data_AVS_bmrb_pdb_report_34307 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 34307 _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 28 ARG Anomalous Consistent Consistent Anomalous Consistent Consistent . . 34307 1 1 1 1 46 LYS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 34307 1 1 1 1 108 ALA Anomalous Consistent Consistent Anomalous Consistent Consistent . . 34307 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 28 ARG C 174.824 . 176.41 2.03 4.3464e-01 34307 1 1 1 1 28 ARG CA 53.749 . 56.77 2.31 1.9094e-01 34307 1 1 1 1 28 ARG CB 34.459 . 30.7 1.83 3.9966e-02 34307 1 1 1 1 28 ARG CG 28.267 . 27.21 1.2 3.7841e-01 34307 1 1 1 1 28 ARG CD 43.534 . 43.16 0.88 6.7084e-01 34307 1 1 1 1 28 ARG H 7.757 . 8.24 0.61 4.2848e-01 34307 1 1 1 1 28 ARG HA 4.950 . 4.3 0.46 1.5764e-01 34307 1 1 1 1 28 ARG HB2 1.063 . 1.79 0.27 7.0899e-03 34307 1 1 1 1 28 ARG HB3 1.438 . 1.76 0.28 2.5014e-01 34307 1 1 1 1 28 ARG HG2 1.221 . 1.57 0.27 1.9615e-01 34307 1 1 1 1 28 ARG HG3 1.464 . 1.54 0.29 7.9327e-01 34307 1 1 1 1 28 ARG HD2 2.507 . 3.12 0.24 1.0644e-02 34307 1 1 1 1 28 ARG HD3 2.597 . 3.1 0.26 5.3038e-02 34307 1 1 1 1 28 ARG HE 7.873 . 7.4 0.63 4.5278e-01 34307 1 1 1 1 28 ARG HH11 7.545 . 6.91 0.46 1.6745e-01 34307 1 1 1 1 28 ARG HH12 10.246 A 6.8 0.33 1.5871e-25 34307 1 1 1 1 28 ARG N 118.492 . 120.8 3.68 5.3055e-01 34307 1 1 1 1 28 ARG NE 84.073 . 84.63 1.68 7.4023e-01 34307 1 1 1 1 28 ARG NH1 77.214 . 73.82 4.62 4.6256e-01 34307 1 1 1 1 46 LYS C 175.197 . 176.64 2 4.7060e-01 34307 1 1 1 1 46 LYS CA 56.776 . 56.95 2.2 9.3696e-01 34307 1 1 1 1 46 LYS CB 29.580 . 32.79 1.78 7.1330e-02 34307 1 1 1 1 46 LYS CG 24.595 . 24.89 1.13 7.9404e-01 34307 1 1 1 1 46 LYS CD 29.706 . 28.96 1.08 4.8973e-01 34307 1 1 1 1 46 LYS CE 42.522 . 41.89 0.82 4.4087e-01 34307 1 1 1 1 46 LYS H 8.933 . 8.19 0.6 2.1559e-01 34307 1 1 1 1 46 LYS HA 3.954 . 4.27 0.44 4.7265e-01 34307 1 1 1 1 46 LYS HB2 1.265 . 1.78 0.25 3.9399e-02 34307 1 1 1 1 46 LYS HB3 1.325 . 1.74 0.27 1.2428e-01 34307 1 1 1 1 46 LYS HG2 0.937 . 1.37 0.26 9.5836e-02 34307 1 1 1 1 46 LYS HG3 1.312 . 1.35 0.28 8.9205e-01 34307 1 1 1 1 46 LYS HD2 -0.684 A 1.61 0.22 1.8615e-25 34307 1 1 1 1 46 LYS HD3 1.077 . 1.6 0.22 1.7441e-02 34307 1 1 1 1 46 LYS HE2 2.928 . 2.92 0.19 9.6641e-01 34307 1 1 1 1 46 LYS HE3 2.928 . 2.91 0.2 9.2829e-01 34307 1 1 1 1 46 LYS N 124.558 . 121.05 3.77 3.5211e-01 34307 1 1 1 1 108 ALA C 177.493 . 177.74 2.13 9.0768e-01 34307 1 1 1 1 108 ALA CA 49.175 . 53.14 1.98 4.5228e-02 34307 1 1 1 1 108 ALA CB 22.673 . 19.01 1.83 4.5324e-02 34307 1 1 1 1 108 ALA H 9.242 . 8.2 0.6 8.2446e-02 34307 1 1 1 1 108 ALA HA 6.569 A 4.26 0.44 1.5399e-07 34307 1 1 1 1 108 ALA HB1 1.671 . 1.35 0.26 2.1697e-01 34307 1 1 1 1 108 ALA HB2 1.671 . 1.35 0.26 2.1697e-01 34307 1 1 1 1 108 ALA HB3 1.671 . 1.35 0.26 2.1697e-01 34307 1 1 1 1 108 ALA N 128.667 . 123.23 3.54 1.2457e-01 34307 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 28 ARG CYS 0.46 34307 1 1 1 1 28 ARG GLY 0.21 34307 1 1 1 1 28 ARG ARG 0.17 34307 1 1 1 1 28 ARG LYS 0.14 34307 1 1 1 1 46 LYS CYS 0.48 34307 1 1 1 1 46 LYS LYS 0.29 34307 1 1 1 1 46 LYS ARG 0.19 34307 1 1 1 1 46 LYS GLY 0.02 34307 1 1 1 1 108 ALA ALA 0.49 34307 1 1 1 1 108 ALA LEU 0.2 34307 1 1 1 1 108 ALA CYS 0.16 34307 1 1 1 1 108 ALA GLY 0.11 34307 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 34307 _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 34307 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 34307 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 34307 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 34307 _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_