data_AVS_bmrb_pdb_report_15126 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15126 _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 15126 1 1 1 1 22 GLN Anomalous Consistent Consistent Suspicious Anomalous Consistent . . 15126 1 1 1 1 57 TYR Anomalous Suspicious Consistent Anomalous 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 15126 1 1 1 1 22 GLN C 177.509 . 176.39 1.96 5.6805e-01 15126 1 1 1 1 22 GLN CA 61.460 M 56.62 2.19 2.7102e-02 15126 1 1 1 1 22 GLN CB 26.600 . 29.1 1.97 2.0443e-01 15126 1 1 1 1 22 GLN CG 33.327 . 33.72 1.1 7.2089e-01 15126 1 1 1 1 22 GLN H 6.910 . 8.22 0.62 3.4609e-02 15126 1 1 1 1 22 GLN HA 2.981 . 4.28 0.44 3.1544e-03 15126 1 1 1 1 22 GLN HB2 1.380 . 2.05 0.28 1.6718e-02 15126 1 1 1 1 22 GLN HB3 1.511 . 2.04 0.29 6.8131e-02 15126 1 1 1 1 22 GLN HG2 0.093 S 2.32 0.29 1.5995e-14 15126 1 1 1 1 22 GLN HG3 0.367 S 2.32 0.29 1.6451e-11 15126 1 1 1 1 22 GLN N 122.500 . 119.92 4.01 5.1997e-01 15126 1 1 1 1 57 TYR C 174.939 . 175.39 1.89 8.1140e-01 15126 1 1 1 1 57 TYR CA 55.270 . 58.02 2.64 2.9757e-01 15126 1 1 1 1 57 TYR CB 37.230 . 39.16 2.23 3.8678e-01 15126 1 1 1 1 57 TYR CD1 138.647 M 132.54 1.35 6.0767e-06 15126 1 1 1 1 57 TYR H 5.481 M 8.37 0.75 1.1716e-04 15126 1 1 1 1 57 TYR HA 4.926 . 4.63 0.56 5.9710e-01 15126 1 1 1 1 57 TYR HB2 2.079 . 2.91 0.37 2.4707e-02 15126 1 1 1 1 57 TYR HB3 3.801 . 2.91 0.37 1.6035e-02 15126 1 1 1 1 57 TYR HD1 7.939 . 6.87 0.65 1.0005e-01 15126 1 1 1 1 57 TYR N 115.490 . 120.79 4.69 2.5845e-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 15126 1 1 1 1 22 GLN CYS 0.34 15126 1 1 1 1 22 GLN PRO 0.34 15126 1 1 1 1 22 GLN LYS 0.07 15126 1 1 1 1 22 GLN ARG 0.07 15126 1 1 1 1 22 GLN ILE 0.06 15126 1 1 1 1 22 GLN GLN 0.05 15126 1 1 1 1 22 GLN VAL 0.01 15126 1 1 1 1 22 GLN GLU 0.01 15126 1 1 1 1 57 TYR CYS 0.64 15126 1 1 1 1 57 TYR PHE 0.33 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15126 _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 15126 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 15126 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 15126 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15126 _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_