data_AVS_bmrb_pdb_report_15057 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15057 _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 15057 1 1 1 1 24 PRO Anomalous Consistent Consistent Anomalous Consistent Indeterminable . . 15057 1 1 1 1 91 MET 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 15057 1 1 1 1 24 PRO C 176.541 . 176.7 1.69 9.2504e-01 15057 1 1 1 1 24 PRO CA 64.932 . 63.3 1.64 3.1968e-01 15057 1 1 1 1 24 PRO CB 29.949 . 31.81 1.54 2.2688e-01 15057 1 1 1 1 24 PRO CG 27.567 . 27.14 1.18 7.1745e-01 15057 1 1 1 1 24 PRO CD 50.717 . 50.28 1.04 6.7434e-01 15057 1 1 1 1 24 PRO HA 3.561 . 4.41 0.36 1.8357e-02 15057 1 1 1 1 24 PRO HB2 1.228 . 2.05 0.39 3.5058e-02 15057 1 1 1 1 24 PRO HB3 -0.515 M 2.05 0.39 4.8028e-11 15057 1 1 1 1 24 PRO HG2 0.875 . 1.93 0.36 3.3836e-03 15057 1 1 1 1 24 PRO HG3 0.875 . 1.92 0.37 4.7380e-03 15057 1 1 1 1 91 MET C 177.032 . 176.3 2.13 7.3110e-01 15057 1 1 1 1 91 MET CA 60.571 . 56.16 2.34 5.9424e-02 15057 1 1 1 1 91 MET CB 31.495 . 32.9 2.23 5.2867e-01 15057 1 1 1 1 91 MET CG 33.969 . 32.07 1.45 1.9031e-01 15057 1 1 1 1 91 MET CE 18.787 . 17.21 3.42 6.4472e-01 15057 1 1 1 1 91 MET H 7.840 . 8.26 0.6 4.8393e-01 15057 1 1 1 1 91 MET HA 4.037 . 4.39 0.46 4.4285e-01 15057 1 1 1 1 91 MET HB2 3.202 . 2.03 0.38 2.0409e-03 15057 1 1 1 1 91 MET HB3 3.202 M 2.01 0.36 9.2926e-04 15057 1 1 1 1 91 MET HG2 2.950 . 2.44 0.36 1.5658e-01 15057 1 1 1 1 91 MET HG3 2.639 . 2.41 0.4 5.6698e-01 15057 1 1 1 1 91 MET HE 2.185 . 1.86 0.47 4.8926e-01 15057 1 1 1 1 91 MET N 119.060 . 120.1 3.88 7.8867e-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 15057 1 1 1 1 24 PRO PRO 0.83 15057 1 1 1 1 24 PRO CYS 0.16 15057 1 1 1 1 91 MET CYS 0.69 15057 1 1 1 1 91 MET MET 0.22 15057 1 1 1 1 91 MET ILE 0.07 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15057 _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 15057 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 15057 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 15057 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15057 _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_