data_AVS_bmrb_pdb_report_34064 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 34064 _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 15 HIS Anomalous Indeterminable Consistent Anomalous Indeterminable Consistent . . 34064 1 1 1 1 55 MET Anomalous Indeterminable Consistent Anomalous Indeterminable Consistent . . 34064 1 1 1 2 1 HEC UNSUPPORTED . . . . . . . 34064 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 15 HIS H 6.481 . 8.24 0.68 9.6882e-03 34064 1 1 1 1 15 HIS HA 3.493 . 4.61 0.43 9.3857e-03 34064 1 1 1 1 15 HIS HB2 1.003 S 3.1 0.36 5.7113e-09 34064 1 1 1 1 15 HIS HB3 1.278 S 3.04 0.38 3.5377e-06 34064 1 1 1 1 15 HIS HD1 8.944 . 8.68 2.62 9.1974e-01 34064 1 1 1 1 15 HIS HD2 0.522 A 7 0.43 2.7468e-51 34064 1 1 1 1 15 HIS HE1 1.150 A 7.95 0.48 1.4733e-45 34064 1 1 1 1 15 HIS N 113.258 . 119.69 4 1.0784e-01 34064 1 1 1 1 55 MET H 7.018 . 8.26 0.6 3.8452e-02 34064 1 1 1 1 55 MET HA 3.834 . 4.41 0.48 2.3014e-01 34064 1 1 1 1 55 MET HB2 -2.994 A 2.03 0.34 2.0777e-49 34064 1 1 1 1 55 MET HB3 -0.516 S 1.99 0.34 1.6988e-13 34064 1 1 1 1 55 MET HG2 -1.248 A 2.42 0.35 1.0674e-25 34064 1 1 1 1 55 MET HG3 -3.293 A 2.39 0.38 1.4391e-50 34064 1 1 1 1 55 MET HE1 -2.847 A 1.89 0.46 7.2072e-25 34064 1 1 1 1 55 MET HE2 -2.847 A 1.89 0.46 7.2072e-25 34064 1 1 1 1 55 MET HE3 -2.847 A 1.89 0.46 7.2072e-25 34064 1 1 1 1 55 MET N 122.055 . 120.09 3.57 5.8203e-01 34064 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 34064 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 2011-12-10 _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 34064 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 34064 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 34064 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 34064 _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_