data_AVS_bmrb_pdb_report_6291 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6291 _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 6291 1 1 1 1 50 TRP Anomalous Consistent Consistent Anomalous Consistent 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 6291 1 1 1 1 50 TRP C 174.7 . 176.1 1.89 4.5885e-01 6291 1 1 1 1 50 TRP CA 56.7 . 57.71 2.65 7.0310e-01 6291 1 1 1 1 50 TRP CB 30.9 . 30.16 2.19 7.3544e-01 6291 1 1 1 1 50 TRP CD1 129.0 . 126.16 1.76 1.0661e-01 6291 1 1 1 1 50 TRP CE3 120.1 . 120.38 1.5 8.5192e-01 6291 1 1 1 1 50 TRP CZ2 114.1 . 114.19 1.09 9.3419e-01 6291 1 1 1 1 50 TRP CZ3 121.8 . 121.57 1.76 8.9603e-01 6291 1 1 1 1 50 TRP CH2 123.5 . 123.75 1.34 8.5200e-01 6291 1 1 1 1 50 TRP H 7.65 . 8.35 0.84 4.0466e-01 6291 1 1 1 1 50 TRP HA 4.83 . 4.74 0.55 8.7002e-01 6291 1 1 1 1 50 TRP HB2 3.41 . 3.22 0.36 5.9765e-01 6291 1 1 1 1 50 TRP HB3 2.69 . 3.18 0.36 1.7348e-01 6291 1 1 1 1 50 TRP HD1 5.41 M 7.16 0.34 2.6460e-07 6291 1 1 1 1 50 TRP HE1 9.99 . 10.13 0.53 7.9166e-01 6291 1 1 1 1 50 TRP HE3 7.62 . 7.17 1.03 6.6219e-01 6291 1 1 1 1 50 TRP HZ2 7.33 . 7.14 0.89 8.3095e-01 6291 1 1 1 1 50 TRP HZ3 7.16 . 6.68 1.02 6.3793e-01 6291 1 1 1 1 50 TRP HH2 7.01 . 6.82 0.94 8.3982e-01 6291 1 1 1 1 50 TRP N 115.8 . 121.87 4.58 1.8506e-01 6291 1 1 1 1 50 TRP NE1 128.2 . 129.48 2.56 6.1707e-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 6291 1 1 1 1 50 TRP TRP 0.99 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6291 _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 6291 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 6291 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6291 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6291 _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_