data_AVS_bmrb_pdb_report_27987 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 27987 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _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 _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 2 ASP Anomalous Consistent Consistent Anomalous Consistent Indeterminable . . 27987 1 1 1 1 3 GLU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 27987 1 1 1 1 4 LEU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 27987 1 1 1 1 8 ALA Anomalous Consistent Consistent Anomalous Consistent Consistent . . 27987 1 1 1 1 11 GLY Anomalous Consistent Consistent Anomalous Consistent Consistent . . 27987 1 1 1 1 12 ASP Anomalous Consistent Consistent Anomalous Consistent Suspicious . . 27987 1 1 1 1 13 VAL Anomalous Consistent Consistent Anomalous Consistent Consistent . . 27987 1 1 1 1 16 PRO Anomalous Consistent Consistent Anomalous Consistent Indeterminable . . 27987 1 1 1 1 18 LYS Anomalous Consistent Suspicious Anomalous Consistent Consistent "HE2 > HB2" 0.9970 27987 1 1 1 1 27 CYS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 27987 1 1 1 1 35 PRO Anomalous Consistent Consistent Anomalous Consistent Indeterminable . . 27987 1 1 1 1 36 GLY Anomalous Consistent Consistent Anomalous Consistent Indeterminable . . 27987 1 1 1 1 43 LYS Anomalous Consistent Suspicious Anomalous Consistent Consistent "HA > HB3" 0.9998 27987 1 1 1 1 43 LYS . . . . . . "HA > HG2" 1.0000 27987 1 1 1 1 43 LYS . . . . . . "HA > HD2" 0.9988 27987 1 1 1 1 43 LYS . . . . . . "HA > HE2" 0.9935 27987 1 1 1 1 43 LYS . . . . . . "HA > HE3" 0.9935 27987 1 1 1 1 43 LYS . . . . . . "HE2 > HG2" 0.9988 27987 1 1 1 1 43 LYS . . . . . . "HE3 > HG2" 0.9993 27987 1 1 1 1 44 ASP Anomalous Consistent Consistent Anomalous Consistent Consistent . . 27987 1 1 1 1 46 ALA Anomalous Consistent Consistent Anomalous Consistent Consistent . . 27987 1 1 1 1 47 HIS Anomalous Consistent Suspicious Anomalous Consistent Consistent "H > HB2" 0.9986 27987 1 1 1 1 47 HIS . . . . . . "H > HB3" 0.9971 27987 1 1 1 1 47 HIS . . . . . . "HA > HB2" 0.9926 27987 1 1 1 1 47 HIS . . . . . . "HA > HB3" 0.9952 27987 1 1 1 1 49 THR Anomalous Consistent Consistent Anomalous Consistent Consistent . . 27987 1 1 1 1 50 CYS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 27987 1 1 1 1 64 CYS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 27987 1 1 1 2 1 HEM UNSUPPORTED . . . . . . . 27987 1 stop_ loop_ _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 _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 2 ASP CA 59.003 . 54.69 2.03 3.3617e-02 27987 1 1 1 1 2 ASP CB 42.457 . 40.88 1.62 3.3033e-01 27987 1 1 1 1 2 ASP HA 7.531 A 4.59 0.32 3.9057e-20 27987 1 1 1 1 2 ASP HB2 4.176 S 2.72 0.26 2.1435e-08 27987 1 1 1 1 2 ASP HB3 4.521 S 2.66 0.28 3.0029e-11 27987 1 1 1 1 3 GLU CA 57.179 . 57.32 2.09 9.4621e-01 27987 1 1 1 1 3 GLU CB 33.625 . 30.01 1.72 3.5576e-02 27987 1 1 1 1 3 GLU CG 37.601 . 36.11 1.19 2.1023e-01 27987 1 1 1 1 3 GLU H 9.907 . 8.33 0.59 7.5203e-03 27987 1 1 1 1 3 GLU HA 6.912 A 4.25 0.41 8.4321e-11 27987 1 1 1 1 3 GLU HB2 3.046 S 2.02 0.21 1.0305e-06 27987 1 1 1 1 3 GLU HG2 3.095 S 2.27 0.21 8.5452e-05 27987 1 1 1 1 3 GLU HG3 3.146 S 2.25 0.22 4.6466e-05 27987 1 1 1 1 3 GLU N 122.524 . 120.67 3.48 5.9420e-01 27987 1 1 1 1 4 LEU CA 54.351 . 55.62 2.13 5.5133e-01 27987 1 1 1 1 4 LEU CB 46.673 . 42.31 1.88 2.0301e-02 27987 1 1 1 1 4 LEU CG 29.484 . 26.78 1.1 1.3964e-02 27987 1 1 1 1 4 LEU CD1 24.851 . 24.72 1.59 9.3434e-01 27987 1 1 1 1 4 LEU CD2 26.675 . 24.05 1.7 1.2256e-01 27987 1 1 1 1 4 LEU H 10.126 . 8.23 0.65 3.5350e-03 27987 1 1 1 1 4 LEU HA 5.606 . 4.32 0.47 6.2159e-03 27987 1 1 1 1 4 LEU HB2 1.625 . 1.61 0.34 9.6481e-01 27987 1 1 1 1 4 LEU HB3 2.459 . 1.52 0.36 9.0984e-03 27987 1 1 1 1 4 LEU HG 4.267 A 1.51 0.33 6.5685e-17 27987 1 1 1 1 4 LEU HD11 1.936 S 0.75 0.28 2.2783e-05 27987 1 1 1 1 4 LEU HD12 1.936 S 0.75 0.28 2.2783e-05 27987 1 1 1 1 4 LEU HD13 1.936 S 0.75 0.28 2.2783e-05 27987 1 1 1 1 4 LEU HD21 2.574 S 0.73 0.29 2.0357e-10 27987 1 1 1 1 4 LEU HD22 2.574 S 0.73 0.29 2.0357e-10 27987 1 1 1 1 4 LEU HD23 2.574 S 0.73 0.29 2.0357e-10 27987 1 1 1 1 4 LEU N 125.501 . 121.86 3.9 3.5052e-01 27987 1 1 1 1 8 ALA CA 52.667 . 53.14 1.98 8.1119e-01 27987 1 1 1 1 8 ALA CB 24.327 . 19.01 1.83 3.6671e-03 27987 1 1 1 1 8 ALA H 9.852 . 8.2 0.6 5.8992e-03 27987 1 1 1 1 8 ALA HA 4.868 . 4.26 0.44 1.6703e-01 27987 1 1 1 1 8 ALA HB1 4.399 A 1.35 0.26 9.2770e-32 27987 1 1 1 1 8 ALA HB2 4.399 A 1.35 0.26 9.2770e-32 27987 1 1 1 1 8 ALA HB3 4.399 A 1.35 0.26 9.2770e-32 27987 1 1 1 1 8 ALA N 124.714 . 123.23 3.54 6.7506e-01 27987 1 1 1 1 11 GLY CA 47.812 . 45.35 1.34 6.6164e-02 27987 1 1 1 1 11 GLY H 9.729 . 8.33 0.65 3.1373e-02 27987 1 1 1 1 11 GLY HA2 5.466 S 3.97 0.37 5.2717e-05 27987 1 1 1 1 11 GLY HA3 7.128 A 3.9 0.37 2.6777e-18 27987 1 1 1 1 11 GLY N 113.405 . 109.67 3.87 3.3449e-01 27987 1 1 1 1 12 ASP CA 57.979 . 54.69 2.03 1.0519e-01 27987 1 1 1 1 12 ASP CB 42.479 . 40.88 1.62 3.2362e-01 27987 1 1 1 1 12 ASP H 10.326 S 8.31 0.58 5.0921e-04 27987 1 1 1 1 12 ASP HA 7.116 A 4.59 0.32 2.9324e-15 27987 1 1 1 1 12 ASP HB2 3.552 . 2.72 0.26 1.3743e-03 27987 1 1 1 1 12 ASP HB3 3.894 S 2.66 0.28 1.0474e-05 27987 1 1 1 1 12 ASP N 133.360 S 120.65 3.86 9.9214e-04 27987 1 1 1 1 13 VAL CA 62.192 . 62.49 2.86 9.1701e-01 27987 1 1 1 1 13 VAL CB 36.505 . 32.73 1.79 3.4950e-02 27987 1 1 1 1 13 VAL CG1 21.479 . 21.49 1.36 9.9355e-01 27987 1 1 1 1 13 VAL CG2 22.345 . 21.26 1.56 4.8673e-01 27987 1 1 1 1 13 VAL H 10.712 S 8.29 0.67 3.0043e-04 27987 1 1 1 1 13 VAL HA 6.659 A 4.19 0.58 2.0728e-05 27987 1 1 1 1 13 VAL HB 3.151 S 1.98 0.32 2.5283e-04 27987 1 1 1 1 13 VAL HG11 0.804 . 0.83 0.26 9.2034e-01 27987 1 1 1 1 13 VAL HG12 0.804 . 0.83 0.26 9.2034e-01 27987 1 1 1 1 13 VAL HG13 0.804 . 0.83 0.26 9.2034e-01 27987 1 1 1 1 13 VAL HG21 5.978 A 0.8 0.28 2.3573e-76 27987 1 1 1 1 13 VAL HG22 5.978 A 0.8 0.28 2.3573e-76 27987 1 1 1 1 13 VAL HG23 5.978 A 0.8 0.28 2.3573e-76 27987 1 1 1 1 13 VAL N 121.810 . 121.14 4.54 8.8268e-01 27987 1 1 1 1 16 PRO CA 64.071 . 63.33 1.52 6.2590e-01 27987 1 1 1 1 16 PRO CB 31.124 . 31.85 1.18 5.3839e-01 27987 1 1 1 1 16 PRO CG 28.261 . 27.17 1.09 3.1687e-01 27987 1 1 1 1 16 PRO CD 52.240 . 50.32 0.99 5.2453e-02 27987 1 1 1 1 16 PRO HA 6.899 A 4.4 0.33 3.6547e-14 27987 1 1 1 1 16 PRO HB2 3.319 S 2.08 0.35 4.0013e-04 27987 1 1 1 1 16 PRO HB3 4.192 A 2 0.36 1.1370e-09 27987 1 1 1 1 16 PRO HG2 1.972 . 1.93 0.31 8.9223e-01 27987 1 1 1 1 16 PRO HG3 3.572 S 1.9 0.33 4.0484e-07 27987 1 1 1 1 16 PRO HD2 4.151 . 3.65 0.35 1.5231e-01 27987 1 1 1 1 16 PRO HD3 4.293 . 3.61 0.39 7.9897e-02 27987 1 1 1 1 18 LYS CA 62.943 . 56.95 2.2 6.4479e-03 27987 1 1 1 1 18 LYS CB 33.514 . 32.79 1.78 6.8420e-01 27987 1 1 1 1 18 LYS CG 26.138 . 24.89 1.13 2.6941e-01 27987 1 1 1 1 18 LYS CD 30.005 . 28.96 1.08 3.3325e-01 27987 1 1 1 1 18 LYS CE 43.092 . 41.89 0.82 1.4269e-01 27987 1 1 1 1 18 LYS H 12.836 A 8.19 0.6 9.6844e-15 27987 1 1 1 1 18 LYS HA 7.325 A 4.27 0.44 3.8337e-12 27987 1 1 1 1 18 LYS HB2 4.112 A 1.78 0.25 1.0789e-20 27987 1 1 1 1 18 LYS HG2 2.794 S 1.37 0.26 4.3279e-08 27987 1 1 1 1 18 LYS HG3 2.972 S 1.35 0.28 6.9199e-09 27987 1 1 1 1 18 LYS HD2 2.943 S 1.61 0.22 1.3689e-09 27987 1 1 1 1 18 LYS HD3 3.031 S 1.6 0.22 7.7929e-11 27987 1 1 1 1 18 LYS HE2 3.895 S 2.92 0.19 2.8732e-07 27987 1 1 1 1 18 LYS N 127.202 . 121.05 3.77 1.0272e-01 27987 1 1 1 1 27 CYS CA 56.392 . 58.3 3.33 5.6666e-01 27987 1 1 1 1 27 CYS CB 32.126 . 32.49 6.01 9.5171e-01 27987 1 1 1 1 27 CYS H 8.295 . 8.39 0.67 8.8725e-01 27987 1 1 1 1 27 CYS HA 2.974 . 4.66 0.55 2.1734e-03 27987 1 1 1 1 27 CYS HB2 4.115 . 2.96 0.44 8.6649e-03 27987 1 1 1 1 27 CYS HB3 5.018 A 2.89 0.46 3.7264e-06 27987 1 1 1 1 27 CYS N 122.194 . 120.17 4.64 6.6269e-01 27987 1 1 1 1 35 PRO CA 64.589 . 63.33 1.52 4.0751e-01 27987 1 1 1 1 35 PRO CB 30.930 . 31.85 1.18 4.3559e-01 27987 1 1 1 1 35 PRO CG 27.058 . 27.17 1.09 9.1816e-01 27987 1 1 1 1 35 PRO CD 50.194 . 50.32 0.99 8.9872e-01 27987 1 1 1 1 35 PRO HA 5.975 S 4.4 0.33 1.8175e-06 27987 1 1 1 1 35 PRO HB2 -0.909 A 2.08 0.35 1.3422e-17 27987 1 1 1 1 35 PRO HB3 -0.541 S 2 0.36 1.6851e-12 27987 1 1 1 1 35 PRO HG2 1.397 . 1.93 0.31 8.5550e-02 27987 1 1 1 1 35 PRO HG3 1.512 . 1.9 0.33 2.3969e-01 27987 1 1 1 1 35 PRO HD2 3.707 . 3.65 0.35 8.7063e-01 27987 1 1 1 1 35 PRO HD3 4.275 . 3.61 0.39 8.8171e-02 27987 1 1 1 1 36 GLY CA 44.032 . 45.35 1.34 3.2532e-01 27987 1 1 1 1 36 GLY HA2 0.430 A 3.97 0.37 1.0945e-21 27987 1 1 1 1 36 GLY HA3 3.616 . 3.9 0.37 4.4274e-01 27987 1 1 1 1 43 LYS CA 58.705 . 56.95 2.2 4.2503e-01 27987 1 1 1 1 43 LYS CB 31.733 . 32.79 1.78 5.5263e-01 27987 1 1 1 1 43 LYS CG 25.471 . 24.89 1.13 6.0714e-01 27987 1 1 1 1 43 LYS CD 30.761 . 28.96 1.08 9.5397e-02 27987 1 1 1 1 43 LYS CE 43.526 . 41.89 0.82 4.6030e-02 27987 1 1 1 1 43 LYS H 7.245 . 8.19 0.6 1.1526e-01 27987 1 1 1 1 43 LYS HA -0.089 A 4.27 0.44 3.8883e-23 27987 1 1 1 1 43 LYS HB2 -0.748 S 1.78 0.25 4.8876e-24 27987 1 1 1 1 43 LYS HB3 0.929 . 1.74 0.27 2.6671e-03 27987 1 1 1 1 43 LYS HG2 4.104 A 1.37 0.26 7.3381e-26 27987 1 1 1 1 43 LYS HD2 1.401 . 1.61 0.22 3.4211e-01 27987 1 1 1 1 43 LYS HE2 2.950 . 2.92 0.19 8.7454e-01 27987 1 1 1 1 43 LYS HE3 3.896 S 2.91 0.2 8.2230e-07 27987 1 1 1 1 43 LYS N 120.771 . 121.05 3.77 9.4101e-01 27987 1 1 1 1 44 ASP CA 59.473 . 54.69 2.03 1.8465e-02 27987 1 1 1 1 44 ASP CB 40.793 . 40.88 1.62 9.5717e-01 27987 1 1 1 1 44 ASP H 8.653 . 8.31 0.58 5.5427e-01 27987 1 1 1 1 44 ASP HA 6.880 A 4.59 0.32 8.2914e-13 27987 1 1 1 1 44 ASP HB2 3.220 . 2.72 0.26 5.4470e-02 27987 1 1 1 1 44 ASP HB3 3.578 . 2.66 0.28 1.0433e-03 27987 1 1 1 1 44 ASP N 118.754 . 120.65 3.86 6.2329e-01 27987 1 1 1 1 46 ALA CA 55.159 . 53.14 1.98 3.0787e-01 27987 1 1 1 1 46 ALA CB 15.833 . 19.01 1.83 8.2552e-02 27987 1 1 1 1 46 ALA H 8.133 . 8.2 0.6 9.1109e-01 27987 1 1 1 1 46 ALA HA 2.501 S 4.26 0.44 6.3954e-05 27987 1 1 1 1 46 ALA HB1 -2.686 A 1.35 0.26 2.4216e-54 27987 1 1 1 1 46 ALA HB2 -2.686 A 1.35 0.26 2.4216e-54 27987 1 1 1 1 46 ALA HB3 -2.686 A 1.35 0.26 2.4216e-54 27987 1 1 1 1 46 ALA N 119.277 . 123.23 3.54 2.6414e-01 27987 1 1 1 1 47 HIS CA 63.436 . 56.52 2.31 2.7540e-03 27987 1 1 1 1 47 HIS CB 24.825 . 30.24 2.07 8.8982e-03 27987 1 1 1 1 47 HIS H 12.624 A 8.24 0.68 1.1404e-10 27987 1 1 1 1 47 HIS HA 8.178 S 4.61 0.43 1.0617e-16 27987 1 1 1 1 47 HIS HB2 15.459 A 3.1 0.36 0.0000e+00 27987 1 1 1 1 47 HIS HB3 18.034 A 3.04 0.38 0.0000e+00 27987 1 1 1 1 47 HIS N 122.073 . 119.69 4 5.5134e-01 27987 1 1 1 1 49 THR CA 65.020 . 62.22 2.59 2.7966e-01 27987 1 1 1 1 49 THR CB 67.121 . 69.73 1.63 1.0946e-01 27987 1 1 1 1 49 THR CG2 19.495 . 21.55 1.11 6.4119e-02 27987 1 1 1 1 49 THR H 8.057 . 8.24 0.62 7.6787e-01 27987 1 1 1 1 49 THR HA 2.744 S 4.46 0.48 3.5023e-04 27987 1 1 1 1 49 THR HB 1.076 S 4.17 0.33 6.8681e-21 27987 1 1 1 1 49 THR HG21 -1.494 A 1.14 0.23 2.2932e-30 27987 1 1 1 1 49 THR HG22 -1.494 A 1.14 0.23 2.2932e-30 27987 1 1 1 1 49 THR HG23 -1.494 A 1.14 0.23 2.2932e-30 27987 1 1 1 1 49 THR N 114.291 . 115.42 4.75 8.1213e-01 27987 1 1 1 1 50 CYS CA 54.981 . 58.3 3.33 3.1891e-01 27987 1 1 1 1 50 CYS CB 34.020 . 32.49 6.01 7.9905e-01 27987 1 1 1 1 50 CYS H 6.172 S 8.39 0.67 9.3147e-04 27987 1 1 1 1 50 CYS HA -2.989 A 4.66 0.55 5.7220e-44 27987 1 1 1 1 50 CYS HB2 -0.802 A 2.96 0.44 1.2309e-17 27987 1 1 1 1 50 CYS HB3 0.439 S 2.89 0.46 9.9158e-08 27987 1 1 1 1 50 CYS N 117.733 . 120.17 4.64 5.9943e-01 27987 1 1 1 1 64 CYS CA 55.559 . 58.3 3.33 4.1044e-01 27987 1 1 1 1 64 CYS CB 33.732 . 32.49 6.01 8.3628e-01 27987 1 1 1 1 64 CYS H 6.681 . 8.39 0.67 1.0749e-02 27987 1 1 1 1 64 CYS HA -1.171 A 4.66 0.55 2.9224e-26 27987 1 1 1 1 64 CYS HB2 -0.734 A 2.96 0.44 4.6410e-17 27987 1 1 1 1 64 CYS HB3 1.152 S 2.89 0.46 1.5793e-04 27987 1 1 1 1 64 CYS N 117.160 . 120.17 4.64 5.1653e-01 27987 1 stop_ loop_ _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 _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 2 ASP LYS 0.29 27987 1 1 1 1 2 ASP PHE 0.27 27987 1 1 1 1 2 ASP LEU 0.16 27987 1 1 1 1 2 ASP CYS 0.14 27987 1 1 1 1 2 ASP ILE 0.06 27987 1 1 1 1 2 ASP ASP 0.03 27987 1 1 1 1 2 ASP GLY 0.01 27987 1 1 1 1 3 GLU CYS 0.8 27987 1 1 1 1 3 GLU GLU 0.09 27987 1 1 1 1 3 GLU MET 0.09 27987 1 1 1 1 4 LEU CYS 0.56 27987 1 1 1 1 4 LEU GLY 0.41 27987 1 1 1 1 4 LEU LEU 0.01 27987 1 1 1 1 8 ALA LEU 0.59 27987 1 1 1 1 8 ALA LYS 0.2 27987 1 1 1 1 8 ALA CYS 0.14 27987 1 1 1 1 8 ALA ALA 0.02 27987 1 1 1 1 11 GLY GLY 0.64 27987 1 1 1 1 11 GLY PRO 0.11 27987 1 1 1 1 11 GLY CYS 0.1 27987 1 1 1 1 11 GLY ALA 0.06 27987 1 1 1 1 11 GLY LEU 0.03 27987 1 1 1 1 11 GLY ASN 0.02 27987 1 1 1 1 12 ASP LYS 0.3 27987 1 1 1 1 12 ASP LEU 0.24 27987 1 1 1 1 12 ASP PHE 0.21 27987 1 1 1 1 12 ASP CYS 0.11 27987 1 1 1 1 12 ASP ASP 0.07 27987 1 1 1 1 12 ASP ILE 0.02 27987 1 1 1 1 12 ASP GLY 0.01 27987 1 1 1 1 13 VAL CYS 0.57 27987 1 1 1 1 13 VAL VAL 0.42 27987 1 1 1 1 16 PRO PRO 0.53 27987 1 1 1 1 16 PRO CYS 0.46 27987 1 1 1 1 18 LYS CYS 0.74 27987 1 1 1 1 18 LYS GLY 0.18 27987 1 1 1 1 18 LYS LYS 0.07 27987 1 1 1 1 27 CYS MET 0.2 27987 1 1 1 1 27 CYS LYS 0.18 27987 1 1 1 1 27 CYS CYS 0.17 27987 1 1 1 1 27 CYS HIS 0.13 27987 1 1 1 1 27 CYS TRP 0.1 27987 1 1 1 1 27 CYS GLU 0.08 27987 1 1 1 1 27 CYS GLN 0.07 27987 1 1 1 1 27 CYS VAL 0.02 27987 1 1 1 1 35 PRO PRO 0.84 27987 1 1 1 1 35 PRO CYS 0.15 27987 1 1 1 1 36 GLY LEU 0.41 27987 1 1 1 1 36 GLY GLY 0.37 27987 1 1 1 1 36 GLY CYS 0.06 27987 1 1 1 1 36 GLY PHE 0.06 27987 1 1 1 1 36 GLY ASP 0.05 27987 1 1 1 1 36 GLY LYS 0.01 27987 1 1 1 1 43 LYS CYS 0.74 27987 1 1 1 1 43 LYS GLY 0.13 27987 1 1 1 1 43 LYS LYS 0.11 27987 1 1 1 1 44 ASP PHE 0.4 27987 1 1 1 1 44 ASP ILE 0.2 27987 1 1 1 1 44 ASP CYS 0.18 27987 1 1 1 1 44 ASP LYS 0.1 27987 1 1 1 1 44 ASP LEU 0.07 27987 1 1 1 1 44 ASP ASP 0.03 27987 1 1 1 1 46 ALA MET 0.79 27987 1 1 1 1 46 ALA ALA 0.15 27987 1 1 1 1 46 ALA ILE 0.03 27987 1 1 1 1 46 ALA CYS 0.01 27987 1 1 1 1 47 HIS ILE 0.35 27987 1 1 1 1 47 HIS CYS 0.26 27987 1 1 1 1 47 HIS PRO 0.19 27987 1 1 1 1 47 HIS VAL 0.13 27987 1 1 1 1 47 HIS LYS 0.02 27987 1 1 1 1 47 HIS THR 0.02 27987 1 1 1 1 49 THR THR 0.84 27987 1 1 1 1 49 THR CYS 0.15 27987 1 1 1 1 50 CYS MET 0.25 27987 1 1 1 1 50 CYS GLN 0.24 27987 1 1 1 1 50 CYS CYS 0.19 27987 1 1 1 1 50 CYS LYS 0.17 27987 1 1 1 1 50 CYS HIS 0.04 27987 1 1 1 1 50 CYS GLU 0.03 27987 1 1 1 1 50 CYS TRP 0.02 27987 1 1 1 1 64 CYS MET 0.24 27987 1 1 1 1 64 CYS GLN 0.23 27987 1 1 1 1 64 CYS LYS 0.19 27987 1 1 1 1 64 CYS CYS 0.18 27987 1 1 1 1 64 CYS HIS 0.05 27987 1 1 1 1 64 CYS TRP 0.03 27987 1 1 1 1 64 CYS GLU 0.02 27987 1 1 1 1 64 CYS VAL 0.01 27987 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 27987 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 2011-12-10 _Software.Details ; Original version modified by BMRB to export results in a BMRB STAR format. Changed status "Misassigned" to "Anomalous" ; loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu 27987 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 27987 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 27987 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 27987 _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_