data_AVS_bmrb_pdb_report_4848 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 4848 _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 4848 1 1 1 1 134 ARG Anomalous Consistent Consistent Consistent Anomalous Consistent . . 4848 1 1 1 1 209 LYS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 4848 1 1 1 1 234 PRO Anomalous Consistent Consistent Consistent Anomalous Indeterminable . . 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 4848 1 1 1 1 134 ARG C 181.74 M 176.49 2.16 1.5076e-02 4848 1 1 1 1 134 ARG CA 59.04 . 56.95 2.41 3.8582e-01 4848 1 1 1 1 134 ARG CB 30.62 . 30.66 1.77 9.8197e-01 4848 1 1 1 1 134 ARG CG 27.20 . 27.31 1.65 9.4685e-01 4848 1 1 1 1 134 ARG CD 44.51 . 43.1 1.1 1.9991e-01 4848 1 1 1 1 134 ARG H 8.93 . 8.24 0.6 2.5014e-01 4848 1 1 1 1 134 ARG HA 4.59 . 4.27 0.44 4.6706e-01 4848 1 1 1 1 134 ARG HB2 1.89 . 1.79 0.28 7.2098e-01 4848 1 1 1 1 134 ARG HB3 1.89 . 1.78 0.28 6.9442e-01 4848 1 1 1 1 134 ARG HG2 1.60 . 1.58 0.27 9.4095e-01 4848 1 1 1 1 134 ARG HG3 1.71 . 1.58 0.27 6.3017e-01 4848 1 1 1 1 134 ARG HD2 2.70 . 3.13 0.23 6.1544e-02 4848 1 1 1 1 134 ARG HD3 2.70 . 3.13 0.22 5.0637e-02 4848 1 1 1 1 134 ARG N 119.04 . 120.61 3.9 6.8727e-01 4848 1 1 1 1 209 LYS C 181.79 M 176.46 2.05 9.3224e-03 4848 1 1 1 1 209 LYS CA 59.39 . 56.84 2.25 2.5707e-01 4848 1 1 1 1 209 LYS CB 31.73 . 32.83 1.88 5.5848e-01 4848 1 1 1 1 209 LYS CG 24.52 . 24.91 1.31 7.6592e-01 4848 1 1 1 1 209 LYS CD 29.02 . 28.78 1.39 8.6292e-01 4848 1 1 1 1 209 LYS CE 41.86 . 41.78 0.98 9.3494e-01 4848 1 1 1 1 209 LYS H 8.08 . 8.22 0.64 8.2684e-01 4848 1 1 1 1 209 LYS HA 4.20 . 4.28 0.45 8.5890e-01 4848 1 1 1 1 209 LYS HB2 2.06 . 1.79 0.25 2.8014e-01 4848 1 1 1 1 209 LYS HB3 2.15 . 1.78 0.26 1.5471e-01 4848 1 1 1 1 209 LYS HG2 1.53 . 1.38 0.27 5.7851e-01 4848 1 1 1 1 209 LYS HG3 1.53 . 1.37 0.29 5.8114e-01 4848 1 1 1 1 209 LYS HD2 1.77 . 1.61 0.25 5.2217e-01 4848 1 1 1 1 209 LYS HD3 1.77 . 1.61 0.25 5.2217e-01 4848 1 1 1 1 209 LYS HE2 3.03 . 2.93 0.2 6.1707e-01 4848 1 1 1 1 209 LYS HE3 3.03 . 2.93 0.2 6.1707e-01 4848 1 1 1 1 209 LYS N 119.79 . 121.16 4.11 7.3888e-01 4848 1 1 1 1 234 PRO CA 70.67 M 63.3 1.64 6.9930e-06 4848 1 1 1 1 234 PRO CB 31.33 . 31.81 1.54 7.5528e-01 4848 1 1 1 1 234 PRO CG 25.31 . 27.14 1.18 1.2094e-01 4848 1 1 1 1 234 PRO CD 50.53 . 50.28 1.04 8.1003e-01 4848 1 1 1 1 234 PRO HA 4.73 . 4.41 0.36 3.7406e-01 4848 1 1 1 1 234 PRO HB2 1.90 . 2.05 0.39 7.0052e-01 4848 1 1 1 1 234 PRO HB3 2.24 . 2.05 0.39 6.2613e-01 4848 1 1 1 1 234 PRO HG2 2.06 . 1.93 0.36 7.1802e-01 4848 1 1 1 1 234 PRO HG3 2.06 . 1.92 0.37 7.0515e-01 4848 1 1 1 1 234 PRO HD2 3.69 . 3.64 0.36 8.8954e-01 4848 1 1 1 1 234 PRO HD3 3.69 . 3.63 0.4 8.8076e-01 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 4848 1 1 1 1 134 ARG CYS 0.38 4848 1 1 1 1 134 ARG ARG 0.32 4848 1 1 1 1 134 ARG GLY 0.27 4848 1 1 1 1 134 ARG LYS 0.01 4848 1 1 1 1 209 LYS LYS 0.4 4848 1 1 1 1 209 LYS CYS 0.36 4848 1 1 1 1 209 LYS ARG 0.2 4848 1 1 1 1 209 LYS MET 0.02 4848 1 1 1 1 234 PRO CYS 0.98 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 4848 _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 4848 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 4848 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 4848 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 4848 _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_