data_AVS_bmrb_pdb_report_5316 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 5316 _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 5316 1 1 1 1 16 GLU Anomalous Consistent Consistent Consistent Consistent Anomalous . . 5316 1 1 1 1 43 PHE 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 5316 1 1 1 1 16 GLU C 177.113 . 176.93 2.11 9.3089e-01 5316 1 1 1 1 16 GLU CA 56.304 . 57.42 2.19 6.1034e-01 5316 1 1 1 1 16 GLU CB 29.027 . 30.07 1.84 5.7082e-01 5316 1 1 1 1 16 GLU CG 36.285 . 36.01 1.51 8.5549e-01 5316 1 1 1 1 16 GLU H 7.579 . 8.34 0.61 2.1220e-01 5316 1 1 1 1 16 GLU HA 4.643 . 4.26 0.43 3.7309e-01 5316 1 1 1 1 16 GLU HB2 2.277 . 2.04 0.22 2.8136e-01 5316 1 1 1 1 16 GLU HB3 2.078 . 2.04 0.23 8.6877e-01 5316 1 1 1 1 16 GLU HG2 2.924 . 2.31 0.21 3.4578e-03 5316 1 1 1 1 16 GLU HG3 2.580 . 2.31 0.21 1.9854e-01 5316 1 1 1 1 16 GLU N 107.878 M 120.68 3.68 5.0366e-04 5316 1 1 1 1 43 PHE C 173.835 . 175.49 2.13 4.3716e-01 5316 1 1 1 1 43 PHE CA 57.203 . 58.25 2.73 7.0134e-01 5316 1 1 1 1 43 PHE CB 38.669 . 39.95 2.04 5.3004e-01 5316 1 1 1 1 43 PHE CD1 131.080 . 131.38 1.38 8.2790e-01 5316 1 1 1 1 43 PHE CE1 133.325 M 130.48 1.29 2.7424e-02 5316 1 1 1 1 43 PHE H 7.557 . 8.42 0.74 2.4353e-01 5316 1 1 1 1 43 PHE HA 4.569 . 4.62 0.58 9.2993e-01 5316 1 1 1 1 43 PHE HB2 3.449 . 2.99 0.37 2.1478e-01 5316 1 1 1 1 43 PHE HB3 2.697 . 2.97 0.38 4.7250e-01 5316 1 1 1 1 43 PHE HD1 7.150 . 6.91 0.82 7.6976e-01 5316 1 1 1 1 43 PHE HE1 7.012 . 6.95 0.82 9.3973e-01 5316 1 1 1 1 43 PHE N 117.796 . 120.69 4.18 4.8872e-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 5316 1 1 1 1 16 GLU CYS 0.35 5316 1 1 1 1 16 GLU GLU 0.35 5316 1 1 1 1 16 GLU LYS 0.12 5316 1 1 1 1 16 GLU ILE 0.06 5316 1 1 1 1 16 GLU GLN 0.05 5316 1 1 1 1 16 GLU MET 0.03 5316 1 1 1 1 43 PHE TYR 0.47 5316 1 1 1 1 43 PHE CYS 0.4 5316 1 1 1 1 43 PHE PHE 0.12 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 5316 _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 5316 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 5316 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 5316 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 5316 _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_