data_AVS_bmrb_pdb_report_5514 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 5514 _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 5514 1 1 1 1 3 LYS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 5514 1 1 1 1 6 GLU Anomalous Consistent Consistent Consistent Anomalous Consistent . . 5514 1 1 1 1 7 LEU Anomalous Consistent Consistent Consistent Anomalous Consistent . . 5514 1 1 1 1 8 PHE Anomalous Consistent Consistent Consistent Anomalous Consistent . . 5514 1 1 1 1 15 LEU Anomalous Consistent Consistent Consistent Suspicious Anomalous . . 5514 1 1 1 1 19 ASP Anomalous Consistent Consistent Consistent Consistent Anomalous . . 5514 1 1 1 1 23 ASN Anomalous Consistent Consistent Consistent Consistent Anomalous . . 5514 1 1 1 1 27 PHE Anomalous Consistent Consistent Consistent Anomalous Consistent . . 5514 1 1 1 1 37 ALA Anomalous Consistent Consistent Suspicious Anomalous Anomalous . . 5514 1 1 1 1 53 LEU Anomalous Consistent Consistent Consistent Anomalous Anomalous . . 5514 1 1 1 1 79 LYS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 5514 1 1 1 1 80 ARG Anomalous Consistent Consistent Consistent Anomalous Consistent . . 5514 1 1 1 1 83 PHE Anomalous Consistent Consistent Consistent Consistent Anomalous . . 5514 1 1 1 1 84 PHE Anomalous Consistent Consistent Consistent Anomalous Consistent . . 5514 1 1 1 1 85 LYS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 5514 1 1 1 1 86 SER Anomalous Consistent Consistent Consistent Anomalous Consistent . . 5514 1 1 1 1 88 MET Anomalous Consistent Consistent Consistent Anomalous Consistent . . 5514 1 1 1 1 94 GLN Anomalous Consistent Consistent Consistent Anomalous Anomalous . . 5514 1 1 1 1 96 ARG Anomalous Suspicious Consistent Consistent Anomalous Suspicious . . 5514 1 1 1 1 98 ILE Anomalous Consistent Consistent Consistent Consistent Anomalous . . 5514 1 1 1 1 100 PHE Anomalous Consistent Consistent Consistent Consistent Anomalous . . 5514 1 1 1 1 101 LYS Anomalous Consistent Consistent Consistent Consistent Anomalous . . 5514 1 1 1 1 110 ALA Anomalous Consistent Consistent Consistent Suspicious Anomalous . . 5514 1 1 1 1 119 LEU Anomalous Consistent Consistent Consistent Consistent Anomalous . . 5514 1 1 1 1 124 GLU Anomalous Consistent Consistent Consistent Consistent Anomalous . . 5514 1 1 1 1 125 LEU Anomalous Consistent Consistent Consistent Consistent Anomalous . . 5514 1 1 1 1 126 LYS Anomalous Consistent Consistent Consistent Consistent Anomalous . . 5514 1 1 1 1 145 TYR Anomalous Consistent Consistent Consistent Consistent Anomalous . . 5514 1 1 1 1 152 ILE Anomalous Consistent Consistent Consistent Consistent Anomalous . . 5514 1 1 1 1 177 GLN Anomalous Consistent Consistent Consistent Suspicious Anomalous . . 5514 1 1 1 1 178 LEU Anomalous Consistent Consistent Consistent Consistent Anomalous . . 5514 1 1 1 1 179 ALA Anomalous Consistent Consistent Consistent Anomalous Suspicious . . 5514 1 1 1 1 180 ASP Anomalous Consistent Consistent Consistent Suspicious Anomalous . . 5514 1 1 1 1 183 GLN Anomalous Consistent Consistent Consistent Consistent Anomalous . . 5514 1 1 1 1 184 GLN Anomalous Consistent Consistent Consistent Anomalous Suspicious . . 5514 1 1 1 1 193 VAL Anomalous Consistent Consistent Consistent Consistent Anomalous . . 5514 1 1 1 1 194 LEU Anomalous Consistent Consistent Indeterminable Anomalous Indeterminable . . 5514 1 1 1 1 200 TYR Anomalous Consistent Consistent Consistent Consistent Anomalous . . 5514 1 1 1 1 214 LYS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 5514 1 1 1 1 217 HIS Anomalous Consistent Consistent Consistent Consistent Anomalous . . 5514 1 1 1 1 220 LEU Anomalous Consistent Consistent Consistent Consistent Anomalous . . 5514 1 1 1 1 221 LEU Anomalous Consistent Consistent Consistent Consistent Anomalous . . 5514 1 1 1 1 226 ALA Anomalous Consistent Consistent Consistent Consistent Anomalous . . 5514 1 1 1 1 231 HIS Anomalous Consistent Consistent Consistent Consistent Anomalous . . 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 5514 1 1 1 1 3 LYS C 169.97 M 176.46 2.05 1.5463e-03 5514 1 1 1 1 3 LYS CA 55.91 . 56.84 2.25 6.7936e-01 5514 1 1 1 1 3 LYS CB 26.36 S 32.83 1.88 5.7852e-04 5514 1 1 1 1 3 LYS H 8.75 . 8.22 0.64 4.0760e-01 5514 1 1 1 1 3 LYS HA 4.10 . 4.28 0.45 6.8916e-01 5514 1 1 1 1 3 LYS N 127.70 . 121.16 4.11 1.1156e-01 5514 1 1 1 1 6 GLU C 167.06 M 176.93 2.11 2.9008e-06 5514 1 1 1 1 6 GLU CA 54.36 . 57.42 2.19 1.6234e-01 5514 1 1 1 1 6 GLU CB 26.18 . 30.07 1.84 3.4504e-02 5514 1 1 1 1 6 GLU H 8.16 . 8.34 0.61 7.6793e-01 5514 1 1 1 1 6 GLU HA 4.17 . 4.26 0.43 8.3421e-01 5514 1 1 1 1 6 GLU N 126.39 . 120.68 3.68 1.2075e-01 5514 1 1 1 1 7 LEU C 168.13 M 176.97 2.09 2.3404e-05 5514 1 1 1 1 7 LEU CA 51.84 . 55.65 2.21 8.4711e-02 5514 1 1 1 1 7 LEU CB 37.77 . 42.37 1.86 1.3394e-02 5514 1 1 1 1 7 LEU H 7.67 . 8.22 0.65 3.9747e-01 5514 1 1 1 1 7 LEU HA 4.02 . 4.32 0.47 5.2328e-01 5514 1 1 1 1 7 LEU N 124.26 . 121.98 4.07 5.7535e-01 5514 1 1 1 1 8 PHE C 168.77 M 175.49 2.13 1.6054e-03 5514 1 1 1 1 8 PHE CA 54.14 . 58.25 2.73 1.3220e-01 5514 1 1 1 1 8 PHE CB 35.86 . 39.95 2.04 4.4974e-02 5514 1 1 1 1 8 PHE H 7.73 . 8.42 0.74 3.5111e-01 5514 1 1 1 1 8 PHE HA 4.32 . 4.62 0.58 6.0499e-01 5514 1 1 1 1 8 PHE N 119.54 . 120.69 4.18 7.8322e-01 5514 1 1 1 1 15 LEU C 169.71 S 176.97 2.09 5.1336e-04 5514 1 1 1 1 15 LEU CA 50.16 . 55.65 2.21 1.2986e-02 5514 1 1 1 1 15 LEU CB 42.91 . 42.37 1.86 7.7157e-01 5514 1 1 1 1 15 LEU H 8.90 . 8.22 0.65 2.9549e-01 5514 1 1 1 1 15 LEU HA 5.13 . 4.32 0.47 8.4816e-02 5514 1 1 1 1 15 LEU N 139.49 M 121.98 4.07 1.6910e-05 5514 1 1 1 1 19 ASP C 171.83 . 176.41 1.77 9.6655e-03 5514 1 1 1 1 19 ASP CA 50.21 . 54.52 2.1 4.0133e-02 5514 1 1 1 1 19 ASP CB 39.81 . 40.7 1.67 5.9408e-01 5514 1 1 1 1 19 ASP H 8.26 . 8.33 0.57 9.0226e-01 5514 1 1 1 1 19 ASP N 138.54 M 120.73 4.2 2.2305e-05 5514 1 1 1 1 23 ASN C 170.79 . 175.16 1.76 1.3030e-02 5514 1 1 1 1 23 ASN CA 50.72 . 53.43 1.94 1.6244e-01 5514 1 1 1 1 23 ASN CB 33.64 . 38.66 1.78 4.7990e-03 5514 1 1 1 1 23 ASN H 9.16 . 8.37 0.65 2.2422e-01 5514 1 1 1 1 23 ASN HA 4.48 . 4.7 0.39 5.7268e-01 5514 1 1 1 1 23 ASN N 137.49 M 119.13 4.42 3.2693e-05 5514 1 1 1 1 27 PHE C 168.71 M 175.49 2.13 1.4571e-03 5514 1 1 1 1 27 PHE CA 52.12 . 58.25 2.73 2.4741e-02 5514 1 1 1 1 27 PHE CB 37.79 . 39.95 2.04 2.8968e-01 5514 1 1 1 1 27 PHE H 8.53 . 8.42 0.74 8.8183e-01 5514 1 1 1 1 27 PHE HA 5.18 . 4.62 0.58 3.3429e-01 5514 1 1 1 1 27 PHE N 125.56 . 120.69 4.18 2.4399e-01 5514 1 1 1 1 37 ALA C 168.25 M 177.8 2.18 1.1828e-05 5514 1 1 1 1 37 ALA CA 50.23 . 53.16 2.06 1.5493e-01 5514 1 1 1 1 37 ALA CB 17.19 . 18.9 1.85 3.5532e-01 5514 1 1 1 1 37 ALA H 10.79 S 8.2 0.6 1.5840e-05 5514 1 1 1 1 37 ALA N 141.34 M 123.23 3.7 9.8509e-07 5514 1 1 1 1 53 LEU C 168.43 M 176.97 2.09 4.3864e-05 5514 1 1 1 1 53 LEU CA 49.55 . 55.65 2.21 5.7769e-03 5514 1 1 1 1 53 LEU H 9.58 . 8.22 0.65 3.6411e-02 5514 1 1 1 1 53 LEU HA 4.66 . 4.32 0.47 4.6943e-01 5514 1 1 1 1 53 LEU N 144.55 M 121.98 4.07 2.9319e-08 5514 1 1 1 1 79 LYS C 169.97 M 176.46 2.05 1.5463e-03 5514 1 1 1 1 79 LYS CA 56.79 . 56.84 2.25 9.8227e-01 5514 1 1 1 1 79 LYS CB 29.16 . 32.83 1.88 5.0923e-02 5514 1 1 1 1 79 LYS H 7.37 . 8.22 0.64 1.8414e-01 5514 1 1 1 1 79 LYS N 129.30 . 121.16 4.11 4.7643e-02 5514 1 1 1 1 80 ARG C 167.44 M 176.49 2.16 2.7918e-05 5514 1 1 1 1 80 ARG CA 53.21 . 56.95 2.41 1.2069e-01 5514 1 1 1 1 80 ARG CB 25.11 . 30.66 1.77 1.7151e-03 5514 1 1 1 1 80 ARG H 8.25 . 8.24 0.6 9.8670e-01 5514 1 1 1 1 80 ARG N 122.99 . 120.61 3.9 5.4169e-01 5514 1 1 1 1 83 PHE C 170.73 . 175.49 2.13 2.5434e-02 5514 1 1 1 1 83 PHE CA 56.48 . 58.25 2.73 5.1676e-01 5514 1 1 1 1 83 PHE CB 37.37 . 39.95 2.04 2.0598e-01 5514 1 1 1 1 83 PHE H 8.33 . 8.42 0.74 9.0320e-01 5514 1 1 1 1 83 PHE N 136.01 M 120.69 4.18 2.4727e-04 5514 1 1 1 1 84 PHE C 168.45 M 175.49 2.13 9.4921e-04 5514 1 1 1 1 84 PHE CA 56.01 . 58.25 2.73 4.1192e-01 5514 1 1 1 1 84 PHE H 6.95 . 8.42 0.74 4.6979e-02 5514 1 1 1 1 84 PHE N 118.30 . 120.69 4.18 5.6748e-01 5514 1 1 1 1 85 LYS C 168.21 M 176.46 2.05 5.7123e-05 5514 1 1 1 1 85 LYS CA 55.95 . 56.84 2.25 6.9243e-01 5514 1 1 1 1 85 LYS H 7.43 . 8.22 0.64 2.1706e-01 5514 1 1 1 1 85 LYS HA 4.02 . 4.28 0.45 5.6341e-01 5514 1 1 1 1 85 LYS N 117.36 . 121.16 4.11 3.5519e-01 5514 1 1 1 1 86 SER C 166.71 M 174.53 1.73 6.1772e-06 5514 1 1 1 1 86 SER CA 57.10 . 58.57 2.12 4.8806e-01 5514 1 1 1 1 86 SER CB 59.10 . 63.8 1.57 2.7568e-03 5514 1 1 1 1 86 SER H 7.05 . 8.29 0.62 4.5500e-02 5514 1 1 1 1 86 SER HA 4.29 . 4.51 0.43 6.0891e-01 5514 1 1 1 1 86 SER N 120.67 . 116.3 3.95 2.6858e-01 5514 1 1 1 1 88 MET C 168.99 M 176.3 2.13 5.9931e-04 5514 1 1 1 1 88 MET CA 49.12 . 56.16 2.34 2.6250e-03 5514 1 1 1 1 88 MET H 7.77 . 8.26 0.6 4.1412e-01 5514 1 1 1 1 88 MET N 122.04 . 120.1 3.88 6.1707e-01 5514 1 1 1 1 94 GLN C 169.03 M 176.39 1.96 1.7327e-04 5514 1 1 1 1 94 GLN CA 51.37 . 56.62 2.19 1.6518e-02 5514 1 1 1 1 94 GLN H 9.78 . 8.22 0.62 1.1865e-02 5514 1 1 1 1 94 GLN HA 5.02 . 4.28 0.44 9.2604e-02 5514 1 1 1 1 94 GLN N 139.55 M 119.92 4.01 9.8175e-07 5514 1 1 1 1 96 ARG CA 55.18 . 56.95 2.41 4.6268e-01 5514 1 1 1 1 96 ARG CB 24.12 M 30.66 1.77 2.1996e-04 5514 1 1 1 1 96 ARG H 7.88 . 8.24 0.6 5.4851e-01 5514 1 1 1 1 96 ARG N 133.63 S 120.61 3.9 8.4244e-04 5514 1 1 1 1 98 ILE C 172.29 . 175.82 1.95 7.0256e-02 5514 1 1 1 1 98 ILE CA 55.98 . 61.59 2.78 4.3593e-02 5514 1 1 1 1 98 ILE H 9.63 . 8.26 0.71 5.3659e-02 5514 1 1 1 1 98 ILE HA 4.99 . 4.2 0.56 1.5833e-01 5514 1 1 1 1 98 ILE N 138.12 M 121.6 4.72 4.6526e-04 5514 1 1 1 1 100 PHE C 170.97 . 175.49 2.13 3.3832e-02 5514 1 1 1 1 100 PHE CA 54.39 . 58.25 2.73 1.5739e-01 5514 1 1 1 1 100 PHE CB 38.48 . 39.95 2.04 4.7116e-01 5514 1 1 1 1 100 PHE H 8.70 . 8.42 0.74 7.0515e-01 5514 1 1 1 1 100 PHE HA 4.82 . 4.62 0.58 7.3022e-01 5514 1 1 1 1 100 PHE N 139.02 M 120.69 4.18 1.1590e-05 5514 1 1 1 1 101 LYS C 170.96 . 176.46 2.05 7.2981e-03 5514 1 1 1 1 101 LYS CA 54.60 . 56.84 2.25 3.1947e-01 5514 1 1 1 1 101 LYS CB 29.09 . 32.83 1.88 4.6661e-02 5514 1 1 1 1 101 LYS H 7.83 . 8.22 0.64 5.4228e-01 5514 1 1 1 1 101 LYS HA 4.73 . 4.28 0.45 3.1731e-01 5514 1 1 1 1 101 LYS N 137.49 M 121.16 4.11 7.0903e-05 5514 1 1 1 1 110 ALA C 172.42 . 177.8 2.18 1.3591e-02 5514 1 1 1 1 110 ALA CA 46.04 S 53.16 2.06 5.4762e-04 5514 1 1 1 1 110 ALA CB 22.12 . 18.9 1.85 8.1764e-02 5514 1 1 1 1 110 ALA H 9.18 . 8.2 0.6 1.0240e-01 5514 1 1 1 1 110 ALA HA 4.47 . 4.26 0.42 6.1707e-01 5514 1 1 1 1 110 ALA N 142.81 M 123.23 3.7 1.2106e-07 5514 1 1 1 1 119 LEU C 174.46 . 176.97 2.09 2.2977e-01 5514 1 1 1 1 119 LEU CA 49.01 . 55.65 2.21 2.6600e-03 5514 1 1 1 1 119 LEU CB 37.71 . 42.37 1.86 1.2232e-02 5514 1 1 1 1 119 LEU H 8.64 . 8.22 0.65 5.1818e-01 5514 1 1 1 1 119 LEU HA 4.05 . 4.32 0.47 5.6565e-01 5514 1 1 1 1 119 LEU N 141.91 M 121.98 4.07 9.7407e-07 5514 1 1 1 1 124 GLU C 170.06 . 176.93 2.11 1.1302e-03 5514 1 1 1 1 124 GLU CA 51.59 . 57.42 2.19 7.7655e-03 5514 1 1 1 1 124 GLU CB 29.64 . 30.07 1.84 8.1522e-01 5514 1 1 1 1 124 GLU H 9.10 . 8.34 0.61 2.1280e-01 5514 1 1 1 1 124 GLU HA 5.17 . 4.26 0.43 3.4321e-02 5514 1 1 1 1 124 GLU N 137.59 M 120.68 3.68 4.3252e-06 5514 1 1 1 1 125 LEU C 171.24 . 176.97 2.09 6.1136e-03 5514 1 1 1 1 125 LEU CA 50.47 . 55.65 2.21 1.9084e-02 5514 1 1 1 1 125 LEU CB 42.93 . 42.37 1.86 7.6336e-01 5514 1 1 1 1 125 LEU H 8.64 . 8.22 0.65 5.1818e-01 5514 1 1 1 1 125 LEU HA 5.02 . 4.32 0.47 1.3639e-01 5514 1 1 1 1 125 LEU N 136.66 M 121.98 4.07 3.0990e-04 5514 1 1 1 1 126 LYS C 171.24 . 176.46 2.05 1.0886e-02 5514 1 1 1 1 126 LYS CA 50.91 . 56.84 2.25 8.4000e-03 5514 1 1 1 1 126 LYS CB 32.15 . 32.83 1.88 7.1757e-01 5514 1 1 1 1 126 LYS H 9.18 . 8.22 0.64 1.3361e-01 5514 1 1 1 1 126 LYS HA 5.37 . 4.28 0.45 1.5426e-02 5514 1 1 1 1 126 LYS N 139.67 M 121.16 4.11 6.6796e-06 5514 1 1 1 1 145 TYR C 169.72 . 175.39 1.89 2.6998e-03 5514 1 1 1 1 145 TYR CA 51.70 . 58.02 2.64 1.6669e-02 5514 1 1 1 1 145 TYR CB 39.12 . 39.16 2.23 9.8569e-01 5514 1 1 1 1 145 TYR H 9.23 . 8.37 0.75 2.5152e-01 5514 1 1 1 1 145 TYR N 144.96 M 120.79 4.69 2.5564e-07 5514 1 1 1 1 152 ILE C 170.51 . 175.82 1.95 6.4677e-03 5514 1 1 1 1 152 ILE CA 56.69 . 61.59 2.78 7.7970e-02 5514 1 1 1 1 152 ILE H 8.92 . 8.26 0.71 3.5259e-01 5514 1 1 1 1 152 ILE N 136.46 M 121.6 4.72 1.6422e-03 5514 1 1 1 1 177 GLN C 170.79 . 176.39 1.96 4.2747e-03 5514 1 1 1 1 177 GLN CA 49.28 S 56.62 2.19 8.0347e-04 5514 1 1 1 1 177 GLN CB 28.60 . 29.1 1.97 7.9964e-01 5514 1 1 1 1 177 GLN H 9.49 . 8.22 0.62 4.0522e-02 5514 1 1 1 1 177 GLN N 137.09 M 119.92 4.01 1.8539e-05 5514 1 1 1 1 178 LEU C 171.33 . 176.97 2.09 6.9639e-03 5514 1 1 1 1 178 LEU CA 50.83 . 55.65 2.21 2.9184e-02 5514 1 1 1 1 178 LEU CB 40.47 . 42.37 1.86 3.0702e-01 5514 1 1 1 1 178 LEU H 9.06 . 8.22 0.65 1.9625e-01 5514 1 1 1 1 178 LEU HA 4.96 . 4.32 0.47 1.7329e-01 5514 1 1 1 1 178 LEU N 141.71 M 121.98 4.07 1.2492e-06 5514 1 1 1 1 179 ALA C 167.26 M 177.8 2.18 1.3324e-06 5514 1 1 1 1 179 ALA CA 46.79 . 53.16 2.06 1.9866e-03 5514 1 1 1 1 179 ALA CB 18.36 . 18.9 1.85 7.7037e-01 5514 1 1 1 1 179 ALA H 9.30 . 8.2 0.6 6.6753e-02 5514 1 1 1 1 179 ALA HA 4.84 . 4.26 0.42 1.6729e-01 5514 1 1 1 1 179 ALA N 135.83 S 123.23 3.7 6.6066e-04 5514 1 1 1 1 180 ASP C 168.37 S 176.41 1.77 5.5625e-06 5514 1 1 1 1 180 ASP CA 52.16 . 54.52 2.1 2.6109e-01 5514 1 1 1 1 180 ASP CB 38.62 . 40.7 1.67 2.1294e-01 5514 1 1 1 1 180 ASP H 8.93 . 8.33 0.57 2.9251e-01 5514 1 1 1 1 180 ASP HA 4.62 . 4.61 0.31 9.7427e-01 5514 1 1 1 1 180 ASP N 143.52 M 120.73 4.2 5.7570e-08 5514 1 1 1 1 183 GLN C 171.33 . 176.39 1.96 9.8334e-03 5514 1 1 1 1 183 GLN CA 49.91 . 56.62 2.19 2.1845e-03 5514 1 1 1 1 183 GLN CB 30.42 . 29.1 1.97 5.0283e-01 5514 1 1 1 1 183 GLN H 8.72 . 8.22 0.62 4.1998e-01 5514 1 1 1 1 183 GLN N 137.31 M 119.92 4.01 1.4467e-05 5514 1 1 1 1 184 GLN C 170.30 M 176.39 1.96 1.8891e-03 5514 1 1 1 1 184 GLN CA 51.30 . 56.62 2.19 1.5131e-02 5514 1 1 1 1 184 GLN CB 29.85 . 29.1 1.97 7.0342e-01 5514 1 1 1 1 184 GLN H 9.24 . 8.22 0.62 9.9937e-02 5514 1 1 1 1 184 GLN HA 5.26 . 4.28 0.44 2.5929e-02 5514 1 1 1 1 184 GLN N 133.23 S 119.92 4.01 9.0275e-04 5514 1 1 1 1 193 VAL C 169.19 . 175.69 2.03 1.3649e-03 5514 1 1 1 1 193 VAL CA 55.27 . 62.48 3.04 1.7706e-02 5514 1 1 1 1 193 VAL CB 30.06 . 32.66 1.91 1.7343e-01 5514 1 1 1 1 193 VAL H 9.14 . 8.29 0.71 2.3124e-01 5514 1 1 1 1 193 VAL N 143.29 M 121.02 4.96 7.1250e-06 5514 1 1 1 1 194 LEU C 167.49 M 176.97 2.09 5.7362e-06 5514 1 1 1 1 194 LEU CA 50.29 . 55.65 2.21 1.5294e-02 5514 1 1 1 1 194 LEU CB 37.75 . 42.37 1.86 1.2996e-02 5514 1 1 1 1 200 TYR C 170.97 . 175.39 1.89 1.9355e-02 5514 1 1 1 1 200 TYR CA 56.66 . 58.02 2.64 6.0645e-01 5514 1 1 1 1 200 TYR CB 38.43 . 39.16 2.23 7.4340e-01 5514 1 1 1 1 200 TYR H 7.65 . 8.37 0.75 3.3706e-01 5514 1 1 1 1 200 TYR N 137.14 M 120.79 4.69 4.9004e-04 5514 1 1 1 1 214 LYS C 169.06 M 176.46 2.05 3.0649e-04 5514 1 1 1 1 214 LYS CA 49.30 S 56.84 2.25 8.0488e-04 5514 1 1 1 1 214 LYS CB 35.99 . 32.83 1.88 9.2792e-02 5514 1 1 1 1 214 LYS H 8.29 . 8.22 0.64 9.1291e-01 5514 1 1 1 1 214 LYS N 119.33 . 121.16 4.11 6.5613e-01 5514 1 1 1 1 217 HIS C 169.25 . 175.19 2.14 5.5083e-03 5514 1 1 1 1 217 HIS CA 52.76 . 56.37 2.4 1.3254e-01 5514 1 1 1 1 217 HIS CB 29.69 . 29.95 2.15 9.0375e-01 5514 1 1 1 1 217 HIS H 8.39 . 8.25 0.74 8.4994e-01 5514 1 1 1 1 217 HIS N 133.72 M 119.44 4.52 1.5815e-03 5514 1 1 1 1 220 LEU C 172.69 . 176.97 2.09 4.0575e-02 5514 1 1 1 1 220 LEU CA 49.77 . 55.65 2.21 7.7994e-03 5514 1 1 1 1 220 LEU CB 43.61 . 42.37 1.86 5.0499e-01 5514 1 1 1 1 220 LEU H 9.40 . 8.22 0.65 6.9465e-02 5514 1 1 1 1 220 LEU HA 4.99 . 4.32 0.47 1.5400e-01 5514 1 1 1 1 220 LEU N 141.22 M 121.98 4.07 2.2756e-06 5514 1 1 1 1 221 LEU C 172.87 . 176.97 2.09 4.9795e-02 5514 1 1 1 1 221 LEU CA 49.84 . 55.65 2.21 8.5647e-03 5514 1 1 1 1 221 LEU H 8.54 . 8.22 0.65 6.2250e-01 5514 1 1 1 1 221 LEU HA 5.17 . 4.32 0.47 7.0527e-02 5514 1 1 1 1 221 LEU N 140.68 M 121.98 4.07 4.3359e-06 5514 1 1 1 1 226 ALA C 173.59 . 177.8 2.18 5.3459e-02 5514 1 1 1 1 226 ALA CA 47.62 . 53.16 2.06 7.1598e-03 5514 1 1 1 1 226 ALA CB 16.18 . 18.9 1.85 1.4149e-01 5514 1 1 1 1 226 ALA H 8.29 . 8.2 0.6 8.8076e-01 5514 1 1 1 1 226 ALA HA 4.71 . 4.26 0.42 2.8398e-01 5514 1 1 1 1 226 ALA N 138.79 M 123.23 3.7 2.6061e-05 5514 1 1 1 1 231 HIS C 170.83 . 175.19 2.14 4.1612e-02 5514 1 1 1 1 231 HIS CA 52.13 . 56.37 2.4 7.7284e-02 5514 1 1 1 1 231 HIS CB 29.77 . 29.95 2.15 9.3328e-01 5514 1 1 1 1 231 HIS H 8.02 . 8.25 0.74 7.5594e-01 5514 1 1 1 1 231 HIS N 136.48 M 119.44 4.52 1.6331e-04 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 5514 1 1 1 1 3 LYS LEU 0.29 5514 1 1 1 1 3 LYS ARG 0.24 5514 1 1 1 1 3 LYS CYS 0.14 5514 1 1 1 1 3 LYS GLN 0.11 5514 1 1 1 1 3 LYS HIS 0.07 5514 1 1 1 1 3 LYS TRP 0.05 5514 1 1 1 1 3 LYS ILE 0.03 5514 1 1 1 1 3 LYS GLU 0.03 5514 1 1 1 1 6 GLU LEU 0.31 5514 1 1 1 1 6 GLU ARG 0.18 5514 1 1 1 1 6 GLU LYS 0.14 5514 1 1 1 1 6 GLU CYS 0.13 5514 1 1 1 1 6 GLU GLN 0.08 5514 1 1 1 1 6 GLU HIS 0.06 5514 1 1 1 1 6 GLU TRP 0.03 5514 1 1 1 1 6 GLU GLU 0.01 5514 1 1 1 1 6 GLU ILE 0.01 5514 1 1 1 1 7 LEU ASN 0.57 5514 1 1 1 1 7 LEU CYS 0.2 5514 1 1 1 1 7 LEU ASP 0.08 5514 1 1 1 1 7 LEU TYR 0.04 5514 1 1 1 1 7 LEU PHE 0.03 5514 1 1 1 1 7 LEU GLU 0.01 5514 1 1 1 1 7 LEU MET 0.01 5514 1 1 1 1 8 PHE CYS 0.31 5514 1 1 1 1 8 PHE GLU 0.16 5514 1 1 1 1 8 PHE MET 0.14 5514 1 1 1 1 8 PHE ASN 0.14 5514 1 1 1 1 8 PHE LYS 0.06 5514 1 1 1 1 8 PHE TYR 0.05 5514 1 1 1 1 8 PHE GLN 0.04 5514 1 1 1 1 8 PHE PHE 0.02 5514 1 1 1 1 15 LEU GLY 0.32 5514 1 1 1 1 15 LEU ASP 0.17 5514 1 1 1 1 15 LEU CYS 0.16 5514 1 1 1 1 15 LEU LEU 0.16 5514 1 1 1 1 15 LEU ARG 0.06 5514 1 1 1 1 15 LEU ASN 0.05 5514 1 1 1 1 15 LEU LYS 0.02 5514 1 1 1 1 15 LEU PHE 0.01 5514 1 1 1 1 15 LEU TYR 0.01 5514 1 1 1 1 19 ASP ASN 0.47 5514 1 1 1 1 19 ASP ASP 0.24 5514 1 1 1 1 19 ASP CYS 0.17 5514 1 1 1 1 19 ASP LEU 0.04 5514 1 1 1 1 19 ASP PHE 0.03 5514 1 1 1 1 19 ASP TYR 0.02 5514 1 1 1 1 23 ASN PRO 0.6 5514 1 1 1 1 23 ASN CYS 0.19 5514 1 1 1 1 23 ASN MET 0.08 5514 1 1 1 1 23 ASN GLN 0.03 5514 1 1 1 1 23 ASN LYS 0.03 5514 1 1 1 1 23 ASN HIS 0.01 5514 1 1 1 1 23 ASN TRP 0.01 5514 1 1 1 1 23 ASN ARG 0.01 5514 1 1 1 1 27 PHE ASN 0.56 5514 1 1 1 1 27 PHE CYS 0.2 5514 1 1 1 1 27 PHE ASP 0.09 5514 1 1 1 1 27 PHE TYR 0.05 5514 1 1 1 1 27 PHE PHE 0.03 5514 1 1 1 1 27 PHE GLU 0.02 5514 1 1 1 1 27 PHE MET 0.01 5514 1 1 1 1 27 PHE LEU 0.01 5514 1 1 1 1 37 ALA ALA 0.83 5514 1 1 1 1 37 ALA MET 0.14 5514 1 1 1 1 37 ALA CYS 0.01 5514 1 1 1 1 53 LEU PRO 0.71 5514 1 1 1 1 53 LEU ALA 0.11 5514 1 1 1 1 53 LEU ASN 0.06 5514 1 1 1 1 53 LEU CYS 0.03 5514 1 1 1 1 53 LEU ASP 0.02 5514 1 1 1 1 79 LYS GLN 0.17 5514 1 1 1 1 79 LYS HIS 0.15 5514 1 1 1 1 79 LYS GLU 0.14 5514 1 1 1 1 79 LYS TRP 0.14 5514 1 1 1 1 79 LYS CYS 0.12 5514 1 1 1 1 79 LYS ARG 0.12 5514 1 1 1 1 79 LYS MET 0.04 5514 1 1 1 1 79 LYS ILE 0.03 5514 1 1 1 1 79 LYS LYS 0.02 5514 1 1 1 1 79 LYS LEU 0.02 5514 1 1 1 1 80 ARG LEU 0.46 5514 1 1 1 1 80 ARG LYS 0.23 5514 1 1 1 1 80 ARG CYS 0.16 5514 1 1 1 1 80 ARG GLN 0.03 5514 1 1 1 1 80 ARG HIS 0.02 5514 1 1 1 1 80 ARG MET 0.02 5514 1 1 1 1 80 ARG TRP 0.01 5514 1 1 1 1 83 PHE CYS 0.27 5514 1 1 1 1 83 PHE TYR 0.19 5514 1 1 1 1 83 PHE GLU 0.19 5514 1 1 1 1 83 PHE PHE 0.11 5514 1 1 1 1 83 PHE ASN 0.07 5514 1 1 1 1 83 PHE ILE 0.04 5514 1 1 1 1 83 PHE MET 0.04 5514 1 1 1 1 83 PHE ASP 0.02 5514 1 1 1 1 83 PHE LYS 0.01 5514 1 1 1 1 84 PHE MET 0.11 5514 1 1 1 1 84 PHE HIS 0.1 5514 1 1 1 1 84 PHE LEU 0.1 5514 1 1 1 1 84 PHE GLN 0.09 5514 1 1 1 1 84 PHE LYS 0.08 5514 1 1 1 1 84 PHE ARG 0.08 5514 1 1 1 1 84 PHE CYS 0.07 5514 1 1 1 1 84 PHE TRP 0.06 5514 1 1 1 1 84 PHE GLU 0.06 5514 1 1 1 1 84 PHE ASP 0.05 5514 1 1 1 1 84 PHE TYR 0.05 5514 1 1 1 1 84 PHE PHE 0.04 5514 1 1 1 1 84 PHE SER 0.02 5514 1 1 1 1 84 PHE ASN 0.02 5514 1 1 1 1 84 PHE ALA 0.01 5514 1 1 1 1 85 LYS MET 0.1 5514 1 1 1 1 85 LYS LEU 0.1 5514 1 1 1 1 85 LYS HIS 0.1 5514 1 1 1 1 85 LYS GLN 0.08 5514 1 1 1 1 85 LYS LYS 0.08 5514 1 1 1 1 85 LYS ARG 0.07 5514 1 1 1 1 85 LYS CYS 0.07 5514 1 1 1 1 85 LYS TRP 0.05 5514 1 1 1 1 85 LYS GLU 0.05 5514 1 1 1 1 85 LYS ASP 0.05 5514 1 1 1 1 85 LYS TYR 0.05 5514 1 1 1 1 85 LYS PHE 0.04 5514 1 1 1 1 85 LYS SER 0.02 5514 1 1 1 1 85 LYS ASN 0.02 5514 1 1 1 1 85 LYS ALA 0.02 5514 1 1 1 1 86 SER SER 0.75 5514 1 1 1 1 86 SER CYS 0.24 5514 1 1 1 1 88 MET PRO 0.66 5514 1 1 1 1 88 MET ALA 0.12 5514 1 1 1 1 88 MET CYS 0.06 5514 1 1 1 1 88 MET ASN 0.06 5514 1 1 1 1 88 MET ASP 0.02 5514 1 1 1 1 88 MET GLY 0.01 5514 1 1 1 1 94 GLN ALA 0.27 5514 1 1 1 1 94 GLN PRO 0.2 5514 1 1 1 1 94 GLN ASN 0.2 5514 1 1 1 1 94 GLN ASP 0.09 5514 1 1 1 1 94 GLN CYS 0.05 5514 1 1 1 1 94 GLN LEU 0.03 5514 1 1 1 1 94 GLN MET 0.02 5514 1 1 1 1 94 GLN HIS 0.02 5514 1 1 1 1 94 GLN ARG 0.01 5514 1 1 1 1 94 GLN TRP 0.01 5514 1 1 1 1 94 GLN GLN 0.01 5514 1 1 1 1 94 GLN LYS 0.01 5514 1 1 1 1 96 ARG LEU 0.45 5514 1 1 1 1 96 ARG LYS 0.29 5514 1 1 1 1 96 ARG CYS 0.12 5514 1 1 1 1 96 ARG MET 0.05 5514 1 1 1 1 96 ARG GLN 0.01 5514 1 1 1 1 96 ARG HIS 0.01 5514 1 1 1 1 96 ARG ILE 0.01 5514 1 1 1 1 98 ILE MET 0.1 5514 1 1 1 1 98 ILE LEU 0.1 5514 1 1 1 1 98 ILE HIS 0.1 5514 1 1 1 1 98 ILE GLN 0.08 5514 1 1 1 1 98 ILE LYS 0.08 5514 1 1 1 1 98 ILE ARG 0.08 5514 1 1 1 1 98 ILE CYS 0.07 5514 1 1 1 1 98 ILE TRP 0.06 5514 1 1 1 1 98 ILE GLU 0.05 5514 1 1 1 1 98 ILE ASP 0.05 5514 1 1 1 1 98 ILE TYR 0.05 5514 1 1 1 1 98 ILE PHE 0.04 5514 1 1 1 1 98 ILE SER 0.02 5514 1 1 1 1 98 ILE ASN 0.02 5514 1 1 1 1 98 ILE ALA 0.01 5514 1 1 1 1 100 PHE ASN 0.31 5514 1 1 1 1 100 PHE CYS 0.19 5514 1 1 1 1 100 PHE ASP 0.14 5514 1 1 1 1 100 PHE TYR 0.13 5514 1 1 1 1 100 PHE PHE 0.1 5514 1 1 1 1 100 PHE GLU 0.03 5514 1 1 1 1 100 PHE LEU 0.03 5514 1 1 1 1 100 PHE ILE 0.01 5514 1 1 1 1 100 PHE MET 0.01 5514 1 1 1 1 101 LYS HIS 0.19 5514 1 1 1 1 101 LYS GLN 0.18 5514 1 1 1 1 101 LYS CYS 0.14 5514 1 1 1 1 101 LYS TRP 0.12 5514 1 1 1 1 101 LYS ARG 0.11 5514 1 1 1 1 101 LYS GLU 0.1 5514 1 1 1 1 101 LYS MET 0.05 5514 1 1 1 1 101 LYS LEU 0.04 5514 1 1 1 1 101 LYS LYS 0.02 5514 1 1 1 1 110 ALA GLY 0.88 5514 1 1 1 1 110 ALA LEU 0.11 5514 1 1 1 1 119 LEU ASN 0.5 5514 1 1 1 1 119 LEU CYS 0.32 5514 1 1 1 1 119 LEU GLY 0.07 5514 1 1 1 1 119 LEU ASP 0.05 5514 1 1 1 1 119 LEU TYR 0.01 5514 1 1 1 1 119 LEU PHE 0.01 5514 1 1 1 1 124 GLU CYS 0.21 5514 1 1 1 1 124 GLU PRO 0.19 5514 1 1 1 1 124 GLU HIS 0.16 5514 1 1 1 1 124 GLU ARG 0.08 5514 1 1 1 1 124 GLU GLN 0.08 5514 1 1 1 1 124 GLU TRP 0.07 5514 1 1 1 1 124 GLU LYS 0.06 5514 1 1 1 1 124 GLU MET 0.06 5514 1 1 1 1 124 GLU GLU 0.03 5514 1 1 1 1 124 GLU LEU 0.01 5514 1 1 1 1 125 LEU GLY 0.27 5514 1 1 1 1 125 LEU ASP 0.19 5514 1 1 1 1 125 LEU LEU 0.18 5514 1 1 1 1 125 LEU CYS 0.16 5514 1 1 1 1 125 LEU ARG 0.07 5514 1 1 1 1 125 LEU ASN 0.05 5514 1 1 1 1 125 LEU LYS 0.02 5514 1 1 1 1 125 LEU PHE 0.01 5514 1 1 1 1 125 LEU TYR 0.01 5514 1 1 1 1 126 LYS PRO 0.67 5514 1 1 1 1 126 LYS CYS 0.12 5514 1 1 1 1 126 LYS MET 0.06 5514 1 1 1 1 126 LYS HIS 0.03 5514 1 1 1 1 126 LYS ARG 0.02 5514 1 1 1 1 126 LYS LYS 0.02 5514 1 1 1 1 126 LYS TRP 0.02 5514 1 1 1 1 126 LYS GLN 0.01 5514 1 1 1 1 145 TYR ASN 0.51 5514 1 1 1 1 145 TYR ASP 0.2 5514 1 1 1 1 145 TYR CYS 0.14 5514 1 1 1 1 145 TYR TYR 0.04 5514 1 1 1 1 145 TYR PHE 0.04 5514 1 1 1 1 145 TYR LEU 0.03 5514 1 1 1 1 152 ILE GLN 0.1 5514 1 1 1 1 152 ILE LYS 0.09 5514 1 1 1 1 152 ILE ARG 0.09 5514 1 1 1 1 152 ILE HIS 0.09 5514 1 1 1 1 152 ILE CYS 0.08 5514 1 1 1 1 152 ILE MET 0.08 5514 1 1 1 1 152 ILE GLU 0.07 5514 1 1 1 1 152 ILE TRP 0.07 5514 1 1 1 1 152 ILE LEU 0.06 5514 1 1 1 1 152 ILE TYR 0.06 5514 1 1 1 1 152 ILE PHE 0.05 5514 1 1 1 1 152 ILE SER 0.03 5514 1 1 1 1 152 ILE ASP 0.03 5514 1 1 1 1 177 GLN PRO 0.78 5514 1 1 1 1 177 GLN CYS 0.1 5514 1 1 1 1 177 GLN HIS 0.02 5514 1 1 1 1 177 GLN GLY 0.01 5514 1 1 1 1 177 GLN LEU 0.01 5514 1 1 1 1 177 GLN TRP 0.01 5514 1 1 1 1 177 GLN ARG 0.01 5514 1 1 1 1 178 LEU ASN 0.36 5514 1 1 1 1 178 LEU ASP 0.31 5514 1 1 1 1 178 LEU CYS 0.14 5514 1 1 1 1 178 LEU LEU 0.08 5514 1 1 1 1 178 LEU PHE 0.03 5514 1 1 1 1 178 LEU TYR 0.03 5514 1 1 1 1 178 LEU LYS 0.01 5514 1 1 1 1 179 ALA GLY 0.96 5514 1 1 1 1 179 ALA ALA 0.02 5514 1 1 1 1 180 ASP ASN 0.53 5514 1 1 1 1 180 ASP ASP 0.16 5514 1 1 1 1 180 ASP CYS 0.16 5514 1 1 1 1 180 ASP TYR 0.05 5514 1 1 1 1 180 ASP PHE 0.04 5514 1 1 1 1 180 ASP LEU 0.02 5514 1 1 1 1 183 GLN PRO 0.79 5514 1 1 1 1 183 GLN CYS 0.09 5514 1 1 1 1 183 GLN HIS 0.03 5514 1 1 1 1 183 GLN MET 0.01 5514 1 1 1 1 183 GLN ARG 0.01 5514 1 1 1 1 183 GLN TRP 0.01 5514 1 1 1 1 184 GLN PRO 0.33 5514 1 1 1 1 184 GLN CYS 0.19 5514 1 1 1 1 184 GLN HIS 0.13 5514 1 1 1 1 184 GLN ARG 0.07 5514 1 1 1 1 184 GLN TRP 0.06 5514 1 1 1 1 184 GLN GLN 0.05 5514 1 1 1 1 184 GLN MET 0.05 5514 1 1 1 1 184 GLN LYS 0.04 5514 1 1 1 1 184 GLN GLU 0.02 5514 1 1 1 1 193 VAL HIS 0.16 5514 1 1 1 1 193 VAL ARG 0.13 5514 1 1 1 1 193 VAL GLN 0.13 5514 1 1 1 1 193 VAL CYS 0.12 5514 1 1 1 1 193 VAL TRP 0.12 5514 1 1 1 1 193 VAL GLU 0.11 5514 1 1 1 1 193 VAL LYS 0.09 5514 1 1 1 1 193 VAL MET 0.07 5514 1 1 1 1 194 LEU ASN 0.6 5514 1 1 1 1 194 LEU CYS 0.24 5514 1 1 1 1 194 LEU ASP 0.07 5514 1 1 1 1 194 LEU TYR 0.02 5514 1 1 1 1 194 LEU PHE 0.02 5514 1 1 1 1 194 LEU MET 0.01 5514 1 1 1 1 200 TYR TYR 0.24 5514 1 1 1 1 200 TYR CYS 0.23 5514 1 1 1 1 200 TYR PHE 0.18 5514 1 1 1 1 200 TYR GLU 0.07 5514 1 1 1 1 200 TYR ASN 0.07 5514 1 1 1 1 200 TYR ASP 0.06 5514 1 1 1 1 200 TYR ILE 0.06 5514 1 1 1 1 200 TYR LEU 0.02 5514 1 1 1 1 200 TYR MET 0.01 5514 1 1 1 1 214 LYS CYS 0.45 5514 1 1 1 1 214 LYS ASN 0.27 5514 1 1 1 1 214 LYS PRO 0.13 5514 1 1 1 1 214 LYS MET 0.04 5514 1 1 1 1 214 LYS GLY 0.04 5514 1 1 1 1 214 LYS TYR 0.01 5514 1 1 1 1 217 HIS HIS 0.19 5514 1 1 1 1 217 HIS CYS 0.19 5514 1 1 1 1 217 HIS GLN 0.12 5514 1 1 1 1 217 HIS ARG 0.11 5514 1 1 1 1 217 HIS TRP 0.1 5514 1 1 1 1 217 HIS LYS 0.09 5514 1 1 1 1 217 HIS MET 0.07 5514 1 1 1 1 217 HIS GLU 0.06 5514 1 1 1 1 217 HIS LEU 0.01 5514 1 1 1 1 217 HIS PRO 0.01 5514 1 1 1 1 220 LEU GLY 0.71 5514 1 1 1 1 220 LEU CYS 0.09 5514 1 1 1 1 220 LEU LEU 0.07 5514 1 1 1 1 220 LEU ASP 0.05 5514 1 1 1 1 220 LEU ARG 0.03 5514 1 1 1 1 220 LEU ASN 0.01 5514 1 1 1 1 221 LEU PRO 0.72 5514 1 1 1 1 221 LEU ALA 0.11 5514 1 1 1 1 221 LEU ASN 0.06 5514 1 1 1 1 221 LEU CYS 0.02 5514 1 1 1 1 221 LEU ASP 0.02 5514 1 1 1 1 226 ALA GLY 0.9 5514 1 1 1 1 226 ALA ALA 0.07 5514 1 1 1 1 226 ALA MET 0.01 5514 1 1 1 1 231 HIS CYS 0.21 5514 1 1 1 1 231 HIS HIS 0.18 5514 1 1 1 1 231 HIS ARG 0.1 5514 1 1 1 1 231 HIS GLN 0.1 5514 1 1 1 1 231 HIS TRP 0.09 5514 1 1 1 1 231 HIS LYS 0.07 5514 1 1 1 1 231 HIS PRO 0.07 5514 1 1 1 1 231 HIS MET 0.07 5514 1 1 1 1 231 HIS GLU 0.04 5514 1 1 1 1 231 HIS LEU 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 5514 _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 5514 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 5514 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 5514 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 5514 _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_