data_AVS_bmrb_pdb_report_4438 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 4438 _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 4438 1 1 1 1 8 LYS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 4438 1 1 1 1 56 ASN Anomalous Consistent Consistent Anomalous Consistent 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 4438 1 1 1 1 8 LYS CA 59.1 . 56.84 2.25 3.1516e-01 4438 1 1 1 1 8 LYS CB 31.6 . 32.83 1.88 5.1295e-01 4438 1 1 1 1 8 LYS H 12.22 M 8.22 0.64 4.1045e-10 4438 1 1 1 1 8 LYS HA 4.11 . 4.28 0.45 7.0560e-01 4438 1 1 1 1 8 LYS HB2 1.80 . 1.79 0.25 9.6809e-01 4438 1 1 1 1 8 LYS HB3 1.80 . 1.78 0.26 9.3868e-01 4438 1 1 1 1 8 LYS N 133.6 . 121.16 4.11 2.4719e-03 4438 1 1 1 1 56 ASN CA 52.9 . 53.43 1.94 7.8470e-01 4438 1 1 1 1 56 ASN CB 41.0 . 38.66 1.78 1.8864e-01 4438 1 1 1 1 56 ASN H 9.06 . 8.37 0.65 2.8845e-01 4438 1 1 1 1 56 ASN HA 4.78 . 4.7 0.39 8.3747e-01 4438 1 1 1 1 56 ASN HB2 2.87 . 2.8 0.34 8.3688e-01 4438 1 1 1 1 56 ASN HB3 2.47 . 2.78 0.34 3.6189e-01 4438 1 1 1 1 56 ASN HD21 9.39 M 7.27 0.52 4.5636e-05 4438 1 1 1 1 56 ASN HD22 7.11 . 7.2 0.52 8.6259e-01 4438 1 1 1 1 56 ASN N 117.9 . 119.13 4.42 7.8080e-01 4438 1 1 1 1 56 ASN ND2 119.4 . 112.83 2.6 1.1507e-02 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 4438 1 1 1 1 8 LYS CYS 0.21 4438 1 1 1 1 8 LYS TRP 0.18 4438 1 1 1 1 8 LYS GLU 0.13 4438 1 1 1 1 8 LYS LYS 0.12 4438 1 1 1 1 8 LYS VAL 0.11 4438 1 1 1 1 8 LYS MET 0.11 4438 1 1 1 1 8 LYS GLN 0.06 4438 1 1 1 1 8 LYS ILE 0.04 4438 1 1 1 1 56 ASN ASP 0.36 4438 1 1 1 1 56 ASN ASN 0.2 4438 1 1 1 1 56 ASN LEU 0.17 4438 1 1 1 1 56 ASN CYS 0.12 4438 1 1 1 1 56 ASN LYS 0.07 4438 1 1 1 1 56 ASN PHE 0.06 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 4438 _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 4438 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 4438 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 4438 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 4438 _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_