data_AVS_bmrb_pdb_report_5987 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 5987 _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 5987 1 1 1 1 29 TRP Anomalous Consistent Consistent Consistent 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 5987 1 1 1 1 29 TRP CA 55.610 . 57.71 2.65 4.2810e-01 5987 1 1 1 1 29 TRP CB 29.827 . 30.16 2.19 8.7914e-01 5987 1 1 1 1 29 TRP CD1 126.642 . 126.16 1.76 7.8419e-01 5987 1 1 1 1 29 TRP CE3 127.912 M 120.38 1.5 5.1314e-07 5987 1 1 1 1 29 TRP CZ2 113.386 . 114.19 1.09 4.6075e-01 5987 1 1 1 1 29 TRP CZ3 121.008 . 121.57 1.76 7.4949e-01 5987 1 1 1 1 29 TRP CH2 123.211 . 123.75 1.34 6.8751e-01 5987 1 1 1 1 29 TRP H 8.788 . 8.35 0.84 6.0207e-01 5987 1 1 1 1 29 TRP HA 4.834 . 4.74 0.55 8.6430e-01 5987 1 1 1 1 29 TRP HB2 3.313 . 3.22 0.36 7.9615e-01 5987 1 1 1 1 29 TRP HB3 2.936 . 3.18 0.36 4.9791e-01 5987 1 1 1 1 29 TRP HD1 7.132 . 7.16 0.34 9.3437e-01 5987 1 1 1 1 29 TRP HE1 10.182 . 10.13 0.53 9.2184e-01 5987 1 1 1 1 29 TRP HE3 7.041 . 7.17 1.03 9.0033e-01 5987 1 1 1 1 29 TRP HZ2 7.410 . 7.14 0.89 7.6161e-01 5987 1 1 1 1 29 TRP HZ3 7.076 . 6.68 1.02 6.9784e-01 5987 1 1 1 1 29 TRP HH2 7.081 . 6.82 0.94 7.8127e-01 5987 1 1 1 1 29 TRP N 124.387 . 121.87 4.58 5.8262e-01 5987 1 1 1 1 29 TRP NE1 129.659 . 129.48 2.56 9.4426e-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 5987 1 1 1 1 29 TRP TRP 0.56 5987 1 1 1 1 29 TRP CYS 0.41 5987 1 1 1 1 29 TRP HIS 0.02 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 5987 _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 5987 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 5987 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 5987 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 5987 _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_