data_AVS_bmrb_pdb_report_19867 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 19867 _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 31 VAL Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 19867 1 1 1 1 32 TRP Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 19867 1 1 1 1 33 PHE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 19867 1 1 1 1 34 VAL Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 19867 1 1 1 1 35 SER Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 19867 1 1 1 1 36 LEU Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 19867 1 1 1 1 37 PHE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 19867 1 1 1 1 38 ILE Anomalous Consistent Consistent Indeterminable Consistent Anomalous . . 19867 1 1 1 1 39 GLY Anomalous Consistent Consistent Indeterminable Consistent Anomalous . . 19867 1 1 1 1 40 LEU Anomalous Consistent Consistent Indeterminable Consistent Anomalous . . 19867 1 1 1 1 41 MET Anomalous Consistent Consistent Indeterminable Consistent Anomalous . . 19867 1 1 1 1 42 LEU Anomalous Consistent Consistent Indeterminable Consistent Anomalous . . 19867 1 1 1 1 43 ILE Anomalous Consistent Consistent Indeterminable Consistent Anomalous . . 19867 1 1 1 1 45 LEU Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 19867 1 1 1 1 46 ILE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 19867 1 1 1 1 47 TRP Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 19867 1 1 1 1 48 LEU Anomalous Consistent Consistent Indeterminable Consistent Anomalous . . 19867 1 1 1 1 49 MET Anomalous Consistent Consistent Indeterminable Consistent Anomalous . . 19867 1 1 1 1 50 VAL Anomalous Consistent Consistent Indeterminable Consistent Anomalous . . 19867 1 1 1 1 51 PHE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 19867 1 1 1 1 53 LEU Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 19867 1 1 1 1 73 TRP Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 19867 1 1 1 1 74 ASN Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 19867 1 1 1 1 75 TYR Anomalous Consistent Consistent Indeterminable Consistent Anomalous . . 19867 1 1 1 1 76 ALA Anomalous Consistent Consistent Indeterminable Consistent Anomalous . . 19867 1 1 1 1 77 ILE Anomalous Consistent Consistent Indeterminable Consistent Anomalous . . 19867 1 1 1 1 78 ALA Anomalous Consistent Consistent Indeterminable Consistent Anomalous . . 19867 1 1 1 1 79 PHE Anomalous Consistent Consistent Indeterminable Consistent Anomalous . . 19867 1 1 1 1 80 ALA Anomalous Consistent Consistent Indeterminable Consistent Anomalous . . 19867 1 1 1 1 81 PHE Anomalous Consistent Consistent Indeterminable Consistent Anomalous . . 19867 1 1 1 1 82 MET Anomalous Consistent Consistent Indeterminable Consistent Anomalous . . 19867 1 1 1 1 83 ILE Anomalous Consistent Consistent Indeterminable Consistent Anomalous . . 19867 1 1 1 1 84 THR Anomalous Consistent Consistent Indeterminable Consistent Anomalous . . 19867 1 1 1 1 85 GLY Anomalous Consistent Consistent Indeterminable Consistent Anomalous . . 19867 1 1 1 1 86 LEU Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 19867 1 1 1 1 87 LEU Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 19867 1 1 1 1 88 LEU Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 19867 1 1 1 1 89 THR Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 19867 1 1 1 1 90 MET Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 19867 1 1 1 1 91 ARG Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 19867 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 31 VAL N 221.3 A 121.14 4.54 0.0000e+00 19867 1 1 1 1 32 TRP N 210.3 A 121.68 4.18 0.0000e+00 19867 1 1 1 1 33 PHE N 203.5 A 120.45 4.18 7.6367e-88 19867 1 1 1 1 34 VAL N 211.5 A 121.14 4.54 3.8265e-88 19867 1 1 1 1 35 SER N 227.5 A 116.28 3.52 0.0000e+00 19867 1 1 1 1 36 LEU N 206.9 A 121.86 3.9 0.0000e+00 19867 1 1 1 1 37 PHE N 209.4 A 120.45 4.18 0.0000e+00 19867 1 1 1 1 38 ILE C 177.2 . 175.85 1.92 4.8198e-01 19867 1 1 1 1 38 ILE CA 66.21 . 61.61 2.68 8.6086e-02 19867 1 1 1 1 38 ILE CB 37.98 . 38.63 2.02 7.4762e-01 19867 1 1 1 1 38 ILE CG1 29.87 . 27.71 1.68 1.9854e-01 19867 1 1 1 1 38 ILE CG2 17.26 . 17.53 1.36 8.4263e-01 19867 1 1 1 1 38 ILE CD1 15.93 . 13.43 1.67 1.3439e-01 19867 1 1 1 1 38 ILE N 222.0 A 121.46 4.28 0.0000e+00 19867 1 1 1 1 39 GLY C 174.2 . 173.87 1.88 8.6066e-01 19867 1 1 1 1 39 GLY CA 47.19 . 45.35 1.34 1.6971e-01 19867 1 1 1 1 39 GLY N 220.4 A 109.67 3.87 0.0000e+00 19867 1 1 1 1 40 LEU C 178.4 . 176.99 1.98 4.7639e-01 19867 1 1 1 1 40 LEU CA 58.45 . 55.62 2.13 1.8397e-01 19867 1 1 1 1 40 LEU CB 41.81 . 42.31 1.88 7.9027e-01 19867 1 1 1 1 40 LEU N 198.3 A 121.86 3.9 1.5462e-85 19867 1 1 1 1 41 MET C 178.6 . 176.18 2.09 2.4691e-01 19867 1 1 1 1 41 MET CA 58.96 . 56.11 2.23 2.0124e-01 19867 1 1 1 1 41 MET CB 33.25 . 32.99 2.24 9.0760e-01 19867 1 1 1 1 41 MET CG 30.59 . 32.01 1.24 2.5214e-01 19867 1 1 1 1 41 MET N 202.9 A 120.09 3.57 0.0000e+00 19867 1 1 1 1 42 LEU C 178.4 . 176.99 1.98 4.7639e-01 19867 1 1 1 1 42 LEU CA 58.32 . 55.62 2.13 2.0494e-01 19867 1 1 1 1 42 LEU CB 41.6 . 42.31 1.88 7.0568e-01 19867 1 1 1 1 42 LEU CG 27.25 . 26.78 1.1 6.6918e-01 19867 1 1 1 1 42 LEU N 226.0 A 121.86 3.9 0.0000e+00 19867 1 1 1 1 43 ILE C 177.2 . 175.85 1.92 4.8198e-01 19867 1 1 1 1 43 ILE CA 64.17 . 61.61 2.68 3.3946e-01 19867 1 1 1 1 43 ILE CB 36.96 . 38.63 2.02 4.0839e-01 19867 1 1 1 1 43 ILE CG1 27.78 . 27.71 1.68 9.6676e-01 19867 1 1 1 1 43 ILE CG2 18.08 . 17.53 1.36 6.8591e-01 19867 1 1 1 1 43 ILE N 208.6 A 121.46 4.28 0.0000e+00 19867 1 1 1 1 45 LEU N 224.6 A 121.86 3.9 0.0000e+00 19867 1 1 1 1 46 ILE N 225.3 A 121.46 4.28 0.0000e+00 19867 1 1 1 1 47 TRP N 188.6 A 121.68 4.18 1.0957e-57 19867 1 1 1 1 48 LEU C 178.6 . 176.99 1.98 4.1614e-01 19867 1 1 1 1 48 LEU CA 58.45 . 55.62 2.13 1.8397e-01 19867 1 1 1 1 48 LEU CB 42.22 . 42.31 1.88 9.6182e-01 19867 1 1 1 1 48 LEU N 215.8 A 121.86 3.9 0.0000e+00 19867 1 1 1 1 49 MET C 177.9 . 176.18 2.09 4.1053e-01 19867 1 1 1 1 49 MET CA 61.29 . 56.11 2.23 2.0186e-02 19867 1 1 1 1 49 MET CB 34.32 . 32.99 2.24 5.5268e-01 19867 1 1 1 1 49 MET N 222.5 A 120.09 3.57 0.0000e+00 19867 1 1 1 1 50 VAL C 177.0 . 175.62 1.9 4.6765e-01 19867 1 1 1 1 50 VAL CA 66.39 . 62.49 2.86 1.7268e-01 19867 1 1 1 1 50 VAL CB 31.89 . 32.73 1.79 6.3887e-01 19867 1 1 1 1 50 VAL N 171.3 A 121.14 4.54 2.2301e-28 19867 1 1 1 1 51 PHE N 225.1 A 120.45 4.18 0.0000e+00 19867 1 1 1 1 53 LEU N 174.3 A 121.86 3.9 3.2431e-41 19867 1 1 1 1 73 TRP N 224.6 A 121.68 4.18 0.0000e+00 19867 1 1 1 1 74 ASN N 208.9 A 118.93 4.03 0.0000e+00 19867 1 1 1 1 75 TYR C 177.2 . 175.4 1.99 3.6572e-01 19867 1 1 1 1 75 TYR CA 55.42 . 58.13 2.51 2.8028e-01 19867 1 1 1 1 75 TYR CB 37.7 . 39.32 2.16 4.5325e-01 19867 1 1 1 1 75 TYR N 189.7 A 120.52 4.2 5.8864e-61 19867 1 1 1 1 76 ALA C 177.7 . 177.74 2.13 9.8502e-01 19867 1 1 1 1 76 ALA CA 55.73 . 53.14 1.98 1.9085e-01 19867 1 1 1 1 76 ALA CB 17.66 . 19.01 1.83 4.6069e-01 19867 1 1 1 1 76 ALA N 220.9 A 123.23 3.54 0.0000e+00 19867 1 1 1 1 77 ILE C 177.9 . 175.85 1.92 2.8565e-01 19867 1 1 1 1 77 ILE CA 66.49 . 61.61 2.68 6.8623e-02 19867 1 1 1 1 77 ILE CB 38.12 . 38.63 2.02 8.0067e-01 19867 1 1 1 1 77 ILE CG1 24.2 . 27.71 1.68 3.6682e-02 19867 1 1 1 1 77 ILE N 224.8 A 121.46 4.28 0.0000e+00 19867 1 1 1 1 78 ALA C 177.5 . 177.74 2.13 9.1029e-01 19867 1 1 1 1 78 ALA CA 52.99 . 53.14 1.98 9.3961e-01 19867 1 1 1 1 78 ALA CB 18.61 . 19.01 1.83 8.2698e-01 19867 1 1 1 1 78 ALA N 200.8 A 123.23 3.54 0.0000e+00 19867 1 1 1 1 79 PHE C 177.6 . 175.42 1.99 2.7331e-01 19867 1 1 1 1 79 PHE CA 61.5 . 58.08 2.57 1.8327e-01 19867 1 1 1 1 79 PHE CB 38.33 . 39.99 2.09 4.2705e-01 19867 1 1 1 1 79 PHE N 219.1 A 120.45 4.18 0.0000e+00 19867 1 1 1 1 80 ALA C 178.2 . 177.74 2.13 8.2902e-01 19867 1 1 1 1 80 ALA CA 55.1 . 53.14 1.98 3.2222e-01 19867 1 1 1 1 80 ALA CB 17.97 . 19.01 1.83 5.6983e-01 19867 1 1 1 1 80 ALA N 228.5 A 123.23 3.54 0.0000e+00 19867 1 1 1 1 81 PHE C 175.4 . 175.42 1.99 9.9198e-01 19867 1 1 1 1 81 PHE CA 57.53 . 58.08 2.57 8.3054e-01 19867 1 1 1 1 81 PHE CB 39.28 . 39.99 2.09 7.3407e-01 19867 1 1 1 1 81 PHE N 210.0 A 120.45 4.18 0.0000e+00 19867 1 1 1 1 82 MET C 177.8 . 176.18 2.09 4.3827e-01 19867 1 1 1 1 82 MET CA 60.16 . 56.11 2.23 6.9349e-02 19867 1 1 1 1 82 MET CB 33.58 . 32.99 2.24 7.9225e-01 19867 1 1 1 1 82 MET N 193.7 A 120.09 3.57 0.0000e+00 19867 1 1 1 1 83 ILE C 177.6 . 175.85 1.92 3.6205e-01 19867 1 1 1 1 83 ILE CA 66.57 . 61.61 2.68 6.4206e-02 19867 1 1 1 1 83 ILE CB 38.95 . 38.63 2.02 8.7413e-01 19867 1 1 1 1 83 ILE N 218.1 A 121.46 4.28 0.0000e+00 19867 1 1 1 1 84 THR C 174.5 . 174.54 1.76 9.8187e-01 19867 1 1 1 1 84 THR CA 62.33 . 62.22 2.59 9.6612e-01 19867 1 1 1 1 84 THR CB 67.76 . 69.73 1.63 2.2682e-01 19867 1 1 1 1 84 THR N 223.0 A 115.42 4.75 0.0000e+00 19867 1 1 1 1 85 GLY C 176.4 . 173.87 1.88 1.7838e-01 19867 1 1 1 1 85 GLY CA 47.6 . 45.35 1.34 9.3132e-02 19867 1 1 1 1 85 GLY N 203.3 A 109.67 3.87 0.0000e+00 19867 1 1 1 1 86 LEU N 203.8 A 121.86 3.9 0.0000e+00 19867 1 1 1 1 87 LEU N 230.4 A 121.86 3.9 0.0000e+00 19867 1 1 1 1 88 LEU N 219.1 A 121.86 3.9 0.0000e+00 19867 1 1 1 1 89 THR N 215.8 A 115.42 4.75 0.0000e+00 19867 1 1 1 1 90 MET N 207.4 A 120.09 3.57 0.0000e+00 19867 1 1 1 1 91 ARG N 177.3 A 120.8 3.68 3.3682e-53 19867 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 38 ILE ILE 0.99 19867 1 1 1 1 39 GLY GLY 0.91 19867 1 1 1 1 39 GLY LEU 0.05 19867 1 1 1 1 39 GLY ALA 0.01 19867 1 1 1 1 40 LEU LYS 0.26 19867 1 1 1 1 40 LEU PHE 0.23 19867 1 1 1 1 40 LEU TYR 0.17 19867 1 1 1 1 40 LEU LEU 0.13 19867 1 1 1 1 40 LEU ARG 0.08 19867 1 1 1 1 40 LEU ASP 0.05 19867 1 1 1 1 40 LEU ILE 0.04 19867 1 1 1 1 41 MET GLN 0.39 19867 1 1 1 1 41 MET MET 0.27 19867 1 1 1 1 41 MET LYS 0.25 19867 1 1 1 1 41 MET GLU 0.06 19867 1 1 1 1 42 LEU LEU 0.37 19867 1 1 1 1 42 LEU LYS 0.24 19867 1 1 1 1 42 LEU ARG 0.19 19867 1 1 1 1 42 LEU ILE 0.18 19867 1 1 1 1 43 ILE ILE 0.99 19867 1 1 1 1 48 LEU LYS 0.26 19867 1 1 1 1 48 LEU PHE 0.2 19867 1 1 1 1 48 LEU ARG 0.15 19867 1 1 1 1 48 LEU LEU 0.14 19867 1 1 1 1 48 LEU TYR 0.14 19867 1 1 1 1 48 LEU ASP 0.04 19867 1 1 1 1 48 LEU ILE 0.03 19867 1 1 1 1 49 MET VAL 0.52 19867 1 1 1 1 49 MET ILE 0.08 19867 1 1 1 1 49 MET LYS 0.08 19867 1 1 1 1 49 MET GLN 0.06 19867 1 1 1 1 49 MET MET 0.04 19867 1 1 1 1 49 MET GLU 0.04 19867 1 1 1 1 49 MET PRO 0.03 19867 1 1 1 1 49 MET TRP 0.03 19867 1 1 1 1 49 MET TYR 0.02 19867 1 1 1 1 49 MET ARG 0.01 19867 1 1 1 1 49 MET HIS 0.01 19867 1 1 1 1 50 VAL VAL 0.71 19867 1 1 1 1 50 VAL PRO 0.26 19867 1 1 1 1 50 VAL ILE 0.01 19867 1 1 1 1 75 TYR ASN 0.26 19867 1 1 1 1 75 TYR TYR 0.22 19867 1 1 1 1 75 TYR PHE 0.16 19867 1 1 1 1 75 TYR GLU 0.14 19867 1 1 1 1 75 TYR ASP 0.07 19867 1 1 1 1 75 TYR MET 0.05 19867 1 1 1 1 75 TYR ILE 0.03 19867 1 1 1 1 75 TYR LEU 0.02 19867 1 1 1 1 76 ALA MET 0.68 19867 1 1 1 1 76 ALA ALA 0.24 19867 1 1 1 1 76 ALA ILE 0.06 19867 1 1 1 1 77 ILE ILE 0.95 19867 1 1 1 1 77 ILE VAL 0.04 19867 1 1 1 1 78 ALA ALA 0.8 19867 1 1 1 1 78 ALA MET 0.19 19867 1 1 1 1 79 PHE ILE 0.58 19867 1 1 1 1 79 PHE TYR 0.21 19867 1 1 1 1 79 PHE PHE 0.17 19867 1 1 1 1 79 PHE GLU 0.01 19867 1 1 1 1 80 ALA MET 0.57 19867 1 1 1 1 80 ALA ALA 0.38 19867 1 1 1 1 80 ALA ILE 0.03 19867 1 1 1 1 81 PHE TYR 0.35 19867 1 1 1 1 81 PHE PHE 0.33 19867 1 1 1 1 81 PHE ILE 0.1 19867 1 1 1 1 81 PHE ASP 0.08 19867 1 1 1 1 81 PHE LEU 0.06 19867 1 1 1 1 81 PHE ASN 0.03 19867 1 1 1 1 81 PHE GLU 0.01 19867 1 1 1 1 82 MET VAL 0.34 19867 1 1 1 1 82 MET LYS 0.17 19867 1 1 1 1 82 MET GLN 0.13 19867 1 1 1 1 82 MET MET 0.1 19867 1 1 1 1 82 MET TRP 0.07 19867 1 1 1 1 82 MET ARG 0.05 19867 1 1 1 1 82 MET HIS 0.04 19867 1 1 1 1 82 MET GLU 0.02 19867 1 1 1 1 82 MET PRO 0.02 19867 1 1 1 1 82 MET ILE 0.02 19867 1 1 1 1 82 MET TYR 0.01 19867 1 1 1 1 83 ILE ILE 0.95 19867 1 1 1 1 83 ILE PHE 0.02 19867 1 1 1 1 83 ILE TYR 0.01 19867 1 1 1 1 84 THR THR 0.98 19867 1 1 1 1 84 THR SER 0.01 19867 1 1 1 1 85 GLY GLY 0.83 19867 1 1 1 1 85 GLY PRO 0.05 19867 1 1 1 1 85 GLY ALA 0.04 19867 1 1 1 1 85 GLY LEU 0.04 19867 1 1 1 1 85 GLY ASN 0.01 19867 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 19867 _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 19867 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 19867 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 19867 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 19867 _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_