data_AVS_bmrb_pdb_report_4834 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 4834 _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 4834 1 1 1 1 14 THR Anomalous Consistent Consistent Anomalous Consistent Consistent . . 4834 1 1 1 1 158 HIS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 4834 1 1 1 1 165 TYR Anomalous Consistent Consistent Anomalous Consistent 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 4834 1 1 1 1 14 THR C 176.9 . 174.6 1.8 2.0133e-01 4834 1 1 1 1 14 THR CA 66.7 . 62.15 2.72 9.4368e-02 4834 1 1 1 1 14 THR CB 67.7 . 69.64 1.7 2.5380e-01 4834 1 1 1 1 14 THR H 11.39 M 8.27 0.62 4.8474e-07 4834 1 1 1 1 14 THR HA 3.92 . 4.48 0.5 2.6271e-01 4834 1 1 1 1 14 THR HB 4.11 . 4.17 0.37 8.7118e-01 4834 1 1 1 1 14 THR N 121.3 . 115.7 5.05 2.6747e-01 4834 1 1 1 1 158 HIS C 180.2 M 175.19 2.14 1.9226e-02 4834 1 1 1 1 158 HIS CA 59.2 . 56.37 2.4 2.3833e-01 4834 1 1 1 1 158 HIS CB 29.4 . 29.95 2.15 7.9809e-01 4834 1 1 1 1 158 HIS H 7.38 . 8.25 0.74 2.3972e-01 4834 1 1 1 1 158 HIS HA 4.78 . 4.62 0.51 7.5373e-01 4834 1 1 1 1 158 HIS HB2 2.62 . 3.12 0.43 2.4491e-01 4834 1 1 1 1 158 HIS HB3 2.62 . 3.11 0.45 2.7620e-01 4834 1 1 1 1 158 HIS N 114.4 . 119.44 4.52 2.6483e-01 4834 1 1 1 1 165 TYR C 177.1 . 175.39 1.89 3.6559e-01 4834 1 1 1 1 165 TYR CA 56.0 . 58.02 2.64 4.4418e-01 4834 1 1 1 1 165 TYR H 5.06 M 8.37 0.75 1.0179e-05 4834 1 1 1 1 165 TYR HA 3.98 . 4.63 0.56 2.4576e-01 4834 1 1 1 1 165 TYR HB2 3.01 . 2.91 0.37 7.8695e-01 4834 1 1 1 1 165 TYR HB3 3.01 . 2.91 0.37 7.8695e-01 4834 1 1 1 1 165 TYR N 112.2 . 120.79 4.69 6.7018e-02 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 4834 1 1 1 1 14 THR THR 0.99 4834 1 1 1 1 158 HIS CYS 0.16 4834 1 1 1 1 158 HIS GLU 0.16 4834 1 1 1 1 158 HIS LYS 0.12 4834 1 1 1 1 158 HIS ILE 0.12 4834 1 1 1 1 158 HIS ARG 0.12 4834 1 1 1 1 158 HIS GLN 0.11 4834 1 1 1 1 158 HIS HIS 0.11 4834 1 1 1 1 158 HIS VAL 0.03 4834 1 1 1 1 158 HIS MET 0.03 4834 1 1 1 1 165 TYR MET 0.11 4834 1 1 1 1 165 TYR HIS 0.1 4834 1 1 1 1 165 TYR LEU 0.1 4834 1 1 1 1 165 TYR GLN 0.09 4834 1 1 1 1 165 TYR LYS 0.08 4834 1 1 1 1 165 TYR ARG 0.08 4834 1 1 1 1 165 TYR CYS 0.08 4834 1 1 1 1 165 TYR GLU 0.06 4834 1 1 1 1 165 TYR ASP 0.05 4834 1 1 1 1 165 TYR TYR 0.05 4834 1 1 1 1 165 TYR PHE 0.05 4834 1 1 1 1 165 TYR SER 0.02 4834 1 1 1 1 165 TYR ASN 0.02 4834 1 1 1 1 165 TYR ALA 0.02 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 4834 _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 4834 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 4834 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 4834 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 4834 _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_