data_AVS_bmrb_pdb_report_5813 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 5813 _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 5813 1 1 1 1 50 TYR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 5813 1 1 1 1 118 TYR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 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 5813 1 1 1 1 50 TYR C 168.602 M 175.39 1.89 3.2874e-04 5813 1 1 1 1 50 TYR CA 52.667 . 58.02 2.64 4.2596e-02 5813 1 1 1 1 50 TYR CB 39.515 . 39.16 2.23 8.7352e-01 5813 1 1 1 1 50 TYR H 9.344 . 8.37 0.75 1.9406e-01 5813 1 1 1 1 50 TYR HA 5.487 . 4.63 0.56 1.2593e-01 5813 1 1 1 1 50 TYR HB2 2.641 . 2.91 0.37 4.6721e-01 5813 1 1 1 1 50 TYR HB3 2.460 . 2.91 0.37 2.2390e-01 5813 1 1 1 1 50 TYR HD2 6.498 . 6.86 0.68 5.9448e-01 5813 1 1 1 1 50 TYR HE2 6.385 . 6.63 0.61 6.8795e-01 5813 1 1 1 1 50 TYR N 124.475 . 120.79 4.69 4.3204e-01 5813 1 1 1 1 118 TYR C 169.016 M 175.39 1.89 7.4493e-04 5813 1 1 1 1 118 TYR CA 52.354 . 58.02 2.64 3.1856e-02 5813 1 1 1 1 118 TYR CB 39.202 . 39.16 2.23 9.8497e-01 5813 1 1 1 1 118 TYR H 9.444 . 8.37 0.75 1.5214e-01 5813 1 1 1 1 118 TYR HA 5.492 . 4.63 0.56 1.2373e-01 5813 1 1 1 1 118 TYR HB2 2.753 . 2.91 0.37 6.7133e-01 5813 1 1 1 1 118 TYR HB3 2.610 . 2.91 0.37 4.1747e-01 5813 1 1 1 1 118 TYR HD2 6.723 . 6.86 0.68 8.4033e-01 5813 1 1 1 1 118 TYR HE2 6.549 . 6.63 0.61 8.9436e-01 5813 1 1 1 1 118 TYR N 123.185 . 120.79 4.69 6.0959e-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 5813 1 1 1 1 50 TYR ASN 0.4 5813 1 1 1 1 50 TYR ASP 0.25 5813 1 1 1 1 50 TYR CYS 0.13 5813 1 1 1 1 50 TYR TYR 0.06 5813 1 1 1 1 50 TYR LEU 0.06 5813 1 1 1 1 50 TYR PHE 0.05 5813 1 1 1 1 118 TYR ASN 0.46 5813 1 1 1 1 118 TYR ASP 0.22 5813 1 1 1 1 118 TYR CYS 0.14 5813 1 1 1 1 118 TYR TYR 0.05 5813 1 1 1 1 118 TYR PHE 0.05 5813 1 1 1 1 118 TYR LEU 0.04 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 5813 _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 5813 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 5813 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 5813 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 5813 _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_