data_AVS_bmrb_pdb_report_6533 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6533 _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 6533 1 1 1 1 42 PHE 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 6533 1 1 1 1 42 PHE C 175.601 . 175.49 2.13 9.5844e-01 6533 1 1 1 1 42 PHE CA 58.141 . 58.25 2.73 9.6815e-01 6533 1 1 1 1 42 PHE CB 39.324 . 39.95 2.04 7.5895e-01 6533 1 1 1 1 42 PHE CD1 132.874 . 131.38 1.38 2.7898e-01 6533 1 1 1 1 42 PHE CD2 132.874 . 131.33 1.48 2.9684e-01 6533 1 1 1 1 42 PHE CE1 130.888 . 130.48 1.29 7.5179e-01 6533 1 1 1 1 42 PHE CE2 130.888 . 130.6 0.97 7.6654e-01 6533 1 1 1 1 42 PHE CZ 129.179 . 129.11 1.68 9.6724e-01 6533 1 1 1 1 42 PHE H 8.321 . 8.42 0.74 8.9357e-01 6533 1 1 1 1 42 PHE HA 4.867 . 4.62 0.58 6.7021e-01 6533 1 1 1 1 42 PHE HB2 3.222 . 2.99 0.37 5.3064e-01 6533 1 1 1 1 42 PHE HB3 4.181 M 2.97 0.38 1.4384e-03 6533 1 1 1 1 42 PHE HD1 7.839 . 6.91 0.82 2.5724e-01 6533 1 1 1 1 42 PHE HD2 7.839 . 6.89 0.86 2.6982e-01 6533 1 1 1 1 42 PHE HE1 7.266 . 6.95 0.82 6.9997e-01 6533 1 1 1 1 42 PHE HE2 7.266 . 6.94 0.86 7.0464e-01 6533 1 1 1 1 42 PHE HZ 7.124 . 6.92 0.8 7.9872e-01 6533 1 1 1 1 42 PHE N 117.136 . 120.69 4.18 3.9519e-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 6533 1 1 1 1 42 PHE PHE 0.99 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6533 _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 6533 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 6533 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6533 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6533 _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_