data_AVS_bmrb_pdb_report_18636 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 18636 _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 38 HIS Anomalous Consistent Consistent Consistent Consistent Anomalous . . 18636 1 1 1 1 49 HIS Anomalous Consistent Consistent Suspicious Consistent Anomalous . . 18636 1 1 1 1 118 HIS Anomalous Consistent Consistent Consistent Consistent Anomalous . . 18636 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 38 HIS C 177.807 . 175.25 1.97 1.9430e-01 18636 1 1 1 1 38 HIS CA 53.772 . 56.52 2.31 2.3420e-01 18636 1 1 1 1 38 HIS CB 31.064 . 30.24 2.07 6.9058e-01 18636 1 1 1 1 38 HIS CD2 117.466 . 120.49 3.42 3.7658e-01 18636 1 1 1 1 38 HIS H 8.276 . 8.24 0.68 9.5778e-01 18636 1 1 1 1 38 HIS HA 5.233 . 4.61 0.43 1.4738e-01 18636 1 1 1 1 38 HIS HB2 3.463 . 3.1 0.36 3.1329e-01 18636 1 1 1 1 38 HIS HB3 2.308 . 3.04 0.38 5.4065e-02 18636 1 1 1 1 38 HIS HD2 6.903 . 7 0.43 8.2153e-01 18636 1 1 1 1 38 HIS HE1 7.896 . 7.95 0.48 9.1043e-01 18636 1 1 1 1 38 HIS HE2 10.897 . 9.64 2.6 6.2877e-01 18636 1 1 1 1 38 HIS N 127.411 . 119.69 4 5.3576e-02 18636 1 1 1 1 38 HIS ND1 248.669 A 195.02 18.51 3.7510e-03 18636 1 1 1 1 38 HIS NE2 163.275 . 182.41 14.4 1.8391e-01 18636 1 1 1 1 49 HIS C 175.561 . 175.25 1.97 8.7456e-01 18636 1 1 1 1 49 HIS CA 53.379 . 56.52 2.31 1.7391e-01 18636 1 1 1 1 49 HIS CB 36.233 . 30.24 2.07 3.7895e-03 18636 1 1 1 1 49 HIS CD2 118.655 . 120.49 3.42 5.9158e-01 18636 1 1 1 1 49 HIS H 8.128 . 8.24 0.68 8.6918e-01 18636 1 1 1 1 49 HIS HA 6.662 S 4.61 0.43 1.8232e-06 18636 1 1 1 1 49 HIS HB2 3.030 . 3.1 0.36 8.4583e-01 18636 1 1 1 1 49 HIS HB3 2.266 . 3.04 0.38 4.1666e-02 18636 1 1 1 1 49 HIS HD2 5.532 S 7 0.43 6.4028e-04 18636 1 1 1 1 49 HIS HE1 6.638 . 7.95 0.48 6.2697e-03 18636 1 1 1 1 49 HIS HE2 10.663 . 9.64 2.6 6.9398e-01 18636 1 1 1 1 49 HIS N 111.380 . 119.69 4 3.7755e-02 18636 1 1 1 1 49 HIS ND1 234.086 A 195.02 18.51 3.4812e-02 18636 1 1 1 1 49 HIS NE2 158.704 A 182.41 14.4 9.9712e-02 18636 1 1 1 1 118 HIS C 179.295 . 175.25 1.97 4.0044e-02 18636 1 1 1 1 118 HIS CA 57.473 . 56.52 2.31 6.7993e-01 18636 1 1 1 1 118 HIS CB 32.523 . 30.24 2.07 2.7007e-01 18636 1 1 1 1 118 HIS CD2 114.099 . 120.49 3.42 6.1663e-02 18636 1 1 1 1 118 HIS H 8.193 . 8.24 0.68 9.4490e-01 18636 1 1 1 1 118 HIS HA 4.648 . 4.61 0.43 9.2958e-01 18636 1 1 1 1 118 HIS HB2 3.421 . 3.1 0.36 3.7257e-01 18636 1 1 1 1 118 HIS HB3 3.234 . 3.04 0.38 6.0968e-01 18636 1 1 1 1 118 HIS HD2 6.583 . 7 0.43 3.3216e-01 18636 1 1 1 1 118 HIS HE1 6.746 . 7.95 0.48 1.2130e-02 18636 1 1 1 1 118 HIS HE2 11.379 . 9.64 2.6 5.0359e-01 18636 1 1 1 1 118 HIS N 121.156 . 119.69 4 7.1399e-01 18636 1 1 1 1 118 HIS ND1 233.581 A 195.02 18.51 3.7228e-02 18636 1 1 1 1 118 HIS NE2 161.949 . 182.41 14.4 1.5534e-01 18636 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 38 HIS HIS 0.56 18636 1 1 1 1 38 HIS CYS 0.43 18636 1 1 1 1 49 HIS CYS 0.68 18636 1 1 1 1 49 HIS TYR 0.27 18636 1 1 1 1 49 HIS HIS 0.03 18636 1 1 1 1 118 HIS CYS 0.84 18636 1 1 1 1 118 HIS HIS 0.15 18636 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 18636 _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 18636 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 18636 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 18636 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 18636 _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_