data_AVS_bmrb_pdb_report_6416 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6416 _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 6416 1 1 1 1 63 TRP Anomalous Consistent Consistent Consistent Consistent Anomalous . . 6416 1 1 1 1 127 TYR Anomalous Consistent Consistent Consistent Consistent Anomalous . . 6416 1 1 1 1 168 GLN Anomalous Consistent Consistent Consistent Consistent Anomalous . . 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 6416 1 1 1 1 63 TRP C 174.85 . 176.1 1.89 5.0837e-01 6416 1 1 1 1 63 TRP CA 55.98 . 57.71 2.65 5.1387e-01 6416 1 1 1 1 63 TRP CB 30.82 . 30.16 2.19 7.6313e-01 6416 1 1 1 1 63 TRP H 9.54 . 8.35 0.84 1.5658e-01 6416 1 1 1 1 63 TRP N 134.89 M 121.87 4.58 4.4720e-03 6416 1 1 1 1 127 TYR C 174.65 . 175.39 1.89 6.9540e-01 6416 1 1 1 1 127 TYR CA 60.55 . 58.02 2.64 3.3789e-01 6416 1 1 1 1 127 TYR CB 35.50 . 39.16 2.23 1.0074e-01 6416 1 1 1 1 127 TYR H 8.60 . 8.37 0.75 7.5910e-01 6416 1 1 1 1 127 TYR N 136.59 M 120.79 4.69 7.5477e-04 6416 1 1 1 1 168 GLN C 175.25 . 176.39 1.96 5.6081e-01 6416 1 1 1 1 168 GLN CA 56.35 . 56.62 2.19 9.0188e-01 6416 1 1 1 1 168 GLN CB 30.50 . 29.1 1.97 4.7730e-01 6416 1 1 1 1 168 GLN H 9.15 . 8.22 0.62 1.3361e-01 6416 1 1 1 1 168 GLN N 136.44 M 119.92 4.01 3.7936e-05 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 6416 1 1 1 1 63 TRP ARG 0.17 6416 1 1 1 1 63 TRP HIS 0.17 6416 1 1 1 1 63 TRP TRP 0.14 6416 1 1 1 1 63 TRP GLU 0.13 6416 1 1 1 1 63 TRP MET 0.12 6416 1 1 1 1 63 TRP GLN 0.12 6416 1 1 1 1 63 TRP LYS 0.09 6416 1 1 1 1 63 TRP VAL 0.01 6416 1 1 1 1 127 TYR GLU 0.23 6416 1 1 1 1 127 TYR ILE 0.21 6416 1 1 1 1 127 TYR VAL 0.18 6416 1 1 1 1 127 TYR TYR 0.11 6416 1 1 1 1 127 TYR LYS 0.06 6416 1 1 1 1 127 TYR MET 0.06 6416 1 1 1 1 127 TYR PHE 0.04 6416 1 1 1 1 127 TYR GLN 0.03 6416 1 1 1 1 127 TYR TRP 0.01 6416 1 1 1 1 168 GLN HIS 0.17 6416 1 1 1 1 168 GLN ARG 0.17 6416 1 1 1 1 168 GLN TRP 0.15 6416 1 1 1 1 168 GLN GLU 0.15 6416 1 1 1 1 168 GLN GLN 0.13 6416 1 1 1 1 168 GLN MET 0.09 6416 1 1 1 1 168 GLN LYS 0.08 6416 1 1 1 1 168 GLN ILE 0.01 6416 1 1 1 1 168 GLN VAL 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6416 _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 6416 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 6416 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6416 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6416 _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_