data_AVS_bmrb_pdb_report_7216 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 7216 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 7216 1 1 1 1 65 ASN Anomalous Consistent Consistent Consistent Consistent Anomalous . . 7216 1 1 1 1 134 LYS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 7216 1 1 1 1 216 ASN Anomalous Consistent Consistent Consistent Anomalous Consistent . . 7216 1 1 1 1 248 ASN Anomalous Consistent Consistent Consistent Anomalous Consistent . . stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 7216 1 1 1 1 65 ASN C 173.7 . 175.16 1.76 4.0680e-01 7216 1 1 1 1 65 ASN CA 53.3 . 53.43 1.94 9.4657e-01 7216 1 1 1 1 65 ASN CB 40.5 . 38.66 1.78 3.0127e-01 7216 1 1 1 1 65 ASN H 6.63 . 8.37 0.65 7.4302e-03 7216 1 1 1 1 65 ASN N 104.8 M 119.13 4.42 1.1866e-03 7216 1 1 1 1 134 LYS C 181.7 M 176.46 2.05 1.0585e-02 7216 1 1 1 1 134 LYS CA 58.7 . 56.84 2.25 4.0843e-01 7216 1 1 1 1 134 LYS CB 32.6 . 32.83 1.88 9.0263e-01 7216 1 1 1 1 134 LYS H 8.71 . 8.22 0.64 4.4390e-01 7216 1 1 1 1 134 LYS N 122.9 . 121.16 4.11 6.7203e-01 7216 1 1 1 1 216 ASN C 180.7 M 175.16 1.76 1.6455e-03 7216 1 1 1 1 216 ASN CA 52.1 . 53.43 1.94 4.9299e-01 7216 1 1 1 1 216 ASN CB 39.2 . 38.66 1.78 7.6161e-01 7216 1 1 1 1 216 ASN H 8.12 . 8.37 0.65 7.0052e-01 7216 1 1 1 1 216 ASN N 117.3 . 119.13 4.42 6.7885e-01 7216 1 1 1 1 248 ASN C 180.4 M 175.16 1.76 2.9083e-03 7216 1 1 1 1 248 ASN CA 54.9 . 53.43 1.94 4.4861e-01 7216 1 1 1 1 248 ASN CB 39.3 . 38.66 1.78 7.1918e-01 7216 1 1 1 1 248 ASN H 7.28 . 8.37 0.65 9.3558e-02 7216 1 1 1 1 248 ASN N 126.1 . 119.13 4.42 1.1481e-01 stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 7216 1 1 1 1 65 ASN ASP 0.32 7216 1 1 1 1 65 ASN ASN 0.22 7216 1 1 1 1 65 ASN LEU 0.13 7216 1 1 1 1 65 ASN CYS 0.11 7216 1 1 1 1 65 ASN PHE 0.07 7216 1 1 1 1 65 ASN TYR 0.06 7216 1 1 1 1 65 ASN LYS 0.04 7216 1 1 1 1 134 LYS CYS 0.19 7216 1 1 1 1 134 LYS LYS 0.15 7216 1 1 1 1 134 LYS MET 0.11 7216 1 1 1 1 134 LYS TRP 0.1 7216 1 1 1 1 134 LYS VAL 0.09 7216 1 1 1 1 134 LYS ARG 0.09 7216 1 1 1 1 134 LYS GLN 0.08 7216 1 1 1 1 134 LYS GLU 0.07 7216 1 1 1 1 134 LYS HIS 0.06 7216 1 1 1 1 134 LYS ILE 0.01 7216 1 1 1 1 216 ASN ASN 0.48 7216 1 1 1 1 216 ASN ASP 0.22 7216 1 1 1 1 216 ASN CYS 0.14 7216 1 1 1 1 216 ASN TYR 0.05 7216 1 1 1 1 216 ASN PHE 0.04 7216 1 1 1 1 216 ASN LEU 0.04 7216 1 1 1 1 248 ASN ASN 0.21 7216 1 1 1 1 248 ASN ASP 0.21 7216 1 1 1 1 248 ASN CYS 0.17 7216 1 1 1 1 248 ASN TYR 0.15 7216 1 1 1 1 248 ASN PHE 0.13 7216 1 1 1 1 248 ASN LEU 0.07 7216 1 1 1 1 248 ASN ILE 0.01 7216 1 1 1 1 248 ASN GLU 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 7216 _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.Entry_ID _Vendor.Software_ID _Vendor.Name _Vendor.Address _Vendor.Electronic_address 7216 1 "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu stop_ loop_ _Task.Entry_ID _Task.Software_ID _Task.Task 7216 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 7216 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 7216 _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_