data_AVS_bmrb_pdb_report_6175 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6175 _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 6175 1 1 1 1 28 ARG Anomalous Consistent Suspicious Anomalous Consistent Consistent "HD3 > HB2" 0.9950 6175 1 1 1 1 28 ARG . . . . . . "HD3 > HB3" 0.9958 6175 1 1 1 1 28 ARG . . . . . . "HD3 > HG2" 0.9974 6175 1 1 1 1 30 ARG Anomalous Consistent Suspicious Anomalous Consistent Consistent "HD3 > HB2" 0.9950 6175 1 1 1 1 30 ARG . . . . . . "HD3 > HB3" 0.9958 6175 1 1 1 1 30 ARG . . . . . . "HD3 > HG2" 0.9974 6175 1 1 1 1 30 ARG . . . . . . "HD3 > HG3" 0.9982 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 6175 1 1 1 1 28 ARG C 173.491 . 176.49 2.16 1.6501e-01 6175 1 1 1 1 28 ARG CA 54.482 . 56.95 2.41 3.0580e-01 6175 1 1 1 1 28 ARG CB 32.551 . 30.66 1.77 2.8536e-01 6175 1 1 1 1 28 ARG CG 24.373 . 27.31 1.65 7.5076e-02 6175 1 1 1 1 28 ARG CD 42.684 . 43.1 1.1 7.0530e-01 6175 1 1 1 1 28 ARG H 8.481 . 8.24 0.6 6.8793e-01 6175 1 1 1 1 28 ARG HA 4.417 . 4.27 0.44 7.3831e-01 6175 1 1 1 1 28 ARG HB2 1.387 . 1.79 0.28 1.5007e-01 6175 1 1 1 1 28 ARG HB3 0.426 S 1.78 0.28 1.3267e-06 6175 1 1 1 1 28 ARG HG2 0.071 S 1.58 0.27 2.2853e-08 6175 1 1 1 1 28 ARG HG3 -0.223 S 1.58 0.27 2.4259e-11 6175 1 1 1 1 28 ARG HD2 1.692 S 3.13 0.23 4.0478e-10 6175 1 1 1 1 28 ARG HD3 0.001 M 3.13 0.22 6.6221e-46 6175 1 1 1 1 28 ARG HE 5.412 S 7.32 0.52 2.4328e-04 6175 1 1 1 1 28 ARG N 121.867 . 120.61 3.9 7.4722e-01 6175 1 1 1 1 28 ARG NE 112.413 . 89.8 12.83 7.7983e-02 6175 1 1 1 1 30 ARG C 172.939 . 176.49 2.16 1.0018e-01 6175 1 1 1 1 30 ARG CA 53.739 . 56.95 2.41 1.8274e-01 6175 1 1 1 1 30 ARG CB 31.797 . 30.66 1.77 5.2063e-01 6175 1 1 1 1 30 ARG CG 24.221 . 27.31 1.65 6.1190e-02 6175 1 1 1 1 30 ARG CD 41.311 . 43.1 1.1 1.0387e-01 6175 1 1 1 1 30 ARG H 9.024 . 8.24 0.6 1.9133e-01 6175 1 1 1 1 30 ARG HA 4.557 . 4.27 0.44 5.1423e-01 6175 1 1 1 1 30 ARG HB2 1.397 . 1.79 0.28 1.6045e-01 6175 1 1 1 1 30 ARG HB3 0.584 S 1.78 0.28 1.9422e-05 6175 1 1 1 1 30 ARG HG2 0.407 S 1.58 0.27 1.3963e-05 6175 1 1 1 1 30 ARG HG3 0.407 S 1.58 0.27 1.3963e-05 6175 1 1 1 1 30 ARG HD2 2.106 S 3.13 0.23 8.5005e-06 6175 1 1 1 1 30 ARG HD3 -0.491 M 3.13 0.22 7.2176e-61 6175 1 1 1 1 30 ARG HE 5.142 S 7.32 0.52 2.8085e-05 6175 1 1 1 1 30 ARG N 119.722 . 120.61 3.9 8.1989e-01 6175 1 1 1 1 30 ARG NE 112.995 . 89.8 12.83 7.0627e-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 6175 1 1 1 1 28 ARG LYS 0.41 6175 1 1 1 1 28 ARG CYS 0.39 6175 1 1 1 1 28 ARG ARG 0.14 6175 1 1 1 1 28 ARG GLY 0.03 6175 1 1 1 1 30 ARG LYS 0.49 6175 1 1 1 1 30 ARG CYS 0.42 6175 1 1 1 1 30 ARG ARG 0.06 6175 1 1 1 1 30 ARG ALA 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6175 _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 6175 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 6175 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6175 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6175 _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_