data_AVS_bmrb_pdb_report_19421 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 19421 _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 53 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 19421 1 1 1 2 1 SER Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 19421 1 1 1 2 5 MOZ UNSUPPORTED . . . . . . . 19421 1 1 1 2 9 MOZ UNSUPPORTED . . . . . . . 19421 1 1 1 2 11 DHA UNSUPPORTED . . . . . . . 19421 1 1 1 2 92 BB UNSUPPORTED . . . . . . . 19421 1 1 1 2 97 BB UNSUPPORTED . . . . . . . 19421 1 1 1 2 212 NH UNSUPPORTED . . . . . . . 19421 1 1 1 2 710 MH UNSUPPORTED . . . . . . . 19421 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 53 ARG C 178.447 . 176.41 2.03 3.1564e-01 19421 1 1 1 1 53 ARG CA 59.725 . 56.77 2.31 2.0082e-01 19421 1 1 1 1 53 ARG CB 28.898 . 30.7 1.83 3.2477e-01 19421 1 1 1 1 53 ARG CG 27.708 . 27.21 1.2 6.7814e-01 19421 1 1 1 1 53 ARG CD 42.492 . 43.16 0.88 4.4780e-01 19421 1 1 1 1 53 ARG H 7.662 . 8.24 0.61 3.4336e-01 19421 1 1 1 1 53 ARG HA 4.050 . 4.3 0.46 5.8680e-01 19421 1 1 1 1 53 ARG HB2 1.777 . 1.79 0.27 9.6160e-01 19421 1 1 1 1 53 ARG HB3 2.033 . 1.76 0.28 3.2956e-01 19421 1 1 1 1 53 ARG HG2 1.310 . 1.57 0.27 3.3557e-01 19421 1 1 1 1 53 ARG HG3 1.597 . 1.54 0.29 8.4418e-01 19421 1 1 1 1 53 ARG HD2 3.084 . 3.12 0.24 8.8076e-01 19421 1 1 1 1 53 ARG HD3 3.176 . 3.1 0.26 7.7005e-01 19421 1 1 1 1 53 ARG HH11 7.572 . 6.91 0.46 1.5011e-01 19421 1 1 1 1 53 ARG HH12 7.219 . 6.8 0.33 2.0419e-01 19421 1 1 1 1 53 ARG N 120.833 . 120.8 3.68 9.9285e-01 19421 1 1 1 1 53 ARG NH2 69.773 A 73.26 3.32 2.9358e-01 19421 1 1 1 2 1 SER HB2 7.770 A 3.88 0.25 1.3610e-54 19421 1 1 1 2 1 SER HB3 7.770 A 3.85 0.27 9.2488e-48 19421 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 53 ARG CYS 0.54 19421 1 1 1 1 53 ARG ARG 0.35 19421 1 1 1 1 53 ARG LYS 0.05 19421 1 1 1 1 53 ARG GLY 0.02 19421 1 1 1 1 53 ARG LEU 0.01 19421 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 19421 _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 19421 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 19421 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 19421 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 19421 _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_