data_AVS_bmrb_pdb_report_15684 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15684 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _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 _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 117 TYR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15684 1 1 1 1 120 PHE Anomalous Consistent Consistent Anomalous Consistent Consistent . . 15684 1 1 1 1 141 GLY Anomalous Consistent Consistent Anomalous Consistent Consistent . . 15684 1 stop_ loop_ _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 _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 117 TYR C 176.380 . 175.39 1.89 6.0041e-01 15684 1 1 1 1 117 TYR CA 65.994 A 58.02 2.64 2.5240e-03 15684 1 1 1 1 117 TYR CB 36.811 . 39.16 2.23 2.9217e-01 15684 1 1 1 1 117 TYR H 8.911 . 8.37 0.75 4.7070e-01 15684 1 1 1 1 117 TYR HA 3.773 . 4.63 0.56 1.2593e-01 15684 1 1 1 1 117 TYR HB2 3.578 . 2.91 0.37 7.1011e-02 15684 1 1 1 1 117 TYR HB3 2.829 . 2.91 0.37 8.2671e-01 15684 1 1 1 1 117 TYR HD1 6.327 . 6.87 0.65 4.0350e-01 15684 1 1 1 1 117 TYR HD2 6.327 . 6.86 0.68 4.3314e-01 15684 1 1 1 1 117 TYR HE1 6.861 . 6.64 0.58 7.0318e-01 15684 1 1 1 1 117 TYR HE2 6.861 . 6.63 0.61 7.0492e-01 15684 1 1 1 1 117 TYR N 116.080 . 120.79 4.69 3.1525e-01 15684 1 1 1 1 120 PHE C 174.194 . 175.49 2.13 5.4289e-01 15684 1 1 1 1 120 PHE CA 56.411 . 58.25 2.73 5.0055e-01 15684 1 1 1 1 120 PHE CB 46.138 . 39.95 2.04 2.4187e-03 15684 1 1 1 1 120 PHE H 10.043 . 8.42 0.74 2.8290e-02 15684 1 1 1 1 120 PHE HA 6.571 A 4.62 0.58 7.6879e-04 15684 1 1 1 1 120 PHE HB2 3.368 . 2.99 0.37 3.0696e-01 15684 1 1 1 1 120 PHE HB3 3.368 . 2.97 0.38 2.9493e-01 15684 1 1 1 1 120 PHE HD1 7.033 . 6.91 0.82 8.8076e-01 15684 1 1 1 1 120 PHE HD2 7.033 . 6.89 0.86 8.6794e-01 15684 1 1 1 1 120 PHE N 120.038 . 120.69 4.18 8.7605e-01 15684 1 1 1 1 141 GLY C 175.449 . 174.04 1.94 4.6766e-01 15684 1 1 1 1 141 GLY CA 44.208 . 45.33 1.42 4.2945e-01 15684 1 1 1 1 141 GLY H 10.051 . 8.34 0.74 2.0769e-02 15684 1 1 1 1 141 GLY HA2 6.179 A 3.95 0.4 2.5111e-08 15684 1 1 1 1 141 GLY HA3 4.133 . 3.93 0.4 6.1180e-01 15684 1 1 1 1 141 GLY N 105.785 . 109.91 4.29 3.3628e-01 15684 1 stop_ loop_ _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 _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 117 TYR ILE 0.66 15684 1 1 1 1 117 TYR VAL 0.16 15684 1 1 1 1 117 TYR CYS 0.13 15684 1 1 1 1 117 TYR TYR 0.01 15684 1 1 1 1 117 TYR PHE 0.01 15684 1 1 1 1 120 PHE GLY 0.61 15684 1 1 1 1 120 PHE CYS 0.21 15684 1 1 1 1 120 PHE LEU 0.13 15684 1 1 1 1 120 PHE ARG 0.02 15684 1 1 1 1 141 GLY GLY 0.32 15684 1 1 1 1 141 GLY LEU 0.24 15684 1 1 1 1 141 GLY ARG 0.23 15684 1 1 1 1 141 GLY CYS 0.1 15684 1 1 1 1 141 GLY PHE 0.02 15684 1 1 1 1 141 GLY ASP 0.02 15684 1 1 1 1 141 GLY TYR 0.01 15684 1 1 1 1 141 GLY LYS 0.01 15684 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15684 _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.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu 15684 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 15684 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 15684 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15684 _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_