data_AVS_bmrb_pdb_report_30669 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 30669 _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 2 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 30669 1 1 1 1 10 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 30669 1 1 1 1 11 ALA Anomalous Consistent Consistent Anomalous Suspicious Consistent . . 30669 1 1 1 2 1 WMH UNSUPPORTED . . . . . . . 30669 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 2 ARG CA 54.519 . 56.77 2.31 3.2983e-01 30669 1 1 1 1 2 ARG CB 28.269 . 30.7 1.83 1.8404e-01 30669 1 1 1 1 2 ARG CG 25.393 . 27.21 1.2 1.2998e-01 30669 1 1 1 1 2 ARG CD 40.660 . 43.16 0.88 4.4985e-03 30669 1 1 1 1 2 ARG H 7.935 . 8.24 0.61 6.1707e-01 30669 1 1 1 1 2 ARG HA 4.386 . 4.3 0.46 8.5169e-01 30669 1 1 1 1 2 ARG HB2 1.860 . 1.79 0.27 7.9544e-01 30669 1 1 1 1 2 ARG HB3 2.019 . 1.76 0.28 3.5497e-01 30669 1 1 1 1 2 ARG HG2 1.621 . 1.57 0.27 8.5018e-01 30669 1 1 1 1 2 ARG HG3 1.621 . 1.54 0.29 7.8001e-01 30669 1 1 1 1 2 ARG HD2 3.163 . 3.12 0.24 8.5781e-01 30669 1 1 1 1 2 ARG HD3 3.162 . 3.1 0.26 8.1152e-01 30669 1 1 1 1 2 ARG HE 7.679 . 7.4 0.63 6.5787e-01 30669 1 1 1 1 2 ARG N 121.724 . 120.8 3.68 8.0175e-01 30669 1 1 1 1 2 ARG NE 125.302 A 84.63 1.68 0.0000e+00 30669 1 1 1 1 10 ARG CA 51.285 . 56.77 2.31 1.7575e-02 30669 1 1 1 1 10 ARG CB 29.716 . 30.7 1.83 5.9078e-01 30669 1 1 1 1 10 ARG CG 24.278 . 27.21 1.2 1.4552e-02 30669 1 1 1 1 10 ARG CD 40.527 . 43.16 0.88 2.7711e-03 30669 1 1 1 1 10 ARG H 7.304 . 8.24 0.61 1.2492e-01 30669 1 1 1 1 10 ARG HA 4.315 . 4.3 0.46 9.7399e-01 30669 1 1 1 1 10 ARG HB2 1.457 . 1.79 0.27 2.1745e-01 30669 1 1 1 1 10 ARG HB3 1.457 . 1.76 0.28 2.7919e-01 30669 1 1 1 1 10 ARG HG2 1.254 . 1.57 0.27 2.4185e-01 30669 1 1 1 1 10 ARG HG3 1.372 . 1.54 0.29 5.6238e-01 30669 1 1 1 1 10 ARG HD2 3.030 . 3.12 0.24 7.0766e-01 30669 1 1 1 1 10 ARG HD3 3.030 . 3.1 0.26 7.8775e-01 30669 1 1 1 1 10 ARG HE 6.971 . 7.4 0.63 4.9590e-01 30669 1 1 1 1 10 ARG N 119.221 . 120.8 3.68 6.6787e-01 30669 1 1 1 1 10 ARG NE 124.894 A 84.63 1.68 0.0000e+00 30669 1 1 1 1 11 ALA CA 50.886 . 53.14 1.98 2.5496e-01 30669 1 1 1 1 11 ALA CB 25.800 S 19.01 1.83 2.0695e-04 30669 1 1 1 1 11 ALA H 8.599 . 8.2 0.6 5.0605e-01 30669 1 1 1 1 11 ALA HA 5.414 . 4.26 0.44 8.7229e-03 30669 1 1 1 1 11 ALA HB1 2.973 S 1.35 0.26 4.3116e-10 30669 1 1 1 1 11 ALA HB2 3.160 A 1.35 0.26 3.3658e-12 30669 1 1 1 1 11 ALA HB3 3.160 A 1.35 0.26 3.3658e-12 30669 1 1 1 1 11 ALA N 118.043 . 123.23 3.54 1.4285e-01 30669 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 2 ARG LYS 0.96 30669 1 1 1 1 2 ARG ARG 0.02 30669 1 1 1 1 10 ARG LYS 0.77 30669 1 1 1 1 10 ARG ALA 0.21 30669 1 1 1 1 11 ALA PRO 0.89 30669 1 1 1 1 11 ALA ARG 0.04 30669 1 1 1 1 11 ALA LYS 0.03 30669 1 1 1 1 11 ALA HIS 0.01 30669 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 30669 _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 30669 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 30669 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 30669 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 30669 _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_