data_AVS_bmrb_pdb_report_19854 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 19854 _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 12 LYS Anomalous Consistent Consistent Unknown Consistent Anomalous . . 19854 1 1 1 1 14 VAL Anomalous Consistent Consistent Consistent Anomalous Consistent . . 19854 1 1 1 1 22 GLY Anomalous Consistent Consistent Consistent Anomalous Consistent . . 19854 1 1 1 1 28 LYS Anomalous Consistent Consistent Unknown Consistent Anomalous . . 19854 1 1 1 1 33 GLY Anomalous Consistent Consistent Consistent Anomalous Consistent . . 19854 1 1 1 1 38 LYS Anomalous Consistent Consistent Unknown Consistent Anomalous . . 19854 1 1 1 1 62 ASN Anomalous Consistent Consistent Consistent Consistent Anomalous . . 19854 1 1 1 1 68 GLY Anomalous Consistent Consistent Suspicious Anomalous Consistent . . 19854 1 1 1 1 71 LYS Anomalous Consistent Consistent Unknown Suspicious Anomalous . . 19854 1 1 1 1 80 TYR Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 19854 1 1 1 1 85 CYS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 19854 1 1 1 1 94 SER Anomalous Consistent Consistent Consistent Anomalous Consistent . . 19854 1 1 1 1 114 ASN Anomalous Consistent Consistent Consistent Consistent Anomalous . . 19854 1 1 1 1 132 LYS Anomalous Consistent Consistent Unknown Consistent Anomalous . . 19854 1 1 1 1 141 LYS Anomalous Consistent Consistent Unknown Consistent Anomalous . . 19854 1 1 1 1 142 LYS Anomalous Consistent Consistent Unknown Consistent Anomalous . . 19854 1 1 1 1 151 ALA Anomalous Consistent Consistent Suspicious Anomalous Consistent . . 19854 1 1 1 1 152 LYS Anomalous Consistent Consistent Unknown Consistent Anomalous . . 19854 1 1 1 1 167 LYS Anomalous Consistent Consistent Unknown Consistent Anomalous . . 19854 1 1 1 1 170 GLY Anomalous Consistent Consistent Consistent Anomalous Consistent . . 19854 1 1 1 1 205 GLN Anomalous Consistent Consistent Consistent Consistent Anomalous . . 19854 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 12 LYS C 178.609 . 176.64 2 3.2487e-01 19854 1 1 1 1 12 LYS CA 57.808 . 56.95 2.2 6.9654e-01 19854 1 1 1 1 12 LYS H 10.015 . 8.19 0.6 2.3527e-03 19854 1 1 1 1 12 LYS HB2 1.790 . 1.78 0.25 9.6809e-01 19854 1 1 1 1 12 LYS HB3 1.829 . 1.74 0.27 7.4168e-01 19854 1 1 1 1 12 LYS HG2 1.399 . 1.37 0.26 9.1119e-01 19854 1 1 1 1 12 LYS HG3 1.418 . 1.35 0.28 8.0812e-01 19854 1 1 1 1 12 LYS HD2 1.604 . 1.61 0.22 9.7824e-01 19854 1 1 1 1 12 LYS HD3 1.624 . 1.6 0.22 9.1313e-01 19854 1 1 1 1 12 LYS HE2 2.829 . 2.92 0.19 6.3198e-01 19854 1 1 1 1 12 LYS HE3 2.907 . 2.91 0.2 9.8803e-01 19854 1 1 1 1 12 LYS HZ1 7.452 U . 0 . 19854 1 1 1 1 12 LYS HZ2 7.452 U . 0 . 19854 1 1 1 1 12 LYS HZ3 7.452 U . 0 . 19854 1 1 1 1 12 LYS N 129.437 . 121.05 3.77 2.6104e-02 19854 1 1 1 1 12 LYS NZ 49.890 A 33.81 2.81 1.0502e-08 19854 1 1 1 1 14 VAL C 175.393 . 175.62 1.9 9.0490e-01 19854 1 1 1 1 14 VAL CA 70.976 A 62.49 2.86 3.0059e-03 19854 1 1 1 1 14 VAL CB 28.811 . 32.73 1.79 2.8569e-02 19854 1 1 1 1 14 VAL CG1 21.183 . 21.49 1.36 8.2141e-01 19854 1 1 1 1 14 VAL CG2 22.062 . 21.26 1.56 6.0718e-01 19854 1 1 1 1 14 VAL H 8.305 . 8.29 0.67 9.8214e-01 19854 1 1 1 1 14 VAL HG11 0.820 . 0.83 0.26 9.6932e-01 19854 1 1 1 1 14 VAL HG12 0.820 . 0.83 0.26 9.6932e-01 19854 1 1 1 1 14 VAL HG13 0.820 . 0.83 0.26 9.6932e-01 19854 1 1 1 1 14 VAL HG21 0.931 . 0.8 0.28 6.3989e-01 19854 1 1 1 1 14 VAL HG22 0.931 . 0.8 0.28 6.3989e-01 19854 1 1 1 1 14 VAL HG23 0.931 . 0.8 0.28 6.3989e-01 19854 1 1 1 1 14 VAL N 127.310 . 121.14 4.54 1.7414e-01 19854 1 1 1 1 22 GLY C 184.807 A 173.87 1.88 5.9715e-09 19854 1 1 1 1 22 GLY CA 45.209 . 45.35 1.34 9.1620e-01 19854 1 1 1 1 22 GLY H 6.772 . 8.33 0.65 1.6533e-02 19854 1 1 1 1 22 GLY HA2 3.999 . 3.97 0.37 9.3753e-01 19854 1 1 1 1 22 GLY HA3 4.178 . 3.9 0.37 4.5244e-01 19854 1 1 1 1 22 GLY N 112.369 . 109.67 3.87 4.8554e-01 19854 1 1 1 1 28 LYS C 176.566 . 176.64 2 9.7049e-01 19854 1 1 1 1 28 LYS CA 58.092 . 56.95 2.2 6.0370e-01 19854 1 1 1 1 28 LYS CB 34.082 . 32.79 1.78 4.6794e-01 19854 1 1 1 1 28 LYS H 7.429 . 8.19 0.6 2.0468e-01 19854 1 1 1 1 28 LYS HB2 1.767 . 1.78 0.25 9.5853e-01 19854 1 1 1 1 28 LYS HB3 1.798 . 1.74 0.27 8.2991e-01 19854 1 1 1 1 28 LYS HG2 1.203 . 1.37 0.26 5.2067e-01 19854 1 1 1 1 28 LYS HG3 1.227 . 1.35 0.28 6.6045e-01 19854 1 1 1 1 28 LYS HD2 1.547 . 1.61 0.22 7.7460e-01 19854 1 1 1 1 28 LYS HD3 1.563 . 1.6 0.22 8.6644e-01 19854 1 1 1 1 28 LYS HE2 3.030 . 2.92 0.19 5.6262e-01 19854 1 1 1 1 28 LYS HE3 3.077 . 2.91 0.2 4.0372e-01 19854 1 1 1 1 28 LYS HZ1 7.501 U . 0 . 19854 1 1 1 1 28 LYS HZ2 7.501 U . 0 . 19854 1 1 1 1 28 LYS HZ3 7.501 U . 0 . 19854 1 1 1 1 28 LYS N 114.228 . 121.05 3.77 7.0366e-02 19854 1 1 1 1 28 LYS NZ 59.203 A 33.81 2.81 1.6154e-19 19854 1 1 1 1 33 GLY C 161.914 A 173.87 1.88 2.0231e-10 19854 1 1 1 1 33 GLY CA 42.866 . 45.35 1.34 6.3778e-02 19854 1 1 1 1 33 GLY H 9.662 . 8.33 0.65 4.0440e-02 19854 1 1 1 1 33 GLY HA2 3.991 . 3.97 0.37 9.5474e-01 19854 1 1 1 1 33 GLY HA3 4.171 . 3.9 0.37 4.6390e-01 19854 1 1 1 1 33 GLY N 107.841 . 109.67 3.87 6.3649e-01 19854 1 1 1 1 38 LYS C 176.273 . 176.64 2 8.5441e-01 19854 1 1 1 1 38 LYS CA 59.849 . 56.95 2.2 1.8759e-01 19854 1 1 1 1 38 LYS CB 34.668 . 32.79 1.78 2.9140e-01 19854 1 1 1 1 38 LYS CD 29.095 . 28.96 1.08 9.0052e-01 19854 1 1 1 1 38 LYS CE 41.695 . 41.89 0.82 8.1203e-01 19854 1 1 1 1 38 LYS H 7.715 . 8.19 0.6 4.2856e-01 19854 1 1 1 1 38 LYS HB2 1.828 . 1.78 0.25 8.4774e-01 19854 1 1 1 1 38 LYS HB3 1.945 . 1.74 0.27 4.4770e-01 19854 1 1 1 1 38 LYS HG2 1.210 . 1.37 0.26 5.3830e-01 19854 1 1 1 1 38 LYS HG3 1.405 . 1.35 0.28 8.4427e-01 19854 1 1 1 1 38 LYS HD2 1.476 . 1.61 0.22 5.4246e-01 19854 1 1 1 1 38 LYS HD3 1.601 . 1.6 0.22 9.9637e-01 19854 1 1 1 1 38 LYS HE2 2.991 . 2.92 0.19 7.0864e-01 19854 1 1 1 1 38 LYS HE3 3.124 . 2.91 0.2 2.8462e-01 19854 1 1 1 1 38 LYS HZ1 7.364 U . 0 . 19854 1 1 1 1 38 LYS HZ2 7.364 U . 0 . 19854 1 1 1 1 38 LYS HZ3 7.364 U . 0 . 19854 1 1 1 1 38 LYS N 128.052 . 121.05 3.77 6.3269e-02 19854 1 1 1 1 38 LYS NZ 52.396 A 33.81 2.81 3.7348e-11 19854 1 1 1 1 62 ASN C 173.336 . 175.27 1.79 2.7994e-01 19854 1 1 1 1 62 ASN CA 53.121 . 53.54 1.88 8.2363e-01 19854 1 1 1 1 62 ASN CB 41.695 . 38.69 1.69 7.5386e-02 19854 1 1 1 1 62 ASN H 8.325 . 8.34 0.63 9.8100e-01 19854 1 1 1 1 62 ASN HB2 2.924 . 2.81 0.31 7.1307e-01 19854 1 1 1 1 62 ASN HB3 2.862 . 2.75 0.33 7.3431e-01 19854 1 1 1 1 62 ASN HD21 7.300 . 7.35 0.48 9.1704e-01 19854 1 1 1 1 62 ASN HD22 7.370 . 7.14 0.49 6.3879e-01 19854 1 1 1 1 62 ASN N 124.789 . 118.93 4.03 1.4599e-01 19854 1 1 1 1 62 ASN ND2 98.293 A 112.75 2.23 8.9941e-11 19854 1 1 1 1 68 GLY C 189.533 A 173.87 1.88 7.9903e-17 19854 1 1 1 1 68 GLY CA 45.209 . 45.35 1.34 9.1620e-01 19854 1 1 1 1 68 GLY H 10.969 S 8.33 0.65 4.9073e-05 19854 1 1 1 1 68 GLY HA2 4.085 . 3.97 0.37 7.5594e-01 19854 1 1 1 1 68 GLY HA3 3.804 . 3.9 0.37 7.9528e-01 19854 1 1 1 1 68 GLY N 115.357 . 109.67 3.87 1.4169e-01 19854 1 1 1 1 71 LYS C 175.979 . 176.64 2 7.4102e-01 19854 1 1 1 1 71 LYS CA 48.722 S 56.95 2.2 1.8402e-04 19854 1 1 1 1 71 LYS CB 37.010 . 32.79 1.78 1.7750e-02 19854 1 1 1 1 71 LYS H 8.712 . 8.19 0.6 3.8430e-01 19854 1 1 1 1 71 LYS HB2 1.877 . 1.78 0.25 6.9802e-01 19854 1 1 1 1 71 LYS HB3 1.901 . 1.74 0.27 5.5098e-01 19854 1 1 1 1 71 LYS HG2 1.343 . 1.37 0.26 9.1729e-01 19854 1 1 1 1 71 LYS HG3 1.382 . 1.35 0.28 9.0901e-01 19854 1 1 1 1 71 LYS HD2 1.687 . 1.61 0.22 7.2634e-01 19854 1 1 1 1 71 LYS HD3 1.735 . 1.6 0.22 5.3946e-01 19854 1 1 1 1 71 LYS HE2 2.759 . 2.92 0.19 3.9679e-01 19854 1 1 1 1 71 LYS HE3 2.954 . 2.91 0.2 8.2587e-01 19854 1 1 1 1 71 LYS HZ1 7.511 U . 0 . 19854 1 1 1 1 71 LYS HZ2 7.511 U . 0 . 19854 1 1 1 1 71 LYS HZ3 7.511 U . 0 . 19854 1 1 1 1 71 LYS N 116.685 . 121.05 3.77 2.4694e-01 19854 1 1 1 1 71 LYS NZ 49.002 A 33.81 2.81 6.4302e-08 19854 1 1 1 1 80 TYR C 175.979 . 175.4 1.99 7.7109e-01 19854 1 1 1 1 80 TYR CA 62.203 . 58.13 2.51 1.0465e-01 19854 1 1 1 1 80 TYR CB 41.988 . 39.32 2.16 2.1676e-01 19854 1 1 1 1 80 TYR CD1 136.715 S 132.77 1.17 7.4680e-04 19854 1 1 1 1 80 TYR CD2 137.886 A 132.73 1.3 7.3042e-05 19854 1 1 1 1 80 TYR CE1 118.257 . 117.93 1.19 7.8348e-01 19854 1 1 1 1 80 TYR CE2 119.136 . 117.9 1.18 2.9489e-01 19854 1 1 1 1 80 TYR CZ 156.343 . 156.76 1.99 8.3402e-01 19854 1 1 1 1 80 TYR H 8.254 . 8.32 0.73 9.2796e-01 19854 1 1 1 1 80 TYR HB2 2.953 . 2.91 0.37 9.0748e-01 19854 1 1 1 1 80 TYR HB3 2.984 . 2.84 0.39 7.1196e-01 19854 1 1 1 1 80 TYR HD1 6.880 . 6.93 0.3 8.6763e-01 19854 1 1 1 1 80 TYR HD2 6.958 . 6.93 0.3 9.2564e-01 19854 1 1 1 1 80 TYR HE1 6.752 . 6.7 0.23 8.2113e-01 19854 1 1 1 1 80 TYR HE2 6.408 . 6.71 0.23 1.8917e-01 19854 1 1 1 1 80 TYR HH 11.462 . 9.3 1.36 1.1190e-01 19854 1 1 1 1 80 TYR N 122.132 . 120.52 4.2 7.0112e-01 19854 1 1 1 1 85 CYS C 176.566 . 174.95 2.07 4.3499e-01 19854 1 1 1 1 85 CYS CA 65.430 . 58.3 3.33 3.2263e-02 19854 1 1 1 1 85 CYS CB 39.644 . 32.49 6.01 2.3391e-01 19854 1 1 1 1 85 CYS H 8.364 . 8.39 0.67 9.6905e-01 19854 1 1 1 1 85 CYS HB2 7.308 A 2.96 0.44 4.9919e-23 19854 1 1 1 1 85 CYS HB3 7.558 A 2.89 0.46 3.3883e-24 19854 1 1 1 1 85 CYS N 120.605 . 120.17 4.64 9.2531e-01 19854 1 1 1 1 94 SER C 163.965 A 174.62 1.72 5.8371e-10 19854 1 1 1 1 94 SER CA 59.849 . 58.72 2.07 5.8547e-01 19854 1 1 1 1 94 SER CB 62.192 . 63.8 1.48 2.7726e-01 19854 1 1 1 1 94 SER H 7.628 . 8.28 0.59 2.6912e-01 19854 1 1 1 1 94 SER HB2 3.624 . 3.88 0.25 3.0584e-01 19854 1 1 1 1 94 SER HB3 3.922 . 3.85 0.27 7.8973e-01 19854 1 1 1 1 94 SER N 122.263 . 116.28 3.52 8.9184e-02 19854 1 1 1 1 114 ASN C 175.100 . 175.27 1.79 9.2434e-01 19854 1 1 1 1 114 ASN CA 52.236 . 53.54 1.88 4.8792e-01 19854 1 1 1 1 114 ASN CB 39.938 . 38.69 1.69 4.6023e-01 19854 1 1 1 1 114 ASN H 8.919 . 8.34 0.63 3.5807e-01 19854 1 1 1 1 114 ASN HB2 2.650 . 2.81 0.31 6.0576e-01 19854 1 1 1 1 114 ASN HB3 2.640 . 2.75 0.33 7.3888e-01 19854 1 1 1 1 114 ASN HD21 7.355 . 7.35 0.48 9.9169e-01 19854 1 1 1 1 114 ASN HD22 7.188 . 7.14 0.49 9.2196e-01 19854 1 1 1 1 114 ASN N 129.302 . 118.93 4.03 1.0062e-02 19854 1 1 1 1 114 ASN ND2 1114.29 A 112.75 2.23 0.0000e+00 19854 1 1 1 1 132 LYS C 176.273 . 176.64 2 8.5441e-01 19854 1 1 1 1 132 LYS CA 59.849 . 56.95 2.2 1.8759e-01 19854 1 1 1 1 132 LYS CB 35.253 . 32.79 1.78 1.6645e-01 19854 1 1 1 1 132 LYS H 9.709 . 8.19 0.6 1.1352e-02 19854 1 1 1 1 132 LYS HB2 1.687 . 1.78 0.25 7.0989e-01 19854 1 1 1 1 132 LYS HB3 1.890 . 1.74 0.27 5.7851e-01 19854 1 1 1 1 132 LYS HG2 1.155 . 1.37 0.26 4.0828e-01 19854 1 1 1 1 132 LYS HG3 1.258 . 1.35 0.28 7.4248e-01 19854 1 1 1 1 132 LYS HD2 1.319 . 1.61 0.22 1.8593e-01 19854 1 1 1 1 132 LYS HD3 1.382 . 1.6 0.22 3.2173e-01 19854 1 1 1 1 132 LYS HE2 3.053 . 2.92 0.19 4.8393e-01 19854 1 1 1 1 132 LYS HE3 3.100 . 2.91 0.2 3.4211e-01 19854 1 1 1 1 132 LYS HZ1 7.228 U . 0 . 19854 1 1 1 1 132 LYS HZ2 7.228 U . 0 . 19854 1 1 1 1 132 LYS HZ3 7.228 U . 0 . 19854 1 1 1 1 132 LYS N 110.310 . 121.05 3.77 4.3884e-03 19854 1 1 1 1 132 LYS NZ 49.592 A 33.81 2.81 1.9501e-08 19854 1 1 1 1 141 LYS C 173.635 . 176.64 2 1.3297e-01 19854 1 1 1 1 141 LYS CA 58.092 . 56.95 2.2 6.0370e-01 19854 1 1 1 1 141 LYS CB 33.496 . 32.79 1.78 6.9164e-01 19854 1 1 1 1 141 LYS H 7.449 . 8.19 0.6 2.1683e-01 19854 1 1 1 1 141 LYS HB2 1.735 . 1.78 0.25 8.5715e-01 19854 1 1 1 1 141 LYS HB3 1.807 . 1.74 0.27 8.0402e-01 19854 1 1 1 1 141 LYS HG2 1.311 . 1.37 0.26 8.2048e-01 19854 1 1 1 1 141 LYS HG3 1.515 . 1.35 0.28 5.5567e-01 19854 1 1 1 1 141 LYS HD2 1.538 . 1.61 0.22 7.4346e-01 19854 1 1 1 1 141 LYS HD3 1.625 . 1.6 0.22 9.0953e-01 19854 1 1 1 1 141 LYS HE2 2.834 . 2.92 0.19 6.5081e-01 19854 1 1 1 1 141 LYS HE3 2.968 . 2.91 0.2 7.7182e-01 19854 1 1 1 1 141 LYS HZ1 7.306 U . 0 . 19854 1 1 1 1 141 LYS HZ2 7.306 U . 0 . 19854 1 1 1 1 141 LYS HZ3 7.306 U . 0 . 19854 1 1 1 1 141 LYS N 115.623 . 121.05 3.77 1.5000e-01 19854 1 1 1 1 141 LYS NZ 49.238 A 33.81 2.81 4.0104e-08 19854 1 1 1 1 142 LYS C 175.979 . 176.64 2 7.4102e-01 19854 1 1 1 1 142 LYS CA 51.065 . 56.95 2.2 7.4729e-03 19854 1 1 1 1 142 LYS CB 34.668 . 32.79 1.78 2.9140e-01 19854 1 1 1 1 142 LYS H 8.982 . 8.19 0.6 1.8683e-01 19854 1 1 1 1 142 LYS HB2 1.679 . 1.78 0.25 6.8621e-01 19854 1 1 1 1 142 LYS HB3 1.922 . 1.74 0.27 5.0026e-01 19854 1 1 1 1 142 LYS HG2 1.233 . 1.37 0.26 5.9825e-01 19854 1 1 1 1 142 LYS HG3 1.351 . 1.35 0.28 9.9715e-01 19854 1 1 1 1 142 LYS HD2 1.523 . 1.61 0.22 6.9251e-01 19854 1 1 1 1 142 LYS HD3 1.570 . 1.6 0.22 8.9153e-01 19854 1 1 1 1 142 LYS HE2 2.991 . 2.92 0.19 7.0864e-01 19854 1 1 1 1 142 LYS HE3 3.092 . 2.91 0.2 3.6282e-01 19854 1 1 1 1 142 LYS HZ1 7.355 U . 0 . 19854 1 1 1 1 142 LYS HZ2 7.355 U . 0 . 19854 1 1 1 1 142 LYS HZ3 7.355 U . 0 . 19854 1 1 1 1 142 LYS N 114.162 . 121.05 3.77 6.7692e-02 19854 1 1 1 1 142 LYS NZ 49.223 A 33.81 2.81 4.1334e-08 19854 1 1 1 1 151 ALA C 160.742 A 177.74 2.13 1.4600e-15 19854 1 1 1 1 151 ALA CA 53.993 . 53.14 1.98 6.6661e-01 19854 1 1 1 1 151 ALA CB 22.369 . 19.01 1.83 6.6429e-02 19854 1 1 1 1 151 ALA H 10.640 S 8.2 0.6 4.7690e-05 19854 1 1 1 1 151 ALA HB1 1.200 . 1.35 0.26 5.6399e-01 19854 1 1 1 1 151 ALA HB2 1.200 . 1.35 0.26 5.6399e-01 19854 1 1 1 1 151 ALA HB3 1.200 . 1.35 0.26 5.6399e-01 19854 1 1 1 1 151 ALA N 131.162 . 123.23 3.54 2.5047e-02 19854 1 1 1 1 152 LYS C 174.221 . 176.64 2 2.2647e-01 19854 1 1 1 1 152 LYS CA 59.849 . 56.95 2.2 1.8759e-01 19854 1 1 1 1 152 LYS CB 34.668 . 32.79 1.78 2.9140e-01 19854 1 1 1 1 152 LYS H 9.099 . 8.19 0.6 1.2977e-01 19854 1 1 1 1 152 LYS HB2 1.945 . 1.78 0.25 5.0925e-01 19854 1 1 1 1 152 LYS HB3 1.969 . 1.74 0.27 3.9636e-01 19854 1 1 1 1 152 LYS HG2 1.274 . 1.37 0.26 7.1196e-01 19854 1 1 1 1 152 LYS HG3 1.289 . 1.35 0.28 8.2754e-01 19854 1 1 1 1 152 LYS HD2 1.344 . 1.61 0.22 2.2663e-01 19854 1 1 1 1 152 LYS HD3 1.430 . 1.6 0.22 4.3968e-01 19854 1 1 1 1 152 LYS HE2 3.163 . 2.92 0.19 2.0092e-01 19854 1 1 1 1 152 LYS HE3 3.186 . 2.91 0.2 1.6759e-01 19854 1 1 1 1 152 LYS HZ1 7.462 U . 0 . 19854 1 1 1 1 152 LYS HZ2 7.462 U . 0 . 19854 1 1 1 1 152 LYS HZ3 7.462 U . 0 . 19854 1 1 1 1 152 LYS N 121.400 . 121.05 3.77 9.2603e-01 19854 1 1 1 1 152 LYS NZ 49.220 A 33.81 2.81 4.1585e-08 19854 1 1 1 1 167 LYS C 176.273 . 176.64 2 8.5441e-01 19854 1 1 1 1 167 LYS CA 58.092 . 56.95 2.2 6.0370e-01 19854 1 1 1 1 167 LYS CB 34.668 . 32.79 1.78 2.9140e-01 19854 1 1 1 1 167 LYS H 6.819 . 8.19 0.6 2.2313e-02 19854 1 1 1 1 167 LYS HB2 1.546 . 1.78 0.25 3.4927e-01 19854 1 1 1 1 167 LYS HB3 1.898 . 1.74 0.27 5.5842e-01 19854 1 1 1 1 167 LYS HG2 1.264 . 1.37 0.26 6.8350e-01 19854 1 1 1 1 167 LYS HG3 1.327 . 1.35 0.28 9.3453e-01 19854 1 1 1 1 167 LYS HD2 1.413 . 1.61 0.22 3.7054e-01 19854 1 1 1 1 167 LYS HD3 1.507 . 1.6 0.22 6.7249e-01 19854 1 1 1 1 167 LYS HE2 2.999 . 2.92 0.19 6.7756e-01 19854 1 1 1 1 167 LYS HE3 3.178 . 2.91 0.2 1.8025e-01 19854 1 1 1 1 167 LYS HZ1 7.316 U . 0 . 19854 1 1 1 1 167 LYS HZ2 7.316 U . 0 . 19854 1 1 1 1 167 LYS HZ3 7.316 U . 0 . 19854 1 1 1 1 167 LYS N 112.568 . 121.05 3.77 2.4457e-02 19854 1 1 1 1 167 LYS NZ 46.773 A 33.81 2.81 3.9658e-06 19854 1 1 1 1 170 GLY C 162.496 A 173.87 1.88 1.4485e-09 19854 1 1 1 1 170 GLY CA 44.037 . 45.35 1.34 3.2716e-01 19854 1 1 1 1 170 GLY H 6.686 . 8.33 0.65 1.1431e-02 19854 1 1 1 1 170 GLY HA2 4.022 . 3.97 0.37 8.8823e-01 19854 1 1 1 1 170 GLY HA3 3.822 . 3.9 0.37 8.3303e-01 19854 1 1 1 1 170 GLY N 113.099 . 109.67 3.87 3.7559e-01 19854 1 1 1 1 205 GLN C 177.418 . 176.31 1.95 5.6990e-01 19854 1 1 1 1 205 GLN CA 57.515 . 56.57 2.14 6.5879e-01 19854 1 1 1 1 205 GLN CB 33.785 . 29.19 1.82 1.1579e-02 19854 1 1 1 1 205 GLN CD 179.902 . 179.69 1.29 8.6946e-01 19854 1 1 1 1 205 GLN H 8.160 . 8.22 0.59 9.1900e-01 19854 1 1 1 1 205 GLN HB2 2.256 . 2.05 0.25 4.0994e-01 19854 1 1 1 1 205 GLN HB3 2.373 . 2.02 0.28 2.0741e-01 19854 1 1 1 1 205 GLN HG2 2.370 . 2.32 0.27 8.5308e-01 19854 1 1 1 1 205 GLN HG3 2.634 . 2.29 0.29 2.3554e-01 19854 1 1 1 1 205 GLN HE21 7.345 . 7.24 0.45 8.1550e-01 19854 1 1 1 1 205 GLN HE22 7.775 . 7.02 0.44 8.6179e-02 19854 1 1 1 1 205 GLN N 123.328 . 119.89 3.6 3.3958e-01 19854 1 1 1 1 205 GLN NE2 128.392 A 111.87 1.72 7.5559e-22 19854 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 12 LYS TRP 0.1 19854 1 1 1 1 12 LYS PHE 0.1 19854 1 1 1 1 12 LYS TYR 0.1 19854 1 1 1 1 12 LYS CYS 0.09 19854 1 1 1 1 12 LYS GLU 0.09 19854 1 1 1 1 12 LYS LYS 0.07 19854 1 1 1 1 12 LYS SER 0.07 19854 1 1 1 1 12 LYS ARG 0.07 19854 1 1 1 1 12 LYS HIS 0.06 19854 1 1 1 1 12 LYS GLN 0.06 19854 1 1 1 1 12 LYS MET 0.05 19854 1 1 1 1 12 LYS LEU 0.03 19854 1 1 1 1 12 LYS ILE 0.01 19854 1 1 1 1 12 LYS ASP 0.01 19854 1 1 1 1 12 LYS VAL 0.01 19854 1 1 1 1 14 VAL VAL 0.92 19854 1 1 1 1 14 VAL CYS 0.07 19854 1 1 1 1 22 GLY GLY 0.81 19854 1 1 1 1 22 GLY LEU 0.1 19854 1 1 1 1 22 GLY CYS 0.03 19854 1 1 1 1 22 GLY ARG 0.01 19854 1 1 1 1 22 GLY PHE 0.01 19854 1 1 1 1 28 LYS CYS 0.24 19854 1 1 1 1 28 LYS GLN 0.18 19854 1 1 1 1 28 LYS LYS 0.16 19854 1 1 1 1 28 LYS MET 0.15 19854 1 1 1 1 28 LYS VAL 0.05 19854 1 1 1 1 28 LYS GLU 0.05 19854 1 1 1 1 28 LYS ARG 0.03 19854 1 1 1 1 28 LYS HIS 0.03 19854 1 1 1 1 28 LYS TRP 0.03 19854 1 1 1 1 28 LYS TYR 0.01 19854 1 1 1 1 33 GLY LEU 0.31 19854 1 1 1 1 33 GLY ARG 0.3 19854 1 1 1 1 33 GLY LYS 0.09 19854 1 1 1 1 33 GLY ASP 0.09 19854 1 1 1 1 33 GLY PHE 0.06 19854 1 1 1 1 33 GLY TYR 0.04 19854 1 1 1 1 33 GLY CYS 0.03 19854 1 1 1 1 33 GLY GLY 0.02 19854 1 1 1 1 33 GLY ILE 0.01 19854 1 1 1 1 38 LYS CYS 0.58 19854 1 1 1 1 38 LYS LYS 0.39 19854 1 1 1 1 38 LYS ARG 0.01 19854 1 1 1 1 62 ASN ASP 0.34 19854 1 1 1 1 62 ASN LEU 0.25 19854 1 1 1 1 62 ASN LYS 0.11 19854 1 1 1 1 62 ASN ASN 0.1 19854 1 1 1 1 62 ASN PHE 0.05 19854 1 1 1 1 62 ASN CYS 0.04 19854 1 1 1 1 62 ASN TYR 0.03 19854 1 1 1 1 62 ASN ARG 0.03 19854 1 1 1 1 68 GLY GLY 0.81 19854 1 1 1 1 68 GLY LEU 0.1 19854 1 1 1 1 68 GLY CYS 0.03 19854 1 1 1 1 68 GLY ARG 0.01 19854 1 1 1 1 68 GLY PHE 0.01 19854 1 1 1 1 71 LYS ASN 0.45 19854 1 1 1 1 71 LYS CYS 0.24 19854 1 1 1 1 71 LYS GLY 0.23 19854 1 1 1 1 71 LYS MET 0.01 19854 1 1 1 1 71 LYS ASP 0.01 19854 1 1 1 1 71 LYS TYR 0.01 19854 1 1 1 1 80 TYR CYS 0.92 19854 1 1 1 1 80 TYR GLY 0.07 19854 1 1 1 1 85 CYS ILE 0.79 19854 1 1 1 1 85 CYS CYS 0.12 19854 1 1 1 1 85 CYS PHE 0.04 19854 1 1 1 1 85 CYS TYR 0.03 19854 1 1 1 1 94 SER SER 0.99 19854 1 1 1 1 114 ASN ASN 0.43 19854 1 1 1 1 114 ASN ASP 0.29 19854 1 1 1 1 114 ASN LEU 0.09 19854 1 1 1 1 114 ASN CYS 0.06 19854 1 1 1 1 114 ASN PHE 0.05 19854 1 1 1 1 114 ASN TYR 0.04 19854 1 1 1 1 132 LYS CYS 0.34 19854 1 1 1 1 132 LYS GLU 0.16 19854 1 1 1 1 132 LYS VAL 0.1 19854 1 1 1 1 132 LYS ILE 0.08 19854 1 1 1 1 132 LYS LYS 0.06 19854 1 1 1 1 132 LYS MET 0.06 19854 1 1 1 1 132 LYS TYR 0.05 19854 1 1 1 1 132 LYS GLN 0.05 19854 1 1 1 1 132 LYS PHE 0.02 19854 1 1 1 1 132 LYS TRP 0.01 19854 1 1 1 1 141 LYS CYS 0.22 19854 1 1 1 1 141 LYS LYS 0.18 19854 1 1 1 1 141 LYS GLN 0.17 19854 1 1 1 1 141 LYS MET 0.15 19854 1 1 1 1 141 LYS VAL 0.06 19854 1 1 1 1 141 LYS ARG 0.06 19854 1 1 1 1 141 LYS HIS 0.05 19854 1 1 1 1 141 LYS TRP 0.05 19854 1 1 1 1 141 LYS GLU 0.02 19854 1 1 1 1 142 LYS CYS 0.31 19854 1 1 1 1 142 LYS MET 0.2 19854 1 1 1 1 142 LYS PRO 0.15 19854 1 1 1 1 142 LYS GLN 0.09 19854 1 1 1 1 142 LYS ASN 0.08 19854 1 1 1 1 142 LYS LYS 0.05 19854 1 1 1 1 142 LYS HIS 0.02 19854 1 1 1 1 142 LYS GLU 0.01 19854 1 1 1 1 142 LYS ARG 0.01 19854 1 1 1 1 151 ALA LEU 0.58 19854 1 1 1 1 151 ALA ALA 0.21 19854 1 1 1 1 151 ALA CYS 0.13 19854 1 1 1 1 151 ALA LYS 0.04 19854 1 1 1 1 151 ALA VAL 0.01 19854 1 1 1 1 152 LYS CYS 0.34 19854 1 1 1 1 152 LYS VAL 0.14 19854 1 1 1 1 152 LYS LYS 0.09 19854 1 1 1 1 152 LYS GLU 0.09 19854 1 1 1 1 152 LYS GLN 0.09 19854 1 1 1 1 152 LYS MET 0.07 19854 1 1 1 1 152 LYS ILE 0.04 19854 1 1 1 1 152 LYS TYR 0.03 19854 1 1 1 1 152 LYS TRP 0.01 19854 1 1 1 1 152 LYS ARG 0.01 19854 1 1 1 1 152 LYS HIS 0.01 19854 1 1 1 1 152 LYS PHE 0.01 19854 1 1 1 1 167 LYS CYS 0.26 19854 1 1 1 1 167 LYS GLN 0.15 19854 1 1 1 1 167 LYS MET 0.14 19854 1 1 1 1 167 LYS LYS 0.14 19854 1 1 1 1 167 LYS GLU 0.12 19854 1 1 1 1 167 LYS VAL 0.04 19854 1 1 1 1 167 LYS TYR 0.02 19854 1 1 1 1 167 LYS ARG 0.02 19854 1 1 1 1 167 LYS HIS 0.02 19854 1 1 1 1 167 LYS TRP 0.01 19854 1 1 1 1 167 LYS ILE 0.01 19854 1 1 1 1 167 LYS PHE 0.01 19854 1 1 1 1 170 GLY LEU 0.29 19854 1 1 1 1 170 GLY GLY 0.27 19854 1 1 1 1 170 GLY ARG 0.26 19854 1 1 1 1 170 GLY CYS 0.04 19854 1 1 1 1 170 GLY PHE 0.04 19854 1 1 1 1 170 GLY ASP 0.04 19854 1 1 1 1 170 GLY TYR 0.02 19854 1 1 1 1 205 GLN CYS 0.82 19854 1 1 1 1 205 GLN GLU 0.1 19854 1 1 1 1 205 GLN GLN 0.07 19854 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 19854 _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 19854 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 19854 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 19854 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 19854 _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_