data_AVS_bmrb_pdb_report_6313 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6313 _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 6313 1 1 1 1 69 HIS Anomalous Consistent Consistent Consistent Consistent Anomalous . . 6313 1 1 1 1 70 HIS Anomalous Consistent Consistent Consistent Consistent Anomalous . . 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 6313 1 1 1 1 69 HIS C 175.0 . 175.19 2.14 9.2925e-01 6313 1 1 1 1 69 HIS CA 56.3 . 56.37 2.4 9.7673e-01 6313 1 1 1 1 69 HIS CB 31.1 . 29.95 2.15 5.9273e-01 6313 1 1 1 1 69 HIS CD2 117.7 . 119.84 3.3 5.1667e-01 6313 1 1 1 1 69 HIS CE1 139.7 . 136.05 3.58 3.0794e-01 6313 1 1 1 1 69 HIS H 9.33 . 8.25 0.74 1.4444e-01 6313 1 1 1 1 69 HIS HA 4.42 . 4.62 0.51 6.9494e-01 6313 1 1 1 1 69 HIS HB2 2.46 . 3.12 0.43 1.2481e-01 6313 1 1 1 1 69 HIS HB3 3.11 . 3.11 0.45 1.0000e+00 6313 1 1 1 1 69 HIS HD2 6.90 . 7.08 0.5 7.1885e-01 6313 1 1 1 1 69 HIS HE1 7.59 . 8.08 0.57 3.8998e-01 6313 1 1 1 1 69 HIS N 131.6 . 119.44 4.52 7.1395e-03 6313 1 1 1 1 69 HIS ND1 250.0 M 190.74 22.84 9.4709e-03 6313 1 1 1 1 69 HIS NE2 165.0 . 179.81 13.86 2.8528e-01 6313 1 1 1 1 70 HIS C 176.7 . 175.19 2.14 4.8043e-01 6313 1 1 1 1 70 HIS CA 60.2 . 56.37 2.4 1.1053e-01 6313 1 1 1 1 70 HIS CB 30.0 . 29.95 2.15 9.8145e-01 6313 1 1 1 1 70 HIS CD2 118.8 . 119.84 3.3 7.5265e-01 6313 1 1 1 1 70 HIS CE1 138.1 . 136.05 3.58 5.6690e-01 6313 1 1 1 1 70 HIS H 8.94 . 8.25 0.74 3.5111e-01 6313 1 1 1 1 70 HIS HA 3.97 . 4.62 0.51 2.0248e-01 6313 1 1 1 1 70 HIS HB2 3.07 . 3.12 0.43 9.0743e-01 6313 1 1 1 1 70 HIS HB3 3.15 . 3.11 0.45 9.2917e-01 6313 1 1 1 1 70 HIS HD1 9.49 . 10.14 3.5 8.5267e-01 6313 1 1 1 1 70 HIS HD2 7.02 . 7.08 0.5 9.0448e-01 6313 1 1 1 1 70 HIS HE1 7.72 . 8.08 0.57 5.2766e-01 6313 1 1 1 1 70 HIS N 127.6 . 119.44 4.52 7.1026e-02 6313 1 1 1 1 70 HIS ND1 250.0 M 190.74 22.84 9.4709e-03 6313 1 1 1 1 70 HIS NE2 165.0 . 179.81 13.86 2.8528e-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 6313 1 1 1 1 69 HIS CYS 0.42 6313 1 1 1 1 69 HIS HIS 0.39 6313 1 1 1 1 69 HIS TRP 0.18 6313 1 1 1 1 70 HIS TRP 0.38 6313 1 1 1 1 70 HIS CYS 0.31 6313 1 1 1 1 70 HIS HIS 0.29 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6313 _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 6313 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 6313 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6313 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6313 _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_