data_AVS_bmrb_pdb_report_10312 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 10312 _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 10 LYS Anomalous Consistent Suspicious Anomalous Consistent Consistent "HE2 > HB2" 0.9970 10312 1 1 1 1 75 HIS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 10312 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 10 LYS C 172.850 . 176.46 2.05 7.8243e-02 10312 1 1 1 1 10 LYS CA 56.235 . 56.84 2.25 7.8802e-01 10312 1 1 1 1 10 LYS CB 36.015 . 32.83 1.88 9.0237e-02 10312 1 1 1 1 10 LYS CG 25.275 . 24.91 1.31 7.8053e-01 10312 1 1 1 1 10 LYS CD 28.965 . 28.78 1.39 8.9412e-01 10312 1 1 1 1 10 LYS CE 40.420 . 41.78 0.98 1.6521e-01 10312 1 1 1 1 10 LYS H 7.842 . 8.22 0.64 5.5477e-01 10312 1 1 1 1 10 LYS HA 4.295 . 4.28 0.45 9.7341e-01 10312 1 1 1 1 10 LYS HB2 1.242 . 1.79 0.25 2.8380e-02 10312 1 1 1 1 10 LYS HB3 0.921 S 1.78 0.26 9.5368e-04 10312 1 1 1 1 10 LYS HG2 0.054 S 1.38 0.27 9.0562e-07 10312 1 1 1 1 10 LYS HG3 0.862 . 1.37 0.29 7.9821e-02 10312 1 1 1 1 10 LYS HD2 0.773 S 1.61 0.25 8.1397e-04 10312 1 1 1 1 10 LYS HD3 -0.415 A 1.61 0.25 5.4959e-16 10312 1 1 1 1 10 LYS HE2 0.965 A 2.93 0.2 8.7874e-23 10312 1 1 1 1 10 LYS HE3 1.772 S 2.93 0.2 7.0386e-09 10312 1 1 1 1 10 LYS N 121.823 . 121.16 4.11 8.7185e-01 10312 1 1 1 1 75 HIS C 173.107 . 175.19 2.14 3.3037e-01 10312 1 1 1 1 75 HIS CA 55.000 . 56.37 2.4 5.6811e-01 10312 1 1 1 1 75 HIS CB 30.861 . 29.95 2.15 6.7177e-01 10312 1 1 1 1 75 HIS CD2 116.624 . 119.84 3.3 3.2979e-01 10312 1 1 1 1 75 HIS CE1 141.858 A 136.05 3.58 1.0473e-01 10312 1 1 1 1 75 HIS H 8.045 . 8.25 0.74 7.8176e-01 10312 1 1 1 1 75 HIS HA 5.043 . 4.62 0.51 4.0687e-01 10312 1 1 1 1 75 HIS HB2 2.963 . 3.12 0.43 7.1502e-01 10312 1 1 1 1 75 HIS HB3 3.123 . 3.11 0.45 9.7695e-01 10312 1 1 1 1 75 HIS HD2 6.862 . 7.08 0.5 6.6284e-01 10312 1 1 1 1 75 HIS HE1 7.596 . 8.08 0.57 3.9581e-01 10312 1 1 1 1 75 HIS N 116.010 . 119.44 4.52 4.4794e-01 10312 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 10 LYS CYS 0.63 10312 1 1 1 1 10 LYS LYS 0.29 10312 1 1 1 1 10 LYS ARG 0.05 10312 1 1 1 1 10 LYS MET 0.01 10312 1 1 1 1 75 HIS CYS 0.59 10312 1 1 1 1 75 HIS HIS 0.34 10312 1 1 1 1 75 HIS TRP 0.06 10312 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 10312 _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 10312 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 10312 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 10312 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 10312 _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_