data_AVS_bmrb_pdb_report_6014 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6014 _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 6014 1 1 1 1 33 ARG Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6014 1 1 1 1 35 VAL Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6014 1 1 1 1 75 PHE Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6014 1 1 1 1 119 THR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6014 1 1 1 1 124 HIS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 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 6014 1 1 1 1 33 ARG C 182.89 M 176.49 2.16 3.0469e-03 6014 1 1 1 1 33 ARG CA 60.08 . 56.95 2.41 1.9403e-01 6014 1 1 1 1 33 ARG CB 31.1 . 30.66 1.77 8.0368e-01 6014 1 1 1 1 33 ARG H 8.47 . 8.24 0.6 7.0147e-01 6014 1 1 1 1 33 ARG HA 4.26 . 4.27 0.44 9.8187e-01 6014 1 1 1 1 33 ARG N 120.28 . 120.61 3.9 9.3257e-01 6014 1 1 1 1 35 VAL C 181.49 M 175.69 2.03 4.2747e-03 6014 1 1 1 1 35 VAL CA 68.35 . 62.48 3.04 5.3493e-02 6014 1 1 1 1 35 VAL CB 31.7 . 32.66 1.91 6.1523e-01 6014 1 1 1 1 35 VAL H 8.9 . 8.29 0.71 3.9026e-01 6014 1 1 1 1 35 VAL HA 3.51 . 4.16 0.57 2.5414e-01 6014 1 1 1 1 35 VAL N 119.81 . 121.02 4.96 8.0727e-01 6014 1 1 1 1 75 PHE C 181.96 M 175.49 2.13 2.3850e-03 6014 1 1 1 1 75 PHE CA 58.62 . 58.25 2.73 8.9219e-01 6014 1 1 1 1 75 PHE CB 39.21 . 39.95 2.04 7.1680e-01 6014 1 1 1 1 75 PHE H 8.14 . 8.42 0.74 7.0515e-01 6014 1 1 1 1 75 PHE HA 4.3 . 4.62 0.58 5.8114e-01 6014 1 1 1 1 75 PHE N 120.53 . 120.69 4.18 9.6947e-01 6014 1 1 1 1 119 THR C 174.61 . 174.6 1.8 9.9557e-01 6014 1 1 1 1 119 THR CA 69.4 M 62.15 2.72 7.6887e-03 6014 1 1 1 1 119 THR H 8.45 . 8.27 0.62 7.7157e-01 6014 1 1 1 1 119 THR HA 4.29 . 4.48 0.5 7.0395e-01 6014 1 1 1 1 119 THR N 116.26 . 115.7 5.05 9.1170e-01 6014 1 1 1 1 124 HIS C 180.53 M 175.19 2.14 1.2584e-02 6014 1 1 1 1 124 HIS CA 58.84 . 56.37 2.4 3.0340e-01 6014 1 1 1 1 124 HIS CB 28.8 . 29.95 2.15 5.9273e-01 6014 1 1 1 1 124 HIS H 7.42 . 8.25 0.74 2.6202e-01 6014 1 1 1 1 124 HIS HA 4.29 . 4.62 0.51 5.1759e-01 6014 1 1 1 1 124 HIS N 122.98 . 119.44 4.52 4.3352e-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 6014 1 1 1 1 33 ARG TRP 0.18 6014 1 1 1 1 33 ARG VAL 0.16 6014 1 1 1 1 33 ARG ARG 0.12 6014 1 1 1 1 33 ARG GLU 0.12 6014 1 1 1 1 33 ARG ILE 0.08 6014 1 1 1 1 33 ARG HIS 0.08 6014 1 1 1 1 33 ARG LYS 0.07 6014 1 1 1 1 33 ARG MET 0.06 6014 1 1 1 1 33 ARG GLN 0.05 6014 1 1 1 1 33 ARG PRO 0.04 6014 1 1 1 1 35 VAL VAL 0.87 6014 1 1 1 1 35 VAL ILE 0.07 6014 1 1 1 1 35 VAL PRO 0.05 6014 1 1 1 1 75 PHE TYR 0.34 6014 1 1 1 1 75 PHE PHE 0.33 6014 1 1 1 1 75 PHE ILE 0.19 6014 1 1 1 1 75 PHE ASP 0.03 6014 1 1 1 1 75 PHE LEU 0.03 6014 1 1 1 1 75 PHE GLU 0.03 6014 1 1 1 1 119 THR VAL 0.63 6014 1 1 1 1 119 THR THR 0.21 6014 1 1 1 1 119 THR ILE 0.13 6014 1 1 1 1 119 THR SER 0.01 6014 1 1 1 1 124 HIS TRP 0.16 6014 1 1 1 1 124 HIS LYS 0.15 6014 1 1 1 1 124 HIS GLU 0.14 6014 1 1 1 1 124 HIS GLN 0.13 6014 1 1 1 1 124 HIS ILE 0.12 6014 1 1 1 1 124 HIS HIS 0.11 6014 1 1 1 1 124 HIS ARG 0.1 6014 1 1 1 1 124 HIS MET 0.02 6014 1 1 1 1 124 HIS LEU 0.02 6014 1 1 1 1 124 HIS VAL 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6014 _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 6014 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 6014 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6014 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6014 _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_