data_AVS_bmrb_pdb_report_17927 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17927 _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 44 PRO Anomalous Consistent Consistent Anomalous Consistent Indeterminable . . 17927 1 1 1 1 93 HIS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 17927 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 44 PRO C 179.956 . 176.7 1.69 5.4026e-02 17927 1 1 1 1 44 PRO CA 65.642 . 63.3 1.64 1.5328e-01 17927 1 1 1 1 44 PRO CB 32.578 . 31.81 1.54 6.1799e-01 17927 1 1 1 1 44 PRO CG 28.066 . 27.14 1.18 4.3260e-01 17927 1 1 1 1 44 PRO CD 51.664 . 50.28 1.04 1.8326e-01 17927 1 1 1 1 44 PRO HA 4.487 . 4.41 0.36 8.3063e-01 17927 1 1 1 1 44 PRO HB2 2.577 . 2.05 0.39 1.7660e-01 17927 1 1 1 1 44 PRO HB3 1.900 . 2.05 0.39 7.0052e-01 17927 1 1 1 1 44 PRO HG2 2.314 . 1.93 0.36 2.8612e-01 17927 1 1 1 1 44 PRO HG3 2.120 . 1.92 0.37 5.8882e-01 17927 1 1 1 1 44 PRO HD2 4.672 A 3.64 0.36 4.1482e-03 17927 1 1 1 1 44 PRO HD3 3.792 . 3.63 0.4 6.8548e-01 17927 1 1 1 1 93 HIS C 173.590 . 175.19 2.14 4.5466e-01 17927 1 1 1 1 93 HIS CA 56.583 . 56.37 2.4 9.2928e-01 17927 1 1 1 1 93 HIS CB 32.250 . 29.95 2.15 2.8472e-01 17927 1 1 1 1 93 HIS CD2 115.742 . 119.84 3.3 2.1430e-01 17927 1 1 1 1 93 HIS CE1 137.073 . 136.05 3.58 7.7507e-01 17927 1 1 1 1 93 HIS H 8.038 . 8.25 0.74 7.7451e-01 17927 1 1 1 1 93 HIS HA 3.931 . 4.62 0.51 1.7670e-01 17927 1 1 1 1 93 HIS HB2 0.168 A 3.12 0.43 6.6437e-12 17927 1 1 1 1 93 HIS HB3 2.074 . 3.11 0.45 2.1323e-02 17927 1 1 1 1 93 HIS HD2 6.170 . 7.08 0.5 6.8759e-02 17927 1 1 1 1 93 HIS HE1 7.716 . 8.08 0.57 5.2309e-01 17927 1 1 1 1 93 HIS N 121.481 . 119.44 4.52 6.5159e-01 17927 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.PRTL_comp_type _AVS_analysis.PRTL_probability_score _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 44 PRO PRO 0.57 17927 1 1 1 1 44 PRO CYS 0.41 17927 1 1 1 1 93 HIS CYS 0.45 17927 1 1 1 1 93 HIS HIS 0.28 17927 1 1 1 1 93 HIS TRP 0.25 17927 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17927 _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.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 17927 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17927 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17927 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17927 _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_