data_AVS_bmrb_pdb_report_17510 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17510 _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 40 TYR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 17510 1 1 1 1 103 GLN Anomalous Consistent Suspicious Anomalous Consistent Consistent "HA > HG2" 1.0000 17510 1 1 1 1 198 TYR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 17510 1 1 1 2 1 IPS UNSUPPORTED . . . . . . . 17510 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 40 TYR C 174.618 . 175.39 1.89 6.8293e-01 17510 1 1 1 1 40 TYR CA 56.432 . 58.02 2.64 5.4750e-01 17510 1 1 1 1 40 TYR CB 47.169 A 39.16 2.23 3.2881e-04 17510 1 1 1 1 40 TYR H 8.149 . 8.37 0.75 7.6825e-01 17510 1 1 1 1 40 TYR HA 5.248 . 4.63 0.56 2.6978e-01 17510 1 1 1 1 40 TYR HB2 3.472 . 2.91 0.37 1.2878e-01 17510 1 1 1 1 40 TYR HB3 2.498 . 2.91 0.37 2.6549e-01 17510 1 1 1 1 40 TYR N 112.536 . 120.79 4.69 7.8422e-02 17510 1 1 1 1 103 GLN C 174.765 . 176.39 1.96 4.0706e-01 17510 1 1 1 1 103 GLN CA 58.739 . 56.62 2.19 3.3325e-01 17510 1 1 1 1 103 GLN CB 27.723 . 29.1 1.97 4.8456e-01 17510 1 1 1 1 103 GLN CG 35.279 . 33.72 1.1 1.5640e-01 17510 1 1 1 1 103 GLN H 10.545 S 8.22 0.62 1.7683e-04 17510 1 1 1 1 103 GLN HA 2.388 A 4.28 0.44 1.7080e-05 17510 1 1 1 1 103 GLN HB2 1.396 . 2.05 0.28 1.9506e-02 17510 1 1 1 1 103 GLN HB3 1.824 . 2.04 0.29 4.5638e-01 17510 1 1 1 1 103 GLN HG2 2.778 . 2.32 0.29 1.1426e-01 17510 1 1 1 1 103 GLN HG3 1.518 . 2.32 0.29 5.6833e-03 17510 1 1 1 1 103 GLN N 117.288 . 119.92 4.01 5.1159e-01 17510 1 1 1 1 198 TYR C 182.190 A 175.39 1.89 3.2082e-04 17510 1 1 1 1 198 TYR CA 60.430 . 58.02 2.64 3.6131e-01 17510 1 1 1 1 198 TYR CB 40.481 . 39.16 2.23 5.5360e-01 17510 1 1 1 1 198 TYR CD1 133.390 . 132.54 1.35 5.2894e-01 17510 1 1 1 1 198 TYR H 9.018 . 8.37 0.75 3.8759e-01 17510 1 1 1 1 198 TYR HA 4.521 . 4.63 0.56 8.4567e-01 17510 1 1 1 1 198 TYR HB2 3.479 . 2.91 0.37 1.2409e-01 17510 1 1 1 1 198 TYR HB3 2.717 . 2.91 0.37 6.0193e-01 17510 1 1 1 1 198 TYR HD1 7.145 . 6.87 0.65 6.7224e-01 17510 1 1 1 1 198 TYR HD2 7.145 . 6.86 0.68 6.7513e-01 17510 1 1 1 1 198 TYR HE1 7.287 . 6.64 0.58 2.6463e-01 17510 1 1 1 1 198 TYR HE2 7.287 . 6.63 0.61 2.8146e-01 17510 1 1 1 1 198 TYR N 128.898 . 120.79 4.69 8.3848e-02 17510 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 40 TYR GLY 0.5 17510 1 1 1 1 40 TYR CYS 0.39 17510 1 1 1 1 40 TYR LEU 0.08 17510 1 1 1 1 103 GLN CYS 0.35 17510 1 1 1 1 103 GLN GLU 0.2 17510 1 1 1 1 103 GLN LYS 0.15 17510 1 1 1 1 103 GLN GLN 0.12 17510 1 1 1 1 103 GLN ILE 0.12 17510 1 1 1 1 103 GLN ARG 0.02 17510 1 1 1 1 198 TYR TYR 0.42 17510 1 1 1 1 198 TYR PHE 0.28 17510 1 1 1 1 198 TYR CYS 0.28 17510 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17510 _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 17510 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17510 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17510 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17510 _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_