data_AVS_bmrb_pdb_report_16773 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16773 _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 1 110 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 16773 1 1 1 1 140 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 16773 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 1 110 ARG C 174.171 . 176.41 2.03 2.7005e-01 16773 1 1 1 1 110 ARG CA 58.000 . 56.77 2.31 5.9440e-01 16773 1 1 1 1 110 ARG CB 33.124 . 30.7 1.83 1.8531e-01 16773 1 1 1 1 110 ARG CD 43.809 . 43.16 0.88 4.6082e-01 16773 1 1 1 1 110 ARG H 6.582 . 8.24 0.61 6.5671e-03 16773 1 1 1 1 110 ARG HA 4.474 . 4.3 0.46 7.0524e-01 16773 1 1 1 1 110 ARG HB2 1.842 . 1.79 0.27 8.4728e-01 16773 1 1 1 1 110 ARG HB3 1.578 . 1.76 0.28 5.1569e-01 16773 1 1 1 1 110 ARG HG2 1.843 . 1.57 0.27 3.1196e-01 16773 1 1 1 1 110 ARG HG3 1.766 . 1.54 0.29 4.3580e-01 16773 1 1 1 1 110 ARG HD2 3.049 . 3.12 0.24 7.6736e-01 16773 1 1 1 1 110 ARG HD3 3.049 . 3.1 0.26 8.4449e-01 16773 1 1 1 1 110 ARG HE 6.443 . 7.4 0.63 1.2875e-01 16773 1 1 1 1 110 ARG N 122.376 . 120.8 3.68 6.6846e-01 16773 1 1 1 1 110 ARG NE 115.532 A 84.63 1.68 1.4661e-75 16773 1 1 1 1 140 ARG C 175.001 . 176.41 2.03 4.8763e-01 16773 1 1 1 1 140 ARG CA 54.911 . 56.77 2.31 4.2096e-01 16773 1 1 1 1 140 ARG CB 33.903 . 30.7 1.83 8.0071e-02 16773 1 1 1 1 140 ARG CG 27.410 . 27.21 1.2 8.6763e-01 16773 1 1 1 1 140 ARG CD 44.264 . 43.16 0.88 2.0964e-01 16773 1 1 1 1 140 ARG H 9.172 . 8.24 0.61 1.2654e-01 16773 1 1 1 1 140 ARG HA 5.131 . 4.3 0.46 7.0837e-02 16773 1 1 1 1 140 ARG HB2 1.643 . 1.79 0.27 5.8614e-01 16773 1 1 1 1 140 ARG HB3 1.538 . 1.76 0.28 4.2786e-01 16773 1 1 1 1 140 ARG HG2 1.300 . 1.57 0.27 3.1731e-01 16773 1 1 1 1 140 ARG HD2 2.939 . 3.12 0.24 4.5075e-01 16773 1 1 1 1 140 ARG HE 7.209 . 7.4 0.63 7.6176e-01 16773 1 1 1 1 140 ARG N 123.122 . 120.8 3.68 5.2805e-01 16773 1 1 1 1 140 ARG NE 117.073 A 84.63 1.68 4.3149e-83 16773 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 1 110 ARG CYS 0.54 16773 1 1 1 1 110 ARG ARG 0.25 16773 1 1 1 1 110 ARG GLY 0.13 16773 1 1 1 1 110 ARG LYS 0.06 16773 1 1 1 1 140 ARG CYS 0.45 16773 1 1 1 1 140 ARG GLY 0.32 16773 1 1 1 1 140 ARG ARG 0.2 16773 1 1 1 1 140 ARG LYS 0.01 16773 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16773 _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 16773 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16773 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16773 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16773 _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_