data_AVS_bmrb_pdb_report_6278 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6278 _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 6278 1 1 1 1 15 HIS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6278 1 1 1 1 104 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 6278 1 1 1 1 15 HIS C 181.059 M 175.19 2.14 6.0969e-03 6278 1 1 1 1 15 HIS CA 59.870 . 56.37 2.4 1.4475e-01 6278 1 1 1 1 15 HIS CB 29.940 . 29.95 2.15 9.9629e-01 6278 1 1 1 1 15 HIS H 8.050 . 8.25 0.74 7.8695e-01 6278 1 1 1 1 15 HIS N 117.520 . 119.44 4.52 6.7100e-01 6278 1 1 1 1 104 ASN C 180.335 M 175.16 1.76 3.2785e-03 6278 1 1 1 1 104 ASN CA 57.900 . 53.43 1.94 2.1216e-02 6278 1 1 1 1 104 ASN CB 38.310 . 38.66 1.78 8.4412e-01 6278 1 1 1 1 104 ASN H 8.070 . 8.37 0.65 6.4441e-01 6278 1 1 1 1 104 ASN N 119.250 . 119.13 4.42 9.7834e-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 6278 1 1 1 1 15 HIS TRP 0.2 6278 1 1 1 1 15 HIS GLU 0.14 6278 1 1 1 1 15 HIS ILE 0.14 6278 1 1 1 1 15 HIS ARG 0.12 6278 1 1 1 1 15 HIS HIS 0.09 6278 1 1 1 1 15 HIS GLN 0.08 6278 1 1 1 1 15 HIS LYS 0.08 6278 1 1 1 1 15 HIS VAL 0.07 6278 1 1 1 1 15 HIS MET 0.03 6278 1 1 1 1 15 HIS PRO 0.01 6278 1 1 1 1 104 ASN TYR 0.35 6278 1 1 1 1 104 ASN PHE 0.27 6278 1 1 1 1 104 ASN ILE 0.15 6278 1 1 1 1 104 ASN GLU 0.11 6278 1 1 1 1 104 ASN ASP 0.03 6278 1 1 1 1 104 ASN ASN 0.02 6278 1 1 1 1 104 ASN LEU 0.02 6278 1 1 1 1 104 ASN MET 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6278 _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 6278 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 6278 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6278 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6278 _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_