data_AVS_bmrb_pdb_report_6581 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6581 _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 6581 1 1 1 1 44 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 6581 1 1 1 1 44 PHE C 173.7 . 175.49 2.13 4.0070e-01 6581 1 1 1 1 44 PHE CA 56.4 . 58.25 2.73 4.9799e-01 6581 1 1 1 1 44 PHE CB 40.6 . 39.95 2.04 7.5001e-01 6581 1 1 1 1 44 PHE CD1 134.3 M 131.38 1.38 3.4350e-02 6581 1 1 1 1 44 PHE CE1 131.4 . 130.48 1.29 4.7574e-01 6581 1 1 1 1 44 PHE CZ 128.3 . 129.11 1.68 6.2970e-01 6581 1 1 1 1 44 PHE H 8.83 . 8.42 0.74 5.7954e-01 6581 1 1 1 1 44 PHE HA 4.94 . 4.62 0.58 5.8114e-01 6581 1 1 1 1 44 PHE HB2 3.32 . 2.99 0.37 3.7245e-01 6581 1 1 1 1 44 PHE HB3 3.43 . 2.97 0.38 2.2608e-01 6581 1 1 1 1 44 PHE HD1 7.10 . 6.91 0.82 8.1677e-01 6581 1 1 1 1 44 PHE HD2 7.10 . 6.89 0.86 8.0709e-01 6581 1 1 1 1 44 PHE HE1 7.51 . 6.95 0.82 4.9465e-01 6581 1 1 1 1 44 PHE HE2 7.51 . 6.94 0.86 5.0746e-01 6581 1 1 1 1 44 PHE HZ 6.84 . 6.92 0.8 9.2034e-01 6581 1 1 1 1 44 PHE N 116.7 . 120.69 4.18 3.3981e-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 6581 1 1 1 1 44 PHE TYR 0.66 6581 1 1 1 1 44 PHE PHE 0.33 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6581 _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 6581 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 6581 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6581 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6581 _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_