data_AVS_bmrb_pdb_report_17384 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17384 _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 94 MET Anomalous Consistent Consistent Suspicious Consistent Anomalous . . 17384 1 1 1 1 195 LYS Anomalous Consistent Consistent Indeterminable Anomalous Indeterminable . . 17384 1 1 1 1 228 VAL Anomalous Consistent Consistent Consistent Anomalous Consistent . . 17384 1 1 1 2 1 STI UNSUPPORTED . . . . . . . 17384 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 94 MET C 172.9798 . 176.3 2.13 1.1905e-01 17384 1 1 1 1 94 MET CA 53.2159 . 56.16 2.34 2.0833e-01 17384 1 1 1 1 94 MET H 10.3318 S 8.26 0.6 5.5439e-04 17384 1 1 1 1 94 MET N 131.7162 A 120.1 3.88 2.7547e-03 17384 1 1 1 1 195 LYS C 182.5342 A 176.46 2.05 3.0463e-03 17384 1 1 1 1 195 LYS CA 56.1343 . 56.84 2.25 7.5379e-01 17384 1 1 1 1 228 VAL C 181.7109 A 175.69 2.03 3.0174e-03 17384 1 1 1 1 228 VAL CA 65.1309 . 62.48 3.04 3.8321e-01 17384 1 1 1 1 228 VAL CB 31.0048 . 32.66 1.91 3.8616e-01 17384 1 1 1 1 228 VAL H 9.0577 . 8.29 0.71 2.7958e-01 17384 1 1 1 1 228 VAL N 120.6515 . 121.02 4.96 9.4078e-01 17384 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 94 MET ALA 0.24 17384 1 1 1 1 94 MET ASN 0.23 17384 1 1 1 1 94 MET ASP 0.13 17384 1 1 1 1 94 MET LEU 0.06 17384 1 1 1 1 94 MET CYS 0.05 17384 1 1 1 1 94 MET MET 0.05 17384 1 1 1 1 94 MET HIS 0.04 17384 1 1 1 1 94 MET ARG 0.03 17384 1 1 1 1 94 MET GLN 0.03 17384 1 1 1 1 94 MET LYS 0.02 17384 1 1 1 1 94 MET TRP 0.02 17384 1 1 1 1 94 MET TYR 0.01 17384 1 1 1 1 94 MET PHE 0.01 17384 1 1 1 1 94 MET GLU 0.01 17384 1 1 1 1 195 LYS MET 0.11 17384 1 1 1 1 195 LYS HIS 0.1 17384 1 1 1 1 195 LYS LEU 0.09 17384 1 1 1 1 195 LYS GLN 0.09 17384 1 1 1 1 195 LYS LYS 0.08 17384 1 1 1 1 195 LYS ARG 0.08 17384 1 1 1 1 195 LYS CYS 0.07 17384 1 1 1 1 195 LYS GLU 0.06 17384 1 1 1 1 195 LYS TRP 0.06 17384 1 1 1 1 195 LYS TYR 0.05 17384 1 1 1 1 195 LYS ASP 0.04 17384 1 1 1 1 195 LYS PHE 0.04 17384 1 1 1 1 195 LYS SER 0.02 17384 1 1 1 1 195 LYS ASN 0.01 17384 1 1 1 1 195 LYS ALA 0.01 17384 1 1 1 1 228 VAL VAL 0.39 17384 1 1 1 1 228 VAL PRO 0.39 17384 1 1 1 1 228 VAL ILE 0.13 17384 1 1 1 1 228 VAL CYS 0.05 17384 1 1 1 1 228 VAL TRP 0.01 17384 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17384 _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 17384 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17384 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17384 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17384 _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_