data_AVS_bmrb_pdb_report_17643 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17643 _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 30 THR Anomalous Consistent Consistent Anomalous Consistent Consistent . . 17643 1 1 1 1 70 THR Anomalous Consistent Consistent Anomalous Consistent Consistent . . 17643 1 1 1 1 179 THR Anomalous Consistent Consistent Anomalous Consistent Consistent . . 17643 1 1 1 1 204 THR Anomalous Consistent Consistent Anomalous Consistent Consistent . . 17643 1 1 1 1 225 THR Anomalous Consistent Consistent Anomalous Consistent Consistent . . 17643 1 1 1 2 1 FMN UNSUPPORTED . . . . . . . 17643 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 30 THR C 173.441 . 174.54 1.76 5.3234e-01 17643 1 1 1 1 30 THR CA 59.759 . 62.22 2.59 3.4201e-01 17643 1 1 1 1 30 THR CB 69.876 . 69.73 1.63 9.2863e-01 17643 1 1 1 1 30 THR H 9.675 . 8.24 0.62 2.0639e-02 17643 1 1 1 1 30 THR HG21 4.885 A 1.14 0.23 1.3116e-59 17643 1 1 1 1 30 THR HG22 4.885 A 1.14 0.23 1.3116e-59 17643 1 1 1 1 30 THR HG23 4.885 A 1.14 0.23 1.3116e-59 17643 1 1 1 1 30 THR N 119.997 . 115.42 4.75 3.3526e-01 17643 1 1 1 1 70 THR C 174.825 . 174.54 1.76 8.7136e-01 17643 1 1 1 1 70 THR CA 64.383 . 62.22 2.59 4.0364e-01 17643 1 1 1 1 70 THR CB 68.598 . 69.73 1.63 4.8738e-01 17643 1 1 1 1 70 THR H 7.751 . 8.24 0.62 4.3028e-01 17643 1 1 1 1 70 THR HG21 4.932 A 1.14 0.23 4.5531e-61 17643 1 1 1 1 70 THR HG22 4.932 A 1.14 0.23 4.5531e-61 17643 1 1 1 1 70 THR HG23 4.932 A 1.14 0.23 4.5531e-61 17643 1 1 1 1 70 THR N 118.366 . 115.42 4.75 5.3512e-01 17643 1 1 1 1 179 THR C 176.663 . 174.54 1.76 2.2772e-01 17643 1 1 1 1 179 THR CA 66.392 . 62.22 2.59 1.0722e-01 17643 1 1 1 1 179 THR CB 68.221 . 69.73 1.63 3.5457e-01 17643 1 1 1 1 179 THR H 8.220 . 8.24 0.62 9.7427e-01 17643 1 1 1 1 179 THR HG21 5.074 A 1.14 0.23 1.3773e-65 17643 1 1 1 1 179 THR HG22 5.074 A 1.14 0.23 1.3773e-65 17643 1 1 1 1 179 THR HG23 5.074 A 1.14 0.23 1.3773e-65 17643 1 1 1 1 179 THR N 113.585 . 115.42 4.75 6.9926e-01 17643 1 1 1 1 204 THR C 176.379 . 174.54 1.76 2.9608e-01 17643 1 1 1 1 204 THR CA 65.708 . 62.22 2.59 1.7807e-01 17643 1 1 1 1 204 THR CB 67.882 . 69.73 1.63 2.5690e-01 17643 1 1 1 1 204 THR H 7.780 . 8.24 0.62 4.5813e-01 17643 1 1 1 1 204 THR HG21 5.874 A 1.14 0.23 0.0000e+00 17643 1 1 1 1 204 THR HG22 5.874 A 1.14 0.23 0.0000e+00 17643 1 1 1 1 204 THR HG23 5.874 A 1.14 0.23 0.0000e+00 17643 1 1 1 1 204 THR N 118.065 . 115.42 4.75 5.7764e-01 17643 1 1 1 1 225 THR C 175.732 . 174.54 1.76 4.9823e-01 17643 1 1 1 1 225 THR CA 58.990 . 62.22 2.59 2.1236e-01 17643 1 1 1 1 225 THR CB 71.154 . 69.73 1.63 3.8233e-01 17643 1 1 1 1 225 THR H 9.000 . 8.24 0.62 2.2027e-01 17643 1 1 1 1 225 THR HG21 5.379 A 1.14 0.23 7.4879e-76 17643 1 1 1 1 225 THR HG22 5.379 A 1.14 0.23 7.4879e-76 17643 1 1 1 1 225 THR HG23 5.379 A 1.14 0.23 7.4879e-76 17643 1 1 1 1 225 THR N 116.619 . 115.42 4.75 8.0072e-01 17643 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 30 THR THR 0.99 17643 1 1 1 1 70 THR THR 0.99 17643 1 1 1 1 179 THR THR 0.99 17643 1 1 1 1 204 THR THR 0.99 17643 1 1 1 1 225 THR THR 0.99 17643 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17643 _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 17643 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17643 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17643 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17643 _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_