data_AVS_bmrb_pdb_report_19356 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 19356 _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 7 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 19356 1 1 1 1 59 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 19356 1 1 1 1 61 ARG Anomalous Consistent Consistent Consistent Suspicious Anomalous . . 19356 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 7 ARG C 175.850 . 176.41 2.03 7.8265e-01 19356 1 1 1 1 7 ARG CA 56.118 . 56.77 2.31 7.7775e-01 19356 1 1 1 1 7 ARG CB 30.964 . 30.7 1.83 8.8529e-01 19356 1 1 1 1 7 ARG CG 27.125 . 27.21 1.2 9.4353e-01 19356 1 1 1 1 7 ARG CD 43.493 . 43.16 0.88 7.0513e-01 19356 1 1 1 1 7 ARG CZ 159.613 . 159.97 2.95 9.0368e-01 19356 1 1 1 1 7 ARG H 8.050 . 8.24 0.61 7.5544e-01 19356 1 1 1 1 7 ARG HA 4.192 . 4.3 0.46 8.1438e-01 19356 1 1 1 1 7 ARG HB2 1.703 . 1.79 0.27 7.4728e-01 19356 1 1 1 1 7 ARG HB3 1.619 . 1.76 0.28 6.1456e-01 19356 1 1 1 1 7 ARG HG2 1.484 . 1.57 0.27 7.5009e-01 19356 1 1 1 1 7 ARG HG3 1.479 . 1.54 0.29 8.3340e-01 19356 1 1 1 1 7 ARG HD2 3.059 . 3.12 0.24 7.9937e-01 19356 1 1 1 1 7 ARG HD3 3.059 . 3.1 0.26 8.7470e-01 19356 1 1 1 1 7 ARG HE 6.993 . 7.4 0.63 5.1826e-01 19356 1 1 1 1 7 ARG N 122.202 . 120.8 3.68 7.0322e-01 19356 1 1 1 1 7 ARG NE 117.238 A 84.63 1.68 6.4119e-84 19356 1 1 1 1 59 ARG C 175.786 . 176.41 2.03 7.5855e-01 19356 1 1 1 1 59 ARG CA 54.140 . 56.77 2.31 2.5490e-01 19356 1 1 1 1 59 ARG CB 33.075 . 30.7 1.83 1.9435e-01 19356 1 1 1 1 59 ARG CG 26.797 . 27.21 1.2 7.3072e-01 19356 1 1 1 1 59 ARG CD 43.330 . 43.16 0.88 8.4682e-01 19356 1 1 1 1 59 ARG CZ 159.626 . 159.97 2.95 9.0717e-01 19356 1 1 1 1 59 ARG H 8.567 . 8.24 0.61 5.9191e-01 19356 1 1 1 1 59 ARG HA 4.585 . 4.3 0.46 5.3554e-01 19356 1 1 1 1 59 ARG HB2 1.559 . 1.79 0.27 3.9224e-01 19356 1 1 1 1 59 ARG HG2 1.440 . 1.57 0.27 6.3017e-01 19356 1 1 1 1 59 ARG HD2 3.019 . 3.12 0.24 6.7388e-01 19356 1 1 1 1 59 ARG HD3 2.945 . 3.1 0.26 5.5107e-01 19356 1 1 1 1 59 ARG HE 6.923 . 7.4 0.63 4.4896e-01 19356 1 1 1 1 59 ARG N 117.707 . 120.8 3.68 4.0063e-01 19356 1 1 1 1 59 ARG NE 117.304 A 84.63 1.68 2.9828e-84 19356 1 1 1 1 61 ARG C 174.338 . 176.41 2.03 3.0740e-01 19356 1 1 1 1 61 ARG CA 53.678 . 56.77 2.31 1.8072e-01 19356 1 1 1 1 61 ARG CB 38.014 S 30.7 1.83 6.4226e-05 19356 1 1 1 1 61 ARG CG 26.413 . 27.21 1.2 5.0658e-01 19356 1 1 1 1 61 ARG CD 43.464 . 43.16 0.88 7.2975e-01 19356 1 1 1 1 61 ARG CZ 159.626 . 159.97 2.95 9.0717e-01 19356 1 1 1 1 61 ARG H 9.003 . 8.24 0.61 2.1100e-01 19356 1 1 1 1 61 ARG HA 4.607 . 4.3 0.46 5.0452e-01 19356 1 1 1 1 61 ARG HB2 1.637 . 1.79 0.27 5.7094e-01 19356 1 1 1 1 61 ARG HG2 1.306 . 1.57 0.27 3.2818e-01 19356 1 1 1 1 61 ARG HD2 2.905 . 3.12 0.24 3.7034e-01 19356 1 1 1 1 61 ARG HD3 2.761 . 3.1 0.26 1.9229e-01 19356 1 1 1 1 61 ARG HE 6.822 . 7.4 0.63 3.5890e-01 19356 1 1 1 1 61 ARG HH11 6.601 . 6.91 0.46 5.0175e-01 19356 1 1 1 1 61 ARG HH21 6.605 . 6.81 0.48 6.6932e-01 19356 1 1 1 1 61 ARG N 122.338 . 120.8 3.68 6.7599e-01 19356 1 1 1 1 61 ARG NE 116.195 A 84.63 1.68 9.3457e-79 19356 1 1 1 1 61 ARG NH1 73.296 . 73.82 4.62 9.0970e-01 19356 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 7 ARG ARG 0.51 19356 1 1 1 1 7 ARG CYS 0.4 19356 1 1 1 1 7 ARG GLY 0.08 19356 1 1 1 1 59 ARG ARG 0.53 19356 1 1 1 1 59 ARG CYS 0.36 19356 1 1 1 1 59 ARG GLY 0.1 19356 1 1 1 1 61 ARG CYS 0.6 19356 1 1 1 1 61 ARG GLY 0.38 19356 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 19356 _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 19356 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 19356 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 19356 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 19356 _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_