data_AVS_bmrb_pdb_report_17392 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17392 _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 15 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 17392 1 1 1 1 36 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 17392 1 1 1 1 77 TYR Anomalous Consistent Consistent Anomalous Consistent Consistent . . 17392 1 1 1 2 281 J UNSUPPORTED . . . . . . . 17392 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 15 ARG CA 60.523 . 56.77 2.31 1.0423e-01 17392 1 1 1 1 15 ARG CB 29.734 . 30.7 1.83 5.9759e-01 17392 1 1 1 1 15 ARG CG 28.314 . 27.21 1.2 3.5757e-01 17392 1 1 1 1 15 ARG CD 43.463 . 43.16 0.88 7.3061e-01 17392 1 1 1 1 15 ARG H 8.119 . 8.24 0.61 8.4276e-01 17392 1 1 1 1 15 ARG HA 3.662 . 4.3 0.46 1.6545e-01 17392 1 1 1 1 15 ARG HB2 1.859 . 1.79 0.27 7.9829e-01 17392 1 1 1 1 15 ARG HG2 1.544 . 1.57 0.27 9.2329e-01 17392 1 1 1 1 15 ARG HG3 1.452 . 1.54 0.29 7.6155e-01 17392 1 1 1 1 15 ARG HD2 3.278 . 3.12 0.24 5.1032e-01 17392 1 1 1 1 15 ARG HE 7.802 . 7.4 0.63 5.2341e-01 17392 1 1 1 1 15 ARG HH21 7.874 . 6.81 0.48 2.6646e-02 17392 1 1 1 1 15 ARG N 118.605 . 120.8 3.68 5.5086e-01 17392 1 1 1 1 15 ARG NE 123.620 A 84.63 1.68 0.0000e+00 17392 1 1 1 1 36 ARG CA 59.590 . 56.77 2.31 2.2217e-01 17392 1 1 1 1 36 ARG CB 31.390 . 30.7 1.83 7.0614e-01 17392 1 1 1 1 36 ARG CG 27.841 . 27.21 1.2 5.9900e-01 17392 1 1 1 1 36 ARG CD 44.179 . 43.16 0.88 2.4688e-01 17392 1 1 1 1 36 ARG H 7.121 . 8.24 0.61 6.6591e-02 17392 1 1 1 1 36 ARG HA 3.905 . 4.3 0.46 3.9051e-01 17392 1 1 1 1 36 ARG HB2 2.139 . 1.79 0.27 1.9615e-01 17392 1 1 1 1 36 ARG HB3 1.857 . 1.76 0.28 7.2902e-01 17392 1 1 1 1 36 ARG HG2 2.169 . 1.57 0.27 2.6520e-02 17392 1 1 1 1 36 ARG HG3 1.358 . 1.54 0.29 5.3028e-01 17392 1 1 1 1 36 ARG HD2 3.213 . 3.12 0.24 6.9839e-01 17392 1 1 1 1 36 ARG HD3 3.001 . 3.1 0.26 7.0337e-01 17392 1 1 1 1 36 ARG HE 6.438 . 7.4 0.63 1.2676e-01 17392 1 1 1 1 36 ARG N 117.755 . 120.8 3.68 4.0798e-01 17392 1 1 1 1 36 ARG NE 121.920 A 84.63 1.68 0.0000e+00 17392 1 1 1 1 77 TYR CA 59.603 . 58.13 2.51 5.5730e-01 17392 1 1 1 1 77 TYR CB 37.582 . 39.32 2.16 4.2103e-01 17392 1 1 1 1 77 TYR CD1 131.064 . 132.77 1.17 1.4481e-01 17392 1 1 1 1 77 TYR CE1 115.754 . 117.93 1.19 6.7464e-02 17392 1 1 1 1 77 TYR H 6.269 . 8.32 0.73 4.9605e-03 17392 1 1 1 1 77 TYR HA 3.366 . 4.63 0.56 2.3999e-02 17392 1 1 1 1 77 TYR HB2 2.638 . 2.91 0.37 4.6226e-01 17392 1 1 1 1 77 TYR HB3 1.751 . 2.84 0.39 5.2334e-03 17392 1 1 1 1 77 TYR HD1 6.697 . 6.93 0.3 4.3736e-01 17392 1 1 1 1 77 TYR HE1 6.591 . 6.7 0.23 6.3556e-01 17392 1 1 1 1 77 TYR HH 5.810 A 9.3 1.36 1.0283e-02 17392 1 1 1 1 77 TYR N 120.538 . 120.52 4.2 9.9658e-01 17392 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 15 ARG CYS 0.53 17392 1 1 1 1 15 ARG ARG 0.31 17392 1 1 1 1 15 ARG GLY 0.11 17392 1 1 1 1 15 ARG LYS 0.03 17392 1 1 1 1 36 ARG CYS 0.49 17392 1 1 1 1 36 ARG ARG 0.28 17392 1 1 1 1 36 ARG GLY 0.2 17392 1 1 1 1 36 ARG LYS 0.01 17392 1 1 1 1 77 TYR CYS 0.79 17392 1 1 1 1 77 TYR TYR 0.2 17392 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17392 _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 17392 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17392 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17392 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17392 _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_