 lone 2 63 - 4 - Peak 4881 from cnoeabs.peaks (1.27, 4.26, 56.50 ppm; 4.70 A): 0 out of 8 assignments used, low quality = 0.00: QG2 THR 59 - HA LYS 62 poor 9 80 - 12 - ~4681=10 QG2 THR 59 - HA LYS 60 lone 6 85 - 7 - ~4681=6 QG2 THR 46 - HA LYS 60 lone 3 73 - 4 - QG2 THR 46 - HA LYS 62 lone 2 69 - 3 - HG12 ILE 50 - HA LYS 60 lone 2 93 - 2 - HG12 ILE 50 - HA LYS 62 lone 2 89 - 2 - QG2 THR 44 - HA LYS 60 lone 2 99 - 2 - QG2 THR 44 - HA LYS 62 lone 1 95 - 2 - Peak 4886 from cnoeabs.peaks (1.84, 1.83, 32.76 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB2 LYS 60 + HB2 LYS 60 OK 100 100 - 100 HB2 LYS 62 + HB2 LYS 62 OK 93 93 - 100 Peak 4887 from cnoeabs.peaks (2.98, 1.83, 32.76 ppm; 5.49 A): 4 out of 4 assignments used, quality = 1.00: HE3 LYS 60 + HB2 LYS 60 OK 100 100 - 100 - 4.9=100 HE2 LYS 60 + HB2 LYS 60 OK 100 100 - 100 - 4.9=100 HE2 LYS 62 + HB2 LYS 62 OK 96 96 - 100 - 4.6=100 HE3 LYS 62 + HB2 LYS 62 OK 96 96 - 100 - 4.6=100 Peak 4890 from cnoeabs.peaks (1.72, 0.46, 23.31 ppm; 3.85 A): 2 out of 11 assignments used, quality = 0.97: HG2 LYS 22 + QD2 LEU 29 OK 91 100 - 91 - 4153=35, 1.8/4155=32...(15) HB3 LEU 37 + QD2 LEU 29 OK 68 89 - 77 - 4372/2.1=18, ~4376=16...(17) HD2 LYS 49 - QD2 LEU 29 lone 9 96 - 10 - 3.7/4234=3, ~4892=2...(4) HD3 LYS 49 - QD2 LEU 29 lone 9 95 - 10 - 3.7/4234=3, ~4892=2...(4) HG13 ILE 50 - QD2 LEU 29 poor 9 76 - 12 - 3.2/4232=5, ~4231=3, 4.0/4242=2 HB2 ARG 56 - QD2 LEU 29 lone 8 99 - 8 - 3.9/4250=3, 3.0/4241=2 HD2 LYS 42 - QD2 LEU 29 lone 2 100 - 2 - HD2 LYS 39 - QD2 LEU 29 lone 2 81 - 3 - HD3 LYS 39 - QD2 LEU 29 lone 2 81 - 3 - HB3 ARG 61 - QD2 LEU 29 lone 2 96 - 2 - HB3 LYS 58 - QD2 LEU 29 lone 1 90 - 1 - Peak 4891 from cnoeabs.peaks (1.83, 0.46, 23.31 ppm; 4.84 A): 2 out of 10 assignments used, quality = 0.97: HD2 LYS 22 + QD2 LEU 29 OK 93 96 - 98 - 4157=43, 1.8/4159=42...(11) HB3 ARG 34 + QD2 LEU 29 OK 59 63 - 95 - ~4325=29, 3.9/4315=28...(19) HB3 GLN 47 - QD2 LEU 29 OK 15 100 - 15 - 4553/3.1=3, 4.0/4255=2...(7) HB ILE 17 - QD2 LEU 29 lone 6 99 - 6 - HG2 ARG 21 - QD2 LEU 29 lone 4 63 - 6 - 3.9/4241=2 HB2 LYS 62 - QD2 LEU 29 lone 3 100 - 3 - HB2 ARG 61 - QD2 LEU 29 lone 3 83 - 4 - HB3 MET 11 - QD2 LEU 29 lone 3 100 - 3 - HB2 LYS 60 - QD2 LEU 29 lone 3 100 - 3 - HB2 LYS 58 - QD2 LEU 29 lone 1 60 - 2 - Peak 4892 from cnoeabs.peaks (1.57, 0.15, 26.45 ppm; 5.28 A): 2 out of 8 assignments used, quality = 0.99: HG LEU 37 + QD1 LEU 29 OK 92 96 - 97 - 2.1/4376=48, 2.1/4379=47...(15) HG3 ARG 34 + QD1 LEU 29 OK 92 93 - 98 - 4330=45, 4.0/4326=41...(18) HG2 LYS 49 - QD1 LEU 29 OK 43 100 - 43 - ~4585=5, 3.0/4229=5...(14) QB ALA 31 - QD1 LEU 29 OK 30 93 - 33 - 4283/4316=12, 3.8/4240=7...(6) HB3 LYS 27 - QD1 LEU 29 OK 10 96 - 11 - 4221/3.1=1, ~1602=1...(4) HG3 ARG 61 - QD1 LEU 29 lone 4 76 - 6 - HG2 ARG 61 - QD1 LEU 29 lone 4 73 - 6 - HG3 LYS 39 - QD1 LEU 29 lone 3 65 - 5 - Peak 4893 from cnoeabs.peaks (7.90, 4.08, 59.02 ppm; 4.20 A): 2 out of 6 assignments used, quality = 0.52: H LYS 42 + HA LYS 39 OK 44 99 - 45 - 4466=15, 4.6/3770=8...(12) H LYS 42 + HA GLU 33 OK 15 85 - 17 - 4466=6, 673/3.0=2...(4) H GLY 69 - HA GLU 33 lone 2 87 - 2 - H GLY 69 - HA LYS 39 lone 2 100 - 2 - H THR 14 - HA LYS 39 lone 1 83 - 2 - H THR 14 - HA GLU 33 lone 1 67 - 2 - Peak 4894 from cnoeabs.peaks (1.57, 0.72, 26.10 ppm; 3.63 A): 1 out of 10 assignments used, quality = 0.70: HG LEU 37 + QD1 LEU 41 OK 70 99 - 71 - 2.1/4377=19, 2.1/4458=13...(14) HG3 ARG 34 - QD1 LEU 41 lone 8 87 - 9 - 4.0/4454=3, ~4461=2, 4116/4816=1 HG3 LYS 39 - QD1 LEU 41 lone 5 76 - 7 - 5.0/4421=3, 3.9/4453=2 QB ALA 31 - QD1 LEU 41 lone 4 97 - 4 - 3.8/4454=2 HG2 LYS 49 - QD1 LEU 41 lone 2 100 - 2 - HB3 LYS 27 - QD1 LEU 41 lone 2 99 - 2 - HD3 LYS 58 - QD1 LEU 41 lone 1 63 - 2 - HD2 LYS 58 - QD1 LEU 41 lone 1 63 - 2 - HG3 ARG 61 - QD1 LEU 41 lone 1 65 - 1 - HG2 ARG 61 - QD1 LEU 41 lone 1 63 - 1 - Peak 4525 from aronoe.peaks (4.68, 7.07, 119.58 ppm; 4.39 A): 1 out of 3 assignments used, quality = 0.87: * HA HIS 10 + HD2 HIS 10 OK 87 100 - 87 - 4.6=87 HA HIS 25 - HD2 HIS 10 lone 1 92 - 1 - HA MET 11 - HD2 HIS 10 lone 1 71 - 1 - Peak 4526 from aronoe.peaks (3.21, 7.07, 119.58 ppm; 4.13 A): 1 out of 1 assignment used, quality = 1.00: * HB2 HIS 10 + HD2 HIS 10 OK 100 100 - 100 - 3.9=100 Peak 4527 from aronoe.peaks (3.09, 7.07, 119.58 ppm; 4.03 A): 1 out of 1 assignment used, quality = 0.93: * HB3 HIS 10 + HD2 HIS 10 OK 93 93 - 100 - 3.9=100 Peak 4528 from aronoe.peaks (7.07, 7.07, 119.58 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 HIS 10 + HD2 HIS 10 OK 100 100 - 100 Peak 4533 from aronoe.peaks (3.21, 7.12, 119.47 ppm; 3.89 A): 1 out of 7 assignments used, quality = 0.93: * HB2 HIS 13 + HD2 HIS 13 OK 93 99 - 94 - 4.0=94 HA VAL 16 - HD2 HIS 13 lone 9 92 - 10 - 3679/4624=3, 3.2/4046=3 HD3 ARG 21 - HD2 HIS 13 lone 2 76 - 3 - 4080/4624=2 HD2 ARG 21 - HD2 HIS 13 lone 2 93 - 2 - HB2 HIS 10 - HD2 HIS 13 lone 1 95 - 1 - HB3 HIS 36 - HD2 HIS 13 lone 1 71 - 1 - HB2 HIS 36 - HD2 HIS 13 lone 1 71 - 1 - Peak 4534 from aronoe.peaks (3.27, 7.12, 119.47 ppm; 3.99 A): 1 out of 1 assignment used, quality = 0.99: * HB3 HIS 13 + HD2 HIS 13 OK 99 99 - 100 - 4.0=100 Peak 4535 from aronoe.peaks (7.12, 7.12, 119.47 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: * HD2 HIS 13 + HD2 HIS 13 OK 99 99 - 100 Peak 4539 from aronoe.peaks (4.76, 7.06, 132.37 ppm; 3.33 A): 1 out of 2 assignments used, quality = 0.87: * HA PHE 23 + QD PHE 23 OK 87 100 - 88 - 3.7=71, 3.0/4633=16...(10) HB THR 44 - QD PHE 23 lone 5 65 - 7 - ~4503=5 Peak 4540 from aronoe.peaks (3.15, 7.06, 132.37 ppm; 3.06 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 23 + QD PHE 23 OK 100 100 - 100 - 2.4=100 Peak 4541 from aronoe.peaks (3.08, 7.06, 132.37 ppm; 3.11 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 23 + QD PHE 23 OK 100 100 - 100 - 2.4=100 Peak 4542 from aronoe.peaks (7.06, 7.06, 132.37 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD PHE 23 + QD PHE 23 OK 100 100 - 100 Peak 4543 from aronoe.peaks (7.17, 7.06, 132.37 ppm; 2.65 A): 1 out of 1 assignment used, quality = 1.00: * QE PHE 23 + QD PHE 23 OK 100 100 - 100 - 2.2=100 Peak 4544 from aronoe.peaks (6.95, 7.06, 132.37 ppm; 3.30 A): 2 out of 3 assignments used, quality = 0.85: * HZ PHE 23 + QD PHE 23 OK 74 100 - 74 - 3.8=65, 7.2/4539=5...(10) HE3 TRP 51 + QD PHE 23 OK 43 76 - 57 - 2.5/4637=23, 4.3/4636=13...(9) HE21 GLN 53 - QD PHE 23 lone 1 93 - 1 - Peak 4545 from aronoe.peaks (7.06, 7.17, 130.75 ppm; 2.81 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 23 + QE PHE 23 OK 100 100 - 100 - 2.2=100 Peak 4546 from aronoe.peaks (7.17, 7.17, 130.75 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE PHE 23 + QE PHE 23 OK 100 100 - 100 Peak 4547 from aronoe.peaks (6.95, 7.17, 130.75 ppm; 2.65 A): 1 out of 1 assignment used, quality = 1.00: * HZ PHE 23 + QE PHE 23 OK 100 100 - 100 - 2.2=100 Peak 4548 from aronoe.peaks (7.06, 6.95, 128.74 ppm; 3.79 A): 1 out of 3 assignments used, quality = 0.99: * QD PHE 23 + HZ PHE 23 OK 99 99 - 99 - 3.8=99 HD2 HIS 36 - HZ PHE 23 lone 2 94 - 2 - HD2 HIS 10 - HZ PHE 23 lone 2 97 - 2 - Peak 4549 from aronoe.peaks (7.17, 6.95, 128.74 ppm; 2.72 A): 1 out of 1 assignment used, quality = 0.99: * QE PHE 23 + HZ PHE 23 OK 99 99 - 100 - 2.2=100 Peak 4550 from aronoe.peaks (6.95, 6.95, 128.74 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: * HZ PHE 23 + HZ PHE 23 OK 99 99 - 100 Peak 4552 from aronoe.peaks (3.37, 7.31, 120.87 ppm; 4.04 A): 1 out of 1 assignment used, quality = 1.00: * HB2 HIS 25 + HD2 HIS 25 OK 100 100 - 100 - 3.9=100 Peak 4553 from aronoe.peaks (3.31, 7.31, 120.87 ppm; 4.21 A): 1 out of 1 assignment used, quality = 1.00: * HB3 HIS 25 + HD2 HIS 25 OK 100 100 - 100 - 3.9=100 Peak 4554 from aronoe.peaks (7.31, 7.31, 120.87 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 HIS 25 + HD2 HIS 25 OK 100 100 - 100 Peak 4558 from aronoe.peaks (4.72, 7.13, 133.55 ppm; 3.75 A): 1 out of 1 assignment used, quality = 1.00: * HA TYR 28 + QD TYR 28 OK 100 100 - 100 - 3.7=100 Peak 4559 from aronoe.peaks (2.95, 7.13, 133.55 ppm; 2.94 A): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 28 + QD TYR 28 OK 100 100 - 100 - 2.5=100 Peak 4560 from aronoe.peaks (2.72, 7.13, 133.55 ppm; 2.91 A): 1 out of 1 assignment used, quality = 1.00: * HB3 TYR 28 + QD TYR 28 OK 100 100 - 100 - 2.5=100 Peak 4561 from aronoe.peaks (7.13, 7.13, 133.55 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD TYR 28 + QD TYR 28 OK 100 100 - 100 Peak 4562 from aronoe.peaks (6.79, 7.13, 133.55 ppm; 2.42 A): 1 out of 1 assignment used, quality = 1.00: * QE TYR 28 + QD TYR 28 OK 100 100 - 100 - 2.2=100 Peak 4563 from aronoe.peaks (7.13, 6.79, 117.71 ppm; 2.47 A): 1 out of 1 assignment used, quality = 1.00: * QD TYR 28 + QE TYR 28 OK 100 100 - 100 - 2.2=100 Peak 4564 from aronoe.peaks (6.79, 6.79, 117.71 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE TYR 28 + QE TYR 28 OK 100 100 - 100 Peak 4566 from aronoe.peaks (3.19, 7.04, 119.63 ppm; 3.67 A): 2 out of 6 assignments used, quality = 0.96: * HB2 HIS 36 + HD2 HIS 36 OK 79 97 - 81 - 4.0=80, 636/5.9=5, 3735/4626=1 HB3 HIS 36 + HD2 HIS 36 OK 79 97 - 81 - 4.0=80, 636/5.9=5, 3735/4626=1 HD2 ARG 21 - HD2 HIS 36 lone 3 97 - 3 - 4.9/4626=1 HB2 HIS 10 - HD2 HIS 36 lone 1 96 - 1 - HB2 HIS 13 - HD2 HIS 36 lone 1 81 - 1 - HB3 TYR 57 - HD2 HIS 36 lone 1 62 - 1 - Peak 4567 from aronoe.peaks (3.19, 7.04, 119.63 ppm; 3.67 A): 2 out of 6 assignments used, quality = 0.96: HB2 HIS 36 + HD2 HIS 36 OK 80 98 - 81 - 4.0=80, 635/5.9=5, 3733/4626=1 * HB3 HIS 36 + HD2 HIS 36 OK 80 98 - 81 - 4.0=80, 635/5.9=5, 3733/4626=1 HD2 ARG 21 - HD2 HIS 36 lone 3 94 - 3 - 4.9/4626=1 HB2 HIS 10 - HD2 HIS 36 lone 1 93 - 1 - HB2 HIS 13 - HD2 HIS 36 lone 1 74 - 1 - HB3 TYR 57 - HD2 HIS 36 lone 1 70 - 1 - Peak 4568 from aronoe.peaks (7.04, 7.04, 119.63 ppm; diagonal): 1 out of 1 assignment used, quality = 0.98: * HD2 HIS 36 + HD2 HIS 36 OK 98 98 - 100 Peak 4572 from aronoe.peaks (4.01, 7.14, 127.06 ppm; 3.94 A): 1 out of 2 assignments used, quality = 0.87: * HA TRP 51 + HD1 TRP 51 OK 87 99 - 88 - 4.5=68, 3.0/4574=32...(4) HB2 SER 30 - HD1 TRP 51 lone 1 100 - 1 - Peak 4573 from aronoe.peaks (3.50, 7.14, 127.06 ppm; 3.82 A): 1 out of 2 assignments used, quality = 0.98: * HB2 TRP 51 + HD1 TRP 51 OK 98 100 - 98 - 3.9=94, 1.8/4574=40...(6) HB3 PHE 52 - HD1 TRP 51 lone 4 64 - 6 - 734/5.9=3, 1.8/4574=2 Peak 4574 from aronoe.peaks (3.29, 7.14, 127.06 ppm; 3.27 A): 1 out of 5 assignments used, quality = 0.79: * HB3 TRP 51 + HD1 TRP 51 OK 79 100 - 80 - 3.9=59, 1.8/4573=26...(6) HB2 PHE 52 - HD1 TRP 51 lone 4 87 - 5 - 735/5.9=2, 4115/4719=1 HD3 ARG 34 - HD1 TRP 51 lone 2 77 - 3 - 3.6/4615=1 HB3 HIS 13 - HD1 TRP 51 lone 1 84 - 1 - HB3 HIS 25 - HD1 TRP 51 lone 1 89 - 1 - Peak 4575 from aronoe.peaks (7.14, 7.14, 127.06 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD1 TRP 51 + HD1 TRP 51 OK 100 100 - 100 Peak 4577 from aronoe.peaks (9.95, 7.14, 127.06 ppm; 2.82 A): 1 out of 1 assignment used, quality = 1.00: * HE1 TRP 51 + HD1 TRP 51 OK 100 100 - 100 - 2.6=100 Peak 4582 from aronoe.peaks (6.97, 6.97, 121.06 ppm; diagonal): 1 out of 1 assignment used, quality = 0.97: * HE3 TRP 51 + HE3 TRP 51 OK 97 97 - 100 Peak 4584 from aronoe.peaks (5.72, 6.97, 121.06 ppm; 3.69 A): 1 out of 1 assignment used, quality = 0.97: * HZ3 TRP 51 + HE3 TRP 51 OK 97 97 - 100 - 2.5=100 Peak 4588 from aronoe.peaks (6.97, 5.72, 120.81 ppm; 3.86 A): 1 out of 1 assignment used, quality = 1.00: * HE3 TRP 51 + HZ3 TRP 51 OK 100 100 - 100 - 2.5=100 Peak 4590 from aronoe.peaks (5.72, 5.72, 120.81 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HZ3 TRP 51 + HZ3 TRP 51 OK 100 100 - 100 Peak 4592 from aronoe.peaks (6.44, 5.72, 120.81 ppm; 4.75 A): 1 out of 1 assignment used, quality = 1.00: * HH2 TRP 51 + HZ3 TRP 51 OK 100 100 - 100 - 2.4=100 Peak 4595 from aronoe.peaks (9.95, 7.25, 114.03 ppm; 3.23 A): 1 out of 1 assignment used, quality = 0.99: * HE1 TRP 51 + HZ2 TRP 51 OK 99 99 - 100 - 2.8=100 Peak 4596 from aronoe.peaks (5.72, 7.25, 114.03 ppm; 4.81 A): 1 out of 1 assignment used, quality = 0.99: * HZ3 TRP 51 + HZ2 TRP 51 OK 99 99 - 100 - 4.3=100 Peak 4597 from aronoe.peaks (7.25, 7.25, 114.03 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: * HZ2 TRP 51 + HZ2 TRP 51 OK 99 99 - 100 Peak 4598 from aronoe.peaks (6.44, 7.25, 114.03 ppm; 3.16 A): 1 out of 1 assignment used, quality = 0.99: * HH2 TRP 51 + HZ2 TRP 51 OK 99 99 - 100 - 2.5=100 Peak 4602 from aronoe.peaks (5.72, 6.44, 123.43 ppm; 3.52 A): 1 out of 1 assignment used, quality = 0.99: * HZ3 TRP 51 + HH2 TRP 51 OK 99 99 - 100 - 2.4=100 Peak 4603 from aronoe.peaks (7.25, 6.44, 123.43 ppm; 3.19 A): 1 out of 1 assignment used, quality = 1.00: * HZ2 TRP 51 + HH2 TRP 51 OK 100 100 - 100 - 2.5=100 Peak 4604 from aronoe.peaks (6.44, 6.44, 123.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HH2 TRP 51 + HH2 TRP 51 OK 100 100 - 100 Peak 4605 from aronoe.peaks (3.76, 7.75, 131.45 ppm; 4.48 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 52 + QD PHE 52 OK 100 100 - 100 - 3.7=100 Peak 4606 from aronoe.peaks (3.27, 7.75, 131.45 ppm; 4.02 A): 1 out of 1 assignment used, quality = 0.99: * HB2 PHE 52 + QD PHE 52 OK 99 99 - 100 - 2.5=100 Peak 4607 from aronoe.peaks (3.53, 7.75, 131.45 ppm; 4.15 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 52 + QD PHE 52 OK 100 100 - 100 - 2.5=100 Peak 4608 from aronoe.peaks (7.75, 7.75, 131.45 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD PHE 52 + QD PHE 52 OK 100 100 - 100 Peak 4609 from aronoe.peaks (7.53, 7.75, 131.45 ppm; 3.80 A): 1 out of 1 assignment used, quality = 1.00: * QE PHE 52 + QD PHE 52 OK 100 100 - 100 - 2.2=100 Peak 4610 from aronoe.peaks (7.18, 7.75, 131.45 ppm; 4.57 A): 1 out of 1 assignment used, quality = 1.00: * HZ PHE 52 + QD PHE 52 OK 100 100 - 100 - 3.8=100 Peak 4611 from aronoe.peaks (7.75, 7.53, 131.87 ppm; 3.08 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 52 + QE PHE 52 OK 100 100 - 100 - 2.2=100 Peak 4612 from aronoe.peaks (7.53, 7.53, 131.87 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE PHE 52 + QE PHE 52 OK 100 100 - 100 Peak 4613 from aronoe.peaks (7.18, 7.53, 131.87 ppm; 3.12 A): 1 out of 1 assignment used, quality = 1.00: * HZ PHE 52 + QE PHE 52 OK 100 100 - 100 - 2.2=100 Peak 4614 from aronoe.peaks (4.44, 7.15, 132.89 ppm; 3.01 A): 1 out of 3 assignments used, quality = 0.70: * HA TYR 57 + QD TYR 57 OK 70 100 - 71 - 3.7=52, 3.0/783=12...(7) HA SER 65 - QD TYR 57 lone 0 100 - 0 - HA SER 66 - QD TYR 57 lone 0 94 - 0 - Peak 4615 from aronoe.peaks (3.09, 7.15, 132.89 ppm; 3.05 A): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 57 + QD TYR 57 OK 100 100 - 100 - 2.5=100 Peak 4616 from aronoe.peaks (3.17, 7.15, 132.89 ppm; 2.96 A): 1 out of 1 assignment used, quality = 1.00: * HB3 TYR 57 + QD TYR 57 OK 100 100 - 100 - 2.5=100 Peak 4617 from aronoe.peaks (7.15, 7.15, 132.89 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD TYR 57 + QD TYR 57 OK 100 100 - 100 Peak 4618 from aronoe.peaks (6.82, 7.15, 132.89 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * QE TYR 57 + QD TYR 57 OK 100 100 - 100 - 2.2=100 Peak 4619 from aronoe.peaks (7.15, 6.82, 117.88 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * QD TYR 57 + QE TYR 57 OK 100 100 - 100 - 2.2=100 Peak 4620 from aronoe.peaks (6.81, 6.82, 117.88 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE TYR 57 + QE TYR 57 OK 100 100 - 100 Peak 4621 from aronoe.peaks (1.39, 7.12, 119.47 ppm; 4.63 A): 1 out of 3 assignments used, quality = 0.59: HG13 ILE 17 + HD2 HIS 13 OK 59 95 - 62 - 1.8/4623=38, 2.1/4624=38 HG3 LYS 49 - HD2 HIS 13 lone 1 95 - 2 - HG2 LYS 58 - HD2 HIS 13 lone 1 63 - 2 - Peak 4622 from aronoe.peaks (1.21, 7.12, 119.47 ppm; 4.64 A): 0 out of 5 assignments used, low quality = 0.29: QG2 THR 14 - HD2 HIS 13 OK 29 98 - 30 - 4745=20, 4079/4624=10 HG LEU 19 - HD2 HIS 13 lone 5 63 - 7 - 3.0/4705=4, 4112/4.0=1 HD2 LYS 27 - HD2 HIS 13 lone 3 86 - 4 - 3.8/4206=1 HB2 LEU 43 - HD2 HIS 13 lone 3 93 - 3 - 4079/4624=1 HB2 LEU 29 - HD2 HIS 13 lone 1 58 - 2 - Peak 4623 from aronoe.peaks (1.07, 7.12, 119.47 ppm; 4.73 A): 1 out of 1 assignment used, quality = 0.56: HG12 ILE 17 + HD2 HIS 13 OK 56 88 - 64 - 1.8/4621=39, 2.1/4624=39 Peak 4624 from aronoe.peaks (0.69, 7.12, 119.47 ppm; 4.03 A): 1 out of 3 assignments used, quality = 0.61: QD1 ILE 17 + HD2 HIS 13 OK 61 96 - 64 - 2.1/4623=27, 2.1/4621=27...(5) HB2 LEU 19 - HD2 HIS 13 lone 6 84 - 7 - 3.0/4622=3, 3680/4.0=1 QD1 LEU 41 - HD2 HIS 13 lone 2 60 - 3 - 4011/4622=2 Peak 4626 from aronoe.peaks (4.07, 7.04, 119.63 ppm; 4.21 A): 0 out of 8 assignments used, low quality = 0.38: HA LYS 39 - HD2 HIS 36 OK 20 94 - 21 - 3733/4.0=9, 3733/4.0=9 HA GLU 33 - HD2 HIS 36 OK 13 98 - 13 - 3733/4.0=5, 3733/4.0=5 HA LEU 37 - HD2 HIS 36 OK 11 92 - 12 - 3734/4.0=4, 3734/4.0=4 HA ARG 21 - HD2 HIS 36 lone 6 98 - 6 - 1354/4.0=2, 1354/4.0=2 HA SER 24 - HD2 HIS 36 lone 4 97 - 4 - 4178=2 HA ARG 56 - HD2 HIS 36 lone 3 96 - 3 - HB THR 46 - HD2 HIS 36 lone 2 92 - 2 - HB THR 14 - HD2 HIS 36 lone 1 62 - 2 - Peak 4627 from aronoe.peaks (4.22, 7.06, 132.37 ppm; 4.35 A): 4 out of 5 assignments used, quality = 0.91: HA GLU 20 + QD PHE 23 OK 85 100 - 85 - 3707/2.4=37, 3709/2.4=35...(9) HB3 SER 30 + QD PHE 23 OK 24 100 - 23 - 3708/2.4=6, 3710/2.4=6...(5) HA ALA 31 + QD PHE 23 OK 15 96 - 16 - 3708/2.4=4, 3710/2.4=4...(5) HA GLU 18 + QD PHE 23 OK 15 60 - 24 - 3.0/4630=4, 3708/2.4=4...(11) HA ARG 61 - QD PHE 23 lone 6 83 - 7 - 3708/2.4=2, 3710/2.4=1...(4) Peak 4628 from aronoe.peaks (4.08, 7.06, 132.37 ppm; 4.19 A): 3 out of 8 assignments used, quality = 0.92: HA SER 24 + QD PHE 23 OK 69 100 - 70 - 4178=32, ~78=16, ~79=15...(8) HA ARG 56 + QD PHE 23 OK 69 100 - 69 - 4674/3.8=22, 4638/2.2=22...(9) HB THR 46 + QD PHE 23 OK 15 78 - 19 - 3.0/4629=5, 4800/3.7=4...(7) HA ARG 21 - QD PHE 23 lone 9 97 - 9 - 3713/4.4=4, 4674/3.8=2 HA LYS 58 - QD PHE 23 poor 8 68 - 12 - 4638/2.2=4, ~4645=4, 4640/3.8=2 HA GLU 33 - QD PHE 23 lone 4 97 - 4 - 4638/2.2=1 HA LYS 39 - QD PHE 23 lone 4 100 - 3 - 4638/2.2=1 HA LEU 37 - QD PHE 23 lone 3 78 - 4 - ~4645=2 Peak 4629 from aronoe.peaks (3.90, 7.06, 132.37 ppm; 3.65 A): 2 out of 5 assignments used, quality = 0.79: HA LYS 27 + QD PHE 23 OK 76 100 - 76 - 4202=35, 4639/2.2=27...(13) HA THR 46 + QD PHE 23 OK 13 99 - 12 - 4639/2.2=4, 2.9/4632=3...(5) HD2 PRO 32 - QD PHE 23 lone 5 92 - 5 - 3.8/4627=2, 4265/4627=1 HB3 SER 65 - QD PHE 23 lone 1 60 - 1 - HB3 SER 66 - QD PHE 23 lone 1 57 - 1 - Peak 4630 from aronoe.peaks (7.53, 7.06, 132.37 ppm; 3.40 A): 3 out of 5 assignments used, quality = 0.83: QE PHE 52 + QD PHE 23 OK 78 100 - 78 - 4700=32, 2.2/4631=19...(12) H TYR 28 + QD PHE 23 OK 13 60 - 22 - 3.6/4202=17, 4.6/4632=4 H GLU 18 + QD PHE 23 OK 10 83 - 12 - 4746/2.4=3, 4634/2.2=2...(6) HE21 GLN 63 - QD PHE 23 lone 5 100 - 4 - 4746/2.4=1, 4747/2.4=1 H GLN 15 - QD PHE 23 lone 1 71 - 1 - Peak 4631 from aronoe.peaks (7.76, 7.06, 132.37 ppm; 3.60 A): 2 out of 2 assignments used, quality = 0.81: QD PHE 52 + QD PHE 23 OK 69 95 - 73 - 2.2/4700=28, 4698=22...(10) H ARG 56 + QD PHE 23 OK 40 95 - 42 - 4635/2.2=13, 3.0/4628=9...(7) Peak 4632 from aronoe.peaks (8.13, 7.06, 132.37 ppm; 4.28 A): 2 out of 5 assignments used, quality = 1.00: H SER 24 + QD PHE 23 OK 99 100 - 99 - 4.4=92, 78/2.4=33...(8) H LYS 27 + QD PHE 23 OK 69 97 - 71 - 3.0/4202=31, ~4639=17...(11) H THR 46 - QD PHE 23 OK 26 96 - 27 - 4799/3.7=5, 2.9/4629=5...(8) H LEU 68 - QD PHE 23 lone 8 96 - 8 - 3408/2.4=2, 3409/2.4=2...(5) H ALA 35 - QD PHE 23 lone 7 81 - 8 - 875/4.6=2, 3408/2.4=1 Peak 4633 from aronoe.peaks (8.99, 7.06, 132.37 ppm; 4.22 A): 1 out of 2 assignments used, quality = 0.97: H PHE 23 + QD PHE 23 OK 97 100 - 97 - 4.6=79, 3.0/4539=37...(8) H SER 30 - QD PHE 23 OK 18 95 - 19 - 1500/2.4=5, 1506/2.4=5...(4) Peak 4634 from aronoe.peaks (7.54, 7.17, 130.75 ppm; 4.13 A): 3 out of 4 assignments used, quality = 0.87: QE PHE 52 + QE PHE 23 OK 76 91 - 84 - 4700/2.2=30, ~4698=19...(17) H TYR 57 + QE PHE 23 OK 36 82 - 44 - 3.6/4638=17, 4.6/4645=12...(5) H GLU 18 + QE PHE 23 OK 15 98 - 15 - 4630/2.2=4, 4746/4.4=3...(4) HE21 GLN 63 - QE PHE 23 lone 6 95 - 6 - 4630/2.2=2, 4746/4.4=1 Peak 4635 from aronoe.peaks (7.75, 7.17, 130.75 ppm; 3.96 A): 2 out of 3 assignments used, quality = 0.96: H ARG 56 + QE PHE 23 OK 85 100 - 85 - 4.6/4643=19, 3.0/4638=18...(16) QD PHE 52 + QE PHE 23 OK 76 100 - 77 - 4698/2.2=26, ~4700=20...(12) H THR 59 - QE PHE 23 OK 13 72 - 18 - 4.0/4503=9, 4.6/4645=4 Peak 4636 from aronoe.peaks (6.45, 7.06, 132.37 ppm; 4.34 A): 1 out of 1 assignment used, quality = 0.89: HH2 TRP 51 + QD PHE 23 OK 89 99 - 89 - 2.4/4637=38, 4721/2.4=35...(10) Peak 4637 from aronoe.peaks (5.74, 7.06, 132.37 ppm; 3.95 A): 1 out of 1 assignment used, quality = 0.71: HZ3 TRP 51 + QD PHE 23 OK 71 85 - 84 - 4167/2.4=29, 2.4/4636=29...(10) Peak 4638 from aronoe.peaks (4.09, 7.17, 130.75 ppm; 3.77 A): 3 out of 6 assignments used, quality = 0.85: HA ARG 56 + QE PHE 23 OK 77 95 - 81 - 4640/2.2=25, 3.8/4643=22...(12) HA SER 24 + QE PHE 23 OK 27 92 - 29 - 4178/2.2=19, ~4632=7, 4640/2.2=6 HA LYS 58 + QE PHE 23 OK 14 89 - 15 - 3.0/4645=5, 4640/2.2=3...(5) HA ARG 21 - QE PHE 23 lone 6 80 - 7 - 4674/2.2=2, 4673=2, 4628/2.2=1 HA GLU 33 - QE PHE 23 lone 4 82 - 5 - 4.0/4643=1, 4640/2.2=1 HA LYS 39 - QE PHE 23 lone 4 97 - 4 - 4640/2.2=1 Peak 4639 from aronoe.peaks (3.90, 7.17, 130.75 ppm; 3.75 A): 2 out of 5 assignments used, quality = 0.82: HA LYS 27 + QE PHE 23 OK 79 98 - 81 - 4202/2.2=29, 4203/2.2=17...(15) HA THR 46 + QE PHE 23 OK 12 98 - 12 - 4629/2.2=5, ~4632=2...(4) HD2 PRO 32 - QE PHE 23 lone 3 88 - 3 - 4629/2.2=2 HB3 SER 65 - QE PHE 23 lone 1 64 - 1 - HB3 SER 66 - QE PHE 23 lone 1 62 - 1 - Peak 4640 from aronoe.peaks (4.09, 6.95, 128.74 ppm; 3.40 A): 2 out of 6 assignments used, quality = 0.65: HA ARG 56 + HZ PHE 23 OK 60 90 - 67 - 4674=26, 4638/2.2=16...(10) HA SER 24 + HZ PHE 23 OK 14 87 - 16 - 4178/3.8=10, 4638/2.2=6 HA LYS 58 - HZ PHE 23 lone 8 93 - 8 - 4638/2.2=3, ~4645=2, 4.0/4649=1 HA ARG 21 - HZ PHE 23 lone 4 71 - 6 - 4674=2, 4638/2.2=1 HA LYS 39 - HZ PHE 23 lone 3 93 - 3 - HA GLU 33 - HZ PHE 23 lone 2 74 - 3 - 4.0/4648=1 Peak 4641 from aronoe.peaks (2.76, 7.17, 130.75 ppm; 3.83 A): 1 out of 2 assignments used, quality = 0.84: HE3 LYS 27 + QE PHE 23 OK 84 100 - 84 - 3.0/4652=24, 4647/2.2=24...(14) HB2 ASN 40 - QE PHE 23 lone 2 100 - 2 - Peak 4642 from aronoe.peaks (2.85, 7.17, 130.75 ppm; 4.38 A): 2 out of 4 assignments used, quality = 0.97: HE2 LYS 27 + QE PHE 23 OK 83 88 - 94 - 1.8/4641=44, 3.0/4652=30...(15) HD3 ARG 56 + QE PHE 23 OK 81 97 - 84 - 3.0/4643=34, 3.0/4646=26...(10) HE3 LYS 58 - QE PHE 23 poor 9 88 - 10 - 4.7/4645=4, 3.9/4646=3 HE2 LYS 58 - QE PHE 23 poor 9 88 - 10 - 4.7/4645=4, 3.9/4646=3 Peak 4643 from aronoe.peaks (2.21, 7.17, 130.75 ppm; 3.61 A): 1 out of 3 assignments used, quality = 0.73: HG2 ARG 56 + QE PHE 23 OK 73 95 - 77 - 1.8/4646=26, 4648/2.2=20...(11) HB3 GLN 53 - QE PHE 23 lone 5 98 - 5 - 4648/2.2=2 HG3 GLU 33 - QE PHE 23 lone 4 75 - 5 - 4648/2.2=2 Peak 4644 from aronoe.peaks (2.03, 7.17, 130.75 ppm; 4.36 A): 2 out of 7 assignments used, quality = 0.95: HB3 ARG 56 + QE PHE 23 OK 92 99 - 93 - 3.0/4643=34, 3.0/4646=26...(15) HB2 LYS 22 + QE PHE 23 OK 33 72 - 45 - 1.8/4142=13, 4141=11...(5) HB3 GLU 20 - QE PHE 23 OK 31 98 - 32 - ~4130=16, ~4627=11, 1.8/4162=6 HB3 GLN 26 - QE PHE 23 lone 6 97 - 7 - 3.0/4859=2, 3.0/4859=2 HB2 GLN 26 - QE PHE 23 lone 6 97 - 7 - 3.0/4859=2, 3.0/4859=2 HB2 GLU 45 - QE PHE 23 lone 2 95 - 2 - HB3 GLU 45 - QE PHE 23 lone 2 92 - 2 - Peak 4645 from aronoe.peaks (1.75, 7.17, 130.75 ppm; 4.49 A): 2 out of 6 assignments used, quality = 0.63: HB2 ARG 56 + QE PHE 23 OK 55 59 - 94 - 3.0/4643=35, 3.0/4646=27...(16) HB3 LYS 58 + QE PHE 23 OK 18 84 - 22 - 2.8/4646=4, 3.0/4638=4...(9) HB3 LEU 37 - QE PHE 23 lone 8 86 - 10 - 3.1/4392=5, 4372/4249=2 HB3 LYS 62 - QE PHE 23 lone 3 70 - 4 - HB3 ARG 61 - QE PHE 23 lone 2 75 - 3 - HB3 LYS 60 - QE PHE 23 lone 2 62 - 3 - Peak 4646 from aronoe.peaks (1.46, 7.17, 130.75 ppm; 3.29 A): 3 out of 9 assignments used, quality = 0.74: HG3 ARG 56 + QE PHE 23 OK 67 100 - 68 - 1.8/4643=27, 4649/2.2=15...(9) HB3 LEU 29 + QE PHE 23 OK 12 99 - 12 - 3.1/4249=4, 3.1/4254=4...(4) HG3 LYS 58 + QE PHE 23 OK 10 100 - 10 - 2.8/4645=4, 4649/2.2=2 HG LEU 43 - QE PHE 23 poor 9 91 - 10 - 2.1/4653=3, 4649/2.2=2...(4) HG2 LYS 62 - QE PHE 23 lone 2 75 - 2 - HG3 LYS 62 - QE PHE 23 lone 2 75 - 2 - HB3 LEU 41 - QE PHE 23 lone 1 59 - 2 - HG2 LYS 39 - QE PHE 23 lone 1 67 - 2 - HG3 LYS 60 - QE PHE 23 lone 1 59 - 2 - Peak 4647 from aronoe.peaks (2.77, 6.95, 128.74 ppm; 4.63 A): 1 out of 2 assignments used, quality = 0.93: HE3 LYS 27 + HZ PHE 23 OK 93 99 - 94 - 4641/2.2=43, 4865=28...(13) HB2 ASN 40 - HZ PHE 23 lone 3 99 - 3 - 4641/2.2=1 Peak 4648 from aronoe.peaks (2.22, 6.95, 128.74 ppm; 4.29 A): 1 out of 4 assignments used, quality = 0.61: HG2 ARG 56 + HZ PHE 23 OK 61 74 - 83 - 4643/2.2=35, 1.8/4649=26...(9) HB3 GLN 53 - HZ PHE 23 lone 6 99 - 6 - 4643/2.2=2 HG3 GLU 33 - HZ PHE 23 lone 5 94 - 5 - 4643/2.2=2, 4304/8.2=1 HG3 GLU 67 - HZ PHE 23 lone 1 71 - 1 - Peak 4649 from aronoe.peaks (1.45, 6.95, 128.74 ppm; 3.94 A): 4 out of 10 assignments used, quality = 0.88: HG3 ARG 56 + HZ PHE 23 OK 82 99 - 84 - 1.8/4648=27, 4646/2.2=26...(10) HB3 LEU 29 + HZ PHE 23 OK 15 94 - 16 - 4646/2.2=5, ~4249=4...(4) HG3 LYS 58 + HZ PHE 23 OK 11 99 - 11 - 4646/2.2=4, ~4645=3...(4) HG LEU 43 + HZ PHE 23 OK 11 76 - 14 - 2.1/4658=4, 4646/2.2=4...(4) HG2 LYS 62 - HZ PHE 23 lone 3 88 - 3 - HG3 LYS 62 - HZ PHE 23 lone 3 88 - 3 - HB3 LEU 41 - HZ PHE 23 lone 3 76 - 4 - HG2 LYS 39 - HZ PHE 23 lone 2 83 - 3 - HG2 LYS 60 - HZ PHE 23 lone 2 74 - 2 - HG3 LYS 60 - HZ PHE 23 lone 2 76 - 2 - Peak 4650 from aronoe.peaks (0.66, 7.06, 132.37 ppm; 4.36 A): 3 out of 3 assignments used, quality = 0.81: HB2 ARG 55 + QD PHE 23 OK 55 98 - 56 - 1.8/4651=17, 4835/2.2=16...(7) HG2 LYS 27 + QD PHE 23 OK 51 65 - 78 - 3.7/4202=28, 4653/2.2=18...(13) QD1 LEU 43 + QD PHE 23 OK 17 100 - 17 - 4653/2.2=4, ~4646=3...(6) Peak 4651 from aronoe.peaks (-0.29, 7.06, 132.37 ppm; 4.24 A): 3 out of 3 assignments used, quality = 0.81: HB3 ARG 55 + QD PHE 23 OK 52 93 - 55 - 1.8/4650=16, 4654/2.2=13...(9) HG2 ARG 55 + QD PHE 23 OK 46 98 - 47 - 3.0/4650=13, 4654/2.2=12...(8) QD1 LEU 19 + QD PHE 23 OK 27 96 - 28 - 4654/2.2=11, ~4100=6...(6) Peak 4652 from aronoe.peaks (1.32, 7.17, 130.75 ppm; 3.73 A): 2 out of 5 assignments used, quality = 0.75: HD3 LYS 27 + QE PHE 23 OK 72 86 - 84 - 3.0/4641=27, 4656/2.2=17...(15) QG2 THR 59 + QE PHE 23 OK 11 77 - 15 - 4656/2.2=7, 4503=5...(4) HG2 ARG 34 - QE PHE 23 lone 2 67 - 3 - QB ALA 38 - QE PHE 23 lone 2 59 - 3 - HG12 ILE 50 - QE PHE 23 lone 1 64 - 2 - 4656/2.2=1 Peak 4653 from aronoe.peaks (0.64, 7.17, 130.75 ppm; 3.87 A): 3 out of 3 assignments used, quality = 0.93: HG2 LYS 27 + QE PHE 23 OK 83 95 - 88 - 2.9/4652=25, 3.8/4641=23...(16) HB2 ARG 55 + QE PHE 23 OK 52 99 - 53 - 1.8/4654=13, 4835=12...(8) QD1 LEU 43 + QE PHE 23 OK 20 96 - 21 - 4658/2.2=4, 2.1/4646=4...(7) Peak 4654 from aronoe.peaks (-0.30, 7.17, 130.75 ppm; 4.13 A): 3 out of 3 assignments used, quality = 0.73: HB3 ARG 55 + QE PHE 23 OK 39 80 - 49 - 1.8/4835=14, 4651/2.2=14...(7) HG2 ARG 55 + QE PHE 23 OK 35 89 - 39 - 3.0/4835=13, 4651/2.2=12...(6) QD1 LEU 19 + QE PHE 23 OK 31 84 - 37 - 2.1/4100=9, ~4101=8...(9) Peak 4655 from aronoe.peaks (-0.41, 7.17, 130.75 ppm; 4.29 A): 0 out of 0 assignments used, low quality = 0.00: Peak 4656 from aronoe.peaks (1.30, 6.95, 128.74 ppm; 3.85 A): 3 out of 4 assignments used, quality = 0.66: HD3 LYS 27 + HZ PHE 23 OK 50 58 - 86 - 4652/2.2=27, 3.0/4647=22...(15) QG2 THR 59 + HZ PHE 23 OK 20 95 - 21 - 4504=10, 4503/2.2=9, 4838/4674=3 QG2 THR 44 + HZ PHE 23 OK 14 76 - 19 - 4504=10, 4503/2.2=8, 4838/4674=2 HG12 ILE 50 - HZ PHE 23 lone 3 88 - 4 - 4.0/4594=2 Peak 4657 from aronoe.peaks (1.23, 6.95, 128.74 ppm; 4.37 A): 2 out of 6 assignments used, quality = 0.94: HD2 LYS 27 + HZ PHE 23 OK 91 99 - 92 - 3.0/4647=28, 1.8/4656=25...(15) HG LEU 19 + HZ PHE 23 OK 28 91 - 30 - 2.1/4101=12, ~4654=7...(5) HB2 LEU 29 - HZ PHE 23 OK 18 88 - 20 - ~4249=5, 1.8/4649=5...(5) HB2 LEU 43 - HZ PHE 23 OK 15 99 - 14 - 3.1/4658=4, 3.0/4649=3...(4) QG2 THR 46 - HZ PHE 23 lone 6 71 - 8 - ~4639=3, ~4164=2, 2.1/4173=2 QG2 THR 14 - HZ PHE 23 lone 1 83 - 1 - Peak 4658 from aronoe.peaks (0.64, 6.95, 128.74 ppm; 4.34 A): 3 out of 3 assignments used, quality = 0.91: HG2 LYS 27 + HZ PHE 23 OK 85 99 - 86 - 3.8/4647=23, 4653/2.2=21...(13) HB2 ARG 55 + HZ PHE 23 OK 29 93 - 31 - 4835/2.2=15, ~4654=10...(4) QD1 LEU 43 + HZ PHE 23 OK 19 85 - 22 - 4653/2.2=5, 4478/4101=4...(8) Peak 4659 from aronoe.peaks (4.36, 7.31, 120.87 ppm; 4.49 A): 2 out of 9 assignments used, quality = 0.67: HA LYS 22 + HD2 HIS 25 OK 62 98 - 64 - 4146=30, 4161/3.9=23...(5) HA LEU 68 + HD2 HIS 25 OK 14 100 - 14 - 3.0/4660=7, 4180/3.9=2...(4) HA ASN 54 - HD2 HIS 25 lone 6 100 - 6 - 4180/3.9=2, 4181/3.9=2 HA LEU 41 - HD2 HIS 25 lone 5 83 - 6 - 4180/3.9=2, 4181/3.9=2 HA ASN 40 - HD2 HIS 25 lone 4 96 - 4 - HB2 SER 12 - HD2 HIS 25 lone 3 93 - 3 - HA LEU 64 - HD2 HIS 25 lone 3 93 - 3 - HA PRO 32 - HD2 HIS 25 lone 2 81 - 3 - HA HIS 13 - HD2 HIS 25 lone 2 92 - 2 - Peak 4660 from aronoe.peaks (8.15, 7.31, 120.87 ppm; 4.76 A): 0 out of 5 assignments used, low quality = 0.00: H THR 46 - HD2 HIS 25 lone 9 96 - 10 - 4.6/4661=4, 4.6/4661=4 H SER 24 - HD2 HIS 25 poor 8 65 - 12 - 876/6.0=9, 967/4146=2 H LEU 68 - HD2 HIS 25 lone 7 96 - 7 - 3.0/4659=5 H ALA 35 - HD2 HIS 25 lone 3 100 - 3 - H ARG 61 - HD2 HIS 25 lone 1 87 - 2 - Peak 4661 from aronoe.peaks (2.05, 7.31, 120.87 ppm; 4.44 A): 0 out of 10 assignments used, low quality = 0.24: HB2 LYS 22 - HD2 HIS 25 OK 24 99 - 24 - 3.0/4146=23 HB3 GLU 45 - HD2 HIS 25 lone 8 100 - 8 - 4.6/4660=7 HB2 GLU 45 - HD2 HIS 25 lone 8 100 - 8 - 4.6/4660=7 HB3 GLN 26 - HD2 HIS 25 lone 6 68 - 9 - 4187/4.6=6, 1579/6.0=2 HB2 GLN 26 - HD2 HIS 25 lone 6 68 - 9 - 4187/4.6=6, 1579/6.0=2 HG3 GLU 45 - HD2 HIS 25 lone 2 76 - 3 - HB3 ARG 56 - HD2 HIS 25 lone 1 96 - 2 - HB3 GLU 20 - HD2 HIS 25 lone 1 99 - 1 - HB VAL 16 - HD2 HIS 25 lone 1 68 - 2 - HB2 GLN 63 - HD2 HIS 25 lone 1 60 - 1 - Peak 4662 from aronoe.peaks (7.51, 7.13, 133.55 ppm; 3.53 A): 1 out of 6 assignments used, quality = 0.71: H TYR 28 + QD TYR 28 OK 71 98 - 73 - 4.5=47, 3.0/1691=25...(5) H GLN 15 - QD TYR 28 lone 7 100 - 7 - 4.0/4745=6 QE PHE 52 - QD TYR 28 lone 2 89 - 2 - 879/4663=1 HD21 ASN 54 - QD TYR 28 lone 1 71 - 2 - HE22 GLN 53 - QD TYR 28 lone 1 97 - 1 - HE21 GLN 63 - QD TYR 28 lone 1 83 - 1 - Peak 4663 from aronoe.peaks (8.14, 7.13, 133.55 ppm; 4.00 A): 1 out of 5 assignments used, quality = 0.46: H LYS 27 + QD TYR 28 OK 46 85 - 55 - 4.0/4666=19, 4.6/4662=19...(6) H SER 24 - QD TYR 28 lone 3 96 - 3 - 99/4.5=1 H THR 46 - QD TYR 28 lone 3 100 - 3 - H LEU 68 - QD TYR 28 lone 2 100 - 2 - H ALA 35 - QD TYR 28 lone 1 96 - 1 - Peak 4665 from aronoe.peaks (2.96, 6.79, 117.71 ppm; 4.13 A): 1 out of 10 assignments used, quality = 0.86: HB2 TYR 28 + QE TYR 28 OK 86 96 - 89 - 4.4=80, 1.8/4669=33, ~1691=18 HE3 LYS 39 - QE TYR 28 lone 3 73 - 5 - 3.6/4671=2, 3.6/4670=2 HE2 LYS 39 - QE TYR 28 lone 3 73 - 5 - 3.6/4671=2, 3.6/4670=2 HE2 LYS 62 - QE TYR 28 lone 2 68 - 2 - HE2 LYS 60 - QE TYR 28 lone 2 70 - 2 - HE3 LYS 60 - QE TYR 28 lone 1 68 - 2 - HE3 LYS 62 - QE TYR 28 lone 1 60 - 2 - HE2 LYS 49 - QE TYR 28 lone 1 78 - 2 - HE3 LYS 49 - QE TYR 28 lone 1 78 - 2 - HE3 LYS 22 - QE TYR 28 lone 1 99 - 1 - Peak 4666 from aronoe.peaks (1.57, 7.13, 133.55 ppm; 3.32 A): 1 out of 10 assignments used, quality = 0.66: HB3 LYS 27 + QD TYR 28 OK 66 99 - 67 - 4670/2.2=16, 4.1/4662=15...(10) HD2 LYS 58 - QD TYR 28 poor 8 63 - 13 - 4670/2.2=3, 3.0/4667=2...(6) HD3 LYS 58 - QD TYR 28 poor 8 63 - 13 - 4670/2.2=3, 3.0/4667=2...(6) HG3 LYS 39 - QD TYR 28 lone 4 76 - 6 - 1.8/4667=2, 4670/2.2=2, ~4671=1 HG LEU 37 - QD TYR 28 lone 2 99 - 2 - HG2 LYS 49 - QD TYR 28 lone 2 100 - 2 - QB ALA 31 - QD TYR 28 lone 1 97 - 1 - HG3 ARG 34 - QD TYR 28 lone 1 87 - 1 - HG3 ARG 61 - QD TYR 28 lone 1 65 - 1 - HG2 ARG 61 - QD TYR 28 lone 1 63 - 1 - Peak 4667 from aronoe.peaks (1.44, 7.13, 133.55 ppm; 3.78 A): 4 out of 10 assignments used, quality = 0.79: HB2 LYS 27 + QD TYR 28 OK 60 76 - 80 - 1.8/4666=30, 4.1/4662=20...(12) HG3 ARG 56 + QD TYR 28 OK 28 96 - 29 - 4671/2.2=8, ~4215=7...(6) HB3 LEU 29 + QD TYR 28 OK 16 83 - 19 - 605/4.5=15, ~4243=3, 4671/2.2=1 HG3 LYS 58 + QD TYR 28 OK 14 94 - 14 - 4671/2.2=5, 3.0/4666=3...(5) HG2 LYS 39 - QD TYR 28 lone 7 96 - 7 - 4671/2.2=2, 1.8/4666=2...(4) HB3 LEU 41 - QD TYR 28 lone 3 93 - 3 - HG2 LYS 62 - QD TYR 28 lone 3 99 - 3 - HG3 LYS 62 - QD TYR 28 lone 3 99 - 3 - HG3 LYS 60 - QD TYR 28 lone 2 93 - 2 - HG2 LYS 60 - QD TYR 28 lone 2 92 - 2 - Peak 4668 from aronoe.peaks (2.85, 6.79, 117.71 ppm; 3.78 A): 0 out of 4 assignments used, low quality = 0.37: HD3 ARG 56 - QE TYR 28 OK 24 100 - 24 - 1.8/4669=10, 3.0/4671=7...(5) HE2 LYS 27 - QE TYR 28 OK 17 96 - 18 - 5.2/4207=10, 5.2/4671=6, ~4210=2 HE3 LYS 58 - QE TYR 28 poor 9 75 - 12 - 3.9/4671=3, 3.0/4670=3...(4) HE2 LYS 58 - QE TYR 28 poor 9 75 - 12 - 3.9/4671=3, 3.0/4670=3...(4) Peak 4669 from aronoe.peaks (2.73, 6.79, 117.71 ppm; 3.64 A): 2 out of 2 assignments used, quality = 0.75: HB3 TYR 28 + QE TYR 28 OK 67 93 - 72 - 4.4=55, 1.8/4665=25...(5) HD2 ARG 56 + QE TYR 28 OK 23 84 - 27 - 1.8/4668=14, 3.0/4671=6...(5) Peak 4670 from aronoe.peaks (1.57, 6.79, 117.71 ppm; 3.87 A): 3 out of 10 assignments used, quality = 0.73: HB3 LYS 27 + QE TYR 28 OK 65 98 - 66 - 4666/2.2=28, 4207=19...(8) HD2 LYS 58 + QE TYR 28 OK 12 62 - 20 - 3.0/4668=4, 3.0/4668=4...(6) HD3 LYS 58 + QE TYR 28 OK 12 62 - 20 - 3.0/4668=4, 3.0/4668=4...(6) HG3 LYS 39 - QE TYR 28 lone 6 75 - 8 - 1.8/4671=2, 4666/2.2=2, ~4667=1 HG LEU 37 - QE TYR 28 lone 2 98 - 2 - HG2 LYS 49 - QE TYR 28 lone 2 100 - 2 - QB ALA 31 - QE TYR 28 lone 1 97 - 1 - HG3 ARG 34 - QE TYR 28 lone 1 86 - 2 - HG3 ARG 61 - QE TYR 28 lone 1 65 - 1 - HG2 ARG 61 - QE TYR 28 lone 1 62 - 1 - Peak 4671 from aronoe.peaks (1.44, 6.79, 117.71 ppm; 3.92 A): 3 out of 10 assignments used, quality = 0.68: HB2 LYS 27 + QE TYR 28 OK 47 75 - 62 - 1.8/4670=24, ~4666=19...(7) HG3 ARG 56 + QE TYR 28 OK 28 95 - 29 - 3.0/4668=13, 3.0/4669=8...(4) HG3 LYS 58 + QE TYR 28 OK 18 94 - 19 - 3.9/4668=4, 3.9/4668=4...(6) HG2 LYS 39 - QE TYR 28 lone 8 96 - 8 - 1.8/4670=2, 4667/2.2=2, ~4666=1 HB3 LEU 29 - QE TYR 28 lone 4 82 - 5 - 4667/2.2=4 HG2 LYS 62 - QE TYR 28 lone 3 98 - 3 - HG3 LYS 62 - QE TYR 28 lone 3 98 - 3 - HB3 LEU 41 - QE TYR 28 lone 3 93 - 3 - 4462/4672=1 HG3 LYS 60 - QE TYR 28 lone 2 93 - 3 - HG2 LYS 60 - QE TYR 28 lone 2 91 - 3 - Peak 4672 from aronoe.peaks (1.19, 6.79, 117.71 ppm; 4.54 A): 0 out of 1 assignment used, low quality = 0.12: QG2 THR 14 - QE TYR 28 OK 12 88 - 13 - 4745/2.2=12 Peak 4673 from aronoe.peaks (7.75, 6.97, 121.06 ppm; 4.07 A): 2 out of 2 assignments used, quality = 0.70: QD PHE 52 + HE3 TRP 51 OK 62 93 - 67 - 4699=23, 3.7/4794=18...(8) H ARG 56 + HE3 TRP 51 OK 21 93 - 23 - 4.7/4680=5, 4.6/4726=4...(9) Peak 4674 from aronoe.peaks (3.51, 6.97, 121.06 ppm; 4.76 A): 1 out of 1 assignment used, quality = 0.96: HB2 TRP 51 + HE3 TRP 51 OK 96 96 - 100 - 4.2=100 Peak 4675 from aronoe.peaks (3.76, 6.97, 121.06 ppm; 4.19 A): 2 out of 5 assignments used, quality = 0.78: HA PHE 52 + HE3 TRP 51 OK 71 96 - 74 - 4794=33, 4793/2.5=25...(8) HA ILE 50 + HE3 TRP 51 OK 25 90 - 28 - 3.6/737=20, 3802/254=6, 4594=2 HA ARG 34 - HE3 TRP 51 lone 4 57 - 7 - 3.0/4725=4, 4.0/4211=1 HA3 GLY 69 - HE3 TRP 51 lone 1 86 - 1 - HA2 GLY 69 - HE3 TRP 51 lone 1 84 - 1 - Peak 4677 from aronoe.peaks (1.97, 7.14, 127.06 ppm; 3.06 A): 0 out of 8 assignments used, low quality = 0.42: HD3 ARG 55 - HD1 TRP 51 OK 27 99 - 27 - 4836/5.0=7, 3.0/4679=6...(7) HB ILE 50 - HD1 TRP 51 OK 12 59 - 20 - 4.4/736=8, 4614/3.9=4...(5) HB2 ARG 21 - HD1 TRP 51 OK 10 100 - 11 - 4619/2.6=3, ~4619=2 HB3 ARG 21 - HD1 TRP 51 lone 10 99 - 10 - 4619/2.6=3, ~4619=2 HD3 LYS 22 - HD1 TRP 51 lone 8 99 - 8 - 4619/2.6=2 HB3 GLU 67 - HD1 TRP 51 lone 4 99 - 4 - HB2 ARG 34 - HD1 TRP 51 lone 3 64 - 5 - HG2 PRO 32 - HD1 TRP 51 lone 1 89 - 1 - Peak 4678 from aronoe.peaks (1.02, 7.14, 127.06 ppm; 4.07 A): 2 out of 3 assignments used, quality = 0.93: QG2 VAL 16 + HD1 TRP 51 OK 78 99 - 78 - 4047/2.6=28, 4046=21...(11) QG1 VAL 16 + HD1 TRP 51 OK 69 91 - 76 - 4048/2.6=26, 2.1/4046=18...(10) QG1 VAL 48 - HD1 TRP 51 poor 8 79 - 10 - 4825/4719=3, 4046=2...(4) Peak 4679 from aronoe.peaks (-0.27, 7.14, 127.06 ppm; 3.87 A): 3 out of 3 assignments used, quality = 0.84: QD1 LEU 19 + HD1 TRP 51 OK 54 99 - 54 - 2.1/4719=13, 4827=12...(11) HG2 ARG 55 + HD1 TRP 51 OK 44 97 - 45 - 3.0/4677=13, 4753/2.6=10...(11) HB3 ARG 55 + HD1 TRP 51 OK 39 99 - 40 - 3.7/4677=11, 4753/2.6=8...(10) Peak 4680 from aronoe.peaks (-0.27, 6.97, 121.06 ppm; 4.79 A): 3 out of 3 assignments used, quality = 0.86: QD1 LEU 19 + HE3 TRP 51 OK 59 92 - 63 - 2.1/4101=24, 4827/5.1=12...(9) HB3 ARG 55 + HE3 TRP 51 OK 43 94 - 45 - 4696/4.3=9, 4679/5.1=7...(9) HG2 ARG 55 + HE3 TRP 51 OK 40 89 - 45 - 4696/4.3=11, 4679/5.1=8...(7) Peak 4681 from aronoe.peaks (8.41, 6.44, 123.43 ppm; 4.64 A): 1 out of 4 assignments used, quality = 0.94: H GLU 20 + HH2 TRP 51 OK 94 100 - 95 - 4126=46, 3.0/4131=43...(10) H GLU 67 - HH2 TRP 51 lone 4 96 - 4 - 1336/4691=1 H ALA 38 - HH2 TRP 51 lone 2 64 - 3 - H LEU 64 - HH2 TRP 51 lone 2 69 - 3 - Peak 4684 from aronoe.peaks (4.23, 7.25, 114.03 ppm; 4.21 A): 1 out of 4 assignments used, quality = 0.90: HA GLU 20 + HZ2 TRP 51 OK 90 99 - 91 - 4131/2.5=42, 4129=33...(10) HB3 SER 30 - HZ2 TRP 51 lone 3 99 - 3 - 4628/2.5=2 HA ALA 31 - HZ2 TRP 51 lone 3 90 - 3 - 4628/2.5=1 HA ARG 61 - HZ2 TRP 51 lone 2 87 - 2 - 4628/2.5=1 Peak 4685 from aronoe.peaks (4.22, 6.44, 123.43 ppm; 3.09 A): 2 out of 5 assignments used, quality = 0.79: HA GLU 20 + HH2 TRP 51 OK 76 99 - 77 - 4131=38, 4684/2.5=16...(11) HA GLU 18 + HH2 TRP 51 OK 12 61 - 19 - 3.0/4693=6, 3.0/4693=6...(5) HB3 SER 30 - HH2 TRP 51 lone 4 99 - 4 - HA ALA 31 - HH2 TRP 51 lone 2 95 - 3 - HA ARG 61 - HH2 TRP 51 lone 1 79 - 2 - Peak 4686 from aronoe.peaks (3.08, 6.44, 123.43 ppm; 4.02 A): 1 out of 3 assignments used, quality = 0.87: HB3 PHE 23 + HH2 TRP 51 OK 87 99 - 88 - 1.8/4721=36, 4167/2.4=31...(7) HB3 HIS 10 - HH2 TRP 51 poor 9 74 - 12 - 4706/4.3=11 HB2 TYR 57 - HH2 TRP 51 lone 4 95 - 4 - 1.8/4721=1, 4723/2.4=1 Peak 4688 from aronoe.peaks (2.45, 7.25, 114.03 ppm; 3.36 A): 1 out of 4 assignments used, quality = 0.68: HG2 GLU 20 + HZ2 TRP 51 OK 68 97 - 71 - 4132=21, 1.8/4133=16...(12) HG3 MET 11 - HZ2 TRP 51 poor 7 55 - 12 - 3.0/4689=3, 4691/2.5=2...(4) HB2 ASN 54 - HZ2 TRP 51 lone 7 78 - 9 - 4617/2.8=3, 3812/7.7=2 HG2 GLN 53 - HZ2 TRP 51 lone 2 88 - 2 - Peak 4689 from aronoe.peaks (1.99, 7.25, 114.03 ppm; 3.96 A): 6 out of 10 assignments used, quality = 0.80: HD3 ARG 55 + HZ2 TRP 51 OK 41 88 - 47 - 4836=16, 3.0/4695=9...(10) HB3 GLU 18 + HZ2 TRP 51 OK 26 97 - 27 - 4693/2.5=8, ~4693=8...(6) HB2 GLU 18 + HZ2 TRP 51 OK 26 97 - 27 - 4693/2.5=8, ~4693=8...(6) HB2 MET 11 + HZ2 TRP 51 OK 18 97 - 19 - 4693/2.5=4, 4712/4045=4...(6) HB3 ARG 21 + HZ2 TRP 51 OK 13 85 - 15 - 3.5/4727=4, ~4619=3...(5) HB2 ARG 21 + HZ2 TRP 51 OK 12 78 - 15 - 3.5/4727=4, ~4619=3...(5) HD3 LYS 22 - HZ2 TRP 51 lone 4 64 - 6 - 4619/2.8=2, 4677/5.0=1 HB3 GLU 67 - HZ2 TRP 51 lone 2 61 - 4 - HG2 PRO 32 - HZ2 TRP 51 lone 2 98 - 2 - HB3 GLN 63 - HZ2 TRP 51 lone 2 97 - 2 - Peak 4690 from aronoe.peaks (1.04, 7.25, 114.03 ppm; 3.35 A): 2 out of 2 assignments used, quality = 0.81: QG1 VAL 16 + HZ2 TRP 51 OK 70 97 - 72 - 4043=24, 4048/2.8=18...(15) QG2 VAL 16 + HZ2 TRP 51 OK 37 58 - 64 - 2.1/4043=22, 3.2/4727=13...(12) Peak 4691 from aronoe.peaks (2.47, 6.44, 123.43 ppm; 4.01 A): 3 out of 4 assignments used, quality = 0.86: HG2 GLU 20 + HH2 TRP 51 OK 81 97 - 84 - 4132/2.5=27, 4.1/4131=26...(10) HG3 MET 11 + HH2 TRP 51 OK 15 94 - 16 - 3.0/4693=5, 4688/2.5=2...(5) HB2 ASN 54 + HH2 TRP 51 OK 12 99 - 12 - 3812/8.2=5, 4617/5.0=3 HG3 GLN 15 - HH2 TRP 51 lone 4 93 - 5 - 4822/4693=1 Peak 4692 from aronoe.peaks (2.19, 6.44, 123.43 ppm; 4.65 A): 1 out of 3 assignments used, quality = 0.70: HB2 GLU 20 + HH2 TRP 51 OK 70 74 - 94 - 3.0/4131=43, 3.0/4691=27...(11) HB VAL 48 - HH2 TRP 51 lone 3 74 - 4 - ~4045=1 HG2 ARG 56 - HH2 TRP 51 lone 2 95 - 2 - Peak 4693 from aronoe.peaks (2.00, 6.44, 123.43 ppm; 4.13 A): 3 out of 7 assignments used, quality = 0.46: HB3 GLU 18 + HH2 TRP 51 OK 22 96 - 23 - 3.0/4720=6, 3.0/4685=5...(6) HB2 GLU 18 + HH2 TRP 51 OK 22 96 - 23 - 3.0/4720=6, 3.0/4685=5...(6) HB2 MET 11 + HH2 TRP 51 OK 11 97 - 11 - 3.0/4691=4, 4689/2.5=3...(4) HB3 GLN 63 - HH2 TRP 51 lone 2 97 - 2 - HG2 PRO 32 - HH2 TRP 51 lone 1 72 - 1 - HB2 GLN 26 - HH2 TRP 51 lone 1 87 - 1 - HB3 GLN 26 - HH2 TRP 51 lone 1 87 - 1 - Peak 4694 from aronoe.peaks (0.70, 7.25, 114.03 ppm; 4.64 A): 2 out of 3 assignments used, quality = 0.57: HB2 LEU 19 + HZ2 TRP 51 OK 48 95 - 50 - 4.4/4125=23, 3.1/4695=12...(7) QD1 ILE 17 + HZ2 TRP 51 OK 17 99 - 17 - 4063/4043=6, 3679/4727=4...(5) QD1 LEU 41 - HZ2 TRP 51 poor 8 78 - 11 - 47/4125=3, 4817/4695=2 Peak 4695 from aronoe.peaks (-0.28, 7.25, 114.03 ppm; 4.44 A): 3 out of 3 assignments used, quality = 0.95: QD1 LEU 19 + HZ2 TRP 51 OK 65 99 - 66 - 3.1/4694=19, 4696/2.5=13...(12) HG2 ARG 55 + HZ2 TRP 51 OK 64 98 - 66 - 3.0/4836=22, 4696/2.5=15...(15) HB3 ARG 55 + HZ2 TRP 51 OK 58 99 - 58 - 3.7/4836=20, 4696/2.5=11...(13) Peak 4696 from aronoe.peaks (-0.28, 6.44, 123.43 ppm; 3.99 A): 3 out of 3 assignments used, quality = 0.83: HG2 ARG 55 + HH2 TRP 51 OK 51 98 - 52 - ~4836=12, 4695/2.5=10...(14) QD1 LEU 19 + HH2 TRP 51 OK 46 99 - 46 - 4695/2.5=10, ~4694=9...(10) HB3 ARG 55 + HH2 TRP 51 OK 38 99 - 38 - 4695/2.5=9, 3.7/4720=6...(11) Peak 4697 from aronoe.peaks (-0.40, 6.44, 123.43 ppm; 4.33 A): 0 out of 0 assignments used, low quality = 0.00: Peak 4698 from aronoe.peaks (7.05, 7.75, 131.45 ppm; 4.46 A): 1 out of 3 assignments used, quality = 0.86: QD PHE 23 + QD PHE 52 OK 86 100 - 87 - 4700/2.2=36, 4631=29...(11) HD2 HIS 36 - QD PHE 52 lone 4 99 - 4 - 4795/3.7=1, 4700/2.2=1 HD2 HIS 10 - QD PHE 52 lone 4 95 - 4 - 4700/2.2=1, 4795/3.7=1 Peak 4699 from aronoe.peaks (6.96, 7.75, 131.45 ppm; 4.09 A): 2 out of 3 assignments used, quality = 0.87: HE3 TRP 51 + QD PHE 52 OK 68 95 - 72 - 4673=34, 4794/3.7=18...(9) HZ PHE 23 + QD PHE 52 OK 60 97 - 61 - 3.8/4698=21, 4701/2.2=16...(8) HE21 GLN 53 - QD PHE 52 lone 5 73 - 7 - 5.2/3824=5 Peak 4700 from aronoe.peaks (7.07, 7.53, 131.87 ppm; 3.81 A): 1 out of 3 assignments used, quality = 0.83: QD PHE 23 + QE PHE 52 OK 83 98 - 85 - 4630=35, 3.7/4703=23...(12) HD2 HIS 10 - QE PHE 52 lone 3 100 - 3 - 4698/2.2=1 HD2 HIS 36 - QE PHE 52 lone 2 82 - 3 - 4698/2.2=1 Peak 4701 from aronoe.peaks (6.96, 7.53, 131.87 ppm; 4.39 A): 2 out of 2 assignments used, quality = 0.85: HZ PHE 23 + QE PHE 52 OK 66 84 - 78 - 3.8/4700=29, 2.2/4634=18...(12) HE3 TRP 51 + QE PHE 52 OK 57 100 - 57 - 4673/2.2=29, 4794/5.6=13...(7) Peak 4702 from aronoe.peaks (3.90, 7.53, 131.87 ppm; 4.14 A): 1 out of 4 assignments used, quality = 0.45: HA LYS 27 + QE PHE 52 OK 45 100 - 46 - 4200/2.2=20...(7) HA THR 46 - QE PHE 52 lone 4 100 - 4 - 4629/4700=2 HD2 PRO 32 - QE PHE 52 lone 2 98 - 2 - HB2 SER 65 - QE PHE 52 lone 1 68 - 1 - Peak 4703 from aronoe.peaks (4.76, 7.53, 131.87 ppm; 3.92 A): 1 out of 2 assignments used, quality = 0.62: HA PHE 23 + QE PHE 52 OK 62 100 - 62 - 3.7/4700=24, 4638/2.2=20...(7) HB THR 44 - QE PHE 52 lone 1 62 - 2 - Peak 4704 from aronoe.peaks (1.00, 7.75, 131.45 ppm; 3.85 A): 2 out of 2 assignments used, quality = 0.77: QG1 VAL 48 + QD PHE 52 OK 68 100 - 68 - 4792=34, 4731/2.2=24...(10) QG2 VAL 16 + QD PHE 52 OK 30 95 - 32 - 4731/2.2=12, 4792=9...(6) Peak 4705 from aronoe.peaks (0.93, 7.53, 131.87 ppm; 3.77 A): 3 out of 4 assignments used, quality = 0.77: QD2 LEU 37 + QE PHE 52 OK 47 93 - 51 - 4391=24, 4374/4707=11...(9) QG2 VAL 48 + QE PHE 52 OK 43 82 - 53 - 2.1/4731=23, ~4792=15...(8) QG2 ILE 50 + QE PHE 52 OK 22 86 - 25 - 3.2/4730=14, 4643/2.2=6...(6) QD1 LEU 64 - QE PHE 52 lone 2 68 - 3 - Peak 4706 from aronoe.peaks (-0.30, 7.75, 131.45 ppm; 4.72 A): 3 out of 3 assignments used, quality = 0.81: QD1 LEU 19 + QD PHE 52 OK 67 89 - 76 - 2.1/4098=33, ~4707=32...(12) HG2 ARG 55 + QD PHE 52 OK 23 93 - 25 - 3820/3.7=9, 5.1/905=7...(6) HB3 ARG 55 + QD PHE 52 OK 23 85 - 27 - 4.0/905=9, 3820/3.7=9...(6) Peak 4707 from aronoe.peaks (0.53, 7.53, 131.87 ppm; 3.60 A): 1 out of 1 assignment used, quality = 0.74: QD2 LEU 19 + QE PHE 52 OK 74 100 - 74 - 4099=33, 4098/2.2=21...(18) Peak 4708 from aronoe.peaks (0.17, 7.53, 131.87 ppm; 4.06 A): 1 out of 1 assignment used, quality = 0.64: QD1 LEU 29 + QE PHE 52 OK 64 80 - 80 - 2.1/4724=30, 4648/2.2=22...(10) Peak 4709 from aronoe.peaks (4.35, 7.15, 132.89 ppm; 3.56 A): 3 out of 10 assignments used, quality = 0.69: HA ASN 54 + QD TYR 57 OK 48 100 - 49 - 3832/2.5=14, 3834/2.5=14...(6) HA LYS 22 + QD TYR 57 OK 24 100 - 24 - 3.0/4715=8, 3.7/4717=4...(7) HA LEU 68 + QD TYR 57 OK 21 97 - 22 - 3832/2.5=7, 3834/2.5=7...(5) HA LEU 64 - QD TYR 57 lone 5 80 - 6 - 3832/2.5=2, 3835/2.5=2 HA LEU 41 - QD TYR 57 lone 4 94 - 5 - 3835/2.5=1, 3833/2.5=1 HA ASN 40 - QD TYR 57 lone 2 84 - 2 - HA HIS 13 - QD TYR 57 lone 2 77 - 2 - HB2 SER 12 - QD TYR 57 lone 2 80 - 2 - HA PRO 32 - QD TYR 57 lone 2 62 - 2 - HA LYS 49 - QD TYR 57 lone 1 70 - 2 - Peak 4710 from aronoe.peaks (4.12, 7.15, 132.89 ppm; 4.17 A): 1 out of 1 assignment used, quality = 0.58: HA LYS 58 + QD TYR 57 OK 58 97 - 60 - 3.0/4716=18, 4679/2.5=18...(6) Peak 4712 from aronoe.peaks (3.15, 6.82, 117.88 ppm; 4.10 A): 1 out of 4 assignments used, quality = 0.79: HB3 TYR 57 + QE TYR 57 OK 79 90 - 88 - 4.4=79, ~4614=21...(4) HD3 ARG 61 - QE TYR 57 lone 2 98 - 2 - HD2 ARG 61 - QE TYR 57 lone 2 98 - 2 - HB2 PHE 23 - QE TYR 57 lone 2 100 - 2 - Peak 4713 from aronoe.peaks (3.09, 6.82, 117.88 ppm; 4.45 A): 1 out of 1 assignment used, quality = 1.00: HB2 TYR 57 + QE TYR 57 OK 100 100 - 100 - 4.4=100 Peak 4714 from aronoe.peaks (2.50, 7.15, 132.89 ppm; 4.74 A): 0 out of 4 assignments used, low quality = 0.36: HB2 ASN 54 - QD TYR 57 OK 36 75 - 49 - 3.0/4709=18, ~3832=12...(6) HG3 MET 11 - QD TYR 57 lone 9 92 - 9 - 1.8/4715=5, 4732/4.6=2 HG3 GLN 15 - QD TYR 57 lone 2 94 - 3 - HB2 GLN 15 - QD TYR 57 lone 2 99 - 2 - Peak 4715 from aronoe.peaks (2.37, 7.15, 132.89 ppm; 4.85 A): 2 out of 6 assignments used, quality = 0.50: HB3 LYS 22 + QD TYR 57 OK 33 97 - 34 - 3.0/4709=9, 2.9/4717=8...(6) HG3 GLN 53 + QD TYR 57 OK 25 100 - 26 - ~4656=24 HG2 MET 11 - QD TYR 57 lone 9 91 - 10 - 1.8/4714=8 HG3 GLN 63 - QD TYR 57 lone 2 96 - 2 - HG2 GLN 63 - QD TYR 57 lone 2 94 - 2 - HG2 GLU 45 - QD TYR 57 lone 1 64 - 2 - Peak 4716 from aronoe.peaks (1.80, 7.15, 132.89 ppm; 4.34 A): 2 out of 8 assignments used, quality = 0.73: HB2 LYS 58 + QD TYR 57 OK 65 100 - 66 - 3.0/4710=33, 786/4.6=21...(5) HD2 LYS 22 + QD TYR 57 OK 22 82 - 27 - 3.5/4715=11, 3.0/4717=7...(5) HB2 ARG 61 - QD TYR 57 lone 5 95 - 5 - 786/4.6=2, 1.8/4717=1 HB3 LYS 62 - QD TYR 57 lone 3 72 - 4 - 2.9/4718=1, 2.9/4718=1 HB2 PRO 32 - QD TYR 57 lone 3 100 - 3 - HB2 LYS 62 - QD TYR 57 lone 3 59 - 5 - 2.9/4718=1, 2.9/4718=1 HB3 LYS 60 - QD TYR 57 lone 3 80 - 3 - HB3 GLN 47 - QD TYR 57 lone 2 64 - 2 - Peak 4717 from aronoe.peaks (1.71, 7.15, 132.89 ppm; 3.92 A): 4 out of 12 assignments used, quality = 0.76: HB3 LYS 58 + QD TYR 57 OK 43 72 - 60 - 3.0/4710=27, 1.8/4716=20...(6) HB2 ARG 56 + QD TYR 57 OK 33 92 - 36 - 4.6/783=14, 3.0/4718=8...(6) HG2 LYS 22 + QD TYR 57 OK 27 98 - 28 - 2.9/4715=10, 3.7/4709=6...(6) HG3 LYS 22 + QD TYR 57 OK 14 59 - 25 - 2.9/4715=10, 3.7/4709=6...(5) HB3 ARG 61 - QD TYR 57 lone 4 82 - 5 - 1.8/4716=2 HB3 LEU 37 - QD TYR 57 lone 4 70 - 5 - 3.1/4392=2, 787/4.6=1 HD2 LYS 39 - QD TYR 57 lone 3 94 - 4 - 3.0/4718=1, 2035/4.6=1 HD3 LYS 39 - QD TYR 57 lone 3 94 - 4 - 3.0/4718=1, 2035/4.6=1 HD2 LYS 42 - QD TYR 57 lone 2 94 - 2 - HD2 LYS 49 - QD TYR 57 lone 2 99 - 2 - HD3 LYS 49 - QD TYR 57 lone 1 99 - 1 - HG13 ILE 50 - QD TYR 57 lone 1 91 - 2 - Peak 4718 from aronoe.peaks (1.45, 7.15, 132.89 ppm; 4.22 A): 2 out of 10 assignments used, quality = 0.73: HG3 LYS 58 + QD TYR 57 OK 56 99 - 57 - 4.0/4710=25, 2.8/4716=19...(5) HG3 ARG 56 + QD TYR 57 OK 38 100 - 39 - 4676=13, 3.0/4717=8...(7) HB3 LEU 41 - QD TYR 57 lone 6 75 - 7 - 3.0/4709=2, 4851/3.7=1 HG2 LYS 39 - QD TYR 57 lone 5 82 - 7 - 789/4.6=2, 4851/3.7=1 HG2 LYS 62 - QD TYR 57 lone 5 88 - 5 - 4851/3.7=2 HG3 LYS 62 - QD TYR 57 lone 5 88 - 5 - 4851/3.7=2 HG3 LYS 60 - QD TYR 57 lone 3 75 - 4 - 4851/3.7=1 HB3 LEU 29 - QD TYR 57 lone 3 96 - 3 - HG2 LYS 60 - QD TYR 57 lone 3 72 - 3 - 4851/3.7=1 HG LEU 43 - QD TYR 57 lone 1 80 - 2 - Peak 4719 from aronoe.peaks (0.54, 7.14, 127.06 ppm; 6.00 A): 1 out of 1 assignment used, quality = 0.80: QD2 LEU 19 + HD1 TRP 51 OK 80 98 - 81 - 4114/3.9=39, 2.1/4827=29...(9) Peak 4720 from aronoe.peaks (2.41, 6.44, 123.43 ppm; 3.87 A): 3 out of 7 assignments used, quality = 0.93: HG3 GLU 20 + HH2 TRP 51 OK 82 97 - 85 - 1.8/4691=26, 4.1/4131=25...(9) HD2 ARG 55 + HH2 TRP 51 OK 42 98 - 43 - ~4836=14, 3.0/4696=11...(7) HG3 GLU 18 + HH2 TRP 51 OK 34 98 - 35 - 3.0/4693=10, 3.0/4693=10...(9) HG2 MET 11 - HH2 TRP 51 poor 9 61 - 14 - 3.0/4693=5, 1.8/4691=5...(4) HG2 GLN 53 - HH2 TRP 51 lone 2 72 - 3 - 1323/4131=1 HG2 GLU 45 - HH2 TRP 51 lone 2 89 - 2 - HG3 GLN 47 - HH2 TRP 51 lone 1 95 - 1 - Peak 4721 from aronoe.peaks (3.14, 6.44, 123.43 ppm; 3.94 A): 1 out of 4 assignments used, quality = 0.79: HB2 PHE 23 + HH2 TRP 51 OK 79 92 - 87 - 1.8/4686=32, 2.4/4636=29...(8) HB3 TYR 57 - HH2 TRP 51 lone 3 67 - 4 - 1.8/4686=2 HD3 ARG 61 - HH2 TRP 51 lone 2 99 - 2 - HD2 ARG 61 - HH2 TRP 51 lone 2 99 - 2 - Peak 4723 from aronoe.peaks (3.08, 5.72, 120.81 ppm; 4.82 A): 1 out of 2 assignments used, quality = 0.96: HB3 PHE 23 + HZ3 TRP 51 OK 96 99 - 96 - 4167=49, 1.8/4165=41...(9) HB2 TYR 57 - HZ3 TRP 51 lone 5 84 - 5 - 4686/2.4=2, ~4721=1 Peak 4724 from aronoe.peaks (0.46, 7.53, 131.87 ppm; 4.58 A): 1 out of 1 assignment used, quality = 0.90: QD2 LEU 29 + QE PHE 52 OK 90 100 - 90 - 2.1/4708=43, 4647/2.2=34...(12) Peak 4725 from aronoe.peaks (1.86, 6.97, 121.06 ppm; 5.33 A): 0 out of 9 assignments used, low quality = 0.00: HB ILE 17 - HE3 TRP 51 lone 7 79 - 9 - 4.5/4726=5 HB3 ARG 34 - HE3 TRP 51 lone 6 97 - 6 - 3.0/4211=2, 3.0/4675=2 HG2 ARG 21 - HE3 TRP 51 lone 4 97 - 4 - HB3 LYS 49 - HE3 TRP 51 lone 4 67 - 5 - 4593/4.2=3 HG LEU 41 - HE3 TRP 51 lone 2 92 - 3 - HB3 MET 11 - HE3 TRP 51 lone 2 72 - 2 - HB2 LYS 60 - HE3 TRP 51 lone 2 72 - 2 - HB2 GLU 33 - HE3 TRP 51 lone 1 62 - 2 - HB2 LYS 62 - HE3 TRP 51 lone 1 55 - 2 - Peak 4726 from aronoe.peaks (7.55, 6.97, 121.06 ppm; 5.02 A): 3 out of 4 assignments used, quality = 0.59: QE PHE 52 + HE3 TRP 51 OK 43 67 - 63 - 2.2/4673=34, 5.6/4794=17...(7) H TYR 57 + HE3 TRP 51 OK 17 91 - 18 - 4.6/4673=8, 3.6/4674=4...(4) H GLU 18 + HE3 TRP 51 OK 13 97 - 14 - 4.5/4725=6, 4099/4101=2 HE21 GLN 63 - HE3 TRP 51 lone 2 74 - 3 - Peak 4727 from aronoe.peaks (3.24, 7.25, 114.03 ppm; 4.46 A): 2 out of 3 assignments used, quality = 0.79: HA VAL 16 + HZ2 TRP 51 OK 75 94 - 80 - 3.2/4043=32, 4616/2.8=23...(10) HD3 ARG 21 + HZ2 TRP 51 OK 17 99 - 18 - 4616/2.8=5, 3.5/4630=3...(7) HB2 HIS 13 - HZ2 TRP 51 lone 3 69 - 4 - Peak 4728 from aronoe.peaks (8.95, 7.75, 131.45 ppm; 4.39 A): 1 out of 1 assignment used, quality = 0.96: H PHE 52 + QD PHE 52 OK 96 97 - 99 - 4.5=93, 2605/2.5=38...(11) Peak 4729 from aronoe.peaks (4.02, 7.75, 131.45 ppm; 4.56 A): 1 out of 3 assignments used, quality = 0.63: HA TRP 51 + QD PHE 52 OK 63 99 - 64 - 3.6/4728=30, 4.8/4673=18...(7) HB THR 14 - QD PHE 52 lone 4 81 - 5 - ~3669=2, 1040/4.4=1, 3358/2.2=1 HB2 SER 30 - QD PHE 52 lone 3 93 - 3 - 1040/4.4=2 Peak 4730 from aronoe.peaks (0.78, 7.53, 131.87 ppm; 4.54 A): 0 out of 2 assignments used, low quality = 0.18: QD1 ILE 50 - QE PHE 52 OK 18 93 - 19 - 3.2/4705=7, ~4643=5...(5) QG2 ILE 17 - QE PHE 52 poor 10 75 - 13 - 4.0/934=3, 2.1/3370=2...(5) Peak 4731 from aronoe.peaks (1.00, 7.53, 131.87 ppm; 3.73 A): 2 out of 2 assignments used, quality = 0.72: QG1 VAL 48 + QE PHE 52 OK 61 100 - 61 - 4792/2.2=24, 4567=22...(8) QG2 VAL 16 + QE PHE 52 OK 30 93 - 32 - 4704/2.2=10, 4825/4707=7...(7) Average quality of peak assignments : 0.916 Average number of used assignments : 1.888 Average rank of reference assignment: 1.104 Peaks with increased upper limit : 0 Peaks with decreased upper limit : 0 Peaks: selected : 4216 in nnoeabs.peaks : 950 in cnoeabs.peaks : 3098 in aronoe.peaks : 168 assigned : 4149 unassigned : 67 without assignment possibility : 17 with violation below 0.5 A : 50 with violation between 0.5 and 3.0 A : 0 with violation above 3.0 A : 0 in nnoeabs.peaks : 6 in cnoeabs.peaks : 49 in aronoe.peaks : 12 with diagonal assignment : 485 Cross peaks: with off-diagonal assignment : 3664 with unique assignment : 1921 with short-range assignment |i-j|<=1: 2818 with medium-range assignment 1<|i-j|<5 : 575 with long-range assignment |i-j|>=5: 271 Comparison with reference assignment: Cross peaks with reference assignment : 2902 with identical reference assignment : 1647 with compatible reference assignment : 2748 with incompatible reference assignment : 67 with additional reference assignment : 9 with additional assignment : 849