data_AVS_bmrb_pdb_report_34089 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 34089 _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 26 ARG Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 34089 1 1 1 1 37 ARG Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 34089 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 26 ARG C 177.412 . 176.41 2.03 6.2159e-01 34089 1 1 1 1 26 ARG CA 57.628 . 56.77 2.31 7.1032e-01 34089 1 1 1 1 26 ARG CB 32.764 . 30.7 1.83 2.5938e-01 34089 1 1 1 1 26 ARG CG 27.476 . 27.21 1.2 8.2457e-01 34089 1 1 1 1 26 ARG CD 44.027 . 43.16 0.88 3.2451e-01 34089 1 1 1 1 26 ARG CZ 179.887 A 159.97 2.95 1.4630e-11 34089 1 1 1 1 26 ARG H 8.050 . 8.24 0.61 7.5544e-01 34089 1 1 1 1 26 ARG HA 4.283 . 4.3 0.46 9.7052e-01 34089 1 1 1 1 26 ARG HB2 2.102 . 1.79 0.27 2.4786e-01 34089 1 1 1 1 26 ARG HB3 2.030 . 1.76 0.28 3.3490e-01 34089 1 1 1 1 26 ARG HG2 1.858 . 1.57 0.27 2.8612e-01 34089 1 1 1 1 26 ARG HG3 1.795 . 1.54 0.29 3.7923e-01 34089 1 1 1 1 26 ARG HD2 3.226 . 3.12 0.24 6.5873e-01 34089 1 1 1 1 26 ARG HD3 3.226 . 3.1 0.26 6.2795e-01 34089 1 1 1 1 26 ARG HE 7.011 . 7.4 0.63 5.3693e-01 34089 1 1 1 1 26 ARG N 115.776 . 120.8 3.68 1.7218e-01 34089 1 1 1 1 26 ARG NE 83.482 . 84.63 1.68 4.9440e-01 34089 1 1 1 1 37 ARG C 178.538 . 176.41 2.03 2.9451e-01 34089 1 1 1 1 37 ARG CA 57.633 . 56.77 2.31 7.0871e-01 34089 1 1 1 1 37 ARG CB 29.696 . 30.7 1.83 5.8326e-01 34089 1 1 1 1 37 ARG CG 26.936 . 27.21 1.2 8.1939e-01 34089 1 1 1 1 37 ARG CD 42.472 . 43.16 0.88 4.3432e-01 34089 1 1 1 1 37 ARG CZ 179.920 A 159.97 2.95 1.3543e-11 34089 1 1 1 1 37 ARG H 8.036 . 8.24 0.61 7.3806e-01 34089 1 1 1 1 37 ARG HA 4.325 . 4.3 0.46 9.5666e-01 34089 1 1 1 1 37 ARG HB2 2.066 . 1.79 0.27 3.0668e-01 34089 1 1 1 1 37 ARG HB3 1.980 . 1.76 0.28 4.3204e-01 34089 1 1 1 1 37 ARG HG2 1.981 . 1.57 0.27 1.2795e-01 34089 1 1 1 1 37 ARG HG3 1.917 . 1.54 0.29 1.9360e-01 34089 1 1 1 1 37 ARG HD2 3.325 . 3.12 0.24 3.9301e-01 34089 1 1 1 1 37 ARG HD3 3.287 . 3.1 0.26 4.7200e-01 34089 1 1 1 1 37 ARG HE 7.650 . 7.4 0.63 6.9150e-01 34089 1 1 1 1 37 ARG N 117.769 . 120.8 3.68 4.1014e-01 34089 1 1 1 1 37 ARG NE 83.967 . 84.63 1.68 6.9311e-01 34089 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 26 ARG GLN 0.62 34089 1 1 1 1 26 ARG GLY 0.27 34089 1 1 1 1 26 ARG ASP 0.09 34089 1 1 1 1 26 ARG GLU 0.01 34089 1 1 1 1 37 ARG ASP 0.9 34089 1 1 1 1 37 ARG GLY 0.08 34089 1 1 1 1 37 ARG GLN 0.01 34089 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 34089 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 2011-12-10 _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 34089 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 34089 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 34089 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 34089 _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_