data_AVS_bmrb_pdb_report_4565 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 4565 _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 24 THR Anomalous Consistent Consistent Anomalous Consistent Consistent . . 4565 1 1 1 1 145 THR Anomalous Consistent Consistent Anomalous Consistent Consistent . . 4565 1 1 1 2 521 ILE UNSUPPORTED . . . . . . . 4565 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 24 THR CA 54.66 . 62.22 2.59 3.5125e-03 4565 1 1 1 1 24 THR CB 67.38 . 69.73 1.63 1.4938e-01 4565 1 1 1 1 24 THR CG2 19.32 . 21.55 1.11 4.4536e-02 4565 1 1 1 1 24 THR H 5.12 A 8.24 0.62 4.8474e-07 4565 1 1 1 1 24 THR HA 5.02 . 4.46 0.48 2.4334e-01 4565 1 1 1 1 24 THR HB 2.83 S 4.17 0.33 4.8945e-05 4565 1 1 1 1 24 THR HG21 0.51 . 1.14 0.23 6.1602e-03 4565 1 1 1 1 24 THR HG22 0.51 . 1.14 0.23 6.1602e-03 4565 1 1 1 1 24 THR HG23 0.51 . 1.14 0.23 6.1602e-03 4565 1 1 1 1 24 THR N 114.93 . 115.42 4.75 9.1784e-01 4565 1 1 1 1 145 THR C 170.73 . 174.54 1.76 3.0405e-02 4565 1 1 1 1 145 THR CA 59.04 . 62.22 2.59 2.1952e-01 4565 1 1 1 1 145 THR CB 69.32 . 69.73 1.63 8.0140e-01 4565 1 1 1 1 145 THR CG2 19.49 . 21.55 1.11 6.3474e-02 4565 1 1 1 1 145 THR H 5.37 A 8.24 0.62 3.6738e-06 4565 1 1 1 1 145 THR HA 4.21 . 4.46 0.48 6.0248e-01 4565 1 1 1 1 145 THR HB 3.94 . 4.17 0.33 4.8582e-01 4565 1 1 1 1 145 THR HG21 1.09 . 1.14 0.23 8.2790e-01 4565 1 1 1 1 145 THR HG22 1.09 . 1.14 0.23 8.2790e-01 4565 1 1 1 1 145 THR HG23 1.09 . 1.14 0.23 8.2790e-01 4565 1 1 1 1 145 THR N 119.93 . 115.42 4.75 3.4238e-01 4565 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 24 THR ALA 0.98 4565 1 1 1 1 24 THR SER 0.01 4565 1 1 1 1 145 THR THR 0.93 4565 1 1 1 1 145 THR ALA 0.06 4565 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 4565 _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 4565 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 4565 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 4565 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 4565 _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_