data_AVS_bmrb_pdb_report_6705 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6705 _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 6705 1 1 1 1 5 ASP Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6705 1 1 1 1 11 ASP Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6705 1 1 1 1 17 GLN Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6705 1 1 1 1 18 GLU Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6705 1 1 1 1 20 ARG Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6705 1 1 1 1 21 ASP Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6705 1 1 1 1 23 ASP Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6705 1 1 1 1 26 GLU Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6705 1 1 1 1 30 PHE Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6705 1 1 1 1 32 GLN Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6705 1 1 1 1 44 VAL Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6705 1 1 1 1 46 ASP Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6705 1 1 1 1 49 ARG Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6705 1 1 1 1 54 ASP Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6705 1 1 1 1 60 ASP Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6705 1 1 1 1 61 GLU Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6705 1 1 1 1 62 GLU Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6705 1 1 1 1 69 GLN Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6705 1 1 1 1 76 ARG Anomalous Consistent Consistent Anomalous Consistent Consistent . . 6705 1 1 1 1 77 GLU Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6705 1 1 1 1 80 GLU Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6705 1 1 1 1 82 GLU Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6705 1 1 1 1 83 THR Anomalous Consistent Consistent Suspicious Anomalous Consistent . . 6705 1 1 1 1 91 ASP Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6705 1 1 1 1 93 ASP Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6705 1 1 1 1 95 ASP Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6705 1 1 1 1 101 GLU Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6705 1 1 1 1 104 GLN Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6705 1 1 1 1 105 GLU Anomalous Consistent Consistent Consistent Anomalous Consistent . . 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 6705 1 1 1 1 5 ASP C 178.99 . 176.41 1.77 1.4494e-01 6705 1 1 1 1 5 ASP CA 58.311 . 54.52 2.1 7.1038e-02 6705 1 1 1 1 5 ASP CB 43.628 . 40.7 1.67 7.9552e-02 6705 1 1 1 1 5 ASP CG 182.72 M 178.41 1.84 1.9161e-02 6705 1 1 1 1 5 ASP H 7.677 . 8.33 0.57 2.5195e-01 6705 1 1 1 1 5 ASP HA 4.51 . 4.61 0.31 7.4701e-01 6705 1 1 1 1 5 ASP HB2 2.724 . 2.74 0.29 9.5600e-01 6705 1 1 1 1 5 ASP HB3 2.661 . 2.7 0.29 8.9302e-01 6705 1 1 1 1 5 ASP N 119.44 . 120.73 4.2 7.5873e-01 6705 1 1 1 1 11 ASP C 181 . 176.41 1.77 9.5082e-03 6705 1 1 1 1 11 ASP CA 59.481 . 54.52 2.1 1.8158e-02 6705 1 1 1 1 11 ASP CB 42.63 . 40.7 1.67 2.4781e-01 6705 1 1 1 1 11 ASP CG 181.68 M 178.41 1.84 7.5540e-02 6705 1 1 1 1 11 ASP H 7.139 . 8.33 0.57 3.6665e-02 6705 1 1 1 1 11 ASP HA 4.248 . 4.61 0.31 2.4291e-01 6705 1 1 1 1 11 ASP HB2 2.498 . 2.74 0.29 4.0401e-01 6705 1 1 1 1 11 ASP HB3 2.514 . 2.7 0.29 5.2128e-01 6705 1 1 1 1 11 ASP N 123.31 . 120.73 4.2 5.3903e-01 6705 1 1 1 1 17 GLN C 181.14 . 176.39 1.96 1.5373e-02 6705 1 1 1 1 17 GLN CA 61.054 . 56.62 2.19 4.2903e-02 6705 1 1 1 1 17 GLN CB 30.37 . 29.1 1.97 5.1914e-01 6705 1 1 1 1 17 GLN CG 35.894 . 33.72 1.1 4.8114e-02 6705 1 1 1 1 17 GLN CD 182.41 M 179.68 1.17 1.9631e-02 6705 1 1 1 1 17 GLN H 8.1 . 8.22 0.62 8.4653e-01 6705 1 1 1 1 17 GLN HA 3.898 . 4.28 0.44 3.8530e-01 6705 1 1 1 1 17 GLN HB2 1.718 . 2.05 0.28 2.3574e-01 6705 1 1 1 1 17 GLN HB3 1.718 . 2.04 0.29 2.6685e-01 6705 1 1 1 1 17 GLN HG2 2.272 . 2.32 0.29 8.6854e-01 6705 1 1 1 1 17 GLN HG3 2.272 . 2.32 0.29 8.6854e-01 6705 1 1 1 1 17 GLN HE21 6.669 . 7.17 0.46 2.7610e-01 6705 1 1 1 1 17 GLN HE22 7.332 . 7.07 0.49 5.9286e-01 6705 1 1 1 1 17 GLN N 120.96 . 119.92 4.01 7.9536e-01 6705 1 1 1 1 17 GLN NE2 111.65 . 111.81 2.2 9.4202e-01 6705 1 1 1 1 18 GLU C 179.18 . 176.93 2.11 2.8627e-01 6705 1 1 1 1 18 GLU CA 60.277 . 57.42 2.19 1.9204e-01 6705 1 1 1 1 18 GLU CB 32.595 . 30.07 1.84 1.6998e-01 6705 1 1 1 1 18 GLU CG 38.631 . 36.01 1.51 8.2606e-02 6705 1 1 1 1 18 GLU CD 185.19 M 181.94 1.85 7.8959e-02 6705 1 1 1 1 18 GLU H 7.31 . 8.34 0.61 9.1311e-02 6705 1 1 1 1 18 GLU HA 4.04 . 4.26 0.43 6.0891e-01 6705 1 1 1 1 18 GLU HB2 1.909 . 2.04 0.22 5.5154e-01 6705 1 1 1 1 18 GLU HB3 2.071 . 2.04 0.23 8.9278e-01 6705 1 1 1 1 18 GLU HG2 2.16 . 2.31 0.21 4.7505e-01 6705 1 1 1 1 18 GLU HG3 2.16 . 2.31 0.21 4.7505e-01 6705 1 1 1 1 18 GLU N 115.9 . 120.68 3.68 1.9397e-01 6705 1 1 1 1 20 ARG C 179.88 . 176.49 2.16 1.1654e-01 6705 1 1 1 1 20 ARG CA 61.76 . 56.95 2.41 4.5950e-02 6705 1 1 1 1 20 ARG CB 32.73 . 30.66 1.77 2.4221e-01 6705 1 1 1 1 20 ARG CG 28.633 . 27.31 1.65 4.2266e-01 6705 1 1 1 1 20 ARG CD 45.72 M 43.1 1.1 1.7227e-02 6705 1 1 1 1 20 ARG H 6.901 . 8.24 0.6 2.5637e-02 6705 1 1 1 1 20 ARG HA 3.979 . 4.27 0.44 5.0838e-01 6705 1 1 1 1 20 ARG HB2 1.663 . 1.79 0.28 6.5014e-01 6705 1 1 1 1 20 ARG HB3 1.853 . 1.78 0.28 7.9431e-01 6705 1 1 1 1 20 ARG HG2 1.559 . 1.58 0.27 9.3801e-01 6705 1 1 1 1 20 ARG HG3 1.559 . 1.58 0.27 9.3801e-01 6705 1 1 1 1 20 ARG HD2 3.06 . 3.13 0.23 7.6086e-01 6705 1 1 1 1 20 ARG HD3 3.06 . 3.13 0.22 7.5035e-01 6705 1 1 1 1 20 ARG N 123.85 . 120.61 3.9 4.0610e-01 6705 1 1 1 1 21 ASP C 176.56 . 176.41 1.77 9.3246e-01 6705 1 1 1 1 21 ASP CA 55.111 . 54.52 2.1 7.7838e-01 6705 1 1 1 1 21 ASP CB 41.681 . 40.7 1.67 5.5692e-01 6705 1 1 1 1 21 ASP CG 181.59 M 178.41 1.84 8.3942e-02 6705 1 1 1 1 21 ASP H 8.172 . 8.33 0.57 7.8163e-01 6705 1 1 1 1 21 ASP HA 4.789 . 4.61 0.31 5.6366e-01 6705 1 1 1 1 21 ASP HB2 2.341 . 2.74 0.29 1.6886e-01 6705 1 1 1 1 21 ASP HB3 2.407 . 2.7 0.29 3.1233e-01 6705 1 1 1 1 21 ASP N 118.45 . 120.73 4.2 5.8723e-01 6705 1 1 1 1 23 ASP C 178.38 . 176.41 1.77 2.6571e-01 6705 1 1 1 1 23 ASP CA 60.762 M 54.52 2.1 2.9550e-03 6705 1 1 1 1 23 ASP CB 40.602 . 40.7 1.67 9.5321e-01 6705 1 1 1 1 23 ASP CG 183.92 M 178.41 1.84 2.7484e-03 6705 1 1 1 1 23 ASP H 7.107 . 8.33 0.57 3.1904e-02 6705 1 1 1 1 23 ASP HA 4.301 . 4.61 0.31 3.1887e-01 6705 1 1 1 1 23 ASP HB2 2.823 . 2.74 0.29 7.7472e-01 6705 1 1 1 1 23 ASP HB3 2.777 . 2.7 0.29 7.9061e-01 6705 1 1 1 1 23 ASP N 114.49 . 120.73 4.2 1.3735e-01 6705 1 1 1 1 26 GLU C 176.02 . 176.93 2.11 6.6626e-01 6705 1 1 1 1 26 GLU CA 54.87 . 57.42 2.19 2.4427e-01 6705 1 1 1 1 26 GLU CB 34.526 . 30.07 1.84 1.5446e-02 6705 1 1 1 1 26 GLU CG 38.612 . 36.01 1.51 8.4856e-02 6705 1 1 1 1 26 GLU CD 186 M 181.94 1.85 2.8193e-02 6705 1 1 1 1 26 GLU H 7.724 . 8.34 0.61 3.1257e-01 6705 1 1 1 1 26 GLU HA 4.333 . 4.26 0.43 8.6519e-01 6705 1 1 1 1 26 GLU HB2 1.485 . 2.04 0.22 1.1645e-02 6705 1 1 1 1 26 GLU HB3 1.757 . 2.04 0.23 2.1853e-01 6705 1 1 1 1 26 GLU HG2 1.902 . 2.31 0.21 5.2033e-02 6705 1 1 1 1 26 GLU HG3 1.952 . 2.31 0.21 8.8239e-02 6705 1 1 1 1 26 GLU N 130.06 . 120.68 3.68 1.0806e-02 6705 1 1 1 1 30 PHE C 182.93 M 175.49 2.13 4.7770e-04 6705 1 1 1 1 30 PHE CA 64.203 . 58.25 2.73 2.9214e-02 6705 1 1 1 1 30 PHE CB 42.413 . 39.95 2.04 2.2730e-01 6705 1 1 1 1 30 PHE CG 139.25 . 138.35 1.12 4.2164e-01 6705 1 1 1 1 30 PHE CD1 130.57 . 131.38 1.38 5.5723e-01 6705 1 1 1 1 30 PHE CD2 130.57 . 131.33 1.48 6.0759e-01 6705 1 1 1 1 30 PHE CE1 131.38 . 130.48 1.29 4.8538e-01 6705 1 1 1 1 30 PHE CE2 131.38 . 130.6 0.97 4.2133e-01 6705 1 1 1 1 30 PHE CZ 128.62 . 129.11 1.68 7.7054e-01 6705 1 1 1 1 30 PHE H 7.576 . 8.42 0.74 2.5406e-01 6705 1 1 1 1 30 PHE HA 4.102 . 4.62 0.58 3.7180e-01 6705 1 1 1 1 30 PHE HB2 2.308 . 2.99 0.37 6.5294e-02 6705 1 1 1 1 30 PHE HB3 2.308 . 2.97 0.38 8.1490e-02 6705 1 1 1 1 30 PHE HD1 6.788 . 6.91 0.82 8.8173e-01 6705 1 1 1 1 30 PHE HD2 6.788 . 6.89 0.86 9.0559e-01 6705 1 1 1 1 30 PHE HE1 6.4 . 6.95 0.82 5.0239e-01 6705 1 1 1 1 30 PHE HE2 6.4 . 6.94 0.86 5.3006e-01 6705 1 1 1 1 30 PHE HZ 5.589 . 6.92 0.8 9.6162e-02 6705 1 1 1 1 30 PHE N 119.18 . 120.69 4.18 7.1792e-01 6705 1 1 1 1 32 GLN C 181.77 . 176.39 1.96 6.0530e-03 6705 1 1 1 1 32 GLN CA 60.771 . 56.62 2.19 5.8035e-02 6705 1 1 1 1 32 GLN CB 30.814 . 29.1 1.97 3.8427e-01 6705 1 1 1 1 32 GLN CG 36.117 . 33.72 1.1 2.9325e-02 6705 1 1 1 1 32 GLN CD 182.69 M 179.68 1.17 1.0092e-02 6705 1 1 1 1 32 GLN H 7.717 . 8.22 0.62 4.1720e-01 6705 1 1 1 1 32 GLN HA 4.154 . 4.28 0.44 7.7460e-01 6705 1 1 1 1 32 GLN HB2 2.067 . 2.05 0.28 9.5159e-01 6705 1 1 1 1 32 GLN HB3 2.018 . 2.04 0.29 9.3953e-01 6705 1 1 1 1 32 GLN HG2 2.247 . 2.32 0.29 8.0125e-01 6705 1 1 1 1 32 GLN HG3 2.304 . 2.32 0.29 9.5600e-01 6705 1 1 1 1 32 GLN HE21 6.631 . 7.17 0.46 2.4130e-01 6705 1 1 1 1 32 GLN HE22 7.411 . 7.07 0.49 4.8648e-01 6705 1 1 1 1 32 GLN N 119.26 . 119.92 4.01 8.6927e-01 6705 1 1 1 1 32 GLN NE2 111.89 . 111.81 2.2 9.7099e-01 6705 1 1 1 1 44 VAL C 180.51 . 175.69 2.03 1.7578e-02 6705 1 1 1 1 44 VAL CA 69.808 M 62.48 3.04 1.5930e-02 6705 1 1 1 1 44 VAL CB 33.732 . 32.66 1.91 5.7462e-01 6705 1 1 1 1 44 VAL CG1 27.133 M 21.38 1.53 1.6982e-04 6705 1 1 1 1 44 VAL CG2 25.105 . 21.31 1.76 3.1064e-02 6705 1 1 1 1 44 VAL H 8.305 . 8.29 0.71 9.8314e-01 6705 1 1 1 1 44 VAL HA 3.358 . 4.16 0.57 1.5942e-01 6705 1 1 1 1 44 VAL HB 1.977 . 1.99 0.33 9.6858e-01 6705 1 1 1 1 44 VAL HG1 0.752 . 0.84 0.27 7.4448e-01 6705 1 1 1 1 44 VAL HG2 0.79 . 0.83 0.29 8.9030e-01 6705 1 1 1 1 44 VAL N 119.88 . 121.02 4.96 8.1822e-01 6705 1 1 1 1 46 ASP C 180.8 . 176.41 1.77 1.3130e-02 6705 1 1 1 1 46 ASP CA 59.396 . 54.52 2.1 2.0238e-02 6705 1 1 1 1 46 ASP CB 41.927 . 40.7 1.67 4.6250e-01 6705 1 1 1 1 46 ASP CG 181.98 M 178.41 1.84 5.2353e-02 6705 1 1 1 1 46 ASP H 7.403 . 8.33 0.57 1.0388e-01 6705 1 1 1 1 46 ASP HA 4.147 . 4.61 0.31 1.3529e-01 6705 1 1 1 1 46 ASP HB2 2.939 . 2.74 0.29 4.9258e-01 6705 1 1 1 1 46 ASP HB3 2.939 . 2.7 0.29 4.0986e-01 6705 1 1 1 1 46 ASP N 119.92 . 120.73 4.2 8.4707e-01 6705 1 1 1 1 49 ARG C 180.6 . 176.49 2.16 5.7070e-02 6705 1 1 1 1 49 ARG CA 61.357 . 56.95 2.41 6.7455e-02 6705 1 1 1 1 49 ARG CB 32.426 . 30.66 1.77 3.1841e-01 6705 1 1 1 1 49 ARG CG 30.477 . 27.31 1.65 5.4935e-02 6705 1 1 1 1 49 ARG CD 45.877 M 43.1 1.1 1.1585e-02 6705 1 1 1 1 49 ARG H 7.653 . 8.24 0.6 3.2791e-01 6705 1 1 1 1 49 ARG HA 3.728 . 4.27 0.44 2.1802e-01 6705 1 1 1 1 49 ARG HB2 1.703 . 1.79 0.28 7.5602e-01 6705 1 1 1 1 49 ARG HB3 1.623 . 1.78 0.28 5.7499e-01 6705 1 1 1 1 49 ARG HG2 1.546 . 1.58 0.27 8.9979e-01 6705 1 1 1 1 49 ARG HG3 1.79 . 1.58 0.27 4.3670e-01 6705 1 1 1 1 49 ARG HD2 3.054 . 3.13 0.23 7.4107e-01 6705 1 1 1 1 49 ARG HD3 3.054 . 3.13 0.22 7.2975e-01 6705 1 1 1 1 49 ARG N 115.53 . 120.61 3.9 1.9272e-01 6705 1 1 1 1 54 ASP C 178.71 . 176.41 1.77 1.9379e-01 6705 1 1 1 1 54 ASP CA 54.997 . 54.52 2.1 8.2031e-01 6705 1 1 1 1 54 ASP CB 42.065 . 40.7 1.67 4.1372e-01 6705 1 1 1 1 54 ASP CG 183.47 M 178.41 1.84 5.9595e-03 6705 1 1 1 1 54 ASP H 7.826 . 8.33 0.57 3.7658e-01 6705 1 1 1 1 54 ASP HA 4.397 . 4.61 0.31 4.9202e-01 6705 1 1 1 1 54 ASP HB2 2.89 . 2.74 0.29 6.0499e-01 6705 1 1 1 1 54 ASP HB3 2.89 . 2.7 0.29 5.1236e-01 6705 1 1 1 1 54 ASP N 113.83 . 120.73 4.2 1.0041e-01 6705 1 1 1 1 60 ASP C 178.33 . 176.41 1.77 2.7803e-01 6705 1 1 1 1 60 ASP CA 53.802 . 54.52 2.1 7.3242e-01 6705 1 1 1 1 60 ASP CB 45.931 . 40.7 1.67 1.7342e-03 6705 1 1 1 1 60 ASP CG 181.33 M 178.41 1.84 1.1252e-01 6705 1 1 1 1 60 ASP H 8.14 . 8.33 0.57 7.3888e-01 6705 1 1 1 1 60 ASP HA 4.807 . 4.61 0.31 5.2511e-01 6705 1 1 1 1 60 ASP HB2 2.392 . 2.74 0.29 2.3014e-01 6705 1 1 1 1 60 ASP HB3 3.017 . 2.7 0.29 2.7435e-01 6705 1 1 1 1 60 ASP N 123.19 . 120.73 4.2 5.5807e-01 6705 1 1 1 1 61 GLU C 180.74 . 176.93 2.11 7.0967e-02 6705 1 1 1 1 61 GLU CA 63.51 . 57.42 2.19 5.4221e-03 6705 1 1 1 1 61 GLU CB 32.084 . 30.07 1.84 2.7371e-01 6705 1 1 1 1 61 GLU CG 40.174 . 36.01 1.51 5.8225e-03 6705 1 1 1 1 61 GLU CD 185.38 M 181.94 1.85 6.2962e-02 6705 1 1 1 1 61 GLU H 8.733 . 8.34 0.61 5.1941e-01 6705 1 1 1 1 61 GLU HA 3.478 . 4.26 0.43 6.8972e-02 6705 1 1 1 1 61 GLU HB2 1.843 . 2.04 0.22 3.7054e-01 6705 1 1 1 1 61 GLU HB3 1.843 . 2.04 0.23 3.9171e-01 6705 1 1 1 1 61 GLU HG2 2.018 . 2.31 0.21 1.6438e-01 6705 1 1 1 1 61 GLU HG3 2.097 . 2.31 0.21 3.1045e-01 6705 1 1 1 1 61 GLU N 117.78 . 120.68 3.68 4.3067e-01 6705 1 1 1 1 62 GLU C 180.7 . 176.93 2.11 7.3981e-02 6705 1 1 1 1 62 GLU CA 61.927 . 57.42 2.19 3.9591e-02 6705 1 1 1 1 62 GLU CB 31.474 . 30.07 1.84 4.4544e-01 6705 1 1 1 1 62 GLU CG 38.485 . 36.01 1.51 1.0120e-01 6705 1 1 1 1 62 GLU CD 185.84 M 181.94 1.85 3.5022e-02 6705 1 1 1 1 62 GLU H 8.013 . 8.34 0.61 5.9191e-01 6705 1 1 1 1 62 GLU HA 3.783 . 4.26 0.43 2.6730e-01 6705 1 1 1 1 62 GLU HB2 1.961 . 2.04 0.22 7.1953e-01 6705 1 1 1 1 62 GLU HB3 1.915 . 2.04 0.23 5.8680e-01 6705 1 1 1 1 62 GLU HG2 2.142 . 2.31 0.21 4.2371e-01 6705 1 1 1 1 62 GLU HG3 2.142 . 2.31 0.21 4.2371e-01 6705 1 1 1 1 62 GLU N 119.98 . 120.68 3.68 8.4914e-01 6705 1 1 1 1 69 GLN C 180.22 . 176.39 1.96 5.0692e-02 6705 1 1 1 1 69 GLN CA 58.784 . 56.62 2.19 3.2309e-01 6705 1 1 1 1 69 GLN CB 29.526 . 29.1 1.97 8.2880e-01 6705 1 1 1 1 69 GLN CG 36.997 . 33.72 1.1 2.8910e-03 6705 1 1 1 1 69 GLN CD 182.38 M 179.68 1.17 2.1016e-02 6705 1 1 1 1 69 GLN H 7.159 . 8.22 0.62 8.7028e-02 6705 1 1 1 1 69 GLN HA 4.452 . 4.28 0.44 6.9586e-01 6705 1 1 1 1 69 GLN HB2 1.958 . 2.05 0.28 7.4248e-01 6705 1 1 1 1 69 GLN HB3 1.958 . 2.04 0.29 7.7736e-01 6705 1 1 1 1 69 GLN HG2 1.886 . 2.32 0.29 1.3451e-01 6705 1 1 1 1 69 GLN HG3 1.782 . 2.32 0.29 6.3572e-02 6705 1 1 1 1 69 GLN HE21 6.929 . 7.17 0.46 6.0034e-01 6705 1 1 1 1 69 GLN HE22 7.068 . 7.07 0.49 9.9674e-01 6705 1 1 1 1 69 GLN N 116.23 . 119.92 4.01 3.5747e-01 6705 1 1 1 1 69 GLN NE2 107.86 . 111.81 2.2 7.2581e-02 6705 1 1 1 1 76 ARG C 178.54 . 176.49 2.16 3.4258e-01 6705 1 1 1 1 76 ARG CA 57.209 . 56.95 2.41 9.1442e-01 6705 1 1 1 1 76 ARG CB 32.65 . 30.66 1.77 2.6089e-01 6705 1 1 1 1 76 ARG CG 29.443 . 27.31 1.65 1.9611e-01 6705 1 1 1 1 76 ARG CD 45.32 . 43.1 1.1 4.3572e-02 6705 1 1 1 1 76 ARG H 8.071 . 8.24 0.6 7.7820e-01 6705 1 1 1 1 76 ARG HA 4.299 . 4.27 0.44 9.4745e-01 6705 1 1 1 1 76 ARG HB2 1.66 . 1.79 0.28 6.4244e-01 6705 1 1 1 1 76 ARG HB3 1.721 . 1.78 0.28 8.3311e-01 6705 1 1 1 1 76 ARG HG2 1.05 . 1.58 0.27 4.9651e-02 6705 1 1 1 1 76 ARG HG3 1.05 . 1.58 0.27 4.9651e-02 6705 1 1 1 1 76 ARG HD2 2.827 . 3.13 0.23 1.8771e-01 6705 1 1 1 1 76 ARG HD3 3.126 . 3.13 0.22 9.8549e-01 6705 1 1 1 1 76 ARG HE 6.391 . 7.32 0.52 7.4012e-02 6705 1 1 1 1 76 ARG HH11 6.058 . 6.74 0.31 2.7807e-02 6705 1 1 1 1 76 ARG HH12 10.727 M 6.75 0.32 1.8390e-35 6705 1 1 1 1 76 ARG HH21 6.187 . 6.72 0.32 9.5788e-02 6705 1 1 1 1 76 ARG HH22 9.18 M 6.72 0.33 9.0178e-14 6705 1 1 1 1 76 ARG N 116.69 . 120.61 3.9 3.1484e-01 6705 1 1 1 1 76 ARG NE 84.38 . 89.8 12.83 6.7270e-01 6705 1 1 1 1 76 ARG NH1 73.792 . 74.78 11.38 9.3082e-01 6705 1 1 1 1 76 ARG NH2 73.894 . 75.84 11.44 8.6493e-01 6705 1 1 1 1 77 GLU C 181.15 . 176.93 2.11 4.5500e-02 6705 1 1 1 1 77 GLU CA 58.77 . 57.42 2.19 5.3761e-01 6705 1 1 1 1 77 GLU CB 33.267 . 30.07 1.84 8.2299e-02 6705 1 1 1 1 77 GLU CG 39.144 . 36.01 1.51 3.7941e-02 6705 1 1 1 1 77 GLU CD 184.93 M 181.94 1.85 1.0605e-01 6705 1 1 1 1 77 GLU H 8.132 . 8.34 0.61 7.3312e-01 6705 1 1 1 1 77 GLU HA 3.956 . 4.26 0.43 4.7958e-01 6705 1 1 1 1 77 GLU HB2 1.513 . 2.04 0.22 1.6600e-02 6705 1 1 1 1 77 GLU HB3 1.711 . 2.04 0.23 1.5259e-01 6705 1 1 1 1 77 GLU HG2 1.865 . 2.31 0.21 3.4086e-02 6705 1 1 1 1 77 GLU HG3 2.191 . 2.31 0.21 5.7094e-01 6705 1 1 1 1 77 GLU N 116.93 . 120.68 3.68 3.0819e-01 6705 1 1 1 1 80 GLU C 181.27 . 176.93 2.11 3.9699e-02 6705 1 1 1 1 80 GLU CA 62.142 . 57.42 2.19 3.1071e-02 6705 1 1 1 1 80 GLU CB 31.623 . 30.07 1.84 3.9866e-01 6705 1 1 1 1 80 GLU CG 38.874 . 36.01 1.51 5.7869e-02 6705 1 1 1 1 80 GLU CD 186.27 M 181.94 1.85 1.9256e-02 6705 1 1 1 1 80 GLU H 8.911 . 8.34 0.61 3.4924e-01 6705 1 1 1 1 80 GLU HA 3.961 . 4.26 0.43 4.8684e-01 6705 1 1 1 1 80 GLU HB2 1.836 . 2.04 0.22 3.5379e-01 6705 1 1 1 1 80 GLU HB3 1.836 . 2.04 0.23 3.7510e-01 6705 1 1 1 1 80 GLU HG2 2.065 . 2.31 0.21 2.4334e-01 6705 1 1 1 1 80 GLU HG3 2.065 . 2.31 0.21 2.4334e-01 6705 1 1 1 1 80 GLU N 121.81 . 120.68 3.68 7.5879e-01 6705 1 1 1 1 82 GLU C 182.17 M 176.93 2.11 1.3013e-02 6705 1 1 1 1 82 GLU CA 61.212 . 57.42 2.19 8.3361e-02 6705 1 1 1 1 82 GLU CB 33.278 . 30.07 1.84 8.1250e-02 6705 1 1 1 1 82 GLU CG 40.602 . 36.01 1.51 2.3575e-03 6705 1 1 1 1 82 GLU CD 185.5 M 181.94 1.85 5.4314e-02 6705 1 1 1 1 82 GLU H 7.699 . 8.34 0.61 2.9334e-01 6705 1 1 1 1 82 GLU HA 3.894 . 4.26 0.43 3.9468e-01 6705 1 1 1 1 82 GLU HB2 1.986 . 2.04 0.22 8.0610e-01 6705 1 1 1 1 82 GLU HB3 1.802 . 2.04 0.23 3.0077e-01 6705 1 1 1 1 82 GLU HG2 2.327 . 2.31 0.21 9.3548e-01 6705 1 1 1 1 82 GLU HG3 2.327 . 2.31 0.21 9.3548e-01 6705 1 1 1 1 82 GLU N 125.04 . 120.68 3.68 2.3610e-01 6705 1 1 1 1 83 THR C 179.32 . 174.6 1.8 8.7358e-03 6705 1 1 1 1 83 THR CA 69.571 M 62.15 2.72 6.3660e-03 6705 1 1 1 1 83 THR CB 70.192 . 69.64 1.7 7.4540e-01 6705 1 1 1 1 83 THR CG2 24.569 . 21.44 1.39 2.4381e-02 6705 1 1 1 1 83 THR H 8.709 . 8.27 0.62 4.7891e-01 6705 1 1 1 1 83 THR HA 3.462 . 4.48 0.5 4.1750e-02 6705 1 1 1 1 83 THR HB 3.997 . 4.17 0.37 6.4009e-01 6705 1 1 1 1 83 THR HG2 -0.107 S 1.16 0.28 6.0396e-06 6705 1 1 1 1 83 THR N 114.82 . 115.7 5.05 8.6166e-01 6705 1 1 1 1 91 ASP C 179.1 . 176.41 1.77 1.2857e-01 6705 1 1 1 1 91 ASP CA 56.598 . 54.52 2.1 3.2241e-01 6705 1 1 1 1 91 ASP CB 41.743 . 40.7 1.67 5.3227e-01 6705 1 1 1 1 91 ASP CG 181.97 M 178.41 1.84 5.3017e-02 6705 1 1 1 1 91 ASP H 8.237 . 8.33 0.57 8.7039e-01 6705 1 1 1 1 91 ASP HA 4.528 . 4.61 0.31 7.9138e-01 6705 1 1 1 1 91 ASP HB2 2.3 . 2.74 0.29 1.2921e-01 6705 1 1 1 1 91 ASP HB3 2.3 . 2.7 0.29 1.6780e-01 6705 1 1 1 1 91 ASP N 116.24 . 120.73 4.2 2.8505e-01 6705 1 1 1 1 93 ASP C 180.49 . 176.41 1.77 2.1162e-02 6705 1 1 1 1 93 ASP CA 55.426 . 54.52 2.1 6.6616e-01 6705 1 1 1 1 93 ASP CB 42.111 . 40.7 1.67 3.9816e-01 6705 1 1 1 1 93 ASP CG 182.47 M 178.41 1.84 2.7347e-02 6705 1 1 1 1 93 ASP H 8.125 . 8.33 0.57 7.1911e-01 6705 1 1 1 1 93 ASP HA 4.465 . 4.61 0.31 6.3997e-01 6705 1 1 1 1 93 ASP HB2 2.468 . 2.74 0.29 3.4828e-01 6705 1 1 1 1 93 ASP HB3 2.468 . 2.7 0.29 4.2371e-01 6705 1 1 1 1 93 ASP N 115.57 . 120.73 4.2 2.1923e-01 6705 1 1 1 1 95 ASP C 179.97 . 176.41 1.77 4.4294e-02 6705 1 1 1 1 95 ASP CA 55.728 . 54.52 2.1 5.6513e-01 6705 1 1 1 1 95 ASP CB 42.589 . 40.7 1.67 2.5800e-01 6705 1 1 1 1 95 ASP CG 183.94 M 178.41 1.84 2.6520e-03 6705 1 1 1 1 95 ASP H 8.194 . 8.33 0.57 8.1142e-01 6705 1 1 1 1 95 ASP HA 4.304 . 4.61 0.31 3.2360e-01 6705 1 1 1 1 95 ASP HB2 2.263 . 2.74 0.29 1.0001e-01 6705 1 1 1 1 95 ASP HB3 2.719 . 2.7 0.29 9.4776e-01 6705 1 1 1 1 95 ASP N 120.21 . 120.73 4.2 9.0147e-01 6705 1 1 1 1 101 GLU C 181.64 . 176.93 2.11 2.5600e-02 6705 1 1 1 1 101 GLU CA 62.193 . 57.42 2.19 2.9298e-02 6705 1 1 1 1 101 GLU CB 30.031 . 30.07 1.84 9.8309e-01 6705 1 1 1 1 101 GLU CG 38.796 . 36.01 1.51 6.5033e-02 6705 1 1 1 1 101 GLU CD 186.6 M 181.94 1.85 1.1772e-02 6705 1 1 1 1 101 GLU H 8.461 . 8.34 0.61 8.4276e-01 6705 1 1 1 1 101 GLU HA 3.86 . 4.26 0.43 3.5225e-01 6705 1 1 1 1 101 GLU HB2 1.843 . 2.04 0.22 3.7054e-01 6705 1 1 1 1 101 GLU HB3 1.843 . 2.04 0.23 3.9171e-01 6705 1 1 1 1 101 GLU HG2 2.171 . 2.31 0.21 5.0803e-01 6705 1 1 1 1 101 GLU HG3 2.171 . 2.31 0.21 5.0803e-01 6705 1 1 1 1 101 GLU N 117.31 . 120.68 3.68 3.5979e-01 6705 1 1 1 1 104 GLN C 179.67 . 176.39 1.96 9.4235e-02 6705 1 1 1 1 104 GLN CA 61.866 M 56.62 2.19 1.6601e-02 6705 1 1 1 1 104 GLN CB 30.228 . 29.1 1.97 5.6692e-01 6705 1 1 1 1 104 GLN CG 35.737 . 33.72 1.1 6.6708e-02 6705 1 1 1 1 104 GLN CD 181.3 M 179.68 1.17 1.6617e-01 6705 1 1 1 1 104 GLN H 7.859 . 8.22 0.62 5.6039e-01 6705 1 1 1 1 104 GLN HA 3.335 . 4.28 0.44 3.1735e-02 6705 1 1 1 1 104 GLN HB2 1.961 . 2.05 0.28 7.5059e-01 6705 1 1 1 1 104 GLN HB3 1.961 . 2.04 0.29 7.8530e-01 6705 1 1 1 1 104 GLN HG2 2.039 . 2.32 0.29 3.3256e-01 6705 1 1 1 1 104 GLN HG3 2.275 . 2.32 0.29 8.7669e-01 6705 1 1 1 1 104 GLN HE21 6.719 . 7.17 0.46 3.2687e-01 6705 1 1 1 1 104 GLN HE22 7.273 . 7.07 0.49 6.7866e-01 6705 1 1 1 1 104 GLN N 117.3 . 119.92 4.01 5.1352e-01 6705 1 1 1 1 104 GLN NE2 110.37 . 111.81 2.2 5.1276e-01 6705 1 1 1 1 105 GLU C 179.66 . 176.93 2.11 1.9572e-01 6705 1 1 1 1 105 GLU CA 59.807 . 57.42 2.19 2.7573e-01 6705 1 1 1 1 105 GLU CB 32.072 . 30.07 1.84 2.7658e-01 6705 1 1 1 1 105 GLU CG 38.682 . 36.01 1.51 7.6805e-02 6705 1 1 1 1 105 GLU CD 186.36 M 181.94 1.85 1.6886e-02 6705 1 1 1 1 105 GLU H 7.932 . 8.34 0.61 5.0359e-01 6705 1 1 1 1 105 GLU HA 3.73 . 4.26 0.43 2.1774e-01 6705 1 1 1 1 105 GLU HB2 1.913 . 2.04 0.22 5.6376e-01 6705 1 1 1 1 105 GLU HB3 1.913 . 2.04 0.23 5.8083e-01 6705 1 1 1 1 105 GLU HG2 2.248 . 2.31 0.21 7.6781e-01 6705 1 1 1 1 105 GLU HG3 2.248 . 2.31 0.21 7.6781e-01 6705 1 1 1 1 105 GLU N 116.97 . 120.68 3.68 3.1338e-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 6705 1 1 1 1 5 ASP CYS 0.6 6705 1 1 1 1 5 ASP GLY 0.38 6705 1 1 1 1 5 ASP ASP 0.01 6705 1 1 1 1 11 ASP CYS 0.83 6705 1 1 1 1 11 ASP GLY 0.12 6705 1 1 1 1 11 ASP ASP 0.03 6705 1 1 1 1 17 GLN GLU 0.51 6705 1 1 1 1 17 GLN CYS 0.48 6705 1 1 1 1 18 GLU CYS 0.93 6705 1 1 1 1 18 GLU GLU 0.06 6705 1 1 1 1 20 ARG GLY 0.63 6705 1 1 1 1 20 ARG CYS 0.35 6705 1 1 1 1 20 ARG ARG 0.01 6705 1 1 1 1 21 ASP CYS 0.55 6705 1 1 1 1 21 ASP ASP 0.43 6705 1 1 1 1 21 ASP GLY 0.01 6705 1 1 1 1 23 ASP CYS 0.98 6705 1 1 1 1 23 ASP GLU 0.01 6705 1 1 1 1 26 GLU CYS 0.99 6705 1 1 1 1 30 PHE PHE 0.75 6705 1 1 1 1 30 PHE CYS 0.15 6705 1 1 1 1 30 PHE GLY 0.09 6705 1 1 1 1 32 GLN GLU 0.5 6705 1 1 1 1 32 GLN CYS 0.49 6705 1 1 1 1 44 VAL CYS 0.96 6705 1 1 1 1 44 VAL VAL 0.03 6705 1 1 1 1 46 ASP CYS 0.91 6705 1 1 1 1 46 ASP ASP 0.04 6705 1 1 1 1 46 ASP GLY 0.03 6705 1 1 1 1 49 ARG GLY 0.58 6705 1 1 1 1 49 ARG CYS 0.41 6705 1 1 1 1 54 ASP CYS 0.86 6705 1 1 1 1 54 ASP ASP 0.08 6705 1 1 1 1 54 ASP GLY 0.04 6705 1 1 1 1 60 ASP GLY 0.83 6705 1 1 1 1 60 ASP CYS 0.15 6705 1 1 1 1 61 GLU CYS 0.99 6705 1 1 1 1 62 GLU CYS 0.95 6705 1 1 1 1 62 GLU GLU 0.04 6705 1 1 1 1 69 GLN GLU 0.51 6705 1 1 1 1 69 GLN CYS 0.47 6705 1 1 1 1 76 ARG GLY 0.47 6705 1 1 1 1 76 ARG CYS 0.46 6705 1 1 1 1 76 ARG ARG 0.06 6705 1 1 1 1 77 GLU CYS 0.96 6705 1 1 1 1 77 GLU GLU 0.03 6705 1 1 1 1 80 GLU CYS 0.98 6705 1 1 1 1 80 GLU GLU 0.01 6705 1 1 1 1 82 GLU CYS 0.99 6705 1 1 1 1 83 THR THR 0.89 6705 1 1 1 1 83 THR CYS 0.1 6705 1 1 1 1 91 ASP CYS 0.74 6705 1 1 1 1 91 ASP ASP 0.23 6705 1 1 1 1 91 ASP GLY 0.01 6705 1 1 1 1 93 ASP CYS 0.74 6705 1 1 1 1 93 ASP ASP 0.21 6705 1 1 1 1 93 ASP GLY 0.04 6705 1 1 1 1 95 ASP CYS 0.85 6705 1 1 1 1 95 ASP GLY 0.11 6705 1 1 1 1 95 ASP ASP 0.02 6705 1 1 1 1 101 GLU CYS 0.98 6705 1 1 1 1 101 GLU GLU 0.01 6705 1 1 1 1 104 GLN CYS 0.51 6705 1 1 1 1 104 GLN GLU 0.45 6705 1 1 1 1 104 GLN GLN 0.02 6705 1 1 1 1 105 GLU CYS 0.96 6705 1 1 1 1 105 GLU GLU 0.03 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6705 _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 6705 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 6705 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6705 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6705 _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_