data_AVS_bmrb_pdb_report_5937 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 5937 _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 5937 1 1 1 1 12 GLU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 5937 1 1 1 1 13 VAL Anomalous Consistent Consistent Anomalous Consistent Consistent . . 5937 1 1 1 1 30 PHE Anomalous Consistent Consistent Anomalous Consistent 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 5937 1 1 1 1 12 GLU C 175.869 . 176.93 2.11 6.1507e-01 5937 1 1 1 1 12 GLU CA 53.638 . 57.42 2.19 8.4178e-02 5937 1 1 1 1 12 GLU CB 33.038 . 30.07 1.84 1.0673e-01 5937 1 1 1 1 12 GLU H 8.563 . 8.34 0.61 7.1468e-01 5937 1 1 1 1 12 GLU HA 5.072 . 4.26 0.43 5.8976e-02 5937 1 1 1 1 12 GLU HB2 3.764 M 2.04 0.22 4.6378e-15 5937 1 1 1 1 12 GLU HB3 3.764 M 2.04 0.23 6.5970e-14 5937 1 1 1 1 12 GLU HG2 4.69 M 2.31 0.21 8.9724e-30 5937 1 1 1 1 12 GLU HG3 4.69 M 2.31 0.21 8.9724e-30 5937 1 1 1 1 12 GLU N 118.885 . 120.68 3.68 6.2571e-01 5937 1 1 1 1 13 VAL C 173.056 . 175.69 2.03 1.9445e-01 5937 1 1 1 1 13 VAL CA 60.914 . 62.48 3.04 6.0646e-01 5937 1 1 1 1 13 VAL CB 36.086 . 32.66 1.91 7.2858e-02 5937 1 1 1 1 13 VAL CG1 21.14 . 21.38 1.53 8.7535e-01 5937 1 1 1 1 13 VAL H 8.631 . 8.29 0.71 6.3103e-01 5937 1 1 1 1 13 VAL HA 4.69 . 4.16 0.57 3.5246e-01 5937 1 1 1 1 13 VAL HB 4.091 M 1.99 0.33 1.9318e-10 5937 1 1 1 1 13 VAL HG1 0.767 . 0.84 0.27 7.8688e-01 5937 1 1 1 1 13 VAL HG2 1.802 S 0.83 0.29 8.0310e-04 5937 1 1 1 1 13 VAL N 120.135 . 121.02 4.96 8.5839e-01 5937 1 1 1 1 30 PHE C 174.931 . 175.49 2.13 7.9298e-01 5937 1 1 1 1 30 PHE CA 56.82 . 58.25 2.73 6.0041e-01 5937 1 1 1 1 30 PHE CB 39.879 . 39.95 2.04 9.7224e-01 5937 1 1 1 1 30 PHE H 8.611 . 8.42 0.74 7.9632e-01 5937 1 1 1 1 30 PHE HA 4.581 . 4.62 0.58 9.4639e-01 5937 1 1 1 1 30 PHE HB2 3.056 . 2.99 0.37 8.5843e-01 5937 1 1 1 1 30 PHE HB3 2.783 . 2.97 0.38 6.2264e-01 5937 1 1 1 1 30 PHE HD1 7.95 M 6.91 0.82 2.0469e-01 5937 1 1 1 1 30 PHE HD2 7.95 . 6.89 0.86 2.1774e-01 5937 1 1 1 1 30 PHE HE1 7.127 . 6.95 0.82 8.2910e-01 5937 1 1 1 1 30 PHE HE2 7.127 . 6.94 0.86 8.2786e-01 5937 1 1 1 1 30 PHE HZ 7.279 . 6.92 0.8 6.5361e-01 5937 1 1 1 1 30 PHE N 121.073 . 120.69 4.18 9.2699e-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 5937 1 1 1 1 12 GLU LYS 0.32 5937 1 1 1 1 12 GLU GLN 0.29 5937 1 1 1 1 12 GLU HIS 0.16 5937 1 1 1 1 12 GLU ARG 0.14 5937 1 1 1 1 12 GLU GLU 0.05 5937 1 1 1 1 12 GLU VAL 0.01 5937 1 1 1 1 13 VAL VAL 0.81 5937 1 1 1 1 13 VAL ILE 0.17 5937 1 1 1 1 30 PHE PHE 0.27 5937 1 1 1 1 30 PHE TYR 0.27 5937 1 1 1 1 30 PHE ASP 0.15 5937 1 1 1 1 30 PHE LEU 0.11 5937 1 1 1 1 30 PHE ILE 0.06 5937 1 1 1 1 30 PHE ASN 0.05 5937 1 1 1 1 30 PHE LYS 0.04 5937 1 1 1 1 30 PHE GLU 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 5937 _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 5937 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 5937 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 5937 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 5937 _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_