data_AVS_bmrb_pdb_report_15558 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15558 _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 1 128 HIS Anomalous Consistent Consistent Consistent Consistent Anomalous . . 15558 1 1 1 1 140 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 15558 1 1 1 1 152 ARG Anomalous Consistent Consistent Suspicious Consistent Anomalous . . 15558 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 1 128 HIS C 174.000 . 175.25 1.97 5.2574e-01 15558 1 1 1 1 128 HIS CA 52.281 . 56.52 2.31 6.6496e-02 15558 1 1 1 1 128 HIS CB 29.690 . 30.24 2.07 7.9047e-01 15558 1 1 1 1 128 HIS H 9.011 . 8.24 0.68 2.5687e-01 15558 1 1 1 1 128 HIS HA 4.509 . 4.61 0.43 8.1430e-01 15558 1 1 1 1 128 HIS HB2 2.643 . 3.1 0.36 2.0428e-01 15558 1 1 1 1 128 HIS HB3 2.980 . 3.04 0.38 8.7454e-01 15558 1 1 1 1 128 HIS HD1 6.658 . 8.68 2.62 4.4026e-01 15558 1 1 1 1 128 HIS N 122.914 . 119.69 4 4.2024e-01 15558 1 1 1 1 128 HIS ND1 122.900 A 195.02 18.51 9.7685e-05 15558 1 1 1 1 140 ARG C 169.900 . 176.41 2.03 1.3418e-03 15558 1 1 1 1 140 ARG CB 29.440 . 30.7 1.83 4.9112e-01 15558 1 1 1 1 140 ARG CG 24.880 . 27.21 1.2 5.2178e-02 15558 1 1 1 1 140 ARG CD 40.530 . 43.16 0.88 2.8023e-03 15558 1 1 1 1 140 ARG H 7.585 . 8.24 0.61 2.8293e-01 15558 1 1 1 1 140 ARG HA 4.725 . 4.3 0.46 3.5553e-01 15558 1 1 1 1 140 ARG HB2 1.420 . 1.79 0.27 1.7057e-01 15558 1 1 1 1 140 ARG HB3 1.420 . 1.76 0.28 2.2464e-01 15558 1 1 1 1 140 ARG HG2 1.140 . 1.57 0.27 1.1125e-01 15558 1 1 1 1 140 ARG HG3 1.140 . 1.54 0.29 1.6780e-01 15558 1 1 1 1 140 ARG HD2 2.808 . 3.12 0.24 1.9360e-01 15558 1 1 1 1 140 ARG HD3 2.808 . 3.1 0.26 2.6140e-01 15558 1 1 1 1 140 ARG HE 8.367 . 7.4 0.63 1.2480e-01 15558 1 1 1 1 140 ARG N 118.469 . 120.8 3.68 5.2646e-01 15558 1 1 1 1 140 ARG NE 126.808 A 84.63 1.68 0.0000e+00 15558 1 1 1 1 152 ARG C 170.500 . 176.41 2.03 3.5989e-03 15558 1 1 1 1 152 ARG CA 52.088 . 56.77 2.31 4.2679e-02 15558 1 1 1 1 152 ARG CB 32.910 . 30.7 1.83 2.2718e-01 15558 1 1 1 1 152 ARG CG 25.620 . 27.21 1.2 1.8517e-01 15558 1 1 1 1 152 ARG CD 40.270 . 43.16 0.88 1.0231e-03 15558 1 1 1 1 152 ARG H 8.860 . 8.24 0.61 3.0944e-01 15558 1 1 1 1 152 ARG HA 4.284 . 4.3 0.46 9.7225e-01 15558 1 1 1 1 152 ARG HB2 0.852 S 1.79 0.27 5.1262e-04 15558 1 1 1 1 152 ARG HB3 1.054 . 1.76 0.28 1.1688e-02 15558 1 1 1 1 152 ARG HD2 2.852 . 3.12 0.24 2.6414e-01 15558 1 1 1 1 152 ARG HE 6.447 . 7.4 0.63 1.3036e-01 15558 1 1 1 1 152 ARG N 120.350 . 120.8 3.68 9.0268e-01 15558 1 1 1 1 152 ARG NE 124.900 A 84.63 1.68 0.0000e+00 15558 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 1 128 HIS HIS 0.18 15558 1 1 1 1 128 HIS CYS 0.17 15558 1 1 1 1 128 HIS ARG 0.13 15558 1 1 1 1 128 HIS GLN 0.13 15558 1 1 1 1 128 HIS TRP 0.11 15558 1 1 1 1 128 HIS LYS 0.08 15558 1 1 1 1 128 HIS MET 0.07 15558 1 1 1 1 128 HIS GLU 0.05 15558 1 1 1 1 128 HIS PRO 0.02 15558 1 1 1 1 140 ARG LYS 0.82 15558 1 1 1 1 140 ARG LEU 0.16 15558 1 1 1 1 152 ARG CYS 0.74 15558 1 1 1 1 152 ARG LYS 0.23 15558 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15558 _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 15558 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 15558 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 15558 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15558 _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_