data_AVS_bmrb_pdb_report_10041 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 10041 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 10041 1 1 1 1 22 ARG Anomalous Consistent Consistent Anomalous Consistent Consistent . . 10041 1 1 1 1 48 TYR Anomalous Consistent Consistent Anomalous Consistent Consistent . . stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 10041 1 1 1 1 22 ARG C 176.459 . 176.49 2.16 9.8855e-01 10041 1 1 1 1 22 ARG CA 55.832 . 56.95 2.41 6.4272e-01 10041 1 1 1 1 22 ARG CB 29.679 . 30.66 1.77 5.7942e-01 10041 1 1 1 1 22 ARG CG 26.985 . 27.31 1.65 8.4385e-01 10041 1 1 1 1 22 ARG CD 43.644 . 43.1 1.1 6.2092e-01 10041 1 1 1 1 22 ARG H 8.924 . 8.24 0.6 2.5429e-01 10041 1 1 1 1 22 ARG HA 3.704 . 4.27 0.44 1.9832e-01 10041 1 1 1 1 22 ARG HB2 0.993 . 1.79 0.28 4.4213e-03 10041 1 1 1 1 22 ARG HB3 -0.416 M 1.78 0.28 4.4041e-15 10041 1 1 1 1 22 ARG HG2 0.113 S 1.58 0.27 5.5311e-08 10041 1 1 1 1 22 ARG HG3 1.143 . 1.58 0.27 1.0555e-01 10041 1 1 1 1 22 ARG HD2 2.740 . 3.13 0.23 8.9952e-02 10041 1 1 1 1 22 ARG HD3 2.902 . 3.13 0.22 3.0003e-01 10041 1 1 1 1 22 ARG N 132.730 . 120.61 3.9 1.8855e-03 10041 1 1 1 1 48 TYR C 174.998 . 175.39 1.89 8.3569e-01 10041 1 1 1 1 48 TYR CA 56.378 . 58.02 2.64 5.3396e-01 10041 1 1 1 1 48 TYR CB 37.493 . 39.16 2.23 4.5474e-01 10041 1 1 1 1 48 TYR CD1 132.162 . 132.54 1.35 7.7948e-01 10041 1 1 1 1 48 TYR CD2 132.162 . 132.26 1.99 9.6072e-01 10041 1 1 1 1 48 TYR CE1 117.153 . 117.81 2.09 7.5325e-01 10041 1 1 1 1 48 TYR CE2 117.153 . 117.91 2.6 7.7093e-01 10041 1 1 1 1 48 TYR H 8.705 . 8.37 0.75 6.5512e-01 10041 1 1 1 1 48 TYR HA 4.324 . 4.63 0.56 5.8477e-01 10041 1 1 1 1 48 TYR HB2 1.957 . 2.91 0.37 1.0004e-02 10041 1 1 1 1 48 TYR HB3 0.018 M 2.91 0.37 5.4435e-15 10041 1 1 1 1 48 TYR HD1 5.564 . 6.87 0.65 4.4513e-02 10041 1 1 1 1 48 TYR HD2 5.564 . 6.86 0.68 5.6666e-02 10041 1 1 1 1 48 TYR HE1 6.483 . 6.64 0.58 7.8663e-01 10041 1 1 1 1 48 TYR HE2 6.483 . 6.63 0.61 8.0957e-01 10041 1 1 1 1 48 TYR N 129.763 . 120.79 4.69 5.5720e-02 stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 10041 1 1 1 1 22 ARG ARG 0.43 10041 1 1 1 1 22 ARG CYS 0.33 10041 1 1 1 1 22 ARG GLY 0.1 10041 1 1 1 1 22 ARG LYS 0.06 10041 1 1 1 1 22 ARG LEU 0.04 10041 1 1 1 1 48 TYR TYR 0.52 10041 1 1 1 1 48 TYR CYS 0.46 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 10041 _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.Entry_ID _Vendor.Software_ID _Vendor.Name _Vendor.Address _Vendor.Electronic_address 10041 1 "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu stop_ loop_ _Task.Entry_ID _Task.Software_ID _Task.Task 10041 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 10041 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 10041 _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_