data_AVS_bmrb_pdb_report_10181 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 10181 _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 24 TRP Anomalous Consistent Consistent Consistent Consistent Anomalous . . 10181 1 1 1 2 1 ZN UNSUPPORTED . . . . . . .10181 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 24 TRP C 176.478 . 176.1 1.89 8.4148e-01 10181 1 1 1 1 24 TRP CA 55.009 . 57.71 2.65 3.0809e-01 10181 1 1 1 1 24 TRP CB 32.664 . 30.16 2.19 2.5288e-01 10181 1 1 1 1 24 TRP CD1 128.003 . 126.16 1.76 2.9503e-01 10181 1 1 1 1 24 TRP CE3 124.559 . 120.38 1.5 5.3363e-03 10181 1 1 1 1 24 TRP CZ2 114.411 . 114.19 1.09 8.3933e-01 10181 1 1 1 1 24 TRP CZ3 121.966 . 121.57 1.76 8.2198e-01 10181 1 1 1 1 24 TRP CH2 121.982 . 123.75 1.34 1.8703e-01 10181 1 1 1 1 24 TRP H 7.265 . 8.35 0.84 1.9647e-01 10181 1 1 1 1 24 TRP HA 5.251 . 4.74 0.55 3.5284e-01 10181 1 1 1 1 24 TRP HB2 3.489 . 3.22 0.36 4.5493e-01 10181 1 1 1 1 24 TRP HB3 3.489 . 3.18 0.36 3.9071e-01 10181 1 1 1 1 24 TRP HD1 7.500 . 7.16 0.34 3.1731e-01 10181 1 1 1 1 24 TRP HE1 10.200 . 10.13 0.53 8.9492e-01 10181 1 1 1 1 24 TRP HE3 7.260 . 7.17 1.03 9.3037e-01 10181 1 1 1 1 24 TRP HZ2 7.496 . 7.14 0.89 6.8916e-01 10181 1 1 1 1 24 TRP HZ3 7.969 . 6.68 1.02 2.0633e-01 10181 1 1 1 1 24 TRP HH2 7.240 . 6.82 0.94 6.5501e-01 10181 1 1 1 1 24 TRP N 135.582 A 121.87 4.58 2.7545e-03 10181 1 1 1 1 24 TRP NE1 129.168 . 129.48 2.56 9.0300e-01 10181 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 24 TRP CYS 0.59 10181 1 1 1 1 24 TRP TRP 0.39 10181 1 1 1 1 24 TRP HIS 0.01 10181 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 10181 _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 10181 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 10181 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 10181 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 10181 _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_