data_AVS_bmrb_pdb_report_30197 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 30197 _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 11 HIS Anomalous Consistent Consistent Consistent Consistent Anomalous . . 30197 1 1 1 1 65 SEP UNSUPPORTED . . . . . . . 30197 1 1 1 1 68 HIS Anomalous Consistent Consistent Consistent Consistent Anomalous . . 30197 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 11 HIS C 175.7495 . 175.25 1.97 7.9984e-01 30197 1 1 1 1 11 HIS CA 56.6800 . 56.52 2.31 9.4478e-01 30197 1 1 1 1 11 HIS CB 32.0030 . 30.24 2.07 3.9439e-01 30197 1 1 1 1 11 HIS CD2 119.7120 . 120.49 3.42 8.2005e-01 30197 1 1 1 1 11 HIS CE1 138.9200 . 137.71 2.12 5.6817e-01 30197 1 1 1 1 11 HIS H 8.1690 . 8.24 0.68 9.1684e-01 30197 1 1 1 1 11 HIS HA 4.8630 . 4.61 0.43 5.5628e-01 30197 1 1 1 1 11 HIS HB2 3.2650 . 3.1 0.36 6.4671e-01 30197 1 1 1 1 11 HIS HB3 3.3200 . 3.04 0.38 4.6122e-01 30197 1 1 1 1 11 HIS HD2 7.2200 . 7 0.43 6.0891e-01 30197 1 1 1 1 11 HIS HE1 7.8960 . 7.95 0.48 9.1043e-01 30197 1 1 1 1 11 HIS N 119.7690 . 119.69 4 9.8424e-01 30197 1 1 1 1 11 HIS ND1 230.7335 A 195.02 18.51 5.3679e-02 30197 1 1 1 1 11 HIS NE2 179.0560 . 182.41 14.4 8.1583e-01 30197 1 1 1 1 68 HIS C 174.4137 . 175.25 1.97 6.7119e-01 30197 1 1 1 1 68 HIS CA 55.9030 . 56.52 2.31 7.8939e-01 30197 1 1 1 1 68 HIS CB 32.3810 . 30.24 2.07 3.0100e-01 30197 1 1 1 1 68 HIS CD2 118.7460 . 120.49 3.42 6.1009e-01 30197 1 1 1 1 68 HIS CE1 137.9170 . 137.71 2.12 9.2222e-01 30197 1 1 1 1 68 HIS H 8.9130 . 8.24 0.68 3.2232e-01 30197 1 1 1 1 68 HIS HA 5.0280 . 4.61 0.43 3.3100e-01 30197 1 1 1 1 68 HIS HB2 3.1480 . 3.1 0.36 8.9393e-01 30197 1 1 1 1 68 HIS HB3 2.9980 . 3.04 0.38 9.1199e-01 30197 1 1 1 1 68 HIS HD2 7.1160 . 7 0.43 7.8734e-01 30197 1 1 1 1 68 HIS HE1 7.7240 . 7.95 0.48 6.3776e-01 30197 1 1 1 1 68 HIS N 127.6420 . 119.69 4 4.6812e-02 30197 1 1 1 1 68 HIS ND1 235.1261 A 195.02 18.51 3.0256e-02 30197 1 1 1 1 68 HIS NE2 176.4721 . 182.41 14.4 6.8008e-01 30197 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 11 HIS HIS 0.33 30197 1 1 1 1 11 HIS CYS 0.33 30197 1 1 1 1 11 HIS TRP 0.32 30197 1 1 1 1 68 HIS HIS 0.38 30197 1 1 1 1 68 HIS CYS 0.34 30197 1 1 1 1 68 HIS TRP 0.27 30197 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 30197 _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 30197 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 30197 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 30197 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 30197 _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_