data_AVS_bmrb_pdb_report_15829 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15829 _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 70 PHE Anomalous Consistent Consistent Anomalous Consistent Consistent . . 15829 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 70 PHE C 174.443 . 175.49 2.13 6.2304e-01 15829 1 1 1 1 70 PHE CA 53.313 . 58.25 2.73 7.0541e-02 15829 1 1 1 1 70 PHE CB 38.335 . 39.95 2.04 4.2856e-01 15829 1 1 1 1 70 PHE CD1 130.072 . 131.38 1.38 3.4322e-01 15829 1 1 1 1 70 PHE CD2 130.072 . 131.33 1.48 3.9533e-01 15829 1 1 1 1 70 PHE CE1 130.158 . 130.48 1.29 8.0289e-01 15829 1 1 1 1 70 PHE CE2 130.158 . 130.6 0.97 6.4863e-01 15829 1 1 1 1 70 PHE CZ 129.994 . 129.11 1.68 5.9876e-01 15829 1 1 1 1 70 PHE H 5.549 A 8.42 0.74 1.0457e-04 15829 1 1 1 1 70 PHE HA 4.592 . 4.62 0.58 9.6150e-01 15829 1 1 1 1 70 PHE HB2 2.600 . 2.99 0.37 2.9186e-01 15829 1 1 1 1 70 PHE HB3 1.107 S 2.97 0.38 9.4561e-07 15829 1 1 1 1 70 PHE HD1 6.412 . 6.91 0.82 5.4364e-01 15829 1 1 1 1 70 PHE HD2 6.412 . 6.89 0.86 5.7834e-01 15829 1 1 1 1 70 PHE HE1 6.887 . 6.95 0.82 9.3876e-01 15829 1 1 1 1 70 PHE HE2 6.887 . 6.94 0.86 9.5086e-01 15829 1 1 1 1 70 PHE HZ 7.278 . 6.92 0.8 6.5451e-01 15829 1 1 1 1 70 PHE N 117.781 . 120.69 4.18 4.8647e-01 15829 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 70 PHE PHE 0.99 15829 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15829 _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.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 15829 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 15829 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 15829 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15829 _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_