data_AVS_bmrb_pdb_report_16135 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16135 _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 35 ARG Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16135 1 1 1 1 105 ILE Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16135 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 35 ARG C 174.51 . 176.49 2.16 3.5932e-01 16135 1 1 1 1 35 ARG CA 52.91 . 56.95 2.41 9.3670e-02 16135 1 1 1 1 35 ARG CB 32.92 . 30.66 1.77 2.0166e-01 16135 1 1 1 1 35 ARG CD 46.66 A 43.1 1.1 1.2106e-03 16135 1 1 1 1 35 ARG H 9.06 . 8.24 0.6 1.7173e-01 16135 1 1 1 1 35 ARG HA 4.41 . 4.27 0.44 7.5035e-01 16135 1 1 1 1 35 ARG HB2 1.48 . 1.79 0.28 2.6823e-01 16135 1 1 1 1 35 ARG HB3 1.48 . 1.78 0.28 2.8398e-01 16135 1 1 1 1 35 ARG N 118.92 . 120.61 3.9 6.6477e-01 16135 1 1 1 1 105 ILE C 180.72 . 175.82 1.95 1.1977e-02 16135 1 1 1 1 105 ILE CA 62.85 . 61.59 2.78 6.5038e-01 16135 1 1 1 1 105 ILE CB 44.74 A 38.58 2.09 3.2049e-03 16135 1 1 1 1 105 ILE CG2 17.83 . 17.36 1.6 7.6895e-01 16135 1 1 1 1 105 ILE CD1 13.36 . 13.41 1.91 9.7912e-01 16135 1 1 1 1 105 ILE H 7.57 . 8.26 0.71 3.3113e-01 16135 1 1 1 1 105 ILE HA 4.21 . 4.2 0.56 9.8575e-01 16135 1 1 1 1 105 ILE HB 1.75 . 1.8 0.31 8.7186e-01 16135 1 1 1 1 105 ILE HG21 0.94 . 0.8 0.29 6.2927e-01 16135 1 1 1 1 105 ILE HG22 0.94 . 0.8 0.29 6.2927e-01 16135 1 1 1 1 105 ILE HG23 0.94 . 0.8 0.29 6.2927e-01 16135 1 1 1 1 105 ILE HD11 0.89 . 0.7 0.3 5.2652e-01 16135 1 1 1 1 105 ILE HD12 0.89 . 0.7 0.3 5.2652e-01 16135 1 1 1 1 105 ILE HD13 0.89 . 0.7 0.3 5.2652e-01 16135 1 1 1 1 105 ILE N 123.99 . 121.6 4.72 6.1261e-01 16135 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 35 ARG CYS 0.53 16135 1 1 1 1 35 ARG GLY 0.45 16135 1 1 1 1 105 ILE GLY 0.82 16135 1 1 1 1 105 ILE CYS 0.1 16135 1 1 1 1 105 ILE ILE 0.07 16135 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16135 _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 16135 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16135 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16135 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16135 _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_