data_AVS_bmrb_pdb_report_6283 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6283 _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 6283 1 1 1 1 51 PHE Anomalous Indeterminable Consistent Anomalous Indeterminable Consistent . . 6283 1 1 1 1 55 CYS Anomalous Indeterminable Consistent Anomalous Indeterminable 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 6283 1 1 1 1 51 PHE H 7.04 . 8.42 0.74 6.2201e-02 6283 1 1 1 1 51 PHE HA 2.45 M 4.62 0.58 1.8301e-04 6283 1 1 1 1 51 PHE HB2 0.34 M 2.99 0.37 7.9414e-13 6283 1 1 1 1 51 PHE HB3 1.96 . 2.97 0.38 7.8630e-03 6283 1 1 1 1 51 PHE HD1 5.92 . 6.91 0.82 2.2731e-01 6283 1 1 1 1 51 PHE HD2 5.92 . 6.89 0.86 2.5936e-01 6283 1 1 1 1 51 PHE HE1 6.71 . 6.95 0.82 7.6976e-01 6283 1 1 1 1 51 PHE HE2 6.71 . 6.94 0.86 7.8913e-01 6283 1 1 1 1 51 PHE HZ 6.52 . 6.92 0.8 6.1707e-01 6283 1 1 1 1 51 PHE N 121.8 . 120.69 4.18 7.9059e-01 6283 1 1 1 1 55 CYS H 6.59 . 8.42 0.66 5.5589e-03 6283 1 1 1 1 55 CYS HA 3.14 . 4.73 0.57 5.2794e-03 6283 1 1 1 1 55 CYS HB2 1.63 . 2.95 0.43 2.1423e-03 6283 1 1 1 1 55 CYS HB3 -0.70 M 2.98 0.45 2.8913e-16 6283 1 1 1 1 55 CYS HG 0.33 M 1.66 0.48 5.5913e-03 6283 1 1 1 1 55 CYS N 118.6 . 119.95 4.79 7.7807e-01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6283 _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 6283 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 6283 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6283 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6283 _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_