data_AVS_bmrb_pdb_report_7126 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 7126 _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 7126 1 1 1 1 36 VAL Anomalous Consistent Consistent Consistent Consistent Anomalous . . 7126 1 1 1 1 56 PHE 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 7126 1 1 1 1 36 VAL CA 60.42 . 62.48 3.04 4.9801e-01 7126 1 1 1 1 36 VAL CB 32.25 . 32.66 1.91 8.3003e-01 7126 1 1 1 1 36 VAL CG1 20.51 . 21.38 1.53 5.6961e-01 7126 1 1 1 1 36 VAL CG2 19.54 . 21.31 1.76 3.1457e-01 7126 1 1 1 1 36 VAL H 8.96 . 8.29 0.71 3.4534e-01 7126 1 1 1 1 36 VAL HG1 0.84 . 0.84 0.27 1.0000e+00 7126 1 1 1 1 36 VAL HG2 0.86 . 0.83 0.29 9.1761e-01 7126 1 1 1 1 36 VAL N 137.31 M 121.02 4.96 1.0225e-03 7126 1 1 1 1 56 PHE CA 54.74 . 58.25 2.73 1.9854e-01 7126 1 1 1 1 56 PHE CB 39.57 . 39.95 2.04 8.5223e-01 7126 1 1 1 1 56 PHE H 9.25 . 8.42 0.74 2.6202e-01 7126 1 1 1 1 56 PHE N 134.90 M 120.69 4.18 6.7504e-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 7126 1 1 1 1 36 VAL VAL 0.53 7126 1 1 1 1 36 VAL CYS 0.46 7126 1 1 1 1 56 PHE ASP 0.23 7126 1 1 1 1 56 PHE ASN 0.2 7126 1 1 1 1 56 PHE CYS 0.15 7126 1 1 1 1 56 PHE TYR 0.13 7126 1 1 1 1 56 PHE PHE 0.12 7126 1 1 1 1 56 PHE LEU 0.08 7126 1 1 1 1 56 PHE LYS 0.01 7126 1 1 1 1 56 PHE ILE 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 7126 _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 7126 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 7126 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 7126 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 7126 _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_