data_AVS_bmrb_pdb_report_50119 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 50119 _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 VAL Anomalous Consistent Consistent Anomalous Consistent Anomalous . . 50119 1 1 1 1 17 ASN Anomalous Consistent Consistent Anomalous Consistent Indeterminable . . 50119 1 1 1 1 53 ASN Anomalous Consistent Consistent Anomalous Consistent Indeterminable . . 50119 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 VAL C 175.451 . 175.62 1.9 9.2912e-01 50119 1 1 1 1 12 VAL CA 62.150 . 62.49 2.86 9.0537e-01 50119 1 1 1 1 12 VAL CB 32.448 . 32.73 1.79 8.7482e-01 50119 1 1 1 1 12 VAL H 120.980 A 8.29 0.67 0.0000e+00 50119 1 1 1 1 12 VAL N 8.044 A 121.14 4.54 0.0000e+00 50119 1 1 1 1 17 ASN C 174.635 . 175.27 1.79 7.2278e-01 50119 1 1 1 1 17 ASN CA 52.964 . 53.54 1.88 7.5931e-01 50119 1 1 1 1 17 ASN CB 38.822 . 38.69 1.69 9.3774e-01 50119 1 1 1 1 17 ASN H 119.448 A 8.34 0.63 0.0000e+00 50119 1 1 1 1 53 ASN C 173.349 . 175.27 1.79 2.8319e-01 50119 1 1 1 1 53 ASN CA 51.442 . 53.54 1.88 2.6444e-01 50119 1 1 1 1 53 ASN CB 38.829 . 38.69 1.69 9.3445e-01 50119 1 1 1 1 53 ASN H 121.370 A 8.34 0.63 0.0000e+00 50119 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 VAL VAL 0.54 50119 1 1 1 1 12 VAL PRO 0.36 50119 1 1 1 1 12 VAL LYS 0.03 50119 1 1 1 1 12 VAL ARG 0.02 50119 1 1 1 1 12 VAL GLU 0.01 50119 1 1 1 1 12 VAL ILE 0.01 50119 1 1 1 1 17 ASN ASN 0.69 50119 1 1 1 1 17 ASN ASP 0.22 50119 1 1 1 1 17 ASN LEU 0.06 50119 1 1 1 1 53 ASN ASN 0.77 50119 1 1 1 1 53 ASN ASP 0.18 50119 1 1 1 1 53 ASN LEU 0.03 50119 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 50119 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 2011-12-10 _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 50119 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 50119 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 50119 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 50119 _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_