data_AVS_bmrb_pdb_report_16465 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16465 _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 12 PHE Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16465 1 1 1 3 1 CA UNSUPPORTED . . . . . . . 16465 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 12 PHE C 181.14 A 175.49 2.13 7.9879e-03 16465 1 1 1 1 12 PHE CA 59.20 . 58.25 2.73 7.2785e-01 16465 1 1 1 1 12 PHE CB 37.70 . 39.95 2.04 2.7005e-01 16465 1 1 1 1 12 PHE CD1 130.00 . 131.38 1.38 3.1731e-01 16465 1 1 1 1 12 PHE CD2 130.00 . 131.33 1.48 3.6884e-01 16465 1 1 1 1 12 PHE CE1 131.20 . 130.48 1.29 5.7675e-01 16465 1 1 1 1 12 PHE CE2 131.20 . 130.6 0.97 5.3621e-01 16465 1 1 1 1 12 PHE CZ 132.20 . 129.11 1.68 6.5873e-02 16465 1 1 1 1 12 PHE H 8.47 . 8.42 0.74 9.4613e-01 16465 1 1 1 1 12 PHE HA 4.91 . 4.62 0.58 6.1707e-01 16465 1 1 1 1 12 PHE HB2 3.60 . 2.99 0.37 9.9220e-02 16465 1 1 1 1 12 PHE HB3 3.36 . 2.97 0.38 3.0474e-01 16465 1 1 1 1 12 PHE HD1 6.99 . 6.91 0.82 9.2228e-01 16465 1 1 1 1 12 PHE HD2 6.99 . 6.89 0.86 9.0743e-01 16465 1 1 1 1 12 PHE HE1 7.09 . 6.95 0.82 8.6443e-01 16465 1 1 1 1 12 PHE HE2 7.09 . 6.94 0.86 8.6154e-01 16465 1 1 1 1 12 PHE HZ 7.34 . 6.92 0.8 5.9958e-01 16465 1 1 1 1 12 PHE N 119.90 . 120.69 4.18 8.5010e-01 16465 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 12 PHE CYS 0.69 16465 1 1 1 1 12 PHE PHE 0.3 16465 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16465 _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 16465 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16465 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16465 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16465 _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_