data_AVS_bmrb_pdb_report_11337 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 11337 _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 1 113 TRP Anomalous Consistent Consistent Consistent Anomalous Consistent . . 11337 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 1 113 TRP C 180.982 A 176.1 1.89 9.7926e-03 11337 1 1 1 1 113 TRP CA 63.273 . 57.71 2.65 3.5795e-02 11337 1 1 1 1 113 TRP CB 28.581 . 30.16 2.19 4.7091e-01 11337 1 1 1 1 113 TRP CD1 127.835 . 126.16 1.76 3.4125e-01 11337 1 1 1 1 113 TRP CE3 119.419 . 120.38 1.5 5.2174e-01 11337 1 1 1 1 113 TRP CZ2 115.066 . 114.19 1.09 4.2159e-01 11337 1 1 1 1 113 TRP CZ3 120.030 . 121.57 1.76 3.8157e-01 11337 1 1 1 1 113 TRP CH2 124.116 . 123.75 1.34 7.8475e-01 11337 1 1 1 1 113 TRP H 8.520 . 8.35 0.84 8.3962e-01 11337 1 1 1 1 113 TRP HA 4.063 . 4.74 0.55 2.1836e-01 11337 1 1 1 1 113 TRP HB2 3.592 . 3.22 0.36 3.0145e-01 11337 1 1 1 1 113 TRP HB3 3.457 . 3.18 0.36 4.4163e-01 11337 1 1 1 1 113 TRP HD1 7.307 . 7.16 0.34 6.6548e-01 11337 1 1 1 1 113 TRP HE1 10.252 . 10.13 0.53 8.1795e-01 11337 1 1 1 1 113 TRP HE3 7.273 . 7.17 1.03 9.2034e-01 11337 1 1 1 1 113 TRP HZ2 7.381 . 7.14 0.89 7.8656e-01 11337 1 1 1 1 113 TRP HZ3 6.647 . 6.68 1.02 9.7419e-01 11337 1 1 1 1 113 TRP HH2 6.975 . 6.82 0.94 8.6903e-01 11337 1 1 1 1 113 TRP N 118.837 . 121.87 4.58 5.0783e-01 11337 1 1 1 1 113 TRP NE1 132.277 . 129.48 2.56 2.7458e-01 11337 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 1 113 TRP TRP 0.63 11337 1 1 1 1 113 TRP CYS 0.35 11337 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 11337 _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 11337 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 11337 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 11337 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 11337 _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_