data_AVS_bmrb_pdb_report_15000 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15000 _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 15000 1 1 1 1 7 ARG Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15000 1 1 1 1 13 THR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15000 1 1 1 1 27 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 15000 1 1 1 1 7 ARG C 182.0030 M 176.49 2.16 1.0701e-02 15000 1 1 1 1 7 ARG CA 58.7600 . 56.95 2.41 4.5263e-01 15000 1 1 1 1 7 ARG H 8.3170 . 8.24 0.6 8.9789e-01 15000 1 1 1 1 7 ARG HA 3.9360 . 4.27 0.44 4.4780e-01 15000 1 1 1 1 7 ARG HB2 2.1160 . 1.79 0.28 2.4431e-01 15000 1 1 1 1 7 ARG HB3 1.9990 . 1.78 0.28 4.3413e-01 15000 1 1 1 1 7 ARG HG2 1.9080 . 1.58 0.27 2.2444e-01 15000 1 1 1 1 7 ARG HG3 1.7080 . 1.58 0.27 6.3545e-01 15000 1 1 1 1 7 ARG HD2 3.2910 . 3.13 0.23 4.8393e-01 15000 1 1 1 1 7 ARG HD3 3.2470 . 3.13 0.22 5.9485e-01 15000 1 1 1 1 7 ARG HE 7.5260 . 7.32 0.52 6.9199e-01 15000 1 1 1 1 7 ARG N 119.0710 . 120.61 3.9 6.9313e-01 15000 1 1 1 1 7 ARG NE 118.6700 . 89.8 12.83 2.4437e-02 15000 1 1 1 1 13 THR CA 70.8700 M 62.15 2.72 1.3465e-03 15000 1 1 1 1 13 THR H 8.2830 . 8.27 0.62 9.8327e-01 15000 1 1 1 1 13 THR HA 4.6640 . 4.48 0.5 7.1287e-01 15000 1 1 1 1 13 THR HB 4.4390 . 4.17 0.37 4.6721e-01 15000 1 1 1 1 13 THR HG2 1.3370 . 1.16 0.28 5.2729e-01 15000 1 1 1 1 13 THR N 107.9930 . 115.7 5.05 1.2698e-01 15000 1 1 1 1 27 ASN C 180.5860 M 175.16 1.76 2.0496e-03 15000 1 1 1 1 27 ASN CA 56.4410 . 53.43 1.94 1.2065e-01 15000 1 1 1 1 27 ASN CB 38.4500 . 38.66 1.78 9.0609e-01 15000 1 1 1 1 27 ASN H 7.8300 . 8.37 0.65 4.0610e-01 15000 1 1 1 1 27 ASN HA 4.5200 . 4.7 0.39 6.4441e-01 15000 1 1 1 1 27 ASN HB2 3.0200 . 2.8 0.34 5.1759e-01 15000 1 1 1 1 27 ASN HB3 2.925 . 2.78 0.34 6.6976e-01 15000 1 1 1 1 27 ASN N 119.2300 . 119.13 4.42 9.8195e-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 15000 1 1 1 1 7 ARG SER 0.19 15000 1 1 1 1 7 ARG PHE 0.18 15000 1 1 1 1 7 ARG TRP 0.14 15000 1 1 1 1 7 ARG GLU 0.11 15000 1 1 1 1 7 ARG ARG 0.09 15000 1 1 1 1 7 ARG GLN 0.06 15000 1 1 1 1 7 ARG MET 0.05 15000 1 1 1 1 7 ARG VAL 0.04 15000 1 1 1 1 7 ARG THR 0.04 15000 1 1 1 1 7 ARG LEU 0.03 15000 1 1 1 1 13 THR VAL 0.8 15000 1 1 1 1 13 THR THR 0.18 15000 1 1 1 1 27 ASN PHE 0.39 15000 1 1 1 1 27 ASN ASN 0.18 15000 1 1 1 1 27 ASN ASP 0.16 15000 1 1 1 1 27 ASN GLU 0.15 15000 1 1 1 1 27 ASN LEU 0.06 15000 1 1 1 1 27 ASN MET 0.02 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15000 _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 15000 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 15000 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 15000 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15000 _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_