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 100 100 100 100 2.2-3.6 3.6=100 HA MET 11 + H MET 11 OK 63 63 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 3 from nnoeabs.peaks (3.20, 8.23, 121.29 ppm; 5.32 A): 1 out of 3 assignments used, quality = 1.00: * HB2 HIS 10 + H MET 11 OK 100 100 100 100 2.2-4.1 4.4=100 HA VAL 16 - H MET 11 lone 1 73 40 2 5.6-7.6 HB2 HIS 13 - H MET 11 far 0 97 0 - 8.8-10.2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-4.4 4.4=100 Violated in 0 structures by 0.00 A. Peak 5 from nnoeabs.peaks (2.48, 8.23, 121.29 ppm; 4.57 A): 2 out of 5 assignments used, quality = 1.00: * HG3 MET 11 + H MET 11 OK 99 100 100 99 2.0-4.3 4.8=87, 4728/3.0=73...(5) HG3 GLN 15 + H MET 11 OK 47 100 50 95 5.6-7.6 4823/3.7=64, 4822/3.7=59...(6) HB2 GLN 15 - H MET 11 far 0 83 0 - 6.1-7.8 HG2 GLU 20 - H MET 11 far 0 81 0 - 9.0-13.9 HB2 ASN 54 - H MET 11 far 0 98 0 - 9.3-13.6 Violated in 0 structures by 0.00 A. Peak 7 from nnoeabs.peaks (4.66, 9.36, 119.62 ppm; 3.42 A): 1 out of 2 assignments used, quality = 1.00: * HA MET 11 + H SER 12 OK 100 100 100 100 2.2-3.6 3349=100, 3.0/8=42...(6) HA HIS 10 - H SER 12 far 0 63 0 - 5.2-6.5 Violated in 6 structures by 0.04 A. Peak 8 from nnoeabs.peaks (2.00, 9.36, 119.62 ppm; 4.09 A): 1 out of 4 assignments used, quality = 1.00: * HB2 MET 11 + H SER 12 OK 100 100 100 100 1.9-4.1 3350=97, 3.0/3349=72...(9) HB2 GLU 18 - H SER 12 far 0 100 0 - 7.8-8.9 HD3 ARG 55 - H SER 12 far 0 71 0 - 8.6-12.6 HB3 GLU 18 - H SER 12 far 0 100 0 - 9.3-10.7 Violated in 0 structures by 0.00 A. Peak 9 from nnoeabs.peaks (1.83, 9.36, 119.62 ppm; 4.89 A): 1 out of 4 assignments used, quality = 1.00: * HB3 MET 11 + H SER 12 OK 100 100 100 100 2.0-4.2 4.3=100 HB2 LYS 62 - H SER 12 far 0 99 0 - 8.2-33.5 HB ILE 17 - H SER 12 far 0 100 0 - 8.5-9.5 HB3 GLN 47 - H SER 12 far 0 98 0 - 8.5-10.7 Violated in 0 structures by 0.00 A. Peak 11 from nnoeabs.peaks (4.38, 7.92, 111.33 ppm; 3.78 A): 2 out of 2 assignments used, quality = 1.00: * HA HIS 13 + H THR 14 OK 100 100 100 100 3.5-3.6 3.6=100 HB2 SER 12 + H THR 14 OK 91 100 100 91 2.7-5.1 4741=68, 1.8/4743=44...(8) Violated in 0 structures by 0.00 A. Peak 12 from nnoeabs.peaks (3.21, 7.92, 111.33 ppm; 3.66 A): 1 out of 5 assignments used, quality = 0.86: * HB2 HIS 13 + H THR 14 OK 86 100 100 86 2.1-3.7 1.8/13=65, 3354=55, 1120/4741=7 HA VAL 16 - H THR 14 far 0 95 0 - 6.6-7.5 HB2 HIS 10 - H THR 14 far 0 97 0 - 8.5-13.0 HD2 ARG 21 - H THR 14 far 0 96 0 - 9.7-13.5 HD3 ARG 21 - H THR 14 far 0 78 0 - 10.0-12.1 Violated in 1 structures by 0.00 A. Peak 13 from nnoeabs.peaks (3.27, 7.92, 111.33 ppm; 3.95 A): 1 out of 1 assignment used, quality = 0.95: * HB3 HIS 13 + H THR 14 OK 95 100 100 95 3.4-4.0 1.8/12=82, 3355=70 Violated in 1 structures by 0.00 A. Peak 15 from nnoeabs.peaks (7.92, 7.51, 120.36 ppm; 3.98 A): 1 out of 2 assignments used, quality = 1.00: * H THR 14 + H GLN 15 OK 100 100 100 100 2.4-2.8 866=100, 504/3358=55...(9) H LYS 42 - H GLN 15 far 0 95 0 - 9.5-10.4 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.4-3.6 3.6=100 HA GLN 15 + H GLN 15 OK 85 85 100 100 2.7-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 17 from nnoeabs.peaks (4.04, 7.51, 120.36 ppm; 4.04 A): 1 out of 1 assignment used, quality = 1.00: * HB THR 14 + H GLN 15 OK 100 100 100 100 2.4-3.2 3358=100, 504/866=61...(7) Violated in 0 structures by 0.00 A. Peak 18 from nnoeabs.peaks (1.21, 7.51, 120.36 ppm; 4.47 A): 1 out of 2 assignments used, quality = 1.00: * QG2 THR 14 + H GLN 15 OK 100 100 100 100 3.2-4.1 4.0=100 HB2 LEU 43 - H GLN 15 far 0 87 0 - 9.3-11.1 Violated in 0 structures by 0.00 A. Peak 19 from nnoeabs.peaks (7.51, 7.83, 117.36 ppm; 3.44 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 15 + H VAL 16 OK 100 100 100 100 2.6-3.0 867=95, 866/929=37...(16) QE PHE 52 - H VAL 16 far 0 78 0 - 8.8-10.2 Violated in 0 structures by 0.00 A. Peak 20 from nnoeabs.peaks (3.79, 7.83, 117.36 ppm; 4.25 A): 2 out of 2 assignments used, quality = 1.00: * HA GLN 15 + H VAL 16 OK 100 100 100 100 3.5-3.6 3.6=100 HA THR 14 + H VAL 16 OK 83 85 100 98 4.0-5.0 3.6/19=67, 3.0/929=65...(9) Violated in 0 structures by 0.00 A. Peak 21 from nnoeabs.peaks (2.50, 7.83, 117.36 ppm; 3.55 A): 2 out of 3 assignments used, quality = 1.00: * HB2 GLN 15 + H VAL 16 OK 98 100 100 98 2.5-4.2 1.8/22=59, 3361=52...(14) HG3 GLN 15 + H VAL 16 OK 83 85 100 98 2.3-4.5 1.8/3363=52, 3.0/22=46...(11) HG3 MET 11 - H VAL 16 far 0 83 0 - 5.4-7.6 Violated in 0 structures by 0.00 A. Peak 22 from nnoeabs.peaks (1.63, 7.83, 117.36 ppm; 4.05 A): 1 out of 9 assignments used, quality = 1.00: * HB3 GLN 15 + H VAL 16 OK 100 100 100 100 2.1-4.2 3362=70, 1.8/3361=66...(8) HB2 LEU 41 - H VAL 16 far 0 90 0 - 6.7-8.6 HG3 ARG 21 - H VAL 16 far 0 60 0 - 8.4-11.6 HB3 LEU 68 - H VAL 16 far 0 100 0 - 8.7-35.9 HB3 LEU 64 - H VAL 16 far 0 90 0 - 8.9-34.0 HD3 LYS 42 - H VAL 16 far 0 65 0 - 9.1-13.2 HB2 LEU 68 - H VAL 16 far 0 100 0 - 9.4-36.6 HG LEU 68 - H VAL 16 far 0 87 0 - 9.8-35.6 HB2 LEU 64 - H VAL 16 far 0 63 0 - 9.8-34.3 Violated in 1 structures by 0.01 A. Peak 23 from nnoeabs.peaks (2.30, 7.83, 117.36 ppm; 5.17 A): 2 out of 2 assignments used, quality = 1.00: * HG2 GLN 15 + H VAL 16 OK 100 100 100 100 3.2-4.6 3363=100, 1.8/3364=97...(9) HG2 GLU 18 + H VAL 16 OK 63 78 85 94 5.1-7.2 4.9/932=58, 4096/3.6=40...(8) Violated in 0 structures by 0.00 A. Peak 24 from nnoeabs.peaks (2.48, 7.83, 117.36 ppm; 3.72 A): 2 out of 4 assignments used, quality = 1.00: * HG3 GLN 15 + H VAL 16 OK 100 100 100 100 2.3-4.5 3364=69, 1.8/3363=58...(12) HB2 GLN 15 + H VAL 16 OK 84 85 100 99 2.5-4.2 1.8/22=65, 4.7=51...(14) HG3 MET 11 - H VAL 16 far 0 100 0 - 5.4-7.6 HG2 GLU 20 - H VAL 16 far 0 78 0 - 6.5-8.3 Violated in 0 structures by 0.00 A. Peak 27 from nnoeabs.peaks (7.83, 8.01, 118.34 ppm; 3.66 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 16 + H ILE 17 OK 100 100 100 100 2.5-2.9 868=100, 516/29=60...(13) Violated in 0 structures by 0.00 A. Peak 28 from nnoeabs.peaks (3.23, 8.01, 118.34 ppm; 3.50 A): 1 out of 5 assignments used, quality = 1.00: * HA VAL 16 + H ILE 17 OK 100 100 100 100 3.5-3.5 3.6=94, 3.0/29=57...(14) HB2 HIS 13 - H ILE 17 far 0 95 0 - 5.9-6.5 HD2 ARG 21 - H ILE 17 far 0 71 0 - 6.1-9.4 HD3 ARG 21 - H ILE 17 far 0 98 0 - 6.5-8.2 HB2 HIS 10 - H ILE 17 far 0 73 0 - 8.4-13.4 Violated in 14 structures by 0.01 A. Peak 29 from nnoeabs.peaks (2.07, 8.01, 118.34 ppm; 3.31 A): 1 out of 8 assignments used, quality = 0.99: * HB VAL 16 + H ILE 17 OK 99 100 100 99 3.0-3.5 3366=78, 516/868=49...(9) HG3 PRO 32 - H HIS 36 far 0 35 0 - 6.0-7.7 HG3 GLU 45 - H HIS 36 far 0 56 0 - 6.3-8.7 HB2 GLU 45 - H HIS 36 far 0 26 0 - 6.5-10.1 HB3 GLU 45 - H HIS 36 far 0 29 0 - 6.7-9.8 HB2 LYS 22 - H HIS 36 far 0 43 0 - 8.3-9.8 HB2 LYS 22 - H ILE 17 far 0 87 0 - 8.8-11.2 HB2 GLN 63 - H ILE 17 far 0 100 0 - 9.1-29.3 Violated in 19 structures by 0.13 A. Peak 30 from nnoeabs.peaks (1.01, 8.01, 118.34 ppm; 3.62 A): 2 out of 4 assignments used, quality = 1.00: * QG2 VAL 16 + H ILE 17 OK 100 100 100 100 4.2-4.3 2.1/29=75, 4.3=62...(13) QG1 VAL 16 + H ILE 17 OK 82 83 100 99 2.2-2.5 2.1/29=75, 4.3=62...(13) QG1 VAL 48 - H HIS 36 far 0 46 0 - 6.7-7.6 QG1 VAL 48 - H ILE 17 far 0 90 0 - 9.3-10.8 Violated in 0 structures by 0.00 A. Peak 31 from nnoeabs.peaks (1.03, 8.01, 118.34 ppm; 3.44 A): 2 out of 2 assignments used, quality = 1.00: * QG1 VAL 16 + H ILE 17 OK 99 100 100 99 2.2-2.5 2.1/29=69, 4.3=53...(14) QG2 VAL 16 + H ILE 17 OK 82 83 100 98 4.2-4.3 2.1/29=69, 4.3=53...(12) Violated in 0 structures by 0.00 A. Peak 32 from nnoeabs.peaks (8.01, 7.55, 119.23 ppm; 3.24 A): 2 out of 6 assignments used, quality = 1.00: * H ILE 17 + H GLU 18 OK 99 100 100 99 2.6-2.8 869=88, 521/3370=43...(17) H LEU 19 + H GLU 18 OK 60 68 100 88 2.6-2.9 39=46, 4.6/942=19...(15) H LYS 60 - H TYR 57 far 0 43 0 - 5.1-8.3 H GLN 53 - H TYR 57 far 0 49 0 - 5.6-6.5 H LYS 22 - H GLU 18 far 0 83 0 - 6.0-6.8 H ASN 40 - H GLU 18 far 0 99 0 - 9.9-10.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 34 from nnoeabs.peaks (1.84, 7.55, 119.23 ppm; 3.72 A): 2 out of 8 assignments used, quality = 1.00: * HB ILE 17 + H GLU 18 OK 100 100 100 100 2.3-2.6 3370=99, 521/869=64...(15) HG2 ARG 21 + H GLU 18 OK 37 81 50 92 4.3-7.3 4138/3.0=29, 4807/35=25...(16) HB2 LYS 62 - H TYR 57 far 4 71 5 - 4.4-16.8 HG LEU 41 - H GLU 18 far 3 60 5 - 5.2-7.0 HB2 ARG 61 - H TYR 57 far 0 43 0 - 6.4-15.0 HB2 LYS 60 - H TYR 57 far 0 76 0 - 6.5-10.9 HB3 MET 11 - H GLU 18 far 0 100 0 - 7.2-9.2 HD2 LYS 22 - H GLU 18 far 0 85 0 - 7.8-10.1 Violated in 0 structures by 0.00 A. Peak 35 from nnoeabs.peaks (0.81, 7.55, 119.23 ppm; 4.03 A): 1 out of 2 assignments used, quality = 1.00: * QG2 ILE 17 + H GLU 18 OK 100 100 100 100 3.3-3.6 3371=99, 2.1/3370=77...(18) QD1 ILE 50 - H TYR 57 far 0 72 0 - 8.1-10.6 Violated in 0 structures by 0.00 A. Peak 36 from nnoeabs.peaks (1.08, 7.55, 119.23 ppm; 5.11 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 17 + H GLU 18 OK 100 100 100 100 3.9-4.8 3372=100, 523/869=90...(12) Violated in 0 structures by 0.00 A. Peak 37 from nnoeabs.peaks (1.38, 7.55, 119.23 ppm; 4.81 A): 2 out of 4 assignments used, quality = 1.00: * HG13 ILE 17 + H GLU 18 OK 100 100 100 100 4.0-4.9 3373=100, 524/869=86...(12) HG2 LYS 58 + H TYR 57 OK 38 63 70 85 4.7-7.1 4.9/295=52, ~4851=51...(5) HG3 LYS 49 - H TYR 57 far 0 52 0 - 9.1-11.6 HG2 LYS 42 - H GLU 18 far 0 81 0 - 9.2-12.6 Violated in 0 structures by 0.00 A. Peak 38 from nnoeabs.peaks (0.70, 7.55, 119.23 ppm; 4.51 A): 3 out of 3 assignments used, quality = 1.00: * QD1 ILE 17 + H GLU 18 OK 100 100 100 100 4.3-4.7 3.2/3370=74, 1224/35=72...(14) QD1 LEU 41 + H GLU 18 OK 82 85 100 97 3.2-4.7 2.1/4437=51, 4438/39=42...(15) HB2 LEU 19 + H GLU 18 OK 59 98 65 93 4.5-6.4 4.0/39=66, 4.4/942=42...(7) Violated in 0 structures by 0.00 A. Peak 39 from nnoeabs.peaks (7.55, 7.98, 124.25 ppm; 3.45 A): 1 out of 2 assignments used, quality = 0.97: * H GLU 18 + H LEU 19 OK 97 100 100 97 2.6-2.9 870=57, 3.6/943=37...(15) QE PHE 52 - H LEU 19 far 0 76 0 - 5.0-6.3 Violated in 0 structures by 0.00 A. Peak 40 from nnoeabs.peaks (4.19, 7.98, 124.25 ppm; 4.23 A): 2 out of 2 assignments used, quality = 1.00: * HA GLU 18 + H LEU 19 OK 100 100 100 100 3.5-3.6 3.6=100 HA GLU 20 + H LEU 19 OK 59 65 100 90 5.1-5.4 3.0/871=75, 3.6/947=47...(4) Violated in 0 structures by 0.00 A. Peak 41 from nnoeabs.peaks (2.00, 7.98, 124.25 ppm; 3.58 A): 2 out of 7 assignments used, quality = 1.00: * HB2 GLU 18 + H LEU 19 OK 94 100 100 94 2.4-3.0 4.3=59, 3.9/39=43...(11) HB3 GLU 18 + H LEU 19 OK 94 100 100 94 3.3-4.1 4.3=59, 3.9/39=43...(11) HB2 ARG 21 - H LEU 19 poor 15 60 25 - 4.9-5.6 HB2 MET 11 - H LEU 19 far 0 100 0 - 6.2-8.4 HB3 ARG 21 - H LEU 19 far 0 68 0 - 6.5-7.2 HD3 ARG 55 - H LEU 19 far 0 73 0 - 7.8-8.8 HB3 GLN 63 - H LEU 19 far 0 100 0 - 9.3-27.6 Violated in 0 structures by 0.00 A. Peak 42 from nnoeabs.peaks (2.00, 7.98, 124.25 ppm; 3.58 A): 2 out of 7 assignments used, quality = 1.00: HB2 GLU 18 + H LEU 19 OK 94 100 100 94 2.4-3.0 4.3=59, 3.9/39=43...(11) * HB3 GLU 18 + H LEU 19 OK 94 100 100 94 3.3-4.1 4.3=59, 3.9/39=43...(11) HB2 ARG 21 - H LEU 19 poor 15 60 25 - 4.9-5.6 HB2 MET 11 - H LEU 19 far 0 100 0 - 6.2-8.4 HB3 ARG 21 - H LEU 19 far 0 68 0 - 6.5-7.2 HD3 ARG 55 - H LEU 19 far 0 73 0 - 7.8-8.8 HB3 GLN 63 - H LEU 19 far 0 100 0 - 9.3-27.6 Violated in 0 structures by 0.00 A. Peak 44 from nnoeabs.peaks (2.41, 7.98, 124.25 ppm; 4.85 A): 3 out of 5 assignments used, quality = 1.00: * HG3 GLU 18 + H LEU 19 OK 100 100 100 100 3.9-5.2 1251/3.6=77, 531/39=61...(11) HG3 GLU 20 + H LEU 19 OK 87 90 100 96 3.9-5.1 544/871=63, 57/947=43...(11) HB3 LYS 22 + H LEU 19 OK 23 65 40 87 4.9-7.1 3702/2.9=49, ~3701=48...(4) HG2 MET 11 - H LEU 19 far 4 81 5 - 6.3-10.5 HD2 ARG 55 - H LEU 19 far 0 100 0 - 7.5-10.1 Violated in 0 structures by 0.00 A. Peak 45 from nnoeabs.peaks (7.98, 8.41, 118.68 ppm; 3.45 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 19 + H GLU 20 OK 100 100 100 100 2.4-2.9 871=100, 943/950=33...(17) H ILE 17 + H GLU 20 OK 26 68 45 85 4.8-5.1 3.0/950=44, 3.6/3683=27...(11) Violated in 0 structures by 0.00 A. Peak 46 from nnoeabs.peaks (3.64, 8.41, 118.68 ppm; 4.37 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 19 + H GLU 20 OK 100 100 100 100 3.4-3.6 3.6=100 HA VAL 48 - H GLU 20 far 0 97 0 - 8.2-9.4 Violated in 0 structures by 0.00 A. Peak 47 from nnoeabs.peaks (0.71, 8.41, 118.68 ppm; 3.73 A): 2 out of 3 assignments used, quality = 0.99: * HB2 LEU 19 + H GLU 20 OK 99 100 100 99 2.3-3.7 4.4=59, 1.8/48=56...(15) QD1 LEU 41 + H GLU 20 OK 35 97 40 89 4.4-6.0 4438/871=36, 4816/50=30...(16) QD1 ILE 17 - H GLU 20 far 5 98 5 - 5.1-6.7 Violated in 0 structures by 0.00 A. Peak 48 from nnoeabs.peaks (-0.76, 8.41, 118.68 ppm; 4.41 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 19 + H GLU 20 OK 100 100 100 100 2.3-4.0 4.4=98, 1.8/47=68...(9) Violated in 0 structures by 0.00 A. 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 100 100 100 100 4.2-4.9 4.8=100 Violated in 1 structures by 0.00 A. Peak 50 from nnoeabs.peaks (0.53, 8.41, 118.68 ppm; 5.07 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 19 + H GLU 20 OK 100 100 100 100 4.6-5.0 1281/3.6=90, 537/871=78...(11) Violated in 0 structures by 0.00 A. Peak 51 from nnoeabs.peaks (-0.28, 8.41, 118.68 ppm; 4.77 A): 1 out of 3 assignments used, quality = 1.00: * QD1 LEU 19 + H GLU 20 OK 100 100 100 100 4.0-4.8 538/871=71, 3.1/48=70...(11) HG2 ARG 55 - H GLU 20 poor 19 100 30 62 5.9-8.7 4696/4681=21...(6) HB3 ARG 55 - H GLU 20 far 0 100 0 - 7.6-8.9 Violated in 0 structures by 0.00 A. Peak 52 from nnoeabs.peaks (8.41, 8.31, 121.06 ppm; 3.37 A): 1 out of 2 assignments used, quality = 0.99: * H GLU 20 + H ARG 21 OK 99 100 100 99 2.5-2.9 872=70, 541/54=41...(15) H LEU 64 - H ARG 21 far 0 71 0 - 8.7-28.4 Violated in 0 structures by 0.00 A. Peak 53 from nnoeabs.peaks (4.22, 8.31, 121.06 ppm; 3.78 A): 2 out of 3 assignments used, quality = 1.00: * HA GLU 20 + H ARG 21 OK 100 100 100 100 3.5-3.6 3.6=100 HA GLU 18 + H ARG 21 OK 63 65 100 97 3.2-3.8 3692=48, 3.0/4134=40...(15) HA ARG 61 - H ARG 21 far 0 78 0 - 8.4-21.2 Violated in 0 structures by 0.00 A. Peak 54 from nnoeabs.peaks (2.16, 8.31, 121.06 ppm; 3.77 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 20 + H ARG 21 OK 100 100 100 100 2.4-3.9 4.1=77, 1.8/55=58...(9) Violated in 4 structures by 0.01 A. Peak 55 from nnoeabs.peaks (2.04, 8.31, 121.06 ppm; 3.57 A): 2 out of 2 assignments used, quality = 1.00: * HB3 GLU 20 + H ARG 21 OK 99 100 100 99 2.4-4.0 1.8/54=67, 4.1=65...(9) HB2 LYS 22 + H ARG 21 OK 36 90 65 62 4.5-6.4 4.0/873=43, 3701/953=19...(4) Violated in 12 structures by 0.05 A. Peak 56 from nnoeabs.peaks (2.46, 8.31, 121.06 ppm; 4.44 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 20 + H ARG 21 OK 100 100 100 100 2.3-4.5 3.0/54=75, 543/52=73...(8) HG3 GLN 15 - H ARG 21 far 0 78 0 - 8.3-11.6 Violated in 12 structures by 0.03 A. Peak 57 from nnoeabs.peaks (2.42, 8.31, 121.06 ppm; 4.25 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLU 20 + H ARG 21 OK 100 100 100 100 2.9-4.4 3.0/54=70, 544/52=67...(13) HG3 GLU 18 - H ARG 21 far 0 90 0 - 5.8-7.4 HD2 ARG 55 - H ARG 21 far 0 90 0 - 8.2-11.1 Violated in 7 structures by 0.04 A. Peak 58 from nnoeabs.peaks (8.31, 8.03, 120.92 ppm; 3.50 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 21 + H LYS 22 OK 100 100 100 100 2.7-3.1 873=100, 549/62=34...(10) Violated in 0 structures by 0.00 A. Peak 59 from nnoeabs.peaks (4.07, 8.03, 120.92 ppm; 4.30 A): 1 out of 4 assignments used, quality = 1.00: * HA ARG 21 + H LYS 22 OK 100 100 100 100 3.5-3.6 3.6=100 HA LEU 37 - H LYS 22 far 0 97 0 - 6.5-8.0 HA SER 24 - H LYS 22 far 0 99 0 - 6.6-7.0 HA GLU 33 - H LYS 22 far 0 100 0 - 8.8-10.6 Violated in 0 structures by 0.00 A. Peak 60 from nnoeabs.peaks (1.97, 8.03, 120.92 ppm; 3.26 A): 3 out of 6 assignments used, quality = 1.00: * HB2 ARG 21 + H LYS 22 OK 96 100 100 96 2.1-2.8 3392=39, 4.0/873=35...(15) HB3 ARG 21 + H LYS 22 OK 95 100 100 95 2.6-3.9 3393=39, 4.0/873=35...(14) HD3 LYS 22 + H LYS 22 OK 79 99 80 99 2.7-5.3 1465/2.9=45, 3.5/555=44...(16) HB3 GLU 18 - H LYS 22 far 3 60 5 - 4.7-5.5 HB2 GLU 18 - H LYS 22 far 0 60 0 - 5.5-6.4 HD3 ARG 55 - H LYS 22 far 0 100 0 - 9.5-11.1 Violated in 0 structures by 0.00 A. Peak 61 from nnoeabs.peaks (1.97, 8.03, 120.92 ppm; 3.26 A): 3 out of 7 assignments used, quality = 1.00: HB2 ARG 21 + H LYS 22 OK 96 100 100 96 2.1-2.8 3392=39, 4.0/873=35...(15) * HB3 ARG 21 + H LYS 22 OK 95 100 100 95 2.6-3.9 3393=39, 4.0/873=35...(14) HD3 LYS 22 + H LYS 22 OK 78 98 80 99 2.7-5.3 1465/2.9=44, 3.5/555=44...(16) HB3 GLU 18 - H LYS 22 far 3 68 5 - 4.7-5.5 HB2 GLU 18 - H LYS 22 far 0 68 0 - 5.5-6.4 HB3 GLN 63 - H LYS 22 far 0 65 0 - 9.5-27.5 HD3 ARG 55 - H LYS 22 far 0 100 0 - 9.5-11.1 Violated in 0 structures by 0.00 A. Peak 62 from nnoeabs.peaks (1.86, 8.03, 120.92 ppm; 4.34 A): 1 out of 4 assignments used, quality = 1.00: * HG2 ARG 21 + H LYS 22 OK 100 100 100 100 3.8-4.7 1352/3.6=69, 549/873=67...(8) HG LEU 41 - H LYS 22 far 0 99 0 - 6.5-8.2 HB ILE 17 - H LYS 22 far 0 81 0 - 7.1-8.2 HB2 GLU 33 - H LYS 22 far 0 73 0 - 7.7-9.7 Violated in 11 structures by 0.12 A. Peak 63 from nnoeabs.peaks (1.60, 8.03, 120.92 ppm; 4.83 A): 1 out of 4 assignments used, quality = 1.00: * HG3 ARG 21 + H LYS 22 OK 100 100 100 100 4.4-4.9 3395=92, 1.8/62=90...(7) HB2 LEU 41 - H LYS 22 far 0 95 0 - 8.7-10.3 HG3 ARG 34 - H LYS 22 far 0 87 0 - 9.0-10.5 HG3 ARG 61 - H LYS 22 far 0 98 0 - 9.3-23.2 Violated in 4 structures by 0.01 A. Peak 66 from nnoeabs.peaks (8.03, 8.99, 121.58 ppm; 3.84 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 22 + H PHE 23 OK 100 100 100 100 2.5-3.0 874=100, 555/4.3=47...(9) H ILE 17 - H PHE 23 far 0 83 0 - 9.2-9.8 H GLN 53 - H PHE 23 far 0 100 0 - 9.4-10.6 Violated in 0 structures by 0.00 A. Peak 67 from nnoeabs.peaks (4.35, 8.99, 121.58 ppm; 4.85 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 22 + H PHE 23 OK 100 100 100 100 3.5-3.6 3.6=100 HA LYS 49 - H PHE 23 far 0 76 0 - 9.3-10.8 Violated in 0 structures by 0.00 A. Peak 68 from nnoeabs.peaks (2.06, 8.99, 121.58 ppm; 4.46 A): 2 out of 4 assignments used, quality = 1.00: * HB2 LYS 22 + H PHE 23 OK 100 100 100 100 2.9-3.9 4.3=100 HB3 GLU 20 + H PHE 23 OK 56 90 95 66 5.2-6.0 3.0/3706=63, 3517/76=7 HB3 ARG 56 - H PHE 23 far 0 83 0 - 8.6-11.4 HB2 GLN 63 - H PHE 23 far 0 81 0 - 9.5-25.2 Violated in 0 structures by 0.00 A. Peak 69 from nnoeabs.peaks (2.38, 8.99, 121.58 ppm; 4.20 A): 1 out of 4 assignments used, quality = 0.99: * HB3 LYS 22 + H PHE 23 OK 99 100 100 99 2.3-3.3 4.3=95, 556/874=63...(4) HD2 ARG 55 - H PHE 23 far 0 65 0 - 7.8-10.2 HG3 GLU 18 - H PHE 23 far 0 65 0 - 8.8-9.9 HG2 GLN 63 - H PHE 23 far 0 78 0 - 9.4-27.5 Violated in 0 structures by 0.00 A. Peak 76 from nnoeabs.peaks (8.99, 8.13, 111.74 ppm; 3.94 A): 1 out of 1 assignment used, quality = 0.99: * H PHE 23 + H SER 24 OK 99 100 100 99 2.5-2.7 875=82, 874/962=50...(8) Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.4-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 78 from nnoeabs.peaks (3.15, 8.13, 111.74 ppm; 3.99 A): 1 out of 3 assignments used, quality = 0.99: * HB2 PHE 23 + H SER 24 OK 99 100 100 99 2.8-4.0 3408=79, 1.8/79=65...(7) HD2 ARG 61 - H SER 24 far 0 95 0 - 5.6-21.3 HD3 ARG 61 - H SER 24 far 0 95 0 - 6.1-20.6 Violated in 1 structures by 0.00 A. Peak 79 from nnoeabs.peaks (3.08, 8.13, 111.74 ppm; 4.40 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 23 + H SER 24 OK 100 100 100 100 2.4-4.3 3409=94, 1.8/78=87...(7) Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.3-4.4 4.4=100 Violated in 0 structures by 0.00 A. Peak 82 from nnoeabs.peaks (8.13, 7.63, 118.44 ppm; 4.08 A): 1 out of 2 assignments used, quality = 1.00: * H SER 24 + H HIS 25 OK 100 100 100 100 2.3-2.8 876=100, 571/4.4=27...(7) H LYS 27 - H HIS 25 far 0 99 0 - 6.5-6.9 Violated in 0 structures by 0.00 A. Peak 83 from nnoeabs.peaks (4.08, 7.63, 118.44 ppm; 4.42 A): 2 out of 5 assignments used, quality = 1.00: * HA SER 24 + H HIS 25 OK 100 100 100 100 3.4-3.6 3.6=100 HA ARG 21 + H HIS 25 OK 76 99 100 77 4.4-5.3 3713/876=53, 3714/4.4=29 HA GLU 33 - H HIS 25 far 0 99 0 - 9.8-11.1 HA LEU 37 - H HIS 25 far 0 87 0 - 9.9-11.7 HA ARG 56 - H HIS 25 far 0 100 0 - 10.0-12.1 Violated in 0 structures by 0.00 A. Peak 84 from nnoeabs.peaks (3.97, 7.63, 118.44 ppm; 4.43 A): 2 out of 3 assignments used, quality = 1.00: * HB2 SER 24 + H HIS 25 OK 100 100 100 100 2.9-4.3 4.4=100 HB3 SER 24 + H HIS 25 OK 100 100 100 100 2.4-4.1 4.4=100 HB2 SER 66 - H HIS 25 far 0 65 0 - 8.4-25.9 Violated in 0 structures by 0.00 A. Peak 85 from nnoeabs.peaks (3.97, 7.63, 118.44 ppm; 4.43 A): 2 out of 3 assignments used, quality = 1.00: * HB3 SER 24 + H HIS 25 OK 100 100 100 100 2.4-4.1 4.4=100 HB2 SER 24 + H HIS 25 OK 100 100 100 100 2.9-4.3 4.4=100 HB2 SER 66 - H HIS 25 far 0 60 0 - 8.4-25.9 Violated in 0 structures by 0.00 A. Peak 86 from nnoeabs.peaks (7.63, 8.51, 121.11 ppm; 3.28 A): 2 out of 2 assignments used, quality = 0.97: * H HIS 25 + H GLN 26 OK 95 100 100 95 2.3-2.7 877=86, 576/89=33...(8) HE22 GLN 26 + H GLN 26 OK 44 97 60 75 3.8-5.9 3.5/582=19, 3.5/583=19...(10) Violated in 0 structures by 0.00 A. Peak 87 from nnoeabs.peaks (4.70, 8.51, 121.11 ppm; 4.45 A): 1 out of 2 assignments used, quality = 1.00: * HA HIS 25 + H GLN 26 OK 100 100 100 100 3.4-3.6 3.6=100 HA TYR 28 - H GLN 26 far 0 83 0 - 6.4-7.7 Violated in 0 structures by 0.00 A. Peak 88 from nnoeabs.peaks (3.37, 8.51, 121.11 ppm; 4.08 A): 1 out of 1 assignment used, quality = 1.00: * HB2 HIS 25 + H GLN 26 OK 100 100 100 100 2.7-4.1 4.2=93, 1.8/89=80...(8) Violated in 0 structures by 0.00 A. Peak 89 from nnoeabs.peaks (3.31, 8.51, 121.11 ppm; 3.91 A): 1 out of 1 assignment used, quality = 0.99: * HB3 HIS 25 + H GLN 26 OK 99 100 100 99 2.6-4.0 4.2=82, 1.8/88=71...(8) Violated in 1 structures by 0.00 A. 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 100 100 100 100 4.2-4.4 4.6=100 H LEU 29 + H LYS 27 OK 21 100 25 86 5.9-6.6 4.5/879=62, 4.5/4199=49...(6) Violated in 0 structures by 0.00 A. Peak 92 from nnoeabs.peaks (4.49, 8.12, 119.98 ppm; 2.84 A): 1 out of 1 assignment used, quality = 0.85: * HA GLN 26 + H LYS 27 OK 85 100 100 85 2.3-2.4 3419=59, 4213/879=21...(7) Violated in 0 structures by 0.00 A. Peak 93 from nnoeabs.peaks (2.02, 8.12, 119.98 ppm; 3.77 A): 2 out of 3 assignments used, quality = 1.00: * HB2 GLN 26 + H LYS 27 OK 97 100 100 97 2.5-4.2 3.0/92=73, 4.7=53...(7) HB3 GLN 26 + H LYS 27 OK 97 100 100 97 2.8-4.1 3.0/92=73, 4.7=53...(7) HB3 ARG 56 - H LYS 27 far 0 93 0 - 5.6-11.1 Violated in 0 structures by 0.00 A. Peak 94 from nnoeabs.peaks (2.02, 8.12, 119.98 ppm; 3.77 A): 2 out of 3 assignments used, quality = 1.00: HB2 GLN 26 + H LYS 27 OK 97 100 100 97 2.5-4.2 3.0/92=73, 4.7=53...(7) * HB3 GLN 26 + H LYS 27 OK 97 100 100 97 2.8-4.1 3.0/92=73, 4.7=53...(7) HB3 ARG 56 - H LYS 27 far 0 93 0 - 5.6-11.1 Violated in 0 structures by 0.00 A. Peak 95 from nnoeabs.peaks (2.29, 8.12, 119.98 ppm; 4.17 A): 2 out of 4 assignments used, quality = 1.00: HG3 GLN 26 + H LYS 27 OK 98 100 100 98 3.2-4.6 3.9/92=68, 4.9=61...(9) * HG2 GLN 26 + H LYS 27 OK 98 100 100 98 3.0-4.6 3.9/92=68, 4.9=61...(9) HG2 GLU 67 - H LYS 27 far 0 99 0 - 7.5-27.1 HB3 GLU 33 - H LYS 27 far 0 60 0 - 9.2-10.3 Violated in 0 structures by 0.00 A. Peak 96 from nnoeabs.peaks (2.29, 8.12, 119.98 ppm; 4.17 A): 2 out of 4 assignments used, quality = 1.00: * HG3 GLN 26 + H LYS 27 OK 98 100 100 98 3.2-4.6 3.9/92=68, 4.9=61...(9) HG2 GLN 26 + H LYS 27 OK 98 100 100 98 3.0-4.6 3.9/92=68, 4.9=61...(9) HG2 GLU 67 - H LYS 27 far 0 98 0 - 7.5-27.1 HB3 GLU 33 - H LYS 27 far 0 63 0 - 9.2-10.3 Violated in 0 structures by 0.00 A. Peak 99 from nnoeabs.peaks (8.12, 7.50, 113.08 ppm; 3.87 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 27 + H TYR 28 OK 100 100 100 100 2.2-2.7 879=100, 589/4.1=51...(10) H LEU 68 - HD21 ASN 54 far 0 37 0 - 6.4-29.0 H SER 24 - H TYR 28 far 0 99 0 - 8.2-9.6 Violated in 0 structures by 0.00 A. Peak 100 from nnoeabs.peaks (3.90, 7.50, 113.08 ppm; 4.56 A): 1 out of 3 assignments used, quality = 1.00: * HA LYS 27 + H TYR 28 OK 100 100 100 100 3.4-3.6 3.6=100 HB2 SER 65 - HD21 ASN 54 far 0 28 0 - 9.3-25.3 HA THR 46 - HD21 ASN 54 far 0 55 0 - 9.8-12.2 Violated in 0 structures by 0.00 A. Peak 101 from nnoeabs.peaks (1.42, 7.50, 113.08 ppm; 5.41 A): 1 out of 6 assignments used, quality = 1.00: * HB2 LYS 27 + H TYR 28 OK 100 100 100 100 3.4-4.2 4.1=100 HG3 LYS 49 - H TYR 28 far 4 83 5 - 6.9-12.1 HG3 LYS 49 - HD21 ASN 54 far 0 40 0 - 7.8-10.7 HG3 LYS 62 - HD21 ASN 54 far 0 46 0 - 8.1-22.7 HG2 LYS 62 - HD21 ASN 54 far 0 46 0 - 8.3-21.3 HG3 LYS 60 - HD21 ASN 54 far 0 52 0 - 9.1-18.4 Violated in 0 structures by 0.00 A. Peak 102 from nnoeabs.peaks (1.56, 7.50, 113.08 ppm; 4.76 A): 1 out of 7 assignments used, quality = 1.00: * HB3 LYS 27 + H TYR 28 OK 100 100 100 100 2.0-3.1 4.1=100 HD3 LYS 58 - HD21 ASN 54 far 0 40 0 - 6.8-13.0 HD2 LYS 58 - HD21 ASN 54 far 0 40 0 - 6.9-13.0 HG2 LYS 49 - HD21 ASN 54 far 0 50 0 - 7.2-11.3 HG2 LYS 49 - H TYR 28 far 0 97 0 - 8.3-11.7 HG3 ARG 34 - H TYR 28 far 0 68 0 - 8.5-9.8 HG LEU 37 - H TYR 28 far 0 100 0 - 9.5-12.9 Violated in 0 structures by 0.00 A. Peak 109 from nnoeabs.peaks (7.50, 8.50, 122.84 ppm; 5.01 A): 2 out of 2 assignments used, quality = 1.00: * H TYR 28 + H LEU 29 OK 100 100 100 100 3.9-4.5 4.5=100 QE PHE 52 + H LEU 29 OK 45 68 100 66 2.8-5.2 4708/4.8=37, 4724/608=35...(5) Violated in 0 structures by 0.00 A. Peak 110 from nnoeabs.peaks (4.72, 8.50, 122.84 ppm; 3.27 A): 1 out of 2 assignments used, quality = 0.93: * HA TYR 28 + H LEU 29 OK 93 100 100 93 2.1-2.2 3.6=77, 3.0/111=39...(4) HA HIS 25 - H LEU 29 far 0 83 0 - 9.2-10.9 Violated in 0 structures by 0.00 A. Peak 111 from nnoeabs.peaks (2.95, 8.50, 122.84 ppm; 3.98 A): 1 out of 2 assignments used, quality = 0.97: * HB2 TYR 28 + H LEU 29 OK 97 100 100 97 3.1-3.9 3.0/110=71, 3434=66, 1.8/112=65 HE3 LYS 22 - H LEU 29 far 0 100 0 - 6.8-9.7 Violated in 0 structures by 0.00 A. Peak 112 from nnoeabs.peaks (2.72, 8.50, 122.84 ppm; 4.38 A): 1 out of 2 assignments used, quality = 1.00: * HB3 TYR 28 + H LEU 29 OK 100 100 100 100 4.0-4.4 1.8/111=87, 4.7=84, 3.0/110=81 HD2 ARG 56 - H LEU 29 far 0 100 0 - 6.6-11.6 Violated in 5 structures by 0.00 A. 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 100 100 100 100 4.0-4.9 4.5=100 Violated in 1 structures by 0.00 A. Peak 116 from nnoeabs.peaks (4.58, 8.98, 118.86 ppm; 2.95 A): 2 out of 2 assignments used, quality = 0.98: * HA LEU 29 + H SER 30 OK 96 100 100 96 2.2-2.6 3438=83, 3.0/117=32...(8) HA SER 30 + H SER 30 OK 57 57 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 117 from nnoeabs.peaks (1.24, 8.98, 118.86 ppm; 3.92 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 29 + H SER 30 OK 100 100 100 100 2.0-3.2 3439=77, 3.0/3438=72...(12) Violated in 0 structures by 0.00 A. Peak 118 from nnoeabs.peaks (1.46, 8.98, 118.86 ppm; 4.32 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 29 + H SER 30 OK 100 100 100 100 3.4-4.3 4.4=96, 1.8/117=86...(12) QB ALA 35 - H SER 30 far 0 71 0 - 6.5-7.9 Violated in 0 structures by 0.00 A. Peak 121 from nnoeabs.peaks (0.46, 8.98, 118.86 ppm; 4.05 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 29 + H SER 30 OK 100 100 100 100 2.4-3.7 1722/3438=70, 3.1/117=60...(15) Violated in 0 structures by 0.00 A. Peak 123 from nnoeabs.peaks (4.55, 9.18, 123.12 ppm; 3.66 A): 1 out of 2 assignments used, quality = 1.00: * HA SER 30 + H ALA 31 OK 100 100 100 100 2.4-3.6 3.6=100 HA LEU 29 - H ALA 31 far 3 57 5 - 4.9-6.6 Violated in 0 structures by 0.00 A. Peak 124 from nnoeabs.peaks (4.01, 9.18, 123.12 ppm; 4.39 A): 1 out of 2 assignments used, quality = 1.00: * HB2 SER 30 + H ALA 31 OK 100 100 100 100 2.1-3.6 4.4=96, 4291/4270=55...(10) HA ALA 35 - H ALA 31 far 0 60 0 - 8.2-9.0 Violated in 0 structures by 0.00 A. Peak 125 from nnoeabs.peaks (4.22, 9.18, 123.12 ppm; 3.67 A): 2 out of 2 assignments used, quality = 1.00: * HB3 SER 30 + H ALA 31 OK 97 100 100 97 2.0-3.5 4.4=56, 1.8/124=54...(8) HA ALA 31 + H ALA 31 OK 95 95 100 100 2.7-2.9 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.5-3.6 3.5=100 Violated in 0 structures by 0.00 A. Peak 127 from nnoeabs.peaks (1.80, 7.21, 117.78 ppm; 3.96 A): 1 out of 2 assignments used, quality = 1.00: * HB2 PRO 32 + H GLU 33 OK 100 100 100 100 2.9-4.1 3.6=100 HD2 LYS 22 - H GLU 33 far 0 76 0 - 7.7-10.7 Violated in 8 structures by 0.02 A. Peak 128 from nnoeabs.peaks (2.31, 7.21, 117.78 ppm; 3.18 A): 3 out of 5 assignments used, quality = 1.00: HB3 GLU 33 + H GLU 33 OK 96 98 100 98 2.1-3.6 4.0=50, 3.0/1843=37...(21) * HB3 PRO 32 + H GLU 33 OK 96 100 100 96 2.9-4.0 3.6=67, 2.3/130=34...(11) HG2 GLU 33 + H GLU 33 OK 89 92 100 97 2.3-4.1 1.8/621=46, 1843=44...(14) HG2 GLN 26 - H GLU 33 far 0 83 0 - 8.2-11.1 HG3 GLN 26 - H GLU 33 far 0 85 0 - 8.2-10.5 Violated in 0 structures by 0.00 A. Peak 129 from nnoeabs.peaks (1.98, 7.21, 117.78 ppm; 4.84 A): 1 out of 2 assignments used, quality = 1.00: * HG2 PRO 32 + H GLU 33 OK 100 100 100 100 2.0-3.7 3452=92, 1.8/130=88...(10) HD3 LYS 22 - H GLU 33 far 0 81 0 - 6.9-10.8 Violated in 0 structures by 0.00 A. Peak 130 from nnoeabs.peaks (2.10, 7.21, 117.78 ppm; 4.45 A): 1 out of 2 assignments used, quality = 1.00: * HG3 PRO 32 + H GLU 33 OK 100 100 100 100 1.9-3.9 3453=94, 2.3/131=74...(12) HG3 GLU 45 - H GLU 33 far 0 65 0 - 7.8-9.4 Violated in 0 structures by 0.00 A. Peak 131 from nnoeabs.peaks (3.91, 7.21, 117.78 ppm; 4.30 A): 1 out of 1 assignment used, quality = 1.00: * HD2 PRO 32 + H GLU 33 OK 100 100 100 100 2.6-3.8 3447=99, 1795/3.5=69...(13) Violated in 0 structures by 0.00 A. Peak 132 from nnoeabs.peaks (3.80, 7.21, 117.78 ppm; 4.69 A): 2 out of 2 assignments used, quality = 1.00: * HD3 PRO 32 + H GLU 33 OK 100 100 100 100 2.7-3.9 3448=100, 1.8/131=87...(11) HA ARG 34 + H GLU 33 OK 96 97 100 98 5.2-5.6 2.9/133=88, 3.6/979=60...(6) Violated in 0 structures by 0.00 A. Peak 133 from nnoeabs.peaks (7.21, 8.73, 121.67 ppm; 3.33 A): 1 out of 1 assignment used, quality = 0.99: * H GLU 33 + H ARG 34 OK 99 100 100 99 2.6-3.1 883=82, 4.0/3455=32...(14) Violated in 0 structures by 0.00 A. Peak 134 from nnoeabs.peaks (4.07, 8.73, 121.67 ppm; 4.38 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 33 + H ARG 34 OK 100 100 100 100 3.5-3.6 3.6=100 HA LEU 37 - H ARG 34 far 0 96 0 - 7.4-7.8 Violated in 0 structures by 0.00 A. Peak 135 from nnoeabs.peaks (1.88, 8.73, 121.67 ppm; 3.06 A): 2 out of 4 assignments used, quality = 0.99: * HB2 GLU 33 + H ARG 34 OK 98 100 100 98 2.4-3.9 3455=44, 1827/3.6=40...(13) HB3 ARG 34 + H ARG 34 OK 71 73 100 97 2.2-2.5 1.8/624=65, 3.9=49...(13) HB3 LYS 49 - H ARG 34 far 0 100 0 - 8.4-10.2 HG LEU 41 - H ARG 34 far 0 90 0 - 9.3-11.3 Violated in 0 structures by 0.00 A. Peak 136 from nnoeabs.peaks (2.32, 8.73, 121.67 ppm; 3.46 A): 2 out of 5 assignments used, quality = 1.00: * HB3 GLU 33 + H ARG 34 OK 99 100 100 99 2.1-3.8 1.8/3455=57, 4.6=42...(16) HG2 GLU 33 + H ARG 34 OK 77 99 80 97 4.1-5.2 1.8/138=46, 3.0/3455=44...(12) HB3 PRO 32 - H ARG 34 far 0 98 0 - 5.0-6.2 HG3 GLN 26 - H ARG 34 far 0 63 0 - 7.4-10.5 HG2 GLN 26 - H ARG 34 far 0 60 0 - 7.4-11.0 Violated in 1 structures by 0.00 A. Peak 137 from nnoeabs.peaks (2.32, 8.73, 121.67 ppm; 3.46 A): 2 out of 3 assignments used, quality = 1.00: HB3 GLU 33 + H ARG 34 OK 98 99 100 99 2.1-3.8 1.8/3455=57, 4.6=42...(16) * HG2 GLU 33 + H ARG 34 OK 78 100 80 97 4.1-5.2 1.8/138=46, 3.0/3455=44...(12) HB3 PRO 32 - H ARG 34 far 0 92 0 - 5.0-6.2 Violated in 1 structures by 0.00 A. Peak 138 from nnoeabs.peaks (2.23, 8.73, 121.67 ppm; 4.44 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 33 + H ARG 34 OK 100 100 100 100 4.0-4.7 1830/3.6=73, 3.0/3455=70...(11) Violated in 11 structures by 0.05 A. Peak 139 from nnoeabs.peaks (8.73, 8.15, 120.97 ppm; 3.18 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 34 + H ALA 35 OK 100 100 100 100 2.5-2.9 884=99, 624/141=44...(16) Violated in 0 structures by 0.00 A. Peak 140 from nnoeabs.peaks (3.79, 8.15, 120.97 ppm; 3.97 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 34 + H ALA 35 OK 100 100 100 100 3.5-3.6 3.6=100 HD3 PRO 32 - H ALA 35 far 0 97 0 - 5.7-6.2 Violated in 0 structures by 0.00 A. Peak 141 from nnoeabs.peaks (1.94, 8.15, 120.97 ppm; 3.37 A): 1 out of 4 assignments used, quality = 0.98: * HB2 ARG 34 + H ALA 35 OK 98 100 100 98 2.4-2.9 3460=66, 1.8/142=59...(12) HB3 LYS 39 - H ALA 35 far 0 93 0 - 6.2-6.9 HD3 LYS 22 - H ALA 35 far 0 78 0 - 6.6-10.2 HB2 LYS 39 - H ALA 35 far 0 90 0 - 7.9-8.3 Violated in 0 structures by 0.00 A. Peak 142 from nnoeabs.peaks (1.86, 8.15, 120.97 ppm; 3.81 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ARG 34 + H ALA 35 OK 100 100 100 100 3.5-3.9 1.8/141=85, 3461=77...(14) HB2 GLU 33 - H ALA 35 poor 18 73 25 - 4.9-5.8 HG LEU 41 - H ALA 35 far 0 99 0 - 8.6-10.8 HB3 LYS 49 - H ALA 35 far 0 78 0 - 8.8-10.2 Violated in 4 structures by 0.01 A. Peak 143 from nnoeabs.peaks (1.34, 8.15, 120.97 ppm; 4.17 A): 2 out of 2 assignments used, quality = 1.00: * HG2 ARG 34 + H ALA 35 OK 100 100 100 100 3.9-4.6 3.0/141=75, 3.0/142=68...(13) QB ALA 38 + H ALA 35 OK 99 100 100 99 4.4-4.8 3748/3.0=76, 4412/3.6=44...(14) Violated in 0 structures by 0.00 A. Peak 144 from nnoeabs.peaks (1.59, 8.15, 120.97 ppm; 4.37 A): 2 out of 4 assignments used, quality = 1.00: * HG3 ARG 34 + H ALA 35 OK 100 100 100 100 4.6-5.0 3.0/141=80, 3.0/142=73...(13) QB ALA 31 + H ALA 35 OK 60 63 100 95 4.9-5.3 2.1/3725=66, 4.5/980=51...(11) HG LEU 37 - H ALA 35 far 0 68 0 - 6.8-7.8 HG2 LYS 49 - H ALA 35 far 0 92 0 - 9.8-12.6 Violated in 18 structures by 0.06 A. Peak 147 from nnoeabs.peaks (8.15, 7.99, 118.30 ppm; 3.26 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 35 + H HIS 36 OK 100 100 100 100 2.7-2.9 885=92, 632/149=61...(9) Violated in 0 structures by 0.00 A. Peak 148 from nnoeabs.peaks (3.98, 7.99, 118.30 ppm; 3.94 A): 1 out of 2 assignments used, quality = 1.00: * HA ALA 35 + H HIS 36 OK 100 100 100 100 3.5-3.6 3.6=100 HB2 SER 30 - H HIS 36 far 0 60 0 - 7.3-10.1 Violated in 0 structures by 0.00 A. Peak 149 from nnoeabs.peaks (1.49, 7.99, 118.30 ppm; 3.03 A): 1 out of 3 assignments used, quality = 0.95: * QB ALA 35 + H HIS 36 OK 95 100 100 95 2.1-2.6 3467=79, 632/147=49...(7) HB3 LEU 29 - H HIS 36 far 0 71 0 - 7.1-8.2 HG LEU 43 - H ILE 17 far 0 47 0 - 9.5-10.6 Violated in 0 structures by 0.00 A. Peak 150 from nnoeabs.peaks (7.99, 8.07, 120.69 ppm; 3.32 A): 2 out of 3 assignments used, quality = 1.00: * H HIS 36 + H LEU 37 OK 100 100 100 100 2.7-2.9 886=100, 147/989=40...(10) H ASN 40 + H LEU 37 OK 47 63 100 75 4.5-4.7 3758/3.0=29, 4.7/992=22...(10) H LEU 19 - H LEU 37 far 0 99 0 - 9.3-10.7 Violated in 0 structures by 0.00 A. Peak 151 from nnoeabs.peaks (4.32, 8.07, 120.69 ppm; 3.95 A): 1 out of 3 assignments used, quality = 1.00: * HA HIS 36 + H LEU 37 OK 100 100 100 100 3.5-3.6 3.6=100 HA LEU 41 - H LEU 37 far 0 76 0 - 8.4-8.9 HA LYS 49 - H LEU 37 far 0 97 0 - 9.6-11.3 Violated in 0 structures by 0.00 A. Peak 152 from nnoeabs.peaks (3.19, 8.07, 120.69 ppm; 3.08 A): 2 out of 3 assignments used, quality = 0.97: * HB2 HIS 36 + H LEU 37 OK 85 100 100 85 2.7-3.6 3469=38, 4.0/886=35...(10) HB3 HIS 36 + H LEU 37 OK 82 100 100 82 2.6-3.4 3469=37, 4.0/886=35...(10) HD2 ARG 21 - H LEU 37 far 0 95 0 - 9.9-13.6 Violated in 0 structures by 0.00 A. Peak 153 from nnoeabs.peaks (3.19, 8.07, 120.69 ppm; 3.08 A): 2 out of 3 assignments used, quality = 0.97: HB2 HIS 36 + H LEU 37 OK 85 100 100 85 2.7-3.6 3470=38, 4.0/886=35...(10) * HB3 HIS 36 + H LEU 37 OK 82 100 100 82 2.6-3.4 3470=37, 4.0/886=35...(10) HD2 ARG 21 - H LEU 37 far 0 96 0 - 9.9-13.6 Violated in 0 structures by 0.00 A. Peak 155 from nnoeabs.peaks (8.07, 8.44, 119.33 ppm; 3.24 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 37 + H ALA 38 OK 100 100 100 100 2.7-2.9 887=100, 641/158=49...(20) H LEU 41 + H ALA 38 OK 71 97 90 81 4.6-4.8 890/1004=31, 1009/2.9=28...(9) H GLN 47 - H ALA 38 far 0 92 0 - 7.3-8.8 Violated in 0 structures by 0.00 A. Peak 156 from nnoeabs.peaks (4.06, 8.44, 119.33 ppm; 3.91 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 37 + H ALA 38 OK 100 100 100 100 3.6-3.6 3.6=100 HA LYS 39 - H ALA 38 far 4 76 5 - 5.4-5.6 HA GLU 33 - H ALA 38 far 0 95 0 - 6.6-7.4 HB THR 46 - H ALA 38 far 0 100 0 - 9.7-11.1 Violated in 0 structures by 0.00 A. Peak 157 from nnoeabs.peaks (1.66, 8.44, 119.33 ppm; 3.70 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LEU 37 + H ALA 38 OK 100 100 100 100 2.5-3.8 3473=88, 1.8/158=84...(12) HG3 LYS 22 - H ALA 38 far 0 93 0 - 5.4-8.5 HD3 LYS 42 - H ALA 38 far 0 100 0 - 8.4-10.1 Violated in 6 structures by 0.02 A. Peak 158 from nnoeabs.peaks (1.73, 8.44, 119.33 ppm; 3.29 A): 1 out of 3 assignments used, quality = 0.99: * HB3 LEU 37 + H ALA 38 OK 99 100 100 99 2.1-2.7 3474=63, 1.8/157=59...(14) HG2 LYS 22 - H ALA 38 far 0 87 0 - 5.5-8.5 HD2 LYS 42 - H ALA 38 far 0 96 0 - 8.4-10.4 Violated in 0 structures by 0.00 A. Peak 159 from nnoeabs.peaks (1.56, 8.44, 119.33 ppm; 4.06 A): 3 out of 5 assignments used, quality = 1.00: * HG LEU 37 + H ALA 38 OK 100 100 100 100 2.8-4.8 2.1/160=77, 3.0/158=74...(15) HG3 LYS 39 + H ALA 38 OK 78 92 90 94 5.0-6.1 653/888=51, 2.9/4415=48...(7) HG3 ARG 34 + H ALA 38 OK 61 68 100 90 4.0-5.4 4.0/996=44, 1.8/647=27...(11) QB ALA 31 - H ALA 38 far 0 100 0 - 8.8-9.2 HG2 LYS 49 - H ALA 38 far 0 97 0 - 9.9-12.5 Violated in 0 structures by 0.00 A. Peak 160 from nnoeabs.peaks (0.92, 8.44, 119.33 ppm; 3.77 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 37 + H ALA 38 OK 100 100 100 100 3.9-4.2 3.1/158=63, 3.1/157=56...(15) Violated in 20 structures by 0.27 A. Peak 161 from nnoeabs.peaks (0.96, 8.44, 119.33 ppm; 3.59 A): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 37 + H ALA 38 OK 100 100 100 100 2.5-4.3 2.1/160=63, 3.1/158=58...(16) QG2 VAL 48 + H ALA 38 OK 94 97 100 97 2.6-3.7 4405/1982=62, ~4409=26...(20) Violated in 0 structures by 0.00 A. Peak 162 from nnoeabs.peaks (8.44, 7.67, 116.42 ppm; 3.20 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 38 + H LYS 39 OK 100 100 100 100 2.8-3.1 888=100, 1982/164=54...(14) Violated in 0 structures by 0.00 A. Peak 163 from nnoeabs.peaks (3.61, 7.67, 116.42 ppm; 4.00 A): 1 out of 4 assignments used, quality = 1.00: * HA ALA 38 + H LYS 39 OK 100 100 100 100 3.5-3.6 3.6=100 HA GLU 45 - H LYS 39 far 0 60 0 - 5.8-6.8 HA VAL 48 - H LYS 39 far 0 90 0 - 8.5-9.6 HA LEU 19 - H LYS 39 far 0 65 0 - 9.4-10.5 Violated in 0 structures by 0.00 A. Peak 164 from nnoeabs.peaks (1.34, 7.67, 116.42 ppm; 3.00 A): 1 out of 4 assignments used, quality = 0.92: * QB ALA 38 + H LYS 39 OK 92 100 100 92 2.2-2.6 3.6=58, 1982/888=45...(9) HG2 ARG 34 - H LYS 39 far 0 100 0 - 5.9-6.8 HG2 LYS 42 - H LYS 39 far 0 97 0 - 7.3-9.0 HG3 LYS 42 - H LYS 39 far 0 97 0 - 7.3-9.1 Violated in 0 structures by 0.00 A. Peak 165 from nnoeabs.peaks (7.67, 8.02, 117.69 ppm; 3.21 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 39 + H ASN 40 OK 100 100 100 100 2.6-2.8 889=100, 888/1004=29...(19) H VAL 48 - H ASN 40 far 0 98 0 - 9.0-9.9 Violated in 0 structures by 0.00 A. Peak 166 from nnoeabs.peaks (4.08, 8.02, 117.69 ppm; 3.49 A): 2 out of 3 assignments used, quality = 1.00: * HA LYS 39 + H ASN 40 OK 100 100 100 100 3.5-3.5 3.6=93, 3.0/889=60...(11) HA LEU 37 + H ASN 40 OK 76 78 100 97 3.4-3.6 3758=56, 3762/2087=35...(15) HA GLU 33 - H ASN 40 far 0 97 0 - 8.4-9.2 Violated in 0 structures by 0.00 A. Peak 167 from nnoeabs.peaks (1.92, 8.02, 117.69 ppm; 3.05 A): 2 out of 3 assignments used, quality = 1.00: HB3 LYS 39 + H ASN 40 OK 95 100 100 95 3.2-3.7 4.1=40, 3.9/889=33...(13) * HB2 LYS 39 + H ASN 40 OK 94 100 100 94 4.0-4.2 4.1=40, 3.9/889=33...(12) HB2 ARG 34 - H ASN 40 far 0 90 0 - 8.8-9.3 Violated in 20 structures by 0.29 A. Peak 168 from nnoeabs.peaks (1.92, 8.02, 117.69 ppm; 3.05 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LYS 39 + H ASN 40 OK 95 100 100 95 3.2-3.7 4.1=40, 3.9/889=33...(13) HB2 LYS 39 + H ASN 40 OK 94 100 100 94 4.0-4.2 4.1=40, 3.9/889=33...(12) HB2 ARG 34 - H ASN 40 far 0 93 0 - 8.8-9.3 Violated in 20 structures by 0.29 A. Peak 169 from nnoeabs.peaks (1.43, 8.02, 117.69 ppm; 4.36 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 39 + H ASN 40 OK 100 100 100 100 2.8-3.8 3483=73, 1989/3.6=66...(12) HB3 LEU 41 - H ASN 40 far 15 100 15 - 4.7-6.2 Violated in 0 structures by 0.00 A. Peak 170 from nnoeabs.peaks (1.54, 8.02, 117.69 ppm; 4.46 A): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 39 + H ASN 40 OK 100 100 100 100 2.1-2.8 1.8/169=80, 653/889=72...(14) HG LEU 37 + H ASN 40 OK 59 92 70 92 5.1-6.9 4.3/3758=58, 2.1/4420=39...(8) Violated in 0 structures by 0.00 A. Peak 175 from nnoeabs.peaks (8.02, 8.06, 116.05 ppm; 2.62 A): 1 out of 3 assignments used, quality = 1.00: * H ASN 40 + H LEU 41 OK 100 100 100 100 2.5-2.6 890=100, 3.0/3489=29...(18) H HIS 36 - H LEU 41 far 0 63 0 - 7.9-8.2 H LYS 22 - H LEU 41 far 0 96 0 - 9.0-10.5 Violated in 0 structures by 0.00 A. Peak 176 from nnoeabs.peaks (4.37, 8.06, 116.05 ppm; 3.61 A): 1 out of 3 assignments used, quality = 1.00: * HA ASN 40 + H LEU 41 OK 100 100 100 100 3.5-3.5 3.6=100 HB2 SER 12 - H LEU 41 far 0 100 0 - 8.9-10.7 HA LYS 22 - H LEU 41 far 0 81 0 - 10.0-11.9 Violated in 0 structures by 0.00 A. Peak 177 from nnoeabs.peaks (2.76, 8.06, 116.05 ppm; 3.82 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 40 + H LEU 41 OK 100 100 100 100 2.9-3.2 660/890=84, 1.8/3491=83...(11) Violated in 0 structures by 0.00 A. Peak 178 from nnoeabs.peaks (2.70, 8.06, 116.05 ppm; 4.01 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 40 + H LEU 41 OK 100 100 100 100 3.1-3.4 3491=100, 2087/890=82...(9) Violated in 0 structures by 0.00 A. Peak 181 from nnoeabs.peaks (8.06, 7.90, 117.73 ppm; 3.15 A): 1 out of 3 assignments used, quality = 0.98: * H LEU 41 + H LYS 42 OK 98 100 100 98 2.3-2.6 891=79, 666/183=31...(11) H LEU 37 - H LYS 42 far 0 97 0 - 7.5-8.2 H GLN 47 - H LYS 42 far 0 100 0 - 9.7-10.2 Violated in 0 structures by 0.00 A. Peak 182 from nnoeabs.peaks (4.34, 7.90, 117.73 ppm; 3.89 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 41 + H LYS 42 OK 100 100 100 100 3.1-3.4 3.6=100 HA HIS 36 - H LYS 42 far 0 76 0 - 7.7-8.1 Violated in 0 structures by 0.00 A. Peak 183 from nnoeabs.peaks (1.62, 7.90, 117.73 ppm; 4.21 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LEU 41 + H LYS 42 OK 100 100 100 100 3.2-4.3 4.6=75, 666/181=74...(8) HB3 LEU 43 - H LYS 42 far 0 93 0 - 6.1-6.3 HB3 GLN 15 - H LYS 42 far 0 90 0 - 6.2-9.5 Violated in 3 structures by 0.02 A. Peak 184 from nnoeabs.peaks (1.43, 7.90, 117.73 ppm; 4.56 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LEU 41 + H LYS 42 OK 100 100 100 100 3.5-4.4 4.6=95, 1.8/183=86...(8) HG2 LYS 39 + H LYS 42 OK 73 100 100 73 4.9-5.4 1989/4466=62, 667/181=29 Violated in 0 structures by 0.00 A. Peak 185 from nnoeabs.peaks (1.87, 7.90, 117.73 ppm; 3.94 A): 2 out of 2 assignments used, quality = 0.89: HB2 LYS 42 + H LYS 42 OK 76 76 100 100 3.9-4.1 4.0=98, 3.0/672=79...(13) * HG LEU 41 + H LYS 42 OK 54 100 55 98 4.5-5.7 668/181=65, 2.1/186=55...(7) Violated in 1 structures by 0.00 A. Peak 186 from nnoeabs.peaks (0.75, 7.90, 117.73 ppm; 4.59 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 41 + H LYS 42 OK 100 100 100 100 3.9-4.2 2098/3.6=84, 669/181=75...(7) Violated in 0 structures by 0.00 A. Peak 187 from nnoeabs.peaks (0.72, 7.90, 117.73 ppm; 4.66 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 41 + H LYS 42 OK 100 100 100 100 5.0-5.4 2099/3.6=84, 670/181=78...(7) HB2 LEU 19 - H LYS 42 far 0 97 0 - 9.6-11.7 Violated in 20 structures by 0.52 A. Peak 188 from nnoeabs.peaks (7.90, 8.33, 119.56 ppm; 3.24 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 42 + H LEU 43 OK 100 100 100 100 2.5-2.8 892=100, 672/189=57...(13) Violated in 0 structures by 0.00 A. Peak 189 from nnoeabs.peaks (3.98, 8.33, 119.56 ppm; 3.06 A): 1 out of 3 assignments used, quality = 0.96: * HA LYS 42 + H LEU 43 OK 96 100 100 96 2.9-3.0 3498=80, 672/892=49...(7) HA ALA 35 - H LEU 43 far 0 100 0 - 7.3-7.9 HA GLN 47 - H LEU 43 far 0 78 0 - 8.6-9.3 Violated in 0 structures by 0.00 A. Peak 190 from nnoeabs.peaks (1.89, 8.33, 119.56 ppm; 4.46 A): 2 out of 2 assignments used, quality = 1.00: * HB2 LYS 42 + H LEU 43 OK 100 100 100 100 4.4-4.6 4.7=88, 1.8/3500=88...(6) HG LEU 41 + H LEU 43 OK 72 76 100 95 4.8-5.5 4407/4394=49...(9) Violated in 0 structures by 0.00 A. Peak 191 from nnoeabs.peaks (2.15, 8.33, 119.56 ppm; 4.90 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LYS 42 + H LEU 43 OK 100 100 100 100 4.0-4.1 4.7=100 HB VAL 48 - H LEU 43 far 0 97 0 - 6.9-8.3 Violated in 0 structures by 0.00 A. Peak 192 from nnoeabs.peaks (1.35, 8.33, 119.56 ppm; 3.77 A): 2 out of 4 assignments used, quality = 0.99: QB ALA 38 + H LEU 43 OK 95 97 100 98 3.4-3.8 2.1/4485=69, 4394=57...(11) * HG2 LYS 42 + H LEU 43 OK 80 100 85 94 4.6-6.0 3.9/189=54, 2.9/3500=54...(6) HG3 LYS 42 - H LEU 43 far 15 100 15 - 4.9-5.8 HG2 ARG 34 - H LEU 43 far 0 95 0 - 8.0-8.9 Violated in 0 structures by 0.00 A. Peak 193 from nnoeabs.peaks (1.35, 8.33, 119.56 ppm; 3.77 A): 2 out of 4 assignments used, quality = 0.99: QB ALA 38 + H LEU 43 OK 95 97 100 98 3.4-3.8 2.1/4485=69, 4394=57...(11) HG2 LYS 42 + H LEU 43 OK 80 100 85 94 4.6-6.0 3.9/189=54, 2.9/3500=54...(6) ! HG3 LYS 42 - H LEU 43 far 15 100 15 - 4.9-5.8 HG2 ARG 34 - H LEU 43 far 0 95 0 - 8.0-8.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 4.4-4.5 4.5=100 Violated in 0 structures by 0.00 A. Peak 199 from nnoeabs.peaks (4.87, 8.84, 109.64 ppm; 3.46 A): 1 out of 1 assignment used, quality = 0.99: * HA LEU 43 + H THR 44 OK 99 100 100 99 2.6-2.7 3.6=91, 3.0/201=53...(6) Violated in 0 structures by 0.00 A. Peak 200 from nnoeabs.peaks (1.23, 8.84, 109.64 ppm; 4.18 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LEU 43 + H THR 44 OK 100 100 100 100 3.0-3.3 3508=99, 1.8/201=92...(12) QG2 THR 46 - H THR 44 far 0 71 0 - 6.0-6.3 HG LEU 19 - H THR 44 far 0 92 0 - 8.5-10.1 Violated in 0 structures by 0.00 A. Peak 201 from nnoeabs.peaks (1.60, 8.84, 109.64 ppm; 3.46 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 43 + H THR 44 OK 100 100 100 100 1.9-2.1 3509=67, 3.0/199=53...(14) HB2 LEU 41 - H THR 44 far 0 93 0 - 6.0-7.0 HG3 ARG 34 - H THR 44 far 0 89 0 - 7.8-10.3 Violated in 0 structures by 0.00 A. Peak 202 from nnoeabs.peaks (1.47, 8.84, 109.64 ppm; 4.60 A): 1 out of 2 assignments used, quality = 1.00: * HG LEU 43 + H THR 44 OK 100 100 100 100 4.5-4.7 2.1/3511=87, 3.0/201=84...(9) QB ALA 35 - H THR 44 far 0 92 0 - 8.2-9.6 Violated in 8 structures by 0.01 A. Peak 203 from nnoeabs.peaks (0.85, 8.84, 109.64 ppm; 3.98 A): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 43 + H THR 44 OK 100 100 100 100 3.0-3.7 3511=100, 2230/199=69...(13) QD1 LEU 68 - H THR 44 far 0 99 0 - 9.0-31.1 Violated in 0 structures by 0.00 A. Peak 204 from nnoeabs.peaks (0.66, 8.84, 109.64 ppm; 4.56 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 43 + H THR 44 OK 100 100 100 100 4.0-4.4 4.7=90, 2.1/3511=87...(11) Violated in 0 structures by 0.00 A. Peak 206 from nnoeabs.peaks (4.65, 9.24, 121.30 ppm; 3.23 A): 1 out of 1 assignment used, quality = 1.00: * HA THR 44 + H GLU 45 OK 100 100 100 100 2.2-2.4 3513=97, 3.0/207=48...(6) Violated in 0 structures by 0.00 A. Peak 207 from nnoeabs.peaks (4.78, 9.24, 121.30 ppm; 3.34 A): 1 out of 1 assignment used, quality = 0.94: * HB THR 44 + H GLU 45 OK 94 100 100 94 2.5-3.0 3.0/206=53, 2.1/208=45...(6) Violated in 0 structures by 0.00 A. Peak 208 from nnoeabs.peaks (1.28, 9.24, 121.30 ppm; 4.17 A): 1 out of 2 assignments used, quality = 1.00: * QG2 THR 44 + H GLU 45 OK 100 100 100 100 3.3-4.1 4.2=100 HG12 ILE 50 - H GLU 45 far 0 99 0 - 8.9-10.7 Violated in 0 structures by 0.00 A. Peak 209 from nnoeabs.peaks (9.24, 8.14, 115.25 ppm; 3.77 A): 1 out of 1 assignment used, quality = 0.99: * H GLU 45 + H THR 46 OK 99 100 100 99 2.7-2.7 895=74, 207/4799=61...(9) Violated in 0 structures by 0.00 A. Peak 210 from nnoeabs.peaks (3.64, 8.14, 115.25 ppm; 4.23 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 45 + H THR 46 OK 100 100 100 100 3.4-3.5 3.6=100 HA VAL 48 - H THR 46 far 0 95 0 - 6.8-7.2 HA ALA 38 - H THR 46 far 0 60 0 - 7.0-8.0 Violated in 0 structures by 0.00 A. Peak 211 from nnoeabs.peaks (2.04, 8.14, 115.25 ppm; 3.47 A): 2 out of 3 assignments used, quality = 0.96: HB3 GLU 45 + H THR 46 OK 79 100 100 79 3.6-4.0 4.6=42, 4.0/209=37...(6) * HB2 GLU 45 + H THR 46 OK 79 100 100 79 2.9-4.3 4.6=42, 4.0/209=37...(6) HG3 GLU 45 - H THR 46 far 3 65 5 - 3.7-5.5 Violated in 1 structures by 0.01 A. Peak 212 from nnoeabs.peaks (2.05, 8.14, 115.25 ppm; 3.47 A): 2 out of 3 assignments used, quality = 0.96: * HB3 GLU 45 + H THR 46 OK 79 100 100 79 3.6-4.0 4.6=42, 4.0/209=37...(6) HB2 GLU 45 + H THR 46 OK 79 100 100 79 2.9-4.3 4.6=42, 4.0/209=37...(6) HG3 GLU 45 - H THR 46 far 4 71 5 - 3.7-5.5 Violated in 1 structures by 0.01 A. Peak 213 from nnoeabs.peaks (2.40, 8.14, 115.25 ppm; 4.71 A): 2 out of 3 assignments used, quality = 1.00: * HG2 GLU 45 + H THR 46 OK 100 100 100 100 2.4-5.0 696/209=73, 2298/3.6=72...(9) HG3 GLN 47 + H THR 46 OK 91 100 100 91 4.7-5.7 707/896=75, 4556/701=52 HG2 MET 11 - H THR 46 far 0 96 0 - 10.0-12.1 Violated in 0 structures by 0.00 A. Peak 214 from nnoeabs.peaks (2.07, 8.14, 115.25 ppm; 3.50 A): 2 out of 3 assignments used, quality = 0.78: HB3 GLU 45 + H THR 46 OK 55 71 100 78 3.6-4.0 4.6=43, 4.0/209=37...(6) HB2 GLU 45 + H THR 46 OK 51 65 100 78 2.9-4.3 4.6=43, 4.0/209=37...(6) ! HG3 GLU 45 - H THR 46 far 5 100 5 - 3.7-5.5 Violated in 1 structures by 0.00 A. Peak 215 from nnoeabs.peaks (8.14, 8.05, 120.26 ppm; 3.53 A): 1 out of 2 assignments used, quality = 1.00: * H THR 46 + H GLN 47 OK 100 100 100 100 2.3-2.6 896=100, 700/217=52...(7) H ALA 35 - H GLN 47 far 0 98 0 - 9.2-10.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.5-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 217 from nnoeabs.peaks (4.06, 8.05, 120.26 ppm; 3.48 A): 1 out of 2 assignments used, quality = 0.97: * HB THR 46 + H GLN 47 OK 97 100 100 97 2.8-3.0 3522=80, 2.1/218=61...(5) HA LYS 39 - H GLN 47 far 0 78 0 - 9.5-10.1 Violated in 0 structures by 0.00 A. Peak 218 from nnoeabs.peaks (1.25, 8.05, 120.26 ppm; 3.69 A): 1 out of 3 assignments used, quality = 1.00: * QG2 THR 46 + H GLN 47 OK 100 100 100 100 3.4-3.8 2.1/217=73, 4.3=64...(10) HB2 LEU 43 - H GLN 47 far 0 71 0 - 5.2-5.7 HG LEU 19 - H GLN 47 far 0 97 0 - 9.4-10.4 Violated in 6 structures by 0.01 A. Peak 219 from nnoeabs.peaks (8.05, 7.68, 118.72 ppm; 3.67 A): 1 out of 4 assignments used, quality = 1.00: * H GLN 47 + H VAL 48 OK 100 100 100 100 2.5-2.7 897=100, 704/221=50...(14) H GLN 53 - H VAL 48 far 0 87 0 - 7.7-8.3 H LEU 41 - H VAL 48 far 0 100 0 - 8.0-8.8 H LEU 37 - H VAL 48 far 0 92 0 - 8.2-9.5 Violated in 0 structures by 0.00 A. Peak 220 from nnoeabs.peaks (3.96, 7.68, 118.72 ppm; 4.46 A): 1 out of 3 assignments used, quality = 1.00: * HA GLN 47 + H VAL 48 OK 100 100 100 100 3.6-3.6 3.6=100 HA ALA 35 - H VAL 48 far 0 76 0 - 7.1-8.3 HA LYS 42 - H VAL 48 far 0 78 0 - 9.0-10.0 Violated in 0 structures by 0.00 A. Peak 221 from nnoeabs.peaks (2.58, 7.68, 118.72 ppm; 3.96 A): 1 out of 1 assignment used, quality = 0.99: * HB2 GLN 47 + H VAL 48 OK 99 100 100 99 2.2-2.5 704/897=69, 1.8/222=68...(7) Violated in 0 structures by 0.00 A. Peak 222 from nnoeabs.peaks (1.83, 7.68, 118.72 ppm; 4.24 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLN 47 + H VAL 48 OK 100 100 100 100 3.3-3.6 1.8/221=83, 4.7=76...(8) HB3 MET 11 - H VAL 48 far 0 98 0 - 8.5-10.7 Violated in 0 structures by 0.00 A. Peak 223 from nnoeabs.peaks (2.55, 7.68, 118.72 ppm; 4.02 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 47 + H VAL 48 OK 100 100 100 100 4.0-4.3 706/897=71, 2325/3.6=62...(8) Violated in 20 structures by 0.09 A. Peak 224 from nnoeabs.peaks (2.40, 7.68, 118.72 ppm; 5.22 A): 2 out of 4 assignments used, quality = 1.00: * HG3 GLN 47 + H VAL 48 OK 100 100 100 100 4.3-4.9 1.8/223=99, 2326/3.6=88...(9) HG2 GLU 45 + H VAL 48 OK 90 100 100 90 5.7-6.7 2298/3772=73...(4) HG2 MET 11 - H VAL 48 far 9 89 10 - 6.6-9.8 HB3 LYS 22 - H VAL 48 far 0 76 0 - 9.0-10.2 Violated in 0 structures by 0.00 A. Peak 227 from nnoeabs.peaks (7.68, 8.54, 121.11 ppm; 3.51 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 48 + H LYS 49 OK 100 100 100 100 2.8-2.9 898=100, 712/229=55...(8) HE22 GLN 47 - H LYS 49 far 0 90 0 - 6.9-8.9 H LYS 39 - H LYS 49 far 0 98 0 - 9.6-10.4 Violated in 0 structures by 0.00 A. Peak 228 from nnoeabs.peaks (3.63, 8.54, 121.11 ppm; 4.07 A): 2 out of 4 assignments used, quality = 1.00: * HA VAL 48 + H LYS 49 OK 100 100 100 100 3.5-3.5 3.6=100 HA GLU 45 + H LYS 49 OK 91 95 100 96 4.0-4.9 3773/229=58, 3772/898=47...(7) HA ALA 38 - H LYS 49 far 0 90 0 - 7.1-8.0 HA LEU 19 - H LYS 49 far 0 97 0 - 8.9-9.9 Violated in 0 structures by 0.00 A. Peak 229 from nnoeabs.peaks (2.16, 8.54, 121.11 ppm; 3.21 A): 1 out of 2 assignments used, quality = 0.99: * HB VAL 48 + H LYS 49 OK 99 100 100 99 2.6-3.0 3530=65, 2.1/230=46...(13) HB2 GLN 53 - H LYS 49 far 0 93 0 - 6.3-7.7 Violated in 0 structures by 0.00 A. Peak 230 from nnoeabs.peaks (1.00, 8.54, 121.11 ppm; 3.95 A): 1 out of 2 assignments used, quality = 1.00: * QG1 VAL 48 + H LYS 49 OK 100 100 100 100 3.4-3.6 4.1=88, 2.1/229=86...(10) QG2 VAL 16 - H LYS 49 far 0 90 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 231 from nnoeabs.peaks (0.95, 8.54, 121.11 ppm; 4.06 A): 1 out of 2 assignments used, quality = 1.00: * QG2 VAL 48 + H LYS 49 OK 100 100 100 100 3.9-4.1 4.1=95, 2.1/229=89...(12) QD1 LEU 37 - H LYS 49 far 0 97 0 - 5.8-9.4 Violated in 2 structures by 0.00 A. Peak 232 from nnoeabs.peaks (8.54, 8.69, 119.98 ppm; 3.74 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 49 + H ILE 50 OK 100 100 100 100 2.6-2.9 899=100, 717/3534=51...(11) Violated in 0 structures by 0.00 A. Peak 233 from nnoeabs.peaks (4.33, 8.69, 119.98 ppm; 4.58 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 49 + H ILE 50 OK 100 100 100 100 3.5-3.6 3.6=100 HA ASN 54 - H ILE 50 far 0 65 0 - 8.4-8.9 Violated in 0 structures by 0.00 A. Peak 234 from nnoeabs.peaks (2.13, 8.69, 119.98 ppm; 3.58 A): 2 out of 2 assignments used, quality = 1.00: * HB2 LYS 49 + H ILE 50 OK 100 100 100 100 2.1-2.7 3534=78, 1.8/235=62...(14) HB2 GLN 53 + H ILE 50 OK 67 76 95 93 4.4-5.4 3805/3.0=33, ~3806=33...(14) Violated in 0 structures by 0.00 A. Peak 235 from nnoeabs.peaks (1.88, 8.69, 119.98 ppm; 3.96 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LYS 49 + H ILE 50 OK 100 100 100 100 3.1-3.9 3535=82, 1.8/3534=77...(9) HB3 ARG 34 - H ILE 50 far 0 78 0 - 9.0-10.7 Violated in 0 structures by 0.00 A. Peak 236 from nnoeabs.peaks (1.57, 8.69, 119.98 ppm; 4.99 A): 1 out of 3 assignments used, quality = 1.00: * HG2 LYS 49 + H ILE 50 OK 100 100 100 100 2.6-5.0 5.0=100 HG3 ARG 34 - H ILE 50 far 0 92 0 - 7.2-8.5 HG LEU 37 - H ILE 50 far 0 97 0 - 9.1-11.1 Violated in 1 structures by 0.00 A. Peak 237 from nnoeabs.peaks (1.40, 8.69, 119.98 ppm; 4.83 A): 1 out of 2 assignments used, quality = 1.00: * HG3 LYS 49 + H ILE 50 OK 100 100 100 100 3.4-4.6 5.0=91, 3.0/3534=82...(11) HB2 LYS 27 - H ILE 50 far 0 83 0 - 9.7-13.7 Violated in 0 structures by 0.00 A. Peak 238 from nnoeabs.peaks (1.70, 8.69, 119.98 ppm; 3.44 A): 3 out of 5 assignments used, quality = 0.99: HG13 ILE 50 + H ILE 50 OK 96 97 100 100 1.9-3.8 1.8/729=63, 3.0/727=58...(18) * HD2 LYS 49 + H ILE 50 OK 42 100 45 93 2.7-6.3 3.7/3534=39, 3.7/235=38...(16) HD3 LYS 49 + H ILE 50 OK 37 100 40 92 2.9-5.6 3.7/3534=39, 3.7/235=38...(12) HB2 ARG 56 - H ILE 50 far 0 87 0 - 9.3-11.7 HB3 LEU 37 - H ILE 50 far 0 60 0 - 9.8-11.3 Violated in 4 structures by 0.01 A. Peak 239 from nnoeabs.peaks (1.70, 8.69, 119.98 ppm; 3.44 A): 3 out of 4 assignments used, quality = 0.99: HG13 ILE 50 + H ILE 50 OK 97 97 100 100 1.9-3.8 1.8/729=63, 3.0/727=58...(18) HD2 LYS 49 + H ILE 50 OK 42 100 45 93 2.7-6.3 3.7/3534=39, 3.7/235=38...(16) * HD3 LYS 49 + H ILE 50 OK 37 100 40 92 2.9-5.6 3.7/3534=39, 3.7/235=38...(12) HB2 ARG 56 - H ILE 50 far 0 85 0 - 9.3-11.7 Violated in 4 structures by 0.01 A. Peak 242 from nnoeabs.peaks (8.69, 8.27, 121.67 ppm; 3.50 A): 1 out of 1 assignment used, quality = 0.99: * H ILE 50 + H TRP 51 OK 99 100 100 99 2.7-3.0 900=86, 727/244=54...(12) Violated in 0 structures by 0.00 A. Peak 243 from nnoeabs.peaks (3.77, 8.27, 121.67 ppm; 4.11 A): 2 out of 3 assignments used, quality = 1.00: * HA ILE 50 + H TRP 51 OK 100 100 100 100 3.5-3.6 3.6=100 HA PHE 52 + H TRP 51 OK 80 89 100 91 5.3-5.5 2.9/901=68, 3.6/1041=38...(5) HA ARG 34 - H TRP 51 far 0 90 0 - 9.6-10.7 Violated in 0 structures by 0.00 A. Peak 244 from nnoeabs.peaks (1.94, 8.27, 121.67 ppm; 3.35 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 50 + H TRP 51 OK 100 100 100 100 2.3-2.6 3543=70, 2.1/245=57...(13) Violated in 0 structures by 0.00 A. Peak 245 from nnoeabs.peaks (0.91, 8.27, 121.67 ppm; 3.69 A): 1 out of 2 assignments used, quality = 1.00: * QG2 ILE 50 + H TRP 51 OK 100 100 100 100 2.8-3.6 2.1/244=76, 4.3=62...(14) QD2 LEU 37 - H TRP 51 far 0 100 0 - 6.8-10.4 Violated in 0 structures by 0.00 A. Peak 246 from nnoeabs.peaks (1.29, 8.27, 121.67 ppm; 4.86 A): 1 out of 3 assignments used, quality = 1.00: * HG12 ILE 50 + H TRP 51 OK 100 100 100 100 3.9-4.9 3.0/244=90, 3.2/245=83...(12) QG2 THR 44 - H TRP 51 far 0 99 0 - 8.5-9.6 QG2 THR 59 - H TRP 51 far 0 100 0 - 9.9-14.3 Violated in 4 structures by 0.01 A. Peak 247 from nnoeabs.peaks (1.69, 8.27, 121.67 ppm; 4.67 A): 2 out of 6 assignments used, quality = 1.00: * HG13 ILE 50 + H TRP 51 OK 100 100 100 100 4.0-5.0 3.0/244=86, 3.2/245=78...(12) HD2 LYS 49 + H TRP 51 OK 29 97 40 76 5.0-8.5 6.2/1031=33, 3.7/4624=20...(8) HD3 LYS 49 - H TRP 51 far 5 97 5 - 5.0-7.9 HB2 ARG 56 - H TRP 51 far 0 60 0 - 8.4-11.0 HB2 LEU 37 - H TRP 51 far 0 63 0 - 8.9-12.3 HD3 LYS 62 - H TRP 51 far 0 76 0 - 9.9-24.5 Violated in 5 structures by 0.01 A. Peak 248 from nnoeabs.peaks (0.80, 8.27, 121.67 ppm; 4.64 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 50 + H TRP 51 OK 100 100 100 100 4.1-4.7 3.2/244=83, 2491/245=81...(15) Violated in 9 structures by 0.01 A. Peak 249 from nnoeabs.peaks (8.27, 8.94, 119.28 ppm; 3.69 A): 2 out of 2 assignments used, quality = 1.00: * H TRP 51 + H PHE 52 OK 100 100 100 100 2.7-3.0 901=99, 735/4.3=45...(9) H ASN 54 + H PHE 52 OK 39 60 100 65 4.7-4.9 4.6/259=36, 1047/3.6=18...(5) Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.6-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 251 from nnoeabs.peaks (3.50, 8.94, 119.28 ppm; 3.50 A): 2 out of 2 assignments used, quality = 0.98: * HB2 TRP 51 + H PHE 52 OK 96 100 100 96 2.2-2.5 4.3=55, 734/901=47...(10) HB3 PHE 52 + H PHE 52 OK 60 63 100 96 2.3-3.6 4.1=64, 2.5/747=55...(8) Violated in 0 structures by 0.00 A. Peak 252 from nnoeabs.peaks (3.29, 8.94, 119.28 ppm; 3.59 A): 2 out of 3 assignments used, quality = 1.00: * HB3 TRP 51 + H PHE 52 OK 97 100 100 97 3.5-3.7 4.3=60, 735/901=51...(8) HB2 PHE 52 + H PHE 52 OK 87 89 100 99 2.3-3.6 4.1=69, 1.8/2605=65...(8) HD3 ARG 34 - H PHE 52 far 0 78 0 - 6.5-8.8 Violated in 0 structures by 0.00 A. Peak 254 from nnoeabs.peaks (6.97, 8.94, 119.28 ppm; 4.33 A): 1 out of 2 assignments used, quality = 0.99: * HE3 TRP 51 + H PHE 52 OK 99 100 100 99 2.8-3.3 4675/2.9=65, 4673/747=56...(8) HZ PHE 23 - H PHE 52 far 0 73 0 - 6.5-8.8 Violated in 0 structures by 0.00 A. Peak 259 from nnoeabs.peaks (8.94, 8.03, 118.15 ppm; 3.64 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 52 + H GLN 53 OK 100 100 100 100 2.5-2.8 902=91, 747/4.4=36...(11) Violated in 0 structures by 0.00 A. Peak 260 from nnoeabs.peaks (3.76, 8.03, 118.15 ppm; 3.59 A): 2 out of 2 assignments used, quality = 1.00: * HA PHE 52 + H GLN 53 OK 100 100 100 100 3.4-3.5 3.6=100 HA ILE 50 + H GLN 53 OK 87 89 100 98 3.3-3.7 3803=56, 3805/750=43...(13) Violated in 0 structures by 0.00 A. Peak 261 from nnoeabs.peaks (3.27, 8.03, 118.15 ppm; 4.17 A): 2 out of 3 assignments used, quality = 1.00: * HB2 PHE 52 + H GLN 53 OK 98 100 100 98 3.0-3.8 4.5=79, 1.8/3558=68...(7) HB3 TRP 51 + H GLN 53 OK 80 89 100 90 5.3-5.5 4.3/259=52, 3.0/1040=39...(6) HD3 ARG 34 - H GLN 53 far 0 100 0 - 7.8-10.0 Violated in 0 structures by 0.00 A. Peak 262 from nnoeabs.peaks (3.53, 8.03, 118.15 ppm; 3.91 A): 2 out of 3 assignments used, quality = 0.97: * HB3 PHE 52 + H GLN 53 OK 93 100 100 93 2.9-3.8 3558=65, 2605/259=51...(7) HB2 TRP 51 + H GLN 53 OK 56 63 100 90 4.5-4.7 4.3/259=46, 3.0/1040=33...(9) HD2 ARG 34 - H GLN 53 far 0 93 0 - 7.8-10.4 Violated in 0 structures by 0.00 A. Peak 265 from nnoeabs.peaks (8.03, 8.29, 117.45 ppm; 3.32 A): 1 out of 2 assignments used, quality = 0.99: * H GLN 53 + H ASN 54 OK 99 100 100 99 2.7-2.9 903=68, 750/267=49...(13) H ILE 17 - H SER 66 far 0 31 0 - 8.5-28.6 Violated in 0 structures by 0.00 A. Peak 266 from nnoeabs.peaks (3.94, 8.29, 117.45 ppm; 4.24 A): 3 out of 6 assignments used, quality = 1.00: * HA GLN 53 + H ASN 54 OK 100 100 100 100 3.6-3.6 3.6=100 HB2 SER 66 + H SER 66 OK 50 50 100 100 2.4-4.1 4.0=100 HB2 SER 65 + H SER 66 OK 41 49 100 84 2.6-4.5 4.5=82, 364/4.7=4...(5) HA GLN 47 - H ASN 54 far 0 81 0 - 8.1-8.9 HB2 SER 66 - H ASN 54 far 0 100 0 - 9.4-24.5 HA GLN 53 - H SER 66 far 0 51 0 - 9.9-21.4 Violated in 0 structures by 0.00 A. Peak 267 from nnoeabs.peaks (2.15, 8.29, 117.45 ppm; 3.35 A): 1 out of 4 assignments used, quality = 0.98: * HB2 GLN 53 + H ASN 54 OK 98 100 100 98 2.0-2.5 1.8/268=64, 750/265=50...(10) HB2 LYS 49 - H ASN 54 far 0 76 0 - 7.1-8.0 HB2 GLU 20 - H SER 66 far 0 43 0 - 8.9-25.3 HB VAL 48 - H ASN 54 far 0 93 0 - 9.8-10.4 Violated in 0 structures by 0.00 A. Peak 268 from nnoeabs.peaks (2.22, 8.29, 117.45 ppm; 3.62 A): 1 out of 4 assignments used, quality = 1.00: * HB3 GLN 53 + H ASN 54 OK 100 100 100 100 3.4-3.8 1.8/267=80, 3563=72...(9) HG3 GLU 67 - H SER 66 far 3 27 10 - 3.7-8.3 HG2 ARG 56 - H ASN 54 far 0 83 0 - 5.7-8.4 HB3 GLN 53 - H SER 66 far 0 51 0 - 9.9-23.1 Violated in 19 structures by 0.15 A. Peak 269 from nnoeabs.peaks (2.44, 8.29, 117.45 ppm; 3.66 A): 1 out of 3 assignments used, quality = 0.99: * HG2 GLN 53 + H ASN 54 OK 99 100 100 99 2.4-3.8 3.0/267=61, 3.0/268=56...(10) HG3 GLU 20 - H SER 66 far 0 42 0 - 7.4-25.2 HG2 GLU 20 - H SER 66 far 0 29 0 - 8.2-23.9 Violated in 1 structures by 0.01 A. Peak 270 from nnoeabs.peaks (2.37, 8.29, 117.45 ppm; 4.33 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLN 53 + H ASN 54 OK 100 100 100 100 3.2-4.3 1.8/269=92, 3.0/267=79...(10) HG3 GLN 63 - H SER 66 poor 10 48 20 - 2.7-11.1 HG2 GLN 63 - H SER 66 far 7 47 15 - 2.9-12.0 HG3 GLN 53 - H SER 66 far 0 51 0 - 8.8-23.0 Violated in 0 structures by 0.00 A. Peak 273 from nnoeabs.peaks (8.29, 8.07, 122.80 ppm; 3.53 A): 1 out of 3 assignments used, quality = 1.00: * H ASN 54 + H ARG 55 OK 100 100 100 100 2.7-3.0 904=100, 759/276=47...(7) H TRP 51 - H ARG 55 far 0 60 0 - 5.7-6.2 H LYS 62 - H ARG 55 far 0 99 0 - 8.0-15.9 Violated in 0 structures by 0.00 A. Peak 274 from nnoeabs.peaks (4.36, 8.07, 122.80 ppm; 4.39 A): 1 out of 4 assignments used, quality = 1.00: * HA ASN 54 + H ARG 55 OK 100 100 100 100 3.4-3.6 3.6=100 HA LYS 49 - H ARG 55 far 0 65 0 - 7.7-8.5 HA LEU 64 - H ARG 55 far 0 85 0 - 7.9-22.6 HA LEU 68 - H ARG 55 far 0 99 0 - 8.2-26.9 Violated in 0 structures by 0.00 A. Peak 275 from nnoeabs.peaks (2.48, 8.07, 122.80 ppm; 4.19 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASN 54 + H ARG 55 OK 100 100 100 100 2.8-4.2 3567=88, 1.8/276=84...(4) HG2 GLU 20 - H ARG 55 far 0 96 0 - 8.4-11.5 Violated in 1 structures by 0.00 A. Peak 276 from nnoeabs.peaks (2.65, 8.07, 122.80 ppm; 3.87 A): 1 out of 1 assignment used, quality = 0.98: * HB3 ASN 54 + H ARG 55 OK 98 100 100 98 2.5-4.0 3568=77, 1.8/275=66...(4) Violated in 2 structures by 0.01 A. Peak 279 from nnoeabs.peaks (8.07, 7.75, 117.78 ppm; 3.59 A): 1 out of 1 assignment used, quality = 0.99: * H ARG 55 + H ARG 56 OK 99 100 100 99 2.4-3.1 905=95, 764/281=37...(7) Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 281 from nnoeabs.peaks (0.65, 7.75, 117.78 ppm; 4.32 A): 1 out of 2 assignments used, quality = 0.97: * HB2 ARG 55 + H ARG 56 OK 97 100 100 97 2.1-3.9 4.7=80, 764/279=64...(6) HG2 LYS 27 - H ARG 56 far 0 87 0 - 7.1-10.7 Violated in 0 structures by 0.00 A. Peak 282 from nnoeabs.peaks (-0.28, 7.75, 117.78 ppm; 4.69 A): 2 out of 3 assignments used, quality = 1.00: * HB3 ARG 55 + H ARG 56 OK 100 100 100 100 2.3-3.8 4.7=100 HG2 ARG 55 + H ARG 56 OK 94 100 100 94 4.3-5.3 3.0/281=71, 5.1/279=53...(7) QD1 LEU 19 - H ARG 56 far 0 100 0 - 8.1-9.3 Violated in 0 structures by 0.00 A. Peak 287 from nnoeabs.peaks (7.75, 7.56, 119.05 ppm; 3.51 A): 2 out of 4 assignments used, quality = 0.98: * H ARG 56 + H TYR 57 OK 96 100 100 96 2.4-2.8 906=83, 773/290=44...(8) H THR 59 + H TYR 57 OK 52 78 100 66 3.8-4.9 4.6/907=32, 2737/3.6=17...(6) QD PHE 52 - H TYR 57 far 0 100 0 - 7.7-8.7 QD PHE 52 - H GLU 18 far 0 76 0 - 9.3-10.3 Violated in 0 structures by 0.00 A. Peak 288 from nnoeabs.peaks (4.08, 7.56, 119.05 ppm; 4.05 A): 2 out of 4 assignments used, quality = 1.00: * HA ARG 56 + H TYR 57 OK 100 100 100 100 3.4-3.6 3.6=100 HA LYS 58 + H TYR 57 OK 55 63 100 88 5.3-5.5 3.0/907=67, 3.0/289=27...(6) HA ARG 21 - H GLU 18 far 0 72 0 - 7.3-7.7 HA LEU 37 - H GLU 18 far 0 56 0 - 8.1-9.7 Violated in 0 structures by 0.00 A. Peak 289 from nnoeabs.peaks (1.72, 7.56, 119.05 ppm; 4.23 A): 2 out of 8 assignments used, quality = 1.00: * HB2 ARG 56 + H TYR 57 OK 99 100 100 99 2.7-4.1 1.8/290=91, 4.6=77...(5) HB3 LYS 58 + H TYR 57 OK 92 97 100 94 4.7-5.1 787/907=63, 4717/783=48...(8) HB3 ARG 61 - H TYR 57 far 0 99 0 - 6.7-14.2 HG2 LYS 22 - H GLU 18 far 0 74 0 - 6.8-10.6 HB3 LEU 37 - H GLU 18 far 0 70 0 - 8.0-10.8 HD2 LYS 49 - H TYR 57 far 0 87 0 - 8.7-12.6 HD3 LYS 49 - H TYR 57 far 0 85 0 - 9.1-13.2 HD2 LYS 42 - H GLU 18 far 0 76 0 - 9.3-13.6 Violated in 0 structures by 0.00 A. Peak 290 from nnoeabs.peaks (2.04, 7.56, 119.05 ppm; 3.58 A): 1 out of 3 assignments used, quality = 0.85: * HB3 ARG 56 + H TYR 57 OK 85 100 100 85 2.7-4.1 4.6=46, 773/906=44...(6) HB3 GLU 20 - H GLU 18 far 0 75 0 - 5.5-7.4 HB2 LYS 22 - H GLU 18 far 0 56 0 - 6.6-9.2 Violated in 1 structures by 0.02 A. Peak 295 from nnoeabs.peaks (7.56, 7.68, 119.80 ppm; 3.75 A): 1 out of 1 assignment used, quality = 1.00: * H TYR 57 + H LYS 58 OK 100 100 100 100 2.6-2.9 907=100, 3.6/3843=48...(11) Violated in 0 structures by 0.00 A. Peak 296 from nnoeabs.peaks (4.44, 7.68, 119.80 ppm; 3.67 A): 1 out of 3 assignments used, quality = 1.00: * HA TYR 57 + H LYS 58 OK 100 100 100 100 3.5-3.6 3.6=100 HA SER 66 - H LYS 58 far 0 95 0 - 8.8-20.1 HA SER 65 - H LYS 58 far 0 100 0 - 9.6-18.8 Violated in 0 structures by 0.00 A. Peak 297 from nnoeabs.peaks (3.09, 7.68, 119.80 ppm; 4.32 A): 1 out of 2 assignments used, quality = 1.00: * HB2 TYR 57 + H LYS 58 OK 100 100 100 100 2.5-3.0 1.8/298=83, 4.7=80...(6) HB3 PHE 23 - H LYS 58 far 0 92 0 - 9.7-11.3 Violated in 0 structures by 0.00 A. Peak 298 from nnoeabs.peaks (3.17, 7.68, 119.80 ppm; 4.08 A): 1 out of 3 assignments used, quality = 0.99: * HB3 TYR 57 + H LYS 58 OK 99 100 100 99 3.8-4.2 1.8/297=70, 4.7=67...(6) HD2 ARG 61 - H LYS 58 far 0 71 0 - 6.0-14.2 HD3 ARG 61 - H LYS 58 far 0 71 0 - 7.4-14.2 Violated in 15 structures by 0.06 A. Peak 300 from nnoeabs.peaks (7.14, 7.68, 119.80 ppm; 4.95 A): 1 out of 3 assignments used, quality = 1.00: * QD TYR 57 + H LYS 58 OK 100 100 100 100 2.8-3.1 4.6=100 HD1 TRP 51 - H LYS 58 far 0 100 0 - 10.0-12.2 QD TYR 28 - H LYS 58 far 0 93 0 - 10.0-13.0 Violated in 0 structures by 0.00 A. Peak 301 from nnoeabs.peaks (7.68, 7.72, 113.00 ppm; 3.74 A): 1 out of 1 assignment used, quality = 0.98: * H LYS 58 + H THR 59 OK 98 100 100 98 2.3-2.7 908=71, 3.0/302=43...(10) Violated in 0 structures by 0.00 A. Peak 302 from nnoeabs.peaks (4.11, 7.72, 113.00 ppm; 3.50 A): 2 out of 3 assignments used, quality = 1.00: * HA LYS 58 + H THR 59 OK 100 100 100 100 3.3-3.6 3.6=94, 3.0/301=50...(10) HA ARG 56 + H THR 59 OK 42 63 100 67 2.8-3.9 3843/301=20, 4841/797=19...(10) HA SER 24 - H THR 59 far 0 57 0 - 9.3-12.1 Violated in 0 structures by 0.00 A. Peak 303 from nnoeabs.peaks (1.80, 7.72, 113.00 ppm; 4.07 A): 1 out of 5 assignments used, quality = 0.99: * HB2 LYS 58 + H THR 59 OK 99 100 100 99 2.6-4.3 4.6=68, 786/301=58...(9) HB3 LYS 60 - H THR 59 poor 19 73 40 66 3.9-7.5 3.8/909=43, 4681/3.0=24...(9) HB3 LYS 62 - H THR 59 poor 13 65 20 - 4.2-12.9 HB2 LYS 62 - H THR 59 far 7 68 10 - 4.2-13.7 HB2 ARG 61 - H THR 59 far 5 98 5 - 5.1-10.2 Violated in 9 structures by 0.04 A. Peak 304 from nnoeabs.peaks (1.73, 7.72, 113.00 ppm; 4.19 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LYS 58 + H THR 59 OK 100 100 100 100 2.1-4.2 4.6=74, 1.8/303=66...(11) HB2 ARG 56 + H THR 59 OK 54 97 75 73 4.4-6.3 4682/797=29, 3.0/302=22...(8) HB3 ARG 61 - H THR 59 far 5 100 5 - 5.6-10.3 Violated in 0 structures by 0.00 A. Peak 305 from nnoeabs.peaks (1.36, 7.72, 113.00 ppm; 5.38 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 58 + H THR 59 OK 100 100 100 100 2.8-5.5 3591=100, 2827/3.6=87...(7) HD3 LYS 27 - H THR 59 far 10 68 15 - 5.5-10.4 Violated in 1 structures by 0.00 A. Peak 311 from nnoeabs.peaks (7.72, 7.98, 123.03 ppm; 4.89 A): 1 out of 3 assignments used, quality = 1.00: * H THR 59 + H LYS 60 OK 100 100 100 100 2.2-4.6 4.6=100 H ARG 56 - H LYS 60 poor 20 78 25 - 5.4-8.8 QD PHE 52 - H LYS 60 far 0 78 0 - 9.5-12.8 Violated in 0 structures by 0.00 A. Peak 312 from nnoeabs.peaks (4.26, 7.98, 123.03 ppm; 3.49 A): 3 out of 5 assignments used, quality = 1.00: HA LYS 60 + H LYS 60 OK 100 100 100 100 2.8-2.9 3.0=100 * HA THR 59 + H LYS 60 OK 99 100 100 99 2.3-3.2 3.6=95, 2916/4.1=42...(11) HB THR 59 + H LYS 60 OK 56 81 100 69 2.1-4.6 4.7=42, 4.0/909=29...(4) HA ARG 61 - H LYS 60 poor 8 87 30 31 4.7-5.9 ~316=10, ~809=8...(8) HA LYS 62 - H LYS 60 far 0 100 0 - 6.1-8.8 Violated in 0 structures by 0.00 A. Peak 313 from nnoeabs.peaks (4.28, 7.98, 123.03 ppm; 3.43 A): 3 out of 4 assignments used, quality = 0.99: HA LYS 60 + H LYS 60 OK 87 87 100 100 2.8-2.9 3.0=100 HA THR 59 + H LYS 60 OK 78 81 100 97 2.3-3.2 3.6=90, 3.0/909=35...(11) * HB THR 59 + H LYS 60 OK 67 100 100 67 2.1-4.6 4.7=40, 4.0/909=28...(4) HA LYS 62 - H LYS 60 far 0 76 0 - 6.1-8.8 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.5-4.4 4.1=100 Violated in 0 structures by 0.00 A. Peak 316 from nnoeabs.peaks (4.26, 8.17, 121.81 ppm; 3.24 A): 2 out of 5 assignments used, quality = 0.98: * HA LYS 60 + H ARG 61 OK 90 100 100 90 2.2-3.6 3.6=75, 3.0/318=35...(13) HA ARG 61 + H ARG 61 OK 81 81 100 100 2.8-2.9 3.0=100 HA THR 59 - H ARG 61 poor 9 100 25 35 3.7-6.7 4681/4.4=23, 312/4.6=10...(5) HA LYS 62 - H ARG 61 far 5 100 5 - 4.6-5.8 HB THR 59 - H ARG 61 lone 2 87 25 7 2.9-8.3 799/4.6=6 Violated in 0 structures by 0.00 A. Peak 317 from nnoeabs.peaks (1.83, 8.17, 121.81 ppm; 3.74 A): 2 out of 3 assignments used, quality = 0.95: * HB2 LYS 60 + H ARG 61 OK 82 100 100 82 2.1-4.4 4.4=62, 3.0/316=33...(11) HB2 ARG 61 + H ARG 61 OK 73 73 100 99 2.2-3.8 4.0=80, 1.8/811=76...(15) HB2 LYS 62 - H ARG 61 poor 20 99 20 - 4.2-7.7 Violated in 0 structures by 0.00 A. Peak 318 from nnoeabs.peaks (1.78, 8.17, 121.81 ppm; 3.82 A): 1 out of 3 assignments used, quality = 0.84: * HB3 LYS 60 + H ARG 61 OK 84 100 100 84 2.1-4.1 4.4=66, 3.0/316=34...(11) HB3 LYS 62 - H ARG 61 poor 16 100 25 65 4.3-7.3 819/4.6=34, 3.0/3600=16...(8) HB2 LYS 58 - H ARG 61 far 0 73 0 - 5.5-9.8 Violated in 3 structures by 0.02 A. Peak 326 from nnoeabs.peaks (4.24, 8.30, 122.70 ppm; 3.10 A): 2 out of 5 assignments used, quality = 0.99: HA LYS 62 + H LYS 62 OK 90 90 100 100 2.8-2.9 2.9=100 * HA ARG 61 + H LYS 62 OK 90 100 100 90 2.1-3.6 3.6=65, 3.0/328=40...(13) HA LYS 60 - H LYS 62 poor 8 81 30 34 3.8-6.6 809/4.6=10, 3.0/3091=7...(10) HA THR 59 - H LYS 62 far 4 87 5 - 3.5-9.7 HA GLU 20 - H LYS 62 far 0 78 0 - 7.7-19.2 Violated in 0 structures by 0.00 A. Peak 327 from nnoeabs.peaks (1.81, 8.30, 122.70 ppm; 3.77 A): 2 out of 5 assignments used, quality = 1.00: * HB2 ARG 61 + H LYS 62 OK 98 100 100 98 2.1-4.5 1.8/328=76, 4.6=54...(11) HB2 LYS 62 + H LYS 62 OK 86 89 100 97 2.3-4.0 4.0=82, 3073/2.9=26...(22) HB2 LYS 60 - H LYS 62 poor 18 73 25 - 2.6-8.0 HB2 LYS 58 - H LYS 62 far 0 98 0 - 5.4-13.1 HB3 MET 11 - H LYS 62 far 0 73 0 - 9.9-28.6 Violated in 1 structures by 0.00 A. Peak 328 from nnoeabs.peaks (1.73, 8.30, 122.70 ppm; 3.69 A): 1 out of 3 assignments used, quality = 0.94: * HB3 ARG 61 + H LYS 62 OK 94 100 100 94 2.5-3.8 4.6=50, 1.8/327=38...(10) HB2 ARG 56 - H LYS 62 far 0 99 0 - 5.4-13.9 HB3 LYS 58 - H LYS 62 far 0 100 0 - 5.6-13.2 Violated in 4 structures by 0.01 A. Peak 329 from nnoeabs.peaks (1.60, 8.30, 122.70 ppm; 4.84 A): 2 out of 5 assignments used, quality = 1.00: * HG2 ARG 61 + H LYS 62 OK 100 100 100 100 2.0-5.3 5.0=92, 2.9/328=87...(13) HG3 ARG 61 + H LYS 62 OK 100 100 100 100 2.1-5.5 5.0=92, 2.9/328=87...(12) HB3 LEU 64 - H LYS 62 far 0 81 0 - 7.4-10.3 HG3 ARG 21 - H LYS 62 far 0 99 0 - 9.2-25.2 HG LEU 68 - H LYS 62 far 0 85 0 - 9.9-19.1 Violated in 0 structures by 0.00 A. Peak 330 from nnoeabs.peaks (1.59, 8.30, 122.70 ppm; 4.84 A): 2 out of 5 assignments used, quality = 1.00: HG2 ARG 61 + H LYS 62 OK 100 100 100 100 2.0-5.3 5.0=92, 2.9/328=87...(13) * HG3 ARG 61 + H LYS 62 OK 100 100 100 100 2.1-5.5 5.0=92, 2.9/328=87...(12) HB3 LEU 64 - H LYS 62 far 0 78 0 - 7.4-10.3 HG3 ARG 21 - H LYS 62 far 0 98 0 - 9.2-25.2 HG LEU 68 - H LYS 62 far 0 83 0 - 9.9-19.1 Violated in 0 structures by 0.00 A. Peak 333 from nnoeabs.peaks (8.30, 8.38, 121.72 ppm; 5.01 A): 1 out of 4 assignments used, quality = 1.00: * H LYS 62 + H GLN 63 OK 100 100 100 100 2.5-4.6 4.6=100 H SER 66 - H GLN 63 far 12 81 15 - 4.8-9.2 H ARG 21 - H GLN 63 far 0 97 0 - 6.8-24.9 H ASN 54 - H GLN 63 far 0 99 0 - 8.9-20.4 Violated in 0 structures by 0.00 A. Peak 334 from nnoeabs.peaks (4.26, 8.38, 121.72 ppm; 3.28 A): 1 out of 5 assignments used, quality = 0.88: * HA LYS 62 + H GLN 63 OK 88 100 100 88 2.1-3.2 3.6=78, 3.0/335=36...(5) HA LYS 60 - H GLN 63 far 10 100 10 - 3.9-9.9 HA ARG 61 - H GLN 63 far 9 90 10 - 3.6-7.0 HA THR 59 - H GLN 63 far 0 100 0 - 5.1-12.5 HB THR 59 - H GLN 63 far 0 76 0 - 6.9-13.1 Violated in 0 structures by 0.00 A. Peak 335 from nnoeabs.peaks (1.83, 8.38, 121.72 ppm; 4.28 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LYS 62 + H GLN 63 OK 100 100 100 100 2.1-4.2 4.3=97, 3.0/334=79...(4) HB2 ARG 61 - H GLN 63 far 13 89 15 - 5.0-7.8 HB2 LYS 60 - H GLN 63 far 10 99 10 - 4.0-11.2 HB2 LYS 58 - H GLN 63 far 0 68 0 - 6.4-14.6 HB ILE 17 - H GLN 63 far 0 97 0 - 9.2-28.9 Violated in 0 structures by 0.00 A. Peak 336 from nnoeabs.peaks (1.77, 8.38, 121.72 ppm; 4.40 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LYS 62 + H GLN 63 OK 100 100 100 100 2.2-4.3 4.3=100 HB3 LYS 60 - H GLN 63 far 5 100 5 - 2.8-10.6 HB2 LYS 58 - H GLN 63 far 0 65 0 - 6.4-14.6 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 0.91: * HA GLN 63 + H LEU 64 OK 91 100 100 91 2.1-3.3 3.6=78, 3.0/914=20...(10) HA GLU 67 - H LEU 64 far 0 100 0 - 6.7-11.4 Violated in 0 structures by 0.00 A. Peak 345 from nnoeabs.peaks (2.08, 8.38, 123.55 ppm; 4.76 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLN 63 + H LEU 64 OK 100 100 100 100 2.1-4.5 4.6=100 HB2 GLU 67 - H LEU 64 far 0 98 0 - 7.5-12.9 HB VAL 16 - H LEU 64 far 0 100 0 - 8.7-30.2 Violated in 0 structures by 0.00 A. Peak 346 from nnoeabs.peaks (2.00, 8.38, 123.55 ppm; 4.65 A): 1 out of 3 assignments used, quality = 1.00: * HB3 GLN 63 + H LEU 64 OK 100 100 100 100 2.4-4.6 4.6=100 HD3 ARG 55 - H LEU 64 far 0 71 0 - 7.8-23.3 HB3 GLN 26 - H LEU 64 far 0 68 0 - 9.9-26.2 Violated in 0 structures by 0.00 A. Peak 351 from nnoeabs.peaks (8.38, 8.35, 116.28 ppm; 3.44 A): 1 out of 4 assignments used, quality = 0.90: * H LEU 64 + H SER 65 OK 90 100 100 90 2.0-3.4 914=68, 837/4.4=20...(11) H GLN 63 - H SER 65 poor 18 98 35 52 3.2-6.0 4.6/914=24, 3201/3.6=11...(8) H GLU 67 - H SER 65 far 9 92 10 - 4.5-8.0 H GLU 20 - H SER 65 far 0 71 0 - 7.7-27.6 Violated in 0 structures by 0.00 A. Peak 352 from nnoeabs.peaks (4.37, 8.35, 116.28 ppm; 4.14 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 64 + H SER 65 OK 100 100 100 100 2.2-3.6 3.6=100 HA LEU 68 - H SER 65 far 0 97 0 - 6.9-12.9 HA ASN 54 - H SER 65 far 0 85 0 - 8.6-21.2 HA HIS 13 - H SER 65 far 0 100 0 - 8.8-31.4 Violated in 0 structures by 0.00 A. Peak 353 from nnoeabs.peaks (1.66, 8.35, 116.28 ppm; 5.02 A): 2 out of 7 assignments used, quality = 1.00: * HB2 LEU 64 + H SER 65 OK 100 100 100 100 2.6-4.6 4.4=100 HG LEU 64 + H SER 65 OK 74 78 100 94 2.4-5.4 2.1/3635=52, 5.1/351=52...(6) HD3 LYS 60 - H SER 65 far 5 98 5 - 5.9-17.8 HD2 LYS 60 - H SER 65 far 5 97 5 - 6.0-17.1 HD2 LYS 62 - H SER 65 lone 4 98 40 9 4.1-10.0 836/351=3, 3.4/3617=2 HD3 LYS 62 - H SER 65 lone 2 99 30 8 3.7-11.1 836/351=3, 3.4/3617=2 HB2 LEU 68 - H SER 65 far 0 71 0 - 8.6-13.4 Violated in 0 structures by 0.00 A. Peak 354 from nnoeabs.peaks (1.62, 8.35, 116.28 ppm; 4.88 A): 2 out of 7 assignments used, quality = 1.00: * HB3 LEU 64 + H SER 65 OK 100 100 100 100 2.1-4.6 4.4=100 HG LEU 64 + H SER 65 OK 72 78 100 92 2.4-5.4 2.1/3635=50, 5.1/351=49...(6) HG2 ARG 61 - H SER 65 far 4 81 5 - 5.0-13.7 HG3 ARG 61 - H SER 65 far 4 78 5 - 5.1-13.5 HG LEU 68 - H SER 65 far 0 100 0 - 7.8-13.3 HB2 LEU 68 - H SER 65 far 0 85 0 - 8.6-13.4 HB3 LEU 68 - H SER 65 far 0 93 0 - 9.1-12.8 Violated in 0 structures by 0.00 A. Peak 355 from nnoeabs.peaks (1.64, 8.35, 116.28 ppm; 4.88 A): 3 out of 6 assignments used, quality = 1.00: * HG LEU 64 + H SER 65 OK 94 100 100 94 2.4-5.4 2.1/3635=50, 5.1/351=49...(7) HB3 LEU 64 + H SER 65 OK 78 78 100 100 2.1-4.6 4.4=100 HB2 LEU 64 + H SER 65 OK 78 78 100 100 2.6-4.6 4.4=100 HG LEU 68 - H SER 65 far 0 73 0 - 7.8-13.3 HB2 LEU 68 - H SER 65 far 0 100 0 - 8.6-13.4 HB3 LEU 68 - H SER 65 far 0 99 0 - 9.1-12.8 Violated in 0 structures by 0.00 A. Peak 358 from nnoeabs.peaks (8.35, 8.28, 117.12 ppm; 5.38 A): 1 out of 3 assignments used, quality = 1.00: * H SER 65 + H SER 66 OK 100 100 100 100 2.2-4.6 4.6=100 H GLN 63 - H SER 66 poor 16 81 20 - 4.8-9.2 H GLN 63 - H ASN 54 far 0 35 0 - 8.9-20.4 Violated in 0 structures by 0.00 A. Peak 359 from nnoeabs.peaks (4.43, 8.28, 117.12 ppm; 4.03 A): 2 out of 4 assignments used, quality = 1.00: * HA SER 65 + H SER 66 OK 100 100 100 100 2.1-3.5 3.6=100 HA SER 66 + H SER 66 OK 90 90 100 100 2.8-2.9 3.0=100 HA TYR 57 - H ASN 54 far 0 50 0 - 6.5-7.6 HA TYR 57 - H SER 66 far 0 100 0 - 7.2-20.0 Violated in 0 structures by 0.00 A. Peak 360 from nnoeabs.peaks (3.93, 8.28, 117.12 ppm; 4.87 A): 3 out of 8 assignments used, quality = 1.00: * HB2 SER 65 + H SER 66 OK 100 100 100 100 2.6-4.5 4.5=100 HB2 SER 66 + H SER 66 OK 96 96 100 100 2.4-4.1 4.0=100 HA GLN 53 + H ASN 54 OK 49 49 100 100 3.6-3.6 3.6=100 HA GLN 47 - H ASN 54 far 0 25 0 - 8.1-8.9 HA LYS 27 - H ASN 54 far 0 25 0 - 9.0-11.8 HB2 SER 66 - H ASN 54 far 0 45 0 - 9.4-24.5 HA GLN 53 - H SER 66 far 0 99 0 - 9.9-21.4 HA THR 46 - H ASN 54 far 0 27 0 - 10.0-10.8 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-4.5 4.5=100 HB3 SER 66 + H SER 66 OK 100 100 100 100 2.5-3.7 4.0=100 Violated in 0 structures by 0.00 A. Peak 363 from nnoeabs.peaks (4.45, 8.40, 122.42 ppm; 3.59 A): 1 out of 3 assignments used, quality = 1.00: * HA SER 66 + H GLU 67 OK 100 100 100 100 2.1-3.5 3.6=100 HA SER 65 - H GLU 67 far 14 90 15 - 3.5-6.6 HA TYR 57 - H GLU 67 far 0 95 0 - 7.2-19.6 Violated in 0 structures by 0.00 A. Peak 364 from nnoeabs.peaks (3.94, 8.40, 122.42 ppm; 4.95 A): 1 out of 4 assignments used, quality = 1.00: * HB2 SER 66 + H GLU 67 OK 100 100 100 100 2.3-4.5 4.4=100 HB2 SER 65 - H GLU 67 poor 12 96 45 27 5.1-8.1 266/4.7=12, 3640=6...(4) HB3 SER 24 - H GLU 67 far 0 60 0 - 6.9-28.8 HB2 SER 24 - H GLU 67 far 0 65 0 - 7.6-27.5 Violated in 0 structures by 0.00 A. Peak 365 from nnoeabs.peaks (3.87, 8.40, 122.42 ppm; 5.14 A): 1 out of 2 assignments used, quality = 1.00: * HB3 SER 66 + H GLU 67 OK 100 100 100 100 2.3-4.4 4.4=100 HB3 SER 65 - H GLU 67 lone 8 100 60 13 5.4-8.0 1.8/364=9, 3264/3.6=3 Violated in 0 structures by 0.00 A. Peak 366 from nnoeabs.peaks (8.40, 8.14, 122.19 ppm; 4.24 A): 1 out of 3 assignments used, quality = 0.99: * H GLU 67 + H LEU 68 OK 99 100 100 99 1.9-4.2 917=89, 3.0/367=78...(9) H GLN 63 - H LEU 68 far 0 73 0 - 8.2-15.0 H LEU 64 - H LEU 68 far 0 92 0 - 8.3-12.6 Violated in 2 structures by 0.00 A. Peak 367 from nnoeabs.peaks (4.31, 8.14, 122.19 ppm; 3.34 A): 1 out of 2 assignments used, quality = 0.94: * HA GLU 67 + H LEU 68 OK 94 100 100 94 2.1-3.4 3.6=82, 3.0/366=38...(5) HA GLN 63 - H LEU 68 far 0 100 0 - 9.4-15.2 Violated in 3 structures by 0.00 A. Peak 368 from nnoeabs.peaks (2.09, 8.14, 122.19 ppm; 4.65 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLU 67 + H LEU 68 OK 100 100 100 100 3.2-4.6 4.7=100 HB2 GLN 63 - H LEU 68 far 0 98 0 - 8.2-16.2 HB VAL 16 - H LEU 68 far 0 96 0 - 8.5-32.4 Violated in 0 structures by 0.00 A. Peak 369 from nnoeabs.peaks (1.96, 8.14, 122.19 ppm; 4.82 A): 1 out of 3 assignments used, quality = 1.00: * HB3 GLU 67 + H LEU 68 OK 100 100 100 100 3.7-4.5 4.7=100 HD3 ARG 55 - H LEU 68 far 0 96 0 - 7.4-26.8 HB ILE 50 - H LEU 68 far 0 76 0 - 8.4-30.7 Violated in 0 structures by 0.00 A. Peak 372 from nnoeabs.peaks (8.14, 7.90, 115.34 ppm; 5.01 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 68 + H GLY 69 OK 100 100 100 100 2.2-4.6 4.6=100 H LYS 27 - H GLY 69 far 0 78 0 - 9.5-28.6 Violated in 0 structures by 0.00 A. Peak 373 from nnoeabs.peaks (4.36, 7.90, 115.34 ppm; 3.84 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 68 + H GLY 69 OK 100 100 100 100 2.1-3.6 3.6=100 HA ASN 54 - H GLY 69 far 0 99 0 - 9.7-29.7 HA LEU 64 - H GLY 69 far 0 97 0 - 9.7-16.4 HA HIS 13 - H GLY 69 far 0 96 0 - 9.9-39.7 Violated in 0 structures by 0.00 A. Peak 374 from nnoeabs.peaks (1.64, 7.90, 115.34 ppm; 4.97 A): 3 out of 3 assignments used, quality = 1.00: * HB2 LEU 68 + H GLY 69 OK 100 100 100 100 2.1-4.5 4.3=100 HB3 LEU 68 + H GLY 69 OK 100 100 100 100 2.3-4.4 4.3=100 HG LEU 68 + H GLY 69 OK 61 81 100 76 2.5-6.0 2.1/3651=40, 2.1/3651=40...(4) Violated in 0 structures by 0.00 A. Peak 375 from nnoeabs.peaks (1.63, 7.90, 115.34 ppm; 4.97 A): 3 out of 3 assignments used, quality = 1.00: * HB3 LEU 68 + H GLY 69 OK 100 100 100 100 2.3-4.4 4.3=100 HB2 LEU 68 + H GLY 69 OK 100 100 100 100 2.1-4.5 4.3=100 HG LEU 68 + H GLY 69 OK 69 90 100 76 2.5-6.0 2.1/3651=40, 2.1/3651=40...(4) Violated in 0 structures by 0.00 A. Peak 379 from nnoeabs.peaks (8.02, 7.29, 110.97 ppm; 4.40 A): 1 out of 3 assignments used, quality = 1.00: * H ASN 40 + HD21 ASN 40 OK 100 100 100 100 2.6-3.8 662=86, 660/3.5=78...(6) H HIS 36 - HD21 ASN 40 poor 13 63 20 - 5.8-6.4 H LYS 22 - HD21 ASN 40 far 0 96 0 - 7.9-10.9 Violated in 0 structures by 0.00 A. Peak 380 from nnoeabs.peaks (4.37, 7.29, 110.97 ppm; 4.96 A): 1 out of 3 assignments used, quality = 1.00: * HA ASN 40 + HD21 ASN 40 OK 100 100 100 100 2.5-4.3 4.4=100 HA LYS 22 - HD21 ASN 40 far 0 81 0 - 8.0-11.0 HA PRO 32 - HD21 ASN 40 far 0 98 0 - 9.4-10.8 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-2.7 3.5=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.0-3.6 3.5=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. Peak 385 from nnoeabs.peaks (8.02, 6.52, 110.97 ppm; 4.64 A): 1 out of 3 assignments used, quality = 1.00: * H ASN 40 + HD22 ASN 40 OK 100 100 100 100 4.2-4.7 663=87, 379/1.7=85...(5) H HIS 36 - HD22 ASN 40 far 0 63 0 - 6.7-7.6 H LYS 22 - HD22 ASN 40 far 0 96 0 - 8.9-11.8 Violated in 15 structures by 0.04 A. Peak 386 from nnoeabs.peaks (4.37, 6.52, 110.97 ppm; 5.00 A): 1 out of 3 assignments used, quality = 1.00: * HA ASN 40 + HD22 ASN 40 OK 100 100 100 100 3.5-4.4 4.4=100 HA LYS 22 - HD22 ASN 40 far 0 81 0 - 9.0-12.1 HA PRO 32 - HD22 ASN 40 far 0 98 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.4-3.7 3.5=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.8-4.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 389 from nnoeabs.peaks (7.29, 6.52, 110.97 ppm; 2.40 A): 1 out of 2 assignments used, quality = 1.00: * HD21 ASN 40 + HD22 ASN 40 OK 100 100 100 100 1.7-1.7 1.7=100 HD2 HIS 25 - HD22 ASN 40 far 0 90 0 - 9.3-16.2 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * H ASN 54 + HD21 ASN 54 OK 100 100 100 100 2.6-4.4 759/3.4=83, 758/3.4=79...(8) H TRP 51 + HD21 ASN 54 OK 55 60 95 97 4.1-6.2 4.3/4660=64, 2.9/4664=62...(6) H SER 66 - HD21 ASN 54 far 0 93 0 - 6.6-25.0 H LYS 62 - HD21 ASN 54 far 0 99 0 - 9.3-19.8 Violated in 0 structures by 0.00 A. Peak 392 from nnoeabs.peaks (4.36, 7.49, 112.83 ppm; 4.97 A): 1 out of 5 assignments used, quality = 1.00: * HA ASN 54 + HD21 ASN 54 OK 100 100 100 100 3.5-4.4 4.5=100 HA LEU 68 - HD21 ASN 54 far 5 99 5 - 4.4-31.0 HA LYS 49 - H TYR 28 far 0 29 0 - 7.5-10.4 HA LYS 49 - HD21 ASN 54 far 0 65 0 - 7.7-10.2 HA LYS 22 - H TYR 28 far 0 55 0 - 8.5-9.9 Violated in 0 structures by 0.00 A. Peak 393 from nnoeabs.peaks (2.48, 7.49, 112.83 ppm; 3.94 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASN 54 + HD21 ASN 54 OK 100 100 100 100 2.5-3.4 3.4=100 HG3 MET 11 - HD21 ASN 54 far 0 98 0 - 8.2-12.3 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-2.5 3.4=100 Violated in 0 structures by 0.00 A. Peak 395 from nnoeabs.peaks (7.49, 7.49, 112.83 ppm; diagonal): 2 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 4 assignments used, quality = 1.00: * HD22 ASN 54 + HD21 ASN 54 OK 100 100 100 100 1.7-1.7 1.7=100 HE21 GLN 53 - HD21 ASN 54 far 0 68 0 - 4.0-9.6 HE21 GLN 47 - HD21 ASN 54 far 0 100 0 - 9.0-10.7 HE21 GLN 53 - H TYR 28 far 0 31 0 - 9.4-16.1 Violated in 0 structures by 0.00 A. Peak 397 from nnoeabs.peaks (8.29, 6.91, 112.83 ppm; 4.93 A): 1 out of 3 assignments used, quality = 1.00: * H ASN 54 + HD22 ASN 54 OK 100 100 100 100 3.3-4.9 5.1=88, 759/3.4=88...(8) H TRP 51 - HD22 ASN 54 far 9 60 15 - 3.3-7.1 H SER 66 - HD22 ASN 54 far 5 93 5 - 6.4-26.0 Violated in 0 structures by 0.00 A. Peak 398 from nnoeabs.peaks (4.36, 6.91, 112.83 ppm; 5.19 A): 1 out of 3 assignments used, quality = 1.00: * HA ASN 54 + HD22 ASN 54 OK 100 100 100 100 4.0-5.2 4.5=100 HA LEU 68 - HD22 ASN 54 far 5 99 5 - 5.0-31.5 HA LYS 49 - HD22 ASN 54 far 0 65 0 - 7.5-10.6 Violated in 1 structures by 0.00 A. Peak 399 from nnoeabs.peaks (2.48, 6.91, 112.83 ppm; 4.01 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ASN 54 + HD22 ASN 54 OK 100 100 100 100 3.6-4.0 3.4=100 HG3 MET 11 - HD22 ASN 54 far 0 98 0 - 7.6-13.6 HG2 GLU 20 - HD22 ASN 54 far 0 96 0 - 8.6-16.2 Violated in 2 structures by 0.00 A. 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 100 100 100 100 3.4-3.6 3.4=100 Violated in 0 structures by 0.00 A. Peak 401 from nnoeabs.peaks (7.49, 6.91, 112.83 ppm; 2.40 A): 1 out of 2 assignments used, quality = 1.00: * HD21 ASN 54 + HD22 ASN 54 OK 100 100 100 100 1.7-1.7 1.7=100 HE22 GLN 53 - HD22 ASN 54 far 0 92 0 - 5.1-10.1 Violated in 0 structures by 0.00 A. 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): 3 out of 3 assignments used, quality = 0.99: * HB2 GLN 15 + HE21 GLN 15 OK 94 100 100 94 2.0-4.5 4.6=54, 1.8/406=32...(13) HG3 GLN 15 + HE21 GLN 15 OK 85 85 100 100 2.2-3.6 3.5=100 HG3 MET 11 + HE21 GLN 15 OK 42 83 65 77 2.1-6.4 4724/4034=34, ~4823=19...(11) Violated in 0 structures by 0.00 A. Peak 406 from nnoeabs.peaks (1.63, 7.79, 112.24 ppm; 4.26 A): 2 out of 4 assignments used, quality = 1.00: * HB3 GLN 15 + HE21 GLN 15 OK 99 100 100 99 2.5-4.5 4.6=79, 414/1.7=38...(15) HB2 LEU 41 + HE21 GLN 15 OK 90 90 100 100 1.9-5.2 3.0/4031=55, 1.8/4435=55...(23) HD3 LYS 42 - HE21 GLN 15 far 3 65 5 - 5.2-8.9 HB2 LEU 68 - HE21 GLN 15 far 0 100 0 - 9.7-40.0 Violated in 1 structures by 0.00 A. Peak 407 from nnoeabs.peaks (2.30, 7.79, 112.24 ppm; 3.55 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLN 15 + HE21 GLN 15 OK 100 100 100 100 2.1-2.9 3.5=100 HG2 GLU 18 - HE21 GLN 15 far 4 78 5 - 4.4-7.9 Violated in 0 structures by 0.00 A. Peak 408 from nnoeabs.peaks (2.48, 7.79, 112.24 ppm; 3.75 A): 3 out of 4 assignments used, quality = 1.00: * HG3 GLN 15 + HE21 GLN 15 OK 100 100 100 100 2.2-3.6 3.5=100 HB2 GLN 15 + HE21 GLN 15 OK 79 85 100 93 2.0-4.5 4.6=54, 1.8/406=32...(13) HG3 MET 11 + HE21 GLN 15 OK 55 100 65 85 2.1-6.4 4724/4034=45...(11) HG2 GLU 20 - HE21 GLN 15 far 0 78 0 - 9.3-12.5 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. Peak 413 from nnoeabs.peaks (2.50, 6.69, 112.24 ppm; 3.97 A): 3 out of 3 assignments used, quality = 1.00: * HB2 GLN 15 + HE22 GLN 15 OK 97 100 100 97 3.2-4.9 4.6=64, 405/1.7=35...(12) HG3 GLN 15 + HE22 GLN 15 OK 85 85 100 100 3.5-4.1 3.5=100 HG3 MET 11 + HE22 GLN 15 OK 61 83 90 82 2.5-5.8 4724/4041=40...(10) Violated in 0 structures by 0.00 A. Peak 414 from nnoeabs.peaks (1.63, 6.69, 112.24 ppm; 4.44 A): 2 out of 4 assignments used, quality = 1.00: * HB3 GLN 15 + HE22 GLN 15 OK 100 100 100 100 3.6-5.1 4.6=90, 406/1.7=43...(12) HB2 LEU 41 + HE22 GLN 15 OK 90 90 100 100 3.4-5.6 ~4435=54, 4442/3.5=47...(24) HD3 LYS 42 - HE22 GLN 15 far 3 65 5 - 5.3-7.8 HB2 LEU 68 - HE22 GLN 15 far 0 100 0 - 9.5-41.2 Violated in 0 structures by 0.00 A. Peak 415 from nnoeabs.peaks (2.30, 6.69, 112.24 ppm; 3.73 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLN 15 + HE22 GLN 15 OK 100 100 100 100 3.4-3.8 3.5=100 HG2 GLU 18 - HE22 GLN 15 far 0 78 0 - 6.0-9.2 Violated in 1 structures by 0.00 A. Peak 416 from nnoeabs.peaks (2.48, 6.69, 112.24 ppm; 3.97 A): 3 out of 3 assignments used, quality = 1.00: * HG3 GLN 15 + HE22 GLN 15 OK 100 100 100 100 3.5-4.1 3.5=100 HB2 GLN 15 + HE22 GLN 15 OK 82 85 100 96 3.2-4.9 4.6=64, 1.8/414=33...(12) HG3 MET 11 + HE22 GLN 15 OK 80 100 90 89 2.5-5.8 4724/4041=54...(10) Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HB2 GLN 26 + HE21 GLN 26 OK 100 100 100 100 3.5-4.8 4.6=96, 429/1.7=46...(15) HB3 GLN 26 + HE21 GLN 26 OK 100 100 100 100 3.6-4.2 4.6=96, 429/1.7=46...(15) Violated in 0 structures by 0.00 A. Peak 422 from nnoeabs.peaks (2.02, 7.40, 113.37 ppm; 4.57 A): 2 out of 2 assignments used, quality = 1.00: HB2 GLN 26 + HE21 GLN 26 OK 100 100 100 100 3.5-4.8 4.6=96, 429/1.7=46...(15) * HB3 GLN 26 + HE21 GLN 26 OK 100 100 100 100 3.6-4.2 4.6=96, 429/1.7=46...(15) Violated in 0 structures by 0.00 A. Peak 423 from nnoeabs.peaks (2.29, 7.40, 113.37 ppm; 3.64 A): 2 out of 5 assignments used, quality = 1.00: * HG2 GLN 26 + HE21 GLN 26 OK 100 100 100 100 3.4-4.1 3.5=100 HG3 GLN 26 + HE21 GLN 26 OK 100 100 100 100 3.5-4.1 3.5=100 HB3 GLU 33 - HE21 GLN 26 poor 11 60 85 21 3.3-5.7 4310/4195=16, 4786/4190=5 HB3 PRO 32 - HE21 GLN 26 far 0 83 0 - 7.5-9.9 HG2 GLU 67 - HE21 GLN 26 far 0 99 0 - 9.8-32.4 Violated in 0 structures by 0.00 A. Peak 424 from nnoeabs.peaks (2.29, 7.40, 113.37 ppm; 3.64 A): 2 out of 5 assignments used, quality = 1.00: * HG3 GLN 26 + HE21 GLN 26 OK 100 100 100 100 3.5-4.1 3.5=100 HG2 GLN 26 + HE21 GLN 26 OK 100 100 100 100 3.4-4.1 3.5=100 HB3 GLU 33 - HE21 GLN 26 poor 12 63 85 23 3.3-5.7 4310/4195=17, 4786/4190=6 HB3 PRO 32 - HE21 GLN 26 far 0 85 0 - 7.5-9.9 HG2 GLU 67 - HE21 GLN 26 far 0 98 0 - 9.8-32.4 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HE22 GLN 26 + HE21 GLN 26 OK 100 100 100 100 1.7-1.7 1.7=100 H HIS 25 - HE21 GLN 26 far 0 97 0 - 6.5-8.7 Violated in 0 structures by 0.00 A. Peak 429 from nnoeabs.peaks (2.02, 7.64, 113.37 ppm; 3.98 A): 2 out of 2 assignments used, quality = 1.00: HB3 GLN 26 + HE22 GLN 26 OK 98 100 100 98 2.3-3.7 4.6=64, 3.0/432=37...(14) * HB2 GLN 26 + HE22 GLN 26 OK 98 100 100 98 1.9-4.4 4.6=64, 3.0/432=37...(14) Violated in 0 structures by 0.00 A. Peak 430 from nnoeabs.peaks (2.02, 7.64, 113.37 ppm; 3.98 A): 2 out of 2 assignments used, quality = 1.00: * HB3 GLN 26 + HE22 GLN 26 OK 98 100 100 98 2.3-3.7 4.6=64, 3.0/432=37...(14) HB2 GLN 26 + HE22 GLN 26 OK 98 100 100 98 1.9-4.4 4.6=64, 3.0/432=37...(14) Violated in 0 structures by 0.00 A. Peak 431 from nnoeabs.peaks (2.29, 7.64, 113.37 ppm; 3.11 A): 2 out of 5 assignments used, quality = 1.00: HG3 GLN 26 + HE22 GLN 26 OK 93 100 100 93 2.2-3.5 3.5=70, 1.8/1595=25...(14) * HG2 GLN 26 + HE22 GLN 26 OK 93 100 100 93 2.1-3.5 3.5=70, 1.8/1595=25...(14) HB3 GLU 33 - HE22 GLN 26 poor 15 60 25 - 3.9-5.7 HB3 PRO 32 - HE22 GLN 26 far 0 83 0 - 8.7-11.0 HG2 GLU 67 - HE22 GLN 26 far 0 99 0 - 8.7-31.4 Violated in 0 structures by 0.00 A. Peak 432 from nnoeabs.peaks (2.29, 7.64, 113.37 ppm; 3.11 A): 2 out of 5 assignments used, quality = 1.00: * HG3 GLN 26 + HE22 GLN 26 OK 93 100 100 93 2.2-3.5 3.5=70, 1.8/1595=25...(14) HG2 GLN 26 + HE22 GLN 26 OK 93 100 100 93 2.1-3.5 3.5=70, 1.8/1595=25...(14) HB3 GLU 33 - HE22 GLN 26 poor 16 63 25 - 3.9-5.7 HB3 PRO 32 - HE22 GLN 26 far 0 85 0 - 8.7-11.0 HG2 GLU 67 - HE22 GLN 26 far 0 98 0 - 8.7-31.4 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. Peak 437 from nnoeabs.peaks (2.58, 6.91, 112.23 ppm; 4.43 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 47 + HE21 GLN 47 OK 100 100 100 100 3.5-4.5 4.6=90, 445/1.7=84...(13) Violated in 4 structures by 0.01 A. Peak 438 from nnoeabs.peaks (1.83, 6.91, 112.23 ppm; 4.76 A): 2 out of 2 assignments used, quality = 1.00: * HB3 GLN 47 + HE21 GLN 47 OK 100 100 100 100 2.4-3.4 4.6=100 HB3 MET 11 + HE21 GLN 47 OK 37 98 40 93 5.3-7.7 3.0/4730=52...(5) Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.5-4.1 3.4=100 Violated in 0 structures by 0.00 A. Peak 440 from nnoeabs.peaks (2.40, 6.91, 112.23 ppm; 3.68 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLN 47 + HE21 GLN 47 OK 100 100 100 100 2.3-3.7 3.4=100 HG2 MET 11 + HE21 GLN 47 OK 57 89 80 81 3.4-6.2 4719/4558=39, ~4732=30...(6) Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HE22 GLN 47 + HE21 GLN 47 OK 100 100 100 100 1.7-1.7 1.7=100 H VAL 48 - HE21 GLN 47 far 0 90 0 - 5.7-6.8 Violated in 0 structures by 0.00 A. Peak 445 from nnoeabs.peaks (2.58, 7.67, 112.23 ppm; 4.17 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 47 + HE22 GLN 47 OK 100 100 100 100 3.0-4.2 2347/3.4=75, 4.6=75...(13) Violated in 3 structures by 0.01 A. Peak 446 from nnoeabs.peaks (1.83, 7.67, 112.23 ppm; 4.55 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLN 47 + HE22 GLN 47 OK 100 100 100 100 1.9-3.8 4.6=97, 1.8/445=87...(14) HB3 MET 11 - HE22 GLN 47 far 10 98 10 - 5.7-8.0 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.5-4.1 3.4=100 Violated in 3 structures by 0.02 A. Peak 448 from nnoeabs.peaks (2.40, 7.67, 112.23 ppm; 3.56 A): 2 out of 3 assignments used, quality = 1.00: * HG3 GLN 47 + HE22 GLN 47 OK 100 100 100 100 2.6-3.6 3.4=100 HG2 MET 11 + HE22 GLN 47 OK 44 89 65 76 3.1-6.5 4719/4559=32...(6) HG2 GLU 45 - HE22 GLN 47 far 0 100 0 - 9.5-10.9 Violated in 0 structures by 0.00 A. Peak 449 from nnoeabs.peaks (6.91, 7.67, 112.23 ppm; 2.40 A): 1 out of 2 assignments used, quality = 1.00: * HE21 GLN 47 + HE22 GLN 47 OK 100 100 100 100 1.7-1.7 1.7=100 HD22 ASN 54 - HE22 GLN 47 far 0 100 0 - 7.5-12.5 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-3.7 3.5=100 Violated in 0 structures by 0.00 A. Peak 456 from nnoeabs.peaks (2.37, 6.93, 111.45 ppm; 4.66 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLN 53 + HE21 GLN 53 OK 100 100 100 100 2.1-4.1 3.5=100 HG3 GLN 63 - HE21 GLN 53 far 0 99 0 - 8.0-26.5 HG2 GLN 63 - HE21 GLN 53 far 0 97 0 - 8.0-26.1 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * HE22 GLN 53 + HE21 GLN 53 OK 100 100 100 100 1.7-1.7 1.7=100 HD21 ASN 54 - HE21 GLN 53 far 0 92 0 - 4.0-9.6 QE PHE 52 - HE21 GLN 53 far 0 65 0 - 8.5-11.9 H TYR 28 - HE21 GLN 53 far 0 100 0 - 9.4-16.1 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-4.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 464 from nnoeabs.peaks (2.37, 7.50, 111.45 ppm; 4.08 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLN 53 + HE22 GLN 53 OK 100 100 100 100 3.4-4.1 3.5=100 HG2 GLN 63 - HE22 GLN 53 far 0 97 0 - 6.3-27.4 HG3 GLN 63 - HE22 GLN 53 far 0 99 0 - 6.5-27.7 Violated in 0 structures by 0.00 A. Peak 465 from nnoeabs.peaks (6.93, 7.50, 111.45 ppm; 2.41 A): 1 out of 3 assignments used, quality = 1.00: * HE21 GLN 53 + HE22 GLN 53 OK 100 100 100 100 1.7-1.7 1.7=100 HD22 ASN 54 - HE22 GLN 53 far 0 68 0 - 5.1-10.1 HZ PHE 23 - HE22 GLN 53 far 0 93 0 - 9.0-12.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-3.6 3.5=100 HG3 GLN 63 + HE21 GLN 63 OK 100 100 100 100 2.2-3.6 3.5=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-3.6 3.5=100 HG2 GLN 63 + HE21 GLN 63 OK 100 100 100 100 2.1-3.6 3.5=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.4-4.1 3.5=100 HG3 GLN 63 + HE22 GLN 63 OK 100 100 100 100 3.5-4.1 3.5=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.5-4.1 3.5=100 HG2 GLN 63 + HE22 GLN 63 OK 100 100 100 100 3.4-4.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 481 from nnoeabs.peaks (7.53, 6.87, 112.44 ppm; 2.40 A): 1 out of 2 assignments used, quality = 1.00: * HE21 GLN 63 + HE22 GLN 63 OK 100 100 100 100 1.7-1.7 1.7=100 QE PHE 52 - HE22 GLN 63 far 0 100 0 - 9.9-24.7 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HD1 TRP 51 + HE1 TRP 51 OK 100 100 100 100 2.6-2.6 2.6=100 HD2 HIS 13 - HE1 TRP 51 far 0 83 0 - 9.2-12.1 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-2.8 2.8=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-2.9 3.0=100 HA HIS 10 + H MET 11 OK 63 63 100 100 2.2-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 495 from nnoeabs.peaks (2.00, 8.23, 121.29 ppm; 4.68 A): 1 out of 3 assignments used, quality = 1.00: * HB2 MET 11 + H MET 11 OK 100 100 100 100 2.1-3.8 3.7=100 HD3 ARG 55 - H MET 11 far 0 71 0 - 7.4-11.9 HB2 GLU 18 - H MET 11 far 0 100 0 - 9.7-11.4 Violated in 0 structures by 0.00 A. Peak 496 from nnoeabs.peaks (1.83, 8.23, 121.29 ppm; 4.33 A): 1 out of 3 assignments used, quality = 1.00: * HB3 MET 11 + H MET 11 OK 100 100 100 100 2.2-3.6 3.7=100 HB3 GLN 47 - H MET 11 far 0 98 0 - 6.1-9.7 HB2 LYS 62 - H MET 11 far 0 99 0 - 7.9-30.6 Violated in 0 structures by 0.00 A. Peak 497 from nnoeabs.peaks (2.39, 8.23, 121.29 ppm; 5.48 A): 1 out of 3 assignments used, quality = 1.00: * HG2 MET 11 + H MET 11 OK 100 100 100 100 2.0-4.6 4.8=100 HG3 GLN 47 - H MET 11 far 0 89 0 - 7.5-10.8 HD2 ARG 55 - H MET 11 far 0 81 0 - 8.4-12.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 500 from nnoeabs.peaks (4.37, 9.36, 119.62 ppm; 4.76 A): 2 out of 2 assignments used, quality = 1.00: * HB2 SER 12 + H SER 12 OK 100 100 100 100 2.2-3.3 3.9=100 HA HIS 13 + H SER 12 OK 33 100 100 33 4.7-5.8 924/4012=23, 1106/2.9=11 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-4.0 3.9=100 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HA THR 14 + H THR 14 OK 100 100 100 100 2.7-2.9 3.0=100 HA GLN 15 - H THR 14 far 0 85 0 - 5.1-5.4 Violated in 0 structures by 0.00 A. Peak 504 from nnoeabs.peaks (4.04, 7.92, 111.33 ppm; 3.40 A): 1 out of 1 assignment used, quality = 0.95: * HB THR 14 + H THR 14 OK 95 100 100 95 2.5-3.0 1136=74, 2.1/505=58...(5) Violated in 0 structures by 0.00 A. Peak 505 from nnoeabs.peaks (1.21, 7.92, 111.33 ppm; 3.71 A): 1 out of 1 assignment used, quality = 0.99: * QG2 THR 14 + H THR 14 OK 99 100 100 99 3.7-3.8 4.0=81, 2.1/504=75...(4) Violated in 18 structures by 0.03 A. 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 100 100 100 100 2.7-2.9 3.0=100 HA THR 14 + H GLN 15 OK 85 85 100 100 3.4-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 508 from nnoeabs.peaks (2.50, 7.51, 120.36 ppm; 3.21 A): 2 out of 3 assignments used, quality = 1.00: * HB2 GLN 15 + H GLN 15 OK 98 100 100 98 2.1-3.6 4.0=51, 1.8/509=48...(22) HG3 GLN 15 + H GLN 15 OK 80 85 100 94 2.1-4.4 1176=40, 1.8/1168=39...(13) HG3 MET 11 - H GLN 15 far 0 83 0 - 6.5-8.3 Violated in 0 structures by 0.00 A. Peak 509 from nnoeabs.peaks (1.63, 7.51, 120.36 ppm; 4.01 A): 1 out of 4 assignments used, quality = 0.99: * HB3 GLN 15 + H GLN 15 OK 99 100 100 99 2.2-3.4 4.0=99 HB2 LEU 41 - H GLN 15 far 0 90 0 - 6.6-9.0 HD3 LYS 42 - H GLN 15 far 0 65 0 - 8.5-11.8 HG3 ARG 21 - H GLN 15 far 0 60 0 - 9.2-12.4 Violated in 0 structures by 0.00 A. Peak 510 from nnoeabs.peaks (2.30, 7.51, 120.36 ppm; 4.21 A): 2 out of 2 assignments used, quality = 1.00: * HG2 GLN 15 + H GLN 15 OK 100 100 100 100 2.2-4.6 1168=90, 1.8/1176=82...(13) HG2 GLU 18 + H GLN 15 OK 51 78 70 93 4.4-6.3 4009/4.0=33, 4096/3.0=32...(14) Violated in 8 structures by 0.01 A. Peak 511 from nnoeabs.peaks (2.48, 7.51, 120.36 ppm; 3.32 A): 2 out of 4 assignments used, quality = 1.00: * HG3 GLN 15 + H GLN 15 OK 98 100 100 98 2.1-4.4 1176=58, 1177/3.0=44...(14) HB2 GLN 15 + H GLN 15 OK 84 85 100 99 2.1-3.6 4.0=57, 1.8/509=52...(22) HG3 MET 11 - H GLN 15 far 0 100 0 - 6.5-8.3 HG2 GLU 20 - H GLN 15 far 0 78 0 - 8.4-9.9 Violated in 0 structures by 0.00 A. 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 5 assignments used, quality = 1.00: * HA VAL 16 + H VAL 16 OK 100 100 100 100 2.7-2.9 3.0=100 HB2 HIS 13 - H VAL 16 far 0 95 0 - 5.5-6.1 HB2 HIS 10 - H VAL 16 far 0 73 0 - 6.3-10.8 HD2 ARG 21 - H VAL 16 far 0 71 0 - 8.6-11.9 HD3 ARG 21 - H VAL 16 far 0 98 0 - 8.8-10.5 Violated in 0 structures by 0.00 A. Peak 516 from nnoeabs.peaks (2.07, 7.83, 117.36 ppm; 3.08 A): 1 out of 1 assignment used, quality = 0.99: * HB VAL 16 + H VAL 16 OK 99 100 100 99 2.1-2.1 1189=88, 2.1/1194=61...(7) Violated in 0 structures by 0.00 A. Peak 517 from nnoeabs.peaks (1.01, 7.83, 117.36 ppm; 2.99 A): 2 out of 3 assignments used, quality = 1.00: * QG2 VAL 16 + H VAL 16 OK 99 100 100 99 3.2-3.4 1194=87, 2.1/516=59...(14) QG1 VAL 16 + H VAL 16 OK 80 83 100 96 3.1-3.4 2.1/516=59, 2.1/1194=58...(12) QG1 VAL 48 - H VAL 16 far 0 90 0 - 8.9-10.7 Violated in 0 structures by 0.00 A. Peak 518 from nnoeabs.peaks (1.03, 7.83, 117.36 ppm; 2.91 A): 2 out of 2 assignments used, quality = 0.99: * QG1 VAL 16 + H VAL 16 OK 96 100 100 96 3.1-3.4 2.1/516=56, 2.1/1194=55...(13) QG2 VAL 16 + H VAL 16 OK 80 83 100 97 3.2-3.4 1194=60, 2.1/516=56...(13) Violated in 0 structures by 0.00 A. Peak 519 from nnoeabs.peaks (8.01, 8.01, 118.34 ppm; diagonal): 2 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 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 521 from nnoeabs.peaks (1.84, 8.01, 118.34 ppm; 2.92 A): 1 out of 9 assignments used, quality = 0.99: * HB ILE 17 + H ILE 17 OK 99 100 100 99 2.6-2.7 1211=77, 2.1/522=49...(16) HB3 ARG 34 - H HIS 36 far 0 39 0 - 5.8-6.4 HG2 ARG 21 - H ILE 17 far 0 81 0 - 6.0-9.2 HB3 MET 11 - H ILE 17 far 0 100 0 - 6.3-8.3 HG LEU 41 - H ILE 17 far 0 60 0 - 7.1-8.8 HD2 LYS 22 - H HIS 36 far 0 42 0 - 7.1-9.5 HG LEU 41 - H HIS 36 far 0 27 0 - 8.1-10.0 HB2 ARG 61 - H ILE 17 far 0 65 0 - 9.1-25.4 HB2 LYS 62 - H ILE 17 far 0 97 0 - 9.3-29.0 Violated in 0 structures by 0.00 A. Peak 522 from nnoeabs.peaks (0.81, 8.01, 118.34 ppm; 3.38 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 17 + H ILE 17 OK 100 100 100 100 3.8-3.8 2.1/521=76, 4.0=61...(16) Violated in 20 structures by 0.39 A. Peak 523 from nnoeabs.peaks (1.08, 8.01, 118.34 ppm; 3.29 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 17 + H ILE 17 OK 100 100 100 100 1.9-3.5 1225=74, 1.8/524=72...(12) Violated in 2 structures by 0.02 A. Peak 524 from nnoeabs.peaks (1.38, 8.01, 118.34 ppm; 3.23 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 17 + H ILE 17 OK 100 100 100 100 1.9-3.4 1232=80, 1.8/523=68...(13) Violated in 6 structures by 0.02 A. Peak 525 from nnoeabs.peaks (0.70, 8.01, 118.34 ppm; 3.80 A): 3 out of 4 assignments used, quality = 1.00: * QD1 ILE 17 + H ILE 17 OK 100 100 100 100 2.8-3.6 2.1/524=82, 2.1/523=81...(15) HB2 LEU 19 + H ILE 17 OK 30 98 40 76 4.9-7.0 3680/28=39, 1210/3.0=18...(9) QD1 LEU 41 + H ILE 17 OK 24 85 50 56 4.5-5.8 3679/28=22, 38/869=14...(11) QD1 LEU 41 - H HIS 36 far 0 42 0 - 8.4-10.1 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HA GLU 18 + H GLU 18 OK 100 100 100 100 2.7-2.8 3.0=100 HA GLU 20 - H GLU 18 far 0 65 0 - 6.9-7.3 Violated in 0 structures by 0.00 A. Peak 528 from nnoeabs.peaks (2.00, 7.55, 119.23 ppm; 3.25 A): 2 out of 8 assignments used, quality = 1.00: * HB2 GLU 18 + H GLU 18 OK 98 100 100 98 2.2-2.7 3.9=56, 3.0/1264=37...(18) HB3 GLU 18 + H GLU 18 OK 97 100 100 97 3.5-3.6 3.9=56, 3.0/1264=37...(15) HB2 ARG 21 - H GLU 18 far 0 60 0 - 5.1-5.8 HD3 ARG 55 - H TYR 57 far 0 49 0 - 6.4-8.4 HB3 ARG 21 - H GLU 18 far 0 68 0 - 6.8-7.3 HB2 MET 11 - H GLU 18 far 0 100 0 - 6.8-8.9 HB3 GLN 63 - H TYR 57 far 0 76 0 - 8.1-18.6 HD3 ARG 55 - H GLU 18 far 0 73 0 - 9.6-11.0 Violated in 0 structures by 0.00 A. Peak 529 from nnoeabs.peaks (2.00, 7.55, 119.23 ppm; 3.25 A): 2 out of 8 assignments used, quality = 1.00: HB2 GLU 18 + H GLU 18 OK 98 100 100 98 2.2-2.7 3.9=56, 3.0/1264=37...(18) * HB3 GLU 18 + H GLU 18 OK 97 100 100 97 3.5-3.6 3.9=56, 3.0/1264=37...(15) HB2 ARG 21 - H GLU 18 far 0 60 0 - 5.1-5.8 HD3 ARG 55 - H TYR 57 far 0 49 0 - 6.4-8.4 HB3 ARG 21 - H GLU 18 far 0 68 0 - 6.8-7.3 HB2 MET 11 - H GLU 18 far 0 100 0 - 6.8-8.9 HB3 GLN 63 - H TYR 57 far 0 76 0 - 8.1-18.6 HD3 ARG 55 - H GLU 18 far 0 73 0 - 9.6-11.0 Violated in 0 structures by 0.00 A. Peak 530 from nnoeabs.peaks (2.28, 7.55, 119.23 ppm; 4.05 A): 2 out of 2 assignments used, quality = 1.00: * HG2 GLU 18 + H GLU 18 OK 100 100 100 100 2.0-3.8 1264=95, 1.8/531=66...(16) HG2 GLN 15 + H GLU 18 OK 24 78 45 69 4.6-6.6 3.8/3671=46, 3363/932=28...(5) Violated in 0 structures by 0.00 A. Peak 531 from nnoeabs.peaks (2.41, 7.55, 119.23 ppm; 3.55 A): 2 out of 6 assignments used, quality = 0.99: * HG3 GLU 18 + H GLU 18 OK 99 100 100 99 1.9-3.6 1.8/1264=57, 1270=54...(18) HG3 GLU 20 + H GLU 18 OK 32 90 45 78 4.6-6.2 544/942=23, 1270=20...(10) HD2 ARG 55 - H TYR 57 far 0 76 0 - 5.6-8.2 HB3 LYS 22 - H GLU 18 far 0 65 0 - 6.7-9.1 HG2 MET 11 - H GLU 18 far 0 81 0 - 7.5-11.4 HD2 ARG 55 - H GLU 18 far 0 100 0 - 9.2-12.3 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HA LEU 19 + H LEU 19 OK 100 100 100 100 2.7-2.9 2.9=100 HA VAL 48 - H LEU 19 far 0 97 0 - 7.3-8.5 HA ALA 38 - H LEU 19 far 0 65 0 - 7.9-8.8 Violated in 0 structures by 0.00 A. Peak 534 from nnoeabs.peaks (0.71, 7.98, 124.25 ppm; 3.35 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LEU 19 + H LEU 19 OK 98 100 100 98 2.1-3.6 4.0=58, 3.0/536=53...(13) QD1 LEU 41 + H LEU 19 OK 92 97 100 94 2.0-3.7 4438=36, 4816/537=33...(15) QD1 ILE 17 - H LEU 19 far 0 98 0 - 5.6-6.6 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-3.6 4.0=100 Violated in 0 structures by 0.00 A. Peak 536 from nnoeabs.peaks (1.24, 7.98, 124.25 ppm; 3.33 A): 1 out of 2 assignments used, quality = 0.99: * HG LEU 19 + H LEU 19 OK 99 100 100 99 2.0-3.1 1297=73, 2.1/537=49...(12) HB2 LEU 43 - H LEU 19 far 0 92 0 - 8.2-9.3 Violated in 0 structures by 0.00 A. Peak 537 from nnoeabs.peaks (0.53, 7.98, 124.25 ppm; 4.02 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 19 + H LEU 19 OK 100 100 100 100 3.5-4.1 1304=87, 2.1/536=86...(8) Violated in 4 structures by 0.01 A. Peak 538 from nnoeabs.peaks (-0.28, 7.98, 124.25 ppm; 4.08 A): 1 out of 3 assignments used, quality = 1.00: * QD1 LEU 19 + H LEU 19 OK 100 100 100 100 3.1-3.6 2.1/536=87, 2.1/537=73...(11) HG2 ARG 55 - H LEU 19 far 0 100 0 - 7.5-9.6 HB3 ARG 55 - H LEU 19 far 0 100 0 - 8.9-10.6 Violated in 0 structures by 0.00 A. 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): 2 out of 3 assignments used, quality = 1.00: * HA GLU 20 + H GLU 20 OK 100 100 100 100 2.8-2.9 3.0=100 HA GLU 18 + H GLU 20 OK 58 65 100 89 4.0-4.9 3.6/871=52, 3.0/942=36...(15) HA ARG 61 - H GLU 20 far 0 78 0 - 8.0-20.3 Violated in 0 structures by 0.00 A. Peak 541 from nnoeabs.peaks (2.16, 8.41, 118.68 ppm; 3.38 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 20 + H GLU 20 OK 100 100 100 100 2.6-3.6 1324=80, 1.8/542=68...(11) Violated in 8 structures by 0.08 A. Peak 542 from nnoeabs.peaks (2.04, 8.41, 118.68 ppm; 3.49 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLU 20 + H GLU 20 OK 100 100 100 100 2.5-3.6 1330=87, 1.8/541=75...(12) HB2 LYS 22 - H GLU 20 far 0 90 0 - 5.3-7.3 Violated in 12 structures by 0.06 A. Peak 543 from nnoeabs.peaks (2.46, 8.41, 118.68 ppm; 3.55 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLU 20 + H GLU 20 OK 100 100 100 100 2.1-3.2 1336=63, 3.0/541=57...(13) HG3 GLN 15 - H GLU 20 far 0 78 0 - 6.9-9.9 HG3 MET 11 - H GLU 20 far 0 81 0 - 8.1-11.8 Violated in 0 structures by 0.00 A. Peak 544 from nnoeabs.peaks (2.42, 8.41, 118.68 ppm; 3.64 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLU 20 + H GLU 20 OK 100 100 100 100 2.0-3.0 1342=66, 3.0/541=60...(15) HG3 GLU 18 - H GLU 20 far 0 90 0 - 5.9-7.5 HD2 ARG 55 - H GLU 20 far 0 90 0 - 5.9-9.1 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * HA ARG 21 + H ARG 21 OK 100 100 100 100 2.7-2.8 2.9=100 HA SER 24 - H ARG 21 far 0 99 0 - 6.9-7.5 HA LEU 37 - H ARG 21 far 0 97 0 - 8.8-10.2 HB THR 14 - H ARG 21 far 0 68 0 - 10.0-11.3 Violated in 0 structures by 0.00 A. Peak 547 from nnoeabs.peaks (1.97, 8.31, 121.06 ppm; 2.84 A): 2 out of 6 assignments used, quality = 1.00: * HB2 ARG 21 + H ARG 21 OK 96 100 100 96 2.1-2.7 4.0=35, 3.0/549=32...(18) HB3 ARG 21 + H ARG 21 OK 96 100 100 96 3.5-3.6 4.0=35, 3.0/549=32...(17) HB3 GLU 18 - H ARG 21 far 0 60 0 - 5.0-5.8 HD3 LYS 22 - H ARG 21 far 0 99 0 - 5.1-8.0 HB2 GLU 18 - H ARG 21 far 0 60 0 - 5.4-5.9 HD3 ARG 55 - H ARG 21 far 0 100 0 - 8.8-10.2 Violated in 0 structures by 0.00 A. Peak 548 from nnoeabs.peaks (1.97, 8.31, 121.06 ppm; 2.84 A): 2 out of 7 assignments used, quality = 1.00: HB2 ARG 21 + H ARG 21 OK 96 100 100 96 2.1-2.7 4.0=35, 3.0/549=32...(18) * HB3 ARG 21 + H ARG 21 OK 96 100 100 96 3.5-3.6 4.0=35, 3.0/549=32...(17) HB3 GLU 18 - H ARG 21 far 0 68 0 - 5.0-5.8 HD3 LYS 22 - H ARG 21 far 0 98 0 - 5.1-8.0 HB2 GLU 18 - H ARG 21 far 0 68 0 - 5.4-5.9 HB3 GLN 63 - H ARG 21 far 0 65 0 - 7.6-25.9 HD3 ARG 55 - H ARG 21 far 0 100 0 - 8.8-10.2 Violated in 0 structures by 0.00 A. Peak 549 from nnoeabs.peaks (1.86, 8.31, 121.06 ppm; 3.74 A): 1 out of 3 assignments used, quality = 1.00: * HG2 ARG 21 + H ARG 21 OK 100 100 100 100 2.1-3.7 1372=65, 1352/2.9=63...(18) HB ILE 17 - H ARG 21 far 0 81 0 - 5.4-6.1 HG LEU 41 - H ARG 21 far 0 99 0 - 7.3-9.4 Violated in 0 structures by 0.00 A. Peak 550 from nnoeabs.peaks (1.60, 8.31, 121.06 ppm; 4.35 A): 1 out of 6 assignments used, quality = 1.00: * HG3 ARG 21 + H ARG 21 OK 100 100 100 100 2.7-4.3 1.8/549=90, 4.7=79...(15) HG3 ARG 61 - H ARG 21 far 0 98 0 - 8.0-23.0 HB3 LEU 64 - H ARG 21 far 0 95 0 - 8.2-30.3 HG2 ARG 61 - H ARG 21 far 0 99 0 - 9.2-22.4 HB2 LEU 41 - H ARG 21 far 0 95 0 - 9.5-11.2 HB3 GLN 15 - H ARG 21 far 0 60 0 - 9.6-10.7 Violated in 0 structures by 0.00 A. Peak 551 from nnoeabs.peaks (3.20, 8.31, 121.06 ppm; 4.95 A): 1 out of 2 assignments used, quality = 1.00: * HD2 ARG 21 + H ARG 21 OK 100 100 100 100 2.7-4.9 2.9/549=87, 1354/2.9=80...(15) HA VAL 16 - H ARG 21 far 0 71 0 - 6.7-7.5 Violated in 0 structures by 0.00 A. Peak 552 from nnoeabs.peaks (3.23, 8.31, 121.06 ppm; 4.88 A): 1 out of 2 assignments used, quality = 1.00: * HD3 ARG 21 + H ARG 21 OK 100 100 100 100 2.5-4.8 2.9/549=86, 2.9/550=76...(15) HA VAL 16 - H ARG 21 far 0 98 0 - 6.7-7.5 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HA LYS 22 + H LYS 22 OK 100 100 100 100 2.7-2.9 2.9=100 HA LEU 41 - H LYS 22 far 0 97 0 - 9.6-10.8 Violated in 0 structures by 0.00 A. Peak 555 from nnoeabs.peaks (2.06, 8.03, 120.92 ppm; 3.28 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LYS 22 + H LYS 22 OK 100 100 100 100 2.1-3.6 1414=69, 1.8/556=65...(17) HB3 GLU 20 - H LYS 22 far 0 90 0 - 4.8-6.3 HB2 GLN 63 - H LYS 22 far 0 81 0 - 9.8-27.5 Violated in 5 structures by 0.06 A. Peak 556 from nnoeabs.peaks (2.38, 8.03, 120.92 ppm; 3.47 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LYS 22 + H LYS 22 OK 100 100 100 100 2.2-3.5 1.8/555=77, 4.0=64...(15) HG3 GLU 18 - H LYS 22 far 0 65 0 - 6.6-7.6 HD2 ARG 55 - H LYS 22 far 0 65 0 - 9.3-12.3 HG2 GLN 63 - H LYS 22 far 0 78 0 - 9.6-29.6 Violated in 1 structures by 0.00 A. Peak 557 from nnoeabs.peaks (1.71, 8.03, 120.92 ppm; 4.17 A): 1 out of 3 assignments used, quality = 1.00: * HG2 LYS 22 + H LYS 22 OK 100 100 100 100 3.3-4.5 2.9/555=77, 2.9/556=74...(16) HB3 LEU 37 - H LYS 22 far 0 87 0 - 6.7-7.9 HB3 ARG 61 - H LYS 22 far 0 95 0 - 9.9-23.5 Violated in 13 structures by 0.14 A. Peak 558 from nnoeabs.peaks (1.68, 8.03, 120.92 ppm; 4.13 A): 1 out of 4 assignments used, quality = 1.00: * HG3 LYS 22 + H LYS 22 OK 100 100 100 100 2.4-4.6 2.9/555=76, 2.9/556=73...(17) HB2 LEU 37 - H LYS 22 far 14 93 15 - 5.5-7.0 HD2 LYS 62 - H LYS 22 far 0 99 0 - 7.4-25.9 HD3 LYS 62 - H LYS 22 far 0 98 0 - 7.8-24.4 Violated in 12 structures by 0.21 A. Peak 559 from nnoeabs.peaks (1.82, 8.03, 120.92 ppm; 4.57 A): 1 out of 3 assignments used, quality = 1.00: * HD2 LYS 22 + H LYS 22 OK 100 100 100 100 2.5-4.7 1410/2.9=83, 3.5/555=78...(17) HB ILE 17 - H LYS 22 far 0 85 0 - 7.1-8.2 HB2 ARG 61 - H LYS 22 far 0 99 0 - 8.9-23.0 Violated in 4 structures by 0.01 A. Peak 560 from nnoeabs.peaks (1.96, 8.03, 120.92 ppm; 3.26 A): 3 out of 4 assignments used, quality = 1.00: HB2 ARG 21 + H LYS 22 OK 95 99 100 96 2.1-2.8 3392=39, 4.0/873=35...(15) HB3 ARG 21 + H LYS 22 OK 93 98 100 95 2.6-3.9 4.5=39, 4.0/873=35...(14) * HD3 LYS 22 + H LYS 22 OK 79 100 80 99 2.7-5.3 1465/2.9=46, 3.5/555=44...(16) HD3 ARG 55 - H LYS 22 far 0 97 0 - 9.5-11.1 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 565 from nnoeabs.peaks (3.15, 8.99, 121.58 ppm; 3.84 A): 1 out of 3 assignments used, quality = 1.00: * HB2 PHE 23 + H PHE 23 OK 100 100 100 100 2.2-2.6 1500=98, 1.8/566=77...(8) HD2 ARG 61 - H PHE 23 far 0 95 0 - 7.9-22.6 HD3 ARG 61 - H PHE 23 far 0 95 0 - 8.4-21.9 Violated in 0 structures by 0.00 A. Peak 566 from nnoeabs.peaks (3.08, 8.99, 121.58 ppm; 3.75 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 23 + H PHE 23 OK 100 100 100 100 2.5-2.9 1506=95, 1.8/565=72...(8) Violated in 0 structures by 0.00 A. Peak 567 from nnoeabs.peaks (7.18, 8.99, 121.58 ppm; 4.70 A): 2 out of 2 assignments used, quality = 1.00: HZ PHE 52 + H PHE 23 OK 100 100 100 100 2.8-4.1 4638/3.0=56, 4142/69=56...(11) * QE PHE 23 + H PHE 23 OK 64 100 65 99 6.0-6.2 2.2/4633=84, 4.4/566=61...(5) Violated in 0 structures by 0.00 A. 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 100 100 100 100 4.0-4.2 4.6=100 Violated in 0 structures by 0.00 A. 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): 2 out of 4 assignments used, quality = 1.00: * HA SER 24 + H SER 24 OK 100 100 100 100 2.7-2.9 3.0=100 HA ARG 21 + H SER 24 OK 85 99 100 86 3.4-3.8 3713=51, 3.6/962=40...(8) HA ARG 56 - H SER 24 far 0 100 0 - 9.2-10.8 HA LEU 37 - H SER 24 far 0 87 0 - 9.8-11.5 Violated in 0 structures by 0.00 A. Peak 571 from nnoeabs.peaks (3.97, 8.13, 111.74 ppm; 3.14 A): 2 out of 3 assignments used, quality = 0.99: * HB2 SER 24 + H SER 24 OK 91 100 100 91 2.3-3.0 4.0=47, 1.8/1532=33...(11) HB3 SER 24 + H SER 24 OK 91 100 100 91 2.2-3.6 4.0=47, 1.8/1528=33...(11) HB2 SER 66 - H SER 24 far 0 65 0 - 8.7-24.8 Violated in 0 structures by 0.00 A. Peak 572 from nnoeabs.peaks (3.97, 8.13, 111.74 ppm; 3.14 A): 2 out of 3 assignments used, quality = 0.99: * HB3 SER 24 + H SER 24 OK 91 100 100 91 2.2-3.6 4.0=47, 1.8/1528=33...(11) HB2 SER 24 + H SER 24 OK 91 100 100 91 2.3-3.0 4.0=47, 1.8/1532=33...(11) HB2 SER 66 - H SER 24 far 0 60 0 - 8.7-24.8 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HA HIS 25 + H HIS 25 OK 100 100 100 100 2.8-2.9 2.9=100 HA TYR 28 - H HIS 25 far 0 83 0 - 8.4-9.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-3.6 3.9=100 Violated in 0 structures by 0.00 A. Peak 576 from nnoeabs.peaks (3.31, 7.63, 118.44 ppm; 3.79 A): 1 out of 1 assignment used, quality = 0.97: * HB3 HIS 25 + H HIS 25 OK 97 100 100 97 2.2-3.6 3.9=91, 89/877=49...(5) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 580 from nnoeabs.peaks (2.02, 8.51, 121.11 ppm; 3.60 A): 2 out of 4 assignments used, quality = 1.00: HB3 GLN 26 + H GLN 26 OK 97 100 100 97 3.3-3.8 3.9=78, 4187/3.6=28...(13) * HB2 GLN 26 + H GLN 26 OK 96 100 100 96 2.9-4.1 3.9=78, 3.0/582=26...(13) HB3 ARG 56 - H GLN 26 far 0 93 0 - 7.8-12.0 HB3 GLU 20 - H GLN 26 far 0 87 0 - 8.9-9.8 Violated in 0 structures by 0.00 A. Peak 581 from nnoeabs.peaks (2.02, 8.51, 121.11 ppm; 3.60 A): 2 out of 4 assignments used, quality = 1.00: * HB3 GLN 26 + H GLN 26 OK 97 100 100 97 3.3-3.8 3.9=78, 4187/3.6=28...(13) HB2 GLN 26 + H GLN 26 OK 96 100 100 96 2.9-4.1 3.9=78, 3.0/582=26...(13) HB3 ARG 56 - H GLN 26 far 0 93 0 - 7.8-12.0 HB3 GLU 20 - H GLN 26 far 0 87 0 - 8.9-9.8 Violated in 0 structures by 0.00 A. Peak 582 from nnoeabs.peaks (2.29, 8.51, 121.11 ppm; 3.77 A): 2 out of 4 assignments used, quality = 1.00: * HG2 GLN 26 + H GLN 26 OK 97 100 100 97 2.7-5.0 4.9=45, 3.0/581=30...(15) HG3 GLN 26 + H GLN 26 OK 96 100 100 96 3.7-4.3 4.9=45, 3.0/580=30...(14) HG2 GLU 67 - H GLN 26 far 0 99 0 - 6.5-28.2 HB3 GLU 33 - H GLN 26 far 0 60 0 - 7.3-9.2 Violated in 5 structures by 0.04 A. Peak 583 from nnoeabs.peaks (2.29, 8.51, 121.11 ppm; 3.77 A): 2 out of 4 assignments used, quality = 1.00: HG2 GLN 26 + H GLN 26 OK 97 100 100 97 2.7-5.0 4.9=45, 3.0/581=30...(15) * HG3 GLN 26 + H GLN 26 OK 96 100 100 96 3.7-4.3 4.9=45, 3.0/580=30...(14) HG2 GLU 67 - H GLN 26 far 0 98 0 - 6.5-28.2 HB3 GLU 33 - H GLN 26 far 0 63 0 - 7.3-9.2 Violated in 5 structures by 0.04 A. 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 2 assignments used, quality = 1.00: * HA LYS 27 + H LYS 27 OK 100 100 100 100 2.8-2.9 3.0=100 HB2 SER 65 - H LYS 27 far 0 63 0 - 9.8-26.1 Violated in 0 structures by 0.00 A. Peak 588 from nnoeabs.peaks (1.42, 8.12, 119.98 ppm; 3.75 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LYS 27 + H LYS 27 OK 100 100 100 100 3.6-3.6 4.0=85, 1.8/589=85...(8) HG2 LYS 60 - H LYS 27 far 0 99 0 - 8.0-19.0 HG3 LYS 60 - H LYS 27 far 0 98 0 - 9.0-17.6 HG3 LYS 62 - H LYS 27 far 0 92 0 - 9.0-21.3 HG3 LYS 49 - H LYS 27 far 0 83 0 - 9.1-14.0 Violated in 0 structures by 0.00 A. Peak 589 from nnoeabs.peaks (1.56, 8.12, 119.98 ppm; 3.32 A): 1 out of 1 assignment used, quality = 0.99: * HB3 LYS 27 + H LYS 27 OK 99 100 100 99 2.3-2.8 1616=61, 1.8/588=59...(11) Violated in 0 structures by 0.00 A. Peak 590 from nnoeabs.peaks (0.63, 8.12, 119.98 ppm; 3.80 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 27 + H LYS 27 OK 100 100 100 100 1.9-3.8 1.8/591=83, 3.0/589=66...(10) HB2 ARG 55 - H LYS 27 far 0 87 0 - 8.6-11.5 Violated in 1 structures by 0.00 A. Peak 591 from nnoeabs.peaks (1.16, 8.12, 119.98 ppm; 3.43 A): 1 out of 1 assignment used, quality = 0.99: * HG3 LYS 27 + H LYS 27 OK 99 100 100 99 2.1-3.5 1.8/590=61, 3.0/589=55...(11) Violated in 13 structures by 0.03 A. Peak 592 from nnoeabs.peaks (1.23, 8.12, 119.98 ppm; 4.47 A): 1 out of 2 assignments used, quality = 1.00: * HD2 LYS 27 + H LYS 27 OK 100 100 100 100 3.0-4.5 2.9/591=82, 2.9/590=76...(9) HB2 LEU 29 - H LYS 27 far 0 96 0 - 8.2-8.9 Violated in 4 structures by 0.00 A. Peak 593 from nnoeabs.peaks (1.33, 8.12, 119.98 ppm; 4.87 A): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 27 + H LYS 27 OK 100 100 100 100 2.8-4.7 2.9/591=90, 1.8/592=88...(10) Violated in 0 structures by 0.00 A. Peak 596 from nnoeabs.peaks (7.50, 7.50, 113.08 ppm; diagonal): 2 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 2 assignments used, quality = 1.00: * HA TYR 28 + H TYR 28 OK 100 100 100 100 2.9-2.9 3.0=100 HA HIS 25 - H TYR 28 far 0 83 0 - 7.9-9.3 Violated in 0 structures by 0.00 A. Peak 598 from nnoeabs.peaks (2.95, 7.50, 113.08 ppm; 4.50 A): 1 out of 2 assignments used, quality = 1.00: * HB2 TYR 28 + H TYR 28 OK 100 100 100 100 3.6-3.9 3.9=100 HE3 LYS 22 - H TYR 28 far 0 100 0 - 7.7-11.9 Violated in 0 structures by 0.00 A. Peak 601 from nnoeabs.peaks (7.13, 7.50, 113.08 ppm; 4.26 A): 1 out of 3 assignments used, quality = 1.00: * QD TYR 28 + H TYR 28 OK 100 100 100 100 2.0-3.1 4662=97, 1691/3.0=73...(5) HD1 TRP 51 - HD21 ASN 54 far 2 46 5 - 5.5-6.8 QD TYR 57 - HD21 ASN 54 far 0 41 0 - 6.5-8.4 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HA LEU 29 + H LEU 29 OK 100 100 100 100 2.8-2.9 2.9=100 HA SER 30 - H LEU 29 poor 15 57 35 73 5.3-5.7 ~3438=30, ~116=19...(8) Violated in 0 structures by 0.00 A. Peak 604 from nnoeabs.peaks (1.24, 8.50, 122.84 ppm; 4.19 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LEU 29 + H LEU 29 OK 100 100 100 100 3.5-3.6 4.0=100 HD2 LYS 27 - H LEU 29 far 0 96 0 - 7.9-9.8 Violated in 0 structures by 0.00 A. Peak 605 from nnoeabs.peaks (1.46, 8.50, 122.84 ppm; 3.56 A): 1 out of 3 assignments used, quality = 0.97: * HB3 LEU 29 + H LEU 29 OK 97 100 100 97 2.2-2.5 4.0=69, 3.0/606=45...(9) HG3 ARG 56 - H LEU 29 far 0 99 0 - 7.7-10.1 QB ALA 35 - H LEU 29 far 0 71 0 - 8.6-9.5 Violated in 0 structures by 0.00 A. Peak 606 from nnoeabs.peaks (0.74, 8.50, 122.84 ppm; 4.14 A): 1 out of 3 assignments used, quality = 0.99: * HG LEU 29 + H LEU 29 OK 99 100 100 99 2.3-3.0 3.0/605=71, 2.1/608=64...(6) QD1 LEU 41 - H LEU 29 far 0 78 0 - 9.0-12.4 QD2 LEU 41 - H LEU 29 far 0 99 0 - 9.9-11.8 Violated in 0 structures by 0.00 A. Peak 607 from nnoeabs.peaks (0.15, 8.50, 122.84 ppm; 4.65 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 29 + H LEU 29 OK 100 100 100 100 3.1-3.9 4.8=92, 2.1/606=85...(10) Violated in 0 structures by 0.00 A. Peak 608 from nnoeabs.peaks (0.46, 8.50, 122.84 ppm; 4.46 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 29 + H LEU 29 OK 100 100 100 100 3.4-4.0 1722/2.9=84, 4.8=81...(12) Violated in 0 structures by 0.00 A. 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): 2 out of 2 assignments used, quality = 1.00: * HA SER 30 + H SER 30 OK 100 100 100 100 2.8-2.9 3.0=100 HA LEU 29 + H SER 30 OK 54 57 100 94 2.2-2.6 3.6=72, 3.0/117=39...(8) Violated in 0 structures by 0.00 A. Peak 611 from nnoeabs.peaks (4.01, 8.98, 118.86 ppm; 3.80 A): 1 out of 2 assignments used, quality = 0.95: * HB2 SER 30 + H SER 30 OK 95 100 100 95 2.5-3.8 4.0=87, 124/4.6=33...(5) HA ALA 35 - H SER 30 far 0 60 0 - 8.0-9.8 Violated in 0 structures by 0.00 A. Peak 612 from nnoeabs.peaks (4.22, 8.98, 118.86 ppm; 4.31 A): 2 out of 2 assignments used, quality = 1.00: * HB3 SER 30 + H SER 30 OK 100 100 100 100 2.4-3.6 4.0=100 HA ALA 31 + H SER 30 OK 49 95 60 86 5.0-5.9 3720/4259=37, ~4282=36...(6) Violated in 0 structures by 0.00 A. 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): 2 out of 2 assignments used, quality = 1.00: * HA ALA 31 + H ALA 31 OK 100 100 100 100 2.7-2.9 3.0=100 HB3 SER 30 + H ALA 31 OK 92 95 100 98 2.0-3.5 4.4=60, 1.8/124=57...(8) Violated in 0 structures by 0.00 A. Peak 615 from nnoeabs.peaks (1.56, 9.18, 123.12 ppm; 3.40 A): 1 out of 4 assignments used, quality = 1.00: * QB ALA 31 + H ALA 31 OK 100 100 100 100 2.0-2.8 2.9=100 HG3 ARG 34 - H ALA 31 far 0 63 0 - 7.2-8.3 HG2 LYS 49 - H ALA 31 far 0 95 0 - 9.7-13.0 HG LEU 37 - H ALA 31 far 0 100 0 - 9.7-12.7 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HA GLU 33 + H GLU 33 OK 100 100 100 100 2.7-2.8 3.0=100 HA LEU 37 - H GLU 33 far 0 96 0 - 8.7-9.4 Violated in 0 structures by 0.00 A. Peak 618 from nnoeabs.peaks (1.88, 7.21, 117.78 ppm; 3.89 A): 2 out of 2 assignments used, quality = 1.00: * HB2 GLU 33 + H GLU 33 OK 100 100 100 100 2.6-3.6 4.0=93, 1827/3.0=75...(14) HB3 ARG 34 + H GLU 33 OK 62 73 100 84 4.9-5.2 3.9/133=54, 4.3/979=35...(7) Violated in 0 structures by 0.00 A. Peak 619 from nnoeabs.peaks (2.32, 7.21, 117.78 ppm; 3.18 A): 3 out of 5 assignments used, quality = 1.00: * HB3 GLU 33 + H GLU 33 OK 98 100 100 98 2.1-3.6 4.0=50, 3.0/1843=37...(21) HG2 GLU 33 + H GLU 33 OK 97 99 100 97 2.3-4.1 1843=50, 1.8/621=46...(14) HB3 PRO 32 + H GLU 33 OK 94 98 100 96 2.9-4.0 3.6=67, 2.3/130=34...(11) HG2 GLN 26 - H GLU 33 far 0 60 0 - 8.2-11.1 HG3 GLN 26 - H GLU 33 far 0 63 0 - 8.2-10.5 Violated in 0 structures by 0.00 A. Peak 620 from nnoeabs.peaks (2.32, 7.21, 117.78 ppm; 3.18 A): 3 out of 3 assignments used, quality = 1.00: HB3 GLU 33 + H GLU 33 OK 98 99 100 98 2.1-3.6 4.0=50, 3.0/1843=37...(21) * HG2 GLU 33 + H GLU 33 OK 97 100 100 97 2.3-4.1 1843=50, 1.8/621=46...(14) HB3 PRO 32 + H GLU 33 OK 88 92 100 96 2.9-4.0 3.6=67, 2.3/130=34...(11) Violated in 0 structures by 0.00 A. Peak 621 from nnoeabs.peaks (2.23, 7.21, 117.78 ppm; 4.01 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 33 + H GLU 33 OK 100 100 100 100 1.9-4.1 1849=92, 1.8/1843=76...(13) Violated in 2 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HA ARG 34 + H ARG 34 OK 100 100 100 100 2.7-2.9 2.9=100 HD3 PRO 32 - H ARG 34 far 5 97 5 - 4.5-6.0 Violated in 0 structures by 0.00 A. Peak 624 from nnoeabs.peaks (1.94, 8.73, 121.67 ppm; 3.17 A): 1 out of 3 assignments used, quality = 0.99: * HB2 ARG 34 + H ARG 34 OK 99 100 100 99 2.6-3.0 1863=67, 1.8/1871=53...(14) HD3 LYS 22 - H ARG 34 far 0 78 0 - 5.6-9.5 HB3 LYS 39 - H ARG 34 far 0 93 0 - 8.5-9.1 Violated in 0 structures by 0.00 A. Peak 625 from nnoeabs.peaks (1.86, 8.73, 121.67 ppm; 3.28 A): 2 out of 4 assignments used, quality = 1.00: * HB3 ARG 34 + H ARG 34 OK 99 100 100 99 2.2-2.5 1.8/624=73, 1871=66...(16) HB2 GLU 33 + H ARG 34 OK 71 73 100 97 2.4-3.9 4.0/133=37, 1.8/136=37...(13) HB3 LYS 49 - H ARG 34 far 0 78 0 - 8.4-10.2 HG LEU 41 - H ARG 34 far 0 99 0 - 9.3-11.3 Violated in 0 structures by 0.00 A. Peak 626 from nnoeabs.peaks (1.34, 8.73, 121.67 ppm; 4.46 A): 2 out of 2 assignments used, quality = 1.00: * HG2 ARG 34 + H ARG 34 OK 100 100 100 100 4.5-4.6 3.0/624=86, 3.0/1871=76...(11) QB ALA 38 + H ARG 34 OK 29 100 30 97 5.8-6.5 4412/2.9=57, ~996=34...(10) Violated in 5 structures by 0.00 A. Peak 627 from nnoeabs.peaks (1.59, 8.73, 121.67 ppm; 3.89 A): 2 out of 4 assignments used, quality = 1.00: * HG3 ARG 34 + H ARG 34 OK 100 100 100 100 4.1-4.4 3.0/624=72, 3.0/1871=61...(13) QB ALA 31 + H ARG 34 OK 55 63 100 88 4.8-5.3 2.1/3720=55, 4.5/3726=28...(9) HG LEU 37 - H ARG 34 far 0 68 0 - 6.6-8.2 HG2 LYS 49 - H ARG 34 far 0 92 0 - 9.1-12.3 Violated in 20 structures by 0.14 A. 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 2 assignments used, quality = 1.00: * HA ALA 35 + H ALA 35 OK 100 100 100 100 2.8-2.8 3.0=100 HB2 SER 30 - H ALA 35 far 0 60 0 - 6.0-8.5 Violated in 0 structures by 0.00 A. Peak 632 from nnoeabs.peaks (1.49, 8.15, 120.97 ppm; 2.63 A): 1 out of 2 assignments used, quality = 0.96: * QB ALA 35 + H ALA 35 OK 96 100 100 96 2.0-2.2 1914=85, 149/147=32...(12) HB3 LEU 29 - H ALA 35 far 0 71 0 - 5.3-6.4 Violated in 0 structures by 0.00 A. Peak 633 from nnoeabs.peaks (7.99, 7.99, 118.30 ppm; diagonal): 2 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 3 assignments used, quality = 1.00: * HA HIS 36 + H HIS 36 OK 100 100 100 100 2.7-2.8 3.0=100 HA LEU 41 - H ILE 17 far 0 36 0 - 8.0-9.2 HA GLN 63 - H ILE 17 far 0 56 0 - 9.6-30.1 Violated in 0 structures by 0.00 A. Peak 635 from nnoeabs.peaks (3.19, 7.99, 118.30 ppm; 2.70 A): 2 out of 5 assignments used, quality = 0.94: * HB2 HIS 36 + H HIS 36 OK 77 100 100 77 2.1-2.2 1922=35, 1.8/1927=27...(9) HB3 HIS 36 + H HIS 36 OK 74 100 100 74 3.0-3.5 1922=34, 1.8/1922=27...(9) HB2 HIS 13 - H ILE 17 far 0 33 0 - 5.9-6.5 HD2 ARG 21 - H ILE 17 far 0 49 0 - 6.1-9.4 HB2 HIS 10 - H ILE 17 far 0 48 0 - 8.4-13.4 Violated in 0 structures by 0.00 A. Peak 636 from nnoeabs.peaks (3.19, 7.99, 118.30 ppm; 2.70 A): 2 out of 5 assignments used, quality = 0.94: HB2 HIS 36 + H HIS 36 OK 77 100 100 77 2.1-2.2 1927=35, 1.8/1927=27...(9) * HB3 HIS 36 + H HIS 36 OK 74 100 100 74 3.0-3.5 1927=34, 1.8/1922=27...(9) HB2 HIS 13 - H ILE 17 far 0 35 0 - 5.9-6.5 HD2 ARG 21 - H ILE 17 far 0 50 0 - 6.1-9.4 HB2 HIS 10 - H ILE 17 far 0 49 0 - 8.4-13.4 Violated in 0 structures by 0.00 A. 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): 2 out of 3 assignments used, quality = 1.00: * HA LEU 37 + H LEU 37 OK 100 100 100 100 2.8-2.9 3.0=100 HA GLU 33 + H LEU 37 OK 60 95 85 75 4.2-5.1 985/886=37, 3737=31...(5) HA LYS 39 - H LEU 37 far 0 76 0 - 6.6-7.0 Violated in 0 structures by 0.00 A. Peak 640 from nnoeabs.peaks (1.66, 8.07, 120.69 ppm; 3.02 A): 1 out of 3 assignments used, quality = 0.99: * HB2 LEU 37 + H LEU 37 OK 99 100 100 99 2.1-3.4 1944=70, 1.8/641=67...(15) HG3 LYS 22 - H LEU 37 poor 12 93 25 53 4.3-7.2 4154/643=18, 1953/641=14...(7) HD3 LYS 42 - H LEU 37 far 0 100 0 - 9.7-11.4 Violated in 1 structures by 0.02 A. Peak 641 from nnoeabs.peaks (1.73, 8.07, 120.69 ppm; 3.03 A): 1 out of 3 assignments used, quality = 0.99: * HB3 LEU 37 + H LEU 37 OK 99 100 100 99 2.1-3.4 1951=69, 1.8/640=61...(15) HG2 LYS 22 - H LEU 37 far 4 87 5 - 4.2-7.1 HD2 LYS 42 - H LEU 37 far 0 96 0 - 9.7-11.9 Violated in 1 structures by 0.02 A. Peak 642 from nnoeabs.peaks (1.56, 8.07, 120.69 ppm; 3.93 A): 2 out of 4 assignments used, quality = 1.00: * HG LEU 37 + H LEU 37 OK 100 100 100 100 4.2-4.6 3.0/641=75, 2.1/643=71...(14) HG3 LYS 39 + H LEU 37 OK 69 92 90 83 4.6-6.0 4368/3.6=48, 653/992=33...(6) HG3 ARG 34 - H LEU 37 poor 17 68 25 - 5.1-6.0 QB ALA 31 - H LEU 37 far 0 100 0 - 8.2-8.7 Violated in 18 structures by 0.19 A. Peak 643 from nnoeabs.peaks (0.92, 8.07, 120.69 ppm; 3.90 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 37 + H LEU 37 OK 100 100 100 100 2.3-4.3 3.1/641=71, 1942/3.0=66...(16) Violated in 18 structures by 0.23 A. Peak 644 from nnoeabs.peaks (0.96, 8.07, 120.69 ppm; 3.87 A): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 37 + H LEU 37 OK 100 100 100 100 3.9-4.2 1973/3.0=75, 3.1/641=70...(16) QG2 VAL 48 + H LEU 37 OK 76 97 90 87 4.5-5.7 1957/641=29, 161/887=29...(11) Violated in 11 structures by 0.03 A. 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 4 assignments used, quality = 1.00: * HA ALA 38 + H ALA 38 OK 100 100 100 100 2.7-2.8 2.9=100 HA GLU 45 - H ALA 38 far 6 60 10 - 4.4-5.7 HA VAL 48 - H ALA 38 far 0 90 0 - 6.3-7.5 HA LEU 19 - H ALA 38 far 0 65 0 - 7.1-8.0 Violated in 0 structures by 0.00 A. Peak 647 from nnoeabs.peaks (1.34, 8.44, 119.33 ppm; 2.78 A): 2 out of 4 assignments used, quality = 0.99: * QB ALA 38 + H ALA 38 OK 98 100 100 98 2.0-2.2 1982=87, 164/888=38...(13) HG2 ARG 34 + H ALA 38 OK 37 100 60 62 3.8-4.9 4.0/996=19, 3747/995=12...(11) HG2 LYS 42 - H ALA 38 far 0 97 0 - 8.7-10.9 HG3 LYS 42 - H ALA 38 far 0 97 0 - 9.3-10.7 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HA LYS 39 + H LYS 39 OK 100 100 100 100 2.8-2.8 3.0=100 HA LEU 37 - H LYS 39 far 8 78 10 - 4.4-5.0 HA GLU 33 - H LYS 39 far 0 97 0 - 8.0-8.5 Violated in 0 structures by 0.00 A. Peak 650 from nnoeabs.peaks (1.92, 7.67, 116.42 ppm; 2.63 A): 2 out of 3 assignments used, quality = 1.00: HB3 LYS 39 + H LYS 39 OK 94 100 100 94 2.1-2.2 2005=37, 1.8/1995=27...(16) * HB2 LYS 39 + H LYS 39 OK 92 100 100 92 3.1-3.5 1995=37, 1.8/2005=28...(15) HB2 ARG 34 - H LYS 39 far 0 90 0 - 6.7-7.4 Violated in 0 structures by 0.00 A. Peak 651 from nnoeabs.peaks (1.92, 7.67, 116.42 ppm; 2.63 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LYS 39 + H LYS 39 OK 94 100 100 94 2.1-2.2 2005=37, 1.8/1995=27...(16) HB2 LYS 39 + H LYS 39 OK 92 100 100 92 3.1-3.5 1995=37, 1.8/2005=28...(15) HB2 ARG 34 - H LYS 39 far 0 93 0 - 6.7-7.4 Violated in 0 structures by 0.00 A. Peak 652 from nnoeabs.peaks (1.43, 7.67, 116.42 ppm; 4.11 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 39 + H LYS 39 OK 100 100 100 100 4.0-4.4 2015=87, 1.8/653=83...(20) HB3 LEU 41 - H LYS 39 far 0 100 0 - 5.6-7.4 Violated in 14 structures by 0.06 A. Peak 653 from nnoeabs.peaks (1.54, 7.67, 116.42 ppm; 3.82 A): 1 out of 3 assignments used, quality = 1.00: * HG3 LYS 39 + H LYS 39 OK 100 100 100 100 2.9-3.8 2025=72, 1.8/652=67...(19) HG LEU 37 - H LYS 39 far 0 92 0 - 5.3-7.2 QB ALA 31 - H LYS 39 far 0 95 0 - 9.3-10.2 Violated in 0 structures by 0.00 A. Peak 654 from nnoeabs.peaks (1.69, 7.67, 116.42 ppm; 4.18 A): 2 out of 5 assignments used, quality = 1.00: HD3 LYS 39 + H LYS 39 OK 100 100 100 100 4.4-4.6 3.0/653=68, 3.0/652=63...(20) * HD2 LYS 39 + H LYS 39 OK 95 100 95 100 3.7-5.7 3.0/653=68, 3.0/652=63...(20) HD2 LYS 42 - H LYS 39 far 0 68 0 - 6.3-9.1 HG2 LYS 22 - H LYS 39 far 0 83 0 - 7.8-10.7 HG3 LYS 22 - H LYS 39 far 0 90 0 - 7.8-10.9 Violated in 2 structures by 0.02 A. Peak 655 from nnoeabs.peaks (1.69, 7.67, 116.42 ppm; 4.18 A): 2 out of 5 assignments used, quality = 1.00: * HD3 LYS 39 + H LYS 39 OK 100 100 100 100 4.4-4.6 3.0/653=68, 3.0/652=63...(20) HD2 LYS 39 + H LYS 39 OK 95 100 95 100 3.7-5.7 3.0/653=68, 3.0/652=63...(20) HD2 LYS 42 - H LYS 39 far 0 68 0 - 6.3-9.1 HG2 LYS 22 - H LYS 39 far 0 83 0 - 7.8-10.7 HG3 LYS 22 - H LYS 39 far 0 90 0 - 7.8-10.9 Violated in 2 structures by 0.02 A. 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 2 assignments used, quality = 1.00: * HA ASN 40 + H ASN 40 OK 100 100 100 100 2.8-2.9 3.0=100 HA PRO 32 - H ASN 40 far 0 98 0 - 9.5-10.4 Violated in 0 structures by 0.00 A. Peak 660 from nnoeabs.peaks (2.76, 8.02, 117.69 ppm; 2.93 A): 1 out of 1 assignment used, quality = 0.97: * HB2 ASN 40 + H ASN 40 OK 97 100 100 97 2.1-2.1 2081=58, 1.8/2087=57...(11) Violated in 0 structures by 0.00 A. Peak 661 from nnoeabs.peaks (2.70, 8.02, 117.69 ppm; 3.28 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 40 + H ASN 40 OK 100 100 100 100 3.3-3.5 2087=100, 1.8/660=80...(9) Violated in 20 structures by 0.12 A. Peak 662 from nnoeabs.peaks (7.29, 8.02, 117.69 ppm; 4.63 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 40 + H ASN 40 OK 100 100 100 100 2.6-3.8 379=100, 3.5/660=84...(6) Violated in 0 structures by 0.00 A. Peak 663 from nnoeabs.peaks (6.52, 8.02, 117.69 ppm; 4.86 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 40 + H ASN 40 OK 100 100 100 100 4.2-4.7 385=100, 1.7/379=90...(5) Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HA LEU 41 + H LEU 41 OK 100 100 100 100 2.9-2.9 3.0=100 HA HIS 36 - H LEU 41 far 0 76 0 - 6.6-6.9 HA LYS 22 - H LEU 41 far 0 97 0 - 10.0-11.9 Violated in 0 structures by 0.00 A. Peak 666 from nnoeabs.peaks (1.62, 8.06, 116.05 ppm; 3.35 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LEU 41 + H LEU 41 OK 100 100 100 100 2.4-3.6 2100=88, 1.8/2107=58...(13) HB3 GLN 15 - H LEU 41 far 0 90 0 - 5.8-8.9 HB3 LEU 43 - H LEU 41 far 0 93 0 - 6.0-6.9 Violated in 3 structures by 0.04 A. Peak 667 from nnoeabs.peaks (1.43, 8.06, 116.05 ppm; 3.83 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LEU 41 + H LEU 41 OK 100 100 100 100 2.3-3.6 2107=100, 1.8/666=86...(14) HG2 LYS 39 + H LEU 41 OK 63 100 70 90 4.9-5.6 169/890=54, 4423/3489=44...(5) Violated in 0 structures by 0.00 A. Peak 668 from nnoeabs.peaks (1.87, 8.06, 116.05 ppm; 3.45 A): 1 out of 2 assignments used, quality = 1.00: * HG LEU 41 + H LEU 41 OK 100 100 100 100 2.5-3.7 2114=80, 2.1/670=59...(16) HB2 LYS 42 - H LEU 41 far 0 76 0 - 6.3-6.5 Violated in 9 structures by 0.09 A. Peak 669 from nnoeabs.peaks (0.75, 8.06, 116.05 ppm; 3.80 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 41 + H LEU 41 OK 100 100 100 100 2.0-2.6 2121=84, 2.1/668=77...(17) Violated in 0 structures by 0.00 A. Peak 670 from nnoeabs.peaks (0.72, 8.06, 116.05 ppm; 3.74 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 41 + H LEU 41 OK 100 100 100 100 4.0-4.3 2.1/668=75, 2099/3.0=71...(20) HB2 LEU 19 - H LEU 41 far 0 97 0 - 7.9-10.2 Violated in 20 structures by 0.35 A. 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 2 assignments used, quality = 0.97: * HA LYS 42 + H LYS 42 OK 97 100 100 97 2.3-2.3 3.0=83, 189/892=36...(10) HA ALA 35 - H LYS 42 far 0 100 0 - 7.8-8.8 Violated in 0 structures by 0.00 A. Peak 673 from nnoeabs.peaks (1.89, 7.90, 117.73 ppm; 3.94 A): 2 out of 2 assignments used, quality = 1.00: * HB2 LYS 42 + H LYS 42 OK 100 100 100 100 3.9-4.1 4.0=98, 3.0/672=79...(13) HG LEU 41 + H LYS 42 OK 40 76 55 97 4.5-5.7 2.1/186=55, 3.0/183=54...(7) Violated in 1 structures by 0.00 A. Peak 674 from nnoeabs.peaks (2.15, 7.90, 117.73 ppm; 4.26 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LYS 42 + H LYS 42 OK 100 100 100 100 3.5-3.7 4.0=100 HB VAL 48 - H LYS 42 far 0 97 0 - 8.5-10.4 Violated in 0 structures by 0.00 A. Peak 675 from nnoeabs.peaks (1.35, 7.90, 117.73 ppm; 3.40 A): 3 out of 4 assignments used, quality = 1.00: * HG2 LYS 42 + H LYS 42 OK 99 100 100 99 2.8-4.6 3.9/672=47, 3.0/678=36...(18) HG3 LYS 42 + H LYS 42 OK 99 100 100 99 3.0-4.5 3.9/672=47, 3.0/678=36...(17) QB ALA 38 + H LYS 42 OK 36 97 55 68 4.6-5.1 4394/892=33...(6) HG2 ARG 34 - H LYS 42 far 0 95 0 - 9.1-10.8 Violated in 0 structures by 0.00 A. Peak 676 from nnoeabs.peaks (1.35, 7.90, 117.73 ppm; 3.40 A): 3 out of 4 assignments used, quality = 1.00: HG2 LYS 42 + H LYS 42 OK 99 100 100 99 2.8-4.6 3.9/672=47, 3.0/678=36...(18) * HG3 LYS 42 + H LYS 42 OK 99 100 100 99 3.0-4.5 3.9/672=47, 3.0/678=36...(17) QB ALA 38 + H LYS 42 OK 36 97 55 68 4.6-5.1 4394/892=33...(6) HG2 ARG 34 - H LYS 42 far 0 95 0 - 9.1-10.8 Violated in 0 structures by 0.00 A. Peak 677 from nnoeabs.peaks (1.72, 7.90, 117.73 ppm; 4.58 A): 1 out of 5 assignments used, quality = 1.00: * HD2 LYS 42 + H LYS 42 OK 100 100 100 100 2.3-4.5 1.8/678=81, 2141/672=70...(17) HB3 LEU 37 - H LYS 42 far 0 96 0 - 6.7-8.1 HD2 LYS 39 - H LYS 42 far 0 68 0 - 7.2-7.5 HD3 LYS 39 - H LYS 42 far 0 68 0 - 7.3-7.6 HG2 LYS 22 - H LYS 42 far 0 99 0 - 9.0-12.9 Violated in 0 structures by 0.00 A. Peak 678 from nnoeabs.peaks (1.66, 7.90, 117.73 ppm; 4.45 A): 1 out of 3 assignments used, quality = 1.00: * HD3 LYS 42 + H LYS 42 OK 100 100 100 100 2.4-4.4 2195=76, 1.8/677=75...(15) HB3 GLN 15 - H LYS 42 far 0 65 0 - 6.2-9.5 HB2 LEU 37 - H LYS 42 far 0 100 0 - 6.8-8.6 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 683 from nnoeabs.peaks (1.23, 8.33, 119.56 ppm; 3.35 A): 1 out of 4 assignments used, quality = 0.99: * HB2 LEU 43 + H LEU 43 OK 99 100 100 99 2.4-2.6 2232=65, 3.0/685=47...(15) HG LEU 19 - H LEU 43 far 0 92 0 - 6.7-8.5 QG2 THR 14 - H LEU 43 far 0 87 0 - 9.5-11.8 QG2 THR 46 - H LEU 43 far 0 71 0 - 9.5-9.8 Violated in 0 structures by 0.00 A. Peak 684 from nnoeabs.peaks (1.60, 8.33, 119.56 ppm; 3.52 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LEU 43 + H LEU 43 OK 100 100 100 100 3.6-3.8 1.8/683=77, 4.0=66...(12) HB2 LEU 41 + H LEU 43 OK 89 93 100 95 2.7-4.1 4.6/892=35, 2100/4499=32...(13) HG3 ARG 34 - H LEU 43 far 0 89 0 - 8.4-10.0 Violated in 0 structures by 0.00 A. Peak 685 from nnoeabs.peaks (1.47, 8.33, 119.56 ppm; 3.64 A): 1 out of 2 assignments used, quality = 1.00: * HG LEU 43 + H LEU 43 OK 100 100 100 100 2.6-3.1 3.0/683=61, 2.1/687=60...(12) QB ALA 35 - H LEU 43 far 0 92 0 - 7.8-8.4 Violated in 0 structures by 0.00 A. Peak 686 from nnoeabs.peaks (0.85, 8.33, 119.56 ppm; 4.15 A): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 43 + H LEU 43 OK 100 100 100 100 3.3-4.2 2230/3.0=83, 2.1/685=83...(9) QD1 LEU 68 - H LEU 43 far 0 99 0 - 9.8-31.9 Violated in 1 structures by 0.00 A. Peak 687 from nnoeabs.peaks (0.66, 8.33, 119.56 ppm; 3.97 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 43 + H LEU 43 OK 100 100 100 100 3.3-4.0 2.1/685=78, 3.1/683=67...(13) Violated in 3 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HA THR 44 + H THR 44 OK 100 100 100 100 2.9-2.9 2.9=100 HA MET 11 - H THR 44 far 0 99 0 - 7.7-9.6 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.5-3.8 4.0=100 Violated in 0 structures by 0.00 A. Peak 691 from nnoeabs.peaks (1.28, 8.84, 109.64 ppm; 3.21 A): 1 out of 2 assignments used, quality = 1.00: * QG2 THR 44 + H THR 44 OK 100 100 100 100 2.0-3.1 2275=100, 208/4.6=23...(5) HG12 ILE 50 - H THR 44 far 0 99 0 - 7.7-10.7 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HA GLU 45 + H GLU 45 OK 100 100 100 100 2.8-2.8 3.0=100 HA ALA 38 - H GLU 45 far 0 60 0 - 5.6-6.5 HA VAL 48 - H GLU 45 far 0 95 0 - 7.5-7.9 Violated in 0 structures by 0.00 A. Peak 694 from nnoeabs.peaks (2.04, 9.24, 121.30 ppm; 3.31 A): 3 out of 3 assignments used, quality = 1.00: * HB2 GLU 45 + H GLU 45 OK 95 100 100 95 2.2-3.5 4.0=55, 3.0/696=47...(12) HB3 GLU 45 + H GLU 45 OK 95 100 100 95 2.2-3.6 4.0=55, 3.0/696=47...(12) HG3 GLU 45 + H GLU 45 OK 59 65 100 89 3.3-4.2 1.8/696=63, 4.7=36...(7) Violated in 0 structures by 0.00 A. Peak 695 from nnoeabs.peaks (2.05, 9.24, 121.30 ppm; 3.31 A): 3 out of 3 assignments used, quality = 1.00: HB2 GLU 45 + H GLU 45 OK 95 100 100 95 2.2-3.5 4.0=55, 3.0/696=47...(12) * HB3 GLU 45 + H GLU 45 OK 95 100 100 95 2.2-3.6 4.0=55, 3.0/696=47...(12) HG3 GLU 45 + H GLU 45 OK 64 71 100 90 3.3-4.2 1.8/696=63, 4.7=36...(7) Violated in 0 structures by 0.00 A. Peak 696 from nnoeabs.peaks (2.40, 9.24, 121.30 ppm; 3.57 A): 1 out of 2 assignments used, quality = 0.99: * HG2 GLU 45 + H GLU 45 OK 99 100 100 99 2.1-3.3 2297=79, 1.8/2303=52...(13) HG3 GLN 47 - H GLU 45 far 0 100 0 - 5.5-7.3 Violated in 0 structures by 0.00 A. Peak 697 from nnoeabs.peaks (2.07, 9.24, 121.30 ppm; 3.31 A): 3 out of 3 assignments used, quality = 0.99: * HG3 GLU 45 + H GLU 45 OK 94 100 100 94 3.3-4.2 1.8/696=63, 2304/3.0=45...(7) HB3 GLU 45 + H GLU 45 OK 67 71 100 95 2.2-3.6 4.0=55, 3.0/696=47...(12) HB2 GLU 45 + H GLU 45 OK 62 65 100 95 2.2-3.5 4.0=55, 3.0/696=47...(12) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 700 from nnoeabs.peaks (4.06, 8.14, 115.25 ppm; 3.18 A): 1 out of 2 assignments used, quality = 0.95: * HB THR 46 + H THR 46 OK 95 100 100 95 2.4-2.5 2313=64, 2.1/701=50...(5) HA LYS 39 - H THR 46 far 0 78 0 - 9.3-10.0 Violated in 0 structures by 0.00 A. Peak 701 from nnoeabs.peaks (1.25, 8.14, 115.25 ppm; 3.73 A): 1 out of 2 assignments used, quality = 1.00: * QG2 THR 46 + H THR 46 OK 100 100 100 100 3.7-3.8 4.0=83, 2.1/700=81...(5) HB2 LEU 43 - H THR 46 far 0 71 0 - 6.6-7.0 Violated in 20 structures by 0.03 A. 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 3 assignments used, quality = 1.00: * HA GLN 47 + H GLN 47 OK 100 100 100 100 2.8-2.9 3.0=100 HA ALA 35 - H GLN 47 far 0 76 0 - 7.7-9.4 HA LYS 42 - H GLN 47 far 0 78 0 - 9.7-10.0 Violated in 0 structures by 0.00 A. Peak 704 from nnoeabs.peaks (2.58, 8.05, 120.26 ppm; 3.06 A): 1 out of 1 assignment used, quality = 0.98: * HB2 GLN 47 + H GLN 47 OK 98 100 100 98 2.5-2.6 1.8/705=53, 2329=45...(13) Violated in 0 structures by 0.00 A. Peak 705 from nnoeabs.peaks (1.83, 8.05, 120.26 ppm; 3.59 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLN 47 + H GLN 47 OK 100 100 100 100 3.6-3.6 1.8/704=86, 4.0=72...(13) HB3 MET 11 - H GLN 47 far 0 98 0 - 9.8-11.7 Violated in 20 structures by 0.01 A. Peak 706 from nnoeabs.peaks (2.55, 8.05, 120.26 ppm; 3.00 A): 1 out of 1 assignment used, quality = 0.98: * HG2 GLN 47 + H GLN 47 OK 98 100 100 98 2.1-2.5 2345=50, 1.8/707=50...(12) Violated in 0 structures by 0.00 A. Peak 707 from nnoeabs.peaks (2.40, 8.05, 120.26 ppm; 3.65 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLN 47 + H GLN 47 OK 100 100 100 100 2.9-3.4 1.8/706=89, 2353=74...(13) HG2 GLU 45 - H GLN 47 far 5 100 5 - 4.7-6.5 HG2 MET 11 - H GLN 47 far 0 89 0 - 7.7-10.0 Violated in 0 structures by 0.00 A. 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): 2 out of 4 assignments used, quality = 1.00: * HA VAL 48 + H VAL 48 OK 100 100 100 100 2.7-2.8 3.0=100 HA GLU 45 + H VAL 48 OK 89 95 100 95 3.4-3.9 3772=49, 3773/712=42...(10) HA ALA 38 - H VAL 48 far 14 90 15 - 4.8-5.8 HA LEU 19 - H VAL 48 far 0 97 0 - 8.0-9.0 Violated in 0 structures by 0.00 A. Peak 712 from nnoeabs.peaks (2.16, 7.68, 118.72 ppm; 3.24 A): 1 out of 3 assignments used, quality = 1.00: * HB VAL 48 + H VAL 48 OK 100 100 100 100 2.4-2.6 2366=77, 2.1/714=67...(12) HB2 GLN 53 - H VAL 48 far 0 93 0 - 8.5-9.8 HB3 LYS 42 - H VAL 48 far 0 97 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. Peak 713 from nnoeabs.peaks (1.00, 7.68, 118.72 ppm; 3.76 A): 1 out of 2 assignments used, quality = 1.00: * QG1 VAL 48 + H VAL 48 OK 100 100 100 100 3.7-3.8 4.0=86, 2.1/714=84...(11) QG2 VAL 16 - H VAL 48 far 0 90 0 - 8.6-9.7 Violated in 8 structures by 0.00 A. Peak 714 from nnoeabs.peaks (0.95, 7.68, 118.72 ppm; 3.11 A): 1 out of 2 assignments used, quality = 0.99: * QG2 VAL 48 + H VAL 48 OK 99 100 100 99 2.0-2.3 2376=65, 2.1/712=59...(13) QD1 LEU 37 - H VAL 48 far 0 97 0 - 4.6-8.2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 717 from nnoeabs.peaks (2.13, 8.54, 121.11 ppm; 3.22 A): 1 out of 2 assignments used, quality = 0.99: * HB2 LYS 49 + H LYS 49 OK 99 100 100 99 2.2-3.1 2391=77, 1.8/718=69...(15) HB2 GLN 53 - H LYS 49 far 0 76 0 - 6.3-7.7 Violated in 0 structures by 0.00 A. Peak 718 from nnoeabs.peaks (1.88, 8.54, 121.11 ppm; 3.26 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LYS 49 + H LYS 49 OK 100 100 100 100 2.1-2.9 2401=88, 1.8/717=71...(15) HB3 ARG 34 - H LYS 49 far 0 78 0 - 6.5-8.2 HG LEU 41 - H LYS 49 far 0 93 0 - 8.8-10.2 Violated in 0 structures by 0.00 A. Peak 719 from nnoeabs.peaks (1.57, 8.54, 121.11 ppm; 4.39 A): 2 out of 4 assignments used, quality = 1.00: * HG2 LYS 49 + H LYS 49 OK 100 100 100 100 3.9-4.6 3.0/717=83, 3.0/718=82...(16) HG3 ARG 34 + H LYS 49 OK 82 92 90 99 4.6-6.0 3.0/4344=60, 4329/230=49...(11) HG LEU 37 - H LYS 49 far 0 97 0 - 7.3-9.0 QB ALA 31 - H LYS 49 far 0 95 0 - 9.6-11.3 Violated in 1 structures by 0.00 A. Peak 720 from nnoeabs.peaks (1.40, 8.54, 121.11 ppm; 4.59 A): 1 out of 3 assignments used, quality = 1.00: * HG3 LYS 49 + H LYS 49 OK 100 100 100 100 4.3-4.6 3.0/717=87, 3.0/718=87...(15) HB3 LEU 41 - H LYS 49 far 0 60 0 - 8.9-10.8 HB2 LYS 27 - H LYS 49 far 0 83 0 - 10.0-13.2 Violated in 2 structures by 0.00 A. Peak 721 from nnoeabs.peaks (1.70, 8.54, 121.11 ppm; 4.29 A): 3 out of 6 assignments used, quality = 1.00: * HD2 LYS 49 + H LYS 49 OK 100 100 100 100 4.1-5.8 3.7/717=69, 3.7/718=69...(19) HD3 LYS 49 + H LYS 49 OK 95 100 95 100 4.5-5.8 3.7/717=69, 3.7/718=69...(18) HG13 ILE 50 + H LYS 49 OK 46 97 60 79 4.2-6.4 4.9/232=45, 247/1031=28...(8) HB3 LEU 37 - H LYS 49 far 0 60 0 - 7.5-8.9 HG3 LYS 22 - H LYS 49 far 0 71 0 - 9.3-12.3 HG2 LYS 22 - H LYS 49 far 0 97 0 - 9.8-11.7 Violated in 0 structures by 0.00 A. Peak 722 from nnoeabs.peaks (1.70, 8.54, 121.11 ppm; 4.29 A): 3 out of 5 assignments used, quality = 1.00: HD2 LYS 49 + H LYS 49 OK 100 100 100 100 4.1-5.8 3.7/717=69, 3.7/718=69...(19) * HD3 LYS 49 + H LYS 49 OK 95 100 95 100 4.5-5.8 3.7/717=69, 3.7/718=69...(18) HG13 ILE 50 + H LYS 49 OK 46 97 60 79 4.2-6.4 4.9/232=45, 247/1031=29...(8) HG3 LYS 22 - H LYS 49 far 0 73 0 - 9.3-12.3 HG2 LYS 22 - H LYS 49 far 0 96 0 - 9.8-11.7 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HA ILE 50 + H ILE 50 OK 100 100 100 100 2.7-2.8 3.0=100 HA PHE 52 - H ILE 50 far 0 89 0 - 7.0-7.3 HA ARG 34 - H ILE 50 far 0 90 0 - 9.3-10.7 Violated in 0 structures by 0.00 A. Peak 727 from nnoeabs.peaks (1.94, 8.69, 119.98 ppm; 3.16 A): 1 out of 2 assignments used, quality = 1.00: * HB ILE 50 + H ILE 50 OK 100 100 100 100 2.4-2.7 2478=87, 2.1/728=46...(15) HB2 ARG 34 - H ILE 50 far 0 100 0 - 9.4-10.8 Violated in 0 structures by 0.00 A. Peak 728 from nnoeabs.peaks (0.91, 8.69, 119.98 ppm; 3.88 A): 1 out of 2 assignments used, quality = 1.00: * QG2 ILE 50 + H ILE 50 OK 100 100 100 100 3.7-3.8 4.0=89, 2.1/727=85...(17) QD2 LEU 37 - H ILE 50 far 0 100 0 - 7.6-10.7 Violated in 0 structures by 0.00 A. Peak 729 from nnoeabs.peaks (1.29, 8.69, 119.98 ppm; 3.76 A): 1 out of 2 assignments used, quality = 1.00: * HG12 ILE 50 + H ILE 50 OK 100 100 100 100 2.0-3.6 2492=98, 3.0/727=67...(15) QG2 THR 44 - H ILE 50 far 0 99 0 - 7.7-8.7 Violated in 0 structures by 0.00 A. Peak 730 from nnoeabs.peaks (1.69, 8.69, 119.98 ppm; 3.43 A): 3 out of 5 assignments used, quality = 1.00: * HG13 ILE 50 + H ILE 50 OK 100 100 100 100 1.9-3.8 1.8/729=62, 3.0/727=57...(18) HD2 LYS 49 + H ILE 50 OK 40 97 45 93 2.7-6.3 3.7/3534=38, 3.7/235=37...(16) HD3 LYS 49 + H ILE 50 OK 27 97 30 91 2.9-5.6 3.7/3534=38, 3.7/235=37...(12) HB2 ARG 56 - H ILE 50 far 0 60 0 - 9.3-11.7 HB2 LEU 37 - H ILE 50 far 0 63 0 - 9.6-12.8 Violated in 6 structures by 0.01 A. Peak 731 from nnoeabs.peaks (0.80, 8.69, 119.98 ppm; 4.21 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 50 + H ILE 50 OK 100 100 100 100 2.7-3.8 2506=100, 2.1/729=82...(16) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.7-2.8 2.9=100 Violated in 0 structures by 0.00 A. Peak 734 from nnoeabs.peaks (3.50, 8.27, 121.67 ppm; 3.30 A): 1 out of 2 assignments used, quality = 0.98: * HB2 TRP 51 + H TRP 51 OK 98 100 100 98 2.7-2.8 1.8/735=74, 2523=66...(10) HB3 PHE 52 - H TRP 51 poor 13 63 20 - 4.8-6.4 Violated in 0 structures by 0.00 A. Peak 735 from nnoeabs.peaks (3.29, 8.27, 121.67 ppm; 3.17 A): 1 out of 3 assignments used, quality = 0.98: * HB3 TRP 51 + H TRP 51 OK 98 100 100 98 2.3-2.4 1.8/734=66, 2533=65...(10) HB2 PHE 52 - H TRP 51 far 0 89 0 - 4.7-6.4 HD3 ARG 34 - H TRP 51 far 0 78 0 - 7.1-9.4 Violated in 0 structures by 0.00 A. Peak 736 from nnoeabs.peaks (7.14, 8.27, 121.67 ppm; 4.88 A): 1 out of 3 assignments used, quality = 1.00: * HD1 TRP 51 + H TRP 51 OK 100 100 100 100 4.6-4.8 4574/735=89, 4572/2.9=83...(5) QD TYR 28 - H TRP 51 far 0 93 0 - 8.2-11.4 QD TYR 57 - H TRP 51 far 0 100 0 - 9.8-11.7 Violated in 0 structures by 0.00 A. Peak 737 from nnoeabs.peaks (6.97, 8.27, 121.67 ppm; 4.98 A): 1 out of 2 assignments used, quality = 1.00: * HE3 TRP 51 + H TRP 51 OK 100 100 100 100 4.9-5.1 4.2/735=78, 4.2/734=76...(6) HZ PHE 23 - H TRP 51 far 0 73 0 - 9.1-11.4 Violated in 18 structures by 0.05 A. 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): 2 out of 2 assignments used, quality = 1.00: * HA PHE 52 + H PHE 52 OK 100 100 100 100 2.8-2.8 2.9=100 HA ILE 50 + H PHE 52 OK 81 89 100 92 4.4-5.0 3.6/901=54, 3.0/1036=40...(6) Violated in 0 structures by 0.00 A. Peak 744 from nnoeabs.peaks (3.27, 8.94, 119.28 ppm; 3.62 A): 2 out of 3 assignments used, quality = 1.00: * HB2 PHE 52 + H PHE 52 OK 99 100 100 99 2.3-3.6 4.1=71, 1.8/2605=66...(8) HB3 TRP 51 + H PHE 52 OK 86 89 100 96 3.5-3.7 4.3=61, 1.8/251=47...(8) HD3 ARG 34 - H PHE 52 far 0 100 0 - 6.5-8.8 Violated in 0 structures by 0.00 A. Peak 745 from nnoeabs.peaks (3.53, 8.94, 119.28 ppm; 3.33 A): 2 out of 3 assignments used, quality = 0.98: * HB3 PHE 52 + H PHE 52 OK 95 100 100 95 2.3-3.6 2605=63, 2.5/747=50...(8) HB2 TRP 51 + H PHE 52 OK 58 63 100 92 2.2-2.5 4.3=48, 4.1/901=34...(10) HD2 ARG 34 - H PHE 52 far 0 93 0 - 6.4-9.0 Violated in 0 structures by 0.00 A. Peak 747 from nnoeabs.peaks (7.75, 8.94, 119.28 ppm; 3.75 A): 1 out of 2 assignments used, quality = 1.00: * QD PHE 52 + H PHE 52 OK 100 100 100 100 1.9-2.2 2.5/2605=60, 4728=60...(11) H ARG 56 - H PHE 52 far 0 100 0 - 5.8-6.3 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HA GLN 53 + H GLN 53 OK 100 100 100 100 2.8-2.9 2.9=100 HA GLN 47 - H GLN 53 far 0 81 0 - 7.3-8.1 Violated in 0 structures by 0.00 A. Peak 750 from nnoeabs.peaks (2.15, 8.03, 118.15 ppm; 3.13 A): 1 out of 3 assignments used, quality = 0.98: * HB2 GLN 53 + H GLN 53 OK 98 100 100 98 2.2-2.7 1.8/751=68, 2631=65...(9) HB2 LYS 49 - H GLN 53 far 0 76 0 - 5.4-6.2 HB VAL 48 - H GLN 53 far 0 93 0 - 7.6-8.1 Violated in 0 structures by 0.00 A. Peak 751 from nnoeabs.peaks (2.22, 8.03, 118.15 ppm; 3.18 A): 1 out of 2 assignments used, quality = 0.98: * HB3 GLN 53 + H GLN 53 OK 98 100 100 98 2.9-3.6 1.8/750=71, 2639=67...(6) HG2 ARG 56 - H GLN 53 far 0 83 0 - 5.1-7.9 Violated in 1 structures by 0.02 A. Peak 752 from nnoeabs.peaks (2.44, 8.03, 118.15 ppm; 3.94 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 53 + H GLN 53 OK 100 100 100 100 2.4-4.2 3.0/750=73, 3.0/751=72...(6) Violated in 19 structures by 0.14 A. Peak 753 from nnoeabs.peaks (2.37, 8.03, 118.15 ppm; 4.17 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLN 53 + H GLN 53 OK 100 100 100 100 2.3-4.5 1.8/752=82, 3.0/750=79...(7) HB3 LYS 22 - H GLN 53 far 0 96 0 - 9.9-10.7 Violated in 19 structures by 0.22 A. Peak 756 from nnoeabs.peaks (8.29, 8.29, 117.45 ppm; diagonal): 2 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 8 assignments used, quality = 1.00: * HA ASN 54 + H ASN 54 OK 100 100 100 100 2.7-2.8 3.0=100 HA LEU 64 - H SER 66 poor 11 37 30 - 3.7-7.0 HA LEU 68 - H SER 66 far 0 48 0 - 6.3-9.1 HA HIS 13 - H SER 66 far 0 36 0 - 6.4-31.9 HA LYS 49 - H ASN 54 far 0 65 0 - 6.5-7.1 HA LEU 68 - H ASN 54 far 0 99 0 - 8.3-28.1 HA LEU 64 - H ASN 54 far 0 85 0 - 9.0-24.0 HA ASN 54 - H SER 66 far 0 51 0 - 9.7-22.4 Violated in 0 structures by 0.00 A. Peak 758 from nnoeabs.peaks (2.48, 8.29, 117.45 ppm; 3.47 A): 1 out of 3 assignments used, quality = 0.99: * HB2 ASN 54 + H ASN 54 OK 99 100 100 99 3.5-3.6 1.8/759=80, 2669=80...(7) HB2 ASN 54 - H SER 66 far 0 51 0 - 7.6-24.0 HG2 GLU 20 - H SER 66 far 0 45 0 - 8.2-23.9 Violated in 20 structures by 0.04 A. Peak 759 from nnoeabs.peaks (2.65, 8.29, 117.45 ppm; 3.16 A): 1 out of 2 assignments used, quality = 0.97: * HB3 ASN 54 + H ASN 54 OK 97 100 100 97 2.2-2.8 2675=75, 1.8/758=60...(7) HB3 ASN 54 - H SER 66 far 0 51 0 - 8.3-24.4 Violated in 0 structures by 0.00 A. Peak 760 from nnoeabs.peaks (7.49, 8.29, 117.45 ppm; 4.50 A): 2 out of 3 assignments used, quality = 1.00: * HD21 ASN 54 + H ASN 54 OK 100 100 100 100 2.6-4.4 3.4/759=79, 3.4/758=74...(8) HE22 GLN 53 + H ASN 54 OK 68 92 75 99 4.2-7.0 3.5/269=70, 4.4/267=60...(8) HD21 ASN 54 - H SER 66 far 0 51 0 - 6.6-25.0 Violated in 0 structures by 0.00 A. Peak 761 from nnoeabs.peaks (6.91, 8.29, 117.45 ppm; 5.02 A): 2 out of 4 assignments used, quality = 1.00: * HD22 ASN 54 + H ASN 54 OK 100 100 100 100 3.3-4.9 397=100, 3.4/759=89...(8) HE21 GLN 53 + H ASN 54 OK 68 68 100 100 4.2-6.3 3.5/269=82, 4.4/267=72...(10) HD22 ASN 54 - H SER 66 far 3 51 5 - 6.4-26.0 HE21 GLN 53 - H SER 66 far 0 28 0 - 9.7-25.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.7-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 764 from nnoeabs.peaks (0.65, 8.07, 122.80 ppm; 3.69 A): 1 out of 3 assignments used, quality = 0.98: * HB2 ARG 55 + H ARG 55 OK 98 100 100 98 2.1-3.6 4.0=77, 281/279=40...(8) QD1 LEU 43 - H ARG 55 far 0 100 0 - 8.8-11.0 HG2 LYS 27 - H ARG 55 far 0 87 0 - 9.6-12.9 Violated in 0 structures by 0.00 A. Peak 765 from nnoeabs.peaks (-0.28, 8.07, 122.80 ppm; 3.75 A): 2 out of 3 assignments used, quality = 1.00: * HB3 ARG 55 + H ARG 55 OK 99 100 100 99 2.1-3.6 4.0=81, 1.8/764=76...(7) HG2 ARG 55 + H ARG 55 OK 97 100 100 97 2.2-4.6 3.0/764=58, 5.1=40...(10) QD1 LEU 19 - H ARG 55 far 0 100 0 - 6.9-7.8 Violated in 0 structures by 0.00 A. Peak 766 from nnoeabs.peaks (-0.28, 8.07, 122.80 ppm; 3.75 A): 2 out of 3 assignments used, quality = 1.00: HB3 ARG 55 + H ARG 55 OK 98 100 100 99 2.1-3.6 4.0=81, 1.8/764=76...(7) * HG2 ARG 55 + H ARG 55 OK 97 100 100 97 2.2-4.6 3.0/764=58, 5.1=40...(10) QD1 LEU 19 - H ARG 55 far 0 100 0 - 6.9-7.8 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.0-4.5 5.1=100 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HA ARG 56 + H ARG 56 OK 100 100 100 100 2.8-2.9 3.0=100 HA LYS 58 - H ARG 56 far 0 63 0 - 6.8-7.5 HA SER 24 - H ARG 56 far 0 100 0 - 9.3-11.1 Violated in 0 structures by 0.00 A. Peak 772 from nnoeabs.peaks (1.72, 7.75, 117.78 ppm; 4.01 A): 2 out of 6 assignments used, quality = 1.00: * HB2 ARG 56 + H ARG 56 OK 100 100 100 100 2.1-3.6 3.9=100 HB3 LYS 58 + H ARG 56 OK 29 97 35 84 5.2-6.4 3841/3.6=44, 787/1059=41...(7) HB3 ARG 61 - H ARG 56 far 0 99 0 - 6.6-14.9 HD2 LYS 49 - H ARG 56 far 0 87 0 - 7.4-12.0 HD3 LYS 49 - H ARG 56 far 0 85 0 - 8.4-12.3 HG13 ILE 50 - H ARG 56 far 0 60 0 - 9.8-11.3 Violated in 0 structures by 0.00 A. Peak 773 from nnoeabs.peaks (2.04, 7.75, 117.78 ppm; 3.67 A): 1 out of 2 assignments used, quality = 0.99: * HB3 ARG 56 + H ARG 56 OK 99 100 100 99 2.1-3.6 3.9=83, 3.0/774=52...(7) HB3 GLU 20 - H ARG 56 far 0 100 0 - 9.8-11.8 Violated in 0 structures by 0.00 A. Peak 774 from nnoeabs.peaks (2.20, 7.75, 117.78 ppm; 3.95 A): 1 out of 2 assignments used, quality = 0.99: * HG2 ARG 56 + H ARG 56 OK 99 100 100 99 3.0-4.4 1.8/775=67, 3.0/773=64...(7) HB3 GLN 53 - H ARG 56 far 8 83 10 - 5.4-6.2 Violated in 12 structures by 0.10 A. Peak 775 from nnoeabs.peaks (1.45, 7.75, 117.78 ppm; 4.26 A): 1 out of 7 assignments used, quality = 1.00: * HG3 ARG 56 + H ARG 56 OK 100 100 100 100 1.9-4.6 1.8/774=84, 4.6=78...(6) HG3 LYS 58 - H ARG 56 far 10 100 10 - 4.6-8.3 HG2 LYS 60 - H ARG 56 far 0 65 0 - 5.8-12.9 HG3 LYS 60 - H ARG 56 far 0 68 0 - 6.2-12.6 HG3 LYS 62 - H ARG 56 far 0 83 0 - 7.6-16.9 HG2 LYS 62 - H ARG 56 far 0 83 0 - 7.7-16.4 HB3 LEU 29 - H ARG 56 far 0 99 0 - 9.9-12.5 Violated in 11 structures by 0.05 A. 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 4 assignments used, quality = 1.00: * HA TYR 57 + H TYR 57 OK 100 100 100 100 2.7-2.8 3.0=100 HA SER 65 - H TYR 57 far 0 100 0 - 9.0-18.7 HA SER 65 - H GLU 18 far 0 76 0 - 9.9-31.3 HA SER 66 - H TYR 57 far 0 95 0 - 10.0-21.6 Violated in 0 structures by 0.00 A. Peak 780 from nnoeabs.peaks (3.09, 7.56, 119.05 ppm; 3.22 A): 1 out of 3 assignments used, quality = 0.98: * HB2 TYR 57 + H TYR 57 OK 98 100 100 98 2.2-2.6 1.8/781=68, 2799=59...(7) HB3 PHE 23 - H GLU 18 far 0 65 0 - 8.9-10.1 HB3 PHE 23 - H TYR 57 far 0 92 0 - 9.1-10.4 Violated in 0 structures by 0.00 A. Peak 781 from nnoeabs.peaks (3.17, 7.56, 119.05 ppm; 3.30 A): 1 out of 5 assignments used, quality = 0.99: * HB3 TYR 57 + H TYR 57 OK 99 100 100 99 2.5-2.9 1.8/780=73, 2805=68...(8) HD2 ARG 61 - H TYR 57 far 0 71 0 - 7.2-16.5 HB2 PHE 23 - H GLU 18 far 0 69 0 - 8.6-10.1 HD3 ARG 61 - H TYR 57 far 0 71 0 - 8.8-16.3 HB2 PHE 23 - H TYR 57 far 0 96 0 - 9.7-11.1 Violated in 0 structures by 0.00 A. Peak 783 from nnoeabs.peaks (7.14, 7.56, 119.05 ppm; 4.04 A): 1 out of 5 assignments used, quality = 1.00: * QD TYR 57 + H TYR 57 OK 100 100 100 100 4.0-4.2 2.5/780=83, 2.5/781=81...(9) HD2 HIS 13 - H GLU 18 far 0 56 0 - 6.3-8.4 QD TYR 28 - H TYR 57 far 0 93 0 - 8.0-11.4 HD1 TRP 51 - H GLU 18 far 0 76 0 - 9.1-9.9 HD1 TRP 51 - H TYR 57 far 0 100 0 - 9.9-11.0 Violated in 15 structures by 0.06 A. 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): 2 out of 2 assignments used, quality = 1.00: * HA LYS 58 + H LYS 58 OK 100 100 100 100 2.9-2.9 3.0=100 HA ARG 56 + H LYS 58 OK 52 63 100 83 3.9-4.1 3.6/907=45, 3843=38...(5) Violated in 0 structures by 0.00 A. Peak 786 from nnoeabs.peaks (1.80, 7.68, 119.80 ppm; 3.56 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LYS 58 + H LYS 58 OK 100 100 100 100 2.9-3.6 1.8/787=79, 4.0=70...(11) HB3 LYS 60 - H LYS 58 far 4 73 5 - 4.9-9.7 HB3 LYS 62 - H LYS 58 far 0 65 0 - 5.2-14.4 HB2 LYS 62 - H LYS 58 far 0 68 0 - 5.7-15.6 HB2 ARG 61 - H LYS 58 far 0 98 0 - 6.9-12.7 Violated in 15 structures by 0.04 A. Peak 787 from nnoeabs.peaks (1.73, 7.68, 119.80 ppm; 3.29 A): 1 out of 3 assignments used, quality = 0.99: * HB3 LYS 58 + H LYS 58 OK 99 100 100 99 2.2-2.7 1.8/786=63, 4.0=55...(14) HB2 ARG 56 - H LYS 58 far 0 97 0 - 4.9-5.9 HB3 ARG 61 - H LYS 58 far 0 100 0 - 6.5-11.9 Violated in 0 structures by 0.00 A. Peak 788 from nnoeabs.peaks (1.36, 7.68, 119.80 ppm; 4.25 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 58 + H LYS 58 OK 100 100 100 100 2.6-4.5 1.8/789=81, 2.8/787=80...(14) HD3 LYS 27 - H LYS 58 far 0 68 0 - 7.4-11.5 Violated in 2 structures by 0.02 A. Peak 789 from nnoeabs.peaks (1.45, 7.68, 119.80 ppm; 4.07 A): 1 out of 6 assignments used, quality = 1.00: * HG3 LYS 58 + H LYS 58 OK 100 100 100 100 2.5-4.3 2.8/787=76, 2863=74...(16) HG3 ARG 56 - H LYS 58 far 10 100 10 - 4.8-7.1 HG3 LYS 60 - H LYS 58 far 10 65 15 - 4.4-10.4 HG2 LYS 60 - H LYS 58 far 3 63 5 - 5.4-10.3 HG3 LYS 62 - H LYS 58 far 0 81 0 - 6.4-15.2 HG2 LYS 62 - H LYS 58 far 0 81 0 - 7.5-15.1 Violated in 2 structures by 0.02 A. Peak 790 from nnoeabs.peaks (1.54, 7.68, 119.80 ppm; 4.90 A): 2 out of 3 assignments used, quality = 1.00: HD3 LYS 58 + H LYS 58 OK 100 100 100 100 1.9-5.4 3.5/787=85, 3.5/786=81...(14) * HD2 LYS 58 + H LYS 58 OK 100 100 100 100 2.1-5.9 3.5/787=85, 3.5/786=81...(14) HB3 LYS 27 - H LYS 58 far 0 83 0 - 9.2-13.7 Violated in 0 structures by 0.00 A. Peak 791 from nnoeabs.peaks (1.54, 7.68, 119.80 ppm; 4.90 A): 2 out of 3 assignments used, quality = 1.00: * HD3 LYS 58 + H LYS 58 OK 100 100 100 100 1.9-5.4 3.5/787=85, 3.5/786=81...(14) HD2 LYS 58 + H LYS 58 OK 100 100 100 100 2.1-5.9 3.5/787=85, 3.5/786=81...(14) HB3 LYS 27 - H LYS 58 far 0 83 0 - 9.2-13.7 Violated in 0 structures by 0.00 A. 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): 3 out of 5 assignments used, quality = 1.00: * HA THR 59 + H THR 59 OK 100 100 100 100 2.3-2.9 3.0=100 HB THR 59 + H THR 59 OK 77 81 100 96 2.2-4.0 4.0=67, 2.1/797=64...(8) HA LYS 60 + H THR 59 OK 23 100 30 75 4.4-5.6 3.0/909=38, 4881/4.0=30...(9) HA LYS 62 - H THR 59 far 0 100 0 - 5.5-11.9 HA ARG 61 - H THR 59 far 0 87 0 - 6.3-8.2 Violated in 0 structures by 0.00 A. Peak 796 from nnoeabs.peaks (4.28, 7.72, 113.00 ppm; 3.45 A): 2 out of 4 assignments used, quality = 0.99: * HB THR 59 + H THR 59 OK 95 100 100 95 2.2-4.0 4.0=62, 2.1/797=61...(8) HA THR 59 + H THR 59 OK 81 81 100 100 2.3-2.9 3.0=100 HA LYS 60 - H THR 59 poor 15 87 25 70 4.4-5.6 3.0/909=36, 4881/4.0=23...(9) HA LYS 62 - H THR 59 far 0 76 0 - 5.5-11.9 Violated in 0 structures by 0.00 A. Peak 797 from nnoeabs.peaks (1.29, 7.72, 113.00 ppm; 3.65 A): 1 out of 1 assignment used, quality = 0.98: * QG2 THR 59 + H THR 59 OK 98 100 100 98 2.5-3.9 4.0=79, 2916/3.0=66...(10) Violated in 9 structures by 0.04 A. 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): 3 out of 5 assignments used, quality = 1.00: * HA LYS 60 + H LYS 60 OK 100 100 100 100 2.8-2.9 3.0=100 HA THR 59 + H LYS 60 OK 99 100 100 99 2.3-3.2 3.6=95, 2916/4.1=42...(11) HB THR 59 + H LYS 60 OK 60 87 100 69 2.1-4.6 4.7=42, 4.0/909=29...(4) HA ARG 61 - H LYS 60 poor 8 81 30 31 4.7-5.9 ~316=10, ~809=8...(8) HA LYS 62 - H LYS 60 far 0 100 0 - 6.1-8.8 Violated in 0 structures by 0.00 A. Peak 800 from nnoeabs.peaks (1.83, 7.98, 123.03 ppm; 4.11 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LYS 60 + H LYS 60 OK 100 100 100 100 2.2-3.7 3.8=100 HB2 ARG 61 - H LYS 60 poor 8 73 30 34 4.7-7.5 317/4.6=21, ~3032=5...(7) HB2 LYS 62 - H LYS 60 far 5 99 5 - 4.9-11.0 Violated in 0 structures by 0.00 A. Peak 801 from nnoeabs.peaks (1.78, 7.98, 123.03 ppm; 3.86 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LYS 60 + H LYS 60 OK 100 100 100 100 2.3-3.8 3.8=100 HB2 LYS 58 - H LYS 60 poor 16 73 65 34 2.7-7.0 4.6/909=32, 2.8/803=2 HB3 LYS 62 - H LYS 60 far 0 100 0 - 5.9-10.2 Violated in 0 structures by 0.00 A. Peak 802 from nnoeabs.peaks (1.43, 7.98, 123.03 ppm; 4.77 A): 2 out of 7 assignments used, quality = 1.00: * HG2 LYS 60 + H LYS 60 OK 99 100 100 99 1.9-5.2 4.9=91, 2929/3.0=21...(21) HG3 LYS 60 + H LYS 60 OK 99 100 100 99 2.2-4.7 4.9=91, 2929/3.0=21...(20) HG3 ARG 56 - H LYS 60 poor 20 65 30 - 5.8-9.2 HG3 LYS 58 - H LYS 60 poor 11 63 60 28 5.1-9.0 3592/909=17, 2.8/801=12 HG2 LYS 62 - H LYS 60 far 10 99 10 - 5.0-11.9 HG3 LYS 62 - H LYS 60 far 5 99 5 - 5.9-11.2 HB2 LYS 27 - H LYS 60 far 0 99 0 - 6.5-12.4 Violated in 0 structures by 0.00 A. Peak 803 from nnoeabs.peaks (1.43, 7.98, 123.03 ppm; 4.77 A): 2 out of 7 assignments used, quality = 1.00: HG2 LYS 60 + H LYS 60 OK 99 100 100 99 1.9-5.2 4.9=91, 2929/3.0=21...(21) * HG3 LYS 60 + H LYS 60 OK 99 100 100 99 2.2-4.7 4.9=91, 2929/3.0=21...(20) HG3 LYS 58 - H LYS 60 poor 11 65 60 29 5.1-9.0 3592/909=18, 2.8/801=12 HG2 LYS 62 - H LYS 60 far 10 99 10 - 5.0-11.9 HG3 LYS 62 - H LYS 60 far 5 99 5 - 5.9-11.2 HG3 ARG 56 - H LYS 60 lone 2 68 30 8 5.8-9.2 2769/4.6=6 HB2 LYS 27 - H LYS 60 far 0 98 0 - 6.5-12.4 Violated in 0 structures by 0.00 A. 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): 2 out of 5 assignments used, quality = 1.00: * HA ARG 61 + H ARG 61 OK 100 100 100 100 2.8-2.9 3.0=100 HA LYS 60 + H ARG 61 OK 73 81 100 90 2.2-3.6 3.6=75, 3.0/318=35...(13) HA THR 59 - H ARG 61 poor 6 87 25 28 3.7-6.7 4681/4.4=18, 312/4.6=8 HA LYS 62 - H ARG 61 far 5 90 5 - 4.6-5.8 HA GLU 20 - H ARG 61 far 0 78 0 - 7.4-17.3 Violated in 0 structures by 0.00 A. Peak 810 from nnoeabs.peaks (1.81, 8.17, 121.81 ppm; 3.74 A): 2 out of 4 assignments used, quality = 1.00: * HB2 ARG 61 + H ARG 61 OK 99 100 100 99 2.2-3.8 4.0=80, 1.8/811=76...(14) HB2 LYS 60 + H ARG 61 OK 60 73 100 81 2.1-4.4 4.4=62, 3.0/316=33...(11) HB2 LYS 62 - H ARG 61 poor 18 89 20 - 4.2-7.7 HB2 LYS 58 - H ARG 61 far 0 98 0 - 5.5-9.8 Violated in 0 structures by 0.00 A. Peak 811 from nnoeabs.peaks (1.73, 8.17, 121.81 ppm; 3.66 A): 1 out of 3 assignments used, quality = 0.97: * HB3 ARG 61 + H ARG 61 OK 97 100 100 97 2.2-3.7 4.0=75, 1.8/810=44...(13) HB2 ARG 56 - H ARG 61 far 5 99 5 - 5.0-12.6 HB3 LYS 58 - H ARG 61 far 0 100 0 - 5.8-9.8 Violated in 0 structures by 0.00 A. Peak 812 from nnoeabs.peaks (1.60, 8.17, 121.81 ppm; 4.00 A): 2 out of 4 assignments used, quality = 1.00: HG3 ARG 61 + H ARG 61 OK 99 100 100 99 2.4-4.5 2.9/811=67, 4.9=53...(14) * HG2 ARG 61 + H ARG 61 OK 99 100 100 99 2.2-4.7 2.9/811=67, 4.9=53...(13) HB3 LEU 64 - H ARG 61 far 0 81 0 - 8.9-13.9 HG LEU 68 - H ARG 61 far 0 85 0 - 9.8-23.1 Violated in 1 structures by 0.00 A. Peak 813 from nnoeabs.peaks (1.59, 8.17, 121.81 ppm; 4.00 A): 2 out of 4 assignments used, quality = 1.00: * HG3 ARG 61 + H ARG 61 OK 99 100 100 99 2.4-4.5 2.9/811=67, 4.9=53...(14) HG2 ARG 61 + H ARG 61 OK 99 100 100 99 2.2-4.7 2.9/811=67, 4.9=53...(13) HB3 LEU 64 - H ARG 61 far 0 78 0 - 8.9-13.9 HG LEU 68 - H ARG 61 far 0 83 0 - 9.8-23.1 Violated in 1 structures by 0.00 A. 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): 2 out of 5 assignments used, quality = 1.00: * HA LYS 62 + H LYS 62 OK 100 100 100 100 2.8-2.9 2.9=100 HA ARG 61 + H LYS 62 OK 81 90 100 90 2.1-3.6 3.6=65, 3.0/328=40...(13) HA LYS 60 - H LYS 62 poor 11 100 30 36 3.8-6.6 316/4.6=13, 3.0/3091=7...(10) HA THR 59 - H LYS 62 far 5 100 5 - 3.5-9.7 HB THR 59 - H LYS 62 far 0 76 0 - 6.0-10.9 Violated in 0 structures by 0.00 A. Peak 818 from nnoeabs.peaks (1.83, 8.30, 122.70 ppm; 3.77 A): 2 out of 5 assignments used, quality = 1.00: * HB2 LYS 62 + H LYS 62 OK 98 100 100 98 2.3-4.0 4.0=82, 335/4.6=33...(22) HB2 ARG 61 + H LYS 62 OK 87 89 100 98 2.1-4.5 1.8/328=76, 4.6=54...(11) HB2 LYS 60 - H LYS 62 poor 12 99 25 48 2.6-8.0 317/4.6=19, 1.8/3091=13...(7) HB2 LYS 58 - H LYS 62 far 0 68 0 - 5.4-13.1 HB3 MET 11 - H LYS 62 far 0 99 0 - 9.9-28.6 Violated in 1 structures by 0.00 A. Peak 819 from nnoeabs.peaks (1.77, 8.30, 122.70 ppm; 3.53 A): 1 out of 3 assignments used, quality = 0.92: * HB3 LYS 62 + H LYS 62 OK 92 100 100 92 2.3-3.6 4.0=67, 2.9/821=17...(23) HB3 LYS 60 - H LYS 62 poor 15 100 30 50 2.6-7.0 318/4.6=26, 3091=11...(7) HB2 LYS 58 - H LYS 62 far 0 65 0 - 5.4-13.1 Violated in 3 structures by 0.01 A. Peak 820 from nnoeabs.peaks (1.43, 8.30, 122.70 ppm; 4.49 A): 3 out of 7 assignments used, quality = 1.00: * HG2 LYS 62 + H LYS 62 OK 99 100 100 99 2.1-4.7 4.9=76, 2.9/819=70...(23) HG3 LYS 62 + H LYS 62 OK 99 100 100 99 2.3-5.2 4.9=76, 2.9/819=70...(22) HG2 LYS 60 + H LYS 62 OK 21 99 60 36 3.1-8.7 3.0/3091=15, 3.0/3081=13...(6) HG3 LYS 60 - H LYS 62 poor 13 99 35 36 2.1-8.5 3.0/3091=15, 3.0/3081=13...(4) HG3 ARG 56 - H LYS 62 far 0 83 0 - 6.3-14.5 HG3 LYS 58 - H LYS 62 far 0 81 0 - 6.7-14.2 HB2 LYS 27 - H LYS 62 far 0 92 0 - 7.9-16.8 Violated in 0 structures by 0.00 A. Peak 821 from nnoeabs.peaks (1.43, 8.30, 122.70 ppm; 4.49 A): 3 out of 7 assignments used, quality = 1.00: HG2 LYS 62 + H LYS 62 OK 99 100 100 99 2.1-4.7 4.9=76, 2.9/819=70...(23) * HG3 LYS 62 + H LYS 62 OK 99 100 100 99 2.3-5.2 4.9=76, 2.9/819=70...(22) HG2 LYS 60 + H LYS 62 OK 21 99 60 36 3.1-8.7 3.0/3091=15, 3.0/3081=13...(6) HG3 LYS 60 - H LYS 62 poor 13 99 35 36 2.1-8.5 3.0/3091=15, 3.0/3081=13...(4) HG3 ARG 56 - H LYS 62 far 0 83 0 - 6.3-14.5 HG3 LYS 58 - H LYS 62 far 0 81 0 - 6.7-14.2 HB2 LYS 27 - H LYS 62 far 0 92 0 - 7.9-16.8 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HA GLN 63 + H GLN 63 OK 100 100 100 100 2.3-2.9 3.0=100 HA GLU 67 - H GLN 63 far 0 100 0 - 8.1-13.3 Violated in 0 structures by 0.00 A. Peak 828 from nnoeabs.peaks (2.08, 8.38, 121.72 ppm; 4.37 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLN 63 + H GLN 63 OK 100 100 100 100 2.2-4.0 3.9=100 HB2 GLU 67 - H GLN 63 far 0 98 0 - 7.7-14.3 HB VAL 16 - H GLN 63 far 0 100 0 - 9.5-27.5 Violated in 0 structures by 0.00 A. Peak 829 from nnoeabs.peaks (2.00, 8.38, 121.72 ppm; 3.65 A): 1 out of 3 assignments used, quality = 0.90: * HB3 GLN 63 + H GLN 63 OK 90 100 100 90 2.5-3.6 3.9=80, 3.0/831=24...(5) HD3 ARG 55 - H GLN 63 far 0 71 0 - 7.0-20.6 HB3 ARG 21 - H GLN 63 far 0 65 0 - 9.3-27.5 Violated in 0 structures by 0.00 A. Peak 830 from nnoeabs.peaks (2.36, 8.38, 121.72 ppm; 4.15 A): 2 out of 3 assignments used, quality = 0.99: HG3 GLN 63 + H GLN 63 OK 90 100 100 90 2.4-4.6 3.0/829=70, 5.1=53...(5) * HG2 GLN 63 + H GLN 63 OK 90 100 100 90 2.6-5.1 3.0/829=70, 5.1=53...(5) HG3 GLN 53 - H GLN 63 far 0 97 0 - 6.5-21.1 Violated in 1 structures by 0.00 A. Peak 831 from nnoeabs.peaks (2.36, 8.38, 121.72 ppm; 4.15 A): 2 out of 3 assignments used, quality = 0.99: * HG3 GLN 63 + H GLN 63 OK 90 100 100 90 2.4-4.6 3.0/829=70, 5.1=53...(5) HG2 GLN 63 + H GLN 63 OK 90 100 100 90 2.6-5.1 3.0/829=70, 5.1=53...(5) HG3 GLN 53 - H GLN 63 far 0 99 0 - 6.5-21.1 Violated in 1 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HA LEU 64 + H LEU 64 OK 100 100 100 100 2.3-2.9 2.9=100 HA ASN 54 - H LEU 64 far 0 85 0 - 7.9-21.0 HA LEU 68 - H LEU 64 far 0 97 0 - 8.7-14.6 Violated in 0 structures by 0.00 A. Peak 836 from nnoeabs.peaks (1.66, 8.38, 123.55 ppm; 3.33 A): 2 out of 7 assignments used, quality = 0.98: * HB2 LEU 64 + H LEU 64 OK 94 100 100 94 2.1-4.0 3.8=68, 3.0/3222=27...(17) HG LEU 64 + H LEU 64 OK 58 78 100 74 2.0-4.7 5.1=28, 3203/2.9=18...(10) HD2 LYS 62 - H LEU 64 poor 7 98 30 24 2.1-8.8 3.4/3617=9, 3.4/3618=6...(4) HD3 LYS 62 - H LEU 64 poor 6 99 25 23 2.4-9.7 3.4/3617=9, 3.4/3618=6...(4) HD2 LYS 60 - H LEU 64 far 0 97 0 - 5.6-15.1 HD3 LYS 60 - H LEU 64 far 0 98 0 - 6.1-15.6 HB2 LEU 68 - H LEU 64 far 0 71 0 - 9.9-14.4 Violated in 0 structures by 0.00 A. Peak 837 from nnoeabs.peaks (1.62, 8.38, 123.55 ppm; 3.52 A): 2 out of 7 assignments used, quality = 0.99: * HB3 LEU 64 + H LEU 64 OK 96 100 100 96 2.3-4.1 3.8=80, 3.0/3222=31...(17) HG LEU 64 + H LEU 64 OK 62 78 100 79 2.0-4.7 5.1=33, 3211/3.8=20...(10) HG3 ARG 61 - H LEU 64 far 0 78 0 - 5.6-12.4 HG2 ARG 61 - H LEU 64 far 0 81 0 - 6.0-11.9 HG3 ARG 21 - H LEU 64 far 0 95 0 - 9.7-30.5 HG LEU 68 - H LEU 64 far 0 100 0 - 9.8-15.6 HB2 LEU 68 - H LEU 64 far 0 85 0 - 9.9-14.4 Violated in 1 structures by 0.00 A. Peak 838 from nnoeabs.peaks (1.64, 8.38, 123.55 ppm; 3.52 A): 3 out of 5 assignments used, quality = 0.99: * HG LEU 64 + H LEU 64 OK 83 100 100 83 2.0-4.7 3222=39, 2.1/3236=19...(11) HB2 LEU 64 + H LEU 64 OK 75 78 100 96 2.1-4.0 3.8=80, 3.0/3222=31...(16) HB3 LEU 64 + H LEU 64 OK 75 78 100 96 2.3-4.1 3.8=80, 3.0/3222=31...(16) HG LEU 68 - H LEU 64 far 0 73 0 - 9.8-15.6 HB2 LEU 68 - H LEU 64 far 0 100 0 - 9.9-14.4 Violated in 0 structures by 0.00 A. Peak 839 from nnoeabs.peaks (0.91, 8.38, 123.55 ppm; 5.53 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 64 + H LEU 64 OK 100 100 100 100 2.1-4.8 4.7=100 QG2 ILE 50 - H LEU 64 far 0 99 0 - 9.8-22.3 Violated in 0 structures by 0.00 A. Peak 840 from nnoeabs.peaks (0.85, 8.38, 123.55 ppm; 5.86 A): 1 out of 3 assignments used, quality = 1.00: * QD2 LEU 64 + H LEU 64 OK 100 100 100 100 1.9-4.6 4.7=100 QD2 LEU 68 - H LEU 64 far 0 97 0 - 8.3-12.1 QD1 LEU 68 - H LEU 64 far 0 95 0 - 8.4-13.4 Violated in 0 structures by 0.00 A. 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): 2 out of 3 assignments used, quality = 1.00: * HA SER 65 + H SER 65 OK 100 100 100 100 2.3-2.9 2.9=100 HA SER 66 + H SER 65 OK 58 90 100 65 4.6-5.8 3243=28, 3.0/3251=23...(10) HA TYR 57 - H SER 65 far 5 100 5 - 5.3-18.8 Violated in 0 structures by 0.00 A. Peak 843 from nnoeabs.peaks (3.93, 8.35, 116.28 ppm; 4.87 A): 2 out of 3 assignments used, quality = 1.00: * HB2 SER 65 + H SER 65 OK 100 100 100 100 2.5-4.1 3.9=100 HB2 SER 66 + H SER 65 OK 37 96 60 64 4.2-7.4 1.8/3251=26, 3247=24...(7) HA GLN 53 - H SER 65 far 0 99 0 - 8.5-21.6 Violated in 0 structures by 0.00 A. Peak 844 from nnoeabs.peaks (3.87, 8.35, 116.28 ppm; 4.88 A): 2 out of 2 assignments used, quality = 1.00: * HB3 SER 65 + H SER 65 OK 100 100 100 100 2.2-4.0 3.9=100 HB3 SER 66 + H SER 65 OK 47 100 70 66 4.4-7.3 3251=32, 3.0/842=23...(7) Violated in 0 structures by 0.00 A. Peak 845 from nnoeabs.peaks (8.28, 8.28, 117.12 ppm; diagonal): 2 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 4 assignments used, quality = 1.00: * HA SER 66 + H SER 66 OK 100 100 100 100 2.8-2.9 3.0=100 HA SER 65 + H SER 66 OK 90 90 100 100 2.1-3.5 3.6=100 HA TYR 57 - H ASN 54 far 0 44 0 - 6.5-7.6 HA TYR 57 - H SER 66 far 0 95 0 - 7.2-20.0 Violated in 0 structures by 0.00 A. Peak 847 from nnoeabs.peaks (3.94, 8.28, 117.12 ppm; 4.78 A): 3 out of 8 assignments used, quality = 1.00: * HB2 SER 66 + H SER 66 OK 100 100 100 100 2.4-4.1 4.0=100 HB2 SER 65 + H SER 66 OK 96 96 100 100 2.6-4.5 4.5=100 HA GLN 53 + H ASN 54 OK 50 50 100 100 3.6-3.6 3.6=100 HB3 SER 24 - H SER 66 far 0 60 0 - 7.6-25.9 HB2 SER 24 - H SER 66 far 0 65 0 - 8.0-24.8 HA GLN 47 - H ASN 54 far 0 41 0 - 8.1-8.9 HB2 SER 66 - H ASN 54 far 0 51 0 - 9.4-24.5 HA GLN 53 - H SER 66 far 0 100 0 - 9.9-21.4 Violated in 0 structures by 0.00 A. 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 65 + H SER 66 OK 100 100 100 100 2.1-4.5 4.5=100 * HB3 SER 66 + H SER 66 OK 100 100 100 100 2.5-3.7 4.0=100 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HA GLU 67 + H GLU 67 OK 100 100 100 100 2.3-2.9 3.0=100 HA GLN 63 - H GLU 67 far 0 100 0 - 7.5-12.5 Violated in 0 structures by 0.00 A. Peak 851 from nnoeabs.peaks (2.09, 8.40, 122.42 ppm; 4.40 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLU 67 + H GLU 67 OK 100 100 100 100 2.4-4.1 4.0=100 HB2 GLN 63 - H GLU 67 far 5 98 5 - 5.3-13.8 HB VAL 16 - H GLU 67 far 0 96 0 - 9.2-30.9 Violated in 0 structures by 0.00 A. Peak 852 from nnoeabs.peaks (1.96, 8.40, 122.42 ppm; 3.79 A): 1 out of 2 assignments used, quality = 0.97: * HB3 GLU 67 + H GLU 67 OK 97 100 100 97 2.6-3.8 4.0=85, 2.8/853=45...(4) HD3 ARG 55 - H GLU 67 far 0 96 0 - 8.4-24.9 Violated in 0 structures by 0.00 A. Peak 853 from nnoeabs.peaks (2.28, 8.40, 122.42 ppm; 4.61 A): 1 out of 3 assignments used, quality = 0.97: * HG2 GLU 67 + H GLU 67 OK 97 100 100 97 2.1-4.6 4.9=83, 2.8/852=81 HG3 GLN 26 - H GLU 67 far 0 98 0 - 7.3-28.0 HG2 GLN 26 - H GLU 67 far 0 99 0 - 7.4-27.5 Violated in 0 structures by 0.00 A. Peak 854 from nnoeabs.peaks (2.25, 8.40, 122.42 ppm; 4.85 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLU 67 + H GLU 67 OK 100 100 100 100 2.7-4.8 4.9=96, 2.8/852=86 HB3 GLN 53 - H GLU 67 far 0 65 0 - 9.7-25.2 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * HA LEU 68 + H LEU 68 OK 100 100 100 100 2.3-2.9 3.0=100 HA LEU 64 - H LEU 68 far 0 97 0 - 6.8-12.6 HA ASN 54 - H LEU 68 far 0 99 0 - 9.3-25.5 HA HIS 13 - H LEU 68 far 0 96 0 - 9.5-35.4 Violated in 0 structures by 0.00 A. Peak 857 from nnoeabs.peaks (1.64, 8.14, 122.19 ppm; 3.46 A): 3 out of 6 assignments used, quality = 0.99: * HB2 LEU 68 + H LEU 68 OK 87 100 100 87 2.4-4.0 3.8=76, ~3302=7, ~3303=7...(13) HB3 LEU 68 + H LEU 68 OK 87 100 100 87 2.3-4.1 3.8=76, ~3302=7, ~3303=7...(13) HG LEU 68 + H LEU 68 OK 56 81 100 70 2.1-4.9 4.9=36, 3300/3.0=11...(9) HB2 LEU 64 - H LEU 68 far 0 71 0 - 8.5-13.3 HB3 LEU 64 - H LEU 68 far 0 85 0 - 8.7-12.4 HG LEU 64 - H LEU 68 far 0 100 0 - 9.2-14.5 Violated in 0 structures by 0.00 A. Peak 858 from nnoeabs.peaks (1.63, 8.14, 122.19 ppm; 3.46 A): 3 out of 5 assignments used, quality = 0.99: * HB3 LEU 68 + H LEU 68 OK 87 100 100 87 2.3-4.1 3.8=76, ~3302=7, ~3303=7...(13) HB2 LEU 68 + H LEU 68 OK 86 100 100 87 2.4-4.0 3.8=76, ~3302=7, ~3303=7...(13) HG LEU 68 + H LEU 68 OK 63 90 100 70 2.1-4.9 4.9=36, 3301/3.0=12...(9) HB3 LEU 64 - H LEU 68 far 0 93 0 - 8.7-12.4 HG LEU 64 - H LEU 68 far 0 99 0 - 9.2-14.5 Violated in 0 structures by 0.00 A. Peak 859 from nnoeabs.peaks (1.61, 8.14, 122.19 ppm; 3.79 A): 3 out of 7 assignments used, quality = 1.00: HB3 LEU 68 + H LEU 68 OK 90 90 100 100 2.3-4.1 3.8=100 HB2 LEU 68 + H LEU 68 OK 81 81 100 100 2.4-4.0 3.8=100 * HG LEU 68 + H LEU 68 OK 80 100 100 80 2.1-4.9 4.9=47, 3301/3.0=16...(9) HG2 ARG 61 - H LEU 68 far 0 85 0 - 7.3-20.1 HB3 LEU 64 - H LEU 68 far 0 100 0 - 8.7-12.4 HG3 ARG 61 - H LEU 68 far 0 83 0 - 9.0-19.7 HG LEU 64 - H LEU 68 far 0 73 0 - 9.2-14.5 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 HA3 GLY 69 + H GLY 69 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 HA2 GLY 69 + H GLY 69 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 866 from nnoeabs.peaks (7.51, 7.92, 111.33 ppm; 3.59 A): 1 out of 1 assignment used, quality = 0.98: * H GLN 15 + H THR 14 OK 98 100 100 98 2.4-2.8 15=73, 3358/504=45...(9) Violated in 0 structures by 0.00 A. Peak 867 from nnoeabs.peaks (7.83, 7.51, 120.36 ppm; 3.50 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 16 + H GLN 15 OK 100 100 100 100 2.6-3.0 19=100, 929/866=39...(16) Violated in 0 structures by 0.00 A. Peak 868 from nnoeabs.peaks (8.01, 7.83, 117.36 ppm; 3.40 A): 1 out of 3 assignments used, quality = 1.00: * H ILE 17 + H VAL 16 OK 100 100 100 100 2.5-2.9 27=80, 29/516=53...(13) H LEU 19 - H VAL 16 far 3 68 5 - 4.9-5.3 H LYS 22 - H VAL 16 far 0 83 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 869 from nnoeabs.peaks (7.55, 8.01, 118.34 ppm; 3.37 A): 1 out of 3 assignments used, quality = 0.99: * H GLU 18 + H ILE 17 OK 99 100 100 99 2.6-2.8 32=62, 3370/521=47...(18) QE PHE 52 - H ILE 17 far 0 76 0 - 8.6-9.8 QE PHE 52 - H HIS 36 far 0 36 0 - 8.8-9.9 Violated in 0 structures by 0.00 A. Peak 870 from nnoeabs.peaks (7.98, 7.55, 119.23 ppm; 3.51 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 19 + H GLU 18 OK 100 100 100 100 2.6-2.9 39=100, 943/3.6=39...(15) H ILE 17 + H GLU 18 OK 67 68 100 98 2.6-2.8 869=56, 4.0/3370=39...(17) H LYS 60 - H TYR 57 far 0 76 0 - 5.1-8.3 Violated in 0 structures by 0.00 A. Peak 871 from nnoeabs.peaks (8.41, 7.98, 124.25 ppm; 3.46 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 20 + H LEU 19 OK 100 100 100 100 2.4-2.9 45=79, 950/943=33...(18) H ALA 38 - H LEU 19 far 0 65 0 - 8.6-9.6 H LEU 64 - H LEU 19 far 0 71 0 - 9.4-30.1 Violated in 0 structures by 0.00 A. Peak 872 from nnoeabs.peaks (8.31, 8.41, 118.68 ppm; 3.79 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 21 + H GLU 20 OK 100 100 100 100 2.5-2.9 52=100, 54/541=52...(16) H LYS 62 - H GLU 20 far 0 97 0 - 8.1-21.9 Violated in 0 structures by 0.00 A. Peak 873 from nnoeabs.peaks (8.03, 8.31, 121.06 ppm; 3.39 A): 1 out of 2 assignments used, quality = 0.99: * H LYS 22 + H ARG 21 OK 99 100 100 99 2.7-3.1 58=91, 62/549=32...(10) H ILE 17 - H ARG 21 far 0 83 0 - 6.2-6.7 Violated in 0 structures by 0.00 A. Peak 874 from nnoeabs.peaks (8.99, 8.03, 120.92 ppm; 3.68 A): 1 out of 2 assignments used, quality = 0.99: * H PHE 23 + H LYS 22 OK 99 100 100 99 2.5-3.0 66=88, 4.3/555=43...(9) H SER 30 - H LYS 22 far 0 90 0 - 9.8-11.9 Violated in 0 structures by 0.00 A. Peak 875 from nnoeabs.peaks (8.13, 8.99, 121.58 ppm; 4.20 A): 1 out of 2 assignments used, quality = 1.00: * H SER 24 + H PHE 23 OK 100 100 100 100 2.5-2.7 76=100, 962/874=57...(8) H LYS 27 - H PHE 23 far 0 99 0 - 7.9-8.5 Violated in 0 structures by 0.00 A. Peak 876 from nnoeabs.peaks (7.63, 8.13, 111.74 ppm; 3.92 A): 1 out of 2 assignments used, quality = 0.97: * H HIS 25 + H SER 24 OK 97 100 100 97 2.3-2.8 82=89, 4.4/571=25...(6) HE22 GLN 26 - H SER 24 far 0 97 0 - 6.8-9.8 Violated in 0 structures by 0.00 A. Peak 877 from nnoeabs.peaks (8.51, 7.63, 118.44 ppm; 3.45 A): 1 out of 2 assignments used, quality = 0.91: * H GLN 26 + H HIS 25 OK 91 100 100 91 2.3-2.7 86=68, 89/576=37...(8) H LEU 29 - H HIS 25 far 0 100 0 - 7.9-10.0 Violated in 0 structures by 0.00 A. Peak 878 from nnoeabs.peaks (8.12, 8.51, 121.11 ppm; 4.50 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 27 + H GLN 26 OK 100 100 100 100 4.2-4.4 92/2.9=91, 4.6=91...(6) H SER 24 + H GLN 26 OK 88 99 100 89 3.8-4.5 876/877=66, 3.6/4186=66 Violated in 0 structures by 0.00 A. Peak 879 from nnoeabs.peaks (7.50, 8.12, 119.98 ppm; 3.30 A): 1 out of 2 assignments used, quality = 0.95: * H TYR 28 + H LYS 27 OK 95 100 100 95 2.2-2.7 99=62, 4.1/589=36...(10) QE PHE 52 - H LYS 27 far 0 68 0 - 5.5-6.5 Violated in 0 structures by 0.00 A. Peak 883 from nnoeabs.peaks (8.73, 7.21, 117.78 ppm; 3.55 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 34 + H GLU 33 OK 100 100 100 100 2.6-3.1 133=100, 3455/4.0=37...(14) Violated in 0 structures by 0.00 A. Peak 884 from nnoeabs.peaks (8.15, 8.73, 121.67 ppm; 3.20 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 35 + H ARG 34 OK 100 100 100 100 2.5-2.9 139=100, 141/624=45...(16) H THR 46 - H ARG 34 far 0 98 0 - 9.5-11.7 Violated in 0 structures by 0.00 A. Peak 885 from nnoeabs.peaks (7.99, 8.15, 120.97 ppm; 3.35 A): 1 out of 2 assignments used, quality = 1.00: * H HIS 36 + H ALA 35 OK 100 100 100 100 2.7-2.9 147=100, 149/632=64...(9) H ASN 40 - H ALA 35 far 0 63 0 - 7.6-7.9 Violated in 0 structures by 0.00 A. Peak 886 from nnoeabs.peaks (8.07, 7.99, 118.30 ppm; 2.92 A): 1 out of 2 assignments used, quality = 0.87: * H LEU 37 + H HIS 36 OK 87 100 100 87 2.7-2.9 150=46, 989/147=30...(9) H LEU 41 - H HIS 36 far 0 97 0 - 7.9-8.2 Violated in 0 structures by 0.00 A. Peak 887 from nnoeabs.peaks (8.44, 8.07, 120.69 ppm; 3.16 A): 1 out of 1 assignment used, quality = 0.99: * H ALA 38 + H LEU 37 OK 99 100 100 99 2.7-2.9 155=54, 158/641=47...(20) Violated in 0 structures by 0.00 A. Peak 888 from nnoeabs.peaks (7.67, 8.44, 119.33 ppm; 3.19 A): 1 out of 4 assignments used, quality = 1.00: * H LYS 39 + H ALA 38 OK 100 100 100 100 2.8-3.1 162=99, 164/1982=54...(14) H VAL 48 - H ALA 38 far 0 98 0 - 5.8-7.1 HE22 GLN 26 - H ALA 38 far 0 60 0 - 9.8-12.1 HE22 GLN 47 - H ALA 38 far 0 99 0 - 9.9-11.4 Violated in 0 structures by 0.00 A. Peak 889 from nnoeabs.peaks (8.02, 7.67, 116.42 ppm; 3.15 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 40 + H LYS 39 OK 100 100 100 100 2.6-2.8 165=94, 1004/888=28...(19) H HIS 36 - H LYS 39 far 0 63 0 - 4.8-5.1 Violated in 0 structures by 0.00 A. Peak 890 from nnoeabs.peaks (8.06, 8.02, 117.69 ppm; 2.40 A): 1 out of 3 assignments used, quality = 0.95: * H LEU 41 + H ASN 40 OK 95 100 100 95 2.5-2.6 175=77, 3489/3.0=24...(17) H LEU 37 - H ASN 40 far 0 97 0 - 4.5-4.7 H LYS 22 - H ASN 40 far 0 65 0 - 9.5-11.1 Violated in 20 structures by 0.12 A. Peak 891 from nnoeabs.peaks (7.90, 8.06, 116.05 ppm; 3.42 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 42 + H LEU 41 OK 100 100 100 100 2.3-2.6 181=100, 183/666=37...(11) Violated in 0 structures by 0.00 A. Peak 892 from nnoeabs.peaks (8.33, 7.90, 117.73 ppm; 3.21 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 43 + H LYS 42 OK 100 100 100 100 2.5-2.8 188=98, 189/672=56...(13) Violated in 0 structures by 0.00 A. 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 100 100 100 100 4.4-4.5 4.5=100 Violated in 0 structures by 0.00 A. Peak 895 from nnoeabs.peaks (8.14, 9.24, 121.30 ppm; 4.17 A): 1 out of 2 assignments used, quality = 1.00: * H THR 46 + H GLU 45 OK 100 100 100 100 2.7-2.7 209=100, 4799/207=72...(9) H ALA 35 - H GLU 45 far 0 98 0 - 6.5-8.8 Violated in 0 structures by 0.00 A. Peak 896 from nnoeabs.peaks (8.05, 8.14, 115.25 ppm; 3.51 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 47 + H THR 46 OK 100 100 100 100 2.3-2.6 215=99, 217/700=52...(7) H LEU 37 - H THR 46 far 0 92 0 - 9.8-11.5 Violated in 0 structures by 0.00 A. Peak 897 from nnoeabs.peaks (7.68, 8.05, 120.26 ppm; 3.34 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 48 + H GLN 47 OK 100 100 100 100 2.5-2.7 219=75, 221/704=41...(14) HE22 GLN 47 - H GLN 47 far 0 90 0 - 4.9-6.0 H LYS 39 - H GLN 47 far 0 98 0 - 8.5-9.6 Violated in 0 structures by 0.00 A. Peak 898 from nnoeabs.peaks (8.54, 7.68, 118.72 ppm; 3.49 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 49 + H VAL 48 OK 100 100 100 100 2.8-2.9 227=98, 229/712=55...(8) Violated in 0 structures by 0.00 A. Peak 899 from nnoeabs.peaks (8.69, 8.54, 121.11 ppm; 3.74 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 50 + H LYS 49 OK 100 100 100 100 2.6-2.9 232=100, 3534/717=51...(11) Violated in 0 structures by 0.00 A. Peak 900 from nnoeabs.peaks (8.27, 8.69, 119.98 ppm; 3.68 A): 1 out of 2 assignments used, quality = 1.00: * H TRP 51 + H ILE 50 OK 100 100 100 100 2.7-3.0 242=100, 244/727=59...(12) H ASN 54 - H ILE 50 far 0 60 0 - 5.8-6.2 Violated in 0 structures by 0.00 A. Peak 901 from nnoeabs.peaks (8.94, 8.27, 121.67 ppm; 3.69 A): 1 out of 1 assignment used, quality = 0.99: * H PHE 52 + H TRP 51 OK 99 100 100 99 2.7-3.0 249=72, 4.3/735=45...(9) Violated in 0 structures by 0.00 A. Peak 902 from nnoeabs.peaks (8.03, 8.94, 119.28 ppm; 3.75 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 53 + H PHE 52 OK 100 100 100 100 2.5-2.8 259=100, 4.4/747=39...(12) H GLN 47 - H PHE 52 far 0 87 0 - 7.8-8.2 H LYS 22 - H PHE 52 far 0 100 0 - 9.4-10.5 Violated in 0 structures by 0.00 A. Peak 903 from nnoeabs.peaks (8.29, 8.03, 118.15 ppm; 3.29 A): 2 out of 2 assignments used, quality = 1.00: * H ASN 54 + H GLN 53 OK 100 100 100 100 2.7-2.9 265=97, 267/750=48...(14) H TRP 51 + H GLN 53 OK 47 60 100 79 3.8-4.0 3.6/3803=34, 4.6/259=28...(10) Violated in 0 structures by 0.00 A. Peak 904 from nnoeabs.peaks (8.07, 8.29, 117.45 ppm; 3.33 A): 1 out of 1 assignment used, quality = 0.98: * H ARG 55 + H ASN 54 OK 98 100 100 98 2.7-3.0 273=85, 276/759=41...(7) Violated in 0 structures by 0.00 A. Peak 905 from nnoeabs.peaks (7.75, 8.07, 122.80 ppm; 3.65 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 56 + H ARG 55 OK 100 100 100 100 2.4-3.1 279=100, 281/764=38...(7) QD PHE 52 - H ARG 55 far 0 100 0 - 5.6-6.2 H THR 59 - H ARG 55 far 0 78 0 - 6.0-7.1 Violated in 0 structures by 0.00 A. Peak 906 from nnoeabs.peaks (7.56, 7.75, 117.78 ppm; 3.74 A): 1 out of 1 assignment used, quality = 0.94: * H TYR 57 + H ARG 56 OK 94 100 100 94 2.4-2.8 287=65, 290/773=50...(9) Violated in 0 structures by 0.00 A. Peak 907 from nnoeabs.peaks (7.68, 7.56, 119.05 ppm; 3.64 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 58 + H TYR 57 OK 100 100 100 100 2.6-2.9 295=92, 3843/3.6=45...(11) Violated in 0 structures by 0.00 A. Peak 908 from nnoeabs.peaks (7.72, 7.68, 119.80 ppm; 2.95 A): 2 out of 3 assignments used, quality = 0.92: * H THR 59 + H LYS 58 OK 88 100 100 88 2.3-2.7 301=49, 302/3.0=27...(10) H ARG 56 + H LYS 58 OK 35 78 65 69 3.9-4.8 3.0/3843=34, 4.6/907=21...(6) QD PHE 52 - H LYS 58 far 0 78 0 - 9.4-10.3 Violated in 0 structures by 0.00 A. Peak 909 from nnoeabs.peaks (7.98, 7.72, 113.00 ppm; 4.59 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 60 + H THR 59 OK 100 100 100 100 2.2-4.6 4.6=97, 4.1/797=63...(7) Violated in 1 structures by 0.00 A. 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 100 100 100 100 2.1-4.6 4.6=100 Violated in 0 structures by 0.00 A. Peak 912 from nnoeabs.peaks (8.38, 8.30, 122.70 ppm; 6.00 A): 2 out of 4 assignments used, quality = 1.00: * H GLN 63 + H LYS 62 OK 100 100 100 100 2.5-4.6 4.6=100 H LEU 64 + H LYS 62 OK 61 98 85 73 4.5-8.1 3617/4.0=30, 914/4.6=29...(8) H SER 65 - H LYS 62 lone 6 81 35 20 5.1-9.3 351/4.6=10, 3617/4.0=3 H GLU 67 - H LYS 62 far 4 73 5 - 6.1-14.3 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 0.80: * H SER 65 + H LEU 64 OK 70 100 100 70 2.0-3.4 351=42, 4.4/837=12...(12) H GLN 63 + H LEU 64 OK 33 81 55 74 2.1-4.6 3.0/344=35, 4.6=20...(15) Violated in 0 structures by 0.00 A. Peak 917 from nnoeabs.peaks (8.14, 8.40, 122.42 ppm; 4.42 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 68 + H GLU 67 OK 100 100 100 100 1.9-4.2 366=100, 367/3.0=82...(9) H LYS 27 - H GLU 67 far 0 78 0 - 7.6-24.9 H SER 24 - H GLU 67 far 0 92 0 - 8.3-27.0 H ARG 61 - H GLU 67 far 0 57 0 - 9.1-16.8 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-4.6 4.6=100 Violated in 0 structures by 0.00 A. Peak 920 from nnoeabs.peaks (7.51, 999.00, 999.00 ppm; 6.00 A): 0 out of 0 assignments used, 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 = 1.00: * H VAL 16 + H THR 14 OK 100 100 100 100 3.8-5.0 929=100, 19/866=74...(7) Violated in 5 structures by 0.05 A. Peak 924 from nnoeabs.peaks (4.38, 7.51, 120.36 ppm; 4.78 A): 2 out of 2 assignments used, quality = 1.00: * HA HIS 13 + H GLN 15 OK 99 100 100 99 4.0-5.0 3.6/866=77, 3661/19=67...(7) HB2 SER 12 + H GLN 15 OK 99 100 100 99 2.1-4.1 4741/866=66, 1.8/4803=58...(13) Violated in 0 structures by 0.00 A. Peak 927 from nnoeabs.peaks (8.01, 7.51, 120.36 ppm; 5.03 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 17 + H GLN 15 OK 100 100 100 100 3.9-4.2 934=100, 868/19=86...(11) H LEU 19 - H GLN 15 poor 17 68 25 - 6.2-7.2 Violated in 0 structures by 0.00 A. Peak 928 from nnoeabs.peaks (3.81, 7.83, 117.36 ppm; 4.17 A): 2 out of 2 assignments used, quality = 1.00: * HA THR 14 + H VAL 16 OK 99 100 100 99 4.0-5.0 3.6/19=64, 3.0/929=63...(8) HA GLN 15 + H VAL 16 OK 85 85 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 929 from nnoeabs.peaks (7.92, 7.83, 117.36 ppm; 4.07 A): 1 out of 1 assignment used, quality = 0.98: * H THR 14 + H VAL 16 OK 98 100 100 98 3.8-5.0 923=70, 866/19=62...(7) Violated in 18 structures by 0.37 A. Peak 930 from nnoeabs.peaks (4.38, 7.83, 117.36 ppm; 4.24 A): 2 out of 3 assignments used, quality = 1.00: * HA HIS 13 + H VAL 16 OK 100 100 100 100 3.4-4.4 3661=92, 3662/516=73...(7) HB2 SER 12 + H VAL 16 OK 80 100 95 84 3.2-5.8 4741/929=48, 924/19=24...(11) HA LEU 64 - H VAL 16 far 0 100 0 - 9.0-32.1 Violated in 0 structures by 0.00 A. Peak 932 from nnoeabs.peaks (7.55, 7.83, 117.36 ppm; 4.35 A): 1 out of 2 assignments used, quality = 0.98: * H GLU 18 + H VAL 16 OK 98 100 100 98 4.1-4.7 869/868=73, 3671/3.6=56...(9) QE PHE 52 - H VAL 16 far 0 76 0 - 8.8-10.2 Violated in 19 structures by 0.18 A. Peak 933 from nnoeabs.peaks (3.79, 8.01, 118.34 ppm; 3.70 A): 3 out of 4 assignments used, quality = 1.00: * HA GLN 15 + H ILE 17 OK 95 100 100 95 4.0-4.6 3.6/868=53, 3.0/934=47...(12) HA THR 14 + H ILE 17 OK 84 85 100 99 3.3-3.7 3666=53, 3667/521=46...(10) HA ARG 34 + H HIS 36 OK 46 56 100 83 4.4-5.0 3.6/885=40, 990/4.7=33...(6) HD3 PRO 32 - H HIS 36 far 0 55 0 - 6.8-7.8 Violated in 0 structures by 0.00 A. Peak 934 from nnoeabs.peaks (7.51, 8.01, 118.34 ppm; 4.25 A): 1 out of 3 assignments used, quality = 0.99: * H GLN 15 + H ILE 17 OK 99 100 100 99 3.9-4.2 19/868=69, 927=61...(11) QE PHE 52 - H ILE 17 far 0 78 0 - 8.6-9.8 QE PHE 52 - H HIS 36 far 0 38 0 - 8.8-9.9 Violated in 0 structures by 0.00 A. Peak 935 from nnoeabs.peaks (3.81, 8.01, 118.34 ppm; 3.69 A): 3 out of 4 assignments used, quality = 1.00: * HA THR 14 + H ILE 17 OK 100 100 100 100 3.3-3.7 3666=68, 3667/521=60...(10) HA GLN 15 + H ILE 17 OK 80 85 100 94 4.0-4.6 3.6/868=52, 3.0/934=47...(12) HA ARG 34 + H HIS 36 OK 28 36 100 77 4.4-5.0 3.6/885=40, 2.9/977=30...(5) HD3 PRO 32 - H HIS 36 far 0 49 0 - 6.8-7.8 Violated in 0 structures by 0.00 A. Peak 936 from nnoeabs.peaks (4.38, 8.01, 118.34 ppm; 4.27 A): 2 out of 6 assignments used, quality = 0.99: * HA HIS 13 + H ILE 17 OK 98 100 100 98 4.5-5.3 3662/29=70, 3661/868=56...(6) HA PRO 32 + H HIS 36 OK 48 55 100 88 3.7-4.7 3729/3.7=68, 980/885=47 HB2 SER 12 - H ILE 17 far 5 100 5 - 5.5-7.8 HA LEU 64 - H ILE 17 far 0 100 0 - 6.9-31.1 HA ASN 40 - H HIS 36 far 0 56 0 - 8.2-8.6 HA LYS 22 - H HIS 36 far 0 35 0 - 9.6-10.8 Violated in 1 structures by 0.00 A. Peak 938 from nnoeabs.peaks (3.23, 7.55, 119.23 ppm; 5.02 A): 3 out of 4 assignments used, quality = 1.00: * HA VAL 16 + H GLU 18 OK 100 100 100 100 4.2-4.8 28/869=86, 4042=81...(9) HD3 ARG 21 + H GLU 18 OK 98 98 100 100 4.4-6.3 4139/3.0=76, 4137/35=62...(12) HD2 ARG 21 + H GLU 18 OK 52 71 75 98 4.2-7.5 ~4139=57, 4140/3.0=43...(12) HB2 HIS 13 - H GLU 18 far 0 95 0 - 7.6-8.8 Violated in 0 structures by 0.00 A. Peak 940 from nnoeabs.peaks (3.79, 7.55, 119.23 ppm; 4.36 A): 2 out of 3 assignments used, quality = 1.00: * HA GLN 15 + H GLU 18 OK 100 100 100 100 3.3-3.8 3671=100, 3.6/932=56...(15) HA THR 14 + H GLU 18 OK 84 85 100 99 4.1-5.2 3669=63, 3667/3370=51...(11) HA ILE 50 - H TYR 57 far 0 56 0 - 7.7-8.8 Violated in 0 structures by 0.00 A. Peak 941 from nnoeabs.peaks (3.81, 7.55, 119.23 ppm; 4.40 A): 2 out of 2 assignments used, quality = 1.00: * HA THR 14 + H GLU 18 OK 100 100 100 100 4.1-5.2 3669=83, 3667/3370=66...(11) HA GLN 15 + H GLU 18 OK 85 85 100 100 3.3-3.8 3671=77, 3.6/932=57...(15) Violated in 0 structures by 0.00 A. Peak 942 from nnoeabs.peaks (8.41, 7.55, 119.23 ppm; 5.01 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 20 + H GLU 18 OK 100 100 100 100 4.1-4.7 871/39=85, 950/3.6=75...(15) H LEU 64 - H TYR 57 far 2 47 5 - 5.9-17.9 H GLU 67 - H TYR 57 far 0 71 0 - 9.9-20.3 Violated in 0 structures by 0.00 A. Peak 943 from nnoeabs.peaks (3.69, 7.98, 124.25 ppm; 4.11 A): 1 out of 1 assignment used, quality = 0.98: * HA ILE 17 + H LEU 19 OK 98 100 100 98 3.9-4.8 3.6/39=63, 950/871=55...(10) Violated in 14 structures by 0.16 A. Peak 945 from nnoeabs.peaks (3.23, 7.98, 124.25 ppm; 4.03 A): 1 out of 5 assignments used, quality = 0.99: * HA VAL 16 + H LEU 19 OK 99 100 100 99 3.3-3.8 4769/538=49, 3678=48...(11) HD2 ARG 21 - H LEU 19 poor 18 71 25 - 5.0-8.1 HD3 ARG 21 - H LEU 19 far 10 98 10 - 5.1-7.2 HB2 HIS 13 - H LEU 19 far 0 95 0 - 9.6-10.5 HB2 HIS 10 - H LEU 19 far 0 73 0 - 9.9-13.9 Violated in 0 structures by 0.00 A. Peak 946 from nnoeabs.peaks (3.79, 7.98, 124.25 ppm; 5.05 A): 1 out of 3 assignments used, quality = 0.99: * HA GLN 15 + H LEU 19 OK 99 100 100 99 4.2-5.3 3671/39=73, 4.8/945=59...(8) HA THR 14 - H LEU 19 far 0 85 0 - 6.6-7.6 HA ARG 34 - H LEU 19 far 0 100 0 - 9.8-11.1 Violated in 5 structures by 0.04 A. Peak 947 from nnoeabs.peaks (8.31, 7.98, 124.25 ppm; 4.76 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 21 + H LEU 19 OK 100 100 100 100 3.8-4.4 52/871=81, 3692/3.6=72...(10) H LEU 43 - H LEU 19 far 0 89 0 - 9.0-10.2 H LYS 62 - H LEU 19 far 0 97 0 - 9.8-24.2 Violated in 0 structures by 0.00 A. Peak 948 from nnoeabs.peaks (4.19, 8.41, 118.68 ppm; 3.83 A): 2 out of 2 assignments used, quality = 0.99: * HA GLU 18 + H GLU 20 OK 96 100 100 96 4.0-4.9 3.6/871=55, 3692/52=52...(15) HA GLU 20 + H GLU 20 OK 65 65 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 949 from nnoeabs.peaks (7.55, 8.41, 118.68 ppm; 4.99 A): 2 out of 3 assignments used, quality = 1.00: * H GLU 18 + H GLU 20 OK 100 100 100 100 4.1-4.7 942=99, 39/871=85...(15) QE PHE 52 + H GLU 20 OK 50 76 100 66 5.4-6.2 4099/50=47, 4102/3.6=27...(4) HE21 GLN 63 - H GLU 20 far 0 83 0 - 7.7-26.5 Violated in 0 structures by 0.00 A. Peak 950 from nnoeabs.peaks (3.69, 8.41, 118.68 ppm; 4.04 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 17 + H GLU 20 OK 100 100 100 100 3.1-3.8 3685=77, 3689/542=58...(11) Violated in 0 structures by 0.00 A. Peak 951 from nnoeabs.peaks (3.23, 8.41, 118.68 ppm; 4.61 A): 3 out of 3 assignments used, quality = 1.00: * HA VAL 16 + H GLU 20 OK 100 100 100 100 4.2-5.1 3683=75, 945/871=68...(12) HD3 ARG 21 + H GLU 20 OK 36 98 45 83 4.5-6.9 552/52=54, 4139/3691=43...(4) HD2 ARG 21 + H GLU 20 OK 28 71 60 66 4.6-7.5 6.3/52=36, 4140/3691=24...(4) Violated in 2 structures by 0.00 A. Peak 952 from nnoeabs.peaks (8.03, 8.41, 118.68 ppm; 3.90 A): 2 out of 3 assignments used, quality = 0.99: * H LYS 22 + H GLU 20 OK 97 100 100 97 4.0-4.8 873/52=61, 959=58...(7) H ILE 17 + H GLU 20 OK 74 83 100 90 4.8-5.1 3.0/950=56, 3.6/3683=36...(8) H LEU 41 - H GLU 20 far 0 65 0 - 9.5-11.3 Violated in 19 structures by 0.31 A. Peak 953 from nnoeabs.peaks (3.64, 8.31, 121.06 ppm; 5.13 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 19 + H ARG 21 OK 100 100 100 100 4.1-4.7 3.6/52=87, 3699/873=81...(7) HA VAL 48 - H ARG 21 far 0 97 0 - 9.7-11.0 Violated in 0 structures by 0.00 A. Peak 954 from nnoeabs.peaks (7.98, 8.31, 121.06 ppm; 5.16 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 19 + H ARG 21 OK 100 100 100 100 3.8-4.4 947=100, 871/52=89...(10) H ILE 17 + H ARG 21 OK 64 68 95 98 6.2-6.7 3.0/956=81, 4.0/4135=64...(7) Violated in 0 structures by 0.00 A. Peak 955 from nnoeabs.peaks (4.19, 8.31, 121.06 ppm; 3.56 A): 2 out of 2 assignments used, quality = 1.00: * HA GLU 18 + H ARG 21 OK 99 100 100 99 3.2-3.8 3692=77, 3.0/4134=35...(15) HA GLU 20 + H ARG 21 OK 65 65 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 956 from nnoeabs.peaks (3.69, 8.31, 121.06 ppm; 4.42 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 17 + H ARG 21 OK 100 100 100 100 4.0-4.9 950/52=64, 3690=64...(12) Violated in 10 structures by 0.12 A. Peak 958 from nnoeabs.peaks (4.22, 8.03, 120.92 ppm; 4.57 A): 2 out of 3 assignments used, quality = 1.00: * HA GLU 20 + H LYS 22 OK 100 100 100 100 4.0-5.0 3.6/873=75, 3705=68...(6) HA GLU 18 + H LYS 22 OK 55 65 100 84 3.8-4.6 3692/873=37, 3697=30...(6) HA ARG 61 - H LYS 22 far 0 78 0 - 9.3-22.1 Violated in 0 structures by 0.00 A. Peak 959 from nnoeabs.peaks (8.41, 8.03, 120.92 ppm; 4.66 A): 1 out of 2 assignments used, quality = 0.99: * H GLU 20 + H LYS 22 OK 99 100 100 99 4.0-4.8 52/873=80, 3.6/3699=69...(8) H ALA 38 - H LYS 22 far 0 65 0 - 8.7-9.7 Violated in 8 structures by 0.03 A. Peak 960 from nnoeabs.peaks (3.64, 8.03, 120.92 ppm; 4.23 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 19 + H LYS 22 OK 100 100 100 100 3.6-4.3 3699=100, 3702/556=53...(10) HA VAL 48 - H LYS 22 far 0 97 0 - 8.9-9.9 HA ALA 38 - H LYS 22 far 0 65 0 - 9.4-10.5 Violated in 1 structures by 0.00 A. Peak 961 from nnoeabs.peaks (4.19, 8.03, 120.92 ppm; 4.37 A): 2 out of 2 assignments used, quality = 0.99: * HA GLU 18 + H LYS 22 OK 97 100 100 97 3.8-4.6 3692/873=65, 3697=57...(6) HA GLU 20 + H LYS 22 OK 64 65 100 97 4.0-5.0 3.6/873=71, 3.0/959=58...(6) Violated in 0 structures by 0.00 A. Peak 962 from nnoeabs.peaks (8.13, 8.03, 120.92 ppm; 3.92 A): 1 out of 1 assignment used, quality = 0.88: * H SER 24 + H LYS 22 OK 88 100 100 88 3.8-4.3 76/874=49, 3713/3.6=46...(6) Violated in 18 structures by 0.14 A. Peak 965 from nnoeabs.peaks (4.22, 8.99, 121.58 ppm; 4.72 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 20 + H PHE 23 OK 100 100 100 100 3.2-3.8 3706=100, 3707/565=70...(8) HA GLU 18 - H PHE 23 far 3 65 5 - 6.2-7.1 HA ARG 61 - H PHE 23 far 0 78 0 - 7.1-19.4 Violated in 0 structures by 0.00 A. Peak 967 from nnoeabs.peaks (4.35, 8.13, 111.74 ppm; 5.89 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 22 + H SER 24 OK 100 100 100 100 3.8-4.8 2.9/962=97, 3.6/76=92...(6) HA LEU 64 - H SER 24 far 0 76 0 - 9.1-25.6 Violated in 0 structures by 0.00 A. Peak 969 from nnoeabs.peaks (4.07, 8.13, 111.74 ppm; 3.41 A): 2 out of 4 assignments used, quality = 1.00: HA SER 24 + H SER 24 OK 99 99 100 100 2.7-2.9 3.0=100 * HA ARG 21 + H SER 24 OK 85 100 100 85 3.4-3.8 3713=49, 3.6/962=38...(8) HA ARG 56 - H SER 24 far 0 98 0 - 9.2-10.8 HA LEU 37 - H SER 24 far 0 97 0 - 9.8-11.5 Violated in 0 structures by 0.00 A. Peak 970 from nnoeabs.peaks (4.22, 8.13, 111.74 ppm; 5.11 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 20 + H SER 24 OK 100 100 100 100 3.7-4.9 3707/78=76, 3709/79=67...(6) HA ARG 61 - H SER 24 far 4 78 5 - 5.7-18.7 HA GLU 18 - H SER 24 far 0 65 0 - 7.6-8.1 Violated in 0 structures by 0.00 A. Peak 972 from nnoeabs.peaks (4.21, 7.21, 117.78 ppm; 5.35 A): 2 out of 2 assignments used, quality = 1.00: * HA ALA 31 + H GLU 33 OK 100 100 100 100 4.5-5.0 3720/133=78, 3.8/131=76...(9) HB3 SER 30 + H GLU 33 OK 94 95 100 99 2.2-4.5 4265/131=69, 4.0/4300=69...(10) Violated in 0 structures by 0.00 A. Peak 974 from nnoeabs.peaks (8.15, 7.21, 117.78 ppm; 4.86 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 35 + H GLU 33 OK 100 100 100 100 4.0-4.4 979=100, 139/133=88...(12) Violated in 0 structures by 0.00 A. Peak 976 from nnoeabs.peaks (4.21, 8.73, 121.67 ppm; 4.21 A): 2 out of 2 assignments used, quality = 1.00: * HA ALA 31 + H ARG 34 OK 100 100 100 100 4.0-4.5 3720=80, 3722/624=69...(10) HB3 SER 30 + H ARG 34 OK 74 95 100 79 3.9-5.6 4.0/4828=43...(8) Violated in 1 structures by 0.00 A. Peak 977 from nnoeabs.peaks (7.99, 8.73, 121.67 ppm; 4.67 A): 1 out of 2 assignments used, quality = 1.00: * H HIS 36 + H ARG 34 OK 100 100 100 100 4.2-4.8 984=100, 147/139=85...(6) H ASN 40 - H ARG 34 far 0 63 0 - 9.2-9.5 Violated in 2 structures by 0.01 A. Peak 978 from nnoeabs.peaks (4.07, 8.15, 120.97 ppm; 5.18 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 33 + H ALA 35 OK 100 100 100 100 4.1-4.7 3731=100, 3.6/139=90...(9) HA LEU 37 - H ALA 35 far 0 96 0 - 6.8-7.1 HA LYS 39 - H ALA 35 far 0 97 0 - 8.1-8.8 Violated in 0 structures by 0.00 A. Peak 979 from nnoeabs.peaks (7.21, 8.15, 120.97 ppm; 4.61 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 33 + H ALA 35 OK 100 100 100 100 4.0-4.4 974=85, 133/139=83...(12) Violated in 0 structures by 0.00 A. Peak 980 from nnoeabs.peaks (4.38, 8.15, 120.97 ppm; 3.82 A): 1 out of 1 assignment used, quality = 1.00: * HA PRO 32 + H ALA 35 OK 100 100 100 100 3.3-3.8 3727=75, 3729/632=75...(12) Violated in 0 structures by 0.00 A. Peak 981 from nnoeabs.peaks (4.21, 8.15, 120.97 ppm; 4.67 A): 2 out of 2 assignments used, quality = 1.00: * HA ALA 31 + H ALA 35 OK 100 100 100 100 4.3-5.1 3725=99, 3722/141=77...(9) HB3 SER 30 + H ALA 35 OK 20 95 30 72 5.9-7.8 4269/4284=36, 976/139=30...(6) Violated in 6 structures by 0.04 A. Peak 983 from nnoeabs.peaks (3.79, 7.99, 118.30 ppm; 4.55 A): 3 out of 4 assignments used, quality = 1.00: * HA ARG 34 + H HIS 36 OK 100 100 100 100 4.4-5.0 3.6/147=77, 990/886=74...(6) HA GLN 15 + H ILE 17 OK 54 56 100 96 4.0-4.6 3.6/868=56, 3671/4.6=48...(12) HA THR 14 + H ILE 17 OK 36 36 100 99 3.3-3.7 4075/4.0=54, 3666=49...(11) HD3 PRO 32 - H HIS 36 far 0 97 0 - 6.8-7.8 Violated in 0 structures by 0.00 A. Peak 984 from nnoeabs.peaks (8.73, 7.99, 118.30 ppm; 4.44 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 34 + H HIS 36 OK 100 100 100 100 4.2-4.8 977=86, 139/147=80...(6) Violated in 11 structures by 0.07 A. Peak 985 from nnoeabs.peaks (4.07, 7.99, 118.30 ppm; 3.82 A): 1 out of 5 assignments used, quality = 0.97: * HA GLU 33 + H HIS 36 OK 97 100 100 97 3.5-3.9 3732=67, 3.6/984=42...(7) HA LEU 37 - H HIS 36 far 5 96 5 - 5.3-5.5 HB THR 14 - H ILE 17 far 5 30 15 - 5.0-5.7 HA LYS 39 - H HIS 36 far 0 97 0 - 7.3-7.6 HA ARG 21 - H ILE 17 far 0 57 0 - 8.6-9.3 Violated in 5 structures by 0.02 A. Peak 986 from nnoeabs.peaks (4.38, 7.99, 118.30 ppm; 4.67 A): 2 out of 5 assignments used, quality = 0.99: * HA PRO 32 + H HIS 36 OK 98 100 100 98 3.7-4.7 3729/149=88, 980/147=75 HA HIS 13 + H ILE 17 OK 54 55 100 98 4.5-5.3 3662/4.4=62, 3661/4.5=51...(6) HB2 SER 12 - H ILE 17 far 8 54 15 - 5.5-7.8 HA LEU 64 - H ILE 17 far 0 54 0 - 6.9-31.1 HA ASN 40 - H HIS 36 far 0 98 0 - 8.2-8.6 Violated in 0 structures by 0.00 A. Peak 987 from nnoeabs.peaks (8.44, 7.99, 118.30 ppm; 4.23 A): 2 out of 2 assignments used, quality = 0.99: * H ALA 38 + H HIS 36 OK 99 100 100 99 4.5-4.9 887/886=81, 995/3.6=58...(9) H GLU 20 + H ILE 17 OK 25 30 100 84 4.8-5.1 3685/3.0=38, 3683/3.6=28...(11) Violated in 17 structures by 0.05 A. Peak 988 from nnoeabs.peaks (3.98, 8.07, 120.69 ppm; 5.31 A): 1 out of 3 assignments used, quality = 1.00: * HA ALA 35 + H LEU 37 OK 100 100 100 100 4.0-4.5 3745=99, 3.6/886=95...(8) HB2 SER 30 - H LEU 37 far 0 60 0 - 8.3-11.4 HA LYS 42 - H LEU 37 far 0 100 0 - 9.2-9.8 Violated in 0 structures by 0.00 A. Peak 989 from nnoeabs.peaks (8.15, 8.07, 120.69 ppm; 3.87 A): 1 out of 2 assignments used, quality = 0.95: * H ALA 35 + H LEU 37 OK 95 100 100 95 4.0-4.4 147/886=70, 3.6/990=48...(8) H THR 46 - H LEU 37 far 0 98 0 - 9.8-11.5 Violated in 20 structures by 0.29 A. Peak 990 from nnoeabs.peaks (3.79, 8.07, 120.69 ppm; 4.03 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 34 + H LEU 37 OK 100 100 100 100 3.4-3.8 3739=76, 3743/641=56...(14) HD3 PRO 32 - H LEU 37 far 0 97 0 - 8.6-9.9 Violated in 0 structures by 0.00 A. Peak 991 from nnoeabs.peaks (4.07, 8.07, 120.69 ppm; 3.25 A): 2 out of 3 assignments used, quality = 0.99: HA LEU 37 + H LEU 37 OK 96 96 100 100 2.8-2.9 3.0=100 * HA GLU 33 + H LEU 37 OK 67 100 85 79 4.2-5.1 985/886=42, 3737=34...(5) HA LYS 39 - H LEU 37 far 0 97 0 - 6.6-7.0 Violated in 0 structures by 0.00 A. Peak 992 from nnoeabs.peaks (7.67, 8.07, 120.69 ppm; 4.66 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 39 + H LEU 37 OK 100 100 100 100 3.9-4.5 888/887=86, 1000/3.6=68...(12) HE22 GLN 26 - H LEU 37 far 0 60 0 - 8.0-10.7 H VAL 48 - H LEU 37 far 0 98 0 - 8.2-9.5 Violated in 0 structures by 0.00 A. Peak 993 from nnoeabs.peaks (4.32, 8.44, 119.33 ppm; 4.71 A): 1 out of 3 assignments used, quality = 1.00: * HA HIS 36 + H ALA 38 OK 100 100 100 100 4.9-5.3 3.6/887=82, 1000/888=75...(9) HA LEU 41 - H ALA 38 far 0 76 0 - 7.1-7.5 HA LYS 49 - H ALA 38 far 0 97 0 - 8.5-9.8 Violated in 20 structures by 0.44 A. Peak 994 from nnoeabs.peaks (7.99, 8.44, 119.33 ppm; 4.55 A): 2 out of 3 assignments used, quality = 1.00: * H HIS 36 + H ALA 38 OK 100 100 100 100 4.5-4.9 886/887=88, 987=80...(9) H ASN 40 + H ALA 38 OK 62 63 100 99 4.1-4.3 4.7/888=60, 1004=49...(13) H LEU 19 - H ALA 38 far 0 99 0 - 8.6-9.6 Violated in 0 structures by 0.00 A. Peak 995 from nnoeabs.peaks (3.98, 8.44, 119.33 ppm; 4.01 A): 1 out of 4 assignments used, quality = 1.00: * HA ALA 35 + H ALA 38 OK 100 100 100 100 3.6-3.8 3746=86, 3748/1982=72...(11) HA LYS 42 - H ALA 38 far 0 100 0 - 7.4-8.0 HA GLN 47 - H ALA 38 far 0 76 0 - 9.2-10.6 HB2 SER 30 - H ALA 38 far 0 60 0 - 9.6-12.8 Violated in 0 structures by 0.00 A. Peak 996 from nnoeabs.peaks (3.79, 8.44, 119.33 ppm; 4.35 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 34 + H ALA 38 OK 100 100 100 100 3.6-4.2 3744=73, 990/887=66...(16) HA GLN 15 - H ALA 38 far 0 100 0 - 9.5-11.7 Violated in 0 structures by 0.00 A. Peak 997 from nnoeabs.peaks (8.02, 8.44, 119.33 ppm; 3.64 A): 2 out of 3 assignments used, quality = 1.00: * H ASN 40 + H ALA 38 OK 99 100 100 99 4.1-4.3 889/888=61, 1004=51...(13) H HIS 36 + H ALA 38 OK 56 63 100 90 4.5-4.9 3.6/995=43, 3.0/993=39...(9) H LYS 22 - H ALA 38 far 0 96 0 - 8.7-9.7 Violated in 20 structures by 0.23 A. Peak 998 from nnoeabs.peaks (4.06, 7.67, 116.42 ppm; 3.25 A): 2 out of 3 assignments used, quality = 0.90: HA LYS 39 + H LYS 39 OK 76 76 100 100 2.8-2.8 3.0=100 * HA LEU 37 + H LYS 39 OK 60 100 65 92 4.4-5.0 3.6/888=43, 3758/889=42...(9) HA GLU 33 - H LYS 39 far 0 95 0 - 8.0-8.5 Violated in 0 structures by 0.00 A. Peak 999 from nnoeabs.peaks (8.07, 7.67, 116.42 ppm; 3.38 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 37 + H LYS 39 OK 95 100 100 95 3.9-4.5 887/888=53, 992=38...(12) H LEU 41 + H LYS 39 OK 93 97 100 95 4.0-4.3 890/165=61, 1008=30...(12) H GLN 47 - H LYS 39 far 0 92 0 - 8.5-9.6 Violated in 20 structures by 0.36 A. Peak 1000 from nnoeabs.peaks (4.32, 7.67, 116.42 ppm; 4.00 A): 1 out of 2 assignments used, quality = 1.00: * HA HIS 36 + H LYS 39 OK 100 100 100 100 4.0-4.3 3751=80, 4368/653=50...(12) HA LEU 41 - H LYS 39 far 0 76 0 - 6.9-7.1 Violated in 18 structures by 0.17 A. Peak 1001 from nnoeabs.peaks (3.98, 7.67, 116.42 ppm; 4.41 A): 2 out of 2 assignments used, quality = 1.00: * HA ALA 35 + H LYS 39 OK 99 100 100 99 3.3-4.0 3748/164=81, 3749=75...(7) HA LYS 42 + H LYS 39 OK 62 100 80 78 5.6-6.0 4441/1008=40, ~4466=34...(4) Violated in 0 structures by 0.00 A. Peak 1002 from nnoeabs.peaks (8.06, 7.67, 116.42 ppm; 3.38 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 41 + H LYS 39 OK 96 100 100 96 4.0-4.3 890/165=65, 1008=32...(12) H LEU 37 + H LYS 39 OK 92 97 100 95 3.9-4.5 887/888=51, 3.6/1000=37...(12) H GLN 47 - H LYS 39 far 0 100 0 - 8.5-9.6 Violated in 20 structures by 0.36 A. Peak 1003 from nnoeabs.peaks (3.61, 8.02, 117.69 ppm; 5.06 A): 1 out of 4 assignments used, quality = 1.00: * HA ALA 38 + H ASN 40 OK 100 100 100 100 4.1-4.5 3764=100, 3.6/889=89...(9) HA GLU 45 - H ASN 40 far 0 60 0 - 8.0-9.0 HA LEU 19 - H ASN 40 far 0 65 0 - 8.2-10.0 HA VAL 48 - H ASN 40 far 0 90 0 - 9.1-10.5 Violated in 0 structures by 0.00 A. Peak 1004 from nnoeabs.peaks (8.44, 8.02, 117.69 ppm; 4.57 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 38 + H ASN 40 OK 100 100 100 100 4.1-4.3 888/889=85, 3.6/3758=71...(13) Violated in 0 structures by 0.00 A. Peak 1005 from nnoeabs.peaks (4.06, 8.02, 117.69 ppm; 3.48 A): 2 out of 3 assignments used, quality = 1.00: * HA LEU 37 + H ASN 40 OK 100 100 100 100 3.4-3.6 3758=85, 3759/660=53...(15) HA LYS 39 + H ASN 40 OK 76 76 100 100 3.5-3.5 3.6=93, 3.0/889=60...(11) HA GLU 33 - H ASN 40 far 0 95 0 - 8.4-9.2 Violated in 0 structures by 0.00 A. Peak 1006 from nnoeabs.peaks (4.32, 8.02, 117.69 ppm; 4.68 A): 2 out of 2 assignments used, quality = 1.00: * HA HIS 36 + H ASN 40 OK 100 100 100 100 4.2-4.5 1000/889=74, 3756=61...(10) HA LEU 41 + H ASN 40 OK 75 76 100 99 5.1-5.2 3.0/890=98, ~3489=42...(4) Violated in 0 structures by 0.00 A. Peak 1007 from nnoeabs.peaks (4.08, 8.06, 116.05 ppm; 4.62 A): 2 out of 2 assignments used, quality = 1.00: * HA LYS 39 + H LEU 41 OK 100 100 100 100 4.2-4.5 3.6/890=90, 4466/181=70...(7) HA LEU 37 + H LEU 41 OK 78 78 100 99 4.0-4.3 3758/890=58...(13) Violated in 0 structures by 0.00 A. Peak 1008 from nnoeabs.peaks (7.67, 8.06, 116.05 ppm; 4.95 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 39 + H LEU 41 OK 100 100 100 100 4.0-4.3 889/890=99, 3.6/1009=65...(12) H VAL 48 - H LEU 41 far 0 98 0 - 8.0-8.8 HE22 GLN 47 - H LEU 41 far 0 99 0 - 8.9-11.0 Violated in 0 structures by 0.00 A. Peak 1009 from nnoeabs.peaks (3.61, 8.06, 116.05 ppm; 4.66 A): 1 out of 4 assignments used, quality = 1.00: * HA ALA 38 + H LEU 41 OK 100 100 100 100 3.2-3.5 3764/890=71...(12) HA LEU 19 - H LEU 41 far 0 65 0 - 6.6-8.7 HA VAL 48 - H LEU 41 far 0 90 0 - 7.7-9.1 HA GLU 45 - H LEU 41 far 0 60 0 - 8.0-9.1 Violated in 0 structures by 0.00 A. Peak 1010 from nnoeabs.peaks (4.06, 8.06, 116.05 ppm; 4.78 A): 2 out of 3 assignments used, quality = 1.00: * HA LEU 37 + H LEU 41 OK 100 100 100 100 4.0-4.3 3758/890=91...(13) HA LYS 39 + H LEU 41 OK 76 76 100 100 4.2-4.5 3.6/890=93, 3.0/1008=63...(7) HB THR 14 - H LEU 41 far 0 93 0 - 9.0-11.5 Violated in 0 structures by 0.00 A. Peak 1012 from nnoeabs.peaks (7.68, 8.14, 115.25 ppm; 5.20 A): 1 out of 3 assignments used, quality = 0.99: * H VAL 48 + H THR 46 OK 99 100 100 99 4.1-4.5 897/896=89, 3772/3.6=76...(6) HE22 GLN 47 - H THR 46 far 0 90 0 - 7.1-8.0 H LYS 39 - H THR 46 far 0 98 0 - 8.2-9.5 Violated in 0 structures by 0.00 A. Peak 1013 from nnoeabs.peaks (3.64, 8.05, 120.26 ppm; 4.61 A): 2 out of 3 assignments used, quality = 1.00: * HA GLU 45 + H GLN 47 OK 100 100 100 100 3.9-4.4 3.6/896=74, 3772/897=66...(7) HA VAL 48 + H GLN 47 OK 94 95 100 99 5.2-5.3 3.0/897=86, 3.2/4539=67...(5) HA ALA 38 - H GLN 47 far 0 60 0 - 6.4-7.3 Violated in 0 structures by 0.00 A. Peak 1014 from nnoeabs.peaks (9.24, 8.05, 120.26 ppm; 4.97 A): 1 out of 1 assignment used, quality = 0.96: * H GLU 45 + H GLN 47 OK 96 100 100 96 4.2-4.4 209/896=79, 4.6/4562=59...(4) Violated in 0 structures by 0.00 A. Peak 1015 from nnoeabs.peaks (8.54, 8.05, 120.26 ppm; 4.56 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 49 + H GLN 47 OK 100 100 100 100 3.7-4.0 898/897=77, 1022/3.6=66...(9) Violated in 0 structures by 0.00 A. Peak 1016 from nnoeabs.peaks (3.90, 7.68, 118.72 ppm; 5.53 A): 1 out of 1 assignment used, quality = 1.00: * HA THR 46 + H VAL 48 OK 100 100 100 100 4.6-5.1 3.6/897=93, 1022/898=87...(4) Violated in 0 structures by 0.00 A. Peak 1018 from nnoeabs.peaks (3.64, 7.68, 118.72 ppm; 3.62 A): 2 out of 4 assignments used, quality = 1.00: * HA GLU 45 + H VAL 48 OK 98 100 100 98 3.4-3.9 3772=62, 3773/712=50...(10) HA VAL 48 + H VAL 48 OK 95 95 100 100 2.7-2.8 3.0=100 HA ALA 38 - H VAL 48 poor 18 60 30 - 4.8-5.8 HA LEU 19 - H VAL 48 far 0 100 0 - 8.0-9.0 Violated in 0 structures by 0.00 A. Peak 1020 from nnoeabs.peaks (3.96, 8.54, 121.11 ppm; 4.96 A): 1 out of 3 assignments used, quality = 1.00: * HA GLN 47 + H LYS 49 OK 100 100 100 100 3.9-4.4 3.6/898=82, 3.0/1015=74...(5) HA GLN 53 - H LYS 49 far 0 81 0 - 8.1-8.8 HA ALA 35 - H LYS 49 far 0 76 0 - 8.6-9.4 Violated in 0 structures by 0.00 A. Peak 1021 from nnoeabs.peaks (8.05, 8.54, 121.11 ppm; 4.83 A): 2 out of 4 assignments used, quality = 1.00: * H GLN 47 + H LYS 49 OK 100 100 100 100 3.7-4.0 1015=100, 897/898=83...(9) H GLN 53 + H LYS 49 OK 62 87 100 71 5.9-6.3 1043/3.0=37...(6) H ARG 55 - H LYS 49 far 0 76 0 - 9.1-9.6 H LEU 37 - H LYS 49 far 0 92 0 - 9.1-10.6 Violated in 0 structures by 0.00 A. Peak 1022 from nnoeabs.peaks (3.90, 8.54, 121.11 ppm; 3.98 A): 1 out of 2 assignments used, quality = 1.00: * HA THR 46 + H LYS 49 OK 100 100 100 100 3.7-3.9 3777=96, 3778/717=65...(12) HA LYS 27 - H LYS 49 far 0 100 0 - 9.8-12.5 Violated in 0 structures by 0.00 A. Peak 1023 from nnoeabs.peaks (3.64, 8.54, 121.11 ppm; 4.12 A): 2 out of 4 assignments used, quality = 1.00: * HA GLU 45 + H LYS 49 OK 98 100 100 98 4.0-4.9 3773/229=64, 3772/898=52...(7) HA VAL 48 + H LYS 49 OK 95 95 100 100 3.5-3.5 3.6=100 HA ALA 38 - H LYS 49 far 0 60 0 - 7.1-8.0 HA LEU 19 - H LYS 49 far 0 100 0 - 8.9-9.9 Violated in 0 structures by 0.00 A. Peak 1024 from nnoeabs.peaks (8.27, 8.54, 121.11 ppm; 4.92 A): 1 out of 2 assignments used, quality = 1.00: * H TRP 51 + H LYS 49 OK 100 100 100 100 4.0-4.6 1031=100, 242/232=79...(12) H ASN 54 - H LYS 49 far 0 60 0 - 7.8-8.3 Violated in 0 structures by 0.00 A. Peak 1027 from nnoeabs.peaks (3.96, 8.69, 119.98 ppm; 4.52 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 47 + H ILE 50 OK 100 100 100 100 3.3-3.8 3784=98, 3785/727=77...(6) HA GLN 53 - H ILE 50 far 0 81 0 - 6.8-7.3 Violated in 0 structures by 0.00 A. Peak 1028 from nnoeabs.peaks (3.90, 8.69, 119.98 ppm; 4.91 A): 1 out of 2 assignments used, quality = 1.00: * HA THR 46 + H ILE 50 OK 100 100 100 100 4.2-5.0 3782=100, 3778/3534=77...(8) HA LYS 27 - H ILE 50 far 0 100 0 - 10.0-13.2 Violated in 1 structures by 0.01 A. Peak 1031 from nnoeabs.peaks (8.54, 8.27, 121.67 ppm; 4.67 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 49 + H TRP 51 OK 100 100 100 100 4.0-4.6 1024=86, 232/242=73...(12) Violated in 0 structures by 0.00 A. Peak 1032 from nnoeabs.peaks (3.63, 8.27, 121.67 ppm; 3.86 A): 1 out of 4 assignments used, quality = 0.98: * HA VAL 48 + H TRP 51 OK 98 100 100 98 3.6-3.8 3789=68, 3793/735=52...(8) HA GLU 45 - H TRP 51 far 0 95 0 - 7.8-8.6 HA LEU 19 - H TRP 51 far 0 97 0 - 8.2-9.0 HA ALA 38 - H TRP 51 far 0 90 0 - 8.7-10.0 Violated in 0 structures by 0.00 A. Peak 1033 from nnoeabs.peaks (3.96, 8.27, 121.67 ppm; 4.75 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 47 + H TRP 51 OK 100 100 100 100 3.8-4.6 3787=100, 3785/244=79...(7) HA GLN 53 - H TRP 51 far 0 81 0 - 6.7-6.8 Violated in 0 structures by 0.00 A. Peak 1034 from nnoeabs.peaks (8.03, 8.27, 121.67 ppm; 5.27 A): 2 out of 2 assignments used, quality = 1.00: * H GLN 53 + H TRP 51 OK 100 100 100 100 3.8-4.0 259/901=84, 3803/3.6=80...(12) H GLN 47 + H TRP 51 OK 82 87 100 94 5.8-6.5 3.0/3787=78...(5) Violated in 0 structures by 0.00 A. Peak 1035 from nnoeabs.peaks (3.77, 8.94, 119.28 ppm; 3.90 A): 2 out of 3 assignments used, quality = 0.99: * HA ILE 50 + H PHE 52 OK 94 100 100 94 4.4-5.0 3.6/901=54, 3803/259=47...(6) HA PHE 52 + H PHE 52 OK 89 89 100 100 2.8-2.8 2.9=100 HA ARG 34 - H PHE 52 far 0 90 0 - 8.5-9.5 Violated in 0 structures by 0.00 A. Peak 1036 from nnoeabs.peaks (8.69, 8.94, 119.28 ppm; 5.03 A): 1 out of 1 assignment used, quality = 0.98: * H ILE 50 + H PHE 52 OK 98 100 100 98 4.2-4.7 242/901=82, 3.6/1037=67 Violated in 0 structures by 0.00 A. Peak 1037 from nnoeabs.peaks (4.33, 8.94, 119.28 ppm; 4.65 A): 1 out of 2 assignments used, quality = 0.99: * HA LYS 49 + H PHE 52 OK 99 100 100 99 3.6-4.0 3796=72, 3.6/1036=53...(7) HA ASN 54 - H PHE 52 far 0 65 0 - 7.3-7.4 Violated in 0 structures by 0.00 A. Peak 1038 from nnoeabs.peaks (3.63, 8.94, 119.28 ppm; 4.30 A): 1 out of 4 assignments used, quality = 0.98: * HA VAL 48 + H PHE 52 OK 98 100 100 98 3.8-4.4 1032/901=60, 3.2/4632=53...(7) HA LEU 19 - H PHE 52 far 0 97 0 - 6.7-7.9 HA GLU 45 - H PHE 52 far 0 95 0 - 8.3-9.0 HA ALA 38 - H PHE 52 far 0 90 0 - 9.0-10.2 Violated in 1 structures by 0.00 A. Peak 1039 from nnoeabs.peaks (8.29, 8.94, 119.28 ppm; 3.99 A): 2 out of 2 assignments used, quality = 0.97: * H ASN 54 + H PHE 52 OK 93 100 100 93 4.7-4.9 265/259=61, 1047/3.6=45...(5) H TRP 51 + H PHE 52 OK 58 60 100 97 2.7-3.0 4.6=64, 3.6/3802=37...(9) Violated in 0 structures by 0.00 A. Peak 1040 from nnoeabs.peaks (4.02, 8.03, 118.15 ppm; 5.51 A): 1 out of 1 assignment used, quality = 1.00: * HA TRP 51 + H GLN 53 OK 100 100 100 100 4.0-4.2 3.6/259=90, 1047/265=82...(6) Violated in 0 structures by 0.00 A. Peak 1041 from nnoeabs.peaks (8.27, 8.03, 118.15 ppm; 3.48 A): 2 out of 2 assignments used, quality = 0.96: * H TRP 51 + H GLN 53 OK 90 100 100 90 3.8-4.0 901/259=42, 3.6/3803=38...(11) H ASN 54 + H GLN 53 OK 56 60 100 94 2.7-2.9 265=46, 4.4/750=38...(12) Violated in 0 structures by 0.00 A. Peak 1042 from nnoeabs.peaks (3.77, 8.03, 118.15 ppm; 3.59 A): 2 out of 2 assignments used, quality = 1.00: * HA ILE 50 + H GLN 53 OK 99 100 100 99 3.3-3.7 3803=68, 3806/751=52...(13) HA PHE 52 + H GLN 53 OK 89 89 100 100 3.4-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 1043 from nnoeabs.peaks (4.33, 8.03, 118.15 ppm; 4.22 A): 2 out of 2 assignments used, quality = 0.93: * HA LYS 49 + H GLN 53 OK 85 100 100 85 4.1-4.5 1037/259=48...(6) HA ASN 54 + H GLN 53 OK 56 65 100 85 5.2-5.4 3.0/265=78, 4663/2.9=29 Violated in 10 structures by 0.01 A. Peak 1045 from nnoeabs.peaks (3.76, 8.29, 117.45 ppm; 4.33 A): 2 out of 6 assignments used, quality = 0.99: * HA PHE 52 + H ASN 54 OK 95 100 100 95 5.0-5.3 3.6/265=70, 3817/904=59...(4) HA ILE 50 + H ASN 54 OK 88 89 100 100 3.5-4.0 3805/267=58, 3.2/4657=56...(13) HA2 GLY 69 - H SER 66 far 0 46 0 - 6.2-12.7 HA3 GLY 69 - H SER 66 far 0 47 0 - 7.6-12.1 HA3 GLY 69 - H ASN 54 far 0 97 0 - 8.9-30.2 HA2 GLY 69 - H ASN 54 far 0 97 0 - 9.1-31.6 Violated in 0 structures by 0.00 A. Peak 1046 from nnoeabs.peaks (8.94, 8.29, 117.45 ppm; 5.31 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 52 + H ASN 54 OK 100 100 100 100 4.7-4.9 259/265=90, 3.6/1047=75...(5) Violated in 0 structures by 0.00 A. Peak 1047 from nnoeabs.peaks (4.02, 8.29, 117.45 ppm; 4.46 A): 1 out of 2 assignments used, quality = 1.00: * HA TRP 51 + H ASN 54 OK 100 100 100 100 3.7-4.0 3813/759=65, 3810=62...(8) HA TRP 51 - H SER 66 far 0 51 0 - 9.4-24.9 Violated in 0 structures by 0.00 A. Peak 1048 from nnoeabs.peaks (3.77, 8.29, 117.45 ppm; 4.33 A): 2 out of 6 assignments used, quality = 1.00: * HA ILE 50 + H ASN 54 OK 100 100 100 100 3.5-4.0 3805/267=65, 3806/268=65...(13) HA PHE 52 + H ASN 54 OK 83 89 100 93 5.0-5.3 3.6/265=70, 3817/904=49...(4) HA2 GLY 69 - H SER 66 far 0 25 0 - 6.2-12.7 HA3 GLY 69 - H SER 66 far 0 27 0 - 7.6-12.1 HA3 GLY 69 - H ASN 54 far 0 65 0 - 8.9-30.2 HA2 GLY 69 - H ASN 54 far 0 63 0 - 9.1-31.6 Violated in 0 structures by 0.00 A. Peak 1052 from nnoeabs.peaks (3.76, 8.07, 122.80 ppm; 4.36 A): 1 out of 3 assignments used, quality = 1.00: * HA PHE 52 + H ARG 55 OK 100 100 100 100 3.6-4.5 3817=100, 3818/764=58...(6) HA ILE 50 - H ARG 55 far 0 89 0 - 5.9-6.3 HA3 GLY 69 - H ARG 55 far 0 97 0 - 9.8-28.8 Violated in 1 structures by 0.01 A. Peak 1056 from nnoeabs.peaks (8.29, 7.75, 117.78 ppm; 4.99 A): 1 out of 3 assignments used, quality = 0.95: * H ASN 54 + H ARG 56 OK 95 100 100 95 4.1-4.8 904/279=85, 3.6/1057=63 H TRP 51 - H ARG 56 far 0 60 0 - 7.5-8.0 H LYS 62 - H ARG 56 far 0 99 0 - 8.6-14.0 Violated in 0 structures by 0.00 A. Peak 1057 from nnoeabs.peaks (3.94, 7.75, 117.78 ppm; 4.82 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 53 + H ARG 56 OK 100 100 100 100 3.3-4.2 3823/279=67, 3827/773=64...(8) HB2 SER 65 - H ARG 56 far 0 99 0 - 9.9-21.2 Violated in 0 structures by 0.00 A. Peak 1059 from nnoeabs.peaks (7.68, 7.75, 117.78 ppm; 4.80 A): 1 out of 1 assignment used, quality = 0.99: * H LYS 58 + H ARG 56 OK 99 100 100 99 3.9-4.8 3843/3.0=82, 907/906=74...(7) Violated in 0 structures by 0.00 A. Peak 1062 from nnoeabs.peaks (4.36, 7.56, 119.05 ppm; 4.09 A): 1 out of 10 assignments used, quality = 0.99: * HA ASN 54 + H TYR 57 OK 99 100 100 99 3.2-3.8 3831=74, 3834/781=60...(6) HA LEU 41 - H GLU 18 far 0 65 0 - 6.5-7.7 HB2 SER 12 - H GLU 18 far 0 58 0 - 6.8-8.6 HA HIS 13 - H GLU 18 far 0 56 0 - 7.0-7.9 HA LEU 64 - H TYR 57 far 0 85 0 - 7.6-20.7 HA LEU 68 - H TYR 57 far 0 99 0 - 8.3-24.1 HA LEU 64 - H GLU 18 far 0 58 0 - 8.3-31.9 HA LYS 22 - H GLU 18 far 0 75 0 - 8.5-9.5 HA ASN 40 - H GLU 18 far 0 61 0 - 9.2-10.8 HA LYS 49 - H TYR 57 far 0 65 0 - 9.6-10.7 Violated in 0 structures by 0.00 A. Peak 1064 from nnoeabs.peaks (4.08, 7.68, 119.80 ppm; 3.74 A): 2 out of 2 assignments used, quality = 0.99: * HA ARG 56 + H LYS 58 OK 98 100 100 98 3.9-4.1 3843=93, 3.6/907=50...(5) HA LYS 58 + H LYS 58 OK 63 63 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1065 from nnoeabs.peaks (7.75, 7.68, 119.80 ppm; 4.10 A): 2 out of 3 assignments used, quality = 0.99: * H ARG 56 + H LYS 58 OK 98 100 100 98 3.9-4.8 3.0/3843=66, 1059=62...(7) H THR 59 + H LYS 58 OK 77 78 100 99 2.3-2.7 4.6=70, 4.6/787=49...(10) QD PHE 52 - H LYS 58 far 0 100 0 - 9.4-10.3 Violated in 0 structures by 0.00 A. Peak 1066 from nnoeabs.peaks (3.43, 7.68, 119.80 ppm; 4.74 A): 1 out of 1 assignment used, quality = 0.99: * HA ARG 55 + H LYS 58 OK 99 100 100 99 3.5-4.3 3838=76, 3841/787=65...(7) Violated in 0 structures by 0.00 A. Peak 4001 from nnoeabs.peaks (2.48, 7.92, 111.33 ppm; 5.01 A): 2 out of 4 assignments used, quality = 0.89: HB2 GLN 15 + H THR 14 OK 76 78 100 97 4.3-6.4 4.0/866=75, 4.7/929=61...(6) HG3 GLN 15 + H THR 14 OK 53 100 55 96 3.9-7.1 1176/866=76, 3364/929=66...(6) HG3 MET 11 - H THR 14 far 0 100 0 - 8.7-10.1 HG2 GLU 20 - H THR 14 far 0 85 0 - 9.4-11.1 Violated in 2 structures by 0.01 A. Peak 4012 from nnoeabs.peaks (9.37, 7.51, 120.36 ppm; 4.88 A): 1 out of 1 assignment used, quality = 0.99: H SER 12 + H GLN 15 OK 99 100 100 100 3.8-5.5 4700=81, 4014/509=59...(8) Violated in 3 structures by 0.05 A. Peak 4016 from nnoeabs.peaks (1.02, 7.51, 120.36 ppm; 4.65 A): 2 out of 2 assignments used, quality = 1.00: QG2 VAL 16 + H GLN 15 OK 97 98 100 99 5.1-5.8 1194/19=80, 2.1/4018=70...(9) QG1 VAL 16 + H GLN 15 OK 94 97 100 98 4.8-5.4 2.1/4018=70, 4.0/19=69...(6) Violated in 9 structures by 0.03 A. Peak 4017 from nnoeabs.peaks (2.00, 7.51, 120.36 ppm; 4.95 A): 2 out of 3 assignments used, quality = 0.98: HB2 MET 11 + H GLN 15 OK 89 100 90 99 4.7-7.4 4711/4.0=65...(8) HB2 GLU 18 + H GLN 15 OK 84 100 85 99 5.2-6.6 3672/3.0=44, 4094/4.0=43...(16) HB3 GLU 18 - H GLN 15 far 0 100 0 - 6.9-7.9 Violated in 12 structures by 0.27 A. Peak 4018 from nnoeabs.peaks (2.08, 7.51, 120.36 ppm; 4.86 A): 1 out of 1 assignment used, quality = 0.99: HB VAL 16 + H GLN 15 OK 99 100 100 99 4.4-4.8 516/19=88, 29/934=72...(6) Violated in 0 structures by 0.00 A. Peak 4031 from nnoeabs.peaks (1.89, 7.79, 112.24 ppm; 4.65 A): 1 out of 2 assignments used, quality = 0.68: HG LEU 41 + HE21 GLN 15 OK 68 76 90 100 4.2-6.5 2.1/4035=72, 3.0/4435=53...(19) HB2 LYS 42 - HE21 GLN 15 far 10 100 10 - 5.4-7.9 Violated in 12 structures by 0.45 A. Peak 4032 from nnoeabs.peaks (2.16, 7.79, 112.24 ppm; 4.10 A): 1 out of 2 assignments used, quality = 0.77: HB3 LYS 42 + HE21 GLN 15 OK 77 98 80 98 4.1-6.5 4469=73, 4039/1.7=73...(4) HB VAL 48 - HE21 GLN 15 far 0 100 0 - 8.5-11.8 Violated in 18 structures by 0.94 A. Peak 4033 from nnoeabs.peaks (1.46, 7.79, 112.24 ppm; 3.76 A): 1 out of 1 assignment used, quality = 0.98: HG LEU 43 + HE21 GLN 15 OK 98 99 100 100 2.1-4.3 4037/1.7=72, 2.1/4034=71...(12) Violated in 6 structures by 0.06 A. Peak 4034 from nnoeabs.peaks (0.84, 7.79, 112.24 ppm; 3.67 A): 1 out of 3 assignments used, quality = 0.98: QD2 LEU 43 + HE21 GLN 15 OK 98 98 100 100 2.2-4.6 4494=79, 4041/1.7=77...(15) QD1 LEU 68 - HE21 GLN 15 far 0 90 0 - 6.8-30.9 QD2 LEU 68 - HE21 GLN 15 far 0 95 0 - 9.1-31.7 Violated in 11 structures by 0.23 A. Peak 4035 from nnoeabs.peaks (0.75, 7.79, 112.24 ppm; 4.77 A): 1 out of 1 assignment used, quality = 0.95: QD2 LEU 41 + HE21 GLN 15 OK 95 100 95 100 2.9-6.3 4436=81, 2.1/4031=78...(23) Violated in 4 structures by 0.17 A. Peak 4036 from nnoeabs.peaks (0.67, 7.79, 112.24 ppm; 4.62 A): 1 out of 2 assignments used, quality = 0.89: QD1 LEU 43 + HE21 GLN 15 OK 89 89 100 100 1.9-4.0 2.1/4034=93, 2.1/4033=91...(15) QD1 ILE 17 - HE21 GLN 15 far 0 63 0 - 8.2-9.8 Violated in 0 structures by 0.00 A. Peak 4037 from nnoeabs.peaks (1.47, 6.69, 112.24 ppm; 3.84 A): 1 out of 1 assignment used, quality = 1.00: HG LEU 43 + HE22 GLN 15 OK 100 100 100 100 2.0-3.5 2.1/4041=79, 4033/1.7=77...(12) Violated in 0 structures by 0.00 A. Peak 4038 from nnoeabs.peaks (1.88, 6.69, 112.24 ppm; 4.68 A): 2 out of 2 assignments used, quality = 0.99: HB2 LYS 42 + HE22 GLN 15 OK 98 98 100 100 4.8-6.2 1.8/4039=89, 4468/1.7=74...(4) HG LEU 41 + HE22 GLN 15 OK 65 93 70 100 5.1-6.8 4031/1.7=77, ~4035=54...(19) Violated in 20 structures by 0.35 A. Peak 4039 from nnoeabs.peaks (2.16, 6.69, 112.24 ppm; 4.23 A): 1 out of 2 assignments used, quality = 0.98: HB3 LYS 42 + HE22 GLN 15 OK 98 100 100 98 3.2-4.9 4032/1.7=80, 4655=73...(4) HB VAL 48 - HE22 GLN 15 far 0 99 0 - 9.0-11.2 Violated in 3 structures by 0.04 A. Peak 4040 from nnoeabs.peaks (0.65, 6.69, 112.24 ppm; 4.46 A): 1 out of 1 assignment used, quality = 1.00: QD1 LEU 43 + HE22 GLN 15 OK 100 100 100 100 2.2-4.0 2.1/4041=93, 2.1/4037=86...(14) Violated in 0 structures by 0.00 A. Peak 4041 from nnoeabs.peaks (0.85, 6.69, 112.24 ppm; 3.43 A): 1 out of 3 assignments used, quality = 1.00: QD2 LEU 43 + HE22 GLN 15 OK 100 100 100 100 2.0-3.5 4497=92, 4034/1.7=63...(14) QD1 LEU 68 - HE22 GLN 15 far 0 99 0 - 6.9-31.9 QD2 LEU 68 - HE22 GLN 15 far 0 100 0 - 9.3-32.8 Violated in 4 structures by 0.01 A. Peak 4055 from nnoeabs.peaks (1.84, 7.83, 117.36 ppm; 4.52 A): 2 out of 6 assignments used, quality = 1.00: HB ILE 17 + H VAL 16 OK 99 100 100 99 4.8-5.3 521/868=83, 3370/932=57...(7) HB3 MET 11 + H VAL 16 OK 98 99 100 99 3.7-5.7 4715/1194=75...(6) HG LEU 41 - H VAL 16 far 0 71 0 - 6.7-8.5 HG2 ARG 21 - H VAL 16 far 0 89 0 - 8.4-11.3 HB2 LYS 62 - H VAL 16 far 0 93 0 - 8.8-30.0 HB3 GLN 47 - H VAL 16 far 0 90 0 - 9.8-11.5 Violated in 3 structures by 0.01 A. Peak 4056 from nnoeabs.peaks (1.98, 7.83, 117.36 ppm; 4.50 A): 2 out of 5 assignments used, quality = 0.99: HB2 MET 11 + H VAL 16 OK 95 96 100 99 3.1-5.6 4712/1194=71, 4729=68...(8) HB2 GLU 18 + H VAL 16 OK 85 97 100 88 5.3-6.0 3.9/932=55, 3672/3.6=33...(8) HB3 GLU 18 - H VAL 16 far 0 97 0 - 6.9-7.6 HD3 ARG 55 - H VAL 16 far 0 95 0 - 8.2-10.1 HB2 ARG 21 - H VAL 16 far 0 87 0 - 9.3-10.1 Violated in 6 structures by 0.07 A. Peak 4105 from nnoeabs.peaks (1.01, 7.98, 124.25 ppm; 4.94 A): 2 out of 3 assignments used, quality = 1.00: QG2 VAL 16 + H LEU 19 OK 99 100 100 99 4.6-5.1 3.2/945=79, 4763/943=44...(11) QG1 VAL 16 + H LEU 19 OK 74 76 100 97 4.4-4.8 3.2/945=79, 4051/943=39...(8) QG1 VAL 48 - H LEU 19 far 9 95 10 - 5.9-7.5 Violated in 0 structures by 0.00 A. Peak 4120 from nnoeabs.peaks (1.03, 8.41, 118.68 ppm; 4.37 A): 2 out of 2 assignments used, quality = 1.00: QG1 VAL 16 + H GLU 20 OK 99 100 100 99 3.8-4.6 4058/544=59, 3.2/3683=49...(10) QG2 VAL 16 + H GLU 20 OK 80 85 100 94 4.4-5.8 3.2/3683=49...(13) Violated in 0 structures by 0.00 A. Peak 4125 from nnoeabs.peaks (7.25, 8.41, 118.68 ppm; 4.94 A): 1 out of 1 assignment used, quality = 1.00: HZ2 TRP 51 + H GLU 20 OK 100 100 100 100 3.3-4.9 4688/543=82, 4684/3.0=79...(14) Violated in 0 structures by 0.00 A. Peak 4126 from nnoeabs.peaks (6.45, 8.41, 118.68 ppm; 4.77 A): 1 out of 1 assignment used, quality = 0.99: HH2 TRP 51 + H GLU 20 OK 99 99 100 100 3.1-3.9 4681=99, 4685/3.0=92...(11) Violated in 0 structures by 0.00 A. Peak 4127 from nnoeabs.peaks (6.45, 4.21, 118.68 ppm; 6.00 A): 0 out of 0 assignments used, quality = 0.00: Peak 4134 from nnoeabs.peaks (7.57, 8.31, 121.06 ppm; 4.86 A): 1 out of 1 assignment used, quality = 0.93: H GLU 18 + H ARG 21 OK 93 93 100 100 4.8-5.1 3.0/3692=83, 3.6/956=66...(12) Violated in 18 structures by 0.13 A. Peak 4135 from nnoeabs.peaks (0.81, 8.31, 121.06 ppm; 4.72 A): 1 out of 1 assignment used, quality = 0.99: QG2 ILE 17 + H ARG 21 OK 99 99 100 100 3.5-4.5 3.2/956=68, 4076/3692=63...(13) Violated in 0 structures by 0.00 A. Peak 4147 from nnoeabs.peaks (0.94, 8.03, 120.92 ppm; 4.63 A): 2 out of 3 assignments used, quality = 0.93: QD2 LEU 37 + H LYS 22 OK 85 85 100 100 3.4-4.5 4149/2.9=60, 4152/557=56...(12) QD1 LEU 37 + H LYS 22 OK 56 68 100 82 3.2-5.6 ~4149=41, 4815/559=29...(8) QG2 VAL 48 - H LYS 22 far 0 92 0 - 6.8-8.2 Violated in 0 structures by 0.00 A. Peak 4179 from nnoeabs.peaks (4.35, 7.63, 118.44 ppm; 4.64 A): 1 out of 1 assignment used, quality = 0.91: HA LYS 22 + H HIS 25 OK 91 100 100 91 3.3-3.7 4161/3.9=54, 4180/3.9=50...(4) Violated in 0 structures by 0.00 A. Peak 4186 from nnoeabs.peaks (4.75, 8.51, 121.11 ppm; 3.89 A): 1 out of 1 assignment used, quality = 0.21: HA PHE 23 + H GLN 26 OK 21 100 100 21 3.2-3.6 3.6/878=20 Violated in 0 structures by 0.00 A. Peak 4190 from nnoeabs.peaks (4.60, 7.40, 113.37 ppm; 4.32 A): 1 out of 1 assignment used, quality = 0.92: HA LEU 29 + HE21 GLN 26 OK 92 93 100 99 2.7-4.1 4191/1.7=88...(10) Violated in 0 structures by 0.00 A. Peak 4191 from nnoeabs.peaks (4.59, 7.64, 113.37 ppm; 3.67 A): 1 out of 1 assignment used, quality = 0.94: HA LEU 29 + HE22 GLN 26 OK 94 100 100 94 2.5-4.0 4190/1.7=54...(11) Violated in 4 structures by 0.03 A. Peak 4195 from nnoeabs.peaks (0.46, 7.40, 113.37 ppm; 3.91 A): 1 out of 1 assignment used, quality = 0.99: QD2 LEU 29 + HE21 GLN 26 OK 99 100 100 99 2.4-4.8 4196/1.7=80, 4253=73...(12) Violated in 5 structures by 0.14 A. Peak 4196 from nnoeabs.peaks (0.47, 7.64, 113.37 ppm; 3.56 A): 1 out of 1 assignment used, quality = 0.97: QD2 LEU 29 + HE22 GLN 26 OK 97 99 100 98 1.9-3.6 4195/1.7=61, 4251=60...(12) Violated in 1 structures by 0.00 A. Peak 4199 from nnoeabs.peaks (7.13, 8.12, 119.98 ppm; 4.50 A): 1 out of 1 assignment used, quality = 0.99: QD TYR 28 + H LYS 27 OK 99 100 100 100 3.6-4.1 4666/589=77, 4663=77...(7) Violated in 0 structures by 0.00 A. Peak 4213 from nnoeabs.peaks (4.49, 7.50, 113.08 ppm; 4.54 A): 1 out of 1 assignment used, quality = 0.96: HA GLN 26 + H TYR 28 OK 96 100 100 97 3.9-4.9 92/879=86, 3.0/4220=31...(5) Violated in 4 structures by 0.04 A. Peak 4218 from nnoeabs.peaks (2.29, 7.50, 113.08 ppm; 4.28 A): 2 out of 5 assignments used, quality = 1.00: HG3 GLN 26 + H TYR 28 OK 96 100 100 96 2.2-5.2 4.9/879=48, 3.9/4213=48...(9) HG2 GLN 26 + H TYR 28 OK 96 100 100 96 3.6-5.5 4.9/879=48, 3.9/4213=48...(9) HB3 GLU 33 - H TYR 28 far 0 68 0 - 7.4-8.9 HG2 GLU 67 - HD21 ASN 54 far 0 50 0 - 8.8-28.1 HG2 GLU 67 - H TYR 28 far 0 97 0 - 9.6-27.5 Violated in 0 structures by 0.00 A. Peak 4220 from nnoeabs.peaks (2.02, 7.50, 113.08 ppm; 4.66 A): 2 out of 5 assignments used, quality = 1.00: HB3 GLN 26 + H TYR 28 OK 98 100 100 98 2.2-5.7 3.0/4213=67, 4.7/879=61...(8) HB2 GLN 26 + H TYR 28 OK 98 100 100 98 2.7-4.3 3.0/4213=67, 4.7/879=61...(8) HB3 ARG 56 - H TYR 28 far 5 96 5 - 5.6-10.7 HB3 ARG 56 - HD21 ASN 54 far 0 49 0 - 7.9-10.9 HB2 MET 11 - HD21 ASN 54 far 0 28 0 - 9.1-12.4 Violated in 0 structures by 0.00 A. Peak 4257 from nnoeabs.peaks (7.64, 8.98, 118.86 ppm; 4.90 A): 1 out of 2 assignments used, quality = 0.99: HE22 GLN 26 + H SER 30 OK 99 99 100 100 3.4-5.3 4861=98, 4191/3438=83 H HIS 25 - H SER 30 far 0 100 0 - 9.0-10.7 Violated in 1 structures by 0.02 A. Peak 4258 from nnoeabs.peaks (7.21, 8.98, 118.86 ppm; 4.83 A): 1 out of 1 assignment used, quality = 0.99: H GLU 33 + H SER 30 OK 99 99 100 100 3.6-4.2 4300=99, 4.0/4260=68...(9) Violated in 0 structures by 0.00 A. Peak 4259 from nnoeabs.peaks (8.74, 8.98, 118.86 ppm; 4.51 A): 1 out of 1 assignment used, quality = 0.94: H ARG 34 + H SER 30 OK 94 95 100 100 2.6-4.7 4828=59, 3455/4260=56...(12) Violated in 1 structures by 0.01 A. Peak 4260 from nnoeabs.peaks (1.89, 8.98, 118.86 ppm; 3.91 A): 1 out of 2 assignments used, quality = 0.99: HB2 GLU 33 + H SER 30 OK 99 99 100 100 1.9-4.3 4301=78, 1.8/4302=69...(12) HB3 LYS 49 - H SER 30 far 0 99 0 - 9.2-12.0 Violated in 1 structures by 0.02 A. Peak 4261 from nnoeabs.peaks (2.22, 8.98, 118.86 ppm; 4.48 A): 1 out of 1 assignment used, quality = 0.96: HG3 GLU 33 + H SER 30 OK 96 97 100 100 2.7-4.6 3.0/4260=73, 4304=70...(9) Violated in 1 structures by 0.00 A. Peak 4262 from nnoeabs.peaks (2.31, 8.98, 118.86 ppm; 3.35 A): 2 out of 5 assignments used, quality = 1.00: HB3 GLU 33 + H SER 30 OK 98 100 100 99 1.9-3.3 1.8/4260=55, 4302=54...(15) HG2 GLU 33 + H SER 30 OK 94 99 100 95 2.1-4.6 3.0/4260=43, 1.8/4261=41...(12) HG3 GLN 26 - H SER 30 poor 14 68 20 - 4.4-7.3 HG2 GLN 26 - H SER 30 far 3 65 5 - 4.6-7.7 HB3 PRO 32 - H SER 30 far 0 99 0 - 6.5-7.9 Violated in 0 structures by 0.00 A. Peak 4270 from nnoeabs.peaks (3.91, 9.18, 123.12 ppm; 4.18 A): 1 out of 1 assignment used, quality = 1.00: HD2 PRO 32 + H ALA 31 OK 100 100 100 100 1.8-3.2 4285=90, 1.8/4271=75...(15) Violated in 0 structures by 0.00 A. Peak 4271 from nnoeabs.peaks (3.80, 9.18, 123.12 ppm; 4.23 A): 1 out of 2 assignments used, quality = 1.00: HD3 PRO 32 + H ALA 31 OK 100 100 100 100 2.2-3.3 4274/2.9=85, 4286=79...(15) HA ARG 34 - H ALA 31 far 0 95 0 - 6.2-7.7 Violated in 0 structures by 0.00 A. Peak 4300 from nnoeabs.peaks (8.98, 7.21, 117.78 ppm; 4.65 A): 1 out of 1 assignment used, quality = 1.00: H SER 30 + H GLU 33 OK 100 100 100 100 3.6-4.2 4258=88, 4260/4.0=63...(9) Violated in 0 structures by 0.00 A. Peak 4314 from nnoeabs.peaks (1.24, 8.73, 121.67 ppm; 3.91 A): 1 out of 1 assignment used, quality = 0.99: HB2 LEU 29 + H ARG 34 OK 99 99 100 100 2.3-3.1 4245=66, 1.8/4246=52...(19) Violated in 0 structures by 0.00 A. Peak 4315 from nnoeabs.peaks (0.45, 8.73, 121.67 ppm; 4.74 A): 1 out of 1 assignment used, quality = 0.99: QD2 LEU 29 + H ARG 34 OK 99 99 100 100 3.8-4.2 2.1/4316=82, 3.1/4314=77...(18) Violated in 0 structures by 0.00 A. Peak 4316 from nnoeabs.peaks (0.16, 8.73, 121.67 ppm; 4.41 A): 1 out of 1 assignment used, quality = 0.99: QD1 LEU 29 + H ARG 34 OK 99 99 100 100 3.3-4.3 4326/2.9=78, 3.1/4314=69...(16) Violated in 0 structures by 0.00 A. Peak 4351 from nnoeabs.peaks (2.07, 8.15, 120.97 ppm; 4.47 A): 2 out of 5 assignments used, quality = 0.97: HG3 GLU 45 + H ALA 35 OK 95 100 95 100 4.1-6.2 4355/3.0=84, 4362/632=74...(14) HG3 PRO 32 + H ALA 35 OK 40 57 75 94 5.6-6.9 3.8/980=62, 5.0/979=40...(8) HB3 GLU 45 - H ALA 35 far 8 78 10 - 4.9-7.5 HB2 GLU 45 - H ALA 35 far 4 73 5 - 4.2-8.2 HB2 LYS 22 - H ALA 35 far 0 96 0 - 8.6-10.0 Violated in 5 structures by 0.10 A. Peak 4352 from nnoeabs.peaks (2.33, 8.15, 120.97 ppm; 5.08 A): 2 out of 3 assignments used, quality = 1.00: HB3 GLU 33 + H ALA 35 OK 97 98 100 99 4.5-5.8 3.0/3731=73, 4.6/139=73...(9) HB3 PRO 32 + H ALA 35 OK 87 87 100 100 5.1-5.8 2.3/980=95, 3.6/979=68...(12) HG2 GLU 33 - H ALA 35 poor 20 100 20 - 6.2-7.3 Violated in 0 structures by 0.00 A. Peak 4353 from nnoeabs.peaks (3.19, 8.15, 120.97 ppm; 4.55 A): 2 out of 2 assignments used, quality = 0.97: HB2 HIS 36 + H ALA 35 OK 96 100 100 96 4.5-4.8 4.0/147=70, 4.6/989=53...(6) HB3 HIS 36 + H ALA 35 OK 29 100 30 96 5.3-6.2 4.0/147=70, 4.6/989=53...(6) Violated in 3 structures by 0.00 A. Peak 4366 from nnoeabs.peaks (1.71, 7.99, 118.30 ppm; 4.68 A): 3 out of 5 assignments used, quality = 0.98: HD3 LYS 39 + H HIS 36 OK 74 85 95 92 4.4-6.4 ~4368=39, ~4788=36...(13) HB3 LEU 37 + H HIS 36 OK 73 85 95 90 4.6-6.2 4.0/886=77, 4.4/987=43 HD2 LYS 39 + H HIS 36 OK 65 85 85 91 4.3-7.8 ~4368=39, ~4788=36...(13) HG2 LYS 22 - H HIS 36 far 0 100 0 - 6.6-8.6 HG2 LYS 22 - H ILE 17 far 0 57 0 - 9.3-12.6 Violated in 0 structures by 0.00 A. Peak 4389 from nnoeabs.peaks (1.33, 8.07, 120.69 ppm; 4.45 A): 2 out of 2 assignments used, quality = 0.98: QB ALA 38 + H LEU 37 OK 93 93 100 100 4.2-4.3 2.9/887=86, 3.6/992=53...(10) HG2 ARG 34 + H LEU 37 OK 76 97 95 83 4.9-6.0 4.0/990=57, 143/989=26...(5) Violated in 0 structures by 0.00 A. Peak 4399 from nnoeabs.peaks (1.93, 8.44, 119.33 ppm; 4.38 A): 2 out of 3 assignments used, quality = 1.00: HB3 LYS 39 + H ALA 38 OK 99 100 100 99 4.8-5.0 4415=76, 3.9/888=68...(8) HB2 ARG 34 + H ALA 38 OK 91 96 100 95 5.1-5.7 3.0/996=63, 1867/1982=30...(10) HB2 LYS 39 - H ALA 38 far 0 100 0 - 6.1-6.5 Violated in 20 structures by 0.14 A. Peak 4400 from nnoeabs.peaks (3.19, 8.44, 119.33 ppm; 5.04 A): 2 out of 2 assignments used, quality = 1.00: HB3 HIS 36 + H ALA 38 OK 97 100 100 97 5.3-5.9 3.0/993=73, 4.6/887=72...(5) HB2 HIS 36 + H ALA 38 OK 97 100 100 97 5.4-6.1 3.0/993=73, 4.6/887=72...(5) Violated in 8 structures by 0.03 A. Peak 4416 from nnoeabs.peaks (0.97, 7.67, 116.42 ppm; 4.73 A): 2 out of 2 assignments used, quality = 1.00: QD1 LEU 37 + H LYS 39 OK 98 100 100 98 4.5-5.9 3477/888=57...(7) QG2 VAL 48 + H LYS 39 OK 90 93 100 97 4.6-5.5 4405/164=81, 161/888=39...(7) Violated in 5 structures by 0.03 A. Peak 4417 from nnoeabs.peaks (2.75, 7.67, 116.42 ppm; 4.97 A): 1 out of 1 assignment used, quality = 0.85: HB2 ASN 40 + H LYS 39 OK 85 87 100 98 4.4-4.7 3.9/889=82, 4.2/1008=55...(5) Violated in 0 structures by 0.00 A. Peak 4419 from nnoeabs.peaks (1.36, 8.02, 117.69 ppm; 4.46 A): 1 out of 4 assignments used, quality = 0.88: QB ALA 38 + H ASN 40 OK 88 89 100 99 4.2-4.5 3.6/889=76, 2.1/3764=69...(9) HG2 LYS 42 - H ASN 40 poor 20 99 20 - 5.8-8.1 HG3 LYS 42 - H ASN 40 far 0 99 0 - 6.3-8.0 HG2 ARG 34 - H ASN 40 far 0 83 0 - 7.9-8.8 Violated in 2 structures by 0.00 A. Peak 4420 from nnoeabs.peaks (0.95, 8.02, 117.69 ppm; 4.58 A): 2 out of 2 assignments used, quality = 0.99: QD1 LEU 37 + H ASN 40 OK 97 97 100 100 4.1-4.8 1943/3758=77...(12) QG2 VAL 48 + H ASN 40 OK 78 100 85 91 5.3-6.3 4405/4419=55...(9) Violated in 1 structures by 0.00 A. Peak 4421 from nnoeabs.peaks (0.74, 8.02, 117.69 ppm; 5.03 A): 2 out of 2 assignments used, quality = 0.99: QD2 LEU 41 + H ASN 40 OK 97 97 100 100 3.4-4.2 669/890=88, 4447/2087=69...(10) QD1 LEU 41 + H ASN 40 OK 82 83 100 99 5.6-6.2 4.8/890=78, ~4424=39...(11) Violated in 0 structures by 0.00 A. Peak 4431 from nnoeabs.peaks (4.07, 7.29, 110.97 ppm; 4.55 A): 1 out of 3 assignments used, quality = 0.99: HA LEU 37 + HD21 ASN 40 OK 99 100 100 100 2.7-4.3 3759/3.5=71, 4432/1.7=69...(5) HA LYS 39 - HD21 ASN 40 far 13 89 15 - 5.1-7.2 HA GLU 33 - HD21 ASN 40 far 0 99 0 - 6.9-8.7 Violated in 0 structures by 0.00 A. Peak 4432 from nnoeabs.peaks (4.07, 6.52, 110.97 ppm; 4.96 A): 1 out of 3 assignments used, quality = 0.99: HA LEU 37 + HD22 ASN 40 OK 99 100 100 100 4.4-5.2 4431/1.7=89, 3759/3.5=80...(4) HA LYS 39 - HD22 ASN 40 far 0 89 0 - 6.7-7.8 HA GLU 33 - HD22 ASN 40 far 0 99 0 - 7.5-9.6 Violated in 14 structures by 0.10 A. Peak 4433 from nnoeabs.peaks (0.95, 7.29, 110.97 ppm; 4.61 A): 1 out of 2 assignments used, quality = 0.94: QD1 LEU 37 + HD21 ASN 40 OK 94 97 100 96 3.8-6.0 1943/4431=63...(4) QG2 VAL 48 - HD21 ASN 40 far 0 100 0 - 7.2-8.3 Violated in 6 structures by 0.29 A. Peak 4434 from nnoeabs.peaks (8.34, 8.06, 116.05 ppm; 4.45 A): 1 out of 1 assignment used, quality = 0.97: H LEU 43 + H LEU 41 OK 97 97 100 100 3.3-3.9 4499=93, 188/181=77...(12) Violated in 0 structures by 0.00 A. Peak 4441 from nnoeabs.peaks (3.99, 8.06, 116.05 ppm; 4.51 A): 1 out of 2 assignments used, quality = 0.98: HA LYS 42 + H LEU 41 OK 98 99 100 99 4.6-4.7 672/181=88, 189/4499=63...(5) HA ALA 35 - H LEU 41 far 0 100 0 - 7.2-7.8 Violated in 20 structures by 0.12 A. Peak 4465 from nnoeabs.peaks (0.95, 8.06, 116.05 ppm; 4.66 A): 2 out of 2 assignments used, quality = 1.00: QD1 LEU 37 + H LEU 41 OK 97 97 100 100 3.1-4.3 4790/668=74...(15) QG2 VAL 48 + H LEU 41 OK 96 100 100 96 4.6-5.5 4470/4499=40...(12) Violated in 0 structures by 0.00 A. Peak 4466 from nnoeabs.peaks (4.08, 7.90, 117.73 ppm; 4.08 A): 1 out of 2 assignments used, quality = 0.97: HA LYS 39 + H LYS 42 OK 97 99 100 97 3.4-3.7 4893=88, 4486/892=48...(7) HA LEU 37 - H LYS 42 far 0 92 0 - 6.2-6.7 Violated in 0 structures by 0.00 A. Peak 4470 from nnoeabs.peaks (0.95, 8.33, 119.56 ppm; 4.35 A): 2 out of 2 assignments used, quality = 1.00: QG2 VAL 48 + H LEU 43 OK 99 100 100 99 4.1-5.4 4405/4394=59...(11) QD1 LEU 37 + H LEU 43 OK 31 98 45 71 4.6-7.0 1972/4499=25...(7) Violated in 12 structures by 0.21 A. Peak 4471 from nnoeabs.peaks (0.74, 8.33, 119.56 ppm; 4.91 A): 2 out of 3 assignments used, quality = 0.99: QD2 LEU 41 + H LEU 43 OK 93 96 100 98 4.7-5.2 186/892=63, 669/4499=58...(8) QD1 LEU 41 + H LEU 43 OK 83 87 100 96 4.8-5.5 4.8/4499=54, 187/892=50...(8) HB2 LEU 19 - H LEU 43 far 0 63 0 - 9.1-11.0 Violated in 0 structures by 0.00 A. Peak 4485 from nnoeabs.peaks (3.60, 8.33, 119.56 ppm; 3.75 A): 1 out of 2 assignments used, quality = 0.97: HA ALA 38 + H LEU 43 OK 97 98 100 99 2.9-3.6 4393=81, 4402/683=52...(11) HA VAL 48 - H LEU 43 far 0 71 0 - 7.0-8.3 Violated in 0 structures by 0.00 A. Peak 4486 from nnoeabs.peaks (4.08, 8.33, 119.56 ppm; 4.48 A): 1 out of 3 assignments used, quality = 0.87: HA LYS 39 + H LEU 43 OK 87 100 100 87 3.9-4.5 4893/188=64...(3) HA LEU 37 - H LEU 43 far 0 71 0 - 6.8-7.6 HB THR 46 - H LEU 43 far 0 71 0 - 9.4-9.7 Violated in 1 structures by 0.00 A. Peak 4499 from nnoeabs.peaks (8.06, 8.33, 119.56 ppm; 4.38 A): 1 out of 3 assignments used, quality = 0.99: H LEU 41 + H LEU 43 OK 99 99 100 100 3.3-3.9 4434=88, 181/892=78...(12) H GLN 47 - H LEU 43 far 0 96 0 - 7.2-7.6 H LEU 37 - H LEU 43 far 0 100 0 - 7.8-8.5 Violated in 0 structures by 0.00 A. Peak 4500 from nnoeabs.peaks (8.05, 8.84, 109.64 ppm; 4.53 A): 1 out of 4 assignments used, quality = 0.99: H GLN 47 + H THR 44 OK 99 99 100 100 3.2-3.9 4562=96, 704/4563=63...(9) H LEU 41 - H THR 44 far 0 97 0 - 7.2-8.0 H ASN 40 - H THR 44 far 0 63 0 - 8.3-9.5 H LEU 37 - H THR 44 far 0 81 0 - 9.5-11.2 Violated in 0 structures by 0.00 A. Peak 4501 from nnoeabs.peaks (7.70, 8.84, 109.64 ppm; 5.05 A): 1 out of 2 assignments used, quality = 0.88: H VAL 48 + H THR 44 OK 88 89 100 99 3.6-4.8 4.0/4505=62, 4.7/4564=61...(8) H LYS 39 - H THR 44 far 0 68 0 - 6.8-8.2 Violated in 0 structures by 0.00 A. Peak 4505 from nnoeabs.peaks (0.95, 8.84, 109.64 ppm; 4.71 A): 1 out of 2 assignments used, quality = 1.00: QG2 VAL 48 + H THR 44 OK 100 100 100 100 3.7-4.8 4476/201=72...(9) QD1 LEU 37 - H THR 44 far 10 99 10 - 5.8-9.5 Violated in 2 structures by 0.01 A. Peak 4506 from nnoeabs.peaks (1.83, 8.84, 109.64 ppm; 4.18 A): 1 out of 2 assignments used, quality = 0.98: HB3 GLN 47 + H THR 44 OK 98 98 100 100 3.6-4.7 4564=97, 1.8/4563=70...(11) HB3 MET 11 - H THR 44 far 0 100 0 - 8.2-10.4 Violated in 9 structures by 0.09 A. Peak 4507 from nnoeabs.peaks (2.41, 8.84, 109.64 ppm; 4.50 A): 1 out of 3 assignments used, quality = 0.99: HG3 GLN 47 + H THR 44 OK 99 99 100 100 1.9-4.4 4566=83, 3.0/4564=70...(8) HG2 GLU 45 - H THR 44 far 0 97 0 - 6.3-6.8 HG2 MET 11 - H THR 44 far 0 76 0 - 6.5-8.3 Violated in 0 structures by 0.00 A. Peak 4508 from nnoeabs.peaks (2.57, 8.84, 109.64 ppm; 3.71 A): 2 out of 2 assignments used, quality = 0.99: HB2 GLN 47 + H THR 44 OK 95 96 100 100 2.1-3.4 1.8/4564=63, 4563=56...(11) HG2 GLN 47 + H THR 44 OK 78 81 100 97 2.0-3.6 1.8/4507=53, 3.0/4564=49...(9) Violated in 0 structures by 0.00 A. Peak 4510 from nnoeabs.peaks (1.33, 9.24, 121.30 ppm; 4.03 A): 2 out of 2 assignments used, quality = 0.97: QB ALA 38 + H GLU 45 OK 94 96 100 98 3.1-3.9 4397=65, 4410/696=53...(9) HG2 ARG 34 + H GLU 45 OK 51 98 60 86 4.6-6.7 4511/3.0=36, 4515/696=29...(8) Violated in 0 structures by 0.00 A. Peak 4531 from nnoeabs.peaks (4.66, 8.14, 115.25 ppm; 4.18 A): 1 out of 1 assignment used, quality = 0.93: HA THR 44 + H THR 46 OK 93 100 100 93 3.8-4.1 3.0/4799=78, 206/209=64 Violated in 0 structures by 0.00 A. Peak 4539 from nnoeabs.peaks (0.95, 8.05, 120.26 ppm; 4.28 A): 1 out of 3 assignments used, quality = 0.99: QG2 VAL 48 + H GLN 47 OK 99 99 100 99 4.0-4.3 714/897=75, 2.1/4541=67...(8) QD1 LEU 37 - H GLN 47 far 0 89 0 - 6.5-10.1 QD2 LEU 37 - H GLN 47 far 0 63 0 - 7.6-10.4 Violated in 1 structures by 0.00 A. Peak 4541 from nnoeabs.peaks (2.16, 8.05, 120.26 ppm; 4.53 A): 1 out of 2 assignments used, quality = 0.99: HB VAL 48 + H GLN 47 OK 99 100 100 99 4.6-4.7 712/897=80, 2.1/4539=79...(7) HB2 GLN 53 - H GLN 47 far 0 97 0 - 9.2-10.5 Violated in 20 structures by 0.09 A. Peak 4557 from nnoeabs.peaks (1.94, 6.91, 112.23 ppm; 4.92 A): 0 out of 2 assignments used, quality = 0.00: HB ILE 50 - HE21 GLN 47 far 15 99 15 - 6.3-7.5 HB3 GLU 67 - HE21 GLN 47 far 0 89 0 - 9.2-35.0 Violated in 20 structures by 1.91 A. Peak 4558 from nnoeabs.peaks (0.86, 6.91, 112.23 ppm; 3.73 A): 1 out of 3 assignments used, quality = 0.98: QD2 LEU 43 + HE21 GLN 47 OK 98 100 100 98 2.1-3.4 4559/1.7=64, 4496=57...(10) QD1 LEU 68 - HE21 GLN 47 far 0 100 0 - 6.6-31.0 QD2 LEU 68 - HE21 GLN 47 far 0 100 0 - 8.0-31.7 Violated in 0 structures by 0.00 A. Peak 4559 from nnoeabs.peaks (0.86, 7.67, 112.23 ppm; 4.12 A): 1 out of 3 assignments used, quality = 1.00: QD2 LEU 43 + HE22 GLN 47 OK 100 100 100 100 1.9-3.8 4558/1.7=86, 4848=48...(10) QD1 LEU 68 - HE22 GLN 47 far 0 100 0 - 6.1-29.8 QD2 LEU 68 - HE22 GLN 47 far 0 100 0 - 7.1-30.8 Violated in 0 structures by 0.00 A. Peak 4560 from nnoeabs.peaks (1.96, 7.67, 112.23 ppm; 4.47 A): 1 out of 3 assignments used, quality = 0.28: HB ILE 50 + HE22 GLN 47 OK 28 73 70 54 5.0-8.1 4545/445=31, 3785/5.8=28 HB3 GLU 67 - HE22 GLN 47 far 0 100 0 - 8.8-34.3 HD3 ARG 55 - HE22 GLN 47 far 0 97 0 - 9.2-12.4 Violated in 20 structures by 1.40 A. Peak 4562 from nnoeabs.peaks (8.85, 8.05, 120.26 ppm; 4.12 A): 1 out of 1 assignment used, quality = 0.98: H THR 44 + H GLN 47 OK 98 98 100 99 3.2-3.9 4500=72, 4564/705=53...(9) Violated in 0 structures by 0.00 A. Peak 4568 from nnoeabs.peaks (1.34, 7.68, 118.72 ppm; 4.83 A): 2 out of 2 assignments used, quality = 1.00: QB ALA 38 + H VAL 48 OK 100 100 100 100 3.7-4.5 4405/714=93, 4409/712=71...(9) HG2 ARG 34 + H VAL 48 OK 98 100 100 98 4.6-5.7 4339/712=62, 4331/4.0=60...(9) Violated in 0 structures by 0.00 A. Peak 4589 from nnoeabs.peaks (3.29, 8.54, 121.11 ppm; 4.52 A): 3 out of 3 assignments used, quality = 0.99: HD3 ARG 34 + H LYS 49 OK 90 90 100 100 3.2-5.4 4344=83, 1.8/4345=60...(11) HB3 TRP 51 + H LYS 49 OK 87 99 95 92 5.2-6.2 3793/3.6=63, 735/1031=58...(6) HB2 PHE 52 + H LYS 49 OK 48 97 55 91 5.0-7.2 3798/3.0=50, ~3800=42...(9) Violated in 3 structures by 0.02 A. Peak 4590 from nnoeabs.peaks (3.53, 8.54, 121.11 ppm; 4.54 A): 3 out of 3 assignments used, quality = 0.96: HD2 ARG 34 + H LYS 49 OK 83 92 90 100 3.2-6.5 1.8/4344=78, 4345=57...(10) HB2 TRP 51 + H LYS 49 OK 57 65 100 87 5.1-5.8 4.1/1031=50, 3790/3.6=43...(7) HB3 PHE 52 + H LYS 49 OK 40 100 45 89 5.0-7.1 3800/3.0=59, ~3798=39...(6) Violated in 5 structures by 0.03 A. Peak 4616 from nnoeabs.peaks (3.24, 9.95, 128.50 ppm; 4.84 A): 1 out of 2 assignments used, quality = 0.96: HA VAL 16 + HE1 TRP 51 OK 96 96 100 100 2.8-4.9 4727/2.8=75, 3.2/4047=71...(12) HD3 ARG 21 - HE1 TRP 51 far 0 100 0 - 10.0-12.9 Violated in 1 structures by 0.00 A. Peak 4617 from nnoeabs.peaks (2.47, 9.95, 128.50 ppm; 5.01 A): 1 out of 4 assignments used, quality = 0.94: HG2 GLU 20 + HE1 TRP 51 OK 94 100 95 99 5.0-8.0 4688/2.8=88, 4691/5.0=57...(6) HG3 MET 11 - HE1 TRP 51 poor 19 90 40 51 4.9-8.7 4723/4047=50 HG3 GLN 15 - HE1 TRP 51 poor 18 89 20 - 5.9-9.1 HB2 ASN 54 - HE1 TRP 51 far 0 99 0 - 6.9-9.0 Violated in 18 structures by 0.48 A. Peak 4618 from nnoeabs.peaks (2.06, 9.95, 128.50 ppm; 4.95 A): 1 out of 5 assignments used, quality = 0.97: HB VAL 16 + HE1 TRP 51 OK 97 97 100 100 4.5-5.7 2.1/4047=86, 2.1/4048=83...(11) HB3 GLU 20 - HE1 TRP 51 far 4 76 5 - 5.6-8.2 HB2 GLN 63 - HE1 TRP 51 far 0 93 0 - 7.2-24.4 HB2 GLU 67 - HE1 TRP 51 far 0 76 0 - 9.1-27.8 HB2 LYS 22 - HE1 TRP 51 far 0 99 0 - 9.4-11.6 Violated in 10 structures by 0.13 A. Peak 4619 from nnoeabs.peaks (1.96, 9.95, 128.50 ppm; 4.11 A): 1 out of 4 assignments used, quality = 0.91: HD3 ARG 55 + HE1 TRP 51 OK 91 92 100 99 2.9-4.1 4677/2.6=84, 4630/2.8=42...(12) HB ILE 50 - HE1 TRP 51 far 0 83 0 - 8.1-8.6 HB3 GLU 67 - HE1 TRP 51 far 0 100 0 - 9.4-26.4 HB2 ARG 21 - HE1 TRP 51 far 0 97 0 - 10.0-11.3 Violated in 2 structures by 0.00 A. Peak 4620 from nnoeabs.peaks (1.03, 9.95, 128.50 ppm; 3.18 A): 2 out of 3 assignments used, quality = 1.00: QG1 VAL 16 + HE1 TRP 51 OK 96 99 100 97 3.5-4.4 4048=37, 2.1/4047=36...(15) QG2 VAL 16 + HE1 TRP 51 OK 91 95 100 97 1.9-2.7 4678/2.6=39, 2.1/4048=36...(16) QG1 VAL 48 - HE1 TRP 51 far 0 60 0 - 7.2-8.2 Violated in 0 structures by 0.00 A. Peak 4624 from nnoeabs.peaks (2.14, 8.27, 121.67 ppm; 4.91 A): 3 out of 3 assignments used, quality = 1.00: HB2 LYS 49 + H TRP 51 OK 95 96 100 99 4.7-5.4 3534/242=71, 717/1031=61...(9) HB2 GLN 53 + H TRP 51 OK 93 97 100 96 4.6-5.2 3805/3.6=71, 750/1041=50...(8) HB VAL 48 + H TRP 51 OK 66 71 100 93 5.7-6.1 3.0/1032=83, 4.4/1031=54 Violated in 0 structures by 0.00 A. Peak 4632 from nnoeabs.peaks (1.00, 8.94, 119.28 ppm; 4.71 A): 1 out of 2 assignments used, quality = 0.98: QG1 VAL 48 + H PHE 52 OK 98 100 100 98 3.6-4.1 4792/747=70, 3.2/1038=69...(6) QG2 VAL 16 - H PHE 52 far 0 87 0 - 7.5-8.4 Violated in 0 structures by 0.00 A. Peak 4657 from nnoeabs.peaks (0.92, 8.29, 117.45 ppm; 4.39 A): 1 out of 5 assignments used, quality = 0.99: QG2 ILE 50 + H ASN 54 OK 99 100 100 99 3.0-3.7 4661/397=51...(12) QD1 LEU 64 - H SER 66 poor 5 46 45 25 2.5-8.0 3634/4.6=24 QG2 ILE 50 - H SER 66 far 0 50 0 - 7.0-22.5 QD1 LEU 64 - H ASN 54 far 0 97 0 - 7.4-22.6 QD2 LEU 37 - H ASN 54 far 0 100 0 - 9.6-13.2 Violated in 0 structures by 0.00 A. Peak 4660 from nnoeabs.peaks (0.91, 7.49, 112.83 ppm; 3.57 A): 1 out of 3 assignments used, quality = 0.98: QG2 ILE 50 + HD21 ASN 54 OK 98 100 100 98 1.9-3.3 4661/1.7=81, 4596=51...(9) QD2 LEU 37 - H TYR 28 far 0 54 0 - 7.9-10.6 QD1 LEU 64 - HD21 ASN 54 far 0 99 0 - 9.0-24.1 Violated in 0 structures by 0.00 A. Peak 4661 from nnoeabs.peaks (0.92, 6.91, 112.83 ppm; 3.25 A): 1 out of 3 assignments used, quality = 0.94: QG2 ILE 50 + HD22 ASN 54 OK 94 100 100 94 1.9-3.3 4597=62, 4660/1.7=61...(7) QD1 LEU 64 - HD22 ASN 54 far 0 97 0 - 8.2-24.0 QD2 LEU 37 - HD22 ASN 54 far 0 100 0 - 9.7-14.9 Violated in 2 structures by 0.01 A. Peak 4664 from nnoeabs.peaks (4.02, 7.49, 112.83 ppm; 4.88 A): 1 out of 2 assignments used, quality = 0.99: HA TRP 51 + HD21 ASN 54 OK 99 100 100 99 2.4-4.6 3813/3.4=71...(5) HB2 SER 30 - H TYR 28 far 0 50 0 - 7.6-9.6 Violated in 0 structures by 0.00 A. Peak 4666 from nnoeabs.peaks (4.81, 6.91, 112.83 ppm; 4.23 A): 0 out of 0 assignments used, quality = 0.00: Peak 4672 from nnoeabs.peaks (7.16, 7.75, 117.78 ppm; 4.61 A): 2 out of 4 assignments used, quality = 0.98: QE PHE 23 + H ARG 56 OK 97 97 100 100 2.4-4.2 4673/3.0=74, 4646/775=66...(20) QD TYR 57 + H ARG 56 OK 31 85 45 82 5.8-6.4 4.4/906=59, 4.6/1059=45...(4) HD1 TRP 51 - H ARG 56 far 0 76 0 - 8.3-9.4 HZ PHE 52 - H ARG 56 far 0 93 0 - 9.1-10.3 Violated in 0 structures by 0.00 A. Peak 4700 from nnoeabs.peaks (7.50, 9.36, 119.62 ppm; 5.22 A): 1 out of 1 assignment used, quality = 1.00: H GLN 15 + H SER 12 OK 100 100 100 100 3.8-5.5 4012=99, 509/4014=66...(8) Violated in 2 structures by 0.02 A. Peak 4737 from nnoeabs.peaks (2.40, 9.36, 119.62 ppm; 4.94 A): 1 out of 4 assignments used, quality = 0.93: HG2 MET 11 + H SER 12 OK 93 93 100 100 3.7-5.0 3.0/8=81, 3.8/3349=79...(6) HG3 GLU 18 - H SER 12 far 0 99 0 - 8.1-10.4 HG3 GLU 20 - H SER 12 far 0 76 0 - 8.4-11.6 HG3 GLN 47 - H SER 12 far 0 100 0 - 9.3-12.7 Violated in 2 structures by 0.00 A. Peak 4738 from nnoeabs.peaks (2.50, 9.36, 119.62 ppm; 3.90 A): 3 out of 3 assignments used, quality = 1.00: HB2 GLN 15 + H SER 12 OK 98 100 100 98 2.2-5.1 4013=57, 1.8/4014=56...(10) HG3 GLN 15 + H SER 12 OK 83 85 100 97 1.9-4.8 3.0/4014=46, 3.0/4013=43...(12) HG3 MET 11 + H SER 12 OK 78 83 100 94 3.9-5.1 3.0/8=55, 3.8/3349=54...(8) Violated in 0 structures by 0.00 A. Peak 4739 from nnoeabs.peaks (1.64, 9.36, 119.62 ppm; 4.67 A): 1 out of 4 assignments used, quality = 1.00: HB3 GLN 15 + H SER 12 OK 100 100 100 100 2.5-5.8 4014=99, 1.8/4013=73...(9) HB2 LEU 41 - H SER 12 far 0 83 0 - 6.6-9.6 HD3 LYS 42 - H SER 12 far 0 76 0 - 8.8-13.8 HB2 LEU 68 - H SER 12 far 0 100 0 - 9.3-40.7 Violated in 3 structures by 0.13 A. Peak 4753 from nnoeabs.peaks (-0.27, 9.95, 128.50 ppm; 4.25 A): 2 out of 3 assignments used, quality = 0.99: QD1 LEU 19 + HE1 TRP 51 OK 94 95 100 99 2.2-3.6 4679/2.6=53...(14) HG2 ARG 55 + HE1 TRP 51 OK 89 90 100 99 4.0-5.5 3.0/4619=64, ~4677=40...(16) HB3 ARG 55 - HE1 TRP 51 far 5 97 5 - 5.2-7.5 Violated in 0 structures by 0.00 A. Peak 4758 from nnoeabs.peaks (7.56, 8.94, 119.28 ppm; 4.89 A): 1 out of 2 assignments used, quality = 0.65: QE PHE 52 + H PHE 52 OK 65 65 100 100 4.2-4.5 2.2/747=95, 4.4/2605=63...(8) H TYR 57 - H PHE 52 far 0 99 0 - 7.5-8.4 Violated in 0 structures by 0.00 A. Peak 4799 from nnoeabs.peaks (4.78, 8.14, 115.25 ppm; 3.19 A): 1 out of 1 assignment used, quality = 0.79: HB THR 44 + H THR 46 OK 79 100 100 79 2.3-3.2 207/209=37, 4800/700=37...(5) Violated in 0 structures by 0.00 A. Peak 4828 from nnoeabs.peaks (9.00, 8.73, 121.67 ppm; 4.79 A): 1 out of 2 assignments used, quality = 0.85: H SER 30 + H ARG 34 OK 85 85 100 100 2.6-4.7 4259=71, 4.4/4314=61...(12) H PHE 23 - H ARG 34 far 0 100 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 4852 from nnoeabs.peaks (1.69, 8.02, 117.69 ppm; 4.55 A): 2 out of 5 assignments used, quality = 1.00: HD2 LYS 39 + H ASN 40 OK 99 100 100 99 4.5-5.5 3.0/169=68, 3.0/170=41...(10) HD3 LYS 39 + H ASN 40 OK 99 100 100 99 4.2-5.2 3.0/169=68, 3.0/170=41...(10) HD2 LYS 42 - H ASN 40 lone 4 68 35 15 5.1-7.7 4.8/4467=10, 1992/3.6=3 HG2 LYS 22 - H ASN 40 far 0 83 0 - 6.7-10.4 HG3 LYS 22 - H ASN 40 far 0 90 0 - 7.3-10.9 Violated in 1 structures by 0.01 A. 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): 1 out of 2 assignments used, quality = 1.00: H SER 30 + HE22 GLN 26 OK 100 100 100 100 3.4-5.3 4257=96, 3438/4191=83 H PHE 23 - HE22 GLN 26 far 0 96 0 - 6.5-9.5 Violated in 1 structures by 0.02 A. Peak 4889 from nnoeabs.peaks (0.85, 8.14, 122.19 ppm; 5.00 A): 2 out of 4 assignments used, quality = 1.00: QD2 LEU 68 + H LEU 68 OK 99 99 100 100 1.9-4.8 4.7=100 QD1 LEU 68 + H LEU 68 OK 97 97 100 100 2.0-4.5 4.7=100 QD2 LEU 64 - H LEU 68 far 0 100 0 - 7.4-12.1 QD2 LEU 43 - H LEU 68 far 0 100 0 - 9.5-30.0 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HB2 HIS 10 + HA HIS 10 OK 100 100 100 100 2.4-3.0 3.0=100 HA VAL 16 - HA HIS 10 far 0 73 0 - 8.0-10.5 HB2 HIS 13 - HA HIS 10 far 0 97 0 - 9.9-11.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-4.4 4.6=100 Violated in 0 structures by 0.00 A. Peak 1072 from cnoeabs.peaks (4.69, 3.20, 30.63 ppm; 3.58 A): 1 out of 2 assignments used, quality = 1.00: * HA HIS 10 + HB2 HIS 10 OK 100 100 100 100 2.4-3.0 3.0=100 HA MET 11 - HB2 HIS 10 lone 1 63 70 1 4.2-5.6 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-4.0 3.9=100 HD2 HIS 36 + HB2 HIS 36 OK 63 63 100 100 2.7-4.0 4.0=100 HD2 HIS 36 + HB3 HIS 36 OK 63 63 100 100 2.7-4.0 4.0=100 Violated in 0 structures by 0.00 A. Peak 1076 from cnoeabs.peaks (4.69, 3.11, 30.63 ppm; 3.69 A): 1 out of 2 assignments used, quality = 1.00: * HA HIS 10 + HB3 HIS 10 OK 100 100 100 100 2.4-3.0 3.0=100 HA MET 11 - HB3 HIS 10 lone 1 62 60 2 4.0-6.0 Violated in 0 structures by 0.00 A. Peak 1077 from cnoeabs.peaks (3.20, 3.11, 30.63 ppm; 2.40 A): 1 out of 3 assignments used, quality = 1.00: * HB2 HIS 10 + HB3 HIS 10 OK 100 100 100 100 1.8-1.8 1.8=100 HA VAL 16 - HB3 HIS 10 far 0 73 0 - 7.5-11.6 HB2 HIS 13 - HB3 HIS 10 far 0 96 0 - 7.7-12.8 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-4.0 3.9=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HB2 MET 11 + HA MET 11 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 GLU 18 - HA MET 11 far 0 100 0 - 8.5-11.3 HD3 ARG 55 - HA MET 11 far 0 71 0 - 10.0-13.0 Violated in 0 structures by 0.00 A. Peak 1087 from cnoeabs.peaks (1.83, 4.66, 55.35 ppm; 6.00 A): 2 out of 2 assignments used, quality = 1.00: * HB3 MET 11 + HA MET 11 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLN 47 + HA MET 11 OK 28 98 45 63 6.2-8.9 4550/4847=36...(3) Violated in 0 structures by 0.00 A. Peak 1088 from cnoeabs.peaks (2.39, 4.66, 55.35 ppm; 4.22 A): 1 out of 3 assignments used, quality = 1.00: * HG2 MET 11 + HA MET 11 OK 100 100 100 100 2.3-3.7 3.8=100 HG3 GLN 47 - HA MET 11 far 0 89 0 - 7.4-10.8 HG3 GLU 18 - HA MET 11 far 0 81 0 - 9.2-12.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-3.8 3.7=100 Violated in 0 structures by 0.00 A. Peak 1090 from cnoeabs.peaks (4.66, 2.00, 34.98 ppm; 3.60 A): 1 out of 2 assignments used, quality = 1.00: * HA MET 11 + HB2 MET 11 OK 100 100 100 100 2.4-3.0 3.0=100 HA HIS 10 - HB2 MET 11 far 6 63 10 - 4.9-6.6 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * HB3 MET 11 + HB2 MET 11 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLN 47 - HB2 MET 11 far 0 98 0 - 5.5-8.5 HB ILE 17 - HB2 MET 11 far 0 100 0 - 8.1-10.3 HB2 LYS 62 - HB2 MET 11 far 0 99 0 - 9.9-30.6 Violated in 0 structures by 0.00 A. Peak 1093 from cnoeabs.peaks (2.39, 2.00, 34.98 ppm; 3.60 A): 1 out of 4 assignments used, quality = 1.00: * HG2 MET 11 + HB2 MET 11 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 GLN 47 - HB2 MET 11 far 0 89 0 - 7.3-10.7 HG3 GLU 18 - HB2 MET 11 far 0 81 0 - 8.1-10.3 HD2 ARG 55 - HB2 MET 11 far 0 81 0 - 8.6-11.7 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-3.6 3.7=100 Violated in 0 structures by 0.00 A. Peak 1095 from cnoeabs.peaks (4.66, 1.83, 34.98 ppm; 3.78 A): 1 out of 2 assignments used, quality = 1.00: * HA MET 11 + HB3 MET 11 OK 100 100 100 100 2.3-3.0 3.0=100 HA HIS 10 - HB3 MET 11 lone 1 63 35 5 4.5-6.6 4728/3.0=4 Violated in 0 structures by 0.00 A. Peak 1096 from cnoeabs.peaks (2.00, 1.83, 34.98 ppm; 2.69 A): 1 out of 4 assignments used, quality = 1.00: * HB2 MET 11 + HB3 MET 11 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLU 18 - HB3 MET 11 far 0 100 0 - 7.0-9.4 HD3 ARG 55 - HB3 MET 11 far 0 71 0 - 7.8-11.6 HB3 GLU 18 - HB3 MET 11 far 0 100 0 - 8.3-11.1 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * HG2 MET 11 + HB3 MET 11 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 GLU 18 - HB3 MET 11 far 0 81 0 - 7.6-10.9 HG3 GLN 47 - HB3 MET 11 far 0 89 0 - 8.1-10.4 HD2 ARG 55 - HB3 MET 11 far 0 81 0 - 8.5-13.1 Violated in 0 structures by 0.00 A. Peak 1100 from cnoeabs.peaks (4.66, 2.39, 32.80 ppm; 3.57 A): 1 out of 3 assignments used, quality = 0.96: * HA MET 11 + HG2 MET 11 OK 96 100 100 96 2.3-3.7 3.8=80, 4728/1.8=57...(6) HA HIS 10 - HG2 MET 11 far 6 63 10 - 3.7-7.8 HA THR 44 - HG2 MET 11 far 0 99 0 - 9.2-11.2 Violated in 4 structures by 0.01 A. Peak 1101 from cnoeabs.peaks (2.00, 2.39, 32.80 ppm; 3.49 A): 1 out of 4 assignments used, quality = 1.00: * HB2 MET 11 + HG2 MET 11 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLU 18 - HG2 MET 11 far 0 100 0 - 7.0-11.1 HD3 ARG 55 - HG2 MET 11 far 0 71 0 - 7.6-11.2 HB3 GLU 18 - HG2 MET 11 far 0 100 0 - 7.9-12.7 Violated in 0 structures by 0.00 A. Peak 1102 from cnoeabs.peaks (1.83, 2.39, 32.80 ppm; 3.79 A): 2 out of 3 assignments used, quality = 1.00: * HB3 MET 11 + HG2 MET 11 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 GLN 47 + HG2 MET 11 OK 37 98 45 83 4.2-6.7 4550/4719=43...(7) HB ILE 17 - HG2 MET 11 far 0 100 0 - 9.3-12.6 Violated in 0 structures by 0.00 A. Peak 1103 from cnoeabs.peaks (2.48, 2.39, 32.80 ppm; 2.40 A): 1 out of 4 assignments used, quality = 1.00: * HG3 MET 11 + HG2 MET 11 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLN 15 - HG2 MET 11 poor 17 100 25 66 2.9-6.1 4822/3.0=19, 4823/3.0=19...(17) HB2 GLN 15 - HG2 MET 11 poor 17 83 20 - 3.3-7.7 HG2 GLU 20 - HG2 MET 11 far 0 81 0 - 8.9-12.0 Violated in 0 structures by 0.00 A. 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): 2 out of 2 assignments used, quality = 1.00: * HB2 SER 12 + HA SER 12 OK 100 100 100 100 2.7-3.0 3.0=100 HA HIS 13 + HA SER 12 OK 34 100 100 33 4.3-4.3 500/2.9=22, ~1120=12 Violated in 0 structures by 0.00 A. Peak 1107 from cnoeabs.peaks (3.95, 4.59, 56.52 ppm; 3.65 A): 1 out of 2 assignments used, quality = 1.00: * HB3 SER 12 + HA SER 12 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 SER 66 - HA SER 12 far 0 99 0 - 9.7-36.3 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-3.3 3.9=100 Violated in 0 structures by 0.00 A. Peak 1109 from cnoeabs.peaks (4.59, 4.37, 65.53 ppm; 3.35 A): 1 out of 2 assignments used, quality = 1.00: * HA SER 12 + HB2 SER 12 OK 100 100 100 100 2.7-3.0 3.0=100 HA LEU 29 - HA PRO 32 far 0 72 0 - 8.6-9.5 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-4.0 3.9=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1114 from cnoeabs.peaks (4.37, 3.95, 65.53 ppm; 2.84 A): 1 out of 2 assignments used, quality = 1.00: * HB2 SER 12 + HB3 SER 12 OK 100 100 100 100 1.8-1.8 1.8=100 HA HIS 13 - HB3 SER 12 far 0 100 0 - 4.4-6.1 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HB2 HIS 13 + HA HIS 13 OK 100 100 100 100 2.5-3.0 3.0=100 HA VAL 16 - HA HIS 13 far 0 95 0 - 5.5-6.4 HB2 HIS 10 - HA HIS 13 far 0 97 0 - 6.3-11.3 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-2.6 3.0=100 Violated in 0 structures by 0.00 A. Peak 1120 from cnoeabs.peaks (4.38, 3.21, 29.61 ppm; 3.71 A): 2 out of 3 assignments used, quality = 1.00: * HA HIS 13 + HB2 HIS 13 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 SER 12 + HB2 HIS 13 OK 21 100 50 43 4.6-6.4 4741/12=40, ~1106=4 HA LEU 64 - HB2 HIS 13 far 0 100 0 - 9.5-34.5 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-3.3 4.0=100 Violated in 0 structures by 0.00 A. Peak 1124 from cnoeabs.peaks (4.38, 3.27, 29.61 ppm; 3.72 A): 1 out of 3 assignments used, quality = 1.00: * HA HIS 13 + HB3 HIS 13 OK 100 100 100 100 2.4-2.6 3.0=100 HB2 SER 12 - HB3 HIS 13 poor 20 100 20 - 5.0-6.3 HA LEU 64 - HB3 HIS 13 far 0 100 0 - 9.7-33.7 Violated in 0 structures by 0.00 A. Peak 1125 from cnoeabs.peaks (3.21, 3.27, 29.61 ppm; 2.44 A): 1 out of 3 assignments used, quality = 1.00: * HB2 HIS 13 + HB3 HIS 13 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 HIS 10 - HB3 HIS 13 far 0 97 0 - 6.3-12.3 HA VAL 16 - HB3 HIS 13 far 0 95 0 - 8.0-8.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.9-4.0 4.0=100 Violated in 0 structures by 0.00 A. Peak 1129 from cnoeabs.peaks (3.21, 7.13, 119.60 ppm; 4.73 A): 1 out of 5 assignments used, quality = 0.98: * HB2 HIS 13 + HD2 HIS 13 OK 98 98 100 100 2.8-3.3 4.0=100 HA VAL 16 - HD2 HIS 13 far 0 91 0 - 6.6-8.9 HD3 ARG 21 - HD2 HIS 13 far 0 74 0 - 9.1-11.5 HD2 ARG 21 - HD2 HIS 13 far 0 92 0 - 9.2-12.2 HB2 HIS 10 - HD2 HIS 13 far 0 93 0 - 9.5-14.9 Violated in 0 structures by 0.00 A. 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 98 100 100 3.9-4.0 4.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.7-2.9 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.9-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.0-2.4 3.2=100 Violated in 0 structures by 0.00 A. Peak 1136 from cnoeabs.peaks (7.92, 4.04, 68.52 ppm; 3.75 A): 1 out of 2 assignments used, quality = 1.00: * H THR 14 + HB THR 14 OK 100 100 100 100 2.5-3.0 504=100, 505/2.1=70...(5) H LYS 42 - HB THR 14 far 0 95 0 - 9.5-11.9 Violated in 0 structures by 0.00 A. Peak 1137 from cnoeabs.peaks (3.81, 4.04, 68.52 ppm; 3.34 A): 2 out of 2 assignments used, quality = 1.00: * HA THR 14 + HB THR 14 OK 100 100 100 100 2.9-3.0 3.0=100 HA GLN 15 + HB THR 14 OK 62 85 100 73 3.8-4.3 3.0/3358=43, 1141/2.1=27...(6) Violated in 0 structures by 0.00 A. Peak 1138 from cnoeabs.peaks (4.04, 4.04, 68.52 ppm; diagonal): 2 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 2 assignments used, quality = 1.00: * QG2 THR 14 + HB THR 14 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 43 - HB THR 46 far 0 39 0 - 7.8-8.3 Violated in 0 structures by 0.00 A. Peak 1140 from cnoeabs.peaks (7.92, 1.21, 21.82 ppm; 4.10 A): 1 out of 2 assignments used, quality = 1.00: * H THR 14 + QG2 THR 14 OK 100 100 100 100 3.7-3.8 4.0=100 H LYS 42 - QG2 THR 14 far 0 95 0 - 8.5-10.5 Violated in 0 structures by 0.00 A. Peak 1141 from cnoeabs.peaks (3.81, 1.21, 21.82 ppm; 3.14 A): 2 out of 2 assignments used, quality = 1.00: * HA THR 14 + QG2 THR 14 OK 99 100 100 99 2.0-2.4 3.2=94, 3.0/505=41...(8) HA GLN 15 + QG2 THR 14 OK 63 85 100 74 3.2-4.5 1137/2.1=22, ~3358=20...(12) Violated in 0 structures by 0.00 A. Peak 1142 from cnoeabs.peaks (4.04, 1.21, 21.82 ppm; 3.02 A): 1 out of 3 assignments used, quality = 1.00: * HB THR 14 + QG2 THR 14 OK 100 100 100 100 2.1-2.1 2.1=100 HA ARG 21 - QG2 THR 14 far 0 68 0 - 8.9-10.3 HA LEU 37 - QG2 THR 14 far 0 92 0 - 9.1-11.4 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * H GLN 15 + HA GLN 15 OK 100 100 100 100 2.7-2.9 3.0=100 QE PHE 52 - HA GLN 15 far 0 78 0 - 8.4-10.4 Violated in 0 structures by 0.00 A. 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): 2 out of 3 assignments used, quality = 1.00: * HB2 GLN 15 + HA GLN 15 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 GLN 15 + HA GLN 15 OK 84 85 100 98 2.2-3.8 3.8=74, 1.8/1148=38...(20) HG3 MET 11 - HA GLN 15 far 0 83 0 - 6.0-8.7 Violated in 0 structures by 0.00 A. Peak 1147 from cnoeabs.peaks (1.63, 3.79, 59.35 ppm; 3.42 A): 1 out of 4 assignments used, quality = 1.00: * HB3 GLN 15 + HA GLN 15 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 LEU 41 - HA GLN 15 far 9 90 10 - 4.1-7.0 HD3 LYS 42 - HA GLN 15 far 0 65 0 - 6.5-10.4 HG3 ARG 21 - HA GLN 15 far 0 60 0 - 7.5-10.6 Violated in 0 structures by 0.00 A. Peak 1148 from cnoeabs.peaks (2.30, 3.79, 59.35 ppm; 3.63 A): 2 out of 2 assignments used, quality = 1.00: * HG2 GLN 15 + HA GLN 15 OK 100 100 100 100 2.5-3.7 3.8=87, 1.8/1177=69...(20) HG2 GLU 18 + HA GLN 15 OK 74 78 100 94 2.4-4.3 4096=33, 4.9/3671=27...(17) Violated in 0 structures by 0.00 A. Peak 1149 from cnoeabs.peaks (2.48, 3.79, 59.35 ppm; 3.55 A): 2 out of 4 assignments used, quality = 1.00: * HG3 GLN 15 + HA GLN 15 OK 99 100 100 99 2.2-3.8 1177=81, 1176/3.0=48...(19) HB2 GLN 15 + HA GLN 15 OK 85 85 100 100 2.3-3.0 2.9=100 HG3 MET 11 - HA GLN 15 far 0 100 0 - 6.0-8.7 HG2 GLU 20 - HA GLN 15 far 0 78 0 - 7.8-9.0 Violated in 0 structures by 0.00 A. Peak 1152 from cnoeabs.peaks (7.51, 2.50, 28.07 ppm; 4.30 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 15 + HB2 GLN 15 OK 100 100 100 100 2.1-3.6 4.0=100 QE PHE 52 - HB2 GLN 15 far 0 78 0 - 8.0-11.0 Violated in 0 structures by 0.00 A. Peak 1153 from cnoeabs.peaks (3.79, 2.50, 28.07 ppm; 4.34 A): 2 out of 2 assignments used, quality = 1.00: * HA GLN 15 + HB2 GLN 15 OK 100 100 100 100 2.3-3.0 2.9=100 HA THR 14 + HB2 GLN 15 OK 41 85 55 88 5.6-6.6 3.0/4006=43, 3.6/508=40...(11) Violated in 0 structures by 0.00 A. 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): 2 out of 4 assignments used, quality = 1.00: * HB3 GLN 15 + HB2 GLN 15 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LEU 41 + HB2 GLN 15 OK 25 90 30 94 4.3-7.4 4442/3.0=27, ~4024=24...(23) HD3 LYS 42 - HB2 GLN 15 far 0 65 0 - 7.1-10.8 HG3 ARG 21 - HB2 GLN 15 far 0 60 0 - 9.9-13.0 Violated in 0 structures by 0.00 A. Peak 1156 from cnoeabs.peaks (2.30, 2.50, 28.07 ppm; 4.21 A): 2 out of 2 assignments used, quality = 1.00: * HG2 GLN 15 + HB2 GLN 15 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 GLU 18 + HB2 GLN 15 OK 49 78 70 90 4.8-6.4 4096/2.9=32, 3.0/4022=23...(14) Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * H GLN 15 + HB3 GLN 15 OK 100 100 100 100 2.2-3.4 4.0=100 QE PHE 52 - HB3 GLN 15 far 0 78 0 - 8.6-11.2 Violated in 0 structures by 0.00 A. Peak 1161 from cnoeabs.peaks (3.79, 1.63, 28.07 ppm; 4.16 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 15 + HB3 GLN 15 OK 100 100 100 100 2.3-3.0 2.9=100 HA THR 14 - HB3 GLN 15 far 8 85 10 - 5.5-6.5 Violated in 0 structures by 0.00 A. Peak 1162 from cnoeabs.peaks (2.50, 1.63, 28.07 ppm; 3.20 A): 3 out of 3 assignments used, quality = 1.00: * HB2 GLN 15 + HB3 GLN 15 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLN 15 + HB3 GLN 15 OK 85 85 100 100 2.2-3.0 3.0=100 HG3 MET 11 + HB3 GLN 15 OK 28 83 40 85 3.9-7.3 3.0/4711=31, 3.0/4714=25...(14) Violated in 0 structures by 0.00 A. 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): 2 out of 2 assignments used, quality = 1.00: * HG2 GLN 15 + HB3 GLN 15 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 GLU 18 + HB3 GLN 15 OK 43 78 60 92 4.3-7.1 4096/2.9=34, 1156/1.8=27...(15) Violated in 0 structures by 0.00 A. Peak 1165 from cnoeabs.peaks (2.48, 1.63, 28.07 ppm; 3.38 A): 3 out of 4 assignments used, quality = 1.00: * HG3 GLN 15 + HB3 GLN 15 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 GLN 15 + HB3 GLN 15 OK 85 85 100 100 1.8-1.8 1.8=100 HG3 MET 11 + HB3 GLN 15 OK 36 100 40 91 3.9-7.3 3.0/4711=36, 3.0/4714=29...(14) HG2 GLU 20 - HB3 GLN 15 far 0 78 0 - 8.5-10.9 Violated in 0 structures by 0.00 A. Peak 1168 from cnoeabs.peaks (7.51, 2.30, 35.21 ppm; 4.35 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 15 + HG2 GLN 15 OK 100 100 100 100 2.2-4.6 1176/1.8=86, 509/3.0=68...(13) QE PHE 52 - HG2 GLN 15 far 0 78 0 - 7.5-11.6 Violated in 11 structures by 0.08 A. Peak 1169 from cnoeabs.peaks (3.79, 2.30, 35.21 ppm; 3.90 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 15 + HG2 GLN 15 OK 100 100 100 100 2.5-3.7 3.8=100 HA THR 14 - HG2 GLN 15 far 8 85 10 - 5.4-7.8 Violated in 0 structures by 0.00 A. Peak 1170 from cnoeabs.peaks (2.50, 2.30, 35.21 ppm; 3.00 A): 2 out of 3 assignments used, quality = 1.00: * HB2 GLN 15 + HG2 GLN 15 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 GLN 15 + HG2 GLN 15 OK 85 85 100 100 1.8-1.8 1.8=100 HG3 MET 11 - HG2 GLN 15 far 8 83 10 - 3.0-6.8 Violated in 0 structures by 0.00 A. Peak 1171 from cnoeabs.peaks (1.63, 2.30, 35.21 ppm; 3.75 A): 2 out of 4 assignments used, quality = 1.00: * HB3 GLN 15 + HG2 GLN 15 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LEU 41 + HG2 GLN 15 OK 59 90 65 100 2.8-6.6 1.8/4024=63, 4442=47...(24) HD3 LYS 42 - HG2 GLN 15 far 3 65 5 - 5.0-10.0 HG3 ARG 21 - HG2 GLN 15 far 0 60 0 - 9.7-13.0 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * HG3 GLN 15 + HG2 GLN 15 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLN 15 + HG2 GLN 15 OK 85 85 100 100 2.2-3.0 3.0=100 HG3 MET 11 - HG2 GLN 15 far 10 100 10 - 3.0-6.8 HG2 GLU 20 - HG2 GLN 15 far 0 78 0 - 8.0-11.0 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-2.9 3.5=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.4-3.8 3.5=100 Violated in 0 structures by 0.00 A. Peak 1176 from cnoeabs.peaks (7.51, 2.48, 35.21 ppm; 3.99 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 15 + HG3 GLN 15 OK 100 100 100 100 2.1-4.4 1168/1.8=66, 3.0/1177=63...(16) QE PHE 52 - HG3 GLN 15 far 0 78 0 - 8.0-11.9 Violated in 12 structures by 0.11 A. Peak 1177 from cnoeabs.peaks (3.79, 2.48, 35.21 ppm; 3.80 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 15 + HG3 GLN 15 OK 100 100 100 100 2.2-3.8 3.8=100 HA THR 14 - HG3 GLN 15 far 0 85 0 - 5.5-7.0 Violated in 0 structures by 0.00 A. 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): 2 out of 5 assignments used, quality = 1.00: * HB3 GLN 15 + HG3 GLN 15 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LEU 41 + HG3 GLN 15 OK 23 90 25 100 3.1-7.4 1.8/4028=56, 4442/1.8=44...(27) HD3 LYS 42 - HG3 GLN 15 far 0 65 0 - 6.5-11.3 HG3 ARG 21 - HG3 GLN 15 far 0 60 0 - 8.5-13.9 HB2 LEU 68 - HG3 GLN 15 far 0 100 0 - 9.8-37.6 Violated in 0 structures by 0.00 A. Peak 1180 from cnoeabs.peaks (2.30, 2.48, 35.21 ppm; 3.01 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLN 15 + HG3 GLN 15 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLU 18 - HG3 GLN 15 far 8 78 10 - 4.1-7.8 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-3.6 3.5=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.5-4.1 3.5=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.7-2.9 3.0=100 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HB VAL 16 + HA VAL 16 OK 100 100 100 100 2.8-2.9 3.0=100 HB2 LYS 22 - HA VAL 16 far 0 87 0 - 8.5-10.6 HB2 GLN 63 - HA VAL 16 far 0 100 0 - 9.4-27.6 Violated in 0 structures by 0.00 A. Peak 1187 from cnoeabs.peaks (1.01, 3.23, 67.30 ppm; 3.22 A): 2 out of 3 assignments used, quality = 1.00: * QG2 VAL 16 + HA VAL 16 OK 100 100 100 100 2.1-2.2 3.2=100 QG1 VAL 16 + HA VAL 16 OK 83 83 100 100 2.8-3.1 3.2=100 QG1 VAL 48 - HA VAL 16 far 0 90 0 - 7.1-8.6 Violated in 0 structures by 0.00 A. Peak 1188 from cnoeabs.peaks (1.03, 3.23, 67.30 ppm; 3.06 A): 2 out of 2 assignments used, quality = 1.00: * QG1 VAL 16 + HA VAL 16 OK 99 100 100 99 2.8-3.1 3.2=88, 1199/3.0=35...(15) QG2 VAL 16 + HA VAL 16 OK 82 83 100 99 2.1-2.2 3.2=88, 1194/3.0=35...(16) Violated in 0 structures by 0.00 A. Peak 1189 from cnoeabs.peaks (7.83, 2.07, 31.49 ppm; 3.22 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 16 + HB VAL 16 OK 100 100 100 100 2.1-2.1 516=100, 1194/2.1=66...(7) Violated in 0 structures by 0.00 A. Peak 1190 from cnoeabs.peaks (3.23, 2.07, 31.49 ppm; 3.88 A): 1 out of 5 assignments used, quality = 1.00: * HA VAL 16 + HB VAL 16 OK 100 100 100 100 2.8-2.9 3.0=100 HB2 HIS 13 - HB VAL 16 far 5 95 5 - 5.3-6.6 HB2 HIS 10 - HB VAL 16 far 4 73 5 - 5.0-10.5 HD2 ARG 21 - HB VAL 16 far 0 71 0 - 9.3-12.5 HD3 ARG 21 - HB VAL 16 far 0 98 0 - 9.5-11.4 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * QG2 VAL 16 + HB VAL 16 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 16 + HB VAL 16 OK 83 83 100 100 2.1-2.1 2.1=100 QG1 VAL 48 - HB VAL 16 far 0 90 0 - 9.3-10.8 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-2.1 2.1=100 QG2 VAL 16 + HB VAL 16 OK 83 83 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 1194 from cnoeabs.peaks (7.83, 1.01, 23.28 ppm; 3.13 A): 1 out of 2 assignments used, quality = 0.98: * H VAL 16 + QG2 VAL 16 OK 98 100 100 98 3.2-3.4 516/2.1=64, 517=55...(14) H VAL 16 - QG1 VAL 48 far 0 51 0 - 8.9-10.7 Violated in 20 structures by 0.20 A. Peak 1195 from cnoeabs.peaks (3.23, 1.01, 23.28 ppm; 3.26 A): 1 out of 9 assignments used, quality = 1.00: * HA VAL 16 + QG2 VAL 16 OK 100 100 100 100 2.1-2.2 3.2=100 HB2 HIS 10 - QG2 VAL 16 far 11 73 15 - 3.3-8.2 HB2 HIS 13 - QG2 VAL 16 far 0 95 0 - 6.2-7.5 HA VAL 16 - QG1 VAL 48 far 0 51 0 - 7.1-8.6 HD2 ARG 21 - QG2 VAL 16 far 0 71 0 - 7.9-10.5 HD3 ARG 21 - QG2 VAL 16 far 0 98 0 - 8.2-9.9 HD2 ARG 21 - QG1 VAL 48 far 0 30 0 - 9.3-11.9 HD3 ARG 21 - QG1 VAL 48 far 0 48 0 - 9.3-11.7 HB2 HIS 10 - QG1 VAL 48 far 0 31 0 - 9.9-14.6 Violated in 0 structures by 0.00 A. Peak 1196 from cnoeabs.peaks (2.07, 1.01, 23.28 ppm; 3.11 A): 1 out of 10 assignments used, quality = 1.00: * HB VAL 16 + QG2 VAL 16 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LYS 22 - QG1 VAL 48 far 4 39 10 - 4.5-6.0 HG3 GLU 45 - QG1 VAL 48 far 0 51 0 - 4.8-6.3 HB3 GLU 45 - QG1 VAL 48 far 0 26 0 - 5.1-6.4 HB2 GLU 45 - QG1 VAL 48 far 0 23 0 - 5.3-7.0 HB2 GLN 63 - QG2 VAL 16 far 0 100 0 - 6.8-21.8 HB2 GLU 67 - QG2 VAL 16 far 0 96 0 - 7.5-24.4 HB2 LYS 22 - QG2 VAL 16 far 0 87 0 - 8.5-10.5 HG3 PRO 32 - QG1 VAL 48 far 0 31 0 - 9.2-11.2 HB VAL 16 - QG1 VAL 48 far 0 51 0 - 9.3-10.8 Violated in 0 structures by 0.00 A. Peak 1197 from cnoeabs.peaks (1.01, 1.01, 23.28 ppm; diagonal): 2 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 = 1.00: * H VAL 16 + QG1 VAL 16 OK 100 100 100 100 3.1-3.4 4.0=96, 516/2.1=89...(13) Violated in 0 structures by 0.00 A. Peak 1200 from cnoeabs.peaks (3.23, 1.03, 21.88 ppm; 3.37 A): 1 out of 5 assignments used, quality = 1.00: * HA VAL 16 + QG1 VAL 16 OK 100 100 100 100 2.8-3.1 3.2=100 HB2 HIS 13 - QG1 VAL 16 far 5 95 5 - 4.5-6.3 HB2 HIS 10 - QG1 VAL 16 far 0 73 0 - 5.3-10.6 HD2 ARG 21 - QG1 VAL 16 far 0 71 0 - 6.4-9.1 HD3 ARG 21 - QG1 VAL 16 far 0 98 0 - 6.5-8.6 Violated in 0 structures by 0.00 A. Peak 1201 from cnoeabs.peaks (2.07, 1.03, 21.88 ppm; 3.00 A): 1 out of 4 assignments used, quality = 1.00: * HB VAL 16 + QG1 VAL 16 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 GLN 63 - QG1 VAL 16 far 0 100 0 - 5.4-22.4 HB2 LYS 22 - QG1 VAL 16 far 0 87 0 - 8.5-10.3 HB2 GLU 67 - QG1 VAL 16 far 0 96 0 - 8.7-24.8 Violated in 0 structures by 0.00 A. 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): 2 out of 3 assignments used, quality = 1.00: * H ILE 17 + HA ILE 17 OK 100 100 100 100 2.8-2.9 3.0=100 H LEU 19 + HA ILE 17 OK 58 68 100 86 3.9-4.8 943=38, 4.6/950=32...(10) H LYS 22 - HA ILE 17 far 0 83 0 - 6.4-7.6 Violated in 0 structures by 0.00 A. 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): 2 out of 7 assignments used, quality = 1.00: * HB ILE 17 + HA ILE 17 OK 100 100 100 100 3.0-3.0 3.0=100 HG2 ARG 21 + HA ILE 17 OK 40 81 60 82 4.0-7.2 549/956=28, 4807/3.2=27...(10) HB2 ARG 61 - HA ILE 17 far 0 65 0 - 7.7-23.8 HG LEU 41 - HA ILE 17 far 0 60 0 - 8.2-9.9 HB3 MET 11 - HA ILE 17 far 0 100 0 - 8.6-10.5 HD2 LYS 22 - HA ILE 17 far 0 85 0 - 9.3-11.9 HB2 LYS 62 - HA ILE 17 far 0 97 0 - 9.5-26.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-2.4 3.2=100 Violated in 0 structures by 0.00 A. Peak 1208 from cnoeabs.peaks (1.08, 3.69, 64.32 ppm; 3.63 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 17 + HA ILE 17 OK 100 100 100 100 2.5-3.8 1226=98, 1.8/1233=70...(14) Violated in 2 structures by 0.01 A. 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 100 100 100 100 2.5-3.8 3.8=100 Violated in 0 structures by 0.00 A. Peak 1210 from cnoeabs.peaks (0.70, 3.69, 64.32 ppm; 3.78 A): 2 out of 3 assignments used, quality = 1.00: * QD1 ILE 17 + HA ILE 17 OK 100 100 100 100 2.1-3.9 1240=94, 2.1/1208=73...(16) HB2 LEU 19 + HA ILE 17 OK 46 98 60 78 4.7-6.9 4.0/943=40, 4.4/950=37...(7) QD1 LEU 41 - HA ILE 17 far 0 85 0 - 5.6-6.7 Violated in 4 structures by 0.01 A. Peak 1211 from cnoeabs.peaks (8.01, 1.84, 37.27 ppm; 3.18 A): 1 out of 3 assignments used, quality = 1.00: * H ILE 17 + HB ILE 17 OK 100 100 100 100 2.6-2.7 521=100, 522/2.1=59...(16) H LEU 19 - HB ILE 17 far 7 68 10 - 4.7-5.1 H LYS 22 - HB ILE 17 far 0 83 0 - 7.1-8.2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1217 from cnoeabs.peaks (0.70, 1.84, 37.27 ppm; 3.44 A): 1 out of 3 assignments used, quality = 1.00: * QD1 ILE 17 + HB ILE 17 OK 100 100 100 100 2.3-3.2 3.2=100 QD1 LEU 41 - HB ILE 17 far 8 85 10 - 4.9-6.7 HB2 LEU 19 - HB ILE 17 far 0 98 0 - 6.4-8.2 Violated in 0 structures by 0.00 A. Peak 1218 from cnoeabs.peaks (8.01, 0.81, 17.21 ppm; 3.69 A): 2 out of 3 assignments used, quality = 1.00: * H ILE 17 + QG2 ILE 17 OK 100 100 100 100 3.8-3.8 522=100, 521/2.1=86...(16) H LEU 19 + QG2 ILE 17 OK 53 68 95 82 4.6-5.2 3.6/4076=43, 4.7/35=33...(8) H LYS 22 - QG2 ILE 17 far 0 83 0 - 5.4-6.6 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-2.4 3.2=100 Violated in 0 structures by 0.00 A. Peak 1220 from cnoeabs.peaks (1.84, 0.81, 17.21 ppm; 2.91 A): 2 out of 8 assignments used, quality = 1.00: * HB ILE 17 + QG2 ILE 17 OK 100 100 100 100 2.1-2.1 2.1=100 HG2 ARG 21 + QG2 ILE 17 OK 57 81 85 83 2.1-4.9 2.9/4137=25, 2.9/4136=23...(11) HD2 LYS 22 - QG2 ILE 17 far 0 85 0 - 7.3-10.0 HG LEU 41 - QG2 ILE 17 far 0 60 0 - 7.6-9.2 HB2 ARG 61 - QG2 ILE 17 far 0 65 0 - 8.0-21.6 HB2 LYS 62 - QG2 ILE 17 far 0 97 0 - 8.0-23.7 HB3 MET 11 - QG2 ILE 17 far 0 100 0 - 8.9-10.5 HB2 LYS 60 - QG2 ILE 17 far 0 100 0 - 10.0-19.0 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.2 3.2=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.2 3.2=100 Violated in 0 structures by 0.00 A. Peak 1224 from cnoeabs.peaks (0.70, 0.81, 17.21 ppm; 2.97 A): 1 out of 3 assignments used, quality = 0.96: * QD1 ILE 17 + QG2 ILE 17 OK 96 100 100 96 1.9-2.1 3.3=77, 1240/3.2=32...(10) QD1 LEU 41 - QG2 ILE 17 far 0 85 0 - 5.5-6.7 HB2 LEU 19 - QG2 ILE 17 far 0 98 0 - 5.9-7.6 Violated in 0 structures by 0.00 A. Peak 1225 from cnoeabs.peaks (8.01, 1.08, 28.44 ppm; 3.63 A): 1 out of 3 assignments used, quality = 1.00: * H ILE 17 + HG12 ILE 17 OK 100 100 100 100 1.9-3.5 523=100, 524/1.8=83...(12) H LEU 19 - HG12 ILE 17 far 0 68 0 - 5.6-7.0 H LYS 22 - HG12 ILE 17 far 0 83 0 - 8.7-10.1 Violated in 0 structures by 0.00 A. Peak 1226 from cnoeabs.peaks (3.69, 1.08, 28.44 ppm; 3.65 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 17 + HG12 ILE 17 OK 100 100 100 100 2.5-3.8 1208=100, 1233/1.8=71...(14) Violated in 2 structures by 0.01 A. Peak 1227 from cnoeabs.peaks (1.84, 1.08, 28.44 ppm; 3.66 A): 1 out of 6 assignments used, quality = 1.00: * HB ILE 17 + HG12 ILE 17 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 ARG 21 - HG12 ILE 17 far 0 81 0 - 5.6-9.4 HB3 MET 11 - HG12 ILE 17 far 0 100 0 - 7.8-10.3 HB2 ARG 61 - HG12 ILE 17 far 0 65 0 - 8.0-26.3 HG LEU 41 - HG12 ILE 17 far 0 60 0 - 8.7-11.6 HB2 LYS 62 - HG12 ILE 17 far 0 97 0 - 9.4-29.5 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.2 3.2=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 1231 from cnoeabs.peaks (0.70, 1.08, 28.44 ppm; 3.16 A): 1 out of 3 assignments used, quality = 1.00: * QD1 ILE 17 + HG12 ILE 17 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 41 - HG12 ILE 17 far 0 85 0 - 5.9-8.2 HB2 LEU 19 - HG12 ILE 17 far 0 98 0 - 6.6-9.8 Violated in 0 structures by 0.00 A. Peak 1232 from cnoeabs.peaks (8.01, 1.38, 28.44 ppm; 3.48 A): 1 out of 3 assignments used, quality = 1.00: * H ILE 17 + HG13 ILE 17 OK 100 100 100 100 1.9-3.4 524=100, 523/1.8=77...(13) H LEU 19 - HG13 ILE 17 far 0 68 0 - 5.8-7.0 H LYS 22 - HG13 ILE 17 far 0 83 0 - 9.0-10.4 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.5-3.8 3.8=97, 1208/1.8=77...(14) Violated in 1 structures by 0.00 A. Peak 1234 from cnoeabs.peaks (1.84, 1.38, 28.44 ppm; 3.42 A): 1 out of 6 assignments used, quality = 1.00: * HB ILE 17 + HG13 ILE 17 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 ARG 21 - HG13 ILE 17 far 0 81 0 - 5.9-9.0 HB3 MET 11 - HG13 ILE 17 far 0 100 0 - 7.7-11.2 HG LEU 41 - HG13 ILE 17 far 0 60 0 - 8.8-11.6 HB2 ARG 61 - HG13 ILE 17 far 0 65 0 - 9.2-25.5 HB2 LYS 62 - HG13 ILE 17 far 0 97 0 - 9.7-28.5 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.2 3.2=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * QD1 ILE 17 + HG13 ILE 17 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 41 - HG13 ILE 17 far 0 85 0 - 5.7-8.0 HB2 LEU 19 - HG13 ILE 17 far 0 98 0 - 6.7-9.9 Violated in 0 structures by 0.00 A. Peak 1239 from cnoeabs.peaks (8.01, 0.70, 12.32 ppm; 4.11 A): 1 out of 3 assignments used, quality = 1.00: * H ILE 17 + QD1 ILE 17 OK 100 100 100 100 2.8-3.6 524/2.1=90, 523/2.1=89...(15) H LEU 19 - QD1 ILE 17 far 0 68 0 - 5.6-6.6 H LYS 22 - QD1 ILE 17 far 0 83 0 - 8.1-9.1 Violated in 0 structures by 0.00 A. Peak 1240 from cnoeabs.peaks (3.69, 0.70, 12.32 ppm; 3.86 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 17 + QD1 ILE 17 OK 100 100 100 100 2.1-3.9 4.2=80, 1208/2.1=75...(16) Violated in 4 structures by 0.00 A. Peak 1241 from cnoeabs.peaks (1.84, 0.70, 12.32 ppm; 3.50 A): 1 out of 7 assignments used, quality = 1.00: * HB ILE 17 + QD1 ILE 17 OK 100 100 100 100 2.3-3.2 3.2=100 HG2 ARG 21 - QD1 ILE 17 far 0 81 0 - 5.1-7.6 HB3 MET 11 - QD1 ILE 17 far 0 100 0 - 7.7-9.9 HB2 ARG 61 - QD1 ILE 17 far 0 65 0 - 8.5-23.2 HG LEU 41 - QD1 ILE 17 far 0 60 0 - 8.5-10.2 HB2 LYS 62 - QD1 ILE 17 far 0 97 0 - 9.1-25.7 HD2 LYS 22 - QD1 ILE 17 far 0 85 0 - 10.0-12.1 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.9-2.1 3.3=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * H GLU 18 + HA GLU 18 OK 100 100 100 100 2.7-2.8 3.0=100 QE PHE 52 - HA GLU 18 far 0 76 0 - 6.9-8.3 Violated in 0 structures by 0.00 A. 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): 3 out of 5 assignments used, quality = 1.00: * HB2 GLU 18 + HA GLU 18 OK 97 100 100 97 3.0-3.0 3.0=84, 3.0/1251=32...(17) HB3 GLU 18 + HA GLU 18 OK 97 100 100 97 2.4-2.7 3.0=84, 3.0/1251=32...(15) HB2 ARG 21 + HA GLU 18 OK 48 60 100 80 2.5-3.2 1.8/3696=26, 4.0/3692=22...(8) HB3 ARG 21 - HA GLU 18 poor 17 68 25 - 4.1-4.8 HB2 MET 11 - HA GLU 18 far 0 100 0 - 9.2-11.3 Violated in 0 structures by 0.00 A. Peak 1249 from cnoeabs.peaks (2.00, 4.19, 58.41 ppm; 2.83 A): 3 out of 5 assignments used, quality = 1.00: HB2 GLU 18 + HA GLU 18 OK 97 100 100 97 3.0-3.0 3.0=84, 3.0/1251=32...(17) * HB3 GLU 18 + HA GLU 18 OK 97 100 100 97 2.4-2.7 3.0=84, 3.0/1251=32...(15) HB2 ARG 21 + HA GLU 18 OK 48 60 100 80 2.5-3.2 1.8/3696=26, 4.0/3692=22...(8) HB3 ARG 21 - HA GLU 18 poor 17 68 25 - 4.1-4.8 HB2 MET 11 - HA GLU 18 far 0 100 0 - 9.2-11.3 Violated in 0 structures by 0.00 A. Peak 1250 from cnoeabs.peaks (2.28, 4.19, 58.41 ppm; 4.00 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 18 + HA GLU 18 OK 100 100 100 100 2.6-3.8 3.9=100 HG2 GLN 15 - HA GLU 18 far 0 78 0 - 6.5-8.6 Violated in 0 structures by 0.00 A. Peak 1251 from cnoeabs.peaks (2.41, 4.19, 58.41 ppm; 3.72 A): 1 out of 4 assignments used, quality = 0.99: * HG3 GLU 18 + HA GLU 18 OK 99 100 100 99 2.4-3.7 3.9=89, 531/3.0=45...(16) HG3 GLU 20 - HA GLU 18 far 5 90 5 - 5.0-6.7 HB3 LYS 22 - HA GLU 18 far 3 65 5 - 4.9-7.4 HG2 MET 11 - HA GLU 18 far 0 81 0 - 9.4-13.6 Violated in 5 structures by 0.00 A. Peak 1252 from cnoeabs.peaks (7.55, 2.00, 29.57 ppm; 3.54 A): 3 out of 7 assignments used, quality = 1.00: * H GLU 18 + HB2 GLU 18 OK 99 100 100 99 2.2-2.7 3.9=72, 1264/3.0=45...(18) H GLU 18 + HB3 GLU 18 OK 99 100 100 99 3.5-3.6 3.9=72, 1264/3.0=45...(15) HE21 GLN 63 + HB3 GLN 63 OK 36 68 100 53 2.0-4.5 4.6=46, 6.9/829=13 QE PHE 52 - HB2 GLU 18 far 0 76 0 - 6.2-8.3 QE PHE 52 - HB3 GLU 18 far 0 76 0 - 6.3-8.0 H TYR 57 - HB3 GLN 63 far 0 82 0 - 8.1-18.6 QE PHE 52 - HB3 GLN 63 far 0 62 0 - 9.9-23.6 Violated in 0 structures by 0.00 A. Peak 1253 from cnoeabs.peaks (4.19, 2.00, 29.57 ppm; 3.40 A): 2 out of 5 assignments used, quality = 1.00: HA GLU 18 + HB3 GLU 18 OK 100 100 100 100 2.4-2.7 3.0=100 * HA GLU 18 + HB2 GLU 18 OK 100 100 100 100 3.0-3.0 3.0=100 HA GLU 20 - HB3 GLN 63 far 0 53 0 - 5.7-22.9 HA GLU 20 - HB2 GLU 18 far 0 65 0 - 7.5-8.1 HA GLU 20 - HB3 GLU 18 far 0 65 0 - 7.5-8.4 Violated in 0 structures by 0.00 A. 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): 3 out of 5 assignments used, quality = 1.00: * HG2 GLU 18 + HB2 GLU 18 OK 100 100 100 100 2.2-2.6 3.0=100 HG2 GLU 18 + HB3 GLU 18 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 GLN 15 + HB2 GLU 18 OK 22 78 45 61 3.7-6.2 3.8/3674=18, 3.0/4022=14...(11) HG2 GLU 67 - HB3 GLN 63 far 0 89 0 - 5.2-17.0 HG2 GLN 15 - HB3 GLU 18 far 0 78 0 - 5.3-7.7 Violated in 0 structures by 0.00 A. Peak 1257 from cnoeabs.peaks (2.41, 2.00, 29.57 ppm; 3.32 A): 2 out of 10 assignments used, quality = 1.00: * HG3 GLU 18 + HB2 GLU 18 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 GLU 18 + HB3 GLU 18 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 ARG 55 - HB3 GLN 63 far 4 89 5 - 4.3-19.8 HG3 GLU 20 - HB3 GLN 63 far 4 76 5 - 4.6-24.4 HB3 LYS 22 - HB3 GLU 18 far 0 65 0 - 4.8-7.4 HB3 LYS 22 - HB2 GLU 18 far 0 65 0 - 5.5-8.2 HG3 GLU 20 - HB2 GLU 18 far 0 90 0 - 6.3-7.4 HG3 GLU 20 - HB3 GLU 18 far 0 90 0 - 6.9-8.2 HG2 MET 11 - HB2 GLU 18 far 0 81 0 - 7.0-11.1 HG2 MET 11 - HB3 GLU 18 far 0 81 0 - 7.9-12.7 Violated in 0 structures by 0.00 A. Peak 1258 from cnoeabs.peaks (7.55, 2.00, 29.57 ppm; 3.54 A): 3 out of 7 assignments used, quality = 1.00: H GLU 18 + HB2 GLU 18 OK 99 100 100 99 2.2-2.7 3.9=72, 1264/3.0=45...(18) * H GLU 18 + HB3 GLU 18 OK 99 100 100 99 3.5-3.6 3.9=72, 1264/3.0=45...(15) HE21 GLN 63 + HB3 GLN 63 OK 36 68 100 53 2.0-4.5 4.6=46, 6.9/829=13 QE PHE 52 - HB2 GLU 18 far 0 76 0 - 6.2-8.3 QE PHE 52 - HB3 GLU 18 far 0 76 0 - 6.3-8.0 H TYR 57 - HB3 GLN 63 far 0 82 0 - 8.1-18.6 QE PHE 52 - HB3 GLN 63 far 0 62 0 - 9.9-23.6 Violated in 0 structures by 0.00 A. Peak 1259 from cnoeabs.peaks (4.19, 2.00, 29.57 ppm; 3.40 A): 2 out of 5 assignments used, quality = 1.00: * HA GLU 18 + HB3 GLU 18 OK 100 100 100 100 2.4-2.7 3.0=100 HA GLU 18 + HB2 GLU 18 OK 100 100 100 100 3.0-3.0 3.0=100 HA GLU 20 - HB3 GLN 63 far 0 53 0 - 5.7-22.9 HA GLU 20 - HB2 GLU 18 far 0 65 0 - 7.5-8.1 HA GLU 20 - HB3 GLU 18 far 0 65 0 - 7.5-8.4 Violated in 0 structures by 0.00 A. 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): 3 out of 5 assignments used, quality = 1.00: HG2 GLU 18 + HB2 GLU 18 OK 100 100 100 100 2.2-2.6 3.0=100 * HG2 GLU 18 + HB3 GLU 18 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 GLN 15 + HB2 GLU 18 OK 22 78 45 61 3.7-6.2 3.8/3674=18, 3.0/4022=14...(11) HG2 GLU 67 - HB3 GLN 63 far 0 89 0 - 5.2-17.0 HG2 GLN 15 - HB3 GLU 18 far 0 78 0 - 5.3-7.7 Violated in 0 structures by 0.00 A. Peak 1263 from cnoeabs.peaks (2.41, 2.00, 29.57 ppm; 3.32 A): 2 out of 10 assignments used, quality = 1.00: HG3 GLU 18 + HB2 GLU 18 OK 100 100 100 100 2.3-3.0 3.0=100 * HG3 GLU 18 + HB3 GLU 18 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 ARG 55 - HB3 GLN 63 far 4 89 5 - 4.3-19.8 HG3 GLU 20 - HB3 GLN 63 far 4 76 5 - 4.6-24.4 HB3 LYS 22 - HB3 GLU 18 far 0 65 0 - 4.8-7.4 HB3 LYS 22 - HB2 GLU 18 far 0 65 0 - 5.5-8.2 HG3 GLU 20 - HB2 GLU 18 far 0 90 0 - 6.3-7.4 HG3 GLU 20 - HB3 GLU 18 far 0 90 0 - 6.9-8.2 HG2 MET 11 - HB2 GLU 18 far 0 81 0 - 7.0-11.1 HG2 MET 11 - HB3 GLU 18 far 0 81 0 - 7.9-12.7 Violated in 0 structures by 0.00 A. Peak 1264 from cnoeabs.peaks (7.55, 2.28, 35.25 ppm; 4.12 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 18 + HG2 GLU 18 OK 100 100 100 100 2.0-3.8 530=80, 531/1.8=68...(16) QE PHE 52 - HG2 GLU 18 far 0 76 0 - 8.3-9.9 Violated in 0 structures by 0.00 A. Peak 1265 from cnoeabs.peaks (4.19, 2.28, 35.25 ppm; 4.56 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 18 + HG2 GLU 18 OK 100 100 100 100 2.6-3.8 3.9=100 HA GLU 20 - HG2 GLU 18 far 0 65 0 - 8.7-9.9 Violated in 0 structures by 0.00 A. Peak 1266 from cnoeabs.peaks (2.00, 2.28, 35.25 ppm; 3.33 A): 2 out of 5 assignments used, quality = 1.00: * HB2 GLU 18 + HG2 GLU 18 OK 100 100 100 100 2.2-2.6 3.0=100 HB3 GLU 18 + HG2 GLU 18 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 ARG 21 - HG2 GLU 18 far 0 60 0 - 5.2-6.8 HB3 ARG 21 - HG2 GLU 18 far 0 68 0 - 6.6-8.2 HB2 MET 11 - HG2 GLU 18 far 0 100 0 - 6.9-10.7 Violated in 0 structures by 0.00 A. Peak 1267 from cnoeabs.peaks (2.00, 2.28, 35.25 ppm; 3.33 A): 2 out of 5 assignments used, quality = 1.00: HB2 GLU 18 + HG2 GLU 18 OK 100 100 100 100 2.2-2.6 3.0=100 * HB3 GLU 18 + HG2 GLU 18 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 ARG 21 - HG2 GLU 18 far 0 60 0 - 5.2-6.8 HB3 ARG 21 - HG2 GLU 18 far 0 68 0 - 6.6-8.2 HB2 MET 11 - HG2 GLU 18 far 0 100 0 - 6.9-10.7 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * HG3 GLU 18 + HG2 GLU 18 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLU 20 - HG2 GLU 18 far 0 90 0 - 6.7-9.2 HB3 LYS 22 - HG2 GLU 18 far 0 65 0 - 7.4-9.9 HG2 MET 11 - HG2 GLU 18 far 0 81 0 - 7.7-11.7 Violated in 0 structures by 0.00 A. Peak 1270 from cnoeabs.peaks (7.55, 2.41, 35.25 ppm; 3.91 A): 2 out of 6 assignments used, quality = 1.00: * H GLU 18 + HG3 GLU 18 OK 100 100 100 100 1.9-3.6 531=76, 1264/1.8=70...(18) H GLU 18 + HG3 GLU 20 OK 37 66 65 86 4.6-6.2 942/544=31, 4134/57=27...(10) HE21 GLN 63 - HG3 GLU 20 far 0 48 0 - 5.9-25.5 QE PHE 52 - HG3 GLU 20 far 0 43 0 - 6.6-8.2 QE PHE 52 - HG3 GLU 18 far 0 76 0 - 8.2-10.0 QE PHE 52 - HG3 GLN 47 far 0 38 0 - 9.3-10.4 Violated in 0 structures by 0.00 A. Peak 1271 from cnoeabs.peaks (4.19, 2.41, 35.25 ppm; 4.07 A): 2 out of 4 assignments used, quality = 1.00: * HA GLU 18 + HG3 GLU 18 OK 100 100 100 100 2.4-3.7 3.9=100 HA GLU 20 + HG3 GLU 20 OK 36 36 100 100 2.6-3.8 4.1=97, 3.0/544=58...(13) HA GLU 18 - HG3 GLU 20 poor 19 66 35 81 5.0-6.7 3692/57=40, 3691/544=33...(8) HA GLU 20 - HG3 GLU 18 far 0 65 0 - 8.6-9.9 Violated in 0 structures by 0.00 A. Peak 1272 from cnoeabs.peaks (2.00, 2.41, 35.25 ppm; 3.30 A): 2 out of 13 assignments used, quality = 1.00: * HB2 GLU 18 + HG3 GLU 18 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLU 18 + HG3 GLU 18 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLN 63 - HG3 GLU 20 far 3 66 5 - 4.6-24.4 HB2 ARG 21 - HG3 GLU 18 far 0 60 0 - 5.0-6.7 HB2 ARG 21 - HG3 GLU 20 far 0 33 0 - 5.2-7.1 HD3 ARG 55 - HG3 GLU 20 far 0 41 0 - 5.6-8.2 HB3 ARG 21 - HG3 GLU 20 far 0 38 0 - 6.0-8.0 HB2 GLU 18 - HG3 GLU 20 far 0 66 0 - 6.3-7.4 HB3 ARG 21 - HG3 GLU 18 far 0 68 0 - 6.4-8.3 HB3 GLU 18 - HG3 GLU 20 far 0 66 0 - 6.9-8.2 HB2 MET 11 - HG3 GLN 47 far 0 60 0 - 7.3-10.7 HB2 MET 11 - HG3 GLU 18 far 0 100 0 - 8.1-10.3 HB2 MET 11 - HG3 GLU 20 far 0 66 0 - 8.3-10.5 Violated in 0 structures by 0.00 A. Peak 1273 from cnoeabs.peaks (2.00, 2.41, 35.25 ppm; 3.30 A): 2 out of 13 assignments used, quality = 1.00: HB2 GLU 18 + HG3 GLU 18 OK 100 100 100 100 2.3-3.0 3.0=100 * HB3 GLU 18 + HG3 GLU 18 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLN 63 - HG3 GLU 20 far 3 66 5 - 4.6-24.4 HB2 ARG 21 - HG3 GLU 18 far 0 60 0 - 5.0-6.7 HB2 ARG 21 - HG3 GLU 20 far 0 33 0 - 5.2-7.1 HD3 ARG 55 - HG3 GLU 20 far 0 41 0 - 5.6-8.2 HB3 ARG 21 - HG3 GLU 20 far 0 38 0 - 6.0-8.0 HB2 GLU 18 - HG3 GLU 20 far 0 66 0 - 6.3-7.4 HB3 ARG 21 - HG3 GLU 18 far 0 68 0 - 6.4-8.3 HB3 GLU 18 - HG3 GLU 20 far 0 66 0 - 6.9-8.2 HB2 MET 11 - HG3 GLN 47 far 0 60 0 - 7.3-10.7 HB2 MET 11 - HG3 GLU 18 far 0 100 0 - 8.1-10.3 HB2 MET 11 - HG3 GLU 20 far 0 66 0 - 8.3-10.5 Violated in 0 structures by 0.00 A. Peak 1274 from cnoeabs.peaks (2.28, 2.41, 35.25 ppm; 2.72 A): 1 out of 6 assignments used, quality = 1.00: * HG2 GLU 18 + HG3 GLU 18 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLN 15 - HG3 GLU 18 far 0 78 0 - 4.6-7.5 HG2 GLU 18 - HG3 GLU 20 far 0 66 0 - 6.7-9.2 HG2 GLN 15 - HG3 GLU 20 far 0 45 0 - 7.9-10.3 HG2 GLN 15 - HG3 GLN 47 far 0 40 0 - 8.9-12.5 HG2 GLU 67 - HG3 GLN 47 far 0 59 0 - 9.3-35.0 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * H LEU 19 + HA LEU 19 OK 100 100 100 100 2.7-2.9 2.9=100 H ILE 17 - HA LEU 19 far 0 68 0 - 6.7-7.1 Violated in 0 structures by 0.00 A. 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): 2 out of 3 assignments used, quality = 1.00: * HB2 LEU 19 + HA LEU 19 OK 100 100 100 100 2.5-3.0 3.0=100 QD1 LEU 41 + HA LEU 19 OK 91 97 100 94 2.8-5.0 4816/1281=54...(12) QD1 ILE 17 - HA LEU 19 far 0 98 0 - 7.7-8.7 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1280 from cnoeabs.peaks (1.24, 3.64, 58.54 ppm; 3.89 A): 1 out of 3 assignments used, quality = 1.00: * HG LEU 19 + HA LEU 19 OK 100 100 100 100 2.5-3.0 3.7=100 HB2 LEU 43 - HA LEU 19 far 0 92 0 - 7.4-8.9 HB2 LEU 29 - HA LEU 19 far 0 100 0 - 8.2-10.1 Violated in 0 structures by 0.00 A. Peak 1281 from cnoeabs.peaks (0.53, 3.64, 58.54 ppm; 3.08 A): 1 out of 1 assignment used, quality = 0.94: * QD2 LEU 19 + HA LEU 19 OK 94 100 100 94 2.0-2.6 1305=55, 537/2.9=35...(13) Violated in 0 structures by 0.00 A. Peak 1282 from cnoeabs.peaks (-0.28, 3.64, 58.54 ppm; 4.49 A): 1 out of 3 assignments used, quality = 1.00: * QD1 LEU 19 + HA LEU 19 OK 100 100 100 100 3.8-4.0 4.0=100 HG2 ARG 55 - HA LEU 19 far 0 100 0 - 7.0-8.9 HB3 ARG 55 - HA LEU 19 far 0 100 0 - 8.1-9.3 Violated in 0 structures by 0.00 A. Peak 1283 from cnoeabs.peaks (7.98, 0.71, 37.72 ppm; 4.20 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 19 + HB2 LEU 19 OK 100 100 100 100 2.1-3.6 4.0=100 H ILE 17 + HB2 LEU 19 OK 37 68 65 82 4.9-7.0 3.6/3680=49, 3.0/1210=21...(9) Violated in 0 structures by 0.00 A. Peak 1284 from cnoeabs.peaks (3.64, 0.71, 37.72 ppm; 4.76 A): 2 out of 3 assignments used, quality = 1.00: * HA LEU 19 + HB2 LEU 19 OK 100 100 100 100 2.5-3.0 3.0=100 HA VAL 48 + HB2 LEU 19 OK 33 97 35 98 4.9-7.3 4579/3.1=62, 4580/3.1=56...(14) HA ALA 38 - HB2 LEU 19 far 0 65 0 - 8.1-9.4 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 1287 from cnoeabs.peaks (1.24, 0.71, 37.72 ppm; 4.43 A): 1 out of 2 assignments used, quality = 1.00: * HG LEU 19 + HB2 LEU 19 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 LEU 43 - HB2 LEU 19 far 0 92 0 - 8.0-9.4 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-3.2 3.1=100 Violated in 0 structures by 0.00 A. Peak 1289 from cnoeabs.peaks (-0.28, 0.71, 37.72 ppm; 4.23 A): 2 out of 3 assignments used, quality = 1.00: * QD1 LEU 19 + HB2 LEU 19 OK 100 100 100 100 2.0-2.7 3.1=100 HG2 ARG 55 + HB2 LEU 19 OK 58 100 75 77 4.6-7.6 ~4704=29, 1296/1.8=21...(13) HB3 ARG 55 - HB2 LEU 19 far 0 100 0 - 5.8-8.3 Violated in 0 structures by 0.00 A. Peak 1291 from cnoeabs.peaks (3.64, -0.76, 37.72 ppm; 5.30 A): 2 out of 4 assignments used, quality = 1.00: * HA LEU 19 + HB3 LEU 19 OK 100 100 100 100 2.4-3.0 3.0=100 HA VAL 48 + HB3 LEU 19 OK 77 97 80 99 4.9-7.1 4579/3.1=74, 4580/3.1=67...(15) HA ALA 38 - HB3 LEU 19 far 0 65 0 - 7.9-9.4 HA GLU 45 - HB3 LEU 19 far 0 100 0 - 9.7-12.4 Violated in 0 structures by 0.00 A. Peak 1292 from cnoeabs.peaks (0.71, -0.76, 37.72 ppm; 4.15 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LEU 19 + HB3 LEU 19 OK 100 100 100 100 1.8-1.8 1.8=100 QD1 LEU 41 + HB3 LEU 19 OK 86 97 90 98 3.2-5.9 4816/3.1=65, 4817/3.1=46...(12) QD1 ILE 17 - HB3 LEU 19 far 0 98 0 - 6.0-9.1 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * HG LEU 19 + HB3 LEU 19 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 LEU 43 - HB3 LEU 19 far 0 92 0 - 8.0-9.1 HB2 LEU 29 - HB3 LEU 19 far 0 100 0 - 9.1-12.6 HD2 LYS 27 - HB3 LEU 19 far 0 97 0 - 9.8-14.7 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-3.2 3.1=100 Violated in 0 structures by 0.00 A. Peak 1296 from cnoeabs.peaks (-0.28, -0.76, 37.72 ppm; 5.45 A): 2 out of 3 assignments used, quality = 1.00: * QD1 LEU 19 + HB3 LEU 19 OK 100 100 100 100 2.0-2.7 3.1=100 HG2 ARG 55 + HB3 LEU 19 OK 92 100 100 92 4.9-6.4 ~4704=52, 1289/1.8=36...(11) HB3 ARG 55 - HB3 LEU 19 poor 14 100 40 35 6.2-8.5 ~1289=25, ~2716=6, ~2717=6 Violated in 0 structures by 0.00 A. Peak 1297 from cnoeabs.peaks (7.98, 1.24, 25.70 ppm; 3.69 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 19 + HG LEU 19 OK 100 100 100 100 2.0-3.1 536=100, 537/2.1=60...(12) H ILE 17 - HG LEU 19 far 7 68 10 - 5.1-6.6 Violated in 0 structures by 0.00 A. Peak 1298 from cnoeabs.peaks (3.64, 1.24, 25.70 ppm; 4.09 A): 2 out of 4 assignments used, quality = 1.00: * HA LEU 19 + HG LEU 19 OK 100 100 100 100 2.5-3.0 3.7=100 HA VAL 48 + HG LEU 19 OK 23 97 25 96 5.2-6.1 4579/2.1=55, 4580/2.1=47...(14) HA ALA 38 - HG LEU 19 far 0 65 0 - 6.0-7.2 HA GLU 45 - HG LEU 19 far 0 100 0 - 9.3-10.8 Violated in 0 structures by 0.00 A. Peak 1299 from cnoeabs.peaks (0.71, 1.24, 25.70 ppm; 3.46 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LEU 19 + HG LEU 19 OK 100 100 100 100 2.5-3.0 3.0=100 QD1 LEU 41 + HG LEU 19 OK 92 97 100 94 1.9-3.3 4816/2.1=60, 4817/2.1=35...(12) QD1 ILE 17 - HG LEU 19 far 0 98 0 - 7.0-8.7 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.5-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 1303 from cnoeabs.peaks (-0.28, 1.24, 25.70 ppm; 4.11 A): 1 out of 3 assignments used, quality = 1.00: * QD1 LEU 19 + HG LEU 19 OK 100 100 100 100 2.1-2.1 2.1=100 HG2 ARG 55 - HG LEU 19 far 0 100 0 - 7.3-8.7 HB3 ARG 55 - HG LEU 19 far 0 100 0 - 8.4-10.4 Violated in 0 structures by 0.00 A. Peak 1304 from cnoeabs.peaks (7.98, 0.53, 23.51 ppm; 4.20 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 19 + QD2 LEU 19 OK 100 100 100 100 3.5-4.1 537=100, 536/2.1=90...(8) H ILE 17 - QD2 LEU 19 far 0 68 0 - 6.3-7.2 H HIS 36 - QD2 LEU 19 far 0 99 0 - 8.7-9.5 Violated in 0 structures by 0.00 A. Peak 1305 from cnoeabs.peaks (3.64, 0.53, 23.51 ppm; 3.03 A): 2 out of 4 assignments used, quality = 1.00: * HA LEU 19 + QD2 LEU 19 OK 99 100 100 99 2.0-2.6 1281=95, 2.9/537=33...(13) HA VAL 48 + QD2 LEU 19 OK 82 97 100 85 2.5-3.1 3.2/4825=24, 4579=23...(14) HA ALA 38 - QD2 LEU 19 poor 16 65 25 - 4.3-5.1 HA GLU 45 - QD2 LEU 19 far 0 100 0 - 6.3-7.3 Violated in 0 structures by 0.00 A. Peak 1306 from cnoeabs.peaks (0.71, 0.53, 23.51 ppm; 3.15 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LEU 19 + QD2 LEU 19 OK 100 100 100 100 2.2-3.2 3.1=100 QD1 LEU 41 + QD2 LEU 19 OK 95 97 100 97 1.8-3.8 4816=61, 4377/4378=35...(17) QD1 ILE 17 - QD2 LEU 19 far 0 98 0 - 7.4-8.7 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-3.2 3.1=100 Violated in 0 structures by 0.00 A. Peak 1308 from cnoeabs.peaks (1.24, 0.53, 23.51 ppm; 3.26 A): 2 out of 5 assignments used, quality = 1.00: * HG LEU 19 + QD2 LEU 19 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 43 + QD2 LEU 19 OK 54 92 70 84 4.2-5.2 3.1/4478=42, ~4703=21...(10) HB2 LEU 29 - QD2 LEU 19 far 0 100 0 - 7.2-8.3 QG2 THR 46 - QD2 LEU 19 far 0 97 0 - 7.8-8.3 HD2 LYS 27 - QD2 LEU 19 far 0 97 0 - 9.4-12.5 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * QD1 LEU 19 + QD2 LEU 19 OK 100 100 100 100 1.9-2.1 2.1=100 HG2 ARG 55 - QD2 LEU 19 far 0 100 0 - 5.0-6.9 HB3 ARG 55 - QD2 LEU 19 far 0 100 0 - 6.1-8.0 Violated in 0 structures by 0.00 A. Peak 1311 from cnoeabs.peaks (7.98, -0.28, 24.60 ppm; 5.70 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 19 + QD1 LEU 19 OK 100 100 100 100 3.1-3.6 4.7=100 H ILE 17 + QD1 LEU 19 OK 68 68 100 99 4.5-5.4 3.6/4769=91, 4.3/4768=72...(7) Violated in 0 structures by 0.00 A. Peak 1312 from cnoeabs.peaks (3.64, -0.28, 24.60 ppm; 4.75 A): 2 out of 4 assignments used, quality = 1.00: * HA LEU 19 + QD1 LEU 19 OK 100 100 100 100 3.8-4.0 4.0=100 HA VAL 48 + QD1 LEU 19 OK 96 97 100 100 3.6-4.8 4580=78, 4579/2.1=73...(17) HA ALA 38 - QD1 LEU 19 poor 16 65 25 - 5.8-6.9 HA GLU 45 - QD1 LEU 19 far 0 100 0 - 8.1-9.1 Violated in 0 structures by 0.00 A. Peak 1313 from cnoeabs.peaks (0.71, -0.28, 24.60 ppm; 3.87 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LEU 19 + QD1 LEU 19 OK 100 100 100 100 2.0-2.7 3.1=100 QD1 LEU 41 + QD1 LEU 19 OK 96 97 100 99 2.1-3.9 4816/2.1=73, 4817=50...(15) QD1 ILE 17 - QD1 LEU 19 far 0 98 0 - 6.0-7.2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.0-2.7 3.1=100 Violated in 0 structures by 0.00 A. Peak 1315 from cnoeabs.peaks (1.24, -0.28, 24.60 ppm; 4.34 A): 2 out of 4 assignments used, quality = 1.00: * HG LEU 19 + QD1 LEU 19 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 43 + QD1 LEU 19 OK 61 92 70 96 4.9-6.1 3.1/4703=70, ~4478=42...(7) QG2 THR 46 - QD1 LEU 19 far 0 97 0 - 8.3-9.3 HB2 LEU 29 - QD1 LEU 19 far 0 100 0 - 9.7-10.8 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.9-2.1 2.1=100 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * H GLU 20 + HA GLU 20 OK 100 100 100 100 2.8-2.9 3.0=100 H LEU 64 - HA GLU 20 far 0 71 0 - 6.8-25.3 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1321 from cnoeabs.peaks (2.04, 4.22, 59.07 ppm; 3.54 A): 1 out of 3 assignments used, quality = 1.00: * HB3 GLU 20 + HA GLU 20 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 LYS 22 - HA GLU 20 far 0 90 0 - 5.5-7.1 HB3 ARG 56 - HA GLU 20 far 0 100 0 - 8.6-11.3 Violated in 0 structures by 0.00 A. Peak 1322 from cnoeabs.peaks (2.46, 4.22, 59.07 ppm; 3.74 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLU 20 + HA GLU 20 OK 100 100 100 100 2.5-3.8 4.1=75, 543/3.0=60...(12) HG3 GLN 15 - HA GLU 20 far 0 78 0 - 9.3-12.6 HG3 MET 11 - HA GLU 20 far 0 81 0 - 9.6-13.7 Violated in 3 structures by 0.01 A. Peak 1323 from cnoeabs.peaks (2.42, 4.22, 59.07 ppm; 3.84 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLU 20 + HA GLU 20 OK 100 100 100 100 2.6-3.8 4.1=81, 544/3.0=62...(12) HD2 ARG 55 - HA GLU 20 lone 4 90 25 19 5.1-7.9 4720/4685=15, ~51=3 HG3 GLU 18 - HA GLU 20 far 0 90 0 - 8.6-9.9 Violated in 0 structures by 0.00 A. Peak 1324 from cnoeabs.peaks (8.41, 2.16, 28.89 ppm; 3.65 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 20 + HB2 GLU 20 OK 100 100 100 100 2.6-3.6 541=100, 542/1.8=77...(11) H LEU 64 - HB2 GLU 20 far 0 71 0 - 5.9-27.0 H LEU 64 - HB2 GLN 53 far 0 27 0 - 8.4-23.8 Violated in 0 structures by 0.00 A. Peak 1325 from cnoeabs.peaks (4.22, 2.16, 28.89 ppm; 4.03 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 20 + HB2 GLU 20 OK 100 100 100 100 2.3-3.0 3.0=100 HA GLU 18 - HB2 GLU 20 poor 20 65 55 55 4.9-7.3 3692/54=27, 948/541=23...(5) HA ARG 61 - HB2 GLU 20 far 0 78 0 - 5.8-19.8 Violated in 0 structures by 0.00 A. Peak 1326 from cnoeabs.peaks (2.16, 2.16, 28.89 ppm; diagonal): 2 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 3 assignments used, quality = 1.00: * HB3 GLU 20 + HB2 GLU 20 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ARG 56 - HB2 GLN 53 far 0 47 0 - 5.3-8.0 HB2 LYS 22 - HB2 GLU 20 far 0 90 0 - 6.8-8.9 Violated in 0 structures by 0.00 A. Peak 1328 from cnoeabs.peaks (2.46, 2.16, 28.89 ppm; 3.47 A): 2 out of 4 assignments used, quality = 1.00: * HG2 GLU 20 + HB2 GLU 20 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 GLN 53 + HB2 GLN 53 OK 27 27 100 100 2.2-2.6 3.0=100 HB2 ASN 54 - HB2 GLN 53 far 0 42 0 - 5.4-5.9 HG3 GLN 15 - HB2 GLU 20 far 0 78 0 - 9.4-12.9 Violated in 0 structures by 0.00 A. Peak 1329 from cnoeabs.peaks (2.42, 2.16, 28.89 ppm; 3.40 A): 2 out of 6 assignments used, quality = 1.00: * HG3 GLU 20 + HB2 GLU 20 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 GLN 53 + HB2 GLN 53 OK 39 39 100 100 2.2-2.6 3.0=100 HD2 ARG 55 - HB2 GLU 20 far 0 90 0 - 5.8-10.1 HD2 ARG 55 - HB2 GLN 53 far 0 38 0 - 6.3-9.8 HG3 GLU 18 - HB2 GLU 20 far 0 90 0 - 6.9-10.3 HG3 GLN 47 - HB2 GLN 53 far 0 33 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 1330 from cnoeabs.peaks (8.41, 2.04, 28.89 ppm; 3.65 A): 1 out of 5 assignments used, quality = 1.00: * H GLU 20 + HB3 GLU 20 OK 100 100 100 100 2.5-3.6 542=100, 541/1.8=80...(11) H LEU 64 - HB3 GLU 20 far 0 71 0 - 5.2-25.2 H ALA 38 - HB2 GLU 45 far 0 37 0 - 5.8-8.0 H ALA 38 - HB3 GLU 45 far 0 35 0 - 5.9-7.7 H GLU 67 - HB3 GLU 20 far 0 97 0 - 9.7-26.2 Violated in 0 structures by 0.00 A. Peak 1331 from cnoeabs.peaks (4.22, 2.04, 28.89 ppm; 3.89 A): 1 out of 7 assignments used, quality = 1.00: * HA GLU 20 + HB3 GLU 20 OK 100 100 100 100 2.4-3.0 3.0=100 HA GLU 18 - HB3 GLU 20 poor 13 65 20 - 5.0-7.2 HA ALA 31 - HB2 GLU 45 far 0 62 0 - 5.5-9.1 HA ALA 31 - HB3 GLU 45 far 0 60 0 - 5.7-7.9 HA ARG 61 - HB3 GLU 20 far 0 78 0 - 5.7-18.1 HB3 SER 30 - HB2 GLU 45 far 0 67 0 - 9.1-13.5 HB3 SER 30 - HB3 GLU 45 far 0 64 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 1332 from cnoeabs.peaks (2.16, 2.04, 28.89 ppm; 2.87 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLU 20 + HB3 GLU 20 OK 100 100 100 100 1.8-1.8 1.8=100 HB VAL 48 - HB3 GLU 45 far 3 65 5 - 4.3-5.7 HB VAL 48 - HB2 GLU 45 far 0 67 0 - 4.6-6.2 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HG2 GLU 20 + HB3 GLU 20 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 GLN 15 - HB3 GLU 20 far 0 78 0 - 8.9-12.9 Violated in 0 structures by 0.00 A. Peak 1335 from cnoeabs.peaks (2.42, 2.04, 28.89 ppm; 3.25 A): 3 out of 7 assignments used, quality = 1.00: * HG3 GLU 20 + HB3 GLU 20 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 GLU 45 + HB2 GLU 45 OK 40 40 100 100 2.3-3.0 3.0=100 HG2 GLU 45 + HB3 GLU 45 OK 39 39 100 100 2.6-3.0 3.0=100 HD2 ARG 55 - HB3 GLU 20 far 0 90 0 - 4.9-10.0 HG3 GLU 18 - HB3 GLU 20 far 0 90 0 - 7.0-10.4 HG3 GLN 47 - HB2 GLU 45 far 0 49 0 - 7.3-8.6 HG3 GLN 47 - HB3 GLU 45 far 0 47 0 - 7.9-8.9 Violated in 0 structures by 0.00 A. Peak 1336 from cnoeabs.peaks (8.41, 2.46, 35.40 ppm; 4.13 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 20 + HG2 GLU 20 OK 100 100 100 100 2.1-3.2 543=100, 544/1.8=88...(13) H LEU 64 - HG2 GLU 20 far 4 71 5 - 5.1-25.8 Violated in 0 structures by 0.00 A. Peak 1337 from cnoeabs.peaks (4.22, 2.46, 35.40 ppm; 4.45 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 20 + HG2 GLU 20 OK 100 100 100 100 2.5-3.8 4.1=100 HA GLU 18 - HG2 GLU 20 far 10 65 15 - 5.1-7.0 HA ARG 61 - HG2 GLU 20 far 4 78 5 - 5.7-19.1 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1339 from cnoeabs.peaks (2.04, 2.46, 35.40 ppm; 3.59 A): 1 out of 3 assignments used, quality = 1.00: * HB3 GLU 20 + HG2 GLU 20 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LYS 22 - HG2 GLU 20 far 0 90 0 - 6.7-9.4 HB3 ARG 56 - HG2 GLU 20 far 0 100 0 - 9.8-13.7 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HG3 GLU 20 + HG2 GLU 20 OK 100 100 100 100 1.8-1.8 1.8=100 HD2 ARG 55 - HG2 GLU 20 far 5 90 5 - 4.0-8.7 HG3 GLU 18 - HG2 GLU 20 far 0 90 0 - 6.6-9.5 Violated in 0 structures by 0.00 A. Peak 1342 from cnoeabs.peaks (8.41, 2.42, 35.40 ppm; 4.18 A): 1 out of 4 assignments used, quality = 1.00: * H GLU 20 + HG3 GLU 20 OK 100 100 100 100 2.0-3.0 544=100, 543/1.8=90...(15) H LEU 64 - HG3 GLU 20 far 4 71 5 - 5.4-27.3 H GLU 20 - HG3 GLU 18 far 0 66 0 - 5.9-7.5 H ALA 38 - HG3 GLU 18 far 0 36 0 - 8.4-11.3 Violated in 0 structures by 0.00 A. Peak 1343 from cnoeabs.peaks (4.22, 2.42, 35.40 ppm; 4.15 A): 2 out of 5 assignments used, quality = 1.00: * HA GLU 20 + HG3 GLU 20 OK 100 100 100 100 2.6-3.8 4.1=100 HA GLU 18 + HG3 GLU 18 OK 36 36 100 100 2.4-3.7 3.9=100 HA GLU 18 - HG3 GLU 20 poor 18 65 40 67 5.0-6.7 3692/57=25, 948/544=22...(7) HA ARG 61 - HG3 GLU 20 far 0 78 0 - 6.8-19.6 HA GLU 20 - HG3 GLU 18 far 0 66 0 - 8.6-9.9 Violated in 0 structures by 0.00 A. Peak 1344 from cnoeabs.peaks (2.16, 2.42, 35.40 ppm; 3.72 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLU 20 + HG3 GLU 20 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 GLU 20 - HG3 GLU 18 far 0 66 0 - 6.9-10.3 HB3 LYS 42 - HG3 GLU 18 far 0 61 0 - 8.8-11.2 Violated in 0 structures by 0.00 A. Peak 1345 from cnoeabs.peaks (2.04, 2.42, 35.40 ppm; 3.46 A): 1 out of 4 assignments used, quality = 1.00: * HB3 GLU 20 + HG3 GLU 20 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LYS 22 - HG3 GLU 18 far 0 54 0 - 6.8-9.5 HB3 GLU 20 - HG3 GLU 18 far 0 66 0 - 7.0-10.4 HB2 LYS 22 - HG3 GLU 20 far 0 90 0 - 7.1-9.6 Violated in 0 structures by 0.00 A. Peak 1346 from cnoeabs.peaks (2.46, 2.42, 35.40 ppm; 2.46 A): 1 out of 6 assignments used, quality = 1.00: * HG2 GLU 20 + HG3 GLU 20 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLN 15 - HG3 GLU 18 far 0 45 0 - 4.7-8.0 HG2 GLU 20 - HG3 GLU 18 far 0 66 0 - 6.6-9.5 HG3 GLN 15 - HG3 GLU 20 far 0 78 0 - 7.5-10.3 HG3 MET 11 - HG3 GLU 20 far 0 81 0 - 8.8-12.7 HG3 MET 11 - HG3 GLU 18 far 0 47 0 - 9.1-11.8 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * H ARG 21 + HA ARG 21 OK 100 100 100 100 2.7-2.8 2.9=100 H LYS 62 - HA ARG 56 far 0 88 0 - 6.5-11.8 H ASN 54 - HA ARG 56 far 0 78 0 - 6.9-7.4 H LYS 62 - HA ARG 21 far 0 97 0 - 7.8-22.4 Violated in 0 structures by 0.00 A. 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 6 assignments used, quality = 1.00: * HB2 ARG 21 + HA ARG 21 OK 99 100 100 99 2.9-3.0 3.0=89, 3.0/1352=38...(22) HB3 ARG 21 + HA ARG 21 OK 99 100 100 99 2.4-2.7 3.0=89, 3.0/1352=38...(22) HD3 LYS 22 - HA ARG 21 far 0 99 0 - 5.6-8.2 HD3 ARG 55 - HA ARG 56 far 0 92 0 - 6.8-7.9 HB3 GLU 18 - HA ARG 21 far 0 60 0 - 7.0-7.8 HB2 GLU 18 - HA ARG 21 far 0 60 0 - 7.8-8.4 Violated in 0 structures by 0.00 A. Peak 1351 from cnoeabs.peaks (1.97, 4.07, 59.55 ppm; 2.88 A): 2 out of 8 assignments used, quality = 1.00: * HB3 ARG 21 + HA ARG 21 OK 99 100 100 99 2.4-2.7 3.0=89, 3.0/1352=38...(22) HB2 ARG 21 + HA ARG 21 OK 99 100 100 99 2.9-3.0 3.0=89, 3.0/1352=38...(22) HD3 LYS 22 - HA ARG 21 far 0 98 0 - 5.6-8.2 HB3 GLN 63 - HA ARG 21 far 0 65 0 - 6.2-25.6 HD3 ARG 55 - HA ARG 56 far 0 93 0 - 6.8-7.9 HB3 GLU 18 - HA ARG 21 far 0 68 0 - 7.0-7.8 HB2 GLU 18 - HA ARG 21 far 0 68 0 - 7.8-8.4 HB3 GLN 63 - HA ARG 56 far 0 56 0 - 8.3-17.0 Violated in 0 structures by 0.00 A. Peak 1352 from cnoeabs.peaks (1.86, 4.07, 59.55 ppm; 3.41 A): 1 out of 4 assignments used, quality = 1.00: * HG2 ARG 21 + HA ARG 21 OK 100 100 100 100 2.1-3.4 1373=72, 1.8/1353=66...(20) HB2 LYS 60 - HA ARG 56 far 3 64 5 - 4.3-9.9 HB ILE 17 - HA ARG 21 far 0 81 0 - 7.4-8.3 HG LEU 41 - HA ARG 21 far 0 99 0 - 9.6-11.5 Violated in 4 structures by 0.01 A. Peak 1353 from cnoeabs.peaks (1.60, 4.07, 59.55 ppm; 3.59 A): 1 out of 7 assignments used, quality = 1.00: * HG3 ARG 21 + HA ARG 21 OK 100 100 100 100 2.3-3.7 1381=87, 1.8/1352=78...(22) HG2 ARG 61 - HA ARG 56 far 5 90 5 - 4.3-13.2 HG3 ARG 61 - HA ARG 56 far 0 89 0 - 5.5-12.4 HG3 ARG 61 - HA ARG 21 far 0 98 0 - 7.6-22.4 HB3 LEU 64 - HA ARG 21 far 0 95 0 - 8.3-29.8 HB3 LEU 64 - HA ARG 56 far 0 85 0 - 8.3-19.5 HG2 ARG 61 - HA ARG 21 far 0 99 0 - 9.1-22.7 Violated in 5 structures by 0.03 A. Peak 1354 from cnoeabs.peaks (3.20, 4.07, 59.55 ppm; 4.21 A): 1 out of 2 assignments used, quality = 1.00: * HD2 ARG 21 + HA ARG 21 OK 100 100 100 100 2.0-4.4 2.9/1352=76, 2.9/1353=73...(19) HA VAL 16 - HA ARG 21 far 0 71 0 - 9.4-10.2 Violated in 10 structures by 0.04 A. Peak 1355 from cnoeabs.peaks (3.23, 4.07, 59.55 ppm; 4.62 A): 1 out of 2 assignments used, quality = 1.00: * HD3 ARG 21 + HA ARG 21 OK 100 100 100 100 2.3-4.7 4.9=86, 2.9/1352=86...(17) HA VAL 16 - HA ARG 21 far 0 98 0 - 9.4-10.2 Violated in 7 structures by 0.02 A. Peak 1356 from cnoeabs.peaks (8.31, 1.97, 30.19 ppm; 3.21 A): 2 out of 5 assignments used, quality = 1.00: * H ARG 21 + HB2 ARG 21 OK 99 100 100 99 2.1-2.7 4.0=51, 549/3.0=42...(18) H ARG 21 + HB3 ARG 21 OK 99 100 100 99 3.5-3.6 4.0=51, 549/3.0=42...(17) H LYS 62 - HB3 GLU 67 far 0 69 0 - 7.6-15.8 H ASN 54 - HB3 GLU 67 far 0 59 0 - 9.4-25.8 H LYS 62 - HB3 ARG 21 far 0 97 0 - 9.9-24.6 Violated in 0 structures by 0.00 A. Peak 1357 from cnoeabs.peaks (4.07, 1.97, 30.19 ppm; 3.28 A): 2 out of 8 assignments used, quality = 1.00: * HA ARG 21 + HB2 ARG 21 OK 100 100 100 100 2.9-3.0 3.0=100 HA ARG 21 + HB3 ARG 21 OK 100 100 100 100 2.4-2.7 3.0=100 HA SER 24 - HB3 ARG 21 far 0 98 0 - 7.2-7.8 HA LEU 37 - HB2 ARG 21 far 0 97 0 - 7.4-8.7 HA SER 24 - HB2 ARG 21 far 0 99 0 - 7.7-8.3 HA LEU 37 - HB3 ARG 21 far 0 96 0 - 8.1-10.0 HA SER 24 - HB3 GLU 67 far 0 71 0 - 8.8-27.3 HB THR 14 - HB2 ARG 21 far 0 68 0 - 9.9-11.8 Violated in 0 structures by 0.00 A. 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 9 assignments used, quality = 1.00: * HG2 ARG 21 + HB2 ARG 21 OK 99 100 100 99 2.3-2.9 3.0=84, 1352/3.0=35...(18) HG2 ARG 21 + HB3 ARG 21 OK 99 100 100 99 2.7-3.0 3.0=84, 1352/3.0=35...(18) HB ILE 17 - HB2 ARG 21 far 0 81 0 - 5.9-6.8 HB ILE 17 - HB3 ARG 21 far 0 80 0 - 7.0-8.1 HG LEU 41 - HB2 ARG 21 far 0 99 0 - 7.2-9.2 HG LEU 41 - HB3 ARG 21 far 0 98 0 - 8.3-10.9 HB3 MET 11 - HB3 GLU 67 far 0 47 0 - 9.4-31.8 HB2 GLU 33 - HB3 ARG 21 far 0 72 0 - 9.5-11.6 HB2 GLU 33 - HB2 ARG 21 far 0 73 0 - 9.6-11.8 Violated in 0 structures by 0.00 A. Peak 1361 from cnoeabs.peaks (1.60, 1.97, 30.19 ppm; 3.29 A): 2 out of 11 assignments used, quality = 1.00: * HG3 ARG 21 + HB2 ARG 21 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 ARG 21 + HB3 ARG 21 OK 100 100 100 100 2.2-2.8 3.0=100 HB3 LEU 68 - HB3 GLU 67 far 0 41 0 - 5.4-7.8 HG LEU 68 - HB3 GLU 67 far 0 68 0 - 5.6-8.9 HB3 LEU 64 - HB3 GLU 67 far 0 65 0 - 6.7-13.5 HG2 ARG 61 - HB3 GLU 67 far 0 70 0 - 8.2-19.5 HB2 LEU 41 - HB2 ARG 21 far 0 95 0 - 9.3-11.2 HG3 ARG 61 - HB3 GLU 67 far 0 70 0 - 9.4-19.4 HG3 ARG 61 - HB3 ARG 21 far 0 97 0 - 9.7-24.6 HB3 LEU 64 - HB3 ARG 21 far 0 94 0 - 9.8-32.0 HB3 LEU 64 - HB2 ARG 21 far 0 95 0 - 9.9-32.1 Violated in 0 structures by 0.00 A. Peak 1362 from cnoeabs.peaks (3.20, 1.97, 30.19 ppm; 3.66 A): 2 out of 8 assignments used, quality = 1.00: * HD2 ARG 21 + HB2 ARG 21 OK 100 100 100 100 2.1-4.2 3.5=100 HD2 ARG 21 + HB3 ARG 21 OK 100 100 100 100 2.2-3.9 3.5=100 HA VAL 16 - HB2 ARG 21 far 0 71 0 - 8.0-9.0 HB3 HIS 36 - HB2 ARG 21 far 0 96 0 - 9.2-11.2 HB2 HIS 10 - HB3 GLU 67 far 0 74 0 - 9.4-35.4 HB3 HIS 36 - HB3 ARG 21 far 0 95 0 - 9.4-11.6 HA VAL 16 - HB3 ARG 21 far 0 70 0 - 9.7-10.5 HB2 HIS 36 - HB2 ARG 21 far 0 96 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 1363 from cnoeabs.peaks (3.23, 1.97, 30.19 ppm; 3.47 A): 2 out of 4 assignments used, quality = 1.00: * HD3 ARG 21 + HB2 ARG 21 OK 100 100 100 100 2.0-4.0 3.5=95, 1355/3.0=35...(15) HD3 ARG 21 + HB3 ARG 21 OK 100 100 100 100 2.5-4.0 3.5=95, 1355/3.0=35...(15) HA VAL 16 - HB2 ARG 21 far 0 98 0 - 8.0-9.0 HA VAL 16 - HB3 ARG 21 far 0 97 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 1364 from cnoeabs.peaks (8.31, 1.97, 30.19 ppm; 3.21 A): 2 out of 5 assignments used, quality = 1.00: * H ARG 21 + HB3 ARG 21 OK 99 100 100 99 3.5-3.6 4.0=51, 549/3.0=42...(17) H ARG 21 + HB2 ARG 21 OK 99 100 100 99 2.1-2.7 4.0=51, 549/3.0=42...(18) H LYS 62 - HB3 GLU 67 far 0 63 0 - 7.6-15.8 H ASN 54 - HB3 GLU 67 far 0 54 0 - 9.4-25.8 H LYS 62 - HB3 ARG 21 far 0 97 0 - 9.9-24.6 Violated in 0 structures by 0.00 A. Peak 1365 from cnoeabs.peaks (4.07, 1.97, 30.19 ppm; 3.28 A): 2 out of 8 assignments used, quality = 1.00: * HA ARG 21 + HB3 ARG 21 OK 100 100 100 100 2.4-2.7 3.0=100 HA ARG 21 + HB2 ARG 21 OK 100 100 100 100 2.9-3.0 3.0=100 HA SER 24 - HB3 ARG 21 far 0 99 0 - 7.2-7.8 HA LEU 37 - HB2 ARG 21 far 0 96 0 - 7.4-8.7 HA SER 24 - HB2 ARG 21 far 0 98 0 - 7.7-8.3 HA LEU 37 - HB3 ARG 21 far 0 97 0 - 8.1-10.0 HA SER 24 - HB3 GLU 67 far 0 65 0 - 8.8-27.3 HB THR 14 - HB2 ARG 21 far 0 67 0 - 9.9-11.8 Violated in 0 structures by 0.00 A. 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 9 assignments used, quality = 1.00: * HG2 ARG 21 + HB3 ARG 21 OK 99 100 100 99 2.7-3.0 3.0=84, 1352/3.0=35...(18) HG2 ARG 21 + HB2 ARG 21 OK 99 100 100 99 2.3-2.9 3.0=84, 1352/3.0=35...(18) HB ILE 17 - HB2 ARG 21 far 0 80 0 - 5.9-6.8 HB ILE 17 - HB3 ARG 21 far 0 81 0 - 7.0-8.1 HG LEU 41 - HB2 ARG 21 far 0 98 0 - 7.2-9.2 HG LEU 41 - HB3 ARG 21 far 0 99 0 - 8.3-10.9 HB3 MET 11 - HB3 GLU 67 far 0 42 0 - 9.4-31.8 HB2 GLU 33 - HB3 ARG 21 far 0 73 0 - 9.5-11.6 HB2 GLU 33 - HB2 ARG 21 far 0 72 0 - 9.6-11.8 Violated in 0 structures by 0.00 A. Peak 1369 from cnoeabs.peaks (1.60, 1.97, 30.19 ppm; 3.29 A): 2 out of 11 assignments used, quality = 1.00: * HG3 ARG 21 + HB3 ARG 21 OK 100 100 100 100 2.2-2.8 3.0=100 HG3 ARG 21 + HB2 ARG 21 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LEU 68 - HB3 GLU 67 far 0 37 0 - 5.4-7.8 HG LEU 68 - HB3 GLU 67 far 0 62 0 - 5.6-8.9 HB3 LEU 64 - HB3 GLU 67 far 0 60 0 - 6.7-13.5 HG2 ARG 61 - HB3 GLU 67 far 0 65 0 - 8.2-19.5 HB2 LEU 41 - HB2 ARG 21 far 0 94 0 - 9.3-11.2 HG3 ARG 61 - HB3 GLU 67 far 0 64 0 - 9.4-19.4 HG3 ARG 61 - HB3 ARG 21 far 0 98 0 - 9.7-24.6 HB3 LEU 64 - HB3 ARG 21 far 0 95 0 - 9.8-32.0 HB3 LEU 64 - HB2 ARG 21 far 0 94 0 - 9.9-32.1 Violated in 0 structures by 0.00 A. Peak 1370 from cnoeabs.peaks (3.20, 1.97, 30.19 ppm; 3.66 A): 2 out of 8 assignments used, quality = 1.00: * HD2 ARG 21 + HB3 ARG 21 OK 100 100 100 100 2.2-3.9 3.5=100 HD2 ARG 21 + HB2 ARG 21 OK 100 100 100 100 2.1-4.2 3.5=100 HA VAL 16 - HB2 ARG 21 far 0 70 0 - 8.0-9.0 HB3 HIS 36 - HB2 ARG 21 far 0 95 0 - 9.2-11.2 HB2 HIS 10 - HB3 GLU 67 far 0 68 0 - 9.4-35.4 HB3 HIS 36 - HB3 ARG 21 far 0 96 0 - 9.4-11.6 HA VAL 16 - HB3 ARG 21 far 0 71 0 - 9.7-10.5 HB2 HIS 36 - HB2 ARG 21 far 0 95 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 1371 from cnoeabs.peaks (3.23, 1.97, 30.19 ppm; 3.47 A): 2 out of 4 assignments used, quality = 1.00: * HD3 ARG 21 + HB3 ARG 21 OK 100 100 100 100 2.5-4.0 3.5=95, 1355/3.0=35...(15) HD3 ARG 21 + HB2 ARG 21 OK 100 100 100 100 2.0-4.0 3.5=95, 1355/3.0=35...(15) HA VAL 16 - HB2 ARG 21 far 0 97 0 - 8.0-9.0 HA VAL 16 - HB3 ARG 21 far 0 98 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 1372 from cnoeabs.peaks (8.31, 1.86, 27.31 ppm; 4.33 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 21 + HG2 ARG 21 OK 100 100 100 100 2.1-3.7 549=100, 2.9/1352=79...(18) Violated in 0 structures by 0.00 A. Peak 1373 from cnoeabs.peaks (4.07, 1.86, 27.31 ppm; 3.80 A): 1 out of 4 assignments used, quality = 1.00: * HA ARG 21 + HG2 ARG 21 OK 100 100 100 100 2.1-3.4 1352=100, 1353/1.8=80...(20) HA SER 24 - HG2 ARG 21 far 0 99 0 - 7.3-8.9 HA LEU 37 - HG2 ARG 21 far 0 97 0 - 8.9-10.9 HB THR 14 - HG2 ARG 21 far 0 68 0 - 9.1-12.3 Violated in 0 structures by 0.00 A. Peak 1374 from cnoeabs.peaks (1.97, 1.86, 27.31 ppm; 2.93 A): 2 out of 5 assignments used, quality = 1.00: * HB2 ARG 21 + HG2 ARG 21 OK 100 100 100 100 2.3-2.9 3.0=96, 3.0/1352=39...(18) HB3 ARG 21 + HG2 ARG 21 OK 100 100 100 100 2.7-3.0 3.0=96, 3.0/1352=39...(18) HB3 GLU 18 - HG2 ARG 21 far 0 60 0 - 4.5-7.2 HB2 GLU 18 - HG2 ARG 21 far 0 60 0 - 5.2-8.0 HD3 LYS 22 - HG2 ARG 21 far 0 99 0 - 5.4-9.1 Violated in 0 structures by 0.00 A. Peak 1375 from cnoeabs.peaks (1.97, 1.86, 27.31 ppm; 2.93 A): 2 out of 6 assignments used, quality = 1.00: * HB3 ARG 21 + HG2 ARG 21 OK 100 100 100 100 2.7-3.0 3.0=96, 3.0/1352=39...(18) HB2 ARG 21 + HG2 ARG 21 OK 100 100 100 100 2.3-2.9 3.0=96, 3.0/1352=39...(18) HB3 GLU 18 - HG2 ARG 21 far 0 68 0 - 4.5-7.2 HB2 GLU 18 - HG2 ARG 21 far 0 68 0 - 5.2-8.0 HD3 LYS 22 - HG2 ARG 21 far 0 98 0 - 5.4-9.1 HB3 GLN 63 - HG2 ARG 21 far 0 65 0 - 6.4-26.9 Violated in 0 structures by 0.00 A. 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 5 assignments used, quality = 1.00: * HG3 ARG 21 + HG2 ARG 21 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LEU 64 - HG2 ARG 21 far 0 95 0 - 7.1-31.2 HG3 ARG 61 - HG2 ARG 21 far 0 98 0 - 9.2-24.4 HB3 GLN 15 - HG2 ARG 21 far 0 60 0 - 9.6-13.3 HB2 LEU 41 - HG2 ARG 21 far 0 95 0 - 9.9-13.3 Violated in 0 structures by 0.00 A. Peak 1378 from cnoeabs.peaks (3.20, 1.86, 27.31 ppm; 3.46 A): 1 out of 2 assignments used, quality = 1.00: * HD2 ARG 21 + HG2 ARG 21 OK 100 100 100 100 2.3-3.0 2.9=100 HA VAL 16 - HG2 ARG 21 far 0 71 0 - 7.6-10.7 Violated in 0 structures by 0.00 A. Peak 1379 from cnoeabs.peaks (3.23, 1.86, 27.31 ppm; 3.40 A): 1 out of 2 assignments used, quality = 1.00: * HD3 ARG 21 + HG2 ARG 21 OK 100 100 100 100 2.3-3.0 2.9=100 HA VAL 16 - HG2 ARG 21 far 0 98 0 - 7.6-10.7 Violated in 0 structures by 0.00 A. Peak 1380 from cnoeabs.peaks (8.31, 1.60, 27.31 ppm; 4.66 A): 3 out of 6 assignments used, quality = 1.00: * H ARG 21 + HG3 ARG 21 OK 100 100 100 100 2.7-4.3 550=100, 549/1.8=96...(15) H LYS 62 + HG2 ARG 61 OK 91 91 100 100 2.0-5.3 5.0=82, 328/2.9=80...(13) H LYS 62 + HG3 ARG 61 OK 89 89 100 100 2.1-5.5 5.0=82, 328/2.9=80...(12) H ARG 21 - HG3 ARG 61 far 0 94 0 - 8.0-23.0 H LYS 62 - HG3 ARG 21 far 0 97 0 - 9.2-25.2 H ARG 21 - HG2 ARG 61 far 0 96 0 - 9.2-22.4 Violated in 0 structures by 0.00 A. Peak 1381 from cnoeabs.peaks (4.07, 1.60, 27.31 ppm; 3.76 A): 1 out of 10 assignments used, quality = 1.00: * HA ARG 21 + HG3 ARG 21 OK 100 100 100 100 2.3-3.7 1353=100, 1352/1.8=83...(22) HA SER 24 - HG2 ARG 61 far 5 93 5 - 4.2-18.8 HA SER 24 - HG3 ARG 61 far 5 92 5 - 2.5-17.3 HA ARG 56 - HG2 ARG 61 far 5 92 5 - 4.3-13.2 HA ARG 56 - HG3 ARG 61 far 0 90 0 - 5.5-12.4 HA SER 24 - HG3 ARG 21 far 0 99 0 - 7.5-9.3 HA ARG 21 - HG3 ARG 61 far 0 94 0 - 7.6-22.4 HA LEU 37 - HG3 ARG 21 far 0 97 0 - 9.0-11.5 HA ARG 21 - HG2 ARG 61 far 0 96 0 - 9.1-22.7 HB THR 14 - HG3 ARG 21 far 0 68 0 - 9.4-12.5 Violated in 0 structures by 0.00 A. Peak 1382 from cnoeabs.peaks (1.97, 1.60, 27.31 ppm; 3.28 A): 2 out of 10 assignments used, quality = 1.00: * HB2 ARG 21 + HG3 ARG 21 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 ARG 21 + HG3 ARG 21 OK 100 100 100 100 2.2-2.8 3.0=100 HB3 GLU 18 - HG3 ARG 21 far 3 60 5 - 4.6-7.6 HB2 GLU 18 - HG3 ARG 21 far 0 60 0 - 5.2-8.1 HD3 LYS 22 - HG3 ARG 21 far 0 99 0 - 5.7-9.5 HD3 ARG 55 - HG3 ARG 61 far 0 93 0 - 5.7-18.6 HD3 ARG 55 - HG2 ARG 61 far 0 95 0 - 6.9-18.2 HB3 GLU 67 - HG2 ARG 61 far 0 93 0 - 8.2-19.5 HB3 GLU 67 - HG3 ARG 61 far 0 92 0 - 9.4-19.4 HB3 ARG 21 - HG3 ARG 61 far 0 94 0 - 9.7-24.6 Violated in 0 structures by 0.00 A. Peak 1383 from cnoeabs.peaks (1.97, 1.60, 27.31 ppm; 3.28 A): 2 out of 13 assignments used, quality = 1.00: * HB3 ARG 21 + HG3 ARG 21 OK 100 100 100 100 2.2-2.8 3.0=100 HB2 ARG 21 + HG3 ARG 21 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 GLU 18 - HG3 ARG 21 far 3 68 5 - 4.6-7.6 HB2 GLU 18 - HG3 ARG 21 far 0 68 0 - 5.2-8.1 HB3 GLN 63 - HG2 ARG 61 far 0 58 0 - 5.3-11.8 HD3 LYS 22 - HG3 ARG 21 far 0 98 0 - 5.7-9.5 HD3 ARG 55 - HG3 ARG 61 far 0 94 0 - 5.7-18.6 HB3 GLN 63 - HG3 ARG 61 far 0 57 0 - 6.4-11.2 HD3 ARG 55 - HG2 ARG 61 far 0 95 0 - 6.9-18.2 HB3 GLN 63 - HG3 ARG 21 far 0 65 0 - 8.1-27.8 HB3 GLU 67 - HG2 ARG 61 far 0 91 0 - 8.2-19.5 HB3 GLU 67 - HG3 ARG 61 far 0 89 0 - 9.4-19.4 HB3 ARG 21 - HG3 ARG 61 far 0 94 0 - 9.7-24.6 Violated in 0 structures by 0.00 A. Peak 1384 from cnoeabs.peaks (1.86, 1.60, 27.31 ppm; 2.63 A): 1 out of 7 assignments used, quality = 1.00: * HG2 ARG 21 + HG3 ARG 21 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LYS 60 - HG3 ARG 61 far 3 64 5 - 4.0-7.8 HB ILE 17 - HG3 ARG 21 far 0 81 0 - 4.4-7.5 HB2 LYS 60 - HG2 ARG 61 far 0 66 0 - 4.7-8.2 HG LEU 41 - HG3 ARG 21 far 0 99 0 - 7.6-11.7 HG2 ARG 21 - HG3 ARG 61 far 0 94 0 - 9.2-24.4 HB ILE 17 - HG3 ARG 61 far 0 71 0 - 9.6-27.2 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HD2 ARG 21 + HG3 ARG 21 OK 100 100 100 100 2.3-3.0 2.9=100 HA VAL 16 - HG3 ARG 21 far 0 71 0 - 7.7-11.0 HA VAL 16 - HG3 ARG 61 far 0 62 0 - 8.7-24.8 Violated in 0 structures by 0.00 A. Peak 1387 from cnoeabs.peaks (3.23, 1.60, 27.31 ppm; 3.31 A): 1 out of 4 assignments used, quality = 1.00: * HD3 ARG 21 + HG3 ARG 21 OK 100 100 100 100 2.3-3.0 2.9=100 HA VAL 16 - HG3 ARG 21 far 0 98 0 - 7.7-11.0 HA VAL 16 - HG3 ARG 61 far 0 90 0 - 8.7-24.8 HD3 ARG 21 - HG3 ARG 61 far 0 94 0 - 9.4-26.6 Violated in 0 structures by 0.00 A. Peak 1389 from cnoeabs.peaks (4.07, 3.20, 43.43 ppm; 5.23 A): 1 out of 4 assignments used, quality = 1.00: * HA ARG 21 + HD2 ARG 21 OK 100 100 100 100 2.0-4.4 4.9=100 HA SER 24 - HD2 ARG 21 far 0 99 0 - 7.0-9.9 HA LEU 37 - HD2 ARG 21 far 0 97 0 - 7.8-11.6 HB THR 14 - HD2 ARG 21 far 0 68 0 - 8.3-12.8 Violated in 0 structures by 0.00 A. Peak 1390 from cnoeabs.peaks (1.97, 3.20, 43.43 ppm; 3.59 A): 2 out of 5 assignments used, quality = 1.00: * HB2 ARG 21 + HD2 ARG 21 OK 100 100 100 100 2.1-4.2 3.5=100 HB3 ARG 21 + HD2 ARG 21 OK 100 100 100 100 2.2-3.9 3.5=100 HB3 GLU 18 - HD2 ARG 21 poor 18 60 30 - 4.0-7.8 HB2 GLU 18 - HD2 ARG 21 poor 12 60 20 - 4.9-8.4 HD3 LYS 22 - HD2 ARG 21 far 0 99 0 - 5.6-9.9 Violated in 0 structures by 0.00 A. Peak 1391 from cnoeabs.peaks (1.97, 3.20, 43.43 ppm; 3.59 A): 2 out of 6 assignments used, quality = 1.00: * HB3 ARG 21 + HD2 ARG 21 OK 100 100 100 100 2.2-3.9 3.5=100 HB2 ARG 21 + HD2 ARG 21 OK 100 100 100 100 2.1-4.2 3.5=100 HB3 GLU 18 - HD2 ARG 21 poor 16 68 30 76 4.0-7.8 3.0/4140=37, ~4139=28...(8) HB2 GLU 18 - HD2 ARG 21 poor 14 68 20 - 4.9-8.4 HD3 LYS 22 - HD2 ARG 21 far 0 98 0 - 5.6-9.9 HB3 GLN 63 - HD2 ARG 21 far 0 65 0 - 8.3-29.5 Violated in 0 structures by 0.00 A. Peak 1392 from cnoeabs.peaks (1.86, 3.20, 43.43 ppm; 3.45 A): 1 out of 3 assignments used, quality = 1.00: * HG2 ARG 21 + HD2 ARG 21 OK 100 100 100 100 2.3-3.0 2.9=100 HB ILE 17 - HD2 ARG 21 poor 18 81 25 90 4.3-7.5 2.1/4136=40, ~4137=31...(12) HG LEU 41 - HD2 ARG 21 far 0 99 0 - 7.8-12.0 Violated in 0 structures by 0.00 A. Peak 1393 from cnoeabs.peaks (1.60, 3.20, 43.43 ppm; 3.40 A): 1 out of 4 assignments used, quality = 1.00: * HG3 ARG 21 + HD2 ARG 21 OK 100 100 100 100 2.3-3.0 2.9=100 HB3 LEU 64 - HD2 ARG 21 far 0 95 0 - 8.7-33.0 HB3 GLN 15 - HD2 ARG 21 far 0 60 0 - 9.6-13.0 HB2 LEU 41 - HD2 ARG 21 far 0 95 0 - 9.7-13.9 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HD3 ARG 21 + HD2 ARG 21 OK 100 100 100 100 1.8-1.8 1.8=100 HA VAL 16 - HD2 ARG 21 far 0 98 0 - 8.0-10.9 Violated in 0 structures by 0.00 A. Peak 1397 from cnoeabs.peaks (4.07, 3.23, 43.43 ppm; 5.03 A): 1 out of 4 assignments used, quality = 1.00: * HA ARG 21 + HD3 ARG 21 OK 100 100 100 100 2.3-4.7 4.9=100 HA SER 24 - HD3 ARG 21 far 0 99 0 - 7.2-10.4 HA LEU 37 - HD3 ARG 21 far 0 97 0 - 8.4-11.5 HB THR 14 - HD3 ARG 21 far 0 68 0 - 8.5-11.8 Violated in 0 structures by 0.00 A. Peak 1398 from cnoeabs.peaks (1.97, 3.23, 43.43 ppm; 3.59 A): 2 out of 5 assignments used, quality = 1.00: * HB2 ARG 21 + HD3 ARG 21 OK 100 100 100 100 2.0-4.0 3.5=100 HB3 ARG 21 + HD3 ARG 21 OK 100 100 100 100 2.5-4.0 3.5=100 HB3 GLU 18 - HD3 ARG 21 poor 18 60 30 - 4.4-7.3 HD3 LYS 22 - HD3 ARG 21 far 5 99 5 - 4.9-9.8 HB2 GLU 18 - HD3 ARG 21 far 0 60 0 - 5.2-7.6 Violated in 0 structures by 0.00 A. Peak 1399 from cnoeabs.peaks (1.97, 3.23, 43.43 ppm; 3.59 A): 2 out of 6 assignments used, quality = 1.00: * HB3 ARG 21 + HD3 ARG 21 OK 100 100 100 100 2.5-4.0 3.5=100 HB2 ARG 21 + HD3 ARG 21 OK 100 100 100 100 2.0-4.0 3.5=100 HB3 GLU 18 - HD3 ARG 21 poor 16 68 30 79 4.4-7.3 3.0/4139=42, ~4140=25...(8) HD3 LYS 22 - HD3 ARG 21 far 5 98 5 - 4.9-9.8 HB2 GLU 18 - HD3 ARG 21 far 0 68 0 - 5.2-7.6 HB3 GLN 63 - HD3 ARG 21 far 0 65 0 - 7.5-29.3 Violated in 0 structures by 0.00 A. Peak 1400 from cnoeabs.peaks (1.86, 3.23, 43.43 ppm; 3.42 A): 1 out of 3 assignments used, quality = 1.00: * HG2 ARG 21 + HD3 ARG 21 OK 100 100 100 100 2.3-3.0 2.9=100 HB ILE 17 - HD3 ARG 21 poor 18 81 25 91 4.4-6.2 2.1/4137=42, ~4136=29...(13) HG LEU 41 - HD3 ARG 21 far 0 99 0 - 7.6-11.4 Violated in 0 structures by 0.00 A. Peak 1401 from cnoeabs.peaks (1.60, 3.23, 43.43 ppm; 3.37 A): 1 out of 5 assignments used, quality = 1.00: * HG3 ARG 21 + HD3 ARG 21 OK 100 100 100 100 2.3-3.0 2.9=100 HB3 LEU 64 - HD3 ARG 21 far 0 95 0 - 8.0-33.9 HG3 ARG 61 - HD3 ARG 21 far 0 98 0 - 9.4-26.6 HB3 GLN 15 - HD3 ARG 21 far 0 60 0 - 9.8-11.9 HB2 LEU 41 - HD3 ARG 21 far 0 95 0 - 9.9-13.2 Violated in 0 structures by 0.00 A. Peak 1402 from cnoeabs.peaks (3.20, 3.23, 43.43 ppm; 2.40 A): 1 out of 2 assignments used, quality = 1.00: * HD2 ARG 21 + HD3 ARG 21 OK 100 100 100 100 1.8-1.8 1.8=100 HA VAL 16 - HD3 ARG 21 far 0 71 0 - 8.1-10.0 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * H LYS 22 + HA LYS 22 OK 100 100 100 100 2.7-2.9 2.9=100 H LEU 41 - HA LYS 22 far 0 65 0 - 10.0-11.9 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HB2 LYS 22 + HA LYS 22 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 GLU 20 - HA LYS 22 far 0 90 0 - 7.4-8.5 Violated in 0 structures by 0.00 A. Peak 1407 from cnoeabs.peaks (2.38, 4.35, 57.92 ppm; 3.89 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LYS 22 + HA LYS 22 OK 100 100 100 100 2.7-3.0 3.0=100 HG3 GLU 18 - HA LYS 22 far 0 65 0 - 8.9-10.0 Violated in 0 structures by 0.00 A. Peak 1408 from cnoeabs.peaks (1.71, 4.35, 57.92 ppm; 3.77 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 22 + HA LYS 22 OK 100 100 100 100 2.3-3.7 3.7=100 HB3 LEU 37 - HA LYS 22 far 0 87 0 - 6.6-7.9 Violated in 0 structures by 0.00 A. Peak 1409 from cnoeabs.peaks (1.68, 4.35, 57.92 ppm; 3.84 A): 1 out of 4 assignments used, quality = 1.00: * HG3 LYS 22 + HA LYS 22 OK 100 100 100 100 2.3-3.8 3.7=100 HB2 LEU 37 - HA LYS 22 far 14 93 15 - 5.1-7.8 HD2 LYS 62 - HA LYS 22 far 0 99 0 - 8.7-25.7 HD3 LYS 62 - HA LYS 22 far 0 98 0 - 8.8-25.1 Violated in 0 structures by 0.00 A. Peak 1410 from cnoeabs.peaks (1.82, 4.35, 57.92 ppm; 3.47 A): 1 out of 3 assignments used, quality = 1.00: * HD2 LYS 22 + HA LYS 22 OK 100 100 100 100 2.0-3.9 1455=86, 1.8/1465=68...(19) HB2 ARG 61 - HA LYS 22 far 0 99 0 - 9.0-23.3 HB ILE 17 - HA LYS 22 far 0 85 0 - 9.7-10.9 Violated in 2 structures by 0.02 A. Peak 1411 from cnoeabs.peaks (1.96, 4.35, 57.92 ppm; 3.29 A): 3 out of 3 assignments used, quality = 1.00: * HD3 LYS 22 + HA LYS 22 OK 99 100 100 99 2.0-3.8 1465=75, 1.8/1410=65...(15) HB3 ARG 21 + HA LYS 22 OK 85 98 100 87 3.8-4.7 3392/2.9=24, ~62=16...(18) HB2 ARG 21 + HA LYS 22 OK 78 99 90 87 4.1-4.9 3392/2.9=24, ~62=16...(18) Violated in 4 structures by 0.01 A. Peak 1412 from cnoeabs.peaks (2.80, 4.35, 57.92 ppm; 5.22 A): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 22 + HA LYS 22 OK 100 100 100 100 2.1-4.9 1475=100, 3.0/1410=94...(11) Violated in 0 structures by 0.00 A. Peak 1413 from cnoeabs.peaks (2.95, 4.35, 57.92 ppm; 4.81 A): 1 out of 1 assignment used, quality = 1.00: * HE3 LYS 22 + HA LYS 22 OK 100 100 100 100 2.0-4.6 1485=100, 3.0/1410=88...(13) Violated in 0 structures by 0.00 A. Peak 1414 from cnoeabs.peaks (8.03, 2.06, 30.62 ppm; 3.73 A): 1 out of 4 assignments used, quality = 1.00: * H LYS 22 + HB2 LYS 22 OK 100 100 100 100 2.1-3.6 555=100, 556/1.8=80...(17) H LEU 41 - HB2 LYS 22 far 0 65 0 - 7.6-10.1 H ASN 40 - HB2 LYS 22 far 0 96 0 - 7.9-10.1 H ILE 17 - HB2 LYS 22 far 0 83 0 - 8.8-11.2 Violated in 0 structures by 0.00 A. Peak 1415 from cnoeabs.peaks (4.35, 2.06, 30.62 ppm; 3.78 A): 1 out of 4 assignments used, quality = 1.00: * HA LYS 22 + HB2 LYS 22 OK 100 100 100 100 2.4-3.0 3.0=100 HA LEU 41 - HB2 LYS 22 far 0 97 0 - 8.7-11.5 HA LYS 49 - HB2 LYS 22 far 0 76 0 - 9.0-11.0 HA ASN 40 - HB2 LYS 22 far 0 81 0 - 9.1-12.1 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * HB3 LYS 22 + HB2 LYS 22 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLU 18 - HB2 LYS 22 far 0 65 0 - 6.8-9.5 HG2 MET 11 - HB2 LYS 22 far 0 99 0 - 9.9-14.8 HD2 ARG 55 - HB2 LYS 22 far 0 65 0 - 9.9-13.2 Violated in 0 structures by 0.00 A. Peak 1418 from cnoeabs.peaks (1.71, 2.06, 30.62 ppm; 3.75 A): 2 out of 3 assignments used, quality = 1.00: * HG2 LYS 22 + HB2 LYS 22 OK 100 100 100 100 2.4-3.0 2.9=100 HB3 LEU 37 + HB2 LYS 22 OK 39 87 45 99 4.7-5.4 3.1/4150=39, ~4151=23...(30) HD3 LYS 39 - HB2 LYS 22 far 0 83 0 - 9.9-13.3 Violated in 0 structures by 0.00 A. Peak 1419 from cnoeabs.peaks (1.68, 2.06, 30.62 ppm; 3.72 A): 2 out of 5 assignments used, quality = 1.00: * HG3 LYS 22 + HB2 LYS 22 OK 100 100 100 100 2.5-3.0 2.9=100 HB2 LEU 37 + HB2 LYS 22 OK 88 93 95 100 3.4-5.4 3.1/4150=39, 1429/1.8=33...(30) HD2 LYS 62 - HB2 LYS 22 far 0 99 0 - 9.4-26.6 HD3 LYS 62 - HB2 LYS 22 far 0 98 0 - 9.5-25.4 HD3 LYS 39 - HB2 LYS 22 far 0 90 0 - 9.9-13.3 Violated in 0 structures by 0.00 A. Peak 1420 from cnoeabs.peaks (1.82, 2.06, 30.62 ppm; 4.37 A): 1 out of 2 assignments used, quality = 1.00: * HD2 LYS 22 + HB2 LYS 22 OK 100 100 100 100 2.2-3.7 3.5=100 HB ILE 17 - HB2 LYS 22 far 0 85 0 - 8.4-11.1 Violated in 0 structures by 0.00 A. Peak 1421 from cnoeabs.peaks (1.96, 2.06, 30.62 ppm; 3.69 A): 3 out of 5 assignments used, quality = 1.00: * HD3 LYS 22 + HB2 LYS 22 OK 100 100 100 100 2.2-3.3 3.5=100 HB2 ARG 21 + HB2 LYS 22 OK 59 99 75 79 3.8-5.8 4.5/555=41, 1411/3.0=19...(11) HB3 ARG 21 + HB2 LYS 22 OK 47 98 60 79 4.3-6.8 4.5/555=41, 1411/3.0=20...(11) HB2 ARG 34 - HB2 LYS 22 far 0 78 0 - 8.2-10.2 HD3 ARG 55 - HB2 LYS 22 far 0 97 0 - 9.5-12.0 Violated in 0 structures by 0.00 A. Peak 1423 from cnoeabs.peaks (2.95, 2.06, 30.62 ppm; 4.99 A): 1 out of 2 assignments used, quality = 1.00: * HE3 LYS 22 + HB2 LYS 22 OK 100 100 100 100 2.3-4.8 4.7=100 HB2 TYR 28 - HB2 LYS 22 far 0 100 0 - 9.6-12.2 Violated in 0 structures by 0.00 A. Peak 1424 from cnoeabs.peaks (8.03, 2.38, 30.62 ppm; 4.05 A): 1 out of 5 assignments used, quality = 1.00: * H LYS 22 + HB3 LYS 22 OK 100 100 100 100 2.2-3.5 4.0=100 H LEU 41 - HB3 LYS 22 far 0 65 0 - 8.0-10.3 H ASN 40 - HB3 LYS 22 far 0 96 0 - 8.7-10.5 H ILE 17 - HB3 LYS 22 far 0 83 0 - 8.9-11.2 H GLN 53 - HB3 LYS 22 far 0 100 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 1425 from cnoeabs.peaks (4.35, 2.38, 30.62 ppm; 4.26 A): 1 out of 3 assignments used, quality = 1.00: * HA LYS 22 + HB3 LYS 22 OK 100 100 100 100 2.7-3.0 3.0=100 HA LYS 49 - HB3 LYS 22 far 0 76 0 - 8.7-9.9 HA LEU 41 - HB3 LYS 22 far 0 97 0 - 9.0-11.5 Violated in 0 structures by 0.00 A. Peak 1426 from cnoeabs.peaks (2.06, 2.38, 30.62 ppm; 3.24 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LYS 22 + HB3 LYS 22 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLU 20 - HB3 LYS 22 far 0 90 0 - 6.5-8.6 Violated in 0 structures by 0.00 A. 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): 2 out of 2 assignments used, quality = 1.00: * HG2 LYS 22 + HB3 LYS 22 OK 100 100 100 100 2.3-2.7 2.9=100 HB3 LEU 37 + HB3 LYS 22 OK 48 87 55 100 4.7-5.8 3.1/4151=37, ~4388=31...(31) Violated in 0 structures by 0.00 A. Peak 1429 from cnoeabs.peaks (1.68, 2.38, 30.62 ppm; 3.89 A): 2 out of 3 assignments used, quality = 1.00: * HG3 LYS 22 + HB3 LYS 22 OK 100 100 100 100 2.3-2.7 2.9=100 HB2 LEU 37 + HB3 LYS 22 OK 93 93 100 100 3.8-5.3 3.1/4151=37, 1419/1.8=37...(31) HD2 LYS 62 - HB3 LYS 22 far 0 99 0 - 9.0-25.1 Violated in 0 structures by 0.00 A. Peak 1430 from cnoeabs.peaks (1.82, 2.38, 30.62 ppm; 4.72 A): 1 out of 2 assignments used, quality = 1.00: * HD2 LYS 22 + HB3 LYS 22 OK 100 100 100 100 3.5-4.2 3.5=100 HB ILE 17 - HB3 LYS 22 far 0 85 0 - 8.5-11.0 Violated in 0 structures by 0.00 A. Peak 1431 from cnoeabs.peaks (1.96, 2.38, 30.62 ppm; 4.63 A): 3 out of 5 assignments used, quality = 1.00: * HD3 LYS 22 + HB3 LYS 22 OK 100 100 100 100 3.4-3.9 3.5=100 HB2 ARG 21 + HB3 LYS 22 OK 91 99 100 92 4.4-5.9 4.5/556=61, 1421/1.8=28...(10) HB3 ARG 21 + HB3 LYS 22 OK 67 98 75 91 5.0-6.5 4.5/556=61, 1411/3.0=28...(10) HB2 ARG 34 - HB3 LYS 22 far 0 78 0 - 8.3-10.0 HD3 ARG 55 - HB3 LYS 22 far 0 97 0 - 9.4-11.1 Violated in 0 structures by 0.00 A. Peak 1434 from cnoeabs.peaks (8.03, 1.71, 24.77 ppm; 5.02 A): 1 out of 4 assignments used, quality = 1.00: * H LYS 22 + HG2 LYS 22 OK 100 100 100 100 3.3-4.5 557=100, 558/1.8=96...(16) H LEU 41 - HG2 LYS 22 far 3 65 5 - 6.5-10.6 H ASN 40 - HG2 LYS 22 far 0 96 0 - 6.7-10.4 H ILE 17 - HG2 LYS 22 far 0 83 0 - 9.3-12.6 Violated in 0 structures by 0.00 A. Peak 1435 from cnoeabs.peaks (4.35, 1.71, 24.77 ppm; 4.57 A): 1 out of 4 assignments used, quality = 1.00: * HA LYS 22 + HG2 LYS 22 OK 100 100 100 100 2.3-3.7 3.7=100 HA LEU 41 - HG2 LYS 22 far 0 97 0 - 8.0-12.2 HA ASN 40 - HG2 LYS 22 far 0 81 0 - 8.2-12.3 HA LYS 49 - HG2 LYS 22 far 0 76 0 - 9.0-10.9 Violated in 0 structures by 0.00 A. Peak 1436 from cnoeabs.peaks (2.06, 1.71, 24.77 ppm; 3.98 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LYS 22 + HG2 LYS 22 OK 100 100 100 100 2.4-3.0 2.9=100 HB3 GLU 20 - HG2 LYS 22 far 0 90 0 - 8.2-10.2 HG3 GLU 45 - HG2 LYS 22 far 0 92 0 - 9.6-11.6 HB2 GLU 45 - HG2 LYS 22 far 0 96 0 - 9.7-14.0 Violated in 0 structures by 0.00 A. Peak 1437 from cnoeabs.peaks (2.38, 1.71, 24.77 ppm; 4.01 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LYS 22 + HG2 LYS 22 OK 100 100 100 100 2.3-2.7 2.9=100 HG3 GLU 18 - HG2 LYS 22 far 0 65 0 - 6.1-10.7 HG2 MET 11 - HG2 LYS 22 far 0 99 0 - 9.8-16.3 Violated in 0 structures by 0.00 A. 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): 2 out of 4 assignments used, quality = 1.00: * HG3 LYS 22 + HG2 LYS 22 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LEU 37 + HG2 LYS 22 OK 72 93 80 97 2.0-6.4 1947=29, 3.1/4152=24...(33) HD3 LYS 39 - HG2 LYS 22 far 0 90 0 - 8.8-11.8 HD2 LYS 39 - HG2 LYS 22 far 0 90 0 - 9.7-13.3 Violated in 0 structures by 0.00 A. Peak 1440 from cnoeabs.peaks (1.82, 1.71, 24.77 ppm; 3.54 A): 1 out of 3 assignments used, quality = 1.00: * HD2 LYS 22 + HG2 LYS 22 OK 100 100 100 100 2.3-3.0 3.0=100 HB ILE 17 - HG2 LYS 22 far 0 85 0 - 8.7-12.4 HB2 PRO 32 - HG2 LYS 22 far 0 76 0 - 9.3-12.9 Violated in 0 structures by 0.00 A. Peak 1441 from cnoeabs.peaks (1.96, 1.71, 24.77 ppm; 4.01 A): 2 out of 5 assignments used, quality = 1.00: * HD3 LYS 22 + HG2 LYS 22 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 ARG 21 + HG2 LYS 22 OK 20 99 25 81 4.5-7.0 4.5/557=40, 1421/2.9=19...(10) HB3 ARG 21 - HG2 LYS 22 far 0 98 0 - 5.8-6.7 HB2 ARG 34 - HG2 LYS 22 far 0 78 0 - 7.5-9.4 HG2 PRO 32 - HG2 LYS 22 far 0 81 0 - 9.6-13.2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.7 3.7=100 Violated in 0 structures by 0.00 A. Peak 1443 from cnoeabs.peaks (2.95, 1.71, 24.77 ppm; 4.52 A): 1 out of 2 assignments used, quality = 1.00: * HE3 LYS 22 + HG2 LYS 22 OK 100 100 100 100 2.5-3.9 3.7=100 HB2 TYR 28 - HG2 LYS 22 far 0 100 0 - 9.3-12.4 Violated in 0 structures by 0.00 A. Peak 1444 from cnoeabs.peaks (8.03, 1.68, 24.77 ppm; 4.94 A): 1 out of 4 assignments used, quality = 1.00: * H LYS 22 + HG3 LYS 22 OK 100 100 100 100 2.4-4.6 558=100, 557/1.8=94...(17) H ASN 40 - HG3 LYS 22 far 0 96 0 - 7.3-10.9 H LEU 41 - HG3 LYS 22 far 0 65 0 - 7.5-11.3 H ILE 17 - HG3 LYS 22 far 0 83 0 - 8.9-12.9 Violated in 0 structures by 0.00 A. Peak 1445 from cnoeabs.peaks (4.35, 1.68, 24.77 ppm; 4.59 A): 1 out of 4 assignments used, quality = 1.00: * HA LYS 22 + HG3 LYS 22 OK 100 100 100 100 2.3-3.8 3.7=100 HA LYS 49 - HG3 LYS 22 far 0 76 0 - 8.5-11.8 HA ASN 40 - HG3 LYS 22 far 0 81 0 - 8.7-13.0 HA LEU 41 - HG3 LYS 22 far 0 97 0 - 8.7-12.8 Violated in 0 structures by 0.00 A. Peak 1446 from cnoeabs.peaks (2.06, 1.68, 24.77 ppm; 3.95 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LYS 22 + HG3 LYS 22 OK 100 100 100 100 2.5-3.0 2.9=100 HB3 GLU 20 - HG3 LYS 22 far 0 90 0 - 7.2-10.2 HG3 GLU 45 - HG3 LYS 22 far 0 92 0 - 8.7-12.6 Violated in 0 structures by 0.00 A. Peak 1447 from cnoeabs.peaks (2.38, 1.68, 24.77 ppm; 4.01 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LYS 22 + HG3 LYS 22 OK 100 100 100 100 2.3-2.7 2.9=100 HG3 GLU 18 - HG3 LYS 22 far 0 65 0 - 6.2-10.8 HG2 GLU 45 - HG3 LYS 22 far 0 87 0 - 9.3-13.5 Violated in 0 structures by 0.00 A. Peak 1448 from cnoeabs.peaks (1.71, 1.68, 24.77 ppm; 2.68 A): 2 out of 4 assignments used, quality = 1.00: * HG2 LYS 22 + HG3 LYS 22 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LEU 37 + HG3 LYS 22 OK 33 87 40 94 3.2-6.9 3.1/4154=19, 1953=19...(32) HD3 LYS 39 - HG3 LYS 22 far 0 83 0 - 8.7-12.0 HD2 LYS 39 - HG3 LYS 22 far 0 83 0 - 9.4-13.6 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HD2 LYS 22 + HG3 LYS 22 OK 100 100 100 100 2.3-3.0 3.0=100 HB ILE 17 - HG3 LYS 22 far 0 85 0 - 7.9-12.4 HB2 PRO 32 - HG3 LYS 22 far 0 76 0 - 9.2-14.1 Violated in 0 structures by 0.00 A. Peak 1451 from cnoeabs.peaks (1.96, 1.68, 24.77 ppm; 3.94 A): 3 out of 5 assignments used, quality = 1.00: * HD3 LYS 22 + HG3 LYS 22 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 ARG 21 + HG3 LYS 22 OK 27 99 35 78 3.2-7.0 4.5/558=39, 1421/2.9=18...(9) HB3 ARG 21 + HG3 LYS 22 OK 23 98 30 77 4.2-7.2 4.5/558=39, 1411/3.7=19...(9) HB2 ARG 34 - HG3 LYS 22 far 0 78 0 - 7.2-10.9 HG2 PRO 32 - HG3 LYS 22 far 0 81 0 - 9.2-14.2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-3.7 3.7=100 Violated in 0 structures by 0.00 A. Peak 1453 from cnoeabs.peaks (2.95, 1.68, 24.77 ppm; 4.52 A): 1 out of 2 assignments used, quality = 1.00: * HE3 LYS 22 + HG3 LYS 22 OK 100 100 100 100 2.4-3.7 3.7=100 HB2 TYR 28 - HG3 LYS 22 far 0 100 0 - 9.1-13.2 Violated in 0 structures by 0.00 A. Peak 1455 from cnoeabs.peaks (4.35, 1.82, 27.95 ppm; 3.65 A): 1 out of 3 assignments used, quality = 1.00: * HA LYS 22 + HD2 LYS 22 OK 100 100 100 100 2.0-3.9 1410=100, 1465/1.8=74...(19) HA ASN 40 - HD2 LYS 22 far 0 81 0 - 9.0-12.0 HA LEU 41 - HD2 LYS 22 far 0 97 0 - 9.4-12.2 Violated in 1 structures by 0.01 A. Peak 1456 from cnoeabs.peaks (2.06, 1.82, 27.95 ppm; 3.84 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LYS 22 + HD2 LYS 22 OK 100 100 100 100 2.2-3.7 3.5=100 HB3 GLU 20 - HD2 LYS 22 far 0 90 0 - 8.3-10.5 Violated in 0 structures by 0.00 A. Peak 1457 from cnoeabs.peaks (2.38, 1.82, 27.95 ppm; 4.59 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LYS 22 + HD2 LYS 22 OK 100 100 100 100 3.5-4.2 3.5=100 HG3 GLU 18 - HD2 LYS 22 far 0 65 0 - 6.9-10.0 Violated in 0 structures by 0.00 A. Peak 1458 from cnoeabs.peaks (1.71, 1.82, 27.95 ppm; 3.29 A): 1 out of 4 assignments used, quality = 1.00: * HG2 LYS 22 + HD2 LYS 22 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LEU 37 - HD2 LYS 22 far 4 87 5 - 4.7-7.2 HD3 LYS 39 - HD2 LYS 22 far 0 83 0 - 8.9-12.5 HD2 LYS 39 - HD2 LYS 22 far 0 83 0 - 9.9-13.5 Violated in 0 structures by 0.00 A. Peak 1459 from cnoeabs.peaks (1.68, 1.82, 27.95 ppm; 3.28 A): 2 out of 5 assignments used, quality = 1.00: * HG3 LYS 22 + HD2 LYS 22 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LEU 37 + HD2 LYS 22 OK 70 93 75 99 3.0-6.5 3.1/4815=37, 3.1/4156=33...(37) HD3 LYS 39 - HD2 LYS 22 far 0 90 0 - 8.9-12.5 HD2 LYS 62 - HD2 LYS 22 far 0 99 0 - 9.6-27.5 HD2 LYS 39 - HD2 LYS 22 far 0 90 0 - 9.9-13.5 Violated in 0 structures by 0.00 A. 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 5 assignments used, quality = 1.00: * HD3 LYS 22 + HD2 LYS 22 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 ARG 21 - HD2 LYS 22 poor 20 99 20 - 3.3-6.5 HB3 ARG 21 - HD2 LYS 22 poor 12 98 30 42 3.2-6.4 4.5/559=14, 1411/1410=9...(9) HB2 ARG 34 - HD2 LYS 22 far 0 78 0 - 8.5-11.1 HG2 PRO 32 - HD2 LYS 22 far 0 81 0 - 9.6-13.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1464 from cnoeabs.peaks (8.03, 1.96, 27.95 ppm; 5.26 A): 1 out of 4 assignments used, quality = 1.00: * H LYS 22 + HD3 LYS 22 OK 100 100 100 100 2.7-5.3 559/1.8=94, 2.9/1465=93...(16) H ASN 40 - HD3 LYS 22 far 0 96 0 - 6.8-10.5 H LEU 41 - HD3 LYS 22 far 0 65 0 - 7.1-11.1 H ILE 17 - HD3 LYS 22 far 0 83 0 - 9.2-13.3 Violated in 1 structures by 0.00 A. Peak 1465 from cnoeabs.peaks (4.35, 1.96, 27.95 ppm; 3.61 A): 1 out of 4 assignments used, quality = 1.00: * HA LYS 22 + HD3 LYS 22 OK 100 100 100 100 2.0-3.8 1410/1.8=77, 1485/3.0=40...(15) HA ASN 40 - HD3 LYS 22 far 0 81 0 - 8.0-12.0 HA LEU 41 - HD3 LYS 22 far 0 97 0 - 8.1-12.7 HA LYS 49 - HD3 LYS 22 far 0 76 0 - 9.9-13.0 Violated in 6 structures by 0.02 A. Peak 1466 from cnoeabs.peaks (2.06, 1.96, 27.95 ppm; 3.48 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LYS 22 + HD3 LYS 22 OK 100 100 100 100 2.2-3.3 3.5=100 HB3 GLU 20 - HD3 LYS 22 far 0 90 0 - 8.3-10.7 HG3 GLU 45 - HD3 LYS 22 far 0 92 0 - 9.1-13.6 Violated in 0 structures by 0.00 A. Peak 1467 from cnoeabs.peaks (2.38, 1.96, 27.95 ppm; 4.45 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LYS 22 + HD3 LYS 22 OK 100 100 100 100 3.4-3.9 3.5=100 HG3 GLU 18 - HD3 LYS 22 far 3 65 5 - 5.9-10.6 Violated in 0 structures by 0.00 A. Peak 1468 from cnoeabs.peaks (1.71, 1.96, 27.95 ppm; 3.51 A): 2 out of 4 assignments used, quality = 1.00: * HG2 LYS 22 + HD3 LYS 22 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LEU 37 + HD3 LYS 22 OK 43 87 50 100 3.2-7.0 3.0/4160=41, ~4815=28...(38) HD3 LYS 39 - HD3 LYS 22 far 0 83 0 - 8.2-11.9 HD2 LYS 39 - HD3 LYS 22 far 0 83 0 - 9.4-13.5 Violated in 0 structures by 0.00 A. Peak 1469 from cnoeabs.peaks (1.68, 1.96, 27.95 ppm; 3.57 A): 2 out of 4 assignments used, quality = 1.00: * HG3 LYS 22 + HD3 LYS 22 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LEU 37 + HD3 LYS 22 OK 79 93 85 100 2.0-7.4 3.0/4160=42, 1459/1.8=33...(38) HD3 LYS 39 - HD3 LYS 22 far 0 90 0 - 8.2-11.9 HD2 LYS 39 - HD3 LYS 22 far 0 90 0 - 9.4-13.5 Violated in 0 structures by 0.00 A. Peak 1470 from cnoeabs.peaks (1.82, 1.96, 27.95 ppm; 2.69 A): 1 out of 3 assignments used, quality = 1.00: * HD2 LYS 22 + HD3 LYS 22 OK 100 100 100 100 1.8-1.8 1.8=100 HB ILE 17 - HD3 LYS 22 far 0 85 0 - 8.6-12.8 HB2 PRO 32 - HD3 LYS 22 far 0 76 0 - 9.3-13.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1473 from cnoeabs.peaks (2.95, 1.96, 27.95 ppm; 4.38 A): 1 out of 2 assignments used, quality = 1.00: * HE3 LYS 22 + HD3 LYS 22 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 TYR 28 - HD3 LYS 22 far 0 100 0 - 9.9-12.8 Violated in 0 structures by 0.00 A. Peak 1475 from cnoeabs.peaks (4.35, 2.80, 42.08 ppm; 4.79 A): 1 out of 4 assignments used, quality = 1.00: * HA LYS 22 + HE2 LYS 22 OK 100 100 100 100 2.1-4.9 1410/3.0=87, 1465/3.0=85...(11) HA ASN 40 - HE2 LYS 22 far 0 81 0 - 7.8-13.6 HA LEU 41 - HE2 LYS 22 far 0 97 0 - 9.1-14.0 HA LYS 49 - HE2 LYS 22 far 0 76 0 - 9.1-13.2 Violated in 4 structures by 0.01 A. Peak 1476 from cnoeabs.peaks (2.06, 2.80, 42.08 ppm; 4.31 A): 1 out of 3 assignments used, quality = 0.99: * HB2 LYS 22 + HE2 LYS 22 OK 99 100 100 99 2.1-4.4 4.7=75, 3.0/1475=54...(12) HG3 GLU 45 - HE2 LYS 22 far 0 92 0 - 9.1-12.7 HB3 GLU 20 - HE2 LYS 22 far 0 90 0 - 9.5-12.0 Violated in 6 structures by 0.02 A. Peak 1478 from cnoeabs.peaks (1.71, 2.80, 42.08 ppm; 3.75 A): 2 out of 4 assignments used, quality = 1.00: * HG2 LYS 22 + HE2 LYS 22 OK 100 100 100 100 2.3-3.7 3.7=100 HB3 LEU 37 + HE2 LYS 22 OK 60 87 70 98 3.5-8.3 ~4779=29, ~4780=28...(19) HD3 LYS 39 - HE2 LYS 22 far 0 83 0 - 6.7-12.0 HD2 LYS 39 - HE2 LYS 22 far 0 83 0 - 7.6-13.7 Violated in 0 structures by 0.00 A. Peak 1479 from cnoeabs.peaks (1.68, 2.80, 42.08 ppm; 3.81 A): 2 out of 4 assignments used, quality = 1.00: * HG3 LYS 22 + HE2 LYS 22 OK 100 100 100 100 2.1-3.7 3.7=100 HB2 LEU 37 + HE2 LYS 22 OK 79 93 85 99 2.0-7.2 1489/1.8=31, ~4779=31...(19) HD3 LYS 39 - HE2 LYS 22 far 0 90 0 - 6.7-12.0 HD2 LYS 39 - HE2 LYS 22 far 0 90 0 - 7.6-13.7 Violated in 0 structures by 0.00 A. Peak 1480 from cnoeabs.peaks (1.82, 2.80, 42.08 ppm; 3.99 A): 1 out of 2 assignments used, quality = 1.00: * HD2 LYS 22 + HE2 LYS 22 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 PRO 32 - HE2 LYS 22 far 0 76 0 - 7.9-11.8 Violated in 0 structures by 0.00 A. Peak 1481 from cnoeabs.peaks (1.96, 2.80, 42.08 ppm; 3.88 A): 1 out of 5 assignments used, quality = 1.00: * HD3 LYS 22 + HE2 LYS 22 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 ARG 21 - HE2 LYS 22 far 5 99 5 - 5.0-8.7 HB3 ARG 21 - HE2 LYS 22 far 0 98 0 - 5.5-8.1 HB2 ARG 34 - HE2 LYS 22 far 0 78 0 - 6.6-9.8 HG2 PRO 32 - HE2 LYS 22 far 0 81 0 - 7.8-11.9 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HE3 LYS 22 + HE2 LYS 22 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 TYR 28 - HE2 LYS 22 far 0 100 0 - 9.4-12.6 Violated in 0 structures by 0.00 A. Peak 1485 from cnoeabs.peaks (4.35, 2.95, 42.08 ppm; 4.55 A): 1 out of 4 assignments used, quality = 1.00: * HA LYS 22 + HE3 LYS 22 OK 100 100 100 100 2.0-4.6 1413=85, 1410/3.0=83...(13) HA ASN 40 - HE3 LYS 22 far 0 81 0 - 8.3-12.5 HA LYS 49 - HE3 LYS 22 far 0 76 0 - 9.5-13.5 HA LEU 41 - HE3 LYS 22 far 0 97 0 - 9.8-13.4 Violated in 3 structures by 0.00 A. Peak 1488 from cnoeabs.peaks (1.71, 2.95, 42.08 ppm; 3.83 A): 2 out of 4 assignments used, quality = 1.00: * HG2 LYS 22 + HE3 LYS 22 OK 100 100 100 100 2.5-3.9 3.7=100 HB3 LEU 37 + HE3 LYS 22 OK 21 87 25 99 4.0-7.7 3.1/4779=47, 3.1/4383=34...(18) HD3 LYS 39 - HE3 LYS 22 far 0 83 0 - 7.3-11.4 HD2 LYS 39 - HE3 LYS 22 far 0 83 0 - 8.4-12.4 Violated in 0 structures by 0.00 A. Peak 1489 from cnoeabs.peaks (1.68, 2.95, 42.08 ppm; 3.96 A): 2 out of 4 assignments used, quality = 1.00: * HG3 LYS 22 + HE3 LYS 22 OK 100 100 100 100 2.4-3.7 3.7=100 HB2 LEU 37 + HE3 LYS 22 OK 79 93 85 99 2.8-7.4 3.1/4779=50, 3.1/4383=37...(18) HD3 LYS 39 - HE3 LYS 22 far 0 90 0 - 7.3-11.4 HD2 LYS 39 - HE3 LYS 22 far 0 90 0 - 8.4-12.4 Violated in 0 structures by 0.00 A. Peak 1490 from cnoeabs.peaks (1.82, 2.95, 42.08 ppm; 3.82 A): 1 out of 2 assignments used, quality = 1.00: * HD2 LYS 22 + HE3 LYS 22 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 PRO 32 - HE3 LYS 22 far 0 76 0 - 7.1-12.5 Violated in 0 structures by 0.00 A. Peak 1491 from cnoeabs.peaks (1.96, 2.95, 42.08 ppm; 4.82 A): 2 out of 5 assignments used, quality = 1.00: * HD3 LYS 22 + HE3 LYS 22 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 ARG 21 + HE3 LYS 22 OK 21 98 35 60 5.0-8.1 1411/1485=22...(6) HB2 ARG 21 - HE3 LYS 22 poor 20 99 30 67 4.8-9.1 1411/1485=20...(7) HB2 ARG 34 - HE3 LYS 22 far 0 78 0 - 7.1-10.9 HG2 PRO 32 - HE3 LYS 22 far 0 81 0 - 7.7-12.3 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * H PHE 23 + HA PHE 23 OK 100 100 100 100 2.8-2.9 3.0=100 H SER 30 - HA PHE 23 far 0 90 0 - 7.9-9.4 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HB2 PHE 23 + HA PHE 23 OK 100 100 100 100 2.4-3.0 2.9=100 HD3 ARG 61 - HA PHE 23 far 0 95 0 - 7.6-20.2 HD2 ARG 61 - HA PHE 23 far 0 95 0 - 7.8-20.6 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-3.0 2.9=100 Violated in 0 structures by 0.00 A. Peak 1500 from cnoeabs.peaks (8.99, 3.15, 39.32 ppm; 3.86 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 23 + HB2 PHE 23 OK 100 100 100 100 2.2-2.6 565=100, 566/1.8=77...(8) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-3.0 2.9=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 1504 from cnoeabs.peaks (7.18, 3.15, 39.32 ppm; 4.67 A): 2 out of 2 assignments used, quality = 1.00: HZ PHE 52 + HB2 PHE 23 OK 100 100 100 100 3.0-4.8 2.2/4746=69, ~4630=61...(9) * QE PHE 23 + HB2 PHE 23 OK 100 100 100 100 4.4-4.5 4.4=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-2.8 2.4=100 Violated in 0 structures by 0.00 A. Peak 1506 from cnoeabs.peaks (8.99, 3.08, 39.32 ppm; 3.82 A): 1 out of 2 assignments used, quality = 1.00: * H PHE 23 + HB3 PHE 23 OK 100 100 100 100 2.5-2.9 566=100, 565/1.8=74...(8) H SER 30 - HB3 PHE 23 far 0 90 0 - 9.6-12.4 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-3.0 2.9=100 Violated in 0 structures by 0.00 A. Peak 1508 from cnoeabs.peaks (3.15, 3.08, 39.32 ppm; 3.06 A): 1 out of 3 assignments used, quality = 1.00: * HB2 PHE 23 + HB3 PHE 23 OK 100 100 100 100 1.8-1.8 1.8=100 HD2 ARG 61 - HB3 PHE 23 far 0 95 0 - 6.9-20.8 HD3 ARG 61 - HB3 PHE 23 far 0 95 0 - 7.3-20.1 Violated in 0 structures by 0.00 A. 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): 2 out of 2 assignments used, quality = 1.00: HZ PHE 52 + HB3 PHE 23 OK 100 100 100 100 2.9-5.9 ~4630=58, 2.2/4747=57...(9) * QE PHE 23 + HB3 PHE 23 OK 100 100 100 100 4.4-4.5 4.4=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-2.8 2.4=100 Violated in 0 structures by 0.00 A. 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 94 100 100 2.2-2.2 2.2=100 Violated in 0 structures by 0.00 A. 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 97 100 100 1.9-3.1 3.7=100 Violated in 0 structures by 0.00 A. Peak 1520 from cnoeabs.peaks (3.15, 7.06, 132.51 ppm; 4.74 A): 1 out of 4 assignments used, quality = 0.97: * HB2 PHE 23 + QD PHE 23 OK 97 97 100 100 2.3-2.8 2.4=100 HD3 ARG 61 - QD PHE 23 far 4 89 5 - 5.9-16.1 HD2 ARG 61 - QD PHE 23 far 4 89 5 - 6.2-16.7 HB3 TYR 57 - QD PHE 23 far 0 90 0 - 9.1-10.5 Violated in 0 structures by 0.00 A. Peak 1521 from cnoeabs.peaks (3.08, 7.06, 132.51 ppm; 4.74 A): 1 out of 2 assignments used, quality = 0.97: * HB3 PHE 23 + QD PHE 23 OK 97 97 100 100 2.3-2.8 2.4=100 HB2 TYR 57 - QD PHE 23 far 0 86 0 - 8.6-9.8 Violated in 0 structures by 0.00 A. Peak 1522 from cnoeabs.peaks (7.18, 7.06, 132.51 ppm; 3.85 A): 2 out of 2 assignments used, quality = 1.00: * QE PHE 23 + QD PHE 23 OK 96 96 100 100 2.2-2.2 2.2=100 HZ PHE 52 + QD PHE 23 OK 95 97 100 99 3.7-5.1 2.2/4630=76, 3.8/4698=40...(10) Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * H SER 24 + HA SER 24 OK 100 100 100 100 2.7-2.9 3.0=100 H LYS 27 - HA SER 24 far 0 99 0 - 6.6-7.2 H LEU 68 - HA SER 24 far 0 92 0 - 9.7-24.7 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HB2 SER 24 + HA SER 24 OK 94 100 100 94 2.3-3.0 3.0=84, 1.8/3717=21...(11) HB3 SER 24 + HA SER 24 OK 94 100 100 94 2.4-3.0 3.0=84, 1.8/3715=21...(11) HB2 SER 66 - HA SER 24 far 0 65 0 - 5.9-23.7 Violated in 0 structures by 0.00 A. Peak 1527 from cnoeabs.peaks (3.97, 4.08, 61.10 ppm; 2.86 A): 2 out of 3 assignments used, quality = 1.00: * HB3 SER 24 + HA SER 24 OK 94 100 100 94 2.4-3.0 3.0=84, 1.8/3715=21...(11) HB2 SER 24 + HA SER 24 OK 94 100 100 94 2.3-3.0 3.0=84, 1.8/3717=21...(11) HB2 SER 66 - HA SER 24 far 0 60 0 - 5.9-23.7 Violated in 0 structures by 0.00 A. Peak 1528 from cnoeabs.peaks (8.13, 3.97, 63.03 ppm; 3.26 A): 2 out of 4 assignments used, quality = 1.00: * H SER 24 + HB2 SER 24 OK 94 100 100 94 2.3-3.0 4.0=52, 572/1.8=37...(11) H SER 24 + HB3 SER 24 OK 94 100 100 94 2.2-3.6 4.0=52, 571/1.8=37...(11) H LYS 27 - HB3 SER 24 far 0 99 0 - 8.6-9.2 H LYS 27 - HB2 SER 24 far 0 99 0 - 8.8-9.4 Violated in 0 structures by 0.00 A. Peak 1529 from cnoeabs.peaks (4.08, 3.97, 63.03 ppm; 2.88 A): 4 out of 4 assignments used, quality = 1.00: * HA SER 24 + HB2 SER 24 OK 96 100 100 96 2.3-3.0 3.0=86, 1527/1.8=34...(9) HA SER 24 + HB3 SER 24 OK 96 100 100 96 2.4-3.0 3.0=86, 1526/1.8=34...(9) HA ARG 21 + HB2 SER 24 OK 61 99 100 62 2.7-4.0 3714=30, 3716/1.8=25...(4) HA ARG 21 + HB3 SER 24 OK 58 99 95 61 2.3-4.5 3714=30, 3714/1.8=25...(4) Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * H SER 24 + HB3 SER 24 OK 94 100 100 94 2.2-3.6 4.0=52, 571/1.8=37...(11) H SER 24 + HB2 SER 24 OK 94 100 100 94 2.3-3.0 4.0=52, 572/1.8=37...(11) H LYS 27 - HB3 SER 24 far 0 99 0 - 8.6-9.2 H LYS 27 - HB2 SER 24 far 0 99 0 - 8.8-9.4 Violated in 0 structures by 0.00 A. Peak 1533 from cnoeabs.peaks (4.08, 3.97, 63.03 ppm; 2.88 A): 4 out of 4 assignments used, quality = 1.00: * HA SER 24 + HB3 SER 24 OK 96 100 100 96 2.4-3.0 3.0=86, 1526/1.8=34...(9) HA SER 24 + HB2 SER 24 OK 96 100 100 96 2.3-3.0 3.0=86, 1527/1.8=34...(9) HA ARG 21 + HB2 SER 24 OK 61 99 100 62 2.7-4.0 3716=30, 3716/1.8=25...(4) HA ARG 21 + HB3 SER 24 OK 58 99 95 61 2.3-4.5 3716=30, 3714/1.8=25...(4) Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * H HIS 25 + HA HIS 25 OK 100 100 100 100 2.8-2.9 2.9=100 HE22 GLN 26 - HA HIS 25 far 10 97 10 - 5.0-8.0 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.5-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1541 from cnoeabs.peaks (7.63, 3.37, 31.20 ppm; 3.99 A): 2 out of 2 assignments used, quality = 1.00: * H HIS 25 + HB2 HIS 25 OK 100 100 100 100 2.2-3.6 3.9=100 HE22 GLN 26 + HB2 HIS 25 OK 63 97 80 80 2.7-6.4 1546/1.8=26, 3.5/4184=21...(8) Violated in 0 structures by 0.00 A. Peak 1542 from cnoeabs.peaks (4.70, 3.37, 31.20 ppm; 3.73 A): 1 out of 2 assignments used, quality = 1.00: * HA HIS 25 + HB2 HIS 25 OK 100 100 100 100 2.5-3.0 3.0=100 HA TYR 28 - HB2 HIS 25 far 0 83 0 - 8.0-10.2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.7-4.0 3.9=100 Violated in 0 structures by 0.00 A. Peak 1546 from cnoeabs.peaks (7.63, 3.31, 31.20 ppm; 4.04 A): 2 out of 2 assignments used, quality = 1.00: * H HIS 25 + HB3 HIS 25 OK 100 100 100 100 2.2-3.6 3.9=100 HE22 GLN 26 + HB3 HIS 25 OK 55 97 70 80 2.7-7.8 1541/1.8=30, 6.8/89=20...(8) Violated in 0 structures by 0.00 A. Peak 1547 from cnoeabs.peaks (4.70, 3.31, 31.20 ppm; 3.86 A): 1 out of 2 assignments used, quality = 1.00: * HA HIS 25 + HB3 HIS 25 OK 100 100 100 100 2.4-3.0 3.0=100 HA TYR 28 - HB3 HIS 25 far 0 83 0 - 8.2-10.7 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.7-4.0 3.9=100 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * H GLN 26 + HA GLN 26 OK 100 100 100 100 2.8-2.9 2.9=100 H LEU 29 - HA GLN 26 far 0 100 0 - 6.7-7.7 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HB2 GLN 26 + HA GLN 26 OK 100 100 100 100 2.3-2.9 3.0=100 HB3 GLN 26 + HA GLN 26 OK 100 100 100 100 2.5-2.8 3.0=100 HB3 ARG 56 - HA GLN 26 far 0 93 0 - 7.4-12.6 Violated in 0 structures by 0.00 A. Peak 1559 from cnoeabs.peaks (2.02, 4.49, 55.44 ppm; 3.54 A): 2 out of 3 assignments used, quality = 1.00: HB2 GLN 26 + HA GLN 26 OK 100 100 100 100 2.3-2.9 3.0=100 * HB3 GLN 26 + HA GLN 26 OK 100 100 100 100 2.5-2.8 3.0=100 HB3 ARG 56 - HA GLN 26 far 0 93 0 - 7.4-12.6 Violated in 0 structures by 0.00 A. Peak 1560 from cnoeabs.peaks (2.29, 4.49, 55.44 ppm; 3.98 A): 2 out of 4 assignments used, quality = 1.00: * HG2 GLN 26 + HA GLN 26 OK 100 100 100 100 2.2-3.8 3.9=100 HG3 GLN 26 + HA GLN 26 OK 100 100 100 100 2.2-3.9 3.9=100 HG2 GLU 67 - HA GLN 26 far 0 99 0 - 5.6-28.4 HB3 GLU 33 - HA GLN 26 far 0 60 0 - 8.7-10.0 Violated in 0 structures by 0.00 A. Peak 1561 from cnoeabs.peaks (2.29, 4.49, 55.44 ppm; 3.98 A): 2 out of 4 assignments used, quality = 1.00: * HG3 GLN 26 + HA GLN 26 OK 100 100 100 100 2.2-3.9 3.9=100 HG2 GLN 26 + HA GLN 26 OK 100 100 100 100 2.2-3.8 3.9=100 HG2 GLU 67 - HA GLN 26 far 0 98 0 - 5.6-28.4 HB3 GLU 33 - HA GLN 26 far 0 63 0 - 8.7-10.0 Violated in 0 structures by 0.00 A. Peak 1564 from cnoeabs.peaks (8.51, 2.02, 31.80 ppm; 4.07 A): 2 out of 6 assignments used, quality = 1.00: * H GLN 26 + HB2 GLN 26 OK 100 100 100 100 2.9-4.1 3.9=100 H GLN 26 + HB3 GLN 26 OK 100 100 100 100 3.3-3.8 3.9=100 H LEU 29 - HB2 GLN 26 poor 19 100 25 76 5.1-6.3 2.9/4192=26, 608/4193=20...(9) H LEU 29 - HB3 GLN 26 poor 19 100 25 76 4.5-7.1 2.9/4192=26, 608/4193=20...(8) H LEU 29 - HB3 ARG 56 far 0 72 0 - 7.0-11.2 H GLN 26 - HB3 ARG 56 far 0 72 0 - 7.8-12.0 Violated in 0 structures by 0.00 A. Peak 1565 from cnoeabs.peaks (4.49, 2.02, 31.80 ppm; 3.38 A): 2 out of 3 assignments used, quality = 1.00: * HA GLN 26 + HB2 GLN 26 OK 100 100 100 100 2.3-2.9 3.0=100 HA GLN 26 + HB3 GLN 26 OK 100 100 100 100 2.5-2.8 3.0=100 HA GLN 26 - HB3 ARG 56 far 0 72 0 - 7.4-12.6 Violated in 0 structures by 0.00 A. 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 10 assignments used, quality = 1.00: HG2 GLN 26 + HB3 GLN 26 OK 100 100 100 100 2.3-2.7 3.0=100 HG3 GLN 26 + HB2 GLN 26 OK 100 100 100 100 2.3-2.6 3.0=100 * HG2 GLN 26 + HB2 GLN 26 OK 100 100 100 100 2.9-3.0 3.0=100 HG3 GLN 26 + HB3 GLN 26 OK 100 100 100 100 2.9-3.0 3.0=100 HB3 GLU 33 - HB2 GLN 26 far 0 60 0 - 6.0-8.3 HB3 GLU 33 - HB3 GLN 26 far 0 60 0 - 6.4-8.0 HG2 GLU 67 - HB2 GLN 26 far 0 99 0 - 7.5-29.6 HG3 GLN 26 - HB3 ARG 56 far 0 72 0 - 7.5-12.9 HG2 GLU 67 - HB3 GLN 26 far 0 99 0 - 8.1-30.5 HG2 GLN 26 - HB3 ARG 56 far 0 72 0 - 8.7-12.6 Violated in 0 structures by 0.00 A. Peak 1569 from cnoeabs.peaks (2.29, 2.02, 31.80 ppm; 3.23 A): 4 out of 10 assignments used, quality = 1.00: * HG3 GLN 26 + HB2 GLN 26 OK 100 100 100 100 2.3-2.6 3.0=100 HG2 GLN 26 + HB3 GLN 26 OK 100 100 100 100 2.3-2.7 3.0=100 HG3 GLN 26 + HB3 GLN 26 OK 100 100 100 100 2.9-3.0 3.0=100 HG2 GLN 26 + HB2 GLN 26 OK 100 100 100 100 2.9-3.0 3.0=100 HB3 GLU 33 - HB2 GLN 26 far 0 63 0 - 6.0-8.3 HB3 GLU 33 - HB3 GLN 26 far 0 63 0 - 6.4-8.0 HG2 GLU 67 - HB2 GLN 26 far 0 98 0 - 7.5-29.6 HG3 GLN 26 - HB3 ARG 56 far 0 72 0 - 7.5-12.9 HG2 GLU 67 - HB3 GLN 26 far 0 98 0 - 8.1-30.5 HG2 GLN 26 - HB3 ARG 56 far 0 72 0 - 8.7-12.6 Violated in 0 structures by 0.00 A. 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 + HB2 GLN 26 OK 100 100 100 100 3.5-4.8 4.6=100 HE21 GLN 26 + HB3 GLN 26 OK 100 100 100 100 3.6-4.2 4.6=100 Violated in 0 structures by 0.00 A. Peak 1571 from cnoeabs.peaks (7.64, 2.02, 31.80 ppm; 4.26 A): 4 out of 5 assignments used, quality = 1.00: * HE22 GLN 26 + HB2 GLN 26 OK 99 100 100 99 1.9-4.4 4.6=78, 430/1.8=42...(14) HE22 GLN 26 + HB3 GLN 26 OK 99 100 100 99 2.3-3.7 4.6=78, 430/1.8=42...(14) H HIS 25 + HB3 GLN 26 OK 66 97 75 90 5.2-6.2 877/3.9=59, 2.9/4187=45...(8) H HIS 25 + HB2 GLN 26 OK 22 97 25 88 4.7-6.6 877/3.9=59, ~4187=31...(8) H HIS 25 - HB3 ARG 56 far 0 67 0 - 9.4-13.0 Violated in 0 structures by 0.00 A. Peak 1572 from cnoeabs.peaks (8.51, 2.02, 31.80 ppm; 4.07 A): 2 out of 6 assignments used, quality = 1.00: H GLN 26 + HB2 GLN 26 OK 100 100 100 100 2.9-4.1 3.9=100 * H GLN 26 + HB3 GLN 26 OK 100 100 100 100 3.3-3.8 3.9=100 H LEU 29 - HB2 GLN 26 poor 19 100 25 76 5.1-6.3 2.9/4192=26, 608/4193=20...(9) H LEU 29 - HB3 GLN 26 poor 19 100 25 76 4.5-7.1 2.9/4192=26, 608/4193=20...(8) H LEU 29 - HB3 ARG 56 far 0 72 0 - 7.0-11.2 H GLN 26 - HB3 ARG 56 far 0 72 0 - 7.8-12.0 Violated in 0 structures by 0.00 A. Peak 1573 from cnoeabs.peaks (4.49, 2.02, 31.80 ppm; 3.38 A): 2 out of 3 assignments used, quality = 1.00: HA GLN 26 + HB2 GLN 26 OK 100 100 100 100 2.3-2.9 3.0=100 * HA GLN 26 + HB3 GLN 26 OK 100 100 100 100 2.5-2.8 3.0=100 HA GLN 26 - HB3 ARG 56 far 0 72 0 - 7.4-12.6 Violated in 0 structures by 0.00 A. 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 10 assignments used, quality = 1.00: * HG2 GLN 26 + HB3 GLN 26 OK 100 100 100 100 2.3-2.7 3.0=100 HG3 GLN 26 + HB2 GLN 26 OK 100 100 100 100 2.3-2.6 3.0=100 HG2 GLN 26 + HB2 GLN 26 OK 100 100 100 100 2.9-3.0 3.0=100 HG3 GLN 26 + HB3 GLN 26 OK 100 100 100 100 2.9-3.0 3.0=100 HB3 GLU 33 - HB2 GLN 26 far 0 60 0 - 6.0-8.3 HB3 GLU 33 - HB3 GLN 26 far 0 60 0 - 6.4-8.0 HG2 GLU 67 - HB2 GLN 26 far 0 99 0 - 7.5-29.6 HG3 GLN 26 - HB3 ARG 56 far 0 72 0 - 7.5-12.9 HG2 GLU 67 - HB3 GLN 26 far 0 99 0 - 8.1-30.5 HG2 GLN 26 - HB3 ARG 56 far 0 72 0 - 8.7-12.6 Violated in 0 structures by 0.00 A. Peak 1577 from cnoeabs.peaks (2.29, 2.02, 31.80 ppm; 3.23 A): 4 out of 10 assignments used, quality = 1.00: HG3 GLN 26 + HB2 GLN 26 OK 100 100 100 100 2.3-2.6 3.0=100 HG2 GLN 26 + HB3 GLN 26 OK 100 100 100 100 2.3-2.7 3.0=100 * HG3 GLN 26 + HB3 GLN 26 OK 100 100 100 100 2.9-3.0 3.0=100 HG2 GLN 26 + HB2 GLN 26 OK 100 100 100 100 2.9-3.0 3.0=100 HB3 GLU 33 - HB2 GLN 26 far 0 63 0 - 6.0-8.3 HB3 GLU 33 - HB3 GLN 26 far 0 63 0 - 6.4-8.0 HG2 GLU 67 - HB2 GLN 26 far 0 98 0 - 7.5-29.6 HG3 GLN 26 - HB3 ARG 56 far 0 72 0 - 7.5-12.9 HG2 GLU 67 - HB3 GLN 26 far 0 98 0 - 8.1-30.5 HG2 GLN 26 - HB3 ARG 56 far 0 72 0 - 8.7-12.6 Violated in 0 structures by 0.00 A. 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 + HB2 GLN 26 OK 100 100 100 100 3.5-4.8 4.6=100 * HE21 GLN 26 + HB3 GLN 26 OK 100 100 100 100 3.6-4.2 4.6=100 Violated in 0 structures by 0.00 A. Peak 1579 from cnoeabs.peaks (7.64, 2.02, 31.80 ppm; 4.26 A): 4 out of 5 assignments used, quality = 1.00: HE22 GLN 26 + HB2 GLN 26 OK 99 100 100 99 1.9-4.4 4.6=78, 430/1.8=42...(14) * HE22 GLN 26 + HB3 GLN 26 OK 99 100 100 99 2.3-3.7 4.6=78, 430/1.8=42...(14) H HIS 25 + HB3 GLN 26 OK 66 97 75 90 5.2-6.2 877/3.9=59, 2.9/4187=45...(8) H HIS 25 + HB2 GLN 26 OK 22 97 25 88 4.7-6.6 877/3.9=59, ~4187=31...(8) H HIS 25 - HB3 ARG 56 far 0 67 0 - 9.4-13.0 Violated in 0 structures by 0.00 A. 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 99 100 100 99 2.7-5.0 4.9=59, 583/1.8=42...(16) H GLN 26 + HG3 GLN 26 OK 99 100 100 99 3.7-4.3 4.9=59, 582/1.8=43...(14) H LEU 29 + HG3 GLN 26 OK 68 100 75 91 3.5-7.5 2.9/4188=29, ~4191=25...(14) H LEU 29 + HG2 GLN 26 OK 67 100 75 90 4.4-7.2 2.9/4188=26, ~4191=25...(14) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-3.8 3.9=93, 92/4.9=41...(18) HA GLN 26 + HG3 GLN 26 OK 100 100 100 100 2.2-3.9 3.9=93, 92/4.9=41...(18) Violated in 0 structures by 0.00 A. Peak 1582 from cnoeabs.peaks (2.02, 2.29, 34.10 ppm; 3.18 A): 4 out of 6 assignments used, quality = 1.00: HB3 GLN 26 + HG2 GLN 26 OK 100 100 100 100 2.3-2.7 3.0=100 * HB2 GLN 26 + HG2 GLN 26 OK 100 100 100 100 2.9-3.0 3.0=100 HB2 GLN 26 + HG3 GLN 26 OK 100 100 100 100 2.3-2.6 3.0=100 HB3 GLN 26 + HG3 GLN 26 OK 100 100 100 100 2.9-3.0 3.0=100 HB3 ARG 56 - HG3 GLN 26 far 0 93 0 - 7.5-12.9 HB3 ARG 56 - HG2 GLN 26 far 0 93 0 - 8.7-12.6 Violated in 0 structures by 0.00 A. Peak 1583 from cnoeabs.peaks (2.02, 2.29, 34.10 ppm; 3.18 A): 4 out of 6 assignments used, quality = 1.00: * HB3 GLN 26 + HG2 GLN 26 OK 100 100 100 100 2.3-2.7 3.0=100 HB2 GLN 26 + HG2 GLN 26 OK 100 100 100 100 2.9-3.0 3.0=100 HB2 GLN 26 + HG3 GLN 26 OK 100 100 100 100 2.3-2.6 3.0=100 HB3 GLN 26 + HG3 GLN 26 OK 100 100 100 100 2.9-3.0 3.0=100 HB3 ARG 56 - HG3 GLN 26 far 0 93 0 - 7.5-12.9 HB3 ARG 56 - HG2 GLN 26 far 0 93 0 - 8.7-12.6 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.4-4.1 3.5=100 HE21 GLN 26 + HG3 GLN 26 OK 100 100 100 100 3.5-4.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 1587 from cnoeabs.peaks (7.64, 2.29, 34.10 ppm; 3.37 A): 3 out of 4 assignments used, quality = 1.00: HE22 GLN 26 + HG3 GLN 26 OK 99 100 100 99 2.2-3.5 3.5=90, 431/1.8=39...(14) * HE22 GLN 26 + HG2 GLN 26 OK 99 100 100 99 2.1-3.5 3.5=90, 432/1.8=39...(14) H HIS 25 + HG2 GLN 26 OK 42 97 65 67 4.4-7.1 877/4.9=26, 2.9/4189=19...(10) H HIS 25 - HG3 GLN 26 far 0 97 0 - 5.8-6.4 Violated in 0 structures by 0.00 A. 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 99 100 100 99 2.7-5.0 4.9=59, 583/1.8=42...(16) * H GLN 26 + HG3 GLN 26 OK 99 100 100 99 3.7-4.3 4.9=59, 582/1.8=43...(14) H LEU 29 + HG3 GLN 26 OK 68 100 75 91 3.5-7.5 2.9/4188=29, ~4191=25...(14) H LEU 29 + HG2 GLN 26 OK 67 100 75 90 4.4-7.2 2.9/4188=26, ~4191=25...(14) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-3.9 3.9=93, 92/4.9=41...(18) HA GLN 26 + HG2 GLN 26 OK 100 100 100 100 2.2-3.8 3.9=93, 92/4.9=41...(18) Violated in 0 structures by 0.00 A. Peak 1590 from cnoeabs.peaks (2.02, 2.29, 34.10 ppm; 3.18 A): 4 out of 6 assignments used, quality = 1.00: * HB2 GLN 26 + HG3 GLN 26 OK 100 100 100 100 2.3-2.6 3.0=100 HB3 GLN 26 + HG3 GLN 26 OK 100 100 100 100 2.9-3.0 3.0=100 HB3 GLN 26 + HG2 GLN 26 OK 100 100 100 100 2.3-2.7 3.0=100 HB2 GLN 26 + HG2 GLN 26 OK 100 100 100 100 2.9-3.0 3.0=100 HB3 ARG 56 - HG3 GLN 26 far 0 93 0 - 7.5-12.9 HB3 ARG 56 - HG2 GLN 26 far 0 93 0 - 8.7-12.6 Violated in 0 structures by 0.00 A. Peak 1591 from cnoeabs.peaks (2.02, 2.29, 34.10 ppm; 3.18 A): 4 out of 6 assignments used, quality = 1.00: HB2 GLN 26 + HG3 GLN 26 OK 100 100 100 100 2.3-2.6 3.0=100 * HB3 GLN 26 + HG3 GLN 26 OK 100 100 100 100 2.9-3.0 3.0=100 HB3 GLN 26 + HG2 GLN 26 OK 100 100 100 100 2.3-2.7 3.0=100 HB2 GLN 26 + HG2 GLN 26 OK 100 100 100 100 2.9-3.0 3.0=100 HB3 ARG 56 - HG3 GLN 26 far 0 93 0 - 7.5-12.9 HB3 ARG 56 - HG2 GLN 26 far 0 93 0 - 8.7-12.6 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.5-4.1 3.5=100 HE21 GLN 26 + HG2 GLN 26 OK 100 100 100 100 3.4-4.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 1595 from cnoeabs.peaks (7.64, 2.29, 34.10 ppm; 3.37 A): 3 out of 4 assignments used, quality = 1.00: * HE22 GLN 26 + HG3 GLN 26 OK 99 100 100 99 2.2-3.5 3.5=90, 431/1.8=39...(14) HE22 GLN 26 + HG2 GLN 26 OK 99 100 100 99 2.1-3.5 3.5=90, 432/1.8=39...(14) H HIS 25 + HG2 GLN 26 OK 42 97 65 67 4.4-7.1 877/4.9=26, 2.9/4189=19...(10) H HIS 25 - HG3 GLN 26 far 0 97 0 - 5.8-6.4 Violated in 0 structures by 0.00 A. Peak 1596 from cnoeabs.peaks (8.12, 3.90, 56.76 ppm; 3.90 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 27 + HA LYS 27 OK 100 100 100 100 2.8-2.9 3.0=100 H SER 24 - HA LYS 27 far 0 99 0 - 6.2-6.9 Violated in 0 structures by 0.00 A. 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 6 assignments used, quality = 1.00: * HB2 LYS 27 + HA LYS 27 OK 100 100 100 100 2.3-2.6 3.0=100 HG3 LYS 62 - HA LYS 27 far 0 92 0 - 7.2-19.2 HG3 LYS 49 - HA LYS 27 far 0 83 0 - 7.5-12.8 HG2 LYS 60 - HA LYS 27 far 0 99 0 - 7.9-16.5 HG3 LYS 60 - HA LYS 27 far 0 98 0 - 8.1-15.2 HG2 LYS 62 - HA LYS 27 far 0 92 0 - 8.6-18.7 Violated in 0 structures by 0.00 A. Peak 1599 from cnoeabs.peaks (1.56, 3.90, 56.76 ppm; 3.69 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LYS 27 + HA LYS 27 OK 100 100 100 100 3.0-3.0 3.0=100 HG3 ARG 34 - HA LYS 27 far 0 68 0 - 8.8-11.0 HG2 LYS 49 - HA LYS 27 far 0 97 0 - 8.9-12.2 HG LEU 37 - HA LYS 27 far 0 100 0 - 9.0-12.7 HD3 LYS 58 - HA LYS 27 far 0 83 0 - 9.6-15.9 Violated in 0 structures by 0.00 A. Peak 1600 from cnoeabs.peaks (0.63, 3.90, 56.76 ppm; 3.70 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 27 + HA LYS 27 OK 100 100 100 100 2.7-3.8 3.7=100 HB2 ARG 55 - HA LYS 27 far 0 87 0 - 5.9-8.7 Violated in 5 structures by 0.01 A. 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 100 100 100 100 2.8-3.9 3.7=100 Violated in 0 structures by 0.00 A. Peak 1602 from cnoeabs.peaks (1.23, 3.90, 56.76 ppm; 3.97 A): 1 out of 2 assignments used, quality = 1.00: * HD2 LYS 27 + HA LYS 27 OK 100 100 100 100 2.1-4.0 1647=79, 1.8/1603=56...(15) HB2 LEU 29 - HA LYS 27 far 0 96 0 - 7.8-9.0 Violated in 0 structures by 0.00 A. Peak 1603 from cnoeabs.peaks (1.33, 3.90, 56.76 ppm; 4.71 A): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 27 + HA LYS 27 OK 100 100 100 100 2.0-3.1 1657=95, 1.8/1602=93...(14) Violated in 0 structures by 0.00 A. Peak 1606 from cnoeabs.peaks (8.12, 1.42, 32.95 ppm; 4.25 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 27 + HB2 LYS 27 OK 100 100 100 100 3.6-3.6 4.0=100 H SER 24 - HB2 LYS 27 far 0 99 0 - 8.1-9.3 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-2.6 3.0=100 Violated in 0 structures by 0.00 A. 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 5 assignments used, quality = 1.00: * HB3 LYS 27 + HB2 LYS 27 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 LYS 49 - HB2 LYS 27 far 0 97 0 - 8.1-11.7 HD3 LYS 58 - HB2 LYS 27 far 0 83 0 - 8.9-15.8 HD2 LYS 58 - HB2 LYS 27 far 0 83 0 - 9.3-16.7 HG3 ARG 34 - HB2 LYS 27 far 0 68 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 1610 from cnoeabs.peaks (0.63, 1.42, 32.95 ppm; 4.08 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 27 + HB2 LYS 27 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 ARG 55 - HB2 LYS 27 far 0 87 0 - 6.1-9.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1612 from cnoeabs.peaks (1.23, 1.42, 32.95 ppm; 4.17 A): 1 out of 2 assignments used, quality = 1.00: * HD2 LYS 27 + HB2 LYS 27 OK 100 100 100 100 2.2-3.8 3.8=100 HB2 LEU 29 - HB2 LYS 27 far 0 96 0 - 9.3-10.3 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-3.2 3.8=100 Violated in 0 structures by 0.00 A. Peak 1616 from cnoeabs.peaks (8.12, 1.56, 32.95 ppm; 3.91 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 27 + HB3 LYS 27 OK 100 100 100 100 2.3-2.8 589=100, 588/1.8=79...(11) H SER 24 - HB3 LYS 27 far 0 99 0 - 9.0-9.7 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1618 from cnoeabs.peaks (1.42, 1.56, 32.95 ppm; 2.82 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LYS 27 + HB3 LYS 27 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 LYS 49 - HB3 LYS 27 far 0 83 0 - 7.3-12.8 HG2 LYS 60 - HB3 LYS 27 far 0 99 0 - 8.0-18.7 HG3 LYS 60 - HB3 LYS 27 far 0 98 0 - 9.2-17.2 HG3 LYS 62 - HB3 LYS 27 far 0 92 0 - 9.3-20.5 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HG2 LYS 27 + HB3 LYS 27 OK 100 100 100 100 2.4-2.7 3.0=100 HB2 ARG 55 - HB3 LYS 27 far 0 87 0 - 7.7-11.4 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-2.5 3.0=100 Violated in 0 structures by 0.00 A. Peak 1622 from cnoeabs.peaks (1.23, 1.56, 32.95 ppm; 4.34 A): 1 out of 2 assignments used, quality = 1.00: * HD2 LYS 27 + HB3 LYS 27 OK 100 100 100 100 3.5-4.2 3.8=100 HB2 LEU 29 - HB3 LYS 27 far 0 96 0 - 8.9-9.7 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.4-3.9 3.8=100 Violated in 0 structures by 0.00 A. Peak 1624 from cnoeabs.peaks (2.84, 1.56, 32.95 ppm; 5.13 A): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 27 + HB3 LYS 27 OK 100 100 100 100 3.2-4.8 5.2=98, 3.0/1659=73...(10) HD3 ARG 56 + HB3 LYS 27 OK 70 99 75 94 2.7-8.1 4668/4670=49...(8) Violated in 0 structures by 0.00 A. Peak 1626 from cnoeabs.peaks (8.12, 0.63, 24.91 ppm; 4.62 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 27 + HG2 LYS 27 OK 100 100 100 100 1.9-3.8 590=100, 591/1.8=98...(10) H SER 24 - HG2 LYS 27 far 0 99 0 - 7.8-10.0 H LEU 68 - HG2 LYS 27 far 0 78 0 - 9.6-27.0 Violated in 0 structures by 0.00 A. Peak 1627 from cnoeabs.peaks (3.90, 0.63, 24.91 ppm; 4.23 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 27 + HG2 LYS 27 OK 100 100 100 100 2.7-3.8 3.7=100 HB2 SER 65 - HG2 LYS 27 far 0 63 0 - 9.1-24.2 Violated in 0 structures by 0.00 A. Peak 1628 from cnoeabs.peaks (1.42, 0.63, 24.91 ppm; 4.19 A): 1 out of 6 assignments used, quality = 1.00: * HB2 LYS 27 + HG2 LYS 27 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 LYS 60 - HG2 LYS 27 far 0 99 0 - 6.4-17.4 HG3 LYS 60 - HG2 LYS 27 far 0 98 0 - 7.7-16.3 HG3 LYS 62 - HG2 LYS 27 far 0 92 0 - 7.7-20.4 HG2 LYS 62 - HG2 LYS 27 far 0 92 0 - 9.2-20.9 HG3 LYS 49 - HG2 LYS 27 far 0 83 0 - 9.6-14.8 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-2.7 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 1632 from cnoeabs.peaks (1.23, 0.63, 24.91 ppm; 3.58 A): 1 out of 2 assignments used, quality = 1.00: * HD2 LYS 27 + HG2 LYS 27 OK 100 100 100 100 2.2-3.0 2.9=100 HB2 LEU 29 - HG2 LYS 27 far 0 96 0 - 9.9-11.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 2.9=100 Violated in 0 structures by 0.00 A. Peak 1634 from cnoeabs.peaks (2.84, 0.63, 24.91 ppm; 4.75 A): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 27 + HG2 LYS 27 OK 100 100 100 100 2.1-3.8 3.8=100 HD3 ARG 56 + HG2 LYS 27 OK 56 99 65 87 2.3-8.2 1644/1.8=31, 1664/2.9=26...(8) Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.0-4.2 3.8=100 Violated in 0 structures by 0.00 A. Peak 1636 from cnoeabs.peaks (8.12, 1.16, 24.91 ppm; 4.23 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 27 + HG3 LYS 27 OK 100 100 100 100 2.1-3.5 591=100, 590/1.8=86...(11) H SER 24 - HG3 LYS 27 far 0 99 0 - 8.1-9.9 H LEU 68 - HG3 LYS 27 far 0 78 0 - 8.7-26.7 Violated in 0 structures by 0.00 A. Peak 1637 from cnoeabs.peaks (3.90, 1.16, 24.91 ppm; 4.33 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 27 + HG3 LYS 27 OK 100 100 100 100 2.8-3.9 3.7=100 HB2 SER 65 - HG3 LYS 27 far 0 63 0 - 9.6-24.1 Violated in 0 structures by 0.00 A. Peak 1638 from cnoeabs.peaks (1.42, 1.16, 24.91 ppm; 4.05 A): 1 out of 6 assignments used, quality = 1.00: * HB2 LYS 27 + HG3 LYS 27 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 LYS 60 - HG3 LYS 27 far 0 99 0 - 5.7-18.1 HG3 LYS 60 - HG3 LYS 27 far 0 98 0 - 7.1-16.5 HG3 LYS 62 - HG3 LYS 27 far 0 92 0 - 7.8-21.0 HG2 LYS 62 - HG3 LYS 27 far 0 92 0 - 9.1-21.4 HG3 LYS 49 - HG3 LYS 27 far 0 83 0 - 9.2-14.5 Violated in 0 structures by 0.00 A. Peak 1639 from cnoeabs.peaks (1.56, 1.16, 24.91 ppm; 4.09 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LYS 27 + HG3 LYS 27 OK 100 100 100 100 2.2-2.5 3.0=100 HD3 LYS 58 - HG3 LYS 27 far 0 83 0 - 9.9-18.1 Violated in 0 structures by 0.00 A. Peak 1640 from cnoeabs.peaks (0.63, 1.16, 24.91 ppm; 2.89 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 27 + HG3 LYS 27 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 ARG 55 - HG3 LYS 27 far 0 87 0 - 7.8-11.3 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 2.9=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-3.0 2.9=100 Violated in 0 structures by 0.00 A. Peak 1644 from cnoeabs.peaks (2.84, 1.16, 24.91 ppm; 4.61 A): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 27 + HG3 LYS 27 OK 100 100 100 100 2.1-3.7 3.8=100 HD3 ARG 56 + HG3 LYS 27 OK 61 99 75 83 3.0-7.7 1634/1.8=27, 1664/2.9=25...(8) Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.0-4.2 3.8=100 Violated in 0 structures by 0.00 A. Peak 1646 from cnoeabs.peaks (8.12, 1.23, 28.52 ppm; 5.04 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 27 + HD2 LYS 27 OK 100 100 100 100 3.0-4.5 592=100, 591/2.9=92...(9) H SER 24 - HD2 LYS 27 far 10 99 10 - 6.2-8.9 H LEU 68 - HD2 LYS 27 far 0 78 0 - 9.5-25.3 Violated in 0 structures by 0.00 A. Peak 1647 from cnoeabs.peaks (3.90, 1.23, 28.52 ppm; 4.30 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 27 + HD2 LYS 27 OK 100 100 100 100 2.1-4.0 1602=100, 1603/1.8=67...(15) Violated in 0 structures by 0.00 A. Peak 1648 from cnoeabs.peaks (1.42, 1.23, 28.52 ppm; 4.28 A): 1 out of 6 assignments used, quality = 1.00: * HB2 LYS 27 + HD2 LYS 27 OK 100 100 100 100 2.2-3.8 3.8=100 HG2 LYS 60 - HD2 LYS 27 far 10 99 10 - 5.1-15.9 HG3 LYS 60 - HD2 LYS 27 far 5 98 5 - 5.6-14.3 HG3 LYS 62 - HD2 LYS 27 far 5 92 5 - 5.8-19.6 HG2 LYS 62 - HD2 LYS 27 far 0 92 0 - 7.4-20.1 HG3 LYS 49 - HD2 LYS 27 far 0 83 0 - 9.3-15.8 Violated in 0 structures by 0.00 A. Peak 1649 from cnoeabs.peaks (1.56, 1.23, 28.52 ppm; 4.42 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LYS 27 + HD2 LYS 27 OK 100 100 100 100 3.5-4.2 3.8=100 HD2 LYS 58 - HD2 LYS 27 far 0 83 0 - 8.2-15.9 HD3 LYS 58 - HD2 LYS 27 far 0 83 0 - 8.8-16.7 Violated in 0 structures by 0.00 A. Peak 1650 from cnoeabs.peaks (0.63, 1.23, 28.52 ppm; 3.81 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 27 + HD2 LYS 27 OK 100 100 100 100 2.2-3.0 2.9=100 HB2 ARG 55 - HD2 LYS 27 far 0 87 0 - 5.7-9.8 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 2.9=100 Violated in 2 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HD3 LYS 27 + HD2 LYS 27 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 LYS 58 - HD2 LYS 27 far 0 68 0 - 9.2-15.0 Violated in 0 structures by 0.00 A. Peak 1654 from cnoeabs.peaks (2.84, 1.23, 28.52 ppm; 4.00 A): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 27 + HD2 LYS 27 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 ARG 56 + HD2 LYS 27 OK 46 99 60 77 3.3-6.9 1664/1.8=25, 1644/2.9=19...(9) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1656 from cnoeabs.peaks (8.12, 1.33, 28.52 ppm; 5.11 A): 2 out of 3 assignments used, quality = 1.00: * H LYS 27 + HD3 LYS 27 OK 100 100 100 100 2.8-4.7 593=100, 591/2.9=93...(10) H THR 46 + HG2 ARG 34 OK 25 37 85 79 5.0-7.5 3.6/4511=43, 4.6/4510=22...(7) H SER 24 - HD3 LYS 27 poor 20 99 20 - 6.0-8.6 Violated in 0 structures by 0.00 A. Peak 1657 from cnoeabs.peaks (3.90, 1.33, 28.52 ppm; 4.78 A): 1 out of 3 assignments used, quality = 1.00: * HA LYS 27 + HD3 LYS 27 OK 100 100 100 100 2.0-3.1 1603=100, 1602/1.8=95...(14) HA THR 46 - HG2 ARG 34 far 3 56 5 - 5.3-7.8 HD2 PRO 32 - HG2 ARG 34 far 0 51 0 - 8.2-9.2 Violated in 0 structures by 0.00 A. Peak 1658 from cnoeabs.peaks (1.42, 1.33, 28.52 ppm; 3.20 A): 1 out of 9 assignments used, quality = 0.96: * HB2 LYS 27 + HD3 LYS 27 OK 96 100 100 96 2.1-3.2 3.8=62, 1.8/1659=54...(10) HG3 LYS 62 - HD3 LYS 27 far 0 92 0 - 5.7-18.9 HG2 LYS 60 - HD3 LYS 27 far 0 99 0 - 5.9-15.9 HG3 LYS 60 - HD3 LYS 27 far 0 98 0 - 6.3-14.4 HG3 LYS 49 - HG2 ARG 34 far 0 40 0 - 7.0-8.8 HG2 LYS 62 - HD3 LYS 27 far 0 92 0 - 7.1-19.2 HB3 LEU 41 - HG2 ARG 34 far 0 52 0 - 8.4-10.7 HG3 LYS 49 - HD3 LYS 27 far 0 83 0 - 9.2-14.3 HG2 LYS 39 - HG2 ARG 34 far 0 49 0 - 9.9-11.2 Violated in 0 structures by 0.00 A. Peak 1659 from cnoeabs.peaks (1.56, 1.33, 28.52 ppm; 3.14 A): 2 out of 8 assignments used, quality = 0.97: * HB3 LYS 27 + HD3 LYS 27 OK 96 100 100 96 3.4-3.9 1.8/1658=67, 3.8=58...(9) HG3 ARG 34 + HG2 ARG 34 OK 31 31 100 100 1.8-1.8 1.8=100 HG LEU 37 - HG2 ARG 34 far 0 56 0 - 5.0-7.0 HG2 LYS 49 - HG2 ARG 34 far 0 50 0 - 6.0-9.0 QB ALA 31 - HG2 ARG 34 far 0 55 0 - 6.6-7.3 HG3 LYS 39 - HG2 ARG 34 far 0 46 0 - 8.4-10.3 HD2 LYS 58 - HD3 LYS 27 far 0 83 0 - 9.2-15.4 HD3 LYS 58 - HD3 LYS 27 far 0 83 0 - 9.4-16.2 Violated in 0 structures by 0.00 A. Peak 1660 from cnoeabs.peaks (0.63, 1.33, 28.52 ppm; 4.12 A): 1 out of 3 assignments used, quality = 1.00: * HG2 LYS 27 + HD3 LYS 27 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 ARG 55 - HD3 LYS 27 far 9 87 10 - 5.5-9.0 QD1 LEU 43 - HG2 ARG 34 far 0 35 0 - 6.9-7.8 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-3.0 2.9=100 Violated in 0 structures by 0.00 A. Peak 1662 from cnoeabs.peaks (1.23, 1.33, 28.52 ppm; 2.57 A): 1 out of 6 assignments used, quality = 1.00: * HD2 LYS 27 + HD3 LYS 27 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LEU 29 - HG2 ARG 34 far 0 49 0 - 4.6-5.7 HB2 LEU 43 - HG2 ARG 34 far 0 55 0 - 6.8-7.7 QG2 THR 46 - HG2 ARG 34 far 0 40 0 - 6.8-8.8 HG LEU 19 - HG2 ARG 34 far 0 51 0 - 8.4-10.5 HB2 LEU 29 - HD3 LYS 27 far 0 96 0 - 9.8-11.7 Violated in 0 structures by 0.00 A. 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): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 27 + HD3 LYS 27 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 ARG 56 + HD3 LYS 27 OK 49 99 65 77 2.0-6.8 1654/1.8=24, 1644/2.9=19...(9) Violated in 0 structures by 0.00 A. Peak 1665 from cnoeabs.peaks (2.76, 1.33, 28.52 ppm; 4.01 A): 1 out of 2 assignments used, quality = 1.00: * HE3 LYS 27 + HD3 LYS 27 OK 100 100 100 100 2.2-2.7 3.0=100 HB2 ASN 40 - HG2 ARG 34 far 0 56 0 - 8.8-9.8 Violated in 0 structures by 0.00 A. Peak 1670 from cnoeabs.peaks (0.63, 2.84, 42.40 ppm; 4.49 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 27 + HE2 LYS 27 OK 100 100 100 100 2.1-3.8 3.8=100 HB2 ARG 55 - HE2 LYS 27 far 0 87 0 - 6.6-10.3 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-3.7 3.8=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1673 from cnoeabs.peaks (1.33, 2.84, 42.40 ppm; 3.88 A): 1 out of 2 assignments used, quality = 1.00: * HD3 LYS 27 + HE2 LYS 27 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 LYS 58 - HE2 LYS 27 far 0 68 0 - 8.8-14.6 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 1678 from cnoeabs.peaks (1.42, 2.76, 42.40 ppm; 6.00 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LYS 27 + HE3 LYS 27 OK 100 100 100 100 2.0-4.9 5.2=100 HG2 LYS 60 - HE3 LYS 27 far 15 99 15 - 3.6-14.0 HG3 LYS 60 - HE3 LYS 27 far 15 98 15 - 4.3-12.5 HG3 LYS 62 - HE3 LYS 27 far 5 92 5 - 4.4-17.5 HG2 LYS 62 - HE3 LYS 27 far 5 92 5 - 6.1-18.1 Violated in 0 structures by 0.00 A. Peak 1680 from cnoeabs.peaks (0.63, 2.76, 42.40 ppm; 4.61 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 27 + HE3 LYS 27 OK 100 100 100 100 3.0-4.2 3.8=100 HB2 ARG 55 - HE3 LYS 27 far 9 87 10 - 5.7-8.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.0-4.2 3.8=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1683 from cnoeabs.peaks (1.33, 2.76, 42.40 ppm; 4.08 A): 1 out of 2 assignments used, quality = 1.00: * HD3 LYS 27 + HE3 LYS 27 OK 100 100 100 100 2.2-2.7 3.0=100 HG2 LYS 58 - HE3 LYS 27 far 0 68 0 - 8.1-13.4 Violated in 0 structures by 0.00 A. Peak 1684 from cnoeabs.peaks (2.84, 2.76, 42.40 ppm; 2.40 A): 1 out of 2 assignments used, quality = 1.00: * HE2 LYS 27 + HE3 LYS 27 OK 100 100 100 100 1.8-1.8 1.8=100 HD3 ARG 56 - HE3 LYS 27 poor 9 99 25 37 3.4-6.8 4642/4641=6, ~2784=6...(9) Violated in 0 structures by 0.00 A. 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): 2 out of 3 assignments used, quality = 1.00: * H TYR 28 + HA TYR 28 OK 100 100 100 100 2.9-2.9 3.0=100 QE PHE 52 + HA TYR 28 OK 27 68 100 40 3.6-6.0 109/110=25, ~4609=16, 2.2/4638=2 HE22 GLN 53 - HA TYR 28 far 0 100 0 - 8.3-13.8 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HB2 TYR 28 + HA TYR 28 OK 100 100 100 100 2.4-2.7 3.0=100 HE3 LYS 22 - HA TYR 28 far 0 100 0 - 8.0-11.7 Violated in 0 structures by 0.00 A. Peak 1689 from cnoeabs.peaks (2.72, 4.72, 56.38 ppm; 4.37 A): 1 out of 2 assignments used, quality = 1.00: * HB3 TYR 28 + HA TYR 28 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 ARG 56 - HA TYR 28 poor 20 100 20 - 4.7-9.8 Violated in 0 structures by 0.00 A. Peak 1691 from cnoeabs.peaks (7.13, 4.72, 56.38 ppm; 3.65 A): 1 out of 1 assignment used, quality = 0.99: * QD TYR 28 + HA TYR 28 OK 99 100 100 99 2.9-3.7 3.7=93, 4662/3.0=58...(5) Violated in 1 structures by 0.00 A. Peak 1692 from cnoeabs.peaks (7.50, 2.95, 41.18 ppm; 4.63 A): 1 out of 4 assignments used, quality = 1.00: * H TYR 28 + HB2 TYR 28 OK 100 100 100 100 3.6-3.9 3.9=100 QE PHE 52 - HB2 TYR 28 far 7 68 10 - 5.9-8.2 HE22 GLN 53 - HB2 TYR 28 far 0 100 0 - 8.5-14.4 HE21 GLN 63 - HB2 TYR 28 far 0 60 0 - 9.5-28.8 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-2.7 3.0=100 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HB3 TYR 28 + HB2 TYR 28 OK 100 100 100 100 1.8-1.8 1.8=100 HD2 ARG 56 - HB2 TYR 28 far 0 100 0 - 6.2-10.8 Violated in 0 structures by 0.00 A. 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 100 100 100 100 4.4-4.4 4.4=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-2.4 2.5=100 Violated in 0 structures by 0.00 A. Peak 1698 from cnoeabs.peaks (7.50, 2.72, 41.18 ppm; 4.18 A): 1 out of 4 assignments used, quality = 1.00: * H TYR 28 + HB3 TYR 28 OK 100 100 100 100 2.5-3.6 3.9=100 QE PHE 52 - HB3 TYR 28 far 0 68 0 - 5.8-8.1 HE22 GLN 53 - HB3 TYR 28 far 0 100 0 - 8.6-15.8 HE21 GLN 63 - HB3 TYR 28 far 0 60 0 - 9.7-29.3 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1700 from cnoeabs.peaks (2.95, 2.72, 41.18 ppm; 2.91 A): 1 out of 2 assignments used, quality = 1.00: * HB2 TYR 28 + HB3 TYR 28 OK 100 100 100 100 1.8-1.8 1.8=100 HE3 LYS 22 - HB3 TYR 28 far 0 100 0 - 9.2-13.6 Violated in 0 structures by 0.00 A. 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 100 100 100 100 4.4-4.4 4.4=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-2.5 2.5=100 Violated in 0 structures by 0.00 A. 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 92 100 100 4.4-4.4 4.4=100 Violated in 0 structures by 0.00 A. Peak 1707 from cnoeabs.peaks (2.72, 6.79, 117.91 ppm; 4.62 A): 2 out of 2 assignments used, quality = 0.98: * HB3 TYR 28 + QE TYR 28 OK 92 92 100 100 4.4-4.4 4.4=100 HD2 ARG 56 + QE TYR 28 OK 71 91 90 87 2.9-6.6 1.8/4668=58, 1713/2.2=25...(8) Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 0.92: * QD TYR 28 + QE TYR 28 OK 92 92 100 100 2.2-2.2 2.2=100 QD TYR 57 - QE TYR 28 far 0 73 0 - 8.0-12.7 Violated in 0 structures by 0.00 A. Peak 1712 from cnoeabs.peaks (2.95, 7.13, 133.60 ppm; 5.06 A): 1 out of 2 assignments used, quality = 1.00: * HB2 TYR 28 + QD TYR 28 OK 100 100 100 100 2.3-2.4 2.5=100 HE3 LYS 22 - QD TYR 28 far 0 99 0 - 9.6-12.9 Violated in 0 structures by 0.00 A. Peak 1713 from cnoeabs.peaks (2.72, 7.13, 133.60 ppm; 5.21 A): 2 out of 2 assignments used, quality = 1.00: * HB3 TYR 28 + QD TYR 28 OK 100 100 100 100 2.4-2.5 2.5=100 HD2 ARG 56 + QD TYR 28 OK 70 99 75 93 3.8-7.7 ~4668=52, 1707/2.2=38...(9) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-2.2 2.2=100 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HB2 LEU 29 + HA LEU 29 OK 100 100 100 100 2.4-2.6 3.0=100 HD2 LYS 27 - HA LEU 29 far 0 96 0 - 8.6-10.7 Violated in 0 structures by 0.00 A. Peak 1719 from cnoeabs.peaks (1.46, 4.58, 53.06 ppm; 3.53 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 29 + HA LEU 29 OK 100 100 100 100 3.0-3.0 3.0=100 QB ALA 35 - HA LEU 29 far 0 71 0 - 8.1-8.8 HG3 ARG 56 - HA LEU 29 far 0 99 0 - 9.5-12.2 Violated in 0 structures by 0.00 A. Peak 1720 from cnoeabs.peaks (0.74, 4.58, 53.06 ppm; 4.11 A): 1 out of 2 assignments used, quality = 1.00: * HG LEU 29 + HA LEU 29 OK 100 100 100 100 2.8-3.2 3.7=100 QD1 LEU 41 - HA LEU 29 far 0 78 0 - 9.9-12.5 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.8-3.9 4.0=100 Violated in 0 structures by 0.00 A. Peak 1722 from cnoeabs.peaks (0.46, 4.58, 53.06 ppm; 3.31 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 29 + HA LEU 29 OK 100 100 100 100 1.9-2.6 1752=96, 4196/4191=39...(14) Violated in 0 structures by 0.00 A. Peak 1723 from cnoeabs.peaks (8.50, 1.24, 44.31 ppm; 4.57 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 29 + HB2 LEU 29 OK 100 100 100 100 3.5-3.6 4.0=100 H GLN 26 - HB2 LEU 29 far 0 100 0 - 7.3-8.4 Violated in 0 structures by 0.00 A. Peak 1724 from cnoeabs.peaks (4.58, 1.24, 44.31 ppm; 3.68 A): 2 out of 2 assignments used, quality = 1.00: * HA LEU 29 + HB2 LEU 29 OK 100 100 100 100 2.4-2.6 3.0=100 HA SER 30 + HB2 LEU 29 OK 53 57 100 92 4.4-5.0 3.0/117=52, ~118=30...(13) Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HB3 LEU 29 + HB2 LEU 29 OK 100 100 100 100 1.8-1.8 1.8=100 QB ALA 35 - HB2 LEU 29 far 0 71 0 - 6.3-6.8 Violated in 0 structures by 0.00 A. Peak 1727 from cnoeabs.peaks (0.74, 1.24, 44.31 ppm; 4.22 A): 1 out of 3 assignments used, quality = 1.00: * HG LEU 29 + HB2 LEU 29 OK 100 100 100 100 3.0-3.0 3.0=100 QD1 LEU 41 - HB2 LEU 29 far 0 78 0 - 8.4-11.0 QD2 LEU 41 - HB2 LEU 29 far 0 99 0 - 8.8-10.6 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-2.6 3.1=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.0-2.4 3.1=100 Violated in 0 structures by 0.00 A. Peak 1730 from cnoeabs.peaks (8.50, 1.46, 44.31 ppm; 4.15 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 29 + HB3 LEU 29 OK 100 100 100 100 2.2-2.5 4.0=100 H GLN 26 - HB3 LEU 29 far 0 100 0 - 7.2-8.8 Violated in 0 structures by 0.00 A. Peak 1731 from cnoeabs.peaks (4.58, 1.46, 44.31 ppm; 3.78 A): 2 out of 2 assignments used, quality = 1.00: * HA LEU 29 + HB3 LEU 29 OK 100 100 100 100 3.0-3.0 3.0=100 HA SER 30 + HB3 LEU 29 OK 27 57 50 96 4.9-5.6 3.0/118=48, ~117=35...(14) Violated in 0 structures by 0.00 A. Peak 1732 from cnoeabs.peaks (1.24, 1.46, 44.31 ppm; 2.84 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LEU 29 + HB3 LEU 29 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 19 - HB3 LEU 29 far 0 100 0 - 9.4-11.7 HD2 LYS 27 - HB3 LEU 29 far 0 96 0 - 9.5-12.0 HB2 LEU 43 - HB3 LEU 29 far 0 89 0 - 9.6-12.2 QG2 THR 46 - HB3 LEU 29 far 0 99 0 - 9.8-11.2 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HG LEU 29 + HB3 LEU 29 OK 100 100 100 100 2.4-2.7 3.0=100 QD1 LEU 41 - HB3 LEU 29 far 0 78 0 - 8.0-11.1 QD2 LEU 41 - HB3 LEU 29 far 0 99 0 - 8.7-10.8 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-2.5 3.1=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.1-3.2 3.1=100 Violated in 0 structures by 0.00 A. Peak 1737 from cnoeabs.peaks (8.50, 0.74, 26.77 ppm; 5.29 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 29 + HG LEU 29 OK 100 100 100 100 2.3-3.0 5.2=100 H GLN 26 + HG LEU 29 OK 64 100 100 64 4.9-6.7 1751/2.1=43, 1744/2.1=35 Violated in 0 structures by 0.00 A. Peak 1739 from cnoeabs.peaks (1.24, 0.74, 26.77 ppm; 4.79 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LEU 29 + HG LEU 29 OK 100 100 100 100 3.0-3.0 3.0=100 HD2 LYS 27 - HG LEU 29 far 0 96 0 - 7.9-10.5 HG LEU 19 - HG LEU 29 far 0 100 0 - 8.6-10.2 Violated in 0 structures by 0.00 A. Peak 1740 from cnoeabs.peaks (1.46, 0.74, 26.77 ppm; 4.43 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 29 + HG LEU 29 OK 100 100 100 100 2.4-2.7 3.0=100 QB ALA 35 - HG LEU 29 far 0 71 0 - 8.5-8.9 HG3 ARG 56 - HG LEU 29 far 0 99 0 - 8.5-11.0 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 1744 from cnoeabs.peaks (8.50, 0.15, 26.45 ppm; 5.00 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 29 + QD1 LEU 29 OK 100 100 100 100 3.1-3.9 4.8=100 H GLN 26 + QD1 LEU 29 OK 71 100 95 75 5.4-6.8 1751/2.1=41, 1737/2.1=27...(4) Violated in 0 structures by 0.00 A. Peak 1745 from cnoeabs.peaks (4.58, 0.15, 26.45 ppm; 5.21 A): 2 out of 2 assignments used, quality = 1.00: * HA LEU 29 + QD1 LEU 29 OK 100 100 100 100 3.8-3.9 4.0=100 HA SER 30 + QD1 LEU 29 OK 56 57 100 98 6.0-6.5 ~121=60, ~117=48...(9) Violated in 0 structures by 0.00 A. Peak 1746 from cnoeabs.peaks (1.24, 0.15, 26.45 ppm; 4.30 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LEU 29 + QD1 LEU 29 OK 100 100 100 100 2.2-2.6 3.1=100 HG LEU 19 - QD1 LEU 29 far 0 100 0 - 6.1-7.5 HB2 LEU 43 - QD1 LEU 29 far 0 89 0 - 7.0-8.5 HD2 LYS 27 - QD1 LEU 29 far 0 96 0 - 8.3-10.6 QG2 THR 46 - QD1 LEU 29 far 0 99 0 - 8.4-9.9 Violated in 0 structures by 0.00 A. Peak 1747 from cnoeabs.peaks (1.46, 0.15, 26.45 ppm; 3.92 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 29 + QD1 LEU 29 OK 100 100 100 100 2.1-2.5 3.1=100 QB ALA 35 - QD1 LEU 29 far 0 71 0 - 5.6-6.2 HG3 ARG 56 - QD1 LEU 29 far 0 99 0 - 8.3-10.6 HG LEU 43 - QD1 LEU 29 far 0 97 0 - 8.5-10.3 Violated in 0 structures by 0.00 A. Peak 1748 from cnoeabs.peaks (0.74, 0.15, 26.45 ppm; 3.25 A): 1 out of 3 assignments used, quality = 1.00: * HG LEU 29 + QD1 LEU 29 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 41 - QD1 LEU 29 far 0 78 0 - 5.1-7.3 QD2 LEU 41 - QD1 LEU 29 far 0 99 0 - 5.4-7.0 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.9-2.1 2.1=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.4-4.0 608=100, 2.9/1722=87...(12) H GLN 26 + QD2 LEU 29 OK 94 100 100 94 3.8-4.8 3.9/4235=31, 3.9/4235=31...(9) Violated in 0 structures by 0.00 A. Peak 1752 from cnoeabs.peaks (4.58, 0.46, 23.31 ppm; 3.35 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 29 + QD2 LEU 29 OK 100 100 100 100 1.9-2.6 1722=100, 4191/4196=40...(14) HA SER 30 - QD2 LEU 29 far 0 57 0 - 5.0-5.9 Violated in 0 structures by 0.00 A. Peak 1753 from cnoeabs.peaks (1.24, 0.46, 23.31 ppm; 3.84 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LEU 29 + QD2 LEU 29 OK 100 100 100 100 2.0-2.4 3.1=100 HD2 LYS 27 - QD2 LEU 29 far 0 96 0 - 6.9-9.6 HG LEU 19 - QD2 LEU 29 far 0 100 0 - 7.9-8.9 HB2 LEU 43 - QD2 LEU 29 far 0 89 0 - 9.4-10.9 Violated in 0 structures by 0.00 A. Peak 1754 from cnoeabs.peaks (1.46, 0.46, 23.31 ppm; 4.26 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 29 + QD2 LEU 29 OK 100 100 100 100 3.1-3.2 3.1=100 QB ALA 35 - QD2 LEU 29 far 0 71 0 - 6.3-6.9 HG3 ARG 56 - QD2 LEU 29 far 0 99 0 - 8.2-10.8 Violated in 0 structures by 0.00 A. Peak 1755 from cnoeabs.peaks (0.74, 0.46, 23.31 ppm; 3.67 A): 1 out of 3 assignments used, quality = 1.00: * HG LEU 29 + QD2 LEU 29 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 41 - QD2 LEU 29 far 0 78 0 - 6.7-8.8 QD2 LEU 41 - QD2 LEU 29 far 0 99 0 - 6.8-7.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.9-2.1 2.1=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HB2 SER 30 + HA SER 30 OK 100 100 100 100 2.3-3.0 3.0=100 HA ALA 35 - HA SER 30 far 0 60 0 - 9.0-11.3 Violated in 0 structures by 0.00 A. Peak 1761 from cnoeabs.peaks (4.22, 4.55, 56.86 ppm; 3.17 A): 2 out of 2 assignments used, quality = 1.00: * HB3 SER 30 + HA SER 30 OK 100 100 100 100 2.3-3.0 3.0=100 HA ALA 31 + HA SER 30 OK 76 95 95 84 4.3-4.7 3.8/4866=30, 2.1/4282=29...(10) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.5-3.8 4.0=100 Violated in 0 structures by 0.00 A. Peak 1763 from cnoeabs.peaks (4.55, 4.01, 64.90 ppm; 3.49 A): 1 out of 2 assignments used, quality = 1.00: * HA SER 30 + HB2 SER 30 OK 100 100 100 100 2.3-3.0 3.0=100 HA LEU 29 - HB2 SER 30 poor 17 57 30 - 4.4-5.8 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HB3 SER 30 + HB2 SER 30 OK 100 100 100 100 1.8-1.8 1.8=100 HA ALA 31 - HB2 SER 30 far 0 95 0 - 4.6-5.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-3.6 4.0=100 Violated in 0 structures by 0.00 A. Peak 1767 from cnoeabs.peaks (4.55, 4.22, 64.90 ppm; 3.50 A): 1 out of 2 assignments used, quality = 1.00: * HA SER 30 + HB3 SER 30 OK 100 100 100 100 2.3-3.0 3.0=100 HA LEU 29 - HB3 SER 30 poor 7 57 40 29 4.7-5.8 3438/4.0=19, ~1724=6...(4) Violated in 0 structures by 0.00 A. Peak 1768 from cnoeabs.peaks (4.01, 4.22, 64.90 ppm; 2.94 A): 1 out of 2 assignments used, quality = 1.00: * HB2 SER 30 + HB3 SER 30 OK 100 100 100 100 1.8-1.8 1.8=100 HA ALA 35 - HB3 SER 30 far 0 60 0 - 8.7-10.6 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.7-2.9 3.0=100 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * QB ALA 31 + HA ALA 31 OK 100 100 100 100 2.1-2.1 2.1=100 HG3 ARG 34 - HA ALA 31 far 0 63 0 - 6.1-6.8 HG2 LYS 49 - HA ALA 31 far 0 95 0 - 8.4-11.6 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.0-2.8 2.9=100 Violated in 0 structures by 0.00 A. Peak 1774 from cnoeabs.peaks (4.21, 1.56, 15.32 ppm; 2.87 A): 2 out of 2 assignments used, quality = 1.00: * HA ALA 31 + QB ALA 31 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 SER 30 + QB ALA 31 OK 64 95 80 85 3.4-4.9 4265/4273=26...(12) Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.6-4.1 3.6=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.9-4.0 3.0=100 Violated in 1 structures by 0.00 A. Peak 1778 from cnoeabs.peaks (2.31, 3.91, 50.04 ppm; 4.16 A): 3 out of 5 assignments used, quality = 1.00: * HB3 PRO 32 + HD2 PRO 32 OK 100 100 100 100 3.0-4.0 3.0=100 HB3 GLU 33 + HD2 PRO 32 OK 84 98 90 95 4.0-7.4 4.0/131=47, 1808/2.3=31...(17) HG2 GLU 33 + HD2 PRO 32 OK 65 92 80 88 3.6-6.6 1843/131=41, 3.0/1809=23...(12) HG3 GLN 26 - HD2 PRO 32 far 0 85 0 - 9.2-11.4 HG2 GLN 26 - HD2 PRO 32 far 0 83 0 - 9.5-11.7 Violated in 0 structures by 0.00 A. Peak 1779 from cnoeabs.peaks (1.98, 3.91, 50.04 ppm; 3.71 A): 1 out of 2 assignments used, quality = 1.00: * HG2 PRO 32 + HD2 PRO 32 OK 100 100 100 100 2.3-2.7 2.3=100 HD3 LYS 22 - HD2 PRO 32 far 0 81 0 - 9.5-13.4 Violated in 0 structures by 0.00 A. Peak 1780 from cnoeabs.peaks (2.10, 3.91, 50.04 ppm; 3.53 A): 1 out of 2 assignments used, quality = 1.00: * HG3 PRO 32 + HD2 PRO 32 OK 100 100 100 100 2.3-3.0 2.3=100 HG3 GLU 45 - HD2 PRO 32 far 0 65 0 - 8.4-9.7 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HD3 PRO 32 + HD2 PRO 32 OK 100 100 100 100 1.8-1.8 1.8=100 HA ARG 34 - HD2 PRO 32 far 0 97 0 - 7.1-8.4 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.6-4.1 3.6=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.0-4.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1785 from cnoeabs.peaks (2.31, 3.80, 50.04 ppm; 4.12 A): 1 out of 5 assignments used, quality = 1.00: * HB3 PRO 32 + HD3 PRO 32 OK 100 100 100 100 3.0-3.9 3.0=100 HG2 GLU 33 - HD3 PRO 32 far 14 92 15 - 5.0-7.5 HB3 GLU 33 - HD3 PRO 32 far 10 98 10 - 5.6-7.4 HG3 GLN 26 - HD3 PRO 32 far 0 85 0 - 9.6-13.2 HG2 GLN 26 - HD3 PRO 32 far 0 83 0 - 10.0-13.3 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 2.3=100 Violated in 0 structures by 0.00 A. Peak 1787 from cnoeabs.peaks (2.10, 3.80, 50.04 ppm; 3.50 A): 1 out of 2 assignments used, quality = 1.00: * HG3 PRO 32 + HD3 PRO 32 OK 100 100 100 100 2.3-3.0 2.3=100 HG3 GLU 45 - HD3 PRO 32 far 0 65 0 - 8.5-9.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HB2 PRO 32 + HA PRO 32 OK 100 100 100 100 2.3-2.7 2.3=100 HD2 LYS 22 - HA PRO 32 far 0 76 0 - 10.0-12.8 Violated in 0 structures by 0.00 A. Peak 1792 from cnoeabs.peaks (2.31, 4.38, 65.82 ppm; 3.04 A): 1 out of 4 assignments used, quality = 1.00: * HB3 PRO 32 + HA PRO 32 OK 100 100 100 100 2.3-2.7 2.3=100 HG2 GLN 15 - HB2 SER 12 poor 16 67 55 44 3.1-5.5 ~3657=12, 3363/930=9...(7) HB3 GLU 33 - HA PRO 32 far 0 98 0 - 5.6-6.6 HG2 GLU 33 - HA PRO 32 far 0 92 0 - 5.8-7.5 Violated in 0 structures by 0.00 A. Peak 1793 from cnoeabs.peaks (1.98, 4.38, 65.82 ppm; 3.70 A): 2 out of 5 assignments used, quality = 0.99: * HG2 PRO 32 + HA PRO 32 OK 99 100 100 99 3.9-4.0 1811=89, 2.3/1795=72...(4) HB2 MET 11 + HB2 SER 12 OK 23 61 70 54 3.1-6.5 8/3.9=37, 4729/930=11...(8) HB2 GLU 18 - HB2 SER 12 far 0 63 0 - 7.1-9.0 HB3 GLU 18 - HB2 SER 12 far 0 63 0 - 8.6-10.7 HD3 LYS 22 - HA PRO 32 far 0 81 0 - 8.8-12.5 Violated in 15 structures by 0.12 A. Peak 1794 from cnoeabs.peaks (2.10, 4.38, 65.82 ppm; 4.31 A): 1 out of 3 assignments used, quality = 1.00: * HG3 PRO 32 + HA PRO 32 OK 100 100 100 100 3.9-4.0 3.8=100 HB VAL 16 - HB2 SER 12 poor 11 46 50 46 4.5-7.3 3.9/930=23, 4018/924=15...(4) HG3 GLU 45 - HA PRO 32 far 0 65 0 - 6.4-8.5 Violated in 0 structures by 0.00 A. Peak 1795 from cnoeabs.peaks (3.91, 4.38, 65.82 ppm; 3.42 A): 1 out of 1 assignment used, quality = 0.98: * HD2 PRO 32 + HA PRO 32 OK 98 100 100 98 3.6-4.1 3.6=86, 2.3/1811=54...(5) Violated in 20 structures by 0.65 A. Peak 1796 from cnoeabs.peaks (3.80, 4.38, 65.82 ppm; 4.60 A): 3 out of 4 assignments used, quality = 1.00: * HD3 PRO 32 + HA PRO 32 OK 100 100 100 100 3.6-4.1 3.6=100 HA GLN 15 + HB2 SER 12 OK 63 71 100 89 3.9-5.5 ~4803=36, ~3657=34...(8) HA THR 14 + HB2 SER 12 OK 35 64 70 78 5.2-7.2 ~4743=42, 3.0/11=37...(5) HA ARG 34 - HA PRO 32 far 0 97 0 - 6.4-6.9 Violated in 0 structures by 0.00 A. Peak 1797 from cnoeabs.peaks (4.38, 1.80, 30.88 ppm; 3.71 A): 1 out of 5 assignments used, quality = 1.00: * HA PRO 32 + HB2 PRO 32 OK 100 100 100 100 2.3-2.7 2.3=100 HA LEU 68 - HB2 ARG 61 far 0 35 0 - 6.0-21.1 HA LEU 64 - HB2 ARG 61 far 0 45 0 - 8.3-12.7 HA HIS 13 - HB2 ARG 61 far 0 45 0 - 9.2-26.8 HA ASN 54 - HB2 ARG 61 far 0 25 0 - 9.6-17.7 Violated in 0 structures by 0.00 A. Peak 1798 from cnoeabs.peaks (1.80, 1.80, 30.88 ppm; diagonal): 2 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 5 assignments used, quality = 1.00: * HB3 PRO 32 + HB2 PRO 32 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLU 33 - HB2 PRO 32 far 0 92 0 - 4.7-7.6 HB3 GLU 33 - HB2 PRO 32 far 0 98 0 - 5.8-6.6 HG2 GLU 67 - HB2 ARG 61 far 0 23 0 - 6.8-20.4 HG2 GLN 26 - HB2 ARG 61 far 0 33 0 - 9.7-22.7 Violated in 0 structures by 0.00 A. Peak 1800 from cnoeabs.peaks (1.98, 1.80, 30.88 ppm; 3.38 A): 1 out of 7 assignments used, quality = 1.00: * HG2 PRO 32 + HB2 PRO 32 OK 100 100 100 100 2.3-3.0 2.3=100 HB3 GLN 63 - HB2 ARG 61 far 2 38 5 - 4.7-9.8 HD3 ARG 55 - HB2 ARG 61 far 0 43 0 - 6.1-17.8 HB3 GLU 67 - HB2 ARG 61 far 0 30 0 - 7.3-19.5 HB3 ARG 21 - HB2 ARG 61 far 0 41 0 - 8.8-24.2 HD3 LYS 22 - HB2 PRO 32 far 0 81 0 - 9.3-13.9 HB2 ARG 21 - HB2 ARG 61 far 0 38 0 - 9.3-24.1 Violated in 0 structures by 0.00 A. Peak 1801 from cnoeabs.peaks (2.10, 1.80, 30.88 ppm; 3.64 A): 1 out of 5 assignments used, quality = 1.00: * HG3 PRO 32 + HB2 PRO 32 OK 100 100 100 100 2.3-3.0 2.3=100 HB2 GLN 63 - HB2 ARG 61 far 0 32 0 - 5.4-10.5 HB2 GLU 67 - HB2 ARG 61 far 0 41 0 - 5.6-19.3 HB VAL 16 - HB2 ARG 61 far 0 28 0 - 8.3-24.4 HG3 GLU 45 - HB2 PRO 32 far 0 65 0 - 8.6-10.5 Violated in 0 structures by 0.00 A. Peak 1802 from cnoeabs.peaks (3.91, 1.80, 30.88 ppm; 4.44 A): 1 out of 4 assignments used, quality = 1.00: * HD2 PRO 32 + HB2 PRO 32 OK 100 100 100 100 3.9-4.0 3.0=100 HB2 SER 65 - HB2 ARG 61 far 0 35 0 - 7.2-14.7 HA LYS 27 - HB2 ARG 61 far 0 43 0 - 7.5-17.2 HA GLN 53 - HB2 ARG 61 far 0 27 0 - 8.1-18.5 Violated in 0 structures by 0.00 A. Peak 1803 from cnoeabs.peaks (3.80, 1.80, 30.88 ppm; 4.81 A): 1 out of 2 assignments used, quality = 1.00: * HD3 PRO 32 + HB2 PRO 32 OK 100 100 100 100 3.0-4.0 3.0=100 HA ARG 34 - HB2 PRO 32 far 0 97 0 - 7.4-8.6 Violated in 0 structures by 0.00 A. Peak 1804 from cnoeabs.peaks (4.38, 2.31, 30.88 ppm; 3.38 A): 1 out of 2 assignments used, quality = 1.00: * HA PRO 32 + HB3 PRO 32 OK 100 100 100 100 2.3-2.7 2.3=100 HA PRO 32 - HB3 GLU 33 far 0 94 0 - 5.6-6.6 Violated in 0 structures by 0.00 A. Peak 1805 from cnoeabs.peaks (1.80, 2.31, 30.88 ppm; 2.77 A): 1 out of 4 assignments used, quality = 1.00: * HB2 PRO 32 + HB3 PRO 32 OK 100 100 100 100 1.8-1.8 1.8=100 HD2 LYS 22 - HB3 GLU 33 far 0 66 0 - 5.7-9.1 HB2 PRO 32 - HB3 GLU 33 far 0 94 0 - 5.8-6.6 HD2 LYS 22 - HB3 PRO 32 far 0 76 0 - 9.4-12.7 Violated in 0 structures by 0.00 A. 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 6 assignments used, quality = 1.00: * HG2 PRO 32 + HB3 PRO 32 OK 100 100 100 100 2.3-2.7 2.3=100 HG2 PRO 32 - HB3 GLU 33 poor 19 94 20 - 4.0-6.9 HD3 LYS 22 - HB3 GLU 33 far 0 71 0 - 5.3-9.3 HD3 LYS 22 - HB3 PRO 32 far 0 81 0 - 8.3-12.7 HB3 ARG 21 - HB3 GLU 33 far 0 87 0 - 9.6-12.8 HB2 ARG 21 - HB3 GLU 33 far 0 82 0 - 9.7-13.0 Violated in 0 structures by 0.00 A. Peak 1808 from cnoeabs.peaks (2.10, 2.31, 30.88 ppm; 3.56 A): 2 out of 4 assignments used, quality = 1.00: * HG3 PRO 32 + HB3 PRO 32 OK 100 100 100 100 2.3-3.0 2.3=100 HG3 PRO 32 + HB3 GLU 33 OK 60 94 75 86 3.5-6.1 130/4.0=33, 1820=27...(15) HG3 GLU 45 - HB3 GLU 33 far 0 57 0 - 7.8-9.6 HG3 GLU 45 - HB3 PRO 32 far 0 65 0 - 9.0-10.9 Violated in 0 structures by 0.00 A. Peak 1809 from cnoeabs.peaks (3.91, 2.31, 30.88 ppm; 4.79 A): 2 out of 3 assignments used, quality = 1.00: * HD2 PRO 32 + HB3 PRO 32 OK 100 100 100 100 3.0-4.0 3.0=100 HD2 PRO 32 + HB3 GLU 33 OK 88 94 95 99 4.0-7.4 131/4.0=61, 2.3/1808=36...(18) HA LYS 27 - HB3 GLU 33 far 0 89 0 - 9.7-11.1 Violated in 0 structures by 0.00 A. Peak 1810 from cnoeabs.peaks (3.80, 2.31, 30.88 ppm; 4.64 A): 3 out of 4 assignments used, quality = 1.00: * HD3 PRO 32 + HB3 PRO 32 OK 100 100 100 100 3.0-3.9 3.0=100 HA ARG 34 + HB3 GLU 33 OK 89 89 100 100 4.1-4.8 ~3455=52, 2.9/136=46...(16) HD3 PRO 32 + HB3 GLU 33 OK 78 94 85 97 5.6-7.4 3448/4.0=53, 1.8/1809=35...(17) HA ARG 34 - HB3 PRO 32 far 0 97 0 - 7.4-8.5 Violated in 0 structures by 0.00 A. Peak 1811 from cnoeabs.peaks (4.38, 1.98, 28.38 ppm; 3.84 A): 1 out of 1 assignment used, quality = 1.00: * HA PRO 32 + HG2 PRO 32 OK 100 100 100 100 3.9-4.0 3.8=99, 1795/2.3=76...(4) Violated in 20 structures by 0.15 A. Peak 1812 from cnoeabs.peaks (1.80, 1.98, 28.38 ppm; 3.16 A): 1 out of 2 assignments used, quality = 1.00: * HB2 PRO 32 + HG2 PRO 32 OK 100 100 100 100 2.3-3.0 2.3=100 HD2 LYS 22 - HG2 PRO 32 far 0 76 0 - 9.6-13.9 Violated in 0 structures by 0.00 A. Peak 1813 from cnoeabs.peaks (2.31, 1.98, 28.38 ppm; 3.33 A): 1 out of 5 assignments used, quality = 1.00: * HB3 PRO 32 + HG2 PRO 32 OK 100 100 100 100 2.3-2.7 2.3=100 HB3 GLU 33 - HG2 PRO 32 poor 20 98 20 - 4.0-6.9 HG2 GLU 33 - HG2 PRO 32 poor 19 92 30 70 3.7-6.7 1843/129=22, 1820/1.8=16...(11) HG3 GLN 26 - HG2 PRO 32 far 0 85 0 - 9.8-12.6 HG2 GLN 26 - HG2 PRO 32 far 0 83 0 - 9.8-13.2 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HG3 PRO 32 + HG2 PRO 32 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLU 45 - HG2 PRO 32 far 0 65 0 - 9.4-11.5 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-2.7 2.3=100 Violated in 0 structures by 0.00 A. Peak 1817 from cnoeabs.peaks (3.80, 1.98, 28.38 ppm; 3.61 A): 1 out of 2 assignments used, quality = 1.00: * HD3 PRO 32 + HG2 PRO 32 OK 100 100 100 100 2.3-3.0 2.3=100 HA ARG 34 - HG2 PRO 32 far 0 97 0 - 7.3-9.1 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.9-4.0 3.8=100 Violated in 0 structures by 0.00 A. Peak 1819 from cnoeabs.peaks (1.80, 2.10, 28.38 ppm; 3.23 A): 1 out of 2 assignments used, quality = 1.00: * HB2 PRO 32 + HG3 PRO 32 OK 100 100 100 100 2.3-3.0 2.3=100 HD2 LYS 22 - HG3 PRO 32 far 0 76 0 - 9.2-14.0 Violated in 0 structures by 0.00 A. Peak 1820 from cnoeabs.peaks (2.31, 2.10, 28.38 ppm; 3.31 A): 3 out of 5 assignments used, quality = 1.00: * HB3 PRO 32 + HG3 PRO 32 OK 100 100 100 100 2.3-3.0 2.3=100 HB3 GLU 33 + HG3 PRO 32 OK 55 98 70 80 3.5-6.1 1808=30, 4.0/130=28...(14) HG2 GLU 33 + HG3 PRO 32 OK 45 92 70 70 2.9-6.3 1843/130=24, 3.0/1808=18...(11) HG3 GLN 26 - HG3 PRO 32 far 0 85 0 - 9.3-12.8 HG2 GLN 26 - HG3 PRO 32 far 0 83 0 - 9.4-12.5 Violated in 0 structures by 0.00 A. Peak 1821 from cnoeabs.peaks (1.98, 2.10, 28.38 ppm; 2.40 A): 1 out of 2 assignments used, quality = 1.00: * HG2 PRO 32 + HG3 PRO 32 OK 100 100 100 100 1.8-1.8 1.8=100 HD3 LYS 22 - HG3 PRO 32 far 0 81 0 - 8.4-14.1 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 2.3=100 Violated in 0 structures by 0.00 A. Peak 1824 from cnoeabs.peaks (3.80, 2.10, 28.38 ppm; 3.59 A): 1 out of 2 assignments used, quality = 1.00: * HD3 PRO 32 + HG3 PRO 32 OK 100 100 100 100 2.3-3.0 2.3=100 HA ARG 34 - HG3 PRO 32 far 0 97 0 - 7.3-9.0 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.7-2.8 3.0=100 Violated in 0 structures by 0.00 A. 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 5 assignments used, quality = 1.00: * HB2 GLU 33 + HA GLU 33 OK 100 100 100 100 2.4-3.0 3.0=98, 3.0/1830=42...(20) HB2 LYS 42 - HA LYS 39 far 0 85 0 - 5.6-6.2 HB3 ARG 34 - HA GLU 33 far 0 73 0 - 5.6-5.8 HG LEU 41 - HA LYS 39 far 0 74 0 - 6.3-8.0 HG LEU 41 - HA GLU 33 far 0 90 0 - 9.5-11.3 Violated in 2 structures by 0.00 A. Peak 1828 from cnoeabs.peaks (2.32, 4.07, 58.90 ppm; 3.25 A): 3 out of 6 assignments used, quality = 1.00: * HB3 GLU 33 + HA GLU 33 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 GLU 33 + HA GLU 33 OK 99 99 100 99 2.3-3.8 1.8/1830=68, 1844=63...(16) HB3 PRO 32 + HA GLU 33 OK 81 98 90 92 3.9-5.5 1838=25, ~130=19...(18) HG2 GLN 26 - HA GLU 33 far 0 60 0 - 7.3-11.6 HG3 GLN 26 - HA GLU 33 far 0 63 0 - 7.9-10.6 HG2 GLN 15 - HA LYS 39 far 0 68 0 - 9.2-11.5 Violated in 0 structures by 0.00 A. Peak 1829 from cnoeabs.peaks (2.32, 4.07, 58.90 ppm; 3.25 A): 3 out of 4 assignments used, quality = 1.00: * HG2 GLU 33 + HA GLU 33 OK 99 100 100 99 2.3-3.8 1.8/1830=68, 1844=64...(16) HB3 GLU 33 + HA GLU 33 OK 99 99 100 100 2.4-3.0 3.0=100 HB3 PRO 32 + HA GLU 33 OK 76 92 90 92 3.9-5.5 1838=24, ~130=19...(18) HG2 GLN 15 - HA LYS 39 far 0 56 0 - 9.2-11.5 Violated in 0 structures by 0.00 A. Peak 1830 from cnoeabs.peaks (2.23, 4.07, 58.90 ppm; 3.33 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 33 + HA GLU 33 OK 100 100 100 100 2.4-3.3 1850=68, 1.8/1844=58...(17) Violated in 3 structures by 0.00 A. 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 100 100 100 100 2.6-3.6 4.0=100 Violated in 0 structures by 0.00 A. Peak 1832 from cnoeabs.peaks (4.07, 1.88, 30.88 ppm; 3.72 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 33 + HB2 GLU 33 OK 100 100 100 100 2.4-3.0 3.0=100 HA LEU 37 - HB2 GLU 33 far 0 96 0 - 6.9-8.2 Violated in 0 structures by 0.00 A. 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): 2 out of 5 assignments used, quality = 1.00: * HB3 GLU 33 + HB2 GLU 33 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLU 33 + HB2 GLU 33 OK 98 99 100 98 2.3-2.9 3.0=87, 1844/1827=31...(12) HG2 GLN 26 - HB2 GLU 33 far 0 60 0 - 5.0-9.2 HG3 GLN 26 - HB2 GLU 33 far 0 63 0 - 5.4-8.3 HB3 PRO 32 - HB2 GLU 33 far 0 98 0 - 5.8-6.6 Violated in 0 structures by 0.00 A. Peak 1835 from cnoeabs.peaks (2.32, 1.88, 30.88 ppm; 2.86 A): 2 out of 3 assignments used, quality = 1.00: HB3 GLU 33 + HB2 GLU 33 OK 99 99 100 100 1.8-1.8 1.8=100 * HG2 GLU 33 + HB2 GLU 33 OK 98 100 100 98 2.3-2.9 3.0=87, 1844/1827=32...(12) HB3 PRO 32 - HB2 GLU 33 far 0 92 0 - 5.8-6.6 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1837 from cnoeabs.peaks (7.21, 2.32, 30.88 ppm; 3.87 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 33 + HB3 GLU 33 OK 100 100 100 100 2.1-3.6 4.0=91, 1843/3.0=56...(21) H GLU 33 + HB3 PRO 32 OK 94 94 100 100 2.9-4.0 3.6=100 Violated in 0 structures by 0.00 A. Peak 1838 from cnoeabs.peaks (4.07, 2.32, 30.88 ppm; 4.06 A): 2 out of 4 assignments used, quality = 1.00: * HA GLU 33 + HB3 GLU 33 OK 100 100 100 100 2.4-3.0 3.0=100 HA GLU 33 + HB3 PRO 32 OK 93 94 100 99 3.9-5.5 ~130=32, ~3453=31...(18) HA LEU 37 - HB3 GLU 33 far 0 96 0 - 6.9-8.9 HA LEU 37 - HB3 PRO 32 far 0 87 0 - 9.4-10.7 Violated in 0 structures by 0.00 A. Peak 1839 from cnoeabs.peaks (1.88, 2.32, 30.88 ppm; 3.02 A): 2 out of 5 assignments used, quality = 1.00: * HB2 GLU 33 + HB3 GLU 33 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ARG 34 + HB3 GLU 33 OK 37 73 90 56 3.9-5.3 3.9/136=17, 4234/4310=10...(9) HB2 GLU 33 - HB3 PRO 32 far 0 94 0 - 5.8-6.6 HB3 ARG 34 - HB3 PRO 32 far 0 64 0 - 7.3-8.0 HB3 LYS 49 - HB3 GLU 33 far 0 100 0 - 9.5-12.5 Violated in 0 structures by 0.00 A. 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): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 33 + HB3 GLU 33 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 GLU 33 + HB3 PRO 32 OK 56 94 80 74 3.8-5.7 621/3.6=36, 1830/1838=18...(10) Violated in 0 structures by 0.00 A. Peak 1843 from cnoeabs.peaks (7.21, 2.32, 37.36 ppm; 4.00 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 33 + HG2 GLU 33 OK 100 100 100 100 2.3-4.1 621/1.8=75, 3.0/1844=64...(15) Violated in 2 structures by 0.01 A. Peak 1844 from cnoeabs.peaks (4.07, 2.32, 37.36 ppm; 3.78 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 33 + HG2 GLU 33 OK 100 100 100 100 2.3-3.8 1830/1.8=85, 4.0=83...(16) HA LEU 37 - HG2 GLU 33 far 0 96 0 - 8.6-9.9 Violated in 1 structures by 0.00 A. Peak 1845 from cnoeabs.peaks (1.88, 2.32, 37.36 ppm; 3.61 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLU 33 + HG2 GLU 33 OK 100 100 100 100 2.3-2.9 3.0=100 HB3 ARG 34 - HG2 GLU 33 far 0 73 0 - 5.7-7.0 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 1849 from cnoeabs.peaks (7.21, 2.23, 37.36 ppm; 4.13 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 33 + HG3 GLU 33 OK 100 100 100 100 1.9-4.1 621=100, 1843/1.8=79...(13) Violated in 0 structures by 0.00 A. Peak 1850 from cnoeabs.peaks (4.07, 2.23, 37.36 ppm; 3.79 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 33 + HG3 GLU 33 OK 100 100 100 100 2.4-3.3 1830=100, 1844/1.8=74...(17) HA LEU 37 - HG3 GLU 33 far 0 96 0 - 7.5-10.1 Violated in 0 structures by 0.00 A. Peak 1851 from cnoeabs.peaks (1.88, 2.23, 37.36 ppm; 3.63 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLU 33 + HG3 GLU 33 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 ARG 34 - HG3 GLU 33 far 0 73 0 - 5.9-6.7 Violated in 0 structures by 0.00 A. Peak 1852 from cnoeabs.peaks (2.32, 2.23, 37.36 ppm; 2.71 A): 3 out of 5 assignments used, quality = 1.00: HG2 GLU 33 + HG3 GLU 33 OK 99 99 100 100 1.8-1.8 1.8=100 * HB3 GLU 33 + HG3 GLU 33 OK 96 100 100 96 2.3-3.0 3.0=74, 3.0/1830=34...(12) HB3 PRO 32 + HG3 GLU 33 OK 26 98 45 59 3.8-5.7 3.6/621=22, 1842=18...(10) HG2 GLN 26 - HG3 GLU 33 far 0 60 0 - 5.9-9.7 HG3 GLN 26 - HG3 GLU 33 far 0 63 0 - 6.7-8.7 Violated in 0 structures by 0.00 A. Peak 1853 from cnoeabs.peaks (2.32, 2.23, 37.36 ppm; 2.71 A): 3 out of 3 assignments used, quality = 1.00: * HG2 GLU 33 + HG3 GLU 33 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLU 33 + HG3 GLU 33 OK 95 99 100 96 2.3-3.0 3.0=74, 3.0/1830=34...(12) HB3 PRO 32 + HG3 GLU 33 OK 24 92 45 59 3.8-5.7 3.6/621=22, 1842=18...(10) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.7-2.9 2.9=100 Violated in 0 structures by 0.00 A. 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 5 assignments used, quality = 1.00: * HB2 ARG 34 + HA ARG 34 OK 100 100 100 100 3.0-3.0 3.0=100 HD3 LYS 22 - HA ARG 34 far 12 78 15 - 4.1-7.6 HB3 LYS 39 - HA ARG 34 far 0 93 0 - 7.7-8.1 HB2 LYS 39 - HA ARG 34 far 0 90 0 - 9.4-9.8 HB2 ARG 21 - HA ARG 34 far 0 63 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 1858 from cnoeabs.peaks (1.86, 3.79, 59.87 ppm; 3.78 A): 2 out of 4 assignments used, quality = 1.00: * HB3 ARG 34 + HA ARG 34 OK 100 100 100 100 2.5-2.6 3.0=100 HB2 GLU 33 + HA ARG 34 OK 71 73 100 96 3.8-4.7 3455/2.9=33...(15) HG LEU 41 - HA ARG 34 far 0 99 0 - 6.7-8.8 HB3 LYS 49 - HA ARG 34 far 0 78 0 - 7.3-8.6 Violated in 0 structures by 0.00 A. Peak 1859 from cnoeabs.peaks (1.34, 3.79, 59.87 ppm; 4.10 A): 2 out of 2 assignments used, quality = 1.00: * HG2 ARG 34 + HA ARG 34 OK 100 100 100 100 2.8-3.3 4.0=100 QB ALA 38 + HA ARG 34 OK 98 100 100 99 4.1-5.0 1982/996=57, 4412=43...(15) Violated in 0 structures by 0.00 A. Peak 1860 from cnoeabs.peaks (1.59, 3.79, 59.87 ppm; 3.73 A): 2 out of 5 assignments used, quality = 1.00: * HG3 ARG 34 + HA ARG 34 OK 100 100 100 100 2.2-2.5 4.0=82, 3.0/1904=37...(20) HG LEU 37 + HA ARG 34 OK 55 68 85 94 4.0-5.4 3.0/3743=49, 3.0/3741=49...(11) QB ALA 31 - HA ARG 34 far 0 63 0 - 6.8-7.3 HG2 LYS 49 - HA ARG 34 far 0 92 0 - 8.0-11.2 HB3 LEU 43 - HA ARG 34 far 0 89 0 - 8.9-10.6 Violated in 0 structures by 0.00 A. Peak 1861 from cnoeabs.peaks (3.54, 3.79, 59.87 ppm; 5.08 A): 1 out of 2 assignments used, quality = 1.00: * HD2 ARG 34 + HA ARG 34 OK 100 100 100 100 3.9-4.8 1896=91, 1.8/1904=83...(7) HB3 PHE 52 - HA ARG 34 far 0 93 0 - 7.7-9.4 Violated in 0 structures by 0.00 A. Peak 1863 from cnoeabs.peaks (8.73, 1.94, 29.95 ppm; 3.61 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 34 + HB2 ARG 34 OK 100 100 100 100 2.6-3.0 624=100, 1871/1.8=69...(14) Violated in 0 structures by 0.00 A. Peak 1864 from cnoeabs.peaks (3.79, 1.94, 29.95 ppm; 3.85 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 34 + HB2 ARG 34 OK 100 100 100 100 3.0-3.0 3.0=100 HD3 PRO 32 - HB2 ARG 34 far 0 97 0 - 6.2-7.2 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * HB3 ARG 34 + HB2 ARG 34 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLU 33 - HB2 ARG 34 far 0 73 0 - 5.1-6.4 HB3 LYS 49 - HB2 ARG 34 far 0 78 0 - 6.4-8.1 HG LEU 41 - HB2 ARG 34 far 0 99 0 - 8.8-11.2 Violated in 0 structures by 0.00 A. Peak 1867 from cnoeabs.peaks (1.34, 1.94, 29.95 ppm; 4.32 A): 2 out of 2 assignments used, quality = 1.00: * HG2 ARG 34 + HB2 ARG 34 OK 100 100 100 100 2.3-2.5 3.0=100 QB ALA 38 + HB2 ARG 34 OK 98 100 100 98 4.2-5.0 4412/3.0=53, 1891/3.0=35...(14) Violated in 0 structures by 0.00 A. Peak 1868 from cnoeabs.peaks (1.59, 1.94, 29.95 ppm; 3.76 A): 2 out of 5 assignments used, quality = 1.00: * HG3 ARG 34 + HB2 ARG 34 OK 100 100 100 100 3.0-3.0 3.0=100 QB ALA 31 + HB2 ARG 34 OK 53 63 90 95 4.9-5.5 2.1/3722=72, ~3723=39...(7) HG LEU 37 - HB2 ARG 34 far 0 68 0 - 6.6-7.9 HG2 LYS 49 - HB2 ARG 34 far 0 92 0 - 7.4-10.2 HB3 LEU 43 - HB2 ARG 34 far 0 89 0 - 9.3-11.0 Violated in 0 structures by 0.00 A. Peak 1869 from cnoeabs.peaks (3.54, 1.94, 29.95 ppm; 4.89 A): 1 out of 2 assignments used, quality = 1.00: * HD2 ARG 34 + HB2 ARG 34 OK 100 100 100 100 2.5-3.9 3.6=100 HB3 PHE 52 - HB2 ARG 34 far 0 93 0 - 8.7-10.6 Violated in 0 structures by 0.00 A. Peak 1870 from cnoeabs.peaks (3.27, 1.94, 29.95 ppm; 4.17 A): 1 out of 2 assignments used, quality = 1.00: * HD3 ARG 34 + HB2 ARG 34 OK 100 100 100 100 2.3-3.8 3.6=100 HB2 PHE 52 - HB2 ARG 34 far 0 100 0 - 8.4-10.8 Violated in 0 structures by 0.00 A. Peak 1871 from cnoeabs.peaks (8.73, 1.86, 29.95 ppm; 3.76 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 34 + HB3 ARG 34 OK 100 100 100 100 2.2-2.5 3.9=90, 624/1.8=88...(16) Violated in 0 structures by 0.00 A. Peak 1872 from cnoeabs.peaks (3.79, 1.86, 29.95 ppm; 3.87 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 34 + HB3 ARG 34 OK 100 100 100 100 2.5-2.6 3.0=100 HD3 PRO 32 - HB3 ARG 34 far 0 97 0 - 6.0-7.3 Violated in 0 structures by 0.00 A. Peak 1873 from cnoeabs.peaks (1.94, 1.86, 29.95 ppm; 2.75 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ARG 34 + HB3 ARG 34 OK 100 100 100 100 1.8-1.8 1.8=100 HD3 LYS 22 - HB3 ARG 34 far 0 78 0 - 6.3-9.9 HB3 LYS 39 - HB3 ARG 34 far 0 93 0 - 9.1-9.8 Violated in 0 structures by 0.00 A. 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): 2 out of 2 assignments used, quality = 1.00: * HG2 ARG 34 + HB3 ARG 34 OK 100 100 100 100 3.0-3.0 3.0=100 QB ALA 38 + HB3 ARG 34 OK 73 100 75 97 5.2-6.1 4412/3.0=52, 1867/1.8=38...(12) Violated in 0 structures by 0.00 A. Peak 1876 from cnoeabs.peaks (1.59, 1.86, 29.95 ppm; 3.98 A): 2 out of 5 assignments used, quality = 1.00: * HG3 ARG 34 + HB3 ARG 34 OK 100 100 100 100 2.4-2.7 3.0=100 QB ALA 31 + HB3 ARG 34 OK 42 63 70 96 5.1-5.7 2.1/3723=62, ~3722=52...(8) HG LEU 37 - HB3 ARG 34 far 0 68 0 - 6.2-7.8 HG2 LYS 49 - HB3 ARG 34 far 0 92 0 - 6.8-10.0 HB3 LEU 43 - HB3 ARG 34 far 0 89 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 1877 from cnoeabs.peaks (3.54, 1.86, 29.95 ppm; 4.82 A): 1 out of 2 assignments used, quality = 1.00: * HD2 ARG 34 + HB3 ARG 34 OK 100 100 100 100 2.5-3.7 3.6=100 HB3 PHE 52 - HB3 ARG 34 far 0 93 0 - 7.4-9.4 Violated in 0 structures by 0.00 A. Peak 1878 from cnoeabs.peaks (3.27, 1.86, 29.95 ppm; 4.76 A): 1 out of 2 assignments used, quality = 1.00: * HD3 ARG 34 + HB3 ARG 34 OK 100 100 100 100 2.6-3.7 3.6=100 HB2 PHE 52 - HB3 ARG 34 far 0 100 0 - 7.3-9.5 Violated in 0 structures by 0.00 A. Peak 1880 from cnoeabs.peaks (3.79, 1.34, 28.15 ppm; 4.39 A): 1 out of 3 assignments used, quality = 1.00: * HA ARG 34 + HG2 ARG 34 OK 100 100 100 100 2.8-3.3 4.0=100 HD3 PRO 32 - HG2 ARG 34 far 0 97 0 - 8.5-9.5 HA ILE 50 - HG2 ARG 34 far 0 90 0 - 10.0-10.9 Violated in 0 structures by 0.00 A. Peak 1881 from cnoeabs.peaks (1.94, 1.34, 28.15 ppm; 4.12 A): 1 out of 6 assignments used, quality = 1.00: * HB2 ARG 34 + HG2 ARG 34 OK 100 100 100 100 2.3-2.5 3.0=100 HD3 LYS 22 - HG2 ARG 34 far 0 78 0 - 6.8-10.3 HB3 LYS 39 - HG2 ARG 34 far 0 93 0 - 7.5-8.5 HB2 LYS 39 - HG2 ARG 34 far 0 90 0 - 9.0-9.9 HD3 LYS 22 - HD3 LYS 27 far 0 37 0 - 9.2-13.9 HB ILE 50 - HG2 ARG 34 far 0 100 0 - 9.4-10.7 Violated in 0 structures by 0.00 A. Peak 1882 from cnoeabs.peaks (1.86, 1.34, 28.15 ppm; 4.37 A): 2 out of 5 assignments used, quality = 1.00: * HB3 ARG 34 + HG2 ARG 34 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 LYS 49 + HG2 ARG 34 OK 46 78 65 90 5.2-6.3 4593/3.0=34, 4592/3.0=31...(8) HB2 LYS 60 - HD3 LYS 27 far 3 34 10 - 3.5-15.3 HB2 GLU 33 - HG2 ARG 34 far 0 73 0 - 6.4-7.7 HG LEU 41 - HG2 ARG 34 far 0 99 0 - 7.1-9.7 Violated in 0 structures by 0.00 A. 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): 2 out of 9 assignments used, quality = 1.00: * HG3 ARG 34 + HG2 ARG 34 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 27 + HD3 LYS 27 OK 27 31 100 88 3.4-3.9 3.8=56, 3.0/1603=25...(7) HG3 ARG 61 - HD3 LYS 27 far 3 52 5 - 4.4-14.8 HG LEU 37 - HG2 ARG 34 far 0 68 0 - 5.0-7.0 HG2 ARG 61 - HD3 LYS 27 far 0 51 0 - 5.3-16.5 HG2 LYS 49 - HG2 ARG 34 far 0 92 0 - 6.0-9.0 QB ALA 31 - HG2 ARG 34 far 0 63 0 - 6.6-7.3 HB3 LEU 43 - HG2 ARG 34 far 0 89 0 - 7.1-8.7 HG LEU 68 - HD3 LYS 27 far 0 27 0 - 9.5-27.1 Violated in 0 structures by 0.00 A. Peak 1885 from cnoeabs.peaks (3.54, 1.34, 28.15 ppm; 4.13 A): 1 out of 3 assignments used, quality = 1.00: * HD2 ARG 34 + HG2 ARG 34 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 PHE 52 - HD3 LYS 27 far 7 47 15 - 5.1-8.9 HB3 PHE 52 - HG2 ARG 34 far 0 93 0 - 7.3-9.2 Violated in 0 structures by 0.00 A. Peak 1886 from cnoeabs.peaks (3.27, 1.34, 28.15 ppm; 4.09 A): 1 out of 4 assignments used, quality = 1.00: * HD3 ARG 34 + HG2 ARG 34 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 PHE 52 - HD3 LYS 27 far 3 55 5 - 4.5-9.4 HB2 PHE 52 - HG2 ARG 34 far 0 100 0 - 7.2-9.5 HB3 TRP 51 - HG2 ARG 34 far 0 78 0 - 8.6-9.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 4.1-4.4 4.9=100 Violated in 0 structures by 0.00 A. Peak 1888 from cnoeabs.peaks (3.79, 1.59, 28.15 ppm; 4.19 A): 1 out of 3 assignments used, quality = 1.00: * HA ARG 34 + HG3 ARG 34 OK 100 100 100 100 2.2-2.5 4.0=100 HD3 PRO 32 - HG3 ARG 34 far 0 97 0 - 8.4-9.7 HA ILE 50 - HG3 ARG 34 far 0 90 0 - 9.4-10.4 Violated in 0 structures by 0.00 A. Peak 1889 from cnoeabs.peaks (1.94, 1.59, 28.15 ppm; 4.06 A): 1 out of 5 assignments used, quality = 1.00: * HB2 ARG 34 + HG3 ARG 34 OK 100 100 100 100 3.0-3.0 3.0=100 HD3 LYS 22 - HG3 ARG 34 far 0 78 0 - 5.9-9.2 HB3 LYS 39 - HG3 ARG 34 far 0 93 0 - 8.3-9.5 HB ILE 50 - HG3 ARG 34 far 0 100 0 - 9.0-10.6 HB2 LYS 39 - HG3 ARG 34 far 0 90 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 1890 from cnoeabs.peaks (1.86, 1.59, 28.15 ppm; 3.77 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ARG 34 + HG3 ARG 34 OK 100 100 100 100 2.4-2.7 3.0=100 HB3 LYS 49 - HG3 ARG 34 poor 20 78 25 - 4.9-6.4 HB2 GLU 33 - HG3 ARG 34 far 0 73 0 - 5.4-6.7 HG LEU 41 - HG3 ARG 34 far 0 99 0 - 7.0-9.5 Violated in 0 structures by 0.00 A. Peak 1891 from cnoeabs.peaks (1.34, 1.59, 28.15 ppm; 3.10 A): 2 out of 2 assignments used, quality = 1.00: * HG2 ARG 34 + HG3 ARG 34 OK 100 100 100 100 1.8-1.8 1.8=100 QB ALA 38 + HG3 ARG 34 OK 70 100 80 88 3.6-5.1 4410/4519=21...(18) Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HD2 ARG 34 + HG3 ARG 34 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 PHE 52 - HG3 ARG 34 far 0 93 0 - 6.1-7.9 Violated in 0 structures by 0.00 A. Peak 1894 from cnoeabs.peaks (3.27, 1.59, 28.15 ppm; 4.08 A): 1 out of 3 assignments used, quality = 1.00: * HD3 ARG 34 + HG3 ARG 34 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 PHE 52 - HG3 ARG 34 far 0 100 0 - 5.8-8.1 HB3 TRP 51 - HG3 ARG 34 far 0 78 0 - 8.2-9.3 Violated in 0 structures by 0.00 A. Peak 1896 from cnoeabs.peaks (3.79, 3.54, 43.10 ppm; 5.24 A): 1 out of 3 assignments used, quality = 1.00: * HA ARG 34 + HD2 ARG 34 OK 100 100 100 100 3.9-4.8 1861=100, 1904/1.8=87...(7) HA ILE 50 - HD2 ARG 34 far 0 90 0 - 8.0-10.7 HD3 PRO 32 - HD2 ARG 34 far 0 97 0 - 8.0-10.2 Violated in 0 structures by 0.00 A. Peak 1897 from cnoeabs.peaks (1.94, 3.54, 43.10 ppm; 4.27 A): 1 out of 4 assignments used, quality = 1.00: * HB2 ARG 34 + HD2 ARG 34 OK 100 100 100 100 2.5-3.9 3.6=100 HB ILE 50 - HD2 ARG 34 far 0 100 0 - 8.0-11.3 HD3 LYS 22 - HD2 ARG 34 far 0 78 0 - 8.1-11.1 HB3 LYS 39 - HD2 ARG 34 far 0 93 0 - 9.3-10.9 Violated in 0 structures by 0.00 A. Peak 1898 from cnoeabs.peaks (1.86, 3.54, 43.10 ppm; 4.21 A): 2 out of 4 assignments used, quality = 1.00: * HB3 ARG 34 + HD2 ARG 34 OK 100 100 100 100 2.5-3.7 3.6=100 HB3 LYS 49 + HD2 ARG 34 OK 73 78 95 98 3.0-5.9 3.0/4340=54, 4592=45...(9) HB2 GLU 33 - HD2 ARG 34 far 0 73 0 - 6.3-8.5 HG LEU 41 - HD2 ARG 34 far 0 99 0 - 8.9-11.9 Violated in 0 structures by 0.00 A. Peak 1899 from cnoeabs.peaks (1.34, 3.54, 43.10 ppm; 3.85 A): 2 out of 2 assignments used, quality = 1.00: * HG2 ARG 34 + HD2 ARG 34 OK 100 100 100 100 2.2-3.0 3.0=100 QB ALA 38 + HD2 ARG 34 OK 40 100 45 88 4.3-6.4 1891/3.0=29, 1907/1.8=28...(13) Violated in 0 structures by 0.00 A. Peak 1900 from cnoeabs.peaks (1.59, 3.54, 43.10 ppm; 3.79 A): 1 out of 6 assignments used, quality = 1.00: * HG3 ARG 34 + HD2 ARG 34 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 49 - HD2 ARG 34 poor 18 92 20 - 4.5-7.5 QB ALA 31 - HD2 ARG 34 far 0 63 0 - 5.8-7.6 HG LEU 37 - HD2 ARG 34 far 0 68 0 - 7.1-8.2 HB3 LEU 43 - HD2 ARG 34 far 0 89 0 - 8.4-10.8 HB3 LYS 27 - HD2 ARG 34 far 0 68 0 - 9.7-12.7 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HD3 ARG 34 + HD2 ARG 34 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 PHE 52 - HD2 ARG 34 far 0 100 0 - 5.5-9.3 HB3 TRP 51 - HD2 ARG 34 far 0 78 0 - 7.9-10.7 Violated in 0 structures by 0.00 A. Peak 1904 from cnoeabs.peaks (3.79, 3.27, 43.10 ppm; 4.98 A): 1 out of 3 assignments used, quality = 1.00: * HA ARG 34 + HD3 ARG 34 OK 100 100 100 100 4.2-4.8 5.3=82, 1861/1.8=78...(7) HA ILE 50 - HD3 ARG 34 far 0 90 0 - 8.0-9.9 HD3 PRO 32 - HD3 ARG 34 far 0 97 0 - 8.2-10.5 Violated in 0 structures by 0.00 A. Peak 1905 from cnoeabs.peaks (1.94, 3.27, 43.10 ppm; 3.96 A): 1 out of 4 assignments used, quality = 1.00: * HB2 ARG 34 + HD3 ARG 34 OK 100 100 100 100 2.3-3.8 3.6=100 HB ILE 50 - HD3 ARG 34 far 0 100 0 - 7.9-10.1 HD3 LYS 22 - HD3 ARG 34 far 0 78 0 - 8.3-11.7 HB3 LYS 39 - HD3 ARG 34 far 0 93 0 - 9.0-10.9 Violated in 0 structures by 0.00 A. Peak 1906 from cnoeabs.peaks (1.86, 3.27, 43.10 ppm; 3.93 A): 2 out of 4 assignments used, quality = 1.00: * HB3 ARG 34 + HD3 ARG 34 OK 100 100 100 100 2.6-3.7 3.6=100 HB3 LYS 49 + HD3 ARG 34 OK 76 78 100 97 2.9-4.8 3.0/4342=48, 4593=43...(9) HB2 GLU 33 - HD3 ARG 34 far 0 73 0 - 6.9-8.8 HG LEU 41 - HD3 ARG 34 far 0 99 0 - 8.5-11.7 Violated in 0 structures by 0.00 A. Peak 1907 from cnoeabs.peaks (1.34, 3.27, 43.10 ppm; 3.75 A): 2 out of 2 assignments used, quality = 1.00: * HG2 ARG 34 + HD3 ARG 34 OK 100 100 100 100 2.3-3.0 3.0=100 QB ALA 38 + HD3 ARG 34 OK 58 100 65 89 4.4-5.9 4409/4336=30...(13) Violated in 0 structures by 0.00 A. Peak 1908 from cnoeabs.peaks (1.59, 3.27, 43.10 ppm; 3.66 A): 1 out of 6 assignments used, quality = 1.00: * HG3 ARG 34 + HD3 ARG 34 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 LYS 49 - HD3 ARG 34 far 14 92 15 - 3.8-7.7 QB ALA 31 - HD3 ARG 34 far 0 63 0 - 5.7-7.8 HG LEU 37 - HD3 ARG 34 far 0 68 0 - 6.7-8.8 HB3 LEU 43 - HD3 ARG 34 far 0 89 0 - 7.6-10.4 HB3 LYS 27 - HD3 ARG 34 far 0 68 0 - 9.3-12.5 Violated in 0 structures by 0.00 A. Peak 1909 from cnoeabs.peaks (3.54, 3.27, 43.10 ppm; 2.85 A): 1 out of 2 assignments used, quality = 1.00: * HD2 ARG 34 + HD3 ARG 34 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 PHE 52 - HD3 ARG 34 far 0 93 0 - 5.9-8.8 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * H ALA 35 + HA ALA 35 OK 100 100 100 100 2.8-2.8 3.0=100 H THR 46 - HA ALA 35 far 0 98 0 - 6.6-8.8 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * QB ALA 35 + HA ALA 35 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LEU 29 - HA ALA 35 far 0 71 0 - 7.1-8.2 HG LEU 43 - HA ALA 35 far 0 92 0 - 9.2-10.5 Violated in 0 structures by 0.00 A. Peak 1914 from cnoeabs.peaks (8.15, 1.49, 17.89 ppm; 2.78 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 35 + QB ALA 35 OK 100 100 100 100 2.0-2.2 632=100, 147/149=36...(12) H THR 46 - QB ALA 35 far 0 98 0 - 6.9-8.9 Violated in 0 structures by 0.00 A. Peak 1915 from cnoeabs.peaks (3.98, 1.49, 17.89 ppm; 2.76 A): 1 out of 3 assignments used, quality = 1.00: * HA ALA 35 + QB ALA 35 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 SER 30 - QB ALA 35 far 0 60 0 - 6.6-8.5 HA LYS 42 - QB ALA 35 far 0 100 0 - 8.5-9.1 Violated in 0 structures by 0.00 A. 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): 2 out of 2 assignments used, quality = 1.00: * H HIS 36 + HA HIS 36 OK 100 100 100 100 2.7-2.8 3.0=100 H ASN 40 + HA HIS 36 OK 56 63 100 89 4.2-4.5 4.7/1000=34, 5.0/4368=31...(10) Violated in 0 structures by 0.00 A. 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: * HB2 HIS 36 + HA HIS 36 OK 100 100 100 100 2.7-3.0 3.0=100 HB3 HIS 36 + HA HIS 36 OK 100 100 100 100 2.7-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1920 from cnoeabs.peaks (3.19, 4.32, 59.41 ppm; 3.15 A): 2 out of 2 assignments used, quality = 1.00: HB2 HIS 36 + HA HIS 36 OK 100 100 100 100 2.7-3.0 3.0=100 * HB3 HIS 36 + HA HIS 36 OK 100 100 100 100 2.7-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-4.5 4.8=100 Violated in 0 structures by 0.00 A. Peak 1922 from cnoeabs.peaks (7.99, 3.19, 30.63 ppm; 3.04 A): 2 out of 6 assignments used, quality = 0.99: * H HIS 36 + HB2 HIS 36 OK 89 100 100 89 2.1-2.2 635=51, 636/1.8=38...(9) H HIS 36 + HB3 HIS 36 OK 87 100 100 87 3.0-3.5 635=49, 635/1.8=40...(9) H ASN 40 - HB3 HIS 36 far 0 63 0 - 5.3-5.8 H ASN 40 - HB2 HIS 36 far 0 63 0 - 6.1-6.6 H ILE 17 - HB2 HIS 10 far 0 60 0 - 8.4-13.4 H LEU 19 - HB2 HIS 10 far 0 79 0 - 9.9-13.9 Violated in 0 structures by 0.00 A. Peak 1923 from cnoeabs.peaks (4.32, 3.19, 30.63 ppm; 3.27 A): 2 out of 6 assignments used, quality = 1.00: * HA HIS 36 + HB2 HIS 36 OK 100 100 100 100 2.7-3.0 3.0=100 HA HIS 36 + HB3 HIS 36 OK 100 100 100 100 2.7-3.0 3.0=100 HA GLU 67 - HB2 HIS 10 far 0 80 0 - 8.9-36.6 HA LEU 41 - HB3 HIS 36 far 0 76 0 - 9.7-10.2 HA GLN 63 - HB2 HIS 10 far 0 80 0 - 9.8-31.6 HA LEU 41 - HB2 HIS 10 far 0 54 0 - 10.0-14.5 Violated in 0 structures by 0.00 A. 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 + HB2 HIS 36 OK 100 100 100 100 2.7-4.0 4.0=100 HD2 HIS 36 + HB3 HIS 36 OK 100 100 100 100 2.7-4.0 4.0=100 HD2 HIS 10 + HB2 HIS 10 OK 64 64 100 100 2.8-4.0 3.9=100 Violated in 0 structures by 0.00 A. Peak 1927 from cnoeabs.peaks (7.99, 3.19, 30.63 ppm; 3.04 A): 2 out of 6 assignments used, quality = 0.99: H HIS 36 + HB2 HIS 36 OK 89 100 100 89 2.1-2.2 636=51, 636/1.8=38...(9) * H HIS 36 + HB3 HIS 36 OK 87 100 100 87 3.0-3.5 636=49, 635/1.8=40...(9) H ASN 40 - HB3 HIS 36 far 0 63 0 - 5.3-5.8 H ASN 40 - HB2 HIS 36 far 0 63 0 - 6.1-6.6 H ILE 17 - HB2 HIS 10 far 0 63 0 - 8.4-13.4 H LEU 19 - HB2 HIS 10 far 0 82 0 - 9.9-13.9 Violated in 0 structures by 0.00 A. Peak 1928 from cnoeabs.peaks (4.32, 3.19, 30.63 ppm; 3.27 A): 2 out of 6 assignments used, quality = 1.00: HA HIS 36 + HB2 HIS 36 OK 100 100 100 100 2.7-3.0 3.0=100 * HA HIS 36 + HB3 HIS 36 OK 100 100 100 100 2.7-3.0 3.0=100 HA GLU 67 - HB2 HIS 10 far 0 83 0 - 8.9-36.6 HA LEU 41 - HB3 HIS 36 far 0 76 0 - 9.7-10.2 HA GLN 63 - HB2 HIS 10 far 0 83 0 - 9.8-31.6 HA LEU 41 - HB2 HIS 10 far 0 57 0 - 10.0-14.5 Violated in 0 structures by 0.00 A. 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 + HB2 HIS 36 OK 100 100 100 100 2.7-4.0 4.0=100 * HD2 HIS 36 + HB3 HIS 36 OK 100 100 100 100 2.7-4.0 4.0=100 HD2 HIS 10 + HB2 HIS 10 OK 67 67 100 100 2.8-4.0 3.9=100 Violated in 0 structures by 0.00 A. Peak 1934 from cnoeabs.peaks (3.19, 7.05, 119.84 ppm; 4.50 A): 3 out of 4 assignments used, quality = 1.00: * HB2 HIS 36 + HD2 HIS 36 OK 98 98 100 100 2.7-4.0 4.0=100 HB3 HIS 36 + HD2 HIS 36 OK 98 98 100 100 2.7-4.0 4.0=100 HB2 HIS 10 + HD2 HIS 10 OK 41 41 100 100 2.8-4.0 3.9=100 HB2 HIS 13 - HD2 HIS 10 far 0 28 0 - 7.3-14.8 Violated in 0 structures by 0.00 A. Peak 1935 from cnoeabs.peaks (3.19, 7.05, 119.84 ppm; 4.50 A): 3 out of 4 assignments used, quality = 1.00: HB2 HIS 36 + HD2 HIS 36 OK 98 98 100 100 2.7-4.0 4.0=100 * HB3 HIS 36 + HD2 HIS 36 OK 98 98 100 100 2.7-4.0 4.0=100 HB2 HIS 10 + HD2 HIS 10 OK 41 41 100 100 2.8-4.0 3.9=100 HB2 HIS 13 - HD2 HIS 10 far 0 29 0 - 7.3-14.8 Violated in 0 structures by 0.00 A. Peak 1936 from cnoeabs.peaks (7.05, 7.05, 119.84 ppm; diagonal): 2 out of 2 assignments used, quality = 0.99: * 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): 2 out of 2 assignments used, quality = 1.00: * H LEU 37 + HA LEU 37 OK 100 100 100 100 2.8-2.9 3.0=100 H LEU 41 + HA LEU 37 OK 93 97 100 95 4.0-4.3 3491/3762=38...(12) Violated in 0 structures by 0.00 A. 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): 2 out of 3 assignments used, quality = 1.00: * HB2 LEU 37 + HA LEU 37 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 22 + HA LEU 37 OK 28 93 35 85 3.9-7.7 1967/1942=24...(16) HD3 LYS 42 - HA LEU 37 far 0 100 0 - 8.1-10.1 Violated in 0 structures by 0.00 A. Peak 1940 from cnoeabs.peaks (1.73, 4.06, 57.84 ppm; 3.53 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LEU 37 + HA LEU 37 OK 100 100 100 100 2.7-3.0 3.0=100 HG2 LYS 22 + HA LEU 37 OK 35 87 45 89 3.4-7.1 4152/3.8=28, 1947/3.0=27...(16) HD2 LYS 42 - HA LEU 37 far 0 96 0 - 8.3-10.6 Violated in 0 structures by 0.00 A. Peak 1941 from cnoeabs.peaks (1.56, 4.06, 57.84 ppm; 3.83 A): 2 out of 3 assignments used, quality = 1.00: * HG LEU 37 + HA LEU 37 OK 100 100 100 100 3.1-3.7 2.1/1973=88, 2.1/1942=77...(21) HG3 LYS 39 + HA LEU 37 OK 62 92 90 75 4.5-5.5 5.0/3758=35, 653/3757=29...(5) HG3 ARG 34 - HA LEU 37 far 0 68 0 - 6.7-7.6 Violated in 0 structures by 0.00 A. Peak 1942 from cnoeabs.peaks (0.92, 4.06, 57.84 ppm; 3.49 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 37 + HA LEU 37 OK 100 100 100 100 1.9-3.9 2.1/1973=79, 3.8=75...(20) Violated in 14 structures by 0.24 A. Peak 1943 from cnoeabs.peaks (0.96, 4.06, 57.84 ppm; 3.00 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 37 + HA LEU 37 OK 100 100 100 100 1.9-3.2 1973=100, 2.1/1942=50...(26) QG2 VAL 48 - HA LEU 37 far 0 96 0 - 4.6-5.8 Violated in 4 structures by 0.03 A. Peak 1944 from cnoeabs.peaks (8.07, 1.66, 42.65 ppm; 3.39 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 37 + HB2 LEU 37 OK 100 100 100 100 2.1-3.4 640=89, 641/1.8=81...(15) H LEU 41 - HB2 LEU 37 far 5 97 5 - 4.8-6.2 H ARG 55 - HB2 LEU 64 far 0 78 0 - 8.1-24.7 H GLN 47 - HB2 LEU 37 far 0 92 0 - 8.3-11.7 Violated in 1 structures by 0.00 A. Peak 1945 from cnoeabs.peaks (4.06, 1.66, 42.65 ppm; 3.48 A): 1 out of 6 assignments used, quality = 1.00: * HA LEU 37 + HB2 LEU 37 OK 100 100 100 100 2.3-3.0 3.0=100 HA GLU 33 - HB2 LEU 37 far 0 95 0 - 5.2-7.7 HA ARG 56 - HB2 LEU 64 far 0 59 0 - 7.2-20.3 HA LYS 39 - HB2 LEU 37 far 0 76 0 - 7.4-8.6 HA ARG 21 - HB2 LEU 37 far 0 96 0 - 9.0-10.5 HA ARG 21 - HB2 LEU 64 far 0 74 0 - 9.7-30.1 Violated in 0 structures by 0.00 A. 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): 2 out of 5 assignments used, quality = 1.00: * HB3 LEU 37 + HB2 LEU 37 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 LYS 22 + HB2 LEU 37 OK 67 87 80 96 2.0-6.4 1439=29, 4152/3.1=18...(33) HB2 ARG 56 - HB2 LEU 64 far 0 75 0 - 4.8-20.9 HB3 LYS 58 - HB2 LEU 64 far 0 81 0 - 8.0-20.2 HB3 ARG 61 - HB2 LEU 64 far 0 80 0 - 8.5-12.2 Violated in 0 structures by 0.00 A. Peak 1948 from cnoeabs.peaks (1.56, 1.66, 42.65 ppm; 3.26 A): 1 out of 6 assignments used, quality = 1.00: * HG LEU 37 + HB2 LEU 37 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 ARG 34 - HB2 LEU 37 far 7 68 10 - 4.4-6.1 HG3 LYS 39 - HB2 LEU 37 far 0 92 0 - 6.2-7.6 HD2 LYS 58 - HB2 LEU 64 far 0 61 0 - 6.7-21.1 HD3 LYS 58 - HB2 LEU 64 far 0 61 0 - 7.5-21.7 QB ALA 31 - HB2 LEU 37 far 0 100 0 - 9.1-10.3 Violated in 0 structures by 0.00 A. Peak 1949 from cnoeabs.peaks (0.92, 1.66, 42.65 ppm; 3.11 A): 2 out of 3 assignments used, quality = 1.00: * QD2 LEU 37 + HB2 LEU 37 OK 100 100 100 100 2.1-3.2 3.1=98, 1942/3.0=43...(21) QD1 LEU 64 + HB2 LEU 64 OK 73 74 100 99 2.1-3.2 3.1=97, 2.1/3211=18...(16) QG2 ILE 50 - HB2 LEU 64 far 0 81 0 - 8.2-25.0 Violated in 0 structures by 0.00 A. Peak 1950 from cnoeabs.peaks (0.96, 1.66, 42.65 ppm; 3.48 A): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 37 + HB2 LEU 37 OK 100 100 100 100 2.3-3.2 3.1=100 QG2 VAL 48 + HB2 LEU 37 OK 64 97 80 82 2.6-5.4 1957/1.8=33, 1964/3.0=26...(10) Violated in 0 structures by 0.00 A. Peak 1951 from cnoeabs.peaks (8.07, 1.73, 42.65 ppm; 3.42 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 37 + HB3 LEU 37 OK 100 100 100 100 2.1-3.4 641=100, 640/1.8=73...(16) H LEU 41 - HB3 LEU 37 far 5 97 5 - 4.7-5.9 H GLN 47 - HB3 LEU 37 far 0 92 0 - 8.3-10.0 Violated in 1 structures by 0.00 A. Peak 1952 from cnoeabs.peaks (4.06, 1.73, 42.65 ppm; 3.54 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 37 + HB3 LEU 37 OK 100 100 100 100 2.7-3.0 3.0=100 HA GLU 33 - HB3 LEU 37 far 0 95 0 - 5.4-6.9 HA LYS 39 - HB3 LEU 37 far 0 76 0 - 7.3-7.7 Violated in 0 structures by 0.00 A. Peak 1953 from cnoeabs.peaks (1.66, 1.73, 42.65 ppm; 2.61 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LEU 37 + HB3 LEU 37 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 LYS 22 + HB3 LEU 37 OK 35 93 40 93 3.2-6.9 1967/3.1=17, 1448=16...(32) HD3 LYS 42 - HB3 LEU 37 far 0 100 0 - 9.8-11.5 Violated in 0 structures by 0.00 A. 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): 2 out of 5 assignments used, quality = 1.00: * HG LEU 37 + HB3 LEU 37 OK 100 100 100 100 2.4-2.5 3.0=100 HG3 ARG 34 + HB3 LEU 37 OK 34 68 95 52 3.7-5.0 4.0/3743=29...(6) HG3 LYS 39 - HB3 LEU 37 far 0 92 0 - 6.2-7.5 QB ALA 31 - HB3 LEU 37 far 0 100 0 - 8.8-10.4 HG2 LYS 49 - HB3 LEU 37 far 0 97 0 - 9.8-12.6 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-3.2 3.1=100 Violated in 0 structures by 0.00 A. Peak 1957 from cnoeabs.peaks (0.96, 1.73, 42.65 ppm; 3.48 A): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 37 + HB3 LEU 37 OK 100 100 100 100 2.1-3.2 3.1=100 QG2 VAL 48 + HB3 LEU 37 OK 84 97 100 87 2.6-4.0 1950/1.8=28, 1964/3.0=26...(14) Violated in 0 structures by 0.00 A. Peak 1958 from cnoeabs.peaks (8.07, 1.56, 26.77 ppm; 4.47 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 37 + HG LEU 37 OK 100 100 100 100 4.2-4.6 641/3.0=88, 643/2.1=85...(14) H LEU 41 + HG LEU 37 OK 65 97 70 96 4.4-6.8 670/4894=62, 1972/2.1=43...(8) H GLN 47 - HG LEU 37 far 0 92 0 - 8.1-10.9 Violated in 4 structures by 0.01 A. Peak 1959 from cnoeabs.peaks (4.06, 1.56, 26.77 ppm; 4.25 A): 1 out of 5 assignments used, quality = 1.00: * HA LEU 37 + HG LEU 37 OK 100 100 100 100 3.1-3.7 4.3=100 HA GLU 33 - HG LEU 37 far 0 95 0 - 6.2-8.8 HA LYS 39 - HG LEU 37 far 0 76 0 - 7.3-9.6 HA ARG 21 - HG LEU 37 far 0 96 0 - 8.1-10.5 HA SER 24 - HG LEU 37 far 0 85 0 - 9.9-12.8 Violated in 0 structures by 0.00 A. Peak 1960 from cnoeabs.peaks (1.66, 1.56, 26.77 ppm; 2.99 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LEU 37 + HG LEU 37 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 22 + HG LEU 37 OK 41 93 45 97 2.4-6.3 1967/2.1=32, 1974/2.1=25...(27) HD3 LYS 42 - HG LEU 37 far 0 100 0 - 8.8-13.1 Violated in 7 structures by 0.00 A. Peak 1961 from cnoeabs.peaks (1.73, 1.56, 26.77 ppm; 3.13 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LEU 37 + HG LEU 37 OK 100 100 100 100 2.4-2.5 3.0=100 HG2 LYS 22 + HG LEU 37 OK 60 87 70 98 2.3-6.3 4152/2.1=30, 1975/2.1=23...(27) HD2 LYS 42 - HG LEU 37 far 0 96 0 - 9.1-13.3 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 1964 from cnoeabs.peaks (0.96, 1.56, 26.77 ppm; 3.23 A): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 37 + HG LEU 37 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 VAL 48 + HG LEU 37 OK 80 97 100 83 2.2-4.5 2.1/4573=27, 1971/2.1=22...(16) Violated in 0 structures by 0.00 A. Peak 1965 from cnoeabs.peaks (8.07, 0.92, 27.31 ppm; 4.35 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 37 + QD2 LEU 37 OK 100 100 100 100 2.3-4.3 643=100, 641/3.1=83...(17) H LEU 41 + QD2 LEU 37 OK 63 97 70 92 3.8-6.0 1972/2.1=42...(10) H GLN 47 - QD2 LEU 37 far 0 92 0 - 7.6-10.4 H ARG 55 - QD2 LEU 37 far 0 99 0 - 9.1-12.5 Violated in 0 structures by 0.00 A. Peak 1966 from cnoeabs.peaks (4.06, 0.92, 27.31 ppm; 4.28 A): 1 out of 7 assignments used, quality = 1.00: * HA LEU 37 + QD2 LEU 37 OK 100 100 100 100 1.9-3.9 3.8=100 HA GLU 33 - QD2 LEU 37 far 9 95 10 - 3.6-6.9 HA ARG 21 - QD2 LEU 37 far 0 96 0 - 6.4-7.4 HA LYS 39 - QD2 LEU 37 far 0 76 0 - 7.0-8.3 HA SER 24 - QD2 LEU 37 far 0 85 0 - 8.1-9.3 HB THR 14 - QD2 LEU 37 far 0 93 0 - 9.1-12.0 HB THR 46 - QD2 LEU 37 far 0 100 0 - 9.9-12.7 Violated in 0 structures by 0.00 A. Peak 1967 from cnoeabs.peaks (1.66, 0.92, 27.31 ppm; 2.80 A): 2 out of 6 assignments used, quality = 1.00: * HB2 LEU 37 + QD2 LEU 37 OK 98 100 100 98 2.1-3.2 3.1=72, 3.0/1942=34...(21) HG3 LYS 22 + QD2 LEU 37 OK 91 93 100 98 1.9-3.5 1.8/4152=26, 1974/2.1=22...(30) HD3 LYS 42 - QD2 LEU 37 far 0 100 0 - 7.1-11.1 HG13 ILE 50 - QD2 LEU 37 far 0 63 0 - 9.6-12.6 HD2 LYS 62 - QD2 LEU 37 far 0 99 0 - 9.6-24.4 HD3 LYS 62 - QD2 LEU 37 far 0 100 0 - 9.8-23.0 Violated in 0 structures by 0.00 A. Peak 1968 from cnoeabs.peaks (1.73, 0.92, 27.31 ppm; 3.30 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LEU 37 + QD2 LEU 37 OK 100 100 100 100 2.2-3.2 3.1=100 HG2 LYS 22 + QD2 LEU 37 OK 87 87 100 100 1.9-3.7 1.8/1967=40, 4152=34...(33) HD2 LYS 42 - QD2 LEU 37 far 0 96 0 - 7.7-11.2 HD2 LYS 49 - QD2 LEU 37 far 0 60 0 - 8.0-12.2 HB2 ARG 56 - QD2 LEU 37 far 0 97 0 - 9.5-14.5 Violated in 0 structures by 0.00 A. Peak 1969 from cnoeabs.peaks (1.56, 0.92, 27.31 ppm; 3.14 A): 2 out of 6 assignments used, quality = 1.00: * HG LEU 37 + QD2 LEU 37 OK 100 100 100 100 2.1-2.1 2.1=100 HG3 ARG 34 + QD2 LEU 37 OK 20 68 70 43 3.5-6.7 4.0/4384=15...(6) HG3 LYS 39 - QD2 LEU 37 far 0 92 0 - 5.5-8.2 HG2 LYS 49 - QD2 LEU 37 far 0 97 0 - 7.9-11.6 QB ALA 31 - QD2 LEU 37 far 0 100 0 - 8.0-10.1 HB3 LYS 27 - QD2 LEU 37 far 0 100 0 - 8.9-11.9 Violated in 0 structures by 0.00 A. 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): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 37 + QD2 LEU 37 OK 100 100 100 100 1.9-2.1 2.1=100 QG2 VAL 48 + QD2 LEU 37 OK 37 97 70 54 2.3-5.0 1964/2.1=15, 1957/3.1=10...(12) Violated in 0 structures by 0.00 A. Peak 1972 from cnoeabs.peaks (8.07, 0.96, 24.23 ppm; 3.78 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 37 + QD1 LEU 37 OK 100 100 100 100 3.9-4.2 3.0/1973=72, 641/3.1=68...(16) H LEU 41 + QD1 LEU 37 OK 96 97 100 99 3.1-4.3 668/4790=52, 670/4377=43...(15) H GLN 47 - QD1 LEU 37 far 0 92 0 - 6.5-10.1 H ARG 55 - QD1 LEU 37 far 0 99 0 - 9.3-12.5 Violated in 0 structures by 0.00 A. Peak 1973 from cnoeabs.peaks (4.06, 0.96, 24.23 ppm; 2.97 A): 1 out of 7 assignments used, quality = 1.00: * HA LEU 37 + QD1 LEU 37 OK 100 100 100 100 1.9-3.2 1943=97, 1942/2.1=49...(26) HA LYS 39 - QD1 LEU 37 far 0 76 0 - 6.1-7.3 HA ARG 21 - QD1 LEU 37 far 0 96 0 - 6.2-8.5 HA GLU 33 - QD1 LEU 37 far 0 95 0 - 6.3-7.4 HB THR 14 - QD1 LEU 37 far 0 93 0 - 8.0-10.9 HB THR 46 - QD1 LEU 37 far 0 100 0 - 8.9-12.4 HA SER 24 - QD1 LEU 37 far 0 85 0 - 9.0-10.1 Violated in 4 structures by 0.04 A. Peak 1974 from cnoeabs.peaks (1.66, 0.96, 24.23 ppm; 3.19 A): 2 out of 5 assignments used, quality = 1.00: * HB2 LEU 37 + QD1 LEU 37 OK 100 100 100 100 2.3-3.2 3.1=100 HG3 LYS 22 + QD1 LEU 37 OK 79 93 85 99 2.6-5.3 3.0/4815=40, 1967/2.1=36...(33) HD3 LYS 42 - QD1 LEU 37 far 0 100 0 - 6.8-9.7 HG13 ILE 50 - QD1 LEU 37 far 0 63 0 - 8.9-13.4 HD2 LYS 62 - QD1 LEU 37 far 0 99 0 - 9.9-24.4 Violated in 0 structures by 0.00 A. Peak 1975 from cnoeabs.peaks (1.73, 0.96, 24.23 ppm; 3.43 A): 2 out of 4 assignments used, quality = 1.00: * HB3 LEU 37 + QD1 LEU 37 OK 100 100 100 100 2.1-3.2 3.1=100 HG2 LYS 22 + QD1 LEU 37 OK 74 87 85 100 1.9-5.5 3.0/4815=47, 4152/2.1=38...(31) HD2 LYS 42 - QD1 LEU 37 far 0 96 0 - 7.3-9.8 HD2 LYS 49 - QD1 LEU 37 far 0 60 0 - 9.1-13.1 Violated in 0 structures by 0.00 A. Peak 1976 from cnoeabs.peaks (1.56, 0.96, 24.23 ppm; 3.16 A): 1 out of 5 assignments used, quality = 1.00: * HG LEU 37 + QD1 LEU 37 OK 100 100 100 100 2.1-2.1 2.1=100 HG3 ARG 34 - QD1 LEU 37 far 10 68 15 - 4.2-6.6 HG3 LYS 39 - QD1 LEU 37 far 0 92 0 - 5.7-6.4 QB ALA 31 - QD1 LEU 37 far 0 100 0 - 9.2-10.4 HG2 LYS 49 - QD1 LEU 37 far 0 97 0 - 9.2-12.6 Violated in 0 structures by 0.00 A. Peak 1977 from cnoeabs.peaks (0.92, 0.96, 24.23 ppm; 2.40 A): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 37 + QD1 LEU 37 OK 100 100 100 100 1.9-2.1 2.1=100 QG2 ILE 50 - QD1 LEU 37 far 0 100 0 - 8.0-11.3 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.7-2.8 2.9=100 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * QB ALA 38 + HA ALA 38 OK 100 100 100 100 2.1-2.1 2.1=100 HG2 ARG 34 - HA ALA 38 far 0 100 0 - 5.2-6.4 HG2 LYS 42 - HA ALA 38 far 0 97 0 - 6.8-8.9 HG3 LYS 42 - HA ALA 38 far 0 97 0 - 7.5-8.6 Violated in 0 structures by 0.00 A. Peak 1982 from cnoeabs.peaks (8.44, 1.34, 17.52 ppm; 2.92 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 38 + QB ALA 38 OK 100 100 100 100 2.0-2.2 2.9=99, 888/164=42...(13) Violated in 0 structures by 0.00 A. Peak 1983 from cnoeabs.peaks (3.61, 1.34, 17.52 ppm; 2.74 A): 2 out of 4 assignments used, quality = 1.00: * HA ALA 38 + QB ALA 38 OK 100 100 100 100 2.1-2.1 2.1=100 HA GLU 45 + QB ALA 38 OK 45 60 100 75 2.4-3.3 3.9/4410=23, 3.0/4397=21...(14) HA VAL 48 - QB ALA 38 far 0 90 0 - 4.8-5.6 HA LEU 19 - QB ALA 38 far 0 65 0 - 7.2-8.0 Violated in 0 structures by 0.00 A. 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 5 assignments used, quality = 1.00: * H LYS 39 + HA LYS 39 OK 100 100 100 100 2.8-2.8 3.0=100 HE22 GLN 26 - HA GLU 33 far 0 47 0 - 5.5-8.1 H LYS 39 - HA GLU 33 far 0 88 0 - 8.0-8.5 H VAL 48 - HA LYS 39 far 0 98 0 - 8.9-9.5 HE22 GLN 47 - HA LYS 39 far 0 99 0 - 9.9-12.5 Violated in 0 structures by 0.00 A. 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 5 assignments used, quality = 1.00: * HB2 LYS 39 + HA LYS 39 OK 98 100 100 98 2.2-2.3 3.0=80, 2.9/1990=34...(17) HB3 LYS 39 + HA LYS 39 OK 98 100 100 98 2.7-2.9 3.0=80, 2.9/1990=34...(17) HB2 ARG 34 - HA GLU 33 far 0 74 0 - 5.9-6.1 HB3 LYS 39 - HA GLU 33 far 0 87 0 - 8.3-8.8 HB2 ARG 34 - HA LYS 39 far 0 90 0 - 9.1-10.0 Violated in 0 structures by 0.00 A. Peak 1988 from cnoeabs.peaks (1.92, 4.08, 59.02 ppm; 2.78 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LYS 39 + HA LYS 39 OK 98 100 100 98 2.7-2.9 3.0=80, 2.9/1990=34...(17) HB2 LYS 39 + HA LYS 39 OK 98 100 100 98 2.2-2.3 3.0=80, 2.9/1990=34...(17) HB2 ARG 34 - HA GLU 33 far 0 77 0 - 5.9-6.1 HB3 LYS 39 - HA GLU 33 far 0 88 0 - 8.3-8.8 HB2 ARG 34 - HA LYS 39 far 0 93 0 - 9.1-10.0 Violated in 0 structures by 0.00 A. Peak 1989 from cnoeabs.peaks (1.43, 4.08, 59.02 ppm; 3.67 A): 1 out of 3 assignments used, quality = 1.00: * HG2 LYS 39 + HA LYS 39 OK 100 100 100 100 3.1-3.6 3.9=85, 1.8/1990=77...(31) HB3 LEU 41 - HA LYS 39 far 0 100 0 - 5.9-7.3 HG2 LYS 39 - HA GLU 33 far 0 88 0 - 9.5-11.1 Violated in 0 structures by 0.00 A. Peak 1990 from cnoeabs.peaks (1.54, 4.08, 59.02 ppm; 3.51 A): 1 out of 5 assignments used, quality = 1.00: * HG3 LYS 39 + HA LYS 39 OK 100 100 100 100 3.7-3.8 3.9=74, 1.8/1989=68...(29) HG LEU 37 - HA GLU 33 far 0 76 0 - 6.2-8.8 QB ALA 31 - HA GLU 33 far 0 79 0 - 6.4-6.6 HG LEU 37 - HA LYS 39 far 0 92 0 - 7.3-9.6 HG3 LYS 39 - HA GLU 33 far 0 88 0 - 7.8-9.4 Violated in 20 structures by 0.24 A. Peak 1991 from cnoeabs.peaks (1.69, 4.08, 59.02 ppm; 3.87 A): 2 out of 8 assignments used, quality = 1.00: * HD2 LYS 39 + HA LYS 39 OK 100 100 100 100 4.4-4.9 3.0/1990=65, 3.0/1989=62...(31) HD3 LYS 39 + HA LYS 39 OK 65 100 65 100 4.4-5.4 3.0/1990=65, 3.0/1989=62...(31) HD2 LYS 42 - HA LYS 39 poor 8 68 45 26 4.1-7.4 677/4466=25 HG2 LYS 22 - HA GLU 33 far 7 67 10 - 4.5-7.6 HG3 LYS 22 - HA GLU 33 far 0 74 0 - 5.4-8.6 HD3 LYS 39 - HA GLU 33 far 0 88 0 - 7.3-10.0 HD2 LYS 39 - HA GLU 33 far 0 88 0 - 7.6-11.1 HG2 LYS 22 - HA LYS 39 far 0 83 0 - 9.8-13.3 Violated in 20 structures by 0.40 A. Peak 1992 from cnoeabs.peaks (1.69, 4.08, 59.02 ppm; 3.87 A): 2 out of 8 assignments used, quality = 1.00: HD2 LYS 39 + HA LYS 39 OK 100 100 100 100 4.4-4.9 3.0/1990=65, 3.0/1989=62...(31) * HD3 LYS 39 + HA LYS 39 OK 65 100 65 100 4.4-5.4 3.0/1990=65, 3.0/1989=62...(31) HD2 LYS 42 - HA LYS 39 poor 8 68 45 26 4.1-7.4 677/4466=25 HG2 LYS 22 - HA GLU 33 far 7 67 10 - 4.5-7.6 HG3 LYS 22 - HA GLU 33 far 0 74 0 - 5.4-8.6 HD3 LYS 39 - HA GLU 33 far 0 88 0 - 7.3-10.0 HD2 LYS 39 - HA GLU 33 far 0 88 0 - 7.6-11.1 HG2 LYS 22 - HA LYS 39 far 0 83 0 - 9.8-13.3 Violated in 20 structures by 0.40 A. Peak 1995 from cnoeabs.peaks (7.67, 1.92, 32.12 ppm; 2.91 A): 2 out of 3 assignments used, quality = 1.00: H LYS 39 + HB3 LYS 39 OK 98 100 100 98 2.1-2.2 650=50, 650/1.8=37...(18) * H LYS 39 + HB2 LYS 39 OK 97 100 100 97 3.1-3.5 650=50, 651/1.8=38...(17) H VAL 48 - HB3 LYS 39 far 0 98 0 - 9.6-10.4 Violated in 0 structures by 0.00 A. Peak 1996 from cnoeabs.peaks (4.08, 1.92, 32.12 ppm; 3.04 A): 2 out of 5 assignments used, quality = 1.00: * HA LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.2-2.3 3.0=100 HA LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.7-2.9 3.0=100 HA LEU 37 - HB3 LYS 39 far 0 78 0 - 5.6-6.2 HA LEU 37 - HB2 LYS 39 far 0 78 0 - 7.1-7.4 HA GLU 33 - HB3 LYS 39 far 0 97 0 - 8.3-8.8 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * HG2 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.3-2.5 2.9=100 HG2 LYS 39 + HB3 LYS 39 OK 100 100 100 100 3.0-3.0 2.9=100 HB3 LEU 41 - HB3 LYS 39 far 0 100 0 - 7.4-9.0 HB3 LEU 41 - HB2 LYS 39 far 0 100 0 - 7.8-9.3 Violated in 0 structures by 0.00 A. Peak 2000 from cnoeabs.peaks (1.54, 1.92, 32.12 ppm; 3.44 A): 2 out of 5 assignments used, quality = 1.00: * HG3 LYS 39 + HB2 LYS 39 OK 100 100 100 100 3.0-3.0 2.9=100 HG3 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.4-2.6 2.9=100 HG LEU 37 - HB3 LYS 39 far 0 91 0 - 7.1-9.0 HG LEU 37 - HB2 LYS 39 far 0 92 0 - 8.4-10.3 QB ALA 31 - HB3 LYS 39 far 0 94 0 - 9.3-10.3 Violated in 0 structures by 0.00 A. Peak 2001 from cnoeabs.peaks (1.69, 1.92, 32.12 ppm; 3.37 A): 4 out of 8 assignments used, quality = 1.00: HD3 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.3-3.9 3.9=66, 2050/2.9=33...(45) * HD2 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.3-3.2 3.9=66, 2050/2.9=33...(45) HD3 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.6-3.4 3.9=66, 2050/2.9=33...(45) HD2 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.1-3.7 3.9=66, 2050/2.9=33...(45) HD2 LYS 42 - HB2 LYS 39 far 0 68 0 - 5.3-9.2 HD2 LYS 42 - HB3 LYS 39 far 0 68 0 - 6.4-9.8 HG2 LYS 22 - HB3 LYS 39 far 0 82 0 - 9.0-12.2 HG3 LYS 22 - HB3 LYS 39 far 0 90 0 - 9.4-12.3 Violated in 0 structures by 0.00 A. Peak 2002 from cnoeabs.peaks (1.69, 1.92, 32.12 ppm; 3.37 A): 4 out of 8 assignments used, quality = 1.00: * HD3 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.3-3.9 3.9=66, 2050/2.9=33...(45) HD2 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.3-3.2 3.9=66, 2050/2.9=33...(45) HD3 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.6-3.4 3.9=66, 2050/2.9=33...(45) HD2 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.1-3.7 3.9=66, 2050/2.9=33...(45) HD2 LYS 42 - HB2 LYS 39 far 0 68 0 - 5.3-9.2 HD2 LYS 42 - HB3 LYS 39 far 0 68 0 - 6.4-9.8 HG2 LYS 22 - HB3 LYS 39 far 0 82 0 - 9.0-12.2 HG3 LYS 22 - HB3 LYS 39 far 0 90 0 - 9.4-12.3 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.7-4.4 4.9=100 * HE2 LYS 39 + HB2 LYS 39 OK 100 100 100 100 4.0-4.7 4.9=100 HE2 LYS 39 + HB3 LYS 39 OK 100 100 100 100 3.2-4.7 4.9=100 HE3 LYS 39 + HB3 LYS 39 OK 100 100 100 100 3.4-4.6 4.9=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.7-4.4 4.9=100 HE2 LYS 39 + HB2 LYS 39 OK 100 100 100 100 4.0-4.7 4.9=100 HE2 LYS 39 + HB3 LYS 39 OK 100 100 100 100 3.2-4.7 4.9=100 HE3 LYS 39 + HB3 LYS 39 OK 100 100 100 100 3.4-4.6 4.9=100 Violated in 0 structures by 0.00 A. Peak 2005 from cnoeabs.peaks (7.67, 1.92, 32.12 ppm; 2.91 A): 2 out of 3 assignments used, quality = 1.00: * H LYS 39 + HB3 LYS 39 OK 98 100 100 98 2.1-2.2 651=50, 650/1.8=37...(18) H LYS 39 + HB2 LYS 39 OK 97 100 100 97 3.1-3.5 651=50, 651/1.8=38...(17) H VAL 48 - HB3 LYS 39 far 0 98 0 - 9.6-10.4 Violated in 0 structures by 0.00 A. Peak 2006 from cnoeabs.peaks (4.08, 1.92, 32.12 ppm; 3.04 A): 2 out of 5 assignments used, quality = 1.00: * HA LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.7-2.9 3.0=100 HA LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.2-2.3 3.0=100 HA LEU 37 - HB3 LYS 39 far 0 78 0 - 5.6-6.2 HA LEU 37 - HB2 LYS 39 far 0 78 0 - 7.1-7.4 HA GLU 33 - HB3 LYS 39 far 0 97 0 - 8.3-8.8 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * HG2 LYS 39 + HB3 LYS 39 OK 100 100 100 100 3.0-3.0 2.9=100 HG2 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.3-2.5 2.9=100 HB3 LEU 41 - HB3 LYS 39 far 0 100 0 - 7.4-9.0 HB3 LEU 41 - HB2 LYS 39 far 0 100 0 - 7.8-9.3 Violated in 0 structures by 0.00 A. Peak 2010 from cnoeabs.peaks (1.54, 1.92, 32.12 ppm; 3.44 A): 2 out of 5 assignments used, quality = 1.00: * HG3 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.4-2.6 2.9=100 HG3 LYS 39 + HB2 LYS 39 OK 100 100 100 100 3.0-3.0 2.9=100 HG LEU 37 - HB3 LYS 39 far 0 92 0 - 7.1-9.0 HG LEU 37 - HB2 LYS 39 far 0 91 0 - 8.4-10.3 QB ALA 31 - HB3 LYS 39 far 0 95 0 - 9.3-10.3 Violated in 0 structures by 0.00 A. Peak 2011 from cnoeabs.peaks (1.69, 1.92, 32.12 ppm; 3.37 A): 4 out of 8 assignments used, quality = 1.00: HD3 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.6-3.4 3.9=66, 2050/2.9=33...(45) * HD2 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.1-3.7 3.9=66, 2050/2.9=33...(45) HD3 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.3-3.9 3.9=66, 2050/2.9=33...(45) HD2 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.3-3.2 3.9=66, 2050/2.9=33...(45) HD2 LYS 42 - HB2 LYS 39 far 0 68 0 - 5.3-9.2 HD2 LYS 42 - HB3 LYS 39 far 0 68 0 - 6.4-9.8 HG2 LYS 22 - HB3 LYS 39 far 0 83 0 - 9.0-12.2 HG3 LYS 22 - HB3 LYS 39 far 0 90 0 - 9.4-12.3 Violated in 0 structures by 0.00 A. Peak 2012 from cnoeabs.peaks (1.69, 1.92, 32.12 ppm; 3.37 A): 4 out of 8 assignments used, quality = 1.00: * HD3 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.6-3.4 3.9=66, 2050/2.9=33...(45) HD2 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.1-3.7 3.9=66, 2050/2.9=33...(45) HD3 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.3-3.9 3.9=66, 2050/2.9=33...(45) HD2 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.3-3.2 3.9=66, 2050/2.9=33...(45) HD2 LYS 42 - HB2 LYS 39 far 0 68 0 - 5.3-9.2 HD2 LYS 42 - HB3 LYS 39 far 0 68 0 - 6.4-9.8 HG2 LYS 22 - HB3 LYS 39 far 0 83 0 - 9.0-12.2 HG3 LYS 22 - HB3 LYS 39 far 0 90 0 - 9.4-12.3 Violated in 0 structures by 0.00 A. Peak 2013 from cnoeabs.peaks (2.98, 1.92, 32.12 ppm; 4.93 A): 4 out of 4 assignments used, quality = 1.00: * HE2 LYS 39 + HB3 LYS 39 OK 100 100 100 100 3.2-4.7 4.9=100 HE3 LYS 39 + HB3 LYS 39 OK 100 100 100 100 3.4-4.6 4.9=100 HE3 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.7-4.4 4.9=100 HE2 LYS 39 + HB2 LYS 39 OK 100 100 100 100 4.0-4.7 4.9=100 Violated in 0 structures by 0.00 A. Peak 2014 from cnoeabs.peaks (2.98, 1.92, 32.12 ppm; 4.93 A): 4 out of 4 assignments used, quality = 1.00: HE2 LYS 39 + HB3 LYS 39 OK 100 100 100 100 3.2-4.7 4.9=100 * HE3 LYS 39 + HB3 LYS 39 OK 100 100 100 100 3.4-4.6 4.9=100 HE3 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.7-4.4 4.9=100 HE2 LYS 39 + HB2 LYS 39 OK 100 100 100 100 4.0-4.7 4.9=100 Violated in 0 structures by 0.00 A. Peak 2015 from cnoeabs.peaks (7.67, 1.43, 24.82 ppm; 4.30 A): 1 out of 5 assignments used, quality = 1.00: * H LYS 39 + HG2 LYS 39 OK 100 100 100 100 4.0-4.4 652=100, 653/1.8=88...(20) H LYS 58 - HG3 LYS 60 far 14 93 15 - 4.4-10.4 H LYS 58 - HG2 LYS 60 far 9 92 10 - 5.4-10.3 H LYS 58 - HG3 LYS 62 far 0 98 0 - 6.4-15.2 H LYS 58 - HG2 LYS 62 far 0 98 0 - 7.5-15.1 Violated in 2 structures by 0.01 A. Peak 2016 from cnoeabs.peaks (4.08, 1.43, 24.82 ppm; 3.89 A): 1 out of 18 assignments used, quality = 1.00: * HA LYS 39 + HG2 LYS 39 OK 100 100 100 100 3.1-3.6 3.9=100 HA LYS 58 - HG3 LYS 60 poor 15 60 25 - 4.4-10.4 HA ARG 56 - HG3 LYS 60 far 9 94 10 - 4.8-10.2 HA LYS 58 - HG2 LYS 60 far 9 59 15 - 3.8-9.7 HA SER 24 - HG3 LYS 62 far 5 98 5 - 5.3-21.4 HA ARG 56 - HG2 LYS 60 far 5 93 5 - 3.6-10.5 HA ARG 56 - HG3 LYS 62 far 0 99 0 - 5.8-14.9 HA LEU 37 - HG2 LYS 39 far 0 78 0 - 5.8-7.0 HA LYS 58 - HG3 LYS 62 far 0 65 0 - 5.9-15.5 HA ARG 21 - HG3 LYS 62 far 0 94 0 - 6.0-26.4 HA ARG 56 - HG2 LYS 62 far 0 99 0 - 6.0-14.2 HA LYS 58 - HG2 LYS 62 far 0 65 0 - 6.0-16.6 HA ARG 21 - HG2 LYS 62 far 0 94 0 - 6.1-24.8 HA SER 24 - HG3 LYS 60 far 0 94 0 - 6.2-15.2 HA SER 24 - HG2 LYS 62 far 0 98 0 - 6.4-19.9 HA SER 24 - HG2 LYS 60 far 0 93 0 - 7.0-15.3 HA ARG 21 - HG3 LYS 60 far 0 88 0 - 9.0-19.3 HA GLU 33 - HG2 LYS 39 far 0 97 0 - 9.5-11.1 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-2.5 2.9=100 HB3 LYS 39 + HG2 LYS 39 OK 100 100 100 100 3.0-3.0 2.9=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.0-3.0 2.9=100 HB2 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.3-2.5 2.9=100 Violated in 0 structures by 0.00 A. 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 13 assignments used, quality = 1.00: * HG3 LYS 39 + HG2 LYS 39 OK 100 100 100 100 1.8-1.8 1.8=100 HD2 LYS 58 - HG3 LYS 60 far 9 93 10 - 2.6-14.3 HD2 LYS 58 - HG3 LYS 62 far 5 98 5 - 3.6-18.6 HD3 LYS 58 - HG3 LYS 60 far 5 93 5 - 2.9-13.1 HD3 LYS 58 - HG2 LYS 60 far 5 92 5 - 3.1-13.0 HD2 LYS 58 - HG2 LYS 60 far 5 92 5 - 3.5-13.6 HD3 LYS 58 - HG3 LYS 62 far 0 98 0 - 4.8-19.4 HD2 LYS 58 - HG2 LYS 62 far 0 98 0 - 5.1-16.9 HD3 LYS 58 - HG2 LYS 62 far 0 98 0 - 6.4-17.8 HB3 LYS 27 - HG2 LYS 60 far 0 82 0 - 8.0-18.7 HG LEU 37 - HG2 LYS 39 far 0 92 0 - 8.2-9.6 HB3 LYS 27 - HG3 LYS 60 far 0 83 0 - 9.2-17.2 HB3 LYS 27 - HG3 LYS 62 far 0 89 0 - 9.3-20.5 Violated in 0 structures by 0.00 A. Peak 2021 from cnoeabs.peaks (1.69, 1.43, 24.82 ppm; 3.09 A): 10 out of 25 assignments used, quality = 1.00: * HD2 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.7-3.0 3.0=100 HD2 LYS 62 + HG3 LYS 62 OK 70 70 100 100 2.3-3.0 3.0=100 HD2 LYS 62 + HG2 LYS 62 OK 70 70 100 100 2.5-3.0 3.0=100 HD2 LYS 60 + HG3 LYS 60 OK 69 69 100 100 2.3-3.0 2.9=100 HD2 LYS 60 + HG2 LYS 60 OK 68 68 100 100 2.5-3.0 2.9=100 HD3 LYS 62 + HG2 LYS 62 OK 68 68 100 100 2.3-3.0 3.0=100 HD3 LYS 62 + HG3 LYS 62 OK 68 68 100 100 2.5-3.0 3.0=100 HD3 LYS 60 + HG3 LYS 60 OK 64 64 100 100 2.5-3.0 2.9=100 HD3 LYS 60 + HG2 LYS 60 OK 64 64 100 100 2.3-3.0 2.9=100 HD3 LYS 62 - HG3 LYS 60 far 3 62 5 - 4.3-11.8 HD3 LYS 62 - HG2 LYS 60 far 3 61 5 - 3.9-11.5 HB2 ARG 56 - HG3 LYS 60 far 3 57 5 - 3.2-12.9 HB2 ARG 56 - HG2 LYS 60 far 3 56 5 - 3.0-13.2 HD3 LYS 60 - HG2 LYS 62 far 0 70 0 - 4.6-12.8 HD2 LYS 42 - HG2 LYS 39 far 0 68 0 - 4.9-8.6 HD2 LYS 62 - HG3 LYS 60 far 0 64 0 - 5.1-12.6 HD2 LYS 62 - HG2 LYS 60 far 0 64 0 - 5.1-12.3 HD2 LYS 60 - HG2 LYS 62 far 0 75 0 - 5.4-12.1 HD2 LYS 60 - HG3 LYS 62 far 0 75 0 - 5.6-11.7 HB2 ARG 56 - HG3 LYS 62 far 0 62 0 - 5.7-17.1 HD3 LYS 60 - HG3 LYS 62 far 0 70 0 - 5.7-12.5 HB2 ARG 56 - HG2 LYS 62 far 0 62 0 - 5.9-17.1 HG2 LYS 22 - HG2 LYS 39 far 0 83 0 - 9.6-12.8 HG3 LYS 22 - HG2 LYS 39 far 0 90 0 - 9.8-13.0 Violated in 0 structures by 0.00 A. Peak 2022 from cnoeabs.peaks (1.69, 1.43, 24.82 ppm; 3.09 A): 10 out of 25 assignments used, quality = 1.00: HD2 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.2-3.0 3.0=100 * HD3 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.7-3.0 3.0=100 HD2 LYS 62 + HG3 LYS 62 OK 70 70 100 100 2.3-3.0 3.0=100 HD2 LYS 62 + HG2 LYS 62 OK 70 70 100 100 2.5-3.0 3.0=100 HD2 LYS 60 + HG3 LYS 60 OK 69 69 100 100 2.3-3.0 2.9=100 HD2 LYS 60 + HG2 LYS 60 OK 68 68 100 100 2.5-3.0 2.9=100 HD3 LYS 62 + HG2 LYS 62 OK 68 68 100 100 2.3-3.0 3.0=100 HD3 LYS 62 + HG3 LYS 62 OK 68 68 100 100 2.5-3.0 3.0=100 HD3 LYS 60 + HG3 LYS 60 OK 64 64 100 100 2.5-3.0 2.9=100 HD3 LYS 60 + HG2 LYS 60 OK 64 64 100 100 2.3-3.0 2.9=100 HD3 LYS 62 - HG3 LYS 60 far 3 62 5 - 4.3-11.8 HD3 LYS 62 - HG2 LYS 60 far 3 61 5 - 3.9-11.5 HB2 ARG 56 - HG3 LYS 60 far 3 57 5 - 3.2-12.9 HB2 ARG 56 - HG2 LYS 60 far 3 56 5 - 3.0-13.2 HD3 LYS 60 - HG2 LYS 62 far 0 70 0 - 4.6-12.8 HD2 LYS 42 - HG2 LYS 39 far 0 68 0 - 4.9-8.6 HD2 LYS 62 - HG3 LYS 60 far 0 64 0 - 5.1-12.6 HD2 LYS 62 - HG2 LYS 60 far 0 64 0 - 5.1-12.3 HD2 LYS 60 - HG2 LYS 62 far 0 75 0 - 5.4-12.1 HD2 LYS 60 - HG3 LYS 62 far 0 75 0 - 5.6-11.7 HB2 ARG 56 - HG3 LYS 62 far 0 62 0 - 5.7-17.1 HD3 LYS 60 - HG3 LYS 62 far 0 70 0 - 5.7-12.5 HB2 ARG 56 - HG2 LYS 62 far 0 62 0 - 5.9-17.1 HG2 LYS 22 - HG2 LYS 39 far 0 83 0 - 9.6-12.8 HG3 LYS 22 - HG2 LYS 39 far 0 90 0 - 9.8-13.0 Violated in 0 structures by 0.00 A. Peak 2023 from cnoeabs.peaks (2.98, 1.43, 24.82 ppm; 3.82 A): 10 out of 18 assignments used, quality = 1.00: HE3 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.0-3.2 3.6=100 * HE2 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.7-3.9 3.6=100 HE2 LYS 62 + HG3 LYS 62 OK 99 99 100 100 2.2-4.2 3.7=100 HE2 LYS 62 + HG2 LYS 62 OK 99 99 100 100 2.5-3.8 3.7=100 HE3 LYS 62 + HG2 LYS 62 OK 98 98 100 100 2.1-4.2 3.7=100 HE3 LYS 62 + HG3 LYS 62 OK 98 98 100 100 2.5-3.8 3.7=100 HE2 LYS 60 + HG3 LYS 60 OK 94 94 100 100 2.1-4.2 3.9=92, 2997/3.0=14...(58) HE3 LYS 60 + HG3 LYS 60 OK 94 94 100 100 2.1-3.7 3.9=92, 2997/3.0=14...(58) HE2 LYS 60 + HG2 LYS 60 OK 93 93 100 100 2.4-4.1 3.9=92, 2997/3.0=14...(58) HE3 LYS 60 + HG2 LYS 60 OK 93 93 100 100 2.1-4.2 3.9=92, 2997/3.0=14...(58) HE3 LYS 60 - HG3 LYS 62 far 5 99 5 - 4.5-12.6 HE2 LYS 60 - HG3 LYS 62 far 5 99 5 - 5.2-12.5 HE3 LYS 60 - HG2 LYS 62 far 5 99 5 - 5.2-13.8 HE2 LYS 62 - HG3 LYS 60 far 0 94 0 - 5.5-12.7 HE3 LYS 62 - HG2 LYS 60 far 0 92 0 - 5.5-12.7 HE2 LYS 60 - HG2 LYS 62 far 0 99 0 - 5.5-13.4 HE3 LYS 62 - HG3 LYS 60 far 0 93 0 - 5.8-13.7 HE2 LYS 62 - HG2 LYS 60 far 0 93 0 - 5.9-13.0 Violated in 0 structures by 0.00 A. Peak 2024 from cnoeabs.peaks (2.98, 1.43, 24.82 ppm; 3.82 A): 10 out of 18 assignments used, quality = 1.00: * HE3 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.0-3.2 3.6=100 HE2 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.7-3.9 3.6=100 HE2 LYS 62 + HG3 LYS 62 OK 99 99 100 100 2.2-4.2 3.7=100 HE2 LYS 62 + HG2 LYS 62 OK 99 99 100 100 2.5-3.8 3.7=100 HE3 LYS 62 + HG2 LYS 62 OK 98 98 100 100 2.1-4.2 3.7=100 HE3 LYS 62 + HG3 LYS 62 OK 98 98 100 100 2.5-3.8 3.7=100 HE2 LYS 60 + HG3 LYS 60 OK 94 94 100 100 2.1-4.2 3.9=92, 2997/3.0=14...(58) HE3 LYS 60 + HG3 LYS 60 OK 94 94 100 100 2.1-3.7 3.9=92, 2997/3.0=14...(58) HE2 LYS 60 + HG2 LYS 60 OK 93 93 100 100 2.4-4.1 3.9=92, 2997/3.0=14...(58) HE3 LYS 60 + HG2 LYS 60 OK 93 93 100 100 2.1-4.2 3.9=92, 2997/3.0=14...(58) HE3 LYS 60 - HG3 LYS 62 far 5 99 5 - 4.5-12.6 HE2 LYS 60 - HG3 LYS 62 far 5 99 5 - 5.2-12.5 HE3 LYS 60 - HG2 LYS 62 far 5 99 5 - 5.2-13.8 HE2 LYS 62 - HG3 LYS 60 far 0 94 0 - 5.5-12.7 HE3 LYS 62 - HG2 LYS 60 far 0 92 0 - 5.5-12.7 HE2 LYS 60 - HG2 LYS 62 far 0 99 0 - 5.5-13.4 HE3 LYS 62 - HG3 LYS 60 far 0 93 0 - 5.8-13.7 HE2 LYS 62 - HG2 LYS 60 far 0 93 0 - 5.9-13.0 Violated in 0 structures by 0.00 A. Peak 2025 from cnoeabs.peaks (7.67, 1.54, 24.82 ppm; 4.25 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.9-3.8 653=100, 652/1.8=80...(19) Violated in 0 structures by 0.00 A. Peak 2026 from cnoeabs.peaks (4.08, 1.54, 24.82 ppm; 3.79 A): 2 out of 3 assignments used, quality = 1.00: * HA LYS 39 + HG3 LYS 39 OK 100 100 100 100 3.7-3.8 1990=100, 1989/1.8=77...(29) HA LEU 37 + HG3 LYS 39 OK 46 78 90 66 4.5-5.5 3758/5.0=22, 1941=21...(5) HA GLU 33 - HG3 LYS 39 far 0 97 0 - 7.8-9.4 Violated in 0 structures by 0.00 A. Peak 2027 from cnoeabs.peaks (1.92, 1.54, 24.82 ppm; 3.54 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LYS 39 + HG3 LYS 39 OK 100 100 100 100 3.0-3.0 2.9=100 HB3 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.4-2.6 2.9=100 HB2 ARG 34 - HG3 LYS 39 far 0 90 0 - 8.8-10.5 Violated in 0 structures by 0.00 A. Peak 2028 from cnoeabs.peaks (1.92, 1.54, 24.82 ppm; 3.54 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.4-2.6 2.9=100 HB2 LYS 39 + HG3 LYS 39 OK 100 100 100 100 3.0-3.0 2.9=100 HB2 ARG 34 - HG3 LYS 39 far 0 93 0 - 8.8-10.5 Violated in 0 structures by 0.00 A. Peak 2029 from cnoeabs.peaks (1.43, 1.54, 24.82 ppm; 2.44 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 39 + HG3 LYS 39 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LEU 41 - HG3 LYS 39 far 0 100 0 - 6.8-8.7 Violated in 0 structures by 0.00 A. 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 5 assignments used, quality = 1.00: HD3 LYS 39 + HG3 LYS 39 OK 98 100 100 98 2.2-2.9 3.0=86, 1.8/2040=35...(36) * HD2 LYS 39 + HG3 LYS 39 OK 98 100 100 98 2.7-3.0 3.0=86, 1.8/2050=35...(36) HD2 LYS 42 - HG3 LYS 39 far 0 68 0 - 6.0-9.1 HG2 LYS 22 - HG3 LYS 39 far 0 83 0 - 8.0-11.1 HG3 LYS 22 - HG3 LYS 39 far 0 90 0 - 8.1-11.3 Violated in 0 structures by 0.00 A. Peak 2032 from cnoeabs.peaks (1.69, 1.54, 24.82 ppm; 2.81 A): 2 out of 5 assignments used, quality = 1.00: * HD3 LYS 39 + HG3 LYS 39 OK 98 100 100 98 2.2-2.9 3.0=86, 1.8/2040=35...(36) HD2 LYS 39 + HG3 LYS 39 OK 98 100 100 98 2.7-3.0 3.0=86, 1.8/2050=35...(36) HD2 LYS 42 - HG3 LYS 39 far 0 68 0 - 6.0-9.1 HG2 LYS 22 - HG3 LYS 39 far 0 83 0 - 8.0-11.1 HG3 LYS 22 - HG3 LYS 39 far 0 90 0 - 8.1-11.3 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-3.7 3.6=100 * HE2 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.8-4.2 3.6=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-3.7 3.6=100 HE2 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.8-4.2 3.6=100 Violated in 0 structures by 0.00 A. Peak 2035 from cnoeabs.peaks (7.67, 1.69, 28.78 ppm; 4.49 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 39 + HD2 LYS 39 OK 100 100 100 100 3.7-5.7 653/3.0=76, 652/3.0=71...(20) H LYS 39 + HD3 LYS 39 OK 100 100 100 100 4.4-4.6 653/3.0=76, 652/3.0=71...(20) HE22 GLN 47 - HG13 ILE 50 poor 19 64 30 - 5.1-8.6 H VAL 48 - HG13 ILE 50 poor 13 62 45 46 5.5-7.7 ~4569=30, 1016/4532=11 Violated in 0 structures by 0.00 A. Peak 2036 from cnoeabs.peaks (4.08, 1.69, 28.78 ppm; 4.07 A): 2 out of 7 assignments used, quality = 1.00: HA LYS 39 + HD3 LYS 39 OK 100 100 100 100 4.4-5.4 1990/3.0=70, 1989/3.0=68...(31) * HA LYS 39 + HD2 LYS 39 OK 100 100 100 100 4.4-4.9 1990/3.0=70, 1989/3.0=68...(31) HB THR 46 - HG13 ILE 50 poor 16 45 35 - 5.4-7.3 HA LEU 37 - HD3 LYS 39 far 0 78 0 - 5.6-7.7 HA LEU 37 - HD2 LYS 39 far 0 78 0 - 6.4-8.2 HA GLU 33 - HD3 LYS 39 far 0 97 0 - 7.3-10.0 HA GLU 33 - HD2 LYS 39 far 0 97 0 - 7.6-11.1 Violated in 20 structures by 0.19 A. Peak 2037 from cnoeabs.peaks (1.92, 1.69, 28.78 ppm; 3.06 A): 5 out of 7 assignments used, quality = 1.00: HB3 LYS 39 + HD3 LYS 39 OK 99 100 100 99 2.6-3.4 3.9=50, 2.9/2050=28...(38) HB2 LYS 39 + HD3 LYS 39 OK 99 100 100 99 2.3-3.9 3.9=50, 2.9/2050=28...(38) HB3 LYS 39 + HD2 LYS 39 OK 98 100 100 98 2.1-3.7 3.9=50, 2.9/2050=28...(38) * HB2 LYS 39 + HD2 LYS 39 OK 98 100 100 98 2.3-3.2 3.9=50, 2.9/2050=28...(38) HB ILE 50 + HG13 ILE 50 OK 57 57 100 100 2.3-3.0 3.0=100 HB2 ARG 34 - HD2 LYS 39 far 0 90 0 - 8.3-12.1 HB2 ARG 34 - HD3 LYS 39 far 0 90 0 - 9.0-10.6 Violated in 0 structures by 0.00 A. Peak 2038 from cnoeabs.peaks (1.92, 1.69, 28.78 ppm; 3.06 A): 5 out of 7 assignments used, quality = 1.00: HB3 LYS 39 + HD3 LYS 39 OK 99 100 100 99 2.6-3.4 3.9=50, 2.9/2050=28...(38) HB2 LYS 39 + HD3 LYS 39 OK 99 100 100 99 2.3-3.9 3.9=50, 2.9/2050=28...(38) * HB3 LYS 39 + HD2 LYS 39 OK 98 100 100 98 2.1-3.7 3.9=50, 2.9/2050=28...(38) HB2 LYS 39 + HD2 LYS 39 OK 98 100 100 98 2.3-3.2 3.9=50, 2.9/2050=28...(38) HB ILE 50 + HG13 ILE 50 OK 59 59 100 100 2.3-3.0 3.0=100 HB2 ARG 34 - HD2 LYS 39 far 0 93 0 - 8.3-12.1 HB2 ARG 34 - HD3 LYS 39 far 0 93 0 - 9.0-10.6 Violated in 0 structures by 0.00 A. Peak 2039 from cnoeabs.peaks (1.43, 1.69, 28.78 ppm; 3.03 A): 2 out of 5 assignments used, quality = 1.00: * HG2 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.7-3.0 3.0=100 HB3 LEU 41 - HD3 LYS 39 far 0 100 0 - 9.0-11.0 HB3 LEU 41 - HD2 LYS 39 far 0 100 0 - 9.2-11.1 HG3 ARG 56 - HG13 ILE 50 far 0 43 0 - 9.7-14.9 Violated in 0 structures by 0.00 A. Peak 2040 from cnoeabs.peaks (1.54, 1.69, 28.78 ppm; 2.63 A): 2 out of 7 assignments used, quality = 1.00: HG3 LYS 39 + HD3 LYS 39 OK 94 100 100 94 2.2-2.9 3.0=71, 2031/1.8=29...(32) * HG3 LYS 39 + HD2 LYS 39 OK 94 100 100 94 2.7-3.0 3.0=71, 2031/1.8=29...(32) HG2 LYS 49 - HG13 ILE 50 far 4 38 10 - 3.3-7.8 HG LEU 37 - HD3 LYS 39 far 0 92 0 - 8.3-9.8 HG LEU 37 - HD2 LYS 39 far 0 92 0 - 8.5-10.9 QB ALA 31 - HD2 LYS 39 far 0 95 0 - 9.2-12.0 QB ALA 31 - HD3 LYS 39 far 0 95 0 - 9.5-10.7 Violated in 0 structures by 0.00 A. 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 6 assignments used, quality = 1.00: HE2 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.2-2.5 3.0=100 * HE2 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.7-3.0 3.0=100 HE2 LYS 49 - HG13 ILE 50 poor 17 66 25 - 4.1-8.9 HE3 LYS 49 - HG13 ILE 50 far 3 66 5 - 4.0-8.8 Violated in 0 structures by 0.00 A. Peak 2044 from cnoeabs.peaks (2.98, 1.69, 28.78 ppm; 3.11 A): 4 out of 6 assignments used, quality = 1.00: HE2 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.2-2.5 3.0=100 HE2 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.4-3.0 3.0=100 * HE3 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.7-3.0 3.0=100 HE2 LYS 49 - HG13 ILE 50 poor 17 66 25 - 4.1-8.9 HE3 LYS 49 - HG13 ILE 50 far 3 66 5 - 4.0-8.8 Violated in 0 structures by 0.00 A. Peak 2045 from cnoeabs.peaks (7.67, 1.69, 28.78 ppm; 4.49 A): 2 out of 4 assignments used, quality = 1.00: H LYS 39 + HD2 LYS 39 OK 100 100 100 100 3.7-5.7 653/3.0=76, 652/3.0=71...(20) * H LYS 39 + HD3 LYS 39 OK 100 100 100 100 4.4-4.6 653/3.0=76, 652/3.0=71...(20) HE22 GLN 47 - HG13 ILE 50 poor 19 64 30 - 5.1-8.6 H VAL 48 - HG13 ILE 50 poor 13 62 45 46 5.5-7.7 ~4569=30, 1016/4532=11 Violated in 0 structures by 0.00 A. Peak 2046 from cnoeabs.peaks (4.08, 1.69, 28.78 ppm; 4.07 A): 2 out of 7 assignments used, quality = 1.00: * HA LYS 39 + HD3 LYS 39 OK 100 100 100 100 4.4-5.4 1990/3.0=70, 1989/3.0=68...(31) HA LYS 39 + HD2 LYS 39 OK 100 100 100 100 4.4-4.9 1990/3.0=70, 1989/3.0=68...(31) HB THR 46 - HG13 ILE 50 poor 16 45 35 - 5.4-7.3 HA LEU 37 - HD3 LYS 39 far 0 78 0 - 5.6-7.7 HA LEU 37 - HD2 LYS 39 far 0 78 0 - 6.4-8.2 HA GLU 33 - HD3 LYS 39 far 0 97 0 - 7.3-10.0 HA GLU 33 - HD2 LYS 39 far 0 97 0 - 7.6-11.1 Violated in 20 structures by 0.19 A. Peak 2047 from cnoeabs.peaks (1.92, 1.69, 28.78 ppm; 3.06 A): 5 out of 7 assignments used, quality = 1.00: HB3 LYS 39 + HD3 LYS 39 OK 99 100 100 99 2.6-3.4 3.9=50, 2.9/2050=28...(38) * HB2 LYS 39 + HD3 LYS 39 OK 99 100 100 99 2.3-3.9 3.9=50, 2.9/2050=28...(38) HB3 LYS 39 + HD2 LYS 39 OK 98 100 100 98 2.1-3.7 3.9=50, 2.9/2050=28...(38) HB2 LYS 39 + HD2 LYS 39 OK 98 100 100 98 2.3-3.2 3.9=50, 2.9/2050=28...(38) HB ILE 50 + HG13 ILE 50 OK 57 57 100 100 2.3-3.0 3.0=100 HB2 ARG 34 - HD2 LYS 39 far 0 90 0 - 8.3-12.1 HB2 ARG 34 - HD3 LYS 39 far 0 90 0 - 9.0-10.6 Violated in 0 structures by 0.00 A. Peak 2048 from cnoeabs.peaks (1.92, 1.69, 28.78 ppm; 3.06 A): 5 out of 7 assignments used, quality = 1.00: * HB3 LYS 39 + HD3 LYS 39 OK 99 100 100 99 2.6-3.4 3.9=50, 2.9/2050=28...(38) HB2 LYS 39 + HD3 LYS 39 OK 99 100 100 99 2.3-3.9 3.9=50, 2.9/2050=28...(38) HB3 LYS 39 + HD2 LYS 39 OK 98 100 100 98 2.1-3.7 3.9=50, 2.9/2050=28...(38) HB2 LYS 39 + HD2 LYS 39 OK 98 100 100 98 2.3-3.2 3.9=50, 2.9/2050=28...(38) HB ILE 50 + HG13 ILE 50 OK 59 59 100 100 2.3-3.0 3.0=100 HB2 ARG 34 - HD2 LYS 39 far 0 93 0 - 8.3-12.1 HB2 ARG 34 - HD3 LYS 39 far 0 93 0 - 9.0-10.6 Violated in 0 structures by 0.00 A. Peak 2049 from cnoeabs.peaks (1.43, 1.69, 28.78 ppm; 3.03 A): 2 out of 5 assignments used, quality = 1.00: HG2 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.2-3.0 3.0=100 * HG2 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.7-3.0 3.0=100 HB3 LEU 41 - HD3 LYS 39 far 0 100 0 - 9.0-11.0 HB3 LEU 41 - HD2 LYS 39 far 0 100 0 - 9.2-11.1 HG3 ARG 56 - HG13 ILE 50 far 0 43 0 - 9.7-14.9 Violated in 0 structures by 0.00 A. Peak 2050 from cnoeabs.peaks (1.54, 1.69, 28.78 ppm; 2.63 A): 2 out of 7 assignments used, quality = 1.00: * HG3 LYS 39 + HD3 LYS 39 OK 94 100 100 94 2.2-2.9 3.0=71, 2031/1.8=29...(32) HG3 LYS 39 + HD2 LYS 39 OK 94 100 100 94 2.7-3.0 3.0=71, 2031/1.8=29...(32) HG2 LYS 49 - HG13 ILE 50 far 4 38 10 - 3.3-7.8 HG LEU 37 - HD3 LYS 39 far 0 92 0 - 8.3-9.8 HG LEU 37 - HD2 LYS 39 far 0 92 0 - 8.5-10.9 QB ALA 31 - HD2 LYS 39 far 0 95 0 - 9.2-12.0 QB ALA 31 - HD3 LYS 39 far 0 95 0 - 9.5-10.7 Violated in 0 structures by 0.00 A. 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 6 assignments used, quality = 1.00: * HE2 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.2-2.5 3.0=100 HE2 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.7-3.0 3.0=100 HE2 LYS 49 - HG13 ILE 50 poor 17 66 25 - 4.1-8.9 HE3 LYS 49 - HG13 ILE 50 far 3 66 5 - 4.0-8.8 Violated in 0 structures by 0.00 A. Peak 2054 from cnoeabs.peaks (2.98, 1.69, 28.78 ppm; 3.11 A): 4 out of 6 assignments used, quality = 1.00: HE2 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.2-2.5 3.0=100 HE2 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.4-3.0 3.0=100 * HE3 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.7-3.0 3.0=100 HE2 LYS 49 - HG13 ILE 50 poor 17 66 25 - 4.1-8.9 HE3 LYS 49 - HG13 ILE 50 far 3 66 5 - 4.0-8.8 Violated in 0 structures by 0.00 A. Peak 2056 from cnoeabs.peaks (4.08, 2.98, 41.78 ppm; 4.91 A): 2 out of 24 assignments used, quality = 1.00: HA LYS 39 + HE3 LYS 39 OK 100 100 100 100 4.8-5.6 1990/3.6=80, 1989/3.6=78...(24) * HA LYS 39 + HE2 LYS 39 OK 100 100 100 100 5.7-6.4 1990/3.6=80, 1989/3.6=78...(24) HB THR 46 - HE2 LYS 49 poor 10 39 25 - 6.1-9.8 HA SER 24 - HE2 LYS 62 far 7 70 10 - 5.8-21.5 HA ARG 56 - HE3 LYS 62 far 7 68 10 - 4.6-17.0 HA ARG 21 - HE2 LYS 62 far 6 64 10 - 5.9-26.7 HA LYS 58 - HE2 LYS 62 far 6 41 15 - 5.0-16.6 HB THR 46 - HE3 LYS 49 far 6 39 15 - 5.9-11.0 HA SER 24 - HE2 LYS 60 far 6 58 10 - 5.4-18.4 HA LYS 58 - HE3 LYS 60 far 5 33 15 - 5.1-12.7 HA LEU 37 - HE3 LYS 39 far 4 78 5 - 6.3-8.3 HA LYS 58 - HE3 LYS 62 far 4 39 10 - 4.8-17.7 HA ARG 56 - HE2 LYS 62 far 4 70 5 - 5.8-16.5 HA SER 24 - HE3 LYS 62 far 3 67 5 - 6.2-20.5 HA LYS 58 - HE2 LYS 60 far 3 33 10 - 5.2-12.8 HA ARG 21 - HE3 LYS 62 far 3 62 5 - 5.8-25.9 HA ARG 56 - HE2 LYS 60 far 3 59 5 - 4.4-11.9 HA ARG 56 - HE3 LYS 60 far 3 58 5 - 4.0-12.0 HA SER 24 - HE3 LYS 60 far 3 58 5 - 5.8-17.5 HA LEU 37 - HE2 LYS 39 far 0 78 0 - 6.5-8.1 HA GLU 33 - HE2 LYS 39 far 0 97 0 - 8.3-9.7 HA GLU 33 - HE3 LYS 39 far 0 97 0 - 9.1-10.9 HA ARG 21 - HE2 LYS 60 far 0 53 0 - 9.3-22.4 HA ARG 56 - HE3 LYS 49 far 0 58 0 - 9.6-15.3 Violated in 16 structures by 0.09 A. Peak 2057 from cnoeabs.peaks (1.92, 2.98, 41.78 ppm; 4.71 A): 4 out of 9 assignments used, quality = 1.00: HB2 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.7-4.4 4.9=90, 3.0/2066=31...(39) * HB2 LYS 39 + HE2 LYS 39 OK 100 100 100 100 4.0-4.7 4.9=90, 3.0/2066=31...(39) HB3 LYS 39 + HE2 LYS 39 OK 100 100 100 100 3.2-4.7 4.9=90, 3.0/2056=31...(39) HB3 LYS 39 + HE3 LYS 39 OK 100 100 100 100 3.4-4.6 4.9=90, 3.0/2056=31...(39) HB ILE 50 - HE3 LYS 49 far 5 50 10 - 5.9-8.6 HB ILE 50 - HE2 LYS 49 far 5 50 10 - 6.1-8.9 HB2 ARG 34 - HE2 LYS 49 far 0 48 0 - 8.5-11.8 HB ILE 50 - HE2 LYS 62 far 0 61 0 - 9.1-27.2 HB2 ARG 34 - HE3 LYS 49 far 0 48 0 - 9.2-11.4 Violated in 0 structures by 0.00 A. Peak 2058 from cnoeabs.peaks (1.92, 2.98, 41.78 ppm; 4.71 A): 4 out of 9 assignments used, quality = 1.00: * HB3 LYS 39 + HE2 LYS 39 OK 100 100 100 100 3.2-4.7 4.9=90, 3.0/2056=31...(39) HB3 LYS 39 + HE3 LYS 39 OK 100 100 100 100 3.4-4.6 4.9=90, 3.0/2056=31...(39) HB2 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.7-4.4 4.9=90, 3.0/2066=31...(39) HB2 LYS 39 + HE2 LYS 39 OK 100 100 100 100 4.0-4.7 4.9=90, 3.0/2066=31...(39) HB ILE 50 - HE3 LYS 49 far 5 52 10 - 5.9-8.6 HB ILE 50 - HE2 LYS 49 far 5 52 10 - 6.1-8.9 HB2 ARG 34 - HE2 LYS 49 far 0 50 0 - 8.5-11.8 HB ILE 50 - HE2 LYS 62 far 0 63 0 - 9.1-27.2 HB2 ARG 34 - HE3 LYS 49 far 0 50 0 - 9.2-11.4 Violated in 0 structures by 0.00 A. Peak 2059 from cnoeabs.peaks (1.43, 2.98, 41.78 ppm; 4.05 A): 10 out of 36 assignments used, quality = 1.00: HG2 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.0-3.2 3.6=100 * HG2 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.7-3.9 3.6=100 HG3 LYS 62 + HE2 LYS 62 OK 70 70 100 100 2.2-4.2 3.7=100 HG2 LYS 62 + HE2 LYS 62 OK 70 70 100 100 2.5-3.8 3.7=100 HG2 LYS 62 + HE3 LYS 62 OK 68 68 100 100 2.1-4.2 3.7=100 HG3 LYS 62 + HE3 LYS 62 OK 68 68 100 100 2.5-3.8 3.7=100 HG3 LYS 60 + HE2 LYS 60 OK 59 59 100 100 2.1-4.2 3.9=100 HG3 LYS 60 + HE3 LYS 60 OK 58 58 100 100 2.1-3.7 3.9=100 HG2 LYS 60 + HE2 LYS 60 OK 58 58 100 100 2.4-4.1 3.9=100 HG2 LYS 60 + HE3 LYS 60 OK 58 58 100 100 2.1-4.2 3.9=100 HG3 LYS 58 - HE2 LYS 62 far 4 44 10 - 3.4-19.0 HG3 LYS 58 - HE3 LYS 62 far 4 42 10 - 4.2-19.3 HG3 LYS 58 - HE3 LYS 60 far 4 36 10 - 4.5-14.3 HG3 LYS 60 - HE2 LYS 62 far 3 70 5 - 5.5-12.7 HG2 LYS 60 - HE3 LYS 62 far 3 67 5 - 5.5-12.7 HG3 LYS 62 - HE2 LYS 60 far 3 59 5 - 5.2-12.5 HG2 LYS 62 - HE2 LYS 60 far 3 59 5 - 5.5-13.4 HG3 LYS 62 - HE3 LYS 60 far 3 58 5 - 4.5-12.6 HG2 LYS 62 - HE3 LYS 60 far 3 58 5 - 5.2-13.8 HG3 ARG 56 - HE2 LYS 60 far 2 38 5 - 4.7-14.0 HG3 ARG 56 - HE3 LYS 60 far 2 38 5 - 5.2-14.7 HG3 LYS 58 - HE2 LYS 60 far 2 36 5 - 4.9-14.3 HG3 ARG 56 - HE3 LYS 62 far 0 44 0 - 5.8-18.6 HG3 LYS 60 - HE3 LYS 62 far 0 68 0 - 5.8-13.7 HG2 LYS 60 - HE2 LYS 62 far 0 70 0 - 5.9-13.0 HG3 ARG 56 - HE2 LYS 62 far 0 46 0 - 7.3-18.1 HB2 LYS 27 - HE3 LYS 62 far 0 61 0 - 7.9-21.0 HB2 LYS 27 - HE2 LYS 60 far 0 52 0 - 7.9-16.7 HG3 ARG 56 - HE3 LYS 49 far 0 38 0 - 8.2-14.6 HB2 LYS 27 - HE3 LYS 60 far 0 52 0 - 8.3-17.4 HB2 LYS 27 - HE3 LYS 49 far 0 52 0 - 8.6-15.4 HG3 ARG 56 - HE2 LYS 49 far 0 38 0 - 9.5-15.4 HB2 LYS 27 - HE2 LYS 62 far 0 63 0 - 9.6-20.6 HB3 LEU 41 - HE3 LYS 39 far 0 100 0 - 9.6-11.5 HB3 LEU 41 - HE2 LYS 39 far 0 100 0 - 9.8-12.3 HB2 LYS 27 - HE2 LYS 49 far 0 52 0 - 9.8-14.1 Violated in 0 structures by 0.00 A. Peak 2060 from cnoeabs.peaks (1.54, 2.98, 41.78 ppm; 4.17 A): 4 out of 21 assignments used, quality = 1.00: HG3 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.1-3.7 3.6=100 * HG3 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.8-4.2 3.6=100 HG2 LYS 49 + HE2 LYS 49 OK 33 33 100 100 2.1-3.9 3.6=100 HG2 LYS 49 + HE3 LYS 49 OK 33 33 100 100 2.1-3.7 3.6=100 HD2 LYS 58 - HE3 LYS 60 far 9 58 15 - 3.3-14.6 HD2 LYS 58 - HE2 LYS 62 far 7 69 10 - 3.8-19.8 HD3 LYS 58 - HE2 LYS 62 far 7 69 10 - 5.1-20.7 HD2 LYS 58 - HE3 LYS 62 far 7 67 10 - 5.0-20.0 HD3 LYS 58 - HE2 LYS 60 far 6 58 10 - 5.2-14.7 HD3 LYS 58 - HE3 LYS 60 far 6 58 10 - 4.1-15.5 HD2 LYS 58 - HE2 LYS 60 far 3 58 5 - 4.9-14.0 HD3 LYS 58 - HE3 LYS 62 far 0 67 0 - 5.7-21.0 QB ALA 31 - HE2 LYS 49 far 0 51 0 - 8.4-12.7 HB3 LYS 27 - HE2 LYS 60 far 0 49 0 - 8.8-18.3 HB3 LYS 27 - HE3 LYS 49 far 0 49 0 - 8.8-16.2 HB3 LYS 27 - HE3 LYS 60 far 0 49 0 - 9.1-19.1 HG LEU 37 - HE3 LYS 39 far 0 92 0 - 9.2-11.4 HG LEU 37 - HE2 LYS 39 far 0 92 0 - 9.2-11.5 HB3 LYS 27 - HE3 LYS 62 far 0 57 0 - 9.2-22.3 QB ALA 31 - HE3 LYS 49 far 0 51 0 - 9.6-12.5 QB ALA 31 - HE2 LYS 39 far 0 95 0 - 10.0-12.5 Violated in 0 structures by 0.00 A. Peak 2061 from cnoeabs.peaks (1.69, 2.98, 41.78 ppm; 3.14 A): 16 out of 36 assignments used, quality = 1.00: HD3 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.2-2.5 3.0=100 * HD2 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.7-3.0 3.0=100 HD3 LYS 49 + HE2 LYS 49 OK 56 56 100 100 2.3-3.0 3.0=100 HD3 LYS 49 + HE3 LYS 49 OK 56 56 100 100 2.6-3.0 3.0=100 HD2 LYS 49 + HE3 LYS 49 OK 55 55 100 100 2.3-3.0 3.0=100 HD2 LYS 49 + HE2 LYS 49 OK 55 55 100 100 2.6-3.0 3.0=100 HD2 LYS 62 + HE2 LYS 62 OK 44 44 100 100 2.4-3.0 3.0=100 HD2 LYS 62 + HE3 LYS 62 OK 42 42 100 100 2.3-3.0 3.0=100 HD3 LYS 62 + HE2 LYS 62 OK 42 42 100 100 2.3-3.0 3.0=100 HD3 LYS 62 + HE3 LYS 62 OK 41 41 100 100 2.4-3.0 3.0=100 HD2 LYS 60 + HE2 LYS 60 OK 39 39 100 100 2.5-3.0 3.0=100 HD2 LYS 60 + HE3 LYS 60 OK 39 39 100 100 2.3-3.0 3.0=100 HD3 LYS 60 + HE2 LYS 60 OK 36 36 100 100 2.3-3.0 3.0=100 HD3 LYS 60 + HE3 LYS 60 OK 36 36 100 100 2.5-3.0 3.0=100 HG13 ILE 50 - HE2 LYS 49 poor 15 58 25 - 4.1-8.9 HG13 ILE 50 - HE3 LYS 49 far 3 58 5 - 4.0-8.8 HB2 ARG 56 - HE3 LYS 60 far 0 31 0 - 4.7-14.1 HD3 LYS 60 - HE2 LYS 62 far 0 44 0 - 4.8-13.3 HB2 ARG 56 - HE2 LYS 60 far 0 32 0 - 5.0-14.5 HD2 LYS 62 - HE3 LYS 60 far 0 36 0 - 5.0-14.6 HD2 LYS 60 - HE2 LYS 62 far 0 48 0 - 5.0-13.0 HD2 LYS 62 - HE2 LYS 60 far 0 36 0 - 5.2-14.4 HB2 ARG 56 - HE3 LYS 62 far 0 37 0 - 5.5-19.2 HD3 LYS 62 - HE2 LYS 60 far 0 35 0 - 6.0-14.0 HD2 LYS 60 - HE3 LYS 62 far 0 46 0 - 6.0-13.1 HD3 LYS 62 - HE3 LYS 60 far 0 34 0 - 6.0-13.3 HD3 LYS 60 - HE3 LYS 62 far 0 42 0 - 6.2-14.2 HD2 LYS 42 - HE3 LYS 39 far 0 68 0 - 6.4-10.1 HB2 ARG 56 - HE2 LYS 62 far 0 39 0 - 7.1-18.7 HB2 ARG 56 - HE3 LYS 49 far 0 31 0 - 7.2-13.6 HD2 LYS 42 - HE2 LYS 39 far 0 68 0 - 7.3-11.8 HB2 ARG 56 - HE2 LYS 49 far 0 31 0 - 8.9-13.8 HG2 LYS 22 - HE3 LYS 39 far 0 83 0 - 9.6-14.4 HG2 LYS 22 - HE2 LYS 39 far 0 83 0 - 9.9-13.9 Violated in 0 structures by 0.00 A. Peak 2062 from cnoeabs.peaks (1.69, 2.98, 41.78 ppm; 3.14 A): 16 out of 36 assignments used, quality = 1.00: * HD3 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.2-2.5 3.0=100 HD2 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.7-3.0 3.0=100 HD3 LYS 49 + HE2 LYS 49 OK 56 56 100 100 2.3-3.0 3.0=100 HD3 LYS 49 + HE3 LYS 49 OK 56 56 100 100 2.6-3.0 3.0=100 HD2 LYS 49 + HE3 LYS 49 OK 55 55 100 100 2.3-3.0 3.0=100 HD2 LYS 49 + HE2 LYS 49 OK 55 55 100 100 2.6-3.0 3.0=100 HD2 LYS 62 + HE2 LYS 62 OK 44 44 100 100 2.4-3.0 3.0=100 HD2 LYS 62 + HE3 LYS 62 OK 42 42 100 100 2.3-3.0 3.0=100 HD3 LYS 62 + HE2 LYS 62 OK 42 42 100 100 2.3-3.0 3.0=100 HD3 LYS 62 + HE3 LYS 62 OK 41 41 100 100 2.4-3.0 3.0=100 HD2 LYS 60 + HE2 LYS 60 OK 39 39 100 100 2.5-3.0 3.0=100 HD2 LYS 60 + HE3 LYS 60 OK 39 39 100 100 2.3-3.0 3.0=100 HD3 LYS 60 + HE2 LYS 60 OK 36 36 100 100 2.3-3.0 3.0=100 HD3 LYS 60 + HE3 LYS 60 OK 36 36 100 100 2.5-3.0 3.0=100 HG13 ILE 50 - HE2 LYS 49 poor 15 58 25 - 4.1-8.9 HG13 ILE 50 - HE3 LYS 49 far 3 58 5 - 4.0-8.8 HB2 ARG 56 - HE3 LYS 60 far 0 31 0 - 4.7-14.1 HD3 LYS 60 - HE2 LYS 62 far 0 44 0 - 4.8-13.3 HB2 ARG 56 - HE2 LYS 60 far 0 32 0 - 5.0-14.5 HD2 LYS 62 - HE3 LYS 60 far 0 36 0 - 5.0-14.6 HD2 LYS 60 - HE2 LYS 62 far 0 48 0 - 5.0-13.0 HD2 LYS 62 - HE2 LYS 60 far 0 36 0 - 5.2-14.4 HB2 ARG 56 - HE3 LYS 62 far 0 37 0 - 5.5-19.2 HD3 LYS 62 - HE2 LYS 60 far 0 35 0 - 6.0-14.0 HD2 LYS 60 - HE3 LYS 62 far 0 46 0 - 6.0-13.1 HD3 LYS 62 - HE3 LYS 60 far 0 34 0 - 6.0-13.3 HD3 LYS 60 - HE3 LYS 62 far 0 42 0 - 6.2-14.2 HD2 LYS 42 - HE3 LYS 39 far 0 68 0 - 6.4-10.1 HB2 ARG 56 - HE2 LYS 62 far 0 39 0 - 7.1-18.7 HB2 ARG 56 - HE3 LYS 49 far 0 31 0 - 7.2-13.6 HD2 LYS 42 - HE2 LYS 39 far 0 68 0 - 7.3-11.8 HB2 ARG 56 - HE2 LYS 49 far 0 31 0 - 8.9-13.8 HG2 LYS 22 - HE3 LYS 39 far 0 83 0 - 9.6-14.4 HG2 LYS 22 - HE2 LYS 39 far 0 83 0 - 9.9-13.9 Violated in 0 structures by 0.00 A. 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 24 assignments used, quality = 1.00: * HA LYS 39 + HE3 LYS 39 OK 100 100 100 100 4.8-5.6 1990/3.6=80, 1989/3.6=78...(24) HA LYS 39 + HE2 LYS 39 OK 100 100 100 100 5.7-6.4 1990/3.6=80, 1989/3.6=78...(24) HB THR 46 - HE2 LYS 49 poor 10 39 25 - 6.1-9.8 HA SER 24 - HE2 LYS 62 far 7 70 10 - 5.8-21.5 HA ARG 56 - HE3 LYS 62 far 7 68 10 - 4.6-17.0 HA ARG 21 - HE2 LYS 62 far 6 64 10 - 5.9-26.7 HA LYS 58 - HE2 LYS 62 far 6 41 15 - 5.0-16.6 HB THR 46 - HE3 LYS 49 far 6 39 15 - 5.9-11.0 HA SER 24 - HE2 LYS 60 far 6 58 10 - 5.4-18.4 HA LYS 58 - HE3 LYS 60 far 5 33 15 - 5.1-12.7 HA LEU 37 - HE3 LYS 39 far 4 78 5 - 6.3-8.3 HA LYS 58 - HE3 LYS 62 far 4 39 10 - 4.8-17.7 HA ARG 56 - HE2 LYS 62 far 4 70 5 - 5.8-16.5 HA SER 24 - HE3 LYS 62 far 3 67 5 - 6.2-20.5 HA LYS 58 - HE2 LYS 60 far 3 33 10 - 5.2-12.8 HA ARG 21 - HE3 LYS 62 far 3 62 5 - 5.8-25.9 HA ARG 56 - HE2 LYS 60 far 3 59 5 - 4.4-11.9 HA ARG 56 - HE3 LYS 60 far 3 58 5 - 4.0-12.0 HA SER 24 - HE3 LYS 60 far 3 58 5 - 5.8-17.5 HA LEU 37 - HE2 LYS 39 far 0 78 0 - 6.5-8.1 HA GLU 33 - HE2 LYS 39 far 0 97 0 - 8.3-9.7 HA GLU 33 - HE3 LYS 39 far 0 97 0 - 9.1-10.9 HA ARG 21 - HE2 LYS 60 far 0 53 0 - 9.3-22.4 HA ARG 56 - HE3 LYS 49 far 0 58 0 - 9.6-15.3 Violated in 16 structures by 0.09 A. Peak 2067 from cnoeabs.peaks (1.92, 2.98, 41.78 ppm; 4.71 A): 4 out of 9 assignments used, quality = 1.00: * HB2 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.7-4.4 4.9=90, 3.0/2066=31...(39) HB2 LYS 39 + HE2 LYS 39 OK 100 100 100 100 4.0-4.7 4.9=90, 3.0/2066=31...(39) HB3 LYS 39 + HE2 LYS 39 OK 100 100 100 100 3.2-4.7 4.9=90, 3.0/2056=31...(39) HB3 LYS 39 + HE3 LYS 39 OK 100 100 100 100 3.4-4.6 4.9=90, 3.0/2056=31...(39) HB ILE 50 - HE3 LYS 49 far 5 50 10 - 5.9-8.6 HB ILE 50 - HE2 LYS 49 far 5 50 10 - 6.1-8.9 HB2 ARG 34 - HE2 LYS 49 far 0 48 0 - 8.5-11.8 HB ILE 50 - HE2 LYS 62 far 0 61 0 - 9.1-27.2 HB2 ARG 34 - HE3 LYS 49 far 0 48 0 - 9.2-11.4 Violated in 0 structures by 0.00 A. Peak 2068 from cnoeabs.peaks (1.92, 2.98, 41.78 ppm; 4.71 A): 4 out of 9 assignments used, quality = 1.00: HB3 LYS 39 + HE2 LYS 39 OK 100 100 100 100 3.2-4.7 4.9=90, 3.0/2056=31...(39) * HB3 LYS 39 + HE3 LYS 39 OK 100 100 100 100 3.4-4.6 4.9=90, 3.0/2056=31...(39) HB2 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.7-4.4 4.9=90, 3.0/2066=31...(39) HB2 LYS 39 + HE2 LYS 39 OK 100 100 100 100 4.0-4.7 4.9=90, 3.0/2066=31...(39) HB ILE 50 - HE3 LYS 49 far 5 52 10 - 5.9-8.6 HB ILE 50 - HE2 LYS 49 far 5 52 10 - 6.1-8.9 HB2 ARG 34 - HE2 LYS 49 far 0 50 0 - 8.5-11.8 HB ILE 50 - HE2 LYS 62 far 0 63 0 - 9.1-27.2 HB2 ARG 34 - HE3 LYS 49 far 0 50 0 - 9.2-11.4 Violated in 0 structures by 0.00 A. Peak 2069 from cnoeabs.peaks (1.43, 2.98, 41.78 ppm; 4.05 A): 10 out of 36 assignments used, quality = 1.00: * HG2 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.0-3.2 3.6=100 HG2 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.7-3.9 3.6=100 HG3 LYS 62 + HE2 LYS 62 OK 70 70 100 100 2.2-4.2 3.7=100 HG2 LYS 62 + HE2 LYS 62 OK 70 70 100 100 2.5-3.8 3.7=100 HG2 LYS 62 + HE3 LYS 62 OK 68 68 100 100 2.1-4.2 3.7=100 HG3 LYS 62 + HE3 LYS 62 OK 68 68 100 100 2.5-3.8 3.7=100 HG3 LYS 60 + HE2 LYS 60 OK 59 59 100 100 2.1-4.2 3.9=100 HG3 LYS 60 + HE3 LYS 60 OK 58 58 100 100 2.1-3.7 3.9=100 HG2 LYS 60 + HE2 LYS 60 OK 58 58 100 100 2.4-4.1 3.9=100 HG2 LYS 60 + HE3 LYS 60 OK 58 58 100 100 2.1-4.2 3.9=100 HG3 LYS 58 - HE2 LYS 62 far 4 44 10 - 3.4-19.0 HG3 LYS 58 - HE3 LYS 62 far 4 42 10 - 4.2-19.3 HG3 LYS 58 - HE3 LYS 60 far 4 36 10 - 4.5-14.3 HG3 LYS 60 - HE2 LYS 62 far 3 70 5 - 5.5-12.7 HG2 LYS 60 - HE3 LYS 62 far 3 67 5 - 5.5-12.7 HG3 LYS 62 - HE2 LYS 60 far 3 59 5 - 5.2-12.5 HG2 LYS 62 - HE2 LYS 60 far 3 59 5 - 5.5-13.4 HG3 LYS 62 - HE3 LYS 60 far 3 58 5 - 4.5-12.6 HG2 LYS 62 - HE3 LYS 60 far 3 58 5 - 5.2-13.8 HG3 ARG 56 - HE2 LYS 60 far 2 38 5 - 4.7-14.0 HG3 ARG 56 - HE3 LYS 60 far 2 38 5 - 5.2-14.7 HG3 LYS 58 - HE2 LYS 60 far 2 36 5 - 4.9-14.3 HG3 ARG 56 - HE3 LYS 62 far 0 44 0 - 5.8-18.6 HG3 LYS 60 - HE3 LYS 62 far 0 68 0 - 5.8-13.7 HG2 LYS 60 - HE2 LYS 62 far 0 70 0 - 5.9-13.0 HG3 ARG 56 - HE2 LYS 62 far 0 46 0 - 7.3-18.1 HB2 LYS 27 - HE3 LYS 62 far 0 61 0 - 7.9-21.0 HB2 LYS 27 - HE2 LYS 60 far 0 52 0 - 7.9-16.7 HG3 ARG 56 - HE3 LYS 49 far 0 38 0 - 8.2-14.6 HB2 LYS 27 - HE3 LYS 60 far 0 52 0 - 8.3-17.4 HB2 LYS 27 - HE3 LYS 49 far 0 52 0 - 8.6-15.4 HG3 ARG 56 - HE2 LYS 49 far 0 38 0 - 9.5-15.4 HB2 LYS 27 - HE2 LYS 62 far 0 63 0 - 9.6-20.6 HB3 LEU 41 - HE3 LYS 39 far 0 100 0 - 9.6-11.5 HB3 LEU 41 - HE2 LYS 39 far 0 100 0 - 9.8-12.3 HB2 LYS 27 - HE2 LYS 49 far 0 52 0 - 9.8-14.1 Violated in 0 structures by 0.00 A. Peak 2070 from cnoeabs.peaks (1.54, 2.98, 41.78 ppm; 4.17 A): 4 out of 21 assignments used, quality = 1.00: * HG3 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.1-3.7 3.6=100 HG3 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.8-4.2 3.6=100 HG2 LYS 49 + HE2 LYS 49 OK 33 33 100 100 2.1-3.9 3.6=100 HG2 LYS 49 + HE3 LYS 49 OK 33 33 100 100 2.1-3.7 3.6=100 HD2 LYS 58 - HE3 LYS 60 far 9 58 15 - 3.3-14.6 HD2 LYS 58 - HE2 LYS 62 far 7 69 10 - 3.8-19.8 HD3 LYS 58 - HE2 LYS 62 far 7 69 10 - 5.1-20.7 HD2 LYS 58 - HE3 LYS 62 far 7 67 10 - 5.0-20.0 HD3 LYS 58 - HE2 LYS 60 far 6 58 10 - 5.2-14.7 HD3 LYS 58 - HE3 LYS 60 far 6 58 10 - 4.1-15.5 HD2 LYS 58 - HE2 LYS 60 far 3 58 5 - 4.9-14.0 HD3 LYS 58 - HE3 LYS 62 far 0 67 0 - 5.7-21.0 QB ALA 31 - HE2 LYS 49 far 0 51 0 - 8.4-12.7 HB3 LYS 27 - HE2 LYS 60 far 0 49 0 - 8.8-18.3 HB3 LYS 27 - HE3 LYS 49 far 0 49 0 - 8.8-16.2 HB3 LYS 27 - HE3 LYS 60 far 0 49 0 - 9.1-19.1 HG LEU 37 - HE3 LYS 39 far 0 92 0 - 9.2-11.4 HG LEU 37 - HE2 LYS 39 far 0 92 0 - 9.2-11.5 HB3 LYS 27 - HE3 LYS 62 far 0 57 0 - 9.2-22.3 QB ALA 31 - HE3 LYS 49 far 0 51 0 - 9.6-12.5 QB ALA 31 - HE2 LYS 39 far 0 95 0 - 10.0-12.5 Violated in 0 structures by 0.00 A. Peak 2071 from cnoeabs.peaks (1.69, 2.98, 41.78 ppm; 3.14 A): 16 out of 36 assignments used, quality = 1.00: HD3 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.2-2.5 3.0=100 HD2 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.4-3.0 3.0=100 * HD2 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.7-3.0 3.0=100 HD3 LYS 49 + HE2 LYS 49 OK 56 56 100 100 2.3-3.0 3.0=100 HD3 LYS 49 + HE3 LYS 49 OK 56 56 100 100 2.6-3.0 3.0=100 HD2 LYS 49 + HE3 LYS 49 OK 55 55 100 100 2.3-3.0 3.0=100 HD2 LYS 49 + HE2 LYS 49 OK 55 55 100 100 2.6-3.0 3.0=100 HD2 LYS 62 + HE2 LYS 62 OK 44 44 100 100 2.4-3.0 3.0=100 HD2 LYS 62 + HE3 LYS 62 OK 42 42 100 100 2.3-3.0 3.0=100 HD3 LYS 62 + HE2 LYS 62 OK 42 42 100 100 2.3-3.0 3.0=100 HD3 LYS 62 + HE3 LYS 62 OK 41 41 100 100 2.4-3.0 3.0=100 HD2 LYS 60 + HE2 LYS 60 OK 39 39 100 100 2.5-3.0 3.0=100 HD2 LYS 60 + HE3 LYS 60 OK 39 39 100 100 2.3-3.0 3.0=100 HD3 LYS 60 + HE2 LYS 60 OK 36 36 100 100 2.3-3.0 3.0=100 HD3 LYS 60 + HE3 LYS 60 OK 36 36 100 100 2.5-3.0 3.0=100 HG13 ILE 50 - HE2 LYS 49 poor 15 58 25 - 4.1-8.9 HG13 ILE 50 - HE3 LYS 49 far 3 58 5 - 4.0-8.8 HB2 ARG 56 - HE3 LYS 60 far 0 31 0 - 4.7-14.1 HD3 LYS 60 - HE2 LYS 62 far 0 44 0 - 4.8-13.3 HB2 ARG 56 - HE2 LYS 60 far 0 32 0 - 5.0-14.5 HD2 LYS 62 - HE3 LYS 60 far 0 36 0 - 5.0-14.6 HD2 LYS 60 - HE2 LYS 62 far 0 48 0 - 5.0-13.0 HD2 LYS 62 - HE2 LYS 60 far 0 36 0 - 5.2-14.4 HB2 ARG 56 - HE3 LYS 62 far 0 37 0 - 5.5-19.2 HD3 LYS 62 - HE2 LYS 60 far 0 35 0 - 6.0-14.0 HD2 LYS 60 - HE3 LYS 62 far 0 46 0 - 6.0-13.1 HD3 LYS 62 - HE3 LYS 60 far 0 34 0 - 6.0-13.3 HD3 LYS 60 - HE3 LYS 62 far 0 42 0 - 6.2-14.2 HD2 LYS 42 - HE3 LYS 39 far 0 68 0 - 6.4-10.1 HB2 ARG 56 - HE2 LYS 62 far 0 39 0 - 7.1-18.7 HB2 ARG 56 - HE3 LYS 49 far 0 31 0 - 7.2-13.6 HD2 LYS 42 - HE2 LYS 39 far 0 68 0 - 7.3-11.8 HB2 ARG 56 - HE2 LYS 49 far 0 31 0 - 8.9-13.8 HG2 LYS 22 - HE3 LYS 39 far 0 83 0 - 9.6-14.4 HG2 LYS 22 - HE2 LYS 39 far 0 83 0 - 9.9-13.9 Violated in 0 structures by 0.00 A. Peak 2072 from cnoeabs.peaks (1.69, 2.98, 41.78 ppm; 3.14 A): 16 out of 36 assignments used, quality = 1.00: HD3 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.2-2.5 3.0=100 HD2 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.4-3.0 3.0=100 * HD3 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.7-3.0 3.0=100 HD3 LYS 49 + HE2 LYS 49 OK 56 56 100 100 2.3-3.0 3.0=100 HD3 LYS 49 + HE3 LYS 49 OK 56 56 100 100 2.6-3.0 3.0=100 HD2 LYS 49 + HE3 LYS 49 OK 55 55 100 100 2.3-3.0 3.0=100 HD2 LYS 49 + HE2 LYS 49 OK 55 55 100 100 2.6-3.0 3.0=100 HD2 LYS 62 + HE2 LYS 62 OK 44 44 100 100 2.4-3.0 3.0=100 HD2 LYS 62 + HE3 LYS 62 OK 42 42 100 100 2.3-3.0 3.0=100 HD3 LYS 62 + HE2 LYS 62 OK 42 42 100 100 2.3-3.0 3.0=100 HD3 LYS 62 + HE3 LYS 62 OK 41 41 100 100 2.4-3.0 3.0=100 HD2 LYS 60 + HE2 LYS 60 OK 39 39 100 100 2.5-3.0 3.0=100 HD2 LYS 60 + HE3 LYS 60 OK 39 39 100 100 2.3-3.0 3.0=100 HD3 LYS 60 + HE2 LYS 60 OK 36 36 100 100 2.3-3.0 3.0=100 HD3 LYS 60 + HE3 LYS 60 OK 36 36 100 100 2.5-3.0 3.0=100 HG13 ILE 50 - HE2 LYS 49 poor 15 58 25 - 4.1-8.9 HG13 ILE 50 - HE3 LYS 49 far 3 58 5 - 4.0-8.8 HB2 ARG 56 - HE3 LYS 60 far 0 31 0 - 4.7-14.1 HD3 LYS 60 - HE2 LYS 62 far 0 44 0 - 4.8-13.3 HB2 ARG 56 - HE2 LYS 60 far 0 32 0 - 5.0-14.5 HD2 LYS 62 - HE3 LYS 60 far 0 36 0 - 5.0-14.6 HD2 LYS 60 - HE2 LYS 62 far 0 48 0 - 5.0-13.0 HD2 LYS 62 - HE2 LYS 60 far 0 36 0 - 5.2-14.4 HB2 ARG 56 - HE3 LYS 62 far 0 37 0 - 5.5-19.2 HD3 LYS 62 - HE2 LYS 60 far 0 35 0 - 6.0-14.0 HD2 LYS 60 - HE3 LYS 62 far 0 46 0 - 6.0-13.1 HD3 LYS 62 - HE3 LYS 60 far 0 34 0 - 6.0-13.3 HD3 LYS 60 - HE3 LYS 62 far 0 42 0 - 6.2-14.2 HD2 LYS 42 - HE3 LYS 39 far 0 68 0 - 6.4-10.1 HB2 ARG 56 - HE2 LYS 62 far 0 39 0 - 7.1-18.7 HB2 ARG 56 - HE3 LYS 49 far 0 31 0 - 7.2-13.6 HD2 LYS 42 - HE2 LYS 39 far 0 68 0 - 7.3-11.8 HB2 ARG 56 - HE2 LYS 49 far 0 31 0 - 8.9-13.8 HG2 LYS 22 - HE3 LYS 39 far 0 83 0 - 9.6-14.4 HG2 LYS 22 - HE2 LYS 39 far 0 83 0 - 9.9-13.9 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * H ASN 40 + HA ASN 40 OK 100 100 100 100 2.8-2.9 3.0=100 H HIS 36 - HA ASN 40 far 0 63 0 - 8.2-8.6 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.9-3.0 2.9=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.7-2.8 2.9=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.5-4.3 4.4=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.5-4.4 4.4=100 Violated in 0 structures by 0.00 A. Peak 2081 from cnoeabs.peaks (8.02, 2.76, 38.33 ppm; 3.52 A): 1 out of 3 assignments used, quality = 1.00: * H ASN 40 + HB2 ASN 40 OK 100 100 100 100 2.1-2.1 660=100, 2087/1.8=79...(10) H HIS 36 - HB2 ASN 40 far 0 63 0 - 6.5-6.7 H LYS 22 - HB2 ASN 40 far 0 96 0 - 7.8-9.9 Violated in 0 structures by 0.00 A. Peak 2082 from cnoeabs.peaks (4.37, 2.76, 38.33 ppm; 3.55 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 40 + HB2 ASN 40 OK 100 100 100 100 2.9-3.0 2.9=100 HA LYS 22 - HB2 ASN 40 far 0 81 0 - 8.4-10.6 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2085 from cnoeabs.peaks (7.29, 2.76, 38.33 ppm; 4.61 A): 1 out of 2 assignments used, quality = 1.00: * HD21 ASN 40 + HB2 ASN 40 OK 100 100 100 100 2.1-2.7 3.5=100 HD2 HIS 25 - HB2 ASN 40 far 0 90 0 - 9.4-15.8 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.4-3.7 3.5=100 Violated in 0 structures by 0.00 A. Peak 2087 from cnoeabs.peaks (8.02, 2.70, 38.33 ppm; 3.27 A): 1 out of 4 assignments used, quality = 1.00: * H ASN 40 + HB3 ASN 40 OK 100 100 100 100 3.3-3.5 661=99, 660/1.8=79...(9) H LYS 22 - HB3 ASN 40 far 0 96 0 - 7.6-9.9 H HIS 36 - HB3 ASN 40 far 0 63 0 - 8.2-8.5 H ILE 17 - HB3 ASN 40 far 0 99 0 - 9.4-10.8 Violated in 20 structures by 0.13 A. Peak 2088 from cnoeabs.peaks (4.37, 2.70, 38.33 ppm; 3.49 A): 1 out of 3 assignments used, quality = 1.00: * HA ASN 40 + HB3 ASN 40 OK 100 100 100 100 2.7-2.8 2.9=100 HA LYS 22 - HB3 ASN 40 far 0 81 0 - 8.8-11.1 HB2 SER 12 - HB3 ASN 40 far 0 100 0 - 9.7-12.0 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.0-3.6 3.5=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.8-4.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 2093 from cnoeabs.peaks (8.06, 4.34, 54.54 ppm; 3.67 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 41 + HA LEU 41 OK 100 100 100 100 2.9-2.9 3.0=100 H LEU 37 - HA LEU 41 far 0 97 0 - 8.4-8.9 H LYS 22 - HA LEU 41 far 0 65 0 - 9.6-10.8 Violated in 0 structures by 0.00 A. 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): 2 out of 3 assignments used, quality = 1.00: * HB2 LEU 41 + HA LEU 41 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 GLN 15 + HA LEU 41 OK 30 90 40 83 3.0-7.1 2130/2099=26...(10) HB3 LEU 43 - HA LEU 41 far 0 93 0 - 6.9-7.1 Violated in 0 structures by 0.00 A. Peak 2096 from cnoeabs.peaks (1.43, 4.34, 54.54 ppm; 3.34 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 41 + HA LEU 41 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 LYS 39 - HA LEU 41 far 0 100 0 - 7.1-7.5 Violated in 0 structures by 0.00 A. Peak 2097 from cnoeabs.peaks (1.87, 4.34, 54.54 ppm; 3.97 A): 1 out of 4 assignments used, quality = 1.00: * HG LEU 41 + HA LEU 41 OK 100 100 100 100 3.6-3.8 3.7=100 HB2 LYS 42 - HA LEU 41 far 0 76 0 - 5.7-5.8 HB ILE 17 - HA LEU 41 far 0 60 0 - 8.5-9.6 HG2 ARG 21 - HA LEU 41 far 0 99 0 - 9.6-12.9 Violated in 0 structures by 0.00 A. Peak 2098 from cnoeabs.peaks (0.75, 4.34, 54.54 ppm; 2.84 A): 1 out of 1 assignment used, quality = 0.99: * QD2 LEU 41 + HA LEU 41 OK 99 100 100 99 1.9-2.2 2122=95, 669/3.0=31...(13) Violated in 0 structures by 0.00 A. Peak 2099 from cnoeabs.peaks (0.72, 4.34, 54.54 ppm; 2.95 A): 1 out of 3 assignments used, quality = 0.97: * QD1 LEU 41 + HA LEU 41 OK 97 100 100 97 2.5-3.6 2.1/2122=63, 4.0=41...(15) HB2 LEU 19 - HA LEU 41 far 0 97 0 - 7.0-9.7 QD1 ILE 17 - HA LEU 41 far 0 85 0 - 8.7-10.0 Violated in 11 structures by 0.32 A. Peak 2100 from cnoeabs.peaks (8.06, 1.62, 42.54 ppm; 3.49 A): 1 out of 9 assignments used, quality = 1.00: * H LEU 41 + HB2 LEU 41 OK 100 100 100 100 2.4-3.6 666=100, 2107/1.8=64...(13) H LEU 37 - HB2 LEU 41 far 0 97 0 - 7.0-8.9 H GLN 47 - HB2 LEU 41 far 0 100 0 - 7.9-9.3 H ARG 55 - HB3 LEU 68 far 0 60 0 - 8.3-27.1 H ARG 55 - HB2 LEU 68 far 0 44 0 - 8.5-28.2 H LYS 22 - HB2 LEU 41 far 0 65 0 - 8.7-10.3 H ARG 55 - HB3 LEU 64 far 0 80 0 - 9.0-24.0 H GLN 53 - HB3 LEU 64 far 0 69 0 - 9.5-26.3 H GLN 53 - HB3 LEU 68 far 0 50 0 - 9.7-28.0 Violated in 3 structures by 0.02 A. Peak 2101 from cnoeabs.peaks (4.34, 1.62, 42.54 ppm; 3.47 A): 3 out of 13 assignments used, quality = 1.00: * HA LEU 41 + HB2 LEU 41 OK 100 100 100 100 2.4-3.0 3.0=100 HA LEU 68 + HB3 LEU 68 OK 50 50 100 100 2.3-3.0 3.0=100 HA LEU 68 + HB2 LEU 68 OK 37 37 100 100 2.3-3.0 3.0=100 HA GLN 63 - HB3 LEU 64 poor 19 62 40 77 4.3-6.3 344/3.8=31, ~4693=25...(13) HA GLU 67 - HB2 LEU 68 poor 15 31 50 - 4.0-5.8 HA GLU 67 - HB3 LEU 68 poor 13 43 30 - 4.4-6.5 HA ASN 54 - HB3 LEU 64 far 0 85 0 - 6.8-24.0 HA ASN 54 - HB3 LEU 68 far 0 64 0 - 6.9-27.6 HA ASN 54 - HB2 LEU 68 far 0 48 0 - 7.0-28.8 HA GLU 67 - HB3 LEU 64 far 0 59 0 - 7.1-12.2 HA HIS 36 - HB2 LEU 41 far 0 76 0 - 8.5-10.2 HA LEU 68 - HB3 LEU 64 far 0 69 0 - 9.0-14.9 HA LYS 22 - HB2 LEU 41 far 0 97 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 2102 from cnoeabs.peaks (1.62, 1.62, 42.54 ppm; diagonal): 4 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 20 assignments used, quality = 1.00: * HB3 LEU 41 + HB2 LEU 41 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 LYS 62 - HB3 LEU 64 far 0 95 0 - 4.4-11.2 HG2 LYS 62 - HB3 LEU 64 far 0 95 0 - 5.2-10.4 HG3 LYS 58 - HB2 LEU 68 far 0 31 0 - 5.6-26.5 HG2 LYS 62 - HB3 LEU 68 far 0 74 0 - 6.9-20.3 HG3 LYS 58 - HB3 LEU 68 far 0 43 0 - 7.0-25.3 HG2 LYS 39 - HB2 LEU 41 far 0 100 0 - 7.2-8.8 HG2 LYS 62 - HB2 LEU 68 far 0 56 0 - 7.6-21.6 HG3 LYS 62 - HB3 LEU 68 far 0 74 0 - 7.6-21.0 HG3 LYS 58 - HB3 LEU 64 far 0 59 0 - 7.8-20.6 HG3 LYS 62 - HB2 LEU 68 far 0 56 0 - 8.0-22.2 HB2 LYS 27 - HB3 LEU 68 far 0 72 0 - 8.3-27.0 HG3 LYS 60 - HB3 LEU 64 far 0 96 0 - 8.6-16.8 HG3 LYS 60 - HB3 LEU 68 far 0 76 0 - 8.6-23.2 HG3 ARG 56 - HB3 LEU 64 far 0 62 0 - 8.9-20.9 HG2 LYS 60 - HB3 LEU 64 far 0 96 0 - 8.9-18.1 HB2 LYS 27 - HB2 LEU 68 far 0 54 0 - 8.9-27.5 HG2 LYS 60 - HB3 LEU 68 far 0 76 0 - 9.2-23.7 HG3 ARG 56 - HB3 LEU 68 far 0 45 0 - 9.6-25.1 HG3 LYS 60 - HB2 LEU 68 far 0 57 0 - 9.8-23.6 Violated in 0 structures by 0.00 A. Peak 2104 from cnoeabs.peaks (1.87, 1.62, 42.54 ppm; 3.76 A): 1 out of 6 assignments used, quality = 1.00: * HG LEU 41 + HB2 LEU 41 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LYS 42 - HB2 LEU 41 far 0 76 0 - 6.3-6.7 HG2 ARG 21 - HB3 LEU 64 far 0 93 0 - 7.1-31.2 HB ILE 17 - HB3 LEU 64 far 0 54 0 - 8.0-34.1 HB ILE 17 - HB2 LEU 41 far 0 60 0 - 8.8-10.7 HG2 ARG 21 - HB2 LEU 41 far 0 99 0 - 9.9-13.3 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.6-3.1 3.1=100 Violated in 0 structures by 0.00 A. Peak 2106 from cnoeabs.peaks (0.72, 1.62, 42.54 ppm; 3.27 A): 1 out of 10 assignments used, quality = 1.00: * QD1 LEU 41 + HB2 LEU 41 OK 100 100 100 100 2.0-3.1 3.1=100 QD1 ILE 17 - HB3 LEU 64 far 0 78 0 - 4.9-28.8 HB2 LEU 19 - HB2 LEU 41 far 0 97 0 - 6.2-8.6 QD1 ILE 17 - HB3 LEU 68 far 0 58 0 - 7.0-29.5 HB2 LEU 19 - HB3 LEU 64 far 0 91 0 - 7.2-30.2 QD1 ILE 17 - HB2 LEU 68 far 0 42 0 - 7.4-29.9 HB2 LEU 19 - HB3 LEU 68 far 0 71 0 - 9.2-31.2 QD1 ILE 17 - HB2 LEU 41 far 0 85 0 - 9.4-11.1 QD1 LEU 41 - HB2 LEU 68 far 0 57 0 - 9.5-31.3 QD1 LEU 41 - HB3 LEU 64 far 0 96 0 - 9.7-30.6 Violated in 0 structures by 0.00 A. Peak 2107 from cnoeabs.peaks (8.06, 1.43, 42.54 ppm; 3.80 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 41 + HB3 LEU 41 OK 100 100 100 100 2.3-3.6 666/1.8=85, 4.0=85...(14) H LEU 37 - HB3 LEU 41 far 0 97 0 - 7.0-8.9 H GLN 47 - HB3 LEU 41 far 0 100 0 - 8.3-9.5 H LYS 22 - HB3 LEU 41 far 0 65 0 - 8.7-10.3 Violated in 0 structures by 0.00 A. Peak 2108 from cnoeabs.peaks (4.34, 1.43, 42.54 ppm; 3.48 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 41 + HB3 LEU 41 OK 100 100 100 100 2.4-3.0 3.0=100 HA HIS 36 - HB3 LEU 41 far 0 76 0 - 8.5-10.3 Violated in 0 structures by 0.00 A. Peak 2109 from cnoeabs.peaks (1.62, 1.43, 42.54 ppm; 2.79 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LEU 41 + HB3 LEU 41 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLN 15 - HB3 LEU 41 far 9 90 10 - 3.3-7.2 HB3 LEU 43 - HB3 LEU 41 far 0 93 0 - 4.6-5.3 HG3 ARG 21 - HB3 LEU 41 far 0 95 0 - 9.8-13.0 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * HG LEU 41 + HB3 LEU 41 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LYS 42 - HB3 LEU 41 far 0 76 0 - 6.3-6.7 HB ILE 17 - HB3 LEU 41 far 0 60 0 - 8.4-10.2 HG2 ARG 21 - HB3 LEU 41 far 0 99 0 - 9.7-12.8 Violated in 0 structures by 0.00 A. Peak 2112 from cnoeabs.peaks (0.75, 1.43, 42.54 ppm; 3.30 A): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 41 + HB3 LEU 41 OK 100 100 100 100 2.6-3.1 3.1=100 HG LEU 29 - HB3 LEU 41 far 0 99 0 - 9.8-12.7 Violated in 0 structures by 0.00 A. Peak 2113 from cnoeabs.peaks (0.72, 1.43, 42.54 ppm; 3.20 A): 1 out of 4 assignments used, quality = 1.00: * QD1 LEU 41 + HB3 LEU 41 OK 100 100 100 100 2.0-3.1 3.1=100 HB2 LEU 19 - HB3 LEU 41 far 0 97 0 - 5.6-8.0 QD1 ILE 17 - HB3 LEU 41 far 0 85 0 - 8.9-10.8 HG LEU 29 - HB3 LEU 41 far 0 78 0 - 9.8-12.7 Violated in 0 structures by 0.00 A. Peak 2114 from cnoeabs.peaks (8.06, 1.87, 26.77 ppm; 3.71 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 41 + HG LEU 41 OK 100 100 100 100 2.5-3.7 668=100, 670/2.1=68...(16) H LEU 37 - HG LEU 41 far 0 97 0 - 5.5-7.3 H LYS 22 - HG LEU 41 far 0 65 0 - 6.5-8.2 H GLN 47 - HG LEU 41 far 0 100 0 - 8.9-10.1 Violated in 1 structures by 0.00 A. Peak 2115 from cnoeabs.peaks (4.34, 1.87, 26.77 ppm; 4.21 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 41 + HG LEU 41 OK 100 100 100 100 3.6-3.8 3.7=100 HA HIS 36 - HG LEU 41 far 0 76 0 - 7.5-9.3 HA LYS 22 - HG LEU 41 far 0 97 0 - 8.1-10.0 HA LYS 49 - HG LEU 41 far 0 96 0 - 9.8-11.6 Violated in 0 structures by 0.00 A. Peak 2116 from cnoeabs.peaks (1.62, 1.87, 26.77 ppm; 3.47 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LEU 41 + HG LEU 41 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLN 15 - HG LEU 41 far 0 90 0 - 5.4-8.0 HB3 LEU 43 - HG LEU 41 far 0 93 0 - 6.2-6.6 HG3 ARG 21 - HG LEU 41 far 0 95 0 - 7.6-11.7 Violated in 0 structures by 0.00 A. Peak 2117 from cnoeabs.peaks (1.43, 1.87, 26.77 ppm; 4.21 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 41 + HG LEU 41 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 39 - HG LEU 41 far 0 100 0 - 7.1-9.3 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * QD2 LEU 41 + HG LEU 41 OK 100 100 100 100 2.1-2.1 2.1=100 HG LEU 29 - HG LEU 41 far 0 99 0 - 8.9-10.5 Violated in 0 structures by 0.00 A. Peak 2120 from cnoeabs.peaks (0.72, 1.87, 26.77 ppm; 3.11 A): 1 out of 4 assignments used, quality = 1.00: * QD1 LEU 41 + HG LEU 41 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 19 - HG LEU 41 far 5 97 5 - 4.3-7.7 QD1 ILE 17 - HG LEU 41 far 0 85 0 - 8.5-10.2 HG LEU 29 - HG LEU 41 far 0 78 0 - 8.9-10.5 Violated in 0 structures by 0.00 A. Peak 2121 from cnoeabs.peaks (8.06, 0.75, 22.71 ppm; 4.04 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 41 + QD2 LEU 41 OK 100 100 100 100 2.0-2.6 669=100, 668/2.1=84...(17) H LEU 37 - QD2 LEU 41 poor 19 97 20 - 5.4-6.4 H LYS 22 - QD2 LEU 41 far 10 65 15 - 5.5-6.8 H GLN 47 - QD2 LEU 41 far 0 100 0 - 9.3-9.9 Violated in 0 structures by 0.00 A. Peak 2122 from cnoeabs.peaks (4.34, 0.75, 22.71 ppm; 2.89 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 41 + QD2 LEU 41 OK 100 100 100 100 1.9-2.2 2098=100, 2099/2.1=59...(14) HA HIS 36 - QD2 LEU 41 far 0 76 0 - 6.4-7.3 HA LYS 22 - QD2 LEU 41 far 0 97 0 - 6.7-8.4 HA LYS 49 - QD2 LEU 41 far 0 96 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 2123 from cnoeabs.peaks (1.62, 0.75, 22.71 ppm; 3.75 A): 2 out of 4 assignments used, quality = 1.00: * HB2 LEU 41 + QD2 LEU 41 OK 100 100 100 100 2.6-3.1 3.1=100 HB3 GLN 15 + QD2 LEU 41 OK 36 90 40 99 2.8-6.5 2.9/4446=58, 2130/2.1=35...(21) HG3 ARG 21 - QD2 LEU 41 far 0 95 0 - 6.4-8.8 HB3 LEU 43 - QD2 LEU 41 far 0 93 0 - 6.5-6.9 Violated in 0 structures by 0.00 A. Peak 2124 from cnoeabs.peaks (1.43, 0.75, 22.71 ppm; 3.55 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 41 + QD2 LEU 41 OK 100 100 100 100 2.6-3.1 3.1=100 HG2 LYS 39 - QD2 LEU 41 far 0 100 0 - 5.7-6.5 Violated in 0 structures by 0.00 A. Peak 2125 from cnoeabs.peaks (1.87, 0.75, 22.71 ppm; 3.20 A): 1 out of 6 assignments used, quality = 1.00: * HG LEU 41 + QD2 LEU 41 OK 100 100 100 100 2.1-2.1 2.1=100 HB ILE 17 - QD2 LEU 41 far 0 60 0 - 5.7-6.9 HG2 ARG 21 - QD2 LEU 41 far 0 99 0 - 5.9-8.4 HB2 LYS 42 - QD2 LEU 41 far 0 76 0 - 6.7-6.9 HB2 GLU 33 - QD2 LEU 41 far 0 90 0 - 8.9-10.2 HB3 ARG 34 - QD2 LEU 41 far 0 99 0 - 9.3-10.2 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * QD1 LEU 41 + QD2 LEU 41 OK 100 100 100 100 2.0-2.1 2.1=100 HB2 LEU 19 - QD2 LEU 41 far 0 97 0 - 4.8-7.0 QD1 ILE 17 - QD2 LEU 41 far 0 85 0 - 6.4-7.6 HG LEU 29 - QD2 LEU 41 far 0 78 0 - 8.3-9.9 Violated in 0 structures by 0.00 A. Peak 2128 from cnoeabs.peaks (8.06, 0.72, 26.10 ppm; 4.21 A): 1 out of 6 assignments used, quality = 1.00: * H LEU 41 + QD1 LEU 41 OK 100 100 100 100 4.0-4.3 670=100, 668/2.1=88...(20) H LYS 22 - QD1 LEU 41 far 10 65 15 - 5.2-6.9 H LEU 37 - QD1 LEU 41 far 0 97 0 - 6.1-7.9 H GLN 47 - QD1 LEU 41 far 0 100 0 - 7.2-9.6 H GLN 53 - QD1 LEU 41 far 0 76 0 - 8.8-12.1 H ARG 55 - QD1 LEU 41 far 0 87 0 - 9.7-12.1 Violated in 2 structures by 0.00 A. Peak 2129 from cnoeabs.peaks (4.34, 0.72, 26.10 ppm; 4.39 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 41 + QD1 LEU 41 OK 100 100 100 100 2.5-3.6 4.0=100 HA LYS 22 - QD1 LEU 41 far 0 97 0 - 7.0-8.8 HA LYS 49 - QD1 LEU 41 far 0 96 0 - 7.6-11.3 HA HIS 36 - QD1 LEU 41 far 0 76 0 - 8.2-9.3 Violated in 0 structures by 0.00 A. Peak 2130 from cnoeabs.peaks (1.62, 0.72, 26.10 ppm; 3.51 A): 2 out of 8 assignments used, quality = 1.00: * HB2 LEU 41 + QD1 LEU 41 OK 100 100 100 100 2.0-3.1 3.1=100 HB3 GLN 15 + QD1 LEU 41 OK 88 90 100 97 2.6-5.0 2.9/4454=34, ~4446=28...(23) HB3 LEU 43 - QD1 LEU 41 far 0 93 0 - 5.1-6.4 HG3 ARG 21 - QD1 LEU 41 far 0 95 0 - 6.3-8.8 HG LEU 68 - QD1 LEU 41 far 0 100 0 - 9.4-30.4 HB2 LEU 68 - QD1 LEU 41 far 0 85 0 - 9.5-31.3 HB3 LEU 64 - QD1 LEU 41 far 0 100 0 - 9.7-30.6 HG3 ARG 61 - QD1 LEU 41 far 0 78 0 - 9.8-22.7 Violated in 0 structures by 0.00 A. Peak 2131 from cnoeabs.peaks (1.43, 0.72, 26.10 ppm; 3.56 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 41 + QD1 LEU 41 OK 100 100 100 100 2.0-3.1 3.1=100 HG2 LYS 39 - QD1 LEU 41 far 0 100 0 - 7.9-8.5 HG2 LYS 62 - QD1 LEU 41 far 0 99 0 - 9.2-24.2 HG3 LYS 49 - QD1 LEU 41 far 0 60 0 - 9.5-13.2 Violated in 0 structures by 0.00 A. Peak 2132 from cnoeabs.peaks (1.87, 0.72, 26.10 ppm; 3.34 A): 1 out of 7 assignments used, quality = 1.00: * HG LEU 41 + QD1 LEU 41 OK 100 100 100 100 2.1-2.1 2.1=100 HB ILE 17 - QD1 LEU 41 far 0 60 0 - 4.9-6.7 HG2 ARG 21 - QD1 LEU 41 far 0 99 0 - 5.9-8.8 HB2 LYS 42 - QD1 LEU 41 far 0 76 0 - 6.9-7.6 HB3 ARG 34 - QD1 LEU 41 far 0 99 0 - 8.3-11.4 HB3 LYS 49 - QD1 LEU 41 far 0 93 0 - 8.5-12.0 HB2 GLU 33 - QD1 LEU 41 far 0 90 0 - 8.8-11.9 Violated in 0 structures by 0.00 A. Peak 2133 from cnoeabs.peaks (0.75, 0.72, 26.10 ppm; 2.40 A): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 41 + QD1 LEU 41 OK 100 100 100 100 2.0-2.1 2.1=100 HG LEU 29 - QD1 LEU 41 far 0 99 0 - 7.6-10.5 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-2.3 3.0=100 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HB2 LYS 42 + HA LYS 42 OK 100 100 100 100 2.3-2.6 3.0=100 HG LEU 41 - HA LYS 42 far 0 76 0 - 6.7-7.6 Violated in 0 structures by 0.00 A. Peak 2138 from cnoeabs.peaks (2.15, 3.98, 57.60 ppm; 3.50 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LYS 42 + HA LYS 42 OK 100 100 100 100 3.0-3.0 3.0=100 HB VAL 48 - HA LYS 42 far 0 97 0 - 9.7-11.1 Violated in 0 structures by 0.00 A. Peak 2139 from cnoeabs.peaks (1.35, 3.98, 57.60 ppm; 3.18 A): 2 out of 3 assignments used, quality = 1.00: * HG2 LYS 42 + HA LYS 42 OK 99 100 100 99 3.2-3.6 3.9=55, 1.8/2176=32...(21) HG3 LYS 42 + HA LYS 42 OK 98 100 100 98 2.3-3.9 3.9=55, 1.8/2166=32...(21) QB ALA 38 - HA LYS 42 far 0 97 0 - 5.1-5.5 Violated in 1 structures by 0.00 A. Peak 2140 from cnoeabs.peaks (1.35, 3.98, 57.60 ppm; 3.18 A): 2 out of 3 assignments used, quality = 1.00: HG2 LYS 42 + HA LYS 42 OK 99 100 100 99 3.2-3.6 3.9=55, 1.8/2176=32...(21) * HG3 LYS 42 + HA LYS 42 OK 98 100 100 98 2.3-3.9 3.9=55, 1.8/2166=32...(21) QB ALA 38 - HA LYS 42 far 0 97 0 - 5.1-5.5 Violated in 1 structures by 0.00 A. Peak 2141 from cnoeabs.peaks (1.72, 3.98, 57.60 ppm; 4.40 A): 1 out of 4 assignments used, quality = 1.00: * HD2 LYS 42 + HA LYS 42 OK 100 100 100 100 2.4-4.4 2186=96, 1.8/2196=79...(18) HD2 LYS 39 - HA LYS 42 far 0 68 0 - 7.3-8.2 HD3 LYS 39 - HA LYS 42 far 0 68 0 - 7.5-8.6 HB3 LEU 37 - HA LYS 42 far 0 96 0 - 8.7-9.6 Violated in 1 structures by 0.00 A. Peak 2142 from cnoeabs.peaks (1.66, 3.98, 57.60 ppm; 4.78 A): 1 out of 3 assignments used, quality = 0.99: * HD3 LYS 42 + HA LYS 42 OK 99 100 100 99 2.0-3.6 4.8=99 HB3 GLN 15 - HA LYS 42 far 0 65 0 - 7.6-10.6 HB2 LEU 37 - HA LYS 42 far 0 100 0 - 8.7-10.6 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.9-4.1 4.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-2.6 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2149 from cnoeabs.peaks (1.35, 1.89, 28.29 ppm; 3.14 A): 2 out of 3 assignments used, quality = 1.00: * HG2 LYS 42 + HB2 LYS 42 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 LYS 42 + HB2 LYS 42 OK 100 100 100 100 2.4-2.7 2.9=100 QB ALA 38 - HB2 LYS 42 far 0 97 0 - 6.8-7.4 Violated in 0 structures by 0.00 A. Peak 2150 from cnoeabs.peaks (1.35, 1.89, 28.29 ppm; 3.14 A): 2 out of 3 assignments used, quality = 1.00: HG2 LYS 42 + HB2 LYS 42 OK 100 100 100 100 2.3-3.0 2.9=100 * HG3 LYS 42 + HB2 LYS 42 OK 100 100 100 100 2.4-2.7 2.9=100 QB ALA 38 - HB2 LYS 42 far 0 97 0 - 6.8-7.4 Violated in 0 structures by 0.00 A. Peak 2151 from cnoeabs.peaks (1.72, 1.89, 28.29 ppm; 3.95 A): 1 out of 3 assignments used, quality = 1.00: * HD2 LYS 42 + HB2 LYS 42 OK 100 100 100 100 2.5-3.8 3.8=100 HD2 LYS 39 - HB2 LYS 42 far 0 68 0 - 9.2-10.4 HD3 LYS 39 - HB2 LYS 42 far 0 68 0 - 9.5-10.9 Violated in 0 structures by 0.00 A. Peak 2152 from cnoeabs.peaks (1.66, 1.89, 28.29 ppm; 4.35 A): 1 out of 2 assignments used, quality = 1.00: * HD3 LYS 42 + HB2 LYS 42 OK 100 100 100 100 2.4-3.9 3.8=100 HB3 GLN 15 - HB2 LYS 42 far 0 65 0 - 7.4-10.5 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.5-3.7 4.0=100 Violated in 0 structures by 0.00 A. Peak 2156 from cnoeabs.peaks (3.98, 2.15, 28.29 ppm; 3.46 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 42 + HB3 LYS 42 OK 100 100 100 100 3.0-3.0 3.0=100 HA GLN 47 - HB2 GLN 53 far 0 60 0 - 7.4-8.7 Violated in 0 structures by 0.00 A. Peak 2157 from cnoeabs.peaks (1.89, 2.15, 28.29 ppm; 2.59 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LYS 42 + HB3 LYS 42 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 49 - HB2 GLN 53 far 0 81 0 - 6.1-7.5 HG LEU 41 - HB3 LYS 42 far 0 76 0 - 7.0-7.5 Violated in 0 structures by 0.00 A. 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 5 assignments used, quality = 1.00: HG3 LYS 42 + HB3 LYS 42 OK 100 100 100 100 2.4-3.0 2.9=100 * HG2 LYS 42 + HB3 LYS 42 OK 100 100 100 100 2.4-2.6 2.9=100 QB ALA 38 - HB3 LYS 42 far 0 97 0 - 6.8-7.2 HG2 LYS 58 - HB2 GLN 53 far 0 84 0 - 8.0-13.3 HD3 LYS 27 - HB2 GLN 53 far 0 62 0 - 8.9-12.7 Violated in 0 structures by 0.00 A. Peak 2160 from cnoeabs.peaks (1.35, 2.15, 28.29 ppm; 3.20 A): 2 out of 5 assignments used, quality = 1.00: * HG3 LYS 42 + HB3 LYS 42 OK 100 100 100 100 2.4-3.0 2.9=100 HG2 LYS 42 + HB3 LYS 42 OK 100 100 100 100 2.4-2.6 2.9=100 QB ALA 38 - HB3 LYS 42 far 0 97 0 - 6.8-7.2 HG2 LYS 58 - HB2 GLN 53 far 0 84 0 - 8.0-13.3 HD3 LYS 27 - HB2 GLN 53 far 0 62 0 - 8.9-12.7 Violated in 0 structures by 0.00 A. Peak 2161 from cnoeabs.peaks (1.72, 2.15, 28.29 ppm; 3.82 A): 1 out of 7 assignments used, quality = 1.00: * HD2 LYS 42 + HB3 LYS 42 OK 100 100 100 100 2.2-4.2 3.8=98, 1.8/2198=76...(19) HG13 ILE 50 - HB2 GLN 53 far 7 47 15 - 4.9-6.2 HD2 LYS 49 - HB2 GLN 53 poor 6 70 35 24 3.3-8.2 3.0/2423=5, 3.0/2413=5...(9) HD3 LYS 49 - HB2 GLN 53 poor 5 68 30 22 3.1-8.4 3.0/2423=5, 3.0/2413=5...(8) HB2 ARG 56 - HB2 GLN 53 far 0 85 0 - 5.5-7.8 HB3 LYS 58 - HB2 GLN 53 far 0 79 0 - 8.9-11.6 HB3 LEU 37 - HB3 LYS 42 far 0 96 0 - 9.8-11.1 Violated in 2 structures by 0.03 A. Peak 2162 from cnoeabs.peaks (1.66, 2.15, 28.29 ppm; 3.97 A): 1 out of 7 assignments used, quality = 1.00: * HD3 LYS 42 + HB3 LYS 42 OK 100 100 100 100 2.8-3.8 3.8=100 HB3 GLN 15 - HB3 LYS 42 far 0 65 0 - 5.8-8.7 HG LEU 64 - HB2 GLN 53 far 0 62 0 - 6.5-26.1 HB2 LEU 64 - HB2 GLN 53 far 0 85 0 - 6.8-27.2 HB2 LEU 68 - HB2 GLN 53 far 0 56 0 - 8.8-29.8 HB3 LEU 68 - HB2 GLN 53 far 0 45 0 - 9.5-28.7 HB2 LEU 37 - HB3 LYS 42 far 0 100 0 - 9.9-11.8 Violated in 0 structures by 0.00 A. Peak 2165 from cnoeabs.peaks (7.90, 1.35, 24.91 ppm; 3.82 A): 2 out of 3 assignments used, quality = 1.00: * H LYS 42 + HG2 LYS 42 OK 100 100 100 100 2.8-4.6 672/3.9=59, 4.9=49...(18) H LYS 42 + HG3 LYS 42 OK 100 100 100 100 3.0-4.5 672/3.9=59, 4.9=49...(17) H GLY 69 - HG2 LYS 58 far 0 98 0 - 8.3-26.1 Violated in 0 structures by 0.00 A. Peak 2166 from cnoeabs.peaks (3.98, 1.35, 24.91 ppm; 3.33 A): 2 out of 2 assignments used, quality = 1.00: * HA LYS 42 + HG2 LYS 42 OK 99 100 100 99 3.2-3.6 3.9=63, 2140/1.8=37...(21) HA LYS 42 + HG3 LYS 42 OK 99 100 100 99 2.3-3.9 3.9=63, 2140/1.8=37...(21) Violated in 0 structures by 0.00 A. Peak 2167 from cnoeabs.peaks (1.89, 1.35, 24.91 ppm; 3.24 A): 2 out of 4 assignments used, quality = 1.00: * HB2 LYS 42 + HG2 LYS 42 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 LYS 42 + HG3 LYS 42 OK 100 100 100 100 2.4-2.7 2.9=100 HG LEU 41 - HG2 LYS 42 far 0 76 0 - 6.3-9.2 HG LEU 41 - HG3 LYS 42 far 0 76 0 - 8.0-8.5 Violated in 0 structures by 0.00 A. Peak 2168 from cnoeabs.peaks (2.15, 1.35, 24.91 ppm; 3.26 A): 2 out of 3 assignments used, quality = 1.00: HB3 LYS 42 + HG3 LYS 42 OK 100 100 100 100 2.4-3.0 2.9=100 * HB3 LYS 42 + HG2 LYS 42 OK 100 100 100 100 2.4-2.6 2.9=100 HB2 GLN 53 - HG2 LYS 58 far 0 98 0 - 8.0-13.3 Violated in 0 structures by 0.00 A. 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 10 assignments used, quality = 1.00: * HD2 LYS 42 + HG2 LYS 42 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 42 + HG3 LYS 42 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LYS 58 + HG2 LYS 58 OK 93 93 100 100 2.4-3.0 2.8=100 HB2 ARG 56 - HG2 LYS 58 far 0 98 0 - 6.7-10.0 HB3 ARG 61 - HG2 LYS 58 far 0 96 0 - 7.1-12.8 HD2 LYS 39 - HG3 LYS 42 far 0 68 0 - 8.0-11.1 HD3 LYS 39 - HG3 LYS 42 far 0 68 0 - 8.8-11.2 HD2 LYS 39 - HG2 LYS 42 far 0 68 0 - 8.9-10.6 HB3 LEU 37 - HG2 LYS 42 far 0 96 0 - 8.9-12.5 HD3 LYS 39 - HG2 LYS 42 far 0 68 0 - 9.3-10.9 Violated in 0 structures by 0.00 A. Peak 2172 from cnoeabs.peaks (1.66, 1.35, 24.91 ppm; 3.45 A): 2 out of 12 assignments used, quality = 1.00: HD3 LYS 42 + HG3 LYS 42 OK 100 100 100 100 2.3-3.0 3.0=100 * HD3 LYS 42 + HG2 LYS 42 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 62 - HG2 LYS 58 far 5 95 5 - 4.7-17.2 HB3 GLN 15 - HG2 LYS 42 far 0 65 0 - 5.2-9.0 HD2 LYS 62 - HG2 LYS 58 far 0 94 0 - 5.2-17.1 HD3 LYS 60 - HG2 LYS 58 far 0 94 0 - 5.2-12.9 HD2 LYS 60 - HG2 LYS 58 far 0 92 0 - 5.3-12.9 HB3 GLN 15 - HG3 LYS 42 far 0 65 0 - 6.1-10.0 HB3 LEU 68 - HG2 LYS 58 far 0 56 0 - 6.8-23.8 HB2 LEU 68 - HG2 LYS 58 far 0 69 0 - 6.9-24.9 HB2 LEU 64 - HG2 LYS 58 far 0 98 0 - 8.6-21.0 HB2 LEU 37 - HG2 LYS 42 far 0 100 0 - 9.2-13.0 Violated in 0 structures by 0.00 A. Peak 2173 from cnoeabs.peaks (3.02, 1.35, 24.91 ppm; 3.70 A): 4 out of 4 assignments used, quality = 1.00: HE2 LYS 42 + HG3 LYS 42 OK 100 100 100 100 2.2-3.8 3.6=100 * HE2 LYS 42 + HG2 LYS 42 OK 100 100 100 100 2.2-3.7 3.6=100 HE3 LYS 42 + HG2 LYS 42 OK 100 100 100 100 2.3-4.2 3.6=100 HE3 LYS 42 + HG3 LYS 42 OK 100 100 100 100 2.4-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 2174 from cnoeabs.peaks (3.02, 1.35, 24.91 ppm; 3.70 A): 4 out of 4 assignments used, quality = 1.00: HE2 LYS 42 + HG3 LYS 42 OK 100 100 100 100 2.2-3.8 3.6=100 HE2 LYS 42 + HG2 LYS 42 OK 100 100 100 100 2.2-3.7 3.6=100 * HE3 LYS 42 + HG2 LYS 42 OK 100 100 100 100 2.3-4.2 3.6=100 HE3 LYS 42 + HG3 LYS 42 OK 100 100 100 100 2.4-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 2175 from cnoeabs.peaks (7.90, 1.35, 24.91 ppm; 3.82 A): 2 out of 3 assignments used, quality = 1.00: H LYS 42 + HG2 LYS 42 OK 100 100 100 100 2.8-4.6 672/3.9=59, 4.9=49...(18) * H LYS 42 + HG3 LYS 42 OK 100 100 100 100 3.0-4.5 672/3.9=59, 4.9=49...(17) H GLY 69 - HG2 LYS 58 far 0 98 0 - 8.3-26.1 Violated in 0 structures by 0.00 A. Peak 2176 from cnoeabs.peaks (3.98, 1.35, 24.91 ppm; 3.33 A): 2 out of 2 assignments used, quality = 1.00: HA LYS 42 + HG2 LYS 42 OK 99 100 100 99 3.2-3.6 3.9=63, 2140/1.8=37...(21) * HA LYS 42 + HG3 LYS 42 OK 99 100 100 99 2.3-3.9 3.9=63, 2140/1.8=37...(21) Violated in 0 structures by 0.00 A. Peak 2177 from cnoeabs.peaks (1.89, 1.35, 24.91 ppm; 3.24 A): 2 out of 4 assignments used, quality = 1.00: HB2 LYS 42 + HG2 LYS 42 OK 100 100 100 100 2.3-3.0 2.9=100 * HB2 LYS 42 + HG3 LYS 42 OK 100 100 100 100 2.4-2.7 2.9=100 HG LEU 41 - HG2 LYS 42 far 0 76 0 - 6.3-9.2 HG LEU 41 - HG3 LYS 42 far 0 76 0 - 8.0-8.5 Violated in 0 structures by 0.00 A. Peak 2178 from cnoeabs.peaks (2.15, 1.35, 24.91 ppm; 3.26 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LYS 42 + HG3 LYS 42 OK 100 100 100 100 2.4-3.0 2.9=100 HB3 LYS 42 + HG2 LYS 42 OK 100 100 100 100 2.4-2.6 2.9=100 HB2 GLN 53 - HG2 LYS 58 far 0 98 0 - 8.0-13.3 Violated in 0 structures by 0.00 A. 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 10 assignments used, quality = 1.00: HD2 LYS 42 + HG2 LYS 42 OK 100 100 100 100 2.2-3.0 3.0=100 * HD2 LYS 42 + HG3 LYS 42 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LYS 58 + HG2 LYS 58 OK 93 93 100 100 2.4-3.0 2.8=100 HB2 ARG 56 - HG2 LYS 58 far 0 98 0 - 6.7-10.0 HB3 ARG 61 - HG2 LYS 58 far 0 96 0 - 7.1-12.8 HD2 LYS 39 - HG3 LYS 42 far 0 68 0 - 8.0-11.1 HD3 LYS 39 - HG3 LYS 42 far 0 68 0 - 8.8-11.2 HD2 LYS 39 - HG2 LYS 42 far 0 68 0 - 8.9-10.6 HB3 LEU 37 - HG2 LYS 42 far 0 96 0 - 8.9-12.5 HD3 LYS 39 - HG2 LYS 42 far 0 68 0 - 9.3-10.9 Violated in 0 structures by 0.00 A. Peak 2182 from cnoeabs.peaks (1.66, 1.35, 24.91 ppm; 3.45 A): 2 out of 12 assignments used, quality = 1.00: * HD3 LYS 42 + HG3 LYS 42 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 42 + HG2 LYS 42 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 62 - HG2 LYS 58 far 5 95 5 - 4.7-17.2 HB3 GLN 15 - HG2 LYS 42 far 0 65 0 - 5.2-9.0 HD2 LYS 62 - HG2 LYS 58 far 0 94 0 - 5.2-17.1 HD3 LYS 60 - HG2 LYS 58 far 0 94 0 - 5.2-12.9 HD2 LYS 60 - HG2 LYS 58 far 0 92 0 - 5.3-12.9 HB3 GLN 15 - HG3 LYS 42 far 0 65 0 - 6.1-10.0 HB3 LEU 68 - HG2 LYS 58 far 0 56 0 - 6.8-23.8 HB2 LEU 68 - HG2 LYS 58 far 0 69 0 - 6.9-24.9 HB2 LEU 64 - HG2 LYS 58 far 0 98 0 - 8.6-21.0 HB2 LEU 37 - HG2 LYS 42 far 0 100 0 - 9.2-13.0 Violated in 0 structures by 0.00 A. Peak 2183 from cnoeabs.peaks (3.02, 1.35, 24.91 ppm; 3.70 A): 4 out of 4 assignments used, quality = 1.00: * HE2 LYS 42 + HG3 LYS 42 OK 100 100 100 100 2.2-3.8 3.6=100 HE2 LYS 42 + HG2 LYS 42 OK 100 100 100 100 2.2-3.7 3.6=100 HE3 LYS 42 + HG2 LYS 42 OK 100 100 100 100 2.3-4.2 3.6=100 HE3 LYS 42 + HG3 LYS 42 OK 100 100 100 100 2.4-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 2184 from cnoeabs.peaks (3.02, 1.35, 24.91 ppm; 3.70 A): 4 out of 4 assignments used, quality = 1.00: HE2 LYS 42 + HG3 LYS 42 OK 100 100 100 100 2.2-3.8 3.6=100 HE2 LYS 42 + HG2 LYS 42 OK 100 100 100 100 2.2-3.7 3.6=100 HE3 LYS 42 + HG2 LYS 42 OK 100 100 100 100 2.3-4.2 3.6=100 * HE3 LYS 42 + HG3 LYS 42 OK 100 100 100 100 2.4-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 2186 from cnoeabs.peaks (3.98, 1.72, 29.04 ppm; 4.46 A): 1 out of 5 assignments used, quality = 1.00: * HA LYS 42 + HD2 LYS 42 OK 100 100 100 100 2.4-4.4 2141=100, 2196/1.8=81...(17) HA GLN 47 - HD2 LYS 49 far 4 26 15 - 5.1-9.0 HA GLN 47 - HD3 LYS 49 far 0 24 0 - 6.0-8.4 HA ALA 35 - HD2 LYS 42 far 0 100 0 - 9.6-12.6 HA ALA 35 - HD3 LYS 49 far 0 37 0 - 9.8-14.1 Violated in 0 structures by 0.00 A. Peak 2187 from cnoeabs.peaks (1.89, 1.72, 29.04 ppm; 3.88 A): 3 out of 4 assignments used, quality = 1.00: * HB2 LYS 42 + HD2 LYS 42 OK 100 100 100 100 2.5-3.8 3.8=100 HB3 LYS 49 + HD2 LYS 49 OK 37 37 100 100 2.1-3.7 3.7=100 HB3 LYS 49 + HD3 LYS 49 OK 35 35 100 100 2.0-4.2 3.7=100 HG LEU 41 - HD2 LYS 42 far 0 76 0 - 6.6-9.5 Violated in 0 structures by 0.00 A. Peak 2188 from cnoeabs.peaks (2.15, 1.72, 29.04 ppm; 4.03 A): 3 out of 7 assignments used, quality = 1.00: * HB3 LYS 42 + HD2 LYS 42 OK 100 100 100 100 2.2-4.2 3.8=100 HB2 LYS 49 + HD2 LYS 49 OK 22 22 100 100 2.0-4.0 3.7=100 HB2 LYS 49 + HD3 LYS 49 OK 20 20 100 100 2.5-3.9 3.7=100 HB2 GLN 53 - HD2 LYS 49 poor 16 40 40 - 3.3-8.2 HB2 GLN 53 - HD3 LYS 49 poor 15 37 40 - 3.1-8.4 HB VAL 48 - HD3 LYS 49 far 0 34 0 - 6.0-8.4 HB VAL 48 - HD2 LYS 49 far 0 36 0 - 6.4-7.7 Violated in 0 structures by 0.00 A. Peak 2189 from cnoeabs.peaks (1.35, 1.72, 29.04 ppm; 3.36 A): 2 out of 8 assignments used, quality = 1.00: * HG2 LYS 42 + HD2 LYS 42 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 42 + HD2 LYS 42 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 ARG 34 - HD3 LYS 49 far 0 32 0 - 6.0-10.2 QB ALA 38 - HD2 LYS 42 far 0 97 0 - 6.5-8.2 HG2 ARG 34 - HD2 LYS 49 far 0 35 0 - 7.1-9.5 QB ALA 38 - HD3 LYS 49 far 0 34 0 - 7.5-10.7 QB ALA 38 - HD2 LYS 49 far 0 37 0 - 8.5-9.7 HD3 LYS 27 - HD2 LYS 49 far 0 27 0 - 9.5-16.0 Violated in 0 structures by 0.00 A. Peak 2190 from cnoeabs.peaks (1.35, 1.72, 29.04 ppm; 3.36 A): 2 out of 8 assignments used, quality = 1.00: HG2 LYS 42 + HD2 LYS 42 OK 100 100 100 100 2.2-3.0 3.0=100 * HG3 LYS 42 + HD2 LYS 42 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 ARG 34 - HD3 LYS 49 far 0 32 0 - 6.0-10.2 QB ALA 38 - HD2 LYS 42 far 0 97 0 - 6.5-8.2 HG2 ARG 34 - HD2 LYS 49 far 0 35 0 - 7.1-9.5 QB ALA 38 - HD3 LYS 49 far 0 34 0 - 7.5-10.7 QB ALA 38 - HD2 LYS 49 far 0 37 0 - 8.5-9.7 HD3 LYS 27 - HD2 LYS 49 far 0 27 0 - 9.5-16.0 Violated in 0 structures by 0.00 A. Peak 2191 from cnoeabs.peaks (1.72, 1.72, 29.04 ppm; diagonal): 3 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 4 assignments used, quality = 1.00: * HD3 LYS 42 + HD2 LYS 42 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLN 15 - HD2 LYS 42 far 0 65 0 - 5.1-11.6 HG LEU 64 - HD3 LYS 49 far 0 25 0 - 9.3-32.8 HB2 LEU 64 - HD3 LYS 49 far 0 37 0 - 9.8-31.0 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 * HE2 LYS 42 + HD2 LYS 42 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 42 + HD2 LYS 42 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2195 from cnoeabs.peaks (7.90, 1.66, 29.04 ppm; 4.88 A): 1 out of 4 assignments used, quality = 1.00: * H LYS 42 + HD3 LYS 42 OK 100 100 100 100 2.4-4.4 678=100, 677/1.8=86...(15) H THR 14 - HD2 LYS 62 far 0 63 0 - 8.3-31.9 H GLY 69 - HD2 LYS 62 far 0 71 0 - 8.6-22.8 H THR 14 - HD3 LYS 62 far 0 65 0 - 9.2-31.6 Violated in 0 structures by 0.00 A. Peak 2196 from cnoeabs.peaks (3.98, 1.66, 29.04 ppm; 4.34 A): 1 out of 10 assignments used, quality = 1.00: * HA LYS 42 + HD3 LYS 42 OK 100 100 100 100 2.0-3.6 2141/1.8=76, 2142=75...(20) HB2 SER 24 - HD3 LYS 62 far 10 68 15 - 3.1-21.8 HB3 SER 24 - HD3 LYS 62 far 7 70 10 - 4.6-21.7 HB2 SER 24 - HD2 LYS 62 far 7 66 10 - 3.8-22.0 HB3 SER 24 - HD2 LYS 62 far 3 68 5 - 5.0-23.1 HB2 SER 24 - HD3 LYS 60 far 0 66 0 - 6.1-20.6 HB3 SER 24 - HD3 LYS 60 far 0 68 0 - 7.7-20.1 HB2 SER 24 - HD2 LYS 60 far 0 61 0 - 7.8-20.3 HB3 SER 24 - HD2 LYS 60 far 0 63 0 - 9.1-19.5 HA ALA 35 - HD3 LYS 42 far 0 100 0 - 9.5-11.1 Violated in 0 structures by 0.00 A. Peak 2197 from cnoeabs.peaks (1.89, 1.66, 29.04 ppm; 3.91 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LYS 42 + HD3 LYS 42 OK 100 100 100 100 2.4-3.9 3.8=100 HG LEU 41 - HD3 LYS 42 far 0 76 0 - 6.4-9.2 Violated in 0 structures by 0.00 A. Peak 2198 from cnoeabs.peaks (2.15, 1.66, 29.04 ppm; 3.75 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LYS 42 + HD3 LYS 42 OK 100 100 100 100 2.8-3.8 3.8=92, 2161/1.8=65...(20) HB2 GLU 20 - HD3 LYS 62 far 7 68 10 - 3.8-22.7 HB2 GLU 20 - HD2 LYS 62 far 7 66 10 - 4.3-24.2 HB2 GLU 20 - HD3 LYS 60 far 0 66 0 - 7.2-20.4 HB2 GLU 20 - HD2 LYS 60 far 0 61 0 - 7.7-19.7 Violated in 1 structures by 0.00 A. Peak 2199 from cnoeabs.peaks (1.35, 1.66, 29.04 ppm; 4.02 A): 2 out of 13 assignments used, quality = 1.00: HG3 LYS 42 + HD3 LYS 42 OK 100 100 100 100 2.3-3.0 3.0=100 * HG2 LYS 42 + HD3 LYS 42 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 27 - HD2 LYS 60 far 5 47 10 - 4.7-15.5 HG2 LYS 58 - HD3 LYS 62 far 4 73 5 - 4.7-17.2 HG2 LYS 58 - HD2 LYS 62 far 4 71 5 - 5.2-17.1 HG2 LYS 58 - HD3 LYS 60 far 4 71 5 - 5.2-12.9 HG2 LYS 58 - HD2 LYS 60 far 3 65 5 - 5.3-12.9 HD3 LYS 27 - HD3 LYS 60 far 0 51 0 - 5.7-16.9 HD3 LYS 27 - HD2 LYS 62 far 0 51 0 - 6.4-19.0 QB ALA 38 - HD3 LYS 42 far 0 97 0 - 6.4-7.7 HG13 ILE 17 - HD2 LYS 62 far 0 51 0 - 7.5-27.6 HD3 LYS 27 - HD3 LYS 62 far 0 53 0 - 7.9-17.7 HG13 ILE 17 - HD3 LYS 62 far 0 53 0 - 8.8-26.3 Violated in 0 structures by 0.00 A. Peak 2200 from cnoeabs.peaks (1.35, 1.66, 29.04 ppm; 4.02 A): 2 out of 13 assignments used, quality = 1.00: * HG3 LYS 42 + HD3 LYS 42 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 42 + HD3 LYS 42 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 27 - HD2 LYS 60 far 5 47 10 - 4.7-15.5 HG2 LYS 58 - HD3 LYS 62 far 4 73 5 - 4.7-17.2 HG2 LYS 58 - HD2 LYS 62 far 4 71 5 - 5.2-17.1 HG2 LYS 58 - HD3 LYS 60 far 4 71 5 - 5.2-12.9 HG2 LYS 58 - HD2 LYS 60 far 3 65 5 - 5.3-12.9 HD3 LYS 27 - HD3 LYS 60 far 0 51 0 - 5.7-16.9 HD3 LYS 27 - HD2 LYS 62 far 0 51 0 - 6.4-19.0 QB ALA 38 - HD3 LYS 42 far 0 97 0 - 6.4-7.7 HG13 ILE 17 - HD2 LYS 62 far 0 51 0 - 7.5-27.6 HD3 LYS 27 - HD3 LYS 62 far 0 53 0 - 7.9-17.7 HG13 ILE 17 - HD3 LYS 62 far 0 53 0 - 8.8-26.3 Violated in 0 structures by 0.00 A. Peak 2201 from cnoeabs.peaks (1.72, 1.66, 29.04 ppm; 2.40 A): 1 out of 16 assignments used, quality = 1.00: * HD2 LYS 42 + HD3 LYS 42 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ARG 61 - HD3 LYS 62 far 4 72 5 - 2.1-8.8 HB3 ARG 61 - HD2 LYS 62 far 3 69 5 - 2.7-8.7 HB2 ARG 56 - HD3 LYS 60 far 0 72 0 - 4.2-12.9 HB3 LYS 58 - HD2 LYS 60 far 0 61 0 - 4.5-12.5 HB3 ARG 61 - HD3 LYS 60 far 0 69 0 - 4.8-8.7 HB3 ARG 61 - HD2 LYS 60 far 0 64 0 - 5.0-9.6 HB2 ARG 56 - HD2 LYS 60 far 0 67 0 - 5.3-13.6 HB3 LYS 58 - HD3 LYS 60 far 0 66 0 - 5.6-13.5 HB2 ARG 56 - HD3 LYS 62 far 0 74 0 - 5.8-18.3 HB3 LYS 58 - HD3 LYS 62 far 0 68 0 - 6.1-16.0 HB3 LYS 58 - HD2 LYS 62 far 0 66 0 - 6.1-15.6 HB2 ARG 56 - HD2 LYS 62 far 0 72 0 - 6.5-18.7 HD2 LYS 39 - HD3 LYS 42 far 0 68 0 - 6.7-9.5 HD3 LYS 39 - HD3 LYS 42 far 0 68 0 - 7.3-9.4 HB3 LEU 37 - HD3 LYS 42 far 0 96 0 - 9.8-11.5 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 * HE2 LYS 42 + HD3 LYS 42 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 42 + HD3 LYS 42 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2206 from cnoeabs.peaks (3.98, 3.02, 42.11 ppm; 4.46 A): 2 out of 2 assignments used, quality = 1.00: HA LYS 42 + HE3 LYS 42 OK 100 100 100 100 3.7-5.6 2196/3.0=66, 2141/3.0=65...(18) * HA LYS 42 + HE2 LYS 42 OK 100 100 100 100 3.9-5.4 2196/3.0=66, 2141/3.0=65...(18) Violated in 2 structures by 0.00 A. Peak 2207 from cnoeabs.peaks (1.89, 3.02, 42.11 ppm; 4.86 A): 2 out of 4 assignments used, quality = 1.00: HB2 LYS 42 + HE3 LYS 42 OK 100 100 100 100 2.5-5.4 4.9=95, ~2198=60...(20) * HB2 LYS 42 + HE2 LYS 42 OK 100 100 100 100 2.6-4.8 4.9=95, ~2198=60...(20) HG LEU 41 - HE3 LYS 42 far 0 76 0 - 7.0-10.2 HG LEU 41 - HE2 LYS 42 far 0 76 0 - 7.1-10.2 Violated in 0 structures by 0.00 A. Peak 2209 from cnoeabs.peaks (1.35, 3.02, 42.11 ppm; 3.55 A): 4 out of 6 assignments used, quality = 1.00: HG3 LYS 42 + HE2 LYS 42 OK 99 100 100 99 2.2-3.8 3.6=95, ~2198=21...(10) * HG2 LYS 42 + HE2 LYS 42 OK 99 100 100 99 2.2-3.7 3.6=95, ~2198=21...(10) HG2 LYS 42 + HE3 LYS 42 OK 99 100 100 99 2.3-4.2 3.6=95, ~2198=21...(10) HG3 LYS 42 + HE3 LYS 42 OK 99 100 100 99 2.4-3.6 3.6=95, ~2198=21...(10) QB ALA 38 - HE2 LYS 42 far 0 97 0 - 7.4-9.4 QB ALA 38 - HE3 LYS 42 far 0 97 0 - 7.5-9.1 Violated in 0 structures by 0.00 A. Peak 2210 from cnoeabs.peaks (1.35, 3.02, 42.11 ppm; 3.55 A): 4 out of 6 assignments used, quality = 1.00: * HG3 LYS 42 + HE2 LYS 42 OK 99 100 100 99 2.2-3.8 3.6=95, ~2198=21...(10) HG2 LYS 42 + HE2 LYS 42 OK 99 100 100 99 2.2-3.7 3.6=95, ~2198=21...(10) HG2 LYS 42 + HE3 LYS 42 OK 99 100 100 99 2.3-4.2 3.6=95, ~2198=21...(10) HG3 LYS 42 + HE3 LYS 42 OK 99 100 100 99 2.4-3.6 3.6=95, ~2198=21...(10) QB ALA 38 - HE2 LYS 42 far 0 97 0 - 7.4-9.4 QB ALA 38 - HE3 LYS 42 far 0 97 0 - 7.5-9.1 Violated in 0 structures by 0.00 A. Peak 2211 from cnoeabs.peaks (1.72, 3.02, 42.11 ppm; 3.31 A): 2 out of 6 assignments used, quality = 1.00: HD2 LYS 42 + HE3 LYS 42 OK 100 100 100 100 2.3-3.0 3.0=100 * HD2 LYS 42 + HE2 LYS 42 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 39 - HE2 LYS 42 far 0 68 0 - 6.8-10.6 HD2 LYS 39 - HE3 LYS 42 far 0 68 0 - 7.0-10.6 HD3 LYS 39 - HE2 LYS 42 far 0 68 0 - 7.6-11.1 HD3 LYS 39 - HE3 LYS 42 far 0 68 0 - 7.8-10.3 Violated in 0 structures by 0.00 A. Peak 2212 from cnoeabs.peaks (1.66, 3.02, 42.11 ppm; 3.68 A): 2 out of 5 assignments used, quality = 1.00: HD3 LYS 42 + HE3 LYS 42 OK 100 100 100 100 2.3-3.0 3.0=100 * HD3 LYS 42 + HE2 LYS 42 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLN 15 - HE3 LYS 42 far 0 65 0 - 5.9-12.6 HB3 GLN 15 - HE2 LYS 42 far 0 65 0 - 6.9-12.3 HB2 LEU 37 - HE2 LYS 42 far 0 100 0 - 9.4-13.5 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HA LYS 42 + HE3 LYS 42 OK 100 100 100 100 3.7-5.6 2196/3.0=66, 2141/3.0=65...(18) HA LYS 42 + HE2 LYS 42 OK 100 100 100 100 3.9-5.4 2196/3.0=66, 2141/3.0=65...(18) Violated in 2 structures by 0.00 A. Peak 2217 from cnoeabs.peaks (1.89, 3.02, 42.11 ppm; 4.86 A): 2 out of 4 assignments used, quality = 1.00: * HB2 LYS 42 + HE3 LYS 42 OK 100 100 100 100 2.5-5.4 4.9=95, ~2198=60...(20) HB2 LYS 42 + HE2 LYS 42 OK 100 100 100 100 2.6-4.8 4.9=95, ~2198=60...(20) HG LEU 41 - HE3 LYS 42 far 0 76 0 - 7.0-10.2 HG LEU 41 - HE2 LYS 42 far 0 76 0 - 7.1-10.2 Violated in 0 structures by 0.00 A. Peak 2219 from cnoeabs.peaks (1.35, 3.02, 42.11 ppm; 3.55 A): 4 out of 6 assignments used, quality = 1.00: HG3 LYS 42 + HE2 LYS 42 OK 99 100 100 99 2.2-3.8 3.6=95, ~2198=21...(10) HG2 LYS 42 + HE2 LYS 42 OK 99 100 100 99 2.2-3.7 3.6=95, ~2198=21...(10) * HG2 LYS 42 + HE3 LYS 42 OK 99 100 100 99 2.3-4.2 3.6=95, ~2198=21...(10) HG3 LYS 42 + HE3 LYS 42 OK 99 100 100 99 2.4-3.6 3.6=95, ~2198=21...(10) QB ALA 38 - HE2 LYS 42 far 0 97 0 - 7.4-9.4 QB ALA 38 - HE3 LYS 42 far 0 97 0 - 7.5-9.1 Violated in 0 structures by 0.00 A. Peak 2220 from cnoeabs.peaks (1.35, 3.02, 42.11 ppm; 3.55 A): 4 out of 6 assignments used, quality = 1.00: HG3 LYS 42 + HE2 LYS 42 OK 99 100 100 99 2.2-3.8 3.6=95, ~2198=21...(10) HG2 LYS 42 + HE2 LYS 42 OK 99 100 100 99 2.2-3.7 3.6=95, ~2198=21...(10) HG2 LYS 42 + HE3 LYS 42 OK 99 100 100 99 2.3-4.2 3.6=95, ~2198=21...(10) * HG3 LYS 42 + HE3 LYS 42 OK 99 100 100 99 2.4-3.6 3.6=95, ~2198=21...(10) QB ALA 38 - HE2 LYS 42 far 0 97 0 - 7.4-9.4 QB ALA 38 - HE3 LYS 42 far 0 97 0 - 7.5-9.1 Violated in 0 structures by 0.00 A. Peak 2221 from cnoeabs.peaks (1.72, 3.02, 42.11 ppm; 3.31 A): 2 out of 6 assignments used, quality = 1.00: * HD2 LYS 42 + HE3 LYS 42 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 42 + HE2 LYS 42 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 39 - HE2 LYS 42 far 0 68 0 - 6.8-10.6 HD2 LYS 39 - HE3 LYS 42 far 0 68 0 - 7.0-10.6 HD3 LYS 39 - HE2 LYS 42 far 0 68 0 - 7.6-11.1 HD3 LYS 39 - HE3 LYS 42 far 0 68 0 - 7.8-10.3 Violated in 0 structures by 0.00 A. Peak 2222 from cnoeabs.peaks (1.66, 3.02, 42.11 ppm; 3.68 A): 2 out of 5 assignments used, quality = 1.00: * HD3 LYS 42 + HE3 LYS 42 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 42 + HE2 LYS 42 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLN 15 - HE3 LYS 42 far 0 65 0 - 5.9-12.6 HB3 GLN 15 - HE2 LYS 42 far 0 65 0 - 6.9-12.3 HB2 LEU 37 - HE2 LYS 42 far 0 100 0 - 9.4-13.5 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HB2 LEU 43 + HA LEU 43 OK 100 100 100 100 3.0-3.0 3.0=100 QG2 THR 46 - HA LEU 43 far 0 71 0 - 7.9-8.5 HG LEU 19 - HA LEU 43 far 0 92 0 - 8.0-9.8 Violated in 0 structures by 0.00 A. Peak 2228 from cnoeabs.peaks (1.60, 4.87, 52.54 ppm; 3.79 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LEU 43 + HA LEU 43 OK 100 100 100 100 2.4-2.5 3.0=100 HB2 LEU 41 + HA LEU 43 OK 72 93 85 91 5.0-5.7 4820/4.0=41, 2235/3.0=32...(9) HG3 ARG 34 - HA LEU 43 far 0 89 0 - 9.4-11.5 Violated in 0 structures by 0.00 A. Peak 2229 from cnoeabs.peaks (1.47, 4.87, 52.54 ppm; 3.47 A): 1 out of 2 assignments used, quality = 1.00: * HG LEU 43 + HA LEU 43 OK 100 100 100 100 2.7-3.3 3.7=86, 2.1/2230=79...(11) QB ALA 35 - HA LEU 43 far 0 92 0 - 9.0-10.1 Violated in 0 structures by 0.00 A. Peak 2230 from cnoeabs.peaks (0.85, 4.87, 52.54 ppm; 2.93 A): 1 out of 2 assignments used, quality = 0.98: * QD2 LEU 43 + HA LEU 43 OK 98 100 100 98 2.0-2.6 2254=82, 2.1/2229=47...(11) QD1 LEU 68 - HA LEU 43 far 0 99 0 - 9.0-32.5 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.8-3.9 4.0=100 Violated in 0 structures by 0.00 A. Peak 2232 from cnoeabs.peaks (8.33, 1.23, 47.68 ppm; 3.87 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 43 + HB2 LEU 43 OK 100 100 100 100 2.4-2.6 683=100, 685/3.0=62...(15) Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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): 2 out of 3 assignments used, quality = 1.00: * HB3 LEU 43 + HB2 LEU 43 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LEU 41 + HB2 LEU 43 OK 79 93 100 85 2.9-4.0 4820/3.1=32, ~4819=19...(10) HG3 ARG 34 - HB2 LEU 43 far 0 89 0 - 7.0-8.9 Violated in 0 structures by 0.00 A. Peak 2236 from cnoeabs.peaks (1.47, 1.23, 47.68 ppm; 3.66 A): 1 out of 3 assignments used, quality = 1.00: * HG LEU 43 + HB2 LEU 43 OK 100 100 100 100 2.4-2.7 3.0=100 QB ALA 35 - HB2 LEU 43 far 0 92 0 - 8.0-9.0 HB3 LEU 29 - HB2 LEU 43 far 0 97 0 - 9.6-12.2 Violated in 0 structures by 0.00 A. Peak 2237 from cnoeabs.peaks (0.85, 1.23, 47.68 ppm; 3.92 A): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 43 + HB2 LEU 43 OK 100 100 100 100 3.1-3.2 3.1=100 QD1 LEU 68 - HB2 LEU 43 far 0 99 0 - 8.3-30.2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.0-2.3 3.1=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.6-3.8 4.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-2.5 3.0=100 Violated in 0 structures by 0.00 A. Peak 2241 from cnoeabs.peaks (1.23, 1.60, 47.68 ppm; 3.07 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LEU 43 + HB3 LEU 43 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 19 - HB3 LEU 43 far 0 92 0 - 6.6-8.3 QG2 THR 46 - HB3 LEU 43 far 0 71 0 - 6.9-7.3 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HG LEU 43 + HB3 LEU 43 OK 100 100 100 100 3.0-3.0 3.0=100 QB ALA 35 - HB3 LEU 43 far 0 92 0 - 8.7-9.9 Violated in 0 structures by 0.00 A. Peak 2244 from cnoeabs.peaks (0.85, 1.60, 47.68 ppm; 3.75 A): 1 out of 3 assignments used, quality = 1.00: * QD2 LEU 43 + HB3 LEU 43 OK 100 100 100 100 2.0-2.5 3.1=100 QD1 LEU 68 - HB3 LEU 43 far 0 99 0 - 7.8-30.5 QD2 LEU 68 - HB3 LEU 43 far 0 100 0 - 9.3-31.8 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-2.7 3.1=100 Violated in 0 structures by 0.00 A. Peak 2246 from cnoeabs.peaks (8.33, 1.47, 26.44 ppm; 4.44 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 43 + HG LEU 43 OK 100 100 100 100 2.6-3.1 685=100, 687/2.1=83...(12) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.7-3.3 3.7=100 Violated in 0 structures by 0.00 A. Peak 2248 from cnoeabs.peaks (1.23, 1.47, 26.44 ppm; 3.74 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LEU 43 + HG LEU 43 OK 100 100 100 100 2.4-2.7 3.0=100 HG LEU 19 - HG LEU 43 far 0 92 0 - 5.3-7.5 QG2 THR 14 - HG LEU 43 far 0 87 0 - 8.5-10.9 QG2 THR 46 - HG LEU 43 far 0 71 0 - 9.2-9.8 Violated in 0 structures by 0.00 A. Peak 2249 from cnoeabs.peaks (1.60, 1.47, 26.44 ppm; 3.42 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LEU 43 + HG LEU 43 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 LEU 41 + HG LEU 43 OK 90 93 100 96 2.2-3.5 4820/2.1=55, ~4819=39...(12) HG3 ARG 34 - HG LEU 43 far 0 89 0 - 9.5-11.2 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * QD2 LEU 43 + HG LEU 43 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 68 - HG LEU 43 far 0 99 0 - 7.5-31.6 QD2 LEU 68 - HG LEU 43 far 0 100 0 - 9.5-32.7 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 2253 from cnoeabs.peaks (8.33, 0.85, 24.31 ppm; 4.62 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 43 + QD2 LEU 43 OK 100 100 100 100 3.3-4.2 686=100, 685/2.1=93...(9) Violated in 0 structures by 0.00 A. Peak 2254 from cnoeabs.peaks (4.87, 0.85, 24.31 ppm; 3.13 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 43 + QD2 LEU 43 OK 100 100 100 100 2.0-2.6 2230=100, 2229/2.1=54...(11) Violated in 0 structures by 0.00 A. Peak 2255 from cnoeabs.peaks (1.23, 0.85, 24.31 ppm; 3.83 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LEU 43 + QD2 LEU 43 OK 100 100 100 100 3.1-3.2 3.1=100 HG LEU 19 - QD2 LEU 43 far 5 92 5 - 5.3-7.1 QG2 THR 46 - QD2 LEU 43 far 0 71 0 - 6.3-7.4 QG2 THR 14 - QD2 LEU 43 far 0 87 0 - 7.9-10.1 Violated in 0 structures by 0.00 A. Peak 2256 from cnoeabs.peaks (1.60, 0.85, 24.31 ppm; 3.29 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LEU 43 + QD2 LEU 43 OK 100 100 100 100 2.0-2.5 3.1=100 HB2 LEU 41 + QD2 LEU 43 OK 80 93 90 95 3.9-4.9 4820/2.1=52, ~4819=36...(14) HB3 LEU 68 - QD2 LEU 43 far 0 63 0 - 7.6-32.4 HG3 ARG 34 - QD2 LEU 43 far 0 89 0 - 8.2-10.3 HG LEU 68 - QD2 LEU 43 far 0 96 0 - 8.5-32.4 Violated in 0 structures by 0.00 A. Peak 2257 from cnoeabs.peaks (1.47, 0.85, 24.31 ppm; 3.09 A): 1 out of 2 assignments used, quality = 1.00: * HG LEU 43 + QD2 LEU 43 OK 100 100 100 100 2.1-2.1 2.1=100 QB ALA 35 - QD2 LEU 43 far 0 92 0 - 9.0-9.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.9-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 2260 from cnoeabs.peaks (8.33, 0.66, 27.60 ppm; 4.80 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 43 + QD1 LEU 43 OK 100 100 100 100 3.3-4.0 4.8=100 H ARG 21 - QD1 LEU 43 far 0 89 0 - 8.1-9.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.8-3.9 4.0=100 Violated in 0 structures by 0.00 A. Peak 2262 from cnoeabs.peaks (1.23, 0.66, 27.60 ppm; 3.71 A): 2 out of 5 assignments used, quality = 1.00: * HB2 LEU 43 + QD1 LEU 43 OK 100 100 100 100 2.0-2.3 3.1=100 HG LEU 19 + QD1 LEU 43 OK 90 92 100 98 3.3-4.7 2.1/4478=69, 2.1/4703=67...(10) QG2 THR 14 - QD1 LEU 43 far 0 87 0 - 6.8-9.1 QG2 THR 46 - QD1 LEU 43 far 0 71 0 - 7.0-7.7 HB2 LEU 29 - QD1 LEU 43 far 0 89 0 - 9.2-11.5 Violated in 0 structures by 0.00 A. Peak 2263 from cnoeabs.peaks (1.60, 0.66, 27.60 ppm; 3.46 A): 2 out of 6 assignments used, quality = 1.00: * HB3 LEU 43 + QD1 LEU 43 OK 100 100 100 100 2.4-2.7 3.1=100 HB2 LEU 41 + QD1 LEU 43 OK 92 93 100 99 1.9-3.1 1.8/4819=61, 4820=55...(16) HG3 ARG 34 - QD1 LEU 43 far 0 89 0 - 6.7-8.3 HB3 LEU 68 - QD1 LEU 43 far 0 63 0 - 7.7-30.3 HG LEU 68 - QD1 LEU 43 far 0 96 0 - 7.9-30.5 HG3 ARG 21 - QD1 LEU 43 far 0 100 0 - 8.7-12.1 Violated in 0 structures by 0.00 A. Peak 2264 from cnoeabs.peaks (1.47, 0.66, 27.60 ppm; 3.47 A): 1 out of 3 assignments used, quality = 1.00: * HG LEU 43 + QD1 LEU 43 OK 100 100 100 100 2.1-2.1 2.1=100 QB ALA 35 - QD1 LEU 43 far 0 92 0 - 8.1-9.1 HB3 LEU 29 - QD1 LEU 43 far 0 97 0 - 8.4-11.0 Violated in 0 structures by 0.00 A. Peak 2265 from cnoeabs.peaks (0.85, 0.66, 27.60 ppm; 3.18 A): 1 out of 4 assignments used, quality = 1.00: * QD2 LEU 43 + QD1 LEU 43 OK 100 100 100 100 1.9-2.1 2.1=100 QD1 LEU 68 - QD1 LEU 43 far 0 99 0 - 5.0-24.6 QD2 LEU 68 - QD1 LEU 43 far 0 100 0 - 6.5-25.5 QD2 LEU 64 - QD1 LEU 43 far 0 99 0 - 9.8-24.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.9-2.9 2.9=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-2.7 3.0=100 Violated in 0 structures by 0.00 A. Peak 2270 from cnoeabs.peaks (1.28, 4.65, 60.29 ppm; 3.26 A): 1 out of 2 assignments used, quality = 1.00: * QG2 THR 44 + HA THR 44 OK 100 100 100 100 2.1-2.6 3.2=100 HG12 ILE 50 - HA THR 44 far 0 99 0 - 9.4-11.6 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.5-3.8 4.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-2.7 3.0=100 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * QG2 THR 44 + HB THR 44 OK 100 100 100 100 2.1-2.1 2.1=100 HG12 ILE 50 - HB THR 44 far 0 99 0 - 8.5-10.8 Violated in 0 structures by 0.00 A. Peak 2275 from cnoeabs.peaks (8.84, 1.28, 21.70 ppm; 3.20 A): 1 out of 1 assignment used, quality = 0.99: * H THR 44 + QG2 THR 44 OK 99 100 100 99 2.0-3.1 691=99, 4.6/208=23...(5) Violated in 0 structures by 0.00 A. Peak 2276 from cnoeabs.peaks (4.65, 1.28, 21.70 ppm; 3.23 A): 1 out of 2 assignments used, quality = 1.00: * HA THR 44 + QG2 THR 44 OK 100 100 100 100 2.1-2.6 3.2=100 HA MET 11 - QG2 THR 44 far 0 99 0 - 7.9-10.4 Violated in 0 structures by 0.00 A. Peak 2277 from cnoeabs.peaks (4.78, 1.28, 21.70 ppm; 2.92 A): 1 out of 2 assignments used, quality = 1.00: * HB THR 44 + QG2 THR 44 OK 100 100 100 100 2.1-2.1 2.1=100 HA PHE 23 - QG2 THR 59 far 0 53 0 - 7.5-12.7 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-2.8 3.0=100 Violated in 0 structures by 0.00 A. 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): 3 out of 4 assignments used, quality = 1.00: * HB2 GLU 45 + HA GLU 45 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLU 45 + HA GLU 45 OK 100 100 100 100 2.5-2.7 3.0=100 HG3 GLU 45 + HA GLU 45 OK 63 65 100 96 2.3-3.7 3.9=60, 1.8/2298=54...(17) HB2 LYS 22 - HA GLU 45 far 0 96 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 2282 from cnoeabs.peaks (2.05, 3.64, 61.08 ppm; 3.25 A): 3 out of 4 assignments used, quality = 1.00: * HB3 GLU 45 + HA GLU 45 OK 100 100 100 100 2.5-2.7 3.0=100 HB2 GLU 45 + HA GLU 45 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 GLU 45 + HA GLU 45 OK 68 71 100 97 2.3-3.7 3.9=60, 1.8/2298=54...(17) HB2 LYS 22 - HA GLU 45 far 0 97 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 2283 from cnoeabs.peaks (2.40, 3.64, 61.08 ppm; 3.96 A): 1 out of 4 assignments used, quality = 1.00: * HG2 GLU 45 + HA GLU 45 OK 100 100 100 100 2.2-3.6 3.9=100 HG3 GLN 47 - HA GLU 45 far 0 100 0 - 6.0-7.3 HB3 LYS 22 - HA GLU 45 far 0 87 0 - 9.5-11.0 HG2 MET 11 - HA GLU 45 far 0 96 0 - 9.6-12.5 Violated in 0 structures by 0.00 A. Peak 2284 from cnoeabs.peaks (2.07, 3.64, 61.08 ppm; 3.12 A): 3 out of 4 assignments used, quality = 1.00: * HG3 GLU 45 + HA GLU 45 OK 97 100 100 97 2.3-3.7 2304=58, 1.8/2298=49...(17) HB3 GLU 45 + HA GLU 45 OK 71 71 100 100 2.5-2.7 3.0=100 HB2 GLU 45 + HA GLU 45 OK 65 65 100 100 2.3-3.0 3.0=100 HB2 LYS 22 - HA GLU 45 far 0 92 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-3.5 4.0=100 H GLU 45 + HB3 GLU 45 OK 100 100 100 100 2.2-3.6 4.0=100 Violated in 0 structures by 0.00 A. Peak 2286 from cnoeabs.peaks (3.64, 2.04, 29.23 ppm; 3.61 A): 2 out of 8 assignments used, quality = 1.00: * HA GLU 45 + HB2 GLU 45 OK 100 100 100 100 2.3-3.0 3.0=100 HA GLU 45 + HB3 GLU 45 OK 100 100 100 100 2.5-2.7 3.0=100 HA LEU 19 - HB3 GLU 20 far 0 67 0 - 5.9-6.6 HA ALA 38 - HB3 GLU 45 far 0 60 0 - 6.8-8.1 HA ALA 38 - HB2 GLU 45 far 0 60 0 - 7.0-8.2 HA VAL 48 - HB3 GLU 45 far 0 94 0 - 7.2-8.3 HA VAL 48 - HB2 GLU 45 far 0 95 0 - 7.5-8.7 HA VAL 48 - HB3 GLU 20 far 0 59 0 - 9.8-11.8 Violated in 0 structures by 0.00 A. 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): 3 out of 9 assignments used, quality = 1.00: * HG2 GLU 45 + HB2 GLU 45 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 GLU 45 + HB3 GLU 45 OK 100 100 100 100 2.6-3.0 3.0=100 HG3 GLU 20 + HB3 GLU 20 OK 40 40 100 100 2.2-3.0 3.0=100 HD2 ARG 55 - HB3 GLU 20 far 0 63 0 - 4.9-10.0 HB3 LYS 22 - HB3 GLU 20 far 0 52 0 - 6.5-8.6 HG3 GLU 18 - HB3 GLU 20 far 0 63 0 - 7.0-10.4 HG3 GLN 47 - HB2 GLU 45 far 0 100 0 - 7.3-8.6 HG3 GLN 47 - HB3 GLU 45 far 0 99 0 - 7.9-8.9 HG2 MET 11 - HB3 GLU 20 far 0 60 0 - 9.9-14.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-3.6 4.0=100 H GLU 45 + HB2 GLU 45 OK 100 100 100 100 2.2-3.5 4.0=100 Violated in 0 structures by 0.00 A. Peak 2292 from cnoeabs.peaks (3.64, 2.05, 29.23 ppm; 3.61 A): 2 out of 8 assignments used, quality = 1.00: * HA GLU 45 + HB3 GLU 45 OK 100 100 100 100 2.5-2.7 3.0=100 HA GLU 45 + HB2 GLU 45 OK 100 100 100 100 2.3-3.0 3.0=100 HA LEU 19 - HB3 GLU 20 far 0 65 0 - 5.9-6.6 HA ALA 38 - HB3 GLU 45 far 0 60 0 - 6.8-8.1 HA ALA 38 - HB2 GLU 45 far 0 60 0 - 7.0-8.2 HA VAL 48 - HB3 GLU 45 far 0 95 0 - 7.2-8.3 HA VAL 48 - HB2 GLU 45 far 0 94 0 - 7.5-8.7 HA VAL 48 - HB3 GLU 20 far 0 57 0 - 9.8-11.8 Violated in 0 structures by 0.00 A. 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): 3 out of 9 assignments used, quality = 1.00: * HG2 GLU 45 + HB3 GLU 45 OK 100 100 100 100 2.6-3.0 3.0=100 HG2 GLU 45 + HB2 GLU 45 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 GLU 20 + HB3 GLU 20 OK 39 39 100 100 2.2-3.0 3.0=100 HD2 ARG 55 - HB3 GLU 20 far 0 61 0 - 4.9-10.0 HB3 LYS 22 - HB3 GLU 20 far 0 50 0 - 6.5-8.6 HG3 GLU 18 - HB3 GLU 20 far 0 61 0 - 7.0-10.4 HG3 GLN 47 - HB2 GLU 45 far 0 99 0 - 7.3-8.6 HG3 GLN 47 - HB3 GLU 45 far 0 100 0 - 7.9-8.9 HG2 MET 11 - HB3 GLU 20 far 0 58 0 - 9.9-14.9 Violated in 0 structures by 0.00 A. 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 = 1.00: * H GLU 45 + HG2 GLU 45 OK 100 100 100 100 2.1-3.3 696=100, 2303/1.8=62...(13) Violated in 0 structures by 0.00 A. Peak 2298 from cnoeabs.peaks (3.64, 2.40, 37.98 ppm; 3.82 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 45 + HG2 GLU 45 OK 100 100 100 100 2.2-3.6 3.9=97, 2304/1.8=76...(16) HA ALA 38 - HG2 GLU 45 far 3 60 5 - 4.9-8.3 HA VAL 48 - HG2 GLU 45 far 0 95 0 - 7.5-9.0 Violated in 0 structures by 0.00 A. Peak 2299 from cnoeabs.peaks (2.04, 2.40, 37.98 ppm; 2.81 A): 3 out of 3 assignments used, quality = 1.00: HB3 GLU 45 + HG2 GLU 45 OK 95 100 100 95 2.6-3.0 3.0=81, 3.0/2298=30...(11) * HB2 GLU 45 + HG2 GLU 45 OK 95 100 100 95 2.3-3.0 3.0=81, 3.0/2298=30...(11) HG3 GLU 45 + HG2 GLU 45 OK 65 65 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2300 from cnoeabs.peaks (2.05, 2.40, 37.98 ppm; 2.81 A): 3 out of 3 assignments used, quality = 1.00: * HB3 GLU 45 + HG2 GLU 45 OK 95 100 100 95 2.6-3.0 3.0=81, 3.0/2298=30...(11) HB2 GLU 45 + HG2 GLU 45 OK 95 100 100 95 2.3-3.0 3.0=81, 3.0/2298=30...(11) HG3 GLU 45 + HG2 GLU 45 OK 71 71 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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): 3 out of 3 assignments used, quality = 1.00: * HG3 GLU 45 + HG2 GLU 45 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLU 45 + HG2 GLU 45 OK 60 71 100 85 2.6-3.0 3.0=61, 3.0/2298=24...(11) HB2 GLU 45 + HG2 GLU 45 OK 55 65 100 84 2.3-3.0 3.0=61, 3.0/2298=24...(10) Violated in 0 structures by 0.00 A. Peak 2303 from cnoeabs.peaks (9.24, 2.07, 37.98 ppm; 4.33 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 45 + HG3 GLU 45 OK 100 100 100 100 3.3-4.2 696/1.8=93, 4.7=80...(9) Violated in 0 structures by 0.00 A. Peak 2304 from cnoeabs.peaks (3.64, 2.07, 37.98 ppm; 3.75 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 45 + HG3 GLU 45 OK 100 100 100 100 2.3-3.7 3.9=92, 2298/1.8=72...(17) HA ALA 38 - HG3 GLU 45 far 0 60 0 - 5.8-8.8 HA VAL 48 - HG3 GLU 45 far 0 95 0 - 7.2-8.8 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HG2 GLU 45 + HG3 GLU 45 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLN 47 - HG3 GLU 45 far 0 100 0 - 8.2-10.1 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * H THR 46 + HA THR 46 OK 100 100 100 100 2.8-2.9 2.9=100 H ALA 35 - HA THR 46 far 0 98 0 - 9.1-11.2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2312 from cnoeabs.peaks (1.25, 3.90, 66.50 ppm; 3.15 A): 1 out of 2 assignments used, quality = 0.99: * QG2 THR 46 + HA THR 46 OK 99 100 100 99 2.3-2.5 3.2=95, 701/2.9=41...(10) HB2 LEU 43 - HA THR 46 far 0 71 0 - 8.4-8.9 Violated in 0 structures by 0.00 A. Peak 2313 from cnoeabs.peaks (8.14, 4.06, 68.82 ppm; 3.68 A): 1 out of 1 assignment used, quality = 1.00: * H THR 46 + HB THR 46 OK 100 100 100 100 2.4-2.5 700=100, 701/2.1=67...(5) Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2315 from cnoeabs.peaks (4.06, 4.06, 68.82 ppm; diagonal): 2 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 3 assignments used, quality = 1.00: * QG2 THR 46 + HB THR 46 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 43 - HB THR 46 far 0 71 0 - 7.8-8.3 HG LEU 19 - HB THR 14 far 0 47 0 - 7.8-10.1 Violated in 0 structures by 0.00 A. Peak 2317 from cnoeabs.peaks (8.14, 1.25, 21.98 ppm; 4.48 A): 1 out of 3 assignments used, quality = 1.00: * H THR 46 + QG2 THR 46 OK 100 100 100 100 3.7-3.8 4.0=100 H LEU 68 - QG2 THR 46 far 0 100 0 - 7.9-28.6 H ALA 35 - QG2 THR 46 far 0 98 0 - 10.0-11.7 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-2.5 3.2=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * H GLN 47 + HA GLN 47 OK 100 100 100 100 2.8-2.9 3.0=100 H GLN 53 - HA GLN 47 far 0 87 0 - 7.3-8.1 H ARG 55 - HA GLN 47 far 0 76 0 - 9.4-10.4 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2324 from cnoeabs.peaks (1.83, 3.96, 59.66 ppm; 3.42 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLN 47 + HA GLN 47 OK 100 100 100 100 2.4-2.5 3.0=100 HB3 MET 11 - HA GLN 47 far 0 98 0 - 8.6-10.3 Violated in 0 structures by 0.00 A. Peak 2325 from cnoeabs.peaks (2.55, 3.96, 59.66 ppm; 3.38 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 47 + HA GLN 47 OK 100 100 100 100 2.6-3.5 1.8/2326=71, 2346=69...(18) Violated in 14 structures by 0.04 A. Peak 2326 from cnoeabs.peaks (2.40, 3.96, 59.66 ppm; 3.39 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLN 47 + HA GLN 47 OK 100 100 100 100 2.4-3.8 2354=76, 1.8/2325=72...(18) HG2 MET 11 - HA GLN 47 far 0 89 0 - 6.4-8.9 HG2 GLU 45 - HA GLN 47 far 0 100 0 - 7.2-9.2 HD2 ARG 55 - HA GLN 47 far 0 100 0 - 9.4-12.7 Violated in 3 structures by 0.06 A. Peak 2327 from cnoeabs.peaks (6.91, 3.96, 59.66 ppm; 5.04 A): 1 out of 3 assignments used, quality = 1.00: * HE21 GLN 47 + HA GLN 47 OK 100 100 100 100 4.1-5.1 3.4/2325=87, 3.4/2326=87...(15) HD22 ASN 54 - HA GLN 47 far 0 100 0 - 6.6-9.3 HE21 GLN 53 - HA GLN 47 far 0 71 0 - 8.0-10.4 Violated in 13 structures by 0.02 A. Peak 2329 from cnoeabs.peaks (8.05, 2.58, 29.96 ppm; 3.98 A): 1 out of 4 assignments used, quality = 1.00: * H GLN 47 + HB2 GLN 47 OK 100 100 100 100 2.5-2.6 704=100, 705/1.8=85...(13) H LEU 41 - HB2 GLN 47 far 0 100 0 - 7.9-8.7 H GLN 53 - HB2 GLN 47 far 0 87 0 - 9.0-9.8 H LEU 37 - HB2 GLN 47 far 0 92 0 - 9.4-10.9 Violated in 0 structures by 0.00 A. Peak 2330 from cnoeabs.peaks (3.96, 2.58, 29.96 ppm; 4.15 A): 1 out of 3 assignments used, quality = 1.00: * HA GLN 47 + HB2 GLN 47 OK 100 100 100 100 3.0-3.0 3.0=100 HA LYS 42 - HB2 GLN 47 far 0 78 0 - 8.1-8.9 HA ALA 35 - HB2 GLN 47 far 0 76 0 - 8.2-9.8 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HB3 GLN 47 + HB2 GLN 47 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 MET 11 - HB2 GLN 47 far 0 98 0 - 7.3-9.2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-2.8 3.0=100 Violated in 0 structures by 0.00 A. Peak 2334 from cnoeabs.peaks (2.40, 2.58, 29.96 ppm; 3.85 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLN 47 + HB2 GLN 47 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 MET 11 - HB2 GLN 47 far 4 89 5 - 5.3-7.8 HG2 GLU 45 - HB2 GLN 47 far 0 100 0 - 6.9-7.6 Violated in 0 structures by 0.00 A. Peak 2337 from cnoeabs.peaks (8.05, 1.83, 29.96 ppm; 4.04 A): 1 out of 4 assignments used, quality = 1.00: * H GLN 47 + HB3 GLN 47 OK 100 100 100 100 3.6-3.6 4.0=100 H GLN 53 - HB3 GLN 47 far 0 87 0 - 8.5-9.3 H LEU 41 - HB3 GLN 47 far 0 100 0 - 8.9-9.9 H ARG 55 - HB3 GLN 47 far 0 76 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 2338 from cnoeabs.peaks (3.96, 1.83, 29.96 ppm; 3.71 A): 1 out of 4 assignments used, quality = 1.00: * HA GLN 47 + HB3 GLN 47 OK 100 100 100 100 2.4-2.5 3.0=100 HA LYS 42 - HB3 GLN 47 far 0 78 0 - 9.1-10.2 HB3 SER 12 - HB3 GLN 47 far 0 97 0 - 9.8-14.3 HA ALA 35 - HB3 GLN 47 far 0 76 0 - 10.0-11.4 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HE21 GLN 47 + HB3 GLN 47 OK 100 100 100 100 2.4-3.4 4.6=100 HD22 ASN 54 - HB3 GLN 47 far 0 100 0 - 7.2-10.4 Violated in 0 structures by 0.00 A. Peak 2345 from cnoeabs.peaks (8.05, 2.55, 35.63 ppm; 3.79 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 47 + HG2 GLN 47 OK 100 100 100 100 2.1-2.5 706=100, 707/1.8=78...(12) H LEU 41 - HG2 GLN 47 far 0 100 0 - 9.1-10.9 H GLN 53 - HG2 GLN 47 far 0 87 0 - 10.0-11.3 Violated in 0 structures by 0.00 A. Peak 2346 from cnoeabs.peaks (3.96, 2.55, 35.63 ppm; 3.81 A): 1 out of 3 assignments used, quality = 1.00: * HA GLN 47 + HG2 GLN 47 OK 100 100 100 100 2.6-3.5 3.8=100 HA LYS 42 - HG2 GLN 47 far 0 78 0 - 8.3-10.2 HA ALA 35 - HG2 GLN 47 far 0 76 0 - 8.7-11.4 Violated in 0 structures by 0.00 A. Peak 2347 from cnoeabs.peaks (2.58, 2.55, 35.63 ppm; 2.90 A): 1 out of 1 assignment used, quality = 0.99: * HB2 GLN 47 + HG2 GLN 47 OK 99 100 100 99 2.3-2.8 3.0=89, 3.0/2325=38...(16) Violated in 0 structures by 0.00 A. Peak 2348 from cnoeabs.peaks (1.83, 2.55, 35.63 ppm; 3.75 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLN 47 + HG2 GLN 47 OK 100 100 100 100 2.9-3.0 3.0=100 HB3 MET 11 - HG2 GLN 47 far 0 98 0 - 8.6-10.7 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HG3 GLN 47 + HG2 GLN 47 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLU 45 - HG2 GLN 47 far 0 100 0 - 6.4-8.1 HG2 MET 11 - HG2 GLN 47 far 0 89 0 - 6.5-8.5 Violated in 0 structures by 0.00 A. Peak 2351 from cnoeabs.peaks (6.91, 2.55, 35.63 ppm; 4.59 A): 1 out of 2 assignments used, quality = 1.00: * HE21 GLN 47 + HG2 GLN 47 OK 100 100 100 100 3.5-4.1 3.4=100 HD22 ASN 54 - HG2 GLN 47 far 0 100 0 - 9.7-12.6 Violated in 0 structures by 0.00 A. Peak 2352 from cnoeabs.peaks (7.67, 2.55, 35.63 ppm; 3.99 A): 2 out of 3 assignments used, quality = 1.00: * HE22 GLN 47 + HG2 GLN 47 OK 100 100 100 100 3.5-4.1 3.4=100 H VAL 48 + HG2 GLN 47 OK 90 90 100 100 4.0-4.3 223=83, 897/706=64...(8) H LYS 39 - HG2 GLN 47 far 0 99 0 - 8.5-11.0 Violated in 0 structures by 0.00 A. Peak 2353 from cnoeabs.peaks (8.05, 2.40, 35.63 ppm; 4.04 A): 1 out of 6 assignments used, quality = 1.00: * H GLN 47 + HG3 GLN 47 OK 100 100 100 100 2.9-3.4 707=100, 706/1.8=96...(13) H LEU 41 - HG3 GLU 18 far 0 58 0 - 5.8-8.3 H LYS 22 - HG3 GLU 18 far 0 40 0 - 6.6-7.6 H LEU 37 - HG3 GLU 18 far 0 50 0 - 8.7-11.9 H LEU 41 - HG3 GLN 47 far 0 100 0 - 9.2-11.4 H GLN 53 - HG3 GLN 47 far 0 87 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 2354 from cnoeabs.peaks (3.96, 2.40, 35.63 ppm; 3.72 A): 1 out of 4 assignments used, quality = 1.00: * HA GLN 47 + HG3 GLN 47 OK 100 100 100 100 2.4-3.8 2326=100, 2325/1.8=82...(18) HB3 SER 12 - HG3 GLU 18 far 0 55 0 - 8.2-10.4 HA LYS 42 - HG3 GLN 47 far 0 78 0 - 8.4-10.7 HA LYS 42 - HG3 GLU 18 far 0 40 0 - 9.5-11.9 Violated in 3 structures by 0.01 A. 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 100 100 100 100 2.2-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2356 from cnoeabs.peaks (1.83, 2.40, 35.63 ppm; 3.45 A): 2 out of 5 assignments used, quality = 1.00: * HB3 GLN 47 + HG3 GLN 47 OK 100 100 100 100 2.4-2.8 3.0=100 HB ILE 17 + HG3 GLU 18 OK 29 53 75 72 3.2-5.3 3370/531=30, 2.1/4073=22...(9) HD2 LYS 22 - HG3 GLU 18 far 0 57 0 - 6.9-10.0 HB3 MET 11 - HG3 GLU 18 far 0 56 0 - 7.6-10.9 HB3 MET 11 - HG3 GLN 47 far 0 98 0 - 8.1-10.4 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HE21 GLN 47 + HG3 GLN 47 OK 100 100 100 100 2.3-3.7 3.4=100 HD22 ASN 54 - HG3 GLN 47 far 0 100 0 - 8.5-12.0 Violated in 0 structures by 0.00 A. Peak 2360 from cnoeabs.peaks (7.67, 2.40, 35.63 ppm; 3.73 A): 2 out of 4 assignments used, quality = 1.00: * HE22 GLN 47 + HG3 GLN 47 OK 100 100 100 100 2.6-3.6 3.4=100 H VAL 48 + HG3 GLN 47 OK 89 90 100 98 4.3-4.9 223/1.8=56, 3.6/2326=54...(9) H LYS 39 - HG3 GLU 18 far 0 57 0 - 9.2-12.1 H LYS 39 - HG3 GLN 47 far 0 99 0 - 9.4-11.8 Violated in 0 structures by 0.00 A. Peak 2361 from cnoeabs.peaks (7.68, 3.63, 67.46 ppm; 3.96 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 48 + HA VAL 48 OK 100 100 100 100 2.7-2.8 3.0=100 HE22 GLN 47 - HA VAL 48 far 0 90 0 - 6.1-7.8 H LYS 39 - HA VAL 48 far 0 98 0 - 8.5-9.6 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HB VAL 48 + HA VAL 48 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 GLN 53 - HA VAL 48 far 0 93 0 - 7.5-8.6 Violated in 0 structures by 0.00 A. Peak 2364 from cnoeabs.peaks (1.00, 3.63, 67.46 ppm; 3.26 A): 1 out of 2 assignments used, quality = 1.00: * QG1 VAL 48 + HA VAL 48 OK 100 100 100 100 2.4-2.5 3.2=100 QG2 VAL 16 - HA VAL 48 far 0 90 0 - 7.0-7.9 Violated in 0 structures by 0.00 A. Peak 2365 from cnoeabs.peaks (0.95, 3.63, 67.46 ppm; 3.15 A): 1 out of 2 assignments used, quality = 1.00: * QG2 VAL 48 + HA VAL 48 OK 100 100 100 100 2.2-2.4 3.2=96, 714/3.0=51...(20) QD1 LEU 37 - HA VAL 48 poor 19 97 20 - 3.6-7.3 Violated in 0 structures by 0.00 A. Peak 2366 from cnoeabs.peaks (7.68, 2.16, 32.06 ppm; 3.54 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 48 + HB VAL 48 OK 100 100 100 100 2.4-2.6 712=100, 714/2.1=77...(12) H LYS 39 - HB VAL 48 far 0 98 0 - 6.9-7.8 HE22 GLN 47 - HB VAL 48 far 0 90 0 - 7.5-9.0 Violated in 0 structures by 0.00 A. Peak 2367 from cnoeabs.peaks (3.63, 2.16, 32.06 ppm; 3.54 A): 3 out of 4 assignments used, quality = 1.00: * HA VAL 48 + HB VAL 48 OK 100 100 100 100 3.0-3.0 3.0=100 HA GLU 45 + HB VAL 48 OK 93 95 100 98 2.6-3.3 3773=80, 4512/2.1=51...(10) HA ALA 38 + HB VAL 48 OK 29 90 35 91 4.5-5.7 2.1/4409=49, ~4405=43...(8) HA LEU 19 - HB VAL 48 far 0 97 0 - 7.1-8.2 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * QG1 VAL 48 + HB VAL 48 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 VAL 16 - HB VAL 48 far 0 90 0 - 9.4-10.4 Violated in 0 structures by 0.00 A. Peak 2370 from cnoeabs.peaks (0.95, 2.16, 32.06 ppm; 3.20 A): 1 out of 2 assignments used, quality = 1.00: * QG2 VAL 48 + HB VAL 48 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 37 - HB VAL 48 poor 19 97 20 - 3.9-7.3 Violated in 0 structures by 0.00 A. Peak 2371 from cnoeabs.peaks (7.68, 1.00, 23.57 ppm; 4.12 A): 1 out of 6 assignments used, quality = 1.00: * H VAL 48 + QG1 VAL 48 OK 100 100 100 100 3.7-3.8 4.0=100 H LYS 39 - QG1 VAL 48 far 0 98 0 - 6.1-7.3 HE22 GLN 47 - QG2 VAL 16 far 0 41 0 - 6.8-8.8 HE22 GLN 47 - QG1 VAL 48 far 0 90 0 - 7.4-8.8 H VAL 48 - QG2 VAL 16 far 0 51 0 - 8.6-9.7 H LYS 58 - QG2 VAL 16 far 0 50 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. Peak 2372 from cnoeabs.peaks (3.63, 1.00, 23.57 ppm; 3.18 A): 4 out of 7 assignments used, quality = 1.00: * HA VAL 48 + QG1 VAL 48 OK 100 100 100 100 2.4-2.5 3.2=99, 2365/2.1=65...(15) HA GLU 45 + QG1 VAL 48 OK 83 95 100 87 4.0-4.6 3773/2.1=47, 4512/2.1=41...(8) HA ALA 38 + QG1 VAL 48 OK 34 90 45 83 3.9-5.7 ~4405=34, ~4409=25...(10) HA LEU 19 + QG1 VAL 48 OK 30 97 55 57 4.1-5.4 1281/4825=26...(6) HA LEU 19 - QG2 VAL 16 far 0 46 0 - 5.8-6.6 HA VAL 48 - QG2 VAL 16 far 0 51 0 - 7.0-7.9 HA ALA 38 - QG2 VAL 16 far 0 41 0 - 8.9-10.5 Violated in 0 structures by 0.00 A. Peak 2373 from cnoeabs.peaks (2.16, 1.00, 23.57 ppm; 3.12 A): 1 out of 7 assignments used, quality = 1.00: * HB VAL 48 + QG1 VAL 48 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 GLU 20 - QG2 VAL 16 far 0 51 0 - 5.5-7.7 HB2 GLN 53 - QG1 VAL 48 far 0 93 0 - 6.8-7.9 HB2 GLU 20 - QG1 VAL 48 far 0 100 0 - 8.7-9.9 HB3 LYS 42 - QG2 VAL 16 far 0 46 0 - 9.2-11.3 HB3 LYS 42 - QG1 VAL 48 far 0 97 0 - 9.4-11.1 HB VAL 48 - QG2 VAL 16 far 0 51 0 - 9.4-10.4 Violated in 0 structures by 0.00 A. Peak 2374 from cnoeabs.peaks (1.00, 1.00, 23.57 ppm; diagonal): 2 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 4 assignments used, quality = 1.00: * QG2 VAL 48 + QG1 VAL 48 OK 100 100 100 100 2.0-2.1 2.1=100 QD1 LEU 37 - QG1 VAL 48 poor 13 97 25 53 2.2-5.1 2.1/4573=14...(11) QD1 LEU 37 - QG2 VAL 16 far 0 46 0 - 6.4-7.8 QG2 VAL 48 - QG2 VAL 16 far 0 51 0 - 6.6-7.6 Violated in 0 structures by 0.00 A. Peak 2376 from cnoeabs.peaks (7.68, 0.95, 23.79 ppm; 3.33 A): 2 out of 3 assignments used, quality = 1.00: * H VAL 48 + QG2 VAL 48 OK 100 100 100 100 2.0-2.3 714=100, 712/2.1=67...(13) H LYS 39 + QG2 VAL 48 OK 25 98 30 83 4.6-5.5 164/4405=56, 888/161=20...(7) HE22 GLN 47 - QG2 VAL 48 far 0 90 0 - 5.3-6.6 Violated in 0 structures by 0.00 A. Peak 2377 from cnoeabs.peaks (3.63, 0.95, 23.79 ppm; 2.87 A): 3 out of 4 assignments used, quality = 1.00: * HA VAL 48 + QG2 VAL 48 OK 98 100 100 98 2.2-2.4 2365=76, 3.0/714=42...(17) HA ALA 38 + QG2 VAL 48 OK 86 90 100 95 2.1-3.2 2.1/4405=58, 4403=25...(21) HA GLU 45 + QG2 VAL 48 OK 82 95 100 86 3.0-3.9 3773/2.1=37, 4512=33...(11) HA LEU 19 - QG2 VAL 48 far 0 97 0 - 4.5-5.5 Violated in 0 structures by 0.00 A. Peak 2378 from cnoeabs.peaks (2.16, 0.95, 23.79 ppm; 3.17 A): 1 out of 4 assignments used, quality = 1.00: * HB VAL 48 + QG2 VAL 48 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LYS 42 - QG2 VAL 48 far 0 97 0 - 7.0-8.5 HB2 GLN 53 - QG2 VAL 48 far 0 93 0 - 8.5-9.4 HB2 GLU 20 - QG2 VAL 48 far 0 100 0 - 9.6-10.8 Violated in 0 structures by 0.00 A. Peak 2379 from cnoeabs.peaks (1.00, 0.95, 23.79 ppm; 2.40 A): 1 out of 2 assignments used, quality = 1.00: * QG1 VAL 48 + QG2 VAL 48 OK 100 100 100 100 2.0-2.1 2.1=100 QG2 VAL 16 - QG2 VAL 48 far 0 90 0 - 6.6-7.6 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. 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): 2 out of 2 assignments used, quality = 1.00: * HB2 LYS 49 + HA LYS 49 OK 100 100 100 100 2.9-3.0 3.0=100 HB2 GLN 53 + HA LYS 49 OK 31 76 80 51 4.7-6.2 4.0/1043=25, 234/3.6=22...(5) Violated in 0 structures by 0.00 A. Peak 2384 from cnoeabs.peaks (1.88, 4.33, 59.98 ppm; 3.42 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LYS 49 + HA LYS 49 OK 100 100 100 100 2.3-2.8 3.0=100 HB3 ARG 34 - HA LYS 49 far 0 78 0 - 6.1-7.9 HB2 GLU 33 - HA LYS 49 far 0 100 0 - 9.7-11.3 HG LEU 41 - HA LYS 49 far 0 93 0 - 9.8-11.6 Violated in 0 structures by 0.00 A. Peak 2385 from cnoeabs.peaks (1.57, 4.33, 59.98 ppm; 3.56 A): 1 out of 5 assignments used, quality = 1.00: * HG2 LYS 49 + HA LYS 49 OK 100 100 100 100 2.4-3.6 3.9=74, 1.8/2386=63...(23) HG3 ARG 34 - HA LYS 49 far 9 92 10 - 4.8-5.8 HG LEU 37 - HA LYS 49 far 0 97 0 - 7.8-9.9 HB3 LYS 27 - HA LYS 49 far 0 97 0 - 7.9-11.5 QB ALA 31 - HA LYS 49 far 0 95 0 - 9.1-11.2 Violated in 2 structures by 0.01 A. Peak 2386 from cnoeabs.peaks (1.40, 4.33, 59.98 ppm; 3.89 A): 1 out of 2 assignments used, quality = 1.00: * HG3 LYS 49 + HA LYS 49 OK 100 100 100 100 2.3-3.9 3.9=97, 1.8/2385=83...(24) HB2 LYS 27 - HA LYS 49 far 0 83 0 - 7.2-10.6 Violated in 1 structures by 0.00 A. Peak 2387 from cnoeabs.peaks (1.70, 4.33, 59.98 ppm; 4.38 A): 3 out of 7 assignments used, quality = 1.00: * HD2 LYS 49 + HA LYS 49 OK 100 100 100 100 2.2-4.6 3.0/2385=77, 3.0/2386=71...(24) HD3 LYS 49 + HA LYS 49 OK 100 100 100 100 2.3-4.9 3.0/2385=77, 3.0/2386=71...(24) HG13 ILE 50 + HA LYS 49 OK 43 97 50 89 5.4-7.1 730/3.6=40, ~4609=28...(11) HB3 LEU 37 - HA LYS 49 far 0 60 0 - 7.9-9.5 HB2 ARG 56 - HA LYS 49 far 0 87 0 - 8.0-10.7 HG3 LYS 22 - HA LYS 49 far 0 71 0 - 8.5-11.8 HG2 LYS 22 - HA LYS 49 far 0 97 0 - 9.0-10.9 Violated in 0 structures by 0.00 A. Peak 2388 from cnoeabs.peaks (1.70, 4.33, 59.98 ppm; 4.38 A): 3 out of 6 assignments used, quality = 1.00: * HD3 LYS 49 + HA LYS 49 OK 100 100 100 100 2.3-4.9 3.0/2385=77, 3.0/2386=71...(24) HD2 LYS 49 + HA LYS 49 OK 100 100 100 100 2.2-4.6 3.0/2385=77, 3.0/2386=71...(24) HG13 ILE 50 + HA LYS 49 OK 43 97 50 89 5.4-7.1 730/3.6=41, ~4609=28...(11) HB2 ARG 56 - HA LYS 49 far 0 85 0 - 8.0-10.7 HG3 LYS 22 - HA LYS 49 far 0 73 0 - 8.5-11.8 HG2 LYS 22 - HA LYS 49 far 0 96 0 - 9.0-10.9 Violated in 0 structures by 0.00 A. Peak 2391 from cnoeabs.peaks (8.54, 2.13, 33.10 ppm; 3.52 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 49 + HB2 LYS 49 OK 100 100 100 100 2.2-3.1 717=100, 718/1.8=79...(15) Violated in 0 structures by 0.00 A. Peak 2392 from cnoeabs.peaks (4.33, 2.13, 33.10 ppm; 3.94 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 49 + HB2 LYS 49 OK 100 100 100 100 2.9-3.0 3.0=100 HA ASN 54 - HB2 LYS 49 far 0 65 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HB3 LYS 49 + HB2 LYS 49 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ARG 34 - HB2 LYS 49 far 0 78 0 - 7.6-9.6 Violated in 0 structures by 0.00 A. Peak 2395 from cnoeabs.peaks (1.57, 2.13, 33.10 ppm; 3.83 A): 1 out of 4 assignments used, quality = 1.00: * HG2 LYS 49 + HB2 LYS 49 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 ARG 34 - HB2 LYS 49 far 0 92 0 - 6.4-7.7 QB ALA 31 - HB2 LYS 49 far 0 95 0 - 9.5-12.0 HG LEU 37 - HB2 LYS 49 far 0 97 0 - 9.6-11.8 Violated in 0 structures by 0.00 A. Peak 2396 from cnoeabs.peaks (1.40, 2.13, 33.10 ppm; 3.75 A): 1 out of 2 assignments used, quality = 1.00: * HG3 LYS 49 + HB2 LYS 49 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 LYS 27 - HB2 LYS 49 far 0 83 0 - 9.5-13.5 Violated in 0 structures by 0.00 A. Peak 2397 from cnoeabs.peaks (1.70, 2.13, 33.10 ppm; 3.64 A): 3 out of 4 assignments used, quality = 1.00: * HD2 LYS 49 + HB2 LYS 49 OK 100 100 100 100 2.0-4.0 3.7=98, 2435/3.0=36...(41) HD3 LYS 49 + HB2 LYS 49 OK 100 100 100 100 2.5-3.9 3.7=98, 2445/3.0=36...(38) HG13 ILE 50 + HB2 LYS 49 OK 71 97 80 92 3.1-5.4 3.0/4609=34, 4.9/3534=30...(14) HB3 LEU 37 - HB2 LYS 49 far 0 60 0 - 9.6-11.5 Violated in 0 structures by 0.00 A. Peak 2398 from cnoeabs.peaks (1.70, 2.13, 33.10 ppm; 3.64 A): 3 out of 3 assignments used, quality = 1.00: HD2 LYS 49 + HB2 LYS 49 OK 100 100 100 100 2.0-4.0 3.7=98, 2435/3.0=36...(42) * HD3 LYS 49 + HB2 LYS 49 OK 100 100 100 100 2.5-3.9 3.7=98, 2445/3.0=36...(38) HG13 ILE 50 + HB2 LYS 49 OK 72 97 80 92 3.1-5.4 3.0/4609=34, 4.9/3534=30...(14) Violated in 0 structures by 0.00 A. Peak 2399 from cnoeabs.peaks (2.98, 2.13, 33.10 ppm; 4.79 A): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 49 + HB2 LYS 49 OK 100 100 100 100 2.1-4.9 4.8=100 HE3 LYS 49 + HB2 LYS 49 OK 100 100 100 100 2.5-5.4 4.8=100 Violated in 0 structures by 0.00 A. Peak 2400 from cnoeabs.peaks (2.98, 2.13, 33.10 ppm; 4.79 A): 2 out of 2 assignments used, quality = 1.00: HE2 LYS 49 + HB2 LYS 49 OK 100 100 100 100 2.1-4.9 4.8=100 * HE3 LYS 49 + HB2 LYS 49 OK 100 100 100 100 2.5-5.4 4.8=100 Violated in 0 structures by 0.00 A. Peak 2401 from cnoeabs.peaks (8.54, 1.88, 33.10 ppm; 3.40 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 49 + HB3 LYS 49 OK 100 100 100 100 2.1-2.9 718=100, 717/1.8=76...(16) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-2.8 3.0=100 Violated in 0 structures by 0.00 A. Peak 2403 from cnoeabs.peaks (2.13, 1.88, 33.10 ppm; 2.76 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LYS 49 + HB3 LYS 49 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLN 53 - HB3 LYS 49 far 0 76 0 - 6.1-7.5 Violated in 0 structures by 0.00 A. 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 5 assignments used, quality = 1.00: * HG2 LYS 49 + HB3 LYS 49 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 ARG 34 - HB3 LYS 49 far 5 92 5 - 4.9-6.4 QB ALA 31 - HB3 LYS 49 far 0 95 0 - 8.3-10.8 HG LEU 37 - HB3 LYS 49 far 0 97 0 - 9.0-10.9 HB3 LYS 27 - HB3 LYS 49 far 0 97 0 - 9.7-13.2 Violated in 0 structures by 0.00 A. Peak 2406 from cnoeabs.peaks (1.40, 1.88, 33.10 ppm; 3.71 A): 1 out of 2 assignments used, quality = 1.00: * HG3 LYS 49 + HB3 LYS 49 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 LYS 27 - HB3 LYS 49 far 0 83 0 - 9.3-12.4 Violated in 0 structures by 0.00 A. Peak 2407 from cnoeabs.peaks (1.70, 1.88, 33.10 ppm; 3.58 A): 3 out of 6 assignments used, quality = 1.00: HD3 LYS 49 + HB3 LYS 49 OK 100 100 100 100 2.0-4.2 3.7=93, 2445/3.0=35...(35) * HD2 LYS 49 + HB3 LYS 49 OK 100 100 100 100 2.1-3.7 3.7=93, 2435/3.0=35...(34) HG13 ILE 50 + HB3 LYS 49 OK 25 97 30 85 4.3-7.0 4.9/235=29, ~4609=24...(12) HB3 LEU 37 - HB3 LYS 49 far 0 60 0 - 8.4-10.1 HB2 ARG 56 - HB3 LYS 49 far 0 87 0 - 9.8-12.7 HG3 LYS 22 - HB3 LYS 49 far 0 71 0 - 10.0-13.3 Violated in 0 structures by 0.00 A. Peak 2408 from cnoeabs.peaks (1.70, 1.88, 33.10 ppm; 3.58 A): 3 out of 5 assignments used, quality = 1.00: * HD3 LYS 49 + HB3 LYS 49 OK 100 100 100 100 2.0-4.2 3.7=93, 2445/3.0=35...(35) HD2 LYS 49 + HB3 LYS 49 OK 100 100 100 100 2.1-3.7 3.7=93, 2435/3.0=35...(34) HG13 ILE 50 + HB3 LYS 49 OK 25 97 30 85 4.3-7.0 4.9/235=29, ~4609=24...(12) HB2 ARG 56 - HB3 LYS 49 far 0 85 0 - 9.8-12.7 HG3 LYS 22 - HB3 LYS 49 far 0 73 0 - 10.0-13.3 Violated in 0 structures by 0.00 A. Peak 2409 from cnoeabs.peaks (2.98, 1.88, 33.10 ppm; 4.84 A): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 49 + HB3 LYS 49 OK 100 100 100 100 2.4-5.0 4.8=100 HE3 LYS 49 + HB3 LYS 49 OK 100 100 100 100 3.2-4.8 4.8=100 Violated in 0 structures by 0.00 A. Peak 2410 from cnoeabs.peaks (2.98, 1.88, 33.10 ppm; 4.84 A): 2 out of 2 assignments used, quality = 1.00: HE2 LYS 49 + HB3 LYS 49 OK 100 100 100 100 2.4-5.0 4.8=100 * HE3 LYS 49 + HB3 LYS 49 OK 100 100 100 100 3.2-4.8 4.8=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.9-4.6 4.9=100 Violated in 0 structures by 0.00 A. Peak 2412 from cnoeabs.peaks (4.33, 1.57, 24.91 ppm; 3.98 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 49 + HG2 LYS 49 OK 100 100 100 100 2.4-3.6 3.9=100 HA ASN 54 - HG2 LYS 49 far 0 65 0 - 8.3-11.4 Violated in 0 structures by 0.00 A. Peak 2413 from cnoeabs.peaks (2.13, 1.57, 24.91 ppm; 4.06 A): 2 out of 2 assignments used, quality = 1.00: * HB2 LYS 49 + HG2 LYS 49 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 GLN 53 + HG2 LYS 49 OK 20 76 65 41 3.8-7.6 234/5.0=16, 2383/2385=13...(6) Violated in 0 structures by 0.00 A. Peak 2414 from cnoeabs.peaks (1.88, 1.57, 24.91 ppm; 3.81 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LYS 49 + HG2 LYS 49 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 ARG 34 - HG2 LYS 49 far 0 78 0 - 6.8-10.0 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HG3 LYS 49 + HG2 LYS 49 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LYS 27 - HG2 LYS 49 far 0 83 0 - 8.1-11.7 Violated in 0 structures by 0.00 A. Peak 2417 from cnoeabs.peaks (1.70, 1.57, 24.91 ppm; 2.93 A): 2 out of 5 assignments used, quality = 1.00: * HD2 LYS 49 + HG2 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=96, 1.8/2445=36...(32) HD3 LYS 49 + HG2 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=96, 1.8/2435=36...(32) HG13 ILE 50 - HG2 LYS 49 poor 13 97 25 53 3.3-7.8 730/5.0=11, ~4609=10...(11) HB2 ARG 56 - HG2 LYS 49 far 0 87 0 - 9.2-11.5 HB3 LEU 37 - HG2 LYS 49 far 0 60 0 - 9.8-12.6 Violated in 0 structures by 0.00 A. Peak 2418 from cnoeabs.peaks (1.70, 1.57, 24.91 ppm; 2.93 A): 2 out of 4 assignments used, quality = 1.00: * HD3 LYS 49 + HG2 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=96, 1.8/2435=36...(32) HD2 LYS 49 + HG2 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=96, 1.8/2445=36...(32) HG13 ILE 50 - HG2 LYS 49 poor 13 97 25 53 3.3-7.8 730/5.0=11, ~4609=10...(11) HB2 ARG 56 - HG2 LYS 49 far 0 85 0 - 9.2-11.5 Violated in 0 structures by 0.00 A. Peak 2419 from cnoeabs.peaks (2.98, 1.57, 24.91 ppm; 4.12 A): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 49 + HG2 LYS 49 OK 100 100 100 100 2.1-3.9 3.6=100 HE3 LYS 49 + HG2 LYS 49 OK 100 100 100 100 2.1-3.7 3.6=100 Violated in 0 structures by 0.00 A. Peak 2420 from cnoeabs.peaks (2.98, 1.57, 24.91 ppm; 4.12 A): 2 out of 2 assignments used, quality = 1.00: HE2 LYS 49 + HG2 LYS 49 OK 100 100 100 100 2.1-3.9 3.6=100 * HE3 LYS 49 + HG2 LYS 49 OK 100 100 100 100 2.1-3.7 3.6=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 4.3-4.6 4.9=100 Violated in 0 structures by 0.00 A. Peak 2422 from cnoeabs.peaks (4.33, 1.40, 24.91 ppm; 4.14 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 49 + HG3 LYS 49 OK 100 100 100 100 2.3-3.9 3.9=100 HA ASN 54 - HG3 LYS 49 far 0 65 0 - 8.3-10.6 Violated in 0 structures by 0.00 A. Peak 2423 from cnoeabs.peaks (2.13, 1.40, 24.91 ppm; 3.70 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LYS 49 + HG3 LYS 49 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 GLN 53 - HG3 LYS 49 poor 18 76 70 34 3.9-6.0 234/237=14, 2413/1.8=11...(6) Violated in 0 structures by 0.00 A. Peak 2424 from cnoeabs.peaks (1.88, 1.40, 24.91 ppm; 3.59 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LYS 49 + HG3 LYS 49 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 ARG 34 - HG3 LYS 49 far 0 78 0 - 7.0-10.2 Violated in 0 structures by 0.00 A. Peak 2425 from cnoeabs.peaks (1.57, 1.40, 24.91 ppm; 2.69 A): 1 out of 4 assignments used, quality = 1.00: * HG2 LYS 49 + HG3 LYS 49 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 ARG 34 - HG3 LYS 49 far 0 92 0 - 6.2-8.8 HB3 LYS 27 - HG3 LYS 49 far 0 97 0 - 7.3-12.8 QB ALA 31 - HG3 LYS 49 far 0 95 0 - 9.0-12.6 Violated in 0 structures by 0.00 A. 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 5 assignments used, quality = 1.00: * HD2 LYS 49 + HG3 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 49 + HG3 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 HG13 ILE 50 - HG3 LYS 49 far 10 97 10 - 4.4-7.5 HB2 ARG 56 - HG3 LYS 49 far 0 87 0 - 7.6-12.2 HB3 LEU 37 - HG3 LYS 49 far 0 60 0 - 9.9-12.4 Violated in 0 structures by 0.00 A. Peak 2428 from cnoeabs.peaks (1.70, 1.40, 24.91 ppm; 3.22 A): 2 out of 4 assignments used, quality = 1.00: * HD3 LYS 49 + HG3 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 49 + HG3 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 HG13 ILE 50 - HG3 LYS 49 far 10 97 10 - 4.4-7.5 HB2 ARG 56 - HG3 LYS 49 far 0 85 0 - 7.6-12.2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-4.2 3.6=100 * HE2 LYS 49 + HG3 LYS 49 OK 100 100 100 100 2.2-4.2 3.6=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-4.2 3.6=100 HE2 LYS 49 + HG3 LYS 49 OK 100 100 100 100 2.2-4.2 3.6=100 Violated in 0 structures by 0.00 A. Peak 2432 from cnoeabs.peaks (4.33, 1.70, 29.39 ppm; 4.54 A): 3 out of 9 assignments used, quality = 1.00: * HA LYS 49 + HD2 LYS 49 OK 100 100 100 100 2.2-4.6 2385/3.0=81, 2386/3.0=75...(24) HA LYS 49 + HD3 LYS 49 OK 100 100 100 100 2.3-4.9 2385/3.0=81, 2386/3.0=75...(24) HA LYS 49 + HG13 ILE 50 OK 32 71 50 91 5.4-7.1 3.6/730=42, ~4609=31...(10) HA LEU 41 - HD2 LYS 42 poor 13 35 70 51 3.2-6.2 3.6/677=47, ~4461=5 HA GLU 67 - HG13 ILE 50 far 0 60 0 - 7.4-29.8 HA ASN 54 - HG13 ILE 50 far 0 39 0 - 7.5-9.4 HA ASN 54 - HD3 LYS 49 far 0 65 0 - 7.5-12.4 HA ASN 54 - HD2 LYS 49 far 0 65 0 - 7.8-12.2 HA HIS 36 - HD2 LYS 42 far 0 36 0 - 8.8-11.8 Violated in 0 structures by 0.00 A. Peak 2433 from cnoeabs.peaks (2.13, 1.70, 29.39 ppm; 3.66 A): 4 out of 7 assignments used, quality = 1.00: * HB2 LYS 49 + HD2 LYS 49 OK 100 100 100 100 2.0-4.0 3.7=99, 3.0/2435=36...(42) HB2 LYS 49 + HD3 LYS 49 OK 100 100 100 100 2.5-3.9 3.7=99, 3.0/2435=36...(38) HB2 LYS 49 + HG13 ILE 50 OK 59 71 90 93 3.1-5.4 4609/3.0=33, 3534/4.9=31...(14) HB3 LYS 42 + HD2 LYS 42 OK 22 22 100 99 2.2-4.2 3.8=86, 3.0/2141=36...(19) HB2 GLN 53 - HD3 LYS 49 poor 19 76 25 - 3.1-8.4 HB2 GLN 53 - HD2 LYS 49 poor 10 76 35 39 3.3-8.2 2423/3.0=9, 2413/3.0=8...(13) HB2 GLN 53 - HG13 ILE 50 far 7 46 15 - 4.9-6.2 Violated in 0 structures by 0.00 A. Peak 2434 from cnoeabs.peaks (1.88, 1.70, 29.39 ppm; 3.57 A): 3 out of 7 assignments used, quality = 1.00: * HB3 LYS 49 + HD2 LYS 49 OK 100 100 100 100 2.1-3.7 3.7=92, 3.0/2435=35...(34) HB3 LYS 49 + HD3 LYS 49 OK 100 100 100 100 2.0-4.2 3.7=92, 3.0/2435=35...(35) HB2 LYS 42 + HD2 LYS 42 OK 37 37 100 100 2.5-3.8 3.8=80, 1.8/2161=49...(19) HB3 LYS 49 - HG13 ILE 50 poor 18 71 30 86 4.3-7.0 235/4.9=29, ~4609=24...(12) HB3 ARG 34 - HD3 LYS 49 far 0 78 0 - 6.4-11.6 HG LEU 41 - HD2 LYS 42 far 0 34 0 - 6.6-9.5 HB3 ARG 34 - HD2 LYS 49 far 0 78 0 - 7.2-11.3 Violated in 0 structures by 0.00 A. Peak 2435 from cnoeabs.peaks (1.57, 1.70, 29.39 ppm; 2.72 A): 2 out of 12 assignments used, quality = 1.00: * HG2 LYS 49 + HD2 LYS 49 OK 97 100 100 97 2.3-3.0 3.0=77, 2417/1.8=27...(32) HG2 LYS 49 + HD3 LYS 49 OK 97 100 100 97 2.3-3.0 3.0=77, 2417/1.8=27...(32) HG2 LYS 49 - HG13 ILE 50 poor 14 71 20 - 3.3-7.8 HG3 ARG 34 - HD3 LYS 49 far 0 92 0 - 5.7-9.9 HG3 LYS 39 - HD2 LYS 42 far 0 22 0 - 6.0-9.1 HG3 ARG 34 - HD2 LYS 49 far 0 92 0 - 6.7-9.4 QB ALA 31 - HD3 LYS 49 far 0 94 0 - 7.7-13.2 QB ALA 31 - HD2 LYS 49 far 0 95 0 - 8.1-13.2 HB3 LYS 27 - HD2 LYS 49 far 0 97 0 - 8.1-15.2 HG LEU 37 - HD2 LYS 42 far 0 36 0 - 9.1-13.3 HG3 ARG 34 - HG13 ILE 50 far 0 60 0 - 9.1-11.4 HB3 LYS 27 - HD3 LYS 49 far 0 96 0 - 9.2-14.6 Violated in 0 structures by 0.00 A. Peak 2436 from cnoeabs.peaks (1.40, 1.70, 29.39 ppm; 3.42 A): 2 out of 5 assignments used, quality = 1.00: * HG3 LYS 49 + HD2 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 49 + HD3 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 49 - HG13 ILE 50 far 7 71 10 - 4.4-7.5 HB2 LYS 27 - HD2 LYS 49 far 0 83 0 - 8.3-14.2 HB2 LYS 27 - HD3 LYS 49 far 0 83 0 - 8.9-13.6 Violated in 0 structures by 0.00 A. Peak 2437 from cnoeabs.peaks (1.70, 1.70, 29.39 ppm; diagonal): 4 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): 4 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 8 assignments used, quality = 1.00: HE3 LYS 49 + HD2 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 * HE2 LYS 49 + HD2 LYS 49 OK 100 100 100 100 2.6-3.0 3.0=100 HE2 LYS 49 + HD3 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 49 + HD3 LYS 49 OK 100 100 100 100 2.6-3.0 3.0=100 HE2 LYS 49 - HG13 ILE 50 poor 10 71 30 48 4.1-8.9 4604/2.1=16, ~4604=12...(12) HE3 LYS 49 - HG13 ILE 50 far 4 71 5 - 4.0-8.8 HE3 LYS 39 - HD2 LYS 42 far 0 40 0 - 6.4-10.1 HE2 LYS 39 - HD2 LYS 42 far 0 40 0 - 7.3-11.8 Violated in 0 structures by 0.00 A. Peak 2440 from cnoeabs.peaks (2.98, 1.70, 29.39 ppm; 3.25 A): 4 out of 8 assignments used, quality = 1.00: * HE3 LYS 49 + HD2 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 49 + HD2 LYS 49 OK 100 100 100 100 2.6-3.0 3.0=100 HE2 LYS 49 + HD3 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 49 + HD3 LYS 49 OK 100 100 100 100 2.6-3.0 3.0=100 HE2 LYS 49 - HG13 ILE 50 poor 10 71 30 48 4.1-8.9 4604/2.1=16, ~4604=12...(12) HE3 LYS 49 - HG13 ILE 50 far 4 71 5 - 4.0-8.8 HE3 LYS 39 - HD2 LYS 42 far 0 40 0 - 6.4-10.1 HE2 LYS 39 - HD2 LYS 42 far 0 40 0 - 7.3-11.8 Violated in 0 structures by 0.00 A. Peak 2442 from cnoeabs.peaks (4.33, 1.70, 29.39 ppm; 4.54 A): 3 out of 9 assignments used, quality = 1.00: * HA LYS 49 + HD3 LYS 49 OK 100 100 100 100 2.3-4.9 2385/3.0=81, 2386/3.0=75...(24) HA LYS 49 + HD2 LYS 49 OK 100 100 100 100 2.2-4.6 2385/3.0=81, 2386/3.0=75...(24) HA LYS 49 + HG13 ILE 50 OK 33 73 50 91 5.4-7.1 3.6/730=42, ~4609=31...(10) HA LEU 41 - HD2 LYS 42 poor 11 33 70 49 3.2-6.2 3.6/677=45, ~4461=5 HA GLU 67 - HG13 ILE 50 far 0 62 0 - 7.4-29.8 HA ASN 54 - HG13 ILE 50 far 0 41 0 - 7.5-9.4 HA ASN 54 - HD3 LYS 49 far 0 65 0 - 7.5-12.4 HA ASN 54 - HD2 LYS 49 far 0 65 0 - 7.8-12.2 HA HIS 36 - HD2 LYS 42 far 0 34 0 - 8.8-11.8 Violated in 0 structures by 0.00 A. Peak 2443 from cnoeabs.peaks (2.13, 1.70, 29.39 ppm; 3.66 A): 4 out of 7 assignments used, quality = 1.00: * HB2 LYS 49 + HD3 LYS 49 OK 100 100 100 100 2.5-3.9 3.7=99, 3.0/2445=36...(38) HB2 LYS 49 + HD2 LYS 49 OK 100 100 100 100 2.0-4.0 3.7=99, 3.0/2445=36...(42) HB2 LYS 49 + HG13 ILE 50 OK 61 73 90 93 3.1-5.4 4609/3.0=33, 3534/4.9=31...(14) HB3 LYS 42 + HD2 LYS 42 OK 20 20 100 99 2.2-4.2 3.8=86, 3.0/2141=35...(19) HB2 GLN 53 - HD3 LYS 49 poor 19 76 25 - 3.1-8.4 HB2 GLN 53 - HD2 LYS 49 poor 10 76 35 39 3.3-8.2 2423/3.0=9, 2413/3.0=8...(13) HB2 GLN 53 - HG13 ILE 50 far 7 48 15 - 4.9-6.2 Violated in 0 structures by 0.00 A. Peak 2444 from cnoeabs.peaks (1.88, 1.70, 29.39 ppm; 3.57 A): 3 out of 7 assignments used, quality = 1.00: * HB3 LYS 49 + HD3 LYS 49 OK 100 100 100 100 2.0-4.2 3.7=92, 3.0/2445=35...(35) HB3 LYS 49 + HD2 LYS 49 OK 100 100 100 100 2.1-3.7 3.7=92, 3.0/2445=35...(34) HB2 LYS 42 + HD2 LYS 42 OK 35 35 100 100 2.5-3.8 3.8=80, 1.8/2161=48...(19) HB3 LYS 49 - HG13 ILE 50 poor 19 73 30 86 4.3-7.0 235/4.9=29, ~4609=24...(12) HB3 ARG 34 - HD3 LYS 49 far 0 78 0 - 6.4-11.6 HG LEU 41 - HD2 LYS 42 far 0 32 0 - 6.6-9.5 HB3 ARG 34 - HD2 LYS 49 far 0 78 0 - 7.2-11.3 Violated in 0 structures by 0.00 A. Peak 2445 from cnoeabs.peaks (1.57, 1.70, 29.39 ppm; 2.72 A): 2 out of 12 assignments used, quality = 1.00: * HG2 LYS 49 + HD3 LYS 49 OK 97 100 100 97 2.3-3.0 3.0=77, 2417/1.8=27...(32) HG2 LYS 49 + HD2 LYS 49 OK 97 100 100 97 2.3-3.0 3.0=77, 2417/1.8=27...(32) HG2 LYS 49 - HG13 ILE 50 poor 15 73 20 - 3.3-7.8 HG3 ARG 34 - HD3 LYS 49 far 0 92 0 - 5.7-9.9 HG3 LYS 39 - HD2 LYS 42 far 0 20 0 - 6.0-9.1 HG3 ARG 34 - HD2 LYS 49 far 0 92 0 - 6.7-9.4 QB ALA 31 - HD3 LYS 49 far 0 95 0 - 7.7-13.2 QB ALA 31 - HD2 LYS 49 far 0 94 0 - 8.1-13.2 HB3 LYS 27 - HD2 LYS 49 far 0 96 0 - 8.1-15.2 HG LEU 37 - HD2 LYS 42 far 0 34 0 - 9.1-13.3 HG3 ARG 34 - HG13 ILE 50 far 0 62 0 - 9.1-11.4 HB3 LYS 27 - HD3 LYS 49 far 0 97 0 - 9.2-14.6 Violated in 0 structures by 0.00 A. Peak 2446 from cnoeabs.peaks (1.40, 1.70, 29.39 ppm; 3.42 A): 2 out of 5 assignments used, quality = 1.00: * HG3 LYS 49 + HD3 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 49 + HD2 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 49 - HG13 ILE 50 far 7 73 10 - 4.4-7.5 HB2 LYS 27 - HD2 LYS 49 far 0 83 0 - 8.3-14.2 HB2 LYS 27 - HD3 LYS 49 far 0 83 0 - 8.9-13.6 Violated in 0 structures by 0.00 A. Peak 2447 from cnoeabs.peaks (1.70, 1.70, 29.39 ppm; diagonal): 4 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): 4 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 8 assignments used, quality = 1.00: * HE2 LYS 49 + HD3 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 49 + HD3 LYS 49 OK 100 100 100 100 2.6-3.0 3.0=100 HE3 LYS 49 + HD2 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 49 + HD2 LYS 49 OK 100 100 100 100 2.6-3.0 3.0=100 HE2 LYS 49 - HG13 ILE 50 poor 11 73 30 48 4.1-8.9 4604/2.1=16, ~4604=12...(12) HE3 LYS 49 - HG13 ILE 50 far 4 73 5 - 4.0-8.8 HE3 LYS 39 - HD2 LYS 42 far 0 37 0 - 6.4-10.1 HE2 LYS 39 - HD2 LYS 42 far 0 37 0 - 7.3-11.8 Violated in 0 structures by 0.00 A. Peak 2450 from cnoeabs.peaks (2.98, 1.70, 29.39 ppm; 3.25 A): 4 out of 8 assignments used, quality = 1.00: HE2 LYS 49 + HD3 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 * HE3 LYS 49 + HD3 LYS 49 OK 100 100 100 100 2.6-3.0 3.0=100 HE3 LYS 49 + HD2 LYS 49 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 49 + HD2 LYS 49 OK 100 100 100 100 2.6-3.0 3.0=100 HE2 LYS 49 - HG13 ILE 50 poor 11 73 30 48 4.1-8.9 4604/2.1=16, ~4604=12...(12) HE3 LYS 49 - HG13 ILE 50 far 4 73 5 - 4.0-8.8 HE3 LYS 39 - HD2 LYS 42 far 0 37 0 - 6.4-10.1 HE2 LYS 39 - HD2 LYS 42 far 0 37 0 - 7.3-11.8 Violated in 0 structures by 0.00 A. Peak 2452 from cnoeabs.peaks (4.33, 2.98, 42.17 ppm; 3.69 A): 4 out of 20 assignments used, quality = 0.93: * HA LYS 49 + HE2 LYS 49 OK 53 100 55 97 4.6-5.9 2385/3.6=50, 2386/3.6=45...(18) HA HIS 36 + HE2 LYS 39 OK 49 53 100 92 2.6-4.2 4368/3.6=42, 4788/3.6=34...(13) HA LYS 49 + HE3 LYS 49 OK 48 100 50 97 4.0-6.0 2385/3.6=50, 2386/3.6=45...(18) HA HIS 36 + HE3 LYS 39 OK 44 53 90 92 3.6-5.5 4368/3.6=42, 4788/3.6=34...(13) HA GLN 63 - HE3 LYS 62 far 9 87 10 - 4.8-9.3 HA GLN 63 - HE2 LYS 60 far 5 92 5 - 3.6-13.8 HA GLN 63 - HE3 LYS 60 far 5 92 5 - 4.9-13.8 HA GLN 63 - HE2 LYS 62 far 0 91 0 - 5.7-8.9 HA ASN 54 - HE2 LYS 60 far 0 64 0 - 6.6-16.8 HA GLU 67 - HE3 LYS 62 far 0 85 0 - 6.9-19.2 HA ASN 54 - HE3 LYS 49 far 0 65 0 - 7.1-12.3 HA GLU 67 - HE2 LYS 62 far 0 89 0 - 7.5-19.6 HA ASN 54 - HE3 LYS 60 far 0 64 0 - 7.5-17.0 HA ASN 54 - HE2 LYS 62 far 0 63 0 - 7.7-20.8 HA ASN 54 - HE2 LYS 49 far 0 65 0 - 8.1-13.0 HA ASN 54 - HE3 LYS 62 far 0 59 0 - 8.5-21.0 HA LYS 22 - HE2 LYS 62 far 0 73 0 - 8.9-26.7 HA LEU 41 - HE3 LYS 39 far 0 52 0 - 9.0-10.1 HA LEU 41 - HE2 LYS 39 far 0 52 0 - 9.0-11.0 HA GLU 67 - HE3 LYS 60 far 0 90 0 - 9.1-22.5 Violated in 2 structures by 0.00 A. Peak 2454 from cnoeabs.peaks (1.88, 2.98, 42.17 ppm; 3.92 A): 2 out of 9 assignments used, quality = 1.00: * HB3 LYS 49 + HE2 LYS 49 OK 99 100 100 99 2.4-5.0 4.8=55, 2407/3.0=29...(31) HB3 LYS 49 + HE3 LYS 49 OK 99 100 100 99 3.2-4.8 4.8=55, 2407/3.0=29...(31) HG2 ARG 21 - HE3 LYS 62 far 0 71 0 - 7.8-27.7 HB3 ARG 34 - HE2 LYS 49 far 0 78 0 - 8.3-11.5 HG2 ARG 21 - HE2 LYS 62 far 0 75 0 - 8.5-28.4 HB3 ARG 34 - HE3 LYS 49 far 0 78 0 - 8.7-11.3 HG LEU 41 - HE2 LYS 39 far 0 50 0 - 8.7-11.8 HB2 LYS 42 - HE3 LYS 39 far 0 55 0 - 9.2-10.2 HG LEU 41 - HE3 LYS 39 far 0 50 0 - 9.3-11.3 Violated in 4 structures by 0.01 A. Peak 2455 from cnoeabs.peaks (1.57, 2.98, 42.17 ppm; 3.31 A): 4 out of 23 assignments used, quality = 1.00: * HG2 LYS 49 + HE2 LYS 49 OK 99 100 100 99 2.1-3.9 3.6=77, 2445/3.0=31...(28) HG2 LYS 49 + HE3 LYS 49 OK 99 100 100 99 2.1-3.7 3.6=77, 2445/3.0=31...(28) HG3 LYS 39 + HE3 LYS 39 OK 32 33 100 96 2.1-3.7 3.6=76, 2032/3.0=17...(44) HG3 LYS 39 + HE2 LYS 39 OK 32 33 100 96 2.8-4.2 3.6=76, 2032/3.0=17...(44) HG2 ARG 61 - HE2 LYS 60 far 7 70 10 - 2.4-10.4 HG2 ARG 61 - HE2 LYS 62 far 7 68 10 - 4.4-10.9 HG3 ARG 61 - HE2 LYS 60 far 4 72 5 - 3.3-10.5 HG3 ARG 61 - HE2 LYS 62 far 4 71 5 - 4.1-11.9 HG2 ARG 61 - HE3 LYS 60 far 3 69 5 - 3.9-10.8 HG3 ARG 61 - HE3 LYS 62 far 3 67 5 - 3.0-11.1 HG2 ARG 61 - HE3 LYS 62 far 3 64 5 - 3.4-10.3 HG3 ARG 61 - HE3 LYS 60 far 0 71 0 - 5.0-10.8 HG3 ARG 34 - HE2 LYS 49 far 0 92 0 - 7.8-10.6 HG3 ARG 34 - HE3 LYS 49 far 0 92 0 - 8.0-10.2 QB ALA 31 - HE2 LYS 49 far 0 95 0 - 8.4-12.7 HB3 LYS 27 - HE2 LYS 60 far 0 96 0 - 8.8-18.3 HB3 LYS 27 - HE3 LYS 49 far 0 97 0 - 8.8-16.2 HB3 LYS 27 - HE3 LYS 60 far 0 95 0 - 9.1-19.1 HG LEU 37 - HE3 LYS 39 far 0 53 0 - 9.2-11.4 HG LEU 37 - HE2 LYS 39 far 0 53 0 - 9.2-11.5 HB3 LYS 27 - HE3 LYS 62 far 0 91 0 - 9.2-22.3 QB ALA 31 - HE3 LYS 49 far 0 95 0 - 9.6-12.5 QB ALA 31 - HE2 LYS 39 far 0 51 0 - 10.0-12.5 Violated in 0 structures by 0.00 A. Peak 2456 from cnoeabs.peaks (1.40, 2.98, 42.17 ppm; 3.61 A): 6 out of 20 assignments used, quality = 1.00: HG3 LYS 49 + HE3 LYS 49 OK 100 100 100 100 2.1-4.2 3.6=100 * HG3 LYS 49 + HE2 LYS 49 OK 100 100 100 100 2.2-4.2 3.6=100 HG2 LYS 60 + HE2 LYS 60 OK 61 62 100 99 2.4-4.1 3.9=77, 3.0/2997=13...(54) HG2 LYS 60 + HE3 LYS 60 OK 60 61 100 99 2.1-4.2 3.9=77, 3.0/2997=13...(54) HG3 LYS 60 + HE2 LYS 60 OK 58 59 100 99 2.1-4.2 3.9=77, 3.0/2997=13...(54) HG3 LYS 60 + HE3 LYS 60 OK 58 58 100 99 2.1-3.7 3.9=77, 3.0/2997=13...(54) HG3 LYS 60 - HE2 LYS 62 far 0 57 0 - 5.5-12.7 HG2 LYS 60 - HE3 LYS 62 far 0 57 0 - 5.5-12.7 HG3 LYS 60 - HE3 LYS 62 far 0 54 0 - 5.8-13.7 HG2 LYS 60 - HE2 LYS 62 far 0 60 0 - 5.9-13.0 HG13 ILE 17 - HE3 LYS 62 far 0 71 0 - 6.2-28.5 HG13 ILE 17 - HE2 LYS 62 far 0 75 0 - 7.7-28.9 HB2 LYS 27 - HE3 LYS 62 far 0 76 0 - 7.9-21.0 HB2 LYS 27 - HE2 LYS 60 far 0 82 0 - 7.9-16.7 HB2 LYS 27 - HE3 LYS 60 far 0 81 0 - 8.3-17.4 HB2 LYS 27 - HE3 LYS 49 far 0 83 0 - 8.6-15.4 HB2 LYS 27 - HE2 LYS 62 far 0 80 0 - 9.6-20.6 HB3 LEU 41 - HE3 LYS 39 far 0 28 0 - 9.6-11.5 HB3 LEU 41 - HE2 LYS 39 far 0 28 0 - 9.8-12.3 HB2 LYS 27 - HE2 LYS 49 far 0 83 0 - 9.8-14.1 Violated in 0 structures by 0.00 A. Peak 2457 from cnoeabs.peaks (1.70, 2.98, 42.17 ppm; 2.66 A): 8 out of 30 assignments used, quality = 1.00: * HD2 LYS 49 + HE2 LYS 49 OK 88 100 100 88 2.6-3.0 3.0=71, 2435/3.6=15...(17) HD3 LYS 49 + HE2 LYS 49 OK 88 100 100 88 2.3-3.0 3.0=71, 2445/3.6=15...(17) HD2 LYS 49 + HE3 LYS 49 OK 88 100 100 88 2.3-3.0 3.0=71, 2435/3.6=15...(17) HD3 LYS 49 + HE3 LYS 49 OK 88 100 100 88 2.6-3.0 3.0=71, 2445/3.6=15...(17) HD2 LYS 39 + HE2 LYS 39 OK 47 55 100 85 2.4-3.0 3.0=70, 2040/3.6=15...(17) HD2 LYS 39 + HE3 LYS 39 OK 47 55 100 85 2.4-3.0 3.0=70, 2040/3.6=15...(17) HD3 LYS 39 + HE2 LYS 39 OK 47 55 100 85 2.2-2.5 3.0=70, 2040/3.6=15...(17) HD3 LYS 39 + HE3 LYS 39 OK 47 55 100 85 2.7-3.0 3.0=70, 2040/3.6=15...(17) HG13 ILE 50 - HE2 LYS 49 far 10 97 10 - 4.1-8.9 HB3 LYS 58 - HE3 LYS 62 far 6 57 10 - 4.1-18.0 HG13 ILE 50 - HE3 LYS 49 far 5 97 5 - 4.0-8.8 HB3 ARG 61 - HE3 LYS 62 far 3 67 5 - 3.8-9.2 HB3 LYS 58 - HE3 LYS 60 far 3 61 5 - 4.1-12.8 HB3 LYS 58 - HE2 LYS 62 far 3 60 5 - 4.1-17.8 HB3 ARG 61 - HE3 LYS 60 far 0 71 0 - 4.6-9.8 HB3 ARG 61 - HE2 LYS 62 far 0 71 0 - 4.6-9.5 HB2 ARG 56 - HE3 LYS 60 far 0 85 0 - 4.7-14.1 HB2 ARG 56 - HE2 LYS 60 far 0 86 0 - 5.0-14.5 HB3 ARG 61 - HE2 LYS 60 far 0 72 0 - 5.1-9.4 HB3 LYS 58 - HE2 LYS 60 far 0 62 0 - 5.2-12.8 HB2 ARG 56 - HE3 LYS 62 far 0 80 0 - 5.5-19.2 HD2 LYS 42 - HE3 LYS 39 far 0 46 0 - 6.4-10.1 HB2 ARG 56 - HE2 LYS 62 far 0 84 0 - 7.1-18.7 HB2 ARG 56 - HE3 LYS 49 far 0 87 0 - 7.2-13.6 HD2 LYS 42 - HE2 LYS 39 far 0 46 0 - 7.3-11.8 HB3 LEU 37 - HE2 LYS 39 far 0 28 0 - 8.1-9.7 HB3 LEU 37 - HE3 LYS 39 far 0 28 0 - 8.3-10.2 HB2 ARG 56 - HE2 LYS 49 far 0 87 0 - 8.9-13.8 HG2 LYS 22 - HE3 LYS 39 far 0 53 0 - 9.6-14.4 HG2 LYS 22 - HE2 LYS 39 far 0 53 0 - 9.9-13.9 Violated in 0 structures by 0.00 A. Peak 2458 from cnoeabs.peaks (1.70, 2.98, 42.17 ppm; 2.66 A): 8 out of 28 assignments used, quality = 1.00: HD2 LYS 49 + HE2 LYS 49 OK 88 100 100 88 2.6-3.0 3.0=71, 2435/3.6=15...(17) * HD3 LYS 49 + HE2 LYS 49 OK 88 100 100 88 2.3-3.0 3.0=71, 2445/3.6=15...(17) HD2 LYS 49 + HE3 LYS 49 OK 88 100 100 88 2.3-3.0 3.0=71, 2435/3.6=15...(17) HD3 LYS 49 + HE3 LYS 49 OK 88 100 100 88 2.6-3.0 3.0=71, 2445/3.6=15...(17) HD2 LYS 39 + HE2 LYS 39 OK 47 56 100 85 2.4-3.0 3.0=70, 2040/3.6=15...(17) HD2 LYS 39 + HE3 LYS 39 OK 47 56 100 85 2.4-3.0 3.0=70, 2040/3.6=15...(17) HD3 LYS 39 + HE2 LYS 39 OK 47 56 100 85 2.2-2.5 3.0=70, 2040/3.6=15...(17) HD3 LYS 39 + HE3 LYS 39 OK 47 56 100 85 2.7-3.0 3.0=70, 2040/3.6=15...(17) HG13 ILE 50 - HE2 LYS 49 far 10 97 10 - 4.1-8.9 HB3 LYS 58 - HE3 LYS 62 far 5 54 10 - 4.1-18.0 HG13 ILE 50 - HE3 LYS 49 far 5 97 5 - 4.0-8.8 HB3 ARG 61 - HE3 LYS 62 far 3 64 5 - 3.8-9.2 HB3 LYS 58 - HE3 LYS 60 far 3 58 5 - 4.1-12.8 HB3 LYS 58 - HE2 LYS 62 far 3 57 5 - 4.1-17.8 HB3 ARG 61 - HE3 LYS 60 far 0 69 0 - 4.6-9.8 HB3 ARG 61 - HE2 LYS 62 far 0 68 0 - 4.6-9.5 HB2 ARG 56 - HE3 LYS 60 far 0 83 0 - 4.7-14.1 HB2 ARG 56 - HE2 LYS 60 far 0 84 0 - 5.0-14.5 HB3 ARG 61 - HE2 LYS 60 far 0 70 0 - 5.1-9.4 HB3 LYS 58 - HE2 LYS 60 far 0 59 0 - 5.2-12.8 HB2 ARG 56 - HE3 LYS 62 far 0 78 0 - 5.5-19.2 HD2 LYS 42 - HE3 LYS 39 far 0 45 0 - 6.4-10.1 HB2 ARG 56 - HE2 LYS 62 far 0 82 0 - 7.1-18.7 HB2 ARG 56 - HE3 LYS 49 far 0 85 0 - 7.2-13.6 HD2 LYS 42 - HE2 LYS 39 far 0 45 0 - 7.3-11.8 HB2 ARG 56 - HE2 LYS 49 far 0 85 0 - 8.9-13.8 HG2 LYS 22 - HE3 LYS 39 far 0 52 0 - 9.6-14.4 HG2 LYS 22 - HE2 LYS 39 far 0 52 0 - 9.9-13.9 Violated in 0 structures by 0.00 A. 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): 4 out of 20 assignments used, quality = 0.93: HA LYS 49 + HE2 LYS 49 OK 53 100 55 97 4.6-5.9 2385/3.6=50, 2386/3.6=45...(18) HA HIS 36 + HE2 LYS 39 OK 49 53 100 92 2.6-4.2 4368/3.6=42, 4788/3.6=34...(13) * HA LYS 49 + HE3 LYS 49 OK 48 100 50 97 4.0-6.0 2385/3.6=50, 2386/3.6=45...(18) HA HIS 36 + HE3 LYS 39 OK 44 53 90 92 3.6-5.5 4368/3.6=42, 4788/3.6=34...(13) HA GLN 63 - HE3 LYS 62 far 9 87 10 - 4.8-9.3 HA GLN 63 - HE2 LYS 60 far 5 92 5 - 3.6-13.8 HA GLN 63 - HE3 LYS 60 far 5 92 5 - 4.9-13.8 HA GLN 63 - HE2 LYS 62 far 0 91 0 - 5.7-8.9 HA ASN 54 - HE2 LYS 60 far 0 64 0 - 6.6-16.8 HA GLU 67 - HE3 LYS 62 far 0 85 0 - 6.9-19.2 HA ASN 54 - HE3 LYS 49 far 0 65 0 - 7.1-12.3 HA GLU 67 - HE2 LYS 62 far 0 89 0 - 7.5-19.6 HA ASN 54 - HE3 LYS 60 far 0 64 0 - 7.5-17.0 HA ASN 54 - HE2 LYS 62 far 0 63 0 - 7.7-20.8 HA ASN 54 - HE2 LYS 49 far 0 65 0 - 8.1-13.0 HA ASN 54 - HE3 LYS 62 far 0 59 0 - 8.5-21.0 HA LYS 22 - HE2 LYS 62 far 0 73 0 - 8.9-26.7 HA LEU 41 - HE3 LYS 39 far 0 52 0 - 9.0-10.1 HA LEU 41 - HE2 LYS 39 far 0 52 0 - 9.0-11.0 HA GLU 67 - HE3 LYS 60 far 0 90 0 - 9.1-22.5 Violated in 2 structures by 0.00 A. Peak 2464 from cnoeabs.peaks (1.88, 2.98, 42.17 ppm; 3.92 A): 2 out of 9 assignments used, quality = 1.00: HB3 LYS 49 + HE2 LYS 49 OK 99 100 100 99 2.4-5.0 4.8=55, 2407/3.0=29...(31) * HB3 LYS 49 + HE3 LYS 49 OK 99 100 100 99 3.2-4.8 4.8=55, 2407/3.0=29...(31) HG2 ARG 21 - HE3 LYS 62 far 0 71 0 - 7.8-27.7 HB3 ARG 34 - HE2 LYS 49 far 0 78 0 - 8.3-11.5 HG2 ARG 21 - HE2 LYS 62 far 0 75 0 - 8.5-28.4 HB3 ARG 34 - HE3 LYS 49 far 0 78 0 - 8.7-11.3 HG LEU 41 - HE2 LYS 39 far 0 50 0 - 8.7-11.8 HB2 LYS 42 - HE3 LYS 39 far 0 55 0 - 9.2-10.2 HG LEU 41 - HE3 LYS 39 far 0 50 0 - 9.3-11.3 Violated in 4 structures by 0.01 A. Peak 2465 from cnoeabs.peaks (1.57, 2.98, 42.17 ppm; 3.31 A): 4 out of 23 assignments used, quality = 1.00: HG2 LYS 49 + HE2 LYS 49 OK 99 100 100 99 2.1-3.9 3.6=77, 2445/3.0=31...(28) * HG2 LYS 49 + HE3 LYS 49 OK 99 100 100 99 2.1-3.7 3.6=77, 2445/3.0=31...(28) HG3 LYS 39 + HE3 LYS 39 OK 32 33 100 96 2.1-3.7 3.6=76, 2032/3.0=17...(44) HG3 LYS 39 + HE2 LYS 39 OK 32 33 100 96 2.8-4.2 3.6=76, 2032/3.0=17...(44) HG2 ARG 61 - HE2 LYS 60 far 7 70 10 - 2.4-10.4 HG2 ARG 61 - HE2 LYS 62 far 7 68 10 - 4.4-10.9 HG3 ARG 61 - HE2 LYS 60 far 4 72 5 - 3.3-10.5 HG3 ARG 61 - HE2 LYS 62 far 4 71 5 - 4.1-11.9 HG2 ARG 61 - HE3 LYS 60 far 3 69 5 - 3.9-10.8 HG3 ARG 61 - HE3 LYS 62 far 3 67 5 - 3.0-11.1 HG2 ARG 61 - HE3 LYS 62 far 3 64 5 - 3.4-10.3 HG3 ARG 61 - HE3 LYS 60 far 0 71 0 - 5.0-10.8 HG3 ARG 34 - HE2 LYS 49 far 0 92 0 - 7.8-10.6 HG3 ARG 34 - HE3 LYS 49 far 0 92 0 - 8.0-10.2 QB ALA 31 - HE2 LYS 49 far 0 95 0 - 8.4-12.7 HB3 LYS 27 - HE2 LYS 60 far 0 96 0 - 8.8-18.3 HB3 LYS 27 - HE3 LYS 49 far 0 97 0 - 8.8-16.2 HB3 LYS 27 - HE3 LYS 60 far 0 95 0 - 9.1-19.1 HG LEU 37 - HE3 LYS 39 far 0 53 0 - 9.2-11.4 HG LEU 37 - HE2 LYS 39 far 0 53 0 - 9.2-11.5 HB3 LYS 27 - HE3 LYS 62 far 0 91 0 - 9.2-22.3 QB ALA 31 - HE3 LYS 49 far 0 95 0 - 9.6-12.5 QB ALA 31 - HE2 LYS 39 far 0 51 0 - 10.0-12.5 Violated in 0 structures by 0.00 A. Peak 2466 from cnoeabs.peaks (1.40, 2.98, 42.17 ppm; 3.61 A): 6 out of 20 assignments used, quality = 1.00: * HG3 LYS 49 + HE3 LYS 49 OK 100 100 100 100 2.1-4.2 3.6=100 HG3 LYS 49 + HE2 LYS 49 OK 100 100 100 100 2.2-4.2 3.6=100 HG2 LYS 60 + HE2 LYS 60 OK 61 62 100 99 2.4-4.1 3.9=77, 3.0/2997=13...(54) HG2 LYS 60 + HE3 LYS 60 OK 60 61 100 99 2.1-4.2 3.9=77, 3.0/2997=13...(54) HG3 LYS 60 + HE2 LYS 60 OK 58 59 100 99 2.1-4.2 3.9=77, 3.0/2997=13...(54) HG3 LYS 60 + HE3 LYS 60 OK 58 58 100 99 2.1-3.7 3.9=77, 3.0/2997=13...(54) HG3 LYS 60 - HE2 LYS 62 far 0 57 0 - 5.5-12.7 HG2 LYS 60 - HE3 LYS 62 far 0 57 0 - 5.5-12.7 HG3 LYS 60 - HE3 LYS 62 far 0 54 0 - 5.8-13.7 HG2 LYS 60 - HE2 LYS 62 far 0 60 0 - 5.9-13.0 HG13 ILE 17 - HE3 LYS 62 far 0 71 0 - 6.2-28.5 HG13 ILE 17 - HE2 LYS 62 far 0 75 0 - 7.7-28.9 HB2 LYS 27 - HE3 LYS 62 far 0 76 0 - 7.9-21.0 HB2 LYS 27 - HE2 LYS 60 far 0 82 0 - 7.9-16.7 HB2 LYS 27 - HE3 LYS 60 far 0 81 0 - 8.3-17.4 HB2 LYS 27 - HE3 LYS 49 far 0 83 0 - 8.6-15.4 HB2 LYS 27 - HE2 LYS 62 far 0 80 0 - 9.6-20.6 HB3 LEU 41 - HE3 LYS 39 far 0 28 0 - 9.6-11.5 HB3 LEU 41 - HE2 LYS 39 far 0 28 0 - 9.8-12.3 HB2 LYS 27 - HE2 LYS 49 far 0 83 0 - 9.8-14.1 Violated in 0 structures by 0.00 A. Peak 2467 from cnoeabs.peaks (1.70, 2.98, 42.17 ppm; 2.66 A): 8 out of 30 assignments used, quality = 1.00: HD2 LYS 49 + HE2 LYS 49 OK 88 100 100 88 2.6-3.0 3.0=71, 2435/3.6=15...(17) HD3 LYS 49 + HE2 LYS 49 OK 88 100 100 88 2.3-3.0 3.0=71, 2445/3.6=15...(17) * HD2 LYS 49 + HE3 LYS 49 OK 88 100 100 88 2.3-3.0 3.0=71, 2435/3.6=15...(17) HD3 LYS 49 + HE3 LYS 49 OK 88 100 100 88 2.6-3.0 3.0=71, 2445/3.6=15...(17) HD2 LYS 39 + HE2 LYS 39 OK 47 55 100 85 2.4-3.0 3.0=70, 2040/3.6=15...(17) HD2 LYS 39 + HE3 LYS 39 OK 47 55 100 85 2.4-3.0 3.0=70, 2040/3.6=15...(17) HD3 LYS 39 + HE2 LYS 39 OK 47 55 100 85 2.2-2.5 3.0=70, 2040/3.6=15...(17) HD3 LYS 39 + HE3 LYS 39 OK 47 55 100 85 2.7-3.0 3.0=70, 2040/3.6=15...(17) HG13 ILE 50 - HE2 LYS 49 far 10 97 10 - 4.1-8.9 HB3 LYS 58 - HE3 LYS 62 far 6 57 10 - 4.1-18.0 HG13 ILE 50 - HE3 LYS 49 far 5 97 5 - 4.0-8.8 HB3 ARG 61 - HE3 LYS 62 far 3 67 5 - 3.8-9.2 HB3 LYS 58 - HE3 LYS 60 far 3 61 5 - 4.1-12.8 HB3 LYS 58 - HE2 LYS 62 far 3 60 5 - 4.1-17.8 HB3 ARG 61 - HE3 LYS 60 far 0 71 0 - 4.6-9.8 HB3 ARG 61 - HE2 LYS 62 far 0 71 0 - 4.6-9.5 HB2 ARG 56 - HE3 LYS 60 far 0 85 0 - 4.7-14.1 HB2 ARG 56 - HE2 LYS 60 far 0 86 0 - 5.0-14.5 HB3 ARG 61 - HE2 LYS 60 far 0 72 0 - 5.1-9.4 HB3 LYS 58 - HE2 LYS 60 far 0 62 0 - 5.2-12.8 HB2 ARG 56 - HE3 LYS 62 far 0 80 0 - 5.5-19.2 HD2 LYS 42 - HE3 LYS 39 far 0 46 0 - 6.4-10.1 HB2 ARG 56 - HE2 LYS 62 far 0 84 0 - 7.1-18.7 HB2 ARG 56 - HE3 LYS 49 far 0 87 0 - 7.2-13.6 HD2 LYS 42 - HE2 LYS 39 far 0 46 0 - 7.3-11.8 HB3 LEU 37 - HE2 LYS 39 far 0 28 0 - 8.1-9.7 HB3 LEU 37 - HE3 LYS 39 far 0 28 0 - 8.3-10.2 HB2 ARG 56 - HE2 LYS 49 far 0 87 0 - 8.9-13.8 HG2 LYS 22 - HE3 LYS 39 far 0 53 0 - 9.6-14.4 HG2 LYS 22 - HE2 LYS 39 far 0 53 0 - 9.9-13.9 Violated in 0 structures by 0.00 A. Peak 2468 from cnoeabs.peaks (1.70, 2.98, 42.17 ppm; 2.66 A): 8 out of 28 assignments used, quality = 1.00: HD2 LYS 49 + HE2 LYS 49 OK 88 100 100 88 2.6-3.0 3.0=71, 2435/3.6=15...(17) HD3 LYS 49 + HE2 LYS 49 OK 88 100 100 88 2.3-3.0 3.0=71, 2445/3.6=15...(17) HD2 LYS 49 + HE3 LYS 49 OK 88 100 100 88 2.3-3.0 3.0=71, 2435/3.6=15...(17) * HD3 LYS 49 + HE3 LYS 49 OK 88 100 100 88 2.6-3.0 3.0=71, 2445/3.6=15...(17) HD2 LYS 39 + HE2 LYS 39 OK 47 56 100 85 2.4-3.0 3.0=70, 2040/3.6=15...(17) HD2 LYS 39 + HE3 LYS 39 OK 47 56 100 85 2.4-3.0 3.0=70, 2040/3.6=15...(17) HD3 LYS 39 + HE2 LYS 39 OK 47 56 100 85 2.2-2.5 3.0=70, 2040/3.6=15...(17) HD3 LYS 39 + HE3 LYS 39 OK 47 56 100 85 2.7-3.0 3.0=70, 2040/3.6=15...(17) HG13 ILE 50 - HE2 LYS 49 far 10 97 10 - 4.1-8.9 HB3 LYS 58 - HE3 LYS 62 far 5 54 10 - 4.1-18.0 HG13 ILE 50 - HE3 LYS 49 far 5 97 5 - 4.0-8.8 HB3 ARG 61 - HE3 LYS 62 far 3 64 5 - 3.8-9.2 HB3 LYS 58 - HE3 LYS 60 far 3 58 5 - 4.1-12.8 HB3 LYS 58 - HE2 LYS 62 far 3 57 5 - 4.1-17.8 HB3 ARG 61 - HE3 LYS 60 far 0 69 0 - 4.6-9.8 HB3 ARG 61 - HE2 LYS 62 far 0 68 0 - 4.6-9.5 HB2 ARG 56 - HE3 LYS 60 far 0 83 0 - 4.7-14.1 HB2 ARG 56 - HE2 LYS 60 far 0 84 0 - 5.0-14.5 HB3 ARG 61 - HE2 LYS 60 far 0 70 0 - 5.1-9.4 HB3 LYS 58 - HE2 LYS 60 far 0 59 0 - 5.2-12.8 HB2 ARG 56 - HE3 LYS 62 far 0 78 0 - 5.5-19.2 HD2 LYS 42 - HE3 LYS 39 far 0 45 0 - 6.4-10.1 HB2 ARG 56 - HE2 LYS 62 far 0 82 0 - 7.1-18.7 HB2 ARG 56 - HE3 LYS 49 far 0 85 0 - 7.2-13.6 HD2 LYS 42 - HE2 LYS 39 far 0 45 0 - 7.3-11.8 HB2 ARG 56 - HE2 LYS 49 far 0 85 0 - 8.9-13.8 HG2 LYS 22 - HE3 LYS 39 far 0 52 0 - 9.6-14.4 HG2 LYS 22 - HE2 LYS 39 far 0 52 0 - 9.9-13.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.7-2.8 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2474 from cnoeabs.peaks (0.91, 3.77, 64.05 ppm; 3.14 A): 1 out of 3 assignments used, quality = 1.00: * QG2 ILE 50 + HA ILE 50 OK 100 100 100 100 2.3-2.4 3.2=95, 3.2/2475=42...(23) QD1 LEU 64 - HA ILE 50 far 0 99 0 - 8.1-25.4 QD2 LEU 37 - HA ILE 50 far 0 100 0 - 9.2-12.4 Violated in 0 structures by 0.00 A. Peak 2475 from cnoeabs.peaks (1.29, 3.77, 64.05 ppm; 3.44 A): 1 out of 2 assignments used, quality = 1.00: * HG12 ILE 50 + HA ILE 50 OK 100 100 100 100 2.4-3.3 2493=87, 2.1/2477=62...(23) QG2 THR 44 - HA ILE 50 far 0 99 0 - 9.7-10.9 Violated in 0 structures by 0.00 A. Peak 2476 from cnoeabs.peaks (1.69, 3.77, 64.05 ppm; 3.63 A): 3 out of 4 assignments used, quality = 1.00: * HG13 ILE 50 + HA ILE 50 OK 100 100 100 100 2.8-3.7 1.8/2475=78, 4.0=73...(17) HD2 LYS 49 + HA ILE 50 OK 35 97 45 81 2.7-6.9 3.7/3804=19, ~237=19...(15) HD3 LYS 49 + HA ILE 50 OK 22 97 30 75 2.2-6.8 3.7/3804=19, ~237=19...(12) HB2 ARG 56 - HA ILE 50 far 0 60 0 - 7.6-9.9 Violated in 5 structures by 0.01 A. Peak 2477 from cnoeabs.peaks (0.80, 3.77, 64.05 ppm; 3.63 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 50 + HA ILE 50 OK 100 100 100 100 2.0-3.8 2507=87, 2.1/2475=72...(22) Violated in 11 structures by 0.06 A. Peak 2478 from cnoeabs.peaks (8.69, 1.94, 37.64 ppm; 3.30 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 50 + HB ILE 50 OK 100 100 100 100 2.4-2.7 727=100, 728/2.1=51...(15) Violated in 0 structures by 0.00 A. Peak 2479 from cnoeabs.peaks (3.77, 1.94, 37.64 ppm; 3.81 A): 1 out of 3 assignments used, quality = 1.00: * HA ILE 50 + HB ILE 50 OK 100 100 100 100 3.0-3.0 3.0=100 HA PHE 52 - HB ILE 50 far 0 89 0 - 7.5-7.7 HA3 GLY 69 - HB ILE 50 far 0 65 0 - 9.3-34.7 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * QG2 ILE 50 + HB ILE 50 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 37 - HB ILE 50 far 0 100 0 - 8.4-11.7 Violated in 0 structures by 0.00 A. Peak 2482 from cnoeabs.peaks (1.29, 1.94, 37.64 ppm; 3.70 A): 1 out of 2 assignments used, quality = 1.00: * HG12 ILE 50 + HB ILE 50 OK 100 100 100 100 2.4-3.0 3.0=100 QG2 THR 44 - HB ILE 50 far 0 99 0 - 7.7-9.2 Violated in 0 structures by 0.00 A. Peak 2483 from cnoeabs.peaks (1.69, 1.94, 37.64 ppm; 3.51 A): 1 out of 5 assignments used, quality = 1.00: * HG13 ILE 50 + HB ILE 50 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 49 - HB ILE 50 poor 19 97 20 - 4.6-8.6 HD3 LYS 49 - HB ILE 50 far 5 97 5 - 4.5-8.0 HB2 ARG 56 - HB ILE 50 far 0 60 0 - 9.8-12.1 HD3 LYS 62 - HB ILE 50 far 0 76 0 - 10.0-26.3 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-3.2 3.2=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.7-3.8 4.0=100 Violated in 0 structures by 0.00 A. Peak 2486 from cnoeabs.peaks (3.77, 0.91, 17.21 ppm; 3.54 A): 1 out of 4 assignments used, quality = 1.00: * HA ILE 50 + QG2 ILE 50 OK 100 100 100 100 2.3-2.4 3.2=100 HA PHE 52 - QG2 ILE 50 far 0 89 0 - 6.5-6.9 HA3 GLY 69 - QG2 ILE 50 far 0 65 0 - 6.7-28.7 HA2 GLY 69 - QG2 ILE 50 far 0 63 0 - 7.0-29.9 Violated in 0 structures by 0.00 A. Peak 2487 from cnoeabs.peaks (1.94, 0.91, 17.21 ppm; 3.15 A): 1 out of 2 assignments used, quality = 1.00: * HB ILE 50 + QG2 ILE 50 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 GLU 67 - QG2 ILE 50 far 0 76 0 - 6.7-24.7 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HG12 ILE 50 + QG2 ILE 50 OK 100 100 100 100 2.3-3.2 3.2=100 QG2 THR 44 - QG2 ILE 50 far 0 99 0 - 7.8-9.1 QG2 THR 59 - QG2 ILE 50 far 0 100 0 - 8.8-12.0 Violated in 0 structures by 0.00 A. Peak 2490 from cnoeabs.peaks (1.69, 0.91, 17.21 ppm; 3.73 A): 1 out of 7 assignments used, quality = 1.00: * HG13 ILE 50 + QG2 ILE 50 OK 100 100 100 100 2.2-3.2 3.2=100 HD2 LYS 49 - QG2 ILE 50 poor 14 97 25 59 4.4-8.1 3.7/4607=16...(11) HD3 LYS 49 - QG2 ILE 50 far 5 97 5 - 4.3-7.9 HD3 LYS 62 - QG2 ILE 50 far 0 76 0 - 6.9-21.2 HD2 LYS 62 - QG2 ILE 50 far 0 78 0 - 7.4-21.3 HB2 ARG 56 - QG2 ILE 50 far 0 60 0 - 7.6-9.6 HD2 LYS 60 - QG2 ILE 50 far 0 83 0 - 9.3-18.5 Violated in 0 structures by 0.00 A. Peak 2491 from cnoeabs.peaks (0.80, 0.91, 17.21 ppm; 2.98 A): 1 out of 1 assignment used, quality = 0.99: * QD1 ILE 50 + QG2 ILE 50 OK 99 100 100 99 1.9-2.5 2509=91, 2477/2474=35...(15) Violated in 0 structures by 0.00 A. Peak 2492 from cnoeabs.peaks (8.69, 1.29, 29.13 ppm; 3.78 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 50 + HG12 ILE 50 OK 100 100 100 100 2.0-3.6 729=100, 727/3.0=68...(15) Violated in 0 structures by 0.00 A. Peak 2493 from cnoeabs.peaks (3.77, 1.29, 29.13 ppm; 3.60 A): 1 out of 4 assignments used, quality = 1.00: * HA ILE 50 + HG12 ILE 50 OK 100 100 100 100 2.4-3.3 2475=100, 2477/2.1=67...(23) HA3 GLY 69 - HG12 ILE 50 far 0 65 0 - 8.2-34.6 HA PHE 52 - HG12 ILE 50 far 0 89 0 - 8.7-9.1 HA2 GLY 69 - HG12 ILE 50 far 0 63 0 - 9.4-36.1 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2495 from cnoeabs.peaks (0.91, 1.29, 29.13 ppm; 3.38 A): 1 out of 3 assignments used, quality = 1.00: * QG2 ILE 50 + HG12 ILE 50 OK 100 100 100 100 2.3-3.2 3.2=100 QD1 LEU 64 - HG12 ILE 50 far 0 99 0 - 9.0-28.0 QD2 LEU 37 - HG12 ILE 50 far 0 100 0 - 9.2-13.7 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HG13 ILE 50 + HG12 ILE 50 OK 100 100 100 100 1.8-1.8 1.8=100 HD3 LYS 49 - HG12 ILE 50 far 10 97 10 - 2.8-6.8 HD2 LYS 49 - HG12 ILE 50 poor 10 97 30 34 2.4-7.0 3.7/4608=8, 2503=7...(7) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 2499 from cnoeabs.peaks (8.69, 1.69, 29.13 ppm; 3.63 A): 3 out of 3 assignments used, quality = 1.00: * H ILE 50 + HG13 ILE 50 OK 100 100 100 100 1.9-3.8 729/1.8=70, 727/3.0=64...(18) H ILE 50 + HD3 LYS 49 OK 38 73 55 94 2.9-5.6 3534/3.7=43, 235/3.7=42...(12) H ILE 50 + HD2 LYS 49 OK 30 71 45 96 2.7-6.3 3534/3.7=43, 235/3.7=42...(16) Violated in 0 structures by 0.00 A. Peak 2500 from cnoeabs.peaks (3.77, 1.69, 29.13 ppm; 3.70 A): 2 out of 12 assignments used, quality = 1.00: * HA ILE 50 + HG13 ILE 50 OK 100 100 100 100 2.8-3.7 2475/1.8=80, 4.0=77...(16) HA ILE 50 + HD2 LYS 49 OK 27 71 45 83 2.7-6.9 2476=22, 3804/3.7=20...(15) HA ILE 50 - HD3 LYS 49 poor 17 73 30 78 2.2-6.8 3804/3.7=20, ~237=20...(12) HA PHE 52 - HD2 LYS 49 far 0 57 0 - 6.0-10.0 HA3 GLY 69 - HG13 ILE 50 far 0 65 0 - 7.1-35.2 HA PHE 52 - HD3 LYS 49 far 0 59 0 - 7.4-10.1 HA ARG 34 - HD3 LYS 49 far 0 60 0 - 7.9-12.3 HA ARG 34 - HD2 LYS 39 far 0 54 0 - 8.2-11.6 HA ARG 34 - HD3 LYS 39 far 0 54 0 - 8.4-10.3 HA2 GLY 69 - HG13 ILE 50 far 0 63 0 - 8.4-36.6 HA ARG 34 - HD2 LYS 49 far 0 58 0 - 8.8-11.7 HA PHE 52 - HG13 ILE 50 far 0 89 0 - 8.8-9.9 Violated in 4 structures by 0.00 A. Peak 2501 from cnoeabs.peaks (1.94, 1.69, 29.13 ppm; 3.06 A): 5 out of 14 assignments used, quality = 1.00: * HB ILE 50 + HG13 ILE 50 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 39 + HD3 LYS 39 OK 58 59 100 98 2.6-3.4 3.9=50, 2.9/2031=27...(38) HB3 LYS 39 + HD2 LYS 39 OK 58 59 100 98 2.1-3.7 3.9=50, 2.9/2031=27...(38) HB2 LYS 39 + HD3 LYS 39 OK 56 57 100 98 2.3-3.9 3.9=50, 2.9/2031=27...(38) HB2 LYS 39 + HD2 LYS 39 OK 56 57 100 98 2.3-3.2 3.9=50, 2.9/2031=27...(38) HB ILE 50 - HD3 LYS 49 far 4 73 5 - 4.5-8.0 HB ILE 50 - HD2 LYS 49 far 0 71 0 - 4.6-8.6 HB2 ARG 34 - HD3 LYS 49 far 0 73 0 - 6.9-11.9 HB2 ARG 34 - HD2 LYS 49 far 0 71 0 - 7.8-11.4 HD3 LYS 22 - HD3 LYS 39 far 0 41 0 - 8.2-11.9 HB2 ARG 34 - HD2 LYS 39 far 0 66 0 - 8.3-12.1 HB3 GLU 67 - HG13 ILE 50 far 0 76 0 - 8.6-32.2 HB2 ARG 34 - HD3 LYS 39 far 0 66 0 - 9.0-10.6 HD3 LYS 22 - HD2 LYS 39 far 0 41 0 - 9.4-13.5 Violated in 0 structures by 0.00 A. Peak 2502 from cnoeabs.peaks (0.91, 1.69, 29.13 ppm; 3.46 A): 1 out of 10 assignments used, quality = 1.00: * QG2 ILE 50 + HG13 ILE 50 OK 100 100 100 100 2.2-3.2 3.2=100 QG2 ILE 50 - HD2 LYS 49 poor 18 71 25 - 4.4-8.1 QG2 ILE 50 - HD3 LYS 49 far 4 73 5 - 4.3-7.9 QD2 LEU 37 - HD3 LYS 39 far 0 65 0 - 6.0-9.7 QD2 LEU 37 - HD2 LYS 39 far 0 65 0 - 6.8-10.4 QD2 LEU 37 - HD2 LYS 49 far 0 70 0 - 8.0-12.2 QD2 LEU 37 - HD3 LYS 49 far 0 72 0 - 8.0-13.1 QD1 LEU 64 - HD3 LYS 49 far 0 70 0 - 8.5-27.6 QD1 LEU 64 - HD2 LYS 49 far 0 67 0 - 9.4-27.3 QD2 LEU 37 - HG13 ILE 50 far 0 100 0 - 9.6-12.6 Violated in 0 structures by 0.00 A. Peak 2503 from cnoeabs.peaks (1.29, 1.69, 29.13 ppm; 2.55 A): 1 out of 8 assignments used, quality = 1.00: * HG12 ILE 50 + HG13 ILE 50 OK 100 100 100 100 1.8-1.8 1.8=100 HG12 ILE 50 - HD3 LYS 49 far 7 73 10 - 2.8-6.8 HG12 ILE 50 - HD2 LYS 49 poor 7 71 30 34 2.4-7.0 2497=8, 4608/3.7=8...(7) QG2 THR 44 - HG13 ILE 50 far 0 99 0 - 7.6-9.1 QG2 THR 44 - HD3 LYS 49 far 0 71 0 - 8.7-11.4 QG2 THR 44 - HD2 LYS 49 far 0 69 0 - 8.8-11.3 QG2 THR 44 - HD2 LYS 39 far 0 64 0 - 9.0-11.0 QG2 THR 44 - HD3 LYS 39 far 0 64 0 - 9.5-11.4 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * QD1 ILE 50 + HG13 ILE 50 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 ILE 50 - HD3 LYS 49 poor 18 73 25 - 3.5-6.7 QD1 ILE 50 - HD2 LYS 49 poor 18 71 25 - 2.2-7.4 Violated in 0 structures by 0.00 A. Peak 2506 from cnoeabs.peaks (8.69, 0.80, 12.55 ppm; 4.18 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 50 + QD1 ILE 50 OK 100 100 100 100 2.7-3.8 731=98, 729/2.1=81...(16) Violated in 0 structures by 0.00 A. Peak 2507 from cnoeabs.peaks (3.77, 0.80, 12.55 ppm; 3.81 A): 1 out of 4 assignments used, quality = 1.00: * HA ILE 50 + QD1 ILE 50 OK 100 100 100 100 2.0-3.8 2477=100, 2475/2.1=78...(23) HA3 GLY 69 - QD1 ILE 50 far 0 65 0 - 5.3-30.7 HA2 GLY 69 - QD1 ILE 50 far 0 63 0 - 6.2-31.9 HA PHE 52 - QD1 ILE 50 far 0 89 0 - 7.6-8.8 Violated in 1 structures by 0.00 A. Peak 2508 from cnoeabs.peaks (1.94, 0.80, 12.55 ppm; 3.40 A): 1 out of 2 assignments used, quality = 1.00: * HB ILE 50 + QD1 ILE 50 OK 100 100 100 100 2.1-3.2 3.2=100 HB3 GLU 67 - QD1 ILE 50 far 0 76 0 - 8.0-26.1 Violated in 0 structures by 0.00 A. Peak 2509 from cnoeabs.peaks (0.91, 0.80, 12.55 ppm; 3.07 A): 1 out of 3 assignments used, quality = 1.00: * QG2 ILE 50 + QD1 ILE 50 OK 100 100 100 100 1.9-2.5 2491=100, 2474/2477=38...(15) QD1 LEU 64 - QD1 ILE 50 far 0 99 0 - 8.3-22.4 QD2 LEU 37 - QD1 ILE 50 far 0 100 0 - 9.0-11.3 Violated in 0 structures by 0.00 A. Peak 2510 from cnoeabs.peaks (1.29, 0.80, 12.55 ppm; 2.96 A): 1 out of 2 assignments used, quality = 1.00: * HG12 ILE 50 + QD1 ILE 50 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 THR 44 - QD1 ILE 50 far 0 99 0 - 5.7-8.4 Violated in 0 structures by 0.00 A. Peak 2511 from cnoeabs.peaks (1.69, 0.80, 12.55 ppm; 3.03 A): 1 out of 6 assignments used, quality = 1.00: * HG13 ILE 50 + QD1 ILE 50 OK 100 100 100 100 2.1-2.1 2.1=100 HD3 LYS 49 - QD1 ILE 50 poor 19 97 20 - 3.5-6.7 HD2 LYS 49 - QD1 ILE 50 poor 13 97 25 54 2.2-7.4 3.7/4605=14, 3.0/4604=12...(9) HB2 ARG 56 - QD1 ILE 50 far 0 60 0 - 8.9-11.8 HD3 LYS 62 - QD1 ILE 50 far 0 76 0 - 9.3-23.9 HD2 LYS 62 - QD1 ILE 50 far 0 78 0 - 9.8-24.0 Violated in 0 structures by 0.00 A. 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): 2 out of 3 assignments used, quality = 1.00: * H TRP 51 + HA TRP 51 OK 100 100 100 100 2.7-2.8 2.9=100 H ASN 54 + HA TRP 51 OK 56 60 100 93 3.7-4.0 4.1/3813=40, 4.1/3812=36...(8) H SER 66 - HA TRP 51 far 0 92 0 - 9.4-24.9 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HB2 TRP 51 + HA TRP 51 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 PHE 52 - HA TRP 51 far 0 63 0 - 5.7-6.6 Violated in 0 structures by 0.00 A. Peak 2516 from cnoeabs.peaks (3.29, 4.02, 63.12 ppm; 3.58 A): 1 out of 3 assignments used, quality = 1.00: * HB3 TRP 51 + HA TRP 51 OK 100 100 100 100 2.5-2.6 3.0=100 HB2 PHE 52 - HA TRP 51 far 0 89 0 - 5.7-6.6 HD3 ARG 34 - HA TRP 51 far 0 78 0 - 9.4-11.8 Violated in 0 structures by 0.00 A. Peak 2517 from cnoeabs.peaks (7.14, 4.02, 63.12 ppm; 4.41 A): 1 out of 3 assignments used, quality = 1.00: * HD1 TRP 51 + HA TRP 51 OK 100 100 100 100 3.0-3.5 4572=99, 4574/3.0=82...(5) QD TYR 57 - HA TRP 51 far 0 100 0 - 8.2-10.0 QD TYR 28 - HA TRP 51 far 0 93 0 - 9.0-12.4 Violated in 0 structures by 0.00 A. Peak 2523 from cnoeabs.peaks (8.27, 3.50, 29.17 ppm; 3.79 A): 1 out of 2 assignments used, quality = 1.00: * H TRP 51 + HB2 TRP 51 OK 100 100 100 100 2.7-2.8 734=100, 735/1.8=89...(10) H ASN 54 - HB2 TRP 51 far 0 60 0 - 5.8-6.1 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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): 2 out of 3 assignments used, quality = 1.00: * HB3 TRP 51 + HB2 TRP 51 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 PHE 52 + HB2 TRP 51 OK 31 89 55 63 4.3-5.6 2.5/4626=22, 4.1/251=18...(9) HD3 ARG 34 - HB2 TRP 51 far 0 78 0 - 7.0-9.7 Violated in 0 structures by 0.00 A. Peak 2527 from cnoeabs.peaks (7.14, 3.50, 29.17 ppm; 4.73 A): 1 out of 2 assignments used, quality = 1.00: * HD1 TRP 51 + HB2 TRP 51 OK 100 100 100 100 3.7-3.8 3.9=100 QD TYR 28 - HB2 TRP 51 far 0 93 0 - 8.2-11.0 Violated in 0 structures by 0.00 A. Peak 2528 from cnoeabs.peaks (6.97, 3.50, 29.17 ppm; 4.63 A): 1 out of 2 assignments used, quality = 1.00: * HE3 TRP 51 + HB2 TRP 51 OK 100 100 100 100 2.5-2.7 4.2=100 HZ PHE 23 - HB2 TRP 51 far 0 73 0 - 7.9-9.8 Violated in 0 structures by 0.00 A. Peak 2533 from cnoeabs.peaks (8.27, 3.29, 29.17 ppm; 3.65 A): 1 out of 2 assignments used, quality = 1.00: * H TRP 51 + HB3 TRP 51 OK 100 100 100 100 2.3-2.4 735=100, 734/1.8=82...(10) H ASN 54 - HB3 TRP 51 far 0 60 0 - 5.9-6.2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.5-2.6 3.0=100 Violated in 0 structures by 0.00 A. Peak 2535 from cnoeabs.peaks (3.50, 3.29, 29.17 ppm; 3.06 A): 1 out of 2 assignments used, quality = 1.00: * HB2 TRP 51 + HB3 TRP 51 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 PHE 52 - HB3 TRP 51 far 0 63 0 - 5.8-7.1 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HD1 TRP 51 + HB3 TRP 51 OK 100 100 100 100 2.6-2.7 3.9=100 QD TYR 28 - HB3 TRP 51 far 0 93 0 - 9.5-12.4 Violated in 0 structures by 0.00 A. Peak 2538 from cnoeabs.peaks (6.97, 3.29, 29.17 ppm; 4.80 A): 1 out of 2 assignments used, quality = 1.00: * HE3 TRP 51 + HB3 TRP 51 OK 100 100 100 100 4.1-4.2 4.2=100 HZ PHE 23 - HB3 TRP 51 far 0 73 0 - 9.4-11.2 Violated in 0 structures by 0.00 A. 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 99 100 100 3.0-3.5 4.5=100 Violated in 0 structures by 0.00 A. Peak 2545 from cnoeabs.peaks (3.50, 7.14, 127.21 ppm; 5.09 A): 1 out of 2 assignments used, quality = 0.99: * HB2 TRP 51 + HD1 TRP 51 OK 99 99 100 100 3.7-3.8 3.9=100 HB3 PHE 52 - HD1 TRP 51 far 0 61 0 - 7.9-9.0 Violated in 0 structures by 0.00 A. Peak 2546 from cnoeabs.peaks (3.29, 7.14, 127.21 ppm; 4.40 A): 1 out of 2 assignments used, quality = 0.99: * HB3 TRP 51 + HD1 TRP 51 OK 99 99 100 100 2.6-2.7 3.9=100 HB2 PHE 52 - HD1 TRP 51 far 0 87 0 - 7.9-9.0 Violated in 0 structures by 0.00 A. 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 99 100 100 2.6-2.6 2.6=100 Violated in 0 structures by 0.00 A. Peak 2555 from cnoeabs.peaks (3.50, 6.97, 121.43 ppm; 5.32 A): 2 out of 2 assignments used, quality = 0.94: * HB2 TRP 51 + HE3 TRP 51 OK 89 89 100 100 2.5-2.7 4.2=100 HB3 PHE 52 + HE3 TRP 51 OK 50 50 100 100 4.0-4.7 3.0/4794=81, 4.1/254=71...(5) Violated in 0 structures by 0.00 A. 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 89 100 100 2.5-2.5 2.5=100 Violated in 0 structures by 0.00 A. 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 98 100 100 2.8-2.8 2.8=100 Violated in 0 structures by 0.00 A. 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 98 100 100 2.5-2.5 2.5=100 Violated in 0 structures by 0.00 A. 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 86 100 100 2.4-2.4 2.4=100 Violated in 0 structures by 0.00 A. 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 86 100 100 2.5-2.5 2.5=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.8-2.8 2.9=100 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HB2 PHE 52 + HA PHE 52 OK 100 100 100 100 2.6-3.0 3.0=100 HB3 TRP 51 - HA PHE 52 far 0 89 0 - 5.5-5.6 HD3 ARG 34 - HA PHE 52 far 0 100 0 - 8.4-10.5 Violated in 0 structures by 0.00 A. Peak 2596 from cnoeabs.peaks (3.53, 3.76, 63.31 ppm; 3.68 A): 2 out of 3 assignments used, quality = 1.00: * HB3 PHE 52 + HA PHE 52 OK 100 100 100 100 2.6-3.0 3.0=100 HB2 TRP 51 + HA PHE 52 OK 54 63 100 87 4.0-4.2 4.2/4675=35, 745/2.9=24...(11) HD2 ARG 34 - HA PHE 52 far 0 93 0 - 8.0-10.8 Violated in 0 structures by 0.00 A. Peak 2598 from cnoeabs.peaks (7.75, 3.76, 63.31 ppm; 3.98 A): 2 out of 3 assignments used, quality = 1.00: * QD PHE 52 + HA PHE 52 OK 100 100 100 100 2.7-3.0 3.7=100 H ARG 56 + HA PHE 52 OK 88 100 100 88 3.6-4.6 279/3817=48, 281/3818=42...(11) H THR 59 - HA PHE 52 far 0 78 0 - 8.2-9.3 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.6 4.1=100 Violated in 0 structures by 0.00 A. Peak 2600 from cnoeabs.peaks (3.76, 3.27, 39.64 ppm; 3.95 A): 1 out of 2 assignments used, quality = 1.00: * HA PHE 52 + HB2 PHE 52 OK 100 100 100 100 2.6-3.0 3.0=100 HA ILE 50 - HB2 PHE 52 far 13 89 15 - 5.4-7.0 Violated in 0 structures by 0.00 A. 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): 2 out of 3 assignments used, quality = 1.00: * HB3 PHE 52 + HB2 PHE 52 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 TRP 51 + HB2 PHE 52 OK 21 63 55 60 4.3-5.6 ~4729=14, 4.3/744=14...(9) HD2 ARG 34 - HB2 PHE 52 far 0 93 0 - 5.5-9.3 Violated in 0 structures by 0.00 A. 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 100 100 100 100 4.4-4.5 4.4=100 Violated in 0 structures by 0.00 A. Peak 2604 from cnoeabs.peaks (7.75, 3.27, 39.64 ppm; 3.67 A): 1 out of 3 assignments used, quality = 1.00: * QD PHE 52 + HB2 PHE 52 OK 100 100 100 100 2.3-2.7 2.5=100 H ARG 56 - HB2 PHE 52 poor 9 100 30 29 4.7-6.4 3822/3.0=24, 2610/1.8=6 H THR 59 - HB2 PHE 52 far 0 78 0 - 8.8-11.7 Violated in 0 structures by 0.00 A. Peak 2605 from cnoeabs.peaks (8.94, 3.53, 39.64 ppm; 3.89 A): 1 out of 1 assignment used, quality = 0.99: * H PHE 52 + HB3 PHE 52 OK 99 100 100 99 2.3-3.6 4.1=88, 747/2.5=67...(8) Violated in 0 structures by 0.00 A. Peak 2606 from cnoeabs.peaks (3.76, 3.53, 39.64 ppm; 4.12 A): 1 out of 2 assignments used, quality = 1.00: * HA PHE 52 + HB3 PHE 52 OK 100 100 100 100 2.6-3.0 3.0=100 HA ILE 50 - HB3 PHE 52 poor 20 89 40 56 5.4-7.1 3803/3558=35, 3802/2605=31 Violated in 0 structures by 0.00 A. Peak 2607 from cnoeabs.peaks (3.27, 3.53, 39.64 ppm; 3.13 A): 1 out of 3 assignments used, quality = 1.00: * HB2 PHE 52 + HB3 PHE 52 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 TRP 51 - HB3 PHE 52 far 0 89 0 - 5.8-7.1 HD3 ARG 34 - HB3 PHE 52 far 0 100 0 - 5.9-8.8 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * QD PHE 52 + HB3 PHE 52 OK 100 100 100 100 2.3-2.7 2.5=100 H ARG 56 - HB3 PHE 52 poor 10 100 30 32 4.7-6.5 3822/3.0=27, 2604/1.8=6 H THR 59 - HB3 PHE 52 far 0 78 0 - 9.3-11.5 Violated in 0 structures by 0.00 A. Peak 2615 from cnoeabs.peaks (7.53, 7.53, 132.28 ppm; diagonal): 0 out of 0 assignments used, 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, 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, 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, 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, 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 100 100 100 100 2.8-2.9 2.9=100 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HB2 GLN 53 + HA GLN 53 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 LYS 49 - HA GLN 53 far 0 76 0 - 7.3-8.2 HB VAL 48 - HA GLN 53 far 0 93 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 2626 from cnoeabs.peaks (2.22, 3.94, 59.15 ppm; 3.36 A): 2 out of 2 assignments used, quality = 1.00: * HB3 GLN 53 + HA GLN 53 OK 100 100 100 100 2.3-2.4 3.0=100 HG2 ARG 56 + HA GLN 53 OK 26 83 45 69 3.2-6.2 3.0/3827=35, 3.0/3826=31...(5) Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.1-3.8 3.7=100 Violated in 0 structures by 0.00 A. Peak 2628 from cnoeabs.peaks (2.37, 3.94, 59.15 ppm; 3.91 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLN 53 + HA GLN 53 OK 100 100 100 100 2.6-3.9 3.7=100 HG2 GLN 63 - HA GLN 53 far 0 97 0 - 8.4-23.5 HG3 GLN 63 - HA GLN 53 far 0 99 0 - 9.1-23.2 Violated in 3 structures by 0.00 A. Peak 2631 from cnoeabs.peaks (8.03, 2.15, 28.54 ppm; 3.62 A): 1 out of 6 assignments used, quality = 1.00: * H GLN 53 + HB2 GLN 53 OK 100 100 100 100 2.2-2.7 750=100, 751/1.8=84...(9) H LYS 22 - HB2 GLU 20 far 2 47 5 - 5.0-6.2 H LEU 41 - HB3 LYS 42 far 0 58 0 - 5.4-5.8 H ILE 17 - HB2 GLU 20 far 0 28 0 - 5.5-7.4 H ASN 40 - HB3 LYS 42 far 0 71 0 - 7.2-7.5 H GLN 47 - HB2 GLN 53 far 0 87 0 - 9.2-10.5 Violated in 0 structures by 0.00 A. Peak 2632 from cnoeabs.peaks (3.94, 2.15, 28.54 ppm; 3.73 A): 1 out of 6 assignments used, quality = 1.00: * HA GLN 53 + HB2 GLN 53 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 SER 12 - HB3 LYS 42 far 0 79 0 - 6.7-9.7 HA GLN 47 - HB2 GLN 53 far 0 81 0 - 7.4-8.7 HB2 SER 66 - HB2 GLN 53 far 0 100 0 - 8.4-24.8 HB2 SER 66 - HB2 GLU 20 far 0 46 0 - 8.8-25.7 HB2 SER 65 - HB2 GLU 20 far 0 45 0 - 8.9-28.3 Violated in 0 structures by 0.00 A. Peak 2633 from cnoeabs.peaks (2.15, 2.15, 28.54 ppm; diagonal): 3 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 3 assignments used, quality = 1.00: * HB3 GLN 53 + HB2 GLN 53 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 ARG 56 - HB2 GLN 53 far 0 83 0 - 6.0-9.0 HG2 ARG 56 - HB2 GLU 20 far 0 33 0 - 9.9-14.4 Violated in 0 structures by 0.00 A. Peak 2635 from cnoeabs.peaks (2.44, 2.15, 28.54 ppm; 3.89 A): 3 out of 3 assignments used, quality = 1.00: * HG2 GLN 53 + HB2 GLN 53 OK 100 100 100 100 2.2-2.6 3.0=100 HG3 GLU 20 + HB2 GLU 20 OK 39 39 100 100 2.2-3.0 3.0=100 HG2 GLU 20 + HB2 GLU 20 OK 27 27 100 100 2.2-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2636 from cnoeabs.peaks (2.37, 2.15, 28.54 ppm; 3.34 A): 1 out of 5 assignments used, quality = 1.00: * HG3 GLN 53 + HB2 GLN 53 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 MET 11 - HB3 LYS 42 far 0 68 0 - 5.9-9.0 HG2 GLN 63 - HB2 GLU 20 far 0 43 0 - 6.0-26.2 HG3 GLN 63 - HB2 GLU 20 far 0 45 0 - 6.3-25.4 HB3 LYS 22 - HB2 GLU 20 far 0 42 0 - 6.7-8.5 Violated in 0 structures by 0.00 A. Peak 2639 from cnoeabs.peaks (8.03, 2.22, 28.54 ppm; 3.63 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 53 + HB3 GLN 53 OK 100 100 100 100 2.9-3.6 751=100, 750/1.8=86...(6) Violated in 0 structures by 0.00 A. Peak 2640 from cnoeabs.peaks (3.94, 2.22, 28.54 ppm; 3.84 A): 1 out of 3 assignments used, quality = 1.00: * HA GLN 53 + HB3 GLN 53 OK 100 100 100 100 2.3-2.4 3.0=100 HB2 SER 66 - HB3 GLN 53 far 0 100 0 - 7.2-23.9 HA GLN 47 - HB3 GLN 53 far 0 81 0 - 8.6-10.1 Violated in 0 structures by 0.00 A. Peak 2641 from cnoeabs.peaks (2.15, 2.22, 28.54 ppm; 2.52 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLN 53 + HB3 GLN 53 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LYS 49 - HB3 GLN 53 far 0 76 0 - 5.4-6.7 HB VAL 48 - HB3 GLN 53 far 0 93 0 - 8.9-10.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.9-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2644 from cnoeabs.peaks (2.37, 2.22, 28.54 ppm; 3.44 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLN 53 + HB3 GLN 53 OK 100 100 100 100 2.5-2.7 3.0=100 HG2 GLN 63 - HB3 GLN 53 far 0 97 0 - 9.1-25.3 HG3 GLN 63 - HB3 GLN 53 far 0 99 0 - 9.5-25.2 Violated in 0 structures by 0.00 A. Peak 2647 from cnoeabs.peaks (8.03, 2.44, 33.72 ppm; 4.44 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 53 + HG2 GLN 53 OK 100 100 100 100 2.4-4.2 752=100, 750/3.0=85...(6) H GLN 47 - HG2 GLN 53 far 0 87 0 - 8.8-12.2 Violated in 0 structures by 0.00 A. Peak 2648 from cnoeabs.peaks (3.94, 2.44, 33.72 ppm; 4.22 A): 1 out of 4 assignments used, quality = 1.00: * HA GLN 53 + HG2 GLN 53 OK 100 100 100 100 3.1-3.8 3.7=100 HB2 SER 66 - HG2 GLN 53 far 0 100 0 - 7.2-24.7 HA GLN 47 - HG2 GLN 53 far 0 81 0 - 7.5-10.1 HB2 SER 65 - HG2 GLN 53 far 0 99 0 - 9.5-24.6 Violated in 0 structures by 0.00 A. Peak 2649 from cnoeabs.peaks (2.15, 2.44, 33.72 ppm; 3.46 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLN 53 + HG2 GLN 53 OK 100 100 100 100 2.2-2.6 3.0=100 HB2 LYS 49 - HG2 GLN 53 far 4 76 5 - 3.9-8.1 HB VAL 48 - HG2 GLN 53 far 0 93 0 - 8.2-11.8 Violated in 0 structures by 0.00 A. Peak 2650 from cnoeabs.peaks (2.22, 2.44, 33.72 ppm; 3.26 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLN 53 + HG2 GLN 53 OK 100 100 100 100 2.9-3.0 3.0=100 HG2 ARG 56 - HG2 GLN 53 far 0 83 0 - 5.7-9.4 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HG3 GLN 53 + HG2 GLN 53 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLN 63 - HG2 GLN 53 far 0 97 0 - 8.4-24.2 HG3 GLN 63 - HG2 GLN 53 far 0 99 0 - 8.4-24.6 Violated in 0 structures by 0.00 A. Peak 2653 from cnoeabs.peaks (6.93, 2.44, 33.72 ppm; 5.01 A): 2 out of 3 assignments used, quality = 1.00: * HE21 GLN 53 + HG2 GLN 53 OK 100 100 100 100 2.1-3.7 3.5=100 HD22 ASN 54 + HG2 GLN 53 OK 53 68 95 82 3.8-7.1 5.1/269=58, 1.7/2654=32...(4) HZ PHE 23 - HG2 GLN 53 far 0 93 0 - 7.8-10.7 Violated in 0 structures by 0.00 A. Peak 2654 from cnoeabs.peaks (7.50, 2.44, 33.72 ppm; 4.43 A): 2 out of 3 assignments used, quality = 1.00: * HE22 GLN 53 + HG2 GLN 53 OK 100 100 100 100 2.4-4.1 3.5=100 HD21 ASN 54 + HG2 GLN 53 OK 55 92 85 70 3.2-6.6 5.1/269=46, 1.7/2653=22...(4) QE PHE 52 - HG2 GLN 53 far 0 65 0 - 8.0-10.1 Violated in 0 structures by 0.00 A. Peak 2655 from cnoeabs.peaks (8.03, 2.37, 33.72 ppm; 4.63 A): 1 out of 4 assignments used, quality = 1.00: * H GLN 53 + HG3 GLN 53 OK 100 100 100 100 2.3-4.5 753=100, 752/1.8=93...(7) H ILE 17 - HG2 GLN 63 far 0 62 0 - 8.9-30.2 H LYS 22 - HG2 GLN 63 far 0 91 0 - 9.6-29.6 H GLN 47 - HG3 GLN 53 far 0 87 0 - 9.9-12.7 Violated in 0 structures by 0.00 A. Peak 2656 from cnoeabs.peaks (3.94, 2.37, 33.72 ppm; 4.75 A): 1 out of 9 assignments used, quality = 1.00: * HA GLN 53 + HG3 GLN 53 OK 100 100 100 100 2.6-3.9 3.7=100 HB2 SER 66 - HG3 GLN 53 far 5 100 5 - 6.1-23.6 HB2 SER 65 - HG3 GLN 63 lone 4 93 45 8 2.9-9.4 3.9/3193=3, 3640/3629=2 HB2 SER 65 - HG2 GLN 63 lone 3 89 35 8 3.8-10.3 3.9/3193=2, 3640/3629=2 HB2 SER 66 - HG3 GLN 63 lone 1 95 25 3 3.4-13.2 HB2 SER 66 - HG2 GLN 63 lone 1 91 25 3 2.9-13.9 HA GLN 53 - HG2 GLN 63 far 0 92 0 - 8.4-23.5 HA GLN 47 - HG3 GLN 53 far 0 81 0 - 8.9-10.9 HA GLN 53 - HG3 GLN 63 far 0 96 0 - 9.1-23.2 Violated in 0 structures by 0.00 A. Peak 2657 from cnoeabs.peaks (2.15, 2.37, 33.72 ppm; 3.58 A): 1 out of 5 assignments used, quality = 1.00: * HB2 GLN 53 + HG3 GLN 53 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LYS 49 - HG3 GLN 53 far 4 76 5 - 4.8-8.9 HB2 GLU 20 - HG2 GLN 63 far 0 82 0 - 6.0-26.2 HB2 GLU 20 - HG3 GLN 63 far 0 86 0 - 6.3-25.4 HB VAL 48 - HG3 GLN 53 far 0 93 0 - 8.6-12.1 Violated in 0 structures by 0.00 A. Peak 2658 from cnoeabs.peaks (2.22, 2.37, 33.72 ppm; 3.21 A): 1 out of 8 assignments used, quality = 1.00: * HB3 GLN 53 + HG3 GLN 53 OK 100 100 100 100 2.5-2.7 3.0=100 HG2 ARG 56 - HG3 GLN 53 far 8 83 10 - 4.2-9.8 HG3 GLU 67 - HG2 GLN 63 far 3 55 5 - 4.6-16.9 HG3 GLU 67 - HG3 GLN 63 far 0 58 0 - 5.6-17.2 HG2 ARG 56 - HG2 GLN 63 far 0 71 0 - 7.9-19.6 HG2 ARG 56 - HG3 GLN 63 far 0 75 0 - 8.5-19.1 HB3 GLN 53 - HG2 GLN 63 far 0 92 0 - 9.1-25.3 HB3 GLN 53 - HG3 GLN 63 far 0 96 0 - 9.5-25.2 Violated in 0 structures by 0.00 A. Peak 2659 from cnoeabs.peaks (2.44, 2.37, 33.72 ppm; 2.40 A): 1 out of 7 assignments used, quality = 1.00: * HG2 GLN 53 + HG3 GLN 53 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLU 20 - HG2 GLN 63 far 0 80 0 - 6.0-26.0 HG2 GLU 20 - HG2 GLN 63 far 0 60 0 - 6.5-25.1 HG3 GLU 20 - HG3 GLN 63 far 0 84 0 - 6.9-25.4 HG2 GLU 20 - HG3 GLN 63 far 0 63 0 - 7.2-24.6 HG2 GLN 53 - HG2 GLN 63 far 0 92 0 - 8.4-24.2 HG2 GLN 53 - HG3 GLN 63 far 0 96 0 - 8.4-24.6 Violated in 0 structures by 0.00 A. 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): 2 out of 7 assignments used, quality = 1.00: * HE21 GLN 53 + HG3 GLN 53 OK 100 100 100 100 2.1-4.1 3.5=100 HD22 ASN 54 + HG3 GLN 53 OK 50 68 90 82 5.4-8.4 5.1/270=56, 2653/1.8=30...(4) HZ PHE 23 - HG3 GLN 53 far 0 93 0 - 7.6-10.1 HZ PHE 23 - HG2 GLN 63 far 0 82 0 - 7.9-20.7 HE21 GLN 53 - HG3 GLN 63 far 0 96 0 - 8.0-26.5 HE21 GLN 53 - HG2 GLN 63 far 0 92 0 - 8.0-26.1 HZ PHE 23 - HG3 GLN 63 far 0 86 0 - 9.2-20.0 Violated in 0 structures by 0.00 A. Peak 2662 from cnoeabs.peaks (7.50, 2.37, 33.72 ppm; 4.40 A): 2 out of 7 assignments used, quality = 1.00: * HE22 GLN 53 + HG3 GLN 53 OK 100 100 100 100 3.4-4.1 3.5=100 HD21 ASN 54 + HG3 GLN 53 OK 23 92 35 71 4.8-7.8 5.1/270=40, 2654/1.8=27...(4) HE22 GLN 53 - HG2 GLN 63 far 0 92 0 - 6.3-27.4 HE22 GLN 53 - HG3 GLN 63 far 0 96 0 - 6.5-27.7 QE PHE 52 - HG3 GLN 53 far 0 65 0 - 7.5-10.4 H TYR 28 - HG3 GLN 53 far 0 100 0 - 9.9-13.5 HD21 ASN 54 - HG2 GLN 63 far 0 80 0 - 10.0-24.9 Violated in 0 structures by 0.00 A. Peak 2663 from cnoeabs.peaks (8.29, 4.36, 55.11 ppm; 3.69 A): 1 out of 12 assignments used, quality = 1.00: * H ASN 54 + HA ASN 54 OK 100 100 100 100 2.7-2.8 3.0=100 H SER 66 - HA LEU 64 poor 18 51 35 - 3.7-7.0 H LYS 62 - HA LEU 64 far 0 57 0 - 5.8-9.2 H SER 66 - HA LEU 68 far 0 78 0 - 6.3-9.1 H TRP 51 - HA ASN 54 far 0 60 0 - 7.3-7.7 H ARG 21 - HA LEU 64 far 0 47 0 - 7.6-28.4 H LYS 62 - HA LEU 68 far 0 86 0 - 7.7-19.3 H ASN 54 - HA LEU 68 far 0 88 0 - 8.3-28.1 H ASN 54 - HA LEU 64 far 0 60 0 - 9.0-24.0 H TRP 51 - HA LEU 68 far 0 47 0 - 9.0-31.1 H LYS 62 - HA ASN 54 far 0 99 0 - 9.4-16.6 H SER 66 - HA ASN 54 far 0 93 0 - 9.7-22.4 Violated in 0 structures by 0.00 A. Peak 2664 from cnoeabs.peaks (4.36, 4.36, 55.11 ppm; diagonal): 3 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 6 assignments used, quality = 1.00: * HB2 ASN 54 + HA ASN 54 OK 100 100 100 100 2.3-2.7 3.0=100 HG2 GLU 20 - HA LEU 64 far 0 53 0 - 5.5-25.9 HB2 ASN 54 - HA LEU 68 far 0 88 0 - 5.6-29.1 HG2 GLU 20 - HA LEU 68 far 0 81 0 - 7.7-29.6 HB2 ASN 54 - HA LEU 64 far 0 60 0 - 7.8-23.4 HG3 MET 11 - HA LEU 68 far 0 84 0 - 9.6-37.6 Violated in 0 structures by 0.00 A. Peak 2666 from cnoeabs.peaks (2.65, 4.36, 55.11 ppm; 3.65 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ASN 54 + HA ASN 54 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 ASN 54 - HA LEU 68 far 0 88 0 - 6.2-29.3 HB3 ASN 54 - HA LEU 64 far 0 60 0 - 8.7-24.3 Violated in 0 structures by 0.00 A. Peak 2667 from cnoeabs.peaks (7.49, 4.36, 55.11 ppm; 5.82 A): 2 out of 5 assignments used, quality = 1.00: * HD21 ASN 54 + HA ASN 54 OK 100 100 100 100 3.5-4.4 4.5=100 HE22 GLN 53 + HA ASN 54 OK 75 92 95 86 5.4-8.6 5.2/4663=62, 760/3.0=37...(6) HD21 ASN 54 - HA LEU 68 far 4 88 5 - 4.4-31.0 HE22 GLN 53 - HA LEU 68 far 4 76 5 - 7.3-29.5 HE22 GLN 53 - HA LEU 64 far 2 50 5 - 5.9-28.8 Violated in 0 structures by 0.00 A. Peak 2669 from cnoeabs.peaks (8.29, 2.48, 37.68 ppm; 3.75 A): 1 out of 4 assignments used, quality = 1.00: * H ASN 54 + HB2 ASN 54 OK 100 100 100 100 3.5-3.6 758=100, 759/1.8=88...(7) H TRP 51 - HB2 ASN 54 far 0 60 0 - 6.5-7.3 H LYS 62 - HB2 ASN 54 far 0 99 0 - 7.3-17.3 H SER 66 - HB2 ASN 54 far 0 93 0 - 7.6-24.0 Violated in 0 structures by 0.00 A. Peak 2670 from cnoeabs.peaks (4.36, 2.48, 37.68 ppm; 3.55 A): 1 out of 4 assignments used, quality = 1.00: * HA ASN 54 + HB2 ASN 54 OK 100 100 100 100 2.3-2.7 3.0=100 HA LEU 68 - HB2 ASN 54 far 0 99 0 - 5.6-29.1 HA LEU 64 - HB2 ASN 54 far 0 85 0 - 7.8-23.4 HA LYS 49 - HB2 ASN 54 far 0 65 0 - 9.7-10.3 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2673 from cnoeabs.peaks (7.49, 2.48, 37.68 ppm; 4.10 A): 1 out of 2 assignments used, quality = 1.00: * HD21 ASN 54 + HB2 ASN 54 OK 100 100 100 100 2.5-3.4 3.4=100 HE22 GLN 53 - HB2 ASN 54 far 0 92 0 - 6.9-10.4 Violated in 0 structures by 0.00 A. Peak 2674 from cnoeabs.peaks (6.91, 2.48, 37.68 ppm; 4.64 A): 1 out of 2 assignments used, quality = 1.00: * HD22 ASN 54 + HB2 ASN 54 OK 100 100 100 100 3.6-4.0 3.4=100 HE21 GLN 53 - HB2 ASN 54 far 0 68 0 - 6.3-9.7 Violated in 0 structures by 0.00 A. Peak 2675 from cnoeabs.peaks (8.29, 2.65, 37.68 ppm; 3.47 A): 1 out of 4 assignments used, quality = 1.00: * H ASN 54 + HB3 ASN 54 OK 100 100 100 100 2.2-2.8 759=100, 758/1.8=72...(7) H TRP 51 - HB3 ASN 54 far 3 60 5 - 4.9-6.4 H SER 66 - HB3 ASN 54 far 0 93 0 - 8.3-24.4 H LYS 62 - HB3 ASN 54 far 0 99 0 - 8.7-18.2 Violated in 0 structures by 0.00 A. Peak 2676 from cnoeabs.peaks (4.36, 2.65, 37.68 ppm; 3.66 A): 1 out of 4 assignments used, quality = 1.00: * HA ASN 54 + HB3 ASN 54 OK 100 100 100 100 2.3-3.0 3.0=100 HA LEU 68 - HB3 ASN 54 far 0 99 0 - 6.2-29.3 HA LYS 49 - HB3 ASN 54 far 0 65 0 - 8.0-9.4 HA LEU 64 - HB3 ASN 54 far 0 85 0 - 8.7-24.3 Violated in 0 structures by 0.00 A. Peak 2677 from cnoeabs.peaks (2.48, 2.65, 37.68 ppm; 2.60 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ASN 54 + HB3 ASN 54 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 MET 11 - HB3 ASN 54 far 0 98 0 - 9.1-12.7 HG2 GLU 20 - HB3 ASN 54 far 0 96 0 - 9.9-13.2 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HD21 ASN 54 + HB3 ASN 54 OK 100 100 100 100 2.1-2.5 3.4=100 HE22 GLN 53 - HB3 ASN 54 far 5 92 5 - 5.3-9.1 Violated in 0 structures by 0.00 A. Peak 2680 from cnoeabs.peaks (6.91, 2.65, 37.68 ppm; 4.36 A): 1 out of 2 assignments used, quality = 1.00: * HD22 ASN 54 + HB3 ASN 54 OK 100 100 100 100 3.4-3.6 3.4=100 HE21 GLN 53 - HB3 ASN 54 poor 11 68 50 31 4.7-8.4 761/759=20, ~2667=13 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.7-2.9 3.0=100 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HB2 ARG 55 + HA ARG 55 OK 100 100 100 100 2.5-3.0 3.0=100 HG2 LYS 27 - HA ARG 55 far 0 87 0 - 10.0-13.2 Violated in 0 structures by 0.00 A. Peak 2684 from cnoeabs.peaks (-0.28, 3.43, 56.09 ppm; 4.06 A): 2 out of 3 assignments used, quality = 1.00: * HB3 ARG 55 + HA ARG 55 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 ARG 55 + HA ARG 55 OK 99 100 100 100 2.7-3.8 4.2=93, 3.0/4759=67...(9) QD1 LEU 19 - HA ARG 55 far 0 100 0 - 7.3-8.6 Violated in 0 structures by 0.00 A. Peak 2685 from cnoeabs.peaks (-0.28, 3.43, 56.09 ppm; 4.06 A): 2 out of 3 assignments used, quality = 1.00: * HG2 ARG 55 + HA ARG 55 OK 100 100 100 100 2.7-3.8 4.2=93, 3.0/4759=67...(9) HB3 ARG 55 + HA ARG 55 OK 100 100 100 100 2.4-3.0 3.0=100 QD1 LEU 19 - HA ARG 55 far 0 100 0 - 7.3-8.6 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.8 4.2=100 Violated in 0 structures by 0.00 A. Peak 2688 from cnoeabs.peaks (1.97, 3.43, 56.09 ppm; 4.32 A): 1 out of 3 assignments used, quality = 0.99: * HD3 ARG 55 + HA ARG 55 OK 99 100 100 99 2.8-4.2 1.8/4759=91, 2730=84...(6) HB3 GLN 63 - HA ARG 55 far 0 71 0 - 5.9-18.1 HB3 GLU 67 - HA ARG 55 far 0 96 0 - 9.7-21.9 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-3.6 4.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.5-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HB3 ARG 55 + HB2 ARG 55 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 ARG 55 + HB2 ARG 55 OK 100 100 100 100 2.3-3.0 3.0=100 QD1 LEU 19 - HB2 ARG 55 far 0 100 0 - 6.4-7.7 Violated in 0 structures by 0.00 A. Peak 2693 from cnoeabs.peaks (-0.28, 0.65, 28.41 ppm; 3.95 A): 2 out of 3 assignments used, quality = 1.00: * HG2 ARG 55 + HB2 ARG 55 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 ARG 55 + HB2 ARG 55 OK 100 100 100 100 1.8-1.8 1.8=100 QD1 LEU 19 - HB2 ARG 55 far 0 100 0 - 6.4-7.7 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-3.6 4.0=100 Violated in 0 structures by 0.00 A. Peak 2699 from cnoeabs.peaks (0.65, -0.28, 28.41 ppm; 4.36 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ARG 55 + HB3 ARG 55 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 LYS 27 - HB3 ARG 55 far 0 87 0 - 8.1-11.7 QD1 LEU 43 - HB3 ARG 55 far 0 100 0 - 8.8-11.6 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2707 from cnoeabs.peaks (0.65, -0.28, 23.54 ppm; 5.55 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ARG 55 + HG2 ARG 55 OK 100 100 100 100 2.3-3.0 3.0=100 QD1 LEU 43 - HG2 ARG 55 far 0 100 0 - 7.7-10.0 HG2 LYS 27 - HG2 ARG 55 far 0 87 0 - 9.9-13.0 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2716 from cnoeabs.peaks (-0.28, -0.44, 23.54 ppm; 4.63 A): 3 out of 3 assignments used, quality = 1.00: * HB3 ARG 55 + HG3 ARG 55 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 ARG 55 + HG3 ARG 55 OK 100 100 100 100 1.8-1.8 1.8=100 QD1 LEU 19 + HG3 ARG 55 OK 31 100 35 90 5.1-7.3 4704/3.0=76, ~4771=25...(5) Violated in 0 structures by 0.00 A. Peak 2717 from cnoeabs.peaks (-0.28, -0.44, 23.54 ppm; 4.63 A): 3 out of 3 assignments used, quality = 1.00: * HG2 ARG 55 + HG3 ARG 55 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ARG 55 + HG3 ARG 55 OK 100 100 100 100 2.4-3.0 3.0=100 QD1 LEU 19 + HG3 ARG 55 OK 31 100 35 90 5.1-7.3 4704/3.0=76, ~4771=25...(5) Violated in 0 structures by 0.00 A. 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 = 0.99: * HA ARG 55 + HD2 ARG 55 OK 99 100 100 99 1.9-3.8 4759=91, 2688/1.8=72...(6) Violated in 0 structures by 0.00 A. Peak 2724 from cnoeabs.peaks (-0.28, 2.41, 40.78 ppm; 4.90 A): 3 out of 3 assignments used, quality = 1.00: * HB3 ARG 55 + HD2 ARG 55 OK 100 100 100 100 2.2-3.7 3.7=100 HG2 ARG 55 + HD2 ARG 55 OK 100 100 100 100 2.3-3.0 3.0=100 QD1 LEU 19 + HD2 ARG 55 OK 84 100 85 98 5.1-6.9 4704/1.8=96, ~4771=35...(7) Violated in 0 structures by 0.00 A. Peak 2725 from cnoeabs.peaks (-0.28, 2.41, 40.78 ppm; 4.90 A): 3 out of 3 assignments used, quality = 1.00: * HG2 ARG 55 + HD2 ARG 55 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 ARG 55 + HD2 ARG 55 OK 100 100 100 100 2.2-3.7 3.7=100 QD1 LEU 19 + HD2 ARG 55 OK 84 100 85 98 5.1-6.9 4704/1.8=96, ~4771=35...(7) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.5-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HD3 ARG 55 + HD2 ARG 55 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLN 63 - HD2 ARG 55 far 4 71 5 - 4.3-19.8 HB2 MET 11 - HD2 ARG 55 far 0 71 0 - 8.6-11.7 Violated in 0 structures by 0.00 A. Peak 2730 from cnoeabs.peaks (3.43, 1.97, 40.78 ppm; 4.59 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 55 + HD3 ARG 55 OK 100 100 100 100 2.8-4.2 2688=100, 4759/1.8=95...(6) Violated in 0 structures by 0.00 A. Peak 2732 from cnoeabs.peaks (-0.28, 1.97, 40.78 ppm; 4.80 A): 3 out of 3 assignments used, quality = 1.00: * HB3 ARG 55 + HD3 ARG 55 OK 100 100 100 100 2.2-4.2 3.7=100 HG2 ARG 55 + HD3 ARG 55 OK 100 100 100 100 2.2-2.6 3.0=100 QD1 LEU 19 + HD3 ARG 55 OK 100 100 100 100 4.6-5.6 4704=87, 4679/4677=57...(12) Violated in 0 structures by 0.00 A. Peak 2733 from cnoeabs.peaks (-0.28, 1.97, 40.78 ppm; 4.80 A): 3 out of 3 assignments used, quality = 1.00: * HG2 ARG 55 + HD3 ARG 55 OK 100 100 100 100 2.2-2.6 3.0=100 HB3 ARG 55 + HD3 ARG 55 OK 100 100 100 100 2.2-4.2 3.7=100 QD1 LEU 19 + HD3 ARG 55 OK 100 100 100 100 4.6-5.6 4704=87, 4679/4677=56...(12) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2735 from cnoeabs.peaks (2.41, 1.97, 40.78 ppm; 3.72 A): 1 out of 4 assignments used, quality = 1.00: * HD2 ARG 55 + HD3 ARG 55 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLU 20 - HD3 ARG 55 far 0 90 0 - 5.6-8.2 HG2 MET 11 - HD3 ARG 55 far 0 81 0 - 7.6-11.2 HB3 LYS 22 - HD3 ARG 55 far 0 65 0 - 9.4-11.1 Violated in 0 structures by 0.00 A. 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): 2 out of 4 assignments used, quality = 1.00: * H ARG 56 + HA ARG 56 OK 100 100 100 100 2.8-2.9 3.0=100 H THR 59 + HA ARG 56 OK 70 78 100 90 2.8-3.9 4.0/4838=41, 4.6/3843=38...(11) QD PHE 52 - HA ARG 56 far 0 100 0 - 6.6-8.1 QD PHE 52 - HA ARG 21 far 0 93 0 - 8.6-9.6 Violated in 0 structures by 0.00 A. 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 6 assignments used, quality = 1.00: * HB2 ARG 56 + HA ARG 56 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LYS 58 - HA ARG 56 far 10 97 10 - 5.1-6.4 HB3 ARG 61 - HA ARG 56 far 5 99 5 - 4.5-12.5 HG2 LYS 22 - HA ARG 21 far 0 91 0 - 6.8-7.8 HB3 ARG 61 - HA ARG 21 far 0 92 0 - 8.1-22.8 HD2 LYS 49 - HA ARG 56 far 0 87 0 - 9.6-14.1 Violated in 0 structures by 0.00 A. Peak 2740 from cnoeabs.peaks (2.04, 4.08, 59.51 ppm; 3.78 A): 2 out of 7 assignments used, quality = 1.00: * HB3 ARG 56 + HA ARG 56 OK 100 100 100 100 2.5-3.0 3.0=100 HB3 GLU 20 + HA ARG 21 OK 80 93 95 91 3.9-5.6 55/2.9=45, ~54=36...(11) HB2 LYS 22 - HA ARG 21 far 0 73 0 - 5.6-6.6 HB2 GLN 26 - HA ARG 21 far 0 83 0 - 9.3-11.5 HB3 GLN 26 - HA ARG 21 far 0 83 0 - 9.4-11.1 HB2 GLN 26 - HA ARG 56 far 0 93 0 - 9.6-13.0 HB3 GLU 20 - HA ARG 56 far 0 100 0 - 9.7-12.2 Violated in 0 structures by 0.00 A. Peak 2741 from cnoeabs.peaks (2.20, 4.08, 59.51 ppm; 3.87 A): 1 out of 2 assignments used, quality = 1.00: * HG2 ARG 56 + HA ARG 56 OK 100 100 100 100 2.1-3.8 3.8=100 HB3 GLN 53 - HA ARG 56 far 0 83 0 - 7.6-8.4 Violated in 0 structures by 0.00 A. Peak 2742 from cnoeabs.peaks (1.45, 4.08, 59.51 ppm; 3.60 A): 1 out of 9 assignments used, quality = 0.99: * HG3 ARG 56 + HA ARG 56 OK 99 100 100 99 2.2-3.8 3.8=86, 775/3.0=45...(9) HG3 LYS 58 - HA ARG 56 far 5 100 5 - 4.9-8.0 HG3 LYS 60 - HA ARG 56 far 3 68 5 - 4.8-10.2 HG2 LYS 60 - HA ARG 56 far 3 65 5 - 3.6-10.5 HG3 LYS 62 - HA ARG 56 far 0 83 0 - 5.8-14.9 HG3 LYS 62 - HA ARG 21 far 0 73 0 - 6.0-26.4 HG2 LYS 62 - HA ARG 56 far 0 83 0 - 6.0-14.2 HG2 LYS 62 - HA ARG 21 far 0 73 0 - 6.1-24.8 HG3 LYS 60 - HA ARG 21 far 0 59 0 - 9.0-19.3 Violated in 3 structures by 0.03 A. Peak 2743 from cnoeabs.peaks (2.71, 4.08, 59.51 ppm; 5.34 A): 1 out of 2 assignments used, quality = 1.00: * HD2 ARG 56 + HA ARG 56 OK 100 100 100 100 3.0-5.3 5.1=100 HB3 TYR 28 - HA ARG 56 far 0 100 0 - 7.7-12.6 Violated in 0 structures by 0.00 A. Peak 2744 from cnoeabs.peaks (2.84, 4.08, 59.51 ppm; 5.10 A): 2 out of 5 assignments used, quality = 1.00: * HD3 ARG 56 + HA ARG 56 OK 100 100 100 100 2.0-4.8 5.1=99, 3.0/2742=91...(5) HE2 LYS 27 + HA ARG 56 OK 62 99 70 90 3.5-7.2 4862/4673=57...(6) HE2 LYS 58 - HA ARG 56 far 7 65 10 - 5.9-10.2 HE3 LYS 58 - HA ARG 56 far 3 65 5 - 6.4-10.1 HE2 LYS 27 - HA ARG 21 far 0 91 0 - 9.6-14.2 Violated in 0 structures by 0.00 A. Peak 2745 from cnoeabs.peaks (7.75, 1.72, 31.63 ppm; 4.05 A): 2 out of 3 assignments used, quality = 1.00: * H ARG 56 + HB2 ARG 56 OK 100 100 100 100 2.1-3.6 3.9=100 H THR 59 + HB2 ARG 56 OK 42 78 70 77 4.4-6.3 2737/3.0=26, 304=21...(8) QD PHE 52 - HB2 ARG 56 far 10 100 10 - 5.1-8.3 Violated in 0 structures by 0.00 A. Peak 2746 from cnoeabs.peaks (4.08, 1.72, 31.63 ppm; 4.09 A): 1 out of 3 assignments used, quality = 1.00: * HA ARG 56 + HB2 ARG 56 OK 100 100 100 100 2.4-3.0 3.0=100 HA LYS 58 - HB2 ARG 56 far 0 63 0 - 7.2-8.3 HA SER 24 - HB2 ARG 56 far 0 100 0 - 8.2-11.5 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * HB3 ARG 56 + HB2 ARG 56 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLN 26 - HB2 ARG 56 far 0 93 0 - 8.3-13.2 HB3 GLN 26 - HB2 ARG 56 far 0 93 0 - 9.3-14.2 HB3 GLU 20 - HB2 ARG 56 far 0 100 0 - 9.9-14.2 Violated in 0 structures by 0.00 A. Peak 2749 from cnoeabs.peaks (2.20, 1.72, 31.63 ppm; 4.52 A): 2 out of 2 assignments used, quality = 1.00: * HG2 ARG 56 + HB2 ARG 56 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLN 53 + HB2 ARG 56 OK 34 83 45 92 5.0-7.1 3.0/3826=59, ~3827=45...(7) Violated in 0 structures by 0.00 A. Peak 2750 from cnoeabs.peaks (1.45, 1.72, 31.63 ppm; 4.18 A): 1 out of 7 assignments used, quality = 1.00: * HG3 ARG 56 + HB2 ARG 56 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 60 - HB2 ARG 56 far 7 68 10 - 3.2-12.9 HG2 LYS 60 - HB2 ARG 56 far 7 65 10 - 3.0-13.2 HG3 LYS 62 - HB2 ARG 56 far 0 83 0 - 5.7-17.1 HG2 LYS 62 - HB2 ARG 56 far 0 83 0 - 5.9-17.1 HG3 LYS 58 - HB2 ARG 56 far 0 100 0 - 6.8-9.6 HB3 LEU 29 - HB2 ARG 56 far 0 99 0 - 10.0-13.6 Violated in 0 structures by 0.00 A. Peak 2751 from cnoeabs.peaks (2.71, 1.72, 31.63 ppm; 4.94 A): 1 out of 2 assignments used, quality = 1.00: * HD2 ARG 56 + HB2 ARG 56 OK 100 100 100 100 2.2-4.2 3.6=100 HB3 TYR 28 - HB2 ARG 56 far 0 100 0 - 6.8-11.8 Violated in 0 structures by 0.00 A. Peak 2752 from cnoeabs.peaks (2.84, 1.72, 31.63 ppm; 4.28 A): 2 out of 4 assignments used, quality = 1.00: * HD3 ARG 56 + HB2 ARG 56 OK 100 100 100 100 2.1-4.2 3.6=100 HE2 LYS 27 + HB2 ARG 56 OK 45 99 60 76 4.1-7.9 2776/3.0=27, 2768/3.0=22...(6) HE2 LYS 58 - HB2 ARG 56 far 0 65 0 - 8.0-11.7 HE3 LYS 58 - HB2 ARG 56 far 0 65 0 - 8.2-11.9 Violated in 0 structures by 0.00 A. Peak 2753 from cnoeabs.peaks (7.75, 2.04, 31.63 ppm; 4.01 A): 2 out of 5 assignments used, quality = 1.00: * H ARG 56 + HB3 ARG 56 OK 100 100 100 100 2.1-3.6 3.9=100 H THR 59 + HB3 ARG 56 OK 37 78 70 67 4.8-6.5 2737/3.0=26, 2745/1.8=22...(6) QD PHE 52 - HB3 ARG 56 poor 9 100 20 44 5.1-7.8 4635/4644=22...(4) QD PHE 52 - HB3 GLN 26 far 7 72 10 - 5.2-8.3 QD PHE 52 - HB2 GLN 26 far 0 72 0 - 6.0-7.7 Violated in 0 structures by 0.00 A. Peak 2754 from cnoeabs.peaks (4.08, 2.04, 31.63 ppm; 4.13 A): 1 out of 10 assignments used, quality = 1.00: * HA ARG 56 + HB3 ARG 56 OK 100 100 100 100 2.5-3.0 3.0=100 HA SER 24 - HB2 GLN 26 far 0 72 0 - 6.8-8.0 HA SER 24 - HB3 GLN 26 far 0 72 0 - 7.1-7.8 HA LYS 58 - HB3 ARG 56 far 0 63 0 - 7.2-8.2 HA GLU 33 - HB2 GLN 26 far 0 69 0 - 7.9-10.9 HA SER 24 - HB3 ARG 56 far 0 100 0 - 8.3-11.6 HA GLU 33 - HB3 GLN 26 far 0 69 0 - 8.5-10.2 HA ARG 21 - HB2 GLN 26 far 0 68 0 - 9.3-11.5 HA ARG 21 - HB3 GLN 26 far 0 68 0 - 9.4-11.1 HA ARG 56 - HB2 GLN 26 far 0 72 0 - 9.6-13.0 Violated in 0 structures by 0.00 A. Peak 2755 from cnoeabs.peaks (1.72, 2.04, 31.63 ppm; 3.22 A): 1 out of 13 assignments used, quality = 1.00: * HB2 ARG 56 + HB3 ARG 56 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ARG 61 - HB3 ARG 56 far 0 99 0 - 5.1-15.3 HG2 LYS 22 - HB2 GLN 26 far 0 70 0 - 5.6-10.5 HG2 LYS 22 - HB3 GLN 26 far 0 70 0 - 6.0-9.8 HD2 LYS 49 - HB3 ARG 56 far 0 87 0 - 6.8-11.4 HB3 LYS 58 - HB3 ARG 56 far 0 97 0 - 6.8-7.6 HD3 LYS 49 - HB3 ARG 56 far 0 85 0 - 7.9-12.0 HB2 ARG 56 - HB2 GLN 26 far 0 72 0 - 8.3-13.2 HB3 LEU 37 - HB2 GLN 26 far 0 66 0 - 9.3-12.5 HB2 ARG 56 - HB3 GLN 26 far 0 72 0 - 9.3-14.2 HB3 LEU 37 - HB3 GLN 26 far 0 66 0 - 9.6-12.2 HB3 ARG 61 - HB2 GLN 26 far 0 70 0 - 9.8-21.7 HD3 LYS 49 - HB3 GLN 26 far 0 55 0 - 10.0-17.8 Violated in 0 structures by 0.00 A. 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): 2 out of 4 assignments used, quality = 1.00: * HG2 ARG 56 + HB3 ARG 56 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLN 53 + HB3 ARG 56 OK 78 83 95 99 4.7-7.3 3.0/3827=90, ~3826=65...(7) HG2 ARG 56 - HB2 GLN 26 far 0 72 0 - 7.8-12.9 HG2 ARG 56 - HB3 GLN 26 far 0 72 0 - 8.1-12.1 Violated in 0 structures by 0.00 A. Peak 2758 from cnoeabs.peaks (1.45, 2.04, 31.63 ppm; 4.79 A): 1 out of 11 assignments used, quality = 1.00: * HG3 ARG 56 + HB3 ARG 56 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LEU 29 - HB3 GLN 26 poor 14 69 20 - 6.0-8.1 HB3 LEU 29 - HB2 GLN 26 far 7 69 10 - 6.3-7.7 HG3 LYS 60 - HB3 ARG 56 far 7 68 10 - 4.8-12.6 HG2 LYS 60 - HB3 ARG 56 far 3 65 5 - 4.7-12.7 HG3 LYS 58 - HB3 ARG 56 far 0 100 0 - 6.4-9.5 HG3 LYS 62 - HB3 ARG 56 far 0 83 0 - 7.1-17.8 HG2 LYS 62 - HB3 ARG 56 far 0 83 0 - 7.5-17.2 HG3 ARG 56 - HB2 GLN 26 far 0 72 0 - 7.6-12.0 HG3 ARG 56 - HB3 GLN 26 far 0 72 0 - 8.1-11.7 HB3 LEU 29 - HB3 ARG 56 far 0 99 0 - 8.8-13.4 Violated in 0 structures by 0.00 A. Peak 2760 from cnoeabs.peaks (2.84, 2.04, 31.63 ppm; 4.48 A): 2 out of 8 assignments used, quality = 1.00: * HD3 ARG 56 + HB3 ARG 56 OK 100 100 100 100 2.0-4.2 3.6=100 HE2 LYS 27 + HB3 ARG 56 OK 38 99 45 86 4.2-8.0 4862/4644=41...(6) HE2 LYS 27 - HB2 GLN 26 poor 14 70 20 - 5.2-9.6 HE2 LYS 27 - HB3 GLN 26 far 3 70 5 - 5.9-9.3 HD3 ARG 56 - HB3 GLN 26 far 0 72 0 - 6.7-12.9 HD3 ARG 56 - HB2 GLN 26 far 0 72 0 - 7.3-12.4 HE2 LYS 58 - HB3 ARG 56 far 0 65 0 - 7.4-11.8 HE3 LYS 58 - HB3 ARG 56 far 0 65 0 - 7.6-11.4 Violated in 0 structures by 0.00 A. Peak 2761 from cnoeabs.peaks (7.75, 2.20, 30.34 ppm; 4.99 A): 3 out of 3 assignments used, quality = 1.00: * H ARG 56 + HG2 ARG 56 OK 100 100 100 100 3.0-4.4 4.6=100 H THR 59 + HG2 ARG 56 OK 51 78 90 72 4.7-6.6 2737/3.8=31, 2745/3.0=25...(5) QD PHE 52 + HG2 ARG 56 OK 22 100 40 56 4.3-7.8 4635/4643=35...(5) Violated in 0 structures by 0.00 A. Peak 2762 from cnoeabs.peaks (4.08, 2.20, 30.34 ppm; 4.75 A): 1 out of 3 assignments used, quality = 1.00: * HA ARG 56 + HG2 ARG 56 OK 100 100 100 100 2.1-3.8 3.8=100 HA LYS 58 - HG2 ARG 56 far 0 63 0 - 6.8-9.5 HA SER 24 - HG2 ARG 56 far 0 100 0 - 7.7-11.1 Violated in 0 structures by 0.00 A. Peak 2763 from cnoeabs.peaks (1.72, 2.20, 30.34 ppm; 4.96 A): 1 out of 5 assignments used, quality = 1.00: * HB2 ARG 56 + HG2 ARG 56 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 ARG 61 - HG2 ARG 56 far 15 99 15 - 3.2-14.2 HB3 LYS 58 - HG2 ARG 56 far 0 97 0 - 6.9-8.9 HD2 LYS 49 - HG2 ARG 56 far 0 87 0 - 8.1-13.4 HD3 LYS 49 - HG2 ARG 56 far 0 85 0 - 8.8-14.0 Violated in 0 structures by 0.00 A. Peak 2764 from cnoeabs.peaks (2.04, 2.20, 30.34 ppm; 5.32 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ARG 56 + HG2 ARG 56 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLN 26 - HG2 ARG 56 far 0 93 0 - 7.8-12.9 HB3 GLN 26 - HG2 ARG 56 far 0 93 0 - 8.1-12.1 Violated in 0 structures by 0.00 A. 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 7 assignments used, quality = 1.00: * HG3 ARG 56 + HG2 ARG 56 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 LYS 60 - HG2 ARG 56 far 3 65 5 - 4.7-13.4 HG3 LYS 60 - HG2 ARG 56 far 0 68 0 - 5.6-12.9 HG3 LYS 62 - HG2 ARG 56 far 0 83 0 - 5.9-16.6 HG2 LYS 62 - HG2 ARG 56 far 0 83 0 - 6.9-16.6 HG3 LYS 58 - HG2 ARG 56 far 0 100 0 - 7.0-11.1 HB3 LEU 29 - HG2 ARG 56 far 0 99 0 - 8.8-13.0 Violated in 0 structures by 0.00 A. Peak 2767 from cnoeabs.peaks (2.71, 2.20, 30.34 ppm; 5.14 A): 1 out of 2 assignments used, quality = 1.00: * HD2 ARG 56 + HG2 ARG 56 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 TYR 28 - HG2 ARG 56 far 15 100 15 - 5.2-10.2 Violated in 0 structures by 0.00 A. Peak 2768 from cnoeabs.peaks (2.84, 2.20, 30.34 ppm; 5.16 A): 2 out of 4 assignments used, quality = 1.00: * HD3 ARG 56 + HG2 ARG 56 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 27 + HG2 ARG 56 OK 89 99 95 95 2.5-7.7 4862/4643=58...(9) HE2 LYS 58 - HG2 ARG 56 far 0 65 0 - 8.0-13.3 HE3 LYS 58 - HG2 ARG 56 far 0 65 0 - 8.0-12.8 Violated in 0 structures by 0.00 A. Peak 2769 from cnoeabs.peaks (7.75, 1.45, 30.34 ppm; 4.90 A): 3 out of 3 assignments used, quality = 1.00: * H ARG 56 + HG3 ARG 56 OK 100 100 100 100 1.9-4.6 4.6=100 H THR 59 + HG3 ARG 56 OK 46 78 80 73 4.2-6.9 2737/2742=31...(5) QD PHE 52 + HG3 ARG 56 OK 41 100 75 55 5.1-7.3 4635/4646=39...(4) Violated in 0 structures by 0.00 A. Peak 2770 from cnoeabs.peaks (4.08, 1.45, 30.34 ppm; 4.13 A): 1 out of 3 assignments used, quality = 1.00: * HA ARG 56 + HG3 ARG 56 OK 100 100 100 100 2.2-3.8 3.8=100 HA LYS 58 - HG3 ARG 56 far 0 63 0 - 7.2-9.3 HA SER 24 - HG3 ARG 56 far 0 100 0 - 8.1-10.5 Violated in 0 structures by 0.00 A. Peak 2771 from cnoeabs.peaks (1.72, 1.45, 30.34 ppm; 5.58 A): 1 out of 6 assignments used, quality = 1.00: * HB2 ARG 56 + HG3 ARG 56 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 ARG 61 - HG3 ARG 56 far 15 99 15 - 4.3-15.5 HB3 LYS 58 - HG3 ARG 56 far 5 97 5 - 6.6-9.0 HD2 LYS 49 - HG3 ARG 56 far 0 87 0 - 7.3-13.0 HD3 LYS 49 - HG3 ARG 56 far 0 85 0 - 8.6-13.9 HG13 ILE 50 - HG3 ARG 56 far 0 60 0 - 9.7-14.9 Violated in 0 structures by 0.00 A. Peak 2772 from cnoeabs.peaks (2.04, 1.45, 30.34 ppm; 4.60 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ARG 56 + HG3 ARG 56 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLN 26 - HG3 ARG 56 far 0 93 0 - 7.6-12.0 HB3 GLN 26 - HG3 ARG 56 far 0 93 0 - 8.1-11.7 Violated in 0 structures by 0.00 A. Peak 2773 from cnoeabs.peaks (2.20, 1.45, 30.34 ppm; 3.52 A): 1 out of 2 assignments used, quality = 1.00: * HG2 ARG 56 + HG3 ARG 56 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLN 53 - HG3 ARG 56 far 8 83 10 - 4.3-8.7 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HD2 ARG 56 + HG3 ARG 56 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 TYR 28 - HG3 ARG 56 far 10 100 10 - 5.6-10.2 Violated in 0 structures by 0.00 A. Peak 2776 from cnoeabs.peaks (2.84, 1.45, 30.34 ppm; 4.49 A): 2 out of 4 assignments used, quality = 1.00: * HD3 ARG 56 + HG3 ARG 56 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 27 + HG3 ARG 56 OK 85 99 95 90 2.0-7.8 4862/4646=51...(10) HE2 LYS 58 - HG3 ARG 56 far 0 65 0 - 7.8-13.3 HE3 LYS 58 - HG3 ARG 56 far 0 65 0 - 8.1-13.1 Violated in 0 structures by 0.00 A. Peak 2779 from cnoeabs.peaks (1.72, 2.71, 43.43 ppm; 4.78 A): 1 out of 5 assignments used, quality = 1.00: * HB2 ARG 56 + HD2 ARG 56 OK 100 100 100 100 2.2-4.2 3.6=100 HB3 ARG 61 - HD2 ARG 56 far 15 99 15 - 3.5-16.5 HD2 LYS 49 - HD2 ARG 56 far 9 87 10 - 6.1-14.0 HB3 LYS 58 - HD2 ARG 56 far 0 97 0 - 6.9-9.9 HD3 LYS 49 - HD2 ARG 56 far 0 85 0 - 7.2-14.8 Violated in 0 structures by 0.00 A. Peak 2780 from cnoeabs.peaks (2.04, 2.71, 43.43 ppm; 5.23 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ARG 56 + HD2 ARG 56 OK 100 100 100 100 2.5-4.2 3.6=100 HB2 GLN 26 - HD2 ARG 56 far 0 93 0 - 7.7-10.9 HB3 GLN 26 - HD2 ARG 56 far 0 93 0 - 7.7-12.1 HB2 LYS 22 - HD2 ARG 56 far 0 83 0 - 9.7-15.5 Violated in 0 structures by 0.00 A. Peak 2781 from cnoeabs.peaks (2.20, 2.71, 43.43 ppm; 4.77 A): 1 out of 2 assignments used, quality = 1.00: * HG2 ARG 56 + HD2 ARG 56 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 GLN 53 - HD2 ARG 56 poor 9 83 25 44 4.3-8.9 2757/3.6=20, 2749/3.6=16...(4) Violated in 0 structures by 0.00 A. Peak 2782 from cnoeabs.peaks (1.45, 2.71, 43.43 ppm; 4.33 A): 1 out of 7 assignments used, quality = 1.00: * HG3 ARG 56 + HD2 ARG 56 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 LYS 60 - HD2 ARG 56 far 7 65 10 - 4.2-14.7 HG2 LYS 62 - HD2 ARG 56 far 4 83 5 - 5.6-18.2 HG3 LYS 60 - HD2 ARG 56 far 3 68 5 - 4.3-14.4 HG3 LYS 62 - HD2 ARG 56 far 0 83 0 - 6.1-18.9 HG3 LYS 58 - HD2 ARG 56 far 0 100 0 - 8.0-11.7 HB3 LEU 29 - HD2 ARG 56 far 0 99 0 - 8.8-13.7 Violated in 0 structures by 0.00 A. 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): 2 out of 3 assignments used, quality = 1.00: * HD3 ARG 56 + HD2 ARG 56 OK 100 100 100 100 1.8-1.8 1.8=100 HE2 LYS 27 + HD2 ARG 56 OK 42 99 65 66 2.6-6.9 2776/3.0=17, 2768/3.0=13...(11) HE2 LYS 58 - HD2 ARG 56 far 0 65 0 - 9.6-13.7 Violated in 0 structures by 0.00 A. Peak 2787 from cnoeabs.peaks (1.72, 2.84, 43.43 ppm; 4.35 A): 1 out of 5 assignments used, quality = 1.00: * HB2 ARG 56 + HD3 ARG 56 OK 100 100 100 100 2.1-4.2 3.6=100 HB3 ARG 61 - HD3 ARG 56 far 15 99 15 - 2.0-15.9 HB3 LYS 58 - HD3 ARG 56 far 0 97 0 - 6.7-10.7 HD2 LYS 49 - HD3 ARG 56 far 0 87 0 - 7.4-14.6 HD3 LYS 49 - HD3 ARG 56 far 0 85 0 - 8.0-15.3 Violated in 0 structures by 0.00 A. Peak 2788 from cnoeabs.peaks (2.04, 2.84, 43.43 ppm; 4.67 A): 1 out of 4 assignments used, quality = 1.00: * HB3 ARG 56 + HD3 ARG 56 OK 100 100 100 100 2.0-4.2 3.6=100 HB3 GLN 26 - HD3 ARG 56 far 0 93 0 - 6.7-12.9 HB2 GLN 26 - HD3 ARG 56 far 0 93 0 - 7.3-12.4 HB2 LYS 22 - HD3 ARG 56 far 0 83 0 - 10.0-15.5 Violated in 0 structures by 0.00 A. Peak 2789 from cnoeabs.peaks (2.20, 2.84, 43.43 ppm; 4.65 A): 1 out of 2 assignments used, quality = 1.00: * HG2 ARG 56 + HD3 ARG 56 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLN 53 - HD3 ARG 56 poor 9 83 25 42 4.6-9.0 2757/3.6=19, 2749/3.6=15...(4) Violated in 0 structures by 0.00 A. Peak 2790 from cnoeabs.peaks (1.45, 2.84, 43.43 ppm; 4.27 A): 1 out of 7 assignments used, quality = 1.00: * HG3 ARG 56 + HD3 ARG 56 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 60 - HD3 ARG 56 far 3 68 5 - 5.6-14.8 HG2 LYS 60 - HD3 ARG 56 far 3 65 5 - 5.1-15.0 HG2 LYS 62 - HD3 ARG 56 far 0 83 0 - 5.9-17.9 HG3 LYS 62 - HD3 ARG 56 far 0 83 0 - 6.5-18.6 HB3 LEU 29 - HD3 ARG 56 far 0 99 0 - 7.8-14.0 HG3 LYS 58 - HD3 ARG 56 far 0 100 0 - 8.5-12.0 Violated in 0 structures by 0.00 A. Peak 2791 from cnoeabs.peaks (2.71, 2.84, 43.43 ppm; 2.95 A): 1 out of 2 assignments used, quality = 1.00: * HD2 ARG 56 + HD3 ARG 56 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 TYR 28 - HD3 ARG 56 far 10 100 10 - 3.6-11.7 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.7-2.8 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2796 from cnoeabs.peaks (3.17, 4.44, 59.02 ppm; 3.36 A): 1 out of 3 assignments used, quality = 1.00: * HB3 TYR 57 + HA TYR 57 OK 100 100 100 100 2.3-2.4 3.0=100 HD2 ARG 61 - HA TYR 57 far 0 71 0 - 5.0-16.7 HD3 ARG 61 - HA TYR 57 far 0 71 0 - 6.7-16.1 Violated in 0 structures by 0.00 A. Peak 2798 from cnoeabs.peaks (7.14, 4.44, 59.02 ppm; 3.39 A): 1 out of 2 assignments used, quality = 1.00: * QD TYR 57 + HA TYR 57 OK 100 100 100 100 3.0-3.2 4614=99, 783/3.0=42...(8) QD TYR 28 - HA TYR 57 far 0 93 0 - 8.6-12.4 Violated in 0 structures by 0.00 A. Peak 2799 from cnoeabs.peaks (7.56, 3.09, 37.92 ppm; 3.83 A): 1 out of 1 assignment used, quality = 1.00: * H TYR 57 + HB2 TYR 57 OK 100 100 100 100 2.2-2.6 780=100, 781/1.8=87...(7) Violated in 0 structures by 0.00 A. Peak 2800 from cnoeabs.peaks (4.44, 3.09, 37.92 ppm; 3.76 A): 1 out of 3 assignments used, quality = 1.00: * HA TYR 57 + HB2 TYR 57 OK 100 100 100 100 3.0-3.0 3.0=100 HA SER 65 - HB2 TYR 57 far 0 100 0 - 8.2-20.9 HA SER 66 - HB2 TYR 57 far 0 95 0 - 9.4-22.6 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HB3 TYR 57 + HB2 TYR 57 OK 100 100 100 100 1.8-1.8 1.8=100 HD2 ARG 61 - HB2 TYR 57 far 0 71 0 - 6.2-16.7 HD3 ARG 61 - HB2 TYR 57 far 0 71 0 - 7.9-16.7 Violated in 0 structures by 0.00 A. Peak 2804 from cnoeabs.peaks (7.14, 3.09, 37.92 ppm; 3.82 A): 1 out of 2 assignments used, quality = 1.00: * QD TYR 57 + HB2 TYR 57 OK 100 100 100 100 2.4-2.5 2.5=100 QD TYR 28 - HB2 TYR 57 far 0 93 0 - 9.8-13.2 Violated in 0 structures by 0.00 A. Peak 2805 from cnoeabs.peaks (7.56, 3.17, 37.92 ppm; 3.74 A): 1 out of 1 assignment used, quality = 1.00: * H TYR 57 + HB3 TYR 57 OK 100 100 100 100 2.5-2.9 781=100, 780/1.8=87...(8) Violated in 0 structures by 0.00 A. Peak 2806 from cnoeabs.peaks (4.44, 3.17, 37.92 ppm; 3.65 A): 1 out of 3 assignments used, quality = 1.00: * HA TYR 57 + HB3 TYR 57 OK 100 100 100 100 2.3-2.4 3.0=100 HA SER 65 - HB3 TYR 57 far 0 100 0 - 6.7-21.2 HA SER 66 - HB3 TYR 57 far 0 95 0 - 8.1-23.6 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * QD TYR 57 + HB3 TYR 57 OK 100 100 100 100 2.3-2.4 2.5=100 QD TYR 28 - HB3 TYR 57 far 0 93 0 - 9.2-13.0 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-2.2 2.2=100 Violated in 0 structures by 0.00 A. Peak 2818 from cnoeabs.peaks (4.44, 7.14, 133.12 ppm; 4.75 A): 1 out of 3 assignments used, quality = 0.86: * HA TYR 57 + QD TYR 57 OK 86 86 100 100 3.0-3.2 3.7=100 HA SER 65 - QD TYR 57 far 4 86 5 - 4.6-19.9 HA SER 66 - QD TYR 57 far 0 77 0 - 6.4-21.0 Violated in 0 structures by 0.00 A. 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 86 100 100 2.4-2.5 2.5=100 Violated in 0 structures by 0.00 A. Peak 2820 from cnoeabs.peaks (3.17, 7.14, 133.12 ppm; 4.66 A): 1 out of 3 assignments used, quality = 0.86: * HB3 TYR 57 + QD TYR 57 OK 86 86 100 100 2.3-2.4 2.5=100 HD2 ARG 61 - QD TYR 57 far 3 55 5 - 4.2-15.0 HD3 ARG 61 - QD TYR 57 far 3 55 5 - 5.7-14.9 Violated in 0 structures by 0.00 A. Peak 2821 from cnoeabs.peaks (6.81, 7.14, 133.12 ppm; 3.67 A): 1 out of 2 assignments used, quality = 0.86: * QE TYR 57 + QD TYR 57 OK 86 86 100 100 2.2-2.2 2.2=100 QE TYR 28 - QD TYR 57 far 0 55 0 - 8.0-12.7 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. 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 5 assignments used, quality = 1.00: * HB2 LYS 58 + HA LYS 58 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LYS 60 - HA LYS 58 far 4 73 5 - 4.7-10.2 HB2 LYS 62 - HA LYS 58 far 0 68 0 - 5.7-15.3 HB2 ARG 61 - HA LYS 58 far 0 98 0 - 5.9-11.6 HB3 LYS 62 - HA LYS 58 far 0 65 0 - 6.0-14.9 Violated in 0 structures by 0.00 A. Peak 2826 from cnoeabs.peaks (1.73, 4.11, 57.48 ppm; 3.26 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LYS 58 + HA LYS 58 OK 100 100 100 100 2.5-3.0 3.0=100 HB3 ARG 61 - HA LYS 58 far 5 100 5 - 4.2-11.7 HB2 ARG 56 - HA LYS 58 far 0 97 0 - 7.2-8.3 Violated in 0 structures by 0.00 A. Peak 2827 from cnoeabs.peaks (1.36, 4.11, 57.48 ppm; 3.73 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 58 + HA LYS 58 OK 100 100 100 100 2.3-3.7 4.0=82, 1.8/2864=67...(16) HD3 LYS 27 - HA LYS 58 far 0 68 0 - 8.8-13.5 Violated in 0 structures by 0.00 A. Peak 2828 from cnoeabs.peaks (1.45, 4.11, 57.48 ppm; 4.01 A): 1 out of 6 assignments used, quality = 1.00: * HG3 LYS 58 + HA LYS 58 OK 100 100 100 100 2.3-4.0 4.0=100 HG3 LYS 60 - HA LYS 58 poor 16 65 25 - 4.4-10.4 HG2 LYS 60 - HA LYS 58 far 9 63 15 - 3.8-9.7 HG3 LYS 62 - HA LYS 58 far 0 81 0 - 5.9-15.5 HG2 LYS 62 - HA LYS 58 far 0 81 0 - 6.0-16.6 HG3 ARG 56 - HA LYS 58 far 0 100 0 - 7.2-9.3 Violated in 0 structures by 0.00 A. Peak 2829 from cnoeabs.peaks (1.54, 4.11, 57.48 ppm; 3.97 A): 2 out of 2 assignments used, quality = 1.00: * HD2 LYS 58 + HA LYS 58 OK 100 100 100 100 2.0-4.7 3.0/2827=64, 3.0/2864=59...(15) HD3 LYS 58 + HA LYS 58 OK 100 100 100 100 2.2-5.1 3.0/2827=64, 3.0/2864=59...(15) Violated in 3 structures by 0.01 A. Peak 2830 from cnoeabs.peaks (1.54, 4.11, 57.48 ppm; 3.97 A): 2 out of 2 assignments used, quality = 1.00: HD2 LYS 58 + HA LYS 58 OK 100 100 100 100 2.0-4.7 3.0/2827=64, 3.0/2864=59...(15) * HD3 LYS 58 + HA LYS 58 OK 100 100 100 100 2.2-5.1 3.0/2827=64, 3.0/2864=59...(15) Violated in 3 structures by 0.01 A. 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 100 100 100 100 2.9-3.6 4.0=100 Violated in 0 structures by 0.00 A. Peak 2834 from cnoeabs.peaks (4.11, 1.80, 32.42 ppm; 4.06 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 58 + HB2 LYS 58 OK 100 100 100 100 2.4-3.0 3.0=100 HA ARG 56 - HB2 LYS 58 far 3 63 5 - 5.5-6.8 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HB3 LYS 58 + HB2 LYS 58 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ARG 61 - HB2 LYS 58 far 0 100 0 - 6.1-12.1 HB2 ARG 56 - HB2 LYS 58 far 0 97 0 - 7.5-9.0 Violated in 0 structures by 0.00 A. Peak 2837 from cnoeabs.peaks (1.36, 1.80, 32.42 ppm; 4.33 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 58 + HB2 LYS 58 OK 100 100 100 100 2.2-3.0 2.8=100 HD3 LYS 27 - HB2 LYS 58 far 0 68 0 - 9.1-14.0 Violated in 0 structures by 0.00 A. Peak 2838 from cnoeabs.peaks (1.45, 1.80, 32.42 ppm; 3.86 A): 1 out of 6 assignments used, quality = 1.00: * HG3 LYS 58 + HB2 LYS 58 OK 100 100 100 100 2.3-3.0 2.8=100 HG3 LYS 60 - HB2 LYS 58 poor 16 65 25 - 3.2-10.9 HG2 LYS 60 - HB2 LYS 58 poor 16 63 25 - 2.7-10.6 HG3 LYS 62 - HB2 LYS 58 far 8 81 10 - 3.5-16.4 HG2 LYS 62 - HB2 LYS 58 far 4 81 5 - 5.1-14.8 HG3 ARG 56 - HB2 LYS 58 far 0 100 0 - 7.6-10.0 Violated in 0 structures by 0.00 A. Peak 2839 from cnoeabs.peaks (1.54, 1.80, 32.42 ppm; 4.11 A): 2 out of 2 assignments used, quality = 1.00: * HD2 LYS 58 + HB2 LYS 58 OK 100 100 100 100 2.0-4.2 3.5=100 HD3 LYS 58 + HB2 LYS 58 OK 100 100 100 100 2.1-3.7 3.5=100 Violated in 0 structures by 0.00 A. Peak 2840 from cnoeabs.peaks (1.54, 1.80, 32.42 ppm; 4.11 A): 2 out of 2 assignments used, quality = 1.00: HD2 LYS 58 + HB2 LYS 58 OK 100 100 100 100 2.0-4.2 3.5=100 * HD3 LYS 58 + HB2 LYS 58 OK 100 100 100 100 2.1-3.7 3.5=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-2.7 4.0=100 Violated in 0 structures by 0.00 A. Peak 2844 from cnoeabs.peaks (4.11, 1.73, 32.42 ppm; 3.94 A): 2 out of 3 assignments used, quality = 1.00: * HA LYS 58 + HB3 LYS 58 OK 100 100 100 100 2.5-3.0 3.0=100 HA ARG 56 + HB3 LYS 58 OK 32 63 80 64 5.1-6.4 3843/787=28, 3.6/289=22...(6) HA SER 24 - HB3 LYS 58 far 0 57 0 - 9.9-14.0 Violated in 0 structures by 0.00 A. Peak 2845 from cnoeabs.peaks (1.80, 1.73, 32.42 ppm; 2.40 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LYS 58 + HB3 LYS 58 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 60 - HB3 LYS 58 far 0 73 0 - 4.3-10.9 HB2 LYS 62 - HB3 LYS 58 far 0 68 0 - 4.6-16.6 HB3 LYS 62 - HB3 LYS 58 far 0 65 0 - 4.9-15.6 HB2 ARG 61 - HB3 LYS 58 far 0 98 0 - 7.5-11.9 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HG2 LYS 58 + HB3 LYS 58 OK 100 100 100 100 2.4-3.0 2.8=100 HD3 LYS 27 - HB3 LYS 58 far 0 68 0 - 8.2-13.0 Violated in 0 structures by 0.00 A. Peak 2848 from cnoeabs.peaks (1.45, 1.73, 32.42 ppm; 4.10 A): 1 out of 6 assignments used, quality = 1.00: * HG3 LYS 58 + HB3 LYS 58 OK 100 100 100 100 2.3-3.0 2.8=100 HG3 LYS 60 - HB3 LYS 58 poor 13 65 20 - 2.6-11.5 HG2 LYS 60 - HB3 LYS 58 poor 13 63 20 - 3.9-11.5 HG3 LYS 62 - HB3 LYS 58 far 4 81 5 - 4.3-16.4 HG2 LYS 62 - HB3 LYS 58 far 0 81 0 - 6.0-14.7 HG3 ARG 56 - HB3 LYS 58 far 0 100 0 - 6.6-9.0 Violated in 0 structures by 0.00 A. Peak 2849 from cnoeabs.peaks (1.54, 1.73, 32.42 ppm; 4.21 A): 2 out of 3 assignments used, quality = 1.00: HD3 LYS 58 + HB3 LYS 58 OK 100 100 100 100 2.3-4.1 3.5=100 * HD2 LYS 58 + HB3 LYS 58 OK 100 100 100 100 2.6-4.1 3.5=100 HB3 LYS 27 - HB3 LYS 58 far 0 83 0 - 10.0-15.5 Violated in 0 structures by 0.00 A. Peak 2850 from cnoeabs.peaks (1.54, 1.73, 32.42 ppm; 4.21 A): 2 out of 3 assignments used, quality = 1.00: * HD3 LYS 58 + HB3 LYS 58 OK 100 100 100 100 2.3-4.1 3.5=100 HD2 LYS 58 + HB3 LYS 58 OK 100 100 100 100 2.6-4.1 3.5=100 HB3 LYS 27 - HB3 LYS 58 far 0 83 0 - 10.0-15.5 Violated in 0 structures by 0.00 A. Peak 2853 from cnoeabs.peaks (7.68, 1.36, 24.85 ppm; 5.57 A): 1 out of 5 assignments used, quality = 1.00: * H LYS 58 + HG2 LYS 58 OK 100 100 100 100 2.6-4.5 4.9=100 H LYS 39 - HG2 LYS 42 far 0 97 0 - 7.3-9.0 H LYS 39 - HG3 LYS 42 far 0 97 0 - 7.3-9.1 HE22 GLN 47 - HG2 LYS 42 far 0 92 0 - 8.6-12.3 HE22 GLN 47 - HG3 LYS 42 far 0 92 0 - 8.9-12.5 Violated in 0 structures by 0.00 A. Peak 2854 from cnoeabs.peaks (4.11, 1.36, 24.85 ppm; 4.26 A): 1 out of 4 assignments used, quality = 1.00: * HA LYS 58 + HG2 LYS 58 OK 100 100 100 100 2.3-3.7 4.0=100 HA LYS 39 - HG3 LYS 42 far 10 64 15 - 5.1-7.2 HA LYS 39 - HG2 LYS 42 far 3 64 5 - 5.7-6.7 HA ARG 56 - HG2 LYS 58 far 3 63 5 - 4.5-7.9 Violated in 0 structures by 0.00 A. Peak 2855 from cnoeabs.peaks (1.80, 1.36, 24.85 ppm; 3.90 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LYS 58 + HG2 LYS 58 OK 100 100 100 100 2.2-3.0 2.8=100 HB3 LYS 60 - HG2 LYS 58 far 4 73 5 - 5.0-11.6 HB2 LYS 62 - HG2 LYS 58 far 3 68 5 - 4.7-17.2 HB3 LYS 62 - HG2 LYS 58 far 0 65 0 - 6.2-16.1 HB2 ARG 61 - HG2 LYS 58 far 0 98 0 - 8.8-12.7 Violated in 0 structures by 0.00 A. Peak 2856 from cnoeabs.peaks (1.73, 1.36, 24.85 ppm; 3.49 A): 3 out of 6 assignments used, quality = 1.00: * HB3 LYS 58 + HG2 LYS 58 OK 100 100 100 100 2.4-3.0 2.8=100 HD2 LYS 42 + HG2 LYS 42 OK 93 93 100 100 2.2-3.0 3.0=100 HD2 LYS 42 + HG3 LYS 42 OK 93 93 100 100 2.4-3.0 3.0=100 HB2 ARG 56 - HG2 LYS 58 far 0 97 0 - 6.7-10.0 HB3 ARG 61 - HG2 LYS 58 far 0 100 0 - 7.1-12.8 HB3 LEU 37 - HG2 LYS 42 far 0 98 0 - 8.9-12.5 Violated in 0 structures by 0.00 A. 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 12 assignments used, quality = 1.00: * HG3 LYS 58 + HG2 LYS 58 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 LYS 62 - HG2 LYS 58 far 0 81 0 - 4.0-17.3 HG2 LYS 60 - HG2 LYS 58 far 0 63 0 - 4.4-11.7 HB3 LEU 41 - HG2 LYS 42 far 0 62 0 - 4.8-7.5 HG LEU 43 - HG2 LYS 42 far 0 85 0 - 5.1-6.7 HG3 LYS 60 - HG2 LYS 58 far 0 65 0 - 5.1-12.5 HG2 LYS 62 - HG2 LYS 58 far 0 81 0 - 5.6-16.9 HG2 LYS 39 - HG3 LYS 42 far 0 69 0 - 5.9-8.7 HG LEU 43 - HG3 LYS 42 far 0 85 0 - 5.9-6.5 HB3 LEU 41 - HG3 LYS 42 far 0 62 0 - 6.3-6.7 HG2 LYS 39 - HG2 LYS 42 far 0 69 0 - 6.5-8.2 HG3 ARG 56 - HG2 LYS 58 far 0 100 0 - 6.7-11.0 Violated in 0 structures by 0.00 A. Peak 2859 from cnoeabs.peaks (1.54, 1.36, 24.85 ppm; 3.08 A): 2 out of 6 assignments used, quality = 1.00: HD3 LYS 58 + HG2 LYS 58 OK 100 100 100 100 2.2-3.0 3.0=100 * HD2 LYS 58 + HG2 LYS 58 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 39 - HG3 LYS 42 far 0 97 0 - 7.0-9.2 HG3 LYS 39 - HG2 LYS 42 far 0 97 0 - 7.3-9.0 HG LEU 37 - HG2 LYS 42 far 0 79 0 - 8.6-13.0 HG LEU 37 - HG3 LYS 42 far 0 79 0 - 9.9-12.9 Violated in 0 structures by 0.00 A. Peak 2860 from cnoeabs.peaks (1.54, 1.36, 24.85 ppm; 3.08 A): 2 out of 6 assignments used, quality = 1.00: * HD3 LYS 58 + HG2 LYS 58 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 58 + HG2 LYS 58 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 39 - HG3 LYS 42 far 0 97 0 - 7.0-9.2 HG3 LYS 39 - HG2 LYS 42 far 0 97 0 - 7.3-9.0 HG LEU 37 - HG2 LYS 42 far 0 79 0 - 8.6-13.0 HG LEU 37 - HG3 LYS 42 far 0 79 0 - 9.9-12.9 Violated in 0 structures by 0.00 A. Peak 2861 from cnoeabs.peaks (2.87, 1.36, 24.85 ppm; 4.30 A): 2 out of 3 assignments used, quality = 1.00: HE3 LYS 58 + HG2 LYS 58 OK 100 100 100 100 2.1-4.2 3.9=100 * HE2 LYS 58 + HG2 LYS 58 OK 100 100 100 100 2.2-4.2 3.9=100 HD3 ARG 56 - HG2 LYS 58 far 0 65 0 - 8.1-12.5 Violated in 0 structures by 0.00 A. Peak 2862 from cnoeabs.peaks (2.87, 1.36, 24.85 ppm; 4.30 A): 2 out of 3 assignments used, quality = 1.00: * HE3 LYS 58 + HG2 LYS 58 OK 100 100 100 100 2.1-4.2 3.9=100 HE2 LYS 58 + HG2 LYS 58 OK 100 100 100 100 2.2-4.2 3.9=100 HD3 ARG 56 - HG2 LYS 58 far 0 65 0 - 8.1-12.5 Violated in 0 structures by 0.00 A. Peak 2863 from cnoeabs.peaks (7.68, 1.45, 24.85 ppm; 4.49 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 58 + HG3 LYS 58 OK 100 100 100 100 2.5-4.3 789=100, 787/2.8=86...(16) Violated in 0 structures by 0.00 A. Peak 2864 from cnoeabs.peaks (4.11, 1.45, 24.85 ppm; 3.98 A): 1 out of 2 assignments used, quality = 0.99: * HA LYS 58 + HG3 LYS 58 OK 99 100 100 99 2.3-4.0 4.0=99 HA ARG 56 - HG3 LYS 58 far 3 63 5 - 4.9-8.0 Violated in 1 structures by 0.00 A. Peak 2865 from cnoeabs.peaks (1.80, 1.45, 24.85 ppm; 3.36 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LYS 58 + HG3 LYS 58 OK 100 100 100 100 2.3-3.0 2.8=100 HB2 LYS 62 - HG3 LYS 58 far 0 68 0 - 5.2-17.6 HB3 LYS 60 - HG3 LYS 58 far 0 73 0 - 5.5-11.4 HB3 LYS 62 - HG3 LYS 58 far 0 65 0 - 5.7-16.4 HB2 ARG 61 - HG3 LYS 58 far 0 98 0 - 9.4-13.0 Violated in 0 structures by 0.00 A. Peak 2866 from cnoeabs.peaks (1.73, 1.45, 24.85 ppm; 3.67 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LYS 58 + HG3 LYS 58 OK 100 100 100 100 2.3-3.0 2.8=100 HB2 ARG 56 - HG3 LYS 58 far 0 97 0 - 6.8-9.6 HB3 ARG 61 - HG3 LYS 58 far 0 100 0 - 8.0-13.9 Violated in 0 structures by 0.00 A. Peak 2867 from cnoeabs.peaks (1.36, 1.45, 24.85 ppm; 2.40 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 58 + HG3 LYS 58 OK 100 100 100 100 1.8-1.8 1.8=100 HD3 LYS 27 - HG3 LYS 58 far 0 68 0 - 9.4-14.9 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: HD3 LYS 58 + HG3 LYS 58 OK 97 100 100 97 2.3-3.0 3.0=81, 2887/1.8=32...(12) * HD2 LYS 58 + HG3 LYS 58 OK 97 100 100 97 2.3-3.0 3.0=81, 2887/1.8=32...(12) Violated in 0 structures by 0.00 A. Peak 2870 from cnoeabs.peaks (1.54, 1.45, 24.85 ppm; 2.75 A): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 58 + HG3 LYS 58 OK 97 100 100 97 2.3-3.0 3.0=81, 2887/1.8=32...(12) HD2 LYS 58 + HG3 LYS 58 OK 97 100 100 97 2.3-3.0 3.0=81, 2887/1.8=32...(12) Violated in 0 structures by 0.00 A. Peak 2871 from cnoeabs.peaks (2.87, 1.45, 24.85 ppm; 4.13 A): 2 out of 3 assignments used, quality = 1.00: HE3 LYS 58 + HG3 LYS 58 OK 100 100 100 100 2.1-4.1 3.9=100 * HE2 LYS 58 + HG3 LYS 58 OK 100 100 100 100 2.1-3.9 3.9=100 HD3 ARG 56 - HG3 LYS 58 far 0 65 0 - 8.5-12.0 Violated in 0 structures by 0.00 A. Peak 2872 from cnoeabs.peaks (2.87, 1.45, 24.85 ppm; 4.13 A): 2 out of 3 assignments used, quality = 1.00: * HE3 LYS 58 + HG3 LYS 58 OK 100 100 100 100 2.1-4.1 3.9=100 HE2 LYS 58 + HG3 LYS 58 OK 100 100 100 100 2.1-3.9 3.9=100 HD3 ARG 56 - HG3 LYS 58 far 0 65 0 - 8.5-12.0 Violated in 0 structures by 0.00 A. Peak 2873 from cnoeabs.peaks (7.68, 1.54, 29.10 ppm; 5.05 A): 2 out of 2 assignments used, quality = 1.00: H LYS 58 + HD3 LYS 58 OK 100 100 100 100 1.9-5.4 787/3.5=87, 786/3.5=84...(14) * H LYS 58 + HD2 LYS 58 OK 100 100 100 100 2.1-5.9 787/3.5=87, 786/3.5=84...(14) Violated in 0 structures by 0.00 A. Peak 2874 from cnoeabs.peaks (4.11, 1.54, 29.10 ppm; 4.51 A): 2 out of 4 assignments used, quality = 1.00: * HA LYS 58 + HD2 LYS 58 OK 100 100 100 100 2.0-4.7 2827/3.0=78, 2864/3.0=73...(15) HA LYS 58 + HD3 LYS 58 OK 100 100 100 100 2.2-5.1 2827/3.0=78, 2864/3.0=73...(15) HA ARG 56 - HD3 LYS 58 far 6 63 10 - 5.2-9.2 HA ARG 56 - HD2 LYS 58 far 3 63 5 - 5.5-9.2 Violated in 0 structures by 0.00 A. Peak 2875 from cnoeabs.peaks (1.80, 1.54, 29.10 ppm; 3.85 A): 2 out of 10 assignments used, quality = 1.00: * HB2 LYS 58 + HD2 LYS 58 OK 100 100 100 100 2.0-4.2 3.5=100 HB2 LYS 58 + HD3 LYS 58 OK 100 100 100 100 2.1-3.7 3.5=100 HB3 LYS 60 - HD2 LYS 58 far 11 73 15 - 4.7-12.5 HB2 LYS 62 - HD2 LYS 58 far 7 68 10 - 3.8-18.6 HB3 LYS 60 - HD3 LYS 58 far 4 73 5 - 5.3-12.8 HB2 LYS 62 - HD3 LYS 58 far 3 68 5 - 4.7-19.3 HB3 LYS 62 - HD2 LYS 58 far 0 65 0 - 5.4-17.7 HB3 LYS 62 - HD3 LYS 58 far 0 65 0 - 6.3-18.3 HB2 ARG 61 - HD2 LYS 58 far 0 98 0 - 7.2-14.1 HB2 ARG 61 - HD3 LYS 58 far 0 98 0 - 8.9-14.8 Violated in 0 structures by 0.00 A. Peak 2876 from cnoeabs.peaks (1.73, 1.54, 29.10 ppm; 3.32 A): 2 out of 6 assignments used, quality = 1.00: HB3 LYS 58 + HD3 LYS 58 OK 99 100 100 99 2.3-4.1 3.5=85, 2.8/2870=32...(18) * HB3 LYS 58 + HD2 LYS 58 OK 99 100 100 99 2.6-4.1 3.5=85, 2.8/2870=32...(18) HB2 ARG 56 - HD3 LYS 58 far 0 97 0 - 6.8-10.9 HB3 ARG 61 - HD2 LYS 58 far 0 100 0 - 7.1-14.3 HB2 ARG 56 - HD2 LYS 58 far 0 97 0 - 7.2-11.0 HB3 ARG 61 - HD3 LYS 58 far 0 100 0 - 8.7-15.0 Violated in 1 structures by 0.00 A. Peak 2877 from cnoeabs.peaks (1.36, 1.54, 29.10 ppm; 2.75 A): 2 out of 4 assignments used, quality = 1.00: HG2 LYS 58 + HD3 LYS 58 OK 97 100 100 97 2.2-3.0 3.0=81, 1.8/2870=32...(11) * HG2 LYS 58 + HD2 LYS 58 OK 97 100 100 97 2.3-3.0 3.0=81, 1.8/2870=32...(11) HD3 LYS 27 - HD2 LYS 58 far 0 68 0 - 9.2-15.4 HD3 LYS 27 - HD3 LYS 58 far 0 68 0 - 9.4-16.2 Violated in 0 structures by 0.00 A. Peak 2878 from cnoeabs.peaks (1.45, 1.54, 29.10 ppm; 2.92 A): 2 out of 12 assignments used, quality = 1.00: HG3 LYS 58 + HD3 LYS 58 OK 100 100 100 100 2.3-3.0 3.0=97, 2869/1.8=36...(12) * HG3 LYS 58 + HD2 LYS 58 OK 100 100 100 100 2.3-3.0 3.0=97, 2869/1.8=36...(12) HG3 LYS 60 - HD2 LYS 58 far 7 65 10 - 2.6-14.3 HG3 LYS 60 - HD3 LYS 58 far 7 65 10 - 2.9-13.1 HG3 LYS 62 - HD2 LYS 58 far 4 81 5 - 3.6-18.6 HG2 LYS 60 - HD3 LYS 58 far 3 63 5 - 3.1-13.0 HG2 LYS 60 - HD2 LYS 58 far 3 63 5 - 3.5-13.6 HG3 LYS 62 - HD3 LYS 58 far 0 81 0 - 4.8-19.4 HG2 LYS 62 - HD2 LYS 58 far 0 81 0 - 5.1-16.9 HG2 LYS 62 - HD3 LYS 58 far 0 81 0 - 6.4-17.8 HG3 ARG 56 - HD2 LYS 58 far 0 100 0 - 6.6-12.0 HG3 ARG 56 - HD3 LYS 58 far 0 100 0 - 7.4-12.2 Violated in 0 structures by 0.00 A. 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 6 assignments used, quality = 1.00: HE3 LYS 58 + HD2 LYS 58 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 58 + HD3 LYS 58 OK 100 100 100 100 2.3-3.0 3.0=100 * HE2 LYS 58 + HD2 LYS 58 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 58 + HD3 LYS 58 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 ARG 56 - HD2 LYS 58 far 0 65 0 - 8.9-12.5 HD3 ARG 56 - HD3 LYS 58 far 0 65 0 - 9.2-13.0 Violated in 0 structures by 0.00 A. Peak 2882 from cnoeabs.peaks (2.87, 1.54, 29.10 ppm; 3.26 A): 4 out of 6 assignments used, quality = 1.00: * HE3 LYS 58 + HD2 LYS 58 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 58 + HD3 LYS 58 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 58 + HD2 LYS 58 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 58 + HD3 LYS 58 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 ARG 56 - HD2 LYS 58 far 0 65 0 - 8.9-12.5 HD3 ARG 56 - HD3 LYS 58 far 0 65 0 - 9.2-13.0 Violated in 0 structures by 0.00 A. Peak 2883 from cnoeabs.peaks (7.68, 1.54, 29.10 ppm; 5.05 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 58 + HD3 LYS 58 OK 100 100 100 100 1.9-5.4 787/3.5=87, 786/3.5=84...(14) H LYS 58 + HD2 LYS 58 OK 100 100 100 100 2.1-5.9 787/3.5=87, 786/3.5=84...(14) Violated in 0 structures by 0.00 A. Peak 2884 from cnoeabs.peaks (4.11, 1.54, 29.10 ppm; 4.51 A): 2 out of 4 assignments used, quality = 1.00: HA LYS 58 + HD2 LYS 58 OK 100 100 100 100 2.0-4.7 2827/3.0=78, 2864/3.0=73...(15) * HA LYS 58 + HD3 LYS 58 OK 100 100 100 100 2.2-5.1 2827/3.0=78, 2864/3.0=73...(15) HA ARG 56 - HD3 LYS 58 far 6 63 10 - 5.2-9.2 HA ARG 56 - HD2 LYS 58 far 3 63 5 - 5.5-9.2 Violated in 0 structures by 0.00 A. Peak 2885 from cnoeabs.peaks (1.80, 1.54, 29.10 ppm; 3.85 A): 2 out of 10 assignments used, quality = 1.00: HB2 LYS 58 + HD2 LYS 58 OK 100 100 100 100 2.0-4.2 3.5=100 * HB2 LYS 58 + HD3 LYS 58 OK 100 100 100 100 2.1-3.7 3.5=100 HB3 LYS 60 - HD2 LYS 58 far 11 73 15 - 4.7-12.5 HB2 LYS 62 - HD2 LYS 58 far 7 68 10 - 3.8-18.6 HB3 LYS 60 - HD3 LYS 58 far 4 73 5 - 5.3-12.8 HB2 LYS 62 - HD3 LYS 58 far 3 68 5 - 4.7-19.3 HB3 LYS 62 - HD2 LYS 58 far 0 65 0 - 5.4-17.7 HB3 LYS 62 - HD3 LYS 58 far 0 65 0 - 6.3-18.3 HB2 ARG 61 - HD2 LYS 58 far 0 98 0 - 7.2-14.1 HB2 ARG 61 - HD3 LYS 58 far 0 98 0 - 8.9-14.8 Violated in 0 structures by 0.00 A. Peak 2886 from cnoeabs.peaks (1.73, 1.54, 29.10 ppm; 3.32 A): 2 out of 6 assignments used, quality = 1.00: * HB3 LYS 58 + HD3 LYS 58 OK 99 100 100 99 2.3-4.1 3.5=85, 2.8/2870=32...(18) HB3 LYS 58 + HD2 LYS 58 OK 99 100 100 99 2.6-4.1 3.5=85, 2.8/2870=32...(18) HB2 ARG 56 - HD3 LYS 58 far 0 97 0 - 6.8-10.9 HB3 ARG 61 - HD2 LYS 58 far 0 100 0 - 7.1-14.3 HB2 ARG 56 - HD2 LYS 58 far 0 97 0 - 7.2-11.0 HB3 ARG 61 - HD3 LYS 58 far 0 100 0 - 8.7-15.0 Violated in 1 structures by 0.00 A. Peak 2887 from cnoeabs.peaks (1.36, 1.54, 29.10 ppm; 2.75 A): 2 out of 4 assignments used, quality = 1.00: * HG2 LYS 58 + HD3 LYS 58 OK 97 100 100 97 2.2-3.0 3.0=81, 1.8/2870=32...(11) HG2 LYS 58 + HD2 LYS 58 OK 97 100 100 97 2.3-3.0 3.0=81, 1.8/2870=32...(11) HD3 LYS 27 - HD2 LYS 58 far 0 68 0 - 9.2-15.4 HD3 LYS 27 - HD3 LYS 58 far 0 68 0 - 9.4-16.2 Violated in 0 structures by 0.00 A. Peak 2888 from cnoeabs.peaks (1.45, 1.54, 29.10 ppm; 2.92 A): 2 out of 12 assignments used, quality = 1.00: * HG3 LYS 58 + HD3 LYS 58 OK 100 100 100 100 2.3-3.0 3.0=97, 2869/1.8=36...(12) HG3 LYS 58 + HD2 LYS 58 OK 100 100 100 100 2.3-3.0 3.0=97, 2869/1.8=36...(12) HG3 LYS 60 - HD2 LYS 58 far 7 65 10 - 2.6-14.3 HG3 LYS 60 - HD3 LYS 58 far 7 65 10 - 2.9-13.1 HG3 LYS 62 - HD2 LYS 58 far 4 81 5 - 3.6-18.6 HG2 LYS 60 - HD3 LYS 58 far 3 63 5 - 3.1-13.0 HG2 LYS 60 - HD2 LYS 58 far 3 63 5 - 3.5-13.6 HG3 LYS 62 - HD3 LYS 58 far 0 81 0 - 4.8-19.4 HG2 LYS 62 - HD2 LYS 58 far 0 81 0 - 5.1-16.9 HG2 LYS 62 - HD3 LYS 58 far 0 81 0 - 6.4-17.8 HG3 ARG 56 - HD2 LYS 58 far 0 100 0 - 6.6-12.0 HG3 ARG 56 - HD3 LYS 58 far 0 100 0 - 7.4-12.2 Violated in 0 structures by 0.00 A. 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 6 assignments used, quality = 1.00: HE3 LYS 58 + HD2 LYS 58 OK 100 100 100 100 2.3-3.0 3.0=100 * HE2 LYS 58 + HD3 LYS 58 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 58 + HD2 LYS 58 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 58 + HD3 LYS 58 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 ARG 56 - HD2 LYS 58 far 0 65 0 - 8.9-12.5 HD3 ARG 56 - HD3 LYS 58 far 0 65 0 - 9.2-13.0 Violated in 0 structures by 0.00 A. Peak 2892 from cnoeabs.peaks (2.87, 1.54, 29.10 ppm; 3.26 A): 4 out of 6 assignments used, quality = 1.00: HE3 LYS 58 + HD2 LYS 58 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 58 + HD3 LYS 58 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 58 + HD2 LYS 58 OK 100 100 100 100 2.4-3.0 3.0=100 * HE3 LYS 58 + HD3 LYS 58 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 ARG 56 - HD2 LYS 58 far 0 65 0 - 8.9-12.5 HD3 ARG 56 - HD3 LYS 58 far 0 65 0 - 9.2-13.0 Violated in 0 structures by 0.00 A. Peak 2897 from cnoeabs.peaks (1.36, 2.87, 41.78 ppm; 4.24 A): 2 out of 3 assignments used, quality = 1.00: HG2 LYS 58 + HE3 LYS 58 OK 100 100 100 100 2.1-4.2 3.9=100 * HG2 LYS 58 + HE2 LYS 58 OK 100 100 100 100 2.2-4.2 3.9=100 HD3 LYS 27 - HE2 LYS 58 far 0 68 0 - 9.6-17.3 Violated in 0 structures by 0.00 A. Peak 2898 from cnoeabs.peaks (1.45, 2.87, 41.78 ppm; 4.25 A): 2 out of 12 assignments used, quality = 1.00: HG3 LYS 58 + HE3 LYS 58 OK 100 100 100 100 2.1-4.1 3.9=100 * HG3 LYS 58 + HE2 LYS 58 OK 100 100 100 100 2.1-3.9 3.9=100 HG3 LYS 62 - HE3 LYS 58 far 12 81 15 - 5.0-20.2 HG3 LYS 62 - HE2 LYS 58 far 8 81 10 - 3.4-18.7 HG2 LYS 62 - HE2 LYS 58 far 8 81 10 - 4.5-17.0 HG3 LYS 60 - HE2 LYS 58 far 7 65 10 - 5.0-13.8 HG2 LYS 60 - HE3 LYS 58 far 6 63 10 - 4.9-14.5 HG2 LYS 60 - HE2 LYS 58 far 6 63 10 - 5.4-13.5 HG3 LYS 60 - HE3 LYS 58 far 3 65 5 - 4.9-14.6 HG2 LYS 62 - HE3 LYS 58 far 0 81 0 - 6.0-18.5 HG3 ARG 56 - HE2 LYS 58 far 0 100 0 - 7.8-13.3 HG3 ARG 56 - HE3 LYS 58 far 0 100 0 - 8.1-13.1 Violated in 0 structures by 0.00 A. Peak 2899 from cnoeabs.peaks (1.54, 2.87, 41.78 ppm; 3.45 A): 4 out of 4 assignments used, quality = 1.00: HD2 LYS 58 + HE3 LYS 58 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 58 + HE2 LYS 58 OK 100 100 100 100 2.3-3.0 3.0=100 * HD2 LYS 58 + HE2 LYS 58 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 58 + HE3 LYS 58 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2900 from cnoeabs.peaks (1.54, 2.87, 41.78 ppm; 3.45 A): 4 out of 4 assignments used, quality = 1.00: HD2 LYS 58 + HE3 LYS 58 OK 100 100 100 100 2.3-3.0 3.0=100 * HD3 LYS 58 + HE2 LYS 58 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 58 + HE2 LYS 58 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 58 + HE3 LYS 58 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HG2 LYS 58 + HE3 LYS 58 OK 100 100 100 100 2.1-4.2 3.9=100 HG2 LYS 58 + HE2 LYS 58 OK 100 100 100 100 2.2-4.2 3.9=100 HD3 LYS 27 - HE2 LYS 58 far 0 68 0 - 9.6-17.3 Violated in 0 structures by 0.00 A. Peak 2908 from cnoeabs.peaks (1.45, 2.87, 41.78 ppm; 4.25 A): 2 out of 12 assignments used, quality = 1.00: * HG3 LYS 58 + HE3 LYS 58 OK 100 100 100 100 2.1-4.1 3.9=100 HG3 LYS 58 + HE2 LYS 58 OK 100 100 100 100 2.1-3.9 3.9=100 HG3 LYS 62 - HE3 LYS 58 far 12 81 15 - 5.0-20.2 HG3 LYS 62 - HE2 LYS 58 far 8 81 10 - 3.4-18.7 HG2 LYS 62 - HE2 LYS 58 far 8 81 10 - 4.5-17.0 HG3 LYS 60 - HE2 LYS 58 far 7 65 10 - 5.0-13.8 HG2 LYS 60 - HE3 LYS 58 far 6 63 10 - 4.9-14.5 HG2 LYS 60 - HE2 LYS 58 far 6 63 10 - 5.4-13.5 HG3 LYS 60 - HE3 LYS 58 far 3 65 5 - 4.9-14.6 HG2 LYS 62 - HE3 LYS 58 far 0 81 0 - 6.0-18.5 HG3 ARG 56 - HE2 LYS 58 far 0 100 0 - 7.8-13.3 HG3 ARG 56 - HE3 LYS 58 far 0 100 0 - 8.1-13.1 Violated in 0 structures by 0.00 A. Peak 2909 from cnoeabs.peaks (1.54, 2.87, 41.78 ppm; 3.45 A): 4 out of 4 assignments used, quality = 1.00: * HD2 LYS 58 + HE3 LYS 58 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 58 + HE2 LYS 58 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 58 + HE2 LYS 58 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 58 + HE3 LYS 58 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2910 from cnoeabs.peaks (1.54, 2.87, 41.78 ppm; 3.45 A): 4 out of 4 assignments used, quality = 1.00: HD2 LYS 58 + HE3 LYS 58 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 58 + HE2 LYS 58 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 58 + HE2 LYS 58 OK 100 100 100 100 2.4-3.0 3.0=100 * HD3 LYS 58 + HE3 LYS 58 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * H THR 59 + HA THR 59 OK 100 100 100 100 2.3-2.9 3.0=100 H ARG 56 - HA THR 59 poor 16 78 20 - 5.5-7.4 QD PHE 52 - HA THR 59 far 0 78 0 - 8.7-11.9 Violated in 0 structures by 0.00 A. 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 1 assignment used, quality = 0.97: * QG2 THR 59 + HA THR 59 OK 97 100 100 97 2.0-3.2 3.2=91, 797/3.0=41...(8) Violated in 6 structures by 0.02 A. Peak 2917 from cnoeabs.peaks (7.72, 4.28, 69.66 ppm; 4.14 A): 1 out of 3 assignments used, quality = 1.00: * H THR 59 + HB THR 59 OK 100 100 100 100 2.2-4.0 4.0=100 H ARG 56 - HB THR 59 far 8 78 10 - 4.7-8.8 QD PHE 52 - HB THR 59 far 0 78 0 - 9.2-12.8 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 2921 from cnoeabs.peaks (7.72, 1.29, 21.73 ppm; 4.25 A): 2 out of 4 assignments used, quality = 1.00: * H THR 59 + QG2 THR 59 OK 100 100 100 100 2.5-3.9 4.0=100 H ARG 56 + QG2 THR 59 OK 20 78 30 85 3.7-7.8 3.0/4838=62, ~4840=35...(5) QD PHE 52 - QG2 THR 59 far 0 78 0 - 6.8-11.2 QD PHE 52 - QG2 THR 44 far 0 64 0 - 9.7-10.8 Violated in 0 structures by 0.00 A. Peak 2922 from cnoeabs.peaks (4.26, 1.29, 21.73 ppm; 2.96 A): 2 out of 5 assignments used, quality = 0.99: * HA THR 59 + QG2 THR 59 OK 94 100 100 94 2.0-3.2 2916=87, 3.0/797=37...(7) HB THR 59 + QG2 THR 59 OK 81 81 100 100 2.1-2.1 2.1=100 HA LYS 60 - QG2 THR 59 poor 12 100 30 40 3.4-5.7 4881=19, ~4681=10...(6) HA ARG 61 - QG2 THR 59 far 9 87 10 - 4.0-7.8 HA LYS 62 - QG2 THR 59 far 5 100 5 - 3.5-10.2 Violated in 0 structures by 0.00 A. Peak 2923 from cnoeabs.peaks (4.28, 1.29, 21.73 ppm; 2.80 A): 2 out of 4 assignments used, quality = 1.00: * HB THR 59 + QG2 THR 59 OK 100 100 100 100 2.1-2.1 2.1=100 HA THR 59 + QG2 THR 59 OK 67 81 100 83 2.0-3.2 3.2=66, 3.0/797=32...(6) HA LYS 60 - QG2 THR 59 poor 17 87 20 - 3.4-5.7 HA LYS 62 - QG2 THR 59 far 4 76 5 - 3.5-10.2 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * H LYS 60 + HA LYS 60 OK 100 100 100 100 2.8-2.9 3.0=100 H LYS 60 - HA LYS 62 far 0 98 0 - 6.1-8.8 Violated in 0 structures by 0.00 A. 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 8 assignments used, quality = 1.00: * HB2 LYS 60 + HA LYS 60 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 LYS 62 + HA LYS 62 OK 96 96 100 100 2.3-3.0 3.0=100 HB2 ARG 61 - HA LYS 62 poor 14 69 20 - 4.3-5.8 HB2 ARG 61 - HA LYS 60 far 11 73 15 - 4.4-6.6 HB2 LYS 60 - HA LYS 62 far 0 98 0 - 5.0-9.0 HB2 LYS 62 - HA LYS 60 far 0 99 0 - 5.8-9.5 HG2 ARG 21 - HA LYS 62 far 0 69 0 - 8.4-25.1 HB3 MET 11 - HA LYS 62 far 0 98 0 - 9.9-30.3 Violated in 0 structures by 0.00 A. Peak 2928 from cnoeabs.peaks (1.78, 4.26, 56.50 ppm; 3.31 A): 2 out of 6 assignments used, quality = 1.00: * HB3 LYS 60 + HA LYS 60 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 62 + HA LYS 62 OK 98 98 100 100 2.4-3.0 3.0=100 HB2 LYS 58 - HA LYS 60 poor 15 73 20 - 4.3-8.3 HB2 LYS 58 - HA LYS 62 far 0 69 0 - 4.9-14.3 HB3 LYS 62 - HA LYS 60 far 0 100 0 - 5.0-8.8 HB3 LYS 60 - HA LYS 62 far 0 98 0 - 5.1-8.9 Violated in 0 structures by 0.00 A. Peak 2929 from cnoeabs.peaks (1.43, 4.26, 56.50 ppm; 3.79 A): 4 out of 14 assignments used, quality = 1.00: * HG2 LYS 60 + HA LYS 60 OK 99 100 100 99 2.3-3.9 3.9=95, 3.0/3073=27...(21) HG3 LYS 60 + HA LYS 60 OK 99 100 100 99 2.1-4.2 3.9=95, 3.0/3073=27...(21) HG2 LYS 62 + HA LYS 62 OK 96 96 100 100 2.1-3.9 3.8=96, 4.8/334=38...(18) HG3 LYS 62 + HA LYS 62 OK 96 96 100 100 2.2-4.2 3.8=96, 4.8/334=38...(18) HG3 LYS 60 - HA LYS 62 far 10 98 10 - 3.6-10.0 HG2 LYS 60 - HA LYS 62 poor 7 98 25 30 4.8-9.7 4.8/3600=10, ~3091=5...(9) HG3 ARG 56 - HA LYS 62 far 6 61 10 - 5.0-14.9 HG3 ARG 56 - HA LYS 60 far 3 65 5 - 4.7-11.7 HG2 LYS 62 - HA LYS 60 far 0 99 0 - 5.4-10.4 HG3 LYS 62 - HA LYS 60 far 0 99 0 - 5.5-9.7 HB2 LYS 27 - HA LYS 60 far 0 99 0 - 5.7-14.3 HG3 LYS 58 - HA LYS 62 far 0 59 0 - 6.1-15.8 HG3 LYS 58 - HA LYS 60 far 0 63 0 - 6.6-9.8 HB2 LYS 27 - HA LYS 62 far 0 95 0 - 6.9-17.7 Violated in 0 structures by 0.00 A. Peak 2930 from cnoeabs.peaks (1.43, 4.26, 56.50 ppm; 3.79 A): 4 out of 14 assignments used, quality = 1.00: * HG3 LYS 60 + HA LYS 60 OK 99 100 100 99 2.1-4.2 3.9=95, 3.0/3073=27...(21) HG2 LYS 60 + HA LYS 60 OK 99 100 100 99 2.3-3.9 3.9=95, 3.0/3073=27...(21) HG2 LYS 62 + HA LYS 62 OK 96 96 100 100 2.1-3.9 3.8=96, 4.8/334=38...(18) HG3 LYS 62 + HA LYS 62 OK 96 96 100 100 2.2-4.2 3.8=96, 4.8/334=38...(18) HG3 LYS 60 - HA LYS 62 far 10 98 10 - 3.6-10.0 HG2 LYS 60 - HA LYS 62 poor 7 98 25 30 4.8-9.7 4.8/3600=10, ~3091=5...(9) HG3 ARG 56 - HA LYS 62 far 6 64 10 - 5.0-14.9 HG3 ARG 56 - HA LYS 60 far 3 68 5 - 4.7-11.7 HG2 LYS 62 - HA LYS 60 far 0 99 0 - 5.4-10.4 HG3 LYS 62 - HA LYS 60 far 0 99 0 - 5.5-9.7 HB2 LYS 27 - HA LYS 60 far 0 98 0 - 5.7-14.3 HG3 LYS 58 - HA LYS 62 far 0 61 0 - 6.1-15.8 HG3 LYS 58 - HA LYS 60 far 0 65 0 - 6.6-9.8 HB2 LYS 27 - HA LYS 62 far 0 95 0 - 6.9-17.7 Violated in 0 structures by 0.00 A. Peak 2931 from cnoeabs.peaks (1.67, 4.26, 56.50 ppm; 3.85 A): 4 out of 10 assignments used, quality = 1.00: HD3 LYS 62 + HA LYS 62 OK 94 98 100 97 2.1-4.8 5.0=46, 3.4/3073=25...(26) * HD2 LYS 60 + HA LYS 60 OK 92 100 95 97 2.1-5.5 5.2=40, 3.7/3073=22...(29) HD3 LYS 60 + HA LYS 60 OK 87 100 90 97 2.0-5.5 5.2=40, 3.7/3073=22...(29) HD2 LYS 62 + HA LYS 62 OK 76 98 80 97 2.0-5.5 5.0=46, 3.4/3073=25...(26) HB2 LEU 64 - HA LYS 62 far 9 93 10 - 4.4-9.3 HD2 LYS 62 - HA LYS 60 far 5 100 5 - 3.4-11.3 HD3 LYS 62 - HA LYS 60 far 5 100 5 - 4.7-11.2 HD2 LYS 60 - HA LYS 62 far 5 98 5 - 4.2-11.1 HD3 LYS 60 - HA LYS 62 far 5 98 5 - 4.8-10.3 HB2 LEU 64 - HA LYS 60 far 0 97 0 - 8.5-14.6 Violated in 0 structures by 0.00 A. Peak 2932 from cnoeabs.peaks (1.67, 4.26, 56.50 ppm; 3.98 A): 4 out of 10 assignments used, quality = 1.00: HD3 LYS 62 + HA LYS 62 OK 95 98 100 98 2.1-4.8 5.0=51, 3.4/3073=27...(26) * HD3 LYS 60 + HA LYS 60 OK 93 100 95 98 2.0-5.5 5.2=45, 3.7/3073=24...(29) HD2 LYS 60 + HA LYS 60 OK 93 100 95 98 2.1-5.5 5.2=45, 3.7/3073=24...(29) HD2 LYS 62 + HA LYS 62 OK 86 98 90 98 2.0-5.5 5.0=51, 3.4/3073=27...(26) HB2 LEU 64 - HA LYS 62 far 14 95 15 - 4.4-9.3 HD2 LYS 62 - HA LYS 60 far 5 100 5 - 3.4-11.3 HD3 LYS 62 - HA LYS 60 far 5 100 5 - 4.7-11.2 HD3 LYS 60 - HA LYS 62 far 5 98 5 - 4.8-10.3 HD2 LYS 60 - HA LYS 62 far 5 98 5 - 4.2-11.1 HB2 LEU 64 - HA LYS 60 far 0 98 0 - 8.5-14.6 Violated in 0 structures by 0.00 A. Peak 2935 from cnoeabs.peaks (7.98, 1.83, 32.76 ppm; 4.55 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 60 + HB2 LYS 60 OK 100 100 100 100 2.2-3.7 3.8=100 H LYS 60 - HB2 LYS 62 poor 19 96 20 - 4.9-11.0 H ILE 17 - HB2 LYS 62 far 0 59 0 - 9.3-29.0 Violated in 0 structures by 0.00 A. Peak 2936 from cnoeabs.peaks (4.26, 1.83, 32.76 ppm; 3.34 A): 3 out of 10 assignments used, quality = 1.00: * HA LYS 60 + HB2 LYS 60 OK 100 100 100 100 2.4-3.0 3.0=100 HA LYS 62 + HB2 LYS 62 OK 95 95 100 100 2.3-3.0 3.0=100 HA THR 59 + HB2 LYS 60 OK 24 100 40 60 4.3-6.4 4681/1.8=39, 312/3.8=14...(8) HA ARG 61 - HB2 LYS 62 poor 18 74 25 - 4.1-6.5 HB THR 59 - HB2 LYS 60 poor 17 87 20 - 3.8-7.4 HA ARG 61 - HB2 LYS 60 poor 17 81 35 61 4.2-6.0 3.0/317=24, ~318=22...(10) HA THR 59 - HB2 LYS 62 far 5 96 5 - 3.1-13.0 HB THR 59 - HB2 LYS 62 far 0 80 0 - 5.0-13.1 HA LYS 62 - HB2 LYS 60 far 0 100 0 - 5.0-9.0 HA LYS 60 - HB2 LYS 62 far 0 96 0 - 5.8-9.5 Violated in 0 structures by 0.00 A. Peak 2938 from cnoeabs.peaks (1.78, 1.83, 32.76 ppm; 2.40 A): 2 out of 6 assignments used, quality = 1.00: * HB3 LYS 60 + HB2 LYS 60 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 62 + HB2 LYS 62 OK 96 96 100 100 1.8-1.8 1.8=100 HB2 LYS 58 - HB2 LYS 60 poor 18 73 25 - 2.8-10.1 HB3 LYS 62 - HB2 LYS 60 far 5 100 5 - 3.1-10.4 HB2 LYS 58 - HB2 LYS 62 far 0 67 0 - 4.0-16.3 HB3 LYS 60 - HB2 LYS 62 far 0 96 0 - 4.9-9.4 Violated in 0 structures by 0.00 A. Peak 2939 from cnoeabs.peaks (1.43, 1.83, 32.76 ppm; 3.33 A): 4 out of 14 assignments used, quality = 1.00: * HG2 LYS 60 + HB2 LYS 60 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 60 + HB2 LYS 60 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 62 + HB2 LYS 62 OK 94 94 100 100 2.2-3.0 2.9=100 HG2 LYS 62 + HB2 LYS 62 OK 94 94 100 100 2.3-3.0 2.9=100 HG2 LYS 62 - HB2 LYS 60 far 5 99 5 - 4.5-11.6 HG2 LYS 60 - HB2 LYS 62 far 5 96 5 - 3.8-10.2 HG3 LYS 60 - HB2 LYS 62 far 5 96 5 - 4.1-10.6 HG3 ARG 56 - HB2 LYS 60 far 3 65 5 - 4.4-11.7 HG3 LYS 58 - HB2 LYS 60 far 0 63 0 - 4.9-12.0 HG3 LYS 62 - HB2 LYS 60 far 0 99 0 - 5.0-10.8 HG3 LYS 58 - HB2 LYS 62 far 0 57 0 - 5.2-17.6 HB2 LYS 27 - HB2 LYS 60 far 0 99 0 - 5.5-16.1 HG3 ARG 56 - HB2 LYS 62 far 0 59 0 - 6.5-16.7 HB2 LYS 27 - HB2 LYS 62 far 0 93 0 - 9.3-18.2 Violated in 0 structures by 0.00 A. Peak 2940 from cnoeabs.peaks (1.43, 1.83, 32.76 ppm; 3.33 A): 4 out of 14 assignments used, quality = 1.00: * HG3 LYS 60 + HB2 LYS 60 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 60 + HB2 LYS 60 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 62 + HB2 LYS 62 OK 95 95 100 100 2.2-3.0 2.9=100 HG2 LYS 62 + HB2 LYS 62 OK 95 95 100 100 2.3-3.0 2.9=100 HG2 LYS 62 - HB2 LYS 60 far 5 99 5 - 4.5-11.6 HG2 LYS 60 - HB2 LYS 62 far 5 96 5 - 3.8-10.2 HG3 LYS 60 - HB2 LYS 62 far 5 96 5 - 4.1-10.6 HG3 ARG 56 - HB2 LYS 60 far 3 68 5 - 4.4-11.7 HG3 LYS 58 - HB2 LYS 60 far 0 65 0 - 4.9-12.0 HG3 LYS 62 - HB2 LYS 60 far 0 99 0 - 5.0-10.8 HG3 LYS 58 - HB2 LYS 62 far 0 59 0 - 5.2-17.6 HB2 LYS 27 - HB2 LYS 60 far 0 98 0 - 5.5-16.1 HG3 ARG 56 - HB2 LYS 62 far 0 62 0 - 6.5-16.7 HB2 LYS 27 - HB2 LYS 62 far 0 93 0 - 9.3-18.2 Violated in 0 structures by 0.00 A. Peak 2941 from cnoeabs.peaks (1.67, 1.83, 32.76 ppm; 3.71 A): 4 out of 10 assignments used, quality = 1.00: * HD2 LYS 60 + HB2 LYS 60 OK 100 100 100 100 2.2-4.2 3.7=100 HD3 LYS 60 + HB2 LYS 60 OK 100 100 100 100 2.2-4.2 3.7=100 HD2 LYS 62 + HB2 LYS 62 OK 96 96 100 100 2.1-3.8 3.4=100 HD3 LYS 62 + HB2 LYS 62 OK 96 96 100 100 2.2-4.2 3.4=100 HB2 LEU 64 - HB2 LYS 62 far 9 91 10 - 2.9-9.3 HD2 LYS 62 - HB2 LYS 60 far 5 100 5 - 4.9-11.9 HD3 LYS 62 - HB2 LYS 60 far 0 100 0 - 5.3-12.0 HD2 LYS 60 - HB2 LYS 62 far 0 96 0 - 5.5-11.3 HB2 LEU 64 - HB2 LYS 60 far 0 97 0 - 6.3-16.1 HD3 LYS 60 - HB2 LYS 62 far 0 96 0 - 6.4-11.5 Violated in 0 structures by 0.00 A. Peak 2942 from cnoeabs.peaks (1.67, 1.83, 32.76 ppm; 3.64 A): 4 out of 10 assignments used, quality = 1.00: * HD3 LYS 60 + HB2 LYS 60 OK 100 100 100 100 2.2-4.2 3.7=95, 2978/1.8=23...(57) HD2 LYS 60 + HB2 LYS 60 OK 100 100 100 100 2.2-4.2 3.7=95, 2978/1.8=25...(57) HD2 LYS 62 + HB2 LYS 62 OK 96 96 100 100 2.1-3.8 3.4=100 HD3 LYS 62 + HB2 LYS 62 OK 96 96 100 100 2.2-4.2 3.4=100 HB2 LEU 64 - HB2 LYS 62 far 9 93 10 - 2.9-9.3 HD2 LYS 62 - HB2 LYS 60 far 5 100 5 - 4.9-11.9 HD3 LYS 62 - HB2 LYS 60 far 0 100 0 - 5.3-12.0 HD2 LYS 60 - HB2 LYS 62 far 0 96 0 - 5.5-11.3 HB2 LEU 64 - HB2 LYS 60 far 0 98 0 - 6.3-16.1 HD3 LYS 60 - HB2 LYS 62 far 0 96 0 - 6.4-11.5 Violated in 0 structures by 0.00 A. Peak 2945 from cnoeabs.peaks (7.98, 1.78, 32.76 ppm; 4.24 A): 1 out of 4 assignments used, quality = 1.00: * H LYS 60 + HB3 LYS 60 OK 100 100 100 100 2.3-3.8 3.8=100 H LYS 60 - HB3 LYS 62 far 0 99 0 - 5.9-10.2 H ILE 17 - HB3 LYS 62 far 0 64 0 - 8.2-28.3 H LEU 19 - HB3 LYS 62 far 0 99 0 - 9.5-26.5 Violated in 0 structures by 0.00 A. Peak 2946 from cnoeabs.peaks (4.26, 1.78, 32.76 ppm; 3.24 A): 3 out of 10 assignments used, quality = 1.00: * HA LYS 60 + HB3 LYS 60 OK 100 100 100 100 2.3-3.0 3.0=100 HA LYS 62 + HB3 LYS 62 OK 99 99 100 100 2.4-3.0 3.0=100 HA ARG 61 + HB3 LYS 60 OK 30 81 55 67 4.1-5.9 3.0/318=35, ~317=13...(12) HA ARG 61 - HB3 LYS 62 poor 18 79 40 58 4.4-6.6 3.6/819=33, 3.0/3602=9...(11) HA THR 59 - HB3 LYS 60 far 15 100 15 - 4.6-6.2 HB THR 59 - HB3 LYS 60 far 9 87 10 - 4.1-7.5 HA THR 59 - HB3 LYS 62 far 5 99 5 - 4.6-12.2 HA LYS 60 - HB3 LYS 62 far 0 99 0 - 5.0-8.8 HA LYS 62 - HB3 LYS 60 far 0 100 0 - 5.1-8.9 HB THR 59 - HB3 LYS 62 far 0 85 0 - 6.0-12.4 Violated in 0 structures by 0.00 A. Peak 2947 from cnoeabs.peaks (1.83, 1.78, 32.76 ppm; 2.40 A): 2 out of 8 assignments used, quality = 1.00: * HB2 LYS 60 + HB3 LYS 60 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LYS 62 + HB3 LYS 62 OK 98 98 100 100 1.8-1.8 1.8=100 HB2 ARG 61 - HB3 LYS 62 far 7 71 10 - 3.8-6.9 HB2 LYS 60 - HB3 LYS 62 far 5 99 5 - 3.1-10.4 HB2 ARG 61 - HB3 LYS 60 far 4 73 5 - 3.7-7.5 HB2 LYS 62 - HB3 LYS 60 far 0 99 0 - 4.9-9.4 HB3 MET 11 - HB3 LYS 62 far 0 99 0 - 8.0-31.1 HG2 ARG 21 - HB3 LYS 62 far 0 71 0 - 9.8-26.8 Violated in 0 structures by 0.00 A. 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 14 assignments used, quality = 1.00: * HG2 LYS 60 + HB3 LYS 60 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 60 + HB3 LYS 60 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 62 + HB3 LYS 62 OK 98 98 100 100 2.3-3.0 2.9=100 HG3 LYS 62 + HB3 LYS 62 OK 98 98 100 100 2.3-3.0 2.9=100 HG2 LYS 62 - HB3 LYS 60 far 15 99 15 - 4.0-10.1 HG2 LYS 60 - HB3 LYS 62 far 5 99 5 - 2.5-11.3 HG3 LYS 60 - HB3 LYS 62 far 5 99 5 - 2.8-10.2 HG3 LYS 62 - HB3 LYS 60 far 5 99 5 - 3.9-9.7 HG3 LYS 58 - HB3 LYS 60 far 0 63 0 - 5.5-11.4 HG3 LYS 58 - HB3 LYS 62 far 0 61 0 - 5.7-16.4 HG3 ARG 56 - HB3 LYS 60 far 0 65 0 - 5.8-11.7 HG3 ARG 56 - HB3 LYS 62 far 0 64 0 - 6.3-16.4 HB2 LYS 27 - HB3 LYS 60 far 0 99 0 - 6.5-15.1 HB2 LYS 27 - HB3 LYS 62 far 0 97 0 - 8.9-17.7 Violated in 0 structures by 0.00 A. Peak 2950 from cnoeabs.peaks (1.43, 1.78, 32.76 ppm; 3.18 A): 4 out of 14 assignments used, quality = 1.00: * HG3 LYS 60 + HB3 LYS 60 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 60 + HB3 LYS 60 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 62 + HB3 LYS 62 OK 98 98 100 100 2.3-3.0 2.9=100 HG3 LYS 62 + HB3 LYS 62 OK 98 98 100 100 2.3-3.0 2.9=100 HG2 LYS 62 - HB3 LYS 60 far 15 99 15 - 4.0-10.1 HG2 LYS 60 - HB3 LYS 62 far 5 99 5 - 2.5-11.3 HG3 LYS 60 - HB3 LYS 62 far 5 99 5 - 2.8-10.2 HG3 LYS 62 - HB3 LYS 60 far 5 99 5 - 3.9-9.7 HG3 LYS 58 - HB3 LYS 60 far 0 65 0 - 5.5-11.4 HG3 LYS 58 - HB3 LYS 62 far 0 64 0 - 5.7-16.4 HG3 ARG 56 - HB3 LYS 60 far 0 68 0 - 5.8-11.7 HG3 ARG 56 - HB3 LYS 62 far 0 66 0 - 6.3-16.4 HB2 LYS 27 - HB3 LYS 60 far 0 98 0 - 6.5-15.1 HB2 LYS 27 - HB3 LYS 62 far 0 97 0 - 8.9-17.7 Violated in 0 structures by 0.00 A. Peak 2951 from cnoeabs.peaks (1.67, 1.78, 32.76 ppm; 3.26 A): 4 out of 10 assignments used, quality = 1.00: HD2 LYS 62 + HB3 LYS 62 OK 98 99 100 99 2.1-4.2 3.4=85, 1.8/3134=22...(59) HD3 LYS 60 + HB3 LYS 60 OK 98 100 100 98 2.1-4.2 3.7=69, 1.8/2978=23...(53) * HD2 LYS 60 + HB3 LYS 60 OK 98 100 100 98 2.1-4.0 3.7=69, 1.8/2978=21...(53) HD3 LYS 62 + HB3 LYS 62 OK 98 99 100 99 2.3-4.2 3.4=85, 1.8/3134=22...(59) HD3 LYS 62 - HB3 LYS 60 far 5 100 5 - 3.9-11.6 HD2 LYS 60 - HB3 LYS 62 far 5 99 5 - 4.6-11.0 HB2 LEU 64 - HB3 LYS 62 far 5 95 5 - 3.6-10.5 HD3 LYS 60 - HB3 LYS 62 far 0 99 0 - 5.2-11.5 HD2 LYS 62 - HB3 LYS 60 far 0 100 0 - 5.7-10.7 HB2 LEU 64 - HB3 LYS 60 far 0 97 0 - 7.1-15.0 Violated in 0 structures by 0.00 A. Peak 2952 from cnoeabs.peaks (1.67, 1.78, 32.76 ppm; 3.68 A): 4 out of 10 assignments used, quality = 1.00: * HD3 LYS 60 + HB3 LYS 60 OK 100 100 100 100 2.1-4.2 3.7=98, 1.8/2978=25...(53) HD2 LYS 60 + HB3 LYS 60 OK 100 100 100 100 2.1-4.0 3.7=98, 1.8/2978=23...(53) HD2 LYS 62 + HB3 LYS 62 OK 99 99 100 100 2.1-4.2 3.4=100 HD3 LYS 62 + HB3 LYS 62 OK 99 99 100 100 2.3-4.2 3.4=100 HB2 LEU 64 - HB3 LYS 62 far 10 97 10 - 3.6-10.5 HD3 LYS 62 - HB3 LYS 60 far 5 100 5 - 3.9-11.6 HD2 LYS 60 - HB3 LYS 62 far 5 99 5 - 4.6-11.0 HD3 LYS 60 - HB3 LYS 62 far 0 99 0 - 5.2-11.5 HD2 LYS 62 - HB3 LYS 60 far 0 100 0 - 5.7-10.7 HB2 LEU 64 - HB3 LYS 60 far 0 98 0 - 7.1-15.0 Violated in 0 structures by 0.00 A. Peak 2955 from cnoeabs.peaks (7.98, 1.43, 24.66 ppm; 5.08 A): 2 out of 9 assignments used, quality = 1.00: * H LYS 60 + HG2 LYS 60 OK 100 100 100 100 1.9-5.2 4.9=100 H LYS 60 + HG3 LYS 60 OK 100 100 100 100 2.2-4.7 4.9=100 H HIS 36 - HG2 LYS 39 far 9 91 10 - 6.5-7.8 H LYS 60 - HG2 LYS 62 far 8 79 10 - 5.0-11.9 H LYS 60 - HG3 LYS 62 far 8 79 10 - 5.9-11.2 H ILE 17 - HG2 LYS 62 far 0 45 0 - 7.3-26.5 H ILE 17 - HG3 LYS 62 far 0 45 0 - 8.9-28.2 H LEU 19 - HG2 LYS 62 far 0 79 0 - 9.4-25.2 H LEU 19 - HG3 LYS 62 far 0 79 0 - 9.8-26.9 Violated in 0 structures by 0.00 A. Peak 2956 from cnoeabs.peaks (4.26, 1.43, 24.66 ppm; 3.91 A): 6 out of 20 assignments used, quality = 1.00: * HA LYS 60 + HG2 LYS 60 OK 100 100 100 100 2.3-3.9 3.9=100 HA LYS 60 + HG3 LYS 60 OK 100 100 100 100 2.1-4.2 3.9=100 HA LYS 62 + HG2 LYS 62 OK 78 78 100 100 2.1-3.9 3.8=100 HA LYS 62 + HG3 LYS 62 OK 78 78 100 100 2.2-4.2 3.8=100 HA ARG 61 + HG3 LYS 60 OK 24 80 55 55 4.1-6.9 ~318=22, ~317=14...(11) HA THR 59 + HG2 LYS 60 OK 22 100 35 63 3.9-7.4 4681/3.0=48, 3.6/802=19...(5) HA ARG 61 - HG2 LYS 60 poor 17 81 40 54 3.2-6.6 ~318=22, ~317=14...(10) HA THR 59 - HG3 LYS 60 poor 16 100 25 63 4.6-6.9 4681/3.0=48, 3.6/802=19...(5) HA ARG 61 - HG3 LYS 62 poor 14 57 25 - 3.9-7.0 HB THR 59 - HG2 LYS 60 poor 12 87 35 39 4.4-8.3 ~4681=23, 4.7/802=15...(4) HA ARG 61 - HG2 LYS 62 poor 11 57 45 41 3.7-7.8 3.6/820=18, ~3602=8...(7) HA LYS 62 - HG3 LYS 60 far 10 100 10 - 3.6-10.0 HB THR 59 - HG3 LYS 60 far 9 87 10 - 3.8-8.3 HA LYS 62 - HG2 LYS 60 poor 8 100 25 32 4.8-9.7 3600/4.8=10, ~3091=6...(9) HA THR 59 - HG2 LYS 62 far 8 79 10 - 5.3-13.9 HA LYS 60 - HG2 LYS 62 far 4 79 5 - 5.4-10.4 HA THR 59 - HG3 LYS 62 far 4 79 5 - 4.7-13.0 HA LYS 60 - HG3 LYS 62 far 0 79 0 - 5.5-9.7 HB THR 59 - HG3 LYS 62 far 0 62 0 - 5.8-14.0 HB THR 59 - HG2 LYS 62 far 0 62 0 - 6.7-14.0 Violated in 0 structures by 0.00 A. Peak 2957 from cnoeabs.peaks (1.83, 1.43, 24.66 ppm; 3.61 A): 4 out of 18 assignments used, quality = 1.00: * HB2 LYS 60 + HG2 LYS 60 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LYS 60 + HG3 LYS 60 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LYS 62 + HG3 LYS 62 OK 77 77 100 100 2.2-3.0 2.9=100 HB2 LYS 62 + HG2 LYS 62 OK 77 77 100 100 2.3-3.0 2.9=100 HB2 ARG 61 - HG2 LYS 62 poor 15 51 30 - 2.7-8.4 HB2 LYS 60 - HG2 LYS 62 far 12 79 15 - 4.5-11.6 HB2 ARG 61 - HG3 LYS 62 poor 10 51 20 - 3.6-8.2 HB2 ARG 61 - HG2 LYS 60 poor 8 73 30 36 4.1-8.2 317/4.8=15, ~3092=3...(16) HB2 ARG 61 - HG3 LYS 60 far 7 73 10 - 2.6-8.4 HB2 LYS 62 - HG2 LYS 60 far 5 99 5 - 3.8-10.2 HB2 LYS 62 - HG3 LYS 60 far 5 99 5 - 4.1-10.6 HB2 LYS 60 - HG3 LYS 62 far 4 79 5 - 5.0-10.8 HG2 ARG 21 - HG3 LYS 62 far 0 51 0 - 7.3-28.0 HG2 ARG 21 - HG2 LYS 62 far 0 51 0 - 8.0-26.4 HB3 MET 11 - HG2 LYS 62 far 0 79 0 - 8.9-29.6 HB ILE 17 - HG3 LYS 62 far 0 79 0 - 9.1-29.6 HB ILE 17 - HG2 LYS 62 far 0 79 0 - 9.3-28.0 HG2 ARG 21 - HG3 LYS 60 far 0 73 0 - 10.0-21.0 Violated in 0 structures by 0.00 A. Peak 2958 from cnoeabs.peaks (1.78, 1.43, 24.66 ppm; 3.82 A): 4 out of 12 assignments used, quality = 1.00: * HB3 LYS 60 + HG2 LYS 60 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 60 + HG3 LYS 60 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 62 + HG2 LYS 62 OK 79 79 100 100 2.3-3.0 2.9=100 HB3 LYS 62 + HG3 LYS 62 OK 79 79 100 100 2.3-3.0 2.9=100 HB2 LYS 58 - HG2 LYS 60 poor 18 73 25 - 2.7-10.6 HB2 LYS 58 - HG3 LYS 60 poor 18 73 25 - 3.2-10.9 HB3 LYS 60 - HG2 LYS 62 far 12 79 15 - 4.0-10.1 HB2 LYS 58 - HG3 LYS 62 far 5 51 10 - 3.5-16.4 HB3 LYS 62 - HG2 LYS 60 far 5 100 5 - 2.5-11.3 HB3 LYS 62 - HG3 LYS 60 far 5 100 5 - 2.8-10.2 HB3 LYS 60 - HG3 LYS 62 far 4 79 5 - 3.9-9.7 HB2 LYS 58 - HG2 LYS 62 far 3 51 5 - 5.1-14.8 Violated in 0 structures by 0.00 A. 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 25 assignments used, quality = 1.00: * HD2 LYS 60 + HG2 LYS 60 OK 100 100 100 100 2.5-3.0 2.9=95, 2978/3.0=13...(62) HD2 LYS 60 + HG3 LYS 60 OK 99 100 100 100 2.3-3.0 2.9=95, 2978/3.0=13...(62) HD3 LYS 60 + HG2 LYS 60 OK 99 100 100 100 2.3-3.0 2.9=95, 2978/3.0=12...(62) HD3 LYS 60 + HG3 LYS 60 OK 99 100 100 100 2.5-3.0 2.9=95, 2978/3.0=12...(62) HD2 LYS 62 + HG3 LYS 62 OK 78 79 100 99 2.3-3.0 3.0=92, 3124/2.9=13...(49) HD2 LYS 62 + HG2 LYS 62 OK 78 79 100 99 2.5-3.0 3.0=92, 3124/2.9=13...(49) HD3 LYS 62 + HG2 LYS 62 OK 78 79 100 99 2.3-3.0 3.0=92, 3124/2.9=13...(49) HD3 LYS 62 + HG3 LYS 62 OK 78 79 100 99 2.5-3.0 3.0=92, 3124/2.9=13...(49) HD2 LYS 39 + HG2 LYS 39 OK 68 68 100 99 2.2-3.0 3.0=94, 2050/1.8=25...(33) HD3 LYS 39 + HG2 LYS 39 OK 68 68 100 99 2.7-3.0 3.0=94, 2050/1.8=25...(33) HD3 LYS 62 - HG2 LYS 60 far 5 100 5 - 3.9-11.5 HD3 LYS 62 - HG3 LYS 60 far 5 100 5 - 4.3-11.8 HB2 LEU 64 - HG2 LYS 62 far 4 73 5 - 4.2-11.5 HB2 LEU 64 - HG3 LYS 62 far 0 73 0 - 4.5-11.5 HD3 LYS 60 - HG2 LYS 62 far 0 79 0 - 4.6-12.8 HD3 LYS 42 - HG2 LYS 39 far 0 86 0 - 4.7-6.9 HD2 LYS 62 - HG3 LYS 60 far 0 100 0 - 5.1-12.6 HD2 LYS 62 - HG2 LYS 60 far 0 100 0 - 5.1-12.3 HD2 LYS 60 - HG2 LYS 62 far 0 79 0 - 5.4-12.1 HD2 LYS 60 - HG3 LYS 62 far 0 79 0 - 5.6-11.7 HD3 LYS 60 - HG3 LYS 62 far 0 79 0 - 5.7-12.5 HB2 LEU 37 - HG2 LYS 39 far 0 90 0 - 7.8-9.1 HB2 LEU 64 - HG3 LYS 60 far 0 96 0 - 8.3-16.8 HB2 LEU 64 - HG2 LYS 60 far 0 97 0 - 8.8-16.8 HG3 LYS 22 - HG2 LYS 39 far 0 92 0 - 9.8-13.0 Violated in 0 structures by 0.00 A. Peak 2962 from cnoeabs.peaks (1.67, 1.43, 24.66 ppm; 2.89 A): 10 out of 25 assignments used, quality = 1.00: * HD3 LYS 60 + HG2 LYS 60 OK 99 100 100 99 2.3-3.0 2.9=95, 2978/3.0=12...(62) HD3 LYS 60 + HG3 LYS 60 OK 99 100 100 99 2.5-3.0 2.9=95, 2978/3.0=12...(62) HD2 LYS 60 + HG2 LYS 60 OK 99 100 100 99 2.5-3.0 2.9=95, 2978/3.0=13...(62) HD2 LYS 60 + HG3 LYS 60 OK 99 100 100 99 2.3-3.0 2.9=95, 2978/3.0=13...(62) HD2 LYS 62 + HG3 LYS 62 OK 78 79 100 99 2.3-3.0 3.0=92, 3134/2.9=13...(49) HD2 LYS 62 + HG2 LYS 62 OK 78 79 100 99 2.5-3.0 3.0=92, 3134/2.9=13...(49) HD3 LYS 62 + HG2 LYS 62 OK 78 79 100 99 2.3-3.0 3.0=92, 3134/2.9=13...(49) HD3 LYS 62 + HG3 LYS 62 OK 78 79 100 99 2.5-3.0 3.0=92, 3134/2.9=13...(49) HD2 LYS 39 + HG2 LYS 39 OK 63 64 100 99 2.2-3.0 3.0=94, 2040/1.8=23...(33) HD3 LYS 39 + HG2 LYS 39 OK 63 64 100 99 2.7-3.0 3.0=94, 2040/1.8=23...(33) HD3 LYS 62 - HG2 LYS 60 far 5 100 5 - 3.9-11.5 HD3 LYS 62 - HG3 LYS 60 far 5 100 5 - 4.3-11.8 HB2 LEU 64 - HG2 LYS 62 far 4 75 5 - 4.2-11.5 HB2 LEU 64 - HG3 LYS 62 far 0 75 0 - 4.5-11.5 HD3 LYS 60 - HG2 LYS 62 far 0 79 0 - 4.6-12.8 HD3 LYS 42 - HG2 LYS 39 far 0 89 0 - 4.7-6.9 HD2 LYS 62 - HG3 LYS 60 far 0 100 0 - 5.1-12.6 HD2 LYS 62 - HG2 LYS 60 far 0 100 0 - 5.1-12.3 HD2 LYS 60 - HG2 LYS 62 far 0 79 0 - 5.4-12.1 HD2 LYS 60 - HG3 LYS 62 far 0 79 0 - 5.6-11.7 HD3 LYS 60 - HG3 LYS 62 far 0 79 0 - 5.7-12.5 HB2 LEU 37 - HG2 LYS 39 far 0 92 0 - 7.8-9.1 HB2 LEU 64 - HG3 LYS 60 far 0 98 0 - 8.3-16.8 HB2 LEU 64 - HG2 LYS 60 far 0 98 0 - 8.8-16.8 HG3 LYS 22 - HG2 LYS 39 far 0 90 0 - 9.8-13.0 Violated in 0 structures by 0.00 A. Peak 2963 from cnoeabs.peaks (2.98, 1.43, 24.66 ppm; 3.68 A): 10 out of 18 assignments used, quality = 1.00: * HE2 LYS 60 + HG2 LYS 60 OK 100 100 100 100 2.4-4.1 3.9=82, 2997/3.0=13...(58) HE3 LYS 60 + HG2 LYS 60 OK 100 100 100 100 2.1-4.2 3.9=82, 2997/3.0=13...(58) HE2 LYS 60 + HG3 LYS 60 OK 100 100 100 100 2.1-4.2 3.9=82, 2997/3.0=13...(58) HE3 LYS 60 + HG3 LYS 60 OK 100 100 100 100 2.1-3.7 3.9=82, 2997/3.0=13...(58) HE3 LYS 39 + HG2 LYS 39 OK 93 93 100 100 2.0-3.2 3.6=100 HE2 LYS 39 + HG2 LYS 39 OK 93 93 100 100 2.7-3.9 3.6=100 HE2 LYS 62 + HG3 LYS 62 OK 79 79 100 100 2.2-4.2 3.7=95, 3143/2.9=13...(50) HE2 LYS 62 + HG2 LYS 62 OK 79 79 100 100 2.5-3.8 3.7=95, 3143/2.9=13...(50) HE3 LYS 62 + HG2 LYS 62 OK 78 78 100 100 2.1-4.2 3.7=95, 3153/2.9=13...(50) HE3 LYS 62 + HG3 LYS 62 OK 78 78 100 100 2.5-3.8 3.7=95, 3153/2.9=13...(50) HE3 LYS 60 - HG3 LYS 62 far 4 79 5 - 4.5-12.6 HE3 LYS 60 - HG2 LYS 62 far 0 79 0 - 5.2-13.8 HE2 LYS 60 - HG3 LYS 62 far 0 79 0 - 5.2-12.5 HE2 LYS 62 - HG3 LYS 60 far 0 100 0 - 5.5-12.7 HE3 LYS 62 - HG2 LYS 60 far 0 100 0 - 5.5-12.7 HE2 LYS 60 - HG2 LYS 62 far 0 79 0 - 5.5-13.4 HE3 LYS 62 - HG3 LYS 60 far 0 100 0 - 5.8-13.7 HE2 LYS 62 - HG2 LYS 60 far 0 100 0 - 5.9-13.0 Violated in 0 structures by 0.00 A. Peak 2964 from cnoeabs.peaks (2.98, 1.43, 24.66 ppm; 3.68 A): 10 out of 18 assignments used, quality = 1.00: * HE3 LYS 60 + HG2 LYS 60 OK 100 100 100 100 2.1-4.2 3.9=82, 2997/3.0=13...(58) HE2 LYS 60 + HG2 LYS 60 OK 100 100 100 100 2.4-4.1 3.9=82, 2997/3.0=13...(58) HE3 LYS 60 + HG3 LYS 60 OK 100 100 100 100 2.1-3.7 3.9=82, 2997/3.0=13...(58) HE2 LYS 60 + HG3 LYS 60 OK 100 100 100 100 2.1-4.2 3.9=82, 2997/3.0=13...(58) HE3 LYS 39 + HG2 LYS 39 OK 93 93 100 100 2.0-3.2 3.6=100 HE2 LYS 39 + HG2 LYS 39 OK 93 93 100 100 2.7-3.9 3.6=100 HE2 LYS 62 + HG3 LYS 62 OK 79 79 100 100 2.2-4.2 3.7=95, 3153/2.9=13...(50) HE2 LYS 62 + HG2 LYS 62 OK 79 79 100 100 2.5-3.8 3.7=95, 3153/2.9=13...(50) HE3 LYS 62 + HG2 LYS 62 OK 79 79 100 100 2.1-4.2 3.7=95, 3153/2.9=13...(50) HE3 LYS 62 + HG3 LYS 62 OK 79 79 100 100 2.5-3.8 3.7=95, 3153/2.9=13...(50) HE3 LYS 60 - HG3 LYS 62 far 4 79 5 - 4.5-12.6 HE3 LYS 60 - HG2 LYS 62 far 0 79 0 - 5.2-13.8 HE2 LYS 60 - HG3 LYS 62 far 0 79 0 - 5.2-12.5 HE2 LYS 62 - HG3 LYS 60 far 0 100 0 - 5.5-12.7 HE3 LYS 62 - HG2 LYS 60 far 0 100 0 - 5.5-12.7 HE2 LYS 60 - HG2 LYS 62 far 0 79 0 - 5.5-13.4 HE3 LYS 62 - HG3 LYS 60 far 0 100 0 - 5.8-13.7 HE2 LYS 62 - HG2 LYS 60 far 0 100 0 - 5.9-13.0 Violated in 0 structures by 0.00 A. Peak 2965 from cnoeabs.peaks (7.98, 1.43, 24.66 ppm; 5.21 A): 3 out of 9 assignments used, quality = 1.00: * H LYS 60 + HG3 LYS 60 OK 100 100 100 100 2.2-4.7 4.9=100 H LYS 60 + HG2 LYS 60 OK 100 100 100 100 1.9-5.2 4.9=100 H HIS 36 + HG2 LYS 39 OK 45 92 50 98 6.5-7.8 ~4368=65, 3.0/4788=54...(10) H LYS 60 - HG2 LYS 62 far 8 81 10 - 5.0-11.9 H LYS 60 - HG3 LYS 62 far 8 81 10 - 5.9-11.2 H ILE 17 - HG2 LYS 62 far 0 46 0 - 7.3-26.5 H ILE 17 - HG3 LYS 62 far 0 46 0 - 8.9-28.2 H LEU 19 - HG2 LYS 62 far 0 81 0 - 9.4-25.2 H LEU 19 - HG3 LYS 62 far 0 81 0 - 9.8-26.9 Violated in 0 structures by 0.00 A. Peak 2966 from cnoeabs.peaks (4.26, 1.43, 24.66 ppm; 3.95 A): 7 out of 20 assignments used, quality = 1.00: * HA LYS 60 + HG3 LYS 60 OK 100 100 100 100 2.1-4.2 3.9=100 HA LYS 60 + HG2 LYS 60 OK 100 100 100 100 2.3-3.9 3.9=100 HA LYS 62 + HG2 LYS 62 OK 79 79 100 100 2.1-3.9 3.8=100 HA LYS 62 + HG3 LYS 62 OK 79 79 100 100 2.2-4.2 3.8=100 HA ARG 61 + HG3 LYS 60 OK 25 81 55 56 4.1-6.9 ~318=22, ~317=14...(11) HA THR 59 + HG2 LYS 60 OK 23 100 35 64 3.9-7.4 4681/3.0=49, 3.6/802=19...(5) HA THR 59 + HG3 LYS 60 OK 23 100 35 64 4.6-6.9 4681/3.0=49, 3.6/802=19...(5) HA ARG 61 - HG2 LYS 60 poor 20 80 45 55 3.2-6.6 ~318=22, ~317=14...(10) HA ARG 61 - HG3 LYS 62 poor 17 58 30 - 3.9-7.0 HB THR 59 - HG2 LYS 60 poor 12 87 35 40 4.4-8.3 ~4681=24, 4.7/802=15...(4) HA ARG 61 - HG2 LYS 62 poor 11 58 45 42 3.7-7.8 3.6/820=19, ~3602=8...(7) HA LYS 62 - HG3 LYS 60 far 10 100 10 - 3.6-10.0 HB THR 59 - HG3 LYS 60 far 9 87 10 - 3.8-8.3 HA LYS 62 - HG2 LYS 60 poor 8 100 25 33 4.8-9.7 3600/4.8=11, ~3091=6...(9) HA THR 59 - HG2 LYS 62 far 8 80 10 - 5.3-13.9 HA LYS 60 - HG2 LYS 62 far 4 81 5 - 5.4-10.4 HA THR 59 - HG3 LYS 62 far 4 80 5 - 4.7-13.0 HA LYS 60 - HG3 LYS 62 far 0 81 0 - 5.5-9.7 HB THR 59 - HG3 LYS 62 far 0 64 0 - 5.8-14.0 HB THR 59 - HG2 LYS 62 far 0 64 0 - 6.7-14.0 Violated in 0 structures by 0.00 A. Peak 2967 from cnoeabs.peaks (1.83, 1.43, 24.66 ppm; 3.61 A): 4 out of 18 assignments used, quality = 1.00: * HB2 LYS 60 + HG3 LYS 60 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LYS 60 + HG2 LYS 60 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LYS 62 + HG3 LYS 62 OK 78 78 100 100 2.2-3.0 2.9=100 HB2 LYS 62 + HG2 LYS 62 OK 78 78 100 100 2.3-3.0 2.9=100 HB2 ARG 61 - HG2 LYS 62 poor 16 52 30 - 2.7-8.4 HB2 LYS 60 - HG2 LYS 62 far 12 81 15 - 4.5-11.6 HB2 ARG 61 - HG3 LYS 62 poor 10 52 20 - 3.6-8.2 HB2 ARG 61 - HG2 LYS 60 poor 8 73 30 36 4.1-8.2 317/4.8=15, ~3092=3...(16) HB2 ARG 61 - HG3 LYS 60 far 7 73 10 - 2.6-8.4 HB2 LYS 62 - HG2 LYS 60 far 5 99 5 - 3.8-10.2 HB2 LYS 62 - HG3 LYS 60 far 5 99 5 - 4.1-10.6 HB2 LYS 60 - HG3 LYS 62 far 4 81 5 - 5.0-10.8 HG2 ARG 21 - HG3 LYS 62 far 0 52 0 - 7.3-28.0 HG2 ARG 21 - HG2 LYS 62 far 0 52 0 - 8.0-26.4 HB3 MET 11 - HG2 LYS 62 far 0 81 0 - 8.9-29.6 HB ILE 17 - HG3 LYS 62 far 0 80 0 - 9.1-29.6 HB ILE 17 - HG2 LYS 62 far 0 80 0 - 9.3-28.0 HG2 ARG 21 - HG3 LYS 60 far 0 73 0 - 10.0-21.0 Violated in 0 structures by 0.00 A. Peak 2968 from cnoeabs.peaks (1.78, 1.43, 24.66 ppm; 3.68 A): 4 out of 12 assignments used, quality = 1.00: * HB3 LYS 60 + HG3 LYS 60 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 60 + HG2 LYS 60 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 62 + HG2 LYS 62 OK 80 80 100 100 2.3-3.0 2.9=100 HB3 LYS 62 + HG3 LYS 62 OK 80 80 100 100 2.3-3.0 2.9=100 HB2 LYS 58 - HG3 LYS 60 poor 18 73 25 - 3.2-10.9 HB2 LYS 58 - HG2 LYS 60 poor 18 73 25 - 2.7-10.6 HB3 LYS 60 - HG2 LYS 62 far 12 81 15 - 4.0-10.1 HB3 LYS 62 - HG2 LYS 60 far 5 100 5 - 2.5-11.3 HB3 LYS 62 - HG3 LYS 60 far 5 100 5 - 2.8-10.2 HB3 LYS 60 - HG3 LYS 62 far 4 81 5 - 3.9-9.7 HB2 LYS 58 - HG3 LYS 62 far 3 52 5 - 3.5-16.4 HB2 LYS 58 - HG2 LYS 62 far 3 52 5 - 5.1-14.8 Violated in 0 structures by 0.00 A. 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 25 assignments used, quality = 1.00: * HD2 LYS 60 + HG3 LYS 60 OK 100 100 100 100 2.3-3.0 2.9=100 HD2 LYS 60 + HG2 LYS 60 OK 100 100 100 100 2.5-3.0 2.9=100 HD3 LYS 60 + HG3 LYS 60 OK 100 100 100 100 2.5-3.0 2.9=100 HD3 LYS 60 + HG2 LYS 60 OK 100 100 100 100 2.3-3.0 2.9=100 HD2 LYS 62 + HG3 LYS 62 OK 81 81 100 100 2.3-3.0 3.0=100 HD2 LYS 62 + HG2 LYS 62 OK 81 81 100 100 2.5-3.0 3.0=100 HD3 LYS 62 + HG2 LYS 62 OK 80 80 100 100 2.3-3.0 3.0=100 HD3 LYS 62 + HG3 LYS 62 OK 80 80 100 100 2.5-3.0 3.0=100 HD2 LYS 39 + HG2 LYS 39 OK 69 69 100 100 2.2-3.0 3.0=100 HD3 LYS 39 + HG2 LYS 39 OK 69 69 100 100 2.7-3.0 3.0=100 HD3 LYS 62 - HG2 LYS 60 far 5 100 5 - 3.9-11.5 HD3 LYS 62 - HG3 LYS 60 far 5 100 5 - 4.3-11.8 HB2 LEU 64 - HG2 LYS 62 far 4 74 5 - 4.2-11.5 HB2 LEU 64 - HG3 LYS 62 far 4 74 5 - 4.5-11.5 HD3 LYS 60 - HG2 LYS 62 far 0 81 0 - 4.6-12.8 HD3 LYS 42 - HG2 LYS 39 far 0 87 0 - 4.7-6.9 HD2 LYS 62 - HG3 LYS 60 far 0 100 0 - 5.1-12.6 HD2 LYS 62 - HG2 LYS 60 far 0 100 0 - 5.1-12.3 HD2 LYS 60 - HG2 LYS 62 far 0 81 0 - 5.4-12.1 HD2 LYS 60 - HG3 LYS 62 far 0 81 0 - 5.6-11.7 HD3 LYS 60 - HG3 LYS 62 far 0 81 0 - 5.7-12.5 HB2 LEU 37 - HG2 LYS 39 far 0 91 0 - 7.8-9.1 HB2 LEU 64 - HG3 LYS 60 far 0 97 0 - 8.3-16.8 HB2 LEU 64 - HG2 LYS 60 far 0 96 0 - 8.8-16.8 HG3 LYS 22 - HG2 LYS 39 far 0 93 0 - 9.8-13.0 Violated in 0 structures by 0.00 A. Peak 2972 from cnoeabs.peaks (1.67, 1.43, 24.66 ppm; 3.04 A): 10 out of 25 assignments used, quality = 1.00: * HD3 LYS 60 + HG3 LYS 60 OK 100 100 100 100 2.5-3.0 2.9=100 HD3 LYS 60 + HG2 LYS 60 OK 100 100 100 100 2.3-3.0 2.9=100 HD2 LYS 60 + HG3 LYS 60 OK 100 100 100 100 2.3-3.0 2.9=100 HD2 LYS 60 + HG2 LYS 60 OK 100 100 100 100 2.5-3.0 2.9=100 HD2 LYS 62 + HG3 LYS 62 OK 81 81 100 100 2.3-3.0 3.0=100 HD2 LYS 62 + HG2 LYS 62 OK 81 81 100 100 2.5-3.0 3.0=100 HD3 LYS 62 + HG2 LYS 62 OK 81 81 100 100 2.3-3.0 3.0=100 HD3 LYS 62 + HG3 LYS 62 OK 81 81 100 100 2.5-3.0 3.0=100 HD2 LYS 39 + HG2 LYS 39 OK 64 64 100 100 2.2-3.0 3.0=100 HD3 LYS 39 + HG2 LYS 39 OK 64 64 100 100 2.7-3.0 3.0=100 HD3 LYS 62 - HG2 LYS 60 far 5 100 5 - 3.9-11.5 HD3 LYS 62 - HG3 LYS 60 far 5 100 5 - 4.3-11.8 HB2 LEU 64 - HG2 LYS 62 far 4 76 5 - 4.2-11.5 HB2 LEU 64 - HG3 LYS 62 far 4 76 5 - 4.5-11.5 HD3 LYS 60 - HG2 LYS 62 far 0 81 0 - 4.6-12.8 HD3 LYS 42 - HG2 LYS 39 far 0 89 0 - 4.7-6.9 HD2 LYS 62 - HG3 LYS 60 far 0 100 0 - 5.1-12.6 HD2 LYS 62 - HG2 LYS 60 far 0 100 0 - 5.1-12.3 HD2 LYS 60 - HG2 LYS 62 far 0 81 0 - 5.4-12.1 HD2 LYS 60 - HG3 LYS 62 far 0 81 0 - 5.6-11.7 HD3 LYS 60 - HG3 LYS 62 far 0 81 0 - 5.7-12.5 HB2 LEU 37 - HG2 LYS 39 far 0 93 0 - 7.8-9.1 HB2 LEU 64 - HG3 LYS 60 far 0 98 0 - 8.3-16.8 HB2 LEU 64 - HG2 LYS 60 far 0 98 0 - 8.8-16.8 HG3 LYS 22 - HG2 LYS 39 far 0 91 0 - 9.8-13.0 Violated in 0 structures by 0.00 A. Peak 2973 from cnoeabs.peaks (2.98, 1.43, 24.66 ppm; 3.82 A): 10 out of 18 assignments used, quality = 1.00: * HE2 LYS 60 + HG3 LYS 60 OK 100 100 100 100 2.1-4.2 3.9=92, 2997/3.0=14...(58) HE3 LYS 60 + HG3 LYS 60 OK 100 100 100 100 2.1-3.7 3.9=92, 2997/3.0=14...(58) HE2 LYS 60 + HG2 LYS 60 OK 100 100 100 100 2.4-4.1 3.9=92, 2997/3.0=14...(58) HE3 LYS 60 + HG2 LYS 60 OK 100 100 100 100 2.1-4.2 3.9=92, 2997/3.0=14...(58) HE3 LYS 39 + HG2 LYS 39 OK 94 94 100 100 2.0-3.2 3.6=100 HE2 LYS 39 + HG2 LYS 39 OK 94 94 100 100 2.7-3.9 3.6=100 HE2 LYS 62 + HG3 LYS 62 OK 81 81 100 100 2.2-4.2 3.7=100 HE2 LYS 62 + HG2 LYS 62 OK 81 81 100 100 2.5-3.8 3.7=100 HE3 LYS 62 + HG2 LYS 62 OK 80 80 100 100 2.1-4.2 3.7=100 HE3 LYS 62 + HG3 LYS 62 OK 80 80 100 100 2.5-3.8 3.7=100 HE3 LYS 60 - HG3 LYS 62 far 4 81 5 - 4.5-12.6 HE2 LYS 60 - HG3 LYS 62 far 4 81 5 - 5.2-12.5 HE3 LYS 60 - HG2 LYS 62 far 4 81 5 - 5.2-13.8 HE2 LYS 62 - HG3 LYS 60 far 0 100 0 - 5.5-12.7 HE3 LYS 62 - HG2 LYS 60 far 0 100 0 - 5.5-12.7 HE2 LYS 60 - HG2 LYS 62 far 0 81 0 - 5.5-13.4 HE3 LYS 62 - HG3 LYS 60 far 0 100 0 - 5.8-13.7 HE2 LYS 62 - HG2 LYS 60 far 0 100 0 - 5.9-13.0 Violated in 0 structures by 0.00 A. Peak 2974 from cnoeabs.peaks (2.98, 1.43, 24.66 ppm; 3.82 A): 10 out of 18 assignments used, quality = 1.00: * HE3 LYS 60 + HG3 LYS 60 OK 100 100 100 100 2.1-3.7 3.9=92, 2997/3.0=14...(58) HE2 LYS 60 + HG3 LYS 60 OK 100 100 100 100 2.1-4.2 3.9=92, 2997/3.0=14...(58) HE3 LYS 60 + HG2 LYS 60 OK 100 100 100 100 2.1-4.2 3.9=92, 2997/3.0=14...(58) HE2 LYS 60 + HG2 LYS 60 OK 100 100 100 100 2.4-4.1 3.9=92, 2997/3.0=14...(58) HE3 LYS 39 + HG2 LYS 39 OK 94 94 100 100 2.0-3.2 3.6=100 HE2 LYS 39 + HG2 LYS 39 OK 94 94 100 100 2.7-3.9 3.6=100 HE2 LYS 62 + HG3 LYS 62 OK 81 81 100 100 2.2-4.2 3.7=100 HE2 LYS 62 + HG2 LYS 62 OK 81 81 100 100 2.5-3.8 3.7=100 HE3 LYS 62 + HG2 LYS 62 OK 80 80 100 100 2.1-4.2 3.7=100 HE3 LYS 62 + HG3 LYS 62 OK 80 80 100 100 2.5-3.8 3.7=100 HE3 LYS 60 - HG3 LYS 62 far 4 81 5 - 4.5-12.6 HE3 LYS 60 - HG2 LYS 62 far 4 81 5 - 5.2-13.8 HE2 LYS 60 - HG3 LYS 62 far 4 81 5 - 5.2-12.5 HE2 LYS 62 - HG3 LYS 60 far 0 100 0 - 5.5-12.7 HE3 LYS 62 - HG2 LYS 60 far 0 100 0 - 5.5-12.7 HE2 LYS 60 - HG2 LYS 62 far 0 81 0 - 5.5-13.4 HE3 LYS 62 - HG3 LYS 60 far 0 100 0 - 5.8-13.7 HE2 LYS 62 - HG2 LYS 60 far 0 100 0 - 5.9-13.0 Violated in 0 structures by 0.00 A. Peak 2976 from cnoeabs.peaks (4.26, 1.67, 28.78 ppm; 3.98 A): 4 out of 20 assignments used, quality = 1.00: HA LYS 62 + HD3 LYS 62 OK 97 99 100 98 2.1-4.8 5.0=51, 3073/3.4=28...(26) HA LYS 60 + HD3 LYS 60 OK 93 100 95 98 2.0-5.5 5.2=44, 3073/3.7=25...(29) * HA LYS 60 + HD2 LYS 60 OK 93 100 95 98 2.1-5.5 5.2=44, 3073/3.7=25...(29) HA LYS 62 + HD2 LYS 62 OK 87 99 90 98 2.0-5.5 5.0=51, 3073/3.4=28...(26) HB THR 59 - HD3 LYS 60 far 13 86 15 - 2.5-8.9 HA ARG 61 - HD2 LYS 62 far 12 80 15 - 3.9-8.0 HA ARG 61 - HD3 LYS 60 far 12 80 15 - 4.2-7.6 HA THR 59 - HD2 LYS 60 far 10 100 10 - 3.5-8.5 HA THR 59 - HD3 LYS 60 far 10 100 10 - 4.2-8.3 HA ARG 61 - HD2 LYS 60 far 8 81 10 - 3.9-7.9 HA ARG 61 - HD3 LYS 62 far 8 80 10 - 3.7-8.2 HA LYS 60 - HD2 LYS 62 far 5 100 5 - 3.4-11.3 HA LYS 62 - HD2 LYS 60 far 5 100 5 - 4.2-11.1 HA LYS 60 - HD3 LYS 62 far 5 100 5 - 4.7-11.2 HA LYS 62 - HD3 LYS 60 far 5 99 5 - 4.8-10.3 HB THR 59 - HD2 LYS 60 lone 3 87 25 13 3.1-9.7 313/6.2=6, 2956/2.9=2...(6) HA THR 59 - HD2 LYS 62 far 0 100 0 - 6.3-14.2 HB THR 59 - HD2 LYS 62 far 0 86 0 - 6.6-15.1 HA THR 59 - HD3 LYS 62 far 0 100 0 - 6.8-13.9 HB THR 59 - HD3 LYS 62 far 0 86 0 - 7.9-15.1 Violated in 0 structures by 0.00 A. Peak 2977 from cnoeabs.peaks (1.83, 1.67, 28.78 ppm; 4.39 A): 4 out of 20 assignments used, quality = 1.00: * HB2 LYS 60 + HD2 LYS 60 OK 100 100 100 100 2.2-4.2 3.7=100 HB2 LYS 60 + HD3 LYS 60 OK 100 100 100 100 2.2-4.2 3.7=100 HB2 LYS 62 + HD2 LYS 62 OK 99 99 100 100 2.1-3.8 3.4=100 HB2 LYS 62 + HD3 LYS 62 OK 98 98 100 100 2.2-4.2 3.4=100 HB2 LYS 60 - HD3 LYS 62 poor 20 100 20 - 5.3-12.0 HB2 ARG 61 - HD2 LYS 60 poor 15 73 20 - 5.0-8.6 HB2 ARG 61 - HD3 LYS 60 poor 15 73 20 - 3.2-9.5 HB2 ARG 61 - HD2 LYS 62 poor 15 73 20 - 4.4-9.5 HB2 ARG 61 - HD3 LYS 62 far 11 72 15 - 3.5-9.8 HB2 LYS 60 - HD2 LYS 62 far 5 100 5 - 4.9-11.9 HB2 LYS 62 - HD2 LYS 60 far 5 99 5 - 5.5-11.3 HG2 ARG 21 - HD2 LYS 62 far 4 73 5 - 5.9-27.1 HB2 LYS 62 - HD3 LYS 60 far 0 99 0 - 6.4-11.5 HG2 ARG 21 - HD3 LYS 62 far 0 72 0 - 7.1-25.7 HB ILE 17 - HD2 LYS 62 far 0 100 0 - 8.7-29.2 HB3 MET 11 - HD3 LYS 62 far 0 100 0 - 8.9-30.4 HB3 MET 11 - HD2 LYS 62 far 0 100 0 - 9.2-30.6 HB3 MET 11 - HD3 LYS 42 far 0 67 0 - 9.3-14.1 HD2 LYS 22 - HD2 LYS 62 far 0 90 0 - 9.6-27.5 HB ILE 17 - HD3 LYS 62 far 0 100 0 - 10.0-27.7 Violated in 0 structures by 0.00 A. Peak 2978 from cnoeabs.peaks (1.78, 1.67, 28.78 ppm; 2.59 A): 4 out of 12 assignments used, quality = 1.00: * HB3 LYS 60 + HD2 LYS 60 OK 86 100 100 86 2.1-4.0 3.7=34, 2951/1.8=11...(39) HB3 LYS 62 + HD2 LYS 62 OK 81 100 95 86 2.1-4.2 3.4=43, 2951/1.8=11...(36) HB3 LYS 62 + HD3 LYS 62 OK 81 100 95 85 2.3-4.2 3.4=43, 2951/1.8=11...(36) HB3 LYS 60 + HD3 LYS 60 OK 77 100 90 86 2.1-4.2 3.7=34, 2951/1.8=11...(39) HB3 LYS 60 - HD3 LYS 62 far 5 100 5 - 3.9-11.6 HB2 LYS 58 - HD3 LYS 60 far 0 73 0 - 4.5-12.4 HB2 LYS 58 - HD2 LYS 60 far 0 73 0 - 4.6-11.4 HB3 LYS 62 - HD2 LYS 60 far 0 100 0 - 4.6-11.0 HB3 LYS 62 - HD3 LYS 60 far 0 100 0 - 5.2-11.5 HB3 LYS 60 - HD2 LYS 62 far 0 100 0 - 5.7-10.7 HB2 LYS 58 - HD3 LYS 62 far 0 72 0 - 5.9-15.9 HB2 LYS 58 - HD2 LYS 62 far 0 73 0 - 6.1-15.4 Violated in 0 structures by 0.00 A. Peak 2979 from cnoeabs.peaks (1.43, 1.67, 28.78 ppm; 2.87 A): 8 out of 29 assignments used, quality = 1.00: HG3 LYS 60 + HD2 LYS 60 OK 99 100 100 99 2.3-3.0 2.9=93, 3.0/2978=13...(56) * HG2 LYS 60 + HD2 LYS 60 OK 99 100 100 99 2.5-3.0 2.9=93, 3.0/2978=13...(56) HG2 LYS 60 + HD3 LYS 60 OK 99 100 100 99 2.3-3.0 2.9=93, 3.0/2978=12...(56) HG3 LYS 60 + HD3 LYS 60 OK 99 100 100 99 2.5-3.0 2.9=93, 3.0/2978=12...(56) HG3 LYS 62 + HD2 LYS 62 OK 96 99 100 98 2.3-3.0 3.0=91, 2.9/2978=13...(43) HG2 LYS 62 + HD2 LYS 62 OK 96 99 100 98 2.5-3.0 3.0=91, 2.9/2978=13...(43) HG2 LYS 62 + HD3 LYS 62 OK 96 98 100 98 2.3-3.0 3.0=91, 2.9/3124=13...(43) HG3 LYS 62 + HD3 LYS 62 OK 96 98 100 98 2.5-3.0 3.0=91, 2.9/3124=13...(43) HG2 LYS 60 - HD3 LYS 62 far 5 100 5 - 3.9-11.5 HG3 LYS 60 - HD3 LYS 62 far 5 100 5 - 4.3-11.8 HG2 LYS 62 - HD3 LYS 60 far 0 99 0 - 4.6-12.8 HG2 LYS 39 - HD3 LYS 42 far 0 66 0 - 4.7-6.9 HG3 ARG 56 - HD3 LYS 60 far 0 65 0 - 4.7-13.5 HG3 LYS 60 - HD2 LYS 62 far 0 100 0 - 5.1-12.6 HB3 LEU 41 - HD3 LYS 42 far 0 67 0 - 5.1-7.7 HG2 LYS 60 - HD2 LYS 62 far 0 100 0 - 5.1-12.3 HG2 LYS 62 - HD2 LYS 60 far 0 99 0 - 5.4-12.1 HG3 LYS 58 - HD3 LYS 62 far 0 62 0 - 5.4-17.4 HG3 LYS 62 - HD2 LYS 60 far 0 99 0 - 5.6-11.7 HG3 LYS 62 - HD3 LYS 60 far 0 99 0 - 5.7-12.5 HG3 ARG 56 - HD2 LYS 60 far 0 65 0 - 6.0-14.7 HG3 LYS 58 - HD2 LYS 60 far 0 63 0 - 6.1-13.4 HG3 LYS 58 - HD2 LYS 62 far 0 62 0 - 6.2-17.5 HG3 LYS 58 - HD3 LYS 60 far 0 62 0 - 6.6-14.3 HB2 LYS 27 - HD3 LYS 60 far 0 98 0 - 6.8-17.8 HB2 LYS 27 - HD2 LYS 60 far 0 99 0 - 6.8-16.3 HG3 ARG 56 - HD2 LYS 62 far 0 65 0 - 7.5-18.5 HG3 ARG 56 - HD3 LYS 62 far 0 64 0 - 8.5-18.7 HB2 LYS 27 - HD2 LYS 62 far 0 98 0 - 8.7-20.2 Violated in 0 structures by 0.00 A. Peak 2980 from cnoeabs.peaks (1.43, 1.67, 28.78 ppm; 2.87 A): 8 out of 29 assignments used, quality = 1.00: * HG3 LYS 60 + HD2 LYS 60 OK 99 100 100 99 2.3-3.0 2.9=93, 3.0/2978=13...(56) HG2 LYS 60 + HD2 LYS 60 OK 99 100 100 99 2.5-3.0 2.9=93, 3.0/2978=13...(56) HG3 LYS 60 + HD3 LYS 60 OK 99 100 100 99 2.5-3.0 2.9=93, 3.0/2978=12...(56) HG2 LYS 60 + HD3 LYS 60 OK 99 100 100 99 2.3-3.0 2.9=93, 3.0/2978=12...(56) HG3 LYS 62 + HD2 LYS 62 OK 97 99 100 98 2.3-3.0 3.0=91, 2.9/2978=13...(43) HG2 LYS 62 + HD2 LYS 62 OK 97 99 100 98 2.5-3.0 3.0=91, 2.9/2978=13...(43) HG2 LYS 62 + HD3 LYS 62 OK 97 99 100 98 2.3-3.0 3.0=91, 2.9/3124=13...(43) HG3 LYS 62 + HD3 LYS 62 OK 97 99 100 98 2.5-3.0 3.0=91, 2.9/3124=13...(43) HG2 LYS 60 - HD3 LYS 62 far 5 100 5 - 3.9-11.5 HG3 LYS 60 - HD3 LYS 62 far 5 100 5 - 4.3-11.8 HG2 LYS 62 - HD3 LYS 60 far 0 99 0 - 4.6-12.8 HG2 LYS 39 - HD3 LYS 42 far 0 66 0 - 4.7-6.9 HG3 ARG 56 - HD3 LYS 60 far 0 68 0 - 4.7-13.5 HG3 LYS 60 - HD2 LYS 62 far 0 100 0 - 5.1-12.6 HB3 LEU 41 - HD3 LYS 42 far 0 67 0 - 5.1-7.7 HG2 LYS 60 - HD2 LYS 62 far 0 100 0 - 5.1-12.3 HG2 LYS 62 - HD2 LYS 60 far 0 99 0 - 5.4-12.1 HG3 LYS 58 - HD3 LYS 62 far 0 64 0 - 5.4-17.4 HG3 LYS 62 - HD2 LYS 60 far 0 99 0 - 5.6-11.7 HG3 LYS 62 - HD3 LYS 60 far 0 99 0 - 5.7-12.5 HG3 ARG 56 - HD2 LYS 60 far 0 68 0 - 6.0-14.7 HG3 LYS 58 - HD2 LYS 60 far 0 65 0 - 6.1-13.4 HG3 LYS 58 - HD2 LYS 62 far 0 65 0 - 6.2-17.5 HG3 LYS 58 - HD3 LYS 60 far 0 65 0 - 6.6-14.3 HB2 LYS 27 - HD3 LYS 60 far 0 98 0 - 6.8-17.8 HB2 LYS 27 - HD2 LYS 60 far 0 98 0 - 6.8-16.3 HG3 ARG 56 - HD2 LYS 62 far 0 68 0 - 7.5-18.5 HG3 ARG 56 - HD3 LYS 62 far 0 67 0 - 8.5-18.7 HB2 LYS 27 - HD2 LYS 62 far 0 98 0 - 8.7-20.2 Violated in 0 structures by 0.00 A. 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 18 assignments used, quality = 1.00: * HE2 LYS 60 + HD2 LYS 60 OK 100 100 100 100 2.5-3.0 3.0=100 HE3 LYS 60 + HD2 LYS 60 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 60 + HD3 LYS 60 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 62 + HD2 LYS 62 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 60 + HD3 LYS 60 OK 100 100 100 100 2.5-3.0 3.0=100 HE2 LYS 62 + HD3 LYS 62 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 62 + HD2 LYS 62 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 62 + HD3 LYS 62 OK 99 99 100 100 2.4-3.0 3.0=100 HE2 LYS 62 - HD3 LYS 60 far 0 100 0 - 4.8-13.3 HE3 LYS 60 - HD2 LYS 62 far 0 100 0 - 5.0-14.6 HE2 LYS 62 - HD2 LYS 60 far 0 100 0 - 5.0-13.0 HE2 LYS 60 - HD2 LYS 62 far 0 100 0 - 5.2-14.4 HE2 LYS 60 - HD3 LYS 62 far 0 100 0 - 6.0-14.0 HE3 LYS 62 - HD2 LYS 60 far 0 100 0 - 6.0-13.1 HE3 LYS 60 - HD3 LYS 62 far 0 100 0 - 6.0-13.3 HE3 LYS 62 - HD3 LYS 60 far 0 100 0 - 6.2-14.2 HE3 LYS 39 - HD3 LYS 42 far 0 67 0 - 6.4-8.5 HE2 LYS 39 - HD3 LYS 42 far 0 67 0 - 7.5-10.1 Violated in 0 structures by 0.00 A. Peak 2984 from cnoeabs.peaks (2.98, 1.67, 28.78 ppm; 2.98 A): 8 out of 18 assignments used, quality = 1.00: * HE3 LYS 60 + HD2 LYS 60 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 60 + HD2 LYS 60 OK 100 100 100 100 2.5-3.0 3.0=100 HE2 LYS 62 + HD2 LYS 62 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 60 + HD3 LYS 60 OK 100 100 100 100 2.5-3.0 3.0=100 HE2 LYS 60 + HD3 LYS 60 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 62 + HD2 LYS 62 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 62 + HD3 LYS 62 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 62 + HD3 LYS 62 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 62 - HD3 LYS 60 far 0 100 0 - 4.8-13.3 HE3 LYS 60 - HD2 LYS 62 far 0 100 0 - 5.0-14.6 HE2 LYS 62 - HD2 LYS 60 far 0 100 0 - 5.0-13.0 HE2 LYS 60 - HD2 LYS 62 far 0 100 0 - 5.2-14.4 HE2 LYS 60 - HD3 LYS 62 far 0 100 0 - 6.0-14.0 HE3 LYS 62 - HD2 LYS 60 far 0 100 0 - 6.0-13.1 HE3 LYS 60 - HD3 LYS 62 far 0 100 0 - 6.0-13.3 HE3 LYS 62 - HD3 LYS 60 far 0 100 0 - 6.2-14.2 HE3 LYS 39 - HD3 LYS 42 far 0 67 0 - 6.4-8.5 HE2 LYS 39 - HD3 LYS 42 far 0 67 0 - 7.5-10.1 Violated in 0 structures by 0.00 A. Peak 2986 from cnoeabs.peaks (4.26, 1.67, 28.78 ppm; 3.98 A): 4 out of 20 assignments used, quality = 1.00: HA LYS 62 + HD3 LYS 62 OK 97 100 100 98 2.1-4.8 5.0=51, 3073/3.4=28...(26) * HA LYS 60 + HD3 LYS 60 OK 93 100 95 98 2.0-5.5 5.2=44, 3073/3.7=25...(29) HA LYS 60 + HD2 LYS 60 OK 93 100 95 98 2.1-5.5 5.2=44, 3073/3.7=25...(29) HA LYS 62 + HD2 LYS 62 OK 88 100 90 98 2.0-5.5 5.0=51, 3073/3.4=28...(26) HB THR 59 - HD3 LYS 60 far 13 87 15 - 2.5-8.9 HA ARG 61 - HD2 LYS 62 far 12 81 15 - 3.9-8.0 HA ARG 61 - HD3 LYS 60 far 12 81 15 - 4.2-7.6 HA THR 59 - HD3 LYS 60 far 10 100 10 - 4.2-8.3 HA THR 59 - HD2 LYS 60 far 10 100 10 - 3.5-8.5 HA ARG 61 - HD3 LYS 62 far 8 80 10 - 3.7-8.2 HA ARG 61 - HD2 LYS 60 far 8 80 10 - 3.9-7.9 HA LYS 60 - HD2 LYS 62 far 5 100 5 - 3.4-11.3 HA LYS 60 - HD3 LYS 62 far 5 100 5 - 4.7-11.2 HA LYS 62 - HD3 LYS 60 far 5 100 5 - 4.8-10.3 HA LYS 62 - HD2 LYS 60 far 5 99 5 - 4.2-11.1 HB THR 59 - HD2 LYS 60 lone 3 86 25 13 3.1-9.7 313/6.2=6, 2956/2.9=2...(6) HA THR 59 - HD2 LYS 62 far 0 100 0 - 6.3-14.2 HB THR 59 - HD2 LYS 62 far 0 87 0 - 6.6-15.1 HA THR 59 - HD3 LYS 62 far 0 100 0 - 6.8-13.9 HB THR 59 - HD3 LYS 62 far 0 87 0 - 7.9-15.1 Violated in 0 structures by 0.00 A. Peak 2987 from cnoeabs.peaks (1.83, 1.67, 28.78 ppm; 4.39 A): 4 out of 20 assignments used, quality = 1.00: * HB2 LYS 60 + HD3 LYS 60 OK 100 100 100 100 2.2-4.2 3.7=100 HB2 LYS 60 + HD2 LYS 60 OK 100 100 100 100 2.2-4.2 3.7=100 HB2 LYS 62 + HD2 LYS 62 OK 99 99 100 100 2.1-3.8 3.4=100 HB2 LYS 62 + HD3 LYS 62 OK 99 99 100 100 2.2-4.2 3.4=100 HB2 LYS 60 - HD3 LYS 62 poor 20 100 20 - 5.3-12.0 HB2 ARG 61 - HD3 LYS 60 poor 15 73 20 - 3.2-9.5 HB2 ARG 61 - HD2 LYS 62 poor 15 73 20 - 4.4-9.5 HB2 ARG 61 - HD2 LYS 60 poor 15 73 20 - 5.0-8.6 HB2 ARG 61 - HD3 LYS 62 far 11 73 15 - 3.5-9.8 HB2 LYS 60 - HD2 LYS 62 far 5 100 5 - 4.9-11.9 HB2 LYS 62 - HD2 LYS 60 far 5 99 5 - 5.5-11.3 HG2 ARG 21 - HD2 LYS 62 far 4 73 5 - 5.9-27.1 HB2 LYS 62 - HD3 LYS 60 far 0 99 0 - 6.4-11.5 HG2 ARG 21 - HD3 LYS 62 far 0 73 0 - 7.1-25.7 HB ILE 17 - HD2 LYS 62 far 0 100 0 - 8.7-29.2 HB3 MET 11 - HD3 LYS 62 far 0 100 0 - 8.9-30.4 HB3 MET 11 - HD2 LYS 62 far 0 100 0 - 9.2-30.6 HB3 MET 11 - HD3 LYS 42 far 0 72 0 - 9.3-14.1 HD2 LYS 22 - HD2 LYS 62 far 0 90 0 - 9.6-27.5 HB ILE 17 - HD3 LYS 62 far 0 100 0 - 10.0-27.7 Violated in 0 structures by 0.00 A. Peak 2988 from cnoeabs.peaks (1.78, 1.67, 28.78 ppm; 2.59 A): 4 out of 12 assignments used, quality = 1.00: HB3 LYS 60 + HD2 LYS 60 OK 85 100 100 86 2.1-4.0 3.7=34, 2951/1.8=11...(39) HB3 LYS 62 + HD2 LYS 62 OK 81 100 95 86 2.1-4.2 3.4=43, 2951/1.8=11...(36) HB3 LYS 62 + HD3 LYS 62 OK 81 100 95 85 2.3-4.2 3.4=43, 2951/1.8=11...(36) * HB3 LYS 60 + HD3 LYS 60 OK 77 100 90 86 2.1-4.2 3.7=34, 2951/1.8=11...(39) HB3 LYS 60 - HD3 LYS 62 far 5 100 5 - 3.9-11.6 HB2 LYS 58 - HD3 LYS 60 far 0 73 0 - 4.5-12.4 HB2 LYS 58 - HD2 LYS 60 far 0 73 0 - 4.6-11.4 HB3 LYS 62 - HD2 LYS 60 far 0 100 0 - 4.6-11.0 HB3 LYS 62 - HD3 LYS 60 far 0 100 0 - 5.2-11.5 HB3 LYS 60 - HD2 LYS 62 far 0 100 0 - 5.7-10.7 HB2 LYS 58 - HD3 LYS 62 far 0 73 0 - 5.9-15.9 HB2 LYS 58 - HD2 LYS 62 far 0 73 0 - 6.1-15.4 Violated in 0 structures by 0.00 A. Peak 2989 from cnoeabs.peaks (1.43, 1.67, 28.78 ppm; 2.87 A): 8 out of 29 assignments used, quality = 1.00: * HG2 LYS 60 + HD3 LYS 60 OK 99 100 100 99 2.3-3.0 2.9=93, 3.0/2988=12...(56) HG3 LYS 60 + HD3 LYS 60 OK 99 100 100 99 2.5-3.0 2.9=93, 3.0/2988=12...(56) HG2 LYS 60 + HD2 LYS 60 OK 99 100 100 99 2.5-3.0 2.9=93, 3.0/2978=13...(56) HG3 LYS 60 + HD2 LYS 60 OK 99 100 100 99 2.3-3.0 2.9=93, 3.0/2978=13...(56) HG3 LYS 62 + HD2 LYS 62 OK 97 99 100 98 2.3-3.0 3.0=91, 2.9/3134=13...(43) HG2 LYS 62 + HD2 LYS 62 OK 97 99 100 98 2.5-3.0 3.0=91, 2.9/3134=13...(43) HG2 LYS 62 + HD3 LYS 62 OK 97 99 100 98 2.3-3.0 3.0=91, 2.9/3134=13...(43) HG3 LYS 62 + HD3 LYS 62 OK 97 99 100 98 2.5-3.0 3.0=91, 2.9/3134=13...(43) HG2 LYS 60 - HD3 LYS 62 far 5 100 5 - 3.9-11.5 HG3 LYS 60 - HD3 LYS 62 far 5 100 5 - 4.3-11.8 HG2 LYS 62 - HD3 LYS 60 far 0 99 0 - 4.6-12.8 HG2 LYS 39 - HD3 LYS 42 far 0 71 0 - 4.7-6.9 HG3 ARG 56 - HD3 LYS 60 far 0 65 0 - 4.7-13.5 HG3 LYS 60 - HD2 LYS 62 far 0 100 0 - 5.1-12.6 HB3 LEU 41 - HD3 LYS 42 far 0 72 0 - 5.1-7.7 HG2 LYS 60 - HD2 LYS 62 far 0 100 0 - 5.1-12.3 HG2 LYS 62 - HD2 LYS 60 far 0 99 0 - 5.4-12.1 HG3 LYS 58 - HD3 LYS 62 far 0 63 0 - 5.4-17.4 HG3 LYS 62 - HD2 LYS 60 far 0 99 0 - 5.6-11.7 HG3 LYS 62 - HD3 LYS 60 far 0 99 0 - 5.7-12.5 HG3 ARG 56 - HD2 LYS 60 far 0 65 0 - 6.0-14.7 HG3 LYS 58 - HD2 LYS 60 far 0 62 0 - 6.1-13.4 HG3 LYS 58 - HD2 LYS 62 far 0 63 0 - 6.2-17.5 HG3 LYS 58 - HD3 LYS 60 far 0 63 0 - 6.6-14.3 HB2 LYS 27 - HD3 LYS 60 far 0 99 0 - 6.8-17.8 HB2 LYS 27 - HD2 LYS 60 far 0 98 0 - 6.8-16.3 HG3 ARG 56 - HD2 LYS 62 far 0 65 0 - 7.5-18.5 HG3 ARG 56 - HD3 LYS 62 far 0 65 0 - 8.5-18.7 HB2 LYS 27 - HD2 LYS 62 far 0 99 0 - 8.7-20.2 Violated in 0 structures by 0.00 A. Peak 2990 from cnoeabs.peaks (1.43, 1.67, 28.78 ppm; 2.87 A): 8 out of 29 assignments used, quality = 1.00: * HG3 LYS 60 + HD3 LYS 60 OK 99 100 100 99 2.5-3.0 2.9=93, 3.0/2988=12...(56) HG2 LYS 60 + HD3 LYS 60 OK 99 100 100 99 2.3-3.0 2.9=93, 3.0/2988=12...(56) HG3 LYS 60 + HD2 LYS 60 OK 99 100 100 99 2.3-3.0 2.9=93, 3.0/2978=13...(56) HG2 LYS 60 + HD2 LYS 60 OK 99 100 100 99 2.5-3.0 2.9=93, 3.0/2978=13...(56) HG3 LYS 62 + HD2 LYS 62 OK 97 99 100 98 2.3-3.0 3.0=91, 2.9/3134=13...(43) HG2 LYS 62 + HD2 LYS 62 OK 97 99 100 98 2.5-3.0 3.0=91, 2.9/3134=13...(43) HG2 LYS 62 + HD3 LYS 62 OK 97 99 100 98 2.3-3.0 3.0=91, 2.9/3134=13...(43) HG3 LYS 62 + HD3 LYS 62 OK 97 99 100 98 2.5-3.0 3.0=91, 2.9/3134=13...(43) HG2 LYS 60 - HD3 LYS 62 far 5 100 5 - 3.9-11.5 HG3 LYS 60 - HD3 LYS 62 far 5 100 5 - 4.3-11.8 HG2 LYS 62 - HD3 LYS 60 far 0 99 0 - 4.6-12.8 HG2 LYS 39 - HD3 LYS 42 far 0 71 0 - 4.7-6.9 HG3 ARG 56 - HD3 LYS 60 far 0 68 0 - 4.7-13.5 HG3 LYS 60 - HD2 LYS 62 far 0 100 0 - 5.1-12.6 HB3 LEU 41 - HD3 LYS 42 far 0 72 0 - 5.1-7.7 HG2 LYS 60 - HD2 LYS 62 far 0 100 0 - 5.1-12.3 HG2 LYS 62 - HD2 LYS 60 far 0 99 0 - 5.4-12.1 HG3 LYS 58 - HD3 LYS 62 far 0 65 0 - 5.4-17.4 HG3 LYS 62 - HD2 LYS 60 far 0 99 0 - 5.6-11.7 HG3 LYS 62 - HD3 LYS 60 far 0 99 0 - 5.7-12.5 HG3 ARG 56 - HD2 LYS 60 far 0 68 0 - 6.0-14.7 HG3 LYS 58 - HD2 LYS 60 far 0 65 0 - 6.1-13.4 HG3 LYS 58 - HD2 LYS 62 far 0 65 0 - 6.2-17.5 HG3 LYS 58 - HD3 LYS 60 far 0 65 0 - 6.6-14.3 HB2 LYS 27 - HD3 LYS 60 far 0 98 0 - 6.8-17.8 HB2 LYS 27 - HD2 LYS 60 far 0 98 0 - 6.8-16.3 HG3 ARG 56 - HD2 LYS 62 far 0 68 0 - 7.5-18.5 HG3 ARG 56 - HD3 LYS 62 far 0 68 0 - 8.5-18.7 HB2 LYS 27 - HD2 LYS 62 far 0 98 0 - 8.7-20.2 Violated in 0 structures by 0.00 A. 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 18 assignments used, quality = 1.00: * HE2 LYS 60 + HD3 LYS 60 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 62 + HD2 LYS 62 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 60 + HD3 LYS 60 OK 100 100 100 100 2.5-3.0 3.0=100 HE2 LYS 62 + HD3 LYS 62 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 60 + HD2 LYS 60 OK 100 100 100 100 2.5-3.0 3.0=100 HE3 LYS 60 + HD2 LYS 60 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 62 + HD2 LYS 62 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 62 + HD3 LYS 62 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 62 - HD3 LYS 60 far 0 100 0 - 4.8-13.3 HE3 LYS 60 - HD2 LYS 62 far 0 100 0 - 5.0-14.6 HE2 LYS 62 - HD2 LYS 60 far 0 100 0 - 5.0-13.0 HE2 LYS 60 - HD2 LYS 62 far 0 100 0 - 5.2-14.4 HE2 LYS 60 - HD3 LYS 62 far 0 100 0 - 6.0-14.0 HE3 LYS 62 - HD2 LYS 60 far 0 100 0 - 6.0-13.1 HE3 LYS 60 - HD3 LYS 62 far 0 100 0 - 6.0-13.3 HE3 LYS 62 - HD3 LYS 60 far 0 100 0 - 6.2-14.2 HE3 LYS 39 - HD3 LYS 42 far 0 72 0 - 6.4-8.5 HE2 LYS 39 - HD3 LYS 42 far 0 72 0 - 7.5-10.1 Violated in 0 structures by 0.00 A. Peak 2994 from cnoeabs.peaks (2.98, 1.67, 28.78 ppm; 2.98 A): 8 out of 18 assignments used, quality = 1.00: HE2 LYS 62 + HD2 LYS 62 OK 100 100 100 100 2.4-3.0 3.0=100 * HE3 LYS 60 + HD3 LYS 60 OK 100 100 100 100 2.5-3.0 3.0=100 HE2 LYS 60 + HD3 LYS 60 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 62 + HD3 LYS 62 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 60 + HD2 LYS 60 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 62 + HD2 LYS 62 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 60 + HD2 LYS 60 OK 100 100 100 100 2.5-3.0 3.0=100 HE3 LYS 62 + HD3 LYS 62 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 62 - HD3 LYS 60 far 0 100 0 - 4.8-13.3 HE3 LYS 60 - HD2 LYS 62 far 0 100 0 - 5.0-14.6 HE2 LYS 62 - HD2 LYS 60 far 0 100 0 - 5.0-13.0 HE2 LYS 60 - HD2 LYS 62 far 0 100 0 - 5.2-14.4 HE2 LYS 60 - HD3 LYS 62 far 0 100 0 - 6.0-14.0 HE3 LYS 62 - HD2 LYS 60 far 0 100 0 - 6.0-13.1 HE3 LYS 60 - HD3 LYS 62 far 0 100 0 - 6.0-13.3 HE3 LYS 62 - HD3 LYS 60 far 0 100 0 - 6.2-14.2 HE3 LYS 39 - HD3 LYS 42 far 0 72 0 - 6.4-8.5 HE2 LYS 39 - HD3 LYS 42 far 0 72 0 - 7.5-10.1 Violated in 0 structures by 0.00 A. Peak 2997 from cnoeabs.peaks (1.83, 2.98, 42.17 ppm; 3.95 A): 4 out of 23 assignments used, quality = 1.00: * HB2 LYS 60 + HE2 LYS 60 OK 99 100 100 99 2.8-5.0 4.9=52, 1.8/2998=18...(53) HB2 LYS 60 + HE3 LYS 60 OK 99 100 100 99 2.0-5.1 4.9=52, 1.8/2998=18...(53) HB2 LYS 62 + HE2 LYS 62 OK 93 98 95 99 2.0-5.5 4.6=63, 1.8/2998=18...(55) HB2 LYS 62 + HE3 LYS 62 OK 92 97 95 99 2.2-5.5 4.6=63, 1.8/3144=18...(55) HB2 LYS 60 - HE2 LYS 62 far 10 100 10 - 3.7-12.1 HB2 ARG 61 - HE2 LYS 60 far 7 73 10 - 3.9-10.0 HB2 ARG 61 - HE3 LYS 60 far 7 73 10 - 3.2-9.3 HB2 ARG 61 - HE3 LYS 62 far 7 71 10 - 4.9-9.7 HB2 LYS 62 - HE3 LYS 60 far 5 99 5 - 4.5-11.9 HB2 LYS 62 - HE2 LYS 60 far 5 99 5 - 5.2-11.4 HB2 LYS 60 - HE3 LYS 62 far 5 99 5 - 4.9-12.0 HB2 ARG 61 - HE2 LYS 62 far 4 72 5 - 3.8-10.6 HB3 MET 11 - HE2 LYS 62 far 0 100 0 - 6.6-33.0 HB3 MET 11 - HE3 LYS 62 far 0 99 0 - 7.0-32.7 HG2 ARG 21 - HE3 LYS 62 far 0 71 0 - 7.8-27.7 HB ILE 17 - HE3 LYS 62 far 0 99 0 - 8.2-29.9 HB3 ARG 34 - HE2 LYS 49 far 0 72 0 - 8.3-11.5 HB3 GLN 47 - HE3 LYS 49 far 0 97 0 - 8.5-11.8 HG2 ARG 21 - HE2 LYS 62 far 0 72 0 - 8.5-28.4 HB3 ARG 34 - HE3 LYS 49 far 0 72 0 - 8.7-11.3 HB3 GLN 47 - HE2 LYS 49 far 0 97 0 - 8.8-11.5 HB ILE 17 - HE2 LYS 62 far 0 100 0 - 9.7-30.3 HD2 LYS 22 - HE2 LYS 39 far 0 48 0 - 10.0-13.6 Violated in 0 structures by 0.00 A. Peak 2998 from cnoeabs.peaks (1.78, 2.98, 42.17 ppm; 4.06 A): 4 out of 13 assignments used, quality = 1.00: * HB3 LYS 60 + HE2 LYS 60 OK 99 100 100 99 2.0-5.1 4.9=56, 2978/3.0=23...(47) HB3 LYS 60 + HE3 LYS 60 OK 99 100 100 99 2.3-4.9 4.9=56, 2978/3.0=23...(47) HB3 LYS 62 + HE2 LYS 62 OK 99 100 100 99 2.6-4.8 4.6=68, 2988/3.0=21...(49) HB3 LYS 62 + HE3 LYS 62 OK 98 99 100 99 2.0-5.2 4.6=68, 2988/3.0=21...(49) HB2 LYS 58 - HE3 LYS 60 poor 15 73 20 - 2.8-12.2 HB3 LYS 62 - HE3 LYS 60 far 10 100 10 - 3.7-12.7 HB2 LYS 58 - HE2 LYS 60 far 7 73 10 - 3.6-12.1 HB2 LYS 58 - HE2 LYS 62 far 7 72 10 - 4.1-17.6 HB2 LYS 58 - HE3 LYS 62 far 7 71 10 - 4.2-17.7 HB3 LYS 62 - HE2 LYS 60 far 5 100 5 - 4.1-12.4 HB3 LYS 60 - HE2 LYS 62 far 5 100 5 - 3.2-11.2 HB3 LYS 60 - HE3 LYS 62 far 5 99 5 - 3.9-11.6 HB2 PRO 32 - HE2 LYS 39 far 0 45 0 - 8.7-11.7 Violated in 0 structures by 0.00 A. Peak 2999 from cnoeabs.peaks (1.43, 2.98, 42.17 ppm; 3.24 A): 12 out of 38 assignments used, quality = 1.00: * HG2 LYS 60 + HE2 LYS 60 OK 96 100 100 96 2.4-4.1 3.9=56, 3.0/2997=10...(54) HG3 LYS 60 + HE2 LYS 60 OK 96 100 100 96 2.1-4.2 3.9=56, 3.0/2997=10...(54) HG2 LYS 60 + HE3 LYS 60 OK 96 100 100 96 2.1-4.2 3.9=56, 3.0/2997=10...(54) HG3 LYS 60 + HE3 LYS 60 OK 96 100 100 96 2.1-3.7 3.9=56, 3.0/2997=10...(54) HG3 LYS 62 + HE2 LYS 62 OK 94 98 100 95 2.2-4.2 3.7=65, 2.9/3143=10...(44) HG2 LYS 62 + HE2 LYS 62 OK 94 98 100 95 2.5-3.8 3.7=65, 2.9/3143=10...(44) HG2 LYS 62 + HE3 LYS 62 OK 92 97 100 95 2.1-4.2 3.7=65, 2.9/3143=10...(44) HG3 LYS 62 + HE3 LYS 62 OK 92 97 100 95 2.5-3.8 3.7=65, 2.9/3143=10...(44) HG3 LYS 49 + HE2 LYS 49 OK 61 62 100 98 2.2-4.2 3.6=72, 1.8/2455=26...(27) HG3 LYS 49 + HE3 LYS 49 OK 61 62 100 98 2.1-4.2 3.6=72, 1.8/2455=26...(27) HG2 LYS 39 + HE3 LYS 39 OK 56 58 100 96 2.0-3.2 3.6=72, ~2050=15...(40) HG2 LYS 39 + HE2 LYS 39 OK 56 58 100 96 2.7-3.9 3.6=72, ~2050=15...(40) HG3 LYS 58 - HE2 LYS 62 far 6 62 10 - 3.4-19.0 HG3 LYS 58 - HE3 LYS 62 far 6 60 10 - 4.2-19.3 HG3 LYS 62 - HE3 LYS 60 far 5 99 5 - 4.5-12.6 HG3 ARG 56 - HE2 LYS 60 far 3 65 5 - 4.7-14.0 HG3 LYS 58 - HE3 LYS 60 far 3 63 5 - 4.5-14.3 HG3 LYS 58 - HE2 LYS 60 far 0 63 0 - 4.9-14.3 HG3 ARG 56 - HE3 LYS 60 far 0 65 0 - 5.2-14.7 HG2 LYS 62 - HE3 LYS 60 far 0 99 0 - 5.2-13.8 HG3 LYS 62 - HE2 LYS 60 far 0 99 0 - 5.2-12.5 HG3 LYS 60 - HE2 LYS 62 far 0 100 0 - 5.5-12.7 HG2 LYS 60 - HE3 LYS 62 far 0 99 0 - 5.5-12.7 HG2 LYS 62 - HE2 LYS 60 far 0 99 0 - 5.5-13.4 HG3 ARG 56 - HE3 LYS 62 far 0 63 0 - 5.8-18.6 HG3 LYS 60 - HE3 LYS 62 far 0 99 0 - 5.8-13.7 HG2 LYS 60 - HE2 LYS 62 far 0 100 0 - 5.9-13.0 HG3 ARG 56 - HE2 LYS 62 far 0 64 0 - 7.3-18.1 HB2 LYS 27 - HE3 LYS 62 far 0 97 0 - 7.9-21.0 HB2 LYS 27 - HE2 LYS 60 far 0 99 0 - 7.9-16.7 HG3 ARG 56 - HE3 LYS 49 far 0 64 0 - 8.2-14.6 HB2 LYS 27 - HE3 LYS 60 far 0 99 0 - 8.3-17.4 HB2 LYS 27 - HE3 LYS 49 far 0 98 0 - 8.6-15.4 HG3 ARG 56 - HE2 LYS 49 far 0 64 0 - 9.5-15.4 HB2 LYS 27 - HE2 LYS 62 far 0 98 0 - 9.6-20.6 HB3 LEU 41 - HE3 LYS 39 far 0 59 0 - 9.6-11.5 HB3 LEU 41 - HE2 LYS 39 far 0 59 0 - 9.8-12.3 HB2 LYS 27 - HE2 LYS 49 far 0 98 0 - 9.8-14.1 Violated in 0 structures by 0.00 A. Peak 3000 from cnoeabs.peaks (1.43, 2.98, 42.17 ppm; 3.24 A): 12 out of 38 assignments used, quality = 1.00: * HG3 LYS 60 + HE2 LYS 60 OK 96 100 100 96 2.1-4.2 3.9=56, 3.0/2997=10...(54) HG2 LYS 60 + HE2 LYS 60 OK 96 100 100 96 2.4-4.1 3.9=56, 3.0/2997=10...(54) HG3 LYS 60 + HE3 LYS 60 OK 96 100 100 96 2.1-3.7 3.9=56, 3.0/2997=10...(54) HG2 LYS 60 + HE3 LYS 60 OK 96 100 100 96 2.1-4.2 3.9=56, 3.0/2997=10...(54) HG3 LYS 62 + HE2 LYS 62 OK 94 99 100 95 2.2-4.2 3.7=65, 2.9/3143=10...(44) HG2 LYS 62 + HE2 LYS 62 OK 94 99 100 95 2.5-3.8 3.7=65, 2.9/3143=10...(44) HG2 LYS 62 + HE3 LYS 62 OK 93 98 100 95 2.1-4.2 3.7=65, 2.9/3143=10...(44) HG3 LYS 62 + HE3 LYS 62 OK 93 98 100 95 2.5-3.8 3.7=65, 2.9/3143=10...(44) HG3 LYS 49 + HE2 LYS 49 OK 58 59 100 98 2.2-4.2 3.6=72, 1.8/2455=26...(27) HG3 LYS 49 + HE3 LYS 49 OK 58 59 100 98 2.1-4.2 3.6=72, 1.8/2455=26...(27) HG2 LYS 39 + HE3 LYS 39 OK 56 59 100 96 2.0-3.2 3.6=72, ~2050=15...(40) HG2 LYS 39 + HE2 LYS 39 OK 56 59 100 96 2.7-3.9 3.6=72, ~2050=15...(40) HG3 LYS 58 - HE2 LYS 62 far 6 64 10 - 3.4-19.0 HG3 LYS 58 - HE3 LYS 62 far 6 63 10 - 4.2-19.3 HG3 LYS 62 - HE3 LYS 60 far 5 99 5 - 4.5-12.6 HG3 ARG 56 - HE2 LYS 60 far 3 68 5 - 4.7-14.0 HG3 LYS 58 - HE3 LYS 60 far 3 65 5 - 4.5-14.3 HG3 LYS 58 - HE2 LYS 60 far 0 65 0 - 4.9-14.3 HG3 ARG 56 - HE3 LYS 60 far 0 68 0 - 5.2-14.7 HG2 LYS 62 - HE3 LYS 60 far 0 99 0 - 5.2-13.8 HG3 LYS 62 - HE2 LYS 60 far 0 99 0 - 5.2-12.5 HG3 LYS 60 - HE2 LYS 62 far 0 100 0 - 5.5-12.7 HG2 LYS 60 - HE3 LYS 62 far 0 99 0 - 5.5-12.7 HG2 LYS 62 - HE2 LYS 60 far 0 99 0 - 5.5-13.4 HG3 ARG 56 - HE3 LYS 62 far 0 65 0 - 5.8-18.6 HG3 LYS 60 - HE3 LYS 62 far 0 99 0 - 5.8-13.7 HG2 LYS 60 - HE2 LYS 62 far 0 100 0 - 5.9-13.0 HG3 ARG 56 - HE2 LYS 62 far 0 67 0 - 7.3-18.1 HB2 LYS 27 - HE3 LYS 62 far 0 96 0 - 7.9-21.0 HB2 LYS 27 - HE2 LYS 60 far 0 98 0 - 7.9-16.7 HG3 ARG 56 - HE3 LYS 49 far 0 67 0 - 8.2-14.6 HB2 LYS 27 - HE3 LYS 60 far 0 98 0 - 8.3-17.4 HB2 LYS 27 - HE3 LYS 49 far 0 97 0 - 8.6-15.4 HG3 ARG 56 - HE2 LYS 49 far 0 67 0 - 9.5-15.4 HB2 LYS 27 - HE2 LYS 62 far 0 97 0 - 9.6-20.6 HB3 LEU 41 - HE3 LYS 39 far 0 59 0 - 9.6-11.5 HB3 LEU 41 - HE2 LYS 39 far 0 59 0 - 9.8-12.3 HB2 LYS 27 - HE2 LYS 49 far 0 97 0 - 9.8-14.1 Violated in 0 structures by 0.00 A. Peak 3001 from cnoeabs.peaks (1.67, 2.98, 42.17 ppm; 2.55 A): 12 out of 30 assignments used, quality = 1.00: HD2 LYS 62 + HE2 LYS 62 OK 85 100 100 85 2.4-3.0 3.0=63, 3130/1.8=6...(33) HD3 LYS 62 + HE2 LYS 62 OK 85 100 100 86 2.3-3.0 3.0=63, 3130/1.8=6...(33) HD2 LYS 62 + HE3 LYS 62 OK 84 99 100 85 2.3-3.0 3.0=63, 3130/1.8=6...(33) HD3 LYS 62 + HE3 LYS 62 OK 84 99 100 86 2.4-3.0 3.0=63, 3140/1.8=6...(33) * HD2 LYS 60 + HE2 LYS 60 OK 82 100 100 82 2.5-3.0 3.0=62, 3130/1.8=6...(34) HD2 LYS 60 + HE3 LYS 60 OK 82 100 100 82 2.3-3.0 3.0=62, 3130/1.8=6...(34) HD3 LYS 60 + HE2 LYS 60 OK 82 100 100 82 2.3-3.0 3.0=62, 3130/1.8=6...(34) HD3 LYS 60 + HE3 LYS 60 OK 82 100 100 82 2.5-3.0 3.0=62, 3130/1.8=6...(34) HD3 LYS 39 + HE2 LYS 39 OK 30 39 100 76 2.2-2.5 3.0=62, 2040/3.6=10...(14) HD2 LYS 39 + HE2 LYS 39 OK 30 39 100 76 2.4-3.0 3.0=62, 2040/3.6=10...(14) HD2 LYS 39 + HE3 LYS 39 OK 30 39 100 76 2.4-3.0 3.0=62, 2040/3.6=10...(14) HD3 LYS 39 + HE3 LYS 39 OK 30 39 100 76 2.7-3.0 3.0=62, 2040/3.6=10...(14) HB2 LEU 64 - HE2 LYS 62 far 10 96 10 - 3.1-12.6 HB2 LEU 64 - HE3 LYS 62 far 5 94 5 - 3.8-12.8 HG13 ILE 50 - HE3 LYS 49 far 4 82 5 - 4.0-8.8 HG13 ILE 50 - HE2 LYS 49 far 0 82 0 - 4.1-8.9 HD3 LYS 60 - HE2 LYS 62 far 0 100 0 - 4.8-13.3 HD2 LYS 62 - HE3 LYS 60 far 0 100 0 - 5.0-14.6 HD2 LYS 60 - HE2 LYS 62 far 0 100 0 - 5.0-13.0 HD2 LYS 62 - HE2 LYS 60 far 0 100 0 - 5.2-14.4 HD3 LYS 62 - HE2 LYS 60 far 0 100 0 - 6.0-14.0 HD2 LYS 60 - HE3 LYS 62 far 0 99 0 - 6.0-13.1 HD3 LYS 62 - HE3 LYS 60 far 0 100 0 - 6.0-13.3 HD3 LYS 60 - HE3 LYS 62 far 0 99 0 - 6.2-14.2 HD3 LYS 42 - HE3 LYS 39 far 0 52 0 - 6.4-8.5 HD3 LYS 42 - HE2 LYS 39 far 0 52 0 - 7.5-10.1 HB2 LEU 64 - HE2 LYS 60 far 0 97 0 - 8.2-17.7 HB2 LEU 37 - HE3 LYS 39 far 0 56 0 - 8.3-10.3 HB2 LEU 37 - HE2 LYS 39 far 0 56 0 - 8.3-10.1 HB2 LEU 64 - HE3 LYS 60 far 0 96 0 - 9.1-18.6 Violated in 0 structures by 0.00 A. Peak 3002 from cnoeabs.peaks (1.67, 2.98, 42.17 ppm; 2.93 A): 12 out of 30 assignments used, quality = 1.00: HD2 LYS 62 + HE2 LYS 62 OK 99 100 100 99 2.4-3.0 3.0=96, 3140/1.8=8...(43) HD3 LYS 62 + HE2 LYS 62 OK 99 100 100 99 2.3-3.0 3.0=96, 3140/1.8=8...(43) * HD3 LYS 60 + HE2 LYS 60 OK 98 100 100 98 2.3-3.0 3.0=95, 3140/1.8=8...(36) HD3 LYS 60 + HE3 LYS 60 OK 98 100 100 98 2.5-3.0 3.0=95, 3140/1.8=8...(36) HD2 LYS 60 + HE2 LYS 60 OK 98 100 100 98 2.5-3.0 3.0=95, 3130/1.8=8...(36) HD2 LYS 60 + HE3 LYS 60 OK 98 100 100 98 2.3-3.0 3.0=95, 3130/1.8=8...(36) HD2 LYS 62 + HE3 LYS 62 OK 98 99 100 99 2.3-3.0 3.0=96, 3140/1.8=8...(43) HD3 LYS 62 + HE3 LYS 62 OK 98 99 100 99 2.4-3.0 3.0=96, 3140/1.8=8...(43) HD3 LYS 39 + HE2 LYS 39 OK 35 36 100 97 2.2-2.5 3.0=94, 2040/3.6=12...(21) HD2 LYS 39 + HE2 LYS 39 OK 35 36 100 97 2.4-3.0 3.0=94, 2040/3.6=12...(21) HD2 LYS 39 + HE3 LYS 39 OK 35 36 100 97 2.4-3.0 3.0=94, 2040/3.6=12...(21) HD3 LYS 39 + HE3 LYS 39 OK 35 36 100 97 2.7-3.0 3.0=94, 2040/3.6=12...(21) HG13 ILE 50 - HE2 LYS 49 poor 19 77 25 - 4.1-8.9 HB2 LEU 64 - HE2 LYS 62 far 10 97 10 - 3.1-12.6 HB2 LEU 64 - HE3 LYS 62 far 5 96 5 - 3.8-12.8 HG13 ILE 50 - HE3 LYS 49 far 4 77 5 - 4.0-8.8 HD3 LYS 60 - HE2 LYS 62 far 0 100 0 - 4.8-13.3 HD2 LYS 62 - HE3 LYS 60 far 0 100 0 - 5.0-14.6 HD2 LYS 60 - HE2 LYS 62 far 0 100 0 - 5.0-13.0 HD2 LYS 62 - HE2 LYS 60 far 0 100 0 - 5.2-14.4 HD3 LYS 62 - HE2 LYS 60 far 0 100 0 - 6.0-14.0 HD2 LYS 60 - HE3 LYS 62 far 0 99 0 - 6.0-13.1 HD3 LYS 62 - HE3 LYS 60 far 0 100 0 - 6.0-13.3 HD3 LYS 60 - HE3 LYS 62 far 0 99 0 - 6.2-14.2 HD3 LYS 42 - HE3 LYS 39 far 0 54 0 - 6.4-8.5 HD3 LYS 42 - HE2 LYS 39 far 0 54 0 - 7.5-10.1 HB2 LEU 64 - HE2 LYS 60 far 0 98 0 - 8.2-17.7 HB2 LEU 37 - HE3 LYS 39 far 0 57 0 - 8.3-10.3 HB2 LEU 37 - HE2 LYS 39 far 0 57 0 - 8.3-10.1 HB2 LEU 64 - HE3 LYS 60 far 0 98 0 - 9.1-18.6 Violated in 0 structures by 0.00 A. 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 23 assignments used, quality = 1.00: * HB2 LYS 60 + HE3 LYS 60 OK 99 100 100 99 2.0-5.1 4.9=52, 1.8/2998=18...(53) HB2 LYS 60 + HE2 LYS 60 OK 99 100 100 99 2.8-5.0 4.9=52, 1.8/2998=18...(53) HB2 LYS 62 + HE2 LYS 62 OK 93 99 95 99 2.0-5.5 4.6=63, 1.8/2998=18...(55) HB2 LYS 62 + HE3 LYS 62 OK 92 98 95 99 2.2-5.5 4.6=63, 1.8/3144=18...(55) HB2 LYS 60 - HE2 LYS 62 far 10 100 10 - 3.7-12.1 HB2 ARG 61 - HE3 LYS 60 far 7 73 10 - 3.2-9.3 HB2 ARG 61 - HE2 LYS 60 far 7 73 10 - 3.9-10.0 HB2 ARG 61 - HE3 LYS 62 far 7 71 10 - 4.9-9.7 HB2 LYS 60 - HE3 LYS 62 far 5 99 5 - 4.9-12.0 HB2 LYS 62 - HE3 LYS 60 far 5 99 5 - 4.5-11.9 HB2 LYS 62 - HE2 LYS 60 far 5 99 5 - 5.2-11.4 HB2 ARG 61 - HE2 LYS 62 far 4 72 5 - 3.8-10.6 HB3 MET 11 - HE2 LYS 62 far 0 100 0 - 6.6-33.0 HB3 MET 11 - HE3 LYS 62 far 0 99 0 - 7.0-32.7 HG2 ARG 21 - HE3 LYS 62 far 0 71 0 - 7.8-27.7 HB ILE 17 - HE3 LYS 62 far 0 99 0 - 8.2-29.9 HB3 ARG 34 - HE2 LYS 49 far 0 71 0 - 8.3-11.5 HB3 GLN 47 - HE3 LYS 49 far 0 97 0 - 8.5-11.8 HG2 ARG 21 - HE2 LYS 62 far 0 72 0 - 8.5-28.4 HB3 ARG 34 - HE3 LYS 49 far 0 71 0 - 8.7-11.3 HB3 GLN 47 - HE2 LYS 49 far 0 97 0 - 8.8-11.5 HB ILE 17 - HE2 LYS 62 far 0 100 0 - 9.7-30.3 HD2 LYS 22 - HE2 LYS 39 far 0 48 0 - 10.0-13.6 Violated in 0 structures by 0.00 A. Peak 3008 from cnoeabs.peaks (1.78, 2.98, 42.17 ppm; 4.06 A): 4 out of 13 assignments used, quality = 1.00: * HB3 LYS 60 + HE3 LYS 60 OK 99 100 100 99 2.3-4.9 4.9=56, 2978/3.0=23...(47) HB3 LYS 60 + HE2 LYS 60 OK 99 100 100 99 2.0-5.1 4.9=56, 2978/3.0=23...(47) HB3 LYS 62 + HE2 LYS 62 OK 99 100 100 99 2.6-4.8 4.6=68, 2988/3.0=21...(49) HB3 LYS 62 + HE3 LYS 62 OK 98 99 100 99 2.0-5.2 4.6=68, 2988/3.0=21...(49) HB2 LYS 58 - HE3 LYS 60 poor 15 73 20 - 2.8-12.2 HB3 LYS 62 - HE3 LYS 60 far 10 100 10 - 3.7-12.7 HB2 LYS 58 - HE2 LYS 60 far 7 73 10 - 3.6-12.1 HB2 LYS 58 - HE2 LYS 62 far 7 72 10 - 4.1-17.6 HB2 LYS 58 - HE3 LYS 62 far 7 71 10 - 4.2-17.7 HB3 LYS 60 - HE2 LYS 62 far 5 100 5 - 3.2-11.2 HB3 LYS 62 - HE2 LYS 60 far 5 100 5 - 4.1-12.4 HB3 LYS 60 - HE3 LYS 62 far 5 99 5 - 3.9-11.6 HB2 PRO 32 - HE2 LYS 39 far 0 45 0 - 8.7-11.7 Violated in 0 structures by 0.00 A. Peak 3009 from cnoeabs.peaks (1.43, 2.98, 42.17 ppm; 3.24 A): 12 out of 38 assignments used, quality = 1.00: * HG2 LYS 60 + HE3 LYS 60 OK 96 100 100 96 2.1-4.2 3.9=56, 3.0/2997=10...(54) HG3 LYS 60 + HE3 LYS 60 OK 96 100 100 96 2.1-3.7 3.9=56, 3.0/2997=10...(54) HG2 LYS 60 + HE2 LYS 60 OK 96 100 100 96 2.4-4.1 3.9=56, 3.0/2997=10...(54) HG3 LYS 60 + HE2 LYS 60 OK 96 100 100 96 2.1-4.2 3.9=56, 3.0/2997=10...(54) HG3 LYS 62 + HE2 LYS 62 OK 94 99 100 95 2.2-4.2 3.7=65, 2.9/3143=10...(44) HG2 LYS 62 + HE2 LYS 62 OK 94 99 100 95 2.5-3.8 3.7=65, 2.9/3143=10...(44) HG2 LYS 62 + HE3 LYS 62 OK 93 98 100 95 2.1-4.2 3.7=65, 2.9/3143=10...(44) HG3 LYS 62 + HE3 LYS 62 OK 93 98 100 95 2.5-3.8 3.7=65, 2.9/3143=10...(44) HG3 LYS 49 + HE2 LYS 49 OK 60 61 100 98 2.2-4.2 3.6=72, 1.8/2455=25...(27) HG3 LYS 49 + HE3 LYS 49 OK 60 61 100 98 2.1-4.2 3.6=72, 1.8/2455=25...(27) HG2 LYS 39 + HE3 LYS 39 OK 56 58 100 96 2.0-3.2 3.6=72, ~2050=15...(40) HG2 LYS 39 + HE2 LYS 39 OK 56 58 100 96 2.7-3.9 3.6=72, ~2050=15...(40) HG3 LYS 58 - HE2 LYS 62 far 6 62 10 - 3.4-19.0 HG3 LYS 58 - HE3 LYS 62 far 6 61 10 - 4.2-19.3 HG3 LYS 62 - HE3 LYS 60 far 5 99 5 - 4.5-12.6 HG3 ARG 56 - HE2 LYS 60 far 3 65 5 - 4.7-14.0 HG3 LYS 58 - HE3 LYS 60 far 3 63 5 - 4.5-14.3 HG3 LYS 58 - HE2 LYS 60 far 0 63 0 - 4.9-14.3 HG3 ARG 56 - HE3 LYS 60 far 0 65 0 - 5.2-14.7 HG2 LYS 62 - HE3 LYS 60 far 0 99 0 - 5.2-13.8 HG3 LYS 62 - HE2 LYS 60 far 0 99 0 - 5.2-12.5 HG3 LYS 60 - HE2 LYS 62 far 0 100 0 - 5.5-12.7 HG2 LYS 60 - HE3 LYS 62 far 0 99 0 - 5.5-12.7 HG2 LYS 62 - HE2 LYS 60 far 0 99 0 - 5.5-13.4 HG3 ARG 56 - HE3 LYS 62 far 0 64 0 - 5.8-18.6 HG3 LYS 60 - HE3 LYS 62 far 0 99 0 - 5.8-13.7 HG2 LYS 60 - HE2 LYS 62 far 0 100 0 - 5.9-13.0 HG3 ARG 56 - HE2 LYS 62 far 0 65 0 - 7.3-18.1 HB2 LYS 27 - HE3 LYS 62 far 0 97 0 - 7.9-21.0 HB2 LYS 27 - HE2 LYS 60 far 0 99 0 - 7.9-16.7 HG3 ARG 56 - HE3 LYS 49 far 0 64 0 - 8.2-14.6 HB2 LYS 27 - HE3 LYS 60 far 0 99 0 - 8.3-17.4 HB2 LYS 27 - HE3 LYS 49 far 0 97 0 - 8.6-15.4 HG3 ARG 56 - HE2 LYS 49 far 0 64 0 - 9.5-15.4 HB2 LYS 27 - HE2 LYS 62 far 0 98 0 - 9.6-20.6 HB3 LEU 41 - HE3 LYS 39 far 0 59 0 - 9.6-11.5 HB3 LEU 41 - HE2 LYS 39 far 0 59 0 - 9.8-12.3 HB2 LYS 27 - HE2 LYS 49 far 0 97 0 - 9.8-14.1 Violated in 0 structures by 0.00 A. Peak 3010 from cnoeabs.peaks (1.43, 2.98, 42.17 ppm; 3.24 A): 12 out of 38 assignments used, quality = 1.00: HG2 LYS 60 + HE3 LYS 60 OK 96 100 100 96 2.1-4.2 3.9=56, 3.0/2997=10...(54) * HG3 LYS 60 + HE3 LYS 60 OK 96 100 100 96 2.1-3.7 3.9=56, 3.0/2997=10...(54) HG3 LYS 60 + HE2 LYS 60 OK 96 100 100 96 2.1-4.2 3.9=56, 3.0/2997=10...(54) HG2 LYS 60 + HE2 LYS 60 OK 96 100 100 96 2.4-4.1 3.9=56, 3.0/2997=10...(54) HG3 LYS 62 + HE2 LYS 62 OK 94 99 100 95 2.2-4.2 3.7=65, 2.9/3143=10...(44) HG2 LYS 62 + HE2 LYS 62 OK 94 99 100 95 2.5-3.8 3.7=65, 2.9/3143=10...(44) HG2 LYS 62 + HE3 LYS 62 OK 93 98 100 95 2.1-4.2 3.7=65, 2.9/3143=10...(44) HG3 LYS 62 + HE3 LYS 62 OK 93 98 100 95 2.5-3.8 3.7=65, 2.9/3143=10...(44) HG3 LYS 49 + HE2 LYS 49 OK 57 58 100 98 2.2-4.2 3.6=72, 1.8/2455=25...(27) HG3 LYS 49 + HE3 LYS 49 OK 57 58 100 98 2.1-4.2 3.6=72, 1.8/2455=25...(27) HG2 LYS 39 + HE3 LYS 39 OK 56 58 100 96 2.0-3.2 3.6=72, ~2050=15...(40) HG2 LYS 39 + HE2 LYS 39 OK 56 58 100 96 2.7-3.9 3.6=72, ~2050=15...(40) HG3 LYS 58 - HE2 LYS 62 far 6 65 10 - 3.4-19.0 HG3 LYS 58 - HE3 LYS 62 far 6 64 10 - 4.2-19.3 HG3 LYS 62 - HE3 LYS 60 far 5 99 5 - 4.5-12.6 HG3 ARG 56 - HE2 LYS 60 far 3 68 5 - 4.7-14.0 HG3 LYS 58 - HE3 LYS 60 far 3 65 5 - 4.5-14.3 HG3 LYS 58 - HE2 LYS 60 far 0 65 0 - 4.9-14.3 HG3 ARG 56 - HE3 LYS 60 far 0 68 0 - 5.2-14.7 HG2 LYS 62 - HE3 LYS 60 far 0 99 0 - 5.2-13.8 HG3 LYS 62 - HE2 LYS 60 far 0 99 0 - 5.2-12.5 HG3 LYS 60 - HE2 LYS 62 far 0 100 0 - 5.5-12.7 HG2 LYS 60 - HE3 LYS 62 far 0 99 0 - 5.5-12.7 HG2 LYS 62 - HE2 LYS 60 far 0 99 0 - 5.5-13.4 HG3 ARG 56 - HE3 LYS 62 far 0 66 0 - 5.8-18.6 HG3 LYS 60 - HE3 LYS 62 far 0 99 0 - 5.8-13.7 HG2 LYS 60 - HE2 LYS 62 far 0 100 0 - 5.9-13.0 HG3 ARG 56 - HE2 LYS 62 far 0 67 0 - 7.3-18.1 HB2 LYS 27 - HE3 LYS 62 far 0 97 0 - 7.9-21.0 HB2 LYS 27 - HE2 LYS 60 far 0 98 0 - 7.9-16.7 HG3 ARG 56 - HE3 LYS 49 far 0 66 0 - 8.2-14.6 HB2 LYS 27 - HE3 LYS 60 far 0 98 0 - 8.3-17.4 HB2 LYS 27 - HE3 LYS 49 far 0 97 0 - 8.6-15.4 HG3 ARG 56 - HE2 LYS 49 far 0 66 0 - 9.5-15.4 HB2 LYS 27 - HE2 LYS 62 far 0 97 0 - 9.6-20.6 HB3 LEU 41 - HE3 LYS 39 far 0 59 0 - 9.6-11.5 HB3 LEU 41 - HE2 LYS 39 far 0 59 0 - 9.8-12.3 HB2 LYS 27 - HE2 LYS 49 far 0 97 0 - 9.8-14.1 Violated in 0 structures by 0.00 A. Peak 3011 from cnoeabs.peaks (1.67, 2.98, 42.17 ppm; 2.55 A): 12 out of 30 assignments used, quality = 1.00: HD2 LYS 62 + HE2 LYS 62 OK 85 100 100 85 2.4-3.0 3.0=63, 3130/1.8=6...(33) HD3 LYS 62 + HE2 LYS 62 OK 85 100 100 86 2.3-3.0 3.0=63, 3130/1.8=6...(33) HD2 LYS 62 + HE3 LYS 62 OK 85 99 100 86 2.3-3.0 3.0=63, 3130/1.8=6...(33) HD3 LYS 62 + HE3 LYS 62 OK 85 99 100 86 2.4-3.0 3.0=63, 3140/1.8=6...(33) HD2 LYS 60 + HE2 LYS 60 OK 82 100 100 82 2.5-3.0 3.0=62, 3130/1.8=6...(34) * HD2 LYS 60 + HE3 LYS 60 OK 82 100 100 82 2.3-3.0 3.0=62, 3130/1.8=6...(34) HD3 LYS 60 + HE3 LYS 60 OK 82 100 100 82 2.5-3.0 3.0=62, 3130/1.8=6...(34) HD3 LYS 60 + HE2 LYS 60 OK 82 100 100 82 2.3-3.0 3.0=62, 3130/1.8=6...(34) HD3 LYS 39 + HE2 LYS 39 OK 30 39 100 76 2.2-2.5 3.0=62, 2040/3.6=10...(14) HD2 LYS 39 + HE2 LYS 39 OK 30 39 100 76 2.4-3.0 3.0=62, 2040/3.6=10...(14) HD2 LYS 39 + HE3 LYS 39 OK 30 39 100 76 2.4-3.0 3.0=62, 2040/3.6=10...(14) HD3 LYS 39 + HE3 LYS 39 OK 30 39 100 76 2.7-3.0 3.0=62, 2040/3.6=10...(14) HB2 LEU 64 - HE2 LYS 62 far 10 96 10 - 3.1-12.6 HB2 LEU 64 - HE3 LYS 62 far 5 95 5 - 3.8-12.8 HG13 ILE 50 - HE3 LYS 49 far 4 81 5 - 4.0-8.8 HG13 ILE 50 - HE2 LYS 49 far 0 81 0 - 4.1-8.9 HD3 LYS 60 - HE2 LYS 62 far 0 100 0 - 4.8-13.3 HD2 LYS 62 - HE3 LYS 60 far 0 100 0 - 5.0-14.6 HD2 LYS 60 - HE2 LYS 62 far 0 100 0 - 5.0-13.0 HD2 LYS 62 - HE2 LYS 60 far 0 100 0 - 5.2-14.4 HD3 LYS 62 - HE2 LYS 60 far 0 100 0 - 6.0-14.0 HD2 LYS 60 - HE3 LYS 62 far 0 99 0 - 6.0-13.1 HD3 LYS 62 - HE3 LYS 60 far 0 100 0 - 6.0-13.3 HD3 LYS 60 - HE3 LYS 62 far 0 99 0 - 6.2-14.2 HD3 LYS 42 - HE3 LYS 39 far 0 52 0 - 6.4-8.5 HD3 LYS 42 - HE2 LYS 39 far 0 52 0 - 7.5-10.1 HB2 LEU 64 - HE2 LYS 60 far 0 96 0 - 8.2-17.7 HB2 LEU 37 - HE3 LYS 39 far 0 56 0 - 8.3-10.3 HB2 LEU 37 - HE2 LYS 39 far 0 56 0 - 8.3-10.1 HB2 LEU 64 - HE3 LYS 60 far 0 97 0 - 9.1-18.6 Violated in 0 structures by 0.00 A. Peak 3012 from cnoeabs.peaks (1.67, 2.98, 42.17 ppm; 2.93 A): 12 out of 30 assignments used, quality = 1.00: HD2 LYS 62 + HE2 LYS 62 OK 99 100 100 99 2.4-3.0 3.0=96, 3140/1.8=8...(43) HD3 LYS 62 + HE2 LYS 62 OK 99 100 100 99 2.3-3.0 3.0=96, 3140/1.8=8...(43) * HD3 LYS 60 + HE3 LYS 60 OK 98 100 100 98 2.5-3.0 3.0=95, 3140/1.8=8...(36) HD3 LYS 60 + HE2 LYS 60 OK 98 100 100 98 2.3-3.0 3.0=95, 3140/1.8=8...(36) HD2 LYS 62 + HE3 LYS 62 OK 98 99 100 99 2.3-3.0 3.0=96, 3140/1.8=8...(43) HD2 LYS 60 + HE3 LYS 60 OK 98 100 100 98 2.3-3.0 3.0=95, 3130/1.8=8...(36) HD3 LYS 62 + HE3 LYS 62 OK 98 99 100 99 2.4-3.0 3.0=96, 3140/1.8=8...(43) HD2 LYS 60 + HE2 LYS 60 OK 98 100 100 98 2.5-3.0 3.0=95, 3130/1.8=8...(36) HD3 LYS 39 + HE2 LYS 39 OK 35 36 100 97 2.2-2.5 3.0=94, 2040/3.6=12...(21) HD2 LYS 39 + HE2 LYS 39 OK 35 36 100 97 2.4-3.0 3.0=94, 2040/3.6=12...(21) HD2 LYS 39 + HE3 LYS 39 OK 35 36 100 97 2.4-3.0 3.0=94, 2040/3.6=12...(21) HD3 LYS 39 + HE3 LYS 39 OK 35 36 100 97 2.7-3.0 3.0=94, 2040/3.6=12...(21) HG13 ILE 50 - HE2 LYS 49 poor 19 76 25 - 4.1-8.9 HB2 LEU 64 - HE2 LYS 62 far 10 97 10 - 3.1-12.6 HB2 LEU 64 - HE3 LYS 62 far 5 97 5 - 3.8-12.8 HG13 ILE 50 - HE3 LYS 49 far 4 76 5 - 4.0-8.8 HD3 LYS 60 - HE2 LYS 62 far 0 100 0 - 4.8-13.3 HD2 LYS 62 - HE3 LYS 60 far 0 100 0 - 5.0-14.6 HD2 LYS 60 - HE2 LYS 62 far 0 100 0 - 5.0-13.0 HD2 LYS 62 - HE2 LYS 60 far 0 100 0 - 5.2-14.4 HD3 LYS 62 - HE2 LYS 60 far 0 100 0 - 6.0-14.0 HD2 LYS 60 - HE3 LYS 62 far 0 99 0 - 6.0-13.1 HD3 LYS 62 - HE3 LYS 60 far 0 100 0 - 6.0-13.3 HD3 LYS 60 - HE3 LYS 62 far 0 99 0 - 6.2-14.2 HD3 LYS 42 - HE3 LYS 39 far 0 54 0 - 6.4-8.5 HD3 LYS 42 - HE2 LYS 39 far 0 54 0 - 7.5-10.1 HB2 LEU 64 - HE2 LYS 60 far 0 98 0 - 8.2-17.7 HB2 LEU 37 - HE3 LYS 39 far 0 57 0 - 8.3-10.3 HB2 LEU 37 - HE2 LYS 39 far 0 57 0 - 8.3-10.1 HB2 LEU 64 - HE3 LYS 60 far 0 98 0 - 9.1-18.6 Violated in 0 structures by 0.00 A. 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): 2 out of 3 assignments used, quality = 1.00: * H ARG 61 + HA ARG 61 OK 100 100 100 100 2.8-2.9 3.0=100 H ARG 61 + HA LYS 62 OK 44 62 90 80 4.6-5.8 811/3032=22, ~3609=20...(13) H LEU 68 - HA ARG 61 far 0 57 0 - 8.8-18.3 Violated in 0 structures by 0.00 A. 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 9 assignments used, quality = 1.00: * HB2 ARG 61 + HA ARG 61 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LYS 62 + HA LYS 62 OK 49 49 100 100 2.3-3.0 3.0=100 HB2 LYS 62 - HA ARG 61 poor 18 89 20 - 4.1-6.5 HB2 LYS 60 - HA ARG 61 far 7 73 10 - 4.2-6.0 HB2 ARG 61 - HA LYS 62 far 6 62 10 - 4.3-5.8 HB2 LYS 58 - HA LYS 62 far 0 58 0 - 4.9-14.3 HB2 LYS 60 - HA LYS 62 far 0 38 0 - 5.0-9.0 HB2 LYS 58 - HA ARG 61 far 0 98 0 - 5.6-10.8 HB3 MET 11 - HA LYS 62 far 0 38 0 - 9.9-30.3 Violated in 0 structures by 0.00 A. Peak 3018 from cnoeabs.peaks (1.73, 4.24, 56.37 ppm; 3.21 A): 2 out of 6 assignments used, quality = 1.00: * HB3 ARG 61 + HA ARG 61 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 ARG 61 + HA LYS 62 OK 35 62 65 87 4.0-6.0 328/2.9=43, 3032=24...(18) HB2 ARG 56 - HA LYS 62 far 9 60 15 - 2.6-15.1 HB2 ARG 56 - HA ARG 61 far 0 99 0 - 5.4-12.6 HB3 LYS 58 - HA LYS 62 far 0 61 0 - 5.6-14.7 HB3 LYS 58 - HA ARG 61 far 0 100 0 - 5.6-11.0 Violated in 0 structures by 0.00 A. Peak 3019 from cnoeabs.peaks (1.60, 4.24, 56.37 ppm; 3.54 A): 2 out of 8 assignments used, quality = 1.00: * HG2 ARG 61 + HA ARG 61 OK 98 100 100 98 2.2-4.2 4.0=68, 3027/3.0=34...(15) HG3 ARG 61 + HA ARG 61 OK 98 100 100 98 2.2-4.2 4.0=68, 3027/3.0=34...(15) HG2 ARG 61 - HA LYS 62 far 9 62 15 - 3.9-6.9 HG3 ARG 61 - HA LYS 62 far 6 62 10 - 4.0-7.1 HB3 LEU 64 - HA LYS 62 far 0 43 0 - 5.8-9.0 HB3 LEU 64 - HA ARG 61 far 0 81 0 - 7.8-12.7 HG3 ARG 21 - HA LYS 62 far 0 59 0 - 8.6-26.3 HG3 ARG 21 - HA ARG 61 far 0 99 0 - 9.2-24.5 Violated in 0 structures by 0.00 A. Peak 3020 from cnoeabs.peaks (1.59, 4.24, 56.37 ppm; 3.54 A): 2 out of 8 assignments used, quality = 1.00: * HG3 ARG 61 + HA ARG 61 OK 98 100 100 98 2.2-4.2 4.0=68, 3028/3.0=34...(15) HG2 ARG 61 + HA ARG 61 OK 98 100 100 98 2.2-4.2 4.0=68, 3028/3.0=34...(15) HG2 ARG 61 - HA LYS 62 far 9 62 15 - 3.9-6.9 HG3 ARG 61 - HA LYS 62 far 6 62 10 - 4.0-7.1 HB3 LEU 64 - HA LYS 62 far 0 41 0 - 5.8-9.0 HB3 LEU 64 - HA ARG 61 far 0 78 0 - 7.8-12.7 HG3 ARG 21 - HA LYS 62 far 0 58 0 - 8.6-26.3 HG3 ARG 21 - HA ARG 61 far 0 98 0 - 9.2-24.5 Violated in 0 structures by 0.00 A. Peak 3021 from cnoeabs.peaks (3.14, 4.24, 56.37 ppm; 4.13 A): 2 out of 8 assignments used, quality = 1.00: * HD2 ARG 61 + HA ARG 61 OK 97 100 100 97 2.0-4.9 5.4=46, 3.0/3019=36...(13) HD3 ARG 61 + HA ARG 61 OK 97 100 100 97 3.2-5.1 5.4=46, 3.0/3019=36...(13) HD2 ARG 61 - HA LYS 62 poor 15 62 25 - 3.7-8.1 HD3 ARG 61 - HA LYS 62 far 6 62 10 - 3.4-8.3 HB3 TYR 57 - HA LYS 62 far 0 37 0 - 5.6-17.3 HB2 PHE 23 - HA LYS 62 far 0 54 0 - 6.3-19.7 HB2 PHE 23 - HA ARG 61 far 0 95 0 - 6.5-17.1 HB3 TYR 57 - HA ARG 61 far 0 71 0 - 8.8-14.4 Violated in 1 structures by 0.00 A. Peak 3022 from cnoeabs.peaks (3.14, 4.24, 56.37 ppm; 4.13 A): 2 out of 8 assignments used, quality = 1.00: HD2 ARG 61 + HA ARG 61 OK 97 100 100 97 2.0-4.9 5.4=46, 3.0/3019=36...(13) * HD3 ARG 61 + HA ARG 61 OK 97 100 100 97 3.2-5.1 5.4=46, 3.0/3019=36...(13) HD2 ARG 61 - HA LYS 62 poor 15 62 25 - 3.7-8.1 HD3 ARG 61 - HA LYS 62 far 6 62 10 - 3.4-8.3 HB3 TYR 57 - HA LYS 62 far 0 37 0 - 5.6-17.3 HB2 PHE 23 - HA LYS 62 far 0 54 0 - 6.3-19.7 HB2 PHE 23 - HA ARG 61 far 0 95 0 - 6.5-17.1 HB3 TYR 57 - HA ARG 61 far 0 71 0 - 8.8-14.4 Violated in 1 structures by 0.00 A. Peak 3023 from cnoeabs.peaks (8.17, 1.81, 30.54 ppm; 4.56 A): 2 out of 3 assignments used, quality = 1.00: * H ARG 61 + HB2 ARG 61 OK 100 100 100 100 2.2-3.8 4.0=100 H ALA 35 + HB2 PRO 32 OK 31 32 100 98 5.2-5.9 980/2.3=62, ~3729=51...(8) H LEU 68 - HB2 ARG 61 far 0 57 0 - 7.7-20.6 Violated in 0 structures by 0.00 A. Peak 3024 from cnoeabs.peaks (4.24, 1.81, 30.54 ppm; 3.60 A): 2 out of 6 assignments used, quality = 1.00: * HA ARG 61 + HB2 ARG 61 OK 100 100 100 100 2.3-3.0 3.0=100 HA LYS 62 + HB2 ARG 61 OK 44 90 55 88 4.3-5.8 ~328=33, 2.9/327=28...(17) HA LYS 60 - HB2 ARG 61 poor 12 81 30 50 4.4-6.6 3.6/810=28, 3032/1.8=8...(13) HA THR 59 - HB2 ARG 61 far 4 87 5 - 4.3-9.5 HB3 SER 30 - HB2 PRO 32 far 3 34 10 - 4.7-7.2 HA GLU 20 - HB2 ARG 61 far 0 78 0 - 6.5-18.9 Violated in 0 structures by 0.00 A. Peak 3025 from cnoeabs.peaks (1.81, 1.81, 30.54 ppm; diagonal): 2 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 5 assignments used, quality = 1.00: * HB3 ARG 61 + HB2 ARG 61 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 ARG 56 - HB2 ARG 61 far 5 99 5 - 3.7-14.9 HB3 LYS 58 - HB2 ARG 61 far 0 100 0 - 7.5-11.9 HB3 LEU 37 - HB2 PRO 32 far 0 45 0 - 8.6-11.3 HG2 LYS 22 - HB2 PRO 32 far 0 40 0 - 9.3-12.9 Violated in 0 structures by 0.00 A. Peak 3027 from cnoeabs.peaks (1.60, 1.81, 30.54 ppm; 2.85 A): 2 out of 6 assignments used, quality = 1.00: * HG2 ARG 61 + HB2 ARG 61 OK 99 100 100 99 2.2-3.0 2.9=98, 3019/3.0=18...(10) HG3 ARG 61 + HB2 ARG 61 OK 99 100 100 99 2.3-3.0 2.9=98, 3019/3.0=18...(10) HG3 ARG 21 - HB2 ARG 61 far 0 99 0 - 8.2-24.9 HB3 LEU 64 - HB2 ARG 61 far 0 81 0 - 8.3-14.1 HG LEU 68 - HB2 ARG 61 far 0 85 0 - 8.5-23.3 HG3 ARG 34 - HB2 PRO 32 far 0 43 0 - 9.3-10.3 Violated in 0 structures by 0.00 A. Peak 3028 from cnoeabs.peaks (1.59, 1.81, 30.54 ppm; 2.85 A): 2 out of 6 assignments used, quality = 1.00: * HG3 ARG 61 + HB2 ARG 61 OK 99 100 100 99 2.3-3.0 2.9=98, 3020/3.0=18...(10) HG2 ARG 61 + HB2 ARG 61 OK 99 100 100 99 2.2-3.0 2.9=98, 3020/3.0=18...(10) HG3 ARG 21 - HB2 ARG 61 far 0 98 0 - 8.2-24.9 HB3 LEU 64 - HB2 ARG 61 far 0 78 0 - 8.3-14.1 HG LEU 68 - HB2 ARG 61 far 0 83 0 - 8.5-23.3 HG3 ARG 34 - HB2 PRO 32 far 0 43 0 - 9.3-10.3 Violated in 0 structures by 0.00 A. Peak 3031 from cnoeabs.peaks (8.17, 1.73, 30.54 ppm; 4.60 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 61 + HB3 ARG 61 OK 100 100 100 100 2.2-3.7 4.0=100 H LEU 68 - HB3 ARG 61 far 0 57 0 - 8.3-19.9 Violated in 0 structures by 0.00 A. Peak 3032 from cnoeabs.peaks (4.24, 1.73, 30.54 ppm; 3.70 A): 3 out of 5 assignments used, quality = 1.00: * HA ARG 61 + HB3 ARG 61 OK 100 100 100 100 2.4-3.0 3.0=100 HA LYS 62 + HB3 ARG 61 OK 68 90 80 95 4.0-6.0 2.9/328=57, 3018=26...(20) HA LYS 60 + HB3 ARG 61 OK 21 81 40 64 4.3-6.6 3.6/811=49, 3024/1.8=6...(12) HA THR 59 - HB3 ARG 61 far 0 87 0 - 5.4-9.6 HA GLU 20 - HB3 ARG 61 far 0 78 0 - 6.3-19.8 Violated in 0 structures by 0.00 A. Peak 3033 from cnoeabs.peaks (1.81, 1.73, 30.54 ppm; 2.40 A): 1 out of 4 assignments used, quality = 1.00: * HB2 ARG 61 + HB3 ARG 61 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LYS 60 - HB3 ARG 61 far 0 73 0 - 3.9-7.2 HB2 LYS 62 - HB3 ARG 61 far 0 89 0 - 4.6-7.0 HB2 LYS 58 - HB3 ARG 61 far 0 98 0 - 6.1-12.1 Violated in 0 structures by 0.00 A. 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 5 assignments used, quality = 1.00: * HG2 ARG 61 + HB3 ARG 61 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 ARG 61 + HB3 ARG 61 OK 100 100 100 100 2.3-3.0 2.9=100 HB3 LEU 64 - HB3 ARG 61 far 0 81 0 - 8.2-13.0 HG LEU 68 - HB3 ARG 61 far 0 85 0 - 9.1-22.4 HG3 ARG 21 - HB3 ARG 61 far 0 99 0 - 9.3-25.6 Violated in 0 structures by 0.00 A. Peak 3036 from cnoeabs.peaks (1.59, 1.73, 30.54 ppm; 2.88 A): 2 out of 5 assignments used, quality = 1.00: * HG3 ARG 61 + HB3 ARG 61 OK 100 100 100 100 2.3-3.0 2.9=100 HG2 ARG 61 + HB3 ARG 61 OK 100 100 100 100 2.3-3.0 2.9=100 HB3 LEU 64 - HB3 ARG 61 far 0 78 0 - 8.2-13.0 HG LEU 68 - HB3 ARG 61 far 0 83 0 - 9.1-22.4 HG3 ARG 21 - HB3 ARG 61 far 0 98 0 - 9.3-25.6 Violated in 0 structures by 0.00 A. Peak 3037 from cnoeabs.peaks (3.14, 1.73, 30.54 ppm; 4.02 A): 2 out of 4 assignments used, quality = 1.00: HD3 ARG 61 + HB3 ARG 61 OK 100 100 100 100 2.1-4.2 3.5=100 * HD2 ARG 61 + HB3 ARG 61 OK 100 100 100 100 2.1-4.2 3.5=100 HB2 PHE 23 - HB3 ARG 61 far 0 95 0 - 7.6-18.9 HB3 TYR 57 - HB3 ARG 61 far 0 71 0 - 7.7-15.6 Violated in 0 structures by 0.00 A. Peak 3038 from cnoeabs.peaks (3.14, 1.73, 30.54 ppm; 4.02 A): 2 out of 4 assignments used, quality = 1.00: * HD3 ARG 61 + HB3 ARG 61 OK 100 100 100 100 2.1-4.2 3.5=100 HD2 ARG 61 + HB3 ARG 61 OK 100 100 100 100 2.1-4.2 3.5=100 HB2 PHE 23 - HB3 ARG 61 far 0 95 0 - 7.6-18.9 HB3 TYR 57 - HB3 ARG 61 far 0 71 0 - 7.7-15.6 Violated in 0 structures by 0.00 A. Peak 3039 from cnoeabs.peaks (8.17, 1.60, 27.31 ppm; 4.74 A): 2 out of 4 assignments used, quality = 1.00: * H ARG 61 + HG2 ARG 61 OK 100 100 100 100 2.2-4.7 4.9=89, 811/2.9=85...(13) H ARG 61 + HG3 ARG 61 OK 100 100 100 100 2.4-4.5 4.9=89, 811/2.9=85...(14) H LEU 68 - HG2 ARG 61 far 0 57 0 - 7.3-20.1 H LEU 68 - HG3 ARG 61 far 0 57 0 - 9.0-19.7 Violated in 0 structures by 0.00 A. Peak 3040 from cnoeabs.peaks (4.24, 1.60, 27.31 ppm; 4.24 A): 5 out of 13 assignments used, quality = 1.00: * HA ARG 61 + HG2 ARG 61 OK 100 100 100 100 2.2-4.2 4.0=100 HA ARG 61 + HG3 ARG 61 OK 100 100 100 100 2.2-4.2 4.0=100 HA LYS 60 + HG3 ARG 61 OK 24 80 70 43 4.0-7.1 3.6/812=29, 3032/2.9=8...(6) HA LYS 60 + HG2 ARG 61 OK 23 81 65 43 3.5-7.1 3.6/812=29, 3032/2.9=8...(6) HA LYS 62 + HG3 ARG 61 OK 21 90 25 93 4.0-7.1 ~328=34, 3032/2.9=26...(13) HA LYS 62 - HG2 ARG 61 poor 18 90 20 - 3.9-6.9 HA THR 59 - HG3 ARG 61 far 9 87 10 - 5.3-9.6 HA THR 59 - HG2 ARG 61 far 4 87 5 - 5.1-9.8 HA GLU 20 - HG3 ARG 61 far 4 78 5 - 5.7-19.9 HA GLU 20 - HG3 ARG 21 far 0 71 0 - 5.9-7.6 HA GLU 20 - HG2 ARG 61 far 0 78 0 - 6.8-18.9 HA LYS 62 - HG3 ARG 21 far 0 83 0 - 8.6-26.3 HA ARG 61 - HG3 ARG 21 far 0 96 0 - 9.2-24.5 Violated in 0 structures by 0.00 A. Peak 3041 from cnoeabs.peaks (1.81, 1.60, 27.31 ppm; 2.90 A): 2 out of 13 assignments used, quality = 1.00: * HB2 ARG 61 + HG2 ARG 61 OK 100 100 100 100 2.2-3.0 2.9=100 HB2 ARG 61 + HG3 ARG 61 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 LYS 62 - HG2 ARG 61 far 4 89 5 - 2.9-8.1 HB2 LYS 60 - HG3 ARG 61 far 4 73 5 - 4.0-7.8 HB ILE 17 - HG3 ARG 21 far 3 58 5 - 4.4-7.5 HB2 LYS 62 - HG3 ARG 61 far 0 89 0 - 4.5-8.5 HB2 LYS 60 - HG2 ARG 61 far 0 73 0 - 4.7-8.2 HD2 LYS 22 - HG3 ARG 21 far 0 93 0 - 5.2-8.4 HB2 LYS 58 - HG3 ARG 61 far 0 98 0 - 7.0-13.6 HB2 LYS 58 - HG2 ARG 61 far 0 98 0 - 8.1-12.4 HB2 ARG 61 - HG3 ARG 21 far 0 96 0 - 8.2-24.9 HB2 LYS 62 - HG3 ARG 21 far 0 81 0 - 9.0-28.5 HB ILE 17 - HG3 ARG 61 far 0 65 0 - 9.6-27.2 Violated in 0 structures by 0.00 A. Peak 3042 from cnoeabs.peaks (1.73, 1.60, 27.31 ppm; 3.14 A): 2 out of 9 assignments used, quality = 1.00: * HB3 ARG 61 + HG2 ARG 61 OK 100 100 100 100 2.3-3.0 2.9=100 HB3 ARG 61 + HG3 ARG 61 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 ARG 56 - HG2 ARG 61 far 0 99 0 - 5.0-15.6 HB2 ARG 56 - HG3 ARG 61 far 0 99 0 - 5.4-14.9 HG2 LYS 22 - HG3 ARG 21 far 0 87 0 - 6.8-8.8 HB3 LYS 58 - HG3 ARG 61 far 0 100 0 - 7.1-13.8 HB3 LYS 58 - HG2 ARG 61 far 0 100 0 - 8.0-12.9 HB3 ARG 61 - HG3 ARG 21 far 0 96 0 - 9.3-25.6 HB3 LEU 37 - HG3 ARG 21 far 0 95 0 - 10.0-12.3 Violated in 0 structures by 0.00 A. 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 11 assignments used, quality = 1.00: HD3 ARG 61 + HG2 ARG 61 OK 100 100 100 100 2.3-3.0 3.0=100 * HD2 ARG 61 + HG2 ARG 61 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 ARG 61 + HG3 ARG 61 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 ARG 61 + HG3 ARG 61 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 TYR 57 - HG3 ARG 61 far 0 71 0 - 6.5-15.7 HB2 PHE 23 - HG3 ARG 61 far 0 94 0 - 7.1-18.9 HB2 PHE 23 - HG3 ARG 21 far 0 87 0 - 7.2-9.2 HB3 TYR 57 - HG2 ARG 61 far 0 71 0 - 8.1-16.8 HB2 PHE 23 - HG2 ARG 61 far 0 95 0 - 8.2-18.4 HD2 ARG 61 - HG3 ARG 21 far 0 96 0 - 9.0-27.0 HD3 ARG 61 - HG3 ARG 21 far 0 96 0 - 9.4-26.0 Violated in 0 structures by 0.00 A. Peak 3046 from cnoeabs.peaks (3.14, 1.60, 27.31 ppm; 3.81 A): 4 out of 11 assignments used, quality = 1.00: * HD3 ARG 61 + HG2 ARG 61 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 ARG 61 + HG2 ARG 61 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 ARG 61 + HG3 ARG 61 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 ARG 61 + HG3 ARG 61 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 TYR 57 - HG3 ARG 61 far 0 71 0 - 6.5-15.7 HB2 PHE 23 - HG3 ARG 61 far 0 94 0 - 7.1-18.9 HB2 PHE 23 - HG3 ARG 21 far 0 87 0 - 7.2-9.2 HB3 TYR 57 - HG2 ARG 61 far 0 71 0 - 8.1-16.8 HB2 PHE 23 - HG2 ARG 61 far 0 95 0 - 8.2-18.4 HD2 ARG 61 - HG3 ARG 21 far 0 96 0 - 9.0-27.0 HD3 ARG 61 - HG3 ARG 21 far 0 96 0 - 9.4-26.0 Violated in 0 structures by 0.00 A. Peak 3047 from cnoeabs.peaks (8.17, 1.59, 27.31 ppm; 4.74 A): 2 out of 4 assignments used, quality = 1.00: * H ARG 61 + HG3 ARG 61 OK 100 100 100 100 2.4-4.5 4.9=89, 811/2.9=85...(14) H ARG 61 + HG2 ARG 61 OK 100 100 100 100 2.2-4.7 4.9=89, 811/2.9=85...(13) H LEU 68 - HG2 ARG 61 far 0 57 0 - 7.3-20.1 H LEU 68 - HG3 ARG 61 far 0 57 0 - 9.0-19.7 Violated in 0 structures by 0.00 A. Peak 3048 from cnoeabs.peaks (4.24, 1.59, 27.31 ppm; 4.24 A): 5 out of 13 assignments used, quality = 1.00: * HA ARG 61 + HG3 ARG 61 OK 100 100 100 100 2.2-4.2 4.0=100 HA ARG 61 + HG2 ARG 61 OK 100 100 100 100 2.2-4.2 4.0=100 HA LYS 60 + HG3 ARG 61 OK 25 81 70 43 4.0-7.1 3.6/813=29, 3032/2.9=8...(6) HA LYS 60 + HG2 ARG 61 OK 23 80 65 43 3.5-7.1 3.6/813=29, 3032/2.9=8...(6) HA LYS 62 + HG3 ARG 61 OK 21 90 25 93 4.0-7.1 ~328=34, 3032/2.9=26...(13) HA LYS 62 - HG2 ARG 61 poor 18 90 20 - 3.9-6.9 HA THR 59 - HG3 ARG 61 far 9 87 10 - 5.3-9.6 HA THR 59 - HG2 ARG 61 far 4 87 5 - 5.1-9.8 HA GLU 20 - HG3 ARG 61 far 4 78 5 - 5.7-19.9 HA GLU 20 - HG3 ARG 21 far 0 69 0 - 5.9-7.6 HA GLU 20 - HG2 ARG 61 far 0 78 0 - 6.8-18.9 HA LYS 62 - HG3 ARG 21 far 0 81 0 - 8.6-26.3 HA ARG 61 - HG3 ARG 21 far 0 94 0 - 9.2-24.5 Violated in 0 structures by 0.00 A. Peak 3049 from cnoeabs.peaks (1.81, 1.59, 27.31 ppm; 2.90 A): 2 out of 13 assignments used, quality = 1.00: * HB2 ARG 61 + HG3 ARG 61 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 ARG 61 + HG2 ARG 61 OK 100 100 100 100 2.2-3.0 2.9=100 HB2 LYS 62 - HG2 ARG 61 far 4 89 5 - 2.9-8.1 HB2 LYS 60 - HG3 ARG 61 far 4 73 5 - 4.0-7.8 HB ILE 17 - HG3 ARG 21 far 3 57 5 - 4.4-7.5 HB2 LYS 62 - HG3 ARG 61 far 0 89 0 - 4.5-8.5 HB2 LYS 60 - HG2 ARG 61 far 0 73 0 - 4.7-8.2 HD2 LYS 22 - HG3 ARG 21 far 0 91 0 - 5.2-8.4 HB2 LYS 58 - HG3 ARG 61 far 0 98 0 - 7.0-13.6 HB2 LYS 58 - HG2 ARG 61 far 0 98 0 - 8.1-12.4 HB2 ARG 61 - HG3 ARG 21 far 0 94 0 - 8.2-24.9 HB2 LYS 62 - HG3 ARG 21 far 0 79 0 - 9.0-28.5 HB ILE 17 - HG3 ARG 61 far 0 65 0 - 9.6-27.2 Violated in 0 structures by 0.00 A. Peak 3050 from cnoeabs.peaks (1.73, 1.59, 27.31 ppm; 3.14 A): 2 out of 9 assignments used, quality = 1.00: * HB3 ARG 61 + HG3 ARG 61 OK 100 100 100 100 2.3-3.0 2.9=100 HB3 ARG 61 + HG2 ARG 61 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 ARG 56 - HG2 ARG 61 far 0 99 0 - 5.0-15.6 HB2 ARG 56 - HG3 ARG 61 far 0 99 0 - 5.4-14.9 HG2 LYS 22 - HG3 ARG 21 far 0 85 0 - 6.8-8.8 HB3 LYS 58 - HG3 ARG 61 far 0 100 0 - 7.1-13.8 HB3 LYS 58 - HG2 ARG 61 far 0 100 0 - 8.0-12.9 HB3 ARG 61 - HG3 ARG 21 far 0 94 0 - 9.3-25.6 HB3 LEU 37 - HG3 ARG 21 far 0 93 0 - 10.0-12.3 Violated in 0 structures by 0.00 A. 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 11 assignments used, quality = 1.00: * HD2 ARG 61 + HG3 ARG 61 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 ARG 61 + HG3 ARG 61 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 ARG 61 + HG2 ARG 61 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 ARG 61 + HG2 ARG 61 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 TYR 57 - HG3 ARG 61 far 0 71 0 - 6.5-15.7 HB2 PHE 23 - HG3 ARG 61 far 0 95 0 - 7.1-18.9 HB2 PHE 23 - HG3 ARG 21 far 0 85 0 - 7.2-9.2 HB3 TYR 57 - HG2 ARG 61 far 0 71 0 - 8.1-16.8 HB2 PHE 23 - HG2 ARG 61 far 0 94 0 - 8.2-18.4 HD2 ARG 61 - HG3 ARG 21 far 0 94 0 - 9.0-27.0 HD3 ARG 61 - HG3 ARG 21 far 0 94 0 - 9.4-26.0 Violated in 0 structures by 0.00 A. Peak 3054 from cnoeabs.peaks (3.14, 1.59, 27.31 ppm; 3.81 A): 4 out of 11 assignments used, quality = 1.00: HD2 ARG 61 + HG3 ARG 61 OK 100 100 100 100 2.3-3.0 3.0=100 * HD3 ARG 61 + HG3 ARG 61 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 ARG 61 + HG2 ARG 61 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 ARG 61 + HG2 ARG 61 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 TYR 57 - HG3 ARG 61 far 0 71 0 - 6.5-15.7 HB2 PHE 23 - HG3 ARG 61 far 0 95 0 - 7.1-18.9 HB2 PHE 23 - HG3 ARG 21 far 0 85 0 - 7.2-9.2 HB3 TYR 57 - HG2 ARG 61 far 0 71 0 - 8.1-16.8 HB2 PHE 23 - HG2 ARG 61 far 0 94 0 - 8.2-18.4 HD2 ARG 61 - HG3 ARG 21 far 0 94 0 - 9.0-27.0 HD3 ARG 61 - HG3 ARG 21 far 0 94 0 - 9.4-26.0 Violated in 0 structures by 0.00 A. Peak 3056 from cnoeabs.peaks (4.24, 3.14, 43.26 ppm; 4.11 A): 2 out of 10 assignments used, quality = 1.00: * HA ARG 61 + HD2 ARG 61 OK 97 100 100 97 2.0-4.9 3022=49, 3022/1.8=38...(13) HA ARG 61 + HD3 ARG 61 OK 97 100 100 97 3.2-5.1 3022=49, 3022/1.8=38...(13) HA LYS 62 - HD2 ARG 61 poor 18 90 25 81 3.7-8.1 ~328=25, 3032/3.5=22...(12) HA LYS 60 - HD3 ARG 61 poor 16 81 20 - 2.8-8.7 HA LYS 62 - HD3 ARG 61 far 9 90 10 - 3.4-8.3 HA THR 59 - HD2 ARG 61 far 9 87 10 - 5.3-10.8 HA LYS 60 - HD2 ARG 61 poor 6 81 25 31 3.0-8.2 809/6.3=11, 3032/3.5=7...(6) HA THR 59 - HD3 ARG 61 far 4 87 5 - 4.8-10.8 HA GLU 20 - HD3 ARG 61 far 0 78 0 - 6.7-20.6 HA GLU 20 - HD2 ARG 61 far 0 78 0 - 7.4-21.5 Violated in 1 structures by 0.01 A. Peak 3057 from cnoeabs.peaks (1.81, 3.14, 43.26 ppm; 3.71 A): 2 out of 10 assignments used, quality = 1.00: HB2 ARG 61 + HD3 ARG 61 OK 100 100 100 100 2.1-4.2 3.5=100 * HB2 ARG 61 + HD2 ARG 61 OK 100 100 100 100 2.1-3.9 3.5=100 HB2 LYS 60 - HD3 ARG 61 far 11 73 15 - 3.8-9.0 HB2 LYS 62 - HD2 ARG 61 far 9 89 10 - 3.9-9.4 HB2 LYS 60 - HD2 ARG 61 far 7 73 10 - 2.6-8.7 HB2 LYS 62 - HD3 ARG 61 far 4 89 5 - 4.7-9.6 HB2 LYS 58 - HD2 ARG 61 far 0 98 0 - 6.3-13.8 HB2 LYS 58 - HD3 ARG 61 far 0 98 0 - 6.9-14.1 HB ILE 17 - HD2 ARG 61 far 0 65 0 - 9.3-28.6 HB ILE 17 - HD3 ARG 61 far 0 65 0 - 9.5-28.4 Violated in 0 structures by 0.00 A. Peak 3058 from cnoeabs.peaks (1.73, 3.14, 43.26 ppm; 3.69 A): 2 out of 6 assignments used, quality = 1.00: HB3 ARG 61 + HD3 ARG 61 OK 100 100 100 100 2.1-4.2 3.5=100 * HB3 ARG 61 + HD2 ARG 61 OK 100 100 100 100 2.1-4.2 3.5=100 HB2 ARG 56 - HD2 ARG 61 far 0 99 0 - 6.0-16.7 HB3 LYS 58 - HD2 ARG 61 far 0 100 0 - 6.2-14.2 HB2 ARG 56 - HD3 ARG 61 far 0 99 0 - 6.9-15.6 HB3 LYS 58 - HD3 ARG 61 far 0 100 0 - 7.2-14.7 Violated in 0 structures by 0.00 A. Peak 3059 from cnoeabs.peaks (1.60, 3.14, 43.26 ppm; 3.08 A): 4 out of 9 assignments used, quality = 1.00: HG2 ARG 61 + HD3 ARG 61 OK 100 100 100 100 2.3-3.0 3.0=100 * HG2 ARG 61 + HD2 ARG 61 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 ARG 61 + HD2 ARG 61 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 ARG 61 + HD3 ARG 61 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LEU 64 - HD3 ARG 61 far 0 81 0 - 8.7-14.8 HG3 ARG 21 - HD2 ARG 61 far 0 99 0 - 9.0-27.0 HG LEU 68 - HD2 ARG 61 far 0 85 0 - 9.0-23.3 HG3 ARG 21 - HD3 ARG 61 far 0 99 0 - 9.4-26.0 HB3 LEU 64 - HD2 ARG 61 far 0 81 0 - 9.5-14.2 Violated in 0 structures by 0.00 A. Peak 3060 from cnoeabs.peaks (1.59, 3.14, 43.26 ppm; 3.08 A): 4 out of 9 assignments used, quality = 1.00: * HG3 ARG 61 + HD2 ARG 61 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 ARG 61 + HD3 ARG 61 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 ARG 61 + HD3 ARG 61 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 ARG 61 + HD2 ARG 61 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LEU 64 - HD3 ARG 61 far 0 78 0 - 8.7-14.8 HG3 ARG 21 - HD2 ARG 61 far 0 98 0 - 9.0-27.0 HG LEU 68 - HD2 ARG 61 far 0 83 0 - 9.0-23.3 HG3 ARG 21 - HD3 ARG 61 far 0 98 0 - 9.4-26.0 HB3 LEU 64 - HD2 ARG 61 far 0 78 0 - 9.5-14.2 Violated in 0 structures by 0.00 A. 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 10 assignments used, quality = 1.00: HA ARG 61 + HD2 ARG 61 OK 97 100 100 97 2.0-4.9 3022=49, 3022/1.8=38...(13) * HA ARG 61 + HD3 ARG 61 OK 97 100 100 97 3.2-5.1 3022=49, 3022/1.8=38...(13) HA LYS 62 - HD2 ARG 61 poor 18 90 25 81 3.7-8.1 ~328=25, 3032/3.5=22...(12) HA LYS 60 - HD3 ARG 61 poor 16 81 20 - 2.8-8.7 HA LYS 62 - HD3 ARG 61 far 9 90 10 - 3.4-8.3 HA THR 59 - HD2 ARG 61 far 9 87 10 - 5.3-10.8 HA LYS 60 - HD2 ARG 61 poor 6 81 25 31 3.0-8.2 809/6.3=11, 3032/3.5=7...(6) HA THR 59 - HD3 ARG 61 far 4 87 5 - 4.8-10.8 HA GLU 20 - HD3 ARG 61 far 0 78 0 - 6.7-20.6 HA GLU 20 - HD2 ARG 61 far 0 78 0 - 7.4-21.5 Violated in 1 structures by 0.01 A. Peak 3065 from cnoeabs.peaks (1.81, 3.14, 43.26 ppm; 3.71 A): 2 out of 10 assignments used, quality = 1.00: * HB2 ARG 61 + HD3 ARG 61 OK 100 100 100 100 2.1-4.2 3.5=100 HB2 ARG 61 + HD2 ARG 61 OK 100 100 100 100 2.1-3.9 3.5=100 HB2 LYS 60 - HD3 ARG 61 far 11 73 15 - 3.8-9.0 HB2 LYS 62 - HD2 ARG 61 far 9 89 10 - 3.9-9.4 HB2 LYS 60 - HD2 ARG 61 far 7 73 10 - 2.6-8.7 HB2 LYS 62 - HD3 ARG 61 far 4 89 5 - 4.7-9.6 HB2 LYS 58 - HD2 ARG 61 far 0 98 0 - 6.3-13.8 HB2 LYS 58 - HD3 ARG 61 far 0 98 0 - 6.9-14.1 HB ILE 17 - HD2 ARG 61 far 0 65 0 - 9.3-28.6 HB ILE 17 - HD3 ARG 61 far 0 65 0 - 9.5-28.4 Violated in 0 structures by 0.00 A. Peak 3066 from cnoeabs.peaks (1.73, 3.14, 43.26 ppm; 3.69 A): 2 out of 6 assignments used, quality = 1.00: * HB3 ARG 61 + HD3 ARG 61 OK 100 100 100 100 2.1-4.2 3.5=100 HB3 ARG 61 + HD2 ARG 61 OK 100 100 100 100 2.1-4.2 3.5=100 HB2 ARG 56 - HD2 ARG 61 far 0 99 0 - 6.0-16.7 HB3 LYS 58 - HD2 ARG 61 far 0 100 0 - 6.2-14.2 HB2 ARG 56 - HD3 ARG 61 far 0 99 0 - 6.9-15.6 HB3 LYS 58 - HD3 ARG 61 far 0 100 0 - 7.2-14.7 Violated in 0 structures by 0.00 A. Peak 3067 from cnoeabs.peaks (1.60, 3.14, 43.26 ppm; 3.08 A): 4 out of 9 assignments used, quality = 1.00: * HG2 ARG 61 + HD3 ARG 61 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 ARG 61 + HD2 ARG 61 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 ARG 61 + HD2 ARG 61 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 ARG 61 + HD3 ARG 61 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LEU 64 - HD3 ARG 61 far 0 81 0 - 8.7-14.8 HG3 ARG 21 - HD2 ARG 61 far 0 99 0 - 9.0-27.0 HG LEU 68 - HD2 ARG 61 far 0 85 0 - 9.0-23.3 HG3 ARG 21 - HD3 ARG 61 far 0 99 0 - 9.4-26.0 HB3 LEU 64 - HD2 ARG 61 far 0 81 0 - 9.5-14.2 Violated in 0 structures by 0.00 A. Peak 3068 from cnoeabs.peaks (1.59, 3.14, 43.26 ppm; 3.08 A): 4 out of 9 assignments used, quality = 1.00: HG3 ARG 61 + HD2 ARG 61 OK 100 100 100 100 2.3-3.0 3.0=100 * HG3 ARG 61 + HD3 ARG 61 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 ARG 61 + HD3 ARG 61 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 ARG 61 + HD2 ARG 61 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LEU 64 - HD3 ARG 61 far 0 78 0 - 8.7-14.8 HG3 ARG 21 - HD2 ARG 61 far 0 98 0 - 9.0-27.0 HG LEU 68 - HD2 ARG 61 far 0 83 0 - 9.0-23.3 HG3 ARG 21 - HD3 ARG 61 far 0 98 0 - 9.4-26.0 HB3 LEU 64 - HD2 ARG 61 far 0 78 0 - 9.5-14.2 Violated in 0 structures by 0.00 A. 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): 2 out of 9 assignments used, quality = 1.00: * H LYS 62 + HA LYS 62 OK 100 100 100 100 2.8-2.9 2.9=100 H LYS 62 + HA ARG 61 OK 61 62 100 99 2.1-3.6 3.6=95, 328/3.0=52...(15) H LYS 62 - HA LYS 60 poor 15 98 35 44 3.8-6.6 4.6/316=17, 3091/3.0=9...(10) H SER 66 - HA LYS 62 far 0 81 0 - 7.0-10.5 H ARG 21 - HA LYS 62 far 0 97 0 - 7.2-23.6 H SER 66 - HA ARG 61 far 0 43 0 - 8.3-14.0 H ARG 21 - HA ARG 61 far 0 57 0 - 8.4-21.2 H SER 66 - HA LYS 60 far 0 76 0 - 8.6-15.6 H ASN 54 - HA LYS 62 far 0 99 0 - 9.0-19.3 Violated in 0 structures by 0.00 A. 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): 3 out of 13 assignments used, quality = 1.00: * HB2 LYS 62 + HA LYS 62 OK 99 100 100 99 2.3-3.0 3.0=98, 335/334=27...(19) HB2 LYS 60 + HA LYS 60 OK 95 96 100 98 2.4-3.0 3.0=97, 317/3.6=16...(10) HB2 ARG 61 + HA ARG 61 OK 49 49 100 100 2.3-3.0 3.0=100 HB2 LYS 62 - HA ARG 61 poor 12 62 20 - 4.1-6.5 HB2 LYS 58 - HA LYS 60 far 10 64 15 - 4.3-8.3 HB2 ARG 61 - HA LYS 62 far 9 89 10 - 4.3-5.8 HB2 LYS 60 - HA ARG 61 far 6 60 10 - 4.2-6.0 HB2 ARG 61 - HA LYS 60 far 4 84 5 - 4.4-6.6 HB2 LYS 58 - HA LYS 62 far 0 68 0 - 4.9-14.3 HB2 LYS 60 - HA LYS 62 far 0 99 0 - 5.0-9.0 HB2 LYS 58 - HA ARG 61 far 0 35 0 - 5.6-10.8 HB2 LYS 62 - HA LYS 60 far 0 98 0 - 5.8-9.5 HB3 MET 11 - HA LYS 62 far 0 99 0 - 9.9-30.3 Violated in 0 structures by 0.00 A. Peak 3074 from cnoeabs.peaks (1.77, 4.26, 56.57 ppm; 3.12 A): 3 out of 9 assignments used, quality = 1.00: * HB3 LYS 62 + HA LYS 62 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LYS 60 + HA LYS 60 OK 98 98 100 100 2.3-3.0 3.0=100 HB3 LYS 60 + HA ARG 61 OK 22 61 55 64 4.1-5.9 318/3.0=32, ~317=12...(11) HB3 LYS 62 - HA ARG 61 poor 19 62 30 - 4.4-6.6 HB2 LYS 58 - HA LYS 60 poor 12 61 20 - 4.3-8.3 HB2 LYS 58 - HA LYS 62 far 0 65 0 - 4.9-14.3 HB3 LYS 62 - HA LYS 60 far 0 98 0 - 5.0-8.8 HB3 LYS 60 - HA LYS 62 far 0 100 0 - 5.1-8.9 HB2 LYS 58 - HA ARG 61 far 0 33 0 - 5.6-10.8 Violated in 0 structures by 0.00 A. Peak 3075 from cnoeabs.peaks (1.43, 4.26, 56.57 ppm; 3.70 A): 4 out of 21 assignments used, quality = 1.00: * HG2 LYS 62 + HA LYS 62 OK 99 100 100 99 2.1-3.9 3.8=90, 4.8/334=36...(18) HG3 LYS 62 + HA LYS 62 OK 99 100 100 99 2.2-4.2 3.8=90, 4.8/334=36...(18) HG3 LYS 60 + HA LYS 60 OK 95 96 100 98 2.1-4.2 3.9=88, 3.0/3073=27...(21) HG2 LYS 60 + HA LYS 60 OK 94 96 100 98 2.3-3.9 3.9=88, 3.0/3073=27...(21) HG2 LYS 60 - HA LYS 62 poor 20 99 20 - 4.8-9.7 HG3 LYS 60 - HA ARG 61 poor 15 60 50 51 4.1-6.9 ~318=19, ~317=12, ~810=9...(11) HG2 LYS 60 - HA ARG 61 poor 11 60 35 51 3.2-6.6 ~318=19, ~317=12, ~810=9...(10) HG3 LYS 60 - HA LYS 62 far 10 99 10 - 3.6-10.0 HG3 LYS 62 - HA ARG 61 far 9 62 15 - 3.9-7.0 HG2 LYS 62 - HA ARG 61 poor 9 62 35 41 3.7-7.8 821/3.6=16, ~3602=7...(9) HG3 ARG 56 - HA LYS 62 far 8 83 10 - 5.0-14.9 HG3 ARG 56 - HA LYS 60 far 4 78 5 - 4.7-11.7 HG2 LYS 62 - HA LYS 60 far 0 98 0 - 5.4-10.4 HG3 LYS 62 - HA LYS 60 far 0 98 0 - 5.5-9.7 HB2 LYS 27 - HA LYS 60 far 0 87 0 - 5.7-14.3 HG3 LYS 58 - HA LYS 62 far 0 81 0 - 6.1-15.8 HG3 LYS 58 - HA LYS 60 far 0 76 0 - 6.6-9.8 HG3 ARG 56 - HA ARG 61 far 0 45 0 - 6.7-13.3 HB2 LYS 27 - HA LYS 62 far 0 92 0 - 6.9-17.7 HG3 LYS 58 - HA ARG 61 far 0 43 0 - 7.3-12.4 HB2 LYS 27 - HA ARG 61 far 0 52 0 - 7.8-15.6 Violated in 0 structures by 0.00 A. Peak 3076 from cnoeabs.peaks (1.43, 4.26, 56.57 ppm; 3.70 A): 4 out of 21 assignments used, quality = 1.00: HG2 LYS 62 + HA LYS 62 OK 99 100 100 99 2.1-3.9 3.8=90, 4.8/334=36...(18) * HG3 LYS 62 + HA LYS 62 OK 99 100 100 99 2.2-4.2 3.8=90, 4.8/334=36...(18) HG3 LYS 60 + HA LYS 60 OK 95 96 100 98 2.1-4.2 3.9=88, 3.0/3073=27...(21) HG2 LYS 60 + HA LYS 60 OK 94 96 100 98 2.3-3.9 3.9=88, 3.0/3073=27...(21) HG2 LYS 60 - HA LYS 62 poor 20 99 20 - 4.8-9.7 HG3 LYS 60 - HA ARG 61 poor 15 60 50 51 4.1-6.9 ~318=19, ~317=12, ~810=9...(11) HG2 LYS 60 - HA ARG 61 poor 11 60 35 51 3.2-6.6 ~318=19, ~317=12, ~810=9...(10) HG3 LYS 60 - HA LYS 62 far 10 99 10 - 3.6-10.0 HG3 LYS 62 - HA ARG 61 far 9 62 15 - 3.9-7.0 HG2 LYS 62 - HA ARG 61 poor 9 62 35 41 3.7-7.8 821/3.6=16, ~3602=7...(9) HG3 ARG 56 - HA LYS 62 far 8 83 10 - 5.0-14.9 HG3 ARG 56 - HA LYS 60 far 4 78 5 - 4.7-11.7 HG2 LYS 62 - HA LYS 60 far 0 98 0 - 5.4-10.4 HG3 LYS 62 - HA LYS 60 far 0 98 0 - 5.5-9.7 HB2 LYS 27 - HA LYS 60 far 0 87 0 - 5.7-14.3 HG3 LYS 58 - HA LYS 62 far 0 81 0 - 6.1-15.8 HG3 LYS 58 - HA LYS 60 far 0 76 0 - 6.6-9.8 HG3 ARG 56 - HA ARG 61 far 0 45 0 - 6.7-13.3 HB2 LYS 27 - HA LYS 62 far 0 92 0 - 6.9-17.7 HG3 LYS 58 - HA ARG 61 far 0 43 0 - 7.3-12.4 HB2 LYS 27 - HA ARG 61 far 0 52 0 - 7.8-15.6 Violated in 0 structures by 0.00 A. Peak 3077 from cnoeabs.peaks (1.67, 4.26, 56.57 ppm; 3.91 A): 4 out of 15 assignments used, quality = 1.00: HD3 LYS 62 + HA LYS 62 OK 97 100 100 97 2.1-4.8 5.0=48, 3.4/3073=27...(26) HD2 LYS 60 + HA LYS 60 OK 90 98 95 97 2.1-5.5 5.2=42, 3.7/3073=24...(29) HD3 LYS 60 + HA LYS 60 OK 86 98 90 97 2.0-5.5 5.2=42, 3.7/3073=24...(29) * HD2 LYS 62 + HA LYS 62 OK 78 100 80 97 2.0-5.5 5.0=48, 3.4/3073=27...(26) HB2 LEU 64 - HA LYS 62 far 10 98 10 - 4.4-9.3 HD2 LYS 62 - HA ARG 61 far 9 62 15 - 3.9-8.0 HD3 LYS 60 - HA ARG 61 far 9 62 15 - 4.2-7.6 HD3 LYS 62 - HA ARG 61 far 6 62 10 - 3.7-8.2 HD2 LYS 60 - HA ARG 61 far 6 62 10 - 3.9-7.9 HD2 LYS 60 - HA LYS 62 far 5 100 5 - 4.2-11.1 HD3 LYS 60 - HA LYS 62 far 5 100 5 - 4.8-10.3 HD2 LYS 62 - HA LYS 60 far 5 98 5 - 3.4-11.3 HD3 LYS 62 - HA LYS 60 far 5 98 5 - 4.7-11.2 HB2 LEU 64 - HA ARG 61 far 0 58 0 - 6.2-12.9 HB2 LEU 64 - HA LYS 60 far 0 95 0 - 8.5-14.6 Violated in 0 structures by 0.00 A. Peak 3078 from cnoeabs.peaks (1.67, 4.26, 56.57 ppm; 3.91 A): 4 out of 15 assignments used, quality = 1.00: * HD3 LYS 62 + HA LYS 62 OK 97 100 100 97 2.1-4.8 5.0=48, 3.4/3073=27...(26) HD2 LYS 60 + HA LYS 60 OK 90 98 95 97 2.1-5.5 5.2=42, 3.7/3073=24...(29) HD3 LYS 60 + HA LYS 60 OK 86 98 90 97 2.0-5.5 5.2=42, 3.7/3073=24...(29) HD2 LYS 62 + HA LYS 62 OK 78 100 80 97 2.0-5.5 5.0=48, 3.4/3073=27...(26) HB2 LEU 64 - HA LYS 62 far 10 99 10 - 4.4-9.3 HD2 LYS 62 - HA ARG 61 far 9 62 15 - 3.9-8.0 HD3 LYS 60 - HA ARG 61 far 9 62 15 - 4.2-7.6 HD3 LYS 62 - HA ARG 61 far 6 62 10 - 3.7-8.2 HD2 LYS 60 - HA ARG 61 far 6 61 10 - 3.9-7.9 HD2 LYS 60 - HA LYS 62 far 5 100 5 - 4.2-11.1 HD3 LYS 60 - HA LYS 62 far 5 100 5 - 4.8-10.3 HD2 LYS 62 - HA LYS 60 far 5 98 5 - 3.4-11.3 HD3 LYS 62 - HA LYS 60 far 5 98 5 - 4.7-11.2 HB2 LEU 64 - HA ARG 61 far 0 59 0 - 6.2-12.9 HB2 LEU 64 - HA LYS 60 far 0 95 0 - 8.5-14.6 Violated in 0 structures by 0.00 A. Peak 3081 from cnoeabs.peaks (8.30, 1.83, 32.70 ppm; 4.84 A): 2 out of 7 assignments used, quality = 1.00: * H LYS 62 + HB2 LYS 62 OK 100 100 100 100 2.3-4.0 4.0=100 H LYS 62 + HB2 LYS 60 OK 30 96 50 63 2.6-8.0 4.6/317=32, 3091/1.8=21...(8) H SER 66 - HB2 LYS 62 far 8 81 10 - 4.9-12.3 H SER 66 - HB2 LYS 60 far 0 74 0 - 7.3-17.3 H ARG 21 - HB2 LYS 62 far 0 97 0 - 8.6-25.7 H ASN 54 - HB2 LYS 62 far 0 99 0 - 8.7-20.7 H ASN 54 - HB2 LYS 60 far 0 94 0 - 9.5-15.3 Violated in 0 structures by 0.00 A. Peak 3082 from cnoeabs.peaks (4.26, 1.83, 32.70 ppm; 3.34 A): 3 out of 10 assignments used, quality = 1.00: * HA LYS 62 + HB2 LYS 62 OK 100 100 100 100 2.3-3.0 3.0=100 HA LYS 60 + HB2 LYS 60 OK 95 95 100 100 2.4-3.0 3.0=100 HA THR 59 + HB2 LYS 60 OK 23 96 40 60 4.3-6.4 4681/1.8=39, 312/3.8=14...(8) HA ARG 61 - HB2 LYS 60 poor 18 84 35 61 4.2-6.0 3.0/317=24, ~318=22...(10) HB THR 59 - HB2 LYS 60 poor 14 69 20 - 3.8-7.4 HA ARG 61 - HB2 LYS 62 poor 12 90 25 54 4.1-6.5 3.6/818=19, 3.0/3601=8...(12) HA THR 59 - HB2 LYS 62 far 5 100 5 - 3.1-13.0 HB THR 59 - HB2 LYS 62 far 0 76 0 - 5.0-13.1 HA LYS 62 - HB2 LYS 60 far 0 96 0 - 5.0-9.0 HA LYS 60 - HB2 LYS 62 far 0 100 0 - 5.8-9.5 Violated in 0 structures by 0.00 A. 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 6 assignments used, quality = 1.00: * HB3 LYS 62 + HB2 LYS 62 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 60 + HB2 LYS 60 OK 96 96 100 100 1.8-1.8 1.8=100 HB2 LYS 58 - HB2 LYS 60 poor 15 59 25 - 2.8-10.1 HB3 LYS 62 - HB2 LYS 60 far 5 96 5 - 3.1-10.4 HB2 LYS 58 - HB2 LYS 62 far 0 65 0 - 4.0-16.3 HB3 LYS 60 - HB2 LYS 62 far 0 100 0 - 4.9-9.4 Violated in 0 structures by 0.00 A. Peak 3085 from cnoeabs.peaks (1.43, 1.83, 32.70 ppm; 3.33 A): 4 out of 14 assignments used, quality = 1.00: HG3 LYS 62 + HB2 LYS 62 OK 100 100 100 100 2.2-3.0 2.9=100 * HG2 LYS 62 + HB2 LYS 62 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 LYS 60 + HB2 LYS 60 OK 95 95 100 100 2.3-3.0 3.0=100 HG2 LYS 60 + HB2 LYS 60 OK 94 94 100 100 2.3-3.0 3.0=100 HG3 LYS 60 - HB2 LYS 62 far 5 99 5 - 4.1-10.6 HG2 LYS 60 - HB2 LYS 62 far 5 99 5 - 3.8-10.2 HG2 LYS 62 - HB2 LYS 60 far 5 96 5 - 4.5-11.6 HG3 ARG 56 - HB2 LYS 60 far 4 76 5 - 4.4-11.7 HG3 LYS 58 - HB2 LYS 60 far 0 74 0 - 4.9-12.0 HG3 LYS 62 - HB2 LYS 60 far 0 96 0 - 5.0-10.8 HG3 LYS 58 - HB2 LYS 62 far 0 81 0 - 5.2-17.6 HB2 LYS 27 - HB2 LYS 60 far 0 85 0 - 5.5-16.1 HG3 ARG 56 - HB2 LYS 62 far 0 83 0 - 6.5-16.7 HB2 LYS 27 - HB2 LYS 62 far 0 92 0 - 9.3-18.2 Violated in 0 structures by 0.00 A. Peak 3086 from cnoeabs.peaks (1.43, 1.83, 32.70 ppm; 3.33 A): 4 out of 14 assignments used, quality = 1.00: * HG3 LYS 62 + HB2 LYS 62 OK 100 100 100 100 2.2-3.0 2.9=100 HG2 LYS 62 + HB2 LYS 62 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 LYS 60 + HB2 LYS 60 OK 95 95 100 100 2.3-3.0 3.0=100 HG2 LYS 60 + HB2 LYS 60 OK 94 94 100 100 2.3-3.0 3.0=100 HG3 LYS 60 - HB2 LYS 62 far 5 99 5 - 4.1-10.6 HG2 LYS 60 - HB2 LYS 62 far 5 99 5 - 3.8-10.2 HG2 LYS 62 - HB2 LYS 60 far 5 96 5 - 4.5-11.6 HG3 ARG 56 - HB2 LYS 60 far 4 76 5 - 4.4-11.7 HG3 LYS 58 - HB2 LYS 60 far 0 74 0 - 4.9-12.0 HG3 LYS 62 - HB2 LYS 60 far 0 96 0 - 5.0-10.8 HG3 LYS 58 - HB2 LYS 62 far 0 81 0 - 5.2-17.6 HB2 LYS 27 - HB2 LYS 60 far 0 85 0 - 5.5-16.1 HG3 ARG 56 - HB2 LYS 62 far 0 83 0 - 6.5-16.7 HB2 LYS 27 - HB2 LYS 62 far 0 92 0 - 9.3-18.2 Violated in 0 structures by 0.00 A. Peak 3087 from cnoeabs.peaks (1.67, 1.83, 32.70 ppm; 3.64 A): 4 out of 10 assignments used, quality = 1.00: * HD2 LYS 62 + HB2 LYS 62 OK 100 100 100 100 2.1-3.8 3.4=100 HD3 LYS 62 + HB2 LYS 62 OK 100 100 100 100 2.2-4.2 3.4=100 HD3 LYS 60 + HB2 LYS 60 OK 96 96 100 100 2.2-4.2 3.7=95, 2978/1.8=23...(57) HD2 LYS 60 + HB2 LYS 60 OK 96 96 100 100 2.2-4.2 3.7=95, 2978/1.8=25...(57) HB2 LEU 64 - HB2 LYS 62 far 10 98 10 - 2.9-9.3 HD2 LYS 62 - HB2 LYS 60 far 5 96 5 - 4.9-11.9 HD3 LYS 62 - HB2 LYS 60 far 0 96 0 - 5.3-12.0 HD2 LYS 60 - HB2 LYS 62 far 0 100 0 - 5.5-11.3 HB2 LEU 64 - HB2 LYS 60 far 0 93 0 - 6.3-16.1 HD3 LYS 60 - HB2 LYS 62 far 0 100 0 - 6.4-11.5 Violated in 0 structures by 0.00 A. Peak 3088 from cnoeabs.peaks (1.67, 1.83, 32.70 ppm; 3.64 A): 4 out of 10 assignments used, quality = 1.00: * HD3 LYS 62 + HB2 LYS 62 OK 100 100 100 100 2.2-4.2 3.4=100 HD2 LYS 62 + HB2 LYS 62 OK 100 100 100 100 2.1-3.8 3.4=100 HD3 LYS 60 + HB2 LYS 60 OK 96 96 100 100 2.2-4.2 3.7=95, 2988/1.8=23...(57) HD2 LYS 60 + HB2 LYS 60 OK 96 96 100 100 2.2-4.2 3.7=95, 2978/1.8=25...(57) HB2 LEU 64 - HB2 LYS 62 far 10 99 10 - 2.9-9.3 HD2 LYS 62 - HB2 LYS 60 far 5 96 5 - 4.9-11.9 HD3 LYS 62 - HB2 LYS 60 far 0 96 0 - 5.3-12.0 HD2 LYS 60 - HB2 LYS 62 far 0 100 0 - 5.5-11.3 HB2 LEU 64 - HB2 LYS 60 far 0 93 0 - 6.3-16.1 HD3 LYS 60 - HB2 LYS 62 far 0 100 0 - 6.4-11.5 Violated in 0 structures by 0.00 A. Peak 3091 from cnoeabs.peaks (8.30, 1.77, 32.70 ppm; 4.58 A): 2 out of 7 assignments used, quality = 1.00: * H LYS 62 + HB3 LYS 62 OK 100 100 100 100 2.3-3.6 4.0=100 H LYS 62 + HB3 LYS 60 OK 32 99 45 72 2.6-7.0 4.6/318=45, 3081/1.8=17...(8) H SER 66 - HB3 LYS 62 far 4 81 5 - 4.3-12.3 H SER 66 - HB3 LYS 60 far 0 79 0 - 7.4-16.8 H ARG 21 - HB3 LYS 62 far 0 97 0 - 9.1-25.3 H ASN 54 - HB3 LYS 60 far 0 98 0 - 9.3-15.5 H ASN 54 - HB3 LYS 62 far 0 99 0 - 9.4-19.3 Violated in 0 structures by 0.00 A. Peak 3092 from cnoeabs.peaks (4.26, 1.77, 32.70 ppm; 3.24 A): 4 out of 10 assignments used, quality = 1.00: * HA LYS 62 + HB3 LYS 62 OK 100 100 100 100 2.4-3.0 3.0=100 HA LYS 60 + HB3 LYS 60 OK 99 99 100 100 2.3-3.0 3.0=100 HA ARG 61 + HB3 LYS 60 OK 33 88 55 67 4.1-5.9 3.0/318=35, ~317=13...(12) HA ARG 61 + HB3 LYS 62 OK 21 90 40 58 4.4-6.6 3.6/819=33, 3.0/3602=9...(11) HA THR 59 - HB3 LYS 60 far 15 99 15 - 4.6-6.2 HB THR 59 - HB3 LYS 60 far 7 74 10 - 4.1-7.5 HA THR 59 - HB3 LYS 62 far 5 100 5 - 4.6-12.2 HA LYS 60 - HB3 LYS 62 far 0 100 0 - 5.0-8.8 HA LYS 62 - HB3 LYS 60 far 0 99 0 - 5.1-8.9 HB THR 59 - HB3 LYS 62 far 0 76 0 - 6.0-12.4 Violated in 0 structures by 0.00 A. Peak 3093 from cnoeabs.peaks (1.83, 1.77, 32.70 ppm; 2.40 A): 2 out of 9 assignments used, quality = 1.00: * HB2 LYS 62 + HB3 LYS 62 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LYS 60 + HB3 LYS 60 OK 98 98 100 100 1.8-1.8 1.8=100 HB2 LYS 58 - HB3 LYS 60 poor 17 66 25 - 3.4-9.8 HB2 ARG 61 - HB3 LYS 62 far 9 89 10 - 3.8-6.9 HB2 LYS 60 - HB3 LYS 62 far 5 99 5 - 3.1-10.4 HB2 ARG 61 - HB3 LYS 60 far 4 87 5 - 3.7-7.5 HB2 LYS 58 - HB3 LYS 62 far 0 68 0 - 4.8-15.4 HB2 LYS 62 - HB3 LYS 60 far 0 99 0 - 4.9-9.4 HB3 MET 11 - HB3 LYS 62 far 0 99 0 - 8.0-31.1 Violated in 0 structures by 0.00 A. 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 14 assignments used, quality = 1.00: * HG2 LYS 62 + HB3 LYS 62 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 LYS 62 + HB3 LYS 62 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 LYS 60 + HB3 LYS 60 OK 98 98 100 100 2.3-3.0 3.0=100 HG2 LYS 60 + HB3 LYS 60 OK 98 98 100 100 2.3-3.0 3.0=100 HG2 LYS 62 - HB3 LYS 60 far 15 99 15 - 4.0-10.1 HG3 LYS 60 - HB3 LYS 62 far 5 99 5 - 2.8-10.2 HG3 LYS 62 - HB3 LYS 60 far 5 99 5 - 3.9-9.7 HG2 LYS 60 - HB3 LYS 62 far 5 99 5 - 2.5-11.3 HG3 LYS 58 - HB3 LYS 60 far 0 79 0 - 5.5-11.4 HG3 LYS 58 - HB3 LYS 62 far 0 81 0 - 5.7-16.4 HG3 ARG 56 - HB3 LYS 60 far 0 81 0 - 5.8-11.7 HG3 ARG 56 - HB3 LYS 62 far 0 83 0 - 6.3-16.4 HB2 LYS 27 - HB3 LYS 60 far 0 90 0 - 6.5-15.1 HB2 LYS 27 - HB3 LYS 62 far 0 92 0 - 8.9-17.7 Violated in 0 structures by 0.00 A. Peak 3096 from cnoeabs.peaks (1.43, 1.77, 32.70 ppm; 3.18 A): 4 out of 14 assignments used, quality = 1.00: HG2 LYS 62 + HB3 LYS 62 OK 100 100 100 100 2.3-3.0 2.9=100 * HG3 LYS 62 + HB3 LYS 62 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 LYS 60 + HB3 LYS 60 OK 98 98 100 100 2.3-3.0 3.0=100 HG2 LYS 60 + HB3 LYS 60 OK 98 98 100 100 2.3-3.0 3.0=100 HG2 LYS 62 - HB3 LYS 60 far 15 99 15 - 4.0-10.1 HG3 LYS 60 - HB3 LYS 62 far 5 99 5 - 2.8-10.2 HG3 LYS 62 - HB3 LYS 60 far 5 99 5 - 3.9-9.7 HG2 LYS 60 - HB3 LYS 62 far 5 99 5 - 2.5-11.3 HG3 LYS 58 - HB3 LYS 60 far 0 79 0 - 5.5-11.4 HG3 LYS 58 - HB3 LYS 62 far 0 81 0 - 5.7-16.4 HG3 ARG 56 - HB3 LYS 60 far 0 81 0 - 5.8-11.7 HG3 ARG 56 - HB3 LYS 62 far 0 83 0 - 6.3-16.4 HB2 LYS 27 - HB3 LYS 60 far 0 90 0 - 6.5-15.1 HB2 LYS 27 - HB3 LYS 62 far 0 92 0 - 8.9-17.7 Violated in 0 structures by 0.00 A. Peak 3097 from cnoeabs.peaks (1.67, 1.77, 32.70 ppm; 3.68 A): 4 out of 10 assignments used, quality = 1.00: * HD2 LYS 62 + HB3 LYS 62 OK 100 100 100 100 2.1-4.2 3.4=100 HD3 LYS 62 + HB3 LYS 62 OK 100 100 100 100 2.3-4.2 3.4=100 HD3 LYS 60 + HB3 LYS 60 OK 99 99 100 100 2.1-4.2 3.7=98, 1.8/2978=25...(53) HD2 LYS 60 + HB3 LYS 60 OK 99 99 100 100 2.1-4.0 3.7=98, 1.8/3134=23...(53) HB2 LEU 64 - HB3 LYS 62 far 10 98 10 - 3.6-10.5 HD2 LYS 60 - HB3 LYS 62 far 5 100 5 - 4.6-11.0 HD3 LYS 62 - HB3 LYS 60 far 5 99 5 - 3.9-11.6 HD3 LYS 60 - HB3 LYS 62 far 0 100 0 - 5.2-11.5 HD2 LYS 62 - HB3 LYS 60 far 0 99 0 - 5.7-10.7 HB2 LEU 64 - HB3 LYS 60 far 0 97 0 - 7.1-15.0 Violated in 0 structures by 0.00 A. Peak 3098 from cnoeabs.peaks (1.67, 1.77, 32.70 ppm; 3.68 A): 4 out of 10 assignments used, quality = 1.00: * HD3 LYS 62 + HB3 LYS 62 OK 100 100 100 100 2.3-4.2 3.4=100 HD2 LYS 62 + HB3 LYS 62 OK 100 100 100 100 2.1-4.2 3.4=100 HD3 LYS 60 + HB3 LYS 60 OK 99 99 100 100 2.1-4.2 3.7=98, 1.8/2978=25...(53) HD2 LYS 60 + HB3 LYS 60 OK 99 99 100 100 2.1-4.0 3.7=98, 1.8/3134=23...(53) HB2 LEU 64 - HB3 LYS 62 far 10 99 10 - 3.6-10.5 HD2 LYS 60 - HB3 LYS 62 far 5 100 5 - 4.6-11.0 HD3 LYS 62 - HB3 LYS 60 far 5 99 5 - 3.9-11.6 HD3 LYS 60 - HB3 LYS 62 far 0 100 0 - 5.2-11.5 HD2 LYS 62 - HB3 LYS 60 far 0 99 0 - 5.7-10.7 HB2 LEU 64 - HB3 LYS 60 far 0 97 0 - 7.1-15.0 Violated in 0 structures by 0.00 A. Peak 3102 from cnoeabs.peaks (4.26, 1.43, 24.91 ppm; 4.55 A): 10 out of 20 assignments used, quality = 1.00: * HA LYS 62 + HG2 LYS 62 OK 100 100 100 100 2.1-3.9 3.8=100 HA LYS 62 + HG3 LYS 62 OK 100 100 100 100 2.2-4.2 3.8=100 HA LYS 60 + HG3 LYS 60 OK 79 79 100 100 2.1-4.2 3.9=100 HA LYS 60 + HG2 LYS 60 OK 78 78 100 100 2.3-3.9 3.9=100 HA ARG 61 + HG2 LYS 62 OK 34 90 70 54 3.7-7.8 3609/4.9=28, ~3602=11...(8) HA ARG 61 + HG3 LYS 60 OK 30 67 65 68 4.1-6.9 ~318=32, ~317=20...(13) HA ARG 61 + HG2 LYS 60 OK 29 66 65 67 3.2-6.6 ~318=32, ~317=20...(10) HA THR 59 + HG3 LYS 60 OK 28 81 45 78 4.6-6.9 4681/3.0=64, 3.6/802=25...(5) HA THR 59 + HG2 LYS 60 OK 28 79 45 78 3.9-7.4 4681/3.0=64, 3.6/802=25...(5) HA ARG 61 + HG3 LYS 62 OK 25 90 50 55 3.9-7.0 3609/4.9=28, ~3602=11...(9) HA LYS 60 - HG2 LYS 62 poor 20 100 20 - 5.4-10.4 HA LYS 62 - HG2 LYS 60 poor 20 79 25 - 4.8-9.7 HB THR 59 - HG2 LYS 60 poor 19 53 35 - 4.4-8.3 HB THR 59 - HG3 LYS 60 poor 16 54 30 - 3.8-8.3 HA THR 59 - HG3 LYS 62 far 10 100 10 - 4.7-13.0 HA THR 59 - HG2 LYS 62 far 10 100 10 - 5.3-13.9 HA LYS 62 - HG3 LYS 60 far 8 81 10 - 3.6-10.0 HA LYS 60 - HG3 LYS 62 far 5 100 5 - 5.5-9.7 HB THR 59 - HG3 LYS 62 far 4 76 5 - 5.8-14.0 HB THR 59 - HG2 LYS 62 far 0 76 0 - 6.7-14.0 Violated in 0 structures by 0.00 A. Peak 3103 from cnoeabs.peaks (1.83, 1.43, 24.91 ppm; 4.06 A): 4 out of 19 assignments used, quality = 1.00: HB2 LYS 62 + HG3 LYS 62 OK 100 100 100 100 2.2-3.0 2.9=100 * HB2 LYS 62 + HG2 LYS 62 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 LYS 60 + HG3 LYS 60 OK 78 78 100 100 2.3-3.0 3.0=100 HB2 LYS 60 + HG2 LYS 60 OK 77 77 100 100 2.3-3.0 3.0=100 HB2 LYS 60 - HG2 LYS 62 poor 20 99 20 - 4.5-11.6 HB2 ARG 61 - HG3 LYS 62 poor 18 89 20 - 3.6-8.2 HB2 ARG 61 - HG2 LYS 60 poor 15 64 50 48 4.1-8.2 810/4.8=23, ~3092=4...(16) HB2 LYS 58 - HG3 LYS 60 poor 14 48 30 - 3.2-10.9 HB2 ARG 61 - HG3 LYS 60 poor 13 66 20 - 2.6-8.4 HB2 LYS 58 - HG2 LYS 60 poor 12 47 25 - 2.7-10.6 HB2 ARG 61 - HG2 LYS 62 poor 10 89 30 38 2.7-8.4 327/4.9=19, 3024/3.8=13...(8) HB2 LYS 62 - HG2 LYS 60 far 8 79 10 - 3.8-10.2 HB2 LYS 58 - HG3 LYS 62 far 7 68 10 - 3.5-16.4 HB2 LYS 60 - HG3 LYS 62 far 5 99 5 - 5.0-10.8 HB2 LYS 62 - HG3 LYS 60 far 4 81 5 - 4.1-10.6 HB2 LYS 58 - HG2 LYS 62 far 3 68 5 - 5.1-14.8 HB3 MET 11 - HG2 LYS 62 far 0 99 0 - 8.9-29.6 HB ILE 17 - HG3 LYS 62 far 0 97 0 - 9.1-29.6 HB ILE 17 - HG2 LYS 62 far 0 97 0 - 9.3-28.0 Violated in 0 structures by 0.00 A. Peak 3104 from cnoeabs.peaks (1.77, 1.43, 24.91 ppm; 4.10 A): 4 out of 12 assignments used, quality = 1.00: * HB3 LYS 62 + HG2 LYS 62 OK 100 100 100 100 2.3-3.0 2.9=100 HB3 LYS 62 + HG3 LYS 62 OK 100 100 100 100 2.3-3.0 2.9=100 HB3 LYS 60 + HG3 LYS 60 OK 80 80 100 100 2.3-3.0 3.0=100 HB3 LYS 60 + HG2 LYS 60 OK 79 79 100 100 2.3-3.0 3.0=100 HB3 LYS 60 - HG2 LYS 62 far 15 100 15 - 4.0-10.1 HB2 LYS 58 - HG3 LYS 60 poor 14 46 30 - 3.2-10.9 HB2 LYS 58 - HG2 LYS 60 poor 11 45 25 - 2.7-10.6 HB3 LYS 60 - HG3 LYS 62 far 10 100 10 - 3.9-9.7 HB2 LYS 58 - HG3 LYS 62 far 7 65 10 - 3.5-16.4 HB3 LYS 62 - HG3 LYS 60 far 4 81 5 - 2.8-10.2 HB3 LYS 62 - HG2 LYS 60 far 4 79 5 - 2.5-11.3 HB2 LYS 58 - HG2 LYS 62 far 3 65 5 - 5.1-14.8 Violated in 0 structures by 0.00 A. 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 25 assignments used, quality = 1.00: HD2 LYS 62 + HG3 LYS 62 OK 100 100 100 100 2.3-3.0 3.0=100 * HD2 LYS 62 + HG2 LYS 62 OK 100 100 100 100 2.5-3.0 3.0=100 HD3 LYS 62 + HG2 LYS 62 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 62 + HG3 LYS 62 OK 100 100 100 100 2.5-3.0 3.0=100 HD3 LYS 60 + HG3 LYS 60 OK 81 81 100 100 2.5-3.0 2.9=100 HD2 LYS 60 + HG3 LYS 60 OK 81 81 100 100 2.3-3.0 2.9=100 HD3 LYS 60 + HG2 LYS 60 OK 79 79 100 100 2.3-3.0 2.9=100 HD2 LYS 60 + HG2 LYS 60 OK 79 79 100 100 2.5-3.0 2.9=100 HD2 LYS 39 + HG2 LYS 39 OK 70 70 100 100 2.2-3.0 3.0=100 HD3 LYS 39 + HG2 LYS 39 OK 70 70 100 100 2.7-3.0 3.0=100 HD3 LYS 42 - HG2 LYS 39 poor 19 95 20 - 4.7-6.9 HB2 LEU 64 - HG3 LYS 62 far 15 98 15 - 4.5-11.5 HD3 LYS 60 - HG2 LYS 62 far 5 100 5 - 4.6-12.8 HB2 LEU 64 - HG2 LYS 62 far 5 98 5 - 4.2-11.5 HD3 LYS 62 - HG3 LYS 60 far 4 81 5 - 4.3-11.8 HD3 LYS 62 - HG2 LYS 60 far 4 79 5 - 3.9-11.5 HD2 LYS 62 - HG3 LYS 60 far 0 81 0 - 5.1-12.6 HD2 LYS 62 - HG2 LYS 60 far 0 79 0 - 5.1-12.3 HD2 LYS 60 - HG2 LYS 62 far 0 100 0 - 5.4-12.1 HD2 LYS 60 - HG3 LYS 62 far 0 100 0 - 5.6-11.7 HD3 LYS 60 - HG3 LYS 62 far 0 100 0 - 5.7-12.5 HB2 LEU 37 - HG2 LYS 39 far 0 97 0 - 7.8-9.1 HB2 LEU 64 - HG3 LYS 60 far 0 76 0 - 8.3-16.8 HB2 LEU 64 - HG2 LYS 60 far 0 75 0 - 8.8-16.8 HG3 LYS 22 - HG2 LYS 39 far 0 96 0 - 9.8-13.0 Violated in 0 structures by 0.00 A. Peak 3108 from cnoeabs.peaks (1.67, 1.43, 24.91 ppm; 3.54 A): 10 out of 25 assignments used, quality = 1.00: * HD3 LYS 62 + HG2 LYS 62 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 62 + HG3 LYS 62 OK 100 100 100 100 2.5-3.0 3.0=100 HD2 LYS 62 + HG3 LYS 62 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 62 + HG2 LYS 62 OK 100 100 100 100 2.5-3.0 3.0=100 HD3 LYS 60 + HG3 LYS 60 OK 81 81 100 100 2.5-3.0 2.9=100 HD2 LYS 60 + HG3 LYS 60 OK 80 80 100 100 2.3-3.0 2.9=100 HD3 LYS 60 + HG2 LYS 60 OK 79 79 100 100 2.3-3.0 2.9=100 HD2 LYS 60 + HG2 LYS 60 OK 79 79 100 100 2.5-3.0 2.9=100 HD2 LYS 39 + HG2 LYS 39 OK 68 68 100 100 2.2-3.0 3.0=100 HD3 LYS 39 + HG2 LYS 39 OK 68 68 100 100 2.7-3.0 3.0=100 HD3 LYS 42 - HG2 LYS 39 poor 19 96 20 - 4.7-6.9 HB2 LEU 64 - HG3 LYS 62 far 15 99 15 - 4.5-11.5 HD3 LYS 60 - HG2 LYS 62 far 5 100 5 - 4.6-12.8 HB2 LEU 64 - HG2 LYS 62 far 5 99 5 - 4.2-11.5 HD3 LYS 62 - HG3 LYS 60 far 4 81 5 - 4.3-11.8 HD3 LYS 62 - HG2 LYS 60 far 4 79 5 - 3.9-11.5 HD2 LYS 62 - HG3 LYS 60 far 0 81 0 - 5.1-12.6 HD2 LYS 62 - HG2 LYS 60 far 0 79 0 - 5.1-12.3 HD2 LYS 60 - HG2 LYS 62 far 0 100 0 - 5.4-12.1 HD2 LYS 60 - HG3 LYS 62 far 0 100 0 - 5.6-11.7 HD3 LYS 60 - HG3 LYS 62 far 0 100 0 - 5.7-12.5 HB2 LEU 37 - HG2 LYS 39 far 0 98 0 - 7.8-9.1 HB2 LEU 64 - HG3 LYS 60 far 0 77 0 - 8.3-16.8 HB2 LEU 64 - HG2 LYS 60 far 0 76 0 - 8.8-16.8 HG3 LYS 22 - HG2 LYS 39 far 0 96 0 - 9.8-13.0 Violated in 0 structures by 0.00 A. Peak 3109 from cnoeabs.peaks (2.98, 1.43, 24.91 ppm; 4.38 A): 10 out of 18 assignments used, quality = 1.00: HE2 LYS 62 + HG3 LYS 62 OK 100 100 100 100 2.2-4.2 3.7=100 * HE2 LYS 62 + HG2 LYS 62 OK 100 100 100 100 2.5-3.8 3.7=100 HE3 LYS 62 + HG2 LYS 62 OK 100 100 100 100 2.1-4.2 3.7=100 HE3 LYS 62 + HG3 LYS 62 OK 100 100 100 100 2.5-3.8 3.7=100 HE3 LYS 39 + HG2 LYS 39 OK 99 99 100 100 2.0-3.2 3.6=100 HE2 LYS 39 + HG2 LYS 39 OK 99 99 100 100 2.7-3.9 3.6=100 HE3 LYS 60 + HG3 LYS 60 OK 81 81 100 100 2.1-3.7 3.9=100 HE2 LYS 60 + HG3 LYS 60 OK 81 81 100 100 2.1-4.2 3.9=100 HE3 LYS 60 + HG2 LYS 60 OK 79 79 100 100 2.1-4.2 3.9=100 HE2 LYS 60 + HG2 LYS 60 OK 79 79 100 100 2.4-4.1 3.9=100 HE3 LYS 60 - HG2 LYS 62 far 10 100 10 - 5.2-13.8 HE3 LYS 60 - HG3 LYS 62 far 5 100 5 - 4.5-12.6 HE2 LYS 60 - HG3 LYS 62 far 5 100 5 - 5.2-12.5 HE2 LYS 60 - HG2 LYS 62 far 5 100 5 - 5.5-13.4 HE2 LYS 62 - HG3 LYS 60 far 4 81 5 - 5.5-12.7 HE3 LYS 62 - HG3 LYS 60 far 4 80 5 - 5.8-13.7 HE2 LYS 62 - HG2 LYS 60 far 4 79 5 - 5.9-13.0 HE3 LYS 62 - HG2 LYS 60 far 4 79 5 - 5.5-12.7 Violated in 0 structures by 0.00 A. Peak 3110 from cnoeabs.peaks (2.99, 1.43, 24.91 ppm; 4.37 A): 10 out of 18 assignments used, quality = 1.00: * HE3 LYS 62 + HG2 LYS 62 OK 100 100 100 100 2.1-4.2 3.7=100 HE3 LYS 62 + HG3 LYS 62 OK 100 100 100 100 2.5-3.8 3.7=100 HE2 LYS 62 + HG3 LYS 62 OK 100 100 100 100 2.2-4.2 3.7=100 HE2 LYS 62 + HG2 LYS 62 OK 100 100 100 100 2.5-3.8 3.7=100 HE3 LYS 39 + HG2 LYS 39 OK 98 98 100 100 2.0-3.2 3.6=100 HE2 LYS 39 + HG2 LYS 39 OK 98 98 100 100 2.7-3.9 3.6=100 HE3 LYS 60 + HG3 LYS 60 OK 80 80 100 100 2.1-3.7 3.9=100 HE2 LYS 60 + HG3 LYS 60 OK 80 80 100 100 2.1-4.2 3.9=100 HE3 LYS 60 + HG2 LYS 60 OK 79 79 100 100 2.1-4.2 3.9=100 HE2 LYS 60 + HG2 LYS 60 OK 78 78 100 100 2.4-4.1 3.9=100 HE3 LYS 60 - HG2 LYS 62 far 10 100 10 - 5.2-13.8 HE3 LYS 60 - HG3 LYS 62 far 5 100 5 - 4.5-12.6 HE2 LYS 60 - HG3 LYS 62 far 5 100 5 - 5.2-12.5 HE2 LYS 60 - HG2 LYS 62 far 5 100 5 - 5.5-13.4 HE3 LYS 62 - HG3 LYS 60 far 4 81 5 - 5.8-13.7 HE2 LYS 62 - HG3 LYS 60 far 4 80 5 - 5.5-12.7 HE3 LYS 62 - HG2 LYS 60 far 4 79 5 - 5.5-12.7 HE2 LYS 62 - HG2 LYS 60 far 4 79 5 - 5.9-13.0 Violated in 0 structures by 0.00 A. Peak 3112 from cnoeabs.peaks (4.26, 1.43, 24.91 ppm; 4.55 A): 10 out of 20 assignments used, quality = 1.00: HA LYS 62 + HG2 LYS 62 OK 100 100 100 100 2.1-3.9 3.8=100 * HA LYS 62 + HG3 LYS 62 OK 100 100 100 100 2.2-4.2 3.8=100 HA LYS 60 + HG3 LYS 60 OK 79 79 100 100 2.1-4.2 3.9=100 HA LYS 60 + HG2 LYS 60 OK 78 78 100 100 2.3-3.9 3.9=100 HA ARG 61 + HG2 LYS 62 OK 34 90 70 54 3.7-7.8 3609/4.9=28, ~3602=11...(8) HA ARG 61 + HG3 LYS 60 OK 30 67 65 68 4.1-6.9 ~318=32, ~317=20...(13) HA ARG 61 + HG2 LYS 60 OK 29 66 65 67 3.2-6.6 ~318=32, ~317=20...(10) HA THR 59 + HG3 LYS 60 OK 28 81 45 78 4.6-6.9 4681/3.0=64, 3.6/802=25...(5) HA THR 59 + HG2 LYS 60 OK 28 79 45 78 3.9-7.4 4681/3.0=64, 3.6/802=25...(5) HA ARG 61 + HG3 LYS 62 OK 25 90 50 55 3.9-7.0 3609/4.9=28, ~3602=11...(9) HA LYS 60 - HG2 LYS 62 poor 20 100 20 - 5.4-10.4 HA LYS 62 - HG2 LYS 60 poor 20 79 25 - 4.8-9.7 HB THR 59 - HG2 LYS 60 poor 19 53 35 - 4.4-8.3 HB THR 59 - HG3 LYS 60 poor 16 54 30 - 3.8-8.3 HA THR 59 - HG3 LYS 62 far 10 100 10 - 4.7-13.0 HA THR 59 - HG2 LYS 62 far 10 100 10 - 5.3-13.9 HA LYS 62 - HG3 LYS 60 far 8 81 10 - 3.6-10.0 HA LYS 60 - HG3 LYS 62 far 5 100 5 - 5.5-9.7 HB THR 59 - HG3 LYS 62 far 4 76 5 - 5.8-14.0 HB THR 59 - HG2 LYS 62 far 0 76 0 - 6.7-14.0 Violated in 0 structures by 0.00 A. Peak 3113 from cnoeabs.peaks (1.83, 1.43, 24.91 ppm; 4.06 A): 4 out of 19 assignments used, quality = 1.00: * HB2 LYS 62 + HG3 LYS 62 OK 100 100 100 100 2.2-3.0 2.9=100 HB2 LYS 62 + HG2 LYS 62 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 LYS 60 + HG3 LYS 60 OK 78 78 100 100 2.3-3.0 3.0=100 HB2 LYS 60 + HG2 LYS 60 OK 77 77 100 100 2.3-3.0 3.0=100 HB2 LYS 60 - HG2 LYS 62 poor 20 99 20 - 4.5-11.6 HB2 ARG 61 - HG3 LYS 62 poor 18 89 20 - 3.6-8.2 HB2 ARG 61 - HG2 LYS 60 poor 15 64 50 48 4.1-8.2 810/4.8=23, ~3092=4...(16) HB2 LYS 58 - HG3 LYS 60 poor 14 48 30 - 3.2-10.9 HB2 ARG 61 - HG3 LYS 60 poor 13 66 20 - 2.6-8.4 HB2 LYS 58 - HG2 LYS 60 poor 12 47 25 - 2.7-10.6 HB2 ARG 61 - HG2 LYS 62 poor 10 89 30 38 2.7-8.4 327/4.9=19, 3024/3.8=13...(8) HB2 LYS 62 - HG2 LYS 60 far 8 79 10 - 3.8-10.2 HB2 LYS 58 - HG3 LYS 62 far 7 68 10 - 3.5-16.4 HB2 LYS 60 - HG3 LYS 62 far 5 99 5 - 5.0-10.8 HB2 LYS 62 - HG3 LYS 60 far 4 81 5 - 4.1-10.6 HB2 LYS 58 - HG2 LYS 62 far 3 68 5 - 5.1-14.8 HB3 MET 11 - HG2 LYS 62 far 0 99 0 - 8.9-29.6 HB ILE 17 - HG3 LYS 62 far 0 97 0 - 9.1-29.6 HB ILE 17 - HG2 LYS 62 far 0 97 0 - 9.3-28.0 Violated in 0 structures by 0.00 A. Peak 3114 from cnoeabs.peaks (1.77, 1.43, 24.91 ppm; 4.10 A): 4 out of 12 assignments used, quality = 1.00: HB3 LYS 62 + HG2 LYS 62 OK 100 100 100 100 2.3-3.0 2.9=100 * HB3 LYS 62 + HG3 LYS 62 OK 100 100 100 100 2.3-3.0 2.9=100 HB3 LYS 60 + HG3 LYS 60 OK 80 80 100 100 2.3-3.0 3.0=100 HB3 LYS 60 + HG2 LYS 60 OK 79 79 100 100 2.3-3.0 3.0=100 HB3 LYS 60 - HG2 LYS 62 far 15 100 15 - 4.0-10.1 HB2 LYS 58 - HG3 LYS 60 poor 14 46 30 - 3.2-10.9 HB2 LYS 58 - HG2 LYS 60 poor 11 45 25 - 2.7-10.6 HB3 LYS 60 - HG3 LYS 62 far 10 100 10 - 3.9-9.7 HB2 LYS 58 - HG3 LYS 62 far 7 65 10 - 3.5-16.4 HB3 LYS 62 - HG3 LYS 60 far 4 81 5 - 2.8-10.2 HB3 LYS 62 - HG2 LYS 60 far 4 79 5 - 2.5-11.3 HB2 LYS 58 - HG2 LYS 62 far 3 65 5 - 5.1-14.8 Violated in 0 structures by 0.00 A. 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 25 assignments used, quality = 1.00: * HD2 LYS 62 + HG3 LYS 62 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 62 + HG2 LYS 62 OK 100 100 100 100 2.5-3.0 3.0=100 HD3 LYS 62 + HG2 LYS 62 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 62 + HG3 LYS 62 OK 100 100 100 100 2.5-3.0 3.0=100 HD3 LYS 60 + HG3 LYS 60 OK 81 81 100 100 2.5-3.0 2.9=100 HD2 LYS 60 + HG3 LYS 60 OK 81 81 100 100 2.3-3.0 2.9=100 HD3 LYS 60 + HG2 LYS 60 OK 79 79 100 100 2.3-3.0 2.9=100 HD2 LYS 60 + HG2 LYS 60 OK 79 79 100 100 2.5-3.0 2.9=100 HD2 LYS 39 + HG2 LYS 39 OK 70 70 100 100 2.2-3.0 3.0=100 HD3 LYS 39 + HG2 LYS 39 OK 70 70 100 100 2.7-3.0 3.0=100 HD3 LYS 42 - HG2 LYS 39 poor 19 95 20 - 4.7-6.9 HB2 LEU 64 - HG3 LYS 62 far 15 98 15 - 4.5-11.5 HD3 LYS 60 - HG2 LYS 62 far 5 100 5 - 4.6-12.8 HB2 LEU 64 - HG2 LYS 62 far 5 98 5 - 4.2-11.5 HD3 LYS 62 - HG3 LYS 60 far 4 81 5 - 4.3-11.8 HD3 LYS 62 - HG2 LYS 60 far 4 79 5 - 3.9-11.5 HD2 LYS 62 - HG3 LYS 60 far 0 81 0 - 5.1-12.6 HD2 LYS 62 - HG2 LYS 60 far 0 79 0 - 5.1-12.3 HD2 LYS 60 - HG2 LYS 62 far 0 100 0 - 5.4-12.1 HD2 LYS 60 - HG3 LYS 62 far 0 100 0 - 5.6-11.7 HD3 LYS 60 - HG3 LYS 62 far 0 100 0 - 5.7-12.5 HB2 LEU 37 - HG2 LYS 39 far 0 97 0 - 7.8-9.1 HB2 LEU 64 - HG3 LYS 60 far 0 76 0 - 8.3-16.8 HB2 LEU 64 - HG2 LYS 60 far 0 75 0 - 8.8-16.8 HG3 LYS 22 - HG2 LYS 39 far 0 96 0 - 9.8-13.0 Violated in 0 structures by 0.00 A. Peak 3118 from cnoeabs.peaks (1.67, 1.43, 24.91 ppm; 3.54 A): 10 out of 25 assignments used, quality = 1.00: HD3 LYS 62 + HG2 LYS 62 OK 100 100 100 100 2.3-3.0 3.0=100 * HD3 LYS 62 + HG3 LYS 62 OK 100 100 100 100 2.5-3.0 3.0=100 HD2 LYS 62 + HG3 LYS 62 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 62 + HG2 LYS 62 OK 100 100 100 100 2.5-3.0 3.0=100 HD3 LYS 60 + HG3 LYS 60 OK 81 81 100 100 2.5-3.0 2.9=100 HD2 LYS 60 + HG3 LYS 60 OK 80 80 100 100 2.3-3.0 2.9=100 HD3 LYS 60 + HG2 LYS 60 OK 79 79 100 100 2.3-3.0 2.9=100 HD2 LYS 60 + HG2 LYS 60 OK 79 79 100 100 2.5-3.0 2.9=100 HD2 LYS 39 + HG2 LYS 39 OK 68 68 100 100 2.2-3.0 3.0=100 HD3 LYS 39 + HG2 LYS 39 OK 68 68 100 100 2.7-3.0 3.0=100 HD3 LYS 42 - HG2 LYS 39 poor 19 96 20 - 4.7-6.9 HB2 LEU 64 - HG3 LYS 62 far 15 99 15 - 4.5-11.5 HD3 LYS 60 - HG2 LYS 62 far 5 100 5 - 4.6-12.8 HB2 LEU 64 - HG2 LYS 62 far 5 99 5 - 4.2-11.5 HD3 LYS 62 - HG3 LYS 60 far 4 81 5 - 4.3-11.8 HD3 LYS 62 - HG2 LYS 60 far 4 79 5 - 3.9-11.5 HD2 LYS 62 - HG3 LYS 60 far 0 81 0 - 5.1-12.6 HD2 LYS 62 - HG2 LYS 60 far 0 79 0 - 5.1-12.3 HD2 LYS 60 - HG2 LYS 62 far 0 100 0 - 5.4-12.1 HD2 LYS 60 - HG3 LYS 62 far 0 100 0 - 5.6-11.7 HD3 LYS 60 - HG3 LYS 62 far 0 100 0 - 5.7-12.5 HB2 LEU 37 - HG2 LYS 39 far 0 98 0 - 7.8-9.1 HB2 LEU 64 - HG3 LYS 60 far 0 77 0 - 8.3-16.8 HB2 LEU 64 - HG2 LYS 60 far 0 76 0 - 8.8-16.8 HG3 LYS 22 - HG2 LYS 39 far 0 96 0 - 9.8-13.0 Violated in 0 structures by 0.00 A. Peak 3119 from cnoeabs.peaks (2.98, 1.43, 24.91 ppm; 4.38 A): 10 out of 18 assignments used, quality = 1.00: * HE2 LYS 62 + HG3 LYS 62 OK 100 100 100 100 2.2-4.2 3.7=100 HE2 LYS 62 + HG2 LYS 62 OK 100 100 100 100 2.5-3.8 3.7=100 HE3 LYS 62 + HG2 LYS 62 OK 100 100 100 100 2.1-4.2 3.7=100 HE3 LYS 62 + HG3 LYS 62 OK 100 100 100 100 2.5-3.8 3.7=100 HE3 LYS 39 + HG2 LYS 39 OK 99 99 100 100 2.0-3.2 3.6=100 HE2 LYS 39 + HG2 LYS 39 OK 99 99 100 100 2.7-3.9 3.6=100 HE3 LYS 60 + HG3 LYS 60 OK 81 81 100 100 2.1-3.7 3.9=100 HE2 LYS 60 + HG3 LYS 60 OK 81 81 100 100 2.1-4.2 3.9=100 HE3 LYS 60 + HG2 LYS 60 OK 79 79 100 100 2.1-4.2 3.9=100 HE2 LYS 60 + HG2 LYS 60 OK 79 79 100 100 2.4-4.1 3.9=100 HE3 LYS 60 - HG2 LYS 62 far 10 100 10 - 5.2-13.8 HE3 LYS 60 - HG3 LYS 62 far 5 100 5 - 4.5-12.6 HE2 LYS 60 - HG3 LYS 62 far 5 100 5 - 5.2-12.5 HE2 LYS 60 - HG2 LYS 62 far 5 100 5 - 5.5-13.4 HE2 LYS 62 - HG3 LYS 60 far 4 81 5 - 5.5-12.7 HE3 LYS 62 - HG3 LYS 60 far 4 80 5 - 5.8-13.7 HE2 LYS 62 - HG2 LYS 60 far 4 79 5 - 5.9-13.0 HE3 LYS 62 - HG2 LYS 60 far 4 79 5 - 5.5-12.7 Violated in 0 structures by 0.00 A. Peak 3120 from cnoeabs.peaks (2.99, 1.43, 24.91 ppm; 4.37 A): 10 out of 18 assignments used, quality = 1.00: HE3 LYS 62 + HG2 LYS 62 OK 100 100 100 100 2.1-4.2 3.7=100 * HE3 LYS 62 + HG3 LYS 62 OK 100 100 100 100 2.5-3.8 3.7=100 HE2 LYS 62 + HG3 LYS 62 OK 100 100 100 100 2.2-4.2 3.7=100 HE2 LYS 62 + HG2 LYS 62 OK 100 100 100 100 2.5-3.8 3.7=100 HE3 LYS 39 + HG2 LYS 39 OK 98 98 100 100 2.0-3.2 3.6=100 HE2 LYS 39 + HG2 LYS 39 OK 98 98 100 100 2.7-3.9 3.6=100 HE3 LYS 60 + HG3 LYS 60 OK 80 80 100 100 2.1-3.7 3.9=100 HE2 LYS 60 + HG3 LYS 60 OK 80 80 100 100 2.1-4.2 3.9=100 HE3 LYS 60 + HG2 LYS 60 OK 79 79 100 100 2.1-4.2 3.9=100 HE2 LYS 60 + HG2 LYS 60 OK 78 78 100 100 2.4-4.1 3.9=100 HE3 LYS 60 - HG2 LYS 62 far 10 100 10 - 5.2-13.8 HE3 LYS 60 - HG3 LYS 62 far 5 100 5 - 4.5-12.6 HE2 LYS 60 - HG3 LYS 62 far 5 100 5 - 5.2-12.5 HE2 LYS 60 - HG2 LYS 62 far 5 100 5 - 5.5-13.4 HE3 LYS 62 - HG3 LYS 60 far 4 81 5 - 5.8-13.7 HE2 LYS 62 - HG3 LYS 60 far 4 80 5 - 5.5-12.7 HE3 LYS 62 - HG2 LYS 60 far 4 79 5 - 5.5-12.7 HE2 LYS 62 - HG2 LYS 60 far 4 79 5 - 5.9-13.0 Violated in 0 structures by 0.00 A. Peak 3122 from cnoeabs.peaks (4.26, 1.67, 28.78 ppm; 3.98 A): 4 out of 20 assignments used, quality = 1.00: HA LYS 62 + HD3 LYS 62 OK 98 100 100 98 2.1-4.8 5.0=51, 3073/3.4=28...(26) HA LYS 60 + HD3 LYS 60 OK 93 100 95 98 2.0-5.5 5.2=44, 3073/3.7=25...(29) HA LYS 60 + HD2 LYS 60 OK 92 99 95 98 2.1-5.5 5.2=44, 3073/3.7=25...(29) * HA LYS 62 + HD2 LYS 62 OK 88 100 90 98 2.0-5.5 5.0=51, 3073/3.4=28...(26) HB THR 59 - HD2 LYS 60 poor 19 75 25 - 3.1-9.7 HA ARG 61 - HD2 LYS 62 far 14 90 15 - 3.9-8.0 HA ARG 61 - HD3 LYS 60 far 14 90 15 - 4.2-7.6 HB THR 59 - HD3 LYS 60 far 11 76 15 - 2.5-8.9 HA THR 59 - HD3 LYS 60 far 10 100 10 - 4.2-8.3 HA THR 59 - HD2 LYS 60 far 10 100 10 - 3.5-8.5 HA ARG 61 - HD3 LYS 62 far 9 90 10 - 3.7-8.2 HA ARG 61 - HD2 LYS 60 far 9 90 10 - 3.9-7.9 HA LYS 62 - HD2 LYS 60 far 5 100 5 - 4.2-11.1 HA LYS 62 - HD3 LYS 60 far 5 100 5 - 4.8-10.3 HA LYS 60 - HD2 LYS 62 far 5 100 5 - 3.4-11.3 HA LYS 60 - HD3 LYS 62 far 5 100 5 - 4.7-11.2 HA THR 59 - HD2 LYS 62 far 0 100 0 - 6.3-14.2 HB THR 59 - HD2 LYS 62 far 0 76 0 - 6.6-15.1 HA THR 59 - HD3 LYS 62 far 0 100 0 - 6.8-13.9 HB THR 59 - HD3 LYS 62 far 0 76 0 - 7.9-15.1 Violated in 0 structures by 0.00 A. Peak 3124 from cnoeabs.peaks (1.77, 1.67, 28.78 ppm; 2.59 A): 4 out of 12 assignments used, quality = 1.00: HB3 LYS 60 + HD2 LYS 60 OK 85 100 100 86 2.1-4.0 3.7=34, 2951/1.8=11...(39) * HB3 LYS 62 + HD2 LYS 62 OK 81 100 95 86 2.1-4.2 3.4=43, 2951/1.8=11...(36) HB3 LYS 62 + HD3 LYS 62 OK 81 100 95 85 2.3-4.2 3.4=43, 2951/1.8=11...(36) HB3 LYS 60 + HD3 LYS 60 OK 77 100 90 86 2.1-4.2 3.7=34, 2951/1.8=11...(39) HB3 LYS 60 - HD3 LYS 62 far 5 100 5 - 3.9-11.6 HB2 LYS 58 - HD3 LYS 60 far 0 65 0 - 4.5-12.4 HB2 LYS 58 - HD2 LYS 60 far 0 65 0 - 4.6-11.4 HB3 LYS 62 - HD2 LYS 60 far 0 100 0 - 4.6-11.0 HB3 LYS 62 - HD3 LYS 60 far 0 100 0 - 5.2-11.5 HB3 LYS 60 - HD2 LYS 62 far 0 100 0 - 5.7-10.7 HB2 LYS 58 - HD3 LYS 62 far 0 65 0 - 5.9-15.9 HB2 LYS 58 - HD2 LYS 62 far 0 65 0 - 6.1-15.4 Violated in 0 structures by 0.00 A. Peak 3125 from cnoeabs.peaks (1.43, 1.67, 28.78 ppm; 2.87 A): 8 out of 29 assignments used, quality = 1.00: HG3 LYS 60 + HD3 LYS 60 OK 98 99 100 99 2.5-3.0 2.9=93, 3.0/2988=12...(56) HG3 LYS 60 + HD2 LYS 60 OK 98 99 100 99 2.3-3.0 2.9=93, 3.0/2978=13...(56) HG2 LYS 60 + HD3 LYS 60 OK 98 99 100 99 2.3-3.0 2.9=93, 3.0/2988=12...(56) HG2 LYS 60 + HD2 LYS 60 OK 98 99 100 99 2.5-3.0 2.9=93, 3.0/2978=13...(56) HG2 LYS 62 + HD3 LYS 62 OK 98 100 100 98 2.3-3.0 3.0=91, 2.9/3134=13...(43) HG3 LYS 62 + HD3 LYS 62 OK 98 100 100 98 2.5-3.0 3.0=91, 2.9/3134=13...(43) HG3 LYS 62 + HD2 LYS 62 OK 98 100 100 98 2.3-3.0 3.0=91, 2.9/3134=13...(43) * HG2 LYS 62 + HD2 LYS 62 OK 98 100 100 98 2.5-3.0 3.0=91, 2.9/3134=13...(43) HG3 LYS 60 - HD3 LYS 62 far 5 99 5 - 4.3-11.8 HG2 LYS 60 - HD3 LYS 62 far 5 99 5 - 3.9-11.5 HG2 LYS 62 - HD3 LYS 60 far 0 100 0 - 4.6-12.8 HG2 LYS 39 - HD3 LYS 42 far 0 71 0 - 4.7-6.9 HG3 ARG 56 - HD3 LYS 60 far 0 83 0 - 4.7-13.5 HG3 LYS 60 - HD2 LYS 62 far 0 99 0 - 5.1-12.6 HB3 LEU 41 - HD3 LYS 42 far 0 70 0 - 5.1-7.7 HG2 LYS 60 - HD2 LYS 62 far 0 99 0 - 5.1-12.3 HG2 LYS 62 - HD2 LYS 60 far 0 100 0 - 5.4-12.1 HG3 LYS 58 - HD3 LYS 62 far 0 80 0 - 5.4-17.4 HG3 LYS 62 - HD2 LYS 60 far 0 100 0 - 5.6-11.7 HG3 LYS 62 - HD3 LYS 60 far 0 100 0 - 5.7-12.5 HG3 ARG 56 - HD2 LYS 60 far 0 82 0 - 6.0-14.7 HG3 LYS 58 - HD2 LYS 60 far 0 80 0 - 6.1-13.4 HG3 LYS 58 - HD2 LYS 62 far 0 81 0 - 6.2-17.5 HG3 LYS 58 - HD3 LYS 60 far 0 81 0 - 6.6-14.3 HB2 LYS 27 - HD3 LYS 60 far 0 92 0 - 6.8-17.8 HB2 LYS 27 - HD2 LYS 60 far 0 91 0 - 6.8-16.3 HG3 ARG 56 - HD2 LYS 62 far 0 83 0 - 7.5-18.5 HG3 ARG 56 - HD3 LYS 62 far 0 83 0 - 8.5-18.7 HB2 LYS 27 - HD2 LYS 62 far 0 92 0 - 8.7-20.2 Violated in 0 structures by 0.00 A. Peak 3126 from cnoeabs.peaks (1.43, 1.67, 28.78 ppm; 2.87 A): 8 out of 29 assignments used, quality = 1.00: HG3 LYS 60 + HD3 LYS 60 OK 98 99 100 99 2.5-3.0 2.9=93, 3.0/2988=12...(56) HG3 LYS 60 + HD2 LYS 60 OK 98 99 100 99 2.3-3.0 2.9=93, 3.0/2978=13...(56) HG2 LYS 60 + HD3 LYS 60 OK 98 99 100 99 2.3-3.0 2.9=93, 3.0/2988=12...(56) HG2 LYS 60 + HD2 LYS 60 OK 98 99 100 99 2.5-3.0 2.9=93, 3.0/2978=13...(56) HG2 LYS 62 + HD3 LYS 62 OK 98 100 100 98 2.3-3.0 3.0=91, 2.9/3134=13...(43) HG3 LYS 62 + HD3 LYS 62 OK 98 100 100 98 2.5-3.0 3.0=91, 2.9/3134=13...(43) * HG3 LYS 62 + HD2 LYS 62 OK 98 100 100 98 2.3-3.0 3.0=91, 2.9/3134=13...(43) HG2 LYS 62 + HD2 LYS 62 OK 98 100 100 98 2.5-3.0 3.0=91, 2.9/3134=13...(43) HG3 LYS 60 - HD3 LYS 62 far 5 99 5 - 4.3-11.8 HG2 LYS 60 - HD3 LYS 62 far 5 99 5 - 3.9-11.5 HG2 LYS 62 - HD3 LYS 60 far 0 100 0 - 4.6-12.8 HG2 LYS 39 - HD3 LYS 42 far 0 71 0 - 4.7-6.9 HG3 ARG 56 - HD3 LYS 60 far 0 83 0 - 4.7-13.5 HG3 LYS 60 - HD2 LYS 62 far 0 99 0 - 5.1-12.6 HB3 LEU 41 - HD3 LYS 42 far 0 70 0 - 5.1-7.7 HG2 LYS 60 - HD2 LYS 62 far 0 99 0 - 5.1-12.3 HG2 LYS 62 - HD2 LYS 60 far 0 100 0 - 5.4-12.1 HG3 LYS 58 - HD3 LYS 62 far 0 80 0 - 5.4-17.4 HG3 LYS 62 - HD2 LYS 60 far 0 100 0 - 5.6-11.7 HG3 LYS 62 - HD3 LYS 60 far 0 100 0 - 5.7-12.5 HG3 ARG 56 - HD2 LYS 60 far 0 82 0 - 6.0-14.7 HG3 LYS 58 - HD2 LYS 60 far 0 80 0 - 6.1-13.4 HG3 LYS 58 - HD2 LYS 62 far 0 81 0 - 6.2-17.5 HG3 LYS 58 - HD3 LYS 60 far 0 81 0 - 6.6-14.3 HB2 LYS 27 - HD3 LYS 60 far 0 92 0 - 6.8-17.8 HB2 LYS 27 - HD2 LYS 60 far 0 91 0 - 6.8-16.3 HG3 ARG 56 - HD2 LYS 62 far 0 83 0 - 7.5-18.5 HG3 ARG 56 - HD3 LYS 62 far 0 83 0 - 8.5-18.7 HB2 LYS 27 - HD2 LYS 62 far 0 92 0 - 8.7-20.2 Violated in 0 structures by 0.00 A. 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 18 assignments used, quality = 1.00: * HE2 LYS 62 + HD2 LYS 62 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 60 + HD3 LYS 60 OK 100 100 100 100 2.5-3.0 3.0=100 HE2 LYS 60 + HD3 LYS 60 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 62 + HD3 LYS 62 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 60 + HD2 LYS 60 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 62 + HD2 LYS 62 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 60 + HD2 LYS 60 OK 100 100 100 100 2.5-3.0 3.0=100 HE3 LYS 62 + HD3 LYS 62 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 62 - HD3 LYS 60 far 0 100 0 - 4.8-13.3 HE3 LYS 60 - HD2 LYS 62 far 0 100 0 - 5.0-14.6 HE2 LYS 62 - HD2 LYS 60 far 0 100 0 - 5.0-13.0 HE2 LYS 60 - HD2 LYS 62 far 0 100 0 - 5.2-14.4 HE2 LYS 60 - HD3 LYS 62 far 0 100 0 - 6.0-14.0 HE3 LYS 62 - HD2 LYS 60 far 0 100 0 - 6.0-13.1 HE3 LYS 60 - HD3 LYS 62 far 0 100 0 - 6.0-13.3 HE3 LYS 62 - HD3 LYS 60 far 0 100 0 - 6.2-14.2 HE3 LYS 39 - HD3 LYS 42 far 0 72 0 - 6.4-8.5 HE2 LYS 39 - HD3 LYS 42 far 0 72 0 - 7.5-10.1 Violated in 0 structures by 0.00 A. Peak 3130 from cnoeabs.peaks (2.99, 1.67, 28.78 ppm; 2.93 A): 8 out of 18 assignments used, quality = 1.00: * HE3 LYS 62 + HD2 LYS 62 OK 99 100 100 99 2.3-3.0 3.0=96, 1.8/3011=8...(49) HE3 LYS 62 + HD3 LYS 62 OK 99 100 100 99 2.4-3.0 3.0=96, 1.8/3011=8...(49) HE2 LYS 62 + HD2 LYS 62 OK 99 100 100 99 2.4-3.0 3.0=96, 3011/1.8=8...(49) HE2 LYS 62 + HD3 LYS 62 OK 99 100 100 99 2.3-3.0 3.0=96, 3011/1.8=8...(49) HE3 LYS 60 + HD3 LYS 60 OK 99 100 100 99 2.5-3.0 3.0=95, 1.8/3001=8...(42) HE2 LYS 60 + HD3 LYS 60 OK 98 100 100 99 2.3-3.0 3.0=95, 1.8/3001=8...(42) HE3 LYS 60 + HD2 LYS 60 OK 98 100 100 99 2.3-3.0 3.0=95, 1.8/3001=8...(42) HE2 LYS 60 + HD2 LYS 60 OK 98 100 100 99 2.5-3.0 3.0=95, 1.8/3001=8...(42) HE2 LYS 62 - HD3 LYS 60 far 0 100 0 - 4.8-13.3 HE3 LYS 60 - HD2 LYS 62 far 0 100 0 - 5.0-14.6 HE2 LYS 62 - HD2 LYS 60 far 0 100 0 - 5.0-13.0 HE2 LYS 60 - HD2 LYS 62 far 0 100 0 - 5.2-14.4 HE2 LYS 60 - HD3 LYS 62 far 0 100 0 - 6.0-14.0 HE3 LYS 62 - HD2 LYS 60 far 0 100 0 - 6.0-13.1 HE3 LYS 60 - HD3 LYS 62 far 0 100 0 - 6.0-13.3 HE3 LYS 62 - HD3 LYS 60 far 0 100 0 - 6.2-14.2 HE3 LYS 39 - HD3 LYS 42 far 0 71 0 - 6.4-8.5 HE2 LYS 39 - HD3 LYS 42 far 0 71 0 - 7.5-10.1 Violated in 0 structures by 0.00 A. Peak 3132 from cnoeabs.peaks (4.26, 1.67, 28.78 ppm; 3.98 A): 4 out of 20 assignments used, quality = 1.00: * HA LYS 62 + HD3 LYS 62 OK 98 100 100 98 2.1-4.8 5.0=51, 3073/3.4=28...(26) HA LYS 60 + HD3 LYS 60 OK 93 100 95 98 2.0-5.5 5.2=44, 3073/3.7=25...(29) HA LYS 60 + HD2 LYS 60 OK 92 99 95 98 2.1-5.5 5.2=44, 3073/3.7=25...(29) HA LYS 62 + HD2 LYS 62 OK 88 100 90 98 2.0-5.5 5.0=51, 3073/3.4=28...(26) HB THR 59 - HD2 LYS 60 poor 19 75 25 - 3.1-9.7 HA ARG 61 - HD2 LYS 62 far 14 90 15 - 3.9-8.0 HA ARG 61 - HD3 LYS 60 far 14 90 15 - 4.2-7.6 HB THR 59 - HD3 LYS 60 far 11 76 15 - 2.5-8.9 HA THR 59 - HD3 LYS 60 far 10 100 10 - 4.2-8.3 HA THR 59 - HD2 LYS 60 far 10 100 10 - 3.5-8.5 HA ARG 61 - HD3 LYS 62 far 9 90 10 - 3.7-8.2 HA ARG 61 - HD2 LYS 60 far 9 89 10 - 3.9-7.9 HA LYS 62 - HD3 LYS 60 far 5 100 5 - 4.8-10.3 HA LYS 60 - HD2 LYS 62 far 5 100 5 - 3.4-11.3 HA LYS 62 - HD2 LYS 60 far 5 100 5 - 4.2-11.1 HA LYS 60 - HD3 LYS 62 far 5 100 5 - 4.7-11.2 HA THR 59 - HD2 LYS 62 far 0 100 0 - 6.3-14.2 HB THR 59 - HD2 LYS 62 far 0 76 0 - 6.6-15.1 HA THR 59 - HD3 LYS 62 far 0 100 0 - 6.8-13.9 HB THR 59 - HD3 LYS 62 far 0 76 0 - 7.9-15.1 Violated in 0 structures by 0.00 A. Peak 3134 from cnoeabs.peaks (1.77, 1.67, 28.78 ppm; 2.59 A): 4 out of 12 assignments used, quality = 1.00: HB3 LYS 60 + HD2 LYS 60 OK 85 100 100 86 2.1-4.0 3.7=34, 2951/1.8=11...(39) HB3 LYS 62 + HD2 LYS 62 OK 81 100 95 86 2.1-4.2 3.4=43, 2951/1.8=11...(36) * HB3 LYS 62 + HD3 LYS 62 OK 81 100 95 85 2.3-4.2 3.4=43, 2951/1.8=11...(36) HB3 LYS 60 + HD3 LYS 60 OK 77 100 90 86 2.1-4.2 3.7=34, 2951/1.8=11...(39) HB3 LYS 60 - HD3 LYS 62 far 5 100 5 - 3.9-11.6 HB2 LYS 58 - HD3 LYS 60 far 0 65 0 - 4.5-12.4 HB2 LYS 58 - HD2 LYS 60 far 0 64 0 - 4.6-11.4 HB3 LYS 62 - HD2 LYS 60 far 0 100 0 - 4.6-11.0 HB3 LYS 62 - HD3 LYS 60 far 0 100 0 - 5.2-11.5 HB3 LYS 60 - HD2 LYS 62 far 0 100 0 - 5.7-10.7 HB2 LYS 58 - HD3 LYS 62 far 0 65 0 - 5.9-15.9 HB2 LYS 58 - HD2 LYS 62 far 0 65 0 - 6.1-15.4 Violated in 0 structures by 0.00 A. Peak 3135 from cnoeabs.peaks (1.43, 1.67, 28.78 ppm; 2.87 A): 8 out of 29 assignments used, quality = 1.00: HG3 LYS 60 + HD3 LYS 60 OK 98 99 100 99 2.5-3.0 2.9=93, 3.0/2988=12...(56) HG2 LYS 60 + HD3 LYS 60 OK 98 99 100 99 2.3-3.0 2.9=93, 3.0/2988=12...(56) HG3 LYS 60 + HD2 LYS 60 OK 98 99 100 99 2.3-3.0 2.9=93, 3.0/2988=13...(56) * HG2 LYS 62 + HD3 LYS 62 OK 98 100 100 98 2.3-3.0 3.0=91, 2.9/3134=13...(43) HG3 LYS 62 + HD3 LYS 62 OK 98 100 100 98 2.5-3.0 3.0=91, 2.9/3134=13...(43) HG3 LYS 62 + HD2 LYS 62 OK 98 100 100 98 2.3-3.0 3.0=91, 2.9/3134=13...(43) HG2 LYS 62 + HD2 LYS 62 OK 98 100 100 98 2.5-3.0 3.0=91, 2.9/3134=13...(43) HG2 LYS 60 + HD2 LYS 60 OK 98 98 100 99 2.5-3.0 2.9=93, 3.0/2988=13...(56) HG3 LYS 60 - HD3 LYS 62 far 5 99 5 - 4.3-11.8 HG2 LYS 60 - HD3 LYS 62 far 5 99 5 - 3.9-11.5 HG2 LYS 62 - HD3 LYS 60 far 0 100 0 - 4.6-12.8 HG2 LYS 39 - HD3 LYS 42 far 0 74 0 - 4.7-6.9 HG3 ARG 56 - HD3 LYS 60 far 0 83 0 - 4.7-13.5 HG3 LYS 60 - HD2 LYS 62 far 0 99 0 - 5.1-12.6 HB3 LEU 41 - HD3 LYS 42 far 0 72 0 - 5.1-7.7 HG2 LYS 60 - HD2 LYS 62 far 0 99 0 - 5.1-12.3 HG2 LYS 62 - HD2 LYS 60 far 0 100 0 - 5.4-12.1 HG3 LYS 58 - HD3 LYS 62 far 0 81 0 - 5.4-17.4 HG3 LYS 62 - HD2 LYS 60 far 0 100 0 - 5.6-11.7 HG3 LYS 62 - HD3 LYS 60 far 0 100 0 - 5.7-12.5 HG3 ARG 56 - HD2 LYS 60 far 0 82 0 - 6.0-14.7 HG3 LYS 58 - HD2 LYS 60 far 0 80 0 - 6.1-13.4 HG3 LYS 58 - HD2 LYS 62 far 0 80 0 - 6.2-17.5 HG3 LYS 58 - HD3 LYS 60 far 0 80 0 - 6.6-14.3 HB2 LYS 27 - HD3 LYS 60 far 0 92 0 - 6.8-17.8 HB2 LYS 27 - HD2 LYS 60 far 0 91 0 - 6.8-16.3 HG3 ARG 56 - HD2 LYS 62 far 0 83 0 - 7.5-18.5 HG3 ARG 56 - HD3 LYS 62 far 0 83 0 - 8.5-18.7 HB2 LYS 27 - HD2 LYS 62 far 0 92 0 - 8.7-20.2 Violated in 0 structures by 0.00 A. Peak 3136 from cnoeabs.peaks (1.43, 1.67, 28.78 ppm; 2.87 A): 8 out of 29 assignments used, quality = 1.00: HG3 LYS 60 + HD3 LYS 60 OK 98 99 100 99 2.5-3.0 2.9=93, 3.0/2988=12...(56) HG2 LYS 60 + HD3 LYS 60 OK 98 99 100 99 2.3-3.0 2.9=93, 3.0/2988=12...(56) HG3 LYS 60 + HD2 LYS 60 OK 98 99 100 99 2.3-3.0 2.9=93, 3.0/2988=13...(56) HG2 LYS 62 + HD3 LYS 62 OK 98 100 100 98 2.3-3.0 3.0=91, 2.9/3134=13...(43) * HG3 LYS 62 + HD3 LYS 62 OK 98 100 100 98 2.5-3.0 3.0=91, 2.9/3134=13...(43) HG3 LYS 62 + HD2 LYS 62 OK 98 100 100 98 2.3-3.0 3.0=91, 2.9/3134=13...(43) HG2 LYS 62 + HD2 LYS 62 OK 98 100 100 98 2.5-3.0 3.0=91, 2.9/3134=13...(43) HG2 LYS 60 + HD2 LYS 60 OK 98 98 100 99 2.5-3.0 2.9=93, 3.0/2988=13...(56) HG3 LYS 60 - HD3 LYS 62 far 5 99 5 - 4.3-11.8 HG2 LYS 60 - HD3 LYS 62 far 5 99 5 - 3.9-11.5 HG2 LYS 62 - HD3 LYS 60 far 0 100 0 - 4.6-12.8 HG2 LYS 39 - HD3 LYS 42 far 0 74 0 - 4.7-6.9 HG3 ARG 56 - HD3 LYS 60 far 0 83 0 - 4.7-13.5 HG3 LYS 60 - HD2 LYS 62 far 0 99 0 - 5.1-12.6 HB3 LEU 41 - HD3 LYS 42 far 0 72 0 - 5.1-7.7 HG2 LYS 60 - HD2 LYS 62 far 0 99 0 - 5.1-12.3 HG2 LYS 62 - HD2 LYS 60 far 0 100 0 - 5.4-12.1 HG3 LYS 58 - HD3 LYS 62 far 0 81 0 - 5.4-17.4 HG3 LYS 62 - HD2 LYS 60 far 0 100 0 - 5.6-11.7 HG3 LYS 62 - HD3 LYS 60 far 0 100 0 - 5.7-12.5 HG3 ARG 56 - HD2 LYS 60 far 0 82 0 - 6.0-14.7 HG3 LYS 58 - HD2 LYS 60 far 0 80 0 - 6.1-13.4 HG3 LYS 58 - HD2 LYS 62 far 0 80 0 - 6.2-17.5 HG3 LYS 58 - HD3 LYS 60 far 0 80 0 - 6.6-14.3 HB2 LYS 27 - HD3 LYS 60 far 0 92 0 - 6.8-17.8 HB2 LYS 27 - HD2 LYS 60 far 0 91 0 - 6.8-16.3 HG3 ARG 56 - HD2 LYS 62 far 0 83 0 - 7.5-18.5 HG3 ARG 56 - HD3 LYS 62 far 0 83 0 - 8.5-18.7 HB2 LYS 27 - HD2 LYS 62 far 0 92 0 - 8.7-20.2 Violated in 0 structures by 0.00 A. 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 18 assignments used, quality = 1.00: * HE2 LYS 62 + HD3 LYS 62 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 62 + HD2 LYS 62 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 60 + HD3 LYS 60 OK 100 100 100 100 2.5-3.0 3.0=100 HE2 LYS 60 + HD3 LYS 60 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 62 + HD3 LYS 62 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 62 + HD2 LYS 62 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 60 + HD2 LYS 60 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 60 + HD2 LYS 60 OK 100 100 100 100 2.5-3.0 3.0=100 HE2 LYS 62 - HD3 LYS 60 far 0 100 0 - 4.8-13.3 HE3 LYS 60 - HD2 LYS 62 far 0 100 0 - 5.0-14.6 HE2 LYS 62 - HD2 LYS 60 far 0 100 0 - 5.0-13.0 HE2 LYS 60 - HD2 LYS 62 far 0 100 0 - 5.2-14.4 HE2 LYS 60 - HD3 LYS 62 far 0 100 0 - 6.0-14.0 HE3 LYS 62 - HD2 LYS 60 far 0 100 0 - 6.0-13.1 HE3 LYS 60 - HD3 LYS 62 far 0 100 0 - 6.0-13.3 HE3 LYS 62 - HD3 LYS 60 far 0 100 0 - 6.2-14.2 HE3 LYS 39 - HD3 LYS 42 far 0 74 0 - 6.4-8.5 HE2 LYS 39 - HD3 LYS 42 far 0 74 0 - 7.5-10.1 Violated in 0 structures by 0.00 A. Peak 3140 from cnoeabs.peaks (2.99, 1.67, 28.78 ppm; 2.93 A): 8 out of 18 assignments used, quality = 1.00: * HE3 LYS 62 + HD3 LYS 62 OK 99 100 100 99 2.4-3.0 3.0=96, 1.8/3011=8...(49) HE3 LYS 62 + HD2 LYS 62 OK 99 100 100 99 2.3-3.0 3.0=96, 1.8/3011=8...(49) HE2 LYS 62 + HD3 LYS 62 OK 99 100 100 99 2.3-3.0 3.0=96, 3011/1.8=8...(49) HE2 LYS 62 + HD2 LYS 62 OK 99 100 100 99 2.4-3.0 3.0=96, 3011/1.8=8...(49) HE3 LYS 60 + HD3 LYS 60 OK 99 100 100 99 2.5-3.0 3.0=95, 1.8/3001=8...(42) HE2 LYS 60 + HD3 LYS 60 OK 98 100 100 99 2.3-3.0 3.0=95, 1.8/3001=8...(42) HE3 LYS 60 + HD2 LYS 60 OK 98 100 100 99 2.3-3.0 3.0=95, 1.8/3001=8...(42) HE2 LYS 60 + HD2 LYS 60 OK 98 99 100 99 2.5-3.0 3.0=95, 1.8/3001=8...(42) HE2 LYS 62 - HD3 LYS 60 far 0 100 0 - 4.8-13.3 HE3 LYS 60 - HD2 LYS 62 far 0 100 0 - 5.0-14.6 HE2 LYS 62 - HD2 LYS 60 far 0 100 0 - 5.0-13.0 HE2 LYS 60 - HD2 LYS 62 far 0 100 0 - 5.2-14.4 HE2 LYS 60 - HD3 LYS 62 far 0 100 0 - 6.0-14.0 HE3 LYS 62 - HD2 LYS 60 far 0 100 0 - 6.0-13.1 HE3 LYS 60 - HD3 LYS 62 far 0 100 0 - 6.0-13.3 HE3 LYS 62 - HD3 LYS 60 far 0 100 0 - 6.2-14.2 HE3 LYS 39 - HD3 LYS 42 far 0 73 0 - 6.4-8.5 HE2 LYS 39 - HD3 LYS 42 far 0 73 0 - 7.5-10.1 Violated in 0 structures by 0.00 A. Peak 3143 from cnoeabs.peaks (1.83, 2.98, 42.11 ppm; 3.95 A): 4 out of 23 assignments used, quality = 1.00: HB2 LYS 60 + HE3 LYS 60 OK 98 99 100 99 2.0-5.1 4.9=52, 1.8/3144=18...(53) HB2 LYS 60 + HE2 LYS 60 OK 98 98 100 99 2.8-5.0 4.9=52, 1.8/2998=18...(53) * HB2 LYS 62 + HE2 LYS 62 OK 94 100 95 99 2.0-5.5 4.6=63, 1.8/3144=18...(55) HB2 LYS 62 + HE3 LYS 62 OK 94 100 95 99 2.2-5.5 4.6=63, 1.8/3154=18...(55) HB2 LYS 58 - HE3 LYS 60 poor 13 67 20 - 2.8-12.2 HB2 LYS 60 - HE2 LYS 62 far 10 99 10 - 3.7-12.1 HB2 ARG 61 - HE3 LYS 60 far 9 88 10 - 3.2-9.3 HB2 ARG 61 - HE2 LYS 60 far 9 88 10 - 3.9-10.0 HB2 ARG 61 - HE3 LYS 62 far 9 88 10 - 4.9-9.7 HB2 LYS 58 - HE2 LYS 62 far 7 68 10 - 4.1-17.6 HB2 LYS 58 - HE2 LYS 60 far 7 67 10 - 3.6-12.1 HB2 LYS 58 - HE3 LYS 62 far 7 67 10 - 4.2-17.7 HB2 LYS 62 - HE3 LYS 60 far 5 100 5 - 4.5-11.9 HB2 LYS 62 - HE2 LYS 60 far 5 100 5 - 5.2-11.4 HB2 LYS 60 - HE3 LYS 62 far 5 98 5 - 4.9-12.0 HB2 ARG 61 - HE2 LYS 62 far 4 89 5 - 3.8-10.6 HB3 MET 11 - HE2 LYS 62 far 0 99 0 - 6.6-33.0 HB3 MET 11 - HE3 LYS 62 far 0 98 0 - 7.0-32.7 HB ILE 17 - HE3 LYS 62 far 0 97 0 - 8.2-29.9 HB3 GLN 47 - HE3 LYS 49 far 0 99 0 - 8.5-11.8 HB3 GLN 47 - HE2 LYS 49 far 0 99 0 - 8.8-11.5 HB ILE 17 - HE2 LYS 62 far 0 97 0 - 9.7-30.3 HD2 LYS 22 - HE2 LYS 39 far 0 66 0 - 10.0-13.6 Violated in 0 structures by 0.00 A. Peak 3144 from cnoeabs.peaks (1.77, 2.98, 42.11 ppm; 4.06 A): 4 out of 13 assignments used, quality = 1.00: * HB3 LYS 62 + HE2 LYS 62 OK 99 100 100 99 2.6-4.8 4.6=68, 3134/3.0=22...(49) HB3 LYS 62 + HE3 LYS 62 OK 99 100 100 99 2.0-5.2 4.6=68, 3134/3.0=22...(49) HB3 LYS 60 + HE3 LYS 60 OK 98 100 100 99 2.3-4.9 4.9=56, 2978/3.0=23...(47) HB3 LYS 60 + HE2 LYS 60 OK 98 100 100 99 2.0-5.1 4.9=56, 2978/3.0=23...(47) HB2 LYS 58 - HE3 LYS 60 poor 13 65 20 - 2.8-12.2 HB3 LYS 62 - HE3 LYS 60 far 10 100 10 - 3.7-12.7 HB2 LYS 58 - HE2 LYS 62 far 7 65 10 - 4.1-17.6 HB2 LYS 58 - HE2 LYS 60 far 6 64 10 - 3.6-12.1 HB2 LYS 58 - HE3 LYS 62 far 6 64 10 - 4.2-17.7 HB3 LYS 60 - HE2 LYS 62 far 5 100 5 - 3.2-11.2 HB3 LYS 62 - HE2 LYS 60 far 5 100 5 - 4.1-12.4 HB3 LYS 60 - HE3 LYS 62 far 5 100 5 - 3.9-11.6 HB2 PRO 32 - HE2 LYS 39 far 0 50 0 - 8.7-11.7 Violated in 0 structures by 0.00 A. Peak 3145 from cnoeabs.peaks (1.43, 2.98, 42.11 ppm; 3.24 A): 10 out of 38 assignments used, quality = 1.00: HG3 LYS 60 + HE3 LYS 60 OK 95 99 100 96 2.1-3.7 3.9=56, 3.0/2997=10...(54) HG3 LYS 62 + HE2 LYS 62 OK 95 100 100 95 2.2-4.2 3.7=65, 2.9/3143=10...(44) * HG2 LYS 62 + HE2 LYS 62 OK 95 100 100 95 2.5-3.8 3.7=65, 2.9/3143=10...(44) HG3 LYS 60 + HE2 LYS 60 OK 95 99 100 96 2.1-4.2 3.9=56, 3.0/2997=10...(54) HG2 LYS 62 + HE3 LYS 62 OK 95 100 100 95 2.1-4.2 3.7=65, 2.9/3153=10...(44) HG3 LYS 62 + HE3 LYS 62 OK 95 100 100 95 2.5-3.8 3.7=65, 2.9/3153=10...(44) HG2 LYS 60 + HE3 LYS 60 OK 95 99 100 96 2.1-4.2 3.9=56, 3.0/2997=10...(54) HG2 LYS 60 + HE2 LYS 60 OK 95 98 100 96 2.4-4.1 3.9=56, 3.0/2997=10...(54) HG2 LYS 39 + HE3 LYS 39 OK 67 70 100 96 2.0-3.2 3.6=72, ~2050=15...(40) HG2 LYS 39 + HE2 LYS 39 OK 67 70 100 96 2.7-3.9 3.6=72, ~2050=15...(40) HG3 LYS 58 - HE2 LYS 62 far 8 81 10 - 3.4-19.0 HG3 LYS 58 - HE3 LYS 62 far 8 80 10 - 4.2-19.3 HG3 LYS 62 - HE3 LYS 60 far 5 100 5 - 4.5-12.6 HG3 ARG 56 - HE2 LYS 60 far 4 82 5 - 4.7-14.0 HG3 LYS 58 - HE3 LYS 60 far 4 80 5 - 4.5-14.3 HG3 LYS 58 - HE2 LYS 60 far 0 79 0 - 4.9-14.3 HG3 ARG 56 - HE3 LYS 60 far 0 82 0 - 5.2-14.7 HG2 LYS 62 - HE3 LYS 60 far 0 100 0 - 5.2-13.8 HG3 LYS 62 - HE2 LYS 60 far 0 100 0 - 5.2-12.5 HG3 LYS 60 - HE2 LYS 62 far 0 99 0 - 5.5-12.7 HG2 LYS 60 - HE3 LYS 62 far 0 98 0 - 5.5-12.7 HG2 LYS 62 - HE2 LYS 60 far 0 100 0 - 5.5-13.4 HG3 ARG 56 - HE3 LYS 62 far 0 82 0 - 5.8-18.6 HG3 LYS 60 - HE3 LYS 62 far 0 99 0 - 5.8-13.7 HG2 LYS 60 - HE2 LYS 62 far 0 99 0 - 5.9-13.0 HG3 ARG 56 - HE2 LYS 62 far 0 83 0 - 7.3-18.1 HB2 LYS 27 - HE3 LYS 62 far 0 91 0 - 7.9-21.0 HB3 LEU 29 - HE3 LYS 49 far 0 60 0 - 7.9-11.5 HB2 LYS 27 - HE2 LYS 60 far 0 91 0 - 7.9-16.7 HG3 ARG 56 - HE3 LYS 49 far 0 80 0 - 8.2-14.6 HB2 LYS 27 - HE3 LYS 60 far 0 91 0 - 8.3-17.4 HB3 LEU 29 - HE2 LYS 49 far 0 60 0 - 8.6-11.8 HB2 LYS 27 - HE3 LYS 49 far 0 89 0 - 8.6-15.4 HG3 ARG 56 - HE2 LYS 49 far 0 80 0 - 9.5-15.4 HB2 LYS 27 - HE2 LYS 62 far 0 92 0 - 9.6-20.6 HB3 LEU 41 - HE3 LYS 39 far 0 69 0 - 9.6-11.5 HB3 LEU 41 - HE2 LYS 39 far 0 69 0 - 9.8-12.3 HB2 LYS 27 - HE2 LYS 49 far 0 89 0 - 9.8-14.1 Violated in 0 structures by 0.00 A. Peak 3146 from cnoeabs.peaks (1.43, 2.98, 42.11 ppm; 3.24 A): 10 out of 38 assignments used, quality = 1.00: HG3 LYS 60 + HE3 LYS 60 OK 95 99 100 96 2.1-3.7 3.9=56, 3.0/2997=10...(54) * HG3 LYS 62 + HE2 LYS 62 OK 95 100 100 95 2.2-4.2 3.7=65, 2.9/3143=10...(44) HG2 LYS 62 + HE2 LYS 62 OK 95 100 100 95 2.5-3.8 3.7=65, 2.9/3143=10...(44) HG3 LYS 60 + HE2 LYS 60 OK 95 99 100 96 2.1-4.2 3.9=56, 3.0/2997=10...(54) HG2 LYS 62 + HE3 LYS 62 OK 95 100 100 95 2.1-4.2 3.7=65, 2.9/3153=10...(44) HG3 LYS 62 + HE3 LYS 62 OK 95 100 100 95 2.5-3.8 3.7=65, 2.9/3153=10...(44) HG2 LYS 60 + HE3 LYS 60 OK 95 99 100 96 2.1-4.2 3.9=56, 3.0/2997=10...(54) HG2 LYS 60 + HE2 LYS 60 OK 95 98 100 96 2.4-4.1 3.9=56, 3.0/2997=10...(54) HG2 LYS 39 + HE3 LYS 39 OK 67 70 100 96 2.0-3.2 3.6=72, ~2050=15...(40) HG2 LYS 39 + HE2 LYS 39 OK 67 70 100 96 2.7-3.9 3.6=72, ~2050=15...(40) HG3 LYS 58 - HE2 LYS 62 far 8 81 10 - 3.4-19.0 HG3 LYS 58 - HE3 LYS 62 far 8 80 10 - 4.2-19.3 HG3 LYS 62 - HE3 LYS 60 far 5 100 5 - 4.5-12.6 HG3 ARG 56 - HE2 LYS 60 far 4 82 5 - 4.7-14.0 HG3 LYS 58 - HE3 LYS 60 far 4 80 5 - 4.5-14.3 HG3 LYS 58 - HE2 LYS 60 far 0 79 0 - 4.9-14.3 HG3 ARG 56 - HE3 LYS 60 far 0 82 0 - 5.2-14.7 HG2 LYS 62 - HE3 LYS 60 far 0 100 0 - 5.2-13.8 HG3 LYS 62 - HE2 LYS 60 far 0 100 0 - 5.2-12.5 HG3 LYS 60 - HE2 LYS 62 far 0 99 0 - 5.5-12.7 HG2 LYS 60 - HE3 LYS 62 far 0 98 0 - 5.5-12.7 HG2 LYS 62 - HE2 LYS 60 far 0 100 0 - 5.5-13.4 HG3 ARG 56 - HE3 LYS 62 far 0 82 0 - 5.8-18.6 HG3 LYS 60 - HE3 LYS 62 far 0 99 0 - 5.8-13.7 HG2 LYS 60 - HE2 LYS 62 far 0 99 0 - 5.9-13.0 HG3 ARG 56 - HE2 LYS 62 far 0 83 0 - 7.3-18.1 HB2 LYS 27 - HE3 LYS 62 far 0 91 0 - 7.9-21.0 HB3 LEU 29 - HE3 LYS 49 far 0 60 0 - 7.9-11.5 HB2 LYS 27 - HE2 LYS 60 far 0 91 0 - 7.9-16.7 HG3 ARG 56 - HE3 LYS 49 far 0 80 0 - 8.2-14.6 HB2 LYS 27 - HE3 LYS 60 far 0 91 0 - 8.3-17.4 HB3 LEU 29 - HE2 LYS 49 far 0 60 0 - 8.6-11.8 HB2 LYS 27 - HE3 LYS 49 far 0 89 0 - 8.6-15.4 HG3 ARG 56 - HE2 LYS 49 far 0 80 0 - 9.5-15.4 HB2 LYS 27 - HE2 LYS 62 far 0 92 0 - 9.6-20.6 HB3 LEU 41 - HE3 LYS 39 far 0 69 0 - 9.6-11.5 HB3 LEU 41 - HE2 LYS 39 far 0 69 0 - 9.8-12.3 HB2 LYS 27 - HE2 LYS 49 far 0 89 0 - 9.8-14.1 Violated in 0 structures by 0.00 A. Peak 3147 from cnoeabs.peaks (1.67, 2.98, 42.11 ppm; 2.93 A): 12 out of 30 assignments used, quality = 1.00: HD3 LYS 62 + HE2 LYS 62 OK 99 100 100 99 2.3-3.0 3.0=96, 3140/1.8=8...(43) * HD2 LYS 62 + HE2 LYS 62 OK 99 100 100 99 2.4-3.0 3.0=96, 3140/1.8=8...(43) HD2 LYS 62 + HE3 LYS 62 OK 99 100 100 99 2.3-3.0 3.0=96, 3140/1.8=8...(43) HD3 LYS 62 + HE3 LYS 62 OK 99 100 100 99 2.4-3.0 3.0=96, 3140/1.8=8...(43) HD3 LYS 60 + HE3 LYS 60 OK 98 100 100 98 2.5-3.0 3.0=95, 3140/1.8=8...(36) HD3 LYS 60 + HE2 LYS 60 OK 98 100 100 98 2.3-3.0 3.0=95, 3140/1.8=8...(36) HD2 LYS 60 + HE3 LYS 60 OK 98 100 100 98 2.3-3.0 3.0=95, 3130/1.8=8...(36) HD2 LYS 60 + HE2 LYS 60 OK 98 100 100 98 2.5-3.0 3.0=95, 3130/1.8=8...(36) HD3 LYS 39 + HE2 LYS 39 OK 43 44 100 97 2.2-2.5 3.0=94, 2040/3.6=12...(21) HD2 LYS 39 + HE2 LYS 39 OK 43 44 100 97 2.4-3.0 3.0=94, 2040/3.6=12...(21) HD2 LYS 39 + HE3 LYS 39 OK 43 44 100 97 2.4-3.0 3.0=94, 2040/3.6=12...(21) HD3 LYS 39 + HE3 LYS 39 OK 43 44 100 97 2.7-3.0 3.0=94, 2040/3.6=12...(21) HG13 ILE 50 - HE2 LYS 49 poor 19 75 25 - 4.1-8.9 HB2 LEU 64 - HE2 LYS 62 far 10 98 10 - 3.1-12.6 HB2 LEU 64 - HE3 LYS 62 far 5 97 5 - 3.8-12.8 HG13 ILE 50 - HE3 LYS 49 far 4 75 5 - 4.0-8.8 HD3 LYS 60 - HE2 LYS 62 far 0 100 0 - 4.8-13.3 HD2 LYS 62 - HE3 LYS 60 far 0 100 0 - 5.0-14.6 HD2 LYS 60 - HE2 LYS 62 far 0 100 0 - 5.0-13.0 HD2 LYS 62 - HE2 LYS 60 far 0 100 0 - 5.2-14.4 HD3 LYS 62 - HE2 LYS 60 far 0 100 0 - 6.0-14.0 HD2 LYS 60 - HE3 LYS 62 far 0 100 0 - 6.0-13.1 HD3 LYS 62 - HE3 LYS 60 far 0 100 0 - 6.0-13.3 HD3 LYS 60 - HE3 LYS 62 far 0 100 0 - 6.2-14.2 HD3 LYS 42 - HE3 LYS 39 far 0 65 0 - 6.4-8.5 HD3 LYS 42 - HE2 LYS 39 far 0 65 0 - 7.5-10.1 HB2 LEU 64 - HE2 LYS 60 far 0 97 0 - 8.2-17.7 HB2 LEU 37 - HE3 LYS 39 far 0 69 0 - 8.3-10.3 HB2 LEU 37 - HE2 LYS 39 far 0 69 0 - 8.3-10.1 HB2 LEU 64 - HE3 LYS 60 far 0 97 0 - 9.1-18.6 Violated in 0 structures by 0.00 A. Peak 3148 from cnoeabs.peaks (1.67, 2.98, 42.11 ppm; 2.93 A): 12 out of 30 assignments used, quality = 1.00: * HD3 LYS 62 + HE2 LYS 62 OK 99 100 100 99 2.3-3.0 3.0=96, 3140/1.8=8...(43) HD2 LYS 62 + HE2 LYS 62 OK 99 100 100 99 2.4-3.0 3.0=96, 3140/1.8=8...(43) HD3 LYS 62 + HE3 LYS 62 OK 99 100 100 99 2.4-3.0 3.0=96, 3140/1.8=8...(43) HD2 LYS 62 + HE3 LYS 62 OK 99 100 100 99 2.3-3.0 3.0=96, 3140/1.8=8...(43) HD3 LYS 60 + HE3 LYS 60 OK 98 100 100 98 2.5-3.0 3.0=95, 3140/1.8=8...(36) HD3 LYS 60 + HE2 LYS 60 OK 98 100 100 98 2.3-3.0 3.0=95, 3140/1.8=8...(36) HD2 LYS 60 + HE3 LYS 60 OK 98 100 100 98 2.3-3.0 3.0=95, 3130/1.8=8...(36) HD2 LYS 60 + HE2 LYS 60 OK 98 100 100 98 2.5-3.0 3.0=95, 3130/1.8=8...(36) HD3 LYS 39 + HE2 LYS 39 OK 41 42 100 97 2.2-2.5 3.0=94, 2040/3.6=12...(21) HD2 LYS 39 + HE2 LYS 39 OK 41 42 100 97 2.4-3.0 3.0=94, 2040/3.6=12...(21) HD2 LYS 39 + HE3 LYS 39 OK 41 42 100 97 2.4-3.0 3.0=94, 2040/3.6=12...(21) HD3 LYS 39 + HE3 LYS 39 OK 41 42 100 97 2.7-3.0 3.0=94, 2040/3.6=12...(21) HG13 ILE 50 - HE2 LYS 49 poor 18 73 25 - 4.1-8.9 HB2 LEU 64 - HE2 LYS 62 far 10 99 10 - 3.1-12.6 HB2 LEU 64 - HE3 LYS 62 far 5 98 5 - 3.8-12.8 HG13 ILE 50 - HE3 LYS 49 far 4 73 5 - 4.0-8.8 HD3 LYS 60 - HE2 LYS 62 far 0 100 0 - 4.8-13.3 HD2 LYS 62 - HE3 LYS 60 far 0 100 0 - 5.0-14.6 HD2 LYS 60 - HE2 LYS 62 far 0 100 0 - 5.0-13.0 HD2 LYS 62 - HE2 LYS 60 far 0 100 0 - 5.2-14.4 HD3 LYS 62 - HE2 LYS 60 far 0 100 0 - 6.0-14.0 HD2 LYS 60 - HE3 LYS 62 far 0 100 0 - 6.0-13.1 HD3 LYS 62 - HE3 LYS 60 far 0 100 0 - 6.0-13.3 HD3 LYS 60 - HE3 LYS 62 far 0 100 0 - 6.2-14.2 HD3 LYS 42 - HE3 LYS 39 far 0 66 0 - 6.4-8.5 HD3 LYS 42 - HE2 LYS 39 far 0 66 0 - 7.5-10.1 HB2 LEU 64 - HE2 LYS 60 far 0 98 0 - 8.2-17.7 HB2 LEU 37 - HE3 LYS 39 far 0 69 0 - 8.3-10.3 HB2 LEU 37 - HE2 LYS 39 far 0 69 0 - 8.3-10.1 HB2 LEU 64 - HE3 LYS 60 far 0 98 0 - 9.1-18.6 Violated in 0 structures by 0.00 A. 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 23 assignments used, quality = 1.00: HB2 LYS 60 + HE3 LYS 60 OK 97 98 100 99 2.0-5.1 4.9=52, 1.8/3154=18...(53) HB2 LYS 60 + HE2 LYS 60 OK 96 97 100 99 2.8-5.0 4.9=52, 1.8/3154=18...(53) * HB2 LYS 62 + HE3 LYS 62 OK 94 100 95 99 2.2-5.5 4.6=63, 1.8/3154=18...(55) HB2 LYS 62 + HE2 LYS 62 OK 94 100 95 99 2.0-5.5 4.6=63, 1.8/3154=18...(55) HB2 LYS 58 - HE3 LYS 60 poor 13 66 20 - 2.8-12.2 HB2 LYS 60 - HE2 LYS 62 far 10 98 10 - 3.7-12.1 HB2 ARG 61 - HE3 LYS 62 far 9 89 10 - 4.9-9.7 HB2 ARG 61 - HE3 LYS 60 far 9 87 10 - 3.2-9.3 HB2 ARG 61 - HE2 LYS 60 far 9 86 10 - 3.9-10.0 HB2 LYS 58 - HE3 LYS 62 far 7 68 10 - 4.2-17.7 HB2 LYS 58 - HE2 LYS 62 far 7 67 10 - 4.1-17.6 HB2 LYS 58 - HE2 LYS 60 far 7 65 10 - 3.6-12.1 HB2 LYS 62 - HE3 LYS 60 far 5 99 5 - 4.5-11.9 HB2 LYS 60 - HE3 LYS 62 far 5 99 5 - 4.9-12.0 HB2 LYS 62 - HE2 LYS 60 far 5 99 5 - 5.2-11.4 HB2 ARG 61 - HE2 LYS 62 far 4 88 5 - 3.8-10.6 HB3 MET 11 - HE2 LYS 62 far 0 98 0 - 6.6-33.0 HB3 MET 11 - HE3 LYS 62 far 0 99 0 - 7.0-32.7 HB ILE 17 - HE3 LYS 62 far 0 97 0 - 8.2-29.9 HB3 GLN 47 - HE3 LYS 49 far 0 96 0 - 8.5-11.8 HB3 GLN 47 - HE2 LYS 49 far 0 96 0 - 8.8-11.5 HB ILE 17 - HE2 LYS 62 far 0 97 0 - 9.7-30.3 HD2 LYS 22 - HE2 LYS 39 far 0 64 0 - 10.0-13.6 Violated in 0 structures by 0.00 A. Peak 3154 from cnoeabs.peaks (1.77, 2.99, 42.11 ppm; 4.06 A): 4 out of 13 assignments used, quality = 1.00: * HB3 LYS 62 + HE3 LYS 62 OK 99 100 100 99 2.0-5.2 4.6=68, 3134/3.0=22...(49) HB3 LYS 62 + HE2 LYS 62 OK 99 100 100 99 2.6-4.8 4.6=68, 3134/3.0=22...(49) HB3 LYS 60 + HE3 LYS 60 OK 98 99 100 99 2.3-4.9 4.9=56, 2978/3.0=23...(47) HB3 LYS 60 + HE2 LYS 60 OK 97 99 100 99 2.0-5.1 4.9=56, 2978/3.0=23...(47) HB2 LYS 58 - HE3 LYS 60 poor 13 64 20 - 2.8-12.2 HB3 LYS 62 - HE3 LYS 60 far 10 99 10 - 3.7-12.7 HB2 LYS 58 - HE3 LYS 62 far 7 65 10 - 4.2-17.7 HB2 LYS 58 - HE2 LYS 62 far 6 64 10 - 4.1-17.6 HB2 LYS 58 - HE2 LYS 60 far 6 63 10 - 3.6-12.1 HB3 LYS 60 - HE3 LYS 62 far 5 100 5 - 3.9-11.6 HB3 LYS 60 - HE2 LYS 62 far 5 100 5 - 3.2-11.2 HB3 LYS 62 - HE2 LYS 60 far 5 99 5 - 4.1-12.4 HB2 PRO 32 - HE2 LYS 39 far 0 48 0 - 8.7-11.7 Violated in 0 structures by 0.00 A. Peak 3155 from cnoeabs.peaks (1.43, 2.99, 42.11 ppm; 3.24 A): 10 out of 38 assignments used, quality = 1.00: * HG2 LYS 62 + HE3 LYS 62 OK 95 100 100 95 2.1-4.2 3.7=65, 2.9/3153=10...(44) HG3 LYS 62 + HE3 LYS 62 OK 95 100 100 95 2.5-3.8 3.7=65, 2.9/3153=10...(44) HG3 LYS 62 + HE2 LYS 62 OK 95 100 100 95 2.2-4.2 3.7=65, 2.9/3153=10...(44) HG2 LYS 62 + HE2 LYS 62 OK 95 100 100 95 2.5-3.8 3.7=65, 2.9/3153=10...(44) HG3 LYS 60 + HE3 LYS 60 OK 95 98 100 96 2.1-3.7 3.9=56, 3.0/3007=10...(54) HG2 LYS 60 + HE3 LYS 60 OK 94 98 100 96 2.1-4.2 3.9=56, 3.0/3007=10...(54) HG3 LYS 60 + HE2 LYS 60 OK 94 98 100 96 2.1-4.2 3.9=56, 3.0/3007=10...(54) HG2 LYS 60 + HE2 LYS 60 OK 94 97 100 96 2.4-4.1 3.9=56, 3.0/3007=10...(54) HG2 LYS 39 + HE3 LYS 39 OK 65 68 100 96 2.0-3.2 3.6=72, ~2050=15...(40) HG2 LYS 39 + HE2 LYS 39 OK 65 68 100 96 2.7-3.9 3.6=72, ~2050=15...(40) HG3 LYS 58 - HE3 LYS 62 far 8 81 10 - 4.2-19.3 HG3 LYS 58 - HE2 LYS 62 far 8 80 10 - 3.4-19.0 HG3 LYS 62 - HE3 LYS 60 far 5 99 5 - 4.5-12.6 HG3 ARG 56 - HE2 LYS 60 far 4 80 5 - 4.7-14.0 HG3 LYS 58 - HE3 LYS 60 far 4 79 5 - 4.5-14.3 HG3 LYS 58 - HE2 LYS 60 far 0 78 0 - 4.9-14.3 HG3 ARG 56 - HE3 LYS 60 far 0 81 0 - 5.2-14.7 HG2 LYS 62 - HE3 LYS 60 far 0 99 0 - 5.2-13.8 HG3 LYS 62 - HE2 LYS 60 far 0 99 0 - 5.2-12.5 HG3 LYS 60 - HE2 LYS 62 far 0 99 0 - 5.5-12.7 HG2 LYS 60 - HE3 LYS 62 far 0 99 0 - 5.5-12.7 HG2 LYS 62 - HE2 LYS 60 far 0 99 0 - 5.5-13.4 HG3 ARG 56 - HE3 LYS 62 far 0 83 0 - 5.8-18.6 HG3 LYS 60 - HE3 LYS 62 far 0 99 0 - 5.8-13.7 HG2 LYS 60 - HE2 LYS 62 far 0 98 0 - 5.9-13.0 HG3 ARG 56 - HE2 LYS 62 far 0 82 0 - 7.3-18.1 HB2 LYS 27 - HE3 LYS 62 far 0 92 0 - 7.9-21.0 HB3 LEU 29 - HE3 LYS 49 far 0 57 0 - 7.9-11.5 HB2 LYS 27 - HE2 LYS 60 far 0 89 0 - 7.9-16.7 HG3 ARG 56 - HE3 LYS 49 far 0 76 0 - 8.2-14.6 HB2 LYS 27 - HE3 LYS 60 far 0 90 0 - 8.3-17.4 HB3 LEU 29 - HE2 LYS 49 far 0 57 0 - 8.6-11.8 HB2 LYS 27 - HE3 LYS 49 far 0 85 0 - 8.6-15.4 HG3 ARG 56 - HE2 LYS 49 far 0 76 0 - 9.5-15.4 HB2 LYS 27 - HE2 LYS 62 far 0 91 0 - 9.6-20.6 HB3 LEU 41 - HE3 LYS 39 far 0 66 0 - 9.6-11.5 HB3 LEU 41 - HE2 LYS 39 far 0 66 0 - 9.8-12.3 HB2 LYS 27 - HE2 LYS 49 far 0 85 0 - 9.8-14.1 Violated in 0 structures by 0.00 A. Peak 3156 from cnoeabs.peaks (1.43, 2.99, 42.11 ppm; 3.24 A): 10 out of 38 assignments used, quality = 1.00: HG2 LYS 62 + HE3 LYS 62 OK 95 100 100 95 2.1-4.2 3.7=65, 2.9/3153=10...(44) * HG3 LYS 62 + HE3 LYS 62 OK 95 100 100 95 2.5-3.8 3.7=65, 2.9/3153=10...(44) HG3 LYS 62 + HE2 LYS 62 OK 95 100 100 95 2.2-4.2 3.7=65, 2.9/3153=10...(44) HG2 LYS 62 + HE2 LYS 62 OK 95 100 100 95 2.5-3.8 3.7=65, 2.9/3153=10...(44) HG3 LYS 60 + HE3 LYS 60 OK 95 98 100 96 2.1-3.7 3.9=56, 3.0/3007=10...(54) HG2 LYS 60 + HE3 LYS 60 OK 94 98 100 96 2.1-4.2 3.9=56, 3.0/3007=10...(54) HG3 LYS 60 + HE2 LYS 60 OK 94 98 100 96 2.1-4.2 3.9=56, 3.0/3007=10...(54) HG2 LYS 60 + HE2 LYS 60 OK 94 97 100 96 2.4-4.1 3.9=56, 3.0/3007=10...(54) HG2 LYS 39 + HE3 LYS 39 OK 65 68 100 96 2.0-3.2 3.6=72, ~2050=15...(40) HG2 LYS 39 + HE2 LYS 39 OK 65 68 100 96 2.7-3.9 3.6=72, ~2050=15...(40) HG3 LYS 58 - HE3 LYS 62 far 8 81 10 - 4.2-19.3 HG3 LYS 58 - HE2 LYS 62 far 8 80 10 - 3.4-19.0 HG3 LYS 62 - HE3 LYS 60 far 5 99 5 - 4.5-12.6 HG3 ARG 56 - HE2 LYS 60 far 4 80 5 - 4.7-14.0 HG3 LYS 58 - HE3 LYS 60 far 4 79 5 - 4.5-14.3 HG3 LYS 58 - HE2 LYS 60 far 0 78 0 - 4.9-14.3 HG3 ARG 56 - HE3 LYS 60 far 0 81 0 - 5.2-14.7 HG2 LYS 62 - HE3 LYS 60 far 0 99 0 - 5.2-13.8 HG3 LYS 62 - HE2 LYS 60 far 0 99 0 - 5.2-12.5 HG3 LYS 60 - HE2 LYS 62 far 0 99 0 - 5.5-12.7 HG2 LYS 60 - HE3 LYS 62 far 0 99 0 - 5.5-12.7 HG2 LYS 62 - HE2 LYS 60 far 0 99 0 - 5.5-13.4 HG3 ARG 56 - HE3 LYS 62 far 0 83 0 - 5.8-18.6 HG3 LYS 60 - HE3 LYS 62 far 0 99 0 - 5.8-13.7 HG2 LYS 60 - HE2 LYS 62 far 0 98 0 - 5.9-13.0 HG3 ARG 56 - HE2 LYS 62 far 0 82 0 - 7.3-18.1 HB2 LYS 27 - HE3 LYS 62 far 0 92 0 - 7.9-21.0 HB3 LEU 29 - HE3 LYS 49 far 0 57 0 - 7.9-11.5 HB2 LYS 27 - HE2 LYS 60 far 0 89 0 - 7.9-16.7 HG3 ARG 56 - HE3 LYS 49 far 0 76 0 - 8.2-14.6 HB2 LYS 27 - HE3 LYS 60 far 0 90 0 - 8.3-17.4 HB3 LEU 29 - HE2 LYS 49 far 0 57 0 - 8.6-11.8 HB2 LYS 27 - HE3 LYS 49 far 0 85 0 - 8.6-15.4 HG3 ARG 56 - HE2 LYS 49 far 0 76 0 - 9.5-15.4 HB2 LYS 27 - HE2 LYS 62 far 0 91 0 - 9.6-20.6 HB3 LEU 41 - HE3 LYS 39 far 0 66 0 - 9.6-11.5 HB3 LEU 41 - HE2 LYS 39 far 0 66 0 - 9.8-12.3 HB2 LYS 27 - HE2 LYS 49 far 0 85 0 - 9.8-14.1 Violated in 0 structures by 0.00 A. Peak 3157 from cnoeabs.peaks (1.67, 2.99, 42.11 ppm; 2.93 A): 12 out of 30 assignments used, quality = 1.00: * HD2 LYS 62 + HE3 LYS 62 OK 99 100 100 99 2.3-3.0 3.0=96, 3140/1.8=8...(43) HD3 LYS 62 + HE3 LYS 62 OK 99 100 100 99 2.4-3.0 3.0=96, 3140/1.8=8...(43) HD2 LYS 62 + HE2 LYS 62 OK 99 100 100 99 2.4-3.0 3.0=96, 3140/1.8=8...(43) HD3 LYS 62 + HE2 LYS 62 OK 99 100 100 99 2.3-3.0 3.0=96, 3140/1.8=8...(43) HD3 LYS 60 + HE3 LYS 60 OK 98 99 100 98 2.5-3.0 3.0=95, 3140/1.8=8...(36) HD2 LYS 60 + HE3 LYS 60 OK 98 99 100 98 2.3-3.0 3.0=95, 1.8/3140=8...(36) HD3 LYS 60 + HE2 LYS 60 OK 97 99 100 98 2.3-3.0 3.0=95, 3140/1.8=8...(36) HD2 LYS 60 + HE2 LYS 60 OK 97 99 100 98 2.5-3.0 3.0=95, 3130/1.8=8...(36) HD3 LYS 39 + HE2 LYS 39 OK 41 42 100 97 2.2-2.5 3.0=94, 2040/3.6=12...(21) HD2 LYS 39 + HE2 LYS 39 OK 41 42 100 97 2.4-3.0 3.0=94, 2040/3.6=12...(21) HD2 LYS 39 + HE3 LYS 39 OK 41 42 100 97 2.4-3.0 3.0=94, 2040/3.6=12...(21) HD3 LYS 39 + HE3 LYS 39 OK 41 42 100 97 2.7-3.0 3.0=94, 2040/3.6=12...(21) HG13 ILE 50 - HE2 LYS 49 poor 18 71 25 - 4.1-8.9 HB2 LEU 64 - HE2 LYS 62 far 10 97 10 - 3.1-12.6 HB2 LEU 64 - HE3 LYS 62 far 5 98 5 - 3.8-12.8 HG13 ILE 50 - HE3 LYS 49 far 4 71 5 - 4.0-8.8 HD3 LYS 60 - HE2 LYS 62 far 0 100 0 - 4.8-13.3 HD2 LYS 62 - HE3 LYS 60 far 0 99 0 - 5.0-14.6 HD2 LYS 60 - HE2 LYS 62 far 0 100 0 - 5.0-13.0 HD2 LYS 62 - HE2 LYS 60 far 0 99 0 - 5.2-14.4 HD3 LYS 62 - HE2 LYS 60 far 0 99 0 - 6.0-14.0 HD2 LYS 60 - HE3 LYS 62 far 0 100 0 - 6.0-13.1 HD3 LYS 62 - HE3 LYS 60 far 0 99 0 - 6.0-13.3 HD3 LYS 60 - HE3 LYS 62 far 0 100 0 - 6.2-14.2 HD3 LYS 42 - HE3 LYS 39 far 0 63 0 - 6.4-8.5 HD3 LYS 42 - HE2 LYS 39 far 0 63 0 - 7.5-10.1 HB2 LEU 64 - HE2 LYS 60 far 0 96 0 - 8.2-17.7 HB2 LEU 37 - HE3 LYS 39 far 0 66 0 - 8.3-10.3 HB2 LEU 37 - HE2 LYS 39 far 0 66 0 - 8.3-10.1 HB2 LEU 64 - HE3 LYS 60 far 0 97 0 - 9.1-18.6 Violated in 0 structures by 0.00 A. Peak 3158 from cnoeabs.peaks (1.67, 2.99, 42.11 ppm; 2.93 A): 12 out of 30 assignments used, quality = 1.00: * HD3 LYS 62 + HE3 LYS 62 OK 99 100 100 99 2.4-3.0 3.0=96, 3140/1.8=8...(43) HD2 LYS 62 + HE3 LYS 62 OK 99 100 100 99 2.3-3.0 3.0=96, 3140/1.8=8...(43) HD3 LYS 62 + HE2 LYS 62 OK 99 100 100 99 2.3-3.0 3.0=96, 3140/1.8=8...(43) HD2 LYS 62 + HE2 LYS 62 OK 99 100 100 99 2.4-3.0 3.0=96, 3140/1.8=8...(43) HD3 LYS 60 + HE3 LYS 60 OK 98 99 100 98 2.5-3.0 3.0=95, 3140/1.8=8...(36) HD2 LYS 60 + HE3 LYS 60 OK 97 99 100 98 2.3-3.0 3.0=95, 1.8/3140=8...(36) HD3 LYS 60 + HE2 LYS 60 OK 97 99 100 98 2.3-3.0 3.0=95, 3140/1.8=8...(36) HD2 LYS 60 + HE2 LYS 60 OK 97 99 100 98 2.5-3.0 3.0=95, 3130/1.8=8...(36) HD3 LYS 39 + HE2 LYS 39 OK 40 41 100 97 2.2-2.5 3.0=94, 2040/3.6=12...(21) HD2 LYS 39 + HE2 LYS 39 OK 40 41 100 97 2.4-3.0 3.0=94, 2040/3.6=12...(21) HD2 LYS 39 + HE3 LYS 39 OK 40 41 100 97 2.4-3.0 3.0=94, 2040/3.6=12...(21) HD3 LYS 39 + HE3 LYS 39 OK 40 41 100 97 2.7-3.0 3.0=94, 2040/3.6=12...(21) HG13 ILE 50 - HE2 LYS 49 poor 17 69 25 - 4.1-8.9 HB2 LEU 64 - HE2 LYS 62 far 10 98 10 - 3.1-12.6 HB2 LEU 64 - HE3 LYS 62 far 5 99 5 - 3.8-12.8 HG13 ILE 50 - HE3 LYS 49 far 3 69 5 - 4.0-8.8 HD3 LYS 60 - HE2 LYS 62 far 0 100 0 - 4.8-13.3 HD2 LYS 62 - HE3 LYS 60 far 0 99 0 - 5.0-14.6 HD2 LYS 60 - HE2 LYS 62 far 0 100 0 - 5.0-13.0 HD2 LYS 62 - HE2 LYS 60 far 0 99 0 - 5.2-14.4 HD3 LYS 62 - HE2 LYS 60 far 0 99 0 - 6.0-14.0 HD2 LYS 60 - HE3 LYS 62 far 0 100 0 - 6.0-13.1 HD3 LYS 62 - HE3 LYS 60 far 0 99 0 - 6.0-13.3 HD3 LYS 60 - HE3 LYS 62 far 0 100 0 - 6.2-14.2 HD3 LYS 42 - HE3 LYS 39 far 0 64 0 - 6.4-8.5 HD3 LYS 42 - HE2 LYS 39 far 0 64 0 - 7.5-10.1 HB2 LEU 64 - HE2 LYS 60 far 0 97 0 - 8.2-17.7 HB2 LEU 37 - HE3 LYS 39 far 0 67 0 - 8.3-10.3 HB2 LEU 37 - HE2 LYS 39 far 0 67 0 - 8.3-10.1 HB2 LEU 64 - HE3 LYS 60 far 0 97 0 - 9.1-18.6 Violated in 0 structures by 0.00 A. 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): 3 out of 4 assignments used, quality = 1.00: * H GLN 63 + HA GLN 63 OK 100 100 100 100 2.3-2.9 3.0=100 H LEU 64 + HA GLN 63 OK 97 98 100 99 2.1-3.3 344=97, 914/3.0=20...(9) H SER 65 + HA GLN 63 OK 31 81 85 45 3.3-5.4 914/344=31, 3169/3.0=7...(6) H GLU 67 - HA GLN 63 far 0 73 0 - 7.5-12.5 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HB2 GLN 63 + HA GLN 63 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 GLU 67 - HA GLN 63 far 0 98 0 - 9.1-14.7 Violated in 0 structures by 0.00 A. Peak 3164 from cnoeabs.peaks (2.00, 4.31, 55.97 ppm; 3.50 A): 1 out of 3 assignments used, quality = 1.00: * HB3 GLN 63 + HA GLN 63 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 ARG 55 - HA GLN 63 far 0 71 0 - 8.3-22.3 HB3 ARG 21 - HA GLN 63 far 0 65 0 - 9.2-28.8 Violated in 0 structures by 0.00 A. Peak 3165 from cnoeabs.peaks (2.36, 4.31, 55.97 ppm; 3.86 A): 2 out of 3 assignments used, quality = 1.00: * HG2 GLN 63 + HA GLN 63 OK 100 100 100 100 2.2-3.8 3.7=100 HG3 GLN 63 + HA GLN 63 OK 100 100 100 100 2.2-3.8 3.7=100 HG3 GLN 53 - HA GLN 63 far 0 97 0 - 8.9-21.5 Violated in 0 structures by 0.00 A. Peak 3166 from cnoeabs.peaks (2.36, 4.31, 55.97 ppm; 3.86 A): 2 out of 3 assignments used, quality = 1.00: * HG3 GLN 63 + HA GLN 63 OK 100 100 100 100 2.2-3.8 3.7=100 HG2 GLN 63 + HA GLN 63 OK 100 100 100 100 2.2-3.8 3.7=100 HG3 GLN 53 - HA GLN 63 far 0 99 0 - 8.9-21.5 Violated in 0 structures by 0.00 A. Peak 3169 from cnoeabs.peaks (8.38, 2.08, 29.35 ppm; 4.46 A): 3 out of 4 assignments used, quality = 1.00: * H GLN 63 + HB2 GLN 63 OK 100 100 100 100 2.2-4.0 3.9=100 H LEU 64 + HB2 GLN 63 OK 98 98 100 100 2.1-4.5 4.6=90, 344/3.0=81...(8) H SER 65 + HB2 GLN 63 OK 53 81 75 87 2.6-7.5 4.4/4693=47, 4.4/4694=46...(8) H GLU 67 - HB2 GLN 63 far 4 73 5 - 5.3-13.8 Violated in 0 structures by 0.00 A. Peak 3170 from cnoeabs.peaks (4.31, 2.08, 29.35 ppm; 3.60 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 63 + HB2 GLN 63 OK 100 100 100 100 2.4-3.0 3.0=100 HA GLU 67 - HB2 GLN 63 far 0 100 0 - 7.6-14.8 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * HB3 GLN 63 + HB2 GLN 63 OK 100 100 100 100 1.8-1.8 1.8=100 HD3 ARG 55 - HB2 GLN 63 far 0 71 0 - 6.0-21.4 HB3 ARG 21 - HB2 GLN 63 far 0 65 0 - 8.8-28.8 HB2 GLN 26 - HB2 GLN 63 far 0 68 0 - 10.0-27.2 Violated in 0 structures by 0.00 A. Peak 3173 from cnoeabs.peaks (2.36, 2.08, 29.35 ppm; 3.37 A): 2 out of 3 assignments used, quality = 1.00: * HG2 GLN 63 + HB2 GLN 63 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 GLN 63 + HB2 GLN 63 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 GLN 53 - HB2 GLN 63 far 0 97 0 - 8.5-21.7 Violated in 0 structures by 0.00 A. Peak 3174 from cnoeabs.peaks (2.36, 2.08, 29.35 ppm; 3.37 A): 2 out of 3 assignments used, quality = 1.00: * HG3 GLN 63 + HB2 GLN 63 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 GLN 63 + HB2 GLN 63 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 GLN 53 - HB2 GLN 63 far 0 99 0 - 8.5-21.7 Violated in 0 structures by 0.00 A. Peak 3177 from cnoeabs.peaks (8.38, 2.00, 29.35 ppm; 4.12 A): 3 out of 4 assignments used, quality = 1.00: * H GLN 63 + HB3 GLN 63 OK 100 100 100 100 2.5-3.6 3.9=100 H LEU 64 + HB3 GLN 63 OK 96 98 100 98 2.4-4.6 344/3.0=73, 4.6=71...(6) H SER 65 + HB3 GLN 63 OK 23 81 55 53 2.4-6.8 914/4.6=30, 3169/1.8=14...(6) H GLU 67 - HB3 GLN 63 far 7 73 10 - 4.5-13.6 Violated in 0 structures by 0.00 A. Peak 3178 from cnoeabs.peaks (4.31, 2.00, 29.35 ppm; 3.59 A): 1 out of 5 assignments used, quality = 1.00: * HA GLN 63 + HB3 GLN 63 OK 100 100 100 100 2.4-3.0 3.0=100 HA LEU 41 - HB2 GLU 18 poor 8 55 45 34 4.5-5.6 4.0/4451=17, 4.0/4457=16 HA LEU 41 - HB3 GLU 18 far 0 55 0 - 5.1-6.1 HA GLU 67 - HB3 GLN 63 far 0 100 0 - 6.7-14.9 HA HIS 36 - HB3 GLU 18 far 0 89 0 - 9.1-10.7 Violated in 0 structures by 0.00 A. Peak 3179 from cnoeabs.peaks (2.08, 2.00, 29.35 ppm; 2.40 A): 1 out of 7 assignments used, quality = 1.00: * HB2 GLN 63 + HB3 GLN 63 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LYS 22 - HB3 GLU 18 far 0 66 0 - 4.3-7.2 HB2 LYS 22 - HB2 GLU 18 far 0 66 0 - 5.6-8.1 HB2 GLU 67 - HB3 GLN 63 far 0 98 0 - 6.2-15.4 HB VAL 16 - HB2 GLU 18 far 0 89 0 - 6.8-7.4 HB VAL 16 - HB3 GLU 18 far 0 89 0 - 8.5-9.0 HB VAL 16 - HB3 GLN 63 far 0 100 0 - 9.2-27.3 Violated in 0 structures by 0.00 A. 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 7 assignments used, quality = 1.00: * HG2 GLN 63 + HB3 GLN 63 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 GLN 63 + HB3 GLN 63 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 22 - HB3 GLU 18 far 0 64 0 - 4.8-7.4 HB3 LYS 22 - HB2 GLU 18 far 0 64 0 - 5.5-8.2 HG2 MET 11 - HB2 GLU 18 far 0 50 0 - 7.0-11.1 HG3 GLN 53 - HB3 GLN 63 far 0 97 0 - 7.3-23.2 HG2 MET 11 - HB3 GLU 18 far 0 50 0 - 7.9-12.7 Violated in 0 structures by 0.00 A. Peak 3182 from cnoeabs.peaks (2.36, 2.00, 29.35 ppm; 3.31 A): 2 out of 7 assignments used, quality = 1.00: * HG3 GLN 63 + HB3 GLN 63 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 GLN 63 + HB3 GLN 63 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 22 - HB3 GLU 18 far 0 68 0 - 4.8-7.4 HB3 LYS 22 - HB2 GLU 18 far 0 68 0 - 5.5-8.2 HG2 MET 11 - HB2 GLU 18 far 0 55 0 - 7.0-11.1 HG3 GLN 53 - HB3 GLN 63 far 0 99 0 - 7.3-23.2 HG2 MET 11 - HB3 GLU 18 far 0 55 0 - 7.9-12.7 Violated in 0 structures by 0.00 A. Peak 3185 from cnoeabs.peaks (8.38, 2.36, 33.72 ppm; 4.47 A): 4 out of 12 assignments used, quality = 1.00: H GLN 63 + HG3 GLN 63 OK 96 100 100 96 2.4-4.6 829/3.0=77, 5.1=66...(4) * H GLN 63 + HG2 GLN 63 OK 96 100 100 96 2.6-5.1 829/3.0=77, 5.1=66...(4) H LEU 64 + HG2 GLN 63 OK 88 98 100 89 2.0-5.8 344/3.7=71, 3626/3.0=31...(4) H LEU 64 + HG3 GLN 63 OK 87 98 100 89 2.0-5.3 344/3.7=71, 3626/3.0=31...(5) H SER 65 - HG3 GLN 63 poor 19 80 70 34 2.0-7.3 3169/3.0=13, 3161/3.7=10...(5) H SER 65 - HG2 GLN 63 poor 18 81 65 33 2.3-7.8 3169/3.0=13, 3161/3.7=10...(4) H LEU 64 - HG3 GLN 53 far 4 88 5 - 5.8-22.1 H GLU 67 - HG2 GLN 63 far 4 73 5 - 6.0-14.4 H GLU 67 - HG3 GLN 63 far 0 73 0 - 6.2-14.3 H GLN 63 - HG3 GLN 53 far 0 92 0 - 6.5-21.1 H SER 65 - HG3 GLN 53 far 0 69 0 - 7.3-22.1 H GLU 67 - HG3 GLN 53 far 0 62 0 - 8.5-24.2 Violated in 0 structures by 0.00 A. Peak 3186 from cnoeabs.peaks (4.31, 2.36, 33.72 ppm; 3.79 A): 2 out of 7 assignments used, quality = 1.00: * HA GLN 63 + HG2 GLN 63 OK 100 100 100 100 2.2-3.8 3.7=100 HA GLN 63 + HG3 GLN 63 OK 100 100 100 100 2.2-3.8 3.7=100 HA LYS 49 - HG3 GLN 53 far 4 82 5 - 4.3-8.0 HA GLU 67 - HG2 GLN 63 far 0 100 0 - 6.7-16.1 HA GLU 67 - HG3 GLN 63 far 0 100 0 - 7.9-15.6 HA GLN 63 - HG3 GLN 53 far 0 92 0 - 8.9-21.5 HA GLU 67 - HG3 GLN 53 far 0 92 0 - 9.4-22.8 Violated in 0 structures by 0.00 A. Peak 3187 from cnoeabs.peaks (2.08, 2.36, 33.72 ppm; 3.66 A): 2 out of 6 assignments used, quality = 1.00: * HB2 GLN 63 + HG2 GLN 63 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLN 63 + HG3 GLN 63 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLU 67 - HG3 GLN 63 far 0 98 0 - 6.7-16.4 HB2 GLU 67 - HG2 GLN 63 far 0 98 0 - 7.5-15.9 HB2 GLN 63 - HG3 GLN 53 far 0 92 0 - 8.5-21.7 HB VAL 16 - HG2 GLN 63 far 0 100 0 - 9.8-28.9 Violated in 0 structures by 0.00 A. Peak 3188 from cnoeabs.peaks (2.00, 2.36, 33.72 ppm; 3.20 A): 2 out of 7 assignments used, quality = 1.00: * HB3 GLN 63 + HG2 GLN 63 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLN 63 + HG3 GLN 63 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 ARG 55 - HG2 GLN 63 far 0 71 0 - 6.0-23.3 HB3 GLN 63 - HG3 GLN 53 far 0 92 0 - 7.3-23.2 HD3 ARG 55 - HG3 GLN 63 far 0 70 0 - 7.6-23.1 HD3 ARG 55 - HG3 GLN 53 far 0 60 0 - 7.7-10.7 HB3 ARG 21 - HG2 GLN 63 far 0 65 0 - 8.5-30.2 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * HE21 GLN 63 + HG2 GLN 63 OK 100 100 100 100 2.1-3.6 3.5=100 HE21 GLN 63 + HG3 GLN 63 OK 100 100 100 100 2.2-3.6 3.5=100 QE PHE 52 - HG3 GLN 53 far 0 91 0 - 7.5-10.4 H TYR 28 - HG3 GLN 53 far 0 50 0 - 9.9-13.5 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.4-4.1 3.5=100 HE22 GLN 63 + HG3 GLN 63 OK 100 100 100 100 3.5-4.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 3193 from cnoeabs.peaks (8.38, 2.36, 33.72 ppm; 4.47 A): 4 out of 12 assignments used, quality = 1.00: * H GLN 63 + HG3 GLN 63 OK 96 100 100 96 2.4-4.6 829/3.0=77, 5.1=66...(4) H GLN 63 + HG2 GLN 63 OK 96 100 100 96 2.6-5.1 829/3.0=77, 5.1=66...(4) H LEU 64 + HG3 GLN 63 OK 88 98 100 90 2.0-5.3 344/3.7=71, 3626/3.0=31...(5) H LEU 64 + HG2 GLN 63 OK 87 98 100 89 2.0-5.8 344/3.7=71, 3626/3.0=31...(4) H SER 65 - HG3 GLN 63 poor 19 81 70 34 2.0-7.3 3169/3.0=13, 3161/3.7=10...(5) H SER 65 - HG2 GLN 63 poor 17 80 65 33 2.3-7.8 3169/3.0=13, 3161/3.7=10...(5) H LEU 64 - HG3 GLN 53 far 5 92 5 - 5.8-22.1 H GLU 67 - HG2 GLN 63 far 4 73 5 - 6.0-14.4 H GLU 67 - HG3 GLN 63 far 0 73 0 - 6.2-14.3 H GLN 63 - HG3 GLN 53 far 0 96 0 - 6.5-21.1 H SER 65 - HG3 GLN 53 far 0 73 0 - 7.3-22.1 H GLU 67 - HG3 GLN 53 far 0 66 0 - 8.5-24.2 Violated in 0 structures by 0.00 A. Peak 3194 from cnoeabs.peaks (4.31, 2.36, 33.72 ppm; 3.79 A): 2 out of 7 assignments used, quality = 1.00: * HA GLN 63 + HG3 GLN 63 OK 100 100 100 100 2.2-3.8 3.7=100 HA GLN 63 + HG2 GLN 63 OK 100 100 100 100 2.2-3.8 3.7=100 HA LYS 49 - HG3 GLN 53 far 4 86 5 - 4.3-8.0 HA GLU 67 - HG2 GLN 63 far 0 100 0 - 6.7-16.1 HA GLU 67 - HG3 GLN 63 far 0 100 0 - 7.9-15.6 HA GLN 63 - HG3 GLN 53 far 0 96 0 - 8.9-21.5 HA GLU 67 - HG3 GLN 53 far 0 96 0 - 9.4-22.8 Violated in 0 structures by 0.00 A. Peak 3195 from cnoeabs.peaks (2.08, 2.36, 33.72 ppm; 3.66 A): 2 out of 6 assignments used, quality = 1.00: * HB2 GLN 63 + HG3 GLN 63 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLN 63 + HG2 GLN 63 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLU 67 - HG3 GLN 63 far 0 98 0 - 6.7-16.4 HB2 GLU 67 - HG2 GLN 63 far 0 98 0 - 7.5-15.9 HB2 GLN 63 - HG3 GLN 53 far 0 96 0 - 8.5-21.7 HB VAL 16 - HG2 GLN 63 far 0 100 0 - 9.8-28.9 Violated in 0 structures by 0.00 A. Peak 3196 from cnoeabs.peaks (2.00, 2.36, 33.72 ppm; 3.20 A): 2 out of 7 assignments used, quality = 1.00: * HB3 GLN 63 + HG3 GLN 63 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLN 63 + HG2 GLN 63 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 ARG 55 - HG2 GLN 63 far 0 70 0 - 6.0-23.3 HB3 GLN 63 - HG3 GLN 53 far 0 96 0 - 7.3-23.2 HD3 ARG 55 - HG3 GLN 63 far 0 71 0 - 7.6-23.1 HD3 ARG 55 - HG3 GLN 53 far 0 63 0 - 7.7-10.7 HB3 ARG 21 - HG2 GLN 63 far 0 65 0 - 8.5-30.2 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * HE21 GLN 63 + HG3 GLN 63 OK 100 100 100 100 2.2-3.6 3.5=100 HE21 GLN 63 + HG2 GLN 63 OK 100 100 100 100 2.1-3.6 3.5=100 QE PHE 52 - HG3 GLN 53 far 0 95 0 - 7.5-10.4 H TYR 28 - HG3 GLN 53 far 0 53 0 - 9.9-13.5 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.5-4.1 3.5=100 HE22 GLN 63 + HG2 GLN 63 OK 100 100 100 100 3.4-4.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 3201 from cnoeabs.peaks (8.38, 4.37, 55.19 ppm; 4.05 A): 3 out of 9 assignments used, quality = 1.00: * H LEU 64 + HA LEU 64 OK 100 100 100 100 2.3-2.9 2.9=100 H GLN 63 + HA LEU 64 OK 63 98 80 80 4.5-6.0 ~344=31, 3208/3.0=16...(11) H GLU 67 + HA LEU 68 OK 45 60 100 74 4.5-5.4 366/3.0=52, ~367=30...(6) H GLU 67 - HA LEU 64 far 0 92 0 - 6.4-9.9 H GLU 20 - HA LEU 64 far 0 71 0 - 7.0-27.9 H LEU 64 - HA ASN 54 far 0 60 0 - 7.9-21.0 H GLN 63 - HA ASN 54 far 0 56 0 - 8.5-19.7 H LEU 64 - HA LEU 68 far 0 72 0 - 8.7-14.6 H GLN 63 - HA LEU 68 far 0 67 0 - 9.9-16.8 Violated in 0 structures by 0.00 A. Peak 3202 from cnoeabs.peaks (4.37, 4.37, 55.19 ppm; diagonal): 3 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): 3 out of 19 assignments used, quality = 1.00: * HB2 LEU 64 + HA LEU 64 OK 100 100 100 100 2.3-3.0 3.0=100 HG LEU 64 + HA LEU 64 OK 70 78 100 89 2.2-3.7 3.7=64, 2.1/3207=25...(11) HB2 LEU 68 + HA LEU 68 OK 43 43 100 100 2.3-3.0 3.0=100 HD3 LYS 62 - HA LEU 64 far 15 99 15 - 4.1-9.6 HD2 LYS 62 - HA LEU 64 far 10 98 10 - 4.1-10.0 HG LEU 64 - HA ASN 54 far 0 40 0 - 5.3-24.1 HB2 LEU 64 - HA ASN 54 far 0 60 0 - 6.0-23.9 HB2 LEU 68 - HA ASN 54 far 0 35 0 - 7.0-28.8 HD3 LYS 62 - HA ASN 54 far 0 57 0 - 7.1-20.4 HD2 LYS 62 - HA LEU 68 far 0 67 0 - 7.3-21.0 HD2 LYS 60 - HA ASN 54 far 0 54 0 - 7.7-16.4 HB2 LEU 68 - HA LEU 64 far 0 71 0 - 7.8-15.0 HD2 LYS 60 - HA LEU 64 far 0 97 0 - 7.8-16.6 HD3 LYS 60 - HA LEU 64 far 0 98 0 - 8.3-16.8 HD2 LYS 62 - HA ASN 54 far 0 56 0 - 8.6-20.7 HD3 LYS 62 - HA LEU 68 far 0 68 0 - 8.6-20.3 HB2 LEU 64 - HA LEU 68 far 0 72 0 - 9.1-15.1 HD3 LYS 60 - HA ASN 54 far 0 56 0 - 9.1-16.1 HD2 LYS 60 - HA LEU 68 far 0 65 0 - 9.8-24.2 Violated in 0 structures by 0.00 A. Peak 3204 from cnoeabs.peaks (1.62, 4.37, 55.19 ppm; 3.04 A): 5 out of 20 assignments used, quality = 1.00: * HB3 LEU 64 + HA LEU 64 OK 100 100 100 100 2.3-3.0 3.0=100 HG LEU 64 + HA LEU 64 OK 67 78 100 86 2.2-3.7 3.7=57, 2.1/3207=23...(10) HB3 LEU 68 + HA LEU 68 OK 62 62 100 100 2.3-3.0 3.0=100 HG LEU 68 + HA LEU 68 OK 56 71 100 78 2.3-4.3 3.6=58, 2.1/3326=17...(7) HB2 LEU 68 + HA LEU 68 OK 54 54 100 100 2.3-3.0 3.0=100 HG2 ARG 61 - HA LEU 68 far 0 51 0 - 5.1-21.5 HG LEU 64 - HA ASN 54 far 0 40 0 - 5.3-24.1 HG LEU 68 - HA ASN 54 far 0 59 0 - 5.7-27.9 HB3 LEU 64 - HA ASN 54 far 0 60 0 - 6.8-24.0 HG3 ARG 61 - HA LEU 68 far 0 49 0 - 6.8-21.1 HB3 LEU 68 - HA ASN 54 far 0 51 0 - 6.9-27.6 HB2 LEU 68 - HA ASN 54 far 0 44 0 - 7.0-28.8 HG LEU 68 - HA LEU 64 far 0 100 0 - 7.5-15.5 HG3 ARG 61 - HA LEU 64 far 0 78 0 - 7.7-14.0 HB2 LEU 68 - HA LEU 64 far 0 85 0 - 7.8-15.0 HG2 ARG 61 - HA LEU 64 far 0 81 0 - 8.3-13.7 HG3 ARG 21 - HA LEU 64 far 0 95 0 - 8.5-30.5 HB3 LEU 68 - HA LEU 64 far 0 93 0 - 8.7-15.4 HB3 LEU 64 - HA LEU 68 far 0 72 0 - 9.0-14.9 HG3 ARG 61 - HA ASN 54 far 0 40 0 - 9.8-17.0 Violated in 0 structures by 0.00 A. Peak 3205 from cnoeabs.peaks (1.64, 4.37, 55.19 ppm; 3.04 A): 6 out of 17 assignments used, quality = 1.00: * HG LEU 64 + HA LEU 64 OK 87 100 100 87 2.2-3.7 3.7=57, 2.1/3207=23...(12) HB2 LEU 64 + HA LEU 64 OK 78 78 100 100 2.3-3.0 3.0=100 HB3 LEU 64 + HA LEU 64 OK 78 78 100 100 2.3-3.0 3.0=100 HB2 LEU 68 + HA LEU 68 OK 71 71 100 100 2.3-3.0 3.0=100 HB3 LEU 68 + HA LEU 68 OK 68 68 100 100 2.3-3.0 3.0=100 HG LEU 68 + HA LEU 68 OK 35 45 100 78 2.3-4.3 3.6=58, 2.1/3326=17...(7) HG LEU 64 - HA ASN 54 far 0 60 0 - 5.3-24.1 HG LEU 68 - HA ASN 54 far 0 37 0 - 5.7-27.9 HB2 LEU 64 - HA ASN 54 far 0 40 0 - 6.0-23.9 HB3 LEU 64 - HA ASN 54 far 0 40 0 - 6.8-24.0 HB3 LEU 68 - HA ASN 54 far 0 57 0 - 6.9-27.6 HB2 LEU 68 - HA ASN 54 far 0 59 0 - 7.0-28.8 HG LEU 68 - HA LEU 64 far 0 73 0 - 7.5-15.5 HB2 LEU 68 - HA LEU 64 far 0 100 0 - 7.8-15.0 HB3 LEU 68 - HA LEU 64 far 0 99 0 - 8.7-15.4 HB3 LEU 64 - HA LEU 68 far 0 49 0 - 9.0-14.9 HB2 LEU 64 - HA LEU 68 far 0 49 0 - 9.1-15.1 Violated in 0 structures by 0.00 A. Peak 3206 from cnoeabs.peaks (0.91, 4.37, 55.19 ppm; 4.62 A): 2 out of 6 assignments used, quality = 1.00: * QD1 LEU 64 + HA LEU 64 OK 100 100 100 100 2.1-4.1 3.9=100 QG2 ILE 50 + HA ASN 54 OK 56 57 100 100 4.6-5.2 4657/3.0=63, 4661/4.5=62...(12) QG2 ILE 50 - HA LEU 68 far 3 68 5 - 5.7-26.9 QD1 LEU 64 - HA ASN 54 far 0 60 0 - 6.4-21.4 QD1 LEU 64 - HA LEU 68 far 0 72 0 - 7.3-14.2 QG2 ILE 50 - HA LEU 64 far 0 99 0 - 9.3-23.5 Violated in 0 structures by 0.00 A. Peak 3207 from cnoeabs.peaks (0.85, 4.37, 55.19 ppm; 3.48 A): 3 out of 10 assignments used, quality = 0.99: * QD2 LEU 64 + HA LEU 64 OK 94 100 100 94 2.0-3.9 3.9=71, 2.1/3203=24...(12) QD2 LEU 68 + HA LEU 68 OK 57 66 100 86 2.1-3.9 3.9=70, 2.1/3326=22...(8) QD1 LEU 68 + HA LEU 68 OK 54 63 100 86 2.0-4.1 3.9=70, 2.1/3326=22...(7) QD2 LEU 68 - HA ASN 54 far 5 55 10 - 4.3-22.6 QD1 LEU 68 - HA ASN 54 far 3 52 5 - 4.6-21.3 QD2 LEU 64 - HA ASN 54 far 0 60 0 - 5.4-19.1 QD2 LEU 68 - HA LEU 64 far 0 97 0 - 6.5-12.8 QD1 LEU 68 - HA LEU 64 far 0 95 0 - 6.5-13.2 QD2 LEU 64 - HA LEU 68 far 0 72 0 - 9.3-13.9 QD2 LEU 43 - HA LEU 68 far 0 70 0 - 9.7-32.0 Violated in 0 structures by 0.00 A. Peak 3208 from cnoeabs.peaks (8.38, 1.66, 42.38 ppm; 4.65 A): 2 out of 5 assignments used, quality = 1.00: * H LEU 64 + HB2 LEU 64 OK 100 100 100 100 2.1-4.0 3.8=100 H GLN 63 + HB2 LEU 64 OK 49 98 55 91 3.8-7.7 3.9/4693=54, 4.6/836=35...(9) H GLU 67 - HB2 LEU 64 far 5 92 5 - 5.1-11.5 H GLU 20 - HB2 LEU 64 far 0 71 0 - 8.3-30.2 H GLU 20 - HB2 LEU 37 far 0 51 0 - 8.4-9.8 Violated in 0 structures by 0.00 A. Peak 3209 from cnoeabs.peaks (4.37, 1.66, 42.38 ppm; 3.53 A): 1 out of 7 assignments used, quality = 1.00: * HA LEU 64 + HB2 LEU 64 OK 100 100 100 100 2.3-3.0 3.0=100 HA LYS 22 - HB2 LEU 37 far 0 55 0 - 5.1-7.8 HA ASN 54 - HB2 LEU 64 far 0 85 0 - 6.0-23.9 HA ASN 40 - HB2 LEU 37 far 0 81 0 - 7.4-8.0 HA PRO 32 - HB2 LEU 37 far 0 79 0 - 8.0-9.8 HA LEU 68 - HB2 LEU 64 far 0 97 0 - 9.1-15.1 HA HIS 13 - HB2 LEU 64 far 0 100 0 - 9.5-34.4 Violated in 0 structures by 0.00 A. 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): 2 out of 11 assignments used, quality = 1.00: * HB3 LEU 64 + HB2 LEU 64 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 64 + HB2 LEU 64 OK 54 78 100 69 2.4-3.0 3.0=52, 2.1/1949=10...(9) HB2 LEU 41 - HB2 LEU 37 far 0 82 0 - 4.9-8.2 HG3 ARG 61 - HB2 LEU 64 far 0 78 0 - 7.4-14.3 HG2 ARG 61 - HB2 LEU 64 far 0 81 0 - 7.4-14.5 HG LEU 68 - HB2 LEU 64 far 0 100 0 - 7.6-15.9 HB3 LEU 43 - HB2 LEU 37 far 0 71 0 - 7.8-10.5 HG3 ARG 21 - HB2 LEU 37 far 0 72 0 - 8.6-11.2 HB2 LEU 68 - HB2 LEU 64 far 0 85 0 - 9.5-15.6 HG3 ARG 21 - HB2 LEU 64 far 0 95 0 - 9.6-32.6 HB3 GLN 15 - HB2 LEU 37 far 0 68 0 - 9.8-13.2 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * QD1 LEU 64 + HB2 LEU 64 OK 100 100 100 100 2.1-3.2 3.1=100 QD2 LEU 37 + HB2 LEU 37 OK 74 74 100 100 2.1-3.2 3.1=100 QG2 ILE 50 - HB2 LEU 64 far 0 99 0 - 8.2-25.0 Violated in 0 structures by 0.00 A. Peak 3214 from cnoeabs.peaks (0.85, 1.66, 42.38 ppm; 4.49 A): 1 out of 4 assignments used, quality = 1.00: * QD2 LEU 64 + HB2 LEU 64 OK 100 100 100 100 2.2-3.2 3.1=100 QD1 LEU 68 - HB2 LEU 64 far 0 95 0 - 6.2-14.0 QD2 LEU 68 - HB2 LEU 64 far 0 97 0 - 7.2-13.4 QD2 LEU 43 - HB2 LEU 37 far 0 80 0 - 8.0-10.3 Violated in 0 structures by 0.00 A. Peak 3215 from cnoeabs.peaks (8.38, 1.62, 42.38 ppm; 4.31 A): 2 out of 11 assignments used, quality = 1.00: * H LEU 64 + HB3 LEU 64 OK 100 100 100 100 2.3-4.1 3.8=100 H GLN 63 + HB3 LEU 64 OK 37 98 45 84 4.6-7.1 4.6/837=31, 3.9/4694=30...(9) H GLU 67 - HB3 LEU 68 poor 20 68 45 64 4.2-7.0 366/3.8=49, 3201/3.0=14...(4) H GLU 67 - HB2 LEU 68 poor 16 51 50 64 3.8-7.0 366/3.8=49, 3201/3.0=14...(4) H GLU 67 - HB3 LEU 64 far 9 92 10 - 5.1-10.7 H GLU 20 - HB3 LEU 64 far 0 71 0 - 6.8-29.8 H GLN 63 - HB2 LEU 68 far 0 57 0 - 7.9-17.6 H GLU 20 - HB2 LEU 41 far 0 64 0 - 8.1-10.1 H GLU 20 - HB3 LEU 68 far 0 50 0 - 8.9-30.2 H GLN 63 - HB3 LEU 68 far 0 76 0 - 9.3-16.8 H LEU 64 - HB2 LEU 68 far 0 61 0 - 9.9-14.4 Violated in 0 structures by 0.00 A. Peak 3216 from cnoeabs.peaks (4.37, 1.62, 42.38 ppm; 3.64 A): 3 out of 15 assignments used, quality = 1.00: * HA LEU 64 + HB3 LEU 64 OK 100 100 100 100 2.3-3.0 3.0=100 HA LEU 68 + HB3 LEU 68 OK 74 74 100 100 2.3-3.0 3.0=100 HA LEU 68 + HB2 LEU 68 OK 55 55 100 100 2.3-3.0 3.0=100 HA ASN 40 - HB2 LEU 41 far 0 96 0 - 5.8-6.6 HB2 SER 12 - HB2 LEU 41 far 0 96 0 - 6.8-9.8 HA ASN 54 - HB3 LEU 64 far 0 85 0 - 6.8-24.0 HA ASN 54 - HB3 LEU 68 far 0 62 0 - 6.9-27.6 HA ASN 54 - HB2 LEU 68 far 0 45 0 - 7.0-28.8 HA HIS 13 - HB3 LEU 68 far 0 80 0 - 7.8-37.9 HA LEU 64 - HB2 LEU 68 far 0 61 0 - 7.8-15.0 HA HIS 13 - HB2 LEU 68 far 0 61 0 - 7.8-38.7 HA HIS 13 - HB3 LEU 64 far 0 100 0 - 8.3-34.3 HA LEU 64 - HB3 LEU 68 far 0 80 0 - 8.7-15.4 HA LEU 68 - HB3 LEU 64 far 0 97 0 - 9.0-14.9 HA LYS 22 - HB2 LEU 41 far 0 69 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 3217 from cnoeabs.peaks (1.66, 1.62, 42.38 ppm; 2.40 A): 3 out of 20 assignments used, quality = 1.00: * HB2 LEU 64 + HB3 LEU 64 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 64 + HB3 LEU 64 OK 54 78 100 69 2.4-3.0 3.0=52, 3203/3.0=9...(9) HB2 LEU 68 + HB3 LEU 68 OK 50 50 100 100 1.8-1.8 1.8=100 HD3 LYS 62 - HB3 LEU 64 far 10 99 10 - 3.3-10.8 HD2 LYS 62 - HB3 LEU 64 far 5 98 5 - 2.7-10.6 HB3 GLN 15 - HB2 LEU 41 far 0 56 0 - 4.2-7.0 HD3 LYS 42 - HB2 LEU 41 far 0 96 0 - 4.6-7.4 HB2 LEU 37 - HB2 LEU 41 far 0 96 0 - 4.9-8.2 HD2 LYS 62 - HB3 LEU 68 far 0 76 0 - 5.5-20.0 HD2 LYS 62 - HB2 LEU 68 far 0 57 0 - 5.7-21.2 HD3 LYS 62 - HB2 LEU 68 far 0 58 0 - 6.7-20.4 HD3 LYS 62 - HB3 LEU 68 far 0 77 0 - 6.8-19.2 HG3 LYS 22 - HB2 LEU 41 far 0 82 0 - 7.6-11.6 HD2 LYS 60 - HB3 LEU 64 far 0 97 0 - 7.7-18.0 HD3 LYS 60 - HB3 LEU 68 far 0 76 0 - 8.1-25.6 HD3 LYS 60 - HB3 LEU 64 far 0 98 0 - 8.3-18.7 HD2 LYS 60 - HB3 LEU 68 far 0 74 0 - 8.9-25.9 HD3 LYS 60 - HB2 LEU 68 far 0 57 0 - 9.4-26.1 HB2 LEU 64 - HB2 LEU 68 far 0 61 0 - 9.5-15.6 HD2 LYS 60 - HB2 LEU 68 far 0 55 0 - 9.9-26.4 Violated in 0 structures by 0.00 A. 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): 2 out of 7 assignments used, quality = 1.00: * QD1 LEU 64 + HB3 LEU 64 OK 100 100 100 100 2.0-3.2 3.1=100 QD2 LEU 37 + HB2 LEU 41 OK 33 89 40 91 3.9-6.8 ~4790=32, ~4894=30...(13) QG2 ILE 50 - HB3 LEU 68 far 4 77 5 - 4.6-27.2 QG2 ILE 50 - HB2 LEU 68 far 0 58 0 - 5.9-28.2 QD1 LEU 64 - HB3 LEU 68 far 0 80 0 - 7.5-14.7 QD1 LEU 64 - HB2 LEU 68 far 0 61 0 - 8.5-13.9 QG2 ILE 50 - HB3 LEU 64 far 0 99 0 - 9.1-24.5 Violated in 0 structures by 0.00 A. Peak 3221 from cnoeabs.peaks (0.85, 1.62, 42.38 ppm; 4.43 A): 6 out of 13 assignments used, quality = 1.00: * QD2 LEU 64 + HB3 LEU 64 OK 100 100 100 100 2.0-3.2 3.1=100 QD2 LEU 43 + HB2 LEU 41 OK 94 95 100 100 3.9-4.9 2.1/4820=82, 4464/1.8=70...(16) QD2 LEU 68 + HB3 LEU 68 OK 75 75 100 100 2.0-3.2 3.1=100 QD1 LEU 68 + HB3 LEU 68 OK 71 71 100 100 2.1-3.2 3.1=100 QD2 LEU 68 + HB2 LEU 68 OK 56 56 100 100 2.1-3.2 3.1=100 QD1 LEU 68 + HB2 LEU 68 OK 53 53 100 100 2.0-3.2 3.1=100 QD1 LEU 68 - HB3 LEU 64 far 0 95 0 - 6.7-14.2 QD2 LEU 43 - HB3 LEU 68 far 0 78 0 - 7.6-32.4 QD2 LEU 43 - HB2 LEU 68 far 0 59 0 - 7.7-33.1 QD2 LEU 68 - HB3 LEU 64 far 0 97 0 - 8.3-13.2 QD2 LEU 64 - HB3 LEU 68 far 0 80 0 - 8.5-14.3 QD1 LEU 68 - HB2 LEU 41 far 0 88 0 - 8.7-30.3 QD2 LEU 64 - HB2 LEU 68 far 0 61 0 - 8.8-13.5 Violated in 0 structures by 0.00 A. Peak 3222 from cnoeabs.peaks (8.38, 1.64, 26.77 ppm; 4.43 A): 2 out of 4 assignments used, quality = 0.99: * H LEU 64 + HG LEU 64 OK 98 100 100 98 2.0-4.7 5.1=67, 837/3.0=48...(10) H GLN 63 + HG LEU 64 OK 28 98 40 72 3.8-7.7 3208/3.0=19, 4.6/838=19...(8) H GLU 67 - HG LEU 64 far 0 92 0 - 6.8-12.0 H GLU 20 - HG LEU 64 far 0 71 0 - 9.5-29.9 Violated in 3 structures by 0.01 A. Peak 3223 from cnoeabs.peaks (4.37, 1.64, 26.77 ppm; 4.21 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 64 + HG LEU 64 OK 100 100 100 100 2.2-3.7 3.7=100 HA ASN 54 - HG LEU 64 far 4 85 5 - 5.3-24.1 HA HIS 13 - HG LEU 64 far 0 100 0 - 9.4-33.8 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * QD1 LEU 64 + HG LEU 64 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 ILE 50 - HG LEU 64 far 0 99 0 - 7.2-23.9 Violated in 0 structures by 0.00 A. Peak 3228 from cnoeabs.peaks (0.85, 1.64, 26.77 ppm; 4.63 A): 1 out of 3 assignments used, quality = 1.00: * QD2 LEU 64 + HG LEU 64 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 68 - HG LEU 64 far 0 95 0 - 7.3-14.3 QD2 LEU 68 - HG LEU 64 far 0 97 0 - 8.0-14.4 Violated in 0 structures by 0.00 A. Peak 3229 from cnoeabs.peaks (8.38, 0.91, 25.32 ppm; 5.02 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 64 + QD1 LEU 64 OK 100 100 100 100 2.1-4.8 4.7=100 H GLN 63 + QD1 LEU 64 OK 44 98 60 74 3.9-7.6 3208/3.1=23, 3201/3.9=22...(7) H GLU 67 - QD1 LEU 64 far 5 92 5 - 4.7-11.2 H GLU 20 - QD1 LEU 64 far 0 71 0 - 7.5-26.8 Violated in 0 structures by 0.00 A. Peak 3230 from cnoeabs.peaks (4.37, 0.91, 25.32 ppm; 5.01 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 64 + QD1 LEU 64 OK 100 100 100 100 2.1-4.1 3.9=100 HA ASN 54 - QD1 LEU 64 far 4 85 5 - 6.4-21.4 HA HIS 13 - QD1 LEU 64 far 0 100 0 - 7.1-30.1 HA LEU 68 - QD1 LEU 64 far 0 97 0 - 7.3-14.2 Violated in 0 structures by 0.00 A. Peak 3231 from cnoeabs.peaks (1.66, 0.91, 25.32 ppm; 3.25 A): 2 out of 8 assignments used, quality = 1.00: * HB2 LEU 64 + QD1 LEU 64 OK 100 100 100 100 2.1-3.2 3.1=100 HG LEU 64 + QD1 LEU 64 OK 78 78 100 100 2.1-2.1 2.1=100 HD3 LYS 62 - QD1 LEU 64 far 10 99 10 - 4.5-11.3 HD2 LYS 62 - QD1 LEU 64 far 10 98 10 - 4.2-10.7 HB2 LEU 68 - QD1 LEU 64 far 0 71 0 - 8.5-13.9 HD2 LYS 60 - QD1 LEU 64 far 0 97 0 - 8.8-15.9 HD3 LYS 60 - QD1 LEU 64 far 0 98 0 - 9.1-15.7 HB3 GLN 15 - QD1 LEU 64 far 0 63 0 - 9.1-31.3 Violated in 0 structures by 0.00 A. Peak 3232 from cnoeabs.peaks (1.62, 0.91, 25.32 ppm; 3.62 A): 2 out of 9 assignments used, quality = 1.00: * HB3 LEU 64 + QD1 LEU 64 OK 100 100 100 100 2.0-3.2 3.1=100 HG LEU 64 + QD1 LEU 64 OK 78 78 100 100 2.1-2.1 2.1=100 HB3 LEU 68 - QD1 LEU 64 far 0 93 0 - 7.5-14.7 HG2 ARG 61 - QD1 LEU 64 far 0 81 0 - 7.6-12.9 HG LEU 68 - QD1 LEU 64 far 0 100 0 - 7.7-14.9 HG3 ARG 21 - QD1 LEU 64 far 0 95 0 - 7.8-29.0 HG3 ARG 61 - QD1 LEU 64 far 0 78 0 - 8.4-13.0 HB2 LEU 68 - QD1 LEU 64 far 0 85 0 - 8.5-13.9 HB3 GLN 15 - QD1 LEU 64 far 0 90 0 - 9.1-31.3 Violated in 0 structures by 0.00 A. Peak 3233 from cnoeabs.peaks (1.64, 0.91, 25.32 ppm; 3.62 A): 3 out of 7 assignments used, quality = 1.00: * HG LEU 64 + QD1 LEU 64 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LEU 64 + QD1 LEU 64 OK 78 78 100 100 2.0-3.2 3.1=100 HB2 LEU 64 + QD1 LEU 64 OK 78 78 100 100 2.1-3.2 3.1=100 HB3 LEU 68 - QD1 LEU 64 far 0 99 0 - 7.5-14.7 HG LEU 68 - QD1 LEU 64 far 0 73 0 - 7.7-14.9 HB2 LEU 68 - QD1 LEU 64 far 0 100 0 - 8.5-13.9 HB3 GLN 15 - QD1 LEU 64 far 0 99 0 - 9.1-31.3 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * QD2 LEU 64 + QD1 LEU 64 OK 100 100 100 100 1.9-2.1 2.1=100 QD1 LEU 68 - QD1 LEU 64 far 0 95 0 - 6.1-12.4 QD2 LEU 68 - QD1 LEU 64 far 0 97 0 - 6.4-12.0 Violated in 0 structures by 0.00 A. Peak 3236 from cnoeabs.peaks (8.38, 0.85, 23.25 ppm; 4.58 A): 4 out of 12 assignments used, quality = 1.00: * H LEU 64 + QD2 LEU 64 OK 100 100 100 100 1.9-4.6 4.7=96, 3222/2.1=60...(11) H GLN 63 + QD2 LEU 64 OK 58 98 85 69 2.5-7.7 3208/3.1=20, 3229/2.1=20...(7) H GLU 67 + QD2 LEU 68 OK 41 77 90 60 2.9-6.2 366/4.7=46, 3201/3.9=13...(4) H GLU 67 + QD1 LEU 68 OK 30 71 70 60 2.8-7.3 366/4.7=46, 3201/3.9=13...(4) H GLU 67 - QD2 LEU 64 far 5 92 5 - 5.8-10.3 H GLU 20 - QD2 LEU 68 far 0 57 0 - 6.2-24.6 H GLU 20 - QD2 LEU 64 far 0 71 0 - 6.6-25.2 H GLU 20 - QD1 LEU 68 far 0 52 0 - 7.6-23.9 H GLN 63 - QD2 LEU 68 far 0 85 0 - 7.8-13.9 H LEU 64 - QD2 LEU 68 far 0 89 0 - 8.3-12.1 H LEU 64 - QD1 LEU 68 far 0 83 0 - 8.4-13.4 H GLN 63 - QD1 LEU 68 far 0 79 0 - 9.3-15.5 Violated in 0 structures by 0.00 A. Peak 3237 from cnoeabs.peaks (4.37, 0.85, 23.25 ppm; 3.59 A): 3 out of 14 assignments used, quality = 1.00: * HA LEU 64 + QD2 LEU 64 OK 96 100 100 96 2.0-3.9 3.9=78, 3203/2.1=25...(12) HA LEU 68 + QD2 LEU 68 OK 74 82 100 90 2.1-3.9 3.9=77, 3302/2.1=22...(8) HA LEU 68 + QD1 LEU 68 OK 69 77 100 90 2.0-4.1 3.9=77, 3302/2.1=22...(7) HA ASN 54 - QD2 LEU 68 far 10 70 15 - 4.3-22.6 HA ASN 54 - QD1 LEU 68 far 3 64 5 - 4.6-21.3 HA HIS 13 - QD1 LEU 68 far 0 83 0 - 5.2-29.7 HA ASN 54 - QD2 LEU 64 far 0 85 0 - 5.4-19.1 HA HIS 13 - QD2 LEU 64 far 0 100 0 - 5.8-28.7 HA LEU 64 - QD2 LEU 68 far 0 89 0 - 6.5-12.8 HA LEU 64 - QD1 LEU 68 far 0 83 0 - 6.5-13.2 HA HIS 13 - QD2 LEU 68 far 0 89 0 - 6.5-30.5 HB2 SER 12 - QD1 LEU 68 far 0 83 0 - 9.1-31.7 HA LEU 68 - QD2 LEU 64 far 0 97 0 - 9.3-13.9 HB2 SER 12 - QD2 LEU 64 far 0 100 0 - 9.8-32.0 Violated in 0 structures by 0.00 A. Peak 3238 from cnoeabs.peaks (1.66, 0.85, 23.25 ppm; 3.61 A): 4 out of 24 assignments used, quality = 1.00: * HB2 LEU 64 + QD2 LEU 64 OK 100 100 100 100 2.2-3.2 3.1=100 HG LEU 64 + QD2 LEU 64 OK 78 78 100 100 2.1-2.1 2.1=100 HB2 LEU 68 + QD2 LEU 68 OK 57 57 100 100 2.1-3.2 3.1=100 HB2 LEU 68 + QD1 LEU 68 OK 52 52 100 100 2.0-3.2 3.1=100 HD3 LYS 62 - QD2 LEU 64 poor 20 99 20 - 3.4-10.0 HD2 LYS 62 - QD2 LEU 64 lone 1 98 25 3 3.0-8.6 836/4.7=2 HB2 LEU 64 - QD1 LEU 68 far 0 83 0 - 6.2-14.0 HD2 LYS 62 - QD1 LEU 68 far 0 79 0 - 6.2-15.4 HD3 LYS 60 - QD2 LEU 64 far 0 98 0 - 6.7-14.9 HD2 LYS 62 - QD2 LEU 68 far 0 85 0 - 6.7-16.1 HD3 LYS 62 - QD1 LEU 68 far 0 80 0 - 6.7-15.0 HD3 LYS 60 - QD2 LEU 68 far 0 85 0 - 6.8-22.4 HD3 LYS 60 - QD1 LEU 68 far 0 79 0 - 6.9-23.8 HD2 LYS 60 - QD1 LEU 68 far 0 77 0 - 7.0-24.0 HD2 LYS 60 - QD2 LEU 64 far 0 97 0 - 7.1-14.8 HD2 LYS 60 - QD2 LEU 68 far 0 82 0 - 7.2-22.6 HB2 LEU 64 - QD2 LEU 68 far 0 89 0 - 7.2-13.4 HG LEU 64 - QD1 LEU 68 far 0 58 0 - 7.3-14.3 HD3 LYS 62 - QD2 LEU 68 far 0 85 0 - 7.8-15.7 HG LEU 64 - QD2 LEU 68 far 0 63 0 - 8.0-14.4 HB3 GLN 15 - QD1 LEU 68 far 0 45 0 - 8.4-29.9 HB3 GLN 15 - QD2 LEU 68 far 0 50 0 - 8.7-30.9 HB2 LEU 68 - QD2 LEU 64 far 0 71 0 - 8.8-13.5 HB3 GLN 15 - QD2 LEU 64 far 0 63 0 - 9.6-29.7 Violated in 0 structures by 0.00 A. Peak 3239 from cnoeabs.peaks (1.62, 0.85, 23.25 ppm; 3.37 A): 8 out of 29 assignments used, quality = 1.00: * HB3 LEU 64 + QD2 LEU 64 OK 100 100 100 100 2.0-3.2 3.1=100 HG LEU 68 + QD2 LEU 68 OK 89 89 100 100 2.1-2.1 2.1=100 HG LEU 68 + QD1 LEU 68 OK 83 83 100 100 2.1-2.1 2.1=100 HB3 LEU 68 + QD2 LEU 68 OK 78 78 100 100 2.0-3.2 3.1=100 HG LEU 64 + QD2 LEU 64 OK 78 78 100 100 2.1-2.1 2.1=100 HB3 LEU 68 + QD1 LEU 68 OK 73 73 100 100 2.1-3.2 3.1=100 HB2 LEU 68 + QD2 LEU 68 OK 70 70 100 100 2.1-3.2 3.1=100 HB2 LEU 68 + QD1 LEU 68 OK 64 64 100 100 2.0-3.2 3.1=100 HG2 ARG 61 - QD2 LEU 68 far 0 66 0 - 5.8-17.8 HG3 ARG 61 - QD2 LEU 64 far 0 78 0 - 6.3-13.1 HB3 LEU 64 - QD1 LEU 68 far 0 83 0 - 6.7-14.2 HG3 ARG 21 - QD2 LEU 64 far 0 95 0 - 6.7-27.5 HG2 ARG 61 - QD2 LEU 64 far 0 81 0 - 7.1-13.6 HG3 ARG 61 - QD2 LEU 68 far 0 63 0 - 7.2-18.1 HG LEU 64 - QD1 LEU 68 far 0 58 0 - 7.3-14.3 HG LEU 68 - QD2 LEU 64 far 0 100 0 - 7.7-14.9 HB3 LEU 43 - QD1 LEU 68 far 0 73 0 - 7.8-30.5 HG2 ARG 61 - QD1 LEU 68 far 0 60 0 - 8.0-18.9 HG LEU 64 - QD2 LEU 68 far 0 63 0 - 8.0-14.4 HG3 ARG 61 - QD1 LEU 68 far 0 58 0 - 8.3-19.2 HB3 LEU 64 - QD2 LEU 68 far 0 89 0 - 8.3-13.2 HB3 GLN 15 - QD1 LEU 68 far 0 69 0 - 8.4-29.9 HB3 LEU 68 - QD2 LEU 64 far 0 93 0 - 8.5-14.3 HB2 LEU 41 - QD1 LEU 68 far 0 83 0 - 8.7-30.3 HB3 GLN 15 - QD2 LEU 68 far 0 75 0 - 8.7-30.9 HB2 LEU 68 - QD2 LEU 64 far 0 85 0 - 8.8-13.5 HG3 ARG 21 - QD2 LEU 68 far 0 80 0 - 9.0-27.8 HB3 LEU 43 - QD2 LEU 68 far 0 78 0 - 9.3-31.8 HB3 GLN 15 - QD2 LEU 64 far 0 90 0 - 9.6-29.7 Violated in 0 structures by 0.00 A. Peak 3240 from cnoeabs.peaks (1.64, 0.85, 23.25 ppm; 3.37 A): 9 out of 22 assignments used, quality = 1.00: * HG LEU 64 + QD2 LEU 64 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 68 + QD2 LEU 68 OK 88 88 100 100 2.1-3.2 3.1=100 HB3 LEU 68 + QD2 LEU 68 OK 85 85 100 100 2.0-3.2 3.1=100 HB2 LEU 68 + QD1 LEU 68 OK 83 83 100 100 2.0-3.2 3.1=100 HB3 LEU 68 + QD1 LEU 68 OK 80 80 100 100 2.1-3.2 3.1=100 HB3 LEU 64 + QD2 LEU 64 OK 78 78 100 100 2.0-3.2 3.1=100 HB2 LEU 64 + QD2 LEU 64 OK 78 78 100 100 2.2-3.2 3.1=100 HG LEU 68 + QD2 LEU 68 OK 59 59 100 100 2.1-2.1 2.1=100 HG LEU 68 + QD1 LEU 68 OK 54 54 100 100 2.1-2.1 2.1=100 HB2 LEU 64 - QD1 LEU 68 far 0 58 0 - 6.2-14.0 HB3 LEU 64 - QD1 LEU 68 far 0 58 0 - 6.7-14.2 HB2 LEU 64 - QD2 LEU 68 far 0 63 0 - 7.2-13.4 HG LEU 64 - QD1 LEU 68 far 0 83 0 - 7.3-14.3 HG LEU 68 - QD2 LEU 64 far 0 73 0 - 7.7-14.9 HG LEU 64 - QD2 LEU 68 far 0 89 0 - 8.0-14.4 HB3 LEU 64 - QD2 LEU 68 far 0 63 0 - 8.3-13.2 HB3 GLN 15 - QD1 LEU 68 far 0 81 0 - 8.4-29.9 HB3 LEU 68 - QD2 LEU 64 far 0 99 0 - 8.5-14.3 HB2 LEU 41 - QD1 LEU 68 far 0 58 0 - 8.7-30.3 HB3 GLN 15 - QD2 LEU 68 far 0 87 0 - 8.7-30.9 HB2 LEU 68 - QD2 LEU 64 far 0 100 0 - 8.8-13.5 HB3 GLN 15 - QD2 LEU 64 far 0 99 0 - 9.6-29.7 Violated in 0 structures by 0.00 A. Peak 3241 from cnoeabs.peaks (0.91, 0.85, 23.25 ppm; 2.45 A): 1 out of 9 assignments used, quality = 1.00: * QD1 LEU 64 + QD2 LEU 64 OK 100 100 100 100 1.9-2.1 2.1=100 QG2 ILE 50 - QD2 LEU 68 far 4 85 5 - 3.0-22.3 QG2 ILE 50 - QD1 LEU 68 far 4 80 5 - 3.7-21.3 QG2 ILE 50 - QD2 LEU 64 far 0 99 0 - 5.8-19.8 QD1 LEU 64 - QD1 LEU 68 far 0 83 0 - 6.1-12.4 QD1 LEU 64 - QD2 LEU 68 far 0 89 0 - 6.4-12.0 QD2 LEU 37 - QD1 LEU 68 far 0 75 0 - 8.1-22.1 QD2 LEU 37 - QD2 LEU 68 far 0 81 0 - 9.1-21.8 QD2 LEU 37 - QD2 LEU 64 far 0 96 0 - 9.8-22.9 Violated in 0 structures by 0.00 A. 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): 2 out of 4 assignments used, quality = 1.00: * H SER 65 + HA SER 65 OK 100 100 100 100 2.3-2.9 2.9=100 H SER 65 + HA SER 66 OK 40 61 100 64 4.6-5.8 842=32, 3251/3.0=21...(10) H GLN 63 - HA SER 66 far 6 43 15 - 5.2-10.6 H GLN 63 - HA SER 65 poor 5 81 25 23 5.0-8.7 351/2.9=8, ~3161=6...(5) Violated in 0 structures by 0.00 A. 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 5 assignments used, quality = 1.00: * HB2 SER 65 + HA SER 65 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 SER 66 + HA SER 66 OK 55 55 100 100 2.4-3.0 3.0=100 HB2 SER 65 - HA SER 66 poor 12 61 20 - 4.3-6.0 HB2 SER 66 - HA SER 65 poor 9 96 30 30 4.2-6.6 843/2.9=7, ~3251=6...(7) HA LYS 27 - HA SER 66 far 0 32 0 - 9.3-22.5 Violated in 0 structures by 0.00 A. 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 88 100 100 88 2.3-3.0 3.0=87 HB3 SER 66 + HA SER 66 OK 54 61 100 89 2.3-3.0 3.0=88, 3251/842=2 HB3 SER 66 - HA SER 65 far 5 100 5 - 4.3-6.2 HB3 SER 65 - HA SER 66 far 3 61 5 - 4.3-6.1 Violated in 0 structures by 0.00 A. Peak 3247 from cnoeabs.peaks (8.35, 3.93, 63.72 ppm; 5.13 A): 2 out of 4 assignments used, quality = 1.00: * H SER 65 + HB2 SER 65 OK 100 100 100 100 2.5-4.1 3.9=100 H SER 65 + HB2 SER 66 OK 42 82 75 67 4.2-7.4 3251/1.8=28, 843=27...(7) H GLN 63 - HB2 SER 66 far 9 60 15 - 5.9-11.5 H GLN 63 - HB2 SER 65 poor 6 81 30 24 3.4-9.2 4.6/3640=9, 351/3.9=8...(6) Violated in 0 structures by 0.00 A. Peak 3248 from cnoeabs.peaks (4.43, 3.93, 63.72 ppm; 3.27 A): 2 out of 6 assignments used, quality = 1.00: * HA SER 65 + HB2 SER 65 OK 100 100 100 100 2.3-3.0 3.0=100 HA SER 66 + HB2 SER 66 OK 69 69 100 100 2.4-3.0 3.0=100 HA SER 65 - HB2 SER 66 poor 10 82 35 34 4.2-6.6 2.9/843=8, ~3251=7...(7) HA SER 66 - HB2 SER 65 poor 6 90 30 21 4.3-6.0 842/3.9=8, 3.0/266=8...(4) HA TYR 57 - HB2 SER 65 far 0 100 0 - 4.8-20.7 HA TYR 57 - HB2 SER 66 far 0 82 0 - 8.1-21.2 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * HB3 SER 65 + HB2 SER 65 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 SER 66 + HB2 SER 66 OK 82 82 100 100 1.8-1.8 1.8=100 HB3 SER 65 - HB2 SER 66 far 0 82 0 - 4.3-7.6 HB3 SER 66 - HB2 SER 65 far 0 100 0 - 5.0-7.7 Violated in 0 structures by 0.00 A. Peak 3251 from cnoeabs.peaks (8.35, 3.87, 63.72 ppm; 4.97 A): 2 out of 4 assignments used, quality = 1.00: * H SER 65 + HB3 SER 65 OK 100 100 100 100 2.2-4.0 3.9=100 H SER 65 + HB3 SER 66 OK 53 98 80 67 4.4-7.3 844=32, 842/3.0=24...(7) H GLN 63 - HB3 SER 66 far 8 76 10 - 5.4-11.9 H GLN 63 - HB3 SER 65 lone 4 81 35 14 4.4-8.7 351/3.9=7, 3247/1.8=3 Violated in 0 structures by 0.00 A. Peak 3252 from cnoeabs.peaks (4.43, 3.87, 63.72 ppm; 3.23 A): 2 out of 6 assignments used, quality = 1.00: * HA SER 65 + HB3 SER 65 OK 100 100 100 100 2.3-3.0 3.0=100 HA SER 66 + HB3 SER 66 OK 86 86 100 100 2.3-3.0 3.0=100 HA SER 65 - HB3 SER 66 poor 12 98 45 28 4.3-6.2 2.9/3251=9, ~843=5...(6) HA SER 66 - HB3 SER 65 lone 6 90 40 17 4.3-6.1 842/3.9=8, ~266=5...(5) HA TYR 57 - HB3 SER 65 far 0 100 0 - 6.0-20.9 HA TYR 57 - HB3 SER 66 far 0 98 0 - 8.3-22.6 Violated in 0 structures by 0.00 A. Peak 3253 from cnoeabs.peaks (3.93, 3.87, 63.72 ppm; 2.40 A): 2 out of 6 assignments used, quality = 1.00: * HB2 SER 65 + HB3 SER 65 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 SER 66 + HB3 SER 66 OK 92 92 100 100 1.8-1.8 1.8=100 HB2 SER 66 - HB3 SER 65 far 0 96 0 - 4.3-7.6 HB2 SER 65 - HB3 SER 66 far 0 98 0 - 5.0-7.7 HA GLN 53 - HB3 SER 66 far 0 96 0 - 7.9-22.5 HA LYS 27 - HB3 SER 66 far 0 59 0 - 8.7-22.1 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * H SER 66 + HA SER 66 OK 100 100 100 100 2.8-2.9 3.0=100 H SER 66 + HA SER 65 OK 61 61 100 100 2.1-3.5 3.6=100 H LYS 62 - HA SER 65 far 0 43 0 - 5.9-11.4 H LYS 62 - HA SER 66 far 0 81 0 - 7.0-13.1 Violated in 0 structures by 0.00 A. 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 8 assignments used, quality = 1.00: * HB2 SER 66 + HA SER 66 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 SER 65 + HA SER 65 OK 55 55 100 100 2.3-3.0 3.0=100 HB2 SER 65 - HA SER 66 poor 19 96 20 - 4.3-6.0 HB2 SER 66 - HA SER 65 poor 18 61 30 - 4.2-6.6 HB3 SER 24 - HA SER 66 far 0 60 0 - 5.5-28.1 HB2 SER 24 - HA SER 66 far 0 65 0 - 6.1-26.9 HB3 SER 24 - HA SER 65 far 0 30 0 - 7.6-27.3 HB2 SER 24 - HA SER 65 far 0 33 0 - 7.9-26.0 Violated in 0 structures by 0.00 A. 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 90 100 100 90 2.3-3.0 3.0=90, 3251/842=1 HB3 SER 65 + HA SER 65 OK 55 61 100 89 2.3-3.0 3.0=89 HB3 SER 65 - HA SER 66 far 5 100 5 - 4.3-6.1 HB3 SER 66 - HA SER 65 far 3 61 5 - 4.3-6.2 Violated in 0 structures by 0.00 A. Peak 3260 from cnoeabs.peaks (4.45, 3.94, 63.84 ppm; 3.47 A): 2 out of 6 assignments used, quality = 1.00: * HA SER 66 + HB2 SER 66 OK 100 100 100 100 2.4-3.0 3.0=100 HA SER 65 + HB2 SER 65 OK 69 69 100 100 2.3-3.0 3.0=100 HA SER 65 - HB2 SER 66 poor 15 90 45 37 4.2-6.6 2.9/843=8, ~3251=8...(7) HA SER 66 - HB2 SER 65 poor 8 82 40 24 4.3-6.0 3.0/266=9, 842/3.9=9...(7) HA TYR 57 - HB2 SER 65 far 4 73 5 - 4.8-20.7 HA TYR 57 - HB2 SER 66 far 0 95 0 - 8.1-21.2 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * HB3 SER 66 + HB2 SER 66 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 SER 65 + HB2 SER 65 OK 82 82 100 100 1.8-1.8 1.8=100 HB3 SER 65 - HB2 SER 66 far 0 100 0 - 4.3-7.6 HB3 SER 66 - HB2 SER 65 far 0 82 0 - 5.0-7.7 Violated in 0 structures by 0.00 A. Peak 3264 from cnoeabs.peaks (4.45, 3.87, 63.84 ppm; 3.29 A): 2 out of 6 assignments used, quality = 1.00: * HA SER 66 + HB3 SER 66 OK 100 100 100 100 2.3-3.0 3.0=100 HA SER 65 + HB3 SER 65 OK 86 86 100 100 2.3-3.0 3.0=100 HA SER 65 - HB3 SER 66 poor 12 90 45 30 4.3-6.2 2.9/844=9, ~843=5...(6) HA SER 66 - HB3 SER 65 lone 7 98 40 18 4.3-6.1 842/3.9=7, ~266=5...(5) HA TYR 57 - HB3 SER 65 far 0 90 0 - 6.0-20.9 HA TYR 57 - HB3 SER 66 far 0 95 0 - 8.3-22.6 Violated in 0 structures by 0.00 A. Peak 3265 from cnoeabs.peaks (3.94, 3.87, 63.84 ppm; 2.40 A): 2 out of 9 assignments used, quality = 1.00: * HB2 SER 66 + HB3 SER 66 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 SER 65 + HB3 SER 65 OK 92 92 100 100 1.8-1.8 1.8=100 HB2 SER 66 - HB3 SER 65 far 0 98 0 - 4.3-7.6 HB2 SER 65 - HB3 SER 66 far 0 96 0 - 5.0-7.7 HB2 SER 24 - HB3 SER 66 far 0 65 0 - 6.3-26.4 HB3 SER 24 - HB3 SER 65 far 0 56 0 - 6.3-28.9 HB3 SER 24 - HB3 SER 66 far 0 60 0 - 6.4-27.6 HB2 SER 24 - HB3 SER 65 far 0 61 0 - 6.8-27.9 HA GLN 53 - HB3 SER 66 far 0 100 0 - 7.9-22.5 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * H GLU 67 + HA GLU 67 OK 100 100 100 100 2.3-2.9 3.0=100 H LEU 64 - HA GLU 67 far 0 92 0 - 6.7-11.4 H GLN 63 - HA GLU 67 far 0 73 0 - 8.1-13.3 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HB2 GLU 67 + HA GLU 67 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 GLN 63 - HA GLU 67 far 0 98 0 - 7.6-14.8 HB VAL 16 - HA GLU 67 far 0 96 0 - 8.9-30.6 Violated in 0 structures by 0.00 A. Peak 3270 from cnoeabs.peaks (1.96, 4.31, 56.58 ppm; 3.87 A): 1 out of 3 assignments used, quality = 1.00: * HB3 GLU 67 + HA GLU 67 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 ARG 55 - HA GLU 67 far 0 96 0 - 8.0-24.8 HB ILE 50 - HA GLU 67 far 0 76 0 - 8.3-28.7 Violated in 0 structures by 0.00 A. Peak 3271 from cnoeabs.peaks (2.28, 4.31, 56.58 ppm; 5.51 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLU 67 + HA GLU 67 OK 100 100 100 100 2.3-3.9 3.7=100 HG3 GLN 26 - HA GLU 67 far 0 98 0 - 9.2-29.4 HG2 GLN 26 - HA GLU 67 far 0 99 0 - 9.2-29.0 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-4.2 3.7=100 Violated in 0 structures by 0.00 A. Peak 3273 from cnoeabs.peaks (8.40, 2.09, 29.91 ppm; 4.93 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 67 + HB2 GLU 67 OK 100 100 100 100 2.4-4.1 4.0=100 H LEU 64 - HB2 GLU 67 far 0 92 0 - 7.5-12.9 H GLN 63 - HB2 GLU 67 far 0 73 0 - 7.7-14.3 Violated in 0 structures by 0.00 A. Peak 3274 from cnoeabs.peaks (4.31, 2.09, 29.91 ppm; 3.68 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 67 + HB2 GLU 67 OK 100 100 100 100 2.4-3.0 3.0=100 HA GLN 63 - HB2 GLU 67 far 0 100 0 - 9.1-14.7 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 3277 from cnoeabs.peaks (2.28, 2.09, 29.91 ppm; 3.34 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLU 67 + HB2 GLU 67 OK 100 100 100 100 2.3-2.6 2.8=100 HG3 GLN 26 - HB2 GLU 67 far 0 98 0 - 8.2-29.6 HG2 GLN 26 - HB2 GLU 67 far 0 99 0 - 8.6-30.2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 2.8=100 Violated in 8 structures by 0.00 A. Peak 3279 from cnoeabs.peaks (8.40, 1.96, 29.91 ppm; 4.38 A): 2 out of 7 assignments used, quality = 1.00: * H GLU 67 + HB3 GLU 67 OK 100 100 100 100 2.6-3.8 4.0=100 H GLU 20 + HB2 ARG 21 OK 59 69 100 85 4.3-5.0 52/4.0=62, 959/4.5=42...(5) H GLU 20 - HB3 ARG 21 far 6 63 10 - 5.8-6.3 H GLN 63 - HB3 GLU 67 far 0 73 0 - 6.8-14.5 H LEU 64 - HB3 GLU 67 far 0 92 0 - 7.7-12.9 H GLN 63 - HB2 ARG 21 far 0 47 0 - 9.2-27.0 H GLN 63 - HB3 ARG 21 far 0 42 0 - 9.3-27.5 Violated in 0 structures by 0.00 A. Peak 3280 from cnoeabs.peaks (4.31, 1.96, 29.91 ppm; 4.03 A): 1 out of 5 assignments used, quality = 1.00: * HA GLU 67 + HB3 GLU 67 OK 100 100 100 100 2.4-3.0 3.0=100 HA GLN 63 - HB3 GLU 67 far 0 100 0 - 7.8-14.6 HA GLN 63 - HB3 ARG 21 far 0 68 0 - 9.2-28.8 HA LEU 41 - HB2 ARG 21 far 0 41 0 - 9.5-10.9 HA GLN 63 - HB2 ARG 21 far 0 74 0 - 9.6-28.9 Violated in 0 structures by 0.00 A. Peak 3281 from cnoeabs.peaks (2.09, 1.96, 29.91 ppm; 2.40 A): 1 out of 8 assignments used, quality = 1.00: * HB2 GLU 67 + HB3 GLU 67 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LYS 22 - HB2 ARG 21 far 4 35 10 - 3.8-5.8 HB2 LYS 22 - HB3 ARG 21 far 0 32 0 - 4.3-6.8 HB2 GLN 63 - HB3 GLU 67 far 0 98 0 - 5.8-16.2 HB2 GLN 63 - HB3 ARG 21 far 0 64 0 - 8.8-28.8 HB2 GLN 63 - HB2 ARG 21 far 0 70 0 - 9.1-28.7 HB VAL 16 - HB2 ARG 21 far 0 66 0 - 9.9-10.9 HB VAL 16 - HB3 GLU 67 far 0 96 0 - 9.9-29.8 Violated in 0 structures by 0.00 A. 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 8 assignments used, quality = 1.00: * HG2 GLU 67 + HB3 GLU 67 OK 100 100 100 100 3.0-3.0 2.8=100 HG2 GLU 18 - HB2 ARG 21 far 7 73 10 - 5.2-6.8 HG2 GLU 18 - HB3 ARG 21 far 0 67 0 - 6.6-8.2 HG3 GLN 26 - HB3 GLU 67 far 0 98 0 - 7.6-29.8 HG2 GLN 26 - HB3 GLU 67 far 0 99 0 - 7.9-30.4 HG2 GLN 26 - HB3 ARG 21 far 0 65 0 - 8.6-12.7 HG2 GLN 26 - HB2 ARG 21 far 0 70 0 - 8.7-13.4 HG2 GLN 15 - HB2 ARG 21 far 0 58 0 - 9.2-11.1 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-2.6 2.8=100 Violated in 0 structures by 0.00 A. Peak 3286 from cnoeabs.peaks (4.31, 2.28, 36.01 ppm; 4.36 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 67 + HG2 GLU 67 OK 100 100 100 100 2.3-3.9 3.7=100 HA GLN 63 - HG2 GLU 67 far 0 100 0 - 7.7-16.0 Violated in 0 structures by 0.00 A. Peak 3287 from cnoeabs.peaks (2.09, 2.28, 36.01 ppm; 2.92 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLU 67 + HG2 GLU 67 OK 100 100 100 100 2.3-2.6 2.8=100 HB2 GLN 63 - HG2 GLU 67 far 0 98 0 - 5.7-17.5 Violated in 0 structures by 0.00 A. Peak 3288 from cnoeabs.peaks (1.96, 2.28, 36.01 ppm; 4.40 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLU 67 + HG2 GLU 67 OK 100 100 100 100 3.0-3.0 2.8=100 HB ILE 50 - HG2 GLU 67 far 0 76 0 - 9.2-29.8 Violated in 0 structures by 0.00 A. 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 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 3292 from cnoeabs.peaks (4.31, 2.25, 36.01 ppm; 4.60 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 67 + HG3 GLU 67 OK 100 100 100 100 2.4-4.2 3.7=100 HA GLN 63 - HG3 GLU 67 far 0 100 0 - 7.0-15.3 Violated in 0 structures by 0.00 A. Peak 3293 from cnoeabs.peaks (2.09, 2.25, 36.01 ppm; 3.08 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLU 67 + HG3 GLU 67 OK 100 100 100 100 2.3-3.0 2.8=100 HB2 GLN 63 - HG3 GLU 67 far 0 98 0 - 5.3-16.5 Violated in 0 structures by 0.00 A. Peak 3294 from cnoeabs.peaks (1.96, 2.25, 36.01 ppm; 4.19 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLU 67 + HG3 GLU 67 OK 100 100 100 100 2.4-2.6 2.8=100 HB ILE 50 - HG3 GLU 67 far 0 76 0 - 7.7-29.6 Violated in 0 structures by 0.00 A. Peak 3295 from cnoeabs.peaks (2.28, 2.25, 36.01 ppm; 2.40 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLU 67 + HG3 GLU 67 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLN 26 - HG3 GLU 67 far 0 98 0 - 5.4-29.4 HG2 GLN 26 - HG3 GLU 67 far 0 99 0 - 5.7-30.0 Violated in 0 structures by 0.00 A. 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 8 assignments used, quality = 1.00: * H LEU 68 + HA LEU 68 OK 100 100 100 100 2.3-2.9 3.0=100 H ARG 61 - HA LEU 64 far 0 34 0 - 6.7-12.3 H LEU 68 - HA LEU 64 far 0 72 0 - 6.8-12.6 H LYS 27 - HA LEU 68 far 0 78 0 - 8.2-27.1 H ARG 61 - HA LEU 68 far 0 57 0 - 8.9-20.3 H SER 24 - HA LEU 64 far 0 60 0 - 9.1-25.6 H LEU 68 - HA ASN 54 far 0 88 0 - 9.3-25.5 H ARG 61 - HA ASN 54 far 0 45 0 - 9.5-14.7 Violated in 0 structures by 0.00 A. 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): 6 out of 17 assignments used, quality = 1.00: * HB2 LEU 68 + HA LEU 68 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LEU 68 + HA LEU 68 OK 100 100 100 100 2.3-3.0 3.0=100 HG LEU 68 + HA LEU 68 OK 75 81 100 92 2.3-4.3 3.6=82, 2.1/3326=23...(7) HG LEU 64 + HA LEU 64 OK 68 71 100 96 2.2-3.7 3.7=80, 3222/2.9=29...(11) HB3 LEU 64 + HA LEU 64 OK 54 54 100 100 2.3-3.0 3.0=100 HB2 LEU 64 + HA LEU 64 OK 43 43 100 100 2.3-3.0 3.0=100 HG LEU 64 - HA ASN 54 far 0 88 0 - 5.3-24.1 HG LEU 68 - HA ASN 54 far 0 65 0 - 5.7-27.9 HB2 LEU 64 - HA ASN 54 far 0 56 0 - 6.0-23.9 HB3 LEU 64 - HA ASN 54 far 0 69 0 - 6.8-24.0 HB3 LEU 68 - HA ASN 54 far 0 87 0 - 6.9-27.6 HB2 LEU 68 - HA ASN 54 far 0 88 0 - 7.0-28.8 HG LEU 68 - HA LEU 64 far 0 51 0 - 7.5-15.5 HB2 LEU 68 - HA LEU 64 far 0 72 0 - 7.8-15.0 HB3 LEU 68 - HA LEU 64 far 0 70 0 - 8.7-15.4 HB3 LEU 64 - HA LEU 68 far 0 85 0 - 9.0-14.9 HB2 LEU 64 - HA LEU 68 far 0 71 0 - 9.1-15.1 Violated in 0 structures by 0.00 A. Peak 3300 from cnoeabs.peaks (1.63, 4.36, 54.95 ppm; 3.41 A): 5 out of 15 assignments used, quality = 1.00: * HB3 LEU 68 + HA LEU 68 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LEU 68 + HA LEU 68 OK 100 100 100 100 2.3-3.0 3.0=100 HG LEU 68 + HA LEU 68 OK 84 90 100 92 2.3-4.3 3.6=82, 2.1/3326=23...(7) HG LEU 64 + HA LEU 64 OK 65 68 100 96 2.2-3.7 3.7=80, 3222/2.9=28...(11) HB3 LEU 64 + HA LEU 64 OK 62 62 100 100 2.3-3.0 3.0=100 HG LEU 64 - HA ASN 54 far 0 85 0 - 5.3-24.1 HG LEU 68 - HA ASN 54 far 0 75 0 - 5.7-27.9 HB3 LEU 64 - HA ASN 54 far 0 78 0 - 6.8-24.0 HB3 LEU 68 - HA ASN 54 far 0 88 0 - 6.9-27.6 HB2 LEU 68 - HA ASN 54 far 0 87 0 - 7.0-28.8 HG LEU 68 - HA LEU 64 far 0 59 0 - 7.5-15.5 HB2 LEU 68 - HA LEU 64 far 0 70 0 - 7.8-15.0 HG3 ARG 21 - HA LEU 64 far 0 40 0 - 8.5-30.5 HB3 LEU 68 - HA LEU 64 far 0 72 0 - 8.7-15.4 HB3 LEU 64 - HA LEU 68 far 0 93 0 - 9.0-14.9 Violated in 0 structures by 0.00 A. Peak 3301 from cnoeabs.peaks (1.61, 4.36, 54.95 ppm; 3.53 A): 5 out of 20 assignments used, quality = 1.00: * HG LEU 68 + HA LEU 68 OK 96 100 100 96 2.3-4.3 3.6=91, 2.1/3326=24...(7) HB3 LEU 68 + HA LEU 68 OK 90 90 100 100 2.3-3.0 3.0=100 HB2 LEU 68 + HA LEU 68 OK 81 81 100 100 2.3-3.0 3.0=100 HB3 LEU 64 + HA LEU 64 OK 71 71 100 100 2.3-3.0 3.0=100 HG LEU 64 + HA LEU 64 OK 44 45 100 98 2.2-3.7 3.7=89, 3211/3.0=26...(10) HG2 ARG 61 - HA LEU 68 far 0 85 0 - 5.1-21.5 HG LEU 64 - HA ASN 54 far 0 59 0 - 5.3-24.1 HG LEU 68 - HA ASN 54 far 0 88 0 - 5.7-27.9 HB3 LEU 64 - HA ASN 54 far 0 88 0 - 6.8-24.0 HG3 ARG 61 - HA LEU 68 far 0 83 0 - 6.8-21.1 HB3 LEU 68 - HA ASN 54 far 0 75 0 - 6.9-27.6 HB2 LEU 68 - HA ASN 54 far 0 65 0 - 7.0-28.8 HG LEU 68 - HA LEU 64 far 0 72 0 - 7.5-15.5 HG3 ARG 61 - HA LEU 64 far 0 52 0 - 7.7-14.0 HB2 LEU 68 - HA LEU 64 far 0 51 0 - 7.8-15.0 HG2 ARG 61 - HA LEU 64 far 0 54 0 - 8.3-13.7 HG3 ARG 21 - HA LEU 64 far 0 65 0 - 8.5-30.5 HB3 LEU 68 - HA LEU 64 far 0 59 0 - 8.7-15.4 HB3 LEU 64 - HA LEU 68 far 0 100 0 - 9.0-14.9 HG3 ARG 61 - HA ASN 54 far 0 67 0 - 9.8-17.0 Violated in 0 structures by 0.00 A. Peak 3302 from cnoeabs.peaks (0.86, 4.36, 54.95 ppm; 3.90 A): 3 out of 10 assignments used, quality = 1.00: * QD1 LEU 68 + HA LEU 68 OK 100 100 100 100 2.0-4.1 3.9=99, 2.1/3326=28...(7) QD2 LEU 68 + HA LEU 68 OK 99 100 100 100 2.1-3.9 3.9=99, 2.1/3326=28...(7) QD2 LEU 64 + HA LEU 64 OK 63 63 100 100 2.0-3.9 3.9=100 QD2 LEU 68 - HA ASN 54 far 13 88 15 - 4.3-22.6 QD1 LEU 68 - HA ASN 54 far 4 88 5 - 4.6-21.3 QD2 LEU 64 - HA ASN 54 far 4 79 5 - 5.4-19.1 QD2 LEU 68 - HA LEU 64 far 0 71 0 - 6.5-12.8 QD1 LEU 68 - HA LEU 64 far 0 72 0 - 6.5-13.2 QD2 LEU 64 - HA LEU 68 far 0 95 0 - 9.3-13.9 QD2 LEU 43 - HA LEU 68 far 0 99 0 - 9.7-32.0 Violated in 0 structures by 0.00 A. Peak 3303 from cnoeabs.peaks (0.86, 4.36, 54.95 ppm; 3.90 A): 3 out of 10 assignments used, quality = 1.00: * QD2 LEU 68 + HA LEU 68 OK 100 100 100 100 2.1-3.9 3.9=99, 2.1/3326=28...(7) QD1 LEU 68 + HA LEU 68 OK 99 100 100 100 2.0-4.1 3.9=99, 2.1/3326=28...(7) QD2 LEU 64 + HA LEU 64 OK 66 66 100 100 2.0-3.9 3.9=100 QD2 LEU 68 - HA ASN 54 far 13 88 15 - 4.3-22.6 QD1 LEU 68 - HA ASN 54 far 4 88 5 - 4.6-21.3 QD2 LEU 64 - HA ASN 54 far 4 83 5 - 5.4-19.1 QD2 LEU 68 - HA LEU 64 far 0 72 0 - 6.5-12.8 QD1 LEU 68 - HA LEU 64 far 0 71 0 - 6.5-13.2 QD2 LEU 64 - HA LEU 68 far 0 97 0 - 9.3-13.9 QD2 LEU 43 - HA LEU 68 far 0 100 0 - 9.7-32.0 Violated in 0 structures by 0.00 A. Peak 3304 from cnoeabs.peaks (8.14, 1.64, 42.41 ppm; 4.88 A): 2 out of 10 assignments used, quality = 1.00: * H LEU 68 + HB2 LEU 68 OK 100 100 100 100 2.4-4.0 3.8=100 H LEU 68 + HB3 LEU 68 OK 99 99 100 100 2.3-4.1 3.8=100 H LYS 27 - HB3 LEU 68 far 0 75 0 - 6.9-29.0 H LYS 27 - HB2 LEU 68 far 0 78 0 - 7.9-29.4 H ARG 61 - HB3 LEU 68 far 0 55 0 - 8.2-21.3 H LEU 68 - HB3 LEU 64 far 0 61 0 - 8.7-12.4 H ARG 61 - HB3 LEU 64 far 0 28 0 - 8.9-13.9 H THR 46 - HB2 LEU 41 far 0 57 0 - 9.1-10.9 H ARG 61 - HB2 LEU 68 far 0 57 0 - 9.2-21.9 H ALA 35 - HB2 LEU 41 far 0 54 0 - 9.6-11.9 Violated in 0 structures by 0.00 A. Peak 3305 from cnoeabs.peaks (4.36, 1.64, 42.41 ppm; 3.62 A): 4 out of 16 assignments used, quality = 1.00: * HA LEU 68 + HB2 LEU 68 OK 100 100 100 100 2.3-3.0 3.0=100 HA LEU 68 + HB3 LEU 68 OK 99 99 100 100 2.3-3.0 3.0=100 HA LEU 64 + HB3 LEU 64 OK 55 55 100 100 2.3-3.0 3.0=100 HA LEU 41 + HB2 LEU 41 OK 37 37 100 100 2.4-3.0 3.0=100 HA ASN 40 - HB2 LEU 41 far 0 54 0 - 5.8-6.6 HB2 SER 12 - HB2 LEU 41 far 0 52 0 - 6.8-9.8 HA ASN 54 - HB3 LEU 64 far 0 58 0 - 6.8-24.0 HA ASN 54 - HB3 LEU 68 far 0 97 0 - 6.9-27.6 HA ASN 54 - HB2 LEU 68 far 0 99 0 - 7.0-28.8 HA HIS 13 - HB3 LEU 68 far 0 93 0 - 7.8-37.9 HA LEU 64 - HB2 LEU 68 far 0 97 0 - 7.8-15.0 HA HIS 13 - HB2 LEU 68 far 0 96 0 - 7.8-38.7 HA HIS 13 - HB3 LEU 64 far 0 54 0 - 8.3-34.3 HA LEU 64 - HB3 LEU 68 far 0 94 0 - 8.7-15.4 HA LEU 68 - HB3 LEU 64 far 0 61 0 - 9.0-14.9 HA LYS 22 - HB2 LEU 41 far 0 51 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 3306 from cnoeabs.peaks (1.64, 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 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): 6 out of 13 assignments used, quality = 1.00: * QD1 LEU 68 + HB2 LEU 68 OK 100 100 100 100 2.0-3.2 3.1=100 QD2 LEU 68 + HB2 LEU 68 OK 100 100 100 100 2.1-3.2 3.1=100 QD1 LEU 68 + HB3 LEU 68 OK 99 99 100 100 2.1-3.2 3.1=100 QD2 LEU 68 + HB3 LEU 68 OK 99 99 100 100 2.0-3.2 3.1=100 QD2 LEU 64 + HB3 LEU 64 OK 53 53 100 100 2.0-3.2 3.1=100 QD2 LEU 43 + HB2 LEU 41 OK 53 55 100 95 3.9-4.9 ~4819=52, 4464/1.8=38...(16) QD1 LEU 68 - HB3 LEU 64 far 0 61 0 - 6.7-14.2 QD2 LEU 43 - HB3 LEU 68 far 0 97 0 - 7.6-32.4 QD2 LEU 43 - HB2 LEU 68 far 0 99 0 - 7.7-33.1 QD2 LEU 68 - HB3 LEU 64 far 0 61 0 - 8.3-13.2 QD2 LEU 64 - HB3 LEU 68 far 0 92 0 - 8.5-14.3 QD1 LEU 68 - HB2 LEU 41 far 0 57 0 - 8.7-30.3 QD2 LEU 64 - HB2 LEU 68 far 0 95 0 - 8.8-13.5 Violated in 0 structures by 0.00 A. Peak 3310 from cnoeabs.peaks (0.86, 1.64, 42.41 ppm; 3.91 A): 6 out of 13 assignments used, quality = 1.00: * QD2 LEU 68 + HB2 LEU 68 OK 100 100 100 100 2.1-3.2 3.1=100 QD1 LEU 68 + HB2 LEU 68 OK 100 100 100 100 2.0-3.2 3.1=100 QD2 LEU 68 + HB3 LEU 68 OK 99 99 100 100 2.0-3.2 3.1=100 QD1 LEU 68 + HB3 LEU 68 OK 99 99 100 100 2.1-3.2 3.1=100 QD2 LEU 64 + HB3 LEU 64 OK 56 56 100 100 2.0-3.2 3.1=100 QD2 LEU 43 + HB2 LEU 41 OK 54 57 100 96 3.9-4.9 ~4819=52, 4464/1.8=43...(16) QD1 LEU 68 - HB3 LEU 64 far 0 61 0 - 6.7-14.2 QD2 LEU 43 - HB3 LEU 68 far 0 98 0 - 7.6-32.4 QD2 LEU 43 - HB2 LEU 68 far 0 100 0 - 7.7-33.1 QD2 LEU 68 - HB3 LEU 64 far 0 61 0 - 8.3-13.2 QD2 LEU 64 - HB3 LEU 68 far 0 95 0 - 8.5-14.3 QD1 LEU 68 - HB2 LEU 41 far 0 57 0 - 8.7-30.3 QD2 LEU 64 - HB2 LEU 68 far 0 97 0 - 8.8-13.5 Violated in 0 structures by 0.00 A. Peak 3311 from cnoeabs.peaks (8.14, 1.63, 42.41 ppm; 4.72 A): 2 out of 10 assignments used, quality = 1.00: * H LEU 68 + HB3 LEU 68 OK 100 100 100 100 2.3-4.1 3.8=100 H LEU 68 + HB2 LEU 68 OK 99 99 100 100 2.4-4.0 3.8=100 H LYS 27 - HB3 LEU 68 far 0 78 0 - 6.9-29.0 H LYS 27 - HB2 LEU 68 far 0 75 0 - 7.9-29.4 H ARG 61 - HB3 LEU 68 far 0 57 0 - 8.2-21.3 H LEU 68 - HB3 LEU 64 far 0 80 0 - 8.7-12.4 H ARG 61 - HB3 LEU 64 far 0 39 0 - 8.9-13.9 H THR 46 - HB2 LEU 41 far 0 76 0 - 9.1-10.9 H ARG 61 - HB2 LEU 68 far 0 55 0 - 9.2-21.9 H ALA 35 - HB2 LEU 41 far 0 72 0 - 9.6-11.9 Violated in 0 structures by 0.00 A. Peak 3312 from cnoeabs.peaks (4.36, 1.63, 42.41 ppm; 3.43 A): 4 out of 16 assignments used, quality = 1.00: * HA LEU 68 + HB3 LEU 68 OK 100 100 100 100 2.3-3.0 3.0=100 HA LEU 68 + HB2 LEU 68 OK 99 99 100 100 2.3-3.0 3.0=100 HA LEU 64 + HB3 LEU 64 OK 74 74 100 100 2.3-3.0 3.0=100 HA LEU 41 + HB2 LEU 41 OK 50 50 100 100 2.4-3.0 3.0=100 HA ASN 40 - HB2 LEU 41 far 0 72 0 - 5.8-6.6 HB2 SER 12 - HB2 LEU 41 far 0 70 0 - 6.8-9.8 HA ASN 54 - HB3 LEU 64 far 0 77 0 - 6.8-24.0 HA ASN 54 - HB3 LEU 68 far 0 99 0 - 6.9-27.6 HA ASN 54 - HB2 LEU 68 far 0 97 0 - 7.0-28.8 HA HIS 13 - HB3 LEU 68 far 0 96 0 - 7.8-37.9 HA LEU 64 - HB2 LEU 68 far 0 94 0 - 7.8-15.0 HA HIS 13 - HB2 LEU 68 far 0 93 0 - 7.8-38.7 HA HIS 13 - HB3 LEU 64 far 0 73 0 - 8.3-34.3 HA LEU 64 - HB3 LEU 68 far 0 97 0 - 8.7-15.4 HA LEU 68 - HB3 LEU 64 far 0 80 0 - 9.0-14.9 HA LYS 22 - HB2 LEU 41 far 0 69 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. 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): 6 out of 13 assignments used, quality = 1.00: * QD1 LEU 68 + HB3 LEU 68 OK 100 100 100 100 2.1-3.2 3.1=100 QD2 LEU 68 + HB3 LEU 68 OK 100 100 100 100 2.0-3.2 3.1=100 QD1 LEU 68 + HB2 LEU 68 OK 99 99 100 100 2.0-3.2 3.1=100 QD2 LEU 68 + HB2 LEU 68 OK 99 99 100 100 2.1-3.2 3.1=100 QD2 LEU 64 + HB3 LEU 64 OK 71 71 100 100 2.0-3.2 3.1=100 QD2 LEU 43 + HB2 LEU 41 OK 71 74 100 97 3.9-4.9 ~4819=51, 2.1/4820=43...(15) QD1 LEU 68 - HB3 LEU 64 far 0 80 0 - 6.7-14.2 QD2 LEU 43 - HB3 LEU 68 far 0 99 0 - 7.6-32.4 QD2 LEU 43 - HB2 LEU 68 far 0 97 0 - 7.7-33.1 QD2 LEU 68 - HB3 LEU 64 far 0 80 0 - 8.3-13.2 QD2 LEU 64 - HB3 LEU 68 far 0 95 0 - 8.5-14.3 QD1 LEU 68 - HB2 LEU 41 far 0 76 0 - 8.7-30.3 QD2 LEU 64 - HB2 LEU 68 far 0 92 0 - 8.8-13.5 Violated in 0 structures by 0.00 A. Peak 3317 from cnoeabs.peaks (0.86, 1.63, 42.41 ppm; 3.87 A): 6 out of 13 assignments used, quality = 1.00: * QD2 LEU 68 + HB3 LEU 68 OK 100 100 100 100 2.0-3.2 3.1=100 QD1 LEU 68 + HB3 LEU 68 OK 100 100 100 100 2.1-3.2 3.1=100 QD2 LEU 68 + HB2 LEU 68 OK 99 99 100 100 2.1-3.2 3.1=100 QD1 LEU 68 + HB2 LEU 68 OK 99 99 100 100 2.0-3.2 3.1=100 QD2 LEU 64 + HB3 LEU 64 OK 75 75 100 100 2.0-3.2 3.1=100 QD2 LEU 43 + HB2 LEU 41 OK 73 75 100 97 3.9-4.9 ~4819=51, 2.1/4820=43...(15) QD1 LEU 68 - HB3 LEU 64 far 0 80 0 - 6.7-14.2 QD2 LEU 43 - HB3 LEU 68 far 0 100 0 - 7.6-32.4 QD2 LEU 43 - HB2 LEU 68 far 0 98 0 - 7.7-33.1 QD2 LEU 68 - HB3 LEU 64 far 0 80 0 - 8.3-13.2 QD2 LEU 64 - HB3 LEU 68 far 0 97 0 - 8.5-14.3 QD1 LEU 68 - HB2 LEU 41 far 0 76 0 - 8.7-30.3 QD2 LEU 64 - HB2 LEU 68 far 0 95 0 - 8.8-13.5 Violated in 0 structures by 0.00 A. Peak 3319 from cnoeabs.peaks (4.36, 1.61, 26.77 ppm; 4.60 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 68 + HG LEU 68 OK 100 100 100 100 2.3-4.3 3.6=100 HA ASN 54 - HG LEU 68 far 5 99 5 - 5.7-27.9 HA LEU 64 - HG LEU 68 far 0 97 0 - 7.5-15.5 HA HIS 13 - HG LEU 68 far 0 96 0 - 8.7-37.2 Violated in 0 structures by 0.00 A. 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 4 assignments used, quality = 1.00: * QD1 LEU 68 + HG LEU 68 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 68 + HG LEU 68 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 64 - HG LEU 68 far 0 95 0 - 7.7-14.9 QD2 LEU 43 - HG LEU 68 far 0 99 0 - 8.5-32.4 Violated in 0 structures by 0.00 A. Peak 3324 from cnoeabs.peaks (0.86, 1.61, 26.77 ppm; 5.10 A): 2 out of 4 assignments used, quality = 1.00: * QD2 LEU 68 + HG LEU 68 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 68 + HG LEU 68 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 64 - HG LEU 68 far 0 97 0 - 7.7-14.9 QD2 LEU 43 - HG LEU 68 far 0 100 0 - 8.5-32.4 Violated in 0 structures by 0.00 A. Peak 3326 from cnoeabs.peaks (4.36, 0.86, 23.20 ppm; 3.51 A): 3 out of 15 assignments used, quality = 1.00: * HA LEU 68 + QD1 LEU 68 OK 88 100 100 88 2.0-4.1 3.9=72, 3302/2.1=22...(7) HA LEU 68 + QD2 LEU 68 OK 87 99 100 88 2.1-3.9 3.9=72, 3302/2.1=22...(7) HA LEU 64 + QD2 LEU 64 OK 72 77 100 94 2.0-3.9 3.9=73, 3203/2.1=23...(12) HA ASN 54 - QD2 LEU 68 far 15 97 15 - 4.3-22.6 HA ASN 54 - QD1 LEU 68 far 5 99 5 - 4.6-21.3 HA HIS 13 - QD1 LEU 68 far 0 96 0 - 5.2-29.7 HA ASN 54 - QD2 LEU 64 far 0 80 0 - 5.4-19.1 HA HIS 13 - QD2 LEU 64 far 0 75 0 - 5.8-28.7 HA LEU 64 - QD2 LEU 68 far 0 95 0 - 6.5-12.8 HA LEU 64 - QD1 LEU 68 far 0 97 0 - 6.5-13.2 HA HIS 13 - QD2 LEU 68 far 0 94 0 - 6.5-30.5 HB2 SER 12 - QD1 LEU 68 far 0 97 0 - 9.1-31.7 HA LEU 68 - QD2 LEU 64 far 0 83 0 - 9.3-13.9 HA LEU 41 - QD1 LEU 68 far 0 76 0 - 9.7-31.8 HB2 SER 12 - QD2 LEU 64 far 0 77 0 - 9.8-32.0 Violated in 0 structures by 0.00 A. Peak 3327 from cnoeabs.peaks (1.64, 0.86, 23.20 ppm; 3.33 A): 9 out of 22 assignments used, quality = 1.00: * HB2 LEU 68 + QD1 LEU 68 OK 100 100 100 100 2.0-3.2 3.1=100 HB3 LEU 68 + QD1 LEU 68 OK 100 100 100 100 2.1-3.2 3.1=100 HB2 LEU 68 + QD2 LEU 68 OK 99 99 100 100 2.1-3.2 3.1=100 HB3 LEU 68 + QD2 LEU 68 OK 99 99 100 100 2.0-3.2 3.1=100 HG LEU 64 + QD2 LEU 64 OK 83 83 100 100 2.1-2.1 2.1=100 HG LEU 68 + QD1 LEU 68 OK 81 81 100 100 2.1-2.1 2.1=100 HG LEU 68 + QD2 LEU 68 OK 79 79 100 100 2.1-2.1 2.1=100 HB3 LEU 64 + QD2 LEU 64 OK 64 64 100 100 2.0-3.2 3.1=100 HB2 LEU 64 + QD2 LEU 64 OK 52 52 100 100 2.2-3.2 3.1=100 HB2 LEU 64 - QD1 LEU 68 far 0 71 0 - 6.2-14.0 HB3 LEU 64 - QD1 LEU 68 far 0 85 0 - 6.7-14.2 HB2 LEU 64 - QD2 LEU 68 far 0 69 0 - 7.2-13.4 HG LEU 64 - QD1 LEU 68 far 0 100 0 - 7.3-14.3 HG LEU 68 - QD2 LEU 64 far 0 60 0 - 7.7-14.9 HG LEU 64 - QD2 LEU 68 far 0 99 0 - 8.0-14.4 HB3 LEU 64 - QD2 LEU 68 far 0 83 0 - 8.3-13.2 HB3 GLN 15 - QD1 LEU 68 far 0 100 0 - 8.4-29.9 HB3 LEU 68 - QD2 LEU 64 far 0 82 0 - 8.5-14.3 HB2 LEU 41 - QD1 LEU 68 far 0 85 0 - 8.7-30.3 HB3 GLN 15 - QD2 LEU 68 far 0 99 0 - 8.7-30.9 HB2 LEU 68 - QD2 LEU 64 far 0 83 0 - 8.8-13.5 HB3 GLN 15 - QD2 LEU 64 far 0 83 0 - 9.6-29.7 Violated in 0 structures by 0.00 A. Peak 3328 from cnoeabs.peaks (1.63, 0.86, 23.20 ppm; 3.33 A): 8 out of 23 assignments used, quality = 1.00: * HB3 LEU 68 + QD1 LEU 68 OK 100 100 100 100 2.1-3.2 3.1=100 HB2 LEU 68 + QD1 LEU 68 OK 100 100 100 100 2.0-3.2 3.1=100 HB3 LEU 68 + QD2 LEU 68 OK 99 99 100 100 2.0-3.2 3.1=100 HB2 LEU 68 + QD2 LEU 68 OK 99 99 100 100 2.1-3.2 3.1=100 HG LEU 68 + QD1 LEU 68 OK 90 90 100 100 2.1-2.1 2.1=100 HG LEU 68 + QD2 LEU 68 OK 89 89 100 100 2.1-2.1 2.1=100 HG LEU 64 + QD2 LEU 64 OK 80 80 100 100 2.1-2.1 2.1=100 HB3 LEU 64 + QD2 LEU 64 OK 73 73 100 100 2.0-3.2 3.1=100 HB3 LEU 64 - QD1 LEU 68 far 0 93 0 - 6.7-14.2 HG3 ARG 21 - QD2 LEU 64 far 0 48 0 - 6.7-27.5 HG LEU 64 - QD1 LEU 68 far 0 99 0 - 7.3-14.3 HG LEU 68 - QD2 LEU 64 far 0 69 0 - 7.7-14.9 HB3 LEU 43 - QD1 LEU 68 far 0 63 0 - 7.8-30.5 HG LEU 64 - QD2 LEU 68 far 0 97 0 - 8.0-14.4 HB3 LEU 64 - QD2 LEU 68 far 0 92 0 - 8.3-13.2 HB3 GLN 15 - QD1 LEU 68 far 0 100 0 - 8.4-29.9 HB3 LEU 68 - QD2 LEU 64 far 0 83 0 - 8.5-14.3 HB2 LEU 41 - QD1 LEU 68 far 0 93 0 - 8.7-30.3 HB3 GLN 15 - QD2 LEU 68 far 0 99 0 - 8.7-30.9 HB2 LEU 68 - QD2 LEU 64 far 0 82 0 - 8.8-13.5 HG3 ARG 21 - QD2 LEU 68 far 0 64 0 - 9.0-27.8 HB3 LEU 43 - QD2 LEU 68 far 0 61 0 - 9.3-31.8 HB3 GLN 15 - QD2 LEU 64 far 0 83 0 - 9.6-29.7 Violated in 0 structures by 0.00 A. Peak 3329 from cnoeabs.peaks (1.61, 0.86, 23.20 ppm; 3.60 A): 8 out of 29 assignments used, quality = 1.00: * HG LEU 68 + QD1 LEU 68 OK 100 100 100 100 2.1-2.1 2.1=100 HG LEU 68 + QD2 LEU 68 OK 99 99 100 100 2.1-2.1 2.1=100 HB3 LEU 68 + QD1 LEU 68 OK 90 90 100 100 2.1-3.2 3.1=100 HB3 LEU 68 + QD2 LEU 68 OK 89 89 100 100 2.0-3.2 3.1=100 HB3 LEU 64 + QD2 LEU 64 OK 83 83 100 100 2.0-3.2 3.1=100 HB2 LEU 68 + QD1 LEU 68 OK 81 81 100 100 2.0-3.2 3.1=100 HB2 LEU 68 + QD2 LEU 68 OK 79 79 100 100 2.1-3.2 3.1=100 HG LEU 64 + QD2 LEU 64 OK 54 54 100 100 2.1-2.1 2.1=100 HG2 ARG 61 - QD2 LEU 68 far 0 83 0 - 5.8-17.8 HG3 ARG 61 - QD2 LEU 64 far 0 62 0 - 6.3-13.1 HB3 LEU 64 - QD1 LEU 68 far 0 100 0 - 6.7-14.2 HG3 ARG 21 - QD2 LEU 64 far 0 77 0 - 6.7-27.5 HG2 ARG 61 - QD2 LEU 64 far 0 64 0 - 7.1-13.6 HG3 ARG 61 - QD2 LEU 68 far 0 81 0 - 7.2-18.1 HG LEU 64 - QD1 LEU 68 far 0 73 0 - 7.3-14.3 HG LEU 68 - QD2 LEU 64 far 0 83 0 - 7.7-14.9 HB3 LEU 43 - QD1 LEU 68 far 0 96 0 - 7.8-30.5 HG2 ARG 61 - QD1 LEU 68 far 0 85 0 - 8.0-18.9 HG LEU 64 - QD2 LEU 68 far 0 71 0 - 8.0-14.4 HG3 ARG 61 - QD1 LEU 68 far 0 83 0 - 8.3-19.2 HB3 LEU 64 - QD2 LEU 68 far 0 99 0 - 8.3-13.2 HB3 GLN 15 - QD1 LEU 68 far 0 87 0 - 8.4-29.9 HB3 LEU 68 - QD2 LEU 64 far 0 69 0 - 8.5-14.3 HB2 LEU 41 - QD1 LEU 68 far 0 100 0 - 8.7-30.3 HB3 GLN 15 - QD2 LEU 68 far 0 85 0 - 8.7-30.9 HB2 LEU 68 - QD2 LEU 64 far 0 60 0 - 8.8-13.5 HG3 ARG 21 - QD2 LEU 68 far 0 95 0 - 9.0-27.8 HB3 LEU 43 - QD2 LEU 68 far 0 94 0 - 9.3-31.8 HB3 GLN 15 - QD2 LEU 64 far 0 66 0 - 9.6-29.7 Violated in 0 structures by 0.00 A. 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 15 assignments used, quality = 1.00: * HA LEU 68 + QD2 LEU 68 OK 88 100 100 88 2.1-3.9 3.9=72, 3302/2.1=22...(7) HA LEU 68 + QD1 LEU 68 OK 87 99 100 88 2.0-4.1 3.9=72, 3302/2.1=22...(7) HA LEU 64 + QD2 LEU 64 OK 77 82 100 94 2.0-3.9 3.9=73, 3203/2.1=23...(12) HA ASN 54 - QD2 LEU 68 far 15 99 15 - 4.3-22.6 HA ASN 54 - QD1 LEU 68 far 5 97 5 - 4.6-21.3 HA HIS 13 - QD1 LEU 68 far 0 94 0 - 5.2-29.7 HA ASN 54 - QD2 LEU 64 far 0 85 0 - 5.4-19.1 HA HIS 13 - QD2 LEU 64 far 0 81 0 - 5.8-28.7 HA LEU 64 - QD2 LEU 68 far 0 97 0 - 6.5-12.8 HA LEU 64 - QD1 LEU 68 far 0 95 0 - 6.5-13.2 HA HIS 13 - QD2 LEU 68 far 0 96 0 - 6.5-30.5 HB2 SER 12 - QD1 LEU 68 far 0 95 0 - 9.1-31.7 HA LEU 68 - QD2 LEU 64 far 0 89 0 - 9.3-13.9 HA LEU 41 - QD1 LEU 68 far 0 74 0 - 9.7-31.8 HB2 SER 12 - QD2 LEU 64 far 0 82 0 - 9.8-32.0 Violated in 0 structures by 0.00 A. Peak 3334 from cnoeabs.peaks (1.64, 0.86, 23.15 ppm; 3.33 A): 9 out of 22 assignments used, quality = 1.00: * HB2 LEU 68 + QD2 LEU 68 OK 100 100 100 100 2.1-3.2 3.1=100 HB3 LEU 68 + QD2 LEU 68 OK 100 100 100 100 2.0-3.2 3.1=100 HB2 LEU 68 + QD1 LEU 68 OK 99 99 100 100 2.0-3.2 3.1=100 HB3 LEU 68 + QD1 LEU 68 OK 99 99 100 100 2.1-3.2 3.1=100 HG LEU 64 + QD2 LEU 64 OK 88 88 100 100 2.1-2.1 2.1=100 HG LEU 68 + QD2 LEU 68 OK 81 81 100 100 2.1-2.1 2.1=100 HG LEU 68 + QD1 LEU 68 OK 79 79 100 100 2.1-2.1 2.1=100 HB3 LEU 64 + QD2 LEU 64 OK 70 70 100 100 2.0-3.2 3.1=100 HB2 LEU 64 + QD2 LEU 64 OK 57 57 100 100 2.2-3.2 3.1=100 HB2 LEU 64 - QD1 LEU 68 far 0 69 0 - 6.2-14.0 HB3 LEU 64 - QD1 LEU 68 far 0 83 0 - 6.7-14.2 HB2 LEU 64 - QD2 LEU 68 far 0 71 0 - 7.2-13.4 HG LEU 64 - QD1 LEU 68 far 0 99 0 - 7.3-14.3 HG LEU 68 - QD2 LEU 64 far 0 66 0 - 7.7-14.9 HG LEU 64 - QD2 LEU 68 far 0 100 0 - 8.0-14.4 HB3 LEU 64 - QD2 LEU 68 far 0 85 0 - 8.3-13.2 HB3 GLN 15 - QD1 LEU 68 far 0 99 0 - 8.4-29.9 HB3 LEU 68 - QD2 LEU 64 far 0 87 0 - 8.5-14.3 HB2 LEU 41 - QD1 LEU 68 far 0 83 0 - 8.7-30.3 HB3 GLN 15 - QD2 LEU 68 far 0 100 0 - 8.7-30.9 HB2 LEU 68 - QD2 LEU 64 far 0 89 0 - 8.8-13.5 HB3 GLN 15 - QD2 LEU 64 far 0 88 0 - 9.6-29.7 Violated in 0 structures by 0.00 A. Peak 3335 from cnoeabs.peaks (1.63, 0.86, 23.15 ppm; 3.33 A): 8 out of 23 assignments used, quality = 1.00: * HB3 LEU 68 + QD2 LEU 68 OK 100 100 100 100 2.0-3.2 3.1=100 HB2 LEU 68 + QD2 LEU 68 OK 100 100 100 100 2.1-3.2 3.1=100 HB3 LEU 68 + QD1 LEU 68 OK 99 99 100 100 2.1-3.2 3.1=100 HB2 LEU 68 + QD1 LEU 68 OK 99 99 100 100 2.0-3.2 3.1=100 HG LEU 68 + QD2 LEU 68 OK 90 90 100 100 2.1-2.1 2.1=100 HG LEU 68 + QD1 LEU 68 OK 89 89 100 100 2.1-2.1 2.1=100 HG LEU 64 + QD2 LEU 64 OK 85 85 100 100 2.1-2.1 2.1=100 HB3 LEU 64 + QD2 LEU 64 OK 78 78 100 100 2.0-3.2 3.1=100 HB3 LEU 64 - QD1 LEU 68 far 0 92 0 - 6.7-14.2 HG3 ARG 21 - QD2 LEU 64 far 0 52 0 - 6.7-27.5 HG LEU 64 - QD1 LEU 68 far 0 97 0 - 7.3-14.3 HG LEU 68 - QD2 LEU 64 far 0 75 0 - 7.7-14.9 HB3 LEU 43 - QD1 LEU 68 far 0 61 0 - 7.8-30.5 HG LEU 64 - QD2 LEU 68 far 0 99 0 - 8.0-14.4 HB3 LEU 64 - QD2 LEU 68 far 0 93 0 - 8.3-13.2 HB3 GLN 15 - QD1 LEU 68 far 0 99 0 - 8.4-29.9 HB3 LEU 68 - QD2 LEU 64 far 0 89 0 - 8.5-14.3 HB2 LEU 41 - QD1 LEU 68 far 0 92 0 - 8.7-30.3 HB3 GLN 15 - QD2 LEU 68 far 0 100 0 - 8.7-30.9 HB2 LEU 68 - QD2 LEU 64 far 0 87 0 - 8.8-13.5 HG3 ARG 21 - QD2 LEU 68 far 0 65 0 - 9.0-27.8 HB3 LEU 43 - QD2 LEU 68 far 0 63 0 - 9.3-31.8 HB3 GLN 15 - QD2 LEU 64 far 0 89 0 - 9.6-29.7 Violated in 0 structures by 0.00 A. Peak 3336 from cnoeabs.peaks (1.61, 0.86, 23.15 ppm; 3.60 A): 8 out of 29 assignments used, quality = 1.00: * HG LEU 68 + QD2 LEU 68 OK 100 100 100 100 2.1-2.1 2.1=100 HG LEU 68 + QD1 LEU 68 OK 99 99 100 100 2.1-2.1 2.1=100 HB3 LEU 68 + QD2 LEU 68 OK 90 90 100 100 2.0-3.2 3.1=100 HB3 LEU 64 + QD2 LEU 64 OK 89 89 100 100 2.0-3.2 3.1=100 HB3 LEU 68 + QD1 LEU 68 OK 89 89 100 100 2.1-3.2 3.1=100 HB2 LEU 68 + QD2 LEU 68 OK 81 81 100 100 2.1-3.2 3.1=100 HB2 LEU 68 + QD1 LEU 68 OK 79 79 100 100 2.0-3.2 3.1=100 HG LEU 64 + QD2 LEU 64 OK 59 59 100 100 2.1-2.1 2.1=100 HG2 ARG 61 - QD2 LEU 68 far 0 85 0 - 5.8-17.8 HG3 ARG 61 - QD2 LEU 64 far 0 68 0 - 6.3-13.1 HB3 LEU 64 - QD1 LEU 68 far 0 99 0 - 6.7-14.2 HG3 ARG 21 - QD2 LEU 64 far 0 82 0 - 6.7-27.5 HG2 ARG 61 - QD2 LEU 64 far 0 70 0 - 7.1-13.6 HG3 ARG 61 - QD2 LEU 68 far 0 83 0 - 7.2-18.1 HG LEU 64 - QD1 LEU 68 far 0 71 0 - 7.3-14.3 HG LEU 68 - QD2 LEU 64 far 0 89 0 - 7.7-14.9 HB3 LEU 43 - QD1 LEU 68 far 0 94 0 - 7.8-30.5 HG2 ARG 61 - QD1 LEU 68 far 0 83 0 - 8.0-18.9 HG LEU 64 - QD2 LEU 68 far 0 73 0 - 8.0-14.4 HG3 ARG 61 - QD1 LEU 68 far 0 81 0 - 8.3-19.2 HB3 LEU 64 - QD2 LEU 68 far 0 100 0 - 8.3-13.2 HB3 GLN 15 - QD1 LEU 68 far 0 85 0 - 8.4-29.9 HB3 LEU 68 - QD2 LEU 64 far 0 75 0 - 8.5-14.3 HB2 LEU 41 - QD1 LEU 68 far 0 99 0 - 8.7-30.3 HB3 GLN 15 - QD2 LEU 68 far 0 87 0 - 8.7-30.9 HB2 LEU 68 - QD2 LEU 64 far 0 66 0 - 8.8-13.5 HG3 ARG 21 - QD2 LEU 68 far 0 97 0 - 9.0-27.8 HB3 LEU 43 - QD2 LEU 68 far 0 96 0 - 9.3-31.8 HB3 GLN 15 - QD2 LEU 64 far 0 72 0 - 9.6-29.7 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 H GLY 69 + HA3 GLY 69 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.3-3.0 3.0=100 H GLY 69 + HA2 GLY 69 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 3349 from cnoeabs.peaks (9.36, 4.66, 55.35 ppm; 3.40 A): 1 out of 1 assignment used, quality = 1.00: * H SER 12 + HA MET 11 OK 100 100 100 100 2.2-3.6 7=99, 8/3.0=41...(6) Violated in 6 structures by 0.05 A. Peak 3350 from cnoeabs.peaks (9.36, 2.00, 34.98 ppm; 4.13 A): 1 out of 1 assignment used, quality = 1.00: * H SER 12 + HB2 MET 11 OK 100 100 100 100 1.9-4.1 8=100, 3349/3.0=73...(9) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.0-4.2 4.3=100 Violated in 0 structures by 0.00 A. Peak 3353 from cnoeabs.peaks (7.92, 4.38, 59.74 ppm; 4.67 A): 1 out of 2 assignments used, quality = 1.00: * H THR 14 + HA HIS 13 OK 100 100 100 100 3.5-3.6 3.6=100 H GLY 69 - HA HIS 13 far 0 89 0 - 9.9-39.7 Violated in 0 structures by 0.00 A. Peak 3354 from cnoeabs.peaks (7.92, 3.21, 29.61 ppm; 4.47 A): 1 out of 1 assignment used, quality = 1.00: * H THR 14 + HB2 HIS 13 OK 100 100 100 100 2.1-3.7 12=100, 13/1.8=89, 4741/1120=10 Violated in 0 structures by 0.00 A. Peak 3355 from cnoeabs.peaks (7.92, 3.27, 29.61 ppm; 4.46 A): 1 out of 1 assignment used, quality = 1.00: * H THR 14 + HB3 HIS 13 OK 100 100 100 100 3.4-4.0 13=100, 12/1.8=94 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.4-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 3358 from cnoeabs.peaks (7.51, 4.04, 68.52 ppm; 3.90 A): 1 out of 2 assignments used, quality = 0.98: * H GLN 15 + HB THR 14 OK 98 100 100 98 2.4-3.2 17=90, 866/504=58...(7) HE22 GLN 53 - HB THR 46 far 0 50 0 - 9.7-13.8 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.2-4.1 4.0=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 3361 from cnoeabs.peaks (7.83, 2.50, 28.07 ppm; 4.41 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 16 + HB2 GLN 15 OK 100 100 100 100 2.5-4.2 22/1.8=86, 4.7=86...(14) Violated in 0 structures by 0.00 A. Peak 3362 from cnoeabs.peaks (7.83, 1.63, 28.07 ppm; 4.56 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 16 + HB3 GLN 15 OK 100 100 100 100 2.1-4.2 22=100, 3361/1.8=82...(8) Violated in 0 structures by 0.00 A. Peak 3363 from cnoeabs.peaks (7.83, 2.30, 35.21 ppm; 4.30 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 16 + HG2 GLN 15 OK 100 100 100 100 3.2-4.6 3364/1.8=79, 22/3.0=66...(9) Violated in 8 structures by 0.06 A. Peak 3364 from cnoeabs.peaks (7.83, 2.48, 35.21 ppm; 4.22 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 16 + HG3 GLN 15 OK 100 100 100 100 2.3-4.5 3363/1.8=75, 22/3.0=64...(12) Violated in 3 structures by 0.02 A. Peak 3365 from cnoeabs.peaks (8.01, 3.23, 67.30 ppm; 4.04 A): 2 out of 3 assignments used, quality = 1.00: * H ILE 17 + HA VAL 16 OK 100 100 100 100 3.5-3.5 3.6=100 H LEU 19 + HA VAL 16 OK 67 68 100 98 3.3-3.8 945=56, 4.7/4769=42...(11) H LYS 22 - HA VAL 16 far 0 83 0 - 7.7-8.9 Violated in 0 structures by 0.00 A. Peak 3366 from cnoeabs.peaks (8.01, 2.07, 31.49 ppm; 3.60 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 17 + HB VAL 16 OK 100 100 100 100 3.0-3.5 29=100, 868/516=57...(9) H LEU 19 - HB VAL 16 far 0 68 0 - 5.7-6.0 Violated in 0 structures by 0.00 A. Peak 3367 from cnoeabs.peaks (8.01, 1.01, 23.28 ppm; 4.42 A): 3 out of 11 assignments used, quality = 1.00: * H ILE 17 + QG2 VAL 16 OK 100 100 100 100 4.2-4.3 4.3=100 H LEU 19 + QG2 VAL 16 OK 63 68 100 92 4.6-5.1 945/3.2=37, 4.0/4767=31...(11) H GLN 53 + QG1 VAL 48 OK 20 31 90 73 5.6-6.0 4.4/4704=48, 4.6/4632=34...(5) H LEU 19 - QG1 VAL 48 far 0 28 0 - 5.9-7.5 H LYS 22 - QG1 VAL 48 far 0 36 0 - 6.0-7.3 H ASN 40 - QG1 VAL 48 far 0 48 0 - 6.7-8.0 H HIS 36 - QG1 VAL 48 far 0 36 0 - 6.7-7.6 H LYS 22 - QG2 VAL 16 far 0 83 0 - 7.8-9.3 H GLN 53 - QG2 VAL 16 far 0 73 0 - 8.8-9.6 H LYS 60 - QG2 VAL 16 far 0 65 0 - 9.3-14.6 H ILE 17 - QG1 VAL 48 far 0 51 0 - 9.3-10.8 Violated in 0 structures by 0.00 A. Peak 3368 from cnoeabs.peaks (8.01, 1.03, 21.88 ppm; 4.08 A): 2 out of 4 assignments used, quality = 1.00: * H ILE 17 + QG1 VAL 16 OK 100 100 100 100 2.2-2.5 4.3=88, 29/2.1=87...(15) H LEU 19 + QG1 VAL 16 OK 59 68 100 87 4.4-4.8 4.7/4768=35, 945/3.2=32...(8) H LYS 22 - QG1 VAL 16 far 0 83 0 - 7.5-8.6 H LYS 60 - QG1 VAL 16 far 0 65 0 - 9.2-14.5 Violated in 0 structures by 0.00 A. Peak 3369 from cnoeabs.peaks (7.55, 3.69, 64.32 ppm; 4.47 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 18 + HA ILE 17 OK 100 100 100 100 3.5-3.6 3.6=100 QE PHE 52 - HA ILE 17 far 0 76 0 - 8.1-9.3 HE21 GLN 63 - HA ILE 17 far 0 83 0 - 8.3-28.1 Violated in 0 structures by 0.00 A. Peak 3370 from cnoeabs.peaks (7.55, 1.84, 37.27 ppm; 3.73 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 18 + HB ILE 17 OK 100 100 100 100 2.3-2.6 34=73, 869/521=64...(14) QE PHE 52 - HB ILE 17 far 0 76 0 - 9.3-10.7 Violated in 0 structures by 0.00 A. Peak 3371 from cnoeabs.peaks (7.55, 0.81, 17.21 ppm; 4.05 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 18 + QG2 ILE 17 OK 100 100 100 100 3.3-3.6 35=100, 3370/2.1=78...(18) HE21 GLN 63 - QG2 ILE 17 far 0 83 0 - 6.5-25.2 QE PHE 52 - QG2 ILE 17 far 0 76 0 - 8.0-9.2 Violated in 0 structures by 0.00 A. Peak 3372 from cnoeabs.peaks (7.55, 1.08, 28.44 ppm; 4.77 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 18 + HG12 ILE 17 OK 100 100 100 100 3.9-4.8 869/523=84, 3370/3.0=82...(12) HE21 GLN 63 - HG12 ILE 17 far 0 83 0 - 9.3-30.2 Violated in 7 structures by 0.02 A. Peak 3373 from cnoeabs.peaks (7.55, 1.38, 28.44 ppm; 4.76 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 18 + HG13 ILE 17 OK 100 100 100 100 4.0-4.9 869/524=85, 3370/3.0=82...(12) HE21 GLN 63 - HG13 ILE 17 far 0 83 0 - 7.9-29.3 Violated in 11 structures by 0.04 A. Peak 3375 from cnoeabs.peaks (7.98, 4.19, 58.41 ppm; 4.41 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 19 + HA GLU 18 OK 100 100 100 100 3.5-3.6 3.6=100 H ILE 17 + HA GLU 18 OK 62 68 100 92 5.2-5.4 4.0/4087=56, 869/3.0=45...(10) Violated in 0 structures by 0.00 A. Peak 3376 from cnoeabs.peaks (7.98, 2.00, 29.57 ppm; 4.07 A): 3 out of 8 assignments used, quality = 1.00: * H LEU 19 + HB2 GLU 18 OK 99 100 100 99 2.4-3.0 4.3=86, 39/3.9=56...(11) H LEU 19 + HB3 GLU 18 OK 99 100 100 99 3.3-4.1 4.3=86, 39/3.9=56...(11) H ILE 17 + HB2 GLU 18 OK 54 68 100 79 4.5-5.2 869/3.9=32, 3375/3.0=21...(11) H LYS 60 - HB3 GLN 63 far 4 89 5 - 4.9-12.6 H ILE 17 - HB3 GLU 18 far 0 68 0 - 6.0-6.4 H ILE 17 - HB3 GLN 63 far 0 55 0 - 9.2-28.2 H LEU 19 - HB3 GLN 63 far 0 89 0 - 9.3-27.6 H HIS 36 - HB3 GLU 18 far 0 99 0 - 10.0-11.7 Violated in 0 structures by 0.00 A. Peak 3377 from cnoeabs.peaks (7.98, 2.00, 29.57 ppm; 4.07 A): 3 out of 8 assignments used, quality = 1.00: H LEU 19 + HB2 GLU 18 OK 99 100 100 99 2.4-3.0 4.3=86, 39/3.9=56...(11) * H LEU 19 + HB3 GLU 18 OK 99 100 100 99 3.3-4.1 4.3=86, 39/3.9=56...(11) H ILE 17 + HB2 GLU 18 OK 54 68 100 79 4.5-5.2 869/3.9=32, 3375/3.0=21...(11) H LYS 60 - HB3 GLN 63 far 4 89 5 - 4.9-12.6 H ILE 17 - HB3 GLU 18 far 0 68 0 - 6.0-6.4 H ILE 17 - HB3 GLN 63 far 0 55 0 - 9.2-28.2 H LEU 19 - HB3 GLN 63 far 0 89 0 - 9.3-27.6 H HIS 36 - HB3 GLU 18 far 0 99 0 - 10.0-11.7 Violated in 0 structures by 0.00 A. Peak 3378 from cnoeabs.peaks (7.98, 2.28, 35.25 ppm; 5.25 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 19 + HG2 GLU 18 OK 99 100 100 99 4.0-5.2 39/1264=81, 42/3.0=47...(6) H ILE 17 + HG2 GLU 18 OK 64 68 100 94 4.1-6.1 4.6/1264=66, 3375/3.9=27...(11) Violated in 0 structures by 0.00 A. Peak 3379 from cnoeabs.peaks (7.98, 2.41, 35.25 ppm; 5.08 A): 4 out of 4 assignments used, quality = 1.00: * H LEU 19 + HG3 GLU 18 OK 100 100 100 100 3.9-5.2 3.6/1251=81, 39/4.9=65...(11) H LEU 19 + HG3 GLU 20 OK 65 66 100 98 3.9-5.1 871/544=72, 947/57=50...(11) H ILE 17 + HG3 GLU 18 OK 65 68 100 95 4.1-6.1 4.6/531=52, 4.0/4073=33...(10) H ILE 17 + HG3 GLU 20 OK 38 38 100 100 4.2-5.8 4.3/4058=69, ~4121=52...(14) Violated in 0 structures by 0.00 A. Peak 3380 from cnoeabs.peaks (8.41, 3.64, 58.54 ppm; 4.74 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 20 + HA LEU 19 OK 100 100 100 100 3.4-3.6 3.6=100 H ALA 38 - HA LEU 19 far 0 65 0 - 7.1-8.0 Violated in 0 structures by 0.00 A. Peak 3381 from cnoeabs.peaks (8.41, 0.71, 37.72 ppm; 4.62 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 20 + HB2 LEU 19 OK 100 100 100 100 2.3-3.7 4.4=100 H LEU 64 - HB2 LEU 19 far 0 71 0 - 8.4-28.0 H ALA 38 - HB2 LEU 19 far 0 65 0 - 8.7-10.4 Violated in 0 structures by 0.00 A. Peak 3384 from cnoeabs.peaks (8.41, 0.53, 23.51 ppm; 4.97 A): 2 out of 3 assignments used, quality = 1.00: * H GLU 20 + QD2 LEU 19 OK 100 100 100 100 4.6-5.0 50=94, 3.6/1281=88...(11) H ALA 38 + QD2 LEU 19 OK 43 65 100 65 5.3-6.1 160/4374=35...(5) H LEU 64 - QD2 LEU 19 far 0 71 0 - 9.5-24.9 Violated in 0 structures by 0.00 A. Peak 3386 from cnoeabs.peaks (8.31, 4.22, 59.07 ppm; 4.50 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 21 + HA GLU 20 OK 100 100 100 100 3.5-3.6 3.6=100 H LYS 62 - HA GLU 20 far 0 97 0 - 7.7-19.2 Violated in 0 structures by 0.00 A. Peak 3387 from cnoeabs.peaks (8.31, 2.16, 28.89 ppm; 3.92 A): 2 out of 3 assignments used, quality = 1.00: * H ARG 21 + HB2 GLU 20 OK 100 100 100 100 2.4-3.9 54=100, 52/541=62...(9) H ASN 54 + HB2 GLN 53 OK 37 37 100 99 2.0-2.5 267=74, 268/1.8=68...(10) H LYS 62 - HB2 GLU 20 far 0 97 0 - 7.2-21.3 Violated in 0 structures by 0.00 A. Peak 3388 from cnoeabs.peaks (8.31, 2.04, 28.89 ppm; 4.26 A): 1 out of 4 assignments used, quality = 1.00: * H ARG 21 + HB3 GLU 20 OK 100 100 100 100 2.4-4.0 4.1=100 H LYS 62 - HB3 GLU 20 far 0 97 0 - 6.8-19.6 H LEU 43 - HB3 GLU 45 far 0 51 0 - 8.3-10.0 H LEU 43 - HB2 GLU 45 far 0 53 0 - 8.5-9.6 Violated in 0 structures by 0.00 A. Peak 3389 from cnoeabs.peaks (8.31, 2.46, 35.40 ppm; 5.22 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 21 + HG2 GLU 20 OK 100 100 100 100 2.3-4.5 56=100, 57/1.8=97...(8) H LYS 62 - HG2 GLU 20 far 5 97 5 - 5.8-20.3 Violated in 0 structures by 0.00 A. Peak 3390 from cnoeabs.peaks (8.31, 2.42, 35.40 ppm; 5.81 A): 2 out of 4 assignments used, quality = 1.00: * H ARG 21 + HG3 GLU 20 OK 100 100 100 100 2.9-4.4 57=100, 56/1.8=100...(13) H ARG 21 + HG3 GLU 18 OK 59 66 90 99 5.8-7.4 3692/3.9=88, 4134/4.9=65...(6) H LYS 62 - HG3 GLU 20 far 5 97 5 - 6.6-21.9 H LEU 43 - HG3 GLU 18 far 0 53 0 - 8.7-10.8 Violated in 0 structures by 0.00 A. Peak 3391 from cnoeabs.peaks (8.03, 4.07, 59.55 ppm; 3.92 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 22 + HA ARG 21 OK 100 100 100 100 3.5-3.6 3.6=100 H GLN 53 - HA ARG 56 far 0 93 0 - 6.8-7.7 H ILE 17 - HA ARG 21 far 0 83 0 - 8.6-9.3 Violated in 0 structures by 0.00 A. Peak 3392 from cnoeabs.peaks (8.03, 1.97, 30.19 ppm; 3.54 A): 2 out of 5 assignments used, quality = 1.00: * H LYS 22 + HB2 ARG 21 OK 98 100 100 98 2.1-2.8 4.5=50, 873/4.0=42...(15) H LYS 22 + HB3 ARG 21 OK 97 100 100 97 2.6-3.9 4.5=50, 873/4.0=42...(14) H ILE 17 - HB2 ARG 21 far 0 83 0 - 7.1-8.1 H ILE 17 - HB3 ARG 21 far 0 82 0 - 8.7-9.4 H LEU 41 - HB2 ARG 21 far 0 65 0 - 9.5-11.1 Violated in 0 structures by 0.00 A. Peak 3393 from cnoeabs.peaks (8.03, 1.97, 30.19 ppm; 3.54 A): 2 out of 5 assignments used, quality = 1.00: H LYS 22 + HB2 ARG 21 OK 97 100 100 98 2.1-2.8 4.5=50, 873/4.0=42...(15) * H LYS 22 + HB3 ARG 21 OK 97 100 100 97 2.6-3.9 4.5=50, 873/4.0=42...(14) H ILE 17 - HB2 ARG 21 far 0 82 0 - 7.1-8.1 H ILE 17 - HB3 ARG 21 far 0 83 0 - 8.7-9.4 H LEU 41 - HB2 ARG 21 far 0 64 0 - 9.5-11.1 Violated in 0 structures by 0.00 A. Peak 3394 from cnoeabs.peaks (8.03, 1.86, 27.31 ppm; 4.88 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 22 + HG2 ARG 21 OK 100 100 100 100 3.8-4.7 62=100, 3.6/1352=82...(8) H ILE 17 + HG2 ARG 21 OK 29 83 45 78 6.0-9.2 4.0/4806=59...(4) Violated in 0 structures by 0.00 A. Peak 3395 from cnoeabs.peaks (8.03, 1.60, 27.31 ppm; 4.97 A): 1 out of 4 assignments used, quality = 1.00: * H LYS 22 + HG3 ARG 21 OK 100 100 100 100 4.4-4.9 63=100, 62/1.8=92...(7) H ILE 17 - HG3 ARG 21 far 4 83 5 - 6.0-9.4 H ILE 17 - HG3 ARG 61 far 0 73 0 - 8.6-26.3 H LYS 22 - HG3 ARG 61 far 0 94 0 - 9.3-23.2 Violated in 0 structures by 0.00 A. Peak 3398 from cnoeabs.peaks (8.99, 4.35, 57.92 ppm; 4.35 A): 1 out of 2 assignments used, quality = 1.00: * H PHE 23 + HA LYS 22 OK 100 100 100 100 3.5-3.6 3.6=100 H SER 30 - HA LYS 22 far 0 90 0 - 7.8-10.0 Violated in 0 structures by 0.00 A. Peak 3399 from cnoeabs.peaks (8.99, 2.06, 30.62 ppm; 4.89 A): 1 out of 2 assignments used, quality = 1.00: * H PHE 23 + HB2 LYS 22 OK 100 100 100 100 2.9-3.9 4.3=100 H SER 30 - HB2 LYS 22 far 0 90 0 - 6.5-9.9 Violated in 0 structures by 0.00 A. Peak 3400 from cnoeabs.peaks (8.99, 2.38, 30.62 ppm; 4.67 A): 1 out of 2 assignments used, quality = 1.00: * H PHE 23 + HB3 LYS 22 OK 100 100 100 100 2.3-3.3 4.3=100 H SER 30 - HB3 LYS 22 far 0 90 0 - 6.6-9.8 Violated in 0 structures by 0.00 A. Peak 3408 from cnoeabs.peaks (8.13, 3.15, 39.32 ppm; 4.32 A): 1 out of 2 assignments used, quality = 1.00: * H SER 24 + HB2 PHE 23 OK 100 100 100 100 2.8-4.0 78=100, 79/1.8=75...(7) H LYS 27 - HB2 PHE 23 far 0 99 0 - 7.2-8.3 Violated in 0 structures by 0.00 A. Peak 3409 from cnoeabs.peaks (8.13, 3.08, 39.32 ppm; 4.50 A): 1 out of 2 assignments used, quality = 1.00: * H SER 24 + HB3 PHE 23 OK 100 100 100 100 2.4-4.3 79=100, 78/1.8=89...(7) H LYS 27 - HB3 PHE 23 far 0 99 0 - 7.1-8.1 Violated in 0 structures by 0.00 A. Peak 3412 from cnoeabs.peaks (7.63, 4.08, 61.10 ppm; 4.78 A): 1 out of 2 assignments used, quality = 1.00: * H HIS 25 + HA SER 24 OK 100 100 100 100 3.4-3.6 3.6=100 HE22 GLN 26 - HA SER 24 far 0 97 0 - 7.7-10.2 Violated in 0 structures by 0.00 A. Peak 3413 from cnoeabs.peaks (7.63, 3.97, 63.03 ppm; 4.42 A): 2 out of 4 assignments used, quality = 1.00: * H HIS 25 + HB2 SER 24 OK 100 100 100 100 2.9-4.3 4.4=100 H HIS 25 + HB3 SER 24 OK 100 100 100 100 2.4-4.1 4.4=100 HE22 GLN 26 - HB3 SER 24 far 0 97 0 - 7.5-10.9 HE22 GLN 26 - HB2 SER 24 far 0 97 0 - 8.6-11.7 Violated in 0 structures by 0.00 A. Peak 3414 from cnoeabs.peaks (7.63, 3.97, 63.03 ppm; 4.42 A): 2 out of 4 assignments used, quality = 1.00: * H HIS 25 + HB3 SER 24 OK 100 100 100 100 2.4-4.1 4.4=100 H HIS 25 + HB2 SER 24 OK 100 100 100 100 2.9-4.3 4.4=100 HE22 GLN 26 - HB3 SER 24 far 0 97 0 - 7.5-10.9 HE22 GLN 26 - HB2 SER 24 far 0 97 0 - 8.6-11.7 Violated in 0 structures by 0.00 A. Peak 3415 from cnoeabs.peaks (8.51, 4.70, 56.95 ppm; 5.57 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 26 + HA HIS 25 OK 100 100 100 100 3.4-3.6 3.6=100 H LEU 29 - HA HIS 25 far 0 100 0 - 9.2-10.9 Violated in 0 structures by 0.00 A. Peak 3416 from cnoeabs.peaks (8.51, 3.37, 31.20 ppm; 4.22 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 26 + HB2 HIS 25 OK 100 100 100 100 2.7-4.1 4.2=100 H LEU 29 - HB2 HIS 25 far 0 100 0 - 7.0-9.4 Violated in 0 structures by 0.00 A. Peak 3417 from cnoeabs.peaks (8.51, 3.31, 31.20 ppm; 4.32 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 26 + HB3 HIS 25 OK 100 100 100 100 2.6-4.0 4.2=100 H LEU 29 - HB3 HIS 25 far 0 100 0 - 7.3-9.6 Violated in 0 structures by 0.00 A. Peak 3419 from cnoeabs.peaks (8.12, 4.49, 55.44 ppm; 3.38 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 27 + HA GLN 26 OK 100 100 100 100 2.3-2.4 92=100, 879/4213=32...(7) H SER 24 - HA GLN 26 far 0 99 0 - 6.4-6.7 H LEU 68 - HA GLN 26 far 0 78 0 - 8.8-28.3 Violated in 0 structures by 0.00 A. Peak 3420 from cnoeabs.peaks (8.12, 2.02, 31.80 ppm; 4.36 A): 2 out of 6 assignments used, quality = 1.00: * H LYS 27 + HB2 GLN 26 OK 100 100 100 100 2.5-4.2 92/3.0=88, 4.7=83...(7) H LYS 27 + HB3 GLN 26 OK 100 100 100 100 2.8-4.1 92/3.0=88, 4.7=83...(7) H LYS 27 - HB3 ARG 56 far 4 72 5 - 5.6-11.1 H SER 24 - HB2 GLN 26 far 0 99 0 - 6.4-8.4 H SER 24 - HB3 GLN 26 far 0 99 0 - 7.2-7.8 H SER 24 - HB3 ARG 56 far 0 70 0 - 8.8-11.8 Violated in 0 structures by 0.00 A. Peak 3421 from cnoeabs.peaks (8.12, 2.02, 31.80 ppm; 4.36 A): 2 out of 6 assignments used, quality = 1.00: H LYS 27 + HB2 GLN 26 OK 100 100 100 100 2.5-4.2 92/3.0=88, 4.7=83...(7) * H LYS 27 + HB3 GLN 26 OK 100 100 100 100 2.8-4.1 92/3.0=88, 4.7=83...(7) H LYS 27 - HB3 ARG 56 far 4 72 5 - 5.6-11.1 H SER 24 - HB2 GLN 26 far 0 99 0 - 6.4-8.4 H SER 24 - HB3 GLN 26 far 0 99 0 - 7.2-7.8 H SER 24 - HB3 ARG 56 far 0 70 0 - 8.8-11.8 Violated in 0 structures by 0.00 A. Peak 3422 from cnoeabs.peaks (8.12, 2.29, 34.10 ppm; 4.72 A): 2 out of 6 assignments used, quality = 1.00: * H LYS 27 + HG2 GLN 26 OK 100 100 100 100 3.0-4.6 4.9=89, 92/3.9=81...(9) H LYS 27 + HG3 GLN 26 OK 100 100 100 100 3.2-4.6 4.9=89, 92/3.9=81...(9) H SER 24 - HG2 GLN 26 poor 13 99 40 33 5.9-8.8 878/4.9=22, 876/1587=12 H SER 24 - HG3 GLN 26 far 0 99 0 - 7.2-8.2 H LEU 68 - HG2 GLN 26 far 0 78 0 - 9.3-30.4 H LEU 68 - HG3 GLN 26 far 0 78 0 - 9.7-30.7 Violated in 0 structures by 0.00 A. Peak 3423 from cnoeabs.peaks (8.12, 2.29, 34.10 ppm; 4.72 A): 2 out of 6 assignments used, quality = 1.00: * H LYS 27 + HG3 GLN 26 OK 100 100 100 100 3.2-4.6 4.9=89, 92/3.9=81...(9) H LYS 27 + HG2 GLN 26 OK 100 100 100 100 3.0-4.6 4.9=89, 92/3.9=81...(9) H SER 24 - HG2 GLN 26 poor 13 99 40 33 5.9-8.8 878/4.9=22, 876/1587=12 H SER 24 - HG3 GLN 26 far 0 99 0 - 7.2-8.2 H LEU 68 - HG2 GLN 26 far 0 78 0 - 9.3-30.4 H LEU 68 - HG3 GLN 26 far 0 78 0 - 9.7-30.7 Violated in 0 structures by 0.00 A. Peak 3424 from cnoeabs.peaks (7.50, 3.90, 56.76 ppm; 3.93 A): 2 out of 3 assignments used, quality = 1.00: * H TYR 28 + HA LYS 27 OK 100 100 100 100 3.4-3.6 3.6=100 QE PHE 52 + HA LYS 27 OK 58 68 100 85 3.9-5.3 4702=53, 2.2/4200=43...(5) HE22 GLN 53 - HA LYS 27 far 0 100 0 - 9.0-15.0 Violated in 0 structures by 0.00 A. Peak 3425 from cnoeabs.peaks (7.50, 1.42, 32.95 ppm; 4.89 A): 1 out of 4 assignments used, quality = 1.00: * H TYR 28 + HB2 LYS 27 OK 100 100 100 100 3.4-4.2 4.1=100 QE PHE 52 - HB2 LYS 27 poor 17 68 35 71 5.8-7.2 4702/3.0=49, ~4200=39 HE22 GLN 53 - HB2 LYS 27 far 0 100 0 - 7.2-14.4 HE21 GLN 63 - HB2 LYS 27 far 0 60 0 - 8.2-25.6 Violated in 0 structures by 0.00 A. Peak 3426 from cnoeabs.peaks (7.50, 1.56, 32.95 ppm; 4.65 A): 1 out of 4 assignments used, quality = 1.00: * H TYR 28 + HB3 LYS 27 OK 100 100 100 100 2.0-3.1 4.1=100 QE PHE 52 - HB3 LYS 27 far 3 68 5 - 6.1-7.5 HE22 GLN 53 - HB3 LYS 27 far 0 100 0 - 7.7-15.9 HE21 GLN 63 - HB3 LYS 27 far 0 60 0 - 9.0-27.4 Violated in 0 structures by 0.00 A. Peak 3433 from cnoeabs.peaks (8.50, 4.72, 56.38 ppm; 4.07 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 29 + HA TYR 28 OK 100 100 100 100 2.1-2.2 3.6=100 H GLN 26 - HA TYR 28 far 0 100 0 - 6.4-7.7 Violated in 0 structures by 0.00 A. Peak 3434 from cnoeabs.peaks (8.50, 2.95, 41.18 ppm; 4.56 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 29 + HB2 TYR 28 OK 100 100 100 100 3.1-3.9 111=100, 110/3.0=85, 112/1.8=83 H GLN 26 - HB2 TYR 28 far 0 100 0 - 8.3-9.4 Violated in 0 structures by 0.00 A. Peak 3435 from cnoeabs.peaks (8.50, 2.72, 41.18 ppm; 4.94 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 29 + HB3 TYR 28 OK 100 100 100 100 4.0-4.4 4.7=100 H GLN 26 - HB3 TYR 28 far 0 100 0 - 7.7-8.6 Violated in 0 structures by 0.00 A. Peak 3438 from cnoeabs.peaks (8.98, 4.58, 53.06 ppm; 3.14 A): 1 out of 2 assignments used, quality = 0.95: * H SER 30 + HA LEU 29 OK 95 100 100 95 2.2-2.6 3.6=68, 117/3.0=37...(8) H PHE 23 - HA LEU 29 far 0 90 0 - 7.5-9.0 Violated in 0 structures by 0.00 A. Peak 3439 from cnoeabs.peaks (8.98, 1.24, 44.31 ppm; 4.27 A): 1 out of 2 assignments used, quality = 1.00: * H SER 30 + HB2 LEU 29 OK 100 100 100 100 2.0-3.2 117=100, 3438/3.0=81...(12) H PHE 23 - HB2 LEU 29 far 0 90 0 - 7.8-9.2 Violated in 0 structures by 0.00 A. Peak 3440 from cnoeabs.peaks (8.98, 1.46, 44.31 ppm; 4.52 A): 1 out of 2 assignments used, quality = 1.00: * H SER 30 + HB3 LEU 29 OK 100 100 100 100 3.4-4.3 4.4=100 H PHE 23 - HB3 LEU 29 far 0 90 0 - 7.3-9.3 Violated in 0 structures by 0.00 A. Peak 3443 from cnoeabs.peaks (8.98, 0.46, 23.31 ppm; 4.49 A): 2 out of 2 assignments used, quality = 1.00: * H SER 30 + QD2 LEU 29 OK 100 100 100 100 2.4-3.7 121=100, 3438/1722=81...(15) H PHE 23 + QD2 LEU 29 OK 73 90 100 80 4.1-5.5 5.0/4155=44, 5.0/4153=43...(4) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-3.6 3.6=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-3.6 4.4=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.0-3.5 4.4=100 Violated in 0 structures by 0.00 A. Peak 3447 from cnoeabs.peaks (7.21, 3.91, 50.04 ppm; 4.31 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 33 + HD2 PRO 32 OK 100 100 100 100 2.6-3.8 131=100, 3.5/1795=69...(13) Violated in 0 structures by 0.00 A. Peak 3448 from cnoeabs.peaks (7.21, 3.80, 50.04 ppm; 4.65 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 33 + HD3 PRO 32 OK 100 100 100 100 2.7-3.9 131/1.8=86, 130/2.3=77...(11) Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.5-3.6 3.5=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.9-4.1 3.6=100 Violated in 0 structures by 0.00 A. Peak 3451 from cnoeabs.peaks (7.21, 2.31, 30.88 ppm; 3.86 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 33 + HB3 PRO 32 OK 100 100 100 100 2.9-4.0 3.6=100 H GLU 33 + HB3 GLU 33 OK 94 94 100 100 2.1-3.6 4.0=90, 1843/3.0=55...(21) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.0-3.7 5.0=100 Violated in 0 structures by 0.00 A. Peak 3453 from cnoeabs.peaks (7.21, 2.10, 28.38 ppm; 4.54 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 33 + HG3 PRO 32 OK 100 100 100 100 1.9-3.9 130=100, 131/2.3=77...(12) Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 3455 from cnoeabs.peaks (8.73, 1.88, 30.88 ppm; 4.02 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 34 + HB2 GLU 33 OK 100 100 100 100 2.4-3.9 3.6/1827=67, 4.6=65...(13) Violated in 0 structures by 0.00 A. Peak 3456 from cnoeabs.peaks (8.73, 2.32, 30.88 ppm; 4.46 A): 2 out of 2 assignments used, quality = 1.00: * H ARG 34 + HB3 GLU 33 OK 100 100 100 100 2.1-3.8 4.6=89, 3455/1.8=88...(16) H ARG 34 + HB3 PRO 32 OK 86 94 95 97 5.0-6.2 133/3.6=73, 3726/2.3=55...(9) Violated in 0 structures by 0.00 A. Peak 3457 from cnoeabs.peaks (8.73, 2.32, 37.36 ppm; 5.32 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 34 + HG2 GLU 33 OK 100 100 100 100 4.1-5.2 138/1.8=96, 3455/3.0=89...(12) Violated in 0 structures by 0.00 A. Peak 3458 from cnoeabs.peaks (8.73, 2.23, 37.36 ppm; 5.01 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 34 + HG3 GLU 33 OK 100 100 100 100 4.0-4.7 138=100, 3.6/1830=85...(11) Violated in 0 structures by 0.00 A. Peak 3459 from cnoeabs.peaks (8.15, 3.79, 59.87 ppm; 4.61 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 35 + HA ARG 34 OK 100 100 100 100 3.5-3.6 3.6=100 H THR 46 - HA ARG 34 far 0 98 0 - 8.1-10.3 Violated in 0 structures by 0.00 A. Peak 3460 from cnoeabs.peaks (8.15, 1.94, 29.95 ppm; 3.88 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 35 + HB2 ARG 34 OK 100 100 100 100 2.4-2.9 141=100, 142/1.8=77...(12) H THR 46 - HB2 ARG 34 far 0 98 0 - 6.9-9.1 Violated in 0 structures by 0.00 A. Peak 3461 from cnoeabs.peaks (8.15, 1.86, 29.95 ppm; 4.16 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 35 + HB3 ARG 34 OK 100 100 100 100 3.5-3.9 142=100, 141/1.8=93...(15) H THR 46 - HB3 ARG 34 far 0 98 0 - 7.8-10.0 Violated in 0 structures by 0.00 A. Peak 3462 from cnoeabs.peaks (8.15, 1.34, 28.15 ppm; 5.28 A): 2 out of 4 assignments used, quality = 1.00: * H ALA 35 + HG2 ARG 34 OK 100 100 100 100 3.9-4.6 141/3.0=96, 142/3.0=91...(13) H THR 46 + HG2 ARG 34 OK 76 98 90 87 5.0-7.5 3.6/4511=44, 209/4510=26...(7) H SER 24 - HD3 LYS 27 poor 10 34 30 - 6.0-8.6 H ARG 61 - HD3 LYS 27 far 4 38 10 - 6.4-15.3 Violated in 0 structures by 0.00 A. Peak 3466 from cnoeabs.peaks (7.99, 3.98, 55.19 ppm; 4.39 A): 1 out of 2 assignments used, quality = 1.00: * H HIS 36 + HA ALA 35 OK 100 100 100 100 3.5-3.6 3.6=100 H ASN 40 - HA ALA 35 far 3 63 5 - 5.9-6.4 Violated in 0 structures by 0.00 A. Peak 3467 from cnoeabs.peaks (7.99, 1.49, 17.89 ppm; 3.28 A): 1 out of 2 assignments used, quality = 1.00: * H HIS 36 + QB ALA 35 OK 100 100 100 100 2.1-2.6 149=100, 147/632=57...(7) H ASN 40 - QB ALA 35 far 0 63 0 - 6.0-6.3 Violated in 0 structures by 0.00 A. Peak 3468 from cnoeabs.peaks (8.07, 4.32, 59.41 ppm; 4.19 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 37 + HA HIS 36 OK 100 100 100 100 3.5-3.6 3.6=100 H LEU 41 - HA HIS 36 far 0 97 0 - 6.6-6.9 Violated in 0 structures by 0.00 A. Peak 3469 from cnoeabs.peaks (8.07, 3.19, 30.63 ppm; 3.38 A): 2 out of 6 assignments used, quality = 0.99: * H LEU 37 + HB2 HIS 36 OK 92 100 100 92 2.7-3.6 152=51, 886/4.0=43...(10) H LEU 37 + HB3 HIS 36 OK 90 100 100 91 2.6-3.4 152=49, 886/4.0=43...(10) H LEU 41 - HB3 HIS 36 far 0 97 0 - 7.3-7.6 H LEU 41 - HB2 HIS 36 far 0 97 0 - 8.1-8.7 H GLN 47 - HB2 HIS 10 far 0 69 0 - 8.3-15.7 H ARG 55 - HB2 HIS 10 far 0 77 0 - 9.6-16.4 Violated in 0 structures by 0.00 A. Peak 3470 from cnoeabs.peaks (8.07, 3.19, 30.63 ppm; 3.38 A): 2 out of 6 assignments used, quality = 0.99: H LEU 37 + HB2 HIS 36 OK 92 100 100 92 2.7-3.6 153=51, 886/4.0=43...(10) * H LEU 37 + HB3 HIS 36 OK 91 100 100 91 2.6-3.4 153=49, 886/4.0=43...(10) H LEU 41 - HB3 HIS 36 far 0 97 0 - 7.3-7.6 H LEU 41 - HB2 HIS 36 far 0 97 0 - 8.1-8.7 H GLN 47 - HB2 HIS 10 far 0 72 0 - 8.3-15.7 H ARG 55 - HB2 HIS 10 far 0 80 0 - 9.6-16.4 Violated in 0 structures by 0.00 A. Peak 3472 from cnoeabs.peaks (8.44, 4.06, 57.84 ppm; 4.32 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 38 + HA LEU 37 OK 100 100 100 100 3.6-3.6 3.6=100 H GLU 20 - HA LEU 37 far 0 65 0 - 9.0-10.6 Violated in 0 structures by 0.00 A. Peak 3473 from cnoeabs.peaks (8.44, 1.66, 42.65 ppm; 3.86 A): 1 out of 3 assignments used, quality = 1.00: * H ALA 38 + HB2 LEU 37 OK 100 100 100 100 2.5-3.8 157=100, 158/1.8=88...(12) H GLU 20 - HB2 LEU 64 far 0 46 0 - 8.3-30.2 H GLU 20 - HB2 LEU 37 far 0 65 0 - 8.4-9.8 Violated in 0 structures by 0.00 A. Peak 3474 from cnoeabs.peaks (8.44, 1.73, 42.65 ppm; 3.85 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 38 + HB3 LEU 37 OK 100 100 100 100 2.1-2.7 158=100, 157/1.8=78...(14) H GLU 20 - HB3 LEU 37 far 0 65 0 - 8.0-10.0 Violated in 0 structures by 0.00 A. Peak 3475 from cnoeabs.peaks (8.44, 1.56, 26.77 ppm; 4.75 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 38 + HG LEU 37 OK 100 100 100 100 2.8-4.8 160/2.1=93, 158/3.0=89...(15) H GLU 20 - HG LEU 37 far 0 65 0 - 6.8-8.3 Violated in 1 structures by 0.00 A. Peak 3476 from cnoeabs.peaks (8.44, 0.92, 27.31 ppm; 5.61 A): 2 out of 2 assignments used, quality = 1.00: * H ALA 38 + QD2 LEU 37 OK 100 100 100 100 3.9-4.2 160=100, 158/3.1=98...(15) H GLU 20 + QD2 LEU 37 OK 55 65 95 88 5.0-7.5 3.6/4106=45, 4.4/4375=40...(7) Violated in 0 structures by 0.00 A. Peak 3477 from cnoeabs.peaks (8.44, 0.96, 24.23 ppm; 4.27 A): 2 out of 2 assignments used, quality = 1.00: * H ALA 38 + QD1 LEU 37 OK 100 100 100 100 2.5-4.3 160/2.1=84, 158/3.1=77...(16) H GLU 20 + QD1 LEU 37 OK 23 65 70 50 5.2-6.4 50/4378=23, 3476/2.1=15...(5) Violated in 0 structures by 0.00 A. Peak 3478 from cnoeabs.peaks (7.67, 3.61, 55.88 ppm; 4.73 A): 2 out of 3 assignments used, quality = 1.00: * H LYS 39 + HA ALA 38 OK 100 100 100 100 3.5-3.6 3.6=100 H VAL 48 + HA ALA 38 OK 71 98 100 72 4.8-5.8 3479/2.1=45, 714/4403=38...(4) HE22 GLN 47 - HA ALA 38 far 0 99 0 - 7.4-9.1 Violated in 0 structures by 0.00 A. Peak 3479 from cnoeabs.peaks (7.67, 1.34, 17.52 ppm; 3.13 A): 2 out of 3 assignments used, quality = 1.00: * H LYS 39 + QB ALA 38 OK 100 100 100 100 2.2-2.6 164=100, 888/1982=49...(9) H VAL 48 + QB ALA 38 OK 82 98 100 84 3.7-4.5 714/4405=48, 712/4409=29...(9) HE22 GLN 47 - QB ALA 38 far 0 99 0 - 6.7-8.0 Violated in 0 structures by 0.00 A. Peak 3480 from cnoeabs.peaks (8.02, 4.08, 59.02 ppm; 3.63 A): 2 out of 5 assignments used, quality = 1.00: * H ASN 40 + HA LYS 39 OK 100 100 100 100 3.5-3.5 3.6=100 H HIS 36 + HA GLU 33 OK 41 49 100 83 3.5-3.9 985=40, 4.6/978=23...(7) H HIS 36 - HA LYS 39 far 0 63 0 - 7.3-7.6 H ASN 40 - HA GLU 33 far 0 88 0 - 8.4-9.2 H LYS 22 - HA GLU 33 far 0 80 0 - 8.8-10.6 Violated in 0 structures by 0.00 A. Peak 3481 from cnoeabs.peaks (8.02, 1.92, 32.12 ppm; 3.33 A): 2 out of 4 assignments used, quality = 1.00: H ASN 40 + HB3 LYS 39 OK 98 100 100 98 3.2-3.7 4.1=53, 889/3.9=41...(13) * H ASN 40 + HB2 LYS 39 OK 97 100 100 97 4.0-4.2 4.1=53, 889/3.9=41...(12) H HIS 36 - HB3 LYS 39 far 3 62 5 - 4.8-5.1 H HIS 36 - HB2 LYS 39 far 0 63 0 - 6.5-6.8 Violated in 11 structures by 0.03 A. Peak 3482 from cnoeabs.peaks (8.02, 1.92, 32.12 ppm; 3.33 A): 2 out of 4 assignments used, quality = 1.00: * H ASN 40 + HB3 LYS 39 OK 98 100 100 98 3.2-3.7 4.1=53, 889/3.9=41...(13) H ASN 40 + HB2 LYS 39 OK 97 100 100 97 4.0-4.2 4.1=53, 889/3.9=41...(12) H HIS 36 - HB3 LYS 39 far 3 63 5 - 4.8-5.1 H HIS 36 - HB2 LYS 39 far 0 62 0 - 6.5-6.8 Violated in 11 structures by 0.03 A. Peak 3483 from cnoeabs.peaks (8.02, 1.43, 24.82 ppm; 4.85 A): 1 out of 8 assignments used, quality = 1.00: * H ASN 40 + HG2 LYS 39 OK 100 100 100 100 2.8-3.8 169=100, 3.6/1989=77...(12) H HIS 36 - HG2 LYS 39 far 0 63 0 - 6.5-7.8 H ILE 17 - HG2 LYS 62 far 0 96 0 - 7.3-26.5 H ILE 17 - HG3 LYS 62 far 0 96 0 - 8.9-28.2 H LYS 22 - HG3 LYS 62 far 0 93 0 - 9.0-26.9 H LYS 22 - HG2 LYS 62 far 0 93 0 - 9.5-25.2 H GLN 53 - HG3 LYS 60 far 0 81 0 - 9.6-17.1 H GLN 53 - HG2 LYS 60 far 0 80 0 - 9.6-17.4 Violated in 0 structures by 0.00 A. Peak 3484 from cnoeabs.peaks (8.02, 1.54, 24.82 ppm; 4.97 A): 2 out of 2 assignments used, quality = 1.00: * H ASN 40 + HG3 LYS 39 OK 100 100 100 100 2.1-2.8 5.0=99, 169/1.8=92...(14) H HIS 36 + HG3 LYS 39 OK 62 63 100 99 4.9-6.4 3.0/4368=84, ~4788=53...(12) Violated in 0 structures by 0.00 A. Peak 3485 from cnoeabs.peaks (8.02, 1.69, 28.78 ppm; 4.87 A): 5 out of 5 assignments used, quality = 1.00: * H ASN 40 + HD2 LYS 39 OK 100 100 100 100 4.5-5.5 169/3.0=75, 4852=49...(10) H ASN 40 + HD3 LYS 39 OK 100 100 100 100 4.2-5.2 169/3.0=75, 4852=49...(10) H HIS 36 + HD3 LYS 39 OK 57 63 95 96 4.4-6.4 ~4368=43, ~4788=39...(13) H HIS 36 + HD2 LYS 39 OK 54 63 90 95 4.3-7.8 ~4368=43, ~4788=39...(13) H GLN 53 + HG13 ILE 50 OK 22 54 55 75 5.9-7.1 3803/4.0=52, 1041/247=26...(5) Violated in 0 structures by 0.00 A. Peak 3486 from cnoeabs.peaks (8.02, 1.69, 28.78 ppm; 4.87 A): 5 out of 5 assignments used, quality = 1.00: H ASN 40 + HD2 LYS 39 OK 100 100 100 100 4.5-5.5 169/3.0=75, 4852=49...(10) * H ASN 40 + HD3 LYS 39 OK 100 100 100 100 4.2-5.2 169/3.0=75, 4852=49...(10) H HIS 36 + HD3 LYS 39 OK 57 63 95 96 4.4-6.4 ~4368=43, ~4788=39...(13) H HIS 36 + HD2 LYS 39 OK 54 63 90 95 4.3-7.8 ~4368=43, ~4788=39...(13) H GLN 53 + HG13 ILE 50 OK 22 54 55 75 5.9-7.1 3803/4.0=52, 1041/247=26...(5) Violated in 0 structures by 0.00 A. Peak 3489 from cnoeabs.peaks (8.06, 4.37, 55.84 ppm; 3.54 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 41 + HA ASN 40 OK 100 100 100 100 3.5-3.5 3.6=98, 890/3.0=76...(8) H LEU 37 - HA ASN 40 far 0 97 0 - 7.0-7.3 Violated in 0 structures by 0.00 A. Peak 3490 from cnoeabs.peaks (8.06, 2.76, 38.33 ppm; 3.69 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 41 + HB2 ASN 40 OK 100 100 100 100 2.9-3.2 177=90, 890/660=80...(11) H LEU 37 + HB2 ASN 40 OK 90 97 100 93 4.6-4.9 3.0/3759=58, ~3762=34...(7) H LYS 22 - HB2 ASN 40 far 0 65 0 - 7.8-9.9 Violated in 0 structures by 0.00 A. Peak 3491 from cnoeabs.peaks (8.06, 2.70, 38.33 ppm; 3.46 A): 1 out of 3 assignments used, quality = 0.99: * H LEU 41 + HB3 ASN 40 OK 99 100 100 99 3.1-3.4 890/661=66, 178=64...(9) H LEU 37 - HB3 ASN 40 far 0 97 0 - 6.2-6.4 H LYS 22 - HB3 ASN 40 far 0 65 0 - 7.6-9.9 Violated in 0 structures by 0.00 A. Peak 3492 from cnoeabs.peaks (7.90, 4.34, 54.54 ppm; 4.21 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 42 + HA LEU 41 OK 100 100 100 100 3.1-3.4 3.6=100 H THR 14 - HA LEU 41 far 0 95 0 - 8.6-10.0 Violated in 0 structures by 0.00 A. Peak 3493 from cnoeabs.peaks (7.90, 1.62, 42.54 ppm; 4.47 A): 3 out of 4 assignments used, quality = 1.00: * H LYS 42 + HB2 LEU 41 OK 100 100 100 100 3.2-4.3 183=100, 181/666=80...(8) H GLY 69 + HB3 LEU 68 OK 75 75 100 100 2.3-4.4 4.3=100 H GLY 69 + HB2 LEU 68 OK 57 57 100 100 2.1-4.5 4.3=100 H THR 14 - HB2 LEU 41 far 0 95 0 - 9.1-11.7 Violated in 0 structures by 0.00 A. Peak 3494 from cnoeabs.peaks (7.90, 1.43, 42.54 ppm; 5.06 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 42 + HB3 LEU 41 OK 100 100 100 100 3.5-4.4 4.6=100 H THR 14 - HB3 LEU 41 far 0 95 0 - 8.6-11.7 Violated in 0 structures by 0.00 A. Peak 3496 from cnoeabs.peaks (7.90, 0.75, 22.71 ppm; 5.42 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 42 + QD2 LEU 41 OK 100 100 100 100 3.9-4.2 186=100, 3.6/2098=97...(8) H THR 14 - QD2 LEU 41 far 0 95 0 - 7.2-8.9 Violated in 0 structures by 0.00 A. Peak 3498 from cnoeabs.peaks (8.33, 3.98, 57.60 ppm; 3.29 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 43 + HA LYS 42 OK 100 100 100 100 2.9-3.0 189=100, 892/672=56...(7) Violated in 0 structures by 0.00 A. 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 100 100 100 100 4.4-4.6 4.7=100 Violated in 0 structures by 0.00 A. Peak 3500 from cnoeabs.peaks (8.33, 2.15, 28.29 ppm; 3.99 A): 1 out of 1 assignment used, quality = 0.99: * H LEU 43 + HB3 LYS 42 OK 99 100 100 99 4.0-4.1 189/3.0=76, 4.7=63...(6) Violated in 18 structures by 0.05 A. Peak 3501 from cnoeabs.peaks (8.33, 1.35, 24.91 ppm; 5.02 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 43 + HG2 LYS 42 OK 100 100 100 100 4.6-6.0 189/3.9=85, 3500/2.9=85...(5) H LEU 43 + HG3 LYS 42 OK 100 100 100 100 4.9-5.8 189/3.9=85, 3500/2.9=85...(5) H LYS 62 - HG2 LYS 58 far 3 62 5 - 6.3-13.9 H SER 65 - HG2 LYS 58 far 0 64 0 - 7.9-20.0 Violated in 0 structures by 0.00 A. Peak 3502 from cnoeabs.peaks (8.33, 1.35, 24.91 ppm; 5.02 A): 2 out of 4 assignments used, quality = 1.00: H LEU 43 + HG2 LYS 42 OK 100 100 100 100 4.6-6.0 189/3.9=85, 3500/2.9=85...(5) * H LEU 43 + HG3 LYS 42 OK 100 100 100 100 4.9-5.8 189/3.9=85, 3500/2.9=85...(5) H LYS 62 - HG2 LYS 58 far 3 62 5 - 6.3-13.9 H SER 65 - HG2 LYS 58 far 0 64 0 - 7.9-20.0 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.6-2.7 3.6=100 Violated in 0 structures by 0.00 A. Peak 3508 from cnoeabs.peaks (8.84, 1.23, 47.68 ppm; 4.19 A): 1 out of 1 assignment used, quality = 1.00: * H THR 44 + HB2 LEU 43 OK 100 100 100 100 3.0-3.3 200=100, 201/1.8=92...(12) Violated in 0 structures by 0.00 A. Peak 3509 from cnoeabs.peaks (8.84, 1.60, 47.68 ppm; 3.96 A): 1 out of 1 assignment used, quality = 1.00: * H THR 44 + HB3 LEU 43 OK 100 100 100 100 1.9-2.1 201=100, 200/1.8=70...(14) Violated in 0 structures by 0.00 A. Peak 3510 from cnoeabs.peaks (8.84, 1.47, 26.44 ppm; 4.91 A): 1 out of 1 assignment used, quality = 1.00: * H THR 44 + HG LEU 43 OK 100 100 100 100 4.5-4.7 202=100, 3511/2.1=93...(9) Violated in 0 structures by 0.00 A. Peak 3511 from cnoeabs.peaks (8.84, 0.85, 24.31 ppm; 3.96 A): 1 out of 1 assignment used, quality = 1.00: * H THR 44 + QD2 LEU 43 OK 100 100 100 100 3.0-3.7 203=98, 199/2230=69...(13) Violated in 0 structures by 0.00 A. 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 100 100 100 100 4.0-4.4 4.7=100 Violated in 0 structures by 0.00 A. Peak 3513 from cnoeabs.peaks (9.24, 4.65, 60.29 ppm; 3.27 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 45 + HA THR 44 OK 100 100 100 100 2.2-2.4 206=100, 207/3.0=49...(6) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.5-3.0 4.4=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.3-4.1 4.2=100 Violated in 0 structures by 0.00 A. Peak 3516 from cnoeabs.peaks (8.14, 3.64, 61.08 ppm; 5.19 A): 2 out of 2 assignments used, quality = 1.00: * H THR 46 + HA GLU 45 OK 100 100 100 100 3.4-3.5 3.6=100 H ALA 35 + HA GLU 45 OK 80 98 90 91 5.1-7.1 4351/2304=48...(7) Violated in 0 structures by 0.00 A. Peak 3517 from cnoeabs.peaks (8.14, 2.04, 29.23 ppm; 4.67 A): 3 out of 6 assignments used, quality = 1.00: * H THR 46 + HB2 GLU 45 OK 100 100 100 100 2.9-4.3 4.6=100 H THR 46 + HB3 GLU 45 OK 100 100 100 100 3.6-4.0 4.6=100 H SER 24 + HB3 GLU 20 OK 39 56 100 69 5.0-5.9 970/3.0=50, 3713/2740=19...(5) H ALA 35 - HB3 GLU 45 far 10 98 10 - 4.9-7.5 H ALA 35 - HB2 GLU 45 far 5 98 5 - 4.2-8.2 H ARG 61 - HB3 GLU 20 far 0 31 0 - 7.3-17.8 Violated in 0 structures by 0.00 A. Peak 3518 from cnoeabs.peaks (8.14, 2.05, 29.23 ppm; 4.67 A): 3 out of 6 assignments used, quality = 1.00: * H THR 46 + HB3 GLU 45 OK 100 100 100 100 3.6-4.0 4.6=100 H THR 46 + HB2 GLU 45 OK 100 100 100 100 2.9-4.3 4.6=100 H SER 24 + HB3 GLU 20 OK 37 54 100 69 5.0-5.9 970/3.0=50, 3713/2740=19...(5) H ALA 35 - HB3 GLU 45 far 10 98 10 - 4.9-7.5 H ALA 35 - HB2 GLU 45 far 5 98 5 - 4.2-8.2 H ARG 61 - HB3 GLU 20 far 0 30 0 - 7.3-17.8 Violated in 0 structures by 0.00 A. Peak 3519 from cnoeabs.peaks (8.14, 2.40, 37.98 ppm; 5.08 A): 2 out of 2 assignments used, quality = 1.00: * H THR 46 + HG2 GLU 45 OK 100 100 100 100 2.4-5.0 209/696=81, 3.6/2298=80...(9) H ALA 35 + HG2 GLU 45 OK 93 98 95 100 4.5-7.1 3.0/4356=87, 2.9/4514=77...(12) Violated in 0 structures by 0.00 A. Peak 3520 from cnoeabs.peaks (8.14, 2.07, 37.98 ppm; 4.94 A): 2 out of 2 assignments used, quality = 1.00: * H THR 46 + HG3 GLU 45 OK 99 100 100 99 3.7-5.5 3.6/2304=78, 209/2303=67...(6) H ALA 35 + HG3 GLU 45 OK 98 98 100 100 4.1-6.2 3.0/4355=92, 632/4362=78...(14) Violated in 0 structures by 0.00 A. Peak 3521 from cnoeabs.peaks (8.05, 3.90, 66.50 ppm; 4.35 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 47 + HA THR 46 OK 100 100 100 100 3.5-3.5 3.6=100 H GLN 53 - HA THR 46 far 0 87 0 - 8.6-9.1 Violated in 0 structures by 0.00 A. Peak 3522 from cnoeabs.peaks (8.05, 4.06, 68.82 ppm; 3.75 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 47 + HB THR 46 OK 100 100 100 100 2.8-3.0 217=100, 218/2.1=70...(4) H LEU 41 - HB THR 14 far 0 50 0 - 9.0-11.5 Violated in 0 structures by 0.00 A. Peak 3523 from cnoeabs.peaks (8.05, 1.25, 21.98 ppm; 4.46 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 47 + QG2 THR 46 OK 100 100 100 100 3.4-3.8 4.3=100 H GLN 53 - QG2 THR 46 far 0 87 0 - 7.9-8.4 Violated in 0 structures by 0.00 A. Peak 3524 from cnoeabs.peaks (7.68, 3.96, 59.66 ppm; 4.22 A): 2 out of 2 assignments used, quality = 1.00: * H VAL 48 + HA GLN 47 OK 100 100 100 100 3.6-3.6 3.6=100 HE22 GLN 47 + HA GLN 47 OK 86 90 95 100 3.4-5.7 3.4/2325=69, 3.4/2326=69...(13) Violated in 0 structures by 0.00 A. Peak 3525 from cnoeabs.peaks (7.68, 2.58, 29.96 ppm; 4.33 A): 2 out of 3 assignments used, quality = 1.00: * H VAL 48 + HB2 GLN 47 OK 100 100 100 100 2.2-2.5 221=100, 222/1.8=79...(7) HE22 GLN 47 + HB2 GLN 47 OK 90 90 100 100 3.0-4.2 445=85, 3.4/2347=79...(13) H LYS 39 - HB2 GLN 47 far 0 98 0 - 8.0-9.1 Violated in 0 structures by 0.00 A. Peak 3526 from cnoeabs.peaks (7.68, 1.83, 29.96 ppm; 4.09 A): 2 out of 3 assignments used, quality = 1.00: * H VAL 48 + HB3 GLN 47 OK 100 100 100 100 3.3-3.6 222=90, 221/1.8=79...(8) HE22 GLN 47 + HB3 GLN 47 OK 90 90 100 100 1.9-3.8 4.6=71, 445/1.8=63...(14) H LYS 39 - HB3 GLN 47 far 0 98 0 - 9.6-10.7 Violated in 0 structures by 0.00 A. Peak 3527 from cnoeabs.peaks (7.68, 2.55, 35.63 ppm; 3.99 A): 2 out of 3 assignments used, quality = 1.00: * H VAL 48 + HG2 GLN 47 OK 100 100 100 100 4.0-4.3 223=98, 897/706=70...(8) HE22 GLN 47 + HG2 GLN 47 OK 90 90 100 100 3.5-4.1 3.4=100 H LYS 39 - HG2 GLN 47 far 0 98 0 - 8.5-11.0 Violated in 0 structures by 0.00 A. Peak 3528 from cnoeabs.peaks (7.68, 2.40, 35.63 ppm; 3.73 A): 2 out of 4 assignments used, quality = 1.00: * H VAL 48 + HG3 GLN 47 OK 99 100 100 99 4.3-4.9 223/1.8=66, 3.6/2326=54...(9) HE22 GLN 47 + HG3 GLN 47 OK 90 90 100 100 2.6-3.6 3.4=100 H LYS 39 - HG3 GLU 18 far 0 56 0 - 9.2-12.1 H LYS 39 - HG3 GLN 47 far 0 98 0 - 9.4-11.8 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.5-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 3530 from cnoeabs.peaks (8.54, 2.16, 32.06 ppm; 3.71 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 49 + HB VAL 48 OK 100 100 100 100 2.6-3.0 229=100, 230/2.1=63...(13) Violated in 0 structures by 0.00 A. Peak 3531 from cnoeabs.peaks (8.54, 1.00, 23.57 ppm; 4.17 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 49 + QG1 VAL 48 OK 100 100 100 100 3.4-3.6 4.1=100 H LYS 49 - QG2 VAL 16 far 0 51 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.9-4.1 4.1=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 3534 from cnoeabs.peaks (8.69, 2.13, 33.10 ppm; 3.90 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 50 + HB2 LYS 49 OK 100 100 100 100 2.1-2.7 235/1.8=73, 4.4=70...(14) Violated in 0 structures by 0.00 A. Peak 3535 from cnoeabs.peaks (8.69, 1.88, 33.10 ppm; 4.23 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 50 + HB3 LYS 49 OK 100 100 100 100 3.1-3.9 235=100, 3534/1.8=85...(9) Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.4-4.6 5.0=100 Violated in 0 structures by 0.00 A. Peak 3538 from cnoeabs.peaks (8.69, 1.70, 29.39 ppm; 4.80 A): 3 out of 3 assignments used, quality = 1.00: H ILE 50 + HD3 LYS 49 OK 100 100 100 100 2.9-5.6 3534/3.7=71, 235/3.7=70...(12) * H ILE 50 + HD2 LYS 49 OK 90 100 90 100 2.7-6.3 3534/3.7=71, 235/3.7=70...(17) H ILE 50 + HG13 ILE 50 OK 71 71 100 100 1.9-3.8 729/1.8=97, 4.9=93...(18) Violated in 0 structures by 0.00 A. Peak 3539 from cnoeabs.peaks (8.69, 1.70, 29.39 ppm; 4.80 A): 3 out of 3 assignments used, quality = 1.00: * H ILE 50 + HD3 LYS 49 OK 100 100 100 100 2.9-5.6 3534/3.7=71, 235/3.7=70...(12) H ILE 50 + HD2 LYS 49 OK 90 100 90 100 2.7-6.3 3534/3.7=71, 235/3.7=70...(17) H ILE 50 + HG13 ILE 50 OK 73 73 100 100 1.9-3.8 729/1.8=97, 4.9=93...(18) Violated in 0 structures by 0.00 A. Peak 3542 from cnoeabs.peaks (8.27, 3.77, 64.05 ppm; 4.25 A): 2 out of 2 assignments used, quality = 1.00: * H TRP 51 + HA ILE 50 OK 100 100 100 100 3.5-3.6 3.6=100 H ASN 54 + HA ILE 50 OK 59 60 100 98 3.5-4.0 4.4/3806=52, 4.4/3805=49...(12) Violated in 0 structures by 0.00 A. Peak 3543 from cnoeabs.peaks (8.27, 1.94, 37.64 ppm; 3.76 A): 1 out of 2 assignments used, quality = 1.00: * H TRP 51 + HB ILE 50 OK 100 100 100 100 2.3-2.6 244=100, 245/2.1=70...(13) H ASN 54 - HB ILE 50 poor 12 60 20 - 5.1-5.6 Violated in 0 structures by 0.00 A. Peak 3544 from cnoeabs.peaks (8.27, 0.91, 17.21 ppm; 4.18 A): 2 out of 3 assignments used, quality = 1.00: * H TRP 51 + QG2 ILE 50 OK 100 100 100 100 2.8-3.6 245=100, 244/2.1=89...(14) H ASN 54 + QG2 ILE 50 OK 58 60 100 97 3.0-3.7 5.1/4661=43, 5.1/4660=41...(12) H SER 66 - QG2 ILE 50 far 0 92 0 - 7.0-22.5 Violated in 0 structures by 0.00 A. Peak 3545 from cnoeabs.peaks (8.27, 1.29, 29.13 ppm; 5.20 A): 2 out of 2 assignments used, quality = 1.00: * H TRP 51 + HG12 ILE 50 OK 100 100 100 100 3.9-4.9 246=100, 244/3.0=95...(12) H ASN 54 + HG12 ILE 50 OK 47 60 100 79 5.5-6.6 4657/3.2=35...(5) Violated in 0 structures by 0.00 A. Peak 3546 from cnoeabs.peaks (8.27, 1.69, 29.13 ppm; 5.02 A): 2 out of 6 assignments used, quality = 1.00: * H TRP 51 + HG13 ILE 50 OK 100 100 100 100 4.0-5.0 244/3.0=93, 245/3.2=86...(11) H TRP 51 + HD2 LYS 49 OK 23 71 40 82 5.0-8.5 1031/6.2=38, 4624/3.7=23...(8) H ASN 54 - HG13 ILE 50 poor 15 60 25 - 5.7-7.0 H ASN 54 - HD2 LYS 49 poor 9 35 25 - 5.6-9.8 H TRP 51 - HD3 LYS 49 far 7 73 10 - 5.0-7.9 H ASN 54 - HD3 LYS 49 far 6 37 15 - 5.3-9.9 Violated in 0 structures by 0.00 A. Peak 3547 from cnoeabs.peaks (8.27, 0.80, 12.55 ppm; 5.19 A): 2 out of 3 assignments used, quality = 1.00: * H TRP 51 + QD1 ILE 50 OK 100 100 100 100 4.1-4.7 248=100, 244/3.2=92...(15) H ASN 54 + QD1 ILE 50 OK 53 60 100 89 4.3-6.3 4657/2491=35...(8) H SER 66 - QD1 ILE 50 far 0 92 0 - 9.1-24.6 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.6-3.6 3.6=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-2.5 4.3=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.5-3.7 4.3=100 Violated in 0 structures by 0.00 A. Peak 3556 from cnoeabs.peaks (8.03, 3.76, 63.31 ppm; 4.58 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 53 + HA PHE 52 OK 100 100 100 100 3.4-3.5 3.6=100 H LYS 22 - HA PHE 52 far 0 100 0 - 8.5-9.4 Violated in 0 structures by 0.00 A. Peak 3557 from cnoeabs.peaks (8.03, 3.27, 39.64 ppm; 4.63 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 53 + HB2 PHE 52 OK 100 100 100 100 3.0-3.8 4.5=100 H GLN 47 - HB2 PHE 52 far 0 87 0 - 8.7-10.9 H LYS 22 - HB2 PHE 52 far 0 100 0 - 9.2-10.3 Violated in 0 structures by 0.00 A. Peak 3558 from cnoeabs.peaks (8.03, 3.53, 39.64 ppm; 4.51 A): 1 out of 3 assignments used, quality = 0.99: * H GLN 53 + HB3 PHE 52 OK 99 100 100 99 2.9-3.8 4.5=99 H GLN 47 - HB3 PHE 52 far 0 87 0 - 8.8-10.7 H LYS 22 - HB3 PHE 52 far 0 100 0 - 9.0-10.5 Violated in 0 structures by 0.00 A. Peak 3561 from cnoeabs.peaks (8.29, 3.94, 59.15 ppm; 4.28 A): 1 out of 4 assignments used, quality = 1.00: * H ASN 54 + HA GLN 53 OK 100 100 100 100 3.6-3.6 3.6=100 H TRP 51 - HA GLN 53 far 0 60 0 - 6.7-6.8 H LYS 62 - HA GLN 53 far 0 99 0 - 9.3-17.1 H SER 66 - HA GLN 53 far 0 93 0 - 9.9-21.4 Violated in 0 structures by 0.00 A. Peak 3562 from cnoeabs.peaks (8.29, 2.15, 28.54 ppm; 3.84 A): 3 out of 5 assignments used, quality = 1.00: * H ASN 54 + HB2 GLN 53 OK 100 100 100 100 2.0-2.5 267=100, 268/1.8=80...(10) H TRP 51 + HB2 GLN 53 OK 46 60 100 76 4.6-5.2 3.6/3805=50, 1041/750=23...(8) H ARG 21 + HB2 GLU 20 OK 37 37 100 99 2.4-3.9 4.1=81, 55/1.8=49...(8) H LYS 62 - HB2 GLU 20 far 0 45 0 - 7.2-21.3 H SER 66 - HB2 GLU 20 far 0 40 0 - 8.9-25.3 Violated in 0 structures by 0.00 A. Peak 3563 from cnoeabs.peaks (8.29, 2.22, 28.54 ppm; 4.04 A): 1 out of 3 assignments used, quality = 1.00: * H ASN 54 + HB3 GLN 53 OK 100 100 100 100 3.4-3.8 268=100, 267/1.8=91...(9) H TRP 51 - HB3 GLN 53 far 0 60 0 - 5.9-6.8 H SER 66 - HB3 GLN 53 far 0 93 0 - 9.9-23.1 Violated in 0 structures by 0.00 A. Peak 3564 from cnoeabs.peaks (8.29, 2.44, 33.72 ppm; 4.76 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 54 + HG2 GLN 53 OK 100 100 100 100 2.4-3.8 269=100, 270/1.8=88...(10) H TRP 51 - HG2 GLN 53 far 9 60 15 - 4.4-7.2 Violated in 0 structures by 0.00 A. Peak 3565 from cnoeabs.peaks (8.29, 2.37, 33.72 ppm; 6.00 A): 4 out of 10 assignments used, quality = 1.00: * H ASN 54 + HG3 GLN 53 OK 100 100 100 100 3.2-4.3 270=100, 269/1.8=100...(10) H LYS 62 + HG3 GLN 63 OK 37 93 90 44 3.8-8.3 4.6/831=39, 912/3629=5 H TRP 51 + HG3 GLN 53 OK 26 60 50 88 5.5-7.6 3.6/4600=74, 1041/753=34...(4) H LYS 62 + HG2 GLN 63 OK 23 89 60 43 4.8-8.8 4.6/831=39, 912/3629=5 H SER 66 - HG3 GLN 63 lone 4 86 45 9 2.7-11.1 4.6/3193=3, 4.5/2656=2 H SER 66 - HG2 GLN 63 lone 3 82 40 8 2.9-12.0 4.6/3193=3, 4.5/2656=2 H ARG 21 - HG2 GLN 63 far 0 77 0 - 8.2-28.0 H ARG 21 - HG3 GLN 63 far 0 81 0 - 8.8-27.2 H SER 66 - HG3 GLN 53 far 0 93 0 - 8.8-23.0 H LYS 62 - HG3 GLN 53 far 0 99 0 - 10.0-17.9 Violated in 0 structures by 0.00 A. Peak 3566 from cnoeabs.peaks (8.07, 4.36, 55.11 ppm; 4.55 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 55 + HA ASN 54 OK 100 100 100 100 3.4-3.6 3.6=100 H ARG 55 - HA LEU 64 far 0 60 0 - 7.9-22.6 H ARG 55 - HA LEU 68 far 0 88 0 - 8.2-26.9 Violated in 0 structures by 0.00 A. Peak 3567 from cnoeabs.peaks (8.07, 2.48, 37.68 ppm; 4.38 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 55 + HB2 ASN 54 OK 100 100 100 100 2.8-4.2 275=100, 276/1.8=89...(4) Violated in 0 structures by 0.00 A. Peak 3568 from cnoeabs.peaks (8.07, 2.65, 37.68 ppm; 4.21 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 55 + HB3 ASN 54 OK 100 100 100 100 2.5-4.0 276=100, 275/1.8=77...(4) Violated in 0 structures by 0.00 A. Peak 3569 from cnoeabs.peaks (7.75, 3.43, 56.09 ppm; 5.09 A): 2 out of 3 assignments used, quality = 1.00: * H ARG 56 + HA ARG 55 OK 100 100 100 100 3.5-3.6 3.6=100 H THR 59 + HA ARG 55 OK 72 78 100 92 4.6-5.4 4.6/3841=57, 4.6/1066=55...(4) QD PHE 52 - HA ARG 55 far 0 100 0 - 7.3-7.8 Violated in 0 structures by 0.00 A. Peak 3570 from cnoeabs.peaks (7.75, 0.65, 28.41 ppm; 5.32 A): 3 out of 3 assignments used, quality = 1.00: * H ARG 56 + HB2 ARG 55 OK 100 100 100 100 2.1-3.9 4.7=100 QD PHE 52 + HB2 ARG 55 OK 96 100 100 96 4.7-6.5 3.7/3818=79...(6) H THR 59 + HB2 ARG 55 OK 26 78 85 40 5.5-7.0 3569/3.0=30, 4177/4835=11 Violated in 0 structures by 0.00 A. Peak 3576 from cnoeabs.peaks (7.56, 4.08, 59.51 ppm; 4.21 A): 1 out of 2 assignments used, quality = 1.00: * H TYR 57 + HA ARG 56 OK 100 100 100 100 3.4-3.6 3.6=100 H GLU 18 - HA ARG 21 far 0 86 0 - 7.3-7.7 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.7-4.1 4.6=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.7-4.1 4.6=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.5-3.0 4.7=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.8-4.2 4.7=100 Violated in 0 structures by 0.00 A. Peak 3588 from cnoeabs.peaks (7.72, 4.11, 57.48 ppm; 3.69 A): 1 out of 2 assignments used, quality = 1.00: * H THR 59 + HA LYS 58 OK 100 100 100 100 3.3-3.6 3.6=100 H ARG 56 - HA LYS 58 far 0 78 0 - 6.8-7.5 Violated in 0 structures by 0.00 A. Peak 3589 from cnoeabs.peaks (7.72, 1.80, 32.42 ppm; 5.05 A): 1 out of 2 assignments used, quality = 1.00: * H THR 59 + HB2 LYS 58 OK 100 100 100 100 2.6-4.3 4.6=100 H ARG 56 - HB2 LYS 58 far 8 78 10 - 6.0-8.0 Violated in 0 structures by 0.00 A. Peak 3590 from cnoeabs.peaks (7.72, 1.73, 32.42 ppm; 4.70 A): 2 out of 2 assignments used, quality = 1.00: * H THR 59 + HB3 LYS 58 OK 100 100 100 100 2.1-4.2 4.6=100 H ARG 56 + HB3 LYS 58 OK 53 78 75 90 5.2-6.4 3.6/3841=61, 1059/787=41...(7) Violated in 0 structures by 0.00 A. Peak 3591 from cnoeabs.peaks (7.72, 1.36, 24.85 ppm; 5.35 A): 1 out of 3 assignments used, quality = 1.00: * H THR 59 + HG2 LYS 58 OK 100 100 100 100 2.8-5.5 305=98, 3.6/2827=86...(7) H ARG 56 - HG2 LYS 58 far 12 78 15 - 5.1-8.6 QD PHE 52 - HG2 LYS 58 far 0 78 0 - 9.8-13.4 Violated in 1 structures by 0.01 A. Peak 3592 from cnoeabs.peaks (7.72, 1.45, 24.85 ppm; 5.28 A): 2 out of 3 assignments used, quality = 1.00: * H THR 59 + HG3 LYS 58 OK 100 100 100 100 3.8-5.6 3.6/2864=82, 3591/1.8=80...(6) H ARG 56 + HG3 LYS 58 OK 24 78 45 69 4.6-8.3 1059/789=44, 3590/2.8=28...(4) QD PHE 52 - HG3 LYS 58 far 0 78 0 - 9.3-13.1 Violated in 3 structures by 0.02 A. 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 100 100 100 100 2.3-3.2 3.6=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.1-4.6 4.7=100 Violated in 0 structures by 0.00 A. Peak 3600 from cnoeabs.peaks (8.17, 4.26, 56.50 ppm; 3.83 A): 2 out of 3 assignments used, quality = 1.00: * H ARG 61 + HA LYS 60 OK 100 100 100 100 2.2-3.6 3.6=100 H ARG 61 + HA LYS 62 OK 40 98 60 67 4.6-5.8 ~3609=16, 3602/3.0=13...(12) H LEU 68 - HA LYS 60 far 0 57 0 - 8.7-20.9 Violated in 0 structures by 0.00 A. Peak 3601 from cnoeabs.peaks (8.17, 1.83, 32.76 ppm; 5.16 A): 2 out of 4 assignments used, quality = 1.00: * H ARG 61 + HB2 LYS 60 OK 100 100 100 100 2.1-4.4 4.4=100 H ARG 61 + HB2 LYS 62 OK 50 96 70 74 4.2-7.7 4.6/818=33, 3602/1.8=30...(12) H LEU 68 - HB2 LYS 62 far 0 52 0 - 8.3-18.0 H LEU 68 - HB2 LYS 60 far 0 57 0 - 9.7-23.1 Violated in 0 structures by 0.00 A. Peak 3602 from cnoeabs.peaks (8.17, 1.78, 32.76 ppm; 5.02 A): 2 out of 4 assignments used, quality = 1.00: * H ARG 61 + HB3 LYS 60 OK 100 100 100 100 2.1-4.1 4.4=100 H ARG 61 + HB3 LYS 62 OK 54 99 65 84 4.3-7.3 4.6/819=58, 3601/1.8=26...(12) H LEU 68 - HB3 LYS 62 far 0 55 0 - 8.1-17.4 H LEU 68 - HB3 LYS 60 far 0 57 0 - 9.6-22.4 Violated in 0 structures by 0.00 A. Peak 3609 from cnoeabs.peaks (8.30, 4.24, 56.37 ppm; 3.49 A): 2 out of 7 assignments used, quality = 1.00: * H LYS 62 + HA ARG 61 OK 99 100 100 99 2.1-3.6 3.6=94, 328/3.0=51...(13) H LYS 62 + HA LYS 62 OK 62 62 100 100 2.8-2.9 2.9=100 H SER 66 - HA LYS 62 far 0 43 0 - 7.0-10.5 H ARG 21 - HA LYS 62 far 0 57 0 - 7.2-23.6 H SER 66 - HA ARG 61 far 0 81 0 - 8.3-14.0 H ARG 21 - HA ARG 61 far 0 97 0 - 8.4-21.2 H ASN 54 - HA LYS 62 far 0 60 0 - 9.0-19.3 Violated in 0 structures by 0.00 A. Peak 3612 from cnoeabs.peaks (8.30, 1.60, 27.31 ppm; 4.66 A): 3 out of 8 assignments used, quality = 1.00: * H LYS 62 + HG2 ARG 61 OK 100 100 100 100 2.0-5.3 328/2.9=83, 5.0=82...(13) H LYS 62 + HG3 ARG 61 OK 100 100 100 100 2.1-5.5 328/2.9=83, 5.0=82...(12) H ARG 21 + HG3 ARG 21 OK 91 91 100 100 2.7-4.3 4.7=97, 549/1.8=92...(15) H SER 66 - HG2 ARG 61 far 0 81 0 - 6.3-15.6 H SER 66 - HG3 ARG 61 far 0 80 0 - 7.0-15.8 H ARG 21 - HG3 ARG 61 far 0 97 0 - 8.0-23.0 H LYS 62 - HG3 ARG 21 far 0 96 0 - 9.2-25.2 H ARG 21 - HG2 ARG 61 far 0 97 0 - 9.2-22.4 Violated in 0 structures by 0.00 A. Peak 3613 from cnoeabs.peaks (8.30, 1.59, 27.31 ppm; 4.66 A): 3 out of 8 assignments used, quality = 1.00: * H LYS 62 + HG3 ARG 61 OK 100 100 100 100 2.1-5.5 328/2.9=83, 5.0=82...(12) H LYS 62 + HG2 ARG 61 OK 100 100 100 100 2.0-5.3 328/2.9=83, 5.0=82...(13) H ARG 21 + HG3 ARG 21 OK 89 89 100 100 2.7-4.3 4.7=97, 549/1.8=92...(15) H SER 66 - HG2 ARG 61 far 0 80 0 - 6.3-15.6 H SER 66 - HG3 ARG 61 far 0 81 0 - 7.0-15.8 H ARG 21 - HG3 ARG 61 far 0 97 0 - 8.0-23.0 H LYS 62 - HG3 ARG 21 far 0 94 0 - 9.2-25.2 H ARG 21 - HG2 ARG 61 far 0 97 0 - 9.2-22.4 Violated in 0 structures by 0.00 A. Peak 3616 from cnoeabs.peaks (8.38, 4.26, 56.57 ppm; 3.91 A): 2 out of 12 assignments used, quality = 1.00: * H GLN 63 + HA LYS 62 OK 100 100 100 100 2.1-3.2 3.6=100 H LEU 64 + HA LYS 62 OK 25 98 40 63 3.5-6.6 4.6/334=44, 3617/3.0=15...(6) H GLN 63 - HA LYS 60 far 10 98 10 - 3.9-9.9 H SER 65 - HA LYS 62 far 8 81 10 - 5.3-8.0 H GLN 63 - HA ARG 61 far 6 62 10 - 3.6-7.0 H LEU 64 - HA ARG 61 far 0 58 0 - 6.5-10.4 H SER 65 - HA LYS 60 far 0 76 0 - 6.8-14.0 H LEU 64 - HA LYS 60 far 0 95 0 - 7.1-12.5 H SER 65 - HA ARG 61 far 0 43 0 - 7.1-12.2 H GLU 67 - HA LYS 62 far 0 73 0 - 7.8-13.7 H GLU 67 - HA ARG 61 far 0 38 0 - 7.9-16.1 H GLU 67 - HA LYS 60 far 0 69 0 - 8.6-18.0 Violated in 0 structures by 0.00 A. Peak 3617 from cnoeabs.peaks (8.38, 1.83, 32.70 ppm; 5.31 A): 2 out of 8 assignments used, quality = 1.00: * H GLN 63 + HB2 LYS 62 OK 100 100 100 100 2.1-4.2 4.3=100 H LEU 64 + HB2 LYS 62 OK 82 98 100 84 2.4-6.8 4.6/335=65, 3618/1.8=25...(6) H SER 65 - HB2 LYS 62 lone 8 81 60 17 3.8-9.1 351/4.3=9, 3618/1.8=3, 912/4.0=2 H GLN 63 - HB2 LYS 60 lone 6 96 35 18 4.0-11.2 4.6/3081=14, 3618/1.8=3 H LEU 64 - HB2 LYS 60 far 5 93 5 - 5.8-13.8 H SER 65 - HB2 LYS 60 far 4 74 5 - 6.0-15.5 H GLU 67 - HB2 LYS 62 far 4 73 5 - 6.0-15.1 H GLU 67 - HB2 LYS 60 far 0 67 0 - 8.4-18.9 Violated in 0 structures by 0.00 A. Peak 3618 from cnoeabs.peaks (8.38, 1.77, 32.70 ppm; 5.55 A): 2 out of 8 assignments used, quality = 1.00: * H GLN 63 + HB3 LYS 62 OK 100 100 100 100 2.2-4.3 4.3=100 H LEU 64 + HB3 LYS 62 OK 54 98 75 73 2.3-7.8 3617/1.8=36, 914/4.3=28...(6) H LEU 64 - HB3 LYS 60 far 14 97 15 - 5.6-13.1 H SER 65 - HB3 LYS 62 lone 7 81 45 19 3.6-8.9 351/4.3=10, 3617/1.8=4...(4) H GLN 63 - HB3 LYS 60 poor 6 99 30 20 2.8-10.6 4.6/3091=16, 3617/1.8=3 H SER 65 - HB3 LYS 60 far 4 79 5 - 4.8-14.7 H GLU 67 - HB3 LYS 62 far 4 73 5 - 4.8-14.5 H GLU 67 - HB3 LYS 60 far 0 71 0 - 8.1-18.3 Violated in 0 structures by 0.00 A. Peak 3625 from cnoeabs.peaks (8.38, 4.31, 55.97 ppm; 3.35 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 64 + HA GLN 63 OK 100 100 100 100 2.1-3.3 344=100, 914/3.0=20...(9) H GLN 63 + HA GLN 63 OK 98 98 100 100 2.3-2.9 3.0=100 H GLU 20 - HA GLN 63 far 0 71 0 - 7.4-26.5 H GLU 67 - HA GLN 63 far 0 92 0 - 7.5-12.5 Violated in 0 structures by 0.00 A. Peak 3626 from cnoeabs.peaks (8.38, 2.08, 29.35 ppm; 4.46 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 64 + HB2 GLN 63 OK 100 100 100 100 2.1-4.5 4.6=90, 344/3.0=84...(8) H GLN 63 + HB2 GLN 63 OK 98 98 100 100 2.2-4.0 3.9=100 H GLU 67 - HB2 GLN 63 far 5 92 5 - 5.3-13.8 H GLU 20 - HB2 GLN 63 far 0 71 0 - 7.8-26.0 Violated in 0 structures by 0.00 A. Peak 3627 from cnoeabs.peaks (8.38, 2.00, 29.35 ppm; 4.12 A): 3 out of 6 assignments used, quality = 1.00: * H LEU 64 + HB3 GLN 63 OK 98 100 100 98 2.4-4.6 344/3.0=75, 4.6=71...(6) H GLN 63 + HB3 GLN 63 OK 98 98 100 100 2.5-3.6 3.9=100 H GLU 20 + HB2 GLU 18 OK 41 57 100 72 4.9-5.6 871/4.3=37, 942/3.9=27...(6) H GLU 20 - HB3 GLU 18 poor 18 57 45 71 5.2-6.3 871/4.3=37, 942/3.9=27...(5) H GLU 67 - HB3 GLN 63 far 9 92 10 - 4.5-13.6 H GLU 20 - HB3 GLN 63 far 0 71 0 - 6.9-25.0 Violated in 0 structures by 0.00 A. Peak 3628 from cnoeabs.peaks (8.38, 2.36, 33.72 ppm; 4.47 A): 4 out of 11 assignments used, quality = 1.00: H GLN 63 + HG2 GLN 63 OK 93 98 100 95 2.6-5.1 829/3.0=75, 5.1=66...(4) H GLN 63 + HG3 GLN 63 OK 93 98 100 95 2.4-4.6 829/3.0=75, 5.1=66...(4) * H LEU 64 + HG2 GLN 63 OK 90 100 100 90 2.0-5.8 344/3.7=73, 3626/3.0=32...(4) H LEU 64 + HG3 GLN 63 OK 90 100 100 90 2.0-5.3 344/3.7=73, 3626/3.0=32...(5) H LEU 64 - HG3 GLN 53 far 5 92 5 - 5.8-22.1 H GLU 67 - HG2 GLN 63 far 5 92 5 - 6.0-14.4 H GLU 67 - HG3 GLN 63 far 0 91 0 - 6.2-14.3 H GLN 63 - HG3 GLN 53 far 0 88 0 - 6.5-21.1 H GLU 20 - HG2 GLN 63 far 0 71 0 - 8.0-27.2 H GLU 67 - HG3 GLN 53 far 0 80 0 - 8.5-24.2 H GLU 20 - HG3 GLN 63 far 0 70 0 - 8.7-26.6 Violated in 0 structures by 0.00 A. Peak 3629 from cnoeabs.peaks (8.38, 2.36, 33.72 ppm; 4.47 A): 4 out of 11 assignments used, quality = 1.00: H GLN 63 + HG3 GLN 63 OK 94 98 100 95 2.4-4.6 829/3.0=75, 5.1=66...(4) H GLN 63 + HG2 GLN 63 OK 93 98 100 95 2.6-5.1 829/3.0=75, 5.1=66...(4) * H LEU 64 + HG3 GLN 63 OK 90 100 100 90 2.0-5.3 344/3.7=73, 3626/3.0=32...(5) H LEU 64 + HG2 GLN 63 OK 90 100 100 90 2.0-5.8 344/3.7=73, 3626/3.0=32...(4) H LEU 64 - HG3 GLN 53 far 5 96 5 - 5.8-22.1 H GLU 67 - HG2 GLN 63 far 5 91 5 - 6.0-14.4 H GLU 67 - HG3 GLN 63 far 0 92 0 - 6.2-14.3 H GLN 63 - HG3 GLN 53 far 0 92 0 - 6.5-21.1 H GLU 20 - HG2 GLN 63 far 0 70 0 - 8.0-27.2 H GLU 67 - HG3 GLN 53 far 0 84 0 - 8.5-24.2 H GLU 20 - HG3 GLN 63 far 0 71 0 - 8.7-26.6 Violated in 0 structures by 0.00 A. Peak 3630 from cnoeabs.peaks (8.35, 4.37, 55.19 ppm; 3.93 A): 2 out of 6 assignments used, quality = 1.00: * H SER 65 + HA LEU 64 OK 100 100 100 100 2.2-3.6 3.6=100 H GLN 63 + HA LEU 64 OK 49 81 80 76 4.5-6.0 ~344=28, 914/2.9=26...(11) H SER 65 - HA LEU 68 far 0 72 0 - 6.9-12.9 H GLN 63 - HA ASN 54 far 0 41 0 - 8.5-19.7 H SER 65 - HA ASN 54 far 0 60 0 - 8.6-21.2 H GLN 63 - HA LEU 68 far 0 51 0 - 9.9-16.8 Violated in 0 structures by 0.00 A. Peak 3632 from cnoeabs.peaks (8.35, 1.62, 42.38 ppm; 4.62 A): 3 out of 7 assignments used, quality = 1.00: * H SER 65 + HB3 LEU 64 OK 100 100 100 100 2.1-4.6 4.4=100 H LEU 43 + HB2 LEU 41 OK 61 62 100 99 2.7-4.1 4434/666=58, 4.4/183=53...(13) H GLN 63 + HB3 LEU 64 OK 34 81 50 84 4.6-7.1 4.6/837=35, 3.9/4694=34...(9) H GLN 63 - HB2 LEU 68 far 0 42 0 - 7.9-17.6 H SER 65 - HB2 LEU 68 far 0 61 0 - 8.6-13.4 H SER 65 - HB3 LEU 68 far 0 80 0 - 9.1-12.8 H GLN 63 - HB3 LEU 68 far 0 58 0 - 9.3-16.8 Violated in 0 structures by 0.00 A. Peak 3634 from cnoeabs.peaks (8.35, 0.91, 25.32 ppm; 5.16 A): 2 out of 2 assignments used, quality = 0.95: * H SER 65 + QD1 LEU 64 OK 92 100 100 92 3.3-5.6 351/4.7=59, 3635/2.1=54...(5) H GLN 63 + QD1 LEU 64 OK 41 81 70 72 3.9-7.6 3635/2.1=29, 914/4.7=25...(7) Violated in 0 structures by 0.00 A. Peak 3635 from cnoeabs.peaks (8.35, 0.85, 23.25 ppm; 4.85 A): 2 out of 7 assignments used, quality = 0.95: * H SER 65 + QD2 LEU 64 OK 90 100 100 90 1.9-5.0 351/4.7=54, 3634/2.1=48...(4) H GLN 63 + QD2 LEU 64 OK 48 81 90 66 2.5-7.7 914/4.7=23, 3630/3.9=23...(7) H SER 65 - QD2 LEU 68 far 0 89 0 - 6.5-11.9 H SER 65 - QD1 LEU 68 far 0 83 0 - 7.2-11.2 H GLN 63 - QD2 LEU 68 far 0 66 0 - 7.8-13.9 H GLN 63 - QD1 LEU 68 far 0 60 0 - 9.3-15.5 H LEU 43 - QD1 LEU 68 far 0 50 0 - 9.8-31.9 Violated in 0 structures by 0.00 A. Peak 3636 from cnoeabs.peaks (8.28, 4.43, 58.54 ppm; 4.30 A): 2 out of 4 assignments used, quality = 1.00: * H SER 66 + HA SER 65 OK 100 100 100 100 2.1-3.5 3.6=100 H SER 66 + HA SER 66 OK 61 61 100 100 2.8-2.9 3.0=100 H LYS 62 - HA SER 65 far 0 81 0 - 5.9-11.4 H LYS 62 - HA SER 66 far 0 43 0 - 7.0-13.1 Violated in 0 structures by 0.00 A. Peak 3639 from cnoeabs.peaks (8.40, 4.45, 58.33 ppm; 4.15 A): 2 out of 8 assignments used, quality = 1.00: * H GLU 67 + HA SER 66 OK 100 100 100 100 2.1-3.5 3.6=100 H LEU 64 + HA SER 65 OK 32 51 100 63 4.2-5.4 351/2.9=57, 3640/3.0=12, ~4663=1 H GLU 67 - HA SER 65 poor 12 61 20 - 3.5-6.6 H GLN 63 - HA SER 66 far 4 73 5 - 5.2-10.6 H GLN 63 - HA SER 65 far 2 38 5 - 5.0-8.7 H LEU 64 - HA SER 66 far 0 92 0 - 6.3-8.0 H GLU 20 - HA SER 65 far 0 57 0 - 9.2-27.4 H GLU 20 - HA SER 66 far 0 97 0 - 9.4-26.9 Violated in 0 structures by 0.00 A. Peak 3640 from cnoeabs.peaks (8.40, 3.94, 63.84 ppm; 5.42 A): 2 out of 7 assignments used, quality = 1.00: * H GLU 67 + HB2 SER 66 OK 100 100 100 100 2.3-4.5 4.4=100 H LEU 64 + HB2 SER 65 OK 53 70 100 76 3.8-6.7 351/3.9=67, 3639/3.0=22...(4) H GLU 67 - HB2 SER 65 poor 15 82 55 33 5.1-8.1 4.7/266=14, 364=10...(4) H GLN 63 - HB2 SER 66 poor 15 73 20 - 5.9-11.5 H LEU 64 - HB2 SER 66 lone 6 92 35 18 5.4-9.3 4.7/843=15, 3639/3260=2 H GLN 63 - HB2 SER 65 lone 4 53 45 18 3.4-9.2 351/3.9=13, 5.1/2656=2 H GLU 20 - HB2 SER 66 far 0 97 0 - 8.7-25.8 Violated in 0 structures by 0.00 A. Peak 3642 from cnoeabs.peaks (8.14, 4.31, 56.58 ppm; 4.23 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 68 + HA GLU 67 OK 100 100 100 100 2.1-3.4 3.6=100 H LYS 27 - HA GLU 67 far 0 78 0 - 9.9-26.1 Violated in 0 structures by 0.00 A. Peak 3643 from cnoeabs.peaks (8.14, 2.09, 29.91 ppm; 5.43 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 68 + HB2 GLU 67 OK 100 100 100 100 3.2-4.6 4.7=100 H SER 24 - HB2 GLU 67 far 0 92 0 - 9.4-28.5 H ARG 61 - HB2 GLU 67 far 0 57 0 - 9.5-19.2 H LYS 27 - HB2 GLU 67 far 0 78 0 - 9.9-26.6 Violated in 0 structures by 0.00 A. Peak 3644 from cnoeabs.peaks (8.14, 1.96, 29.91 ppm; 4.51 A): 3 out of 4 assignments used, quality = 1.00: * H LEU 68 + HB3 GLU 67 OK 100 100 100 100 3.7-4.5 4.7=91, 367/3.0=83...(4) H SER 24 + HB2 ARG 21 OK 50 62 100 80 5.2-5.9 3713/3.0=55, 962/4.5=49 H SER 24 + HB3 ARG 21 OK 46 57 100 80 5.0-5.8 3713/3.0=55, 962/4.5=49 H LYS 27 - HB3 GLU 67 far 0 78 0 - 9.3-27.0 Violated in 0 structures by 0.00 A. Peak 3647 from cnoeabs.peaks (7.90, 4.36, 54.95 ppm; 4.17 A): 1 out of 3 assignments used, quality = 1.00: * H GLY 69 + HA LEU 68 OK 100 100 100 100 2.1-3.6 3.6=100 H GLY 69 - HA ASN 54 far 0 88 0 - 9.7-29.7 H GLY 69 - HA LEU 64 far 0 72 0 - 9.7-16.4 Violated in 0 structures by 0.00 A. Peak 3648 from cnoeabs.peaks (7.90, 1.64, 42.41 ppm; 5.21 A): 3 out of 4 assignments used, quality = 1.00: * H GLY 69 + HB2 LEU 68 OK 100 100 100 100 2.1-4.5 4.3=100 H GLY 69 + HB3 LEU 68 OK 99 99 100 100 2.3-4.4 4.3=100 H LYS 42 + HB2 LEU 41 OK 57 57 100 100 3.2-4.3 4.6=100 H THR 14 - HB2 LEU 41 far 0 45 0 - 9.1-11.7 Violated in 0 structures by 0.00 A. Peak 3649 from cnoeabs.peaks (7.90, 1.63, 42.41 ppm; 4.68 A): 3 out of 4 assignments used, quality = 1.00: * H GLY 69 + HB3 LEU 68 OK 100 100 100 100 2.3-4.4 4.3=100 H GLY 69 + HB2 LEU 68 OK 99 99 100 100 2.1-4.5 4.3=100 H LYS 42 + HB2 LEU 41 OK 75 75 100 100 3.2-4.3 4.6=100 H THR 14 - HB2 LEU 41 far 0 61 0 - 9.1-11.7 Violated in 0 structures by 0.00 A. Peak 3651 from cnoeabs.peaks (7.90, 0.86, 23.20 ppm; 4.79 A): 2 out of 6 assignments used, quality = 0.66: * H GLY 69 + QD1 LEU 68 OK 42 100 100 42 2.3-4.9 3.6/3326=28, 375/2.1=18 H GLY 69 + QD2 LEU 68 OK 42 99 100 42 2.2-4.9 3.6/3326=28, 375/2.1=18 H THR 14 - QD1 LEU 68 far 0 89 0 - 7.9-31.3 H THR 14 - QD2 LEU 64 far 0 68 0 - 8.3-31.3 H THR 14 - QD2 LEU 68 far 0 87 0 - 9.0-32.0 H GLY 69 - QD2 LEU 64 far 0 83 0 - 9.5-15.5 Violated in 0 structures by 0.00 A. Peak 3657 from cnoeabs.peaks (1.63, 4.59, 56.52 ppm; 4.59 A): 1 out of 3 assignments used, quality = 0.85: * HB3 GLN 15 + HA SER 12 OK 85 100 90 95 3.8-6.5 4014/2.9=65, ~4013=46...(8) HB2 LEU 41 - HA SER 12 far 0 90 0 - 9.1-11.2 HB2 LEU 68 - HA SER 12 far 0 100 0 - 9.1-41.7 Violated in 17 structures by 0.61 A. Peak 3661 from cnoeabs.peaks (7.83, 4.38, 59.74 ppm; 4.35 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 16 + HA HIS 13 OK 100 100 100 100 3.4-4.4 516/3662=76, 929/3.6=60...(7) Violated in 1 structures by 0.00 A. Peak 3662 from cnoeabs.peaks (2.07, 4.38, 59.74 ppm; 3.50 A): 1 out of 3 assignments used, quality = 0.97: * HB VAL 16 + HA HIS 13 OK 97 100 100 97 2.9-4.0 3663=77, 2.1/4050=48...(6) HB2 GLN 63 - HA HIS 13 far 0 100 0 - 9.7-30.4 HB2 GLU 67 - HA HIS 13 far 0 96 0 - 10.0-34.5 Violated in 5 structures by 0.05 A. Peak 3663 from cnoeabs.peaks (4.38, 2.07, 31.49 ppm; 3.82 A): 1 out of 4 assignments used, quality = 1.00: * HA HIS 13 + HB VAL 16 OK 100 100 100 100 2.9-4.0 3662=100, 4050/2.1=57...(6) HB2 SER 12 - HB VAL 16 poor 20 100 20 - 4.5-7.3 HA LEU 64 - HB VAL 16 far 0 100 0 - 8.1-30.4 HA LEU 68 - HB VAL 16 far 0 96 0 - 8.8-35.0 Violated in 1 structures by 0.01 A. Peak 3664 from cnoeabs.peaks (8.01, 4.38, 59.74 ppm; 5.36 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 17 + HA HIS 13 OK 100 100 100 100 4.5-5.3 29/3662=92, 868/3661=80...(6) H LEU 19 - HA HIS 13 far 0 68 0 - 8.0-9.0 Violated in 0 structures by 0.00 A. Peak 3666 from cnoeabs.peaks (8.01, 3.81, 65.62 ppm; 4.19 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 17 + HA THR 14 OK 100 100 100 100 3.3-3.7 521/3667=73, 523/4002=60...(10) H LEU 19 - HA THR 14 far 0 68 0 - 6.6-7.6 Violated in 0 structures by 0.00 A. Peak 3667 from cnoeabs.peaks (1.84, 3.81, 65.62 ppm; 3.54 A): 1 out of 4 assignments used, quality = 1.00: * HB ILE 17 + HA THR 14 OK 100 100 100 100 2.8-3.7 3668=67, 3.2/4004=48...(14) HG2 ARG 21 - HA THR 14 far 0 81 0 - 7.4-10.8 HB3 MET 11 - HA THR 14 far 0 100 0 - 7.9-9.5 HG LEU 41 - HA THR 14 far 0 60 0 - 8.6-11.0 Violated in 8 structures by 0.02 A. Peak 3668 from cnoeabs.peaks (3.81, 1.84, 37.27 ppm; 3.50 A): 2 out of 2 assignments used, quality = 1.00: * HA THR 14 + HB ILE 17 OK 100 100 100 100 2.8-3.7 3667=96, 4004/3.2=47...(14) HA GLN 15 + HB ILE 17 OK 50 85 90 65 4.6-5.5 3671/3370=26, 935/521=20...(7) Violated in 3 structures by 0.01 A. Peak 3669 from cnoeabs.peaks (7.55, 3.81, 65.62 ppm; 4.68 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 18 + HA THR 14 OK 100 100 100 100 4.1-5.2 3370/3667=73...(11) Violated in 15 structures by 0.27 A. Peak 3671 from cnoeabs.peaks (7.55, 3.79, 59.35 ppm; 4.35 A): 1 out of 2 assignments used, quality = 0.99: * H GLU 18 + HA GLN 15 OK 99 100 100 99 3.3-3.8 932/3.6=55, 940=54...(15) QE PHE 52 - HA GLN 15 far 0 76 0 - 8.4-10.4 Violated in 0 structures by 0.00 A. Peak 3672 from cnoeabs.peaks (2.00, 3.79, 59.35 ppm; 3.84 A): 2 out of 5 assignments used, quality = 1.00: * HB2 GLU 18 + HA GLN 15 OK 98 100 100 98 2.7-4.1 3.9/3671=40, 3.0/4096=38...(19) HB3 GLU 18 + HA GLN 15 OK 92 100 95 97 4.3-5.4 3.9/3671=40, 3.0/4096=38...(15) HB2 MET 11 - HA GLN 15 poor 20 100 20 - 4.7-7.5 HB2 ARG 21 - HA GLN 15 far 0 60 0 - 8.2-8.9 HB3 ARG 21 - HA GLN 15 far 0 68 0 - 9.8-10.5 Violated in 2 structures by 0.01 A. Peak 3673 from cnoeabs.peaks (3.79, 2.00, 29.57 ppm; 4.28 A): 2 out of 6 assignments used, quality = 1.00: * HA GLN 15 + HB2 GLU 18 OK 100 100 100 100 2.7-4.1 3672=52, 3671/3.9=50...(19) HA GLN 15 + HB3 GLU 18 OK 99 100 100 99 4.3-5.4 3671/3.9=50, 3672=48...(15) HA THR 14 - HB2 GLU 18 far 4 85 5 - 5.7-7.5 HA THR 14 - HB3 GLU 18 far 0 85 0 - 7.0-8.5 HA ARG 34 - HB3 GLU 18 far 0 100 0 - 8.5-10.9 HA ARG 34 - HB2 GLU 18 far 0 100 0 - 9.3-11.8 Violated in 0 structures by 0.00 A. Peak 3674 from cnoeabs.peaks (2.00, 3.79, 59.35 ppm; 3.84 A): 2 out of 5 assignments used, quality = 1.00: HB2 GLU 18 + HA GLN 15 OK 98 100 100 98 2.7-4.1 3.9/3671=40, 3.0/4096=38...(19) * HB3 GLU 18 + HA GLN 15 OK 92 100 95 97 4.3-5.4 3.9/3671=40, 3.0/4096=38...(15) HB2 MET 11 - HA GLN 15 poor 20 100 20 - 4.7-7.5 HB2 ARG 21 - HA GLN 15 far 0 60 0 - 8.2-8.9 HB3 ARG 21 - HA GLN 15 far 0 68 0 - 9.8-10.5 Violated in 2 structures by 0.01 A. Peak 3675 from cnoeabs.peaks (3.79, 2.00, 29.57 ppm; 4.28 A): 2 out of 6 assignments used, quality = 1.00: HA GLN 15 + HB2 GLU 18 OK 100 100 100 100 2.7-4.1 3672=52, 3671/3.9=50...(19) * HA GLN 15 + HB3 GLU 18 OK 99 100 100 99 4.3-5.4 3671/3.9=50, 3672=48...(15) HA THR 14 - HB2 GLU 18 far 4 85 5 - 5.7-7.5 HA THR 14 - HB3 GLU 18 far 0 85 0 - 7.0-8.5 HA ARG 34 - HB3 GLU 18 far 0 100 0 - 8.5-10.9 HA ARG 34 - HB2 GLU 18 far 0 100 0 - 9.3-11.8 Violated in 0 structures by 0.00 A. Peak 3676 from cnoeabs.peaks (7.98, 3.79, 59.35 ppm; 5.07 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 19 + HA GLN 15 OK 100 100 100 100 4.2-5.3 946=100, 39/3671=74...(8) H ILE 17 + HA GLN 15 OK 67 68 100 98 4.0-4.6 4.6/3671=59, 868/3.6=58...(12) Violated in 0 structures by 0.00 A. Peak 3678 from cnoeabs.peaks (7.98, 3.23, 67.30 ppm; 4.32 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 19 + HA VAL 16 OK 100 100 100 100 3.3-3.8 945=100, 538/4769=56...(11) H ILE 17 + HA VAL 16 OK 68 68 100 100 3.5-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 3679 from cnoeabs.peaks (0.71, 3.23, 67.30 ppm; 3.96 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LEU 19 + HA VAL 16 OK 100 100 100 100 2.6-4.8 3680=65, 3.1/4769=60...(16) QD1 LEU 41 + HA VAL 16 OK 84 97 100 87 3.2-5.2 4817/4769=37...(10) QD1 ILE 17 - HA VAL 16 far 10 98 10 - 5.1-6.5 Violated in 0 structures by 0.00 A. Peak 3680 from cnoeabs.peaks (3.23, 0.71, 37.72 ppm; 4.58 A): 1 out of 4 assignments used, quality = 1.00: * HA VAL 16 + HB2 LEU 19 OK 100 100 100 100 2.6-4.8 4769/3.1=76, 3681/1.8=63...(16) HD3 ARG 21 - HB2 LEU 19 far 0 98 0 - 6.9-9.6 HD2 ARG 21 - HB2 LEU 19 far 0 71 0 - 7.0-10.2 HB2 HIS 10 - HB2 LEU 19 far 0 73 0 - 8.8-14.3 Violated in 1 structures by 0.01 A. Peak 3681 from cnoeabs.peaks (-0.76, 3.23, 67.30 ppm; 5.24 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 19 + HA VAL 16 OK 100 100 100 100 2.5-4.9 1.8/3680=93, 3.1/4769=89...(15) Violated in 0 structures by 0.00 A. Peak 3683 from cnoeabs.peaks (8.41, 3.23, 67.30 ppm; 5.07 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 20 + HA VAL 16 OK 100 100 100 100 4.2-5.1 871/945=78, 951=61...(12) H LEU 64 - HA VAL 16 far 0 71 0 - 8.7-29.5 Violated in 2 structures by 0.00 A. Peak 3684 from cnoeabs.peaks (7.98, 3.69, 64.32 ppm; 4.26 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 19 + HA ILE 17 OK 100 100 100 100 3.9-4.8 943=100, 39/3.6=67...(10) H ILE 17 + HA ILE 17 OK 68 68 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 3685 from cnoeabs.peaks (8.41, 3.69, 64.32 ppm; 4.41 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 20 + HA ILE 17 OK 100 100 100 100 3.1-3.8 950=100, 542/3689=67...(11) H LEU 64 - HA ILE 17 far 0 71 0 - 6.8-29.1 Violated in 0 structures by 0.00 A. Peak 3686 from cnoeabs.peaks (2.16, 3.69, 64.32 ppm; 4.01 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 20 + HA ILE 17 OK 100 100 100 100 3.1-4.8 3687=94, 1.8/3689=82...(9) Violated in 8 structures by 0.25 A. Peak 3687 from cnoeabs.peaks (3.69, 2.16, 28.89 ppm; 4.11 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 17 + HB2 GLU 20 OK 100 100 100 100 3.1-4.8 3686=100, 3689/1.8=85...(9) Violated in 8 structures by 0.21 A. Peak 3688 from cnoeabs.peaks (2.04, 3.69, 64.32 ppm; 4.05 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLU 20 + HA ILE 17 OK 100 100 100 100 2.9-5.1 3689=100, 1.8/3686=77...(10) HB2 LYS 22 - HA ILE 17 far 0 90 0 - 8.0-10.1 Violated in 12 structures by 0.40 A. Peak 3689 from cnoeabs.peaks (3.69, 2.04, 28.89 ppm; 3.74 A): 1 out of 1 assignment used, quality = 0.99: * HA ILE 17 + HB3 GLU 20 OK 99 100 100 99 2.9-5.1 3688=79, 3686/1.8=66...(9) Violated in 13 structures by 0.60 A. Peak 3690 from cnoeabs.peaks (8.31, 3.69, 64.32 ppm; 5.12 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 21 + HA ILE 17 OK 100 100 100 100 4.0-4.9 956=100, 52/950=80...(12) H LYS 62 - HA ILE 17 far 0 97 0 - 7.8-23.8 Violated in 0 structures by 0.00 A. Peak 3691 from cnoeabs.peaks (8.41, 4.19, 58.41 ppm; 5.06 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 20 + HA GLU 18 OK 100 100 100 100 4.0-4.9 871/3.6=85, 52/3692=81...(15) H ALA 38 - HA GLU 18 far 0 65 0 - 9.5-10.6 Violated in 0 structures by 0.00 A. Peak 3692 from cnoeabs.peaks (8.31, 4.19, 58.41 ppm; 3.88 A): 1 out of 1 assignment used, quality = 0.99: * H ARG 21 + HA GLU 18 OK 99 100 100 99 3.2-3.8 955=60, 4134/3.0=42...(15) Violated in 0 structures by 0.00 A. Peak 3693 from cnoeabs.peaks (1.97, 4.19, 58.41 ppm; 2.98 A): 4 out of 5 assignments used, quality = 0.99: * HB2 ARG 21 + HA GLU 18 OK 91 100 100 91 2.5-3.2 3694=46, 1.8/3696=29...(10) HB3 GLU 18 + HA GLU 18 OK 60 60 100 100 2.4-2.7 3.0=98, 3.0/1251=36...(15) HB2 GLU 18 + HA GLU 18 OK 60 60 100 100 3.0-3.0 3.0=98, 3.0/1251=36...(15) HB3 ARG 21 + HA GLU 18 OK 40 100 45 89 4.1-4.8 3696=39, 1.8/3694=34...(9) HD3 LYS 22 - HA GLU 18 far 0 99 0 - 4.5-8.7 Violated in 0 structures by 0.00 A. Peak 3694 from cnoeabs.peaks (4.19, 1.97, 30.19 ppm; 3.14 A): 2 out of 4 assignments used, quality = 0.97: * HA GLU 18 + HB2 ARG 21 OK 89 100 100 89 2.5-3.2 3693=36, 3692/4.0=28...(10) HA GLU 18 + HB3 ARG 21 OK 74 100 85 87 4.1-4.8 3692/4.0=28, 4139/3.5=28...(9) HA GLU 20 - HB2 ARG 21 far 0 65 0 - 5.5-5.9 HA GLU 20 - HB3 ARG 21 far 0 64 0 - 6.4-6.6 Violated in 0 structures by 0.00 A. Peak 3695 from cnoeabs.peaks (1.97, 4.19, 58.41 ppm; 2.98 A): 4 out of 6 assignments used, quality = 0.99: HB2 ARG 21 + HA GLU 18 OK 90 100 100 90 2.5-3.2 3694=46, 1.8/3696=29...(10) HB3 GLU 18 + HA GLU 18 OK 68 68 100 100 2.4-2.7 3.0=98, 3.0/1251=36...(15) HB2 GLU 18 + HA GLU 18 OK 68 68 100 100 3.0-3.0 3.0=98, 3.0/1251=36...(15) * HB3 ARG 21 + HA GLU 18 OK 40 100 45 89 4.1-4.8 3696=39, 1.8/3694=34...(9) HD3 LYS 22 - HA GLU 18 far 0 98 0 - 4.5-8.7 HB2 MET 11 - HA GLU 18 far 0 65 0 - 9.2-11.3 Violated in 0 structures by 0.00 A. Peak 3696 from cnoeabs.peaks (4.19, 1.97, 30.19 ppm; 3.14 A): 2 out of 4 assignments used, quality = 0.97: HA GLU 18 + HB2 ARG 21 OK 88 100 100 88 2.5-3.2 3693=36, 3692/4.0=28...(10) * HA GLU 18 + HB3 ARG 21 OK 74 100 85 87 4.1-4.8 3692/4.0=28, 4139/3.5=28...(9) HA GLU 20 - HB2 ARG 21 far 0 64 0 - 5.5-5.9 HA GLU 20 - HB3 ARG 21 far 0 65 0 - 6.4-6.6 Violated in 0 structures by 0.00 A. Peak 3697 from cnoeabs.peaks (8.03, 4.19, 58.41 ppm; 4.28 A): 2 out of 4 assignments used, quality = 0.99: * H LYS 22 + HA GLU 18 OK 97 100 100 97 3.8-4.6 873/3692=63, 961=57...(6) H ILE 17 + HA GLU 18 OK 74 83 100 89 5.2-5.4 869/3.0=58, 4.0/4087=53...(6) H LEU 41 - HA GLU 18 far 0 65 0 - 8.1-8.7 H ASN 40 - HA GLU 18 far 0 96 0 - 9.2-10.1 Violated in 6 structures by 0.01 A. Peak 3699 from cnoeabs.peaks (8.03, 3.64, 58.54 ppm; 3.96 A): 1 out of 5 assignments used, quality = 0.99: * H LYS 22 + HA LEU 19 OK 99 100 100 99 3.6-4.3 960=82, 556/3702=47...(10) H LEU 41 - HA LEU 19 far 0 65 0 - 6.6-8.7 H ILE 17 - HA LEU 19 far 0 83 0 - 6.7-7.1 H ASN 40 - HA LEU 19 far 0 96 0 - 8.2-10.0 H GLN 53 - HA LEU 19 far 0 100 0 - 9.1-10.3 Violated in 5 structures by 0.03 A. Peak 3700 from cnoeabs.peaks (2.06, 3.64, 58.54 ppm; 4.63 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LYS 22 + HA LEU 19 OK 100 100 100 100 3.1-4.9 3701=87, 1.8/3702=84...(12) HB3 GLU 20 + HA LEU 19 OK 32 90 40 89 5.9-6.6 542/3.6=68, 4.1/953=46...(6) HB VAL 16 - HA LEU 19 far 0 87 0 - 7.8-8.4 Violated in 2 structures by 0.00 A. Peak 3701 from cnoeabs.peaks (3.64, 2.06, 30.62 ppm; 4.84 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 19 + HB2 LYS 22 OK 100 100 100 100 3.1-4.9 3702/1.8=89, 3699/555=77...(12) HA VAL 48 - HB2 LYS 22 far 0 97 0 - 7.2-9.0 HA ALA 38 - HB2 LYS 22 far 0 65 0 - 7.7-9.1 HA GLU 45 - HB2 LYS 22 far 0 100 0 - 9.9-11.5 Violated in 1 structures by 0.00 A. Peak 3702 from cnoeabs.peaks (2.38, 3.64, 58.54 ppm; 4.39 A): 1 out of 4 assignments used, quality = 0.99: * HB3 LYS 22 + HA LEU 19 OK 99 100 100 99 2.7-4.5 3703=74, 1.8/3701=66...(11) HG3 GLU 18 - HA LEU 19 far 0 65 0 - 6.1-6.6 HG2 MET 11 - HA LEU 19 far 0 99 0 - 6.9-11.6 HD2 ARG 55 - HA LEU 19 far 0 65 0 - 7.7-9.9 Violated in 5 structures by 0.02 A. Peak 3703 from cnoeabs.peaks (3.64, 2.38, 30.62 ppm; 4.85 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 19 + HB3 LYS 22 OK 100 100 100 100 2.7-4.5 3702=100, 3701/1.8=80...(11) HA VAL 48 - HB3 LYS 22 far 0 97 0 - 7.1-8.2 HA ALA 38 - HB3 LYS 22 far 0 65 0 - 8.0-9.2 HA GLU 45 - HB3 LYS 22 far 0 100 0 - 9.5-11.0 Violated in 0 structures by 0.00 A. Peak 3705 from cnoeabs.peaks (8.03, 4.22, 59.07 ppm; 5.18 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 22 + HA GLU 20 OK 100 100 100 100 4.0-5.0 873/3.6=88, 959/3.0=77...(6) H ILE 17 - HA GLU 20 far 0 83 0 - 7.4-7.7 H GLN 53 - HA GLU 20 far 0 100 0 - 9.5-10.1 Violated in 0 structures by 0.00 A. Peak 3706 from cnoeabs.peaks (8.99, 4.22, 59.07 ppm; 4.48 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 23 + HA GLU 20 OK 100 100 100 100 3.2-3.8 965=86, 565/3707=64...(8) Violated in 0 structures by 0.00 A. Peak 3707 from cnoeabs.peaks (3.15, 4.22, 59.07 ppm; 3.70 A): 1 out of 3 assignments used, quality = 0.99: * HB2 PHE 23 + HA GLU 20 OK 99 100 100 99 2.1-4.0 3708=78, 1.8/3709=66...(7) HD3 ARG 61 - HA GLU 20 far 0 95 0 - 6.7-20.6 HD2 ARG 61 - HA GLU 20 far 0 95 0 - 7.4-21.5 Violated in 1 structures by 0.01 A. Peak 3708 from cnoeabs.peaks (4.22, 3.15, 39.32 ppm; 4.01 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 20 + HB2 PHE 23 OK 100 100 100 100 2.1-4.0 3707=100, 3709/1.8=76...(7) HA ARG 61 - HB2 PHE 23 far 0 78 0 - 6.5-17.1 HA GLU 18 - HB2 PHE 23 far 0 65 0 - 7.6-9.1 Violated in 0 structures by 0.00 A. Peak 3709 from cnoeabs.peaks (3.08, 4.22, 59.07 ppm; 3.99 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 23 + HA GLU 20 OK 100 100 100 100 2.5-4.1 3710=89, 1.8/3707=83...(7) Violated in 2 structures by 0.00 A. Peak 3710 from cnoeabs.peaks (4.22, 3.08, 39.32 ppm; 4.15 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 20 + HB3 PHE 23 OK 100 100 100 100 2.5-4.1 3709=100, 3707/1.8=87...(7) HA ARG 61 - HB3 PHE 23 far 4 78 5 - 4.9-17.2 HA GLU 18 - HB3 PHE 23 far 0 65 0 - 7.8-9.0 Violated in 0 structures by 0.00 A. Peak 3713 from cnoeabs.peaks (8.13, 4.07, 59.55 ppm; 4.31 A): 1 out of 3 assignments used, quality = 0.94: * H SER 24 + HA ARG 21 OK 94 100 100 94 3.4-3.8 962/3.6=61, 969=46...(8) H LYS 27 - HA ARG 56 far 0 91 0 - 6.9-10.4 H SER 24 - HA ARG 56 far 0 93 0 - 9.2-10.8 Violated in 0 structures by 0.00 A. Peak 3714 from cnoeabs.peaks (3.97, 4.07, 59.55 ppm; 3.42 A): 2 out of 2 assignments used, quality = 0.83: * HB2 SER 24 + HA ARG 21 OK 59 100 100 59 2.7-4.0 4.0/3713=30, 3715=20...(4) HB3 SER 24 + HA ARG 21 OK 59 100 100 59 2.3-4.5 4.0/3713=30, 1533=18...(4) Violated in 0 structures by 0.00 A. Peak 3715 from cnoeabs.peaks (4.07, 3.97, 63.03 ppm; 2.80 A): 4 out of 4 assignments used, quality = 1.00: HA SER 24 + HB2 SER 24 OK 92 99 100 93 2.3-3.0 3.0=79, 1527/1.8=31...(9) HA SER 24 + HB3 SER 24 OK 92 99 100 93 2.4-3.0 3.0=79, 1526/1.8=31...(9) * HA ARG 21 + HB2 SER 24 OK 59 100 100 59 2.7-4.0 3714=27, 3716/1.8=24...(4) HA ARG 21 + HB3 SER 24 OK 53 100 90 59 2.3-4.5 3714=27, 3714/1.8=24...(4) Violated in 0 structures by 0.00 A. Peak 3716 from cnoeabs.peaks (3.97, 4.07, 59.55 ppm; 3.42 A): 2 out of 2 assignments used, quality = 0.83: HB2 SER 24 + HA ARG 21 OK 59 100 100 59 2.7-4.0 4.0/3713=30, 3715=20...(4) * HB3 SER 24 + HA ARG 21 OK 59 100 100 59 2.3-4.5 4.0/3713=30, 1533=18...(4) Violated in 0 structures by 0.00 A. Peak 3717 from cnoeabs.peaks (4.07, 3.97, 63.03 ppm; 2.80 A): 4 out of 4 assignments used, quality = 1.00: HA SER 24 + HB3 SER 24 OK 92 99 100 93 2.4-3.0 3.0=79, 1526/1.8=31...(9) HA SER 24 + HB2 SER 24 OK 92 99 100 93 2.3-3.0 3.0=79, 1527/1.8=31...(9) HA ARG 21 + HB2 SER 24 OK 59 100 100 59 2.7-4.0 3716=27, 3716/1.8=24...(4) * HA ARG 21 + HB3 SER 24 OK 53 100 90 59 2.3-4.5 3716=27, 3714/1.8=24...(4) Violated in 0 structures by 0.00 A. Peak 3719 from cnoeabs.peaks (7.21, 4.21, 57.19 ppm; 6.00 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 33 + HA ALA 31 OK 100 100 100 100 4.5-5.0 133/3720=89, 131/3.8=88...(9) Violated in 0 structures by 0.00 A. Peak 3720 from cnoeabs.peaks (8.73, 4.21, 57.19 ppm; 4.53 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 34 + HA ALA 31 OK 100 100 100 100 4.0-4.5 624/3722=77, 139/3725=59...(10) Violated in 1 structures by 0.00 A. Peak 3721 from cnoeabs.peaks (1.94, 4.21, 57.19 ppm; 4.08 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ARG 34 + HA ALA 31 OK 100 100 100 100 3.6-4.3 3722=100, 1.8/3723=70...(7) HD3 LYS 22 - HA ALA 31 far 0 78 0 - 9.9-13.5 HB3 LYS 39 - HA ALA 31 far 0 93 0 - 9.9-11.3 Violated in 2 structures by 0.02 A. Peak 3722 from cnoeabs.peaks (4.21, 1.94, 29.95 ppm; 3.62 A): 1 out of 2 assignments used, quality = 0.96: * HA ALA 31 + HB2 ARG 34 OK 96 100 100 96 3.6-4.3 3721=70, 3723/1.8=54...(6) HB3 SER 30 - HB2 ARG 34 far 0 95 0 - 6.1-7.4 Violated in 20 structures by 0.22 A. Peak 3723 from cnoeabs.peaks (1.86, 4.21, 57.19 ppm; 4.33 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ARG 34 + HA ALA 31 OK 100 100 100 100 3.8-4.5 1.8/3722=92, 3724=84...(9) HB2 GLU 33 - HA ALA 31 far 4 73 5 - 5.6-7.5 HB3 LYS 49 - HA ALA 31 far 0 78 0 - 7.9-10.7 Violated in 4 structures by 0.02 A. Peak 3724 from cnoeabs.peaks (4.21, 1.86, 29.95 ppm; 4.29 A): 1 out of 2 assignments used, quality = 1.00: * HA ALA 31 + HB3 ARG 34 OK 100 100 100 100 3.8-4.5 3723=97, 3722/1.8=92...(9) HB3 SER 30 - HB3 ARG 34 poor 19 95 55 37 5.3-6.4 976/1871=23, 981/142=8...(5) Violated in 5 structures by 0.03 A. Peak 3725 from cnoeabs.peaks (8.15, 4.21, 57.19 ppm; 4.70 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 35 + HA ALA 31 OK 100 100 100 100 4.3-5.1 981=83, 141/3722=78...(9) H THR 46 - HA ALA 31 far 0 98 0 - 9.4-11.4 Violated in 9 structures by 0.08 A. Peak 3726 from cnoeabs.peaks (8.73, 4.38, 65.82 ppm; 5.24 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 34 + HA PRO 32 OK 100 100 100 100 4.1-5.1 133/3.5=90, 139/980=88...(7) Violated in 0 structures by 0.00 A. Peak 3727 from cnoeabs.peaks (8.15, 4.38, 65.82 ppm; 4.19 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 35 + HA PRO 32 OK 100 100 100 100 3.3-3.8 980=100, 632/3729=84...(12) Violated in 0 structures by 0.00 A. Peak 3728 from cnoeabs.peaks (1.49, 4.38, 65.82 ppm; 3.24 A): 1 out of 3 assignments used, quality = 1.00: * QB ALA 35 + HA PRO 32 OK 100 100 100 100 2.4-2.9 3729=100, 632/980=45...(7) HG LEU 43 - HB2 SER 12 far 0 61 0 - 6.3-9.2 HB3 LEU 29 - HA PRO 32 far 0 71 0 - 7.8-8.9 Violated in 0 structures by 0.00 A. Peak 3729 from cnoeabs.peaks (4.38, 1.49, 17.89 ppm; 3.19 A): 1 out of 2 assignments used, quality = 0.99: * HA PRO 32 + QB ALA 35 OK 99 100 100 99 2.4-2.9 3728=95, 980/632=44...(7) HA ASN 40 - QB ALA 35 far 0 98 0 - 7.9-8.4 Violated in 0 structures by 0.00 A. Peak 3731 from cnoeabs.peaks (8.15, 4.07, 58.90 ppm; 4.73 A): 1 out of 3 assignments used, quality = 1.00: * H ALA 35 + HA GLU 33 OK 100 100 100 100 4.1-4.7 139/3.6=82, 147/985=77...(9) H ALA 35 - HA LYS 39 far 0 88 0 - 8.1-8.8 H THR 46 - HA LYS 39 far 0 83 0 - 9.3-10.0 Violated in 1 structures by 0.00 A. Peak 3732 from cnoeabs.peaks (7.99, 4.07, 58.90 ppm; 3.72 A): 2 out of 4 assignments used, quality = 1.00: * H HIS 36 + HA GLU 33 OK 99 100 100 99 3.5-3.9 985=93, 984/3.6=40...(7) H ASN 40 + HA LYS 39 OK 49 49 100 100 3.5-3.5 3.6=100 H HIS 36 - HA LYS 39 far 0 88 0 - 7.3-7.6 H ASN 40 - HA GLU 33 far 0 63 0 - 8.4-9.2 Violated in 0 structures by 0.00 A. Peak 3733 from cnoeabs.peaks (3.19, 4.07, 58.90 ppm; 3.34 A): 2 out of 4 assignments used, quality = 0.96: * HB2 HIS 36 + HA GLU 33 OK 84 100 100 84 2.5-3.6 4.0/985=34, 4.0/4626=31...(8) HB3 HIS 36 + HA GLU 33 OK 77 100 95 81 3.3-4.9 4.0/985=34, 4.0/4626=31...(8) HB3 HIS 36 - HA LYS 39 far 0 88 0 - 8.0-8.3 HB2 HIS 36 - HA LYS 39 far 0 88 0 - 8.4-8.6 Violated in 0 structures by 0.00 A. Peak 3734 from cnoeabs.peaks (4.07, 3.19, 30.63 ppm; 3.75 A): 4 out of 7 assignments used, quality = 1.00: * HA GLU 33 + HB2 HIS 36 OK 96 100 100 96 2.5-3.6 3733=52, 985/4.0=43...(8) HA GLU 33 + HB3 HIS 36 OK 95 100 100 95 3.3-4.9 3733=48, 3733/1.8=44...(8) HA LEU 37 + HB3 HIS 36 OK 77 96 100 80 3.9-4.1 3.0/152=34, ~152=20...(9) HA LEU 37 + HB2 HIS 36 OK 65 96 85 80 4.7-5.5 3.0/152=35, ~153=20...(9) HA LYS 39 - HB3 HIS 36 far 0 97 0 - 8.0-8.3 HA LYS 39 - HB2 HIS 36 far 0 97 0 - 8.4-8.6 HB THR 46 - HB2 HIS 10 far 0 73 0 - 9.4-17.5 Violated in 0 structures by 0.00 A. Peak 3735 from cnoeabs.peaks (3.19, 4.07, 58.90 ppm; 3.34 A): 2 out of 4 assignments used, quality = 0.96: HB2 HIS 36 + HA GLU 33 OK 84 100 100 84 2.5-3.6 4.0/985=34, 4.0/4626=31...(8) * HB3 HIS 36 + HA GLU 33 OK 77 100 95 81 3.3-4.9 4.0/985=34, 4.0/4626=31...(8) HB3 HIS 36 - HA LYS 39 far 0 88 0 - 8.0-8.3 HB2 HIS 36 - HA LYS 39 far 0 88 0 - 8.4-8.6 Violated in 0 structures by 0.00 A. Peak 3736 from cnoeabs.peaks (4.07, 3.19, 30.63 ppm; 3.75 A): 4 out of 7 assignments used, quality = 1.00: HA GLU 33 + HB2 HIS 36 OK 96 100 100 96 2.5-3.6 3735=52, 985/4.0=43...(8) * HA GLU 33 + HB3 HIS 36 OK 95 100 100 95 3.3-4.9 3735=48, 3733/1.8=44...(8) HA LEU 37 + HB3 HIS 36 OK 77 96 100 80 3.9-4.1 3.0/153=34, ~152=20...(9) HA LEU 37 + HB2 HIS 36 OK 65 96 85 80 4.7-5.5 3.0/153=35, ~153=20...(9) HA LYS 39 - HB3 HIS 36 far 0 97 0 - 8.0-8.3 HA LYS 39 - HB2 HIS 36 far 0 97 0 - 8.4-8.6 HB THR 46 - HB2 HIS 10 far 0 76 0 - 9.4-17.5 Violated in 0 structures by 0.00 A. Peak 3737 from cnoeabs.peaks (8.07, 4.07, 58.90 ppm; 3.78 A): 2 out of 4 assignments used, quality = 0.98: * H LEU 37 + HA GLU 33 OK 90 100 100 90 4.2-5.1 886/985=57, 991=41...(5) H LEU 41 + HA LYS 39 OK 79 82 100 96 4.2-4.5 890/3.6=68, 181/4466=49...(7) H LEU 37 - HA LYS 39 far 0 88 0 - 6.6-7.0 H GLN 47 - HA LYS 39 far 0 76 0 - 9.5-10.1 Violated in 20 structures by 0.14 A. Peak 3739 from cnoeabs.peaks (8.07, 3.79, 59.87 ppm; 4.42 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 37 + HA ARG 34 OK 100 100 100 100 3.4-3.8 990=100, 641/3743=66...(14) H LEU 41 - HA ARG 34 far 0 97 0 - 8.0-8.6 H GLN 47 - HA ARG 34 far 0 92 0 - 8.2-10.3 Violated in 0 structures by 0.00 A. Peak 3740 from cnoeabs.peaks (1.66, 3.79, 59.87 ppm; 3.61 A): 2 out of 2 assignments used, quality = 0.99: * HB2 LEU 37 + HA ARG 34 OK 99 100 100 99 2.9-4.3 3741=63, 1.8/3743=58...(11) HG3 LYS 22 + HA ARG 34 OK 30 93 45 72 4.2-7.9 4810/4326=27...(8) Violated in 15 structures by 0.13 A. Peak 3741 from cnoeabs.peaks (3.79, 1.66, 42.65 ppm; 4.20 A): 1 out of 4 assignments used, quality = 1.00: * HA ARG 34 + HB2 LEU 37 OK 100 100 100 100 2.9-4.3 3743/1.8=77, 3740=77...(11) HA ILE 50 - HB2 LEU 64 far 0 68 0 - 8.7-29.4 HA GLN 15 - HB2 LEU 37 far 0 100 0 - 8.9-11.5 HA THR 14 - HB2 LEU 64 far 0 55 0 - 9.4-36.3 Violated in 3 structures by 0.01 A. Peak 3742 from cnoeabs.peaks (1.73, 3.79, 59.87 ppm; 4.04 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LEU 37 + HA ARG 34 OK 100 100 100 100 2.7-4.1 3743=91, 1.8/3741=72...(15) HG2 LYS 22 + HA ARG 34 OK 39 87 65 70 4.5-6.4 4153/4242=28...(6) HD2 LYS 49 - HA ARG 34 far 0 60 0 - 8.8-11.7 Violated in 0 structures by 0.00 A. Peak 3743 from cnoeabs.peaks (3.79, 1.73, 42.65 ppm; 4.18 A): 1 out of 3 assignments used, quality = 1.00: * HA ARG 34 + HB3 LEU 37 OK 100 100 100 100 2.7-4.1 3741/1.8=76, 3742=72...(15) HA GLN 15 - HB3 LEU 37 far 0 100 0 - 8.3-11.6 HD3 PRO 32 - HB3 LEU 37 far 0 97 0 - 9.7-12.1 Violated in 0 structures by 0.00 A. Peak 3744 from cnoeabs.peaks (8.44, 3.79, 59.87 ppm; 4.83 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 38 + HA ARG 34 OK 100 100 100 100 3.6-4.2 996=100, 887/990=77...(16) Violated in 0 structures by 0.00 A. Peak 3745 from cnoeabs.peaks (8.07, 3.98, 55.19 ppm; 5.34 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 37 + HA ALA 35 OK 100 100 100 100 4.0-4.5 988=100, 886/3.6=95...(8) H LEU 41 - HA ALA 35 far 0 97 0 - 7.2-7.8 H GLN 47 - HA ALA 35 far 0 92 0 - 7.7-9.4 Violated in 0 structures by 0.00 A. Peak 3746 from cnoeabs.peaks (8.44, 3.98, 55.19 ppm; 4.22 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 38 + HA ALA 35 OK 100 100 100 100 3.6-3.8 995=100, 1982/3748=78...(11) Violated in 0 structures by 0.00 A. Peak 3747 from cnoeabs.peaks (1.34, 3.98, 55.19 ppm; 3.27 A): 2 out of 2 assignments used, quality = 1.00: * QB ALA 38 + HA ALA 35 OK 99 100 100 99 2.5-2.9 3748=93, 1982/995=40...(13) HG2 ARG 34 + HA ALA 35 OK 88 100 100 89 4.0-4.6 4517/4355=19, 143/3.0=19...(16) Violated in 0 structures by 0.00 A. Peak 3748 from cnoeabs.peaks (3.98, 1.34, 17.52 ppm; 3.34 A): 1 out of 4 assignments used, quality = 0.96: * HA ALA 35 + QB ALA 38 OK 96 100 100 96 2.5-2.9 3747=53, 995/1982=42...(13) HA LYS 42 - QB ALA 38 far 0 100 0 - 5.1-5.5 HA GLN 47 - QB ALA 38 far 0 76 0 - 6.3-7.2 HB2 SER 30 - QB ALA 38 far 0 60 0 - 9.1-11.6 Violated in 0 structures by 0.00 A. Peak 3749 from cnoeabs.peaks (7.67, 3.98, 55.19 ppm; 4.86 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 39 + HA ALA 35 OK 100 100 100 100 3.3-4.0 164/3748=90, 888/995=78...(7) H VAL 48 - HA ALA 35 far 0 98 0 - 7.1-8.3 Violated in 0 structures by 0.00 A. Peak 3750 from cnoeabs.peaks (8.44, 4.32, 59.41 ppm; 5.53 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 38 + HA HIS 36 OK 100 100 100 100 4.9-5.3 993=100, 887/3.6=95...(9) Violated in 0 structures by 0.00 A. Peak 3751 from cnoeabs.peaks (7.67, 4.32, 59.41 ppm; 4.30 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 39 + HA HIS 36 OK 100 100 100 100 4.0-4.3 1000=100, 653/4368=57...(12) Violated in 1 structures by 0.00 A. Peak 3752 from cnoeabs.peaks (1.92, 4.32, 59.41 ppm; 3.46 A): 2 out of 3 assignments used, quality = 0.99: HB3 LYS 39 + HA HIS 36 OK 97 100 100 97 3.1-3.8 2.9/4368=46, 3755=41...(13) * HB2 LYS 39 + HA HIS 36 OK 63 100 65 96 4.7-5.0 2.9/4368=46, 3753=41...(12) HB2 ARG 34 - HA HIS 36 far 0 90 0 - 7.5-7.9 Violated in 15 structures by 0.09 A. Peak 3753 from cnoeabs.peaks (4.32, 1.92, 32.12 ppm; 3.70 A): 2 out of 4 assignments used, quality = 1.00: HA HIS 36 + HB3 LYS 39 OK 99 100 100 99 3.1-3.8 3752=61, 4368/2.9=53...(13) * HA HIS 36 + HB2 LYS 39 OK 98 100 100 98 4.7-5.0 4368/2.9=53, 3754/1.8=49...(12) HA LEU 41 - HB3 LYS 39 far 0 75 0 - 8.0-8.3 HA LEU 41 - HB2 LYS 39 far 0 76 0 - 8.1-8.3 Violated in 0 structures by 0.00 A. Peak 3754 from cnoeabs.peaks (1.92, 4.32, 59.41 ppm; 3.46 A): 2 out of 3 assignments used, quality = 0.99: * HB3 LYS 39 + HA HIS 36 OK 97 100 100 97 3.1-3.8 2.9/4368=46, 3755=41...(13) HB2 LYS 39 + HA HIS 36 OK 63 100 65 96 4.7-5.0 2.9/4368=46, 3753=41...(12) HB2 ARG 34 - HA HIS 36 far 0 93 0 - 7.5-7.9 Violated in 15 structures by 0.09 A. Peak 3755 from cnoeabs.peaks (4.32, 1.92, 32.12 ppm; 3.70 A): 2 out of 4 assignments used, quality = 1.00: * HA HIS 36 + HB3 LYS 39 OK 99 100 100 99 3.1-3.8 3754=61, 4368/2.9=53...(13) HA HIS 36 + HB2 LYS 39 OK 98 100 100 98 4.7-5.0 4368/2.9=53, 3754/1.8=49...(12) HA LEU 41 - HB3 LYS 39 far 0 76 0 - 8.0-8.3 HA LEU 41 - HB2 LYS 39 far 0 75 0 - 8.1-8.3 Violated in 0 structures by 0.00 A. Peak 3756 from cnoeabs.peaks (8.02, 4.32, 59.41 ppm; 3.94 A): 2 out of 2 assignments used, quality = 0.99: * H ASN 40 + HA HIS 36 OK 97 100 100 97 4.2-4.5 889/1000=56, 5.0/4368=35...(10) H HIS 36 + HA HIS 36 OK 63 63 100 100 2.7-2.8 3.0=100 Violated in 0 structures by 0.00 A. Peak 3757 from cnoeabs.peaks (7.67, 4.06, 57.84 ppm; 5.21 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 39 + HA LEU 37 OK 100 100 100 100 4.4-5.0 888/3.6=91, 889/3758=90...(9) H VAL 48 - HA LEU 37 far 0 98 0 - 8.5-9.9 HE22 GLN 26 - HA LEU 37 far 0 60 0 - 8.8-12.3 Violated in 0 structures by 0.00 A. Peak 3758 from cnoeabs.peaks (8.02, 4.06, 57.84 ppm; 3.68 A): 1 out of 3 assignments used, quality = 0.99: * H ASN 40 + HA LEU 37 OK 99 100 100 99 3.4-3.6 660/3759=58, 1005=57...(15) H HIS 36 - HA LEU 37 far 0 63 0 - 5.3-5.5 H LYS 22 - HA LEU 37 far 0 96 0 - 6.5-8.0 Violated in 0 structures by 0.00 A. Peak 3759 from cnoeabs.peaks (2.76, 4.06, 57.84 ppm; 3.59 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 40 + HA LEU 37 OK 100 100 100 100 2.4-2.7 3760=69, 1.8/3762=68...(13) Violated in 0 structures by 0.00 A. Peak 3760 from cnoeabs.peaks (4.06, 2.76, 38.33 ppm; 4.08 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 37 + HB2 ASN 40 OK 100 100 100 100 2.4-2.7 3759=100, 3762/1.8=83...(13) HA LYS 39 - HB2 ASN 40 far 11 76 15 - 5.6-5.6 HA GLU 33 - HB2 ASN 40 far 0 95 0 - 8.1-9.2 Violated in 0 structures by 0.00 A. Peak 3761 from cnoeabs.peaks (2.70, 4.06, 57.84 ppm; 3.96 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 40 + HA LEU 37 OK 100 100 100 100 3.7-3.9 3762=100, 1.8/3759=84...(11) Violated in 0 structures by 0.00 A. Peak 3762 from cnoeabs.peaks (4.06, 2.70, 38.33 ppm; 3.78 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 37 + HB3 ASN 40 OK 100 100 100 100 3.7-3.9 3761=87, 3759/1.8=79...(11) HA LYS 39 - HB3 ASN 40 far 0 76 0 - 6.4-6.5 HB THR 14 - HB3 ASN 40 far 0 93 0 - 8.6-10.7 HA GLU 33 - HB3 ASN 40 far 0 95 0 - 9.5-10.8 Violated in 16 structures by 0.06 A. Peak 3763 from cnoeabs.peaks (8.06, 4.06, 57.84 ppm; 3.39 A): 2 out of 3 assignments used, quality = 1.00: H LEU 37 + HA LEU 37 OK 97 97 100 100 2.8-2.9 3.0=100 * H LEU 41 + HA LEU 37 OK 96 100 100 96 4.0-4.3 3491/3762=41...(13) H LYS 22 - HA LEU 37 far 0 65 0 - 6.5-8.0 Violated in 0 structures by 0.00 A. Peak 3764 from cnoeabs.peaks (8.02, 3.61, 55.88 ppm; 4.67 A): 1 out of 3 assignments used, quality = 1.00: * H ASN 40 + HA ALA 38 OK 100 100 100 100 4.1-4.5 889/3.6=81, 4419/2.1=79...(8) H HIS 36 - HA ALA 38 far 0 63 0 - 7.1-7.4 H LYS 22 - HA ALA 38 far 0 96 0 - 9.4-10.5 Violated in 0 structures by 0.00 A. Peak 3765 from cnoeabs.peaks (8.06, 3.61, 55.88 ppm; 4.35 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 41 + HA ALA 38 OK 100 100 100 100 3.2-3.5 1009=81, 890/1003=55...(12) H LEU 37 + HA ALA 38 OK 95 97 100 98 5.2-5.4 887/2.9=80, 992/3.6=49...(9) H GLN 47 - HA ALA 38 far 0 100 0 - 6.4-7.3 H LYS 22 - HA ALA 38 far 0 65 0 - 9.4-10.5 Violated in 0 structures by 0.00 A. Peak 3766 from cnoeabs.peaks (1.62, 3.61, 55.88 ppm; 3.89 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LEU 41 + HA ALA 38 OK 98 100 100 98 2.6-4.7 1.8/3768=49...(12) HB3 LEU 43 + HA ALA 38 OK 93 93 100 100 3.7-5.3 1.8/4402=82, 3.1/4404=51...(8) HB3 GLN 15 - HA ALA 38 far 0 90 0 - 7.5-10.0 Violated in 1 structures by 0.01 A. Peak 3767 from cnoeabs.peaks (3.61, 1.62, 42.54 ppm; 4.93 A): 2 out of 5 assignments used, quality = 1.00: * HA ALA 38 + HB2 LEU 41 OK 100 100 100 100 2.6-4.7 3768/1.8=81...(12) HA VAL 48 + HB2 LEU 41 OK 21 90 30 78 5.8-7.5 4578/4820=27, ~4463=19...(10) HA LEU 19 - HB2 LEU 41 poor 18 65 35 77 5.4-7.6 ~4438=39, ~534=22...(7) HA GLU 45 - HB2 LEU 41 far 0 60 0 - 7.1-10.0 HA LEU 19 - HB3 LEU 64 far 0 59 0 - 9.6-31.3 Violated in 0 structures by 0.00 A. Peak 3768 from cnoeabs.peaks (1.43, 3.61, 55.88 ppm; 4.90 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 41 + HA ALA 38 OK 100 100 100 100 2.9-4.8 4461/2.1=70...(12) HG2 LYS 39 - HA ALA 38 far 0 100 0 - 6.8-7.2 Violated in 0 structures by 0.00 A. Peak 3769 from cnoeabs.peaks (3.61, 1.43, 42.54 ppm; 5.19 A): 2 out of 4 assignments used, quality = 1.00: * HA ALA 38 + HB3 LEU 41 OK 100 100 100 100 2.9-4.8 3768=100, 4404/4819=76...(12) HA LEU 19 + HB3 LEU 41 OK 26 65 45 87 5.6-7.4 ~4438=43, 3.7/4462=30...(9) HA VAL 48 - HB3 LEU 41 poor 20 90 25 87 6.0-8.0 4578/4819=46...(10) HA GLU 45 - HB3 LEU 41 far 0 60 0 - 8.0-9.9 Violated in 0 structures by 0.00 A. Peak 3770 from cnoeabs.peaks (8.06, 4.08, 59.02 ppm; 3.78 A): 2 out of 5 assignments used, quality = 0.99: * H LEU 41 + HA LYS 39 OK 97 100 100 97 4.2-4.5 890/3.6=70, 181/4466=49...(7) H LEU 37 + HA GLU 33 OK 70 82 100 85 4.2-5.1 886/985=53, 991=38...(6) H LEU 37 - HA LYS 39 far 0 97 0 - 6.6-7.0 H LYS 22 - HA GLU 33 far 0 51 0 - 8.8-10.6 H GLN 47 - HA LYS 39 far 0 100 0 - 9.5-10.1 Violated in 20 structures by 0.14 A. Peak 3772 from cnoeabs.peaks (7.68, 3.64, 61.08 ppm; 4.24 A): 1 out of 3 assignments used, quality = 0.99: * H VAL 48 + HA GLU 45 OK 99 100 100 99 3.4-3.9 712/3773=67, 714/4512=63...(10) H LYS 39 - HA GLU 45 far 0 98 0 - 5.8-6.8 HE22 GLN 47 - HA GLU 45 far 0 90 0 - 7.9-9.1 Violated in 0 structures by 0.00 A. Peak 3773 from cnoeabs.peaks (2.16, 3.64, 61.08 ppm; 3.71 A): 1 out of 1 assignment used, quality = 0.98: * HB VAL 48 + HA GLU 45 OK 98 100 100 98 2.6-3.3 2.1/4512=61, 3774=46...(11) Violated in 0 structures by 0.00 A. Peak 3774 from cnoeabs.peaks (3.64, 2.16, 32.06 ppm; 3.62 A): 3 out of 4 assignments used, quality = 1.00: * HA GLU 45 + HB VAL 48 OK 100 100 100 100 2.6-3.3 3773=93, 4512/2.1=59...(11) HA VAL 48 + HB VAL 48 OK 95 95 100 100 3.0-3.0 3.0=100 HA ALA 38 + HB VAL 48 OK 22 60 40 91 4.5-5.7 2.1/4409=52, ~4405=45...(8) HA LEU 19 - HB VAL 48 far 0 100 0 - 7.1-8.2 Violated in 0 structures by 0.00 A. Peak 3775 from cnoeabs.peaks (8.54, 3.64, 61.08 ppm; 5.13 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 49 + HA GLU 45 OK 100 100 100 100 4.0-4.9 229/3773=87, 898/3772=76...(7) Violated in 0 structures by 0.00 A. Peak 3777 from cnoeabs.peaks (8.54, 3.90, 66.50 ppm; 4.04 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 49 + HA THR 46 OK 100 100 100 100 3.7-3.9 1022=100, 717/3778=67...(12) Violated in 0 structures by 0.00 A. Peak 3778 from cnoeabs.peaks (2.13, 3.90, 66.50 ppm; 3.44 A): 1 out of 2 assignments used, quality = 0.99: * HB2 LYS 49 + HA THR 46 OK 99 100 100 99 2.9-3.6 3779=81, 1.8/3780=60...(12) HB2 GLN 53 - HA THR 46 far 0 76 0 - 8.2-9.4 Violated in 4 structures by 0.02 A. Peak 3779 from cnoeabs.peaks (3.90, 2.13, 33.10 ppm; 3.69 A): 1 out of 2 assignments used, quality = 1.00: * HA THR 46 + HB2 LYS 49 OK 100 100 100 100 2.9-3.6 3778=100, 3780/1.8=69...(12) HA LYS 27 - HB2 LYS 49 far 0 100 0 - 9.9-13.3 Violated in 0 structures by 0.00 A. Peak 3780 from cnoeabs.peaks (1.88, 3.90, 66.50 ppm; 3.87 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LYS 49 + HA THR 46 OK 100 100 100 100 2.8-4.2 3781=95, 1.8/3778=85...(12) HB3 ARG 34 - HA THR 46 far 0 78 0 - 7.5-9.9 Violated in 5 structures by 0.04 A. Peak 3781 from cnoeabs.peaks (3.90, 1.88, 33.10 ppm; 3.94 A): 1 out of 2 assignments used, quality = 1.00: * HA THR 46 + HB3 LYS 49 OK 100 100 100 100 2.8-4.2 3780=100, 3778/1.8=87...(12) HA LYS 27 - HB3 LYS 49 far 0 100 0 - 9.4-12.3 Violated in 4 structures by 0.02 A. Peak 3782 from cnoeabs.peaks (8.69, 3.90, 66.50 ppm; 4.49 A): 1 out of 1 assignment used, quality = 0.99: * H ILE 50 + HA THR 46 OK 99 100 100 99 4.2-5.0 1028=76, 3534/3778=67...(8) Violated in 16 structures by 0.18 A. Peak 3783 from cnoeabs.peaks (8.54, 3.96, 59.66 ppm; 6.00 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 49 + HA GLN 47 OK 100 100 100 100 3.9-4.4 1020=100, 898/3.6=97...(5) Violated in 0 structures by 0.00 A. Peak 3784 from cnoeabs.peaks (8.69, 3.96, 59.66 ppm; 4.55 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 50 + HA GLN 47 OK 100 100 100 100 3.3-3.8 1027=100, 727/3785=78...(6) Violated in 0 structures by 0.00 A. Peak 3785 from cnoeabs.peaks (1.94, 3.96, 59.66 ppm; 3.60 A): 1 out of 3 assignments used, quality = 0.99: * HB ILE 50 + HA GLN 47 OK 99 100 100 99 2.9-3.7 3786=83, 2.1/4543=52...(8) HB3 GLU 67 - HA GLN 47 far 0 76 0 - 9.9-32.9 HB2 ARG 34 - HA GLN 47 far 0 100 0 - 9.9-11.2 Violated in 1 structures by 0.00 A. Peak 3786 from cnoeabs.peaks (3.96, 1.94, 37.64 ppm; 3.82 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 47 + HB ILE 50 OK 100 100 100 100 2.9-3.7 3785=100, 4543/2.1=59...(8) HA GLN 53 - HB ILE 50 far 0 81 0 - 7.6-7.9 Violated in 0 structures by 0.00 A. Peak 3787 from cnoeabs.peaks (8.27, 3.96, 59.66 ppm; 4.73 A): 1 out of 2 assignments used, quality = 1.00: * H TRP 51 + HA GLN 47 OK 100 100 100 100 3.8-4.6 1033=98, 244/3785=79...(7) H ASN 54 - HA GLN 47 far 0 60 0 - 8.1-8.9 Violated in 0 structures by 0.00 A. Peak 3789 from cnoeabs.peaks (8.27, 3.63, 67.46 ppm; 4.40 A): 1 out of 2 assignments used, quality = 1.00: * H TRP 51 + HA VAL 48 OK 100 100 100 100 3.6-3.8 1032=100, 735/3793=66...(8) H ASN 54 - HA VAL 48 far 0 60 0 - 8.0-8.5 Violated in 0 structures by 0.00 A. Peak 3790 from cnoeabs.peaks (3.50, 3.63, 67.46 ppm; 4.02 A): 1 out of 2 assignments used, quality = 1.00: * HB2 TRP 51 + HA VAL 48 OK 100 100 100 100 2.7-3.5 3791=94, 1.8/3793=74...(11) HB3 PHE 52 - HA VAL 48 poor 19 63 30 - 5.0-7.0 Violated in 0 structures by 0.00 A. Peak 3791 from cnoeabs.peaks (3.63, 3.50, 29.17 ppm; 4.11 A): 1 out of 4 assignments used, quality = 1.00: * HA VAL 48 + HB2 TRP 51 OK 100 100 100 100 2.7-3.5 3790=100, 3793/1.8=76...(11) HA LEU 19 - HB2 TRP 51 far 5 97 5 - 5.5-6.4 HA ALA 38 - HB2 TRP 51 far 0 90 0 - 7.8-8.9 HA GLU 45 - HB2 TRP 51 far 0 95 0 - 8.1-9.1 Violated in 0 structures by 0.00 A. Peak 3792 from cnoeabs.peaks (3.29, 3.63, 67.46 ppm; 4.32 A): 3 out of 3 assignments used, quality = 1.00: * HB3 TRP 51 + HA VAL 48 OK 100 100 100 100 3.0-3.9 3793=100, 1.8/3790=84...(10) HB2 PHE 52 + HA VAL 48 OK 43 89 55 88 5.0-7.3 4.1/1038=50, ~4792=36...(7) HD3 ARG 34 + HA VAL 48 OK 39 78 50 99 4.7-7.4 4336/3.0=41, 4334/3.2=39...(17) Violated in 0 structures by 0.00 A. Peak 3793 from cnoeabs.peaks (3.63, 3.29, 29.17 ppm; 4.10 A): 1 out of 4 assignments used, quality = 0.99: * HA VAL 48 + HB3 TRP 51 OK 99 100 100 99 3.0-3.9 3790/1.8=78, 1032/735=62...(10) HA LEU 19 - HB3 TRP 51 far 0 97 0 - 6.6-7.2 HA ALA 38 - HB3 TRP 51 far 0 90 0 - 7.9-9.2 HA GLU 45 - HB3 TRP 51 far 0 95 0 - 8.3-9.4 Violated in 0 structures by 0.00 A. Peak 3794 from cnoeabs.peaks (8.94, 3.63, 67.46 ppm; 5.46 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 52 + HA VAL 48 OK 100 100 100 100 3.8-4.4 1038=100, 901/1032=85...(7) Violated in 0 structures by 0.00 A. Peak 3796 from cnoeabs.peaks (8.94, 4.33, 59.98 ppm; 5.19 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 52 + HA LYS 49 OK 100 100 100 100 3.6-4.0 1037=100, 1036/3.6=65...(7) Violated in 0 structures by 0.00 A. Peak 3797 from cnoeabs.peaks (3.27, 4.33, 59.98 ppm; 4.01 A): 2 out of 3 assignments used, quality = 1.00: HD3 ARG 34 + HA LYS 49 OK 99 100 100 100 3.6-5.5 4342=69, 1.8/4340=57...(13) * HB2 PHE 52 + HA LYS 49 OK 94 100 100 94 2.7-4.7 1.8/3800=54, 3798=46...(10) HB3 TRP 51 - HA LYS 49 far 0 89 0 - 5.8-6.6 Violated in 4 structures by 0.03 A. Peak 3798 from cnoeabs.peaks (4.33, 3.27, 39.64 ppm; 5.18 A): 1 out of 3 assignments used, quality = 1.00: * HA LYS 49 + HB2 PHE 52 OK 100 100 100 100 2.7-4.7 3800/1.8=88, 1037/4.1=64...(10) HA ASN 54 - HB2 PHE 52 far 0 65 0 - 8.1-8.3 HA LYS 22 - HB2 PHE 52 far 0 76 0 - 9.0-10.4 Violated in 0 structures by 0.00 A. Peak 3799 from cnoeabs.peaks (3.53, 4.33, 59.98 ppm; 4.02 A): 3 out of 3 assignments used, quality = 0.99: * HB3 PHE 52 + HA LYS 49 OK 94 100 100 94 2.9-4.9 3800=57, 1.8/3798=46...(9) HD2 ARG 34 + HA LYS 49 OK 79 93 85 99 3.8-6.0 1.8/4342=63, 4340=56...(13) HB2 TRP 51 + HA LYS 49 OK 30 63 75 63 5.1-5.6 4.3/1037=38, 4590/3.0=16...(5) Violated in 3 structures by 0.02 A. Peak 3800 from cnoeabs.peaks (4.33, 3.53, 39.64 ppm; 4.85 A): 1 out of 3 assignments used, quality = 0.98: * HA LYS 49 + HB3 PHE 52 OK 98 100 100 98 2.9-4.9 3798/1.8=72...(9) HA ASN 54 - HB3 PHE 52 far 0 65 0 - 8.1-8.3 HA LYS 22 - HB3 PHE 52 far 0 76 0 - 9.0-10.7 Violated in 2 structures by 0.01 A. Peak 3802 from cnoeabs.peaks (8.94, 3.77, 64.05 ppm; 5.15 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 52 + HA ILE 50 OK 100 100 100 100 4.4-5.0 901/3.6=83, 259/3803=77...(6) Violated in 0 structures by 0.00 A. Peak 3803 from cnoeabs.peaks (8.03, 3.77, 64.05 ppm; 4.09 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 53 + HA ILE 50 OK 100 100 100 100 3.3-3.7 751/3806=65, 750/3805=62...(13) H GLN 47 - HA ILE 50 far 0 87 0 - 7.3-7.9 Violated in 0 structures by 0.00 A. Peak 3804 from cnoeabs.peaks (2.15, 3.77, 64.05 ppm; 3.40 A): 2 out of 3 assignments used, quality = 1.00: * HB2 GLN 53 + HA ILE 50 OK 99 100 100 99 2.0-2.8 3805=68, 1.8/3806=65...(13) HB2 LYS 49 + HA ILE 50 OK 64 76 100 85 3.7-4.7 3534/3.0=29, ~235=27...(12) HB VAL 48 - HA ILE 50 far 0 93 0 - 7.7-8.0 Violated in 0 structures by 0.00 A. Peak 3805 from cnoeabs.peaks (3.77, 2.15, 28.54 ppm; 3.87 A): 1 out of 7 assignments used, quality = 1.00: * HA ILE 50 + HB2 GLN 53 OK 100 100 100 100 2.0-2.8 3806/1.8=80, 3804=61...(13) HA PHE 52 - HB2 GLN 53 far 0 89 0 - 5.6-5.9 HA GLN 15 - HB3 LYS 42 far 0 64 0 - 6.9-8.4 HA PHE 52 - HB2 GLU 20 far 0 37 0 - 8.3-9.8 HA GLN 15 - HB2 GLU 20 far 0 33 0 - 8.5-10.7 HA2 GLY 69 - HB2 GLN 53 far 0 63 0 - 9.6-31.7 HA3 GLY 69 - HB2 GLN 53 far 0 65 0 - 9.8-30.2 Violated in 0 structures by 0.00 A. Peak 3806 from cnoeabs.peaks (2.22, 3.77, 64.05 ppm; 3.65 A): 1 out of 3 assignments used, quality = 1.00: * HB3 GLN 53 + HA ILE 50 OK 100 100 100 100 3.3-4.2 3807=78, 1.8/3805=67...(10) HG2 ARG 56 - HA ILE 50 far 0 83 0 - 8.2-11.2 HG3 GLU 67 - HA ILE 50 far 0 65 0 - 9.4-27.9 Violated in 12 structures by 0.09 A. Peak 3807 from cnoeabs.peaks (3.77, 2.22, 28.54 ppm; 3.96 A): 1 out of 3 assignments used, quality = 1.00: * HA ILE 50 + HB3 GLN 53 OK 100 100 100 100 3.3-4.2 3806=100, 3805/1.8=77...(10) HA PHE 52 - HB3 GLN 53 far 0 89 0 - 5.9-6.6 HA2 GLY 69 - HB3 GLN 53 far 0 63 0 - 9.9-30.5 Violated in 2 structures by 0.01 A. Peak 3808 from cnoeabs.peaks (8.29, 3.77, 64.05 ppm; 4.34 A): 2 out of 2 assignments used, quality = 1.00: * H ASN 54 + HA ILE 50 OK 100 100 100 100 3.5-4.0 267/3805=65, 268/3806=65...(13) H TRP 51 + HA ILE 50 OK 60 60 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 3810 from cnoeabs.peaks (8.29, 4.02, 63.12 ppm; 4.13 A): 2 out of 4 assignments used, quality = 1.00: * H ASN 54 + HA TRP 51 OK 100 100 100 100 3.7-4.0 1047=80, 759/3813=57...(8) H TRP 51 + HA TRP 51 OK 60 60 100 100 2.7-2.8 2.9=100 H LYS 62 - HA TRP 51 far 0 99 0 - 9.2-19.6 H SER 66 - HA TRP 51 far 0 93 0 - 9.4-24.9 Violated in 0 structures by 0.00 A. Peak 3811 from cnoeabs.peaks (2.48, 4.02, 63.12 ppm; 4.84 A): 1 out of 4 assignments used, quality = 1.00: * HB2 ASN 54 + HA TRP 51 OK 100 100 100 100 4.2-5.5 3812=100, 1.8/3813=92...(7) HG3 MET 11 - HA TRP 51 far 0 98 0 - 6.9-10.0 HG2 GLU 20 - HA TRP 51 far 0 96 0 - 8.3-11.3 HG3 GLN 15 - HA TRP 51 far 0 97 0 - 9.2-12.9 Violated in 2 structures by 0.03 A. Peak 3812 from cnoeabs.peaks (4.02, 2.48, 37.68 ppm; 4.60 A): 1 out of 1 assignment used, quality = 1.00: * HA TRP 51 + HB2 ASN 54 OK 100 100 100 100 4.2-5.5 3813/1.8=87, 3811=86...(7) Violated in 8 structures by 0.09 A. Peak 3813 from cnoeabs.peaks (2.65, 4.02, 63.12 ppm; 4.22 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 54 + HA TRP 51 OK 100 100 100 100 2.9-4.8 3814=99, 1.8/3812=67...(7) Violated in 2 structures by 0.04 A. Peak 3814 from cnoeabs.peaks (4.02, 2.65, 37.68 ppm; 4.24 A): 1 out of 1 assignment used, quality = 1.00: * HA TRP 51 + HB3 ASN 54 OK 100 100 100 100 2.9-4.8 3813=100, 3812/1.8=68...(7) Violated in 2 structures by 0.04 A. Peak 3815 from cnoeabs.peaks (8.07, 4.02, 63.12 ppm; 4.93 A): 1 out of 2 assignments used, quality = 0.97: * H ARG 55 + HA TRP 51 OK 97 100 100 97 3.4-4.4 904/1047=70, 276/3813=67...(4) H GLN 47 - HA TRP 51 far 0 76 0 - 8.4-9.2 Violated in 0 structures by 0.00 A. Peak 3817 from cnoeabs.peaks (8.07, 3.76, 63.31 ppm; 4.27 A): 1 out of 1 assignment used, quality = 0.99: * H ARG 55 + HA PHE 52 OK 99 100 100 99 3.6-4.5 1052=94, 764/3818=56...(6) Violated in 2 structures by 0.01 A. Peak 3818 from cnoeabs.peaks (0.65, 3.76, 63.31 ppm; 4.11 A): 1 out of 3 assignments used, quality = 0.95: * HB2 ARG 55 + HA PHE 52 OK 95 100 100 95 2.5-4.7 3819=53, 764/3817=50...(9) HG2 LYS 27 - HA PHE 52 far 0 87 0 - 7.6-10.6 QD1 LEU 43 - HA PHE 52 far 0 100 0 - 7.8-9.6 Violated in 3 structures by 0.04 A. Peak 3819 from cnoeabs.peaks (3.76, 0.65, 28.41 ppm; 5.07 A): 1 out of 2 assignments used, quality = 1.00: * HA PHE 52 + HB2 ARG 55 OK 100 100 100 100 2.5-4.7 3818=100, 3817/764=72...(9) HA ILE 50 - HB2 ARG 55 far 0 89 0 - 7.3-9.4 Violated in 0 structures by 0.00 A. Peak 3820 from cnoeabs.peaks (-0.28, 3.76, 63.31 ppm; 4.45 A): 2 out of 3 assignments used, quality = 1.00: * HB3 ARG 55 + HA PHE 52 OK 97 100 100 97 2.4-4.7 1.8/3818=86, 4.0/3817=54...(8) HG2 ARG 55 + HA PHE 52 OK 94 100 100 94 3.2-4.5 3.0/3818=69, 5.1/3817=42...(9) QD1 LEU 19 - HA PHE 52 far 0 100 0 - 6.1-6.8 Violated in 0 structures by 0.00 A. Peak 3822 from cnoeabs.peaks (7.75, 3.76, 63.31 ppm; 3.98 A): 2 out of 3 assignments used, quality = 1.00: QD PHE 52 + HA PHE 52 OK 100 100 100 100 2.7-3.0 3.7=100 * H ARG 56 + HA PHE 52 OK 88 100 100 88 3.6-4.6 279/3817=48, 281/3818=42...(11) H THR 59 - HA PHE 52 far 0 78 0 - 8.2-9.3 Violated in 0 structures by 0.00 A. Peak 3823 from cnoeabs.peaks (8.07, 3.94, 59.15 ppm; 4.29 A): 1 out of 1 assignment used, quality = 0.89: * H ARG 55 + HA GLN 53 OK 89 100 100 89 3.9-5.1 904/3.6=69, 279/1057=47 Violated in 13 structures by 0.22 A. Peak 3824 from cnoeabs.peaks (7.75, 3.94, 59.15 ppm; 4.62 A): 2 out of 3 assignments used, quality = 1.00: * H ARG 56 + HA GLN 53 OK 100 100 100 100 3.3-4.2 1057=88, 279/3823=63...(8) QD PHE 52 + HA GLN 53 OK 69 100 100 69 5.8-5.9 ~3558=39, ~262=27...(6) H THR 59 - HA GLN 53 far 0 78 0 - 7.5-8.7 Violated in 0 structures by 0.00 A. Peak 3825 from cnoeabs.peaks (1.72, 3.94, 59.15 ppm; 4.78 A): 1 out of 6 assignments used, quality = 1.00: * HB2 ARG 56 + HA GLN 53 OK 100 100 100 100 2.7-4.9 3826=99, 1.8/3827=87...(7) HD2 LYS 49 - HA GLN 53 poor 6 87 30 23 4.4-8.6 ~2413=7, ~2423=7...(5) HD3 LYS 49 - HA GLN 53 poor 5 85 25 23 5.2-9.2 ~2413=7, ~2423=7...(6) HB3 ARG 61 - HA GLN 53 far 0 99 0 - 7.7-17.9 HG13 ILE 50 - HA GLN 53 far 0 60 0 - 7.8-9.2 HB3 LYS 58 - HA GLN 53 far 0 97 0 - 8.0-9.8 Violated in 1 structures by 0.01 A. Peak 3826 from cnoeabs.peaks (3.94, 1.72, 31.63 ppm; 4.79 A): 1 out of 3 assignments used, quality = 1.00: * HA GLN 53 + HB2 ARG 56 OK 100 100 100 100 2.7-4.9 3825=90, 3827/1.8=87...(7) HB2 SER 65 - HB2 ARG 56 far 0 99 0 - 7.8-21.0 HB2 SER 66 - HB2 ARG 56 far 0 100 0 - 8.6-18.9 Violated in 1 structures by 0.00 A. Peak 3827 from cnoeabs.peaks (2.04, 3.94, 59.15 ppm; 4.44 A): 1 out of 1 assignment used, quality = 0.99: * HB3 ARG 56 + HA GLN 53 OK 99 100 100 99 2.5-5.2 3828=87, 1.8/3826=69...(9) Violated in 1 structures by 0.04 A. Peak 3828 from cnoeabs.peaks (3.94, 2.04, 31.63 ppm; 4.65 A): 1 out of 5 assignments used, quality = 1.00: * HA GLN 53 + HB3 ARG 56 OK 100 100 100 100 2.5-5.2 3827=100, 3826/1.8=76...(9) HB2 SER 65 - HB3 ARG 56 far 0 99 0 - 8.6-21.2 HD2 PRO 32 - HB2 GLN 26 far 0 44 0 - 9.7-12.3 HD2 PRO 32 - HB3 GLN 26 far 0 44 0 - 9.8-12.4 HB2 SER 66 - HB3 ARG 56 far 0 100 0 - 9.9-19.5 Violated in 1 structures by 0.03 A. Peak 3829 from cnoeabs.peaks (7.56, 3.94, 59.15 ppm; 5.18 A): 1 out of 1 assignment used, quality = 0.98: * H TYR 57 + HA GLN 53 OK 98 100 100 98 3.8-5.1 290/3827=73, 906/1057=65...(4) Violated in 0 structures by 0.00 A. Peak 3831 from cnoeabs.peaks (7.56, 4.36, 55.11 ppm; 4.52 A): 1 out of 4 assignments used, quality = 1.00: * H TYR 57 + HA ASN 54 OK 100 100 100 100 3.2-3.8 1062=100, 781/3834=71...(6) H TYR 57 - HA LEU 64 far 0 60 0 - 7.6-20.7 H TYR 57 - HA LEU 68 far 0 88 0 - 8.3-24.1 H GLU 18 - HA LEU 64 far 0 53 0 - 8.3-31.9 Violated in 0 structures by 0.00 A. Peak 3832 from cnoeabs.peaks (3.09, 4.36, 55.11 ppm; 4.05 A): 1 out of 7 assignments used, quality = 1.00: * HB2 TYR 57 + HA ASN 54 OK 100 100 100 100 2.2-4.4 3833=82, 1.8/3834=80...(6) HB2 TYR 57 - HA LEU 68 far 0 88 0 - 6.0-25.5 HB3 HIS 10 - HA LEU 68 far 0 81 0 - 7.7-39.5 HB2 TYR 57 - HA LEU 64 far 0 60 0 - 7.9-21.1 HB3 PHE 23 - HA LEU 64 far 0 50 0 - 8.3-25.2 HB3 HIS 10 - HA LEU 64 far 0 53 0 - 8.6-33.0 HB3 HIS 10 - HA ASN 54 far 0 96 0 - 9.6-17.4 Violated in 1 structures by 0.02 A. Peak 3833 from cnoeabs.peaks (4.36, 3.09, 37.92 ppm; 4.32 A): 1 out of 3 assignments used, quality = 1.00: * HA ASN 54 + HB2 TYR 57 OK 100 100 100 100 2.2-4.4 3832=100, 3834/1.8=87...(6) HA LEU 68 - HB2 TYR 57 far 0 99 0 - 6.0-25.5 HA LEU 64 - HB2 TYR 57 far 0 85 0 - 7.9-21.1 Violated in 1 structures by 0.01 A. Peak 3834 from cnoeabs.peaks (3.17, 4.36, 55.11 ppm; 3.88 A): 1 out of 9 assignments used, quality = 1.00: * HB3 TYR 57 + HA ASN 54 OK 100 100 100 100 2.5-4.1 3835=80, 2.5/4709=72...(6) HD2 ARG 61 - HA LEU 68 far 0 56 0 - 6.2-23.3 HB3 TYR 57 - HA LEU 64 far 0 60 0 - 6.4-22.5 HB3 TYR 57 - HA LEU 68 far 0 88 0 - 6.5-24.8 HD3 ARG 61 - HA LEU 68 far 0 56 0 - 7.5-23.4 HD3 ARG 61 - HA LEU 64 far 0 35 0 - 7.9-13.7 HD2 ARG 61 - HA LEU 64 far 0 35 0 - 8.6-13.7 HD2 ARG 61 - HA ASN 54 far 0 71 0 - 8.8-19.4 HB2 PHE 23 - HA LEU 64 far 0 53 0 - 8.9-24.6 Violated in 2 structures by 0.01 A. Peak 3835 from cnoeabs.peaks (4.36, 3.17, 37.92 ppm; 4.17 A): 1 out of 3 assignments used, quality = 1.00: * HA ASN 54 + HB3 TYR 57 OK 100 100 100 100 2.5-4.1 3834=100, 4709/2.5=80...(6) HA LEU 64 - HB3 TYR 57 far 0 85 0 - 6.4-22.5 HA LEU 68 - HB3 TYR 57 far 0 99 0 - 6.5-24.8 Violated in 0 structures by 0.00 A. Peak 3836 from cnoeabs.peaks (7.68, 4.36, 55.11 ppm; 5.06 A): 1 out of 3 assignments used, quality = 0.99: * H LYS 58 + HA ASN 54 OK 99 100 100 99 3.8-6.1 907/1062=75, 298/3834=72...(4) H LYS 58 - HA LEU 68 far 0 88 0 - 7.5-24.1 H LYS 58 - HA LEU 64 far 0 60 0 - 7.9-18.7 Violated in 9 structures by 0.18 A. Peak 3838 from cnoeabs.peaks (7.68, 3.43, 56.09 ppm; 5.19 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 58 + HA ARG 55 OK 100 100 100 100 3.5-4.3 1066=100, 787/3841=75...(7) Violated in 0 structures by 0.00 A. Peak 3839 from cnoeabs.peaks (1.80, 3.43, 56.09 ppm; 4.83 A): 1 out of 5 assignments used, quality = 0.75: * HB2 LYS 58 + HA ARG 55 OK 75 100 75 100 3.7-6.6 1.8/3841=86, 3840=82...(6) HB3 LYS 60 - HA ARG 55 far 11 73 15 - 4.0-12.3 HB2 LYS 62 - HA ARG 55 far 3 68 5 - 5.8-18.3 HB3 LYS 62 - HA ARG 55 far 3 65 5 - 6.2-17.2 HB2 ARG 61 - HA ARG 55 far 0 98 0 - 7.3-14.5 Violated in 15 structures by 0.64 A. Peak 3840 from cnoeabs.peaks (3.43, 1.80, 32.42 ppm; 5.16 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 55 + HB2 LYS 58 OK 100 100 100 100 3.7-6.6 3839=100, 3841/1.8=92...(6) Violated in 8 structures by 0.47 A. Peak 3841 from cnoeabs.peaks (1.73, 3.43, 56.09 ppm; 4.46 A): 1 out of 3 assignments used, quality = 0.98: * HB3 LYS 58 + HA ARG 55 OK 98 100 100 98 3.1-4.8 1.8/3839=69, 3842=56...(7) HB2 ARG 56 - HA ARG 55 lone 2 97 35 6 5.5-6.6 2745/3569=5 HB3 ARG 61 - HA ARG 55 far 0 100 0 - 7.7-14.9 Violated in 5 structures by 0.08 A. Peak 3842 from cnoeabs.peaks (3.43, 1.73, 32.42 ppm; 5.42 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 55 + HB3 LYS 58 OK 100 100 100 100 3.1-4.8 3841=98, 3839/1.8=92...(7) Violated in 0 structures by 0.00 A. Peak 3843 from cnoeabs.peaks (7.68, 4.08, 59.51 ppm; 3.84 A): 1 out of 1 assignment used, quality = 0.92: * H LYS 58 + HA ARG 56 OK 92 100 100 92 3.9-4.1 1064=61, 907/3.6=53...(5) Violated in 20 structures by 0.16 A. Peak 4002 from cnoeabs.peaks (1.08, 3.81, 65.62 ppm; 4.00 A): 1 out of 1 assignment used, quality = 1.00: HG12 ILE 17 + HA THR 14 OK 100 100 100 100 2.3-4.1 4077=77, 2.1/4004=77...(12) Violated in 2 structures by 0.01 A. Peak 4003 from cnoeabs.peaks (0.80, 3.81, 65.62 ppm; 4.39 A): 1 out of 1 assignment used, quality = 0.97: QG2 ILE 17 + HA THR 14 OK 97 97 100 100 4.0-4.6 2.1/3667=90, 4075=88...(13) Violated in 8 structures by 0.04 A. Peak 4004 from cnoeabs.peaks (0.69, 3.81, 65.62 ppm; 3.73 A): 1 out of 3 assignments used, quality = 0.99: QD1 ILE 17 + HA THR 14 OK 99 99 100 100 1.9-3.6 4081=97, 2.1/4002=62...(12) QD1 LEU 41 - HA THR 14 far 0 71 0 - 5.5-8.0 HB2 LEU 19 - HA THR 14 far 0 92 0 - 8.4-10.3 Violated in 0 structures by 0.00 A. Peak 4005 from cnoeabs.peaks (1.36, 3.81, 65.62 ppm; 4.41 A): 1 out of 1 assignment used, quality = 0.85: HG13 ILE 17 + HA THR 14 OK 85 85 100 100 2.1-4.5 2.1/4004=87, 1.8/4002=87...(12) Violated in 2 structures by 0.00 A. Peak 4006 from cnoeabs.peaks (2.51, 4.04, 68.52 ppm; 4.61 A): 2 out of 4 assignments used, quality = 0.92: HB2 GLN 15 + HB THR 14 OK 89 100 100 89 4.1-5.7 4.0/3358=62, 2.9/1137=33...(6) HG3 GLN 15 + HB THR 14 OK 29 76 50 75 3.9-6.9 5.0/3358=49, 3.8/1137=28...(5) HG3 MET 11 - HB THR 14 far 0 73 0 - 8.7-10.9 HG3 MET 11 - HB THR 46 far 0 31 0 - 9.6-12.0 Violated in 7 structures by 0.03 A. Peak 4007 from cnoeabs.peaks (0.80, 4.04, 68.52 ppm; 5.19 A): 2 out of 2 assignments used, quality = 0.97: QG2 ILE 17 + HB THR 14 OK 95 100 95 100 5.9-6.7 4071/2.1=95, 4075/3.0=81...(13) QD1 ILE 50 + HB THR 46 OK 48 51 100 95 4.3-6.2 4538/2.1=83, ~4537=50...(4) Violated in 9 structures by 0.13 A. Peak 4009 from cnoeabs.peaks (2.28, 1.21, 21.82 ppm; 4.23 A): 2 out of 2 assignments used, quality = 0.99: HG2 GLU 18 + QG2 THR 14 OK 99 100 100 99 3.0-5.0 4090=81, 1.8/4010=77...(10) HG2 GLN 15 + QG2 THR 14 OK 20 81 35 72 3.8-7.1 1168/4.0=34, ~4006=26...(7) Violated in 4 structures by 0.00 A. Peak 4010 from cnoeabs.peaks (2.40, 1.21, 21.82 ppm; 4.20 A): 1 out of 3 assignments used, quality = 0.95: HG3 GLU 18 + QG2 THR 14 OK 95 97 100 98 2.7-5.5 4092=68, 1.8/4090=67...(10) HG3 GLU 20 - QG2 THR 14 far 0 68 0 - 7.2-9.1 HG2 MET 11 - QG2 THR 14 far 0 97 0 - 8.2-10.8 Violated in 7 structures by 0.20 A. Peak 4011 from cnoeabs.peaks (0.71, 1.21, 21.82 ppm; 3.89 A): 2 out of 3 assignments used, quality = 0.96: QD1 ILE 17 + QG2 THR 14 OK 95 96 100 100 1.9-4.7 4079=62, 4081/3.2=54...(14) QD1 LEU 41 + QG2 THR 14 OK 24 99 35 68 3.8-7.1 2.1/4452=29...(9) HB2 LEU 19 - QG2 THR 14 far 0 100 0 - 8.0-9.8 Violated in 3 structures by 0.02 A. Peak 4013 from cnoeabs.peaks (9.37, 2.50, 28.07 ppm; 4.53 A): 1 out of 1 assignment used, quality = 0.93: H SER 12 + HB2 GLN 15 OK 93 93 100 99 2.2-5.1 4014/1.8=73, 4015/3.0=55...(10) Violated in 4 structures by 0.06 A. Peak 4014 from cnoeabs.peaks (9.37, 1.63, 28.07 ppm; 4.61 A): 1 out of 1 assignment used, quality = 1.00: H SER 12 + HB3 GLN 15 OK 100 100 100 100 2.5-5.8 4739=95, 4013/1.8=77...(9) Violated in 3 structures by 0.13 A. Peak 4015 from cnoeabs.peaks (9.37, 2.48, 35.21 ppm; 4.89 A): 1 out of 1 assignment used, quality = 1.00: H SER 12 + HG3 GLN 15 OK 100 100 100 100 1.9-4.8 4014/3.0=71, 4013/3.0=69...(12) Violated in 0 structures by 0.00 A. Peak 4019 from cnoeabs.peaks (0.74, 3.79, 59.35 ppm; 3.51 A): 2 out of 2 assignments used, quality = 0.99: QD2 LEU 41 + HA GLN 15 OK 97 98 100 99 3.1-4.6 4446=81, 2.1/4454=38...(18) QD1 LEU 41 + HA GLN 15 OK 76 81 100 95 1.9-4.5 2.1/4446=62, 4454=29...(19) Violated in 0 structures by 0.00 A. Peak 4020 from cnoeabs.peaks (1.02, 2.50, 28.07 ppm; 5.13 A): 2 out of 3 assignments used, quality = 0.99: QG2 VAL 16 + HB2 GLN 15 OK 96 100 100 96 4.7-6.0 1194/3361=78...(7) QG1 VAL 16 + HB2 GLN 15 OK 76 92 95 87 5.3-6.8 4.0/3361=67, 4016/4.0=31...(6) QG1 VAL 48 - HB2 GLN 15 far 0 81 0 - 7.5-11.0 Violated in 5 structures by 0.04 A. Peak 4021 from cnoeabs.peaks (0.65, 2.50, 28.07 ppm; 5.04 A): 1 out of 1 assignment used, quality = 0.99: QD1 LEU 43 + HB2 GLN 15 OK 99 100 100 100 2.4-6.0 4023/1.8=76, 4030/3.0=61...(10) Violated in 8 structures by 0.23 A. Peak 4022 from cnoeabs.peaks (1.98, 2.50, 28.07 ppm; 4.53 A): 2 out of 5 assignments used, quality = 0.99: HB2 MET 11 + HB2 GLN 15 OK 96 96 100 100 3.1-5.6 4711/1.8=79, ~4714=52...(20) HB2 GLU 18 + HB2 GLN 15 OK 70 97 75 97 4.3-6.2 3674/2.9=37, ~4096=27...(15) HB3 GLU 18 - HB2 GLN 15 far 14 97 15 - 5.7-7.8 HD3 LYS 22 - HB2 GLN 15 far 0 73 0 - 9.2-14.3 HB2 ARG 21 - HB2 GLN 15 far 0 87 0 - 9.7-11.4 Violated in 1 structures by 0.02 A. Peak 4023 from cnoeabs.peaks (0.66, 1.63, 28.07 ppm; 4.75 A): 1 out of 1 assignment used, quality = 0.93: QD1 LEU 43 + HB3 GLN 15 OK 93 99 95 99 3.6-6.3 4026/3.0=67, 4021/1.8=64...(9) Violated in 9 structures by 0.29 A. Peak 4024 from cnoeabs.peaks (1.44, 2.30, 35.21 ppm; 4.17 A): 1 out of 1 assignment used, quality = 0.92: HB3 LEU 41 + HG2 GLN 15 OK 92 97 95 100 2.6-5.8 4028/1.8=71, 1.8/4442=66...(23) Violated in 9 structures by 0.27 A. Peak 4025 from cnoeabs.peaks (0.73, 2.30, 35.21 ppm; 3.77 A): 2 out of 3 assignments used, quality = 0.98: QD1 LEU 41 + HG2 GLN 15 OK 91 92 100 99 1.9-4.6 3.1/4024=49, 3.1/4442=42...(25) QD2 LEU 41 + HG2 GLN 15 OK 78 92 85 99 2.7-5.9 3.1/4024=49, 3.1/4442=42...(24) HB2 LEU 19 - HG2 GLN 15 far 4 71 5 - 5.1-9.4 Violated in 1 structures by 0.02 A. Peak 4026 from cnoeabs.peaks (0.67, 2.30, 35.21 ppm; 4.64 A): 1 out of 1 assignment used, quality = 0.96: QD1 LEU 43 + HG2 GLN 15 OK 96 96 100 100 2.5-5.7 4030/1.8=63, 4023/3.0=62...(16) Violated in 5 structures by 0.14 A. Peak 4027 from cnoeabs.peaks (0.72, 1.63, 28.07 ppm; 4.87 A): 2 out of 4 assignments used, quality = 1.00: QD1 LEU 41 + HB3 GLN 15 OK 100 100 100 100 2.6-5.0 4454/2.9=64, ~4446=56...(24) QD2 LEU 41 + HB3 GLN 15 OK 60 63 95 100 2.8-6.5 ~4454=43, 4446/2.9=42...(22) HB2 LEU 19 - HB3 GLN 15 far 14 96 15 - 6.0-9.2 QD1 ILE 17 - HB3 GLN 15 far 4 81 5 - 6.3-7.5 Violated in 0 structures by 0.00 A. Peak 4028 from cnoeabs.peaks (1.44, 2.48, 35.21 ppm; 4.38 A): 1 out of 2 assignments used, quality = 0.93: HB3 LEU 41 + HG3 GLN 15 OK 93 97 95 100 2.8-6.0 4024/1.8=82, ~4442=54...(27) HG2 LYS 62 - HG3 GLN 15 far 0 100 0 - 10.0-30.9 Violated in 14 structures by 0.55 A. Peak 4029 from cnoeabs.peaks (0.75, 2.48, 35.21 ppm; 4.50 A): 2 out of 2 assignments used, quality = 0.93: QD2 LEU 41 + HG3 GLN 15 OK 80 100 80 100 3.5-6.5 4446/1177=65...(24) QD1 LEU 41 + HG3 GLN 15 OK 63 63 100 100 1.9-5.1 3.1/4028=64, ~4024=46...(27) Violated in 3 structures by 0.03 A. Peak 4030 from cnoeabs.peaks (0.66, 2.48, 35.21 ppm; 5.22 A): 1 out of 1 assignment used, quality = 1.00: QD1 LEU 43 + HG3 GLN 15 OK 100 100 100 100 2.6-5.7 4026/1.8=89, 4023/3.0=76...(20) Violated in 3 structures by 0.05 A. Peak 4042 from cnoeabs.peaks (7.54, 3.23, 67.30 ppm; 5.19 A): 1 out of 2 assignments used, quality = 0.93: H GLU 18 + HA VAL 16 OK 93 93 100 100 4.2-4.8 869/28=83, 932/3.0=77...(9) QE PHE 52 - HA VAL 16 far 5 98 5 - 6.7-7.7 Violated in 0 structures by 0.00 A. Peak 4043 from cnoeabs.peaks (7.24, 1.03, 21.88 ppm; 4.20 A): 1 out of 1 assignment used, quality = 0.99: HZ2 TRP 51 + QG1 VAL 16 OK 99 99 100 100 2.8-3.8 2.8/4048=61, 4690=61...(15) Violated in 0 structures by 0.00 A. Peak 4044 from cnoeabs.peaks (7.14, 1.03, 21.88 ppm; 5.03 A): 2 out of 2 assignments used, quality = 1.00: HD1 TRP 51 + QG1 VAL 16 OK 100 100 100 100 5.6-6.4 4678/2.1=93, 2.6/4048=84...(9) HD2 HIS 13 + QG1 VAL 16 OK 51 81 100 64 3.3-5.7 4.6/4052=47...(3) Violated in 1 structures by 0.01 A. Peak 4045 from cnoeabs.peaks (7.26, 1.01, 23.28 ppm; 4.94 A): 1 out of 3 assignments used, quality = 0.96: HZ2 TRP 51 + QG2 VAL 16 OK 96 96 100 100 2.0-3.8 2.8/4047=78, 4727/3.2=67...(17) HZ2 TRP 51 - QG1 VAL 48 far 0 45 0 - 7.5-8.3 HD21 ASN 40 - QG1 VAL 48 far 0 26 0 - 7.9-9.4 Violated in 0 structures by 0.00 A. Peak 4046 from cnoeabs.peaks (7.14, 1.01, 23.28 ppm; 4.74 A): 1 out of 4 assignments used, quality = 1.00: HD1 TRP 51 + QG2 VAL 16 OK 100 100 100 100 3.6-4.1 4678=99, 2.6/4047=76...(12) HD2 HIS 13 - QG2 VAL 16 poor 18 90 30 65 5.7-7.8 4.6/4050=50, 4044/2.1=23 QD TYR 28 - QG1 VAL 48 far 7 47 15 - 6.0-7.9 HD1 TRP 51 - QG1 VAL 48 far 3 50 5 - 6.2-7.2 Violated in 0 structures by 0.00 A. Peak 4047 from cnoeabs.peaks (9.95, 1.01, 23.28 ppm; 4.41 A): 1 out of 2 assignments used, quality = 1.00: HE1 TRP 51 + QG2 VAL 16 OK 100 100 100 100 1.9-2.7 2.6/4678=74, 4048/2.1=72...(16) HE1 TRP 51 - QG1 VAL 48 far 0 51 0 - 7.2-8.2 Violated in 0 structures by 0.00 A. Peak 4048 from cnoeabs.peaks (9.96, 1.03, 21.88 ppm; 4.33 A): 1 out of 1 assignment used, quality = 0.97: HE1 TRP 51 + QG1 VAL 16 OK 97 97 100 100 3.5-4.4 4047/2.1=68, 2.8/4043=66...(15) Violated in 2 structures by 0.01 A. Peak 4050 from cnoeabs.peaks (4.37, 1.01, 23.28 ppm; 4.00 A): 1 out of 9 assignments used, quality = 0.99: HA HIS 13 + QG2 VAL 16 OK 99 100 100 99 4.1-5.2 3662/2.1=82...(7) HB2 SER 12 - QG2 VAL 16 poor 13 100 25 52 5.0-7.6 930/1194=24, 1793/4712=9...(8) HA LEU 68 - QG2 VAL 16 far 0 98 0 - 5.9-27.6 HA LEU 64 - QG2 VAL 16 far 0 100 0 - 6.4-23.6 HA LYS 22 - QG1 VAL 48 far 0 35 0 - 6.5-7.6 HA PRO 32 - QG1 VAL 48 far 0 48 0 - 8.4-9.5 HA ASN 40 - QG1 VAL 48 far 0 51 0 - 8.8-10.2 HA ASN 54 - QG2 VAL 16 far 0 89 0 - 9.3-10.6 HA ASN 54 - QG1 VAL 48 far 0 40 0 - 9.9-10.3 Violated in 20 structures by 0.46 A. Peak 4051 from cnoeabs.peaks (3.67, 1.03, 21.88 ppm; 4.37 A): 1 out of 1 assignment used, quality = 0.96: HA ILE 17 + QG1 VAL 16 OK 96 97 100 100 2.8-2.9 4763/2.1=63, ~29=48...(15) Violated in 0 structures by 0.00 A. Peak 4052 from cnoeabs.peaks (4.38, 1.03, 21.88 ppm; 4.69 A): 1 out of 5 assignments used, quality = 1.00: HA HIS 13 + QG1 VAL 16 OK 100 100 100 100 3.2-4.4 3662/2.1=95, 4050/2.1=78...(7) HB2 SER 12 - QG1 VAL 16 poor 15 100 30 51 5.5-7.7 930/1199=27, 924/4016=11...(5) HA LEU 64 - QG1 VAL 16 far 15 100 15 - 5.0-23.9 HA LEU 68 - QG1 VAL 16 far 0 95 0 - 6.3-27.7 HA LYS 22 - QG1 VAL 16 far 0 71 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 4057 from cnoeabs.peaks (1.23, 3.23, 67.30 ppm; 5.07 A): 1 out of 3 assignments used, quality = 0.99: HG LEU 19 + HA VAL 16 OK 99 99 100 100 3.1-4.1 2.1/4769=97, 4112=94...(15) QG2 THR 14 - HA VAL 16 far 0 71 0 - 6.6-7.2 HB2 LEU 43 - HA VAL 16 far 0 99 0 - 8.2-9.4 Violated in 0 structures by 0.00 A. Peak 4058 from cnoeabs.peaks (2.41, 1.03, 21.88 ppm; 3.90 A): 1 out of 4 assignments used, quality = 0.89: HG3 GLU 20 + QG1 VAL 16 OK 89 96 100 93 2.6-3.9 4764=39, 4133/4043=34...(13) HD2 ARG 55 - QG1 VAL 16 far 15 100 15 - 4.6-8.1 HG3 GLU 18 - QG1 VAL 16 far 0 100 0 - 5.9-7.5 HG2 MET 11 - QG1 VAL 16 far 0 71 0 - 6.3-8.0 Violated in 1 structures by 0.00 A. Peak 4059 from cnoeabs.peaks (2.45, 1.03, 21.88 ppm; 3.90 A): 2 out of 3 assignments used, quality = 0.96: HG2 GLU 20 + QG1 VAL 16 OK 92 96 100 96 2.6-5.0 4688/4043=48...(11) HG3 GLU 20 + QG1 VAL 16 OK 49 63 100 77 2.6-3.9 ~4124=25, 4133/4043=18...(10) HB2 ASN 54 - QG1 VAL 16 far 0 73 0 - 9.0-11.1 Violated in 0 structures by 0.00 A. Peak 4060 from cnoeabs.peaks (1.96, 1.03, 21.88 ppm; 4.34 A): 1 out of 5 assignments used, quality = 0.37: HD3 ARG 55 + QG1 VAL 16 OK 37 95 40 97 4.7-7.1 4064/2.1=64...(7) HB2 ARG 21 - QG1 VAL 16 far 0 99 0 - 7.2-8.2 HB3 ARG 21 - QG1 VAL 16 far 0 97 0 - 8.4-9.3 HB3 GLU 67 - QG1 VAL 16 far 0 100 0 - 8.6-23.5 HD3 LYS 22 - QG1 VAL 16 far 0 100 0 - 9.0-12.0 Violated in 20 structures by 1.69 A. Peak 4061 from cnoeabs.peaks (1.82, 1.03, 21.88 ppm; 4.78 A): 2 out of 8 assignments used, quality = 0.99: HB ILE 17 + QG1 VAL 16 OK 92 93 100 99 4.0-4.4 3.0/4051=72, 521/4.3=71...(8) HB3 MET 11 + QG1 VAL 16 OK 87 97 90 100 5.1-7.0 4715/2.1=90, ~4712=72...(8) HB2 LYS 62 - QG1 VAL 16 far 5 100 5 - 5.0-22.6 HB2 ARG 61 - QG1 VAL 16 far 5 95 5 - 5.1-19.3 HB2 LYS 60 - QG1 VAL 16 far 0 97 0 - 7.8-17.4 HB3 GLN 47 - QG1 VAL 16 far 0 100 0 - 9.4-10.9 HB2 LYS 58 - QG1 VAL 16 far 0 78 0 - 9.8-13.6 HD2 LYS 22 - QG1 VAL 16 far 0 100 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 4063 from cnoeabs.peaks (0.69, 1.03, 21.88 ppm; 4.35 A): 2 out of 2 assignments used, quality = 0.98: QD1 ILE 17 + QG1 VAL 16 OK 88 97 100 91 2.0-4.1 4.2/4051=49, 1239/4.3=48...(7) HB2 LEU 19 + QG1 VAL 16 OK 83 83 100 100 3.9-5.8 3.1/4768=56...(19) Violated in 0 structures by 0.00 A. Peak 4064 from cnoeabs.peaks (1.96, 1.01, 23.28 ppm; 3.58 A): 2 out of 13 assignments used, quality = 0.67: HD3 ARG 55 + QG2 VAL 16 OK 58 98 65 91 3.7-5.6 4060/2.1=50...(8) HB2 ARG 34 + QG1 VAL 48 OK 22 31 80 90 4.1-5.4 3.0/4329=27, ~4339=23...(15) HD3 LYS 22 - QG1 VAL 48 far 3 51 5 - 4.9-7.7 HB ILE 50 - QG1 VAL 48 far 0 28 0 - 6.2-6.8 HD3 ARG 55 - QG1 VAL 48 far 0 48 0 - 6.9-8.8 HB3 GLU 67 - QG2 VAL 16 far 0 100 0 - 7.6-23.2 HB2 ARG 21 - QG1 VAL 48 far 0 50 0 - 7.8-8.9 HB2 ARG 21 - QG2 VAL 16 far 0 100 0 - 8.2-9.2 HB ILE 50 - QG2 VAL 16 far 0 68 0 - 8.4-9.0 HB3 ARG 21 - QG1 VAL 48 far 0 49 0 - 8.5-10.0 HG2 PRO 32 - QG1 VAL 48 far 0 37 0 - 9.0-11.4 HD3 LYS 22 - QG2 VAL 16 far 0 100 0 - 9.2-12.1 HB3 ARG 21 - QG2 VAL 16 far 0 99 0 - 9.5-10.5 Violated in 20 structures by 0.54 A. Peak 4065 from cnoeabs.peaks (1.83, 1.01, 23.28 ppm; 3.55 A): 2 out of 12 assignments used, quality = 0.96: HB3 MET 11 + QG2 VAL 16 OK 95 100 95 100 2.7-5.3 4715=92, 1.8/4712=70...(8) HB3 ARG 34 + QG1 VAL 48 OK 25 28 100 90 3.7-5.0 3.0/4329=27, ~4339=23...(15) HB2 LYS 62 - QG2 VAL 16 far 5 100 5 - 4.7-22.1 HB3 GLN 47 - QG1 VAL 48 far 0 49 0 - 5.9-6.2 HD2 LYS 22 - QG1 VAL 48 far 0 43 0 - 6.1-7.5 HB ILE 17 - QG2 VAL 16 far 0 100 0 - 6.3-6.4 HB2 ARG 61 - QG2 VAL 16 far 0 78 0 - 6.3-18.4 HB3 GLN 47 - QG2 VAL 16 far 0 99 0 - 7.1-8.5 HG2 ARG 21 - QG2 VAL 16 far 0 68 0 - 7.8-10.7 HB2 LYS 60 - QG2 VAL 16 far 0 100 0 - 7.8-17.5 HB3 MET 11 - QG1 VAL 48 far 0 51 0 - 8.1-10.5 HG2 ARG 21 - QG1 VAL 48 far 0 28 0 - 9.2-10.6 Violated in 6 structures by 0.03 A. Peak 4066 from cnoeabs.peaks (2.38, 1.01, 23.28 ppm; 4.86 A): 2 out of 14 assignments used, quality = 1.00: HG2 MET 11 + QG2 VAL 16 OK 99 99 100 100 4.0-5.8 4718=99, 1.8/4723=88...(6) HD2 ARG 55 + QG2 VAL 16 OK 48 65 80 92 4.3-6.7 1.8/4064=72, ~4060=64...(4) HB3 LYS 22 - QG1 VAL 48 poor 19 51 100 38 4.2-5.2 4151/2.1=15...(6) HG2 GLU 45 - QG1 VAL 48 poor 17 39 45 - 5.3-7.0 HG3 GLN 53 - QG1 VAL 48 far 0 45 0 - 6.7-9.6 HG2 MET 11 - QG1 VAL 48 far 0 49 0 - 6.7-10.4 HG3 GLU 18 - QG2 VAL 16 far 0 65 0 - 6.9-8.2 HG3 GLN 47 - QG1 VAL 48 far 0 32 0 - 7.1-7.6 HD2 ARG 55 - QG1 VAL 48 far 0 27 0 - 7.6-9.5 HG2 GLN 63 - QG2 VAL 16 far 0 78 0 - 7.8-22.3 HB3 LYS 22 - QG2 VAL 16 far 0 100 0 - 8.0-10.2 HG3 GLU 18 - QG1 VAL 48 far 0 27 0 - 8.1-10.5 HG3 GLN 63 - QG2 VAL 16 far 0 83 0 - 8.8-22.1 HG3 GLN 47 - QG2 VAL 16 far 0 76 0 - 9.0-10.6 Violated in 3 structures by 0.02 A. Peak 4067 from cnoeabs.peaks (2.49, 1.01, 23.28 ppm; 4.17 A): 4 out of 10 assignments used, quality = 0.98: HG3 MET 11 + QG2 VAL 16 OK 74 99 75 100 3.7-5.9 4723=81, 1.8/4718=71...(6) HB2 GLN 15 + QG2 VAL 16 OK 69 95 85 86 4.7-6.0 4.7/1194=51, 4020=27...(7) HG2 GLU 20 + QG2 VAL 16 OK 57 63 95 96 3.5-6.5 ~4058=54, 1.8/4123=39...(13) HG3 GLN 15 + QG2 VAL 16 OK 52 99 55 96 3.3-6.3 3364/1194=58...(8) HG3 MET 11 - QG1 VAL 48 far 0 49 0 - 7.1-9.8 HB2 ASN 54 - QG2 VAL 16 far 0 90 0 - 7.3-9.4 HG3 GLN 15 - QG1 VAL 48 far 0 49 0 - 7.4-11.2 HB2 GLN 15 - QG1 VAL 48 far 0 44 0 - 7.5-11.0 HG2 GLU 20 - QG1 VAL 48 far 0 26 0 - 7.8-9.9 HB2 ASN 54 - QG1 VAL 48 far 0 41 0 - 9.5-10.5 Violated in 1 structures by 0.00 A. Peak 4068 from cnoeabs.peaks (2.41, 3.69, 64.32 ppm; 4.77 A): 2 out of 5 assignments used, quality = 0.96: HG3 GLU 20 + HA ILE 17 OK 90 90 100 100 1.9-3.9 3.0/3689=83, 3.0/3686=78...(13) HG3 GLU 18 + HA ILE 17 OK 62 100 65 95 5.3-7.1 531/3.6=59, 4073/3.2=35...(11) HD2 ARG 55 - HA ILE 17 far 0 100 0 - 6.8-11.4 HB3 LYS 22 - HA ILE 17 far 0 65 0 - 7.8-10.1 HG2 MET 11 - HA ILE 17 far 0 81 0 - 8.9-12.1 Violated in 0 structures by 0.00 A. Peak 4069 from cnoeabs.peaks (2.41, 1.84, 37.27 ppm; 4.98 A): 2 out of 4 assignments used, quality = 0.99: HG3 GLU 18 + HB ILE 17 OK 97 99 100 97 3.2-5.3 4.9/3370=60...(10) HG3 GLU 20 + HB ILE 17 OK 82 97 85 99 4.7-6.6 ~4121=50, ~3689=45...(11) HG2 MET 11 - HB ILE 17 far 0 65 0 - 9.3-12.6 HD2 ARG 55 - HB ILE 17 far 0 99 0 - 9.8-13.7 Violated in 0 structures by 0.00 A. Peak 4070 from cnoeabs.peaks (1.21, 1.84, 37.27 ppm; 5.29 A): 1 out of 1 assignment used, quality = 1.00: QG2 THR 14 + HB ILE 17 OK 100 100 100 100 2.9-3.8 3.2/3667=92, 4071/2.1=83...(14) Violated in 0 structures by 0.00 A. Peak 4071 from cnoeabs.peaks (1.22, 0.81, 17.21 ppm; 4.03 A): 1 out of 2 assignments used, quality = 0.95: QG2 THR 14 + QG2 ILE 17 OK 95 96 100 99 3.4-4.4 3.2/4075=51...(15) HG LEU 19 - QG2 ILE 17 far 0 81 0 - 6.5-7.6 Violated in 12 structures by 0.10 A. Peak 4072 from cnoeabs.peaks (1.98, 0.81, 17.21 ppm; 4.19 A): 4 out of 8 assignments used, quality = 1.00: HB2 ARG 21 + QG2 ILE 17 OK 97 97 100 99 4.0-5.1 3.0/4807=54, 3.5/4137=50...(9) HB2 GLU 18 + QG2 ILE 17 OK 82 85 100 96 5.0-5.5 3.0/4076=63, 3.9/35=52...(11) HB3 GLU 18 + QG2 ILE 17 OK 69 85 85 95 5.3-5.7 3.0/4076=63, 3.9/35=52...(12) HB3 ARG 21 + QG2 ILE 17 OK 59 99 60 99 4.7-6.0 3.0/4806=54, 3.5/4137=50...(9) HB3 GLN 63 - QG2 ILE 17 far 0 83 0 - 6.3-23.5 HD3 LYS 22 - QG2 ILE 17 far 0 90 0 - 7.0-10.5 HB2 MET 11 - QG2 ILE 17 far 0 83 0 - 8.5-10.2 HD3 ARG 55 - QG2 ILE 17 far 0 100 0 - 9.0-10.5 Violated in 5 structures by 0.01 A. Peak 4073 from cnoeabs.peaks (2.41, 0.81, 17.21 ppm; 4.38 A): 2 out of 4 assignments used, quality = 0.99: HG3 GLU 20 + QG2 ILE 17 OK 93 96 100 97 3.2-5.4 57/4135=42, ~4121=37...(12) HG3 GLU 18 + QG2 ILE 17 OK 92 100 95 97 3.9-5.9 1251/4076=58, 531/35=46...(12) HD2 ARG 55 - QG2 ILE 17 far 0 100 0 - 7.7-11.8 HG2 MET 11 - QG2 ILE 17 far 0 71 0 - 9.3-12.1 Violated in 0 structures by 0.00 A. Peak 4074 from cnoeabs.peaks (3.22, 0.81, 17.21 ppm; 4.18 A): 2 out of 4 assignments used, quality = 0.99: HD3 ARG 21 + QG2 ILE 17 OK 95 96 100 100 2.7-4.4 4137=76, 1.8/4136=65...(14) HD2 ARG 21 + QG2 ILE 17 OK 78 78 100 99 2.6-5.1 1.8/4137=69, 2.9/4807=54...(14) HA VAL 16 - QG2 ILE 17 far 0 100 0 - 6.1-6.1 HB2 HIS 13 - QG2 ILE 17 far 0 97 0 - 6.9-7.7 Violated in 0 structures by 0.00 A. Peak 4075 from cnoeabs.peaks (3.80, 0.81, 17.21 ppm; 4.37 A): 1 out of 2 assignments used, quality = 0.95: HA THR 14 + QG2 ILE 17 OK 95 95 100 100 4.0-4.6 4003=87, 3667/2.1=82...(13) HA GLN 15 - QG2 ILE 17 far 10 99 10 - 5.8-6.5 Violated in 10 structures by 0.04 A. Peak 4076 from cnoeabs.peaks (4.19, 0.81, 17.21 ppm; 4.09 A): 1 out of 1 assignment used, quality = 1.00: HA GLU 18 + QG2 ILE 17 OK 100 100 100 100 3.3-3.7 4087=83, 3.0/35=62...(22) Violated in 0 structures by 0.00 A. Peak 4077 from cnoeabs.peaks (3.81, 1.08, 28.44 ppm; 4.09 A): 2 out of 2 assignments used, quality = 1.00: HA THR 14 + HG12 ILE 17 OK 100 100 100 100 2.3-4.1 4002=100, 4004/2.1=79...(12) HA GLN 15 + HG12 ILE 17 OK 21 83 40 64 5.2-6.9 3671/3372=28, 935/523=24...(4) Violated in 0 structures by 0.00 A. Peak 4078 from cnoeabs.peaks (3.80, 1.38, 28.44 ppm; 4.37 A): 2 out of 2 assignments used, quality = 0.96: HA THR 14 + HG13 ILE 17 OK 95 95 100 100 2.1-4.5 4004/2.1=79, 4002/1.8=78...(12) HA GLN 15 + HG13 ILE 17 OK 29 99 40 73 5.0-7.4 3671/3373=43, 933/524=30...(4) Violated in 2 structures by 0.00 A. Peak 4079 from cnoeabs.peaks (1.21, 0.70, 12.32 ppm; 4.44 A): 1 out of 1 assignment used, quality = 1.00: QG2 THR 14 + QD1 ILE 17 OK 100 100 100 100 1.9-4.7 4011=75, 3.2/4081=72...(14) Violated in 1 structures by 0.01 A. Peak 4080 from cnoeabs.peaks (3.23, 0.70, 12.32 ppm; 4.93 A): 4 out of 5 assignments used, quality = 0.98: HD3 ARG 21 + QD1 ILE 17 OK 79 100 80 99 5.1-7.3 4137/1224=74, ~4136=49...(10) HA VAL 16 + QD1 ILE 17 OK 63 100 65 97 5.1-6.5 28/1239=73, 3.0/4083=62...(7) HB2 HIS 13 + QD1 ILE 17 OK 58 87 100 67 4.0-5.3 4.0/4624=66 HD2 ARG 21 + QD1 ILE 17 OK 33 57 60 96 5.1-7.8 ~4137=50, ~4807=37...(10) HB2 HIS 10 - QD1 ILE 17 far 0 60 0 - 9.4-14.0 Violated in 0 structures by 0.00 A. Peak 4081 from cnoeabs.peaks (3.81, 0.70, 12.32 ppm; 3.75 A): 1 out of 2 assignments used, quality = 1.00: HA THR 14 + QD1 ILE 17 OK 100 100 100 100 1.9-3.6 4004=99, 4002/2.1=63...(12) HA GLN 15 - QD1 ILE 17 far 0 83 0 - 5.3-6.4 Violated in 0 structures by 0.00 A. Peak 4082 from cnoeabs.peaks (7.12, 0.70, 12.32 ppm; 4.74 A): 1 out of 2 assignments used, quality = 1.00: HD2 HIS 13 + QD1 ILE 17 OK 100 100 100 100 2.0-3.5 4624=97, 4621/2.1=77...(7) HD1 TRP 51 - QD1 ILE 17 far 0 81 0 - 9.0-10.8 Violated in 0 structures by 0.00 A. Peak 4083 from cnoeabs.peaks (7.83, 0.70, 12.32 ppm; 5.21 A): 1 out of 1 assignment used, quality = 0.97: H VAL 16 + QD1 ILE 17 OK 97 99 100 97 4.7-5.3 868/1239=79, 928/4081=40...(7) Violated in 16 structures by 0.03 A. Peak 4085 from cnoeabs.peaks (1.86, 4.19, 58.41 ppm; 4.18 A): 2 out of 4 assignments used, quality = 1.00: HG2 ARG 21 + HA GLU 18 OK 100 100 100 100 2.2-5.0 4138=69, 2.9/4139=58...(13) HB ILE 17 + HA GLU 18 OK 75 76 100 99 4.0-4.2 2.1/4087=75, 3370/3.0=45...(14) HG LEU 41 - HA GLU 18 far 10 99 10 - 5.4-6.9 HB3 MET 11 - HA GLU 18 far 0 68 0 - 9.5-11.6 Violated in 0 structures by 0.00 A. Peak 4087 from cnoeabs.peaks (0.79, 4.19, 58.41 ppm; 4.03 A): 1 out of 1 assignment used, quality = 0.89: QG2 ILE 17 + HA GLU 18 OK 89 89 100 100 3.3-3.7 4076=79, 35/3.0=53...(22) Violated in 0 structures by 0.00 A. Peak 4088 from cnoeabs.peaks (0.73, 4.19, 58.41 ppm; 4.41 A): 3 out of 4 assignments used, quality = 0.99: QD1 LEU 41 + HA GLU 18 OK 90 96 100 95 4.1-5.0 4438/3.6=50, 4091/3.9=33...(10) QD2 LEU 41 + HA GLU 18 OK 82 87 100 95 4.1-4.7 4449/3.9=47, 4437/3.0=38...(9) HB2 LEU 19 + HA GLU 18 OK 33 78 60 71 5.5-6.6 4.4/3691=40, 534/3.6=29...(6) HG LEU 29 - HA GLU 18 far 0 97 0 - 9.8-12.0 Violated in 0 structures by 0.00 A. Peak 4089 from cnoeabs.peaks (0.74, 2.00, 29.57 ppm; 3.20 A): 4 out of 6 assignments used, quality = 1.00: QD2 LEU 41 + HB2 GLU 18 OK 94 98 100 96 2.0-3.2 4451=38, 4093/3.0=38...(17) QD2 LEU 41 + HB3 GLU 18 OK 93 98 100 95 1.9-2.6 4093/3.0=38, 4451=37...(14) QD1 LEU 41 + HB2 GLU 18 OK 74 81 100 92 1.9-2.8 2.1/4451=25, 4091/3.0=21...(21) QD1 LEU 41 + HB3 GLU 18 OK 74 81 100 92 2.4-3.5 2.1/4451=25, 4091/3.0=21...(18) HG LEU 29 - HB3 GLU 18 far 0 100 0 - 8.9-11.2 HG LEU 29 - HB2 GLU 18 far 0 100 0 - 9.9-12.5 Violated in 0 structures by 0.00 A. Peak 4090 from cnoeabs.peaks (1.20, 2.28, 35.25 ppm; 4.48 A): 1 out of 2 assignments used, quality = 0.97: QG2 THR 14 + HG2 GLU 18 OK 97 97 100 99 3.0-5.0 4010/1.8=81, 4009=79...(10) HB2 LEU 43 - HG2 GLU 18 far 0 63 0 - 8.7-10.4 Violated in 2 structures by 0.04 A. Peak 4091 from cnoeabs.peaks (0.73, 2.28, 35.25 ppm; 3.69 A): 2 out of 3 assignments used, quality = 0.99: QD1 LEU 41 + HG2 GLU 18 OK 94 96 100 98 1.9-4.7 2.1/4450=49, ~4093=43...(17) QD2 LEU 41 + HG2 GLU 18 OK 85 87 100 97 2.0-3.7 4449/1.8=53, 4450=53...(14) HB2 LEU 19 - HG2 GLU 18 far 0 78 0 - 5.9-8.4 Violated in 0 structures by 0.00 A. Peak 4092 from cnoeabs.peaks (1.20, 2.41, 35.25 ppm; 4.65 A): 1 out of 4 assignments used, quality = 0.97: QG2 THR 14 + HG3 GLU 18 OK 97 97 100 100 2.7-5.5 4010=92, 4090/1.8=83...(10) HB2 LEU 43 - HG3 GLN 47 poor 15 30 50 - 4.3-6.3 QG2 THR 14 - HG3 GLU 20 far 0 62 0 - 7.2-9.1 HB2 LEU 43 - HG3 GLU 18 far 0 63 0 - 8.9-11.2 Violated in 3 structures by 0.10 A. Peak 4093 from cnoeabs.peaks (0.75, 2.41, 35.25 ppm; 3.89 A): 1 out of 3 assignments used, quality = 1.00: QD2 LEU 41 + HG3 GLU 18 OK 100 100 100 100 2.0-4.4 4449=86, 4450/1.8=56...(13) QD2 LEU 41 - HG3 GLU 20 far 0 66 0 - 7.1-8.6 QD2 LEU 41 - HG3 GLN 47 far 0 60 0 - 8.9-10.5 Violated in 3 structures by 0.05 A. Peak 4094 from cnoeabs.peaks (1.21, 2.00, 29.57 ppm; 4.51 A): 2 out of 5 assignments used, quality = 0.80: QG2 THR 14 + HB2 GLU 18 OK 71 100 75 94 4.5-6.3 4010/3.0=69, 4009/3.0=57...(10) QG2 THR 14 + HB3 GLU 18 OK 32 100 35 93 5.1-7.1 4010/3.0=69, 4009/3.0=57...(8) HB2 LEU 43 - HB2 GLU 18 far 0 92 0 - 7.4-8.8 HB2 LEU 43 - HB3 GLU 18 far 0 92 0 - 7.9-9.3 HD2 LYS 27 - HB3 GLN 63 far 0 68 0 - 9.0-22.3 Violated in 17 structures by 0.65 A. Peak 4095 from cnoeabs.peaks (3.80, 2.41, 35.25 ppm; 5.23 A): 2 out of 5 assignments used, quality = 1.00: HA GLN 15 + HG3 GLU 18 OK 99 99 100 100 2.9-4.6 4446/4093=79...(14) HA THR 14 + HG3 GLU 18 OK 75 95 80 99 4.3-7.2 3.2/4010=79, ~4090=57...(9) HA THR 14 - HG3 GLU 20 far 0 58 0 - 7.1-9.1 HA GLN 15 - HG3 GLU 20 far 0 65 0 - 7.5-8.9 HA ILE 50 - HG3 GLN 47 far 0 34 0 - 7.6-9.5 Violated in 0 structures by 0.00 A. Peak 4096 from cnoeabs.peaks (3.79, 2.28, 35.25 ppm; 4.19 A): 2 out of 2 assignments used, quality = 0.98: HA GLN 15 + HG2 GLU 18 OK 97 99 100 98 2.4-4.3 3671/1264=45...(17) HA THR 14 + HG2 GLU 18 OK 32 68 50 93 4.6-7.0 3.2/4090=54, ~4010=39...(11) Violated in 0 structures by 0.00 A. Peak 4097 from cnoeabs.peaks (3.22, 4.19, 58.41 ppm; 4.02 A): 2 out of 4 assignments used, quality = 0.98: HD3 ARG 21 + HA GLU 18 OK 88 89 100 99 2.1-4.9 4139=64, 1.8/4140=57...(14) HD2 ARG 21 + HA GLU 18 OK 83 89 95 99 2.0-5.5 1.8/4139=66, 4140=51...(14) HA VAL 16 - HA GLU 18 far 0 99 0 - 6.4-6.9 HB3 HIS 36 - HA GLU 18 far 0 60 0 - 9.4-11.5 Violated in 4 structures by 0.06 A. Peak 4098 from cnoeabs.peaks (7.73, 0.53, 23.51 ppm; 4.28 A): 1 out of 2 assignments used, quality = 0.95: QD PHE 52 + QD2 LEU 19 OK 95 96 100 100 2.9-4.2 2.2/4099=89, 3.7/4113=45...(11) H ARG 56 - QD2 LEU 19 far 0 96 0 - 7.6-9.3 Violated in 0 structures by 0.00 A. Peak 4099 from cnoeabs.peaks (7.53, 0.53, 23.51 ppm; 3.40 A): 1 out of 6 assignments used, quality = 0.99: QE PHE 52 + QD2 LEU 19 OK 99 100 100 99 1.9-3.2 4707=85, 2.2/4098=45...(15) H GLU 18 - QD2 LEU 19 far 0 76 0 - 5.6-6.3 H GLN 15 - QD2 LEU 19 far 0 78 0 - 7.0-8.7 H TYR 28 - QD2 LEU 19 far 0 68 0 - 9.2-11.1 HE21 GLN 63 - QD2 LEU 19 far 0 100 0 - 9.4-24.0 HE22 GLN 53 - QD2 LEU 19 far 0 65 0 - 9.6-12.3 Violated in 0 structures by 0.00 A. Peak 4100 from cnoeabs.peaks (7.17, 0.53, 23.51 ppm; 4.62 A): 2 out of 3 assignments used, quality = 0.98: HZ PHE 52 + QD2 LEU 19 OK 94 95 100 100 3.4-4.9 2.2/4099=95, 3.8/4098=60...(8) HD1 TRP 51 + QD2 LEU 19 OK 70 73 100 96 3.7-4.8 3.9/4114=52, 4827/2.1=44...(8) QE PHE 23 - QD2 LEU 19 far 5 98 5 - 6.1-8.2 Violated in 0 structures by 0.00 A. Peak 4101 from cnoeabs.peaks (6.96, 0.53, 23.51 ppm; 4.44 A): 1 out of 2 assignments used, quality = 0.95: HE3 TRP 51 + QD2 LEU 19 OK 95 98 100 97 2.5-4.4 4701/4099=59...(7) HZ PHE 23 - QD2 LEU 19 far 0 93 0 - 7.8-10.1 Violated in 0 structures by 0.00 A. Peak 4102 from cnoeabs.peaks (7.53, 3.64, 58.54 ppm; 4.82 A): 2 out of 3 assignments used, quality = 0.99: QE PHE 52 + HA LEU 19 OK 99 100 100 99 2.6-3.9 4099/1281=87...(8) H GLU 18 + HA LEU 19 OK 52 65 100 80 5.2-5.4 39/2.9=58, 942/3.6=30...(6) H GLN 15 - HA LEU 19 far 0 87 0 - 8.7-9.8 Violated in 0 structures by 0.00 A. Peak 4103 from cnoeabs.peaks (7.17, 3.64, 58.54 ppm; 4.99 A): 1 out of 3 assignments used, quality = 0.96: HZ PHE 52 + HA LEU 19 OK 96 98 100 98 2.5-4.8 4142/3702=57...(9) HD1 TRP 51 - HA LEU 19 far 0 63 0 - 7.0-7.8 QE PHE 23 - HA LEU 19 far 0 100 0 - 7.7-9.0 Violated in 0 structures by 0.00 A. Peak 4104 from cnoeabs.peaks (8.97, 3.64, 58.54 ppm; 5.99 A): 1 out of 1 assignment used, quality = 0.71: H PHE 23 + HA LEU 19 OK 71 71 100 100 3.7-4.7 4.6/3699=81, 4.3/3702=81...(8) Violated in 0 structures by 0.00 A. Peak 4106 from cnoeabs.peaks (0.93, 3.64, 58.54 ppm; 4.22 A): 2 out of 4 assignments used, quality = 0.97: QD2 LEU 37 + HA LEU 19 OK 92 95 100 97 2.1-5.2 4374/4.0=55...(14) QG2 VAL 48 + HA LEU 19 OK 65 81 100 81 4.5-5.5 4117/1281=32...(14) QD1 LEU 64 - HA LEU 19 far 0 71 0 - 9.7-28.1 QG2 ILE 50 - HA LEU 19 far 0 89 0 - 9.7-10.8 Violated in 2 structures by 0.02 A. Peak 4107 from cnoeabs.peaks (1.71, 3.64, 58.54 ppm; 5.18 A): 3 out of 3 assignments used, quality = 1.00: HG2 LYS 22 + HA LEU 19 OK 98 98 100 100 4.0-6.5 2.9/3702=82, 2.9/3701=74...(8) HG3 LYS 22 + HA LEU 19 OK 62 65 95 99 4.5-6.7 2.9/3702=82, 2.9/3701=74...(8) HB3 LEU 37 + HA LEU 19 OK 51 65 100 78 4.8-6.6 3.1/4106=48, ~4375=24...(7) Violated in 0 structures by 0.00 A. 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 100 100 100 100 3.4-5.3 3.2/3680=75, 4767/1.8=59...(20) QG1 VAL 48 + HB2 LEU 19 OK 89 95 95 99 4.2-6.8 4825/3.1=54, ~4579=40...(16) QG1 VAL 16 + HB2 LEU 19 OK 76 76 100 100 3.9-5.8 3.2/3680=75, 4768/3.1=49...(19) Violated in 0 structures by 0.00 A. Peak 4109 from cnoeabs.peaks (0.65, 1.24, 25.70 ppm; 4.40 A): 1 out of 2 assignments used, quality = 0.98: QD1 LEU 43 + HG LEU 19 OK 98 99 100 99 3.3-4.7 4478/2.1=86, 4703/2.1=85...(10) HB2 ARG 55 - HG LEU 19 far 0 100 0 - 8.8-10.4 Violated in 3 structures by 0.02 A. Peak 4112 from cnoeabs.peaks (3.21, 1.24, 25.70 ppm; 5.06 A): 1 out of 4 assignments used, quality = 0.97: HA VAL 16 + HG LEU 19 OK 97 97 100 100 3.1-4.1 4057=93, 4769/2.1=93...(15) HD3 ARG 21 - HG LEU 19 far 0 85 0 - 7.1-9.5 HD2 ARG 21 - HG LEU 19 far 0 92 0 - 7.2-10.4 HB2 HIS 10 - HG LEU 19 far 0 93 0 - 9.0-12.7 Violated in 0 structures by 0.00 A. Peak 4113 from cnoeabs.peaks (3.76, 0.53, 23.51 ppm; 4.93 A): 1 out of 3 assignments used, quality = 0.97: HA PHE 52 + QD2 LEU 19 OK 97 100 100 97 4.8-6.2 3.7/4098=68...(9) HA ILE 50 - QD2 LEU 19 far 0 93 0 - 7.3-8.0 HA3 GLY 69 - QD2 LEU 19 far 0 95 0 - 9.3-27.7 Violated in 17 structures by 0.50 A. Peak 4114 from cnoeabs.peaks (3.50, 0.53, 23.51 ppm; 4.84 A): 1 out of 1 assignment used, quality = 1.00: HB2 TRP 51 + QD2 LEU 19 OK 100 100 100 100 2.4-3.4 4749=59, 4.2/4101=58...(14) Violated in 0 structures by 0.00 A. Peak 4115 from cnoeabs.peaks (3.27, 0.53, 23.51 ppm; 4.83 A): 2 out of 3 assignments used, quality = 0.97: HB2 PHE 52 + QD2 LEU 19 OK 84 100 85 99 5.3-7.3 2.5/4098=81, 4.4/4099=67...(8) HB3 TRP 51 + QD2 LEU 19 OK 80 81 100 99 3.0-3.4 1.8/4114=79, 4.2/4101=58...(9) HD3 ARG 34 - QD2 LEU 19 far 10 100 10 - 5.8-8.4 Violated in 0 structures by 0.00 A. Peak 4116 from cnoeabs.peaks (1.58, 0.53, 23.51 ppm; 4.47 A): 3 out of 7 assignments used, quality = 0.98: HG LEU 37 + QD2 LEU 19 OK 90 90 100 100 3.0-4.1 2.1/4378=93, 4381=85...(12) HB3 LEU 43 + QD2 LEU 19 OK 64 65 100 98 4.5-5.9 3.1/4478=75, ~4703=44...(8) HG3 ARG 34 + QD2 LEU 19 OK 41 97 60 70 5.2-6.8 4330/4826=40...(6) HG3 ARG 21 - QD2 LEU 19 far 0 63 0 - 7.0-9.2 HG2 LYS 49 - QD2 LEU 19 far 0 100 0 - 8.1-9.3 HG3 ARG 61 - QD2 LEU 19 far 0 85 0 - 9.0-20.1 HB3 LYS 27 - QD2 LEU 19 far 0 90 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. Peak 4117 from cnoeabs.peaks (0.94, 0.53, 23.51 ppm; 2.90 A): 3 out of 4 assignments used, quality = 0.97: QG2 VAL 48 + QD2 LEU 19 OK 79 90 100 88 2.0-2.8 2.1/4825=30, 3.2/4579=19...(24) QD2 LEU 37 + QD2 LEU 19 OK 71 87 90 91 2.1-5.2 2.1/4378=47, 4374=41...(12) QD1 LEU 37 + QD2 LEU 19 OK 54 65 100 82 1.8-4.3 2.1/4374=40, 4378=31...(11) QG2 ILE 50 - QD2 LEU 19 far 0 78 0 - 6.2-7.1 Violated in 0 structures by 0.00 A. Peak 4118 from cnoeabs.peaks (1.01, -0.28, 24.60 ppm; 4.52 A): 3 out of 3 assignments used, quality = 1.00: QG2 VAL 16 + QD1 LEU 19 OK 99 99 100 100 2.2-2.9 3.2/4769=73, 2.1/4768=71...(23) QG1 VAL 48 + QD1 LEU 19 OK 97 98 100 98 4.1-5.4 4825/2.1=57, 3.2/4580=52...(15) QG1 VAL 16 + QD1 LEU 19 OK 65 65 100 100 3.3-4.4 3.2/4769=73, 4768=48...(21) Violated in 0 structures by 0.00 A. Peak 4119 from cnoeabs.peaks (3.23, -0.28, 24.60 ppm; 4.24 A): 1 out of 3 assignments used, quality = 0.97: HA VAL 16 + QD1 LEU 19 OK 97 97 100 100 1.9-2.6 4769=96, 3.2/4768=52...(17) HD3 ARG 21 - QD1 LEU 19 far 0 100 0 - 7.5-9.3 HB2 HIS 13 - QD1 LEU 19 far 0 76 0 - 8.2-9.4 Violated in 0 structures by 0.00 A. Peak 4121 from cnoeabs.peaks (3.68, 2.46, 35.40 ppm; 4.91 A): 1 out of 1 assignment used, quality = 0.98: HA ILE 17 + HG2 GLU 20 OK 98 98 100 100 2.0-4.5 3689/3.0=82, 3686/3.0=79...(10) Violated in 0 structures by 0.00 A. Peak 4122 from cnoeabs.peaks (3.68, 2.42, 35.40 ppm; 5.17 A): 2 out of 2 assignments used, quality = 0.99: HA ILE 17 + HG3 GLU 20 OK 98 98 100 100 1.9-3.9 4121/1.8=86, 3689/3.0=86...(13) HA ILE 17 + HG3 GLU 18 OK 39 62 65 96 5.3-7.1 3.6/531=55, 3.0/4069=37...(11) Violated in 0 structures by 0.00 A. Peak 4123 from cnoeabs.peaks (1.01, 2.42, 35.40 ppm; 4.43 A): 2 out of 6 assignments used, quality = 1.00: QG2 VAL 16 + HG3 GLU 20 OK 98 100 100 98 3.5-5.6 2.1/4058=79, 4124/1.8=47...(11) QG1 VAL 16 + HG3 GLU 20 OK 76 78 100 97 2.6-3.9 4058=64, 4059/1.8=40...(12) QG1 VAL 16 - HG3 GLU 18 far 2 45 5 - 5.9-7.5 QG2 VAL 16 - HG3 GLU 18 far 0 66 0 - 6.9-8.2 QG1 VAL 48 - HG3 GLU 18 far 0 57 0 - 8.1-10.5 QG1 VAL 48 - HG3 GLU 20 far 0 93 0 - 8.1-9.6 Violated in 0 structures by 0.00 A. Peak 4124 from cnoeabs.peaks (1.01, 2.46, 35.40 ppm; 4.39 A): 2 out of 3 assignments used, quality = 0.98: QG2 VAL 16 + HG2 GLU 20 OK 93 99 95 99 3.5-6.5 ~4058=59, 2.1/4059=51...(13) QG1 VAL 16 + HG2 GLU 20 OK 62 65 100 95 2.6-5.0 4058/1.8=46, 4059=32...(11) QG1 VAL 48 - HG2 GLU 20 far 0 98 0 - 7.8-9.9 Violated in 1 structures by 0.02 A. Peak 4129 from cnoeabs.peaks (7.25, 4.22, 59.07 ppm; 4.82 A): 1 out of 1 assignment used, quality = 1.00: HZ2 TRP 51 + HA GLU 20 OK 100 100 100 100 3.7-4.6 4684=99, 2.5/4685=98...(9) Violated in 0 structures by 0.00 A. Peak 4130 from cnoeabs.peaks (7.05, 4.22, 59.07 ppm; 5.07 A): 1 out of 1 assignment used, quality = 0.98: QD PHE 23 + HA GLU 20 OK 98 98 100 100 3.4-4.1 4627=97, 2.4/3707=95...(8) Violated in 0 structures by 0.00 A. Peak 4131 from cnoeabs.peaks (6.44, 4.22, 59.07 ppm; 3.40 A): 1 out of 1 assignment used, quality = 1.00: HH2 TRP 51 + HA GLU 20 OK 100 100 100 100 2.0-2.4 4685=100, 2.5/4684=44...(11) Violated in 0 structures by 0.00 A. Peak 4132 from cnoeabs.peaks (7.25, 2.46, 35.40 ppm; 4.48 A): 1 out of 1 assignment used, quality = 1.00: HZ2 TRP 51 + HG2 GLU 20 OK 100 100 100 100 2.3-5.6 4688=97, 2.5/4691=76...(11) Violated in 1 structures by 0.06 A. Peak 4133 from cnoeabs.peaks (7.25, 2.42, 35.40 ppm; 4.56 A): 1 out of 2 assignments used, quality = 1.00: HZ2 TRP 51 + HG3 GLU 20 OK 100 100 100 100 2.0-4.4 4688/1.8=98, 2.5/4720=58...(11) HZ2 TRP 51 - HG3 GLU 18 far 0 66 0 - 8.7-10.8 Violated in 0 structures by 0.00 A. Peak 4136 from cnoeabs.peaks (0.80, 3.20, 43.43 ppm; 4.62 A): 1 out of 1 assignment used, quality = 1.00: QG2 ILE 17 + HD2 ARG 21 OK 100 100 100 100 2.6-5.1 4137/1.8=82, 4806/2.9=64...(15) Violated in 1 structures by 0.02 A. Peak 4137 from cnoeabs.peaks (0.81, 3.23, 43.43 ppm; 4.47 A): 1 out of 1 assignment used, quality = 1.00: QG2 ILE 17 + HD3 ARG 21 OK 100 100 100 100 2.7-4.4 4136/1.8=74, 4807/2.9=61...(14) Violated in 0 structures by 0.00 A. Peak 4138 from cnoeabs.peaks (4.19, 1.86, 27.31 ppm; 4.72 A): 1 out of 1 assignment used, quality = 1.00: HA GLU 18 + HG2 ARG 21 OK 100 100 100 100 2.2-5.0 4139/2.9=71, 3692/549=69...(13) Violated in 3 structures by 0.04 A. Peak 4139 from cnoeabs.peaks (4.20, 3.23, 43.43 ppm; 4.39 A): 1 out of 2 assignments used, quality = 1.00: HA GLU 18 + HD3 ARG 21 OK 100 100 100 100 2.1-4.9 4140/1.8=69, 4138/2.9=57...(14) HA GLU 20 - HD3 ARG 21 poor 14 71 20 - 5.0-8.2 Violated in 4 structures by 0.08 A. Peak 4140 from cnoeabs.peaks (4.19, 3.20, 43.43 ppm; 4.73 A): 1 out of 1 assignment used, quality = 1.00: HA GLU 18 + HD2 ARG 21 OK 100 100 100 100 2.0-5.5 4139/1.8=86, 4138/2.9=66...(14) Violated in 4 structures by 0.07 A. Peak 4141 from cnoeabs.peaks (7.17, 2.06, 30.62 ppm; 4.49 A): 1 out of 2 assignments used, quality = 1.00: HZ PHE 52 + HB2 LYS 22 OK 100 100 100 100 1.9-4.1 4142/1.8=81, 4144/2.9=69...(10) QE PHE 23 - HB2 LYS 22 far 0 100 0 - 7.4-9.2 Violated in 0 structures by 0.00 A. Peak 4142 from cnoeabs.peaks (7.18, 2.38, 30.62 ppm; 4.35 A): 1 out of 3 assignments used, quality = 1.00: HZ PHE 52 + HB3 LYS 22 OK 100 100 100 100 1.9-2.5 4640=88, 4141/1.8=74...(11) QE PHE 23 - HB3 LYS 22 far 0 100 0 - 7.3-8.3 H GLU 33 - HB3 LYS 22 far 0 57 0 - 8.7-10.8 Violated in 0 structures by 0.00 A. Peak 4143 from cnoeabs.peaks (7.52, 1.71, 24.77 ppm; 5.22 A): 1 out of 2 assignments used, quality = 0.96: QE PHE 52 + HG2 LYS 22 OK 96 96 100 100 2.5-5.2 2.2/4144=94, ~4145=69...(11) H TYR 28 - HG2 LYS 22 far 0 93 0 - 7.1-11.3 Violated in 1 structures by 0.00 A. Peak 4144 from cnoeabs.peaks (7.17, 1.71, 24.77 ppm; 4.19 A): 1 out of 2 assignments used, quality = 0.98: HZ PHE 52 + HG2 LYS 22 OK 98 99 100 99 2.8-4.3 4145/1.8=68, 4142/2.9=57...(10) QE PHE 23 - HG2 LYS 22 far 0 100 0 - 7.6-10.2 Violated in 4 structures by 0.01 A. Peak 4145 from cnoeabs.peaks (7.17, 1.68, 24.77 ppm; 4.49 A): 1 out of 2 assignments used, quality = 0.96: HZ PHE 52 + HG3 LYS 22 OK 96 96 100 100 2.5-4.6 4144/1.8=84, 4141/2.9=61...(11) QE PHE 23 - HG3 LYS 22 far 0 99 0 - 8.5-10.1 Violated in 3 structures by 0.02 A. Peak 4146 from cnoeabs.peaks (7.30, 4.35, 57.92 ppm; 5.00 A): 1 out of 2 assignments used, quality = 0.90: HD2 HIS 25 + HA LYS 22 OK 90 100 90 100 2.1-6.7 4659=97, 4661/3.0=76...(6) HD21 ASN 40 - HA LYS 22 far 0 93 0 - 8.0-11.0 Violated in 5 structures by 0.31 A. Peak 4149 from cnoeabs.peaks (0.93, 4.35, 57.92 ppm; 4.86 A): 1 out of 2 assignments used, quality = 0.97: QD2 LEU 37 + HA LYS 22 OK 97 97 100 100 4.1-4.3 4388/3.0=68...(14) QG2 VAL 48 - HA LYS 22 far 0 73 0 - 7.4-8.9 Violated in 0 structures by 0.00 A. Peak 4150 from cnoeabs.peaks (0.93, 2.06, 30.62 ppm; 4.42 A): 1 out of 2 assignments used, quality = 0.97: QD2 LEU 37 + HB2 LYS 22 OK 97 97 100 100 1.9-2.7 4388=79, 4152/2.9=67...(30) QG2 VAL 48 - HB2 LYS 22 poor 12 73 30 54 5.2-6.9 4643/4141=18...(8) Violated in 0 structures by 0.00 A. Peak 4151 from cnoeabs.peaks (0.93, 2.38, 30.62 ppm; 4.55 A): 2 out of 2 assignments used, quality = 0.98: QD2 LEU 37 + HB3 LYS 22 OK 97 97 100 100 2.0-3.3 4388/1.8=75, 4152/2.9=70...(31) QG2 VAL 48 + HB3 LYS 22 OK 22 73 55 56 5.2-6.5 4106/3702=22...(8) Violated in 0 structures by 0.00 A. Peak 4152 from cnoeabs.peaks (0.93, 1.71, 24.77 ppm; 4.22 A): 1 out of 2 assignments used, quality = 0.93: QD2 LEU 37 + HG2 LYS 22 OK 93 93 100 100 1.9-3.7 4154/1.8=67, 4156/3.0=59...(34) QG2 VAL 48 - HG2 LYS 22 poor 17 83 20 - 4.8-7.4 Violated in 0 structures by 0.00 A. Peak 4153 from cnoeabs.peaks (0.46, 1.71, 24.77 ppm; 4.35 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 29 + HG2 LYS 22 OK 100 100 100 100 1.9-4.5 4155/1.8=80, 4778/3.7=62...(18) Violated in 1 structures by 0.01 A. Peak 4154 from cnoeabs.peaks (0.93, 1.68, 24.77 ppm; 4.29 A): 1 out of 2 assignments used, quality = 0.93: QD2 LEU 37 + HG3 LYS 22 OK 93 93 100 100 1.9-3.5 4152/1.8=79, 4156/3.0=61...(34) QG2 VAL 48 - HG3 LYS 22 poor 11 83 30 44 5.0-7.8 4643/4145=16...(10) Violated in 0 structures by 0.00 A. Peak 4155 from cnoeabs.peaks (0.46, 1.68, 24.77 ppm; 4.21 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 29 + HG3 LYS 22 OK 100 100 100 100 1.9-5.1 4153/1.8=73, 4778/3.7=57...(16) Violated in 4 structures by 0.08 A. Peak 4156 from cnoeabs.peaks (0.93, 1.82, 27.95 ppm; 4.37 A): 1 out of 2 assignments used, quality = 0.93: QD2 LEU 37 + HD2 LYS 22 OK 93 93 100 100 2.0-3.9 2.1/4815=76, 4152/3.0=66...(35) QG2 VAL 48 - HD2 LYS 22 far 0 83 0 - 6.9-8.6 Violated in 0 structures by 0.00 A. Peak 4157 from cnoeabs.peaks (0.45, 1.82, 27.95 ppm; 4.82 A): 1 out of 1 assignment used, quality = 0.95: QD2 LEU 29 + HD2 LYS 22 OK 95 95 100 100 2.1-4.5 4159/1.8=87, 4778/3.0=82...(12) Violated in 0 structures by 0.00 A. Peak 4158 from cnoeabs.peaks (0.94, 1.96, 27.95 ppm; 4.57 A): 2 out of 3 assignments used, quality = 0.95: QD2 LEU 37 + HD3 LYS 22 OK 85 85 100 100 1.9-4.4 4156/1.8=82, 2.1/4160=79...(34) QD1 LEU 37 + HD3 LYS 22 OK 68 68 100 100 2.0-5.0 2.1/4160=79, ~4156=57...(39) QG2 VAL 48 - HD3 LYS 22 poor 10 92 25 46 5.7-8.7 4575/4160=14...(8) Violated in 0 structures by 0.00 A. Peak 4159 from cnoeabs.peaks (0.45, 1.96, 27.95 ppm; 4.46 A): 1 out of 1 assignment used, quality = 0.98: QD2 LEU 29 + HD3 LYS 22 OK 98 98 100 100 2.1-4.6 4778/3.0=76, 4157/1.8=69...(12) Violated in 6 structures by 0.03 A. Peak 4160 from cnoeabs.peaks (1.59, 1.96, 27.95 ppm; 4.34 A): 1 out of 4 assignments used, quality = 0.55: HG LEU 37 + HD3 LYS 22 OK 55 68 80 100 3.8-7.0 ~4815=58, ~4156=51...(38) HG3 ARG 21 - HD3 LYS 22 poor 17 87 20 - 5.7-9.5 HG3 ARG 34 - HD3 LYS 22 far 0 100 0 - 5.9-9.2 QB ALA 31 - HD3 LYS 22 far 0 63 0 - 9.6-12.7 Violated in 14 structures by 0.68 A. Peak 4161 from cnoeabs.peaks (3.32, 4.35, 57.92 ppm; 4.63 A): 1 out of 1 assignment used, quality = 0.93: HB3 HIS 25 + HA LYS 22 OK 93 95 100 99 2.9-5.0 4181=80, 1.8/4180=71...(4) Violated in 2 structures by 0.03 A. Peak 4162 from cnoeabs.peaks (2.19, 7.18, 130.60 ppm; 5.31 A): 1 out of 3 assignments used, quality = 0.86: HG2 ARG 56 + QE PHE 23 OK 86 86 100 100 2.0-4.6 1.8/4646=89, ~4649=78...(14) HB2 GLU 20 - QE PHE 23 poor 16 68 30 79 6.0-8.6 ~4627=57, ~4130=50 HB VAL 48 - QE PHE 23 far 0 68 0 - 9.5-10.9 Violated in 0 structures by 0.00 A. Peak 4163 from cnoeabs.peaks (1.44, 7.18, 130.60 ppm; 4.96 A): 2 out of 8 assignments used, quality = 0.96: HG3 ARG 56 + QE PHE 23 OK 90 90 100 100 2.0-3.6 4649/2.2=93, 1.8/4643=89...(12) HB2 LYS 27 + QE PHE 23 OK 59 59 100 100 2.4-4.8 3.0/4639=77, ~4629=57...(14) HG2 LYS 60 - QE PHE 23 poor 15 77 20 - 5.5-11.0 HG3 LYS 60 - QE PHE 23 far 12 79 15 - 4.6-11.0 HG3 LYS 62 - QE PHE 23 far 4 88 5 - 2.2-15.8 HG2 LYS 62 - QE PHE 23 far 4 88 5 - 3.7-14.3 HG3 LYS 58 - QE PHE 23 far 0 89 0 - 7.0-10.1 HB3 LEU 29 - QE PHE 23 far 0 79 0 - 7.3-9.6 Violated in 0 structures by 0.00 A. Peak 4164 from cnoeabs.peaks (3.91, 7.18, 130.60 ppm; 5.30 A): 2 out of 3 assignments used, quality = 0.95: HA LYS 27 + QE PHE 23 OK 92 92 100 100 1.9-4.0 4629/2.2=96, 4203/2.2=85...(16) HA GLN 53 + QE PHE 23 OK 29 49 100 59 4.4-6.3 3827/4644=25...(6) HB2 SER 65 - QE PHE 23 far 0 66 0 - 8.9-20.2 Violated in 0 structures by 0.00 A. Peak 4165 from cnoeabs.peaks (5.71, 3.15, 39.32 ppm; 4.62 A): 1 out of 1 assignment used, quality = 0.99: HZ3 TRP 51 + HB2 PHE 23 OK 99 99 100 100 2.2-3.0 2.4/4721=75, 4167/1.8=74...(8) Violated in 0 structures by 0.00 A. Peak 4166 from cnoeabs.peaks (6.44, 3.15, 39.32 ppm; 4.83 A): 1 out of 1 assignment used, quality = 0.99: HH2 TRP 51 + HB2 PHE 23 OK 99 99 100 100 3.3-4.9 4686/1.8=94, 4721=89...(8) Violated in 1 structures by 0.00 A. Peak 4167 from cnoeabs.peaks (5.73, 3.08, 39.32 ppm; 4.24 A): 1 out of 1 assignment used, quality = 0.99: HZ3 TRP 51 + HB3 PHE 23 OK 99 99 100 100 2.0-4.2 2.4/4686=72, 4637/2.4=72...(9) Violated in 0 structures by 0.00 A. Peak 4168 from cnoeabs.peaks (6.46, 3.08, 39.32 ppm; 4.65 A): 1 out of 1 assignment used, quality = 0.96: HH2 TRP 51 + HB3 PHE 23 OK 96 96 100 100 3.8-4.8 4686=93, 4721/1.8=87...(7) Violated in 1 structures by 0.01 A. Peak 4169 from cnoeabs.peaks (6.95, 7.18, 130.60 ppm; 3.91 A): 2 out of 3 assignments used, quality = 0.97: * HZ PHE 23 + QE PHE 23 OK 93 93 100 100 2.2-2.2 2.2=100 HE3 TRP 51 + QE PHE 23 OK 52 71 95 78 3.9-5.5 ~4637=38, 4544/2.2=37...(8) HE21 GLN 53 - QE PHE 23 far 0 80 0 - 8.0-10.8 Violated in 0 structures by 0.00 A. 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 95 100 100 3.8-3.8 3.8=100 Violated in 0 structures by 0.00 A. Peak 4172 from cnoeabs.peaks (7.17, 6.95, 128.97 ppm; 3.54 A): 1 out of 3 assignments used, quality = 0.97: QE PHE 23 + HZ PHE 23 OK 97 97 100 100 2.2-2.2 2.2=100 QD TYR 57 - HZ PHE 23 far 0 63 0 - 7.6-9.5 HZ PHE 52 - HZ PHE 23 far 0 95 0 - 7.7-9.3 Violated in 0 structures by 0.00 A. Peak 4173 from cnoeabs.peaks (4.08, 6.95, 128.97 ppm; 4.29 A): 1 out of 3 assignments used, quality = 0.96: HA ARG 56 + HZ PHE 23 OK 96 96 100 100 2.0-3.5 4674=99, 4673/2.2=76...(11) HA SER 24 - HZ PHE 23 far 0 95 0 - 6.1-8.2 HA LYS 58 - HZ PHE 23 far 0 70 0 - 7.3-9.7 Violated in 0 structures by 0.00 A. Peak 4174 from cnoeabs.peaks (1.43, 6.95, 128.97 ppm; 4.93 A): 2 out of 7 assignments used, quality = 0.97: HB2 LYS 27 + HZ PHE 23 OK 89 89 100 100 3.0-5.6 3.0/4203=67, 4205=64...(13) HG3 ARG 56 + HZ PHE 23 OK 72 72 100 100 1.9-5.0 1.8/4648=82, 3.8/4674=75...(11) HG3 LYS 60 - HZ PHE 23 far 10 96 10 - 5.8-11.8 HG2 LYS 60 - HZ PHE 23 far 10 96 10 - 5.4-11.7 HG3 LYS 62 - HZ PHE 23 far 5 97 5 - 3.9-16.4 HG2 LYS 62 - HZ PHE 23 far 5 97 5 - 5.0-16.1 HG3 LYS 58 - HZ PHE 23 far 0 70 0 - 7.2-11.1 Violated in 0 structures by 0.00 A. Peak 4175 from cnoeabs.peaks (1.31, 6.95, 128.97 ppm; 4.98 A): 2 out of 2 assignments used, quality = 0.85: QG2 THR 59 + HZ PHE 23 OK 64 90 75 95 2.7-8.3 4838/4674=65, 4504=64 HD3 LYS 27 + HZ PHE 23 OK 57 57 100 100 2.2-4.6 1.8/4657=82, 4652/2.2=71...(15) Violated in 0 structures by 0.00 A. Peak 4177 from cnoeabs.peaks (7.74, 7.18, 130.60 ppm; 5.18 A): 3 out of 3 assignments used, quality = 1.00: H ARG 56 + QE PHE 23 OK 93 93 100 100 2.4-4.2 775/4646=71, 774/4643=68...(20) QD PHE 52 + QE PHE 23 OK 93 93 100 100 3.0-4.3 4698/2.2=89, ~4630=76...(16) H THR 59 + QE PHE 23 OK 65 73 100 89 4.7-6.6 4.0/4503=68...(8) Violated in 0 structures by 0.00 A. Peak 4178 from cnoeabs.peaks (7.06, 4.08, 61.10 ppm; 4.70 A): 1 out of 1 assignment used, quality = 0.99: QD PHE 23 + HA SER 24 OK 99 100 100 99 2.9-4.6 4628=64, 4632/3.0=50...(7) Violated in 0 structures by 0.00 A. Peak 4180 from cnoeabs.peaks (4.34, 3.37, 31.20 ppm; 4.94 A): 1 out of 1 assignment used, quality = 0.97: HA LYS 22 + HB2 HIS 25 OK 97 99 100 98 2.8-5.1 4161/1.8=86, 4179/3.9=61 Violated in 5 structures by 0.03 A. Peak 4181 from cnoeabs.peaks (4.34, 3.31, 31.20 ppm; 4.83 A): 1 out of 1 assignment used, quality = 0.99: HA LYS 22 + HB3 HIS 25 OK 99 99 100 100 2.9-5.0 4161=91, 4180/1.8=77...(4) Violated in 2 structures by 0.01 A. Peak 4182 from cnoeabs.peaks (2.27, 3.31, 31.20 ppm; 5.31 A): 2 out of 4 assignments used, quality = 0.98: HG3 GLN 26 + HB3 HIS 25 OK 88 89 100 99 4.3-6.8 4.9/89=65, 4184/1.8=45...(11) HG2 GLN 26 + HB3 HIS 25 OK 81 90 90 99 3.4-7.1 4.9/89=65, 4184/1.8=45...(12) HG2 GLU 67 - HB3 HIS 25 far 5 99 5 - 6.4-31.6 HG3 GLU 67 - HB3 HIS 25 far 3 65 5 - 6.7-33.3 Violated in 2 structures by 0.01 A. Peak 4183 from cnoeabs.peaks (2.00, 3.31, 31.20 ppm; 5.20 A): 2 out of 4 assignments used, quality = 0.87: HB3 GLN 26 + HB3 HIS 25 OK 67 71 95 99 3.6-6.7 3.9/89=77, 4185/1.8=43...(11) HB2 GLN 26 + HB3 HIS 25 OK 60 71 85 99 3.5-6.8 3.9/89=77, ~4187=44...(11) HB3 ARG 21 - HB3 HIS 25 lone 2 63 55 5 5.5-8.1 1411/4181=3 HB3 GLU 18 - HB3 HIS 25 far 0 100 0 - 9.6-12.3 Violated in 0 structures by 0.00 A. Peak 4184 from cnoeabs.peaks (2.28, 3.37, 31.20 ppm; 4.84 A): 2 out of 3 assignments used, quality = 1.00: HG2 GLN 26 + HB2 HIS 25 OK 95 97 100 99 3.2-6.1 4.9/88=54, 4189/3.0=41...(12) HG3 GLN 26 + HB2 HIS 25 OK 94 96 100 98 4.1-6.0 4.9/88=54, 4182/1.8=35...(11) HG2 GLU 67 - HB2 HIS 25 far 0 100 0 - 7.2-31.6 Violated in 0 structures by 0.00 A. Peak 4185 from cnoeabs.peaks (2.00, 3.37, 31.20 ppm; 4.86 A): 2 out of 3 assignments used, quality = 0.98: HB3 GLN 26 + HB2 HIS 25 OK 88 89 100 99 3.5-5.6 3.9/88=67, 4187/3.0=46...(11) HB2 GLN 26 + HB2 HIS 25 OK 87 89 100 98 3.2-5.8 3.9/88=67, ~4187=39...(11) HB3 GLU 18 - HB2 HIS 25 far 0 97 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. Peak 4187 from cnoeabs.peaks (4.69, 2.02, 31.80 ppm; 4.42 A): 2 out of 2 assignments used, quality = 0.73: HA HIS 25 + HB3 GLN 26 OK 66 96 75 92 4.6-6.2 4189/3.0=35, 3.6/580=34...(14) HA HIS 25 + HB2 GLN 26 OK 22 96 25 92 4.7-6.1 4189/3.0=35, 3.6/580=34...(14) Violated in 20 structures by 0.12 A. Peak 4188 from cnoeabs.peaks (4.58, 2.29, 34.10 ppm; 4.50 A): 2 out of 4 assignments used, quality = 0.99: HA LEU 29 + HG3 GLN 26 OK 94 100 95 99 2.7-6.0 4191/3.5=70, 4190/3.5=56...(15) HA LEU 29 + HG2 GLN 26 OK 84 100 85 99 3.1-6.1 4191/3.5=70, 4190/3.5=56...(15) HA SER 30 - HG3 GLN 26 far 0 57 0 - 6.3-8.9 HA SER 30 - HG2 GLN 26 far 0 57 0 - 7.0-8.8 Violated in 5 structures by 0.16 A. Peak 4189 from cnoeabs.peaks (4.68, 2.29, 34.10 ppm; 5.19 A): 2 out of 2 assignments used, quality = 0.85: HA HIS 25 + HG2 GLN 26 OK 79 80 100 98 5.3-6.4 4187/3.0=58, 3.6/583=42...(14) HA HIS 25 + HG3 GLN 26 OK 28 81 35 99 4.7-6.8 4187/3.0=58, 3.6/583=41...(15) Violated in 9 structures by 0.01 A. Peak 4192 from cnoeabs.peaks (4.59, 2.02, 31.80 ppm; 4.52 A): 2 out of 3 assignments used, quality = 1.00: HA LEU 29 + HB2 GLN 26 OK 95 100 100 95 3.6-5.1 4191/4.6=54, 4190/4.6=47...(12) HA LEU 29 + HB3 GLN 26 OK 95 100 100 95 3.6-5.4 4191/4.6=54, 4190/4.6=47...(12) HA LEU 29 - HB3 ARG 56 far 0 71 0 - 9.0-13.2 Violated in 4 structures by 0.02 A. Peak 4193 from cnoeabs.peaks (0.45, 2.02, 31.80 ppm; 4.14 A): 2 out of 3 assignments used, quality = 1.00: QD2 LEU 29 + HB2 GLN 26 OK 94 96 100 98 3.1-4.9 4195/4.6=43, 4196/4.6=41...(14) QD2 LEU 29 + HB3 GLN 26 OK 94 96 100 98 3.9-4.4 4195/4.6=43, 4196/4.6=41...(15) QD2 LEU 29 - HB3 ARG 56 far 0 65 0 - 8.2-11.7 Violated in 0 structures by 0.00 A. Peak 4194 from cnoeabs.peaks (0.45, 2.29, 34.10 ppm; 3.68 A): 2 out of 2 assignments used, quality = 0.94: QD2 LEU 29 + HG3 GLN 26 OK 77 99 80 98 2.6-5.5 4196/3.5=47, 4195/3.5=46...(18) QD2 LEU 29 + HG2 GLN 26 OK 73 99 75 99 2.1-6.1 4196/3.5=47, 4195/3.5=46...(20) Violated in 5 structures by 0.30 A. Peak 4197 from cnoeabs.peaks (2.72, 1.56, 32.95 ppm; 5.18 A): 2 out of 2 assignments used, quality = 1.00: HB3 TYR 28 + HB3 LYS 27 OK 100 100 100 100 4.1-4.7 2.5/4666=97, ~4667=74...(6) HD2 ARG 56 + HB3 LYS 27 OK 86 97 100 89 3.0-6.4 4198/1.8=38, 1.8/1624=34...(7) Violated in 0 structures by 0.00 A. Peak 4198 from cnoeabs.peaks (2.71, 1.42, 32.95 ppm; 4.74 A): 2 out of 2 assignments used, quality = 0.99: HB3 TYR 28 + HB2 LYS 27 OK 98 100 100 98 4.2-5.7 ~4666=70, 2.5/4667=58...(6) HD2 ARG 56 + HB2 LYS 27 OK 77 100 100 77 2.0-5.2 4197/1.8=31, ~1624=22...(7) Violated in 1 structures by 0.00 A. Peak 4200 from cnoeabs.peaks (7.75, 3.90, 56.76 ppm; 4.82 A): 1 out of 3 assignments used, quality = 0.98: QD PHE 52 + HA LYS 27 OK 98 100 100 98 2.2-4.7 2.2/4702=88...(6) H ARG 56 - HA LYS 27 poor 14 100 25 56 5.5-8.8 4672/4639=45, 4631/4629=20 H THR 59 - HA LYS 27 far 0 78 0 - 7.3-10.9 Violated in 0 structures by 0.00 A. Peak 4201 from cnoeabs.peaks (7.16, 3.90, 56.76 ppm; 4.13 A): 1 out of 2 assignments used, quality = 0.92: QE PHE 23 + HA LYS 27 OK 92 92 100 100 1.9-4.0 4639=92, 2.2/4629=80...(16) HZ PHE 52 - HA LYS 27 far 0 85 0 - 6.2-7.5 Violated in 0 structures by 0.00 A. Peak 4202 from cnoeabs.peaks (7.07, 3.90, 56.76 ppm; 4.01 A): 1 out of 1 assignment used, quality = 0.99: QD PHE 23 + HA LYS 27 OK 99 99 100 100 2.2-4.2 4629=98, 2.2/4639=74...(10) Violated in 1 structures by 0.01 A. Peak 4203 from cnoeabs.peaks (6.95, 3.90, 56.76 ppm; 4.87 A): 1 out of 3 assignments used, quality = 1.00: HZ PHE 23 + HA LYS 27 OK 100 100 100 100 3.5-5.3 2.2/4639=93, 3.8/4629=74...(10) HE3 TRP 51 - HA LYS 27 far 0 85 0 - 6.4-8.9 HE21 GLN 53 - HA LYS 27 far 0 87 0 - 9.1-14.6 Violated in 1 structures by 0.02 A. Peak 4204 from cnoeabs.peaks (7.15, 1.42, 32.95 ppm; 4.33 A): 2 out of 4 assignments used, quality = 0.94: QD TYR 28 + HB2 LYS 27 OK 76 76 100 100 2.4-4.1 4666/1.8=66, ~4670=57...(13) QE PHE 23 + HB2 LYS 27 OK 73 73 100 100 2.4-4.8 4201/3.0=63, 2.2/4205=54...(14) HZ PHE 52 - HB2 LYS 27 far 0 63 0 - 8.2-9.5 QD TYR 57 - HB2 LYS 27 far 0 100 0 - 8.9-13.1 Violated in 0 structures by 0.00 A. Peak 4205 from cnoeabs.peaks (6.93, 1.42, 32.95 ppm; 5.16 A): 1 out of 2 assignments used, quality = 0.87: HZ PHE 23 + HB2 LYS 27 OK 87 87 100 100 3.0-5.6 ~4639=60, 4657/3.8=57...(13) HE21 GLN 53 - HB2 LYS 27 far 0 100 0 - 7.6-14.3 Violated in 2 structures by 0.03 A. Peak 4206 from cnoeabs.peaks (7.13, 1.56, 32.95 ppm; 4.38 A): 1 out of 1 assignment used, quality = 1.00: QD TYR 28 + HB3 LYS 27 OK 100 100 100 100 2.0-2.5 4666=98, 4667/1.8=90...(12) Violated in 0 structures by 0.00 A. Peak 4207 from cnoeabs.peaks (6.79, 1.56, 32.95 ppm; 5.02 A): 1 out of 1 assignment used, quality = 1.00: QE TYR 28 + HB3 LYS 27 OK 100 100 100 100 2.6-3.3 4216=99, 2.2/4666=97...(10) Violated in 0 structures by 0.00 A. Peak 4208 from cnoeabs.peaks (7.16, 0.63, 24.91 ppm; 5.22 A): 1 out of 2 assignments used, quality = 0.92: QE PHE 23 + HG2 LYS 27 OK 92 92 100 100 4.2-6.2 4201/3.7=77, 4641/3.8=74...(17) HZ PHE 52 - HG2 LYS 27 far 0 85 0 - 8.7-11.2 Violated in 7 structures by 0.10 A. Peak 4209 from cnoeabs.peaks (7.17, 1.23, 28.52 ppm; 4.90 A): 1 out of 3 assignments used, quality = 0.99: QE PHE 23 + HD2 LYS 27 OK 99 99 100 100 2.4-5.2 2.2/4657=85, 4641/3.0=84...(17) HZ PHE 52 - HD2 LYS 27 far 0 97 0 - 8.1-10.7 QD TYR 57 - HD2 LYS 27 far 0 76 0 - 8.4-13.4 Violated in 1 structures by 0.02 A. Peak 4210 from cnoeabs.peaks (7.16, 1.33, 28.52 ppm; 4.85 A): 2 out of 7 assignments used, quality = 0.93: QE PHE 23 + HD3 LYS 27 OK 85 85 100 100 2.0-4.4 4641/3.0=71, 2.2/4211=71...(16) QD TYR 28 + HD3 LYS 27 OK 56 63 100 90 4.6-6.0 4666/3.8=42, 4667/3.8=38...(6) HZ PHE 52 - HG2 ARG 34 far 2 35 5 - 5.9-8.2 HZ PHE 52 - HD3 LYS 27 far 0 76 0 - 7.6-9.6 QD TYR 28 - HG2 ARG 34 far 0 28 0 - 8.4-10.5 QD TYR 57 - HD3 LYS 27 far 0 97 0 - 9.4-13.2 QE PHE 23 - HG2 ARG 34 far 0 41 0 - 9.7-12.3 Violated in 0 structures by 0.00 A. Peak 4211 from cnoeabs.peaks (6.96, 1.33, 28.52 ppm; 5.05 A): 1 out of 3 assignments used, quality = 0.87: HZ PHE 23 + HD3 LYS 27 OK 87 87 100 100 2.2-4.6 4657/1.8=75, 4647/3.0=60...(15) HE3 TRP 51 - HD3 LYS 27 far 0 100 0 - 7.1-10.0 HE3 TRP 51 - HG2 ARG 34 far 0 55 0 - 8.7-10.2 Violated in 0 structures by 0.00 A. Peak 4212 from cnoeabs.peaks (7.16, 1.16, 24.91 ppm; 5.29 A): 2 out of 4 assignments used, quality = 0.94: QE PHE 23 + HG3 LYS 27 OK 85 85 100 100 4.2-6.3 4208/1.8=82, 4201/3.7=78...(16) QD TYR 28 + HG3 LYS 27 OK 63 63 100 100 4.0-4.8 ~4670=62, 4199/591=58...(11) QD TYR 57 - HG3 LYS 27 far 0 97 0 - 9.4-14.8 HZ PHE 52 - HG3 LYS 27 far 0 76 0 - 9.5-11.1 Violated in 0 structures by 0.00 A. Peak 4215 from cnoeabs.peaks (2.84, 6.79, 117.91 ppm; 4.84 A): 2 out of 2 assignments used, quality = 0.82: HE2 LYS 27 + QE TYR 28 OK 59 92 85 76 3.0-6.9 5.2/4670=48, 5.2/4671=33...(5) HD3 ARG 56 + QE TYR 28 OK 56 90 80 77 3.0-8.0 1.8/1707=37, 3.0/4671=23...(7) Violated in 1 structures by 0.00 A. Peak 4216 from cnoeabs.peaks (1.56, 6.79, 117.91 ppm; 4.95 A): 1 out of 4 assignments used, quality = 0.92: HB3 LYS 27 + QE TYR 28 OK 92 92 100 100 2.6-3.3 4666/2.2=98, 4207=96...(10) HG2 LYS 49 - QE TYR 28 lone 1 87 35 2 4.7-11.8 QB ALA 31 - QE TYR 28 far 0 92 0 - 8.6-11.1 HG3 ARG 34 - QE TYR 28 far 0 60 0 - 9.1-11.6 Violated in 0 structures by 0.00 A. Peak 4217 from cnoeabs.peaks (1.43, 6.79, 117.91 ppm; 5.00 A): 2 out of 6 assignments used, quality = 0.92: HB2 LYS 27 + QE TYR 28 OK 87 87 100 100 2.6-4.2 4667/2.2=90, 1.8/4670=90...(8) HG3 ARG 56 + QE TYR 28 OK 37 60 75 83 2.8-7.5 3.0/4668=53, 3.0/1707=32...(7) HG3 LYS 60 - QE TYR 28 far 0 92 0 - 8.0-16.2 HG2 LYS 60 - QE TYR 28 far 0 92 0 - 8.1-16.5 HG3 LYS 62 - QE TYR 28 far 0 91 0 - 9.0-20.5 HG2 LYS 62 - QE TYR 28 far 0 91 0 - 9.3-20.4 Violated in 0 structures by 0.00 A. Peak 4221 from cnoeabs.peaks (1.57, 1.24, 44.31 ppm; 4.45 A): 1 out of 5 assignments used, quality = 0.96: HG3 ARG 34 + HB2 LEU 29 OK 96 96 100 100 3.3-4.7 4224/1.8=77, 4330/3.1=50...(15) HG LEU 37 - HB2 LEU 29 poor 19 93 20 - 5.4-7.6 QB ALA 31 - HB2 LEU 29 far 5 90 5 - 5.6-6.8 HG2 LYS 49 - HB2 LEU 29 far 0 100 0 - 8.1-11.4 HB3 LYS 27 - HB2 LEU 29 far 0 93 0 - 8.9-9.7 Violated in 2 structures by 0.01 A. Peak 4222 from cnoeabs.peaks (1.87, 1.24, 44.31 ppm; 3.86 A): 2 out of 4 assignments used, quality = 1.00: HB2 GLU 33 + HB2 LEU 29 OK 97 97 100 100 2.0-3.6 1.8/4296=60, 4309/1.8=55...(21) HB3 ARG 34 + HB2 LEU 29 OK 94 95 100 100 2.3-3.2 3.0/4221=48, 3.9/4314=45...(22) HB3 LYS 49 - HB2 LEU 29 far 0 98 0 - 7.5-9.5 HG LEU 41 - HB2 LEU 29 far 0 100 0 - 9.4-11.0 Violated in 0 structures by 0.00 A. Peak 4223 from cnoeabs.peaks (2.30, 1.24, 44.31 ppm; 3.99 A): 4 out of 5 assignments used, quality = 1.00: HB3 GLU 33 + HB2 LEU 29 OK 93 93 100 100 2.0-3.4 4296=73, 1.8/4308=55...(23) HG2 GLU 33 + HB2 LEU 29 OK 82 83 100 100 3.8-5.3 3.0/4296=51, 3.0/4308=45...(20) HG3 GLN 26 + HB2 LEU 29 OK 68 93 75 97 5.1-8.2 4194/3.1=28, 4188/3.0=24...(19) HG2 GLN 26 + HB2 LEU 29 OK 58 92 65 97 5.0-8.6 4194/3.1=27, ~4191=22...(19) HB3 PRO 32 - HB2 LEU 29 far 0 100 0 - 7.2-8.6 Violated in 0 structures by 0.00 A. Peak 4224 from cnoeabs.peaks (1.58, 1.46, 44.31 ppm; 4.47 A): 1 out of 5 assignments used, quality = 0.99: HG3 ARG 34 + HB3 LEU 29 OK 99 99 100 100 2.6-4.1 4221/1.8=78, 4.0/4318=53...(16) HG LEU 37 - HB3 LEU 29 far 13 87 15 - 5.3-7.6 QB ALA 31 - HB3 LEU 29 far 4 83 5 - 5.9-7.4 HG2 LYS 49 - HB3 LEU 29 far 0 99 0 - 6.6-9.8 HB3 LYS 27 - HB3 LEU 29 far 0 87 0 - 7.9-9.2 Violated in 0 structures by 0.00 A. Peak 4225 from cnoeabs.peaks (1.88, 1.46, 44.31 ppm; 4.00 A): 2 out of 4 assignments used, quality = 1.00: HB2 GLU 33 + HB3 LEU 29 OK 99 99 100 100 3.8-5.3 4309=70, 4308/1.8=62...(21) HB3 ARG 34 + HB3 LEU 29 OK 89 89 100 100 2.2-3.2 3.0/4318=52, 3.0/4224=52...(21) HB3 LYS 49 - HB3 LEU 29 far 0 100 0 - 6.1-8.1 HG LEU 41 - HB3 LEU 29 far 0 98 0 - 9.1-11.0 Violated in 0 structures by 0.00 A. Peak 4226 from cnoeabs.peaks (2.30, 1.46, 44.31 ppm; 4.52 A): 3 out of 5 assignments used, quality = 0.99: HB3 GLU 33 + HB3 LEU 29 OK 87 87 100 100 3.6-5.0 1.8/4309=79, 4296/1.8=79...(24) HG3 GLN 26 + HB3 LEU 29 OK 73 97 75 99 4.9-8.7 4194/3.1=37, 4188/3.0=32...(19) HG2 GLN 26 + HB3 LEU 29 OK 67 97 70 99 5.2-8.8 4194/3.1=35, ~4191=31...(19) HG2 GLU 33 - HB3 LEU 29 poor 18 73 25 - 5.4-7.0 HB3 PRO 32 - HB3 LEU 29 far 0 98 0 - 8.5-10.1 Violated in 2 structures by 0.01 A. Peak 4227 from cnoeabs.peaks (1.87, 0.74, 26.77 ppm; 3.98 A): 2 out of 4 assignments used, quality = 1.00: HB2 GLU 33 + HG LEU 29 OK 96 97 100 100 4.1-5.2 4306/2.1=69, 4307/2.1=56...(17) HB3 ARG 34 + HG LEU 29 OK 90 95 95 100 4.4-5.6 4327/2.1=47, 3.0/4239=40...(20) HB3 LYS 49 - HG LEU 29 far 0 98 0 - 7.2-9.7 HG LEU 41 - HG LEU 29 far 0 100 0 - 8.9-10.5 Violated in 19 structures by 0.37 A. Peak 4228 from cnoeabs.peaks (1.69, 0.15, 26.45 ppm; 4.90 A): 3 out of 9 assignments used, quality = 1.00: HG3 LYS 22 + QD1 LEU 29 OK 99 99 100 100 1.9-4.8 4810=90, 4155/2.1=88...(14) HB2 LEU 37 + QD1 LEU 29 OK 81 81 100 100 2.2-4.2 3.1/4376=81, 1.8/4372=78...(13) HG2 LYS 22 + QD1 LEU 29 OK 60 60 100 100 1.9-3.8 1.8/4810=76, ~4155=67...(12) HD3 LYS 49 - QD1 LEU 29 far 4 89 5 - 6.3-9.8 HD2 LYS 49 - QD1 LEU 29 far 0 87 0 - 6.7-9.4 HD3 LYS 39 - QD1 LEU 29 far 0 98 0 - 7.9-10.3 HD2 LYS 39 - QD1 LEU 29 far 0 98 0 - 8.1-11.2 HG13 ILE 50 - QD1 LEU 29 far 0 99 0 - 8.8-11.2 HD2 LYS 62 - QD1 LEU 29 far 0 92 0 - 9.5-21.6 Violated in 0 structures by 0.00 A. Peak 4229 from cnoeabs.peaks (1.87, 0.15, 26.45 ppm; 4.73 A): 3 out of 5 assignments used, quality = 1.00: HB2 GLU 33 + QD1 LEU 29 OK 97 97 100 100 3.0-4.4 4307=94, 4306/2.1=87...(20) HB3 ARG 34 + QD1 LEU 29 OK 95 95 100 100 2.0-4.0 4327=87, 3.0/4326=85...(20) HG LEU 41 + QD1 LEU 29 OK 34 100 55 61 5.8-6.9 4790/4379=61 HB3 LYS 49 - QD1 LEU 29 far 10 98 10 - 5.4-7.6 HG2 ARG 21 - QD1 LEU 29 far 0 95 0 - 7.9-10.6 Violated in 0 structures by 0.00 A. Peak 4230 from cnoeabs.peaks (0.99, 0.15, 26.45 ppm; 3.66 A): 2 out of 3 assignments used, quality = 0.99: QG1 VAL 48 + QD1 LEU 29 OK 95 97 100 99 2.1-3.0 4581=89, 4853/4326=33...(10) QD1 LEU 37 + QD1 LEU 29 OK 72 73 100 98 3.0-4.4 2.1/4376=64, 4379=41...(13) QG2 VAL 16 - QD1 LEU 29 far 0 65 0 - 8.5-9.3 Violated in 0 structures by 0.00 A. Peak 4231 from cnoeabs.peaks (0.92, 0.15, 26.45 ppm; 3.97 A): 1 out of 2 assignments used, quality = 1.00: QD2 LEU 37 + QD1 LEU 29 OK 100 100 100 100 1.8-3.9 4376=97, 4232/2.1=71...(17) QG2 ILE 50 - QD1 LEU 29 far 0 99 0 - 8.7-9.6 Violated in 0 structures by 0.00 A. Peak 4232 from cnoeabs.peaks (0.92, 0.46, 23.31 ppm; 3.96 A): 1 out of 3 assignments used, quality = 0.99: QD2 LEU 37 + QD2 LEU 29 OK 99 99 100 100 3.0-4.5 4376/2.1=75, ~4379=42...(22) QG2 VAL 48 - QD2 LEU 29 far 3 63 5 - 5.3-6.5 QD1 LEU 64 - QD2 LEU 29 far 0 87 0 - 9.7-23.8 Violated in 3 structures by 0.07 A. Peak 4233 from cnoeabs.peaks (1.68, 0.46, 23.31 ppm; 3.85 A): 2 out of 7 assignments used, quality = 1.00: HG3 LYS 22 + QD2 LEU 29 OK 100 100 100 100 1.9-5.1 4155=77, 1.8/4153=61...(15) HB2 LEU 37 + QD2 LEU 29 OK 90 96 95 99 3.2-5.7 3.1/4232=54, 4373/2.1=41...(18) HD3 LYS 49 - QD2 LEU 29 far 0 68 0 - 8.4-12.0 HD2 LYS 49 - QD2 LEU 29 far 0 65 0 - 8.5-11.8 HD3 LYS 39 - QD2 LEU 29 far 0 87 0 - 8.5-11.1 HD2 LYS 39 - QD2 LEU 29 far 0 87 0 - 8.9-12.0 HD2 LYS 62 - QD2 LEU 29 far 0 99 0 - 9.7-21.6 Violated in 1 structures by 0.01 A. Peak 4234 from cnoeabs.peaks (1.88, 0.46, 23.31 ppm; 3.85 A): 2 out of 5 assignments used, quality = 1.00: HB2 GLU 33 + QD2 LEU 29 OK 100 100 100 100 1.9-2.8 4306=92, 1.8/4310=59...(19) HB3 ARG 34 + QD2 LEU 29 OK 78 78 100 100 4.2-4.9 3.0/4242=42, ~4325=36...(22) HG LEU 41 - QD2 LEU 29 far 0 93 0 - 7.2-8.8 HB3 LYS 49 - QD2 LEU 29 far 0 100 0 - 7.8-9.5 HG2 ARG 21 - QD2 LEU 29 far 0 78 0 - 8.5-9.7 Violated in 0 structures by 0.00 A. Peak 4235 from cnoeabs.peaks (2.00, 0.46, 23.31 ppm; 4.05 A): 2 out of 5 assignments used, quality = 0.98: HB2 GLN 26 + QD2 LEU 29 OK 86 89 100 97 3.1-4.9 4.6/4196=44, 4.6/4195=42...(14) HB3 GLN 26 + QD2 LEU 29 OK 86 89 100 97 3.9-4.4 4.6/4196=44, 4.6/4195=42...(15) HG2 PRO 32 - QD2 LEU 29 far 0 73 0 - 6.1-8.0 HB3 GLU 18 - QD2 LEU 29 far 0 97 0 - 7.3-8.8 HB2 GLU 18 - QD2 LEU 29 far 0 97 0 - 8.5-9.7 Violated in 3 structures by 0.00 A. Peak 4236 from cnoeabs.peaks (2.29, 0.46, 23.31 ppm; 3.58 A): 3 out of 6 assignments used, quality = 0.98: HG3 GLN 26 + QD2 LEU 29 OK 79 100 80 98 2.6-5.5 3.5/4196=48, 4194=46...(18) HG2 GLN 26 + QD2 LEU 29 OK 74 100 75 99 2.1-6.1 3.5/4196=48, 4194=44...(20) HB3 GLU 33 + QD2 LEU 29 OK 65 65 100 100 2.0-3.3 1.8/4306=61, 3.0/4313=34...(23) HB3 PRO 32 - QD2 LEU 29 far 0 87 0 - 6.7-8.3 HG2 GLU 67 - QD2 LEU 29 far 0 97 0 - 9.1-26.3 HG2 GLU 18 - QD2 LEU 29 far 0 93 0 - 9.6-11.0 Violated in 0 structures by 0.00 A. Peak 4237 from cnoeabs.peaks (3.79, 1.24, 44.31 ppm; 4.96 A): 1 out of 2 assignments used, quality = 1.00: HA ARG 34 + HB2 LEU 29 OK 100 100 100 100 2.5-3.8 4318/1.8=92, 4326/3.1=88...(22) HD3 PRO 32 - HB2 LEU 29 far 5 97 5 - 6.3-7.9 Violated in 0 structures by 0.00 A. Peak 4238 from cnoeabs.peaks (3.80, 1.46, 44.31 ppm; 4.80 A): 1 out of 3 assignments used, quality = 0.99: HA ARG 34 + HB3 LEU 29 OK 99 99 100 100 2.6-4.2 4318=97, 4326/3.1=83...(25) HD3 PRO 32 - HB3 LEU 29 far 0 100 0 - 7.6-9.3 HA ILE 50 - HB3 LEU 29 far 0 73 0 - 10.0-11.8 Violated in 0 structures by 0.00 A. Peak 4239 from cnoeabs.peaks (3.79, 0.74, 26.77 ppm; 5.12 A): 1 out of 3 assignments used, quality = 1.00: HA ARG 34 + HG LEU 29 OK 100 100 100 100 4.3-4.8 4326/2.1=99, 4242/2.1=82...(22) HD3 PRO 32 - HG LEU 29 far 0 97 0 - 9.1-10.8 HA ILE 50 - HG LEU 29 far 0 92 0 - 10.0-12.2 Violated in 0 structures by 0.00 A. Peak 4240 from cnoeabs.peaks (3.79, 0.15, 26.45 ppm; 3.75 A): 1 out of 4 assignments used, quality = 1.00: HA ARG 34 + QD1 LEU 29 OK 100 100 100 100 1.9-2.4 4326=100, 4318/3.1=45...(29) HD3 PRO 32 - QD1 LEU 29 far 0 99 0 - 7.6-9.0 HA ILE 50 - QD1 LEU 29 far 0 85 0 - 8.4-9.9 HA GLN 15 - QD1 LEU 29 far 0 100 0 - 9.0-11.0 Violated in 0 structures by 0.00 A. Peak 4241 from cnoeabs.peaks (4.07, 0.46, 23.31 ppm; 5.11 A): 2 out of 5 assignments used, quality = 1.00: HA GLU 33 + QD2 LEU 29 OK 100 100 100 100 3.5-4.5 4305=85, 3.0/4306=81...(19) HA LEU 37 + QD2 LEU 29 OK 88 99 90 99 5.2-6.8 1942/4232=76, ~4373=48...(10) HA SER 24 - QD2 LEU 29 far 0 97 0 - 7.0-7.8 HA ARG 21 - QD2 LEU 29 far 0 100 0 - 7.1-8.5 HA ARG 56 - QD2 LEU 29 far 0 96 0 - 9.8-12.1 Violated in 0 structures by 0.00 A. Peak 4242 from cnoeabs.peaks (3.78, 0.46, 23.31 ppm; 4.82 A): 1 out of 3 assignments used, quality = 0.99: HA ARG 34 + QD2 LEU 29 OK 99 99 100 100 3.3-4.3 4326/2.1=96, 4318/3.1=71...(29) HD3 PRO 32 - QD2 LEU 29 far 0 90 0 - 6.6-8.2 HA PHE 52 - QD2 LEU 29 far 0 65 0 - 6.9-8.3 Violated in 0 structures by 0.00 A. Peak 4243 from cnoeabs.peaks (2.94, 0.46, 23.31 ppm; 4.29 A): 1 out of 2 assignments used, quality = 0.99: HE3 LYS 22 + QD2 LEU 29 OK 99 99 100 100 2.0-4.4 4811=97, 1.8/4778=88...(10) HB2 TYR 28 - QD2 LEU 29 far 10 100 10 - 5.5-6.6 Violated in 3 structures by 0.01 A. Peak 4244 from cnoeabs.peaks (2.81, 0.46, 23.31 ppm; 4.10 A): 1 out of 1 assignment used, quality = 1.00: HE2 LYS 22 + QD2 LEU 29 OK 100 100 100 100 1.9-4.1 4778=98, 1.8/4811=73...(11) Violated in 0 structures by 0.00 A. Peak 4245 from cnoeabs.peaks (8.73, 1.24, 44.31 ppm; 4.48 A): 1 out of 1 assignment used, quality = 1.00: H ARG 34 + HB2 LEU 29 OK 100 100 100 100 2.3-3.1 4314=99, 4246/1.8=70...(19) Violated in 0 structures by 0.00 A. Peak 4246 from cnoeabs.peaks (8.73, 1.46, 44.31 ppm; 4.78 A): 1 out of 1 assignment used, quality = 1.00: H ARG 34 + HB3 LEU 29 OK 100 100 100 100 3.3-4.5 4314/1.8=95, 2.9/4318=73...(16) Violated in 0 structures by 0.00 A. Peak 4247 from cnoeabs.peaks (7.74, 0.15, 26.45 ppm; 5.19 A): 1 out of 2 assignments used, quality = 0.99: QD PHE 52 + QD1 LEU 29 OK 99 99 100 100 3.5-4.3 2.2/4248=88...(7) H ARG 56 - QD1 LEU 29 far 0 99 0 - 8.8-10.3 Violated in 0 structures by 0.00 A. Peak 4248 from cnoeabs.peaks (7.54, 0.15, 26.45 ppm; 4.54 A): 1 out of 2 assignments used, quality = 0.99: QE PHE 52 + QD1 LEU 29 OK 99 99 100 100 2.4-3.1 4724/2.1=72, 2.2/4249=71...(12) H GLU 18 - QD1 LEU 29 far 0 90 0 - 8.3-10.1 Violated in 0 structures by 0.00 A. Peak 4249 from cnoeabs.peaks (7.17, 0.15, 26.45 ppm; 4.67 A): 1 out of 2 assignments used, quality = 0.99: HZ PHE 52 + QD1 LEU 29 OK 99 99 100 100 1.9-3.4 4648=82, 2.2/4248=76...(14) QE PHE 23 - QD1 LEU 29 far 5 100 5 - 6.1-7.6 Violated in 0 structures by 0.00 A. Peak 4250 from cnoeabs.peaks (7.76, 0.46, 23.31 ppm; 4.99 A): 1 out of 2 assignments used, quality = 0.95: QD PHE 52 + QD2 LEU 29 OK 95 96 100 100 3.7-5.5 2.2/4724=84, ~4708=65...(6) H ARG 56 - QD2 LEU 29 far 0 96 0 - 9.4-11.2 Violated in 5 structures by 0.07 A. Peak 4251 from cnoeabs.peaks (7.64, 0.46, 23.31 ppm; 3.88 A): 2 out of 2 assignments used, quality = 1.00: HE22 GLN 26 + QD2 LEU 29 OK 100 100 100 100 1.9-3.6 4196=99, 1.7/4195=74...(12) H HIS 25 + QD2 LEU 29 OK 27 99 95 29 4.6-5.9 877/1751=20, 1587/4194=5...(4) Violated in 0 structures by 0.00 A. Peak 4252 from cnoeabs.peaks (7.50, 0.46, 23.31 ppm; 4.40 A): 2 out of 2 assignments used, quality = 0.91: QE PHE 52 + QD2 LEU 29 OK 71 71 100 100 2.4-3.8 2.2/4647=64, 2.2/4250=59...(14) H TYR 28 + QD2 LEU 29 OK 70 100 100 70 4.6-5.7 4.5/608=45, 4218/4194=14...(6) Violated in 0 structures by 0.00 A. Peak 4253 from cnoeabs.peaks (7.41, 0.46, 23.31 ppm; 4.32 A): 1 out of 1 assignment used, quality = 1.00: HE21 GLN 26 + QD2 LEU 29 OK 100 100 100 100 2.4-4.8 4195=99, 1.7/4196=93...(12) Violated in 4 structures by 0.05 A. Peak 4254 from cnoeabs.peaks (7.18, 0.46, 23.31 ppm; 4.23 A): 2 out of 3 assignments used, quality = 1.00: HZ PHE 52 + QD2 LEU 29 OK 100 100 100 100 3.2-4.4 4647=69, 2.2/4724=64...(13) H GLU 33 + QD2 LEU 29 OK 58 60 100 97 4.6-5.1 4.0/4306=50, 4.0/4310=47...(9) QE PHE 23 - QD2 LEU 29 far 0 99 0 - 6.3-7.9 Violated in 0 structures by 0.00 A. Peak 4255 from cnoeabs.peaks (8.04, 0.46, 23.31 ppm; 6.00 A): 2 out of 5 assignments used, quality = 0.99: H LYS 22 + QD2 LEU 29 OK 99 99 100 100 4.9-6.1 558/4155=83, 557/4153=80...(8) H LEU 37 + QD2 LEU 29 OK 59 60 100 98 4.5-5.8 4.5/4232=83, 4.0/4233=43...(7) H ASN 40 - QD2 LEU 29 far 0 83 0 - 7.9-9.3 H LEU 41 - QD2 LEU 29 far 0 85 0 - 8.4-9.7 H GLN 53 - QD2 LEU 29 far 0 100 0 - 8.4-10.2 Violated in 0 structures by 0.00 A. 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 98 100 100 3.3-4.3 4316=95, 2.9/4326=94...(16) Violated in 0 structures by 0.00 A. Peak 4263 from cnoeabs.peaks (2.31, 4.01, 64.90 ppm; 5.02 A): 3 out of 5 assignments used, quality = 0.99: HB3 GLU 33 + HB2 SER 30 OK 92 97 100 95 2.3-6.1 4302/611=68...(8) HG2 GLU 33 + HB2 SER 30 OK 75 90 100 83 2.8-5.8 4303/4.0=46, 4267/1.8=24...(7) HB3 PRO 32 + HB2 SER 30 OK 70 100 70 100 4.9-6.9 3.0/4291=85, 3.0/4867=77...(11) HG3 GLN 26 - HB2 SER 30 far 0 87 0 - 6.6-9.4 HG2 GLN 26 - HB2 SER 30 far 0 85 0 - 7.2-9.4 Violated in 0 structures by 0.00 A. Peak 4264 from cnoeabs.peaks (1.55, 4.01, 64.90 ppm; 4.94 A): 1 out of 2 assignments used, quality = 0.97: QB ALA 31 + HB2 SER 30 OK 97 97 100 100 3.3-5.1 4269/1.8=80, 2.9/124=77...(10) HB3 LYS 27 - HB2 SER 30 far 0 95 0 - 9.7-12.4 Violated in 3 structures by 0.01 A. Peak 4265 from cnoeabs.peaks (3.91, 4.22, 64.90 ppm; 3.78 A): 1 out of 1 assignment used, quality = 1.00: HD2 PRO 32 + HB3 SER 30 OK 100 100 100 100 2.0-3.8 4291/1.8=71, 1.8/4266=62...(14) Violated in 1 structures by 0.00 A. Peak 4266 from cnoeabs.peaks (3.80, 4.22, 64.90 ppm; 4.21 A): 1 out of 2 assignments used, quality = 1.00: HD3 PRO 32 + HB3 SER 30 OK 100 100 100 100 2.1-5.3 1.8/4265=86, 4867/1.8=71...(13) HA ARG 34 - HB3 SER 30 far 0 96 0 - 6.3-8.0 Violated in 4 structures by 0.09 A. Peak 4267 from cnoeabs.peaks (2.32, 4.22, 64.90 ppm; 5.08 A): 3 out of 5 assignments used, quality = 1.00: HB3 GLU 33 + HB3 SER 30 OK 98 100 100 98 2.1-4.7 4302/4.0=71, 4263/1.8=30...(15) HB3 PRO 32 + HB3 SER 30 OK 94 99 95 100 4.8-6.8 3.0/4265=88, 3.0/4266=82...(13) HG2 GLU 33 + HB3 SER 30 OK 92 99 100 93 2.0-5.7 4303/4.0=54, 4263/1.8=25...(10) HG3 GLN 26 - HB3 SER 30 far 0 65 0 - 6.9-9.3 HG2 GLN 26 - HB3 SER 30 far 0 63 0 - 7.1-9.6 Violated in 0 structures by 0.00 A. Peak 4268 from cnoeabs.peaks (2.12, 4.22, 64.90 ppm; 5.18 A): 1 out of 1 assignment used, quality = 0.87: HG3 PRO 32 + HB3 SER 30 OK 87 87 100 100 2.6-4.8 2.3/4265=97, 2.3/4266=92...(12) Violated in 0 structures by 0.00 A. Peak 4269 from cnoeabs.peaks (1.55, 4.22, 64.90 ppm; 4.84 A): 1 out of 2 assignments used, quality = 1.00: QB ALA 31 + HB3 SER 30 OK 100 100 100 100 3.4-4.9 4274/4266=78...(13) HG LEU 37 - HB3 SER 30 far 0 100 0 - 9.9-13.0 Violated in 1 structures by 0.00 A. Peak 4273 from cnoeabs.peaks (3.91, 1.56, 15.32 ppm; 3.49 A): 1 out of 2 assignments used, quality = 1.00: HD2 PRO 32 + QB ALA 31 OK 100 100 100 100 2.0-2.7 4289=99, 1.8/4274=86...(15) HA THR 46 - QB ALA 31 far 0 97 0 - 9.2-11.3 Violated in 0 structures by 0.00 A. Peak 4274 from cnoeabs.peaks (3.80, 1.56, 15.32 ppm; 2.92 A): 1 out of 2 assignments used, quality = 0.99: HD3 PRO 32 + QB ALA 31 OK 99 100 100 99 1.9-2.6 4290=80, 1.8/4273=50...(14) HA ARG 34 - QB ALA 31 far 0 95 0 - 6.8-7.3 Violated in 0 structures by 0.00 A. Peak 4275 from cnoeabs.peaks (2.32, 1.56, 15.32 ppm; 4.70 A): 2 out of 5 assignments used, quality = 1.00: HB3 PRO 32 + QB ALA 31 OK 99 99 100 100 4.0-5.0 3.0/4274=93, 3.0/4273=85...(14) HB3 GLU 33 + QB ALA 31 OK 79 100 90 88 5.5-7.2 4.6/4283=41...(10) HG2 GLU 33 - QB ALA 31 far 10 99 10 - 5.5-7.5 HG3 GLN 26 - QB ALA 31 far 0 65 0 - 9.4-11.5 HG2 GLN 26 - QB ALA 31 far 0 63 0 - 9.8-11.5 Violated in 5 structures by 0.00 A. Peak 4276 from cnoeabs.peaks (2.10, 1.56, 15.32 ppm; 4.41 A): 1 out of 3 assignments used, quality = 1.00: HG3 PRO 32 + QB ALA 31 OK 100 100 100 100 3.8-4.3 2.3/4274=97, 2.3/4273=89...(14) HG3 GLU 45 - QB ALA 31 far 0 63 0 - 6.0-7.1 HB2 LYS 49 - QB ALA 31 far 0 63 0 - 9.5-12.0 Violated in 0 structures by 0.00 A. Peak 4278 from cnoeabs.peaks (1.96, 1.56, 15.32 ppm; 4.06 A): 2 out of 3 assignments used, quality = 0.95: HG2 PRO 32 + QB ALA 31 OK 83 83 100 100 3.9-4.3 2.3/4274=91, 2.3/4273=81...(12) HB2 ARG 34 + QB ALA 31 OK 72 76 100 95 4.9-5.5 3722/2.1=53, ~3723=45...(7) HD3 LYS 22 - QB ALA 31 far 0 100 0 - 9.6-12.7 Violated in 0 structures by 0.00 A. Peak 4280 from cnoeabs.peaks (3.81, 4.21, 57.19 ppm; 4.66 A): 1 out of 2 assignments used, quality = 0.96: HD3 PRO 32 + HA ALA 31 OK 96 96 100 100 3.8-4.1 3.8=100 HA ARG 34 - HA ALA 31 far 4 78 5 - 6.1-6.6 Violated in 0 structures by 0.00 A. 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 96 100 100 3.7-3.8 4.5=100 Violated in 0 structures by 0.00 A. Peak 4282 from cnoeabs.peaks (4.55, 1.56, 15.32 ppm; 4.73 A): 1 out of 1 assignment used, quality = 0.99: HA SER 30 + QB ALA 31 OK 99 100 100 100 4.2-4.3 4866/4274=78...(10) Violated in 0 structures by 0.00 A. Peak 4283 from cnoeabs.peaks (8.72, 1.56, 15.32 ppm; 5.32 A): 1 out of 1 assignment used, quality = 0.98: H ARG 34 + QB ALA 31 OK 98 99 100 100 4.8-5.3 3720/2.1=89, 884/4284=67...(9) Violated in 0 structures by 0.00 A. Peak 4284 from cnoeabs.peaks (8.16, 1.56, 15.32 ppm; 5.06 A): 1 out of 2 assignments used, quality = 0.95: H ALA 35 + QB ALA 31 OK 95 97 100 99 4.9-5.3 3725/2.1=77, 980/4.5=63...(11) H THR 46 - QB ALA 31 far 0 83 0 - 9.4-11.1 Violated in 14 structures by 0.09 A. Peak 4285 from cnoeabs.peaks (9.18, 3.91, 50.04 ppm; 4.33 A): 1 out of 1 assignment used, quality = 1.00: H ALA 31 + HD2 PRO 32 OK 100 100 100 100 1.8-3.2 4270=100, 4271/1.8=79...(15) Violated in 0 structures by 0.00 A. Peak 4286 from cnoeabs.peaks (9.20, 3.80, 50.04 ppm; 4.38 A): 1 out of 1 assignment used, quality = 0.92: H ALA 31 + HD3 PRO 32 OK 92 92 100 100 2.2-3.3 2.9/4274=88, 4271=87...(15) Violated in 0 structures by 0.00 A. Peak 4289 from cnoeabs.peaks (1.55, 3.91, 50.04 ppm; 3.48 A): 1 out of 1 assignment used, quality = 0.99: QB ALA 31 + HD2 PRO 32 OK 99 99 100 100 2.0-2.7 4273=98, 4274/1.8=85...(15) Violated in 0 structures by 0.00 A. Peak 4290 from cnoeabs.peaks (1.55, 3.80, 50.04 ppm; 3.08 A): 1 out of 1 assignment used, quality = 0.96: QB ALA 31 + HD3 PRO 32 OK 96 97 100 100 1.9-2.6 4274=94, 4289/1.8=56...(14) Violated in 0 structures by 0.00 A. Peak 4291 from cnoeabs.peaks (4.01, 3.91, 50.04 ppm; 3.89 A): 1 out of 1 assignment used, quality = 0.99: HB2 SER 30 + HD2 PRO 32 OK 99 100 100 100 2.0-4.3 1.8/4265=78, 4867/1.8=59...(14) Violated in 1 structures by 0.02 A. Peak 4292 from cnoeabs.peaks (4.21, 3.91, 50.04 ppm; 3.61 A): 2 out of 2 assignments used, quality = 1.00: HA ALA 31 + HD2 PRO 32 OK 100 100 100 100 3.7-4.1 3.8=88, 2.1/4289=71...(17) HB3 SER 30 + HD2 PRO 32 OK 98 98 100 100 2.0-3.8 4265=85, 1.8/4291=65...(14) Violated in 0 structures by 0.00 A. Peak 4293 from cnoeabs.peaks (4.22, 3.80, 50.04 ppm; 3.88 A): 2 out of 2 assignments used, quality = 1.00: HB3 SER 30 + HD3 PRO 32 OK 100 100 100 100 2.1-5.3 4266=78, 4265/1.8=77...(13) HA ALA 31 + HD3 PRO 32 OK 98 98 100 100 3.8-4.1 3.8=100 Violated in 1 structures by 0.00 A. Peak 4294 from cnoeabs.peaks (1.59, 4.38, 65.82 ppm; 4.74 A): 0 out of 3 assignments used, quality = 0.00: HB2 LEU 41 - HB2 SER 12 far 0 50 0 - 6.8-9.8 HG3 ARG 34 - HA PRO 32 far 0 98 0 - 7.7-8.5 HB3 LEU 43 - HB2 SER 12 far 0 69 0 - 8.9-12.1 Violated in 20 structures by 2.41 A. Peak 4295 from cnoeabs.peaks (1.47, 2.31, 30.88 ppm; 4.45 A): 2 out of 4 assignments used, quality = 0.99: HB3 LEU 29 + HB3 GLU 33 OK 92 92 100 100 3.6-5.0 1.8/4296=79, 4309/1.8=75...(24) QB ALA 35 + HB3 PRO 32 OK 82 85 100 96 4.3-4.9 3729/2.3=73, ~980=44...(8) QB ALA 35 - HB3 GLU 33 poor 19 75 25 - 5.7-6.7 HB3 LEU 29 - HB3 PRO 32 far 0 99 0 - 8.5-10.1 Violated in 0 structures by 0.00 A. Peak 4296 from cnoeabs.peaks (1.24, 2.31, 30.88 ppm; 4.39 A): 1 out of 2 assignments used, quality = 0.92: HB2 LEU 29 + HB3 GLU 33 OK 92 92 100 100 2.0-3.4 4308/1.8=74, ~4309=55...(23) HB2 LEU 29 - HB3 PRO 32 far 0 99 0 - 7.2-8.6 Violated in 0 structures by 0.00 A. Peak 4297 from cnoeabs.peaks (1.55, 1.98, 28.38 ppm; 4.77 A): 1 out of 1 assignment used, quality = 0.99: QB ALA 31 + HG2 PRO 32 OK 99 99 100 100 3.9-4.3 4274/2.3=98, 4289/2.3=95...(12) Violated in 0 structures by 0.00 A. Peak 4298 from cnoeabs.peaks (1.56, 2.10, 28.38 ppm; 4.73 A): 1 out of 2 assignments used, quality = 0.99: QB ALA 31 + HG3 PRO 32 OK 99 99 100 100 3.8-4.3 4276=99, 4274/2.3=98...(14) HG3 ARG 34 - HG3 PRO 32 far 0 81 0 - 8.8-10.5 Violated in 0 structures by 0.00 A. Peak 4301 from cnoeabs.peaks (8.98, 1.88, 30.88 ppm; 4.23 A): 1 out of 2 assignments used, quality = 1.00: H SER 30 + HB2 GLU 33 OK 100 100 100 100 1.9-4.3 4260=99, 4302/1.8=80...(12) H PHE 23 - HB2 GLU 33 far 0 87 0 - 7.7-9.5 Violated in 1 structures by 0.00 A. Peak 4302 from cnoeabs.peaks (8.97, 2.32, 30.88 ppm; 4.10 A): 1 out of 3 assignments used, quality = 0.99: H SER 30 + HB3 GLU 33 OK 99 99 100 100 1.9-3.3 4260/1.8=80, 4261/3.0=53...(15) H SER 30 - HB3 PRO 32 far 0 92 0 - 6.5-7.9 H PHE 23 - HB3 GLU 33 far 0 78 0 - 8.4-10.6 Violated in 0 structures by 0.00 A. Peak 4303 from cnoeabs.peaks (8.96, 2.32, 37.36 ppm; 5.25 A): 1 out of 1 assignment used, quality = 0.92: H SER 30 + HG2 GLU 33 OK 92 92 100 100 2.1-4.6 4304/1.8=84, 4302/3.0=83...(12) Violated in 0 structures by 0.00 A. Peak 4304 from cnoeabs.peaks (8.97, 2.23, 37.36 ppm; 4.94 A): 1 out of 2 assignments used, quality = 0.99: H SER 30 + HG3 GLU 33 OK 99 99 100 100 2.7-4.6 4261=94, 4260/3.0=83...(9) H PHE 23 - HG3 GLU 33 far 0 78 0 - 8.9-12.2 Violated in 0 structures by 0.00 A. Peak 4305 from cnoeabs.peaks (0.45, 4.07, 58.90 ppm; 4.80 A): 1 out of 1 assignment used, quality = 0.90: QD2 LEU 29 + HA GLU 33 OK 90 90 100 100 3.5-4.5 4306/1827=81...(19) Violated in 0 structures by 0.00 A. Peak 4306 from cnoeabs.peaks (0.45, 1.88, 30.88 ppm; 3.86 A): 1 out of 1 assignment used, quality = 0.96: QD2 LEU 29 + HB2 GLU 33 OK 96 96 100 100 1.9-2.8 4310/1.8=60, 2.1/4307=56...(19) Violated in 0 structures by 0.00 A. Peak 4307 from cnoeabs.peaks (0.14, 1.88, 30.88 ppm; 4.45 A): 1 out of 1 assignment used, quality = 0.99: QD1 LEU 29 + HB2 GLU 33 OK 99 99 100 100 3.0-4.4 2.1/4306=86, 3.1/4308=61...(20) Violated in 0 structures by 0.00 A. Peak 4308 from cnoeabs.peaks (1.23, 1.88, 30.88 ppm; 4.46 A): 1 out of 1 assignment used, quality = 0.92: HB2 LEU 29 + HB2 GLU 33 OK 92 92 100 100 2.0-3.6 1.8/4309=78, 4296/1.8=77...(21) Violated in 0 structures by 0.00 A. Peak 4309 from cnoeabs.peaks (1.46, 1.88, 30.88 ppm; 4.47 A): 1 out of 2 assignments used, quality = 1.00: HB3 LEU 29 + HB2 GLU 33 OK 100 100 100 100 3.8-5.3 1.8/4308=78, 3.1/4306=72...(21) QB ALA 35 - HB2 GLU 33 far 0 65 0 - 6.1-6.6 Violated in 10 structures by 0.21 A. Peak 4310 from cnoeabs.peaks (0.45, 2.32, 30.88 ppm; 4.39 A): 1 out of 2 assignments used, quality = 0.99: QD2 LEU 29 + HB3 GLU 33 OK 99 99 100 100 2.0-3.3 4306/1.8=88, 4313/3.0=54...(23) QD2 LEU 29 - HB3 PRO 32 far 0 92 0 - 6.7-8.3 Violated in 0 structures by 0.00 A. Peak 4311 from cnoeabs.peaks (1.22, 2.32, 37.36 ppm; 5.68 A): 1 out of 1 assignment used, quality = 0.73: HB2 LEU 29 + HG2 GLU 33 OK 73 73 100 100 3.8-5.3 4308/3.0=85, 3.1/4312=80...(20) Violated in 0 structures by 0.00 A. Peak 4312 from cnoeabs.peaks (0.45, 2.32, 37.36 ppm; 4.97 A): 1 out of 1 assignment used, quality = 0.96: QD2 LEU 29 + HG2 GLU 33 OK 96 96 100 100 2.5-4.4 4306/3.0=85, 4313/1.8=79...(19) Violated in 0 structures by 0.00 A. Peak 4313 from cnoeabs.peaks (0.46, 2.23, 37.36 ppm; 4.88 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 29 + HG3 GLU 33 OK 100 100 100 100 2.8-4.7 4306/3.0=79, 4312/1.8=74...(19) Violated in 0 structures by 0.00 A. Peak 4317 from cnoeabs.peaks (1.21, 3.79, 59.87 ppm; 4.36 A): 0 out of 1 assignment used, quality = 0.00: HB2 LEU 43 - HA ARG 34 far 0 90 0 - 8.0-9.4 Violated in 20 structures by 4.20 A. Peak 4318 from cnoeabs.peaks (1.46, 3.79, 59.87 ppm; 4.35 A): 1 out of 3 assignments used, quality = 0.99: HB3 LEU 29 + HA ARG 34 OK 99 99 100 100 2.6-4.2 3.1/4326=75, 4238=72...(25) HB3 LEU 41 - HA ARG 34 far 0 63 0 - 8.3-10.3 HG2 LYS 39 - HA ARG 34 far 0 71 0 - 9.6-10.8 Violated in 0 structures by 0.00 A. Peak 4319 from cnoeabs.peaks (0.98, 3.79, 59.87 ppm; 3.86 A): 3 out of 3 assignments used, quality = 0.95: QG1 VAL 48 + HA ARG 34 OK 82 85 100 96 3.0-3.8 4853=56, 4329/4.0=43...(10) QG2 VAL 48 + HA ARG 34 OK 58 65 100 89 3.2-4.9 2.1/4853=53, 161/996=19...(13) QD1 LEU 37 + HA ARG 34 OK 35 90 40 98 4.3-5.6 3.1/3743=51, 3.1/3741=51...(11) Violated in 0 structures by 0.00 A. 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 73 100 100 3.3-4.3 2.1/4326=100...(29) Violated in 0 structures by 0.00 A. Peak 4322 from cnoeabs.peaks (0.44, 1.93, 59.87 ppm; 6.00 A): 0 out of 0 assignments used, quality = 0.00: Peak 4323 from cnoeabs.peaks (1.46, 1.94, 29.95 ppm; 4.27 A): 2 out of 2 assignments used, quality = 1.00: HB3 LEU 29 + HB2 ARG 34 OK 100 100 100 100 3.8-4.8 1.8/4324=71, 4224/3.0=59...(23) QB ALA 35 + HB2 ARG 34 OK 77 78 100 99 3.7-4.1 2.9/141=78, ~142=47...(11) Violated in 0 structures by 0.00 A. Peak 4324 from cnoeabs.peaks (1.22, 1.94, 29.95 ppm; 4.51 A): 1 out of 3 assignments used, quality = 0.85: HB2 LEU 29 + HB2 ARG 34 OK 85 85 100 100 3.9-4.7 4314/624=68, 3.1/4325=58...(24) QG2 THR 46 - HB2 ARG 34 far 0 65 0 - 8.4-10.2 HB2 LEU 43 - HB2 ARG 34 far 0 100 0 - 8.8-10.0 Violated in 2 structures by 0.01 A. Peak 4325 from cnoeabs.peaks (0.15, 1.94, 29.95 ppm; 4.77 A): 1 out of 1 assignment used, quality = 1.00: QD1 LEU 29 + HB2 ARG 34 OK 100 100 100 100 3.4-4.8 4326/3.0=86, 4327/1.8=78...(21) Violated in 0 structures by 0.00 A. Peak 4326 from cnoeabs.peaks (0.15, 3.79, 59.87 ppm; 3.49 A): 1 out of 1 assignment used, quality = 1.00: QD1 LEU 29 + HA ARG 34 OK 100 100 100 100 1.9-2.4 4240=81, 4316/2.9=39...(29) Violated in 0 structures by 0.00 A. Peak 4327 from cnoeabs.peaks (0.15, 1.86, 29.95 ppm; 4.81 A): 1 out of 1 assignment used, quality = 1.00: QD1 LEU 29 + HB3 ARG 34 OK 100 100 100 100 2.0-4.0 4326/3.0=87, 4325/1.8=80...(21) Violated in 0 structures by 0.00 A. Peak 4328 from cnoeabs.peaks (2.06, 1.34, 28.15 ppm; 4.22 A): 3 out of 8 assignments used, quality = 1.00: HG3 GLU 45 + HG2 ARG 34 OK 99 99 100 100 2.1-3.8 4517=50, 4518/1.8=49...(17) HB3 GLU 45 + HG2 ARG 34 OK 86 87 100 99 3.2-5.1 3.0/4511=38, 3.0/4517=36...(20) HB2 GLU 45 + HG2 ARG 34 OK 74 83 90 99 2.0-6.3 3.0/4511=38, 3.0/4517=36...(19) HB3 ARG 56 - HD3 LYS 27 poor 11 28 40 - 3.2-9.0 HB2 LYS 22 - HG2 ARG 34 far 0 99 0 - 7.6-9.7 HB2 LYS 22 - HD3 LYS 27 far 0 53 0 - 8.1-12.0 HB2 GLN 63 - HD3 LYS 27 far 0 48 0 - 8.4-20.9 HB3 GLU 20 - HD3 LYS 27 far 0 34 0 - 8.9-11.6 Violated in 0 structures by 0.00 A. Peak 4329 from cnoeabs.peaks (0.99, 1.59, 28.15 ppm; 3.95 A): 1 out of 2 assignments used, quality = 0.97: QG1 VAL 48 + HG3 ARG 34 OK 97 97 100 100 1.9-3.0 4331/1.8=60, 4334/3.0=50...(22) QD1 LEU 37 - HG3 ARG 34 poor 14 71 20 - 4.2-6.6 Violated in 0 structures by 0.00 A. Peak 4330 from cnoeabs.peaks (0.14, 1.59, 28.15 ppm; 4.93 A): 1 out of 1 assignment used, quality = 1.00: QD1 LEU 29 + HG3 ARG 34 OK 100 100 100 100 2.0-3.2 4326/4.0=75, 4332/1.8=72...(19) Violated in 0 structures by 0.00 A. Peak 4331 from cnoeabs.peaks (0.98, 1.34, 28.15 ppm; 4.52 A): 1 out of 4 assignments used, quality = 0.93: QG1 VAL 48 + HG2 ARG 34 OK 93 93 100 100 2.1-3.9 4329/1.8=90, 2.1/4339=69...(20) QD1 LEU 37 - HG2 ARG 34 poor 16 81 20 - 4.7-7.5 QG1 VAL 48 - HD3 LYS 27 far 0 47 0 - 8.3-9.7 QD1 LEU 37 - HD3 LYS 27 far 0 38 0 - 9.9-12.8 Violated in 0 structures by 0.00 A. Peak 4332 from cnoeabs.peaks (0.13, 1.34, 28.15 ppm; 5.15 A): 1 out of 2 assignments used, quality = 0.93: QD1 LEU 29 + HG2 ARG 34 OK 93 93 100 100 3.4-4.7 4330/1.8=82, 4240/4.0=69...(15) QD1 LEU 29 - HD3 LYS 27 far 0 47 0 - 7.3-9.5 Violated in 0 structures by 0.00 A. Peak 4333 from cnoeabs.peaks (0.98, 3.54, 43.10 ppm; 4.65 A): 1 out of 2 assignments used, quality = 0.93: QG1 VAL 48 + HD2 ARG 34 OK 93 93 100 100 2.0-4.9 4334/1.8=83, 4329/3.0=76...(20) QD1 LEU 37 - HD2 ARG 34 far 8 81 10 - 5.7-8.7 Violated in 2 structures by 0.02 A. Peak 4334 from cnoeabs.peaks (0.98, 3.27, 43.10 ppm; 4.48 A): 1 out of 2 assignments used, quality = 0.93: QG1 VAL 48 + HD3 ARG 34 OK 93 93 100 100 2.2-4.2 2.1/4336=74, 4333/1.8=74...(20) QD1 LEU 37 - HD3 ARG 34 far 4 81 5 - 5.8-9.0 Violated in 0 structures by 0.00 A. Peak 4335 from cnoeabs.peaks (2.06, 3.27, 43.10 ppm; 4.12 A): 3 out of 4 assignments used, quality = 1.00: HG3 GLU 45 + HD3 ARG 34 OK 97 99 100 98 3.0-4.4 4528/1.8=50, 4529=49...(12) HB3 GLU 45 + HD3 ARG 34 OK 85 87 100 98 2.6-5.0 3.0/4529=41, ~4528=32...(18) HB2 GLU 45 + HD3 ARG 34 OK 65 83 80 98 3.2-6.1 3.0/4529=41, ~4528=32...(18) HB2 LYS 22 - HD3 ARG 34 far 0 99 0 - 8.4-10.8 Violated in 0 structures by 0.00 A. Peak 4336 from cnoeabs.peaks (2.17, 3.27, 43.10 ppm; 4.45 A): 1 out of 2 assignments used, quality = 0.99: HB VAL 48 + HD3 ARG 34 OK 99 99 100 100 2.0-4.8 2.1/4334=73, 229/4344=58...(17) HB2 GLN 53 - HD3 ARG 34 far 0 81 0 - 8.6-10.9 Violated in 2 structures by 0.02 A. Peak 4337 from cnoeabs.peaks (2.06, 3.54, 43.10 ppm; 4.43 A): 3 out of 4 assignments used, quality = 1.00: HG3 GLU 45 + HD2 ARG 34 OK 98 99 100 99 3.1-5.3 4528=63, 4529/1.8=60...(11) HB3 GLU 45 + HD2 ARG 34 OK 86 87 100 99 2.6-5.7 3.0/4528=50, ~4529=37...(18) HB2 GLU 45 + HD2 ARG 34 OK 41 83 50 99 3.9-7.3 3.0/4528=50, ~4529=37...(17) HB2 LYS 22 - HD2 ARG 34 far 0 99 0 - 7.9-10.9 Violated in 4 structures by 0.02 A. Peak 4338 from cnoeabs.peaks (2.14, 3.54, 43.10 ppm; 4.59 A): 2 out of 3 assignments used, quality = 0.90: HB VAL 48 + HD2 ARG 34 OK 73 73 100 100 2.5-5.2 2.1/4333=73, ~4334=56...(17) HB2 LYS 49 + HD2 ARG 34 OK 61 95 65 99 4.5-7.3 3.0/4340=63, 1.8/4592=61...(9) HB2 GLN 53 - HD2 ARG 34 far 0 97 0 - 8.5-11.5 Violated in 2 structures by 0.05 A. Peak 4339 from cnoeabs.peaks (2.15, 1.34, 28.15 ppm; 4.76 A): 1 out of 4 assignments used, quality = 0.97: HB VAL 48 + HG2 ARG 34 OK 97 97 100 100 2.7-3.7 2.1/4331=80, ~4329=67...(18) HB2 LYS 49 - HG2 ARG 34 far 0 68 0 - 6.4-7.8 HB2 GLN 53 - HD3 LYS 27 far 0 55 0 - 8.9-12.7 HB2 GLU 20 - HD3 LYS 27 far 0 50 0 - 9.4-12.6 Violated in 0 structures by 0.00 A. Peak 4340 from cnoeabs.peaks (4.32, 3.54, 43.10 ppm; 4.64 A): 1 out of 2 assignments used, quality = 0.97: HA LYS 49 + HD2 ARG 34 OK 97 97 100 100 3.8-6.0 4342/1.8=72, 3.0/4345=55...(13) HA HIS 36 - HD2 ARG 34 far 0 100 0 - 9.7-10.7 Violated in 8 structures by 0.32 A. Peak 4342 from cnoeabs.peaks (4.33, 3.27, 43.10 ppm; 4.52 A): 1 out of 2 assignments used, quality = 1.00: HA LYS 49 + HD3 ARG 34 OK 100 100 100 100 3.6-5.5 4340/1.8=66, 3.0/4344=63...(13) HA HIS 36 - HD3 ARG 34 far 0 93 0 - 9.6-10.8 Violated in 9 structures by 0.27 A. Peak 4344 from cnoeabs.peaks (8.54, 3.27, 43.10 ppm; 4.56 A): 1 out of 1 assignment used, quality = 1.00: H LYS 49 + HD3 ARG 34 OK 100 100 100 100 3.2-5.4 3.0/4342=65, 229/4336=63...(11) Violated in 8 structures by 0.21 A. Peak 4345 from cnoeabs.peaks (8.53, 3.54, 43.10 ppm; 5.18 A): 1 out of 2 assignments used, quality = 0.99: H LYS 49 + HD2 ARG 34 OK 99 99 100 100 3.2-6.5 4344/1.8=92, 3.0/4340=77...(10) H LEU 29 - HD2 ARG 34 lone 1 57 100 2 4.0-6.7 Violated in 6 structures by 0.17 A. Peak 4346 from cnoeabs.peaks (8.72, 1.49, 17.89 ppm; 4.79 A): 1 out of 1 assignment used, quality = 0.95: H ARG 34 + QB ALA 35 OK 95 96 100 99 4.1-4.5 139/632=91, 984/149=68...(7) Violated in 0 structures by 0.00 A. Peak 4350 from cnoeabs.peaks (3.63, 3.98, 55.19 ppm; 4.64 A): 2 out of 3 assignments used, quality = 0.99: HA ALA 38 + HA ALA 35 OK 92 92 100 100 5.4-5.6 2.1/3748=96, 2.9/995=76...(6) HA GLU 45 + HA ALA 35 OK 91 93 100 98 3.9-5.6 3.9/4355=73, 3.9/4356=65...(7) HA VAL 48 - HA ALA 35 far 0 100 0 - 8.7-9.6 Violated in 17 structures by 0.12 A. Peak 4354 from cnoeabs.peaks (1.92, 3.98, 55.19 ppm; 4.86 A): 3 out of 3 assignments used, quality = 0.98: HB2 ARG 34 + HA ALA 35 OK 80 81 100 100 3.9-4.1 141/3.0=73, ~142=60...(11) HB3 LYS 39 + HA ALA 35 OK 80 99 100 81 3.9-4.9 3.9/3749=56, 4415/995=55 HB2 LYS 39 + HA ALA 35 OK 57 100 100 57 5.5-6.0 3.9/3749=56 Violated in 0 structures by 0.00 A. Peak 4355 from cnoeabs.peaks (2.07, 3.98, 55.19 ppm; 3.31 A): 1 out of 5 assignments used, quality = 0.94: HG3 GLU 45 + HA ALA 35 OK 94 100 95 99 3.1-5.8 4527=69, 1.8/4356=54...(12) HB3 GLU 45 - HA ALA 35 far 4 78 5 - 3.4-6.5 HB2 GLU 45 - HA ALA 35 far 4 73 5 - 3.7-6.6 HG3 PRO 32 - HA ALA 35 far 0 57 0 - 8.2-9.4 HB2 LYS 22 - HA ALA 35 far 0 96 0 - 9.7-10.8 Violated in 14 structures by 0.39 A. Peak 4356 from cnoeabs.peaks (2.40, 3.98, 55.19 ppm; 3.89 A): 1 out of 2 assignments used, quality = 0.95: HG2 GLU 45 + HA ALA 35 OK 95 100 95 100 3.0-6.0 4525=93, 1.8/4355=89...(13) HB3 LYS 22 - HA ALA 35 far 0 78 0 - 9.8-11.0 Violated in 10 structures by 0.19 A. Peak 4359 from cnoeabs.peaks (3.17, 1.49, 17.89 ppm; 4.49 A): 2 out of 2 assignments used, quality = 0.97: HB2 HIS 36 + QB ALA 35 OK 84 89 100 95 3.8-4.3 4.0/149=72, 4353/632=48...(5) HB3 HIS 36 + QB ALA 35 OK 84 89 100 94 4.8-5.3 4.0/149=72, 4709=40...(5) Violated in 0 structures by 0.00 A. Peak 4360 from cnoeabs.peaks (2.39, 1.49, 17.89 ppm; 4.62 A): 1 out of 2 assignments used, quality = 0.97: HG2 GLU 45 + QB ALA 35 OK 97 97 100 100 4.0-5.9 1.8/4362=91, 4514=84...(11) HB3 LYS 22 - QB ALA 35 far 0 99 0 - 9.3-10.2 Violated in 5 structures by 0.08 A. Peak 4361 from cnoeabs.peaks (2.29, 1.49, 17.89 ppm; 6.00 A): 1 out of 1 assignment used, quality = 0.78: HB3 PRO 32 + QB ALA 35 OK 78 78 100 100 4.3-4.9 2.3/3729=100, ~980=75...(8) Violated in 0 structures by 0.00 A. Peak 4362 from cnoeabs.peaks (2.06, 1.49, 17.89 ppm; 4.05 A): 1 out of 4 assignments used, quality = 0.95: HG3 GLU 45 + QB ALA 35 OK 95 96 100 100 3.8-5.5 4355/2.1=83, 1.8/4360=61...(10) HB3 GLU 45 - QB ALA 35 far 5 95 5 - 3.7-6.6 HB2 GLU 45 - QB ALA 35 far 5 92 5 - 3.9-6.7 HB2 LYS 22 - QB ALA 35 far 0 100 0 - 9.2-10.1 Violated in 13 structures by 0.24 A. Peak 4363 from cnoeabs.peaks (1.89, 1.49, 17.89 ppm; 4.62 A): 0 out of 3 assignments used, quality = 0.00: HB2 GLU 33 - QB ALA 35 far 10 99 10 - 6.1-6.6 HG LEU 41 - QB ALA 35 far 0 76 0 - 8.0-9.7 HB3 LYS 49 - QB ALA 35 far 0 98 0 - 8.9-9.9 Violated in 20 structures by 1.52 A. Peak 4364 from cnoeabs.peaks (1.32, 1.49, 17.89 ppm; 3.80 A): 2 out of 2 assignments used, quality = 0.97: HG2 ARG 34 + QB ALA 35 OK 84 89 100 95 4.7-5.3 4.9/4346=28, ~141=26...(12) QB ALA 38 + QB ALA 35 OK 79 83 100 95 3.9-4.1 3748/2.1=59, ~995=31...(10) Violated in 18 structures by 0.05 A. Peak 4367 from cnoeabs.peaks (1.69, 4.32, 59.41 ppm; 4.12 A): 2 out of 6 assignments used, quality = 1.00: HD3 LYS 39 + HA HIS 36 OK 97 99 100 99 1.9-4.1 3.0/4368=64, 3.0/4788=52...(17) HD2 LYS 39 + HA HIS 36 OK 97 99 100 99 2.4-5.2 3.0/4368=64, 3.0/4788=52...(17) HB2 LEU 37 - HA HIS 36 far 4 78 5 - 5.6-6.5 HG2 LYS 22 - HA HIS 36 far 0 63 0 - 7.1-9.9 HG3 LYS 22 - HA HIS 36 far 0 99 0 - 7.2-9.7 HD3 LYS 42 - HA HIS 36 far 0 68 0 - 8.8-10.7 Violated in 0 structures by 0.00 A. Peak 4368 from cnoeabs.peaks (1.55, 4.32, 59.41 ppm; 3.95 A): 1 out of 3 assignments used, quality = 0.99: HG3 LYS 39 + HA HIS 36 OK 99 100 100 99 2.5-3.8 1.8/4788=58, 653/1000=48...(17) HG LEU 37 - HA HIS 36 far 0 95 0 - 7.1-7.8 QB ALA 31 - HA HIS 36 far 0 97 0 - 8.5-9.4 Violated in 0 structures by 0.00 A. Peak 4370 from cnoeabs.peaks (0.72, 4.06, 57.84 ppm; 4.58 A): 2 out of 4 assignments used, quality = 1.00: QD1 LEU 41 + HA LEU 37 OK 100 100 100 100 4.5-5.8 2.1/4390=67...(11) QD2 LEU 41 + HA LEU 37 OK 64 65 100 98 3.1-4.1 2.1/4390=67, 2.1/4453=51...(10) HG LEU 29 - HA LEU 37 far 0 85 0 - 7.3-8.8 HB2 LEU 19 - HA LEU 37 far 0 94 0 - 8.0-10.1 Violated in 0 structures by 0.00 A. Peak 4371 from cnoeabs.peaks (0.73, 1.73, 42.65 ppm; 4.97 A): 3 out of 4 assignments used, quality = 0.99: HG LEU 29 + HB3 LEU 37 OK 90 95 95 100 5.2-6.6 2.1/4372=75, ~4373=57...(13) QD2 LEU 41 + HB3 LEU 37 OK 81 81 100 100 3.8-5.8 ~4894=59, ~4790=57...(16) QD1 LEU 41 + HB3 LEU 37 OK 59 98 60 100 3.4-7.0 4894/3.0=86, ~4790=57...(14) HB2 LEU 19 - HB3 LEU 37 far 0 85 0 - 7.2-9.2 Violated in 0 structures by 0.00 A. Peak 4372 from cnoeabs.peaks (0.15, 1.73, 42.65 ppm; 5.00 A): 1 out of 1 assignment used, quality = 1.00: QD1 LEU 29 + HB3 LEU 37 OK 100 100 100 100 2.4-3.7 4231/3.1=82, 4373/1.8=81...(13) Violated in 0 structures by 0.00 A. Peak 4373 from cnoeabs.peaks (0.15, 1.66, 42.65 ppm; 4.99 A): 1 out of 1 assignment used, quality = 1.00: QD1 LEU 29 + HB2 LEU 37 OK 100 100 100 100 2.2-4.2 4231/3.1=82, 4372/1.8=80...(14) Violated in 0 structures by 0.00 A. Peak 4374 from cnoeabs.peaks (0.52, 0.92, 27.31 ppm; 3.41 A): 1 out of 1 assignment used, quality = 0.80: QD2 LEU 19 + QD2 LEU 37 OK 80 89 95 94 2.1-5.2 4378/2.1=48, 4381/2.1=36...(14) Violated in 3 structures by 0.18 A. Peak 4375 from cnoeabs.peaks (0.69, 0.92, 27.31 ppm; 4.03 A): 2 out of 3 assignments used, quality = 0.94: HB2 LEU 19 + QD2 LEU 37 OK 79 93 90 95 4.0-7.5 3.1/4374=68, ~4378=37...(9) QD1 LEU 41 + QD2 LEU 37 OK 73 73 100 99 2.8-5.3 4377/2.1=63, ~4790=50...(22) QD1 ILE 17 - QD2 LEU 37 far 0 100 0 - 8.3-10.3 Violated in 6 structures by 0.16 A. Peak 4376 from cnoeabs.peaks (0.14, 0.92, 27.31 ppm; 3.75 A): 1 out of 1 assignment used, quality = 0.98: QD1 LEU 29 + QD2 LEU 37 OK 98 98 100 100 1.8-3.9 4231=82, 2.1/4232=64...(17) Violated in 1 structures by 0.01 A. Peak 4377 from cnoeabs.peaks (0.71, 0.96, 24.23 ppm; 3.18 A): 2 out of 3 assignments used, quality = 0.96: QD1 LEU 41 + QD1 LEU 37 OK 95 97 100 98 2.2-3.5 2.1/4790=55, 4894/2.1=50...(22) HB2 LEU 19 + QD1 LEU 37 OK 20 100 25 80 4.2-6.2 3.1/4378=44, ~4374=21...(10) QD1 ILE 17 - QD1 LEU 37 far 0 98 0 - 7.4-9.6 Violated in 8 structures by 0.06 A. Peak 4378 from cnoeabs.peaks (0.54, 0.96, 24.23 ppm; 3.46 A): 1 out of 1 assignment used, quality = 0.94: QD2 LEU 19 + QD1 LEU 37 OK 94 100 100 94 1.8-4.3 4374/2.1=50, 4381/2.1=43...(14) Violated in 9 structures by 0.20 A. Peak 4379 from cnoeabs.peaks (0.15, 0.96, 24.23 ppm; 4.19 A): 1 out of 1 assignment used, quality = 0.99: QD1 LEU 29 + QD1 LEU 37 OK 99 100 100 100 3.0-4.4 4231/2.1=77...(14) Violated in 2 structures by 0.01 A. Peak 4380 from cnoeabs.peaks (0.72, 1.56, 26.77 ppm; 3.80 A): 2 out of 4 assignments used, quality = 0.92: QD1 LEU 41 + HG LEU 37 OK 80 100 80 100 2.6-5.6 4894=98, 4377/2.1=60...(15) QD2 LEU 41 + HG LEU 37 OK 61 65 95 98 3.2-5.3 2.1/4894=72, ~4790=44...(16) HG LEU 29 - HG LEU 37 far 13 85 15 - 4.5-7.5 HB2 LEU 19 - HG LEU 37 far 5 95 5 - 5.2-7.3 Violated in 9 structures by 0.16 A. Peak 4381 from cnoeabs.peaks (0.53, 1.56, 26.77 ppm; 4.46 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 19 + HG LEU 37 OK 100 100 100 100 3.0-4.1 4378/2.1=92, 4374/2.1=80...(12) Violated in 0 structures by 0.00 A. Peak 4382 from cnoeabs.peaks (2.75, 0.96, 24.23 ppm; 4.20 A): 1 out of 1 assignment used, quality = 0.98: HB2 ASN 40 + QD1 LEU 37 OK 98 98 100 100 3.1-4.4 1.8/4429=69...(12) Violated in 3 structures by 0.02 A. Peak 4383 from cnoeabs.peaks (2.97, 0.96, 24.23 ppm; 4.74 A): 1 out of 5 assignments used, quality = 0.84: HE3 LYS 22 + QD1 LEU 37 OK 84 89 95 100 3.6-6.3 3.0/4815=81, 4779/2.1=68...(20) HE2 LYS 39 - QD1 LEU 37 far 0 93 0 - 7.2-9.2 HE3 LYS 39 - QD1 LEU 37 far 0 93 0 - 7.3-8.9 HB2 TYR 28 - QD1 LEU 37 far 0 81 0 - 9.2-11.9 HE2 LYS 49 - QD1 LEU 37 far 0 96 0 - 9.7-14.2 Violated in 8 structures by 0.39 A. Peak 4384 from cnoeabs.peaks (3.78, 0.92, 27.31 ppm; 5.16 A): 2 out of 5 assignments used, quality = 0.96: HA ARG 34 + QD2 LEU 37 OK 95 95 100 100 3.2-5.5 4326/4231=74...(12) HA PHE 52 + QD2 LEU 37 OK 24 83 35 81 6.1-9.4 5.6/4391=52...(3) HA GLN 15 - QD2 LEU 37 poor 18 89 20 - 5.9-9.2 HD3 PRO 32 - QD2 LEU 37 far 0 76 0 - 8.9-11.7 HA ILE 50 - QD2 LEU 37 far 0 100 0 - 9.2-12.4 Violated in 4 structures by 0.04 A. Peak 4385 from cnoeabs.peaks (3.61, 0.92, 27.31 ppm; 4.78 A): 3 out of 4 assignments used, quality = 1.00: HA ALA 38 + QD2 LEU 37 OK 100 100 100 100 4.4-6.0 2.9/160=83, ~3475=44...(18) HA VAL 48 + QD2 LEU 37 OK 69 89 85 91 4.1-7.6 4579/4374=52...(12) HA LEU 19 + QD2 LEU 37 OK 61 63 100 98 2.1-5.2 4.0/4374=73, 3.0/4375=41...(16) HA GLU 45 - QD2 LEU 37 far 6 57 10 - 6.0-8.2 Violated in 1 structures by 0.00 A. Peak 4386 from cnoeabs.peaks (2.79, 0.92, 27.31 ppm; 4.91 A): 2 out of 3 assignments used, quality = 0.98: HE2 LYS 22 + QD2 LEU 37 OK 95 95 100 100 2.0-4.7 1.8/4779=81, 3.0/4156=68...(23) HB2 ASN 40 + QD2 LEU 37 OK 63 68 100 92 3.0-5.8 ~4429=65, 3760/1942=41...(7) HE3 LYS 27 - QD2 LEU 37 far 0 68 0 - 9.4-12.5 Violated in 0 structures by 0.00 A. Peak 4387 from cnoeabs.peaks (2.39, 0.92, 27.31 ppm; 4.83 A): 2 out of 7 assignments used, quality = 0.99: HB3 LYS 22 + QD2 LEU 37 OK 98 98 100 100 2.0-3.3 1.8/4388=86, 4151=75...(31) HG3 GLU 18 + QD2 LEU 37 OK 35 87 55 73 5.2-7.5 ~4805=53, ~4791=24...(5) HG2 GLU 45 - QD2 LEU 37 far 0 98 0 - 6.7-9.6 HG2 MET 11 - QD2 LEU 37 far 0 100 0 - 6.8-11.0 HD2 ARG 55 - QD2 LEU 37 far 0 87 0 - 8.6-12.9 HG3 GLN 47 - QD2 LEU 37 far 0 93 0 - 9.0-12.1 HG3 GLN 53 - QD2 LEU 37 far 0 81 0 - 9.5-14.6 Violated in 0 structures by 0.00 A. Peak 4388 from cnoeabs.peaks (2.04, 0.92, 27.31 ppm; 4.54 A): 1 out of 8 assignments used, quality = 0.93: HB2 LYS 22 + QD2 LEU 37 OK 93 93 100 100 1.9-2.7 4150=76, 2.9/4152=63...(30) HG3 GLU 45 - QD2 LEU 37 far 0 60 0 - 6.6-8.7 HB3 GLU 20 - QD2 LEU 37 far 0 100 0 - 6.9-9.5 HB2 GLN 26 - QD2 LEU 37 far 0 83 0 - 7.2-10.0 HB2 GLU 45 - QD2 LEU 37 far 0 100 0 - 7.2-10.6 HB3 GLN 26 - QD2 LEU 37 far 0 83 0 - 7.8-9.4 HB3 GLU 45 - QD2 LEU 37 far 0 100 0 - 7.8-10.1 HB3 ARG 56 - QD2 LEU 37 far 0 99 0 - 9.3-13.4 Violated in 0 structures by 0.00 A. Peak 4390 from cnoeabs.peaks (1.88, 4.06, 57.84 ppm; 4.92 A): 1 out of 4 assignments used, quality = 0.96: HG LEU 41 + HA LEU 37 OK 96 96 100 99 3.5-5.0 4790/1973=66...(8) HB2 GLU 33 - HA LEU 37 far 0 100 0 - 6.9-8.2 HB3 ARG 34 - HA LEU 37 far 0 85 0 - 7.9-8.4 HG2 ARG 21 - HA LEU 37 far 0 85 0 - 8.9-10.9 Violated in 3 structures by 0.01 A. Peak 4391 from cnoeabs.peaks (7.53, 0.92, 27.31 ppm; 4.02 A): 1 out of 3 assignments used, quality = 0.98: QE PHE 52 + QD2 LEU 37 OK 98 100 100 98 2.1-5.1 2.2/4392=55...(12) H GLU 18 - QD2 LEU 37 far 0 85 0 - 5.6-8.1 H GLN 15 - QD2 LEU 37 far 0 68 0 - 8.2-11.4 Violated in 4 structures by 0.10 A. Peak 4392 from cnoeabs.peaks (7.16, 0.92, 27.31 ppm; 4.66 A): 1 out of 4 assignments used, quality = 0.76: HZ PHE 52 + QD2 LEU 37 OK 76 76 100 100 2.1-4.5 2.2/4391=86...(12) QE PHE 23 - QD2 LEU 37 far 0 85 0 - 6.8-9.5 HD1 TRP 51 - QD2 LEU 37 far 0 93 0 - 7.0-11.2 QD TYR 28 - QD2 LEU 37 far 0 63 0 - 8.0-10.8 Violated in 0 structures by 0.00 A. Peak 4393 from cnoeabs.peaks (8.33, 3.61, 55.88 ppm; 3.99 A): 1 out of 1 assignment used, quality = 1.00: H LEU 43 + HA ALA 38 OK 100 100 100 100 2.9-3.6 4485=97, 683/4402=60...(11) Violated in 0 structures by 0.00 A. Peak 4394 from cnoeabs.peaks (8.34, 1.34, 17.52 ppm; 4.41 A): 1 out of 1 assignment used, quality = 0.97: H LEU 43 + QB ALA 38 OK 97 97 100 100 3.4-3.8 4485/2.1=83, 193=50...(11) Violated in 0 structures by 0.00 A. Peak 4395 from cnoeabs.peaks (8.04, 1.34, 17.52 ppm; 4.24 A): 4 out of 6 assignments used, quality = 1.00: H LEU 41 + QB ALA 38 OK 94 95 100 99 4.4-4.6 1009/2.1=57, 890/4419=50...(12) H GLN 47 + QB ALA 38 OK 93 99 100 94 4.4-5.5 4539/4405=60...(6) H LEU 37 + QB ALA 38 OK 74 76 100 98 4.2-4.3 4.6/1982=55, 4.0/4406=40...(11) H ASN 40 + QB ALA 38 OK 65 68 100 95 4.2-4.5 889/164=55, 3.6/4418=53...(7) H LYS 22 - QB ALA 38 far 0 93 0 - 9.2-10.0 H GLN 53 - QB ALA 38 far 0 97 0 - 9.7-10.6 Violated in 0 structures by 0.00 A. Peak 4396 from cnoeabs.peaks (8.82, 1.34, 17.52 ppm; 5.04 A): 1 out of 1 assignment used, quality = 0.92: H THR 44 + QB ALA 38 OK 92 92 100 100 3.3-4.8 2.9/4413=81...(8) Violated in 0 structures by 0.00 A. Peak 4397 from cnoeabs.peaks (9.24, 1.34, 17.52 ppm; 4.54 A): 1 out of 1 assignment used, quality = 0.99: H GLU 45 + QB ALA 38 OK 99 100 100 99 3.1-3.9 696/4410=69, 206/4413=64...(9) Violated in 0 structures by 0.00 A. Peak 4401 from cnoeabs.peaks (1.48, 3.61, 55.88 ppm; 4.42 A): 1 out of 3 assignments used, quality = 0.99: HG LEU 43 + HA ALA 38 OK 99 99 100 100 3.8-5.4 2.1/4404=78, 3.0/4402=77...(9) QB ALA 35 - HA ALA 38 far 0 98 0 - 6.5-6.6 HB3 LEU 29 - HA ALA 38 far 0 90 0 - 8.1-10.1 Violated in 18 structures by 0.47 A. Peak 4402 from cnoeabs.peaks (1.23, 3.61, 55.88 ppm; 3.61 A): 1 out of 5 assignments used, quality = 0.98: HB2 LEU 43 + HA ALA 38 OK 98 99 100 99 2.2-3.5 4488=60, 4473/2.1=53...(12) HG LEU 19 - HA ALA 38 far 0 99 0 - 6.0-7.2 HB2 LEU 29 - HA ALA 38 far 0 97 0 - 8.3-10.3 QG2 THR 46 - HA ALA 38 far 0 87 0 - 8.9-9.7 QG2 THR 14 - HA ALA 38 far 0 71 0 - 9.7-12.3 Violated in 0 structures by 0.00 A. Peak 4403 from cnoeabs.peaks (0.94, 3.61, 55.88 ppm; 3.31 A): 3 out of 3 assignments used, quality = 1.00: QG2 VAL 48 + HA ALA 38 OK 97 99 100 99 2.1-3.2 4405/2.1=73, 2377=27...(21) QD1 LEU 37 + HA ALA 38 OK 72 85 90 94 2.5-5.0 ~160=24, 3477/2.9=23...(20) QD2 LEU 37 + HA ALA 38 OK 43 68 70 90 4.4-6.0 160/2.9=30, ~3475=19...(16) Violated in 0 structures by 0.00 A. Peak 4404 from cnoeabs.peaks (0.67, 3.61, 55.88 ppm; 4.22 A): 1 out of 1 assignment used, quality = 0.88: QD1 LEU 43 + HA ALA 38 OK 88 89 100 100 3.0-4.5 3.1/4402=70, 2.1/4401=67...(12) Violated in 3 structures by 0.03 A. Peak 4405 from cnoeabs.peaks (0.95, 1.34, 17.52 ppm; 2.95 A): 1 out of 3 assignments used, quality = 0.94: QG2 VAL 48 + QB ALA 38 OK 94 100 100 95 1.9-2.8 4576=37, 2.1/4409=31...(23) QD1 LEU 37 - QB ALA 38 poor 18 92 20 - 3.1-5.4 QD2 LEU 37 - QB ALA 38 far 0 57 0 - 4.5-5.3 Violated in 0 structures by 0.00 A. Peak 4406 from cnoeabs.peaks (1.73, 1.34, 17.52 ppm; 4.99 A): 1 out of 5 assignments used, quality = 1.00: HB3 LEU 37 + QB ALA 38 OK 100 100 100 100 3.7-4.2 158/1982=94, ~157=64...(16) HD2 LYS 42 - QB ALA 38 far 0 97 0 - 6.5-8.2 HG2 LYS 22 - QB ALA 38 far 0 89 0 - 6.7-9.1 HD3 LYS 49 - QB ALA 38 far 0 60 0 - 7.5-10.7 HD2 LYS 49 - QB ALA 38 far 0 63 0 - 8.5-9.7 Violated in 0 structures by 0.00 A. Peak 4407 from cnoeabs.peaks (1.89, 1.34, 17.52 ppm; 4.10 A): 1 out of 4 assignments used, quality = 0.37: HG LEU 41 + QB ALA 38 OK 37 73 55 92 4.3-6.0 3.0/4461=40, ~3768=31...(12) HB3 LYS 49 - QB ALA 38 far 0 97 0 - 6.5-7.4 HB2 LYS 42 - QB ALA 38 far 0 100 0 - 6.8-7.4 HB2 GLU 33 - QB ALA 38 far 0 99 0 - 7.3-8.4 Violated in 20 structures by 1.04 A. Peak 4408 from cnoeabs.peaks (2.06, 1.34, 17.52 ppm; 3.45 A): 3 out of 4 assignments used, quality = 0.97: HG3 GLU 45 + QB ALA 38 OK 83 90 95 96 2.9-5.6 1.8/4410=65...(12) HB2 GLU 45 + QB ALA 38 OK 63 97 75 87 4.1-5.1 3.0/4410=49, 4.0/4397=29...(9) HB3 GLU 45 + QB ALA 38 OK 56 98 65 88 3.7-5.1 3.0/4410=49, 4.0/4397=29...(10) HB2 LYS 22 - QB ALA 38 far 0 100 0 - 7.6-8.6 Violated in 3 structures by 0.00 A. Peak 4409 from cnoeabs.peaks (2.16, 1.34, 17.52 ppm; 4.29 A): 1 out of 2 assignments used, quality = 0.99: HB VAL 48 + QB ALA 38 OK 99 99 100 100 3.1-4.2 2.1/4405=96, 4570=46...(15) HB3 LYS 42 - QB ALA 38 far 0 100 0 - 6.8-7.2 Violated in 0 structures by 0.00 A. Peak 4410 from cnoeabs.peaks (2.39, 1.34, 17.52 ppm; 3.72 A): 1 out of 5 assignments used, quality = 0.96: HG2 GLU 45 + QB ALA 38 OK 96 100 100 97 2.2-5.2 4525/3748=48, 4515=46...(12) HG3 GLN 47 - QB ALA 38 far 0 97 0 - 5.7-7.6 HG2 MET 11 - QB ALA 38 far 0 99 0 - 6.9-10.0 HB3 LYS 22 - QB ALA 38 far 0 95 0 - 7.5-8.5 HG3 GLU 18 - QB ALA 38 far 0 93 0 - 8.3-10.7 Violated in 4 structures by 0.09 A. Peak 4411 from cnoeabs.peaks (4.09, 1.34, 17.52 ppm; 4.19 A): 2 out of 4 assignments used, quality = 1.00: HA LYS 39 + QB ALA 38 OK 99 99 100 100 3.6-3.8 4418=95, 3.0/164=82...(10) HA LEU 37 + QB ALA 38 OK 62 63 100 99 5.0-5.0 3.6/1982=73, 3.0/4406=47...(14) HB THR 46 - QB ALA 38 far 0 63 0 - 6.2-7.2 HA GLU 33 - QB ALA 38 far 0 90 0 - 7.1-7.8 Violated in 0 structures by 0.00 A. Peak 4412 from cnoeabs.peaks (3.77, 1.34, 17.52 ppm; 4.87 A): 1 out of 4 assignments used, quality = 0.80: HA ARG 34 + QB ALA 38 OK 80 81 100 99 4.1-5.0 996/1982=61, 3.0/1867=37...(15) HA GLN 15 - QB ALA 38 far 0 71 0 - 8.5-10.3 HA PHE 52 - QB ALA 38 far 0 96 0 - 9.6-10.4 HA ILE 50 - QB ALA 38 far 0 100 0 - 9.7-10.4 Violated in 1 structures by 0.01 A. Peak 4413 from cnoeabs.peaks (4.64, 1.34, 17.52 ppm; 4.23 A): 1 out of 2 assignments used, quality = 0.79: HA THR 44 + QB ALA 38 OK 79 98 100 81 2.7-4.1 206/4397=52, 2.9/4396=48 HA MET 11 - QB ALA 38 far 0 92 0 - 9.2-11.0 Violated in 0 structures by 0.00 A. Peak 4414 from cnoeabs.peaks (1.59, 1.34, 17.52 ppm; 4.14 A): 3 out of 4 assignments used, quality = 1.00: HG3 ARG 34 + QB ALA 38 OK 98 99 100 99 3.6-5.1 4519/4410=41, 1891=41...(18) HB3 LEU 43 + QB ALA 38 OK 97 97 100 100 3.4-4.8 4476/4405=61, ~4402=57...(13) HB2 LEU 41 + QB ALA 38 OK 61 73 85 97 4.1-5.9 3.0/4407=62, 1.8/4461=51...(10) HG2 LYS 49 - QB ALA 38 far 0 78 0 - 7.8-9.5 Violated in 0 structures by 0.00 A. Peak 4415 from cnoeabs.peaks (8.43, 1.92, 32.12 ppm; 4.80 A): 1 out of 2 assignments used, quality = 0.99: H ALA 38 + HB3 LYS 39 OK 99 100 100 99 4.8-5.0 162/3.9=77, 1004/4.1=56...(8) H ALA 38 - HB2 LYS 39 far 10 99 10 - 6.1-6.5 Violated in 20 structures by 0.12 A. Peak 4418 from cnoeabs.peaks (1.33, 4.08, 59.02 ppm; 4.18 A): 1 out of 6 assignments used, quality = 0.97: QB ALA 38 + HA LYS 39 OK 97 97 100 99 3.6-3.8 164/3.0=80, 5.0=59...(10) HG3 LYS 42 - HA LYS 39 far 12 83 15 - 5.1-7.2 HG2 LYS 42 - HA LYS 39 far 4 83 5 - 5.7-6.7 QB ALA 38 - HA GLU 33 far 0 82 0 - 7.1-7.8 HG2 ARG 34 - HA GLU 33 far 0 85 0 - 7.3-7.5 HG2 ARG 34 - HA LYS 39 far 0 99 0 - 8.2-9.2 Violated in 0 structures by 0.00 A. Peak 4422 from cnoeabs.peaks (1.91, 4.37, 55.84 ppm; 4.62 A): 2 out of 3 assignments used, quality = 0.99: HB2 LYS 39 + HA ASN 40 OK 94 95 100 99 5.0-5.5 2.9/4423=71, 167/3.0=43...(12) HB3 LYS 39 + HA ASN 40 OK 91 92 100 99 5.0-5.5 2.9/4423=71, 167/3.0=43...(12) HB2 LYS 42 - HA ASN 40 far 0 85 0 - 6.7-7.4 Violated in 20 structures by 0.04 A. Peak 4423 from cnoeabs.peaks (1.43, 4.37, 55.84 ppm; 4.26 A): 1 out of 2 assignments used, quality = 0.97: HG2 LYS 39 + HA ASN 40 OK 97 100 100 97 3.0-3.7 169/3.0=60, 2.9/4422=28...(13) HB3 LEU 41 - HA ASN 40 far 0 100 0 - 5.8-6.6 Violated in 0 structures by 0.00 A. Peak 4424 from cnoeabs.peaks (0.73, 4.37, 55.84 ppm; 4.52 A): 2 out of 2 assignments used, quality = 0.95: QD2 LEU 41 + HA ASN 40 OK 93 93 100 99 3.7-4.2 669/3489=63, 4447/2.9=57...(10) QD1 LEU 41 + HA ASN 40 OK 31 90 35 99 5.9-6.6 670/3489=62, ~4428=42...(11) Violated in 0 structures by 0.00 A. Peak 4425 from cnoeabs.peaks (1.87, 2.76, 38.33 ppm; 4.53 A): 1 out of 4 assignments used, quality = 1.00: HG LEU 41 + HB2 ASN 40 OK 100 100 100 100 4.1-5.0 4428/1.8=81, 668/177=69...(9) HB2 LYS 42 - HB2 ASN 40 far 0 81 0 - 8.7-9.0 HG2 ARG 21 - HB2 ASN 40 far 0 97 0 - 9.2-12.0 HB2 GLU 33 - HB2 ASN 40 far 0 93 0 - 9.2-10.4 Violated in 9 structures by 0.20 A. Peak 4426 from cnoeabs.peaks (0.95, 2.76, 38.33 ppm; 4.48 A): 2 out of 3 assignments used, quality = 0.96: QD1 LEU 37 + HB2 ASN 40 OK 92 92 100 100 3.1-4.4 4382=85, 4429/1.8=80...(12) QD2 LEU 37 + HB2 ASN 40 OK 56 57 100 98 3.0-5.8 2.1/4382=78, 3.8/3759=66...(7) QG2 VAL 48 - HB2 ASN 40 far 10 100 10 - 5.9-7.0 Violated in 0 structures by 0.00 A. Peak 4427 from cnoeabs.peaks (0.73, 2.76, 38.33 ppm; 4.64 A): 2 out of 4 assignments used, quality = 0.99: QD2 LEU 41 + HB2 ASN 40 OK 93 93 100 100 2.5-3.3 2.1/4425=77, 4447/1.8=72...(11) QD1 LEU 41 + HB2 ASN 40 OK 90 90 100 100 5.2-5.5 2.1/4425=77, 670/177=61...(13) HB2 LEU 19 - HB2 ASN 40 far 0 68 0 - 8.9-11.3 HG LEU 29 - HB2 ASN 40 far 0 99 0 - 9.9-11.4 Violated in 0 structures by 0.00 A. Peak 4428 from cnoeabs.peaks (1.87, 2.70, 38.33 ppm; 4.42 A): 1 out of 3 assignments used, quality = 0.99: HG LEU 41 + HB3 ASN 40 OK 99 99 100 100 4.0-4.8 4425/1.8=75, 668/3491=72...(9) HG2 ARG 21 - HB3 ASN 40 far 0 93 0 - 8.2-11.3 HB2 LYS 42 - HB3 ASN 40 far 0 89 0 - 8.3-8.8 Violated in 11 structures by 0.15 A. Peak 4429 from cnoeabs.peaks (0.95, 2.70, 38.33 ppm; 4.38 A): 1 out of 2 assignments used, quality = 0.97: QD1 LEU 37 + HB3 ASN 40 OK 97 97 100 100 3.6-4.8 4382/1.8=78...(10) QG2 VAL 48 - HB3 ASN 40 far 0 100 0 - 6.6-7.5 Violated in 4 structures by 0.07 A. Peak 4430 from cnoeabs.peaks (0.73, 2.70, 38.33 ppm; 4.66 A): 2 out of 3 assignments used, quality = 0.99: QD1 LEU 41 + HB3 ASN 40 OK 97 97 100 100 4.4-5.2 2.1/4428=80, 2.1/4447=77...(11) QD2 LEU 41 + HB3 ASN 40 OK 85 85 100 100 2.1-2.4 2.1/4428=80, 4447=77...(11) HB2 LEU 19 - HB3 ASN 40 far 0 81 0 - 8.3-10.9 Violated in 0 structures by 0.00 A. Peak 4435 from cnoeabs.peaks (7.78, 1.43, 42.54 ppm; 4.68 A): 1 out of 1 assignment used, quality = 0.89: HE21 GLN 15 + HB3 LEU 41 OK 89 89 100 100 1.9-5.5 3.5/4024=64, 3.5/4028=61...(20) Violated in 1 structures by 0.04 A. Peak 4436 from cnoeabs.peaks (7.79, 0.75, 22.71 ppm; 5.08 A): 1 out of 1 assignment used, quality = 0.99: HE21 GLN 15 + QD2 LEU 41 OK 99 99 100 100 2.9-6.3 4035=98, 4031/2.1=83...(23) Violated in 4 structures by 0.11 A. Peak 4437 from cnoeabs.peaks (7.54, 0.75, 22.71 ppm; 4.71 A): 2 out of 2 assignments used, quality = 0.93: H GLU 18 + QD2 LEU 41 OK 91 93 100 98 4.0-5.2 3671/4446=53...(9) QE PHE 52 + QD2 LEU 41 OK 21 98 30 71 5.7-7.7 4099/4818=52...(4) Violated in 2 structures by 0.03 A. Peak 4438 from cnoeabs.peaks (7.97, 0.72, 26.10 ppm; 4.60 A): 1 out of 2 assignments used, quality = 0.97: H LEU 19 + QD1 LEU 41 OK 97 97 100 100 2.0-3.7 537/4816=62, 538/4817=48...(17) H HIS 36 - QD1 LEU 41 far 0 90 0 - 8.4-10.1 Violated in 0 structures by 0.00 A. Peak 4439 from cnoeabs.peaks (7.77, 0.72, 26.10 ppm; 5.59 A): 2 out of 2 assignments used, quality = 0.78: HE21 GLN 15 + QD1 LEU 41 OK 68 68 100 100 1.9-4.8 4435/3.1=79, 4436/2.1=65...(23) QD PHE 52 + QD1 LEU 41 OK 31 76 70 59 5.3-8.6 2.2/4440=29...(5) Violated in 0 structures by 0.00 A. Peak 4440 from cnoeabs.peaks (7.53, 0.72, 26.10 ppm; 5.02 A): 3 out of 3 assignments used, quality = 0.99: H GLN 15 + QD1 LEU 41 OK 86 87 100 99 4.0-6.3 3.0/4454=66, ~4446=59...(15) QE PHE 52 + QD1 LEU 41 OK 74 100 80 93 3.8-7.4 4099/4816=81...(8) H GLU 18 + QD1 LEU 41 OK 65 65 100 99 3.2-4.7 4437/2.1=59, 4.7/4438=55...(15) Violated in 0 structures by 0.00 A. Peak 4442 from cnoeabs.peaks (2.31, 1.62, 42.54 ppm; 4.55 A): 1 out of 9 assignments used, quality = 0.69: HG2 GLN 15 + HB2 LEU 41 OK 69 99 70 100 2.8-6.6 4024/1.8=86, ~4028=61...(24) HG2 GLU 18 - HB2 LEU 41 poor 18 60 30 - 5.1-7.8 HG2 GLU 67 - HB2 LEU 68 poor 17 34 50 - 4.6-7.3 HG2 GLU 67 - HB3 LEU 68 poor 14 47 30 - 5.1-8.1 HG2 GLN 26 - HB3 LEU 68 far 0 61 0 - 7.2-31.9 HG3 GLN 26 - HB3 LEU 68 far 0 63 0 - 8.0-32.1 HG2 GLU 67 - HB3 LEU 64 far 0 64 0 - 8.1-14.3 HG2 GLN 26 - HB2 LEU 68 far 0 45 0 - 8.2-32.1 HG3 GLN 26 - HB2 LEU 68 far 0 46 0 - 9.2-32.3 Violated in 14 structures by 0.71 A. Peak 4443 from cnoeabs.peaks (2.47, 1.43, 42.54 ppm; 4.57 A): 2 out of 3 assignments used, quality = 0.96: HG3 GLN 15 + HB3 LEU 41 OK 92 92 100 100 2.8-6.0 4028=84, 1.8/4024=84...(27) HG3 MET 11 + HB3 LEU 41 OK 49 93 70 76 4.3-8.9 4724/4464=45...(6) HG2 GLU 20 - HB3 LEU 41 far 0 99 0 - 9.4-11.4 Violated in 7 structures by 0.17 A. Peak 4444 from cnoeabs.peaks (2.30, 1.43, 42.54 ppm; 4.32 A): 2 out of 2 assignments used, quality = 1.00: HG2 GLN 15 + HB3 LEU 41 OK 100 100 100 100 2.6-5.8 4024=96, 1.8/4028=73...(23) HG2 GLU 18 + HB3 LEU 41 OK 34 83 45 91 5.0-7.1 ~4093=45, ~4449=44...(9) Violated in 7 structures by 0.11 A. Peak 4445 from cnoeabs.peaks (2.72, 1.87, 26.77 ppm; 4.89 A): 1 out of 1 assignment used, quality = 0.85: HB3 ASN 40 + HG LEU 41 OK 85 85 100 100 4.0-4.8 1.8/4425=87, 4428=77...(9) Violated in 0 structures by 0.00 A. Peak 4446 from cnoeabs.peaks (3.79, 0.75, 22.71 ppm; 3.73 A): 1 out of 3 assignments used, quality = 0.98: HA GLN 15 + QD2 LEU 41 OK 98 100 100 98 3.1-4.6 4019=54, 4454/2.1=44...(18) HA THR 14 - QD2 LEU 41 far 0 89 0 - 6.4-8.2 HA ARG 34 - QD2 LEU 41 far 0 99 0 - 7.2-8.2 Violated in 9 structures by 0.21 A. Peak 4447 from cnoeabs.peaks (2.70, 0.75, 22.71 ppm; 4.56 A): 1 out of 1 assignment used, quality = 1.00: HB3 ASN 40 + QD2 LEU 41 OK 100 100 100 100 2.1-2.4 4428/2.1=77, 3491/669=70...(12) Violated in 0 structures by 0.00 A. Peak 4448 from cnoeabs.peaks (2.47, 0.75, 22.71 ppm; 4.74 A): 2 out of 4 assignments used, quality = 0.90: HG3 GLN 15 + QD2 LEU 41 OK 77 97 80 100 3.5-6.5 3.8/4446=71, 4028/3.1=66...(24) HB2 GLN 15 + QD2 LEU 41 OK 57 57 100 100 3.9-6.2 2.9/4446=83, 4.6/4035=48...(22) HG3 MET 11 - QD2 LEU 41 far 10 97 10 - 6.1-9.3 HG2 GLU 20 - QD2 LEU 41 far 0 97 0 - 7.4-9.2 Violated in 0 structures by 0.00 A. Peak 4449 from cnoeabs.peaks (2.39, 0.75, 22.71 ppm; 3.97 A): 1 out of 6 assignments used, quality = 0.94: HG3 GLU 18 + QD2 LEU 41 OK 94 95 100 100 2.0-4.4 4093=91, 1.8/4450=57...(13) HB3 LYS 22 - QD2 LEU 41 far 5 93 5 - 5.0-7.6 HG2 MET 11 - QD2 LEU 41 far 0 99 0 - 5.8-8.8 HG3 GLU 20 - QD2 LEU 41 far 0 60 0 - 7.1-8.6 HG2 GLU 45 - QD2 LEU 41 far 0 100 0 - 8.6-11.1 HG3 GLN 47 - QD2 LEU 41 far 0 98 0 - 8.9-10.5 Violated in 3 structures by 0.04 A. Peak 4450 from cnoeabs.peaks (2.27, 0.75, 22.71 ppm; 3.46 A): 2 out of 2 assignments used, quality = 0.99: HG2 GLU 18 + QD2 LEU 41 OK 97 100 100 97 2.0-3.7 1.8/4093=60, 4091/2.1=32...(13) HG2 GLN 15 + QD2 LEU 41 OK 50 73 70 98 2.7-5.9 3.8/4446=39, 3.5/4035=30...(23) Violated in 0 structures by 0.00 A. Peak 4451 from cnoeabs.peaks (1.98, 0.75, 22.71 ppm; 3.19 A): 2 out of 7 assignments used, quality = 0.96: HB2 GLU 18 + QD2 LEU 41 OK 79 85 100 93 2.0-3.2 3.0/4093=39, 3.0/4450=30...(18) HB3 GLU 18 + QD2 LEU 41 OK 79 85 100 93 1.9-2.6 3.0/4093=39, 3.0/4450=30...(15) HD3 LYS 22 - QD2 LEU 41 far 5 90 5 - 4.6-8.5 HB2 ARG 21 - QD2 LEU 41 far 0 97 0 - 5.5-6.8 HB2 MET 11 - QD2 LEU 41 far 0 83 0 - 5.9-8.2 HB3 ARG 21 - QD2 LEU 41 far 0 99 0 - 6.4-8.2 HD3 ARG 55 - QD2 LEU 41 far 0 100 0 - 9.8-11.4 Violated in 0 structures by 0.00 A. Peak 4452 from cnoeabs.peaks (1.20, 0.75, 22.71 ppm; 4.06 A): 2 out of 2 assignments used, quality = 0.76: HB2 LEU 43 + QD2 LEU 41 OK 57 73 85 91 5.0-5.6 ~4819=26, ~4820=26...(17) QG2 THR 14 + QD2 LEU 41 OK 45 99 55 82 4.5-6.6 4010/4449=46...(9) Violated in 20 structures by 0.73 A. Peak 4453 from cnoeabs.peaks (4.06, 0.72, 26.10 ppm; 4.96 A): 2 out of 6 assignments used, quality = 1.00: HA LEU 37 + QD1 LEU 41 OK 100 100 100 100 4.5-5.8 4390/2.1=77...(12) HB THR 14 + QD1 LEU 41 OK 31 96 50 64 4.3-8.0 ~4452=29, 4.2/4440=21...(5) HA LYS 39 - QD1 LEU 41 far 0 71 0 - 7.0-7.7 HA ARG 21 - QD1 LEU 41 far 0 93 0 - 7.6-8.8 HA GLU 33 - QD1 LEU 41 far 0 92 0 - 9.1-11.2 HB THR 46 - QD1 LEU 41 far 0 100 0 - 9.7-12.0 Violated in 4 structures by 0.05 A. Peak 4454 from cnoeabs.peaks (3.79, 0.72, 26.10 ppm; 4.52 A): 1 out of 4 assignments used, quality = 1.00: HA GLN 15 + QD1 LEU 41 OK 100 100 100 100 1.9-4.5 4446/2.1=89, 946/4438=39...(21) HA THR 14 - QD1 LEU 41 poor 14 78 30 61 5.5-8.0 3.6/4440=19, ~4452=19...(7) HA ARG 34 - QD1 LEU 41 far 0 100 0 - 6.5-9.4 HA ILE 50 - QD1 LEU 41 far 0 89 0 - 9.5-12.5 Violated in 0 structures by 0.00 A. Peak 4455 from cnoeabs.peaks (3.61, 0.72, 26.10 ppm; 4.61 A): 3 out of 4 assignments used, quality = 1.00: HA ALA 38 + QD1 LEU 41 OK 99 100 100 99 3.5-5.7 3768/3.1=58, ~4407=56...(11) HA LEU 19 + QD1 LEU 41 OK 65 65 100 99 2.8-5.0 4.0/4816=66, 2.9/4438=65...(13) HA VAL 48 + QD1 LEU 41 OK 44 90 55 89 4.0-7.4 4579/4816=47...(12) HA GLU 45 - QD1 LEU 41 far 0 60 0 - 7.0-9.9 Violated in 0 structures by 0.00 A. Peak 4456 from cnoeabs.peaks (2.27, 0.72, 26.10 ppm; 4.77 A): 2 out of 2 assignments used, quality = 1.00: HG2 GLU 18 + QD1 LEU 41 OK 100 100 100 100 1.9-4.7 ~4093=68, ~4449=67...(18) HG2 GLN 15 + QD1 LEU 41 OK 73 73 100 100 1.9-4.6 3.8/4454=53, ~4028=50...(27) Violated in 0 structures by 0.00 A. Peak 4457 from cnoeabs.peaks (1.98, 0.72, 26.10 ppm; 3.73 A): 2 out of 7 assignments used, quality = 0.99: HB2 GLU 18 + QD1 LEU 41 OK 92 93 100 98 1.9-2.8 4451/2.1=41, 4.3/4438=32...(23) HB3 GLU 18 + QD1 LEU 41 OK 91 93 100 98 2.4-3.5 4451/2.1=40, 4.3/4438=32...(19) HB2 MET 11 - QD1 LEU 41 poor 20 92 60 36 3.8-6.1 4711/2130=17, ~4443=7...(7) HD3 LYS 22 - QD1 LEU 41 far 8 81 10 - 5.0-8.8 HB2 ARG 21 - QD1 LEU 41 far 0 92 0 - 5.5-7.0 HB3 ARG 21 - QD1 LEU 41 far 0 96 0 - 6.5-8.5 HD3 ARG 55 - QD1 LEU 41 far 0 97 0 - 7.8-9.8 Violated in 0 structures by 0.00 A. Peak 4458 from cnoeabs.peaks (0.94, 0.72, 26.10 ppm; 3.42 A): 3 out of 4 assignments used, quality = 0.94: QD1 LEU 37 + QD1 LEU 41 OK 75 76 100 99 2.2-3.5 2.1/4894=60, 4377=52...(23) QD2 LEU 37 + QD1 LEU 41 OK 58 78 75 98 2.8-5.3 2.1/4894=60, 2.1/4377=57...(21) QG2 VAL 48 + QD1 LEU 41 OK 45 96 60 79 2.4-5.5 4459/2.1=23, 4460/2.1=20...(16) QG2 ILE 50 - QD1 LEU 41 far 0 68 0 - 7.9-10.3 Violated in 0 structures by 0.00 A. Peak 4459 from cnoeabs.peaks (0.95, 0.75, 22.71 ppm; 3.82 A): 2 out of 2 assignments used, quality = 0.99: QD1 LEU 37 + QD2 LEU 41 OK 96 97 100 100 1.9-3.4 4790/2.1=72, 4377/2.1=66...(24) QG2 VAL 48 + QD2 LEU 41 OK 80 100 100 80 4.4-5.2 4460/2.1=29, 4465/669=18...(14) Violated in 0 structures by 0.00 A. Peak 4460 from cnoeabs.peaks (0.95, 1.87, 26.77 ppm; 4.07 A): 2 out of 2 assignments used, quality = 1.00: QD1 LEU 37 + HG LEU 41 OK 98 98 100 100 1.9-2.9 4790=95, 4377/2.1=72...(17) QG2 VAL 48 + HG LEU 41 OK 83 100 100 83 3.3-4.7 4405/4407=37...(9) Violated in 0 structures by 0.00 A. Peak 4461 from cnoeabs.peaks (1.33, 1.43, 42.54 ppm; 4.50 A): 1 out of 4 assignments used, quality = 0.92: QB ALA 38 + HB3 LEU 41 OK 92 93 100 98 4.4-6.0 2.1/3768=65, 4407/3.0=63...(10) HG2 LYS 42 - HB3 LEU 41 poor 17 73 85 28 4.8-7.5 4.9/184=25, ~2432=2, ~2442=2 HG3 LYS 42 - HB3 LEU 41 far 0 73 0 - 6.3-6.7 HG2 ARG 34 - HB3 LEU 41 far 0 97 0 - 8.4-10.7 Violated in 19 structures by 1.05 A. Peak 4462 from cnoeabs.peaks (1.22, 1.43, 42.54 ppm; 4.71 A): 2 out of 3 assignments used, quality = 1.00: HB2 LEU 43 + HB3 LEU 41 OK 99 99 100 100 2.9-4.2 3.1/4819=82, 3.1/4464=63...(18) HG LEU 19 + HB3 LEU 41 OK 78 81 100 97 3.5-5.4 ~4816=51, ~4818=41...(10) QG2 THR 14 - HB3 LEU 41 far 0 96 0 - 6.4-9.8 Violated in 0 structures by 0.00 A. Peak 4463 from cnoeabs.peaks (0.94, 1.43, 42.54 ppm; 4.72 A): 3 out of 4 assignments used, quality = 0.99: QG2 VAL 48 + HB3 LEU 41 OK 93 96 100 97 3.7-5.8 4405/4461=51...(14) QD1 LEU 37 + HB3 LEU 41 OK 75 76 100 99 2.7-5.4 4790/3.0=56, ~4894=51...(14) QD2 LEU 37 + HB3 LEU 41 OK 66 78 85 98 3.9-7.7 ~4790=54, ~4894=51...(13) QG2 ILE 50 - HB3 LEU 41 far 0 68 0 - 9.9-11.9 Violated in 0 structures by 0.00 A. Peak 4464 from cnoeabs.peaks (0.84, 1.43, 42.54 ppm; 4.72 A): 1 out of 2 assignments used, quality = 0.96: QD2 LEU 43 + HB3 LEU 41 OK 96 96 100 100 3.2-4.8 2.1/4819=95, ~4820=71...(11) QD1 LEU 68 - HB3 LEU 41 far 0 85 0 - 7.8-30.5 Violated in 1 structures by 0.00 A. Peak 4467 from cnoeabs.peaks (8.04, 3.98, 57.60 ppm; 4.63 A): 2 out of 4 assignments used, quality = 0.94: H LEU 41 + HA LYS 42 OK 89 90 100 99 4.6-4.7 4441=84, 181/672=83...(4) H ASN 40 + HA LYS 42 OK 48 76 100 63 5.4-5.6 175/4441=54, 889/1001=19 H LEU 37 - HA LYS 42 far 0 68 0 - 9.2-9.8 H GLN 47 - HA LYS 42 far 0 97 0 - 9.7-10.0 Violated in 0 structures by 0.00 A. Peak 4468 from cnoeabs.peaks (7.79, 1.89, 28.29 ppm; 4.82 A): 1 out of 1 assignment used, quality = 0.35: HE21 GLN 15 + HB2 LYS 42 OK 35 100 35 100 5.4-7.9 4032/1.8=93, ~4039=69...(4) Violated in 20 structures by 1.87 A. Peak 4469 from cnoeabs.peaks (7.78, 2.15, 28.29 ppm; 4.41 A): 1 out of 1 assignment used, quality = 0.90: HE21 GLN 15 + HB3 LYS 42 OK 90 96 95 100 4.1-6.5 4032=90, 1.7/4039=82...(4) Violated in 18 structures by 0.66 A. Peak 4472 from cnoeabs.peaks (0.96, 1.23, 47.68 ppm; 3.83 A): 2 out of 2 assignments used, quality = 0.99: QG2 VAL 48 + HB2 LEU 43 OK 99 99 100 100 2.5-3.7 4476/1.8=71, 4577=57...(17) QD1 LEU 37 + HB2 LEU 43 OK 22 100 40 54 3.6-7.0 4378/1308=18...(6) Violated in 0 structures by 0.00 A. Peak 4473 from cnoeabs.peaks (1.32, 1.23, 47.68 ppm; 4.18 A): 1 out of 2 assignments used, quality = 0.68: QB ALA 38 + HB2 LEU 43 OK 68 68 100 100 2.8-3.8 2.1/4402=83, 4475/1.8=70...(12) HG2 ARG 34 - HB2 LEU 43 far 0 76 0 - 6.8-7.7 Violated in 0 structures by 0.00 A. Peak 4474 from cnoeabs.peaks (1.83, 1.23, 47.68 ppm; 5.01 A): 1 out of 2 assignments used, quality = 1.00: HB3 GLN 47 + HB2 LEU 43 OK 100 100 100 100 4.4-5.1 1.8/4487=89, 4477/1.8=86...(15) HB3 MET 11 - HB2 LEU 43 far 0 98 0 - 6.5-9.3 Violated in 2 structures by 0.01 A. Peak 4475 from cnoeabs.peaks (1.32, 1.60, 47.68 ppm; 4.46 A): 1 out of 2 assignments used, quality = 0.68: QB ALA 38 + HB3 LEU 43 OK 68 68 100 100 3.4-4.8 4473/1.8=84, ~4402=64...(13) HG2 ARG 34 - HB3 LEU 43 far 0 76 0 - 7.1-8.7 Violated in 9 structures by 0.09 A. Peak 4476 from cnoeabs.peaks (0.95, 1.60, 47.68 ppm; 3.94 A): 1 out of 2 assignments used, quality = 0.99: QG2 VAL 48 + HB3 LEU 43 OK 99 100 100 99 2.9-4.0 4472/1.8=63, 4480/3.1=49...(16) QD1 LEU 37 - HB3 LEU 43 poor 20 98 20 - 4.8-8.4 Violated in 6 structures by 0.02 A. Peak 4477 from cnoeabs.peaks (1.83, 1.60, 47.68 ppm; 4.77 A): 1 out of 2 assignments used, quality = 1.00: HB3 GLN 47 + HB3 LEU 43 OK 100 100 100 100 3.0-4.0 1.8/4546=85, 4550/3.1=74...(17) HB3 MET 11 - HB3 LEU 43 far 0 98 0 - 6.6-8.7 Violated in 0 structures by 0.00 A. Peak 4478 from cnoeabs.peaks (0.53, 0.66, 27.60 ppm; 3.68 A): 1 out of 1 assignment used, quality = 0.94: QD2 LEU 19 + QD1 LEU 43 OK 94 100 100 94 2.2-3.7 2.1/4703=66, 2.1/4109=50...(9) Violated in 1 structures by 0.00 A. Peak 4479 from cnoeabs.peaks (-0.29, 0.66, 27.60 ppm; 3.78 A): 1 out of 3 assignments used, quality = 0.96: QD1 LEU 19 + QD1 LEU 43 OK 96 97 100 100 2.3-3.5 4703=95, 2.1/4478=72...(8) HG2 ARG 55 - QD1 LEU 43 far 0 99 0 - 7.7-10.0 HB3 ARG 55 - QD1 LEU 43 far 0 95 0 - 8.8-11.6 Violated in 0 structures by 0.00 A. Peak 4480 from cnoeabs.peaks (0.95, 0.66, 27.60 ppm; 3.47 A): 2 out of 2 assignments used, quality = 0.97: QG2 VAL 48 + QD1 LEU 43 OK 96 100 100 96 2.6-3.6 4476/3.1=44, 4472/3.1=37...(14) QD1 LEU 37 + QD1 LEU 43 OK 29 98 50 60 3.1-6.1 4378/4478=43...(5) Violated in 1 structures by 0.00 A. Peak 4481 from cnoeabs.peaks (1.96, 0.66, 27.60 ppm; 3.97 A): 0 out of 6 assignments used, quality = 0.00: HB ILE 50 - QD1 LEU 43 far 0 78 0 - 5.5-7.7 HD3 LYS 22 - QD1 LEU 43 far 0 100 0 - 7.0-11.3 HD3 ARG 55 - QD1 LEU 43 far 0 95 0 - 7.4-9.4 HB2 ARG 21 - QD1 LEU 43 far 0 99 0 - 8.4-10.5 HB2 ARG 34 - QD1 LEU 43 far 0 83 0 - 8.7-9.7 HB3 ARG 21 - QD1 LEU 43 far 0 97 0 - 9.8-12.0 Violated in 20 structures by 2.13 A. Peak 4482 from cnoeabs.peaks (1.82, 0.66, 27.60 ppm; 5.01 A): 2 out of 4 assignments used, quality = 1.00: HB3 GLN 47 + QD1 LEU 43 OK 100 100 100 100 2.8-4.0 4551=100, 4550/2.1=92...(18) HB3 MET 11 + QD1 LEU 43 OK 95 95 100 100 3.1-5.5 3.0/4720=69, 3.0/4725=68...(14) HB ILE 17 - QD1 LEU 43 far 0 90 0 - 8.1-9.2 HD2 LYS 22 - QD1 LEU 43 far 0 100 0 - 8.4-11.2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.6-5.7 4030=82, 1.8/4026=79...(20) HG3 MET 11 + QD1 LEU 43 OK 100 100 100 100 1.9-5.2 4725=97, 4724/2.1=93...(17) HB2 GLN 15 + QD1 LEU 43 OK 92 92 100 100 2.4-6.0 1.8/4023=81, 4021=79...(10) HG2 GLU 20 - QD1 LEU 43 far 0 68 0 - 8.1-9.3 HB2 ASN 54 - QD1 LEU 43 far 0 93 0 - 9.6-12.1 Violated in 0 structures by 0.00 A. Peak 4484 from cnoeabs.peaks (1.96, 0.85, 24.31 ppm; 3.41 A): 0 out of 4 assignments used, quality = 0.00: HB ILE 50 - QD2 LEU 43 far 0 85 0 - 5.9-8.0 HD3 ARG 55 - QD2 LEU 43 far 0 90 0 - 8.5-11.0 HD3 LYS 22 - QD2 LEU 43 far 0 100 0 - 9.5-13.8 HB2 ARG 34 - QD2 LEU 43 far 0 89 0 - 9.9-11.2 Violated in 20 structures by 3.43 A. Peak 4487 from cnoeabs.peaks (2.59, 1.23, 47.68 ppm; 4.61 A): 1 out of 1 assignment used, quality = 1.00: HB2 GLN 47 + HB2 LEU 43 OK 100 100 100 100 3.3-3.9 4546/1.8=83, 1.8/4474=69...(16) Violated in 0 structures by 0.00 A. Peak 4488 from cnoeabs.peaks (3.61, 1.23, 47.68 ppm; 3.88 A): 2 out of 4 assignments used, quality = 1.00: HA ALA 38 + HB2 LEU 43 OK 100 100 100 100 2.2-3.5 4402=99, 2.1/4473=63...(12) HA VAL 48 + HB2 LEU 43 OK 33 90 40 92 4.6-5.9 3.2/4472=46, 4578/3.1=35...(13) HA GLU 45 - HB2 LEU 43 far 0 60 0 - 5.6-6.3 HA LEU 19 - HB2 LEU 43 far 0 65 0 - 7.4-8.9 Violated in 0 structures by 0.00 A. Peak 4489 from cnoeabs.peaks (3.60, 1.60, 47.68 ppm; 4.26 A): 2 out of 2 assignments used, quality = 0.99: HA ALA 38 + HB3 LEU 43 OK 98 98 100 100 3.7-5.3 4402/1.8=88, 2.1/4475=68...(8) HA VAL 48 + HB3 LEU 43 OK 34 71 50 95 4.5-6.3 3.2/4476=64, ~4472=35...(10) Violated in 11 structures by 0.22 A. Peak 4490 from cnoeabs.peaks (2.57, 1.60, 47.68 ppm; 4.53 A): 2 out of 2 assignments used, quality = 0.99: HB2 GLN 47 + HB3 LEU 43 OK 95 95 100 100 2.0-2.9 4546=89, 1.8/4477=73...(16) HG2 GLN 47 + HB3 LEU 43 OK 83 83 100 100 3.1-4.4 1.8/4555=78, 3.0/4546=65...(21) Violated in 0 structures by 0.00 A. Peak 4491 from cnoeabs.peaks (3.61, 0.66, 27.60 ppm; 4.31 A): 3 out of 4 assignments used, quality = 1.00: HA ALA 38 + QD1 LEU 43 OK 100 100 100 100 3.0-4.5 4404=83, 4402/3.1=72...(12) HA VAL 48 + QD1 LEU 43 OK 89 90 100 99 3.4-4.7 4578=59, 3.2/4480=56...(15) HA LEU 19 + QD1 LEU 43 OK 33 65 55 93 5.0-6.6 4.0/4478=58, 4.0/4479=57...(6) HA GLU 45 - QD1 LEU 43 far 0 60 0 - 6.3-6.7 Violated in 0 structures by 0.00 A. Peak 4492 from cnoeabs.peaks (2.39, 0.85, 24.31 ppm; 3.52 A): 2 out of 6 assignments used, quality = 1.00: HG2 MET 11 + QD2 LEU 43 OK 100 100 100 100 2.2-3.9 4719=91, 1.8/4724=61...(16) HG3 GLN 47 + QD2 LEU 43 OK 94 95 100 99 3.2-4.7 3.4/4558=45, 3.0/4550=43...(19) HG2 GLU 45 - QD2 LEU 43 far 0 99 0 - 8.3-8.8 HG3 GLU 18 - QD2 LEU 43 far 0 89 0 - 8.3-10.4 HD2 ARG 55 - QD2 LEU 43 far 0 89 0 - 9.6-12.1 HB3 LYS 22 - QD2 LEU 43 far 0 97 0 - 9.8-12.0 Violated in 1 structures by 0.00 A. Peak 4493 from cnoeabs.peaks (7.78, 1.47, 26.44 ppm; 4.49 A): 1 out of 1 assignment used, quality = 0.96: HE21 GLN 15 + HG LEU 43 OK 96 96 100 100 2.1-4.3 1.7/4037=92, 4033=91...(12) Violated in 0 structures by 0.00 A. Peak 4494 from cnoeabs.peaks (7.80, 0.85, 24.31 ppm; 3.93 A): 1 out of 2 assignments used, quality = 1.00: HE21 GLN 15 + QD2 LEU 43 OK 100 100 100 100 2.2-4.6 4034=97, 1.7/4041=87...(15) H VAL 16 - QD2 LEU 43 far 0 63 0 - 6.6-7.8 Violated in 8 structures by 0.11 A. Peak 4496 from cnoeabs.peaks (6.89, 0.85, 24.31 ppm; 4.37 A): 1 out of 2 assignments used, quality = 0.94: HE21 GLN 47 + QD2 LEU 43 OK 94 95 100 100 2.1-3.4 4558=91, 1.7/4559=84...(10) HD22 ASN 54 - QD2 LEU 43 far 0 96 0 - 8.9-11.9 Violated in 0 structures by 0.00 A. Peak 4497 from cnoeabs.peaks (6.69, 0.85, 24.31 ppm; 3.53 A): 1 out of 1 assignment used, quality = 1.00: HE22 GLN 15 + QD2 LEU 43 OK 100 100 100 100 2.0-3.5 4041=100, 1.7/4034=67...(14) Violated in 0 structures by 0.00 A. Peak 4498 from cnoeabs.peaks (6.70, 1.47, 26.44 ppm; 4.59 A): 1 out of 1 assignment used, quality = 1.00: HE22 GLN 15 + HG LEU 43 OK 100 100 100 100 2.0-3.5 4037=99, 4041/2.1=94...(12) Violated in 0 structures by 0.00 A. Peak 4502 from cnoeabs.peaks (8.34, 1.28, 21.70 ppm; 4.52 A): 1 out of 3 assignments used, quality = 0.60: H LEU 43 + QG2 THR 44 OK 60 97 100 62 4.9-5.8 4.5/2275=62 H SER 65 - QG2 THR 59 far 0 77 0 - 6.9-13.8 H ARG 21 - QG2 THR 59 far 0 50 0 - 9.5-14.6 Violated in 20 structures by 0.66 A. Peak 4503 from cnoeabs.peaks (7.18, 1.28, 21.70 ppm; 4.45 A): 1 out of 2 assignments used, quality = 0.55: QE PHE 23 + QG2 THR 59 OK 55 88 70 89 2.8-7.9 2.2/4504=71...(6) HZ PHE 52 - QG2 THR 59 far 0 89 0 - 9.1-14.6 Violated in 10 structures by 0.90 A. Peak 4504 from cnoeabs.peaks (6.94, 1.28, 21.70 ppm; 4.54 A): 1 out of 1 assignment used, quality = 0.60: HZ PHE 23 + QG2 THR 59 OK 60 87 75 92 2.7-8.3 2.2/4503=75...(3) Violated in 10 structures by 0.84 A. Peak 4509 from cnoeabs.peaks (2.56, 1.28, 21.70 ppm; 4.67 A): 2 out of 2 assignments used, quality = 0.87: HG2 GLN 47 + QG2 THR 44 OK 66 90 100 73 2.1-4.4 4565/691=50, 4554=46 HB2 GLN 47 + QG2 THR 44 OK 63 89 100 71 3.6-5.5 4563/691=54, 3.0/4554=36 Violated in 0 structures by 0.00 A. Peak 4511 from cnoeabs.peaks (1.34, 3.64, 61.08 ppm; 3.26 A): 2 out of 2 assignments used, quality = 0.99: QB ALA 38 + HA GLU 45 OK 93 99 100 94 2.4-3.3 4405/4512=35...(15) HG2 ARG 34 + HA GLU 45 OK 89 100 100 89 2.1-4.2 4339/3773=23...(17) Violated in 0 structures by 0.00 A. Peak 4512 from cnoeabs.peaks (0.96, 3.64, 61.08 ppm; 3.99 A): 1 out of 2 assignments used, quality = 0.97: QG2 VAL 48 + HA GLU 45 OK 97 99 100 99 3.0-3.9 2.1/3773=77, 714/3772=53...(11) QD1 LEU 37 - HA GLU 45 far 5 100 5 - 5.4-8.5 Violated in 0 structures by 0.00 A. Peak 4513 from cnoeabs.peaks (1.34, 2.05, 29.23 ppm; 4.24 A): 4 out of 5 assignments used, quality = 1.00: HG2 ARG 34 + HB3 GLU 45 OK 99 100 100 99 3.2-5.1 4511/3.0=38, 4517/3.0=36...(20) QB ALA 38 + HB3 GLU 45 OK 98 100 100 98 3.7-5.1 4410/3.0=70, 4397/4.0=46...(10) QB ALA 38 + HB2 GLU 45 OK 97 100 100 98 4.1-5.1 4410/3.0=70, 4397/4.0=46...(9) HG2 ARG 34 + HB2 GLU 45 OK 89 100 90 99 2.0-6.3 4511/3.0=38, 4517/3.0=36...(19) HD3 LYS 27 - HB3 GLU 20 far 0 62 0 - 8.9-11.6 Violated in 0 structures by 0.00 A. Peak 4514 from cnoeabs.peaks (1.47, 2.40, 37.98 ppm; 4.58 A): 1 out of 3 assignments used, quality = 0.92: QB ALA 35 + HG2 GLU 45 OK 92 92 100 100 4.0-5.9 2.1/4356=87, 4360=81...(11) HB3 LEU 29 - HG2 GLU 45 far 0 97 0 - 7.7-9.4 HG LEU 43 - HG2 GLU 45 far 0 100 0 - 9.2-10.8 Violated in 5 structures by 0.09 A. Peak 4515 from cnoeabs.peaks (1.33, 2.40, 37.98 ppm; 3.68 A): 2 out of 2 assignments used, quality = 1.00: HG2 ARG 34 + HG2 GLU 45 OK 95 98 100 97 2.6-4.9 1.8/4519=41, 4517/1.8=39...(17) QB ALA 38 + HG2 GLU 45 OK 95 96 100 99 2.2-5.2 4410=90, 3748/4356=45...(12) Violated in 1 structures by 0.03 A. Peak 4516 from cnoeabs.peaks (1.47, 2.07, 37.98 ppm; 4.60 A): 1 out of 3 assignments used, quality = 0.92: QB ALA 35 + HG3 GLU 45 OK 92 92 100 100 3.8-5.5 2.1/4355=96, 4362=81...(10) HB3 LEU 29 - HG3 GLU 45 far 0 97 0 - 6.5-8.0 HG LEU 43 - HG3 GLU 45 far 0 100 0 - 9.6-11.8 Violated in 3 structures by 0.05 A. Peak 4517 from cnoeabs.peaks (1.33, 2.07, 37.98 ppm; 3.64 A): 2 out of 2 assignments used, quality = 1.00: HG2 ARG 34 + HG3 GLU 45 OK 96 98 100 98 2.1-3.8 4515/1.8=36, 1.8/4518=33...(17) QB ALA 38 + HG3 GLU 45 OK 89 96 95 98 2.9-5.6 4410/1.8=66...(12) Violated in 0 structures by 0.00 A. Peak 4518 from cnoeabs.peaks (1.58, 2.07, 37.98 ppm; 5.00 A): 1 out of 5 assignments used, quality = 0.98: HG3 ARG 34 + HG3 GLU 45 OK 98 99 100 100 3.9-5.3 4519/1.8=72, 3.0/4529=65...(13) QB ALA 31 - HG3 GLU 45 poor 14 83 65 27 6.0-7.1 4284/4351=25 HG2 LYS 49 - HG3 GLU 45 far 0 99 0 - 6.6-9.9 HG LEU 37 - HG3 GLU 45 far 0 87 0 - 7.0-10.2 HB3 LEU 43 - HG3 GLU 45 far 0 71 0 - 7.7-9.2 Violated in 4 structures by 0.03 A. Peak 4519 from cnoeabs.peaks (1.59, 2.40, 37.98 ppm; 4.93 A): 1 out of 4 assignments used, quality = 0.79: HG3 ARG 34 + HG2 GLU 45 OK 79 100 80 100 4.3-6.7 4518/1.8=60, 1.8/4515=50...(13) HB3 LEU 43 - HG2 GLU 45 far 0 96 0 - 7.3-8.1 HG2 LYS 49 - HG2 GLU 45 far 0 83 0 - 7.4-10.6 HB2 LEU 41 - HG2 GLU 45 far 0 68 0 - 7.8-11.4 Violated in 19 structures by 1.05 A. Peak 4520 from cnoeabs.peaks (1.58, 3.64, 61.08 ppm; 4.95 A): 2 out of 5 assignments used, quality = 1.00: HG3 ARG 34 + HA GLU 45 OK 99 100 100 100 3.2-5.7 4519/2298=56...(16) HB3 LEU 43 + HA GLU 45 OK 51 81 100 63 5.9-6.2 4476/4512=49...(3) HG2 LYS 49 - HA GLU 45 far 5 97 5 - 5.7-8.3 HG LEU 37 - HA GLU 45 far 4 78 5 - 6.2-8.9 QB ALA 31 - HA GLU 45 far 0 73 0 - 7.5-9.1 Violated in 2 structures by 0.01 A. Peak 4521 from cnoeabs.peaks (1.02, 2.05, 29.23 ppm; 4.93 A): 3 out of 5 assignments used, quality = 0.93: QG1 VAL 48 + HB3 GLU 45 OK 76 85 95 95 5.1-6.4 ~3773=56, ~4512=54...(10) QG1 VAL 16 + HB3 GLU 20 OK 50 51 100 98 3.8-5.8 4058/3.0=69...(8) QG2 VAL 16 + HB3 GLU 20 OK 41 64 65 97 4.7-7.4 ~4058=55, 4124/3.0=43...(9) QG1 VAL 48 - HB2 GLU 45 far 13 84 15 - 5.3-7.0 QG1 VAL 48 - HB3 GLU 20 far 0 48 0 - 8.2-9.9 Violated in 2 structures by 0.01 A. Peak 4522 from cnoeabs.peaks (3.27, 2.04, 29.23 ppm; 4.86 A): 2 out of 5 assignments used, quality = 1.00: HD3 ARG 34 + HB2 GLU 45 OK 100 100 100 100 3.2-6.1 4529/3.0=54, ~4528=45...(18) HD3 ARG 34 + HB3 GLU 45 OK 99 100 100 100 2.6-5.0 4529/3.0=54, ~4528=45...(19) HB3 TRP 51 - HB3 GLU 20 far 0 49 0 - 8.6-10.9 HB2 PHE 52 - HB3 GLU 45 far 0 100 0 - 8.9-11.2 HB2 PHE 52 - HB2 GLU 45 far 0 100 0 - 9.6-12.6 Violated in 0 structures by 0.00 A. Peak 4523 from cnoeabs.peaks (3.98, 2.04, 29.23 ppm; 4.80 A): 2 out of 7 assignments used, quality = 0.95: HA ALA 35 + HB3 GLU 45 OK 85 100 85 100 3.4-6.5 4355/3.0=89, 4356/3.0=81...(13) HA ALA 35 + HB2 GLU 45 OK 70 100 70 100 3.7-6.6 4355/3.0=89, 4356/3.0=81...(13) HB2 SER 24 - HB3 GLU 20 poor 12 58 95 22 4.4-6.6 3716/2740=13, 4.0/3517=9 HB3 SER 24 - HB3 GLU 20 poor 5 60 40 22 4.7-7.2 3716/2740=13, 4.0/3517=9 HA GLN 47 - HB3 GLU 45 far 0 70 0 - 7.6-8.4 HA GLN 47 - HB2 GLU 45 far 0 71 0 - 7.8-8.2 HB2 SER 30 - HB2 GLU 45 far 0 65 0 - 9.7-13.8 Violated in 18 structures by 0.54 A. Peak 4524 from cnoeabs.peaks (4.79, 2.04, 29.23 ppm; 5.05 A): 2 out of 2 assignments used, quality = 1.00: HB THR 44 + HB2 GLU 45 OK 96 100 100 96 4.3-6.1 207/4.0=79, 4799/4.6=72 HB THR 44 + HB3 GLU 45 OK 96 100 100 96 4.8-6.0 207/4.0=79, 4799/4.6=72 Violated in 0 structures by 0.00 A. Peak 4525 from cnoeabs.peaks (3.98, 2.40, 37.98 ppm; 3.98 A): 1 out of 3 assignments used, quality = 0.95: HA ALA 35 + HG2 GLU 45 OK 95 100 95 100 3.0-6.0 4356=100, 4355/1.8=91...(13) HA GLN 47 - HG2 GLU 45 far 0 81 0 - 7.2-9.2 HA LYS 42 - HG2 GLU 45 far 0 100 0 - 8.5-11.5 Violated in 7 structures by 0.16 A. Peak 4526 from cnoeabs.peaks (4.67, 2.40, 37.98 ppm; 5.20 A): 1 out of 1 assignment used, quality = 0.88: HA THR 44 + HG2 GLU 45 OK 88 92 100 95 3.9-5.1 3.6/696=86, 4413/4410=38...(4) Violated in 0 structures by 0.00 A. Peak 4527 from cnoeabs.peaks (3.98, 2.07, 37.98 ppm; 3.74 A): 1 out of 3 assignments used, quality = 0.95: HA ALA 35 + HG3 GLU 45 OK 95 100 95 100 3.1-5.8 4355=100, 4356/1.8=70...(12) HA GLN 47 - HG3 GLU 45 far 0 81 0 - 7.9-9.6 HA LYS 42 - HG3 GLU 45 far 0 100 0 - 9.5-12.6 Violated in 6 structures by 0.16 A. Peak 4528 from cnoeabs.peaks (3.54, 2.07, 37.98 ppm; 5.13 A): 1 out of 2 assignments used, quality = 0.99: HD2 ARG 34 + HG3 GLU 45 OK 99 99 100 100 3.1-5.3 1.8/4529=81, 3.0/4518=61...(13) HB3 PHE 52 - HG3 GLU 45 far 0 99 0 - 9.8-11.7 Violated in 2 structures by 0.01 A. Peak 4529 from cnoeabs.peaks (3.26, 2.07, 37.98 ppm; 5.12 A): 1 out of 2 assignments used, quality = 0.96: HD3 ARG 34 + HG3 GLU 45 OK 96 97 100 100 3.0-4.4 1.8/4528=81, 3.0/4518=61...(12) HB2 PHE 52 - HG3 GLU 45 far 0 90 0 - 9.5-11.8 Violated in 0 structures by 0.00 A. Peak 4532 from cnoeabs.peaks (1.68, 3.90, 66.50 ppm; 4.24 A): 3 out of 4 assignments used, quality = 0.90: HD3 LYS 49 + HA THR 46 OK 55 87 65 98 3.2-6.7 3.7/3778=65, 3.7/3780=58...(10) HD2 LYS 49 + HA THR 46 OK 54 85 65 98 4.0-6.9 3.7/3778=65, 3.7/3780=58...(10) HG13 ILE 50 + HA THR 46 OK 52 99 60 87 4.1-6.7 4537/2312=46, ~4538=42...(9) HB2 LEU 37 - HA THR 46 far 0 83 0 - 10.0-13.0 Violated in 6 structures by 0.14 A. Peak 4533 from cnoeabs.peaks (2.97, 3.90, 66.50 ppm; 4.90 A): 2 out of 2 assignments used, quality = 0.94: HE2 LYS 49 + HA THR 46 OK 77 97 80 99 3.2-6.9 4.8/3778=63, 3.6/4534=60...(9) HE3 LYS 49 + HA THR 46 OK 72 97 75 99 3.7-8.1 4.8/3778=63, 3.6/4534=60...(9) Violated in 5 structures by 0.29 A. Peak 4534 from cnoeabs.peaks (1.58, 3.90, 66.50 ppm; 4.92 A): 1 out of 5 assignments used, quality = 0.99: HG2 LYS 49 + HA THR 46 OK 99 99 100 100 4.9-5.5 3.0/3778=90, 3.0/3780=84...(12) HG3 ARG 34 - HA THR 46 far 5 98 5 - 6.2-8.6 HB3 LEU 43 - HA THR 46 far 0 68 0 - 7.5-8.2 QB ALA 31 - HA THR 46 far 0 85 0 - 9.2-11.3 HG LEU 37 - HA THR 46 far 0 89 0 - 9.8-12.3 Violated in 15 structures by 0.15 A. Peak 4535 from cnoeabs.peaks (1.36, 3.90, 66.50 ppm; 4.88 A): 0 out of 2 assignments used, quality = 0.00: HG2 ARG 34 - HA THR 46 far 12 78 15 - 5.3-7.8 QB ALA 38 - HA THR 46 far 8 85 10 - 6.3-6.9 Violated in 20 structures by 1.10 A. Peak 4536 from cnoeabs.peaks (2.96, 1.25, 21.98 ppm; 4.45 A): 2 out of 2 assignments used, quality = 0.87: HE2 LYS 49 + QG2 THR 46 OK 66 93 80 89 3.6-6.9 4.8/4584=40, 4.8/4585=36...(8) HE3 LYS 49 + QG2 THR 46 OK 62 93 75 88 3.1-8.1 4.8/4584=40, 4.8/4585=36...(8) Violated in 6 structures by 0.32 A. Peak 4537 from cnoeabs.peaks (1.68, 1.25, 21.98 ppm; 3.58 A): 2 out of 3 assignments used, quality = 0.85: HG13 ILE 50 + QG2 THR 46 OK 81 99 100 82 3.0-4.6 2.1/4538=75...(5) HD3 LYS 49 + QG2 THR 46 OK 25 87 35 82 4.0-7.1 3.7/4584=32, 3.7/4585=28...(8) HD2 LYS 49 - QG2 THR 46 poor 18 85 25 83 3.7-7.0 3.7/4584=32, 3.7/4585=28...(9) Violated in 6 structures by 0.08 A. Peak 4538 from cnoeabs.peaks (0.79, 1.25, 21.98 ppm; 3.27 A): 1 out of 1 assignment used, quality = 0.68: QD1 ILE 50 + QG2 THR 46 OK 68 97 100 71 2.4-3.8 2.1/4537=37...(8) Violated in 8 structures by 0.12 A. Peak 4542 from cnoeabs.peaks (1.25, 3.96, 59.66 ppm; 4.22 A): 1 out of 3 assignments used, quality = 0.99: QG2 THR 46 + HA GLN 47 OK 99 100 100 99 3.3-3.7 218/3.0=71, 4538/4603=55...(8) HB2 LEU 43 - HA GLN 47 far 0 65 0 - 6.3-6.9 HG LEU 19 - HA GLN 47 far 0 96 0 - 9.0-10.1 Violated in 0 structures by 0.00 A. Peak 4543 from cnoeabs.peaks (0.91, 3.96, 59.66 ppm; 4.28 A): 1 out of 2 assignments used, quality = 0.98: QG2 ILE 50 + HA GLN 47 OK 98 99 100 100 4.2-4.9 2.1/3785=86...(7) QD2 LEU 37 - HA GLN 47 far 0 96 0 - 8.1-11.3 Violated in 18 structures by 0.29 A. Peak 4544 from cnoeabs.peaks (0.80, 3.96, 59.66 ppm; 4.19 A): 1 out of 1 assignment used, quality = 1.00: QD1 ILE 50 + HA GLN 47 OK 100 100 100 100 2.0-5.0 4603=99, 3.2/3785=68...(9) Violated in 9 structures by 0.19 A. Peak 4545 from cnoeabs.peaks (1.93, 2.58, 29.96 ppm; 4.71 A): 1 out of 3 assignments used, quality = 0.94: HB ILE 50 + HB2 GLN 47 OK 94 100 95 99 5.3-6.2 3785/3.0=84, ~4543=47...(6) HB2 ARG 34 - HB2 GLN 47 far 0 100 0 - 8.9-10.1 HB3 LYS 39 - HB2 GLN 47 far 0 98 0 - 9.9-11.0 Violated in 20 structures by 1.06 A. Peak 4546 from cnoeabs.peaks (1.59, 2.58, 29.96 ppm; 4.39 A): 1 out of 4 assignments used, quality = 0.99: HB3 LEU 43 + HB2 GLN 47 OK 99 99 100 100 2.0-2.9 1.8/4487=72, 4477/1.8=67...(17) HB2 LEU 41 - HB2 GLN 47 far 0 78 0 - 6.0-7.1 HG3 ARG 34 - HB2 GLN 47 far 0 98 0 - 6.6-8.7 HG2 LYS 49 - HB2 GLN 47 far 0 73 0 - 8.0-9.2 Violated in 0 structures by 0.00 A. Peak 4547 from cnoeabs.peaks (1.24, 2.58, 29.96 ppm; 4.69 A): 2 out of 3 assignments used, quality = 1.00: QG2 THR 46 + HB2 GLN 47 OK 95 97 100 98 5.1-5.5 218/704=78, 4542/3.0=64...(5) HB2 LEU 43 + HB2 GLN 47 OK 93 93 100 100 3.3-3.9 4487=89, 1.8/4546=86...(16) HG LEU 19 - HB2 GLN 47 far 0 100 0 - 7.2-8.5 Violated in 0 structures by 0.00 A. Peak 4548 from cnoeabs.peaks (0.85, 2.58, 29.96 ppm; 4.61 A): 1 out of 3 assignments used, quality = 0.99: QD2 LEU 43 + HB2 GLN 47 OK 99 99 100 100 2.5-3.9 4550/1.8=88, 3.1/4546=66...(17) QD1 LEU 68 - HB2 GLN 47 far 0 95 0 - 7.5-28.8 QD2 LEU 68 - HB2 GLN 47 far 0 97 0 - 8.6-29.9 Violated in 0 structures by 0.00 A. Peak 4549 from cnoeabs.peaks (0.64, 2.58, 29.96 ppm; 5.28 A): 1 out of 1 assignment used, quality = 0.90: QD1 LEU 43 + HB2 GLN 47 OK 90 90 100 100 3.0-3.8 2.1/4548=90, 3.1/4546=81...(15) Violated in 0 structures by 0.00 A. Peak 4550 from cnoeabs.peaks (0.85, 1.83, 29.96 ppm; 4.15 A): 1 out of 3 assignments used, quality = 1.00: QD2 LEU 43 + HB3 GLN 47 OK 100 100 100 100 2.1-4.0 4548/1.8=64, 2.1/4551=62...(20) QD1 LEU 68 - HB3 GLN 47 far 0 99 0 - 6.3-28.7 QD2 LEU 68 - HB3 GLN 47 far 0 100 0 - 7.3-29.5 Violated in 0 structures by 0.00 A. Peak 4551 from cnoeabs.peaks (0.66, 1.83, 29.96 ppm; 4.57 A): 1 out of 1 assignment used, quality = 1.00: QD1 LEU 43 + HB3 GLN 47 OK 100 100 100 100 2.8-4.0 2.1/4550=83, 3.1/4477=59...(18) Violated in 0 structures by 0.00 A. Peak 4552 from cnoeabs.peaks (0.95, 1.83, 29.96 ppm; 4.99 A): 1 out of 2 assignments used, quality = 1.00: QG2 VAL 48 + HB3 GLN 47 OK 100 100 100 100 4.1-4.6 714/222=78, 4539/705=71...(6) QD1 LEU 37 - HB3 GLN 47 far 14 96 15 - 6.0-9.6 Violated in 0 structures by 0.00 A. Peak 4553 from cnoeabs.peaks (1.25, 1.83, 29.96 ppm; 4.47 A): 2 out of 3 assignments used, quality = 0.99: QG2 THR 46 + HB3 GLN 47 OK 97 100 100 97 5.1-5.5 218/705=68, 4542/3.0=68...(5) HB2 LEU 43 + HB3 GLN 47 OK 65 65 100 100 4.4-5.1 1.8/4477=71, 3.1/4550=67...(15) HG LEU 19 - HB3 GLN 47 far 0 96 0 - 7.4-8.6 Violated in 11 structures by 0.04 A. Peak 4554 from cnoeabs.peaks (1.27, 2.55, 35.63 ppm; 4.51 A): 2 out of 3 assignments used, quality = 0.93: QG2 THR 44 + HG2 GLN 47 OK 79 99 100 80 2.1-4.4 691/4565=54, 4509=38 QG2 THR 46 + HG2 GLN 47 OK 65 73 100 88 3.6-4.6 4.3/706=67, 4542/2325=38...(5) HG12 ILE 50 - HG2 GLN 47 far 9 93 10 - 5.2-8.3 Violated in 0 structures by 0.00 A. Peak 4555 from cnoeabs.peaks (1.60, 2.40, 35.63 ppm; 4.57 A): 1 out of 8 assignments used, quality = 1.00: HB3 LEU 43 + HG3 GLN 47 OK 100 100 100 100 2.6-4.7 4546/3.0=64, 4477/3.0=60...(20) HG3 ARG 21 - HG3 GLU 18 poor 15 60 25 - 4.3-8.7 HB3 GLN 15 - HG3 GLU 18 poor 10 29 35 - 5.1-7.5 HB2 LEU 41 - HG3 GLU 18 far 0 52 0 - 6.1-8.1 HB2 LEU 41 - HG3 GLN 47 far 0 95 0 - 7.1-9.5 HG3 ARG 34 - HG3 GLN 47 far 0 87 0 - 8.8-11.3 HB3 GLN 15 - HG3 GLN 47 far 0 60 0 - 9.5-13.5 HB3 LEU 68 - HG3 GLN 47 far 0 65 0 - 9.9-38.1 Violated in 9 structures by 0.03 A. Peak 4556 from cnoeabs.peaks (1.24, 2.40, 35.63 ppm; 4.38 A): 1 out of 5 assignments used, quality = 0.94: QG2 THR 46 + HG3 GLN 47 OK 94 99 100 95 3.7-5.3 218/707=64, 4542/2326=58...(6) HB2 LEU 43 - HG3 GLN 47 poor 17 87 20 - 4.3-6.3 HG LEU 19 - HG3 GLU 18 poor 17 59 50 56 5.3-6.8 536/44=24, 4772/3.0=23 HB2 LEU 43 - HG3 GLU 18 far 0 46 0 - 8.9-11.2 HG LEU 19 - HG3 GLN 47 far 0 100 0 - 9.3-11.1 Violated in 3 structures by 0.12 A. Peak 4561 from cnoeabs.peaks (0.83, 2.40, 35.63 ppm; 4.45 A): 2 out of 6 assignments used, quality = 0.84: QD2 LEU 43 + HG3 GLN 47 OK 76 76 100 100 3.2-4.7 3.1/4555=59, 4834/1.8=54...(19) QG2 ILE 17 + HG3 GLU 18 OK 33 35 100 93 3.9-5.9 4.3/531=44, 4076/1251=35...(11) QD2 LEU 64 - HG3 GLU 18 far 0 47 0 - 8.1-30.4 QD2 LEU 43 - HG3 GLU 18 far 0 38 0 - 8.3-10.4 QD2 LEU 68 - HG3 GLN 47 far 0 65 0 - 8.6-31.6 QD2 LEU 68 - HG3 GLU 18 far 0 32 0 - 9.7-29.3 Violated in 0 structures by 0.00 A. Peak 4563 from cnoeabs.peaks (8.83, 2.58, 29.96 ppm; 4.36 A): 1 out of 1 assignment used, quality = 0.98: H THR 44 + HB2 GLN 47 OK 98 98 100 100 2.1-3.4 4506/1.8=79, 4507/3.0=58...(11) Violated in 0 structures by 0.00 A. Peak 4564 from cnoeabs.peaks (8.84, 1.83, 29.96 ppm; 4.12 A): 1 out of 1 assignment used, quality = 1.00: H THR 44 + HB3 GLN 47 OK 100 100 100 100 3.6-4.7 4506=92, 4563/1.8=62...(11) Violated in 10 structures by 0.12 A. Peak 4565 from cnoeabs.peaks (8.83, 2.55, 35.63 ppm; 4.80 A): 1 out of 1 assignment used, quality = 0.98: H THR 44 + HG2 GLN 47 OK 98 98 100 100 2.0-3.6 4507/1.8=83...(9) Violated in 0 structures by 0.00 A. Peak 4566 from cnoeabs.peaks (8.84, 2.40, 35.63 ppm; 4.78 A): 1 out of 1 assignment used, quality = 1.00: H THR 44 + HG3 GLN 47 OK 100 100 100 100 1.9-4.4 4507=99, 4564/3.0=76...(8) Violated in 0 structures by 0.00 A. Peak 4567 from cnoeabs.peaks (7.52, 1.00, 23.57 ppm; 3.87 A): 1 out of 6 assignments used, quality = 0.95: QE PHE 52 + QG1 VAL 48 OK 95 96 100 100 2.1-2.7 4731=96, 2.2/4792=74...(9) H GLN 15 - QG2 VAL 16 far 5 47 10 - 5.1-5.8 QE PHE 52 - QG2 VAL 16 far 0 45 0 - 6.5-7.5 H TYR 28 - QG1 VAL 48 far 0 93 0 - 6.9-8.3 HE21 GLN 63 - QG2 VAL 16 far 0 42 0 - 7.8-21.8 HE22 GLN 53 - QG1 VAL 48 far 0 92 0 - 8.4-10.7 Violated in 0 structures by 0.00 A. Peak 4569 from cnoeabs.peaks (1.96, 3.63, 67.46 ppm; 5.00 A): 1 out of 4 assignments used, quality = 0.78: HB ILE 50 + HA VAL 48 OK 78 85 100 91 5.1-5.9 244/1032=69...(6) HD3 ARG 55 - HA VAL 48 far 0 90 0 - 7.1-9.4 HB2 ARG 34 - HA VAL 48 far 0 89 0 - 7.8-9.0 HD3 LYS 22 - HA VAL 48 far 0 100 0 - 8.5-11.2 Violated in 20 structures by 0.46 A. Peak 4570 from cnoeabs.peaks (1.33, 2.16, 32.06 ppm; 4.12 A): 2 out of 2 assignments used, quality = 1.00: HG2 ARG 34 + HB VAL 48 OK 98 98 100 100 2.7-3.7 4331/2.1=60, 4339=59...(18) QB ALA 38 + HB VAL 48 OK 95 96 100 100 3.1-4.2 4405/2.1=88, 4409=82...(15) Violated in 0 structures by 0.00 A. Peak 4571 from cnoeabs.peaks (1.58, 2.16, 32.06 ppm; 4.31 A): 3 out of 5 assignments used, quality = 0.99: HG3 ARG 34 + HB VAL 48 OK 98 98 100 100 2.1-4.1 4329/2.1=78, 1.8/4339=62...(18) HG LEU 37 + HB VAL 48 OK 40 89 55 83 4.6-6.8 4573/2.1=39, 1964/2.1=34...(7) HB3 LEU 43 + HB VAL 48 OK 23 68 35 97 5.1-6.5 ~4472=47, 4476/2.1=45...(11) HG2 LYS 49 - HB VAL 48 far 10 99 10 - 5.4-7.1 QB ALA 31 - HB VAL 48 far 0 85 0 - 8.7-10.1 Violated in 0 structures by 0.00 A. Peak 4572 from cnoeabs.peaks (1.91, 2.16, 32.06 ppm; 4.88 A): 1 out of 3 assignments used, quality = 0.68: HB3 LYS 49 + HB VAL 48 OK 68 71 100 96 4.3-4.8 4.0/229=78, ~4583=50...(5) HB2 GLU 33 - HB VAL 48 far 0 76 0 - 8.1-10.0 HB3 LYS 39 - HB VAL 48 far 0 87 0 - 9.0-9.7 Violated in 0 structures by 0.00 A. Peak 4573 from cnoeabs.peaks (1.56, 1.00, 23.57 ppm; 3.65 A): 2 out of 9 assignments used, quality = 0.96: HG LEU 37 + QG1 VAL 48 OK 81 100 100 81 2.8-4.4 1964/2.1=35...(10) HG3 ARG 34 + QG1 VAL 48 OK 78 78 100 99 1.9-3.0 4329=52, 1.8/4331=45...(20) HG2 LYS 49 - QG1 VAL 48 far 10 99 10 - 4.8-6.4 HD3 LYS 58 - QG2 VAL 16 far 0 31 0 - 7.0-14.4 QB ALA 31 - QG1 VAL 48 far 0 99 0 - 7.4-8.7 HG3 LYS 39 - QG1 VAL 48 far 0 85 0 - 7.9-9.6 HG LEU 37 - QG2 VAL 16 far 0 50 0 - 8.0-9.8 HD2 LYS 58 - QG2 VAL 16 far 0 31 0 - 8.3-13.6 HB3 LYS 27 - QG1 VAL 48 far 0 100 0 - 8.3-9.5 Violated in 0 structures by 0.00 A. Peak 4574 from cnoeabs.peaks (1.33, 1.00, 23.57 ppm; 4.19 A): 2 out of 6 assignments used, quality = 0.99: HG2 ARG 34 + QG1 VAL 48 OK 93 93 100 100 2.1-3.9 1.8/4329=79, 4331=64...(19) QB ALA 38 + QG1 VAL 48 OK 88 89 100 99 3.3-4.7 4405/2.1=79, 4409/2.1=58...(15) HD3 LYS 27 - QG1 VAL 48 far 0 99 0 - 8.3-9.7 QB ALA 38 - QG2 VAL 16 far 0 40 0 - 8.8-10.1 HG2 LYS 42 - QG1 VAL 48 far 0 65 0 - 9.4-12.1 HG2 LYS 42 - QG2 VAL 16 far 0 27 0 - 9.4-12.5 Violated in 0 structures by 0.00 A. Peak 4575 from cnoeabs.peaks (1.58, 0.95, 23.79 ppm; 3.86 A): 3 out of 6 assignments used, quality = 1.00: HG3 ARG 34 + QG2 VAL 48 OK 100 100 100 100 2.6-4.2 4329/2.1=67, 1.8/4576=45...(25) HB3 LEU 43 + QG2 VAL 48 OK 80 81 100 99 2.9-4.0 4476=67, 1.8/4472=61...(16) HG LEU 37 + QG2 VAL 48 OK 72 78 100 92 2.2-4.5 1964=29, 3.0/1957=28...(16) HG2 LYS 49 - QG2 VAL 48 far 0 97 0 - 6.5-7.7 QB ALA 31 - QG2 VAL 48 far 0 73 0 - 8.2-9.2 HG3 ARG 21 - QG2 VAL 48 far 0 78 0 - 9.2-11.8 Violated in 0 structures by 0.00 A. Peak 4576 from cnoeabs.peaks (1.33, 0.95, 23.79 ppm; 3.19 A): 2 out of 4 assignments used, quality = 1.00: QB ALA 38 + QG2 VAL 48 OK 95 96 100 100 1.9-2.8 4405=93, 4409/2.1=36...(24) HG2 ARG 34 + QG2 VAL 48 OK 94 98 100 96 2.9-4.1 4331/2.1=33, ~4329=30...(20) HG2 LYS 42 - QG2 VAL 48 far 0 78 0 - 7.3-9.6 HG3 LYS 42 - QG2 VAL 48 far 0 78 0 - 8.4-10.0 Violated in 0 structures by 0.00 A. Peak 4577 from cnoeabs.peaks (1.22, 0.95, 23.79 ppm; 3.60 A): 2 out of 4 assignments used, quality = 0.99: HB2 LEU 43 + QG2 VAL 48 OK 97 98 100 99 2.5-3.7 4472=65, 1.8/4476=64...(17) HG LEU 19 + QG2 VAL 48 OK 66 73 100 90 4.1-5.0 2.1/4117=28, ~4825=25...(18) HB2 LEU 29 - QG2 VAL 48 far 0 68 0 - 5.4-7.6 QG2 THR 14 - QG2 VAL 48 far 0 98 0 - 9.0-11.0 Violated in 0 structures by 0.00 A. Peak 4578 from cnoeabs.peaks (0.65, 3.63, 67.46 ppm; 4.87 A): 1 out of 2 assignments used, quality = 1.00: QD1 LEU 43 + HA VAL 48 OK 100 100 100 100 3.4-4.7 4480/2365=66...(16) HB2 ARG 55 - HA VAL 48 far 0 100 0 - 8.1-9.8 Violated in 0 structures by 0.00 A. Peak 4579 from cnoeabs.peaks (0.52, 3.63, 67.46 ppm; 4.66 A): 1 out of 1 assignment used, quality = 0.92: QD2 LEU 19 + HA VAL 48 OK 92 92 100 100 2.5-3.1 2.1/4580=66...(22) Violated in 0 structures by 0.00 A. Peak 4580 from cnoeabs.peaks (-0.28, 3.63, 67.46 ppm; 5.07 A): 1 out of 3 assignments used, quality = 1.00: QD1 LEU 19 + HA VAL 48 OK 100 100 100 100 3.6-4.8 2.1/4579=85...(17) HG2 ARG 55 - HA VAL 48 far 0 100 0 - 7.2-8.9 HB3 ARG 55 - HA VAL 48 far 0 100 0 - 7.7-10.3 Violated in 0 structures by 0.00 A. Peak 4581 from cnoeabs.peaks (0.14, 1.00, 23.57 ppm; 3.58 A): 1 out of 2 assignments used, quality = 0.90: QD1 LEU 29 + QG1 VAL 48 OK 90 97 100 93 2.1-3.0 4230=48, 4326/4853=31...(10) QD1 LEU 29 - QG2 VAL 16 far 0 46 0 - 8.5-9.3 Violated in 0 structures by 0.00 A. Peak 4583 from cnoeabs.peaks (0.99, 4.33, 59.98 ppm; 4.22 A): 1 out of 2 assignments used, quality = 0.99: QG1 VAL 48 + HA LYS 49 OK 99 99 100 100 3.4-3.5 4854=96, 230/3.0=66...(10) QD1 LEU 37 - HA LYS 49 far 0 63 0 - 6.5-9.9 Violated in 0 structures by 0.00 A. Peak 4584 from cnoeabs.peaks (1.26, 2.13, 33.10 ppm; 4.73 A): 1 out of 3 assignments used, quality = 0.99: QG2 THR 46 + HB2 LYS 49 OK 99 99 100 100 3.7-4.1 3.2/3778=84, 4585/1.8=53...(11) QG2 THR 44 - HB2 LYS 49 far 0 71 0 - 7.9-8.7 HB2 LEU 29 - HB2 LYS 49 far 0 92 0 - 9.0-11.0 Violated in 0 structures by 0.00 A. Peak 4585 from cnoeabs.peaks (1.24, 1.88, 33.10 ppm; 5.02 A): 1 out of 3 assignments used, quality = 0.96: QG2 THR 46 + HB3 LYS 49 OK 96 97 100 100 4.2-5.5 3.2/3780=83, 4584/1.8=63...(10) HB2 LEU 29 - HB3 LYS 49 far 0 100 0 - 7.5-9.5 HB2 LEU 43 - HB3 LYS 49 far 0 93 0 - 8.8-10.2 Violated in 5 structures by 0.05 A. Peak 4586 from cnoeabs.peaks (0.63, 1.57, 24.91 ppm; 4.52 A): 0 out of 2 assignments used, quality = 0.00: QD1 LEU 43 - HG2 LYS 49 far 0 63 0 - 9.1-10.8 HB2 ARG 55 - HG2 LYS 49 far 0 76 0 - 9.3-12.6 Violated in 20 structures by 4.57 A. Peak 4591 from cnoeabs.peaks (3.27, 2.13, 33.10 ppm; 4.86 A): 2 out of 3 assignments used, quality = 1.00: HD3 ARG 34 + HB2 LYS 49 OK 100 100 100 100 4.3-6.3 4342/3.0=72, 4593/1.8=70...(9) HB2 PHE 52 + HB2 LYS 49 OK 50 99 55 92 5.5-7.5 3798/3.0=60, ~3800=48...(6) HB3 TRP 51 - HB2 LYS 49 far 0 76 0 - 6.7-7.5 Violated in 11 structures by 0.27 A. Peak 4592 from cnoeabs.peaks (3.54, 1.88, 33.10 ppm; 4.33 A): 2 out of 2 assignments used, quality = 0.96: HD2 ARG 34 + HB3 LYS 49 OK 94 100 95 99 3.0-5.9 1.8/4593=61, 4340/3.0=57...(10) HB3 PHE 52 + HB3 LYS 49 OK 37 96 45 85 5.3-7.4 3800/3.0=49, ~3798=35...(6) Violated in 7 structures by 0.16 A. Peak 4593 from cnoeabs.peaks (3.27, 1.88, 33.10 ppm; 4.16 A): 2 out of 3 assignments used, quality = 0.99: HD3 ARG 34 + HB3 LYS 49 OK 99 100 100 99 2.9-4.8 4342/3.0=54, 1.8/4592=52...(10) HB2 PHE 52 + HB3 LYS 49 OK 33 99 40 83 5.1-7.4 3798/3.0=43, ~3800=35...(6) HB3 TRP 51 - HB3 LYS 49 far 0 76 0 - 6.9-8.2 Violated in 6 structures by 0.07 A. Peak 4594 from cnoeabs.peaks (6.94, 3.77, 64.05 ppm; 4.95 A): 1 out of 3 assignments used, quality = 0.98: HE21 GLN 53 + HA ILE 50 OK 98 99 100 100 2.7-5.1 3.5/4600=67, 4.4/3806=67...(9) HE3 TRP 51 - HA ILE 50 far 0 60 0 - 7.1-7.8 HZ PHE 23 - HA ILE 50 far 0 99 0 - 9.6-11.9 Violated in 4 structures by 0.02 A. Peak 4596 from cnoeabs.peaks (7.49, 0.91, 17.21 ppm; 4.01 A): 2 out of 2 assignments used, quality = 1.00: HD21 ASN 54 + QG2 ILE 50 OK 100 100 100 100 1.9-3.3 4660=100, 1.7/4661=93...(9) HE22 GLN 53 + QG2 ILE 50 OK 39 93 75 55 2.8-7.3 ~4594=30, 4.4/4607=18...(4) Violated in 0 structures by 0.00 A. Peak 4597 from cnoeabs.peaks (6.90, 0.91, 17.21 ppm; 3.80 A): 1 out of 2 assignments used, quality = 0.99: HD22 ASN 54 + QG2 ILE 50 OK 99 99 100 100 1.9-3.3 4661=99, 1.7/4660=81...(7) HE21 GLN 47 - QG2 ILE 50 far 0 99 0 - 6.3-7.7 Violated in 0 structures by 0.00 A. Peak 4598 from cnoeabs.peaks (8.04, 0.80, 12.55 ppm; 5.25 A): 2 out of 2 assignments used, quality = 1.00: H GLN 53 + QD1 ILE 50 OK 94 100 100 94 4.8-6.5 3803/2477=78...(6) H GLN 47 + QD1 ILE 50 OK 93 93 100 100 4.3-6.5 3.0/4603=86, 4.3/4538=76...(9) Violated in 3 structures by 0.01 A. Peak 4599 from cnoeabs.peaks (6.91, 0.80, 12.55 ppm; 4.97 A): 3 out of 3 assignments used, quality = 1.00: HD22 ASN 54 + QD1 ILE 50 OK 99 100 100 99 4.0-6.2 4661/2491=93, ~4660=61...(6) HE21 GLN 53 + QD1 ILE 50 OK 41 76 95 57 2.6-7.4 4.4/4605=22...(5) HE21 GLN 47 + QD1 ILE 50 OK 28 100 35 81 5.3-8.6 2327/4544=54, ~4560=52 Violated in 1 structures by 0.00 A. Peak 4600 from cnoeabs.peaks (2.35, 3.77, 64.05 ppm; 4.55 A): 1 out of 1 assignment used, quality = 0.90: HG3 GLN 53 + HA ILE 50 OK 90 90 100 100 3.6-5.2 3.0/3806=79, 1.8/4601=76...(10) Violated in 16 structures by 0.34 A. Peak 4601 from cnoeabs.peaks (2.43, 3.77, 64.05 ppm; 4.66 A): 1 out of 3 assignments used, quality = 0.97: HG2 GLN 53 + HA ILE 50 OK 97 97 100 100 2.0-4.6 3.0/3806=82, 1.8/4600=82...(10) HD2 ARG 55 - HA ILE 50 far 0 83 0 - 7.1-10.7 HG3 GLN 47 - HA ILE 50 far 0 73 0 - 7.6-9.5 Violated in 0 structures by 0.00 A. Peak 4602 from cnoeabs.peaks (3.98, 0.91, 17.21 ppm; 4.46 A): 1 out of 1 assignment used, quality = 0.66: HA GLN 47 + QG2 ILE 50 OK 66 68 100 97 4.2-4.9 4543=54, 3785/2.1=50...(7) Violated in 14 structures by 0.14 A. Peak 4603 from cnoeabs.peaks (3.95, 0.80, 12.55 ppm; 4.18 A): 1 out of 3 assignments used, quality = 1.00: HA GLN 47 + QD1 ILE 50 OK 100 100 100 100 2.0-5.0 4544=99, 3785/3.2=67...(9) HA GLN 53 - QD1 ILE 50 far 0 90 0 - 5.9-8.2 HB2 SER 66 - QD1 ILE 50 far 0 97 0 - 9.3-26.0 Violated in 9 structures by 0.19 A. Peak 4604 from cnoeabs.peaks (2.98, 0.80, 12.55 ppm; 4.72 A): 2 out of 3 assignments used, quality = 0.85: HE2 LYS 49 + QD1 ILE 50 OK 63 100 100 63 3.0-6.1 4.8/4605=30...(7) HE3 LYS 49 + QD1 ILE 50 OK 60 100 95 63 2.7-6.2 4.8/4605=30...(10) HE2 LYS 62 - QD1 ILE 50 far 0 100 0 - 9.2-23.8 Violated in 10 structures by 0.02 A. Peak 4605 from cnoeabs.peaks (2.13, 0.80, 12.55 ppm; 4.51 A): 2 out of 2 assignments used, quality = 1.00: HB2 LYS 49 + QD1 ILE 50 OK 99 100 100 99 2.7-5.0 3534/2506=58...(21) HB2 GLN 53 + QD1 ILE 50 OK 62 71 100 87 3.3-5.7 3805/2477=39...(8) Violated in 2 structures by 0.00 A. Peak 4607 from cnoeabs.peaks (2.14, 0.91, 17.21 ppm; 4.83 A): 2 out of 3 assignments used, quality = 1.00: HB2 GLN 53 + QG2 ILE 50 OK 99 99 100 100 3.3-4.0 3805/2474=79...(13) HB2 LYS 49 + QG2 ILE 50 OK 88 90 100 97 5.1-5.7 4.4/728=62, 3804/2474=33...(18) HB VAL 48 - QG2 ILE 50 far 0 81 0 - 7.5-8.1 Violated in 0 structures by 0.00 A. Peak 4608 from cnoeabs.peaks (2.13, 1.29, 29.13 ppm; 4.81 A): 2 out of 2 assignments used, quality = 1.00: HB2 LYS 49 + HG12 ILE 50 OK 99 100 100 99 3.2-4.9 3534/729=71, 4609/3.0=56...(18) HB2 GLN 53 + HG12 ILE 50 OK 72 81 100 89 4.2-5.5 3805/2475=54...(6) Violated in 0 structures by 0.00 A. Peak 4609 from cnoeabs.peaks (2.12, 1.94, 37.64 ppm; 4.90 A): 1 out of 1 assignment used, quality = 0.94: HB2 LYS 49 + HB ILE 50 OK 94 97 100 97 4.6-5.0 3534/727=76, 4605/3.2=41...(17) Violated in 13 structures by 0.02 A. Peak 4610 from cnoeabs.peaks (0.02, 0.80, 12.55 ppm; 4.49 A): 0 out of 0 assignments used, quality = 0.00: Peak 4611 from cnoeabs.peaks (1.95, 4.02, 63.12 ppm; 4.88 A): 2 out of 2 assignments used, quality = 0.99: HB ILE 50 + HA TRP 51 OK 96 96 100 100 4.0-4.3 244/2.9=87, 2.1/4623=87...(13) HD3 ARG 55 + HA TRP 51 OK 73 76 100 97 2.7-5.2 4677/4572=71...(8) Violated in 0 structures by 0.00 A. Peak 4612 from cnoeabs.peaks (1.94, 3.50, 29.17 ppm; 4.57 A): 2 out of 3 assignments used, quality = 0.99: HB ILE 50 + HB2 TRP 51 OK 99 99 100 100 5.0-5.3 4614/1.8=87, 244/734=79...(7) HD3 ARG 55 + HB2 TRP 51 OK 60 63 100 95 4.3-6.0 4677/4573=60...(10) HD3 LYS 22 - HB2 TRP 51 far 0 89 0 - 9.5-11.8 Violated in 11 structures by 0.08 A. Peak 4613 from cnoeabs.peaks (3.01, 3.29, 29.17 ppm; 4.99 A): 0 out of 4 assignments used, quality = 0.00: HE2 LYS 62 - HB3 TRP 51 far 0 76 0 - 7.7-26.1 HE3 LYS 49 - HB3 TRP 51 far 0 65 0 - 7.9-11.1 HE2 LYS 49 - HB3 TRP 51 far 0 65 0 - 8.8-11.5 HE3 LYS 62 - HB3 TRP 51 far 0 83 0 - 8.9-26.1 Violated in 20 structures by 3.56 A. Peak 4614 from cnoeabs.peaks (1.94, 3.29, 29.17 ppm; 4.17 A): 1 out of 1 assignment used, quality = 0.96: HB ILE 50 + HB3 TRP 51 OK 96 100 100 96 4.0-4.3 244/735=72, 4612/1.8=41...(6) Violated in 11 structures by 0.02 A. Peak 4615 from cnoeabs.peaks (1.95, 7.14, 127.21 ppm; 4.19 A): 1 out of 2 assignments used, quality = 0.78: HD3 ARG 55 + HD1 TRP 51 OK 78 81 100 97 3.9-4.6 4619/2.6=68...(11) HB ILE 50 - HD1 TRP 51 far 4 90 5 - 5.6-6.2 Violated in 18 structures by 0.19 A. Peak 4621 from cnoeabs.peaks (0.93, 3.29, 29.17 ppm; 5.08 A): 2 out of 5 assignments used, quality = 0.98: QG2 VAL 48 + HB3 TRP 51 OK 86 87 100 99 4.7-5.4 3.2/3793=81, ~3790=59...(6) QG2 ILE 50 + HB3 TRP 51 OK 82 83 100 100 3.9-4.9 2.1/4614=93, 4.3/735=78...(5) QD1 LEU 37 - HB3 TRP 51 poor 12 60 20 - 5.4-9.0 QD2 LEU 37 - HB3 TRP 51 poor 11 90 35 33 6.2-9.8 4374/4115=16...(3) QD1 LEU 64 - HB3 TRP 51 far 0 63 0 - 9.1-26.6 Violated in 0 structures by 0.00 A. Peak 4622 from cnoeabs.peaks (0.95, 3.50, 29.17 ppm; 5.10 A): 1 out of 2 assignments used, quality = 0.98: QG2 VAL 48 + HB2 TRP 51 OK 98 100 100 98 4.3-5.0 2365/3790=83, ~3793=58...(6) QD1 LEU 37 - HB2 TRP 51 poor 15 96 25 64 4.8-8.3 4378/4114=62, ~4621=4 Violated in 0 structures by 0.00 A. Peak 4623 from cnoeabs.peaks (0.91, 4.02, 63.12 ppm; 4.29 A): 1 out of 3 assignments used, quality = 1.00: QG2 ILE 50 + HA TRP 51 OK 100 100 100 100 3.1-3.7 245/2.9=73, 4660/4664=47...(17) QD2 LEU 37 - HA TRP 51 far 0 99 0 - 7.7-11.3 QD1 LEU 64 - HA TRP 51 far 0 100 0 - 8.4-24.7 Violated in 0 structures by 0.00 A. Peak 4625 from cnoeabs.peaks (3.76, 6.97, 121.43 ppm; 4.97 A): 1 out of 4 assignments used, quality = 0.85: HA PHE 52 + HE3 TRP 51 OK 85 85 100 100 2.2-2.8 4794=86, 2.9/254=78...(14) HA ILE 50 - HE3 TRP 51 far 0 85 0 - 7.1-7.8 HA ARG 34 - HE3 TRP 51 far 0 57 0 - 9.0-9.9 HA GLN 15 - HE3 TRP 51 far 0 47 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 4626 from cnoeabs.peaks (7.72, 3.50, 29.17 ppm; 5.08 A): 1 out of 2 assignments used, quality = 0.74: QD PHE 52 + HB2 TRP 51 OK 74 76 100 98 2.2-2.4 747/4.3=54, 4098/4114=53...(11) H ARG 56 - HB2 TRP 51 far 0 76 0 - 6.9-7.9 Violated in 0 structures by 0.00 A. Peak 4627 from cnoeabs.peaks (7.73, 6.97, 121.43 ppm; 5.42 A): 2 out of 3 assignments used, quality = 0.87: QD PHE 52 + HE3 TRP 51 OK 78 78 100 100 2.0-2.3 2.2/4701=94, 3.7/4794=75...(13) H ARG 56 + HE3 TRP 51 OK 39 78 100 50 5.4-6.6 3822/4794=29...(5) H THR 59 - HE3 TRP 51 far 0 85 0 - 9.7-10.7 Violated in 0 structures by 0.00 A. Peak 4628 from cnoeabs.peaks (4.23, 6.44, 123.75 ppm; 4.23 A): 1 out of 2 assignments used, quality = 0.84: HA GLU 20 + HH2 TRP 51 OK 84 84 100 100 2.0-2.4 4131=98, 4684/2.5=68...(11) HA ARG 61 - HH2 TRP 51 far 4 74 5 - 5.6-17.0 Violated in 0 structures by 0.00 A. Peak 4629 from cnoeabs.peaks (2.45, 7.25, 114.23 ppm; 4.36 A): 2 out of 3 assignments used, quality = 0.96: HG2 GLU 20 + HZ2 TRP 51 OK 90 90 100 100 2.3-5.6 4132=83, 1.8/4133=73...(11) HG3 GLU 20 + HZ2 TRP 51 OK 64 64 100 100 2.0-4.4 1.8/4132=75, ~4691=52...(11) HB2 ASN 54 - HZ2 TRP 51 far 0 64 0 - 8.0-9.8 Violated in 0 structures by 0.00 A. Peak 4630 from cnoeabs.peaks (1.97, 7.25, 114.23 ppm; 5.11 A): 1 out of 8 assignments used, quality = 0.98: HD3 ARG 55 + HZ2 TRP 51 OK 98 98 100 100 2.7-4.8 4619/2.8=80, 4836=78...(13) HB3 GLN 63 - HZ2 TRP 51 far 3 64 5 - 4.7-22.7 HB2 MET 11 - HZ2 TRP 51 far 0 64 0 - 6.9-9.1 HB2 GLU 18 - HZ2 TRP 51 far 0 67 0 - 7.5-8.6 HB2 ARG 21 - HZ2 TRP 51 far 0 98 0 - 8.1-9.2 HB3 GLU 18 - HZ2 TRP 51 far 0 67 0 - 8.3-9.7 HB3 ARG 21 - HZ2 TRP 51 far 0 98 0 - 9.6-10.6 HD3 LYS 22 - HZ2 TRP 51 far 0 94 0 - 9.8-12.9 Violated in 0 structures by 0.00 A. Peak 4631 from cnoeabs.peaks (1.02, 7.25, 114.23 ppm; 4.18 A): 2 out of 3 assignments used, quality = 1.00: QG2 VAL 16 + HZ2 TRP 51 OK 95 95 100 100 2.0-3.8 2.1/4043=71, 4047/2.8=57...(17) QG1 VAL 16 + HZ2 TRP 51 OK 93 93 100 100 2.8-3.8 4043=92, 4048/2.8=57...(15) QG1 VAL 48 - HZ2 TRP 51 far 0 67 0 - 7.5-8.3 Violated in 0 structures by 0.00 A. Peak 4634 from cnoeabs.peaks (7.17, 7.53, 132.28 ppm; 4.43 A): 0 out of 0 assignments used, 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 3 assignments used, quality = 1.00: QE PHE 52 + HZ PHE 52 OK 100 100 100 100 2.2-2.2 2.2=100 H TYR 28 - HZ PHE 52 far 0 81 0 - 7.2-9.1 H GLU 18 - HZ PHE 52 far 0 63 0 - 7.7-9.9 Violated in 0 structures by 0.00 A. Peak 4637 from cnoeabs.peaks (7.72, 7.18, 59.08 ppm; 5.18 A): 1 out of 2 assignments used, quality = 0.78: QD PHE 52 + HZ PHE 52 OK 78 78 100 100 3.8-3.8 3.8=100 H ARG 56 - HZ PHE 52 far 0 78 0 - 9.1-10.3 Violated in 0 structures by 0.00 A. Peak 4638 from cnoeabs.peaks (4.74, 7.18, 59.08 ppm; 5.10 A): 1 out of 2 assignments used, quality = 0.94: HA PHE 23 + HZ PHE 52 OK 94 95 100 100 2.9-4.3 4703/2.2=91, ~4746=49...(7) HA TYR 28 - HZ PHE 52 lone 3 71 50 10 5.9-8.0 1686/2.2=8 Violated in 0 structures by 0.00 A. Peak 4640 from cnoeabs.peaks (2.38, 7.18, 59.08 ppm; 4.53 A): 1 out of 6 assignments used, quality = 1.00: HB3 LYS 22 + HZ PHE 52 OK 100 100 100 100 1.9-2.5 4142=100, 1.8/4141=79...(11) HG3 GLU 18 - HZ PHE 52 far 0 73 0 - 8.4-10.8 HD2 ARG 55 - HZ PHE 52 far 0 73 0 - 8.8-10.3 HG2 MET 11 - HZ PHE 52 far 0 100 0 - 9.3-13.9 HG3 GLN 53 - HZ PHE 52 far 0 92 0 - 9.4-12.7 HG2 GLU 45 - HZ PHE 52 far 0 92 0 - 9.7-12.2 Violated in 0 structures by 0.00 A. Peak 4641 from cnoeabs.peaks (2.04, 7.18, 59.08 ppm; 5.07 A): 1 out of 5 assignments used, quality = 0.92: HB2 LYS 22 + HZ PHE 52 OK 92 92 100 100 1.9-4.1 1.8/4142=94, 4141=87...(10) HB2 GLN 26 - HZ PHE 52 far 0 85 0 - 6.8-9.2 HB3 GLN 26 - HZ PHE 52 far 0 85 0 - 7.1-8.9 HB3 GLU 20 - HZ PHE 52 far 0 100 0 - 7.4-8.7 HB3 ARG 56 - HZ PHE 52 far 0 100 0 - 8.8-11.6 Violated in 0 structures by 0.00 A. Peak 4642 from cnoeabs.peaks (1.68, 7.18, 59.08 ppm; 4.14 A): 2 out of 5 assignments used, quality = 1.00: HG3 LYS 22 + HZ PHE 52 OK 100 100 100 100 2.5-4.6 1.8/4144=74, 4145=73...(11) HB2 LEU 37 + HZ PHE 52 OK 73 89 90 91 4.4-6.1 ~4391=35, 3.1/4392=33...(8) HD2 LYS 62 - HZ PHE 52 far 0 97 0 - 8.9-23.9 HD3 LYS 49 - HZ PHE 52 far 0 81 0 - 9.0-12.5 HD2 LYS 49 - HZ PHE 52 far 0 78 0 - 9.0-12.0 Violated in 7 structures by 0.03 A. Peak 4643 from cnoeabs.peaks (0.93, 7.18, 59.08 ppm; 4.72 A): 2 out of 3 assignments used, quality = 0.99: QD2 LEU 37 + HZ PHE 52 OK 97 97 100 100 2.1-4.5 4391/2.2=83, 4392=62...(12) QG2 VAL 48 + HZ PHE 52 OK 73 76 100 96 4.6-5.5 ~4731=63, ~4567=62...(10) QG2 ILE 50 - HZ PHE 52 far 0 92 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 4644 from cnoeabs.peaks (0.95, 7.53, 132.28 ppm; 5.30 A): 0 out of 0 assignments used, quality = 0.00: Peak 4645 from cnoeabs.peaks (0.98, 7.75, 131.98 ppm; 5.25 A): 0 out of 0 assignments used, quality = 0.00: Peak 4646 from cnoeabs.peaks (0.52, 7.53, 132.28 ppm; 4.97 A): 0 out of 0 assignments used, 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 = 1.00: QD2 LEU 29 + HZ PHE 52 OK 100 100 100 100 3.2-4.4 4724/2.2=79, 2.1/4249=77...(13) Violated in 0 structures by 0.00 A. Peak 4648 from cnoeabs.peaks (0.15, 7.18, 59.08 ppm; 4.95 A): 1 out of 1 assignment used, quality = 1.00: QD1 LEU 29 + HZ PHE 52 OK 100 100 100 100 1.9-3.4 4249=98, 4248/2.2=83...(14) Violated in 0 structures by 0.00 A. Peak 4649 from cnoeabs.peaks (3.79, 3.94, 59.15 ppm; 4.71 A): 1 out of 1 assignment used, quality = 0.90: HA ILE 50 + HA GLN 53 OK 90 90 100 100 5.0-5.4 3806/3.0=71, 3803/2.9=65...(9) Violated in 20 structures by 0.51 A. Peak 4650 from cnoeabs.peaks (3.78, 2.44, 33.72 ppm; 4.95 A): 1 out of 2 assignments used, quality = 1.00: HA ILE 50 + HG2 GLN 53 OK 100 100 100 100 2.0-4.6 4601=94, 4600/1.8=88...(10) HA PHE 52 - HG2 GLN 53 far 4 78 5 - 5.9-7.2 Violated in 0 structures by 0.00 A. Peak 4652 from cnoeabs.peaks (3.13, 2.37, 33.72 ppm; 6.00 A): 0 out of 7 assignments used, quality = 0.00: HD3 ARG 61 - HG3 GLN 63 far 9 87 10 - 5.1-12.4 HD2 ARG 61 - HG3 GLN 63 far 9 87 10 - 6.1-12.3 HD3 ARG 61 - HG2 GLN 63 far 8 83 10 - 6.8-13.4 HD2 ARG 61 - HG2 GLN 63 far 4 83 5 - 7.1-12.1 HB2 PHE 23 - HG3 GLN 53 far 0 68 0 - 8.7-12.8 HB2 PHE 23 - HG2 GLN 63 far 0 57 0 - 9.3-25.1 HB2 PHE 23 - HG3 GLN 63 far 0 61 0 - 9.9-24.3 Violated in 18 structures by 1.57 A. Peak 4655 from cnoeabs.peaks (6.69, 2.15, 28.54 ppm; 4.67 A): 1 out of 1 assignment used, quality = 0.84: HE22 GLN 15 + HB3 LYS 42 OK 84 84 100 100 3.2-4.9 4039=98, 1.7/4032=85...(4) Violated in 1 structures by 0.01 A. Peak 4656 from cnoeabs.peaks (6.82, 2.44, 33.72 ppm; 5.07 A): 0 out of 2 assignments used, quality = 0.00: QE TYR 28 - HG2 GLN 53 far 6 63 10 - 6.1-12.2 QE TYR 57 - HG2 GLN 53 far 0 100 0 - 6.6-10.6 Violated in 20 structures by 2.02 A. Peak 4658 from cnoeabs.peaks (0.90, 2.48, 37.68 ppm; 5.36 A): 1 out of 2 assignments used, quality = 0.97: QG2 ILE 50 + HB2 ASN 54 OK 97 97 100 100 4.2-5.0 4661/3.4=88, 4660/3.4=88...(7) QD1 LEU 64 - HB2 ASN 54 far 0 100 0 - 7.3-21.8 Violated in 0 structures by 0.00 A. Peak 4659 from cnoeabs.peaks (0.90, 2.65, 37.68 ppm; 4.99 A): 1 out of 2 assignments used, quality = 0.92: QG2 ILE 50 + HB3 ASN 54 OK 92 92 100 100 2.9-3.6 4660/3.4=78, 4661/3.4=76...(7) QD1 LEU 64 - HB3 ASN 54 far 0 99 0 - 8.2-22.9 Violated in 0 structures by 0.00 A. Peak 4663 from cnoeabs.peaks (3.91, 4.36, 55.11 ppm; 4.46 A): 1 out of 9 assignments used, quality = 0.74: HA GLN 53 + HA ASN 54 OK 74 76 100 98 4.8-4.8 ~265=39, 3823/3.6=39...(12) HB2 SER 66 - HA LEU 68 poor 10 49 20 - 3.9-8.6 HB2 SER 66 - HA LEU 64 poor 8 30 25 - 5.5-8.7 HB2 SER 65 - HA LEU 64 lone 4 48 55 16 4.4-6.5 ~3639=8, 3640/2.9=7 HB2 SER 65 - HA LEU 68 far 0 75 0 - 6.5-12.4 HA GLN 53 - HA LEU 64 far 0 38 0 - 6.9-23.0 HB2 SER 66 - HA ASN 54 far 0 63 0 - 8.9-23.6 HB2 SER 65 - HA ASN 54 far 0 90 0 - 9.3-22.7 HA LYS 27 - HA ASN 54 far 0 96 0 - 10.0-13.0 Violated in 20 structures by 0.34 A. Peak 4667 from cnoeabs.peaks (7.13, 4.36, 55.11 ppm; 4.72 A): 1 out of 8 assignments used, quality = 0.89: QD TYR 57 + HA ASN 54 OK 89 89 100 100 3.1-5.2 2.5/3834=86, 2.5/3832=84...(6) QD TYR 57 - HA LEU 68 far 4 73 5 - 4.4-22.7 HD1 TRP 51 - HA LEU 68 far 0 79 0 - 6.7-32.4 HD2 HIS 13 - HA LEU 64 far 0 57 0 - 6.8-32.7 QD TYR 57 - HA LEU 64 far 0 47 0 - 7.0-19.6 HD1 TRP 51 - HA ASN 54 far 0 95 0 - 8.3-9.4 HD1 TRP 51 - HA LEU 64 far 0 52 0 - 9.0-27.8 QD TYR 28 - HA ASN 54 far 0 100 0 - 9.2-12.7 Violated in 1 structures by 0.03 A. Peak 4669 from cnoeabs.peaks (1.52, 3.43, 56.09 ppm; 4.93 A): 2 out of 2 assignments used, quality = 0.86: HD3 LYS 58 + HA ARG 55 OK 63 87 75 97 3.0-8.5 3.5/3841=67, 3.5/3839=63...(5) HD2 LYS 58 + HA ARG 55 OK 63 87 75 97 3.5-8.1 3.5/3841=67, 3.5/3839=63...(5) Violated in 9 structures by 0.51 A. Peak 4673 from cnoeabs.peaks (7.16, 4.08, 59.51 ppm; 4.07 A): 1 out of 5 assignments used, quality = 0.93: QE PHE 23 + HA ARG 56 OK 93 93 100 100 2.9-4.1 2.2/4674=79, 4638=63...(14) QD TYR 57 - HA ARG 56 far 0 92 0 - 6.3-6.6 HZ PHE 52 - HA ARG 21 far 0 77 0 - 7.0-8.0 QE PHE 23 - HA ARG 21 far 0 83 0 - 7.9-9.2 HZ PHE 52 - HA ARG 56 far 0 87 0 - 9.9-11.6 Violated in 3 structures by 0.01 A. Peak 4674 from cnoeabs.peaks (6.95, 4.08, 59.51 ppm; 3.68 A): 1 out of 4 assignments used, quality = 0.99: HZ PHE 23 + HA ARG 56 OK 99 100 100 100 2.0-3.5 4640=87, 2.2/4673=58...(11) HE3 TRP 51 - HA ARG 56 far 0 87 0 - 7.5-8.4 HE21 GLN 53 - HA ARG 56 far 0 85 0 - 8.7-11.4 HE3 TRP 51 - HA ARG 21 far 0 77 0 - 9.0-9.8 Violated in 0 structures by 0.00 A. Peak 4675 from cnoeabs.peaks (7.15, 2.20, 30.34 ppm; 4.70 A): 2 out of 4 assignments used, quality = 0.81: QE PHE 23 + HG2 ARG 56 OK 76 76 100 100 2.0-4.6 4646/1.8=74, 4643=69...(14) QD TYR 28 + HG2 ARG 56 OK 21 73 35 82 4.6-7.8 ~4668=34, ~4215=20...(8) QD TYR 57 - HG2 ARG 56 far 15 99 15 - 5.2-8.4 HZ PHE 52 - HG2 ARG 56 far 0 65 0 - 8.0-11.8 Violated in 0 structures by 0.00 A. Peak 4676 from cnoeabs.peaks (7.15, 1.45, 30.34 ppm; 4.32 A): 1 out of 5 assignments used, quality = 0.76: QE PHE 23 + HG3 ARG 56 OK 76 76 100 100 2.0-3.6 2.2/4649=80, 4646=74...(12) QD TYR 28 - HG3 ARG 56 poor 19 73 35 74 3.8-7.8 ~4668=28, 2.2/4671=23...(7) QD TYR 57 - HG3 ARG 56 far 0 99 0 - 5.9-8.5 HZ PHE 52 - HG3 ARG 56 far 0 65 0 - 8.7-11.1 HD1 TRP 51 - HG3 ARG 56 far 0 97 0 - 9.7-12.9 Violated in 0 structures by 0.00 A. Peak 4677 from cnoeabs.peaks (6.96, 1.45, 30.34 ppm; 4.79 A): 1 out of 3 assignments used, quality = 0.93: HZ PHE 23 + HG3 ARG 56 OK 93 93 100 100 1.9-5.0 2.2/4646=98, 4649=89...(11) HE3 TRP 51 - HG3 ARG 56 far 0 98 0 - 6.5-8.8 HE21 GLN 53 - HG3 ARG 56 far 0 63 0 - 7.0-10.8 Violated in 1 structures by 0.01 A. Peak 4678 from cnoeabs.peaks (4.26, 4.11, 57.48 ppm; 4.44 A): 2 out of 5 assignments used, quality = 0.95: HA THR 59 + HA LYS 58 OK 93 100 100 93 4.5-5.4 3.0/302=56, ~301=36...(8) HB THR 59 + HA LYS 58 OK 36 83 70 62 4.8-6.5 4.0/302=44, ~4682=18 HA LYS 60 - HA LYS 58 far 10 100 10 - 5.6-8.2 HA ARG 61 - HA LYS 58 far 0 85 0 - 6.7-11.0 HA LYS 62 - HA LYS 58 far 0 100 0 - 7.2-13.2 Violated in 18 structures by 0.08 A. Peak 4679 from cnoeabs.peaks (3.12, 4.11, 57.48 ppm; 5.22 A): 1 out of 3 assignments used, quality = 0.71: HB2 TYR 57 + HA LYS 58 OK 71 71 100 100 4.4-4.8 2.5/4710=87, ~298=64...(6) HD2 ARG 61 - HA LYS 58 far 4 78 5 - 4.0-12.8 HD3 ARG 61 - HA LYS 58 far 4 78 5 - 5.0-13.6 Violated in 0 structures by 0.00 A. Peak 4681 from cnoeabs.peaks (1.77, 4.26, 62.83 ppm; 4.56 A): 1 out of 2 assignments used, quality = 0.51: HB3 LYS 60 + HA THR 59 OK 51 97 80 66 4.6-6.2 ~4881=31, 3.8/312=26...(10) HB3 LYS 62 - HA THR 59 far 10 99 10 - 4.6-12.2 Violated in 20 structures by 0.92 A. Peak 4682 from cnoeabs.peaks (1.74, 1.28, 21.70 ppm; 4.04 A): 2 out of 5 assignments used, quality = 0.54: HB2 ARG 56 + QG2 THR 59 OK 37 68 65 84 3.5-7.8 3.0/4838=52...(5) HB3 LYS 58 + QG2 THR 59 OK 28 84 55 60 3.1-6.1 4.6/797=41, ~4678=17...(4) HB3 ARG 61 - QG2 THR 59 poor 16 79 20 - 4.4-9.5 HD2 LYS 42 - QG2 THR 44 far 0 81 0 - 7.9-9.2 HB3 LEU 37 - QG2 THR 44 far 0 98 0 - 8.8-10.3 Violated in 13 structures by 0.47 A. Peak 4686 from cnoeabs.peaks (3.14, 1.81, 30.54 ppm; 3.99 A): 2 out of 4 assignments used, quality = 1.00: HD3 ARG 61 + HB2 ARG 61 OK 100 100 100 100 2.1-4.2 3.5=100 HD2 ARG 61 + HB2 ARG 61 OK 100 100 100 100 2.1-3.9 3.5=100 HB2 PHE 23 - HB2 ARG 61 far 0 93 0 - 7.1-18.1 HB3 TYR 57 - HB2 ARG 61 far 0 68 0 - 8.3-16.4 Violated in 0 structures by 0.00 A. Peak 4687 from cnoeabs.peaks (3.90, 3.14, 43.26 ppm; 4.24 A): 0 out of 2 assignments used, quality = 0.00: HA LYS 27 - HD3 ARG 61 far 0 100 0 - 6.6-17.3 HA LYS 27 - HD2 ARG 61 far 0 100 0 - 7.7-17.6 Violated in 20 structures by 7.44 A. Peak 4688 from cnoeabs.peaks (3.58, 3.14, 43.26 ppm; 4.05 A): 0 out of 0 assignments used, quality = 0.00: Peak 4691 from cnoeabs.peaks (2.38, 3.14, 43.26 ppm; 4.14 A): 0 out of 6 assignments used, quality = 0.00: HG3 GLN 63 - HD3 ARG 61 far 4 87 5 - 5.1-12.4 HG3 GLN 63 - HD2 ARG 61 far 0 87 0 - 6.1-12.3 HD2 ARG 55 - HD2 ARG 61 far 0 60 0 - 6.8-18.9 HG2 GLN 63 - HD3 ARG 61 far 0 83 0 - 6.8-13.4 HD2 ARG 55 - HD3 ARG 61 far 0 60 0 - 7.0-19.1 HG2 GLN 63 - HD2 ARG 61 far 0 83 0 - 7.1-12.1 Violated in 20 structures by 3.27 A. Peak 4692 from cnoeabs.peaks (9.12, 4.26, 56.50 ppm; 5.04 A): 0 out of 0 assignments used, quality = 0.00: Peak 4693 from cnoeabs.peaks (1.67, 2.08, 29.35 ppm; 4.35 A): 1 out of 5 assignments used, quality = 0.29: HB2 LEU 64 + HB2 GLN 63 OK 29 97 35 86 3.9-7.7 1.8/4694=72, 836/4.6=30...(5) HD3 LYS 62 - HB2 GLN 63 poor 20 100 20 - 4.1-9.8 HD2 LYS 60 - HB2 GLN 63 far 15 100 15 - 2.6-14.7 HD3 LYS 60 - HB2 GLN 63 far 15 100 15 - 4.1-14.4 HD2 LYS 62 - HB2 GLN 63 lone 1 100 25 4 4.7-8.8 836/4.6=2 Violated in 18 structures by 1.69 A. Peak 4694 from cnoeabs.peaks (1.59, 2.08, 29.35 ppm; 4.57 A): 1 out of 4 assignments used, quality = 0.23: HB3 LEU 64 + HB2 GLN 63 OK 23 73 35 89 4.3-7.7 1.8/4693=81, 3.8/3626=29...(5) HG2 ARG 61 - HB2 GLN 63 far 0 100 0 - 6.3-11.1 HG3 ARG 61 - HB2 GLN 63 far 0 100 0 - 6.5-11.8 HG3 ARG 21 - HB2 GLN 63 far 0 97 0 - 7.7-29.1 Violated in 18 structures by 1.71 A. 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): 3 out of 6 assignments used, quality = 0.96: HB3 LEU 43 + HG3 MET 11 OK 80 89 90 100 4.4-7.4 3.1/4724=83, 3.1/4725=68...(11) HB3 GLN 15 + HG3 MET 11 OK 71 95 75 100 3.9-7.3 4711/3.0=80, 4714/3.0=69...(14) HB2 LEU 41 + HG3 MET 11 OK 30 100 40 76 4.0-8.1 4820/4725=30...(7) HB2 LEU 68 - HG3 MET 11 far 0 90 0 - 7.0-38.8 HG LEU 68 - HG3 MET 11 far 0 100 0 - 7.4-37.8 HB3 LEU 68 - HG3 MET 11 far 0 97 0 - 7.6-37.9 Violated in 6 structures by 0.13 A. Peak 4703 from cnoeabs.peaks (0.65, -0.28, 24.60 ppm; 3.78 A): 1 out of 2 assignments used, quality = 1.00: QD1 LEU 43 + QD1 LEU 19 OK 100 100 100 100 2.3-3.5 4479=94, 4478/2.1=72...(8) HB2 ARG 55 - QD1 LEU 19 far 0 100 0 - 6.4-7.7 Violated in 0 structures by 0.00 A. Peak 4704 from cnoeabs.peaks (1.96, -0.28, 24.60 ppm; 3.99 A): 1 out of 5 assignments used, quality = 0.80: HD3 ARG 55 + QD1 LEU 19 OK 80 92 95 92 4.6-5.6 4677/4679=42...(12) HB ILE 50 - QD1 LEU 19 far 0 83 0 - 6.3-7.2 HD3 LYS 22 - QD1 LEU 19 far 0 100 0 - 7.2-9.9 HB2 ARG 21 - QD1 LEU 19 far 0 97 0 - 7.2-7.9 HB3 ARG 21 - QD1 LEU 19 far 0 95 0 - 8.5-9.3 Violated in 20 structures by 1.01 A. Peak 4705 from cnoeabs.peaks (0.71, 7.13, 119.60 ppm; 4.89 A): 1 out of 3 assignments used, quality = 0.95: QD1 ILE 17 + HD2 HIS 13 OK 95 95 100 100 2.0-3.5 4082=96, 2.1/4621=74...(7) QD1 LEU 41 - HD2 HIS 13 far 0 94 0 - 7.7-10.2 HB2 LEU 19 - HD2 HIS 13 far 0 98 0 - 8.6-11.7 Violated in 0 structures by 0.00 A. Peak 4706 from cnoeabs.peaks (6.98, 3.11, 30.63 ppm; 4.69 A): 0 out of 1 assignment used, quality = 0.00: HE3 TRP 51 - HB3 HIS 10 far 0 99 0 - 9.9-16.0 Violated in 20 structures by 8.08 A. Peak 4707 from cnoeabs.peaks (1.89, 3.19, 30.63 ppm; 4.66 A): 2 out of 5 assignments used, quality = 0.87: HB2 GLU 33 + HB2 HIS 36 OK 79 98 100 80 4.6-5.9 3.0/3735=45, ~3735=28...(5) HB2 GLU 33 + HB3 HIS 36 OK 39 98 50 80 5.0-7.2 3.0/3735=41, ~3733=31...(5) HG LEU 41 - HB3 HIS 36 far 0 71 0 - 7.5-9.0 HG LEU 41 - HB2 HIS 36 far 0 71 0 - 8.0-10.4 HB2 LYS 42 - HB2 HIS 10 far 0 84 0 - 9.7-16.0 Violated in 16 structures by 0.21 A. Peak 4708 from cnoeabs.peaks (1.69, 3.19, 30.63 ppm; 4.54 A): 6 out of 13 assignments used, quality = 1.00: HD3 LYS 39 + HB3 HIS 36 OK 83 100 95 87 4.1-7.0 ~4368=36, 4367/3.0=35...(8) HD3 LYS 39 + HB2 HIS 36 OK 83 100 95 87 4.4-6.6 ~4368=36, 4367/3.0=35...(8) HB2 LEU 37 + HB2 HIS 36 OK 39 60 95 68 4.5-6.3 4.0/153=36, 4.4/4400=21...(5) HB2 LEU 37 + HB3 HIS 36 OK 38 60 95 67 4.0-6.1 4.0/153=35, 4.4/4400=21...(5) HD2 LYS 39 + HB3 HIS 36 OK 35 100 40 87 5.2-7.8 ~4368=36, 4367/3.0=35...(8) HD2 LYS 39 + HB2 HIS 36 OK 31 100 35 87 4.9-7.6 ~4368=36, 4367/3.0=35...(8) HG2 LYS 22 - HB3 HIS 36 poor 16 81 20 - 5.3-8.0 HG2 LYS 22 - HB2 HIS 36 far 8 81 10 - 5.5-7.9 HG3 LYS 22 - HB3 HIS 36 lone 2 92 25 7 5.4-7.7 640/4.6=4, 1939/3736=1 HG3 LYS 22 - HB2 HIS 36 lone 1 92 25 6 5.4-8.8 640/4.6=4 HD3 LYS 62 - HB2 HIS 10 far 0 55 0 - 6.2-29.9 HD2 LYS 62 - HB2 HIS 10 far 0 57 0 - 7.2-29.9 HG13 ILE 50 - HB2 HIS 10 far 0 84 0 - 8.2-15.3 Violated in 0 structures by 0.00 A. Peak 4709 from cnoeabs.peaks (1.50, 3.19, 30.63 ppm; 4.43 A): 2 out of 3 assignments used, quality = 0.99: QB ALA 35 + HB2 HIS 36 OK 93 98 100 94 3.8-4.3 149/4.0=69, 632/4353=49...(5) QB ALA 35 + HB3 HIS 36 OK 91 98 100 93 4.8-5.3 149/4.0=69, 4359=38...(5) HG LEU 43 - HB2 HIS 10 far 0 55 0 - 6.5-11.6 Violated in 0 structures by 0.00 A. Peak 4710 from cnoeabs.peaks (4.06, 7.05, 119.84 ppm; 5.29 A): 1 out of 4 assignments used, quality = 0.74: HA GLU 33 + HD2 HIS 36 OK 74 91 100 82 3.1-6.6 985/5.9=50, 3733/4.0=41 HA LEU 37 - HD2 HIS 36 poor 13 98 45 29 4.5-7.4 3736/4.0=16, 3736/4.0=14 HA LYS 39 - HD2 HIS 36 far 0 72 0 - 7.4-10.5 HB THR 14 - HD2 HIS 10 far 0 41 0 - 9.7-16.0 Violated in 14 structures by 0.46 A. Peak 4711 from cnoeabs.peaks (1.62, 2.00, 34.98 ppm; 4.27 A): 1 out of 6 assignments used, quality = 0.86: HB3 GLN 15 + HB2 MET 11 OK 86 96 90 99 2.0-5.9 4714/1.8=61, 3.0/4822=60...(13) HB2 LEU 41 - HB2 MET 11 far 5 100 5 - 5.2-8.5 HB3 LEU 43 - HB2 MET 11 far 0 87 0 - 6.9-8.1 HB2 LEU 68 - HB2 MET 11 far 0 92 0 - 7.3-37.9 HG LEU 68 - HB2 MET 11 far 0 99 0 - 7.9-36.8 HB3 LEU 68 - HB2 MET 11 far 0 97 0 - 8.4-37.1 Violated in 10 structures by 0.33 A. Peak 4712 from cnoeabs.peaks (1.01, 2.00, 34.98 ppm; 3.66 A): 1 out of 3 assignments used, quality = 0.96: QG2 VAL 16 + HB2 MET 11 OK 96 100 100 96 2.5-4.1 4715/1.8=74, 4718/3.0=44...(8) QG1 VAL 16 - HB2 MET 11 far 8 85 10 - 5.1-6.3 QG1 VAL 48 - HB2 MET 11 far 0 89 0 - 7.5-10.0 Violated in 12 structures by 0.10 A. Peak 4713 from cnoeabs.peaks (0.86, 2.00, 34.98 ppm; 5.08 A): 1 out of 4 assignments used, quality = 1.00: QD2 LEU 43 + HB2 MET 11 OK 100 100 100 100 3.8-5.0 4719/3.0=90, 4724/3.0=84...(12) QD1 LEU 68 - HB2 MET 11 far 5 100 5 - 5.1-29.5 QD2 LEU 68 - HB2 MET 11 far 0 100 0 - 7.6-30.6 QD2 LEU 64 - HB2 MET 11 far 0 99 0 - 8.9-28.9 Violated in 0 structures by 0.00 A. Peak 4714 from cnoeabs.peaks (1.63, 1.83, 34.98 ppm; 4.90 A): 1 out of 7 assignments used, quality = 0.89: HB3 GLN 15 + HB3 MET 11 OK 89 99 90 100 2.2-6.6 4711/1.8=91, 3.0/4823=82...(13) HB2 LEU 41 - HB3 MET 11 far 10 98 10 - 5.9-9.2 HB2 LEU 68 - HB3 MET 11 far 5 97 5 - 5.6-37.8 HG LEU 68 - HB3 MET 11 far 5 97 5 - 6.3-36.6 HB3 LEU 43 - HB3 MET 11 far 0 76 0 - 6.6-8.7 HB3 LEU 68 - HB3 MET 11 far 0 100 0 - 6.7-36.9 HB3 LEU 64 - HB3 MET 11 far 0 98 0 - 9.3-36.4 Violated in 9 structures by 0.50 A. Peak 4715 from cnoeabs.peaks (1.01, 1.83, 34.98 ppm; 3.65 A): 1 out of 3 assignments used, quality = 0.94: QG2 VAL 16 + HB3 MET 11 OK 94 100 95 99 2.7-5.3 4065=79, 4712/1.8=73...(8) QG1 VAL 16 - HB3 MET 11 far 4 85 5 - 5.1-7.0 QG1 VAL 48 - HB3 MET 11 far 0 89 0 - 8.1-10.5 Violated in 6 structures by 0.21 A. Peak 4716 from cnoeabs.peaks (0.86, 1.83, 34.98 ppm; 5.22 A): 1 out of 4 assignments used, quality = 0.98: QD2 LEU 43 + HB3 MET 11 OK 98 98 100 100 3.4-5.7 4719/3.0=85, 4713/1.8=82...(14) QD1 LEU 68 - HB3 MET 11 far 5 100 5 - 3.9-28.8 QD2 LEU 68 - HB3 MET 11 far 5 100 5 - 6.5-29.5 QD2 LEU 64 - HB3 MET 11 far 0 92 0 - 8.4-30.2 Violated in 4 structures by 0.05 A. Peak 4717 from cnoeabs.peaks (1.63, 2.39, 32.80 ppm; 4.66 A): 3 out of 6 assignments used, quality = 0.93: HB3 GLN 15 + HG2 MET 11 OK 79 100 80 99 3.6-8.1 4711/3.0=68, 4714/3.0=60...(11) HB3 LEU 43 + HG2 MET 11 OK 52 65 80 100 4.7-6.9 3.1/4719=80, 3.1/4720=60...(12) HB2 LEU 41 + HG2 MET 11 OK 30 95 55 58 5.0-8.7 4820/4720=24, ~4443=21...(6) HB2 LEU 68 - HG2 MET 11 far 0 99 0 - 7.2-37.0 HB3 LEU 68 - HG2 MET 11 far 0 100 0 - 7.8-36.2 HG LEU 68 - HG2 MET 11 far 0 92 0 - 8.2-37.2 Violated in 9 structures by 0.32 A. Peak 4718 from cnoeabs.peaks (1.02, 2.39, 32.80 ppm; 4.37 A): 1 out of 3 assignments used, quality = 0.99: QG2 VAL 16 + HG2 MET 11 OK 99 100 100 99 4.0-5.8 4723/1.8=75, 4715/3.0=75...(6) QG1 VAL 16 - HG2 MET 11 far 0 92 0 - 6.3-8.0 QG1 VAL 48 - HG2 MET 11 far 0 81 0 - 6.7-10.4 Violated in 12 structures by 0.46 A. Peak 4719 from cnoeabs.peaks (0.85, 2.39, 32.80 ppm; 3.63 A): 1 out of 4 assignments used, quality = 0.99: QD2 LEU 43 + HG2 MET 11 OK 99 100 100 99 2.2-3.9 4724/1.8=65, 4492=51...(16) QD1 LEU 68 - HG2 MET 11 far 5 98 5 - 5.0-29.9 QD2 LEU 68 - HG2 MET 11 far 0 99 0 - 7.4-31.1 QD2 LEU 64 - HG2 MET 11 far 0 100 0 - 9.8-29.4 Violated in 3 structures by 0.01 A. Peak 4720 from cnoeabs.peaks (0.65, 2.39, 32.80 ppm; 4.87 A): 1 out of 1 assignment used, quality = 1.00: QD1 LEU 43 + HG2 MET 11 OK 100 100 100 100 1.9-4.0 2.1/4719=97, 4725/1.8=79...(14) Violated in 0 structures by 0.00 A. Peak 4721 from cnoeabs.peaks (1.97, 2.48, 32.80 ppm; 3.49 A): 1 out of 4 assignments used, quality = 0.78: HB2 MET 11 + HG3 MET 11 OK 78 78 100 100 2.3-3.0 3.0=100 HB2 GLU 18 - HG3 MET 11 far 0 81 0 - 7.3-10.1 HD3 ARG 55 - HG3 MET 11 far 0 100 0 - 7.8-11.7 HB3 GLU 18 - HG3 MET 11 far 0 81 0 - 8.8-11.7 Violated in 0 structures by 0.00 A. Peak 4722 from cnoeabs.peaks (1.83, 2.48, 32.80 ppm; 3.65 A): 2 out of 3 assignments used, quality = 1.00: HB3 MET 11 + HG3 MET 11 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 GLN 47 + HG3 MET 11 OK 26 100 35 75 4.1-6.7 4550/4724=38...(6) HB ILE 17 - HG3 MET 11 far 0 99 0 - 9.7-12.2 Violated in 0 structures by 0.00 A. Peak 4723 from cnoeabs.peaks (1.01, 2.48, 32.80 ppm; 4.45 A): 1 out of 3 assignments used, quality = 0.99: QG2 VAL 16 + HG3 MET 11 OK 99 100 100 99 3.7-5.9 4718/1.8=79, 4715/3.0=77...(6) QG1 VAL 16 - HG3 MET 11 far 0 85 0 - 6.2-8.1 QG1 VAL 48 - HG3 MET 11 far 0 89 0 - 7.1-9.8 Violated in 15 structures by 0.69 A. Peak 4724 from cnoeabs.peaks (0.85, 2.48, 32.80 ppm; 3.93 A): 1 out of 4 assignments used, quality = 0.99: QD2 LEU 43 + HG3 MET 11 OK 99 100 100 100 2.0-4.1 4719/1.8=82, 2.1/4725=48...(16) QD1 LEU 68 - HG3 MET 11 far 5 96 5 - 4.4-29.7 QD2 LEU 68 - HG3 MET 11 far 0 98 0 - 6.7-30.3 QD2 LEU 64 - HG3 MET 11 far 0 100 0 - 9.8-29.4 Violated in 2 structures by 0.01 A. Peak 4725 from cnoeabs.peaks (0.65, 2.48, 32.80 ppm; 4.93 A): 1 out of 1 assignment used, quality = 1.00: QD1 LEU 43 + HG3 MET 11 OK 100 100 100 100 1.9-5.2 2.1/4724=94, 4720/1.8=81...(17) Violated in 1 structures by 0.01 A. Peak 4726 from cnoeabs.peaks (2.49, 2.00, 34.98 ppm; 3.62 A): 3 out of 5 assignments used, quality = 1.00: HG3 MET 11 + HB2 MET 11 OK 99 99 100 100 2.3-3.0 3.0=100 HB2 GLN 15 + HB2 MET 11 OK 84 95 90 99 3.1-5.6 1.8/4711=55, 3.0/4822=45...(20) HG3 GLN 15 + HB2 MET 11 OK 79 99 80 100 2.1-6.6 4822=80, 4823/1.8=63...(23) HG2 GLU 20 - HB2 MET 11 far 0 63 0 - 8.2-11.3 HB2 ASN 54 - HB2 MET 11 far 0 90 0 - 9.9-13.6 Violated in 0 structures by 0.00 A. Peak 4727 from cnoeabs.peaks (2.50, 1.83, 34.98 ppm; 3.67 A): 3 out of 3 assignments used, quality = 1.00: HG3 MET 11 + HB3 MET 11 OK 92 92 100 100 2.2-3.0 3.0=100 HB2 GLN 15 + HB3 MET 11 OK 78 100 80 98 2.8-6.4 3.0/4823=51, 1.8/4714=41...(19) HG3 GLN 15 + HB3 MET 11 OK 74 93 80 99 2.9-5.9 4823=71, 4822/1.8=57...(23) Violated in 0 structures by 0.00 A. Peak 4728 from cnoeabs.peaks (4.67, 2.48, 32.80 ppm; 3.76 A): 1 out of 3 assignments used, quality = 0.95: HA MET 11 + HG3 MET 11 OK 95 96 100 99 2.2-3.8 3.8=93, 1100/1.8=71...(5) HA HIS 10 - HG3 MET 11 poor 7 90 30 27 3.7-7.3 3.6/5=26 HA THR 44 - HG3 MET 11 far 0 87 0 - 8.9-11.5 Violated in 1 structures by 0.00 A. Peak 4729 from cnoeabs.peaks (7.83, 2.00, 34.98 ppm; 4.98 A): 1 out of 1 assignment used, quality = 0.99: H VAL 16 + HB2 MET 11 OK 99 99 100 100 3.1-5.6 1194/4712=85, 22/4711=62...(8) Violated in 3 structures by 0.05 A. Peak 4730 from cnoeabs.peaks (6.92, 2.39, 32.80 ppm; 5.16 A): 1 out of 2 assignments used, quality = 0.92: HE21 GLN 47 + HG2 MET 11 OK 92 93 100 99 3.4-6.2 1.7/4733=76...(6) HD22 ASN 54 - HG2 MET 11 far 0 92 0 - 8.1-12.6 Violated in 4 structures by 0.15 A. Peak 4731 from cnoeabs.peaks (8.24, 2.48, 32.80 ppm; 4.97 A): 1 out of 2 assignments used, quality = 0.97: H MET 11 + HG3 MET 11 OK 97 97 100 100 2.0-4.3 4.8=100 H TRP 51 - HG3 MET 11 far 0 83 0 - 7.1-9.5 Violated in 0 structures by 0.00 A. Peak 4732 from cnoeabs.peaks (7.68, 2.48, 32.80 ppm; 5.26 A): 1 out of 2 assignments used, quality = 0.92: HE22 GLN 47 + HG3 MET 11 OK 92 96 100 96 3.6-6.7 4559/4724=69, ~4730=65...(6) H VAL 48 - HG3 MET 11 far 10 100 10 - 6.5-9.1 Violated in 5 structures by 0.23 A. Peak 4733 from cnoeabs.peaks (7.65, 2.39, 32.80 ppm; 5.38 A): 1 out of 1 assignment used, quality = 0.85: HE22 GLN 47 + HG2 MET 11 OK 85 87 100 98 3.1-6.5 1.7/4730=86...(6) Violated in 5 structures by 0.18 A. Peak 4734 from cnoeabs.peaks (8.24, 2.39, 32.80 ppm; 4.84 A): 1 out of 2 assignments used, quality = 0.97: H MET 11 + HG2 MET 11 OK 97 97 100 100 2.0-4.6 4.8=100 H TRP 51 - HG2 MET 11 far 0 83 0 - 6.6-9.7 Violated in 0 structures by 0.00 A. Peak 4735 from cnoeabs.peaks (9.37, 2.39, 32.80 ppm; 5.08 A): 1 out of 1 assignment used, quality = 0.93: H SER 12 + HG2 MET 11 OK 93 93 100 100 3.7-5.0 3.6/1100=83, 4737=80...(6) Violated in 0 structures by 0.00 A. Peak 4736 from cnoeabs.peaks (9.37, 2.48, 32.80 ppm; 5.32 A): 1 out of 1 assignment used, quality = 0.97: H SER 12 + HG3 MET 11 OK 97 97 100 100 3.9-5.1 4735/1.8=86, 8/3.0=84...(8) Violated in 0 structures by 0.00 A. Peak 4740 from cnoeabs.peaks (2.50, 3.95, 65.53 ppm; 4.97 A): 2 out of 3 assignments used, quality = 0.99: HB2 GLN 15 + HB3 SER 12 OK 96 99 100 97 2.2-5.5 4013/3.9=62, ~3657=52...(8) HG3 GLN 15 + HB3 SER 12 OK 87 97 95 94 2.1-6.8 4015/3.9=55...(7) HG3 MET 11 - HB3 SER 12 poor 20 96 35 60 5.6-8.5 4736/3.9=49, ~1793=12 Violated in 0 structures by 0.00 A. Peak 4741 from cnoeabs.peaks (7.92, 4.37, 65.53 ppm; 4.30 A): 1 out of 2 assignments used, quality = 0.91: H THR 14 + HB2 SER 12 OK 91 100 100 91 2.7-5.1 4743/1.8=60, 11=48...(8) H LYS 42 - HB2 SER 12 far 0 95 0 - 8.7-10.7 Violated in 6 structures by 0.15 A. Peak 4743 from cnoeabs.peaks (7.91, 3.95, 65.53 ppm; 4.96 A): 1 out of 2 assignments used, quality = 0.97: H THR 14 + HB3 SER 12 OK 97 100 100 97 2.6-5.2 4741/1.8=92, 866/4803=50...(5) H LYS 42 - HB3 SER 12 far 0 98 0 - 9.4-11.6 Violated in 7 structures by 0.04 A. Peak 4744 from cnoeabs.peaks (1.02, 4.38, 59.74 ppm; 3.58 A): 2 out of 2 assignments used, quality = 0.99: QG2 VAL 16 + HA HIS 13 OK 92 99 95 97 4.1-5.2 2.1/3662=69, 4050=63...(7) QG1 VAL 16 + HA HIS 13 OK 89 93 100 96 3.2-4.4 2.1/3662=69, 2.1/4050=51...(7) Violated in 5 structures by 0.04 A. Peak 4745 from cnoeabs.peaks (7.12, 1.21, 21.82 ppm; 4.93 A): 1 out of 1 assignment used, quality = 0.99: HD2 HIS 13 + QG2 THR 14 OK 99 100 100 99 3.8-4.9 4622=98, 4624/4079=60 Violated in 1 structures by 0.00 A. Peak 4746 from cnoeabs.peaks (7.53, 3.15, 39.32 ppm; 4.88 A): 1 out of 3 assignments used, quality = 1.00: QE PHE 52 + HB2 PHE 23 OK 100 100 100 100 3.0-4.5 4630/2.4=96, 4703/2.9=83...(10) HE21 GLN 63 - HB2 PHE 23 far 0 100 0 - 6.7-24.2 H GLU 18 - HB2 PHE 23 far 0 85 0 - 8.6-10.1 Violated in 0 structures by 0.00 A. Peak 4747 from cnoeabs.peaks (7.54, 3.08, 39.32 ppm; 5.30 A): 1 out of 4 assignments used, quality = 0.99: QE PHE 52 + HB3 PHE 23 OK 99 99 100 100 2.8-5.3 4630/2.4=99, 4746/1.8=89...(10) HE21 GLN 63 - HB3 PHE 23 far 0 100 0 - 7.7-24.7 H GLU 18 - HB3 PHE 23 far 0 92 0 - 8.9-10.1 H TYR 57 - HB3 PHE 23 far 0 65 0 - 9.1-10.4 Violated in 0 structures by 0.00 A. Peak 4749 from cnoeabs.peaks (0.52, 3.50, 29.17 ppm; 5.37 A): 1 out of 1 assignment used, quality = 0.87: QD2 LEU 19 + HB2 TRP 51 OK 87 87 100 100 2.4-3.4 4114=80, 4579/3790=68...(14) Violated in 0 structures by 0.00 A. Peak 4750 from cnoeabs.peaks (-0.28, 3.50, 29.17 ppm; 4.81 A): 3 out of 3 assignments used, quality = 1.00: QD1 LEU 19 + HB2 TRP 51 OK 99 100 100 99 3.3-4.2 2.1/4114=75...(11) HG2 ARG 55 + HB2 TRP 51 OK 80 100 95 85 4.2-6.3 3.0/4612=26, 4751/1.8=23...(11) HB3 ARG 55 + HB2 TRP 51 OK 26 100 40 65 4.9-7.1 3.7/4612=23, 4680/4.2=14...(9) Violated in 0 structures by 0.00 A. Peak 4751 from cnoeabs.peaks (-0.28, 3.29, 29.17 ppm; 4.89 A): 2 out of 3 assignments used, quality = 1.00: QD1 LEU 19 + HB3 TRP 51 OK 99 100 100 99 3.0-3.9 ~4114=58, 4679/4574=57...(11) HG2 ARG 55 + HB3 TRP 51 OK 51 100 60 85 4.7-7.2 4750/1.8=32...(10) HB3 ARG 55 - HB3 TRP 51 poor 19 100 35 54 5.6-8.0 ~4750=19, 4680/4.2=15...(7) Violated in 0 structures by 0.00 A. Peak 4752 from cnoeabs.peaks (-0.29, 7.14, 127.21 ppm; 5.27 A): 3 out of 3 assignments used, quality = 1.00: HG2 ARG 55 + HD1 TRP 51 OK 99 99 100 100 4.1-6.6 3.0/4677=94, ~4619=54...(9) QD1 LEU 19 + HD1 TRP 51 OK 98 98 100 100 2.6-3.6 4827=96, 4704/4677=82...(11) HB3 ARG 55 + HD1 TRP 51 OK 32 97 35 95 5.4-8.1 3.7/4677=88, ~4753=26...(7) Violated in 0 structures by 0.00 A. Peak 4756 from cnoeabs.peaks (0.71, 7.25, 114.23 ppm; 5.42 A): 2 out of 3 assignments used, quality = 0.96: HB2 LEU 19 + HZ2 TRP 51 OK 95 98 100 96 2.8-4.2 4.4/4125=61...(8) QD1 LEU 41 + HZ2 TRP 51 OK 31 94 55 60 5.8-7.9 3679/4727=29...(4) QD1 ILE 17 - HZ2 TRP 51 far 14 95 15 - 5.9-8.2 Violated in 0 structures by 0.00 A. Peak 4757 from cnoeabs.peaks (-0.28, 7.25, 114.23 ppm; 5.26 A): 3 out of 3 assignments used, quality = 1.00: QD1 LEU 19 + HZ2 TRP 51 OK 98 98 100 100 3.2-4.2 3.1/4694=71...(13) HG2 ARG 55 + HZ2 TRP 51 OK 97 98 100 99 3.2-5.0 3.0/4689=82, ~4619=51...(13) HB3 ARG 55 + HZ2 TRP 51 OK 89 97 100 91 4.8-6.4 3.7/4689=74, ~4753=24...(8) Violated in 0 structures by 0.00 A. Peak 4759 from cnoeabs.peaks (2.42, 3.43, 56.09 ppm; 3.70 A): 1 out of 3 assignments used, quality = 0.88: HD2 ARG 55 + HA ARG 55 OK 88 95 100 93 1.9-3.8 2722=65, 1.8/2688=57...(6) HG2 GLN 53 - HA ARG 55 far 0 87 0 - 6.9-8.8 HG3 GLU 20 - HA ARG 55 far 0 100 0 - 7.9-10.2 Violated in 2 structures by 0.01 A. Peak 4760 from cnoeabs.peaks (0.67, -0.44, 23.54 ppm; 5.61 A): 1 out of 2 assignments used, quality = 0.89: HB2 ARG 55 + HG3 ARG 55 OK 89 89 100 100 2.3-3.0 3.0=100 QD1 LEU 43 - HG3 ARG 55 far 0 96 0 - 7.5-11.2 Violated in 0 structures by 0.00 A. Peak 4763 from cnoeabs.peaks (0.99, 3.69, 64.32 ppm; 4.65 A): 1 out of 3 assignments used, quality = 0.68: QG2 VAL 16 + HA ILE 17 OK 68 68 100 100 4.8-5.2 2.1/4051=76, ~29=54...(15) QD1 LEU 37 - HA ILE 17 far 0 71 0 - 7.1-8.7 QG1 VAL 48 - HA ILE 17 far 0 97 0 - 9.4-10.7 Violated in 20 structures by 0.22 A. Peak 4764 from cnoeabs.peaks (1.02, 2.41, 35.25 ppm; 4.24 A): 2 out of 8 assignments used, quality = 0.84: QG1 VAL 16 + HG3 GLU 20 OK 62 62 100 100 2.6-3.9 4058=97, 4059/1.8=54...(12) QG2 VAL 16 + HG3 GLU 20 OK 58 61 100 97 3.5-5.6 2.1/4058=80, ~4059=36...(10) QG1 VAL 16 - HG3 GLU 18 far 0 98 0 - 5.9-7.5 QG2 VAL 16 - HG3 GLU 18 far 0 97 0 - 6.9-8.2 QG1 VAL 48 - HG3 GLN 47 far 0 32 0 - 7.1-7.6 QG1 VAL 48 - HG3 GLU 18 far 0 65 0 - 8.1-10.5 QG1 VAL 48 - HG3 GLU 20 far 0 36 0 - 8.1-9.6 QG2 VAL 16 - HG3 GLN 47 far 0 54 0 - 9.0-10.6 Violated in 0 structures by 0.00 A. Peak 4765 from cnoeabs.peaks (0.71, 1.01, 23.28 ppm; 5.78 A): 5 out of 5 assignments used, quality = 1.00: HB2 LEU 19 + QG2 VAL 16 OK 100 100 100 100 3.4-5.3 3680/3.2=87, 1.8/4767=66...(20) QD1 ILE 17 + QG2 VAL 16 OK 97 98 100 99 4.4-6.2 1239/4.3=78...(7) QD1 LEU 41 + QG2 VAL 16 OK 90 97 100 93 4.2-6.1 3679/3.2=43...(10) HB2 LEU 19 + QG1 VAL 48 OK 51 51 100 100 4.2-6.8 3.1/4825=56, ~4579=50...(15) QD1 LEU 41 + QG1 VAL 48 OK 45 47 100 97 3.5-7.0 4816/4825=50, ~4459=38...(16) Violated in 0 structures by 0.00 A. Peak 4766 from cnoeabs.peaks (-0.28, 1.01, 23.28 ppm; 4.23 A): 3 out of 6 assignments used, quality = 1.00: QD1 LEU 19 + QG2 VAL 16 OK 100 100 100 100 2.2-2.9 4769/3.2=66, 4768/2.1=63...(23) HG2 ARG 55 + QG2 VAL 16 OK 52 99 60 88 4.9-6.8 3.0/4064=53, ~4060=37...(9) QD1 LEU 19 + QG1 VAL 48 OK 49 51 100 97 4.1-5.4 2.1/4825=51, 4580/3.2=45...(15) HB3 ARG 55 - QG2 VAL 16 far 0 100 0 - 6.7-8.3 HG2 ARG 55 - QG1 VAL 48 far 0 49 0 - 6.8-8.0 HB3 ARG 55 - QG1 VAL 48 far 0 51 0 - 7.0-8.9 Violated in 0 structures by 0.00 A. Peak 4767 from cnoeabs.peaks (-0.74, 1.01, 23.28 ppm; 5.00 A): 2 out of 2 assignments used, quality = 0.97: HB3 LEU 19 + QG2 VAL 16 OK 94 95 100 100 3.2-5.2 3681/3.2=54, ~3680=51...(18) HB3 LEU 19 + QG1 VAL 48 OK 41 44 95 98 4.3-6.6 3.1/4825=52, ~4579=37...(15) Violated in 0 structures by 0.00 A. Peak 4768 from cnoeabs.peaks (-0.28, 1.03, 21.88 ppm; 4.66 A): 1 out of 3 assignments used, quality = 1.00: QD1 LEU 19 + QG1 VAL 16 OK 100 100 100 100 3.3-4.4 4769/3.2=76...(21) HG2 ARG 55 - QG1 VAL 16 far 15 99 15 - 6.1-7.3 HB3 ARG 55 - QG1 VAL 16 far 0 100 0 - 7.0-9.0 Violated in 0 structures by 0.00 A. Peak 4769 from cnoeabs.peaks (-0.28, 3.23, 67.30 ppm; 3.78 A): 1 out of 3 assignments used, quality = 0.99: QD1 LEU 19 + HA VAL 16 OK 99 100 100 99 1.9-2.6 4119=68, 3.1/3680=43...(17) HG2 ARG 55 - HA VAL 16 far 0 100 0 - 6.6-8.4 HB3 ARG 55 - HA VAL 16 far 0 100 0 - 8.6-10.6 Violated in 0 structures by 0.00 A. Peak 4770 from cnoeabs.peaks (0.94, 2.00, 29.57 ppm; 5.04 A): 4 out of 6 assignments used, quality = 0.99: QD1 LEU 37 + HB2 GLU 18 OK 79 85 100 93 2.9-5.4 4805/3.0=63, 4791=38...(7) QD1 LEU 37 + HB3 GLU 18 OK 79 85 100 93 1.9-5.3 4805/3.0=63, 4791=37...(7) QD2 LEU 37 + HB2 GLU 18 OK 57 68 100 84 3.7-6.5 ~4805=45, 2.1/4791=44...(5) QD2 LEU 37 + HB3 GLU 18 OK 57 68 100 84 3.2-5.8 ~4805=45, 2.1/4791=43...(5) QG2 VAL 48 - HB3 GLU 18 poor 20 99 20 - 6.1-7.7 QG2 VAL 48 - HB2 GLU 18 poor 15 99 55 28 6.1-7.7 4459/4451=14...(3) Violated in 0 structures by 0.00 A. Peak 4771 from cnoeabs.peaks (1.97, 0.53, 23.51 ppm; 5.07 A): 2 out of 6 assignments used, quality = 0.96: HD3 ARG 55 + QD2 LEU 19 OK 93 99 95 99 5.0-6.8 4704/2.1=91...(10) HD3 LYS 22 + QD2 LEU 19 OK 38 100 65 59 5.2-7.6 4160/4381=34...(4) HB ILE 50 - QD2 LEU 19 poor 16 60 45 59 6.2-6.9 4569/4579=42...(3) HB2 ARG 21 - QD2 LEU 19 far 15 100 15 - 6.4-7.3 HB3 ARG 21 - QD2 LEU 19 far 0 100 0 - 7.5-8.6 HB2 ARG 34 - QD2 LEU 19 far 0 65 0 - 7.6-8.7 Violated in 16 structures by 0.33 A. Peak 4772 from cnoeabs.peaks (1.99, 1.24, 25.70 ppm; 5.25 A): 2 out of 6 assignments used, quality = 0.98: HB2 GLU 18 + HG LEU 19 OK 88 100 100 88 3.2-4.1 4.3/536=80, 4457/1299=16...(5) HB3 GLU 18 + HG LEU 19 OK 87 100 100 87 4.2-5.4 4.3/536=80, 4457/1299=16...(5) HB2 MET 11 - HG LEU 19 lone 5 100 90 5 5.3-7.2 4457/1299=3 HB2 ARG 21 - HG LEU 19 far 0 63 0 - 6.8-7.6 HD3 ARG 55 - HG LEU 19 far 0 76 0 - 7.4-8.4 HB3 ARG 21 - HG LEU 19 far 0 71 0 - 8.3-9.3 Violated in 0 structures by 0.00 A. Peak 4773 from cnoeabs.peaks (6.44, 2.42, 35.40 ppm; 5.22 A): 1 out of 2 assignments used, quality = 1.00: HH2 TRP 51 + HG3 GLU 20 OK 100 100 100 100 2.0-4.2 4691/1.8=99, 2.5/4133=85...(9) HH2 TRP 51 - HG3 GLU 18 far 0 66 0 - 9.1-10.6 Violated in 0 structures by 0.00 A. Peak 4774 from cnoeabs.peaks (6.45, 2.46, 35.40 ppm; 5.51 A): 1 out of 1 assignment used, quality = 0.98: HH2 TRP 51 + HG2 GLU 20 OK 98 98 100 100 1.9-4.7 2.5/4688=97, 4691=94...(9) Violated in 0 structures by 0.00 A. Peak 4775 from cnoeabs.peaks (5.71, 4.22, 59.07 ppm; 4.83 A): 1 out of 1 assignment used, quality = 0.97: HZ3 TRP 51 + HA GLU 20 OK 97 97 100 100 2.6-3.2 2.4/4685=98...(8) Violated in 0 structures by 0.00 A. Peak 4776 from cnoeabs.peaks (0.17, 2.38, 30.62 ppm; 5.30 A): 1 out of 1 assignment used, quality = 0.78: QD1 LEU 29 + HB3 LYS 22 OK 78 78 100 100 2.0-4.5 ~4155=60, ~4153=59...(14) Violated in 0 structures by 0.00 A. Peak 4777 from cnoeabs.peaks (0.94, 2.80, 42.08 ppm; 4.10 A): 2 out of 3 assignments used, quality = 0.93: QD2 LEU 37 + HE2 LYS 22 OK 78 78 100 100 2.0-4.7 4779/1.8=67, 4156/3.0=54...(22) QD1 LEU 37 + HE2 LYS 22 OK 68 76 90 100 2.4-6.6 ~4779=46, ~4780=44...(20) QG2 VAL 48 - HE2 LYS 22 far 0 96 0 - 6.1-9.1 Violated in 4 structures by 0.04 A. Peak 4778 from cnoeabs.peaks (0.45, 2.80, 42.08 ppm; 3.76 A): 1 out of 1 assignment used, quality = 0.99: QD2 LEU 29 + HE2 LYS 22 OK 99 99 100 99 1.9-4.1 4244=76, 4811/1.8=63...(11) Violated in 6 structures by 0.06 A. Peak 4779 from cnoeabs.peaks (0.93, 2.95, 42.08 ppm; 4.39 A): 1 out of 2 assignments used, quality = 0.93: QD2 LEU 37 + HE3 LYS 22 OK 93 93 100 100 2.0-4.8 4156/3.0=63, 4152/3.7=57...(22) QG2 VAL 48 - HE3 LYS 22 far 0 83 0 - 6.6-9.1 Violated in 6 structures by 0.05 A. Peak 4780 from cnoeabs.peaks (0.93, 2.94, 42.08 ppm; 4.58 A): 1 out of 2 assignments used, quality = 0.76: QD2 LEU 37 + HE3 LYS 22 OK 76 76 100 100 2.0-4.8 4156/3.0=68, 4152/3.7=61...(22) QG2 VAL 48 - HE3 LYS 22 far 0 66 0 - 6.6-9.1 Violated in 2 structures by 0.01 A. Peak 4781 from cnoeabs.peaks (7.52, 2.02, 31.80 ppm; 4.44 A): 3 out of 8 assignments used, quality = 0.99: H TYR 28 + HB3 GLN 26 OK 88 92 100 96 2.2-5.7 4213/3.0=54, 879/4.7=52...(8) H TYR 28 + HB2 GLN 26 OK 88 92 100 96 2.7-4.3 4213/3.0=54, 879/4.7=52...(8) QE PHE 52 + HB2 GLN 26 OK 26 97 55 49 4.9-6.7 4724/4193=23, ~4859=20...(4) QE PHE 52 - HB3 GLN 26 poor 12 97 25 49 4.8-6.8 4724/4193=23, ~4859=20...(4) H TYR 28 - HB3 ARG 56 far 3 61 5 - 5.6-10.7 HE22 GLN 53 - HB3 ARG 56 far 3 59 5 - 5.4-10.4 QE PHE 52 - HB3 ARG 56 far 0 66 0 - 7.0-9.5 HE21 GLN 63 - HB3 ARG 56 far 0 62 0 - 8.8-21.3 Violated in 0 structures by 0.00 A. Peak 4782 from cnoeabs.peaks (7.51, 2.29, 34.10 ppm; 4.07 A): 4 out of 4 assignments used, quality = 1.00: H TYR 28 + HG3 GLN 26 OK 96 100 100 96 2.2-5.2 879/4.9=43, 4213/3.9=43...(9) H TYR 28 + HG2 GLN 26 OK 95 100 100 96 3.6-5.5 879/4.9=43, 4213/3.9=43...(9) QE PHE 52 + HG2 GLN 26 OK 33 76 75 59 3.5-7.6 2.2/4859=28...(7) QE PHE 52 + HG3 GLN 26 OK 33 76 75 58 3.8-7.6 ~4859=21, 2.2/4859=20...(7) Violated in 0 structures by 0.00 A. Peak 4783 from cnoeabs.peaks (3.34, 2.29, 34.10 ppm; 5.30 A): 0 out of 0 assignments used, quality = 0.00: Peak 4784 from cnoeabs.peaks (4.58, 1.88, 30.88 ppm; 4.84 A): 2 out of 2 assignments used, quality = 1.00: HA LEU 29 + HB2 GLU 33 OK 100 100 100 100 3.2-4.4 3438/4260=79...(12) HA SER 30 + HB2 GLU 33 OK 65 68 95 100 4.2-7.1 3.0/4260=81, ~4302=56...(13) Violated in 0 structures by 0.00 A. Peak 4786 from cnoeabs.peaks (4.58, 2.32, 30.88 ppm; 5.10 A): 2 out of 4 assignments used, quality = 1.00: HA LEU 29 + HB3 GLU 33 OK 99 99 100 100 2.9-4.1 3438/4302=79...(12) HA SER 30 + HB3 GLU 33 OK 78 78 100 100 4.0-6.0 3.0/4302=84, ~4260=64...(18) HA SER 30 - HB3 PRO 32 far 0 69 0 - 7.4-8.6 HA LEU 29 - HB3 PRO 32 far 0 91 0 - 8.3-9.8 Violated in 0 structures by 0.00 A. Peak 4787 from cnoeabs.peaks (4.21, 2.32, 30.88 ppm; 5.25 A): 4 out of 4 assignments used, quality = 1.00: HA ALA 31 + HB3 PRO 32 OK 92 92 100 100 6.0-6.5 ~4274=72, ~4290=70...(17) HA ALA 31 + HB3 GLU 33 OK 86 99 90 96 5.4-7.5 3720/4.6=60, 3719/4.0=49...(9) HB3 SER 30 + HB3 GLU 33 OK 84 85 100 99 2.1-4.7 4.0/4302=74, 1.8/4263=32...(16) HB3 SER 30 + HB3 PRO 32 OK 71 75 95 100 4.8-6.8 4265/3.0=71, ~4291=67...(13) Violated in 0 structures by 0.00 A. Peak 4788 from cnoeabs.peaks (1.45, 4.32, 59.41 ppm; 4.61 A): 1 out of 3 assignments used, quality = 0.85: HG2 LYS 39 + HA HIS 36 OK 85 85 100 100 4.1-5.3 1.8/4368=92, 2.9/3754=51...(15) HB3 LEU 41 - HA HIS 36 far 0 78 0 - 8.5-10.3 HB3 LEU 29 - HA HIS 36 far 0 96 0 - 9.3-10.4 Violated in 2 structures by 0.05 A. Peak 4789 from cnoeabs.peaks (2.99, 4.32, 59.41 ppm; 5.12 A): 2 out of 4 assignments used, quality = 1.00: HE2 LYS 39 + HA HIS 36 OK 99 99 100 100 2.6-4.2 3.6/4368=78, 3.6/4788=69...(13) HE3 LYS 39 + HA HIS 36 OK 99 99 100 100 3.6-5.5 3.6/4368=78, 3.6/4788=69...(13) HE2 LYS 42 - HA HIS 36 far 0 57 0 - 8.5-12.2 HE3 LYS 42 - HA HIS 36 far 0 57 0 - 8.8-11.6 Violated in 0 structures by 0.00 A. Peak 4790 from cnoeabs.peaks (1.86, 0.96, 24.23 ppm; 3.50 A): 1 out of 8 assignments used, quality = 0.97: HG LEU 41 + QD1 LEU 37 OK 97 99 100 98 1.9-2.9 2.1/4377=61, ~4894=36...(17) HG2 ARG 21 - QD1 LEU 37 far 0 100 0 - 5.4-9.0 HB3 ARG 34 - QD1 LEU 37 far 0 100 0 - 6.0-7.7 HB2 GLU 33 - QD1 LEU 37 far 0 76 0 - 6.3-7.9 HB ILE 17 - QD1 LEU 37 far 0 78 0 - 6.5-9.0 HB3 MET 11 - QD1 LEU 37 far 0 71 0 - 7.3-9.9 HB3 LYS 49 - QD1 LEU 37 far 0 81 0 - 7.4-10.9 HB2 LYS 42 - QD1 LEU 37 far 0 57 0 - 8.1-9.7 Violated in 0 structures by 0.00 A. Peak 4791 from cnoeabs.peaks (2.00, 0.96, 24.23 ppm; 4.34 A): 2 out of 5 assignments used, quality = 0.95: HB2 GLU 18 + QD1 LEU 37 OK 77 98 100 79 2.9-5.4 3.0/4805=46...(9) HB3 GLU 18 + QD1 LEU 37 OK 77 98 100 79 1.9-5.3 3.0/4805=46...(9) HB2 MET 11 - QD1 LEU 37 far 0 99 0 - 6.9-9.6 HB2 GLN 26 - QD1 LEU 37 far 0 87 0 - 8.7-11.1 HB3 GLN 26 - QD1 LEU 37 far 0 87 0 - 9.0-10.6 Violated in 3 structures by 0.02 A. Peak 4792 from cnoeabs.peaks (7.74, 1.00, 23.57 ppm; 3.65 A): 1 out of 4 assignments used, quality = 0.96: QD PHE 52 + QG1 VAL 48 OK 96 97 100 98 2.5-3.1 4704=82, 2.2/4731=65...(9) QD PHE 52 - QG2 VAL 16 far 0 47 0 - 6.9-7.7 H ARG 56 - QG1 VAL 48 far 0 97 0 - 8.1-9.2 H ARG 56 - QG2 VAL 16 far 0 47 0 - 8.7-10.2 Violated in 0 structures by 0.00 A. Peak 4793 from cnoeabs.peaks (5.74, 3.76, 63.31 ppm; 5.00 A): 1 out of 1 assignment used, quality = 0.70: HZ3 TRP 51 + HA PHE 52 OK 70 71 100 98 3.2-4.0 2.5/4675=87...(7) Violated in 0 structures by 0.00 A. Peak 4794 from cnoeabs.peaks (6.97, 3.76, 63.31 ppm; 3.72 A): 1 out of 2 assignments used, quality = 0.98: HE3 TRP 51 + HA PHE 52 OK 98 100 100 98 2.2-2.8 4675=70, 254/2.9=47...(14) HZ PHE 23 - HA PHE 52 poor 13 78 30 57 3.9-6.0 3.8/4795=35, 2.2/4796=19...(4) Violated in 0 structures by 0.00 A. Peak 4795 from cnoeabs.peaks (7.05, 3.76, 63.31 ppm; 4.68 A): 1 out of 2 assignments used, quality = 0.96: QD PHE 23 + HA PHE 52 OK 96 98 100 98 2.3-3.7 4698/3.7=60...(11) HD2 HIS 10 - HA PHE 52 far 0 89 0 - 8.9-18.8 Violated in 0 structures by 0.00 A. Peak 4796 from cnoeabs.peaks (7.18, 3.76, 63.31 ppm; 5.08 A): 2 out of 2 assignments used, quality = 1.00: QE PHE 23 + HA PHE 52 OK 98 100 100 99 2.1-4.2 2.2/4795=84...(10) HZ PHE 52 + HA PHE 52 OK 94 100 100 94 5.8-5.8 2.2/4797=62, ~4758=48...(6) Violated in 0 structures by 0.00 A. Peak 4797 from cnoeabs.peaks (7.54, 3.76, 63.31 ppm; 5.25 A): 1 out of 3 assignments used, quality = 0.99: QE PHE 52 + HA PHE 52 OK 99 99 100 100 4.4-4.6 5.6=81, 4630/4795=71...(11) H TYR 57 - HA PHE 52 poor 17 63 70 39 5.9-7.1 4.6/2598=32, 4634/4796=9 HE21 GLN 63 - HA PHE 52 far 0 100 0 - 8.2-23.3 Violated in 0 structures by 0.00 A. Peak 4800 from cnoeabs.peaks (4.78, 4.06, 68.82 ppm; 3.90 A): 1 out of 1 assignment used, quality = 0.69: HB THR 44 + HB THR 46 OK 69 100 100 70 2.7-4.2 4799/700=68, 2.1/4841=5 Violated in 10 structures by 0.09 A. 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 90 100 100 2.2-4.1 4.4=100 Violated in 0 structures by 0.00 A. Peak 4802 from cnoeabs.peaks (2.49, 4.66, 55.35 ppm; 3.82 A): 3 out of 3 assignments used, quality = 1.00: HG3 MET 11 + HA MET 11 OK 100 100 100 100 2.2-3.8 3.8=98, 1.8/1100=81...(5) HG3 GLN 15 + HA MET 11 OK 62 100 65 95 3.8-6.6 4823/3.0=55, 4822/3.0=52...(11) HB2 GLN 15 + HA MET 11 OK 51 87 65 90 3.7-6.6 ~4711=33, 4013/3.6=33...(11) Violated in 0 structures by 0.00 A. Peak 4803 from cnoeabs.peaks (7.51, 3.95, 65.53 ppm; 5.63 A): 1 out of 1 assignment used, quality = 0.98: H GLN 15 + HB3 SER 12 OK 98 99 100 98 2.2-4.3 866/4743=74, 4012/3.9=71...(6) Violated in 0 structures by 0.00 A. Peak 4804 from cnoeabs.peaks (2.50, 4.37, 65.53 ppm; 5.08 A): 3 out of 3 assignments used, quality = 1.00: HB2 GLN 15 + HB2 SER 12 OK 98 100 100 98 1.9-5.0 4013/3.9=66, ~3657=55...(13) HG3 GLN 15 + HB2 SER 12 OK 82 87 100 95 2.0-5.3 4015/3.9=49, ~3657=42...(11) HG3 MET 11 + HB2 SER 12 OK 21 85 45 55 4.1-7.5 4736/3.9=43, 3.0/1793=9...(4) Violated in 0 structures by 0.00 A. Peak 4805 from cnoeabs.peaks (0.95, 2.28, 35.25 ppm; 5.15 A): 1 out of 2 assignments used, quality = 0.82: QD1 LEU 37 + HG2 GLU 18 OK 82 97 95 89 3.7-6.9 4791/3.0=38, 4791/3.0=38...(8) QG2 VAL 48 - HG2 GLU 18 far 0 100 0 - 7.6-9.1 Violated in 6 structures by 0.33 A. Peak 4806 from cnoeabs.peaks (0.81, 1.86, 27.31 ppm; 4.63 A): 1 out of 1 assignment used, quality = 1.00: QG2 ILE 17 + HG2 ARG 21 OK 100 100 100 100 2.1-4.9 4808/1.8=72, 4137/2.9=68...(14) Violated in 3 structures by 0.02 A. Peak 4807 from cnoeabs.peaks (0.81, 1.86, 27.31 ppm; 4.63 A): 1 out of 1 assignment used, quality = 1.00: QG2 ILE 17 + HG2 ARG 21 OK 100 100 100 100 2.1-4.9 4808/1.8=72, 4137/2.9=68...(14) Violated in 3 structures by 0.02 A. Peak 4808 from cnoeabs.peaks (0.82, 1.60, 27.31 ppm; 4.84 A): 1 out of 3 assignments used, quality = 0.97: QG2 ILE 17 + HG3 ARG 21 OK 97 97 100 100 2.7-5.3 4806/1.8=82, 4137/2.9=70...(10) QG2 ILE 17 - HG3 ARG 61 far 0 89 0 - 7.1-21.6 QG2 ILE 17 - HG2 ARG 61 far 0 91 0 - 8.2-20.9 Violated in 4 structures by 0.04 A. Peak 4809 from cnoeabs.peaks (0.81, 1.97, 30.19 ppm; 4.50 A): 2 out of 3 assignments used, quality = 1.00: QG2 ILE 17 + HB2 ARG 21 OK 99 100 100 99 4.0-5.1 4807/3.0=62, 4137/3.5=58...(9) QG2 ILE 17 + HB3 ARG 21 OK 99 100 100 99 4.7-6.0 4807/3.0=62, 4137/3.5=58...(9) QD1 ILE 50 - HB3 GLU 67 far 0 68 0 - 8.0-26.1 Violated in 6 structures by 0.03 A. Peak 4810 from cnoeabs.peaks (0.14, 1.68, 24.77 ppm; 5.05 A): 1 out of 1 assignment used, quality = 1.00: QD1 LEU 29 + HG3 LYS 22 OK 100 100 100 100 1.9-4.8 2.1/4155=92, ~4153=68...(15) Violated in 0 structures by 0.00 A. Peak 4811 from cnoeabs.peaks (0.45, 2.95, 42.08 ppm; 4.18 A): 1 out of 1 assignment used, quality = 0.99: QD2 LEU 29 + HE3 LYS 22 OK 99 99 100 100 2.0-4.4 4243=90, 4778/1.8=86...(10) Violated in 5 structures by 0.04 A. Peak 4812 from cnoeabs.peaks (3.66, 1.59, 28.15 ppm; 5.18 A): 2 out of 3 assignments used, quality = 0.96: HA GLU 45 + HG3 ARG 34 OK 90 90 100 100 3.2-5.7 3.9/4519=62, 4520=56...(16) HA VAL 48 + HG3 ARG 34 OK 60 60 100 100 4.9-6.3 3.2/4329=85, ~4331=55...(19) HA LEU 19 - HG3 ARG 34 far 0 87 0 - 7.2-9.2 Violated in 0 structures by 0.00 A. Peak 4813 from cnoeabs.peaks (3.65, 1.34, 28.15 ppm; 4.88 A): 2 out of 4 assignments used, quality = 0.98: HA GLU 45 + HG2 ARG 34 OK 95 96 100 100 2.1-4.2 3773/4339=52...(17) HA VAL 48 + HG2 ARG 34 OK 64 71 90 100 5.5-6.7 3.2/4331=70, 3.0/4339=68...(16) HA LEU 19 - HG2 ARG 34 far 0 93 0 - 8.2-10.1 HA LEU 19 - HD3 LYS 27 far 0 47 0 - 9.5-12.2 Violated in 0 structures by 0.00 A. Peak 4814 from cnoeabs.peaks (1.82, 0.92, 27.31 ppm; 5.04 A): 1 out of 5 assignments used, quality = 1.00: HD2 LYS 22 + QD2 LEU 37 OK 100 100 100 100 2.0-3.9 4156=90, 4815/2.1=85...(35) HB3 GLN 47 - QD2 LEU 37 far 0 99 0 - 7.2-10.5 HB ILE 17 - QD2 LEU 37 far 0 87 0 - 7.5-9.9 HB2 PRO 32 - QD2 LEU 37 far 0 73 0 - 8.0-11.0 HB3 MET 11 - QD2 LEU 37 far 0 92 0 - 8.0-12.1 Violated in 0 structures by 0.00 A. Peak 4815 from cnoeabs.peaks (1.83, 0.96, 24.23 ppm; 3.83 A): 1 out of 6 assignments used, quality = 0.75: HD2 LYS 22 + QD1 LEU 37 OK 75 93 80 100 2.6-6.1 4156/2.1=51, 3.0/4383=43...(37) HG2 ARG 21 - QD1 LEU 37 far 0 68 0 - 5.4-9.0 HB3 GLN 47 - QD1 LEU 37 far 0 99 0 - 6.0-9.6 HB3 ARG 34 - QD1 LEU 37 far 0 68 0 - 6.0-7.7 HB ILE 17 - QD1 LEU 37 far 0 100 0 - 6.5-9.0 HB3 MET 11 - QD1 LEU 37 far 0 100 0 - 7.3-9.9 Violated in 10 structures by 0.56 A. Peak 4816 from cnoeabs.peaks (0.53, 0.72, 26.10 ppm; 3.63 A): 1 out of 1 assignment used, quality = 0.97: QD2 LEU 19 + QD1 LEU 41 OK 97 98 100 99 1.8-3.8 1306=45, 4818/2.1=42...(17) Violated in 1 structures by 0.01 A. Peak 4817 from cnoeabs.peaks (-0.28, 0.72, 26.10 ppm; 4.81 A): 1 out of 3 assignments used, quality = 1.00: QD1 LEU 19 + QD1 LEU 41 OK 100 100 100 100 2.1-3.9 2.1/4816=96, 538/4438=54...(16) HG2 ARG 55 - QD1 LEU 41 far 0 100 0 - 7.8-10.3 HB3 ARG 55 - QD1 LEU 41 far 0 100 0 - 8.7-11.7 Violated in 0 structures by 0.00 A. Peak 4818 from cnoeabs.peaks (0.52, 0.75, 22.71 ppm; 4.78 A): 1 out of 1 assignment used, quality = 0.94: QD2 LEU 19 + QD2 LEU 41 OK 94 95 100 100 3.9-4.7 4816/2.1=95, ~4817=53...(10) Violated in 0 structures by 0.00 A. Peak 4819 from cnoeabs.peaks (0.67, 1.43, 42.54 ppm; 3.57 A): 1 out of 1 assignment used, quality = 0.92: QD1 LEU 43 + HB3 LEU 41 OK 92 93 100 99 2.0-2.8 4820/1.8=70, 2.1/4464=41...(20) Violated in 0 structures by 0.00 A. Peak 4820 from cnoeabs.peaks (0.68, 1.62, 42.54 ppm; 3.59 A): 1 out of 9 assignments used, quality = 0.77: QD1 LEU 43 + HB2 LEU 41 OK 77 78 100 99 1.9-3.1 4819/1.8=71, ~4464=31...(15) QD1 ILE 17 - HB3 LEU 64 far 3 69 5 - 4.9-28.8 QD1 ILE 17 - HB3 LEU 68 far 0 50 0 - 7.0-29.5 QD1 ILE 17 - HB2 LEU 68 far 0 37 0 - 7.4-29.9 QD1 LEU 43 - HB2 LEU 68 far 0 38 0 - 7.7-30.9 QD1 LEU 43 - HB3 LEU 68 far 0 52 0 - 7.7-30.3 HB2 ARG 55 - HB3 LEU 64 far 0 59 0 - 7.9-22.9 HB2 ARG 55 - HB3 LEU 68 far 0 43 0 - 9.2-26.3 QD1 ILE 17 - HB2 LEU 41 far 0 76 0 - 9.4-11.1 Violated in 0 structures by 0.00 A. Peak 4821 from cnoeabs.peaks (8.14, 0.86, 23.20 ppm; 4.76 A): 2 out of 8 assignments used, quality = 1.00: H LEU 68 + QD1 LEU 68 OK 100 100 100 100 2.0-4.5 4.7=100 H LEU 68 + QD2 LEU 68 OK 99 99 100 100 1.9-4.8 4.7=100 H LYS 27 - QD2 LEU 64 far 0 66 0 - 6.7-23.2 H LYS 27 - QD2 LEU 68 far 0 85 0 - 7.0-24.7 H LYS 27 - QD1 LEU 68 far 0 87 0 - 7.1-26.5 H LEU 68 - QD2 LEU 64 far 0 82 0 - 7.4-12.1 H SER 24 - QD2 LEU 64 far 0 77 0 - 8.3-23.3 H SER 24 - QD2 LEU 68 far 0 95 0 - 8.8-23.3 Violated in 0 structures by 0.00 A. Peak 4822 from cnoeabs.peaks (2.01, 2.48, 35.21 ppm; 3.58 A): 1 out of 3 assignments used, quality = 0.77: HB2 MET 11 + HG3 GLN 15 OK 77 97 80 98 2.1-6.6 1.8/4823=62, 4711/3.0=42...(23) HB2 GLU 18 - HG3 GLN 15 poor 14 97 25 59 3.9-7.2 3674/1177=20...(9) HB3 GLU 18 - HG3 GLN 15 far 0 97 0 - 5.3-8.9 Violated in 10 structures by 0.53 A. Peak 4823 from cnoeabs.peaks (1.84, 2.48, 35.21 ppm; 3.96 A): 1 out of 5 assignments used, quality = 0.84: HB3 MET 11 + HG3 GLN 15 OK 84 100 85 99 2.9-5.9 1.8/4822=71, 4714/3.0=43...(24) HG LEU 41 - HG3 GLN 15 poor 16 63 25 - 3.5-8.0 HB ILE 17 - HG3 GLN 15 far 0 100 0 - 6.7-7.7 HB3 GLN 47 - HG3 GLN 15 far 0 95 0 - 7.5-10.7 HG2 ARG 21 - HG3 GLN 15 far 0 83 0 - 9.0-14.3 Violated in 11 structures by 0.47 A. Peak 4824 from cnoeabs.peaks (3.24, -0.76, 37.72 ppm; 6.00 A): 2 out of 4 assignments used, quality = 0.89: HA VAL 16 + HB3 LEU 19 OK 85 85 100 100 2.5-4.9 4119/3.1=90, 3681=77...(15) HB2 PHE 52 + HB3 LEU 19 OK 26 57 50 91 6.2-9.5 ~4098=65, ~4113=54...(4) HD3 ARG 21 - HB3 LEU 19 far 10 97 10 - 7.3-10.0 HD3 ARG 34 - HB3 LEU 19 far 0 71 0 - 8.7-13.2 Violated in 0 structures by 0.00 A. Peak 4825 from cnoeabs.peaks (1.00, 0.53, 23.51 ppm; 3.32 A): 2 out of 2 assignments used, quality = 0.98: QG1 VAL 48 + QD2 LEU 19 OK 95 100 100 95 2.2-3.4 4731/4099=40...(17) QG2 VAL 16 + QD2 LEU 19 OK 64 97 70 94 4.5-5.1 ~4768=25, ~4769=22...(20) Violated in 1 structures by 0.00 A. Peak 4826 from cnoeabs.peaks (0.15, 0.53, 23.51 ppm; 4.48 A): 1 out of 1 assignment used, quality = 0.99: QD1 LEU 29 + QD2 LEU 19 OK 99 100 100 99 4.0-4.8 4379/4378=62...(8) Violated in 6 structures by 0.03 A. Peak 4827 from cnoeabs.peaks (7.15, -0.28, 24.60 ppm; 5.31 A): 1 out of 4 assignments used, quality = 0.99: HD1 TRP 51 + QD1 LEU 19 OK 99 99 100 100 2.6-3.6 4677/4704=86, 4679=71...(11) QE PHE 23 - QD1 LEU 19 far 0 65 0 - 7.3-8.5 HD2 HIS 13 - QD1 LEU 19 far 0 68 0 - 7.5-9.4 QD TYR 28 - QD1 LEU 19 far 0 83 0 - 9.9-12.5 Violated in 0 structures by 0.00 A. Peak 4829 from cnoeabs.peaks (9.01, 1.94, 29.95 ppm; 5.00 A): 1 out of 1 assignment used, quality = 0.58: H SER 30 + HB2 ARG 34 OK 58 63 100 92 4.9-6.4 4828/624=67, 4.4/4324=59...(4) Violated in 19 structures by 0.83 A. Peak 4830 from cnoeabs.peaks (7.79, 4.34, 54.54 ppm; 5.19 A): 1 out of 1 assignment used, quality = 0.98: HE21 GLN 15 + HA LEU 41 OK 98 98 100 100 2.8-6.4 4435/3.0=75...(14) Violated in 2 structures by 0.07 A. Peak 4831 from cnoeabs.peaks (2.41, 1.83, 29.96 ppm; 3.50 A): 1 out of 4 assignments used, quality = 1.00: HG3 GLN 47 + HB3 GLN 47 OK 100 100 100 100 2.4-2.8 3.0=100 HG2 MET 11 - HB3 GLN 47 poor 20 78 25 - 4.2-6.7 HG2 GLU 45 - HB3 GLN 47 far 0 97 0 - 8.2-9.3 HD2 ARG 55 - HB3 GLN 47 far 0 100 0 - 9.6-12.3 Violated in 0 structures by 0.00 A. 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 99 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.9-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 4834 from cnoeabs.peaks (0.84, 2.55, 35.63 ppm; 5.38 A): 1 out of 3 assignments used, quality = 0.89: QD2 LEU 43 + HG2 GLN 47 OK 89 89 100 100 3.4-5.0 4548/2347=76...(19) QD1 LEU 68 - HG2 GLN 47 far 0 73 0 - 8.7-30.5 QD2 LEU 68 - HG2 GLN 47 far 0 81 0 - 9.7-31.1 Violated in 0 structures by 0.00 A. Peak 4835 from cnoeabs.peaks (7.18, 0.65, 28.41 ppm; 5.73 A): 1 out of 2 assignments used, quality = 1.00: QE PHE 23 + HB2 ARG 55 OK 100 100 100 100 2.0-5.2 2.2/4650=72, 4653=56...(10) HZ PHE 52 - HB2 ARG 55 far 0 100 0 - 7.7-9.1 Violated in 0 structures by 0.00 A. Peak 4836 from cnoeabs.peaks (7.26, 1.97, 40.78 ppm; 5.51 A): 1 out of 1 assignment used, quality = 0.99: HZ2 TRP 51 + HD3 ARG 55 OK 99 99 100 100 2.7-4.8 4630=98, 2.8/4619=81...(13) Violated in 0 structures by 0.00 A. Peak 4837 from cnoeabs.peaks (8.92, 1.97, 40.78 ppm; 5.40 A): 1 out of 1 assignment used, quality = 0.41: H PHE 52 + HD3 ARG 55 OK 41 93 90 48 4.9-7.0 ~3820=24, 3.6/4611=20 Violated in 13 structures by 0.69 A. Peak 4838 from cnoeabs.peaks (1.29, 4.08, 59.51 ppm; 4.23 A): 1 out of 2 assignments used, quality = 0.96: QG2 THR 59 + HA ARG 56 OK 96 100 100 96 1.9-5.6 4841=60, 2.1/4840=47...(8) QG2 THR 59 - HA ARG 21 far 0 93 0 - 9.5-14.7 Violated in 5 structures by 0.29 A. Peak 4839 from cnoeabs.peaks (3.42, 1.54, 29.10 ppm; 5.18 A): 2 out of 2 assignments used, quality = 0.95: HA ARG 55 + HD3 LYS 58 OK 77 99 80 98 3.0-8.5 3841/3.5=70, 3839/3.5=67...(5) HA ARG 55 + HD2 LYS 58 OK 77 99 80 98 3.5-8.1 3841/3.5=70, 3839/3.5=67...(5) Violated in 8 structures by 0.40 A. Peak 4840 from cnoeabs.peaks (4.06, 4.28, 69.66 ppm; 4.64 A): 1 out of 2 assignments used, quality = 0.63: HA ARG 56 + HB THR 59 OK 63 83 95 80 2.1-6.2 4838/2.1=62, ~4682=27...(4) HA SER 24 - HB THR 59 far 0 87 0 - 8.4-12.9 Violated in 11 structures by 0.50 A. Peak 4841 from cnoeabs.peaks (4.09, 1.29, 21.73 ppm; 4.05 A): 3 out of 7 assignments used, quality = 0.96: HA ARG 56 + QG2 THR 59 OK 92 99 95 97 1.9-5.6 4838=87, 4640/4504=36...(8) HA LYS 58 + QG2 THR 59 OK 38 81 60 79 3.3-5.9 3.6/797=58, 4678/2916=27...(4) HB THR 46 + QG2 THR 44 OK 21 53 100 39 3.9-4.2 4800/2.1=39 HA LYS 39 - QG2 THR 44 far 0 88 0 - 5.9-7.5 HA SER 24 - QG2 THR 59 far 0 98 0 - 6.6-11.9 HA ARG 21 - QG2 THR 59 far 0 90 0 - 9.5-14.7 HA LEU 37 - QG2 THR 44 far 0 53 0 - 9.7-11.2 Violated in 0 structures by 0.00 A. 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 97 100 100 2.5-4.4 4.1=100 Violated in 0 structures by 0.00 A. Peak 4844 from cnoeabs.peaks (2.98, 1.77, 32.70 ppm; 5.22 A): 4 out of 8 assignments used, quality = 1.00: HE2 LYS 62 + HB3 LYS 62 OK 100 100 100 100 2.6-4.8 4.6=100 HE2 LYS 60 + HB3 LYS 60 OK 99 99 100 100 2.0-5.1 4.9=100 HE3 LYS 60 + HB3 LYS 60 OK 99 99 100 100 2.3-4.9 4.9=100 HE3 LYS 62 + HB3 LYS 62 OK 99 99 100 100 2.0-5.2 4.6=100 HE2 LYS 62 - HB3 LYS 60 far 15 99 15 - 3.2-11.2 HE2 LYS 60 - HB3 LYS 62 far 10 100 10 - 4.1-12.4 HE3 LYS 60 - HB3 LYS 62 far 10 100 10 - 3.7-12.7 HE3 LYS 62 - HB3 LYS 60 lone 2 97 25 10 3.9-11.6 7.4/3091=8 Violated in 0 structures by 0.00 A. Peak 4845 from cnoeabs.peaks (1.83, 0.85, 24.31 ppm; 4.00 A): 2 out of 3 assignments used, quality = 1.00: HB3 GLN 47 + QD2 LEU 43 OK 100 100 100 100 2.1-4.0 4550=89, 1.8/4548=59...(20) HB3 MET 11 + QD2 LEU 43 OK 89 99 90 99 3.4-5.7 3.0/4719=66, 3.0/4724=60...(14) HB ILE 17 - QD2 LEU 43 far 0 98 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 4846 from cnoeabs.peaks (2.50, 0.85, 24.31 ppm; 3.80 A): 3 out of 3 assignments used, quality = 0.98: HG3 MET 11 + QD2 LEU 43 OK 94 95 100 100 2.0-4.1 4724=82, 1.8/4719=79...(16) HG3 GLN 15 + QD2 LEU 43 OK 48 96 50 100 4.0-5.8 3.5/4041=56, 3.5/4034=51...(19) HB2 GLN 15 + QD2 LEU 43 OK 42 99 45 95 4.0-6.8 4021/2.1=41, 4.6/4041=40...(11) Violated in 0 structures by 0.00 A. Peak 4847 from cnoeabs.peaks (4.68, 0.85, 24.31 ppm; 4.14 A): 2 out of 3 assignments used, quality = 0.82: HA MET 11 + QD2 LEU 43 OK 72 76 100 95 2.8-4.7 3.8/4719=57, 3.8/4724=52...(8) HA THR 44 + QD2 LEU 43 OK 35 60 60 97 5.3-5.8 2.9/3511=64, ~204=34...(8) HA HIS 10 - QD2 LEU 43 poor 20 100 20 - 4.8-8.4 Violated in 12 structures by 0.04 A. Peak 4848 from cnoeabs.peaks (7.67, 0.85, 24.31 ppm; 4.28 A): 2 out of 3 assignments used, quality = 1.00: HE22 GLN 47 + QD2 LEU 43 OK 100 100 100 100 1.9-3.8 4559=100, 1.7/4558=90...(10) H VAL 48 + QD2 LEU 43 OK 86 93 100 92 4.1-5.8 4.7/4550=44, 221/4548=41...(9) H LYS 39 - QD2 LEU 43 far 0 100 0 - 7.2-8.2 Violated in 0 structures by 0.00 A. Peak 4850 from cnoeabs.peaks (1.75, 4.44, 59.02 ppm; 4.14 A): 0 out of 4 assignments used, quality = 0.00: HB3 LYS 62 - HA TYR 57 far 12 78 15 - 2.7-17.1 HB3 LYS 58 - HA TYR 57 far 8 78 10 - 5.5-5.9 HB3 LYS 60 - HA TYR 57 far 7 71 10 - 2.7-10.9 HB3 ARG 61 - HA TYR 57 far 0 68 0 - 6.1-14.5 Violated in 16 structures by 1.20 A. Peak 4851 from cnoeabs.peaks (1.43, 4.44, 59.02 ppm; 4.50 A): 1 out of 7 assignments used, quality = 0.36: HG3 LYS 58 + HA TYR 57 OK 36 68 65 81 5.3-7.0 4718/4614=53, 789/3.6=43...(4) HG3 ARG 56 - HA TYR 57 poor 18 71 25 - 4.5-6.7 HG3 LYS 60 - HA TYR 57 far 15 100 15 - 2.2-11.8 HG2 LYS 60 - HA TYR 57 far 15 100 15 - 3.4-12.3 HG3 LYS 62 - HA TYR 57 far 10 100 10 - 4.4-16.7 HG2 LYS 62 - HA TYR 57 far 10 100 10 - 4.7-17.9 HB2 LYS 27 - HA TYR 57 far 0 97 0 - 7.0-11.7 Violated in 20 structures by 1.55 A. Peak 4853 from cnoeabs.peaks (3.79, 1.00, 23.57 ppm; 3.67 A): 2 out of 9 assignments used, quality = 0.96: HA ARG 34 + QG1 VAL 48 OK 94 100 100 94 3.0-3.8 4326/4581=47...(10) HA PHE 52 + QG1 VAL 48 OK 36 60 70 86 5.0-5.6 3.7/4792=46, 2.9/4632=40...(7) HA GLN 15 - QG2 VAL 16 far 0 48 0 - 5.5-6.0 HA THR 14 - QG2 VAL 16 far 0 27 0 - 6.3-6.9 HA ILE 50 - QG1 VAL 48 far 0 96 0 - 6.6-6.9 HA PHE 52 - QG2 VAL 16 far 0 24 0 - 7.4-8.4 HA GLN 15 - QG1 VAL 48 far 0 99 0 - 8.4-10.6 HD3 PRO 32 - QG1 VAL 48 far 0 93 0 - 9.6-10.5 HA ILE 50 - QG2 VAL 16 far 0 45 0 - 9.8-10.4 Violated in 2 structures by 0.00 A. Peak 4854 from cnoeabs.peaks (4.33, 1.00, 23.57 ppm; 4.26 A): 1 out of 9 assignments used, quality = 1.00: HA LYS 49 + QG1 VAL 48 OK 100 100 100 100 3.4-3.5 4583=98, 3.0/230=68...(9) HA GLU 67 - QG2 VAL 16 far 0 44 0 - 6.3-24.0 HA LYS 22 - QG1 VAL 48 far 0 71 0 - 6.5-7.6 HA LEU 41 - QG1 VAL 48 far 0 93 0 - 7.3-9.4 HA LEU 41 - QG2 VAL 16 far 0 43 0 - 7.6-9.8 HA GLN 63 - QG2 VAL 16 far 0 45 0 - 7.7-22.6 HA HIS 36 - QG1 VAL 48 far 0 98 0 - 7.8-8.8 HA ASN 54 - QG2 VAL 16 far 0 24 0 - 9.3-10.6 HA ASN 54 - QG1 VAL 48 far 0 60 0 - 9.9-10.3 Violated in 0 structures by 0.00 A. Peak 4855 from cnoeabs.peaks (2.29, 2.80, 42.08 ppm; 4.52 A): 0 out of 5 assignments used, quality = 0.00: HG3 GLN 26 - HE2 LYS 22 poor 20 100 20 - 5.6-11.0 HG2 GLN 26 - HE2 LYS 22 poor 10 100 30 33 4.1-12.0 4194/4778=32 HG2 GLU 18 - HE2 LYS 22 far 0 97 0 - 7.5-12.4 HB3 PRO 32 - HE2 LYS 22 far 0 78 0 - 7.5-10.2 HG2 GLN 15 - HE2 LYS 22 far 0 96 0 - 10.0-15.4 Violated in 17 structures by 1.71 A. Peak 4857 from cnoeabs.peaks (0.15, 2.29, 34.10 ppm; 5.16 A): 2 out of 2 assignments used, quality = 0.94: QD1 LEU 29 + HG2 GLN 26 OK 75 100 75 100 4.2-8.1 ~4196=56, ~4195=53...(18) QD1 LEU 29 + HG3 GLN 26 OK 75 100 75 100 4.7-7.7 ~4196=56, ~4195=53...(18) Violated in 5 structures by 0.43 A. Peak 4858 from cnoeabs.peaks (1.55, 2.29, 34.10 ppm; 4.94 A): 2 out of 6 assignments used, quality = 0.80: HB3 LYS 27 + HG3 GLN 26 OK 56 96 80 74 4.8-6.7 589/4.9=61, 4.1/4218=32 HB3 LYS 27 + HG2 GLN 26 OK 53 96 75 74 5.1-6.6 589/4.9=61, 4.1/4218=32 HG LEU 37 - HG2 GLN 26 far 0 96 0 - 7.4-14.4 HG LEU 37 - HG3 GLN 26 far 0 96 0 - 8.1-13.8 QB ALA 31 - HG3 GLN 26 far 0 97 0 - 9.4-11.5 QB ALA 31 - HG2 GLN 26 far 0 97 0 - 9.8-11.5 Violated in 16 structures by 0.03 A. Peak 4859 from cnoeabs.peaks (7.19, 2.29, 34.10 ppm; 5.06 A): 2 out of 6 assignments used, quality = 0.54: HZ PHE 52 + HG2 GLN 26 OK 37 97 65 59 5.0-9.9 4647/4194=28...(5) HZ PHE 52 + HG3 GLN 26 OK 26 97 45 60 5.4-9.7 4647/4194=30...(5) QE PHE 23 - HG2 GLN 26 far 5 93 5 - 6.3-9.1 QE PHE 23 - HG3 GLN 26 lone 1 93 25 4 5.9-9.2 4634/4782=2 H GLU 33 - HG2 GLN 26 far 0 81 0 - 8.2-11.1 H GLU 33 - HG3 GLN 26 far 0 80 0 - 8.2-10.5 Violated in 18 structures by 1.12 A. Peak 4862 from cnoeabs.peaks (7.16, 2.84, 42.40 ppm; 4.99 A): 1 out of 3 assignments used, quality = 0.97: QE PHE 23 + HE2 LYS 27 OK 97 97 100 100 2.2-5.2 4641/1.8=97, 4209/3.0=69...(20) HZ PHE 52 - HE2 LYS 27 far 0 93 0 - 8.1-11.9 QD TYR 57 - HE2 LYS 27 far 0 85 0 - 8.7-12.8 Violated in 4 structures by 0.03 A. Peak 4863 from cnoeabs.peaks (7.17, 2.76, 42.40 ppm; 4.79 A): 1 out of 3 assignments used, quality = 1.00: QE PHE 23 + HE3 LYS 27 OK 100 100 100 100 2.0-4.4 4641=100, 2.2/4647=77...(15) QD TYR 57 - HE3 LYS 27 far 0 71 0 - 8.6-11.8 HZ PHE 52 - HE3 LYS 27 far 0 99 0 - 8.7-11.2 Violated in 0 structures by 0.00 A. Peak 4864 from cnoeabs.peaks (7.07, 2.76, 42.40 ppm; 5.36 A): 1 out of 1 assignment used, quality = 0.96: QD PHE 23 + HE3 LYS 27 OK 96 96 100 100 3.8-6.3 2.2/4641=98, 3.8/4647=71...(10) Violated in 4 structures by 0.12 A. Peak 4865 from cnoeabs.peaks (6.95, 2.76, 42.40 ppm; 5.28 A): 1 out of 3 assignments used, quality = 1.00: HZ PHE 23 + HE3 LYS 27 OK 100 100 100 100 2.0-3.9 4647=99, 2.2/4641=98...(13) HE3 TRP 51 - HE3 LYS 27 far 0 87 0 - 8.3-10.0 HE21 GLN 53 - HE3 LYS 27 far 0 85 0 - 9.7-14.4 Violated in 0 structures by 0.00 A. Peak 4866 from cnoeabs.peaks (3.80, 4.55, 56.86 ppm; 4.01 A): 1 out of 2 assignments used, quality = 0.45: HD3 PRO 32 + HA SER 30 OK 45 100 45 100 3.8-6.0 1.8/4868=60, 4266/3.0=55...(14) HA ARG 34 - HA SER 30 far 0 92 0 - 6.5-8.4 Violated in 19 structures by 1.43 A. Peak 4867 from cnoeabs.peaks (3.80, 4.01, 64.90 ppm; 4.45 A): 1 out of 2 assignments used, quality = 1.00: HD3 PRO 32 + HB2 SER 30 OK 100 100 100 100 2.7-5.4 1.8/4291=89, 4266/1.8=83...(13) HA ARG 34 - HB2 SER 30 far 0 92 0 - 6.4-9.0 Violated in 5 structures by 0.22 A. Peak 4868 from cnoeabs.peaks (4.55, 3.91, 50.04 ppm; 4.60 A): 1 out of 1 assignment used, quality = 1.00: HA SER 30 + HD2 PRO 32 OK 100 100 100 100 3.8-5.3 4866/1.8=90, 3.0/4265=78...(14) Violated in 2 structures by 0.04 A. Peak 4869 from cnoeabs.peaks (3.80, 0.96, 24.23 ppm; 4.75 A): 2 out of 4 assignments used, quality = 0.99: HA ARG 34 + QD1 LEU 37 OK 97 97 100 100 4.3-5.6 3743/3.1=69, 3741/3.1=69...(11) HA GLN 15 + QD1 LEU 37 OK 61 99 75 82 5.3-7.5 4454/4377=44...(5) HA THR 14 - QD1 LEU 37 far 0 95 0 - 8.3-10.8 HA ILE 50 - QD1 LEU 37 far 0 68 0 - 9.0-12.6 Violated in 16 structures by 0.18 A. Peak 4871 from cnoeabs.peaks (1.47, 0.95, 23.79 ppm; 4.16 A): 2 out of 3 assignments used, quality = 0.96: HG LEU 43 + QG2 VAL 48 OK 94 100 95 99 4.5-5.7 2.1/4480=66, 3.0/4476=65...(11) HB3 LEU 29 + QG2 VAL 48 OK 34 97 55 64 4.8-7.1 ~4581=39, ~4230=22...(4) QB ALA 35 - QG2 VAL 48 far 0 92 0 - 5.7-6.5 Violated in 20 structures by 0.48 A. Peak 4877 from cnoeabs.peaks (3.98, 2.84, 43.43 ppm; 5.45 A): 0 out of 0 assignments used, quality = 0.00: Peak 4881 from cnoeabs.peaks (1.27, 4.26, 56.50 ppm; 4.70 A): 1 out of 2 assignments used, quality = 0.57: QG2 THR 59 + HA LYS 60 OK 57 85 100 67 3.4-5.7 ~4681=33, ~313=16...(8) QG2 THR 59 - HA LYS 62 far 12 80 15 - 3.5-10.2 Violated in 13 structures by 0.34 A. 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 8 assignments used, quality = 1.00: HE3 LYS 60 + HB2 LYS 60 OK 100 100 100 100 2.0-5.1 4.9=100 HE2 LYS 60 + HB2 LYS 60 OK 100 100 100 100 2.8-5.0 4.9=100 HE2 LYS 62 + HB2 LYS 62 OK 96 96 100 100 2.0-5.5 4.6=100 HE3 LYS 62 + HB2 LYS 62 OK 96 96 100 100 2.2-5.5 4.6=100 HE3 LYS 60 - HB2 LYS 62 poor 19 96 20 - 4.5-11.9 HE3 LYS 62 - HB2 LYS 60 far 15 100 15 - 4.9-12.0 HE2 LYS 62 - HB2 LYS 60 far 10 100 10 - 3.7-12.1 HE2 LYS 60 - HB2 LYS 62 far 5 96 5 - 5.2-11.4 Violated in 0 structures by 0.00 A. Peak 4890 from cnoeabs.peaks (1.72, 0.46, 23.31 ppm; 3.85 A): 2 out of 7 assignments used, quality = 1.00: HG2 LYS 22 + QD2 LEU 29 OK 100 100 100 100 1.9-4.5 4153=69, 1.8/4155=65...(17) HB3 LEU 37 + QD2 LEU 29 OK 83 89 95 99 4.1-5.7 3.1/4232=54, 4372/2.1=36...(17) HD3 LYS 49 - QD2 LEU 29 far 0 95 0 - 8.4-12.0 HD2 LYS 49 - QD2 LEU 29 far 0 96 0 - 8.5-11.8 HD3 LYS 39 - QD2 LEU 29 far 0 81 0 - 8.5-11.1 HB2 ARG 56 - QD2 LEU 29 far 0 99 0 - 8.6-12.1 HD2 LYS 39 - QD2 LEU 29 far 0 81 0 - 8.9-12.0 Violated in 2 structures by 0.02 A. Peak 4891 from cnoeabs.peaks (1.83, 0.46, 23.31 ppm; 4.84 A): 2 out of 4 assignments used, quality = 0.98: HD2 LYS 22 + QD2 LEU 29 OK 96 96 100 100 2.1-4.5 4157=85, 1.8/4159=85...(12) HB3 ARG 34 + QD2 LEU 29 OK 63 63 100 100 4.2-4.9 3.0/4242=66, ~4325=58...(19) HG2 ARG 21 - QD2 LEU 29 far 0 63 0 - 8.5-9.7 HB2 ARG 61 - QD2 LEU 29 far 0 83 0 - 9.9-19.7 Violated in 0 structures by 0.00 A. Peak 4892 from cnoeabs.peaks (1.57, 0.15, 26.45 ppm; 5.28 A): 2 out of 7 assignments used, quality = 1.00: HG LEU 37 + QD1 LEU 29 OK 96 96 100 100 2.2-4.4 2.1/4231=97, 2.1/4379=95...(12) HG3 ARG 34 + QD1 LEU 29 OK 93 93 100 100 2.0-3.2 4330=89, 4.0/4326=83...(19) HG2 LYS 49 - QD1 LEU 29 far 5 100 5 - 6.5-9.3 QB ALA 31 - QD1 LEU 29 far 5 93 5 - 6.1-7.5 HG3 LYS 39 - QD1 LEU 29 far 0 65 0 - 7.3-9.1 HB3 LYS 27 - QD1 LEU 29 far 0 96 0 - 7.4-8.7 HG3 ARG 61 - QD1 LEU 29 far 0 76 0 - 9.3-19.7 Violated in 0 structures by 0.00 A. Peak 4893 from cnoeabs.peaks (7.90, 4.08, 59.02 ppm; 4.20 A): 1 out of 1 assignment used, quality = 0.99: H LYS 42 + HA LYS 39 OK 99 99 100 99 3.4-3.7 4466=97, 188/4486=53...(7) Violated in 0 structures by 0.00 A. Peak 4894 from cnoeabs.peaks (1.57, 0.72, 26.10 ppm; 3.63 A): 1 out of 4 assignments used, quality = 0.68: HG LEU 37 + QD1 LEU 41 OK 68 99 70 99 2.6-5.6 2.1/4377=62, 4380=49...(16) HG3 ARG 34 - QD1 LEU 41 far 0 87 0 - 6.4-9.9 HG3 LYS 39 - QD1 LEU 41 far 0 76 0 - 7.3-8.1 HG3 ARG 61 - QD1 LEU 41 far 0 65 0 - 9.8-22.7 Violated in 12 structures by 0.85 A. Peak 4525 from aronoe.peaks (4.68, 7.07, 119.58 ppm; 4.39 A): 1 out of 2 assignments used, quality = 0.87: * HA HIS 10 + HD2 HIS 10 OK 87 100 100 87 2.4-4.4 4.6=87 HA MET 11 - HD2 HIS 10 lone 1 71 35 2 4.0-7.8 Violated in 0 structures by 0.00 A. Peak 4526 from aronoe.peaks (3.21, 7.07, 119.58 ppm; 4.13 A): 1 out of 3 assignments used, quality = 1.00: * HB2 HIS 10 + HD2 HIS 10 OK 100 100 100 100 2.8-4.0 3.9=100 HA VAL 16 - HD2 HIS 10 far 0 85 0 - 6.0-12.7 HB2 HIS 13 - HD2 HIS 10 far 0 99 0 - 7.3-14.8 Violated in 0 structures by 0.00 A. 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 93 100 100 2.8-4.0 3.9=100 Violated in 0 structures by 0.00 A. 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 5 assignments used, quality = 0.93: * HB2 HIS 13 + HD2 HIS 13 OK 93 99 100 94 2.8-3.3 4.0=94, 4080/4624=7 HA VAL 16 - HD2 HIS 13 far 0 92 0 - 6.6-8.9 HD3 ARG 21 - HD2 HIS 13 far 0 76 0 - 9.1-11.5 HD2 ARG 21 - HD2 HIS 13 far 0 93 0 - 9.2-12.2 HB2 HIS 10 - HD2 HIS 13 far 0 95 0 - 9.5-14.9 Violated in 0 structures by 0.00 A. 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 99 100 100 3.9-4.0 4.0=100 Violated in 0 structures by 0.00 A. 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 1 assignment used, quality = 0.98: * HA PHE 23 + QD PHE 23 OK 98 100 100 98 1.9-3.1 3.7=71, 3.0/4633=38...(11) Violated in 0 structures by 0.00 A. Peak 4540 from aronoe.peaks (3.15, 7.06, 132.37 ppm; 3.06 A): 1 out of 4 assignments used, quality = 1.00: * HB2 PHE 23 + QD PHE 23 OK 100 100 100 100 2.3-2.8 2.4=100 HD3 ARG 61 - QD PHE 23 far 0 95 0 - 5.9-16.1 HD2 ARG 61 - QD PHE 23 far 0 95 0 - 6.2-16.7 HB3 TYR 57 - QD PHE 23 far 0 96 0 - 9.1-10.5 Violated in 0 structures by 0.00 A. Peak 4541 from aronoe.peaks (3.08, 7.06, 132.37 ppm; 3.11 A): 1 out of 2 assignments used, quality = 1.00: * HB3 PHE 23 + QD PHE 23 OK 100 100 100 100 2.3-2.8 2.4=100 HB2 TYR 57 - QD PHE 23 far 0 92 0 - 8.6-9.8 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * QE PHE 23 + QD PHE 23 OK 100 100 100 100 2.2-2.2 2.2=100 HZ PHE 52 - QD PHE 23 far 5 99 5 - 3.7-5.1 QD TYR 57 - QD PHE 23 far 0 68 0 - 9.3-10.3 Violated in 0 structures by 0.00 A. Peak 4544 from aronoe.peaks (6.95, 7.06, 132.37 ppm; 3.30 A): 2 out of 3 assignments used, quality = 0.96: * HZ PHE 23 + QD PHE 23 OK 86 100 100 86 3.8-3.8 4548=66, 4203/4629=25...(8) HE3 TRP 51 + QD PHE 23 OK 70 76 100 92 3.3-3.9 2.5/4637=46, 4.3/4636=26...(11) HE21 GLN 53 - QD PHE 23 far 0 93 0 - 8.9-11.6 Violated in 17 structures by 0.06 A. 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 100 100 100 100 2.2-2.2 2.2=100 Violated in 0 structures by 0.00 A. 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 3 assignments used, quality = 1.00: * HZ PHE 23 + QE PHE 23 OK 100 100 100 100 2.2-2.2 2.2=100 HE3 TRP 51 - QE PHE 23 far 4 75 5 - 3.9-5.5 HE21 GLN 53 - QE PHE 23 far 0 92 0 - 8.0-10.8 Violated in 0 structures by 0.00 A. Peak 4548 from aronoe.peaks (7.06, 6.95, 128.74 ppm; 3.79 A): 1 out of 1 assignment used, quality = 0.99: * QD PHE 23 + HZ PHE 23 OK 99 99 100 99 3.8-3.8 3.8=99 Violated in 20 structures by 0.01 A. Peak 4549 from aronoe.peaks (7.17, 6.95, 128.74 ppm; 2.72 A): 1 out of 3 assignments used, quality = 0.99: * QE PHE 23 + HZ PHE 23 OK 99 99 100 100 2.2-2.2 2.2=100 QD TYR 57 - HZ PHE 23 far 0 66 0 - 7.6-9.5 HZ PHE 52 - HZ PHE 23 far 0 98 0 - 7.7-9.3 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.7-4.0 3.9=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.7-4.0 3.9=100 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HA TYR 28 + QD TYR 28 OK 100 100 100 100 2.9-3.7 3.7=100 HA HIS 25 - QD TYR 28 far 0 83 0 - 9.6-10.5 Violated in 0 structures by 0.00 A. Peak 4559 from aronoe.peaks (2.95, 7.13, 133.55 ppm; 2.94 A): 1 out of 2 assignments used, quality = 1.00: * HB2 TYR 28 + QD TYR 28 OK 100 100 100 100 2.3-2.4 2.5=100 HE3 LYS 22 - QD TYR 28 far 0 100 0 - 9.6-12.9 Violated in 0 structures by 0.00 A. Peak 4560 from aronoe.peaks (2.72, 7.13, 133.55 ppm; 2.91 A): 1 out of 2 assignments used, quality = 1.00: * HB3 TYR 28 + QD TYR 28 OK 100 100 100 100 2.4-2.5 2.5=100 HD2 ARG 56 - QD TYR 28 poor 11 100 25 46 3.8-7.7 ~4668=17, 1707/2.2=11...(7) Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.2-2.2 2.2=100 Violated in 0 structures by 0.00 A. Peak 4563 from aronoe.peaks (7.13, 6.79, 117.71 ppm; 2.47 A): 1 out of 2 assignments used, quality = 1.00: * QD TYR 28 + QE TYR 28 OK 100 100 100 100 2.2-2.2 2.2=100 QD TYR 57 - QE TYR 28 far 0 88 0 - 8.0-12.7 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 0.97: * HB2 HIS 36 + HD2 HIS 36 OK 84 97 100 86 2.7-4.0 4.0=80, 3735/4626=23, 636/5.9=12 HB3 HIS 36 + HD2 HIS 36 OK 84 97 100 86 2.7-4.0 4.0=80, 3735/4626=21, 636/5.9=12 Violated in 0 structures by 0.00 A. Peak 4567 from aronoe.peaks (3.19, 7.04, 119.63 ppm; 3.67 A): 2 out of 2 assignments used, quality = 0.98: HB2 HIS 36 + HD2 HIS 36 OK 85 98 100 86 2.7-4.0 4.0=80, 3735/4626=23, 636/5.9=12 * HB3 HIS 36 + HD2 HIS 36 OK 84 98 100 86 2.7-4.0 4.0=80, 3735/4626=21, 636/5.9=12 Violated in 0 structures by 0.00 A. 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 1 assignment used, quality = 0.97: * HA TRP 51 + HD1 TRP 51 OK 97 99 100 98 3.0-3.5 2517=71, 3.0/4574=71...(5) Violated in 0 structures by 0.00 A. Peak 4573 from aronoe.peaks (3.50, 7.14, 127.06 ppm; 3.82 A): 1 out of 2 assignments used, quality = 1.00: * HB2 TRP 51 + HD1 TRP 51 OK 100 100 100 100 3.7-3.8 3.9=94, 1.8/4574=87...(8) HB3 PHE 52 - HD1 TRP 51 far 0 64 0 - 7.9-9.0 Violated in 5 structures by 0.00 A. Peak 4574 from aronoe.peaks (3.29, 7.14, 127.06 ppm; 3.27 A): 1 out of 2 assignments used, quality = 0.93: * HB3 TRP 51 + HD1 TRP 51 OK 93 100 100 93 2.6-2.7 3.9=59, 1.8/4573=55...(7) HB2 PHE 52 - HD1 TRP 51 far 0 87 0 - 7.9-9.0 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.6-2.6 2.6=100 Violated in 0 structures by 0.00 A. 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 97 100 100 2.5-2.5 2.5=100 Violated in 0 structures by 0.00 A. Peak 4588 from aronoe.peaks (6.97, 5.72, 120.81 ppm; 3.86 A): 1 out of 2 assignments used, quality = 1.00: * HE3 TRP 51 + HZ3 TRP 51 OK 100 100 100 100 2.5-2.5 2.5=100 HZ PHE 23 - HZ3 TRP 51 far 0 77 0 - 5.5-6.2 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.4-2.4 2.4=100 Violated in 0 structures by 0.00 A. 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 99 100 100 2.8-2.8 2.8=100 Violated in 0 structures by 0.00 A. 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 99 100 100 4.3-4.3 4.3=100 Violated in 0 structures by 0.00 A. 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 99 100 100 2.5-2.5 2.5=100 Violated in 0 structures by 0.00 A. 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 99 100 100 2.4-2.4 2.4=100 Violated in 0 structures by 0.00 A. 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 100 100 100 100 2.5-2.5 2.5=100 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HA PHE 52 + QD PHE 52 OK 100 100 100 100 2.7-3.0 3.7=100 HA ILE 50 - QD PHE 52 far 0 89 0 - 6.2-6.6 Violated in 0 structures by 0.00 A. Peak 4606 from aronoe.peaks (3.27, 7.75, 131.45 ppm; 4.02 A): 2 out of 3 assignments used, quality = 1.00: * HB2 PHE 52 + QD PHE 52 OK 99 99 100 100 2.3-2.7 2.5=100 HB3 TRP 51 + QD PHE 52 OK 67 71 100 95 3.9-4.1 3.0/4729=50, 4.3/747=47...(10) HD3 ARG 34 - QD PHE 52 far 0 100 0 - 5.8-7.5 Violated in 0 structures by 0.00 A. Peak 4607 from aronoe.peaks (3.53, 7.75, 131.45 ppm; 4.15 A): 2 out of 3 assignments used, quality = 1.00: * HB3 PHE 52 + QD PHE 52 OK 100 100 100 100 2.3-2.7 2.5=100 HB2 TRP 51 + QD PHE 52 OK 61 63 100 97 2.2-2.4 3.0/4729=54, 4.3/747=50...(11) HD2 ARG 34 - QD PHE 52 far 14 93 15 - 5.5-7.8 Violated in 0 structures by 0.00 A. 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): 2 out of 5 assignments used, quality = 1.00: * QE PHE 52 + QD PHE 52 OK 100 100 100 100 2.2-2.2 2.2=100 H TYR 28 + QD PHE 52 OK 28 73 90 42 4.1-6.0 3.6/4200=32...(3) HE22 GLN 53 - QD PHE 52 far 0 71 0 - 7.9-10.3 HE21 GLN 63 - QD PHE 52 far 0 100 0 - 9.3-23.0 H GLU 18 - QD PHE 52 far 0 71 0 - 9.3-10.3 Violated in 0 structures by 0.00 A. Peak 4610 from aronoe.peaks (7.18, 7.75, 131.45 ppm; 4.57 A): 2 out of 2 assignments used, quality = 1.00: * HZ PHE 52 + QD PHE 52 OK 100 100 100 100 3.8-3.8 3.8=100 QE PHE 23 + QD PHE 52 OK 100 100 100 100 3.0-4.3 2.2/4698=76, ~4630=62...(16) Violated in 0 structures by 0.00 A. Peak 4611 from aronoe.peaks (7.75, 7.53, 131.87 ppm; 3.08 A): 1 out of 2 assignments used, quality = 1.00: * QD PHE 52 + QE PHE 52 OK 100 100 100 100 2.2-2.2 2.2=100 H ARG 56 - QE PHE 52 far 0 100 0 - 7.4-8.4 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * HZ PHE 52 + QE PHE 52 OK 100 100 100 100 2.2-2.2 2.2=100 QE PHE 23 - QE PHE 52 far 10 100 10 - 4.4-5.8 Violated in 0 structures by 0.00 A. Peak 4614 from aronoe.peaks (4.44, 7.15, 132.89 ppm; 3.01 A): 1 out of 3 assignments used, quality = 0.93: * HA TYR 57 + QD TYR 57 OK 93 100 100 93 3.0-3.2 2798=69, 3.0/783=32...(8) HA SER 65 - QD TYR 57 far 0 100 0 - 4.6-19.9 HA SER 66 - QD TYR 57 far 0 94 0 - 6.4-21.0 Violated in 20 structures by 0.10 A. 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 100 100 100 100 2.4-2.5 2.5=100 Violated in 0 structures by 0.00 A. Peak 4616 from aronoe.peaks (3.17, 7.15, 132.89 ppm; 2.96 A): 1 out of 3 assignments used, quality = 1.00: * HB3 TYR 57 + QD TYR 57 OK 100 100 100 100 2.3-2.4 2.5=100 HD2 ARG 61 - QD TYR 57 far 3 70 5 - 4.2-15.0 HD3 ARG 61 - QD TYR 57 far 0 70 0 - 5.7-14.9 Violated in 0 structures by 0.00 A. 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 2 assignments used, quality = 1.00: * QE TYR 57 + QD TYR 57 OK 100 100 100 100 2.2-2.2 2.2=100 QE TYR 28 - QD TYR 57 far 0 64 0 - 8.0-12.7 Violated in 0 structures by 0.00 A. Peak 4619 from aronoe.peaks (7.15, 6.82, 117.88 ppm; 2.40 A): 1 out of 2 assignments used, quality = 1.00: * QD TYR 57 + QE TYR 57 OK 100 100 100 100 2.2-2.2 2.2=100 QE PHE 23 - QE TYR 57 far 0 68 0 - 9.5-10.8 Violated in 0 structures by 0.00 A. 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 1 assignment used, quality = 0.92: HG13 ILE 17 + HD2 HIS 13 OK 92 95 100 97 3.0-4.8 2.1/4624=87, 1.8/4623=77 Violated in 1 structures by 0.01 A. Peak 4622 from aronoe.peaks (1.21, 7.12, 119.47 ppm; 4.64 A): 1 out of 2 assignments used, quality = 0.90: QG2 THR 14 + HD2 HIS 13 OK 90 98 100 92 3.8-4.9 4745=82, 4079/4624=54 HG LEU 19 - HD2 HIS 13 far 0 63 0 - 9.0-11.6 Violated in 13 structures by 0.09 A. Peak 4623 from aronoe.peaks (1.07, 7.12, 119.47 ppm; 4.73 A): 1 out of 1 assignment used, quality = 0.86: HG12 ILE 17 + HD2 HIS 13 OK 86 88 100 98 2.4-5.6 2.1/4624=89, 1.8/4621=81 Violated in 1 structures by 0.04 A. Peak 4624 from aronoe.peaks (0.69, 7.12, 119.47 ppm; 4.03 A): 1 out of 3 assignments used, quality = 0.92: QD1 ILE 17 + HD2 HIS 13 OK 92 96 100 96 2.0-3.5 4082=59, 2.1/4621=57...(6) QD1 LEU 41 - HD2 HIS 13 far 0 60 0 - 7.7-10.2 HB2 LEU 19 - HD2 HIS 13 far 0 84 0 - 8.6-11.7 Violated in 0 structures by 0.00 A. Peak 4626 from aronoe.peaks (4.07, 7.04, 119.63 ppm; 4.21 A): 1 out of 3 assignments used, quality = 0.40: HA GLU 33 + HD2 HIS 36 OK 40 98 60 67 3.1-6.6 3733/4.0=32, 985/5.9=32 HA LEU 37 - HD2 HIS 36 far 5 92 5 - 4.5-7.4 HA LYS 39 - HD2 HIS 36 far 0 94 0 - 7.4-10.5 Violated in 18 structures by 1.36 A. Peak 4627 from aronoe.peaks (4.22, 7.06, 132.37 ppm; 4.35 A): 1 out of 3 assignments used, quality = 1.00: HA GLU 20 + QD PHE 23 OK 100 100 100 100 3.4-4.1 3707/2.4=82, 3709/2.4=76...(8) HA ARG 61 - QD PHE 23 far 8 83 10 - 3.2-13.8 HA GLU 18 - QD PHE 23 far 0 60 0 - 8.9-9.8 Violated in 0 structures by 0.00 A. Peak 4628 from aronoe.peaks (4.08, 7.06, 132.37 ppm; 4.19 A): 2 out of 4 assignments used, quality = 0.99: HA SER 24 + QD PHE 23 OK 97 100 100 97 2.9-4.6 4178=70, 3.0/4632=41...(7) HA ARG 56 + QD PHE 23 OK 54 100 55 98 5.0-6.2 4673/2.2=74, 4674/3.8=58...(8) HA ARG 21 - QD PHE 23 far 0 97 0 - 5.8-7.1 HA LYS 58 - QD PHE 23 far 0 68 0 - 9.1-11.1 Violated in 2 structures by 0.01 A. Peak 4629 from aronoe.peaks (3.90, 7.06, 132.37 ppm; 3.65 A): 1 out of 3 assignments used, quality = 0.98: HA LYS 27 + QD PHE 23 OK 98 100 100 99 2.2-4.2 4202=74, 4639/2.2=65...(10) HB3 SER 66 - QD PHE 23 far 0 57 0 - 6.5-19.4 HB3 SER 65 - QD PHE 23 far 0 60 0 - 9.7-22.7 Violated in 4 structures by 0.04 A. Peak 4630 from aronoe.peaks (7.53, 7.06, 132.37 ppm; 3.40 A): 1 out of 4 assignments used, quality = 0.99: QE PHE 52 + QD PHE 23 OK 99 100 100 99 2.8-3.9 4700=69, 2.2/4631=43...(15) H TYR 28 - QD PHE 23 far 0 60 0 - 5.2-6.4 HE21 GLN 63 - QD PHE 23 far 0 100 0 - 5.7-20.3 H GLU 18 - QD PHE 23 far 0 83 0 - 9.6-10.4 Violated in 17 structures by 0.21 A. Peak 4631 from aronoe.peaks (7.76, 7.06, 132.37 ppm; 3.60 A): 2 out of 2 assignments used, quality = 0.96: QD PHE 52 + QD PHE 23 OK 93 95 100 99 2.4-3.8 2.2/4630=71, 4698=48...(14) H ARG 56 + QD PHE 23 OK 35 95 45 83 4.5-5.8 4672/2.2=30, ~4673=27...(10) Violated in 1 structures by 0.01 A. Peak 4632 from aronoe.peaks (8.13, 7.06, 132.37 ppm; 4.28 A): 2 out of 2 assignments used, quality = 1.00: H SER 24 + QD PHE 23 OK 100 100 100 100 3.3-4.4 4.4=92, 78/2.4=74...(8) H LYS 27 + QD PHE 23 OK 46 97 50 95 4.4-6.4 3.0/4629=73, ~4639=42...(6) Violated in 0 structures by 0.00 A. Peak 4633 from aronoe.peaks (8.99, 7.06, 132.37 ppm; 4.22 A): 1 out of 2 assignments used, quality = 1.00: H PHE 23 + QD PHE 23 OK 100 100 100 100 4.0-4.2 4.6=79, 3.0/4539=78...(9) H SER 30 - QD PHE 23 far 0 95 0 - 8.8-10.3 Violated in 0 structures by 0.00 A. Peak 4634 from aronoe.peaks (7.54, 7.17, 130.75 ppm; 4.13 A): 2 out of 3 assignments used, quality = 0.81: QE PHE 52 + QE PHE 23 OK 72 91 80 99 4.4-5.8 4630/2.2=78, ~4698=41...(12) H TYR 57 + QE PHE 23 OK 32 82 45 88 4.7-6.3 3.6/4673=51, 4.6/4644=39...(6) HE21 GLN 63 - QE PHE 23 far 5 95 5 - 5.4-18.6 Violated in 20 structures by 0.68 A. Peak 4635 from aronoe.peaks (7.75, 7.17, 130.75 ppm; 3.96 A): 2 out of 3 assignments used, quality = 1.00: H ARG 56 + QE PHE 23 OK 100 100 100 100 2.4-4.2 3.0/4673=54, 775/4646=50...(20) QD PHE 52 + QE PHE 23 OK 98 100 100 99 3.0-4.3 4698/2.2=58, ~4630=48...(16) H THR 59 - QE PHE 23 poor 14 72 20 - 4.7-6.6 Violated in 0 structures by 0.00 A. Peak 4636 from aronoe.peaks (6.45, 7.06, 132.37 ppm; 4.34 A): 1 out of 1 assignment used, quality = 0.99: HH2 TRP 51 + QD PHE 23 OK 99 99 100 100 3.6-4.7 2.4/4637=77, 4721/2.4=76...(10) Violated in 11 structures by 0.13 A. Peak 4637 from aronoe.peaks (5.74, 7.06, 132.37 ppm; 3.95 A): 1 out of 1 assignment used, quality = 0.84: HZ3 TRP 51 + QD PHE 23 OK 84 85 100 99 2.0-3.4 4167/2.4=58, 2.4/4636=58...(11) Violated in 0 structures by 0.00 A. Peak 4638 from aronoe.peaks (4.09, 7.17, 130.75 ppm; 3.77 A): 2 out of 4 assignments used, quality = 0.97: HA ARG 56 + QE PHE 23 OK 95 95 100 100 2.9-4.1 4640/2.2=76, 4673=70...(14) HA SER 24 + QE PHE 23 OK 37 92 75 54 4.2-6.1 4178/2.2=42, ~4632=19 HA LYS 58 - QE PHE 23 far 0 89 0 - 7.2-9.3 HA ARG 21 - QE PHE 23 far 0 80 0 - 7.9-9.2 Violated in 4 structures by 0.01 A. Peak 4639 from aronoe.peaks (3.90, 7.17, 130.75 ppm; 3.75 A): 1 out of 2 assignments used, quality = 0.98: HA LYS 27 + QE PHE 23 OK 98 98 100 100 1.9-4.0 4629/2.2=70, 4201=69...(16) HB3 SER 66 - QE PHE 23 far 0 62 0 - 6.0-17.5 Violated in 1 structures by 0.01 A. Peak 4640 from aronoe.peaks (4.09, 6.95, 128.74 ppm; 3.40 A): 1 out of 3 assignments used, quality = 0.88: HA ARG 56 + HZ PHE 23 OK 88 90 100 98 2.0-3.5 4674=69, 4673/2.2=43...(11) HA SER 24 - HZ PHE 23 far 0 87 0 - 6.1-8.2 HA LYS 58 - HZ PHE 23 far 0 93 0 - 7.3-9.7 Violated in 5 structures by 0.01 A. Peak 4641 from aronoe.peaks (2.76, 7.17, 130.75 ppm; 3.83 A): 1 out of 1 assignment used, quality = 0.99: HE3 LYS 27 + QE PHE 23 OK 99 100 100 100 2.0-4.4 4863=51, 4647/2.2=49...(15) Violated in 4 structures by 0.06 A. Peak 4642 from aronoe.peaks (2.85, 7.17, 130.75 ppm; 4.38 A): 2 out of 4 assignments used, quality = 1.00: HD3 ARG 56 + QE PHE 23 OK 97 97 100 100 2.7-5.5 3.0/4646=82, 3.0/4643=76...(15) HE2 LYS 27 + QE PHE 23 OK 88 88 100 100 2.2-5.2 1.8/4641=90, 3.0/4652=57...(20) HE2 LYS 58 - QE PHE 23 far 0 88 0 - 6.5-12.0 HE3 LYS 58 - QE PHE 23 far 0 88 0 - 6.8-11.9 Violated in 1 structures by 0.01 A. Peak 4643 from aronoe.peaks (2.21, 7.17, 130.75 ppm; 3.61 A): 1 out of 2 assignments used, quality = 0.94: HG2 ARG 56 + QE PHE 23 OK 94 95 100 100 2.0-4.6 1.8/4646=81, 4648/2.2=47...(14) HB3 GLN 53 - QE PHE 23 far 0 98 0 - 6.5-8.4 Violated in 7 structures by 0.23 A. Peak 4644 from aronoe.peaks (2.03, 7.17, 130.75 ppm; 4.36 A): 1 out of 5 assignments used, quality = 0.99: HB3 ARG 56 + QE PHE 23 OK 99 99 100 100 1.9-4.6 3.0/4646=82, 3.0/4643=76...(19) HB3 GLU 20 - QE PHE 23 far 0 98 0 - 6.0-8.7 HB2 GLN 26 - QE PHE 23 far 0 97 0 - 6.7-8.4 HB3 GLN 26 - QE PHE 23 far 0 97 0 - 7.2-8.5 HB2 LYS 22 - QE PHE 23 far 0 72 0 - 7.4-9.2 Violated in 4 structures by 0.03 A. Peak 4645 from aronoe.peaks (1.75, 7.17, 130.75 ppm; 4.49 A): 1 out of 5 assignments used, quality = 0.59: HB2 ARG 56 + QE PHE 23 OK 59 59 100 100 2.0-5.3 3.0/4646=85, 1.8/4644=81...(18) HB3 ARG 61 - QE PHE 23 far 11 75 15 - 5.5-13.1 HB3 LYS 60 - QE PHE 23 far 9 62 15 - 3.2-10.8 HB3 LYS 58 - QE PHE 23 far 4 84 5 - 5.0-8.7 HB3 LYS 62 - QE PHE 23 far 3 70 5 - 4.3-15.1 Violated in 9 structures by 0.18 A. Peak 4646 from aronoe.peaks (1.46, 7.17, 130.75 ppm; 3.29 A): 1 out of 6 assignments used, quality = 0.98: HG3 ARG 56 + QE PHE 23 OK 98 100 100 98 2.0-3.6 1.8/4643=61, 4649/2.2=47...(11) HG3 LYS 62 - QE PHE 23 far 4 75 5 - 2.2-15.8 HG2 LYS 62 - QE PHE 23 far 4 75 5 - 3.7-14.3 HG3 LYS 60 - QE PHE 23 far 3 59 5 - 4.6-11.0 HG3 LYS 58 - QE PHE 23 far 0 100 0 - 7.0-10.1 HB3 LEU 29 - QE PHE 23 far 0 99 0 - 7.3-9.6 Violated in 10 structures by 0.06 A. Peak 4647 from aronoe.peaks (2.77, 6.95, 128.74 ppm; 4.63 A): 1 out of 1 assignment used, quality = 0.99: HE3 LYS 27 + HZ PHE 23 OK 99 99 100 100 2.0-3.9 4641/2.2=87, 3.0/4657=69...(13) Violated in 0 structures by 0.00 A. Peak 4648 from aronoe.peaks (2.22, 6.95, 128.74 ppm; 4.29 A): 1 out of 2 assignments used, quality = 0.74: HG2 ARG 56 + HZ PHE 23 OK 74 74 100 100 2.0-5.4 1.8/4649=85, 4643/2.2=79...(9) HB3 GLN 53 - HZ PHE 23 far 0 99 0 - 7.2-9.9 Violated in 4 structures by 0.11 A. Peak 4649 from aronoe.peaks (1.45, 6.95, 128.74 ppm; 3.94 A): 1 out of 7 assignments used, quality = 0.99: HG3 ARG 56 + HZ PHE 23 OK 99 99 100 100 1.9-5.0 4646/2.2=82, 1.8/4648=66...(11) HG3 LYS 62 - HZ PHE 23 far 4 88 5 - 3.9-16.4 HG2 LYS 62 - HZ PHE 23 far 4 88 5 - 5.0-16.1 HG2 LYS 60 - HZ PHE 23 far 4 74 5 - 5.4-11.7 HG3 LYS 60 - HZ PHE 23 far 0 76 0 - 5.8-11.8 HG3 LYS 58 - HZ PHE 23 far 0 99 0 - 7.2-11.1 HB3 LEU 29 - HZ PHE 23 far 0 94 0 - 9.7-12.0 Violated in 2 structures by 0.07 A. Peak 4650 from aronoe.peaks (0.66, 7.06, 132.37 ppm; 4.36 A): 2 out of 3 assignments used, quality = 0.95: HB2 ARG 55 + QD PHE 23 OK 92 98 100 94 2.9-5.5 3818/4795=44...(8) HG2 LYS 27 + QD PHE 23 OK 29 65 45 98 5.0-7.2 3.7/4629=65, 3.8/4864=38...(11) QD1 LEU 43 - QD PHE 23 far 0 100 0 - 8.3-10.0 Violated in 4 structures by 0.05 A. Peak 4651 from aronoe.peaks (-0.29, 7.06, 132.37 ppm; 4.24 A): 2 out of 3 assignments used, quality = 0.98: HB3 ARG 55 + QD PHE 23 OK 88 93 100 94 3.6-5.0 1.8/4650=56, 4654/2.2=37...(10) HG2 ARG 55 + QD PHE 23 OK 85 98 95 91 2.9-5.8 3.0/4650=45, 4654/2.2=35...(10) QD1 LEU 19 - QD PHE 23 far 0 96 0 - 6.3-7.1 Violated in 3 structures by 0.03 A. Peak 4652 from aronoe.peaks (1.32, 7.17, 130.75 ppm; 3.73 A): 2 out of 3 assignments used, quality = 0.89: HD3 LYS 27 + QE PHE 23 OK 85 86 100 99 2.0-4.4 3.0/4641=55, 1.8/4209=44...(16) QG2 THR 59 + QE PHE 23 OK 26 77 55 61 2.8-7.9 4838/4673=29...(4) HG2 ARG 34 - QE PHE 23 far 0 67 0 - 9.7-12.3 Violated in 2 structures by 0.04 A. Peak 4653 from aronoe.peaks (0.64, 7.17, 130.75 ppm; 3.87 A): 2 out of 3 assignments used, quality = 0.98: HB2 ARG 55 + QE PHE 23 OK 92 99 100 93 2.0-5.2 4650/2.2=36, 1.8/4654=35...(9) HG2 LYS 27 + QE PHE 23 OK 71 95 75 100 4.2-6.2 3.7/4639=51, 3.8/4641=48...(17) QD1 LEU 43 - QE PHE 23 far 0 96 0 - 9.0-11.3 Violated in 3 structures by 0.06 A. Peak 4654 from aronoe.peaks (-0.30, 7.17, 130.75 ppm; 4.13 A): 2 out of 3 assignments used, quality = 0.91: HB3 ARG 55 + QE PHE 23 OK 72 80 100 91 2.9-4.6 1.8/4653=47, ~4650=35...(8) HG2 ARG 55 + QE PHE 23 OK 67 89 90 84 3.8-6.2 3.0/4653=37, 4651/2.2=33...(9) QD1 LEU 19 - QE PHE 23 far 0 84 0 - 7.3-8.5 Violated in 3 structures by 0.03 A. Peak 4655 from aronoe.peaks (-0.41, 7.17, 130.75 ppm; 4.29 A): 0 out of 0 assignments used, quality = 0.00: Peak 4656 from aronoe.peaks (1.30, 6.95, 128.74 ppm; 3.85 A): 2 out of 2 assignments used, quality = 0.78: HD3 LYS 27 + HZ PHE 23 OK 58 58 100 100 2.2-4.6 1.8/4657=61, 4652/2.2=50...(15) QG2 THR 59 + HZ PHE 23 OK 49 95 65 79 2.7-8.3 4838/4674=43, 4504=41 Violated in 4 structures by 0.08 A. Peak 4657 from aronoe.peaks (1.23, 6.95, 128.74 ppm; 4.37 A): 1 out of 1 assignment used, quality = 0.99: HD2 LYS 27 + HZ PHE 23 OK 99 99 100 100 2.4-5.6 4209/2.2=60, 3.0/4647=58...(15) Violated in 7 structures by 0.27 A. Peak 4658 from aronoe.peaks (0.64, 6.95, 128.74 ppm; 4.34 A): 2 out of 2 assignments used, quality = 0.90: HG2 LYS 27 + HZ PHE 23 OK 69 99 70 100 4.6-6.5 2.9/4657=62, 4208/2.2=52...(13) HB2 ARG 55 + HZ PHE 23 OK 67 93 100 72 2.9-5.8 4653/2.2=45, ~4654=28...(5) Violated in 9 structures by 0.08 A. Peak 4659 from aronoe.peaks (4.36, 7.31, 120.87 ppm; 4.49 A): 1 out of 1 assignment used, quality = 0.82: HA LYS 22 + HD2 HIS 25 OK 82 98 85 98 2.1-6.7 4146=70, 3.0/4661=64...(6) Violated in 8 structures by 0.48 A. Peak 4660 from aronoe.peaks (8.15, 7.31, 120.87 ppm; 4.76 A): 0 out of 1 assignment used, quality = 0.00: H SER 24 - HD2 HIS 25 poor 17 65 65 41 4.0-7.8 82/6.0=26, 967/4659=19 Violated in 16 structures by 1.40 A. Peak 4661 from aronoe.peaks (2.05, 7.31, 120.87 ppm; 4.44 A): 1 out of 5 assignments used, quality = 0.28: HB2 LYS 22 + HD2 HIS 25 OK 28 99 45 62 4.5-9.5 3.0/4659=62 HB2 GLN 26 - HD2 HIS 25 far 7 68 10 - 4.9-8.6 HB3 GLN 26 - HD2 HIS 25 far 3 68 5 - 3.2-8.1 HB3 GLU 20 - HD2 HIS 25 far 0 99 0 - 7.5-13.4 HB2 GLN 63 - HD2 HIS 25 far 0 60 0 - 9.1-29.7 Violated in 20 structures by 2.13 A. Peak 4662 from aronoe.peaks (7.51, 7.13, 133.55 ppm; 3.53 A): 1 out of 4 assignments used, quality = 0.93: H TYR 28 + QD TYR 28 OK 93 98 100 95 2.0-3.1 601=55, 3.0/1691=53...(5) QE PHE 52 - QD TYR 28 far 0 89 0 - 5.9-7.7 HE22 GLN 53 - QD TYR 28 far 0 97 0 - 6.0-12.0 HE21 GLN 63 - QD TYR 28 far 0 83 0 - 7.0-24.4 Violated in 0 structures by 0.00 A. Peak 4663 from aronoe.peaks (8.14, 7.13, 133.55 ppm; 4.00 A): 1 out of 2 assignments used, quality = 0.81: H LYS 27 + QD TYR 28 OK 81 85 100 96 3.6-4.1 4.0/4666=56, 4199=54...(7) H SER 24 - QD TYR 28 far 0 96 0 - 9.8-10.7 Violated in 12 structures by 0.02 A. Peak 4665 from aronoe.peaks (2.96, 6.79, 117.71 ppm; 4.13 A): 1 out of 5 assignments used, quality = 0.92: HB2 TYR 28 + QE TYR 28 OK 92 96 100 96 4.4-4.4 4.4=80, 1.8/4669=64, ~1691=38 HE3 LYS 49 - QE TYR 28 poor 16 78 20 - 3.5-12.5 HE2 LYS 49 - QE TYR 28 far 8 78 10 - 4.5-13.2 HE2 LYS 60 - QE TYR 28 far 0 70 0 - 7.2-17.8 HE3 LYS 60 - QE TYR 28 far 0 68 0 - 7.6-17.5 Violated in 20 structures by 0.27 A. Peak 4666 from aronoe.peaks (1.57, 7.13, 133.55 ppm; 3.32 A): 1 out of 7 assignments used, quality = 0.96: HB3 LYS 27 + QD TYR 28 OK 96 99 100 98 2.0-2.5 1.8/4667=58, 4670/2.2=51...(12) HG2 LYS 49 - QD TYR 28 far 10 100 10 - 4.2-9.9 HG3 ARG 34 - QD TYR 28 far 0 87 0 - 7.3-9.5 QB ALA 31 - QD TYR 28 far 0 97 0 - 7.6-9.4 HG3 ARG 61 - QD TYR 28 far 0 65 0 - 7.9-17.3 HG2 ARG 61 - QD TYR 28 far 0 63 0 - 9.1-18.0 HG LEU 37 - QD TYR 28 far 0 99 0 - 10.0-12.7 Violated in 0 structures by 0.00 A. Peak 4667 from aronoe.peaks (1.44, 7.13, 133.55 ppm; 3.78 A): 1 out of 5 assignments used, quality = 0.76: HB2 LYS 27 + QD TYR 28 OK 76 76 100 100 2.4-4.1 1.8/4666=85, 4.1/4662=46...(13) HG3 ARG 56 - QD TYR 28 far 14 96 15 - 3.8-7.8 HB3 LEU 29 - QD TYR 28 far 0 83 0 - 6.1-6.6 HG2 LYS 60 - QD TYR 28 far 0 92 0 - 9.7-17.7 HG3 LYS 60 - QD TYR 28 far 0 93 0 - 9.7-16.9 Violated in 5 structures by 0.03 A. Peak 4668 from aronoe.peaks (2.85, 6.79, 117.71 ppm; 3.78 A): 2 out of 2 assignments used, quality = 0.55: HD3 ARG 56 + QE TYR 28 OK 43 100 75 58 3.0-8.0 1.8/4669=21, 3.0/4671=17...(7) HE2 LYS 27 + QE TYR 28 OK 21 96 40 56 3.0-6.9 5.2/4670=31, 5.2/4671=21...(5) Violated in 15 structures by 0.61 A. Peak 4669 from aronoe.peaks (2.73, 6.79, 117.71 ppm; 3.64 A): 2 out of 2 assignments used, quality = 0.88: HB3 TYR 28 + QE TYR 28 OK 83 93 100 90 4.4-4.4 1.8/4665=60, 4.4=55...(5) HD2 ARG 56 + QE TYR 28 OK 30 84 50 72 2.9-6.6 1.8/4668=46, 3.0/4671=16...(8) Violated in 16 structures by 0.41 A. Peak 4670 from aronoe.peaks (1.57, 6.79, 117.71 ppm; 3.87 A): 1 out of 6 assignments used, quality = 0.97: HB3 LYS 27 + QE TYR 28 OK 97 98 100 99 2.6-3.3 4666/2.2=81, 1.8/4671=51...(10) HG2 LYS 49 - QE TYR 28 far 10 100 10 - 4.7-11.8 HG3 ARG 61 - QE TYR 28 far 0 65 0 - 6.8-17.8 HG2 ARG 61 - QE TYR 28 far 0 62 0 - 8.0-17.6 QB ALA 31 - QE TYR 28 far 0 97 0 - 8.6-11.1 HG3 ARG 34 - QE TYR 28 far 0 86 0 - 9.1-11.6 Violated in 0 structures by 0.00 A. Peak 4671 from aronoe.peaks (1.44, 6.79, 117.71 ppm; 3.92 A): 2 out of 7 assignments used, quality = 0.83: HB2 LYS 27 + QE TYR 28 OK 75 75 100 99 2.6-4.2 1.8/4670=76, 4667/2.2=72...(8) HG3 ARG 56 + QE TYR 28 OK 33 95 50 69 2.8-7.5 3.0/4668=41, 3.0/1707=19...(7) HG3 LYS 60 - QE TYR 28 far 0 93 0 - 8.0-16.2 HB3 LEU 29 - QE TYR 28 far 0 82 0 - 8.0-8.7 HG2 LYS 60 - QE TYR 28 far 0 91 0 - 8.1-16.5 HG3 LYS 62 - QE TYR 28 far 0 98 0 - 9.0-20.5 HG2 LYS 62 - QE TYR 28 far 0 98 0 - 9.3-20.4 Violated in 5 structures by 0.02 A. Peak 4672 from aronoe.peaks (1.19, 6.79, 117.71 ppm; 4.54 A): 0 out of 0 assignments used, quality = 0.00: Peak 4673 from aronoe.peaks (7.75, 6.97, 121.06 ppm; 4.07 A): 1 out of 2 assignments used, quality = 0.93: QD PHE 52 + HE3 TRP 51 OK 93 93 100 100 2.0-2.3 4699=73, 2.2/4701=63...(13) H ARG 56 - HE3 TRP 51 far 9 93 10 - 5.4-6.6 Violated in 0 structures by 0.00 A. Peak 4674 from aronoe.peaks (3.51, 6.97, 121.06 ppm; 4.76 A): 2 out of 2 assignments used, quality = 0.99: HB2 TRP 51 + HE3 TRP 51 OK 96 96 100 100 2.5-2.7 4.2=100 HB3 PHE 52 + HE3 TRP 51 OK 65 65 100 100 4.0-4.7 2.5/4673=83, 3.0/4675=75...(5) Violated in 0 structures by 0.00 A. Peak 4675 from aronoe.peaks (3.76, 6.97, 121.06 ppm; 4.19 A): 1 out of 3 assignments used, quality = 0.96: HA PHE 52 + HE3 TRP 51 OK 96 96 100 100 2.2-2.8 4794=87, 2.9/254=59...(14) HA ILE 50 - HE3 TRP 51 far 0 90 0 - 7.1-7.8 HA ARG 34 - HE3 TRP 51 far 0 57 0 - 9.0-9.9 Violated in 0 structures by 0.00 A. Peak 4677 from aronoe.peaks (1.97, 7.14, 127.06 ppm; 3.06 A): 1 out of 2 assignments used, quality = 0.79: HD3 ARG 55 + HD1 TRP 51 OK 79 99 100 80 3.9-4.6 4619/2.6=35...(11) HB ILE 50 - HD1 TRP 51 far 0 59 0 - 5.6-6.2 Violated in 20 structures by 1.29 A. Peak 4678 from aronoe.peaks (1.02, 7.14, 127.06 ppm; 4.07 A): 1 out of 3 assignments used, quality = 0.98: QG2 VAL 16 + HD1 TRP 51 OK 98 99 100 99 3.6-4.1 4047/2.6=58, 4046=53...(12) QG1 VAL 16 - HD1 TRP 51 far 5 91 5 - 5.6-6.4 QG1 VAL 48 - HD1 TRP 51 far 0 79 0 - 6.2-7.2 Violated in 0 structures by 0.00 A. Peak 4679 from aronoe.peaks (-0.27, 7.14, 127.06 ppm; 3.87 A): 2 out of 3 assignments used, quality = 0.96: QD1 LEU 19 + HD1 TRP 51 OK 94 99 100 96 2.6-3.6 4704/4677=53, 4827=38...(11) HG2 ARG 55 + HD1 TRP 51 OK 36 97 40 93 4.1-6.6 3.0/4677=73, ~4619=28...(9) HB3 ARG 55 - HD1 TRP 51 far 0 99 0 - 5.4-8.1 Violated in 0 structures by 0.00 A. Peak 4680 from aronoe.peaks (-0.27, 6.97, 121.06 ppm; 4.79 A): 3 out of 3 assignments used, quality = 0.99: QD1 LEU 19 + HE3 TRP 51 OK 90 92 100 97 4.1-4.9 2.1/4101=81, 4827/5.1=38...(8) HG2 ARG 55 + HE3 TRP 51 OK 75 89 100 84 3.0-4.6 3820/4675=27...(11) HB3 ARG 55 + HE3 TRP 51 OK 62 94 100 66 3.3-5.3 3820/4675=28...(10) Violated in 0 structures by 0.00 A. Peak 4681 from aronoe.peaks (8.41, 6.44, 123.43 ppm; 4.64 A): 1 out of 3 assignments used, quality = 1.00: H GLU 20 + HH2 TRP 51 OK 100 100 100 100 3.1-3.9 4126=91, 3.0/4685=90...(11) H LEU 64 - HH2 TRP 51 far 3 69 5 - 6.0-24.5 H GLU 67 - HH2 TRP 51 far 0 96 0 - 9.5-24.0 Violated in 0 structures by 0.00 A. Peak 4684 from aronoe.peaks (4.23, 7.25, 114.03 ppm; 4.21 A): 1 out of 2 assignments used, quality = 0.99: HA GLU 20 + HZ2 TRP 51 OK 99 99 100 100 3.7-4.6 4685/2.5=89, 4129=66...(9) HA ARG 61 - HZ2 TRP 51 far 4 87 5 - 5.4-17.8 Violated in 12 structures by 0.10 A. Peak 4685 from aronoe.peaks (4.22, 6.44, 123.43 ppm; 3.09 A): 1 out of 3 assignments used, quality = 0.98: HA GLU 20 + HH2 TRP 51 OK 98 99 100 99 2.0-2.4 4131=75, 4684/2.5=35...(11) HA ARG 61 - HH2 TRP 51 far 0 79 0 - 5.6-17.0 HA GLU 18 - HH2 TRP 51 far 0 61 0 - 7.4-8.1 Violated in 0 structures by 0.00 A. Peak 4686 from aronoe.peaks (3.08, 6.44, 123.43 ppm; 4.02 A): 1 out of 1 assignment used, quality = 0.99: HB3 PHE 23 + HH2 TRP 51 OK 99 99 100 100 3.8-4.8 1.8/4721=78, 4167/2.4=62...(7) Violated in 14 structures by 0.22 A. Peak 4688 from aronoe.peaks (2.45, 7.25, 114.03 ppm; 3.36 A): 1 out of 3 assignments used, quality = 0.89: HG2 GLU 20 + HZ2 TRP 51 OK 89 97 95 97 2.3-5.6 4132=41, 1.8/4133=39...(11) HG3 MET 11 - HZ2 TRP 51 far 0 55 0 - 6.8-10.9 HB2 ASN 54 - HZ2 TRP 51 far 0 78 0 - 8.0-9.8 Violated in 5 structures by 0.16 A. Peak 4689 from aronoe.peaks (1.99, 7.25, 114.03 ppm; 3.96 A): 1 out of 8 assignments used, quality = 0.80: HD3 ARG 55 + HZ2 TRP 51 OK 80 88 100 90 2.7-4.8 4619/2.8=32, 4836=31...(11) HB3 GLN 63 - HZ2 TRP 51 far 5 97 5 - 4.7-22.7 HB2 MET 11 - HZ2 TRP 51 far 0 97 0 - 6.9-9.1 HB2 GLU 18 - HZ2 TRP 51 far 0 97 0 - 7.5-8.6 HB2 ARG 21 - HZ2 TRP 51 far 0 78 0 - 8.1-9.2 HB3 GLU 18 - HZ2 TRP 51 far 0 97 0 - 8.3-9.7 HB3 ARG 21 - HZ2 TRP 51 far 0 85 0 - 9.6-10.6 HD3 LYS 22 - HZ2 TRP 51 far 0 64 0 - 9.8-12.9 Violated in 4 structures by 0.06 A. Peak 4690 from aronoe.peaks (1.04, 7.25, 114.03 ppm; 3.35 A): 2 out of 2 assignments used, quality = 0.98: QG1 VAL 16 + HZ2 TRP 51 OK 95 97 100 98 2.8-3.8 4043=49, 4048/2.8=37...(15) QG2 VAL 16 + HZ2 TRP 51 OK 55 58 100 94 2.0-3.8 2.1/4043=45, 3.2/4727=33...(16) Violated in 0 structures by 0.00 A. Peak 4691 from aronoe.peaks (2.47, 6.44, 123.43 ppm; 4.01 A): 1 out of 4 assignments used, quality = 0.96: HG2 GLU 20 + HH2 TRP 51 OK 96 97 100 100 1.9-4.7 1322/4685=61...(9) HG3 MET 11 - HH2 TRP 51 far 0 94 0 - 8.3-12.6 HG3 GLN 15 - HH2 TRP 51 far 0 93 0 - 8.6-12.5 HB2 ASN 54 - HH2 TRP 51 far 0 99 0 - 8.6-10.1 Violated in 1 structures by 0.04 A. Peak 4692 from aronoe.peaks (2.19, 6.44, 123.43 ppm; 4.65 A): 1 out of 2 assignments used, quality = 0.74: HB2 GLU 20 + HH2 TRP 51 OK 74 74 100 100 2.9-4.4 3.0/4685=90, 3.0/4691=76...(11) HG2 ARG 56 - HH2 TRP 51 far 0 95 0 - 8.4-10.8 Violated in 0 structures by 0.00 A. Peak 4693 from aronoe.peaks (2.00, 6.44, 123.43 ppm; 4.13 A): 0 out of 4 assignments used, quality = 0.00: HB3 GLN 63 - HH2 TRP 51 far 5 97 5 - 4.7-22.1 HB2 GLU 18 - HH2 TRP 51 far 0 96 0 - 7.9-8.7 HB3 GLU 18 - HH2 TRP 51 far 0 96 0 - 8.5-9.5 HB2 MET 11 - HH2 TRP 51 far 0 97 0 - 8.7-10.9 Violated in 20 structures by 2.95 A. Peak 4694 from aronoe.peaks (0.70, 7.25, 114.03 ppm; 4.64 A): 1 out of 3 assignments used, quality = 0.86: HB2 LEU 19 + HZ2 TRP 51 OK 86 95 100 91 2.8-4.2 4.4/4125=45...(8) QD1 LEU 41 - HZ2 TRP 51 far 12 78 15 - 5.8-7.9 QD1 ILE 17 - HZ2 TRP 51 far 10 99 10 - 5.9-8.2 Violated in 0 structures by 0.00 A. Peak 4695 from aronoe.peaks (-0.28, 7.25, 114.03 ppm; 4.44 A): 3 out of 3 assignments used, quality = 1.00: QD1 LEU 19 + HZ2 TRP 51 OK 98 99 100 99 3.2-4.2 3.1/4694=58...(13) HG2 ARG 55 + HZ2 TRP 51 OK 95 98 100 97 3.2-5.0 3.0/4689=72, ~4619=35...(13) HB3 ARG 55 + HZ2 TRP 51 OK 45 99 55 83 4.8-6.4 3.7/4689=62, 4696/2.5=20...(8) Violated in 0 structures by 0.00 A. Peak 4696 from aronoe.peaks (-0.28, 6.44, 123.43 ppm; 3.99 A): 3 out of 3 assignments used, quality = 0.99: QD1 LEU 19 + HH2 TRP 51 OK 84 99 100 84 4.4-5.2 51/4681=28, ~4694=27...(10) HG2 ARG 55 + HH2 TRP 51 OK 83 98 95 89 2.8-5.6 ~4689=31, ~4630=25...(14) HB3 ARG 55 + HH2 TRP 51 OK 57 99 100 57 4.4-5.4 4651/4636=16...(9) Violated in 2 structures by 0.02 A. Peak 4697 from aronoe.peaks (-0.40, 6.44, 123.43 ppm; 4.33 A): 0 out of 0 assignments used, quality = 0.00: Peak 4698 from aronoe.peaks (7.05, 7.75, 131.45 ppm; 4.46 A): 1 out of 2 assignments used, quality = 1.00: QD PHE 23 + QD PHE 52 OK 100 100 100 100 2.4-3.8 4630/2.2=92, 4631=66...(14) HD2 HIS 10 - QD PHE 52 far 0 95 0 - 8.1-16.8 Violated in 0 structures by 0.00 A. Peak 4699 from aronoe.peaks (6.96, 7.75, 131.45 ppm; 4.09 A): 2 out of 3 assignments used, quality = 0.96: HE3 TRP 51 + QD PHE 52 OK 94 95 100 100 2.0-2.3 4673=90, 4701/2.2=61...(13) HZ PHE 23 + QD PHE 52 OK 21 97 25 87 4.3-6.3 3.8/4698=46, 2.2/4635=36...(8) HE21 GLN 53 - QD PHE 52 far 0 73 0 - 6.5-9.8 Violated in 0 structures by 0.00 A. Peak 4700 from aronoe.peaks (7.07, 7.53, 131.87 ppm; 3.81 A): 1 out of 2 assignments used, quality = 0.98: QD PHE 23 + QE PHE 52 OK 98 98 100 100 2.8-3.9 4630=97, 4631/2.2=52...(15) HD2 HIS 10 - QE PHE 52 far 0 100 0 - 8.8-16.8 Violated in 3 structures by 0.01 A. Peak 4701 from aronoe.peaks (6.96, 7.53, 131.87 ppm; 4.39 A): 1 out of 2 assignments used, quality = 0.98: HE3 TRP 51 + QE PHE 52 OK 98 100 100 98 2.9-3.5 4673/2.2=79...(8) HZ PHE 23 - QE PHE 52 far 0 84 0 - 5.9-7.5 Violated in 0 structures by 0.00 A. Peak 4702 from aronoe.peaks (3.90, 7.53, 131.87 ppm; 4.14 A): 1 out of 2 assignments used, quality = 0.89: HA LYS 27 + QE PHE 52 OK 89 100 100 90 3.9-5.3 4629/4630=61...(5) HA THR 46 - QE PHE 52 far 0 100 0 - 9.6-10.0 Violated in 16 structures by 0.51 A. Peak 4703 from aronoe.peaks (4.76, 7.53, 131.87 ppm; 3.92 A): 1 out of 1 assignment used, quality = 0.96: HA PHE 23 + QE PHE 52 OK 96 100 100 96 2.0-3.3 4539/4630=62...(8) Violated in 0 structures by 0.00 A. Peak 4704 from aronoe.peaks (1.00, 7.75, 131.45 ppm; 3.85 A): 1 out of 2 assignments used, quality = 1.00: QG1 VAL 48 + QD PHE 52 OK 100 100 100 100 2.5-3.1 4792=96, 4731/2.2=71...(10) QG2 VAL 16 - QD PHE 52 far 0 95 0 - 6.9-7.7 Violated in 0 structures by 0.00 A. Peak 4705 from aronoe.peaks (0.93, 7.53, 131.87 ppm; 3.77 A): 2 out of 4 assignments used, quality = 0.98: QD2 LEU 37 + QE PHE 52 OK 91 93 100 98 2.1-5.1 4391=73, 4374/4707=44...(10) QG2 VAL 48 + QE PHE 52 OK 78 82 100 95 3.4-4.2 2.1/4731=70, ~4792=42...(9) QG2 ILE 50 - QE PHE 52 far 0 86 0 - 7.6-8.3 QD1 LEU 64 - QE PHE 52 far 0 68 0 - 9.3-23.5 Violated in 1 structures by 0.00 A. Peak 4706 from aronoe.peaks (-0.30, 7.75, 131.45 ppm; 4.72 A): 3 out of 3 assignments used, quality = 0.98: QD1 LEU 19 + QD PHE 52 OK 88 89 100 99 4.6-5.3 2.1/4098=78, ~4099=67...(10) HG2 ARG 55 + QD PHE 52 OK 67 93 100 71 4.6-6.0 4651/4698=27...(7) HB3 ARG 55 + QD PHE 52 OK 48 85 80 71 4.9-6.6 1.8/3570=28...(7) Violated in 0 structures by 0.00 A. Peak 4707 from aronoe.peaks (0.53, 7.53, 131.87 ppm; 3.60 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 19 + QE PHE 52 OK 100 100 100 100 1.9-3.2 4099=100, 4098/2.2=51...(15) Violated in 0 structures by 0.00 A. Peak 4708 from aronoe.peaks (0.17, 7.53, 131.87 ppm; 4.06 A): 1 out of 1 assignment used, quality = 0.80: QD1 LEU 29 + QE PHE 52 OK 80 80 100 99 2.4-3.1 2.1/4724=59, 4248=49...(14) Violated in 0 structures by 0.00 A. Peak 4709 from aronoe.peaks (4.35, 7.15, 132.89 ppm; 3.56 A): 1 out of 3 assignments used, quality = 0.90: HA ASN 54 + QD TYR 57 OK 90 100 95 95 3.1-5.2 3834/2.5=55, 3832/2.5=52...(6) HA LEU 68 - QD TYR 57 far 5 97 5 - 4.4-22.7 HA LEU 64 - QD TYR 57 far 0 80 0 - 7.0-19.6 Violated in 18 structures by 0.58 A. Peak 4710 from aronoe.peaks (4.12, 7.15, 132.89 ppm; 4.17 A): 1 out of 1 assignment used, quality = 0.95: HA LYS 58 + QD TYR 57 OK 95 97 100 98 2.9-3.4 3.0/4717=65, 3.0/4716=58...(7) Violated in 0 structures by 0.00 A. Peak 4712 from aronoe.peaks (3.15, 6.82, 117.88 ppm; 4.10 A): 1 out of 3 assignments used, quality = 0.85: HB3 TYR 57 + QE TYR 57 OK 85 90 100 94 4.4-4.4 4.4=79, ~4614=42...(4) HD2 ARG 61 - QE TYR 57 far 5 98 5 - 3.7-15.7 HD3 ARG 61 - QE TYR 57 far 5 98 5 - 4.7-16.1 Violated in 20 structures by 0.31 A. 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 100 100 100 100 4.4-4.4 4.4=100 Violated in 0 structures by 0.00 A. Peak 4714 from aronoe.peaks (2.50, 7.15, 132.89 ppm; 4.74 A): 1 out of 1 assignment used, quality = 0.70: HB2 ASN 54 + QD TYR 57 OK 70 75 95 99 4.4-6.3 3.0/4709=84, ~3834=46...(5) Violated in 17 structures by 0.56 A. Peak 4715 from aronoe.peaks (2.37, 7.15, 132.89 ppm; 4.85 A): 0 out of 3 assignments used, quality = 0.00: HG3 GLN 63 - QD TYR 57 far 5 96 5 - 6.3-19.0 HG3 GLN 53 - QD TYR 57 lone 1 100 80 2 4.6-8.7 HG2 GLN 63 - QD TYR 57 far 0 94 0 - 7.2-19.1 Violated in 15 structures by 0.79 A. Peak 4716 from aronoe.peaks (1.80, 7.15, 132.89 ppm; 4.34 A): 1 out of 5 assignments used, quality = 0.99: HB2 LYS 58 + QD TYR 57 OK 99 100 100 99 4.4-4.6 1.8/4717=87, 2.8/4718=66...(5) HB3 LYS 62 - QD TYR 57 far 11 72 15 - 5.1-16.0 HB2 LYS 62 - QD TYR 57 far 9 59 15 - 4.3-16.7 HB3 LYS 60 - QD TYR 57 far 4 80 5 - 4.8-11.3 HB2 ARG 61 - QD TYR 57 far 0 95 0 - 7.1-13.6 Violated in 20 structures by 0.11 A. Peak 4717 from aronoe.peaks (1.71, 7.15, 132.89 ppm; 3.92 A): 1 out of 4 assignments used, quality = 0.70: HB3 LYS 58 + QD TYR 57 OK 70 72 100 97 2.9-4.1 1.8/4716=64, 2.8/4718=55...(6) HB2 ARG 56 - QD TYR 57 far 0 92 0 - 5.9-7.4 HB3 ARG 61 - QD TYR 57 far 0 82 0 - 6.0-13.5 HD2 LYS 49 - QD TYR 57 far 0 99 0 - 9.7-14.2 Violated in 14 structures by 0.07 A. Peak 4718 from aronoe.peaks (1.45, 7.15, 132.89 ppm; 4.22 A): 1 out of 6 assignments used, quality = 0.97: HG3 LYS 58 + QD TYR 57 OK 97 99 100 98 2.0-4.3 2.8/4717=68, 2.8/4716=61...(5) HG3 LYS 60 - QD TYR 57 far 11 75 15 - 4.4-11.5 HG3 LYS 62 - QD TYR 57 far 9 88 10 - 5.3-15.6 HG2 LYS 60 - QD TYR 57 far 4 72 5 - 5.3-10.8 HG3 ARG 56 - QD TYR 57 far 0 100 0 - 5.9-8.5 HG2 LYS 62 - QD TYR 57 far 0 88 0 - 6.1-16.5 Violated in 1 structures by 0.00 A. Peak 4719 from aronoe.peaks (0.54, 7.14, 127.06 ppm; 6.00 A): 1 out of 1 assignment used, quality = 0.98: QD2 LEU 19 + HD1 TRP 51 OK 98 98 100 100 3.7-4.8 2.1/4827=91...(8) Violated in 0 structures by 0.00 A. Peak 4720 from aronoe.peaks (2.41, 6.44, 123.43 ppm; 3.87 A): 2 out of 4 assignments used, quality = 0.98: HG3 GLU 20 + HH2 TRP 51 OK 97 97 100 100 2.0-4.2 1.8/4691=71...(9) HD2 ARG 55 + HH2 TRP 51 OK 37 98 45 85 3.2-6.1 ~4689=42, ~4630=31...(9) HG2 MET 11 - HH2 TRP 51 far 0 61 0 - 8.8-12.6 HG3 GLU 18 - HH2 TRP 51 far 0 98 0 - 9.1-10.6 Violated in 0 structures by 0.00 A. Peak 4721 from aronoe.peaks (3.14, 6.44, 123.43 ppm; 3.94 A): 1 out of 3 assignments used, quality = 0.91: HB2 PHE 23 + HH2 TRP 51 OK 91 92 100 100 3.3-4.9 1.8/4686=73...(8) HD3 ARG 61 - HH2 TRP 51 far 0 99 0 - 6.8-20.3 HD2 ARG 61 - HH2 TRP 51 far 0 99 0 - 7.1-20.6 Violated in 3 structures by 0.06 A. Peak 4723 from aronoe.peaks (3.08, 5.72, 120.81 ppm; 4.82 A): 1 out of 2 assignments used, quality = 0.99: HB3 PHE 23 + HZ3 TRP 51 OK 99 99 100 100 2.0-4.2 4167=98, 4686/2.4=84...(9) HB2 TYR 57 - HZ3 TRP 51 far 0 84 0 - 9.8-11.3 Violated in 0 structures by 0.00 A. Peak 4724 from aronoe.peaks (0.46, 7.53, 131.87 ppm; 4.58 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 29 + QE PHE 52 OK 100 100 100 100 2.4-3.8 2.1/4708=85, 4647/2.2=69...(14) Violated in 0 structures by 0.00 A. Peak 4725 from aronoe.peaks (1.86, 6.97, 121.06 ppm; 5.33 A): 0 out of 6 assignments used, quality = 0.00: HG LEU 41 - HE3 TRP 51 far 0 92 0 - 7.0-9.9 HB2 LYS 60 - HE3 TRP 51 far 0 72 0 - 8.4-16.7 HB3 LYS 49 - HE3 TRP 51 far 0 67 0 - 8.6-8.9 HB3 MET 11 - HE3 TRP 51 far 0 72 0 - 8.7-11.5 HG2 ARG 21 - HE3 TRP 51 far 0 97 0 - 9.4-11.2 HB3 ARG 34 - HE3 TRP 51 far 0 97 0 - 9.9-11.1 Violated in 20 structures by 1.71 A. Peak 4726 from aronoe.peaks (7.55, 6.97, 121.06 ppm; 5.02 A): 1 out of 4 assignments used, quality = 0.67: QE PHE 52 + HE3 TRP 51 OK 67 67 100 100 2.9-3.5 2.2/4673=92, 4701=56...(8) H TYR 57 - HE3 TRP 51 far 0 91 0 - 7.9-9.1 HE21 GLN 63 - HE3 TRP 51 far 0 74 0 - 8.1-24.7 H GLU 18 - HE3 TRP 51 far 0 97 0 - 9.0-9.9 Violated in 0 structures by 0.00 A. Peak 4727 from aronoe.peaks (3.24, 7.25, 114.03 ppm; 4.46 A): 1 out of 2 assignments used, quality = 0.93: HA VAL 16 + HZ2 TRP 51 OK 93 94 100 99 3.4-5.3 3.2/4043=64, 4616/2.8=58...(11) HD3 ARG 21 - HZ2 TRP 51 far 0 99 0 - 7.6-11.0 Violated in 7 structures by 0.11 A. Peak 4728 from aronoe.peaks (8.95, 7.75, 131.45 ppm; 4.39 A): 1 out of 1 assignment used, quality = 0.97: H PHE 52 + QD PHE 52 OK 97 97 100 100 1.9-2.2 747=96, 2605/2.5=76...(11) Violated in 0 structures by 0.00 A. Peak 4729 from aronoe.peaks (4.02, 7.75, 131.45 ppm; 4.56 A): 1 out of 2 assignments used, quality = 0.96: HA TRP 51 + QD PHE 52 OK 96 99 100 96 4.7-4.8 3.6/747=69, 4.8/4673=47...(7) HB2 SER 30 - QD PHE 52 far 0 93 0 - 9.4-11.2 Violated in 20 structures by 0.17 A. Peak 4730 from aronoe.peaks (0.78, 7.53, 131.87 ppm; 4.54 A): 0 out of 2 assignments used, quality = 0.00: QG2 ILE 17 - QE PHE 52 far 0 75 0 - 8.0-9.2 QD1 ILE 50 - QE PHE 52 far 0 93 0 - 8.5-9.4 Violated in 20 structures by 3.30 A. Peak 4731 from aronoe.peaks (1.00, 7.53, 131.87 ppm; 3.73 A): 1 out of 2 assignments used, quality = 0.99: QG1 VAL 48 + QE PHE 52 OK 99 100 100 99 2.1-2.7 4567=86, 4792/2.2=69...(9) QG2 VAL 16 - QE PHE 52 far 0 93 0 - 6.5-7.5 Violated in 0 structures by 0.00 A. Average quality of peak assignments : 0.972 Average number of used assignments : 1.697 Average rank of reference assignment: 1.100 Peaks with increased upper limit : 0 Peaks with decreased upper limit : 0 Protons used in less than 30% of expected peaks: Peak observation distance: 5.23 A Atom Residue Shift Peaks Used Expect Peaks: selected : 4216 in nnoeabs.peaks : 950 in cnoeabs.peaks : 3098 in aronoe.peaks : 168 assigned : 4174 unassigned : 42 without assignment possibility : 21 with violation below 0.5 A : 0 with violation between 0.5 and 3.0 A : 13 with violation above 3.0 A : 8 in nnoeabs.peaks : 4 in cnoeabs.peaks : 30 in aronoe.peaks : 8 with diagonal assignment : 485 Cross peaks: with off-diagonal assignment : 3689 with unique assignment : 2210 with short-range assignment |i-j|<=1: 2787 with medium-range assignment 1<|i-j|<5 : 579 with long-range assignment |i-j|>=5: 323 Comparison with reference assignment: Cross peaks with reference assignment : 2902 with identical reference assignment : 1660 with compatible reference assignment : 2817 with incompatible reference assignment : 2 with additional reference assignment : 5 with additional assignment : 870