data_AVS_bmrb_pdb_report_16205 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16205 _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 PRO Anomalous Suspicious Consistent Consistent Anomalous Indeterminable . . 16205 1 1 1 1 50 ASN Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16205 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 PRO C 172.612 . 176.7 1.69 1.5566e-02 16205 1 1 1 1 12 PRO CA 59.642 . 63.3 1.64 2.5715e-02 16205 1 1 1 1 12 PRO CB 25.996 A 31.81 1.54 1.5980e-04 16205 1 1 1 1 12 PRO HA 4.355 . 4.41 0.36 8.7857e-01 16205 1 1 1 1 12 PRO HB2 2.056 . 2.05 0.39 9.8773e-01 16205 1 1 1 1 12 PRO HB3 1.267 . 2.05 0.39 4.4676e-02 16205 1 1 1 1 50 ASN C 167.880 A 175.16 1.76 3.5285e-05 16205 1 1 1 1 50 ASN CA 48.756 . 53.43 1.94 1.5984e-02 16205 1 1 1 1 50 ASN CB 41.905 . 38.66 1.78 6.8298e-02 16205 1 1 1 1 50 ASN H 8.908 . 8.37 0.65 4.0785e-01 16205 1 1 1 1 50 ASN HA 4.898 . 4.7 0.39 6.1167e-01 16205 1 1 1 1 50 ASN N 126.578 . 119.13 4.42 9.1975e-02 16205 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 PRO ILE 0.26 16205 1 1 1 1 12 PRO CYS 0.17 16205 1 1 1 1 12 PRO ARG 0.17 16205 1 1 1 1 12 PRO LYS 0.14 16205 1 1 1 1 12 PRO LEU 0.07 16205 1 1 1 1 12 PRO TRP 0.05 16205 1 1 1 1 12 PRO GLN 0.04 16205 1 1 1 1 12 PRO HIS 0.03 16205 1 1 1 1 12 PRO GLU 0.02 16205 1 1 1 1 50 ASN CYS 0.26 16205 1 1 1 1 50 ASN ASP 0.22 16205 1 1 1 1 50 ASN GLY 0.2 16205 1 1 1 1 50 ASN ASN 0.13 16205 1 1 1 1 50 ASN LEU 0.09 16205 1 1 1 1 50 ASN ARG 0.02 16205 1 1 1 1 50 ASN LYS 0.02 16205 1 1 1 1 50 ASN PHE 0.01 16205 1 1 1 1 50 ASN TYR 0.01 16205 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16205 _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 16205 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16205 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16205 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16205 _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_