data_AVS_bmrb_pdb_report_16964 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16964 _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 27 PHE Anomalous Consistent Consistent Indeterminable Anomalous Consistent . . 16964 1 1 1 1 36 PHE Anomalous Consistent Consistent Indeterminable Anomalous Consistent . . 16964 1 1 1 1 46 ARG Anomalous Consistent Consistent Indeterminable Anomalous Consistent . . 16964 1 1 1 1 115 PHE Anomalous Consistent Consistent Indeterminable Anomalous Consistent . . 16964 1 1 1 1 150 TRP Anomalous Consistent Consistent Indeterminable Anomalous Consistent . . 16964 1 1 1 1 170 ASP Anomalous Consistent Consistent Indeterminable Anomalous Consistent . . 16964 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 27 PHE C 177.5 . 175.49 2.13 3.4534e-01 16964 1 1 1 1 27 PHE CA 62.1 . 58.25 2.73 1.5846e-01 16964 1 1 1 1 27 PHE CB 39.9 . 39.95 2.04 9.8045e-01 16964 1 1 1 1 27 PHE CG 140.6 A 138.35 1.12 4.4545e-02 16964 1 1 1 1 27 PHE CD1 128.6 . 131.38 1.38 4.3958e-02 16964 1 1 1 1 27 PHE N 114.4 . 120.69 4.18 1.3238e-01 16964 1 1 1 1 36 PHE C 177.9 . 175.49 2.13 2.5786e-01 16964 1 1 1 1 36 PHE CA 62.8 . 58.25 2.73 9.5581e-02 16964 1 1 1 1 36 PHE CB 39.0 . 39.95 2.04 6.4144e-01 16964 1 1 1 1 36 PHE CG 140.8 A 138.35 1.12 2.8706e-02 16964 1 1 1 1 36 PHE CD1 130.9 . 131.38 1.38 7.2797e-01 16964 1 1 1 1 36 PHE N 113.6 . 120.69 4.18 8.9853e-02 16964 1 1 1 1 46 ARG C 178.3 . 176.49 2.16 4.0205e-01 16964 1 1 1 1 46 ARG CA 60.7 . 56.95 2.41 1.1970e-01 16964 1 1 1 1 46 ARG CB 29.5 . 30.66 1.77 5.1223e-01 16964 1 1 1 1 46 ARG CD 43.8 . 43.1 1.1 5.2454e-01 16964 1 1 1 1 46 ARG CZ 160.7 A 159.01 0.87 5.2073e-02 16964 1 1 1 1 46 ARG N 118.6 . 120.61 3.9 6.0628e-01 16964 1 1 1 1 115 PHE C 175.1 . 175.49 2.13 8.5472e-01 16964 1 1 1 1 115 PHE CA 58.7 . 58.25 2.73 8.6907e-01 16964 1 1 1 1 115 PHE CB 39.3 . 39.95 2.04 7.5001e-01 16964 1 1 1 1 115 PHE CG 141.3 A 138.35 1.12 8.4403e-03 16964 1 1 1 1 115 PHE CD1 133.0 . 131.38 1.38 2.4043e-01 16964 1 1 1 1 115 PHE CE1 129.0 . 130.48 1.29 2.5126e-01 16964 1 1 1 1 115 PHE CZ 128.2 . 129.11 1.68 5.8805e-01 16964 1 1 1 1 115 PHE N 120.3 . 120.69 4.18 9.2566e-01 16964 1 1 1 1 150 TRP C 172.2 . 176.1 1.89 3.9066e-02 16964 1 1 1 1 150 TRP CA 55.4 . 57.71 2.65 3.8337e-01 16964 1 1 1 1 150 TRP CB 30.3 . 30.16 2.19 9.4903e-01 16964 1 1 1 1 150 TRP CG 109.5 . 110.37 1.55 5.7460e-01 16964 1 1 1 1 150 TRP CD1 128.3 . 126.16 1.76 2.2402e-01 16964 1 1 1 1 150 TRP CD2 130.8 A 127.4 1.33 1.0576e-02 16964 1 1 1 1 150 TRP CE2 137.9 . 137.38 2.86 8.5573e-01 16964 1 1 1 1 150 TRP N 121.9 . 121.87 4.58 9.9477e-01 16964 1 1 1 1 170 ASP CA 57.9 . 54.52 2.1 1.0750e-01 16964 1 1 1 1 170 ASP CB 39.8 . 40.7 1.67 5.8994e-01 16964 1 1 1 1 170 ASP CG 182.6 A 178.41 1.84 2.2776e-02 16964 1 1 1 1 170 ASP N 121.8 . 120.73 4.2 7.9891e-01 16964 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 27 PHE CYS 0.87 16964 1 1 1 1 27 PHE PHE 0.12 16964 1 1 1 1 36 PHE CYS 0.7 16964 1 1 1 1 36 PHE PHE 0.29 16964 1 1 1 1 46 ARG CYS 0.54 16964 1 1 1 1 46 ARG GLY 0.3 16964 1 1 1 1 46 ARG ARG 0.14 16964 1 1 1 1 115 PHE CYS 0.85 16964 1 1 1 1 115 PHE PHE 0.14 16964 1 1 1 1 150 TRP CYS 0.84 16964 1 1 1 1 150 TRP TRP 0.12 16964 1 1 1 1 150 TRP HIS 0.03 16964 1 1 1 1 170 ASP CYS 0.83 16964 1 1 1 1 170 ASP GLU 0.1 16964 1 1 1 1 170 ASP ASP 0.05 16964 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16964 _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.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 16964 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16964 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16964 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16964 _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_