data_AVS_bmrb_pdb_report_19124 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 19124 _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 4 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 19124 1 1 1 1 7 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 19124 1 1 1 1 11 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 19124 1 1 1 1 26 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 19124 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 4 ARG CA 58.945 . 56.77 2.31 3.4642e-01 19124 1 1 1 1 4 ARG CB 29.658 . 30.7 1.83 5.6909e-01 19124 1 1 1 1 4 ARG CG 26.741 . 27.21 1.2 6.9592e-01 19124 1 1 1 1 4 ARG CD 42.750 . 43.16 0.88 6.4128e-01 19124 1 1 1 1 4 ARG H 8.524 . 8.24 0.61 6.4152e-01 19124 1 1 1 1 4 ARG HA 4.043 . 4.3 0.46 5.7637e-01 19124 1 1 1 1 4 ARG HB2 1.877 . 1.79 0.27 7.4728e-01 19124 1 1 1 1 4 ARG HB3 1.982 . 1.76 0.28 4.2786e-01 19124 1 1 1 1 4 ARG HG2 1.635 . 1.57 0.27 8.0976e-01 19124 1 1 1 1 4 ARG HG3 1.726 . 1.54 0.29 5.2128e-01 19124 1 1 1 1 4 ARG HD2 3.228 . 3.12 0.24 6.5271e-01 19124 1 1 1 1 4 ARG HD3 3.228 . 3.1 0.26 6.2250e-01 19124 1 1 1 1 4 ARG HE 7.488 . 7.4 0.63 8.8891e-01 19124 1 1 1 1 4 ARG N 121.446 . 120.8 3.68 8.6065e-01 19124 1 1 1 1 4 ARG NE 107.440 A 84.63 1.68 5.4542e-42 19124 1 1 1 1 7 ARG CA 56.178 . 56.77 2.31 7.9774e-01 19124 1 1 1 1 7 ARG CB 29.463 . 30.7 1.83 4.9907e-01 19124 1 1 1 1 7 ARG CG 27.193 . 27.21 1.2 9.8870e-01 19124 1 1 1 1 7 ARG CD 42.727 . 43.16 0.88 6.2269e-01 19124 1 1 1 1 7 ARG H 8.073 . 8.24 0.61 7.8426e-01 19124 1 1 1 1 7 ARG HA 4.131 . 4.3 0.46 7.1333e-01 19124 1 1 1 1 7 ARG HB2 1.926 . 1.79 0.27 6.1447e-01 19124 1 1 1 1 7 ARG HB3 1.985 . 1.76 0.28 4.2164e-01 19124 1 1 1 1 7 ARG HG2 1.821 . 1.57 0.27 3.5256e-01 19124 1 1 1 1 7 ARG HG3 1.706 . 1.54 0.29 5.6704e-01 19124 1 1 1 1 7 ARG HD2 3.286 . 3.12 0.24 4.8915e-01 19124 1 1 1 1 7 ARG HD3 3.247 . 3.1 0.26 5.7181e-01 19124 1 1 1 1 7 ARG HE 7.432 . 7.4 0.63 9.5949e-01 19124 1 1 1 1 7 ARG N 117.167 . 120.8 3.68 3.2353e-01 19124 1 1 1 1 7 ARG NE 107.824 A 84.63 1.68 2.3465e-43 19124 1 1 1 1 11 ARG CA 58.646 . 56.77 2.31 4.1672e-01 19124 1 1 1 1 11 ARG CB 28.634 . 30.7 1.83 2.5891e-01 19124 1 1 1 1 11 ARG CG 25.043 . 27.21 1.2 7.0945e-02 19124 1 1 1 1 11 ARG CD 42.769 . 43.16 0.88 6.5681e-01 19124 1 1 1 1 11 ARG H 7.679 . 8.24 0.61 3.5774e-01 19124 1 1 1 1 11 ARG HA 4.125 . 4.3 0.46 7.0362e-01 19124 1 1 1 1 11 ARG HB2 1.636 . 1.79 0.27 5.6843e-01 19124 1 1 1 1 11 ARG HB3 1.727 . 1.76 0.28 9.0618e-01 19124 1 1 1 1 11 ARG HG2 1.310 . 1.57 0.27 3.3557e-01 19124 1 1 1 1 11 ARG HG3 0.658 . 1.54 0.29 2.3550e-03 19124 1 1 1 1 11 ARG HD2 3.032 . 3.12 0.24 7.1387e-01 19124 1 1 1 1 11 ARG HD3 3.032 . 3.1 0.26 7.9368e-01 19124 1 1 1 1 11 ARG HE 6.946 . 7.4 0.63 4.7113e-01 19124 1 1 1 1 11 ARG N 114.823 . 120.8 3.68 1.0434e-01 19124 1 1 1 1 11 ARG NE 107.640 A 84.63 1.68 1.0664e-42 19124 1 1 1 1 26 ARG CA 56.637 . 56.77 2.31 9.5409e-01 19124 1 1 1 1 26 ARG CB 30.129 . 30.7 1.83 7.5502e-01 19124 1 1 1 1 26 ARG CG 26.610 . 27.21 1.2 6.1707e-01 19124 1 1 1 1 26 ARG CD 42.727 . 43.16 0.88 6.2269e-01 19124 1 1 1 1 26 ARG H 8.298 . 8.24 0.61 9.2425e-01 19124 1 1 1 1 26 ARG HA 4.290 . 4.3 0.46 9.8266e-01 19124 1 1 1 1 26 ARG HB2 1.681 . 1.79 0.27 6.8643e-01 19124 1 1 1 1 26 ARG HB3 1.740 . 1.76 0.28 9.4306e-01 19124 1 1 1 1 26 ARG HG2 1.514 . 1.57 0.27 8.3569e-01 19124 1 1 1 1 26 ARG HG3 1.566 . 1.54 0.29 9.2856e-01 19124 1 1 1 1 26 ARG HD2 3.174 . 3.12 0.24 8.2198e-01 19124 1 1 1 1 26 ARG HD3 3.174 . 3.1 0.26 7.7594e-01 19124 1 1 1 1 26 ARG HE 7.282 . 7.4 0.63 8.5142e-01 19124 1 1 1 1 26 ARG N 121.480 . 120.8 3.68 8.5340e-01 19124 1 1 1 1 26 ARG NE 108.044 A 84.63 1.68 3.7798e-44 19124 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 4 ARG CYS 0.43 19124 1 1 1 1 4 ARG ARG 0.4 19124 1 1 1 1 4 ARG LYS 0.14 19124 1 1 1 1 4 ARG GLY 0.02 19124 1 1 1 1 7 ARG ARG 0.48 19124 1 1 1 1 7 ARG CYS 0.36 19124 1 1 1 1 7 ARG LYS 0.12 19124 1 1 1 1 7 ARG GLY 0.02 19124 1 1 1 1 11 ARG CYS 0.43 19124 1 1 1 1 11 ARG LYS 0.4 19124 1 1 1 1 11 ARG ARG 0.13 19124 1 1 1 1 11 ARG GLY 0.02 19124 1 1 1 1 26 ARG ARG 0.44 19124 1 1 1 1 26 ARG CYS 0.37 19124 1 1 1 1 26 ARG LYS 0.15 19124 1 1 1 1 26 ARG GLY 0.02 19124 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 19124 _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 19124 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 19124 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 19124 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 19124 _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_