data_AVS_bmrb_pdb_report_16822 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16822 _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 Suspicious Anomalous Consistent Consistent "HD2 > HB2" 0.9950 16822 1 1 1 1 53 ARG . . . . . . "HD2 > HB3" 0.9951 16822 1 1 1 1 92 GLU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 16822 1 1 1 2 1 NAP UNSUPPORTED . . . . . . . 16822 1 1 1 3 221 ASN UNSUPPORTED . . . . . . . 16822 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 CA 53.525 . 56.95 2.41 1.5527e-01 16822 1 1 1 1 53 ARG CB 30.737 . 30.66 1.77 9.6530e-01 16822 1 1 1 1 53 ARG CD 41.700 . 43.1 1.1 2.0311e-01 16822 1 1 1 1 53 ARG H 8.291 . 8.24 0.6 9.3226e-01 16822 1 1 1 1 53 ARG HA 5.322 . 4.27 0.44 1.6807e-02 16822 1 1 1 1 53 ARG HB2 3.597 A 1.79 0.28 1.0924e-10 16822 1 1 1 1 53 ARG HB3 3.182 S 1.78 0.28 5.5244e-07 16822 1 1 1 1 53 ARG HD2 3.109 . 3.13 0.23 9.2725e-01 16822 1 1 1 1 53 ARG HD3 4.221 S 3.13 0.22 7.0824e-07 16822 1 1 1 1 53 ARG N 118.793 . 120.61 3.9 6.4129e-01 16822 1 1 1 1 92 GLU C 174.214 . 176.93 2.11 1.9802e-01 16822 1 1 1 1 92 GLU CA 55.600 . 57.42 2.19 4.0595e-01 16822 1 1 1 1 92 GLU CB 32.397 . 30.07 1.84 2.0599e-01 16822 1 1 1 1 92 GLU CG 33.800 . 36.01 1.51 1.4331e-01 16822 1 1 1 1 92 GLU H 8.011 . 8.34 0.61 5.8965e-01 16822 1 1 1 1 92 GLU HA 5.025 . 4.26 0.43 7.5228e-02 16822 1 1 1 1 92 GLU HG2 1.800 . 2.31 0.21 1.5158e-02 16822 1 1 1 1 92 GLU HG3 0.949 A 2.31 0.21 9.1145e-11 16822 1 1 1 1 92 GLU N 120.599 . 120.68 3.68 9.8244e-01 16822 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 0.4 16822 1 1 1 1 53 ARG LYS 0.29 16822 1 1 1 1 53 ARG ARG 0.27 16822 1 1 1 1 92 GLU MET 0.38 16822 1 1 1 1 92 GLU CYS 0.34 16822 1 1 1 1 92 GLU GLN 0.15 16822 1 1 1 1 92 GLU GLU 0.08 16822 1 1 1 1 92 GLU LYS 0.02 16822 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16822 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 1.4 _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 16822 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16822 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16822 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16822 _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_