data_AVS_bmrb_pdb_report_6528 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6528 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _AVS_analysis.Assembly_ID _AVS_analysis.Entity_assembly_ID _AVS_analysis.Entity_ID _AVS_analysis.Comp_index_ID _AVS_analysis.Comp_ID _AVS_analysis.Comp_overall_assignment_score _AVS_analysis.Comp_typing_score _AVS_analysis.Comp_SRO_score _AVS_analysis.Comp_1H_shifts_analysis_status _AVS_analysis.Comp_13C_shifts_analysis_status _AVS_analysis.Comp_15N_shifts_analysis_status _AVS_analysis.SRO_rule_break _AVS_analysis.SRO_rule_break_probability 6528 1 1 1 1 6 GLU Anomalous Consistent Suspicious Consistent Anomalous Consistent "CD > C" 0.9907 6528 1 1 1 1 11 GLU Anomalous Consistent Suspicious Consistent Anomalous Consistent "CD > C" 0.9907 6528 1 1 1 1 13 GLU Anomalous Consistent Suspicious Consistent Anomalous Consistent "CD > C" 0.9907 6528 1 1 1 1 17 GLU Anomalous Consistent Suspicious Consistent Anomalous Consistent "CD > C" 0.9907 6528 1 1 1 1 18 GLU Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6528 1 1 1 1 24 GLU Anomalous Consistent Suspicious Consistent Anomalous Consistent "CD > C" 0.9907 6528 1 1 1 1 28 GLU Anomalous Consistent Suspicious Consistent Anomalous Consistent "CD > C" 0.9907 6528 1 1 1 1 29 GLU Anomalous Consistent Suspicious Consistent Anomalous Consistent "CD > C" 0.9907 6528 1 1 1 1 34 TYR Anomalous Suspicious Consistent Consistent Anomalous Indeterminable . . 6528 1 1 1 1 35 PRO Anomalous Suspicious Suspicious Suspicious Anomalous Indeterminable "HD2 > HG3" 0.9949 6528 1 1 1 1 43 GLU Anomalous Consistent Suspicious Consistent Anomalous Consistent "CD > C" 0.9907 6528 1 1 1 1 45 GLU Anomalous Consistent Suspicious Consistent Anomalous Consistent "CD > C" 0.9907 6528 1 1 1 1 48 GLU Anomalous Consistent Suspicious Consistent Anomalous Consistent "CD > C" 0.9907 6528 1 1 1 1 52 GLU Anomalous Consistent Suspicious Consistent Anomalous Consistent "CD > C" 0.9907 6528 1 1 1 1 57 GLU Anomalous Consistent Suspicious Consistent Anomalous Consistent "CD > C" 0.9907 6528 1 1 1 1 59 GLU Anomalous Consistent Suspicious Consistent Anomalous Consistent "CD > C" 0.9907 6528 1 1 1 1 63 GLU Anomalous Consistent Suspicious Consistent Anomalous Consistent "CD > C" 0.9907 6528 1 1 1 1 64 GLU Anomalous Consistent Suspicious Consistent Anomalous Consistent "CD > C" 0.9907 6528 1 1 1 1 80 GLU Anomalous Consistent Suspicious Consistent Anomalous Consistent "CD > C" 0.9907 6528 1 1 1 1 87 GLU Anomalous Consistent Suspicious Consistent Anomalous Consistent "CD > C" 0.9907 6528 1 1 1 1 92 GLU Anomalous Consistent Suspicious Consistent Anomalous Consistent "CD > C" 0.9907 6528 1 1 1 1 111 GLU Anomalous Consistent Suspicious Consistent Anomalous Consistent "CD > C" 0.9907 6528 1 1 1 1 112 GLU Anomalous Consistent Suspicious Consistent Anomalous Consistent "CD > C" 0.9907 6528 1 1 1 1 117 GLU Anomalous Consistent Suspicious Consistent Anomalous Consistent "CD > C" 0.9907 stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _AVS_analysis.Assembly_ID _AVS_analysis.Entity_assembly_ID _AVS_analysis.Entity_ID _AVS_analysis.Comp_index_ID _AVS_analysis.Comp_ID _AVS_analysis.Atom_ID _AVS_analysis.Observed_chem_shift _AVS_analysis.Observed_chem_shift_typing _AVS_analysis.Stat_chem_shift_expected _AVS_analysis.Stat_chem_shift_std _AVS_analysis.Stat_chem_shift_chi_sqr 6528 1 1 1 1 6 GLU C 177.90 . 176.93 2.11 6.4572e-01 6528 1 1 1 1 6 GLU CA 57.60 . 57.42 2.19 9.3449e-01 6528 1 1 1 1 6 GLU CB 29.47 . 30.07 1.84 7.4436e-01 6528 1 1 1 1 6 GLU CG 36.50 . 36.01 1.51 7.4556e-01 6528 1 1 1 1 6 GLU CD 174.00 M 181.94 1.85 1.7716e-05 6528 1 1 1 1 6 GLU H 8.71 . 8.34 0.61 5.4414e-01 6528 1 1 1 1 6 GLU HA 4.17 . 4.26 0.43 8.3421e-01 6528 1 1 1 1 6 GLU HB2 2.04 . 2.04 0.22 1.0000e+00 6528 1 1 1 1 6 GLU HB3 2.11 . 2.04 0.23 7.6086e-01 6528 1 1 1 1 6 GLU HG2 2.36 . 2.31 0.21 8.1181e-01 6528 1 1 1 1 6 GLU HG3 2.36 . 2.31 0.21 8.1181e-01 6528 1 1 1 1 6 GLU N 121.92 . 120.68 3.68 7.3615e-01 6528 1 1 1 1 11 GLU C 178.20 . 176.93 2.11 5.4724e-01 6528 1 1 1 1 11 GLU CA 58.39 . 57.42 2.19 6.5782e-01 6528 1 1 1 1 11 GLU CB 29.75 . 30.07 1.84 8.6193e-01 6528 1 1 1 1 11 GLU CG 35.80 . 36.01 1.51 8.8939e-01 6528 1 1 1 1 11 GLU CD 174.00 M 181.94 1.85 1.7716e-05 6528 1 1 1 1 11 GLU H 8.24 . 8.34 0.61 8.6978e-01 6528 1 1 1 1 11 GLU HA 4.15 . 4.26 0.43 7.9809e-01 6528 1 1 1 1 11 GLU HB2 1.94 . 2.04 0.22 6.4944e-01 6528 1 1 1 1 11 GLU HB3 1.94 . 2.04 0.23 6.6372e-01 6528 1 1 1 1 11 GLU HG2 2.29 . 2.31 0.21 9.2413e-01 6528 1 1 1 1 11 GLU HG3 2.29 . 2.31 0.21 9.2413e-01 6528 1 1 1 1 11 GLU N 119.29 . 120.68 3.68 7.0564e-01 6528 1 1 1 1 13 GLU C 178.80 . 176.93 2.11 3.7548e-01 6528 1 1 1 1 13 GLU CA 58.90 . 57.42 2.19 4.9917e-01 6528 1 1 1 1 13 GLU CB 32.20 . 30.07 1.84 2.4702e-01 6528 1 1 1 1 13 GLU CG 35.60 . 36.01 1.51 7.8599e-01 6528 1 1 1 1 13 GLU CD 174.00 M 181.94 1.85 1.7716e-05 6528 1 1 1 1 13 GLU H 8.91 . 8.34 0.61 3.5008e-01 6528 1 1 1 1 13 GLU HA 4.12 . 4.26 0.43 7.4474e-01 6528 1 1 1 1 13 GLU HB2 1.86 . 2.04 0.22 4.1325e-01 6528 1 1 1 1 13 GLU HB3 1.93 . 2.04 0.23 6.3246e-01 6528 1 1 1 1 13 GLU HG2 2.34 . 2.31 0.21 8.8640e-01 6528 1 1 1 1 13 GLU HG3 2.34 . 2.31 0.21 8.8640e-01 6528 1 1 1 1 13 GLU N 122.67 . 120.68 3.68 5.8867e-01 6528 1 1 1 1 17 GLU C 176.80 . 176.93 2.11 9.5087e-01 6528 1 1 1 1 17 GLU CA 59.60 . 57.42 2.19 3.1953e-01 6528 1 1 1 1 17 GLU CB 28.80 . 30.07 1.84 4.9006e-01 6528 1 1 1 1 17 GLU CG 35.30 . 36.01 1.51 6.3821e-01 6528 1 1 1 1 17 GLU CD 174.00 M 181.94 1.85 1.7716e-05 6528 1 1 1 1 17 GLU H 7.78 . 8.34 0.61 3.5860e-01 6528 1 1 1 1 17 GLU HA 3.99 . 4.26 0.43 5.3006e-01 6528 1 1 1 1 17 GLU HB2 2.15 . 2.04 0.22 6.1707e-01 6528 1 1 1 1 17 GLU HB3 2.20 . 2.04 0.23 4.8665e-01 6528 1 1 1 1 17 GLU HG2 2.35 . 2.31 0.21 8.4894e-01 6528 1 1 1 1 17 GLU HG3 2.35 . 2.31 0.21 8.4894e-01 6528 1 1 1 1 17 GLU N 120.68 . 120.68 3.68 1.0000e+00 6528 1 1 1 1 18 GLU C 174.00 . 176.93 2.11 1.6495e-01 6528 1 1 1 1 18 GLU CA 59.20 . 57.42 2.19 4.1634e-01 6528 1 1 1 1 18 GLU CB 29.80 . 30.07 1.84 8.8334e-01 6528 1 1 1 1 18 GLU CG 35.90 . 36.01 1.51 9.4193e-01 6528 1 1 1 1 18 GLU CD 174.00 M 181.94 1.85 1.7716e-05 6528 1 1 1 1 18 GLU H 8.55 . 8.34 0.61 7.3065e-01 6528 1 1 1 1 18 GLU HA 4.08 . 4.26 0.43 6.7550e-01 6528 1 1 1 1 18 GLU HB2 2.28 . 2.04 0.22 2.7531e-01 6528 1 1 1 1 18 GLU HB3 2.08 . 2.04 0.23 8.6193e-01 6528 1 1 1 1 18 GLU HG2 2.30 . 2.31 0.21 9.6202e-01 6528 1 1 1 1 18 GLU HG3 2.49 . 2.31 0.21 3.9137e-01 6528 1 1 1 1 18 GLU N 120.50 . 120.68 3.68 9.6099e-01 6528 1 1 1 1 24 GLU C 179.40 . 176.93 2.11 2.4175e-01 6528 1 1 1 1 24 GLU CA 59.10 . 57.42 2.19 4.4301e-01 6528 1 1 1 1 24 GLU CB 28.50 . 30.07 1.84 3.9351e-01 6528 1 1 1 1 24 GLU CG 35.40 . 36.01 1.51 6.8623e-01 6528 1 1 1 1 24 GLU CD 174.00 M 181.94 1.85 1.7716e-05 6528 1 1 1 1 24 GLU H 8.32 . 8.34 0.61 9.7384e-01 6528 1 1 1 1 24 GLU HA 4.01 . 4.26 0.43 5.6097e-01 6528 1 1 1 1 24 GLU HB2 2.21 . 2.04 0.22 4.3968e-01 6528 1 1 1 1 24 GLU HB3 2.21 . 2.04 0.23 4.5983e-01 6528 1 1 1 1 24 GLU HG2 2.45 . 2.31 0.21 5.0499e-01 6528 1 1 1 1 24 GLU HG3 2.45 . 2.31 0.21 5.0499e-01 6528 1 1 1 1 24 GLU N 121.21 . 120.68 3.68 8.8548e-01 6528 1 1 1 1 28 GLU C 178.90 . 176.93 2.11 3.5049e-01 6528 1 1 1 1 28 GLU CA 58.50 . 57.42 2.19 6.2191e-01 6528 1 1 1 1 28 GLU CB 28.70 . 30.07 1.84 4.5653e-01 6528 1 1 1 1 28 GLU CG 35.10 . 36.01 1.51 5.4674e-01 6528 1 1 1 1 28 GLU CD 174.00 M 181.94 1.85 1.7716e-05 6528 1 1 1 1 28 GLU H 8.04 . 8.34 0.61 6.2286e-01 6528 1 1 1 1 28 GLU HA 4.12 . 4.26 0.43 7.4474e-01 6528 1 1 1 1 28 GLU HB2 2.14 . 2.04 0.22 6.4944e-01 6528 1 1 1 1 28 GLU HB3 2.02 . 2.04 0.23 9.3071e-01 6528 1 1 1 1 28 GLU HG2 2.43 . 2.31 0.21 5.6771e-01 6528 1 1 1 1 28 GLU HG3 2.41 . 2.31 0.21 6.3394e-01 6528 1 1 1 1 28 GLU N 120.02 . 120.68 3.68 8.5766e-01 6528 1 1 1 1 29 GLU C 178.70 . 176.93 2.11 4.0155e-01 6528 1 1 1 1 29 GLU CA 59.30 . 57.42 2.19 3.9065e-01 6528 1 1 1 1 29 GLU CB 28.90 . 30.07 1.84 5.2486e-01 6528 1 1 1 1 29 GLU CG 35.30 . 36.01 1.51 6.3821e-01 6528 1 1 1 1 29 GLU CD 174.00 M 181.94 1.85 1.7716e-05 6528 1 1 1 1 29 GLU H 8.29 . 8.34 0.61 9.3467e-01 6528 1 1 1 1 29 GLU HA 3.98 . 4.26 0.43 5.1494e-01 6528 1 1 1 1 29 GLU HB2 2.14 . 2.04 0.22 6.4944e-01 6528 1 1 1 1 29 GLU HB3 2.14 . 2.04 0.23 6.6372e-01 6528 1 1 1 1 29 GLU HG2 2.28 . 2.31 0.21 8.8640e-01 6528 1 1 1 1 29 GLU HG3 2.31 . 2.31 0.21 1.0000e+00 6528 1 1 1 1 29 GLU N 123.00 . 120.68 3.68 5.2841e-01 6528 1 1 1 1 34 TYR CG 132.38 M 129.29 1.21 1.0658e-02 6528 1 1 1 1 34 TYR CD1 127.84 S 132.54 1.35 4.9865e-04 6528 1 1 1 1 34 TYR CD2 127.84 . 132.26 1.99 2.6344e-02 6528 1 1 1 1 34 TYR H 8.28 . 8.37 0.75 9.0448e-01 6528 1 1 1 1 34 TYR HA 5.13 . 4.63 0.56 3.7193e-01 6528 1 1 1 1 34 TYR HB2 2.99 . 2.91 0.37 8.2882e-01 6528 1 1 1 1 34 TYR HB3 2.99 . 2.91 0.37 8.2882e-01 6528 1 1 1 1 34 TYR HD1 6.90 . 6.87 0.65 9.6319e-01 6528 1 1 1 1 34 TYR HD2 6.90 . 6.86 0.68 9.5309e-01 6528 1 1 1 1 34 TYR HE1 7.18 . 6.64 0.58 3.5184e-01 6528 1 1 1 1 34 TYR HE2 7.18 . 6.63 0.61 3.6725e-01 6528 1 1 1 1 35 PRO CA 72.28 M 63.3 1.64 4.3601e-08 6528 1 1 1 1 35 PRO CB 50.25 S 31.81 1.54 4.8611e-33 6528 1 1 1 1 35 PRO CG 27.44 . 27.14 1.18 7.9931e-01 6528 1 1 1 1 35 PRO HA 4.58 . 4.41 0.36 6.3677e-01 6528 1 1 1 1 35 PRO HB2 2.48 . 2.05 0.39 2.7022e-01 6528 1 1 1 1 35 PRO HB3 2.00 . 2.05 0.39 8.9799e-01 6528 1 1 1 1 35 PRO HG2 1.98 . 1.93 0.36 8.8954e-01 6528 1 1 1 1 35 PRO HG3 3.66 S 1.92 0.37 2.5674e-06 6528 1 1 1 1 35 PRO HD2 3.36 . 3.64 0.36 4.3670e-01 6528 1 1 1 1 43 GLU C 180.30 . 176.93 2.11 1.1023e-01 6528 1 1 1 1 43 GLU CA 61.50 . 57.42 2.19 6.2461e-02 6528 1 1 1 1 43 GLU CB 28.22 . 30.07 1.84 3.1469e-01 6528 1 1 1 1 43 GLU CG 37.91 . 36.01 1.51 2.0829e-01 6528 1 1 1 1 43 GLU CD 174.00 M 181.94 1.85 1.7716e-05 6528 1 1 1 1 43 GLU H 8.73 . 8.34 0.61 5.2260e-01 6528 1 1 1 1 43 GLU HA 3.86 . 4.26 0.43 3.5225e-01 6528 1 1 1 1 43 GLU HB2 1.70 . 2.04 0.22 1.2224e-01 6528 1 1 1 1 43 GLU HB3 2.26 . 2.04 0.23 3.3881e-01 6528 1 1 1 1 43 GLU HG2 2.66 . 2.31 0.21 9.5581e-02 6528 1 1 1 1 43 GLU HG3 2.18 . 2.31 0.21 5.3589e-01 6528 1 1 1 1 43 GLU N 117.05 . 120.68 3.68 3.2393e-01 6528 1 1 1 1 45 GLU C 180.80 . 176.93 2.11 6.6636e-02 6528 1 1 1 1 45 GLU CA 59.94 . 57.42 2.19 2.4986e-01 6528 1 1 1 1 45 GLU CB 28.38 . 30.07 1.84 3.5837e-01 6528 1 1 1 1 45 GLU CG 35.56 . 36.01 1.51 7.6569e-01 6528 1 1 1 1 45 GLU CD 174.00 M 181.94 1.85 1.7716e-05 6528 1 1 1 1 45 GLU H 8.54 . 8.34 0.61 7.4301e-01 6528 1 1 1 1 45 GLU HA 4.03 . 4.26 0.43 5.9273e-01 6528 1 1 1 1 45 GLU HB2 2.41 . 2.04 0.22 9.2604e-02 6528 1 1 1 1 45 GLU HB3 2.14 . 2.04 0.23 6.6372e-01 6528 1 1 1 1 45 GLU HG2 2.57 . 2.31 0.21 2.1568e-01 6528 1 1 1 1 45 GLU HG3 2.19 . 2.31 0.21 5.6771e-01 6528 1 1 1 1 45 GLU N 121.35 . 120.68 3.68 8.5553e-01 6528 1 1 1 1 48 GLU C 179.60 . 176.93 2.11 2.0573e-01 6528 1 1 1 1 48 GLU CA 60.20 . 57.42 2.19 2.0430e-01 6528 1 1 1 1 48 GLU CB 28.75 . 30.07 1.84 4.7313e-01 6528 1 1 1 1 48 GLU CG 37.30 . 36.01 1.51 3.9294e-01 6528 1 1 1 1 48 GLU CD 174.00 M 181.94 1.85 1.7716e-05 6528 1 1 1 1 48 GLU H 9.35 . 8.34 0.61 9.7775e-02 6528 1 1 1 1 48 GLU HA 3.95 . 4.26 0.43 4.7095e-01 6528 1 1 1 1 48 GLU HB2 2.13 . 2.04 0.22 6.8247e-01 6528 1 1 1 1 48 GLU HB3 2.02 . 2.04 0.23 9.3071e-01 6528 1 1 1 1 48 GLU HG2 2.08 . 2.31 0.21 2.7341e-01 6528 1 1 1 1 48 GLU HG3 2.62 . 2.31 0.21 1.3989e-01 6528 1 1 1 1 48 GLU N 120.46 . 120.68 3.68 9.5233e-01 6528 1 1 1 1 52 GLU C 180.60 . 176.93 2.11 8.1976e-02 6528 1 1 1 1 52 GLU CA 59.47 . 57.42 2.19 3.4924e-01 6528 1 1 1 1 52 GLU CB 28.85 . 30.07 1.84 5.0730e-01 6528 1 1 1 1 52 GLU CG 35.88 . 36.01 1.51 9.3139e-01 6528 1 1 1 1 52 GLU CD 174.00 M 181.94 1.85 1.7716e-05 6528 1 1 1 1 52 GLU H 7.49 . 8.34 0.61 1.6349e-01 6528 1 1 1 1 52 GLU HA 4.04 . 4.26 0.43 6.0891e-01 6528 1 1 1 1 52 GLU HB2 2.38 . 2.04 0.22 1.2224e-01 6528 1 1 1 1 52 GLU HB3 2.09 . 2.04 0.23 8.2790e-01 6528 1 1 1 1 52 GLU HG2 2.57 . 2.31 0.21 2.1568e-01 6528 1 1 1 1 52 GLU HG3 2.41 . 2.31 0.21 6.3394e-01 6528 1 1 1 1 52 GLU N 116.92 . 120.68 3.68 3.0690e-01 6528 1 1 1 1 57 GLU C 178.70 . 176.93 2.11 4.0155e-01 6528 1 1 1 1 57 GLU CA 59.94 . 57.42 2.19 2.4986e-01 6528 1 1 1 1 57 GLU CB 29.94 . 30.07 1.84 9.4367e-01 6528 1 1 1 1 57 GLU CG 37.44 . 36.01 1.51 3.4363e-01 6528 1 1 1 1 57 GLU CD 174.00 M 181.94 1.85 1.7716e-05 6528 1 1 1 1 57 GLU H 9.03 . 8.34 0.61 2.5799e-01 6528 1 1 1 1 57 GLU HA 3.86 . 4.26 0.43 3.5225e-01 6528 1 1 1 1 57 GLU HB2 2.19 . 2.04 0.22 4.9535e-01 6528 1 1 1 1 57 GLU HB3 2.00 . 2.04 0.23 8.6193e-01 6528 1 1 1 1 57 GLU HG2 2.22 . 2.31 0.21 6.6823e-01 6528 1 1 1 1 57 GLU HG3 2.66 . 2.31 0.21 9.5581e-02 6528 1 1 1 1 57 GLU N 122.00 . 120.68 3.68 7.1982e-01 6528 1 1 1 1 59 GLU C 178.90 . 176.93 2.11 3.5049e-01 6528 1 1 1 1 59 GLU CA 59.00 . 57.42 2.19 4.7063e-01 6528 1 1 1 1 59 GLU CB 28.40 . 30.07 1.84 3.6409e-01 6528 1 1 1 1 59 GLU CG 35.25 . 36.01 1.51 6.1475e-01 6528 1 1 1 1 59 GLU CD 174.00 M 181.94 1.85 1.7716e-05 6528 1 1 1 1 59 GLU H 7.87 . 8.34 0.61 4.4101e-01 6528 1 1 1 1 59 GLU HA 4.05 . 4.26 0.43 6.2529e-01 6528 1 1 1 1 59 GLU HB2 2.12 . 2.04 0.22 7.1613e-01 6528 1 1 1 1 59 GLU HB3 2.15 . 2.04 0.23 6.3246e-01 6528 1 1 1 1 59 GLU HG2 2.35 . 2.31 0.21 8.4894e-01 6528 1 1 1 1 59 GLU HG3 2.43 . 2.31 0.21 5.6771e-01 6528 1 1 1 1 59 GLU N 118.74 . 120.68 3.68 5.9807e-01 6528 1 1 1 1 63 GLU C 180.00 . 176.93 2.11 1.4568e-01 6528 1 1 1 1 63 GLU CA 58.70 . 57.42 2.19 5.5890e-01 6528 1 1 1 1 63 GLU CB 29.00 . 30.07 1.84 5.6089e-01 6528 1 1 1 1 63 GLU CG 35.20 . 36.01 1.51 5.9167e-01 6528 1 1 1 1 63 GLU CD 174.00 M 181.94 1.85 1.7716e-05 6528 1 1 1 1 63 GLU H 8.07 . 8.34 0.61 6.5804e-01 6528 1 1 1 1 63 GLU HA 4.05 . 4.26 0.43 6.2529e-01 6528 1 1 1 1 63 GLU HB2 2.13 . 2.04 0.22 6.8247e-01 6528 1 1 1 1 63 GLU HB3 2.13 . 2.04 0.23 6.9557e-01 6528 1 1 1 1 63 GLU HG2 2.37 . 2.31 0.21 7.7510e-01 6528 1 1 1 1 63 GLU HG3 2.37 . 2.31 0.21 7.7510e-01 6528 1 1 1 1 63 GLU N 120.15 . 120.68 3.68 8.8548e-01 6528 1 1 1 1 64 GLU C 176.90 . 176.93 2.11 9.8866e-01 6528 1 1 1 1 64 GLU CA 59.00 . 57.42 2.19 4.7063e-01 6528 1 1 1 1 64 GLU CB 29.90 . 30.07 1.84 9.2639e-01 6528 1 1 1 1 64 GLU CG 37.60 . 36.01 1.51 2.9235e-01 6528 1 1 1 1 64 GLU CD 174.00 M 181.94 1.85 1.7716e-05 6528 1 1 1 1 64 GLU H 8.75 . 8.34 0.61 5.0150e-01 6528 1 1 1 1 64 GLU HA 3.86 . 4.26 0.43 3.5225e-01 6528 1 1 1 1 64 GLU HB2 2.02 . 2.04 0.22 9.2757e-01 6528 1 1 1 1 64 GLU HB3 2.17 . 2.04 0.23 5.7193e-01 6528 1 1 1 1 64 GLU HG2 2.61 . 2.31 0.21 1.5313e-01 6528 1 1 1 1 64 GLU HG3 2.08 . 2.31 0.21 2.7341e-01 6528 1 1 1 1 64 GLU N 118.61 . 120.68 3.68 5.7378e-01 6528 1 1 1 1 80 GLU C 179.05 . 176.93 2.11 3.1502e-01 6528 1 1 1 1 80 GLU CA 59.00 . 57.42 2.19 4.7063e-01 6528 1 1 1 1 80 GLU CB 28.90 . 30.07 1.84 5.2486e-01 6528 1 1 1 1 80 GLU CG 34.94 . 36.01 1.51 4.7857e-01 6528 1 1 1 1 80 GLU CD 174.00 M 181.94 1.85 1.7716e-05 6528 1 1 1 1 80 GLU H 8.03 . 8.34 0.61 6.1132e-01 6528 1 1 1 1 80 GLU HA 4.31 . 4.26 0.43 9.0743e-01 6528 1 1 1 1 80 GLU HB2 2.21 . 2.04 0.22 4.3968e-01 6528 1 1 1 1 80 GLU HB3 2.21 . 2.04 0.23 4.5983e-01 6528 1 1 1 1 80 GLU HG2 2.36 . 2.31 0.21 8.1181e-01 6528 1 1 1 1 80 GLU HG3 2.48 . 2.31 0.21 4.1821e-01 6528 1 1 1 1 80 GLU N 121.30 . 120.68 3.68 8.6621e-01 6528 1 1 1 1 87 GLU C 177.78 . 176.93 2.11 6.8706e-01 6528 1 1 1 1 87 GLU CA 58.10 . 57.42 2.19 7.5618e-01 6528 1 1 1 1 87 GLU CB 28.60 . 30.07 1.84 4.2434e-01 6528 1 1 1 1 87 GLU CG 34.00 . 36.01 1.51 1.8315e-01 6528 1 1 1 1 87 GLU CD 174.00 M 181.94 1.85 1.7716e-05 6528 1 1 1 1 87 GLU H 7.42 . 8.34 0.61 1.3150e-01 6528 1 1 1 1 87 GLU HA 4.51 . 4.26 0.43 5.6097e-01 6528 1 1 1 1 87 GLU HB2 2.16 . 2.04 0.22 5.8544e-01 6528 1 1 1 1 87 GLU HB3 2.03 . 2.04 0.23 9.6532e-01 6528 1 1 1 1 87 GLU HG2 2.28 . 2.31 0.21 8.8640e-01 6528 1 1 1 1 87 GLU HG3 2.50 . 2.31 0.21 3.6559e-01 6528 1 1 1 1 87 GLU N 121.52 . 120.68 3.68 8.1944e-01 6528 1 1 1 1 92 GLU C 178.97 . 176.93 2.11 3.3363e-01 6528 1 1 1 1 92 GLU CA 58.69 . 57.42 2.19 5.6198e-01 6528 1 1 1 1 92 GLU CB 28.90 . 30.07 1.84 5.2486e-01 6528 1 1 1 1 92 GLU CG 35.05 . 36.01 1.51 5.2493e-01 6528 1 1 1 1 92 GLU CD 174.00 M 181.94 1.85 1.7716e-05 6528 1 1 1 1 92 GLU H 8.18 . 8.34 0.61 7.9309e-01 6528 1 1 1 1 92 GLU HA 4.00 . 4.26 0.43 5.4541e-01 6528 1 1 1 1 92 GLU HB2 2.17 . 2.04 0.22 5.5458e-01 6528 1 1 1 1 92 GLU HB3 2.17 . 2.04 0.23 5.7193e-01 6528 1 1 1 1 92 GLU HG2 2.36 . 2.31 0.21 8.1181e-01 6528 1 1 1 1 92 GLU HG3 2.36 . 2.31 0.21 8.1181e-01 6528 1 1 1 1 92 GLU N 119.68 . 120.68 3.68 7.8582e-01 6528 1 1 1 1 111 GLU C 177.70 . 176.93 2.11 7.1516e-01 6528 1 1 1 1 111 GLU CA 57.50 . 57.42 2.19 9.7086e-01 6528 1 1 1 1 111 GLU CB 29.80 . 30.07 1.84 8.8334e-01 6528 1 1 1 1 111 GLU CG 35.60 . 36.01 1.51 7.8599e-01 6528 1 1 1 1 111 GLU CD 174.00 M 181.94 1.85 1.7716e-05 6528 1 1 1 1 111 GLU H 8.02 . 8.34 0.61 5.9987e-01 6528 1 1 1 1 111 GLU HA 4.20 . 4.26 0.43 8.8903e-01 6528 1 1 1 1 111 GLU HB2 2.09 . 2.04 0.22 8.2021e-01 6528 1 1 1 1 111 GLU HB3 2.09 . 2.04 0.23 8.2790e-01 6528 1 1 1 1 111 GLU HG2 2.43 . 2.31 0.21 5.6771e-01 6528 1 1 1 1 111 GLU HG3 2.34 . 2.31 0.21 8.8640e-01 6528 1 1 1 1 111 GLU N 119.56 . 120.68 3.68 7.6086e-01 6528 1 1 1 1 112 GLU C 177.00 . 176.93 2.11 9.7353e-01 6528 1 1 1 1 112 GLU CA 57.10 . 57.42 2.19 8.8383e-01 6528 1 1 1 1 112 GLU CB 29.30 . 30.07 1.84 6.7560e-01 6528 1 1 1 1 112 GLU CG 35.50 . 36.01 1.51 7.3555e-01 6528 1 1 1 1 112 GLU CD 174.00 M 181.94 1.85 1.7716e-05 6528 1 1 1 1 112 GLU H 8.17 . 8.34 0.61 7.8048e-01 6528 1 1 1 1 112 GLU HA 4.20 . 4.26 0.43 8.8903e-01 6528 1 1 1 1 112 GLU HB2 2.07 . 2.04 0.22 8.9153e-01 6528 1 1 1 1 112 GLU HB3 2.07 . 2.04 0.23 8.9622e-01 6528 1 1 1 1 112 GLU HG2 2.32 . 2.31 0.21 9.6202e-01 6528 1 1 1 1 112 GLU HG3 2.40 . 2.31 0.21 6.6823e-01 6528 1 1 1 1 112 GLU N 121.00 . 120.68 3.68 9.3071e-01 6528 1 1 1 1 117 GLU C 175.90 . 176.93 2.11 6.2544e-01 6528 1 1 1 1 117 GLU CA 56.50 . 57.42 2.19 6.7442e-01 6528 1 1 1 1 117 GLU CB 30.10 . 30.07 1.84 9.8699e-01 6528 1 1 1 1 117 GLU CG 35.50 . 36.01 1.51 7.3555e-01 6528 1 1 1 1 117 GLU CD 174.00 M 181.94 1.85 1.7716e-05 6528 1 1 1 1 117 GLU H 8.31 . 8.34 0.61 9.6078e-01 6528 1 1 1 1 117 GLU HA 4.24 . 4.26 0.43 9.6290e-01 6528 1 1 1 1 117 GLU HB2 2.03 . 2.04 0.22 9.6375e-01 6528 1 1 1 1 117 GLU HB3 1.94 . 2.04 0.23 6.6372e-01 6528 1 1 1 1 117 GLU HG2 2.28 . 2.31 0.21 8.8640e-01 6528 1 1 1 1 117 GLU HG3 2.31 . 2.31 0.21 1.0000e+00 6528 1 1 1 1 117 GLU N 122.90 . 120.68 3.68 5.4634e-01 stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _AVS_analysis.Assembly_ID _AVS_analysis.Entity_assembly_ID _AVS_analysis.Entity_ID _AVS_analysis.Comp_index_ID _AVS_analysis.Comp_ID _AVS_analysis.PRTL_comp_type _AVS_analysis.PRTL_probability_score 6528 1 1 1 1 6 GLU ASN 0.84 6528 1 1 1 1 6 GLU ASP 0.11 6528 1 1 1 1 6 GLU GLU 0.04 6528 1 1 1 1 11 GLU ASN 0.76 6528 1 1 1 1 11 GLU GLU 0.14 6528 1 1 1 1 11 GLU ASP 0.08 6528 1 1 1 1 13 GLU ASN 0.75 6528 1 1 1 1 13 GLU GLU 0.16 6528 1 1 1 1 13 GLU ASP 0.08 6528 1 1 1 1 17 GLU ASN 0.49 6528 1 1 1 1 17 GLU GLU 0.43 6528 1 1 1 1 17 GLU ASP 0.05 6528 1 1 1 1 17 GLU GLN 0.01 6528 1 1 1 1 18 GLU ASN 0.62 6528 1 1 1 1 18 GLU GLU 0.27 6528 1 1 1 1 18 GLU ASP 0.1 6528 1 1 1 1 24 GLU ASN 0.65 6528 1 1 1 1 24 GLU GLU 0.26 6528 1 1 1 1 24 GLU ASP 0.06 6528 1 1 1 1 28 GLU ASN 0.73 6528 1 1 1 1 28 GLU GLU 0.21 6528 1 1 1 1 28 GLU ASP 0.04 6528 1 1 1 1 28 GLU GLN 0.01 6528 1 1 1 1 29 GLU ASN 0.56 6528 1 1 1 1 29 GLU GLU 0.36 6528 1 1 1 1 29 GLU ASP 0.05 6528 1 1 1 1 29 GLU GLN 0.01 6528 1 1 1 1 34 TYR HIS 0.99 6528 1 1 1 1 35 PRO GLY 0.98 6528 1 1 1 1 35 PRO ALA 0.01 6528 1 1 1 1 43 GLU ASP 0.57 6528 1 1 1 1 43 GLU ASN 0.24 6528 1 1 1 1 43 GLU GLU 0.17 6528 1 1 1 1 45 GLU ASN 0.48 6528 1 1 1 1 45 GLU GLU 0.42 6528 1 1 1 1 45 GLU ASP 0.08 6528 1 1 1 1 45 GLU GLN 0.01 6528 1 1 1 1 48 GLU ASN 0.47 6528 1 1 1 1 48 GLU ASP 0.36 6528 1 1 1 1 48 GLU GLU 0.15 6528 1 1 1 1 52 GLU ASN 0.59 6528 1 1 1 1 52 GLU GLU 0.29 6528 1 1 1 1 52 GLU ASP 0.1 6528 1 1 1 1 57 GLU ASN 0.49 6528 1 1 1 1 57 GLU ASP 0.36 6528 1 1 1 1 57 GLU GLU 0.13 6528 1 1 1 1 59 GLU ASN 0.66 6528 1 1 1 1 59 GLU GLU 0.26 6528 1 1 1 1 59 GLU ASP 0.05 6528 1 1 1 1 59 GLU GLN 0.01 6528 1 1 1 1 63 GLU ASN 0.68 6528 1 1 1 1 63 GLU GLU 0.25 6528 1 1 1 1 63 GLU ASP 0.04 6528 1 1 1 1 63 GLU GLN 0.01 6528 1 1 1 1 64 GLU ASN 0.61 6528 1 1 1 1 64 GLU ASP 0.33 6528 1 1 1 1 64 GLU GLU 0.04 6528 1 1 1 1 80 GLU ASN 0.59 6528 1 1 1 1 80 GLU GLU 0.34 6528 1 1 1 1 80 GLU ASP 0.03 6528 1 1 1 1 80 GLU GLN 0.02 6528 1 1 1 1 87 GLU ASN 0.68 6528 1 1 1 1 87 GLU GLU 0.24 6528 1 1 1 1 87 GLU GLN 0.05 6528 1 1 1 1 87 GLU ASP 0.01 6528 1 1 1 1 92 GLU ASN 0.67 6528 1 1 1 1 92 GLU GLU 0.26 6528 1 1 1 1 92 GLU ASP 0.04 6528 1 1 1 1 92 GLU GLN 0.01 6528 1 1 1 1 111 GLU ASN 0.86 6528 1 1 1 1 111 GLU GLU 0.07 6528 1 1 1 1 111 GLU ASP 0.05 6528 1 1 1 1 112 GLU ASN 0.89 6528 1 1 1 1 112 GLU GLU 0.05 6528 1 1 1 1 112 GLU ASP 0.04 6528 1 1 1 1 117 GLU ASN 0.92 6528 1 1 1 1 117 GLU ASP 0.03 6528 1 1 1 1 117 GLU GLU 0.03 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6528 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 1.4 _Software.Details ; Original version modified by BMRB to export results in a BMRB STAR format. Changed status "Misassigned" to "Anomalous" ; loop_ _Vendor.Entry_ID _Vendor.Software_ID _Vendor.Name _Vendor.Address _Vendor.Electronic_address 6528 1 "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu stop_ loop_ _Task.Entry_ID _Task.Software_ID _Task.Task 6528 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6528 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6528 _Citation.ID 2 _Citation.Class citation _Citation.PubMed_ID 14872126 _Citation.Full_citation ; Moseley HN, Sahota G, Montelione GT., Assignment validation software suite for the evaluation and presentation of protein resonance assignment data. J Biomol NMR. 28, 341-55 (2004) ; _Citation.Status published _Citation.Type journal save_