data_AVS_bmrb_pdb_report_6277 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6277 _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 6277 1 1 1 1 93 TRP Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6277 1 1 1 1 141 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 6277 1 1 1 1 93 TRP C 176.389 . 176.1 1.89 8.7847e-01 6277 1 1 1 1 93 TRP CA 69.757 M 57.71 2.65 5.4665e-06 6277 1 1 1 1 93 TRP CB 29.997 . 30.16 2.19 9.4067e-01 6277 1 1 1 1 93 TRP H 7.452 . 8.35 0.84 2.8505e-01 6277 1 1 1 1 93 TRP HA 4.513 . 4.74 0.55 6.7981e-01 6277 1 1 1 1 93 TRP HB2 3.562 . 3.22 0.36 3.4211e-01 6277 1 1 1 1 93 TRP HB3 2.912 . 3.18 0.36 4.5661e-01 6277 1 1 1 1 93 TRP HD1 6.71 . 7.16 0.34 1.8566e-01 6277 1 1 1 1 93 TRP HE1 9.701 . 10.13 0.53 4.1827e-01 6277 1 1 1 1 93 TRP HE3 7.115 . 7.17 1.03 9.5741e-01 6277 1 1 1 1 93 TRP HZ2 7.114 . 7.14 0.89 9.7669e-01 6277 1 1 1 1 93 TRP HZ3 6.809 . 6.68 1.02 8.9936e-01 6277 1 1 1 1 93 TRP HH2 6.636 . 6.82 0.94 8.4481e-01 6277 1 1 1 1 93 TRP N 121.145 . 121.87 4.58 8.7422e-01 6277 1 1 1 1 93 TRP NE1 130.294 . 129.48 2.56 7.5051e-01 6277 1 1 1 1 141 TRP C 180.976 M 176.1 1.89 9.8831e-03 6277 1 1 1 1 141 TRP CA 61.681 . 57.71 2.65 1.3401e-01 6277 1 1 1 1 141 TRP CB 29.065 . 30.16 2.19 6.1707e-01 6277 1 1 1 1 141 TRP H 9.628 . 8.35 0.84 1.2815e-01 6277 1 1 1 1 141 TRP HA 4.437 . 4.74 0.55 5.8170e-01 6277 1 1 1 1 141 TRP HB2 3.761 . 3.22 0.36 1.3290e-01 6277 1 1 1 1 141 TRP HB3 3.613 . 3.18 0.36 2.2906e-01 6277 1 1 1 1 141 TRP HD1 7.316 . 7.16 0.34 6.4636e-01 6277 1 1 1 1 141 TRP HE1 10.217 . 10.13 0.53 8.6961e-01 6277 1 1 1 1 141 TRP HE3 7.354 . 7.17 1.03 8.5822e-01 6277 1 1 1 1 141 TRP HZ2 7.71 . 7.14 0.89 5.2188e-01 6277 1 1 1 1 141 TRP HZ3 7.091 . 6.68 1.02 6.8699e-01 6277 1 1 1 1 141 TRP HH2 7.427 . 6.82 0.94 5.1844e-01 6277 1 1 1 1 141 TRP N 120.006 . 121.87 4.58 6.8402e-01 6277 1 1 1 1 141 TRP NE1 130.279 . 129.48 2.56 7.5496e-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 6277 1 1 1 1 93 TRP VAL 0.69 6277 1 1 1 1 93 TRP ILE 0.25 6277 1 1 1 1 93 TRP CYS 0.03 6277 1 1 1 1 141 TRP ILE 0.36 6277 1 1 1 1 141 TRP CYS 0.15 6277 1 1 1 1 141 TRP TRP 0.12 6277 1 1 1 1 141 TRP VAL 0.07 6277 1 1 1 1 141 TRP PRO 0.07 6277 1 1 1 1 141 TRP GLU 0.05 6277 1 1 1 1 141 TRP ARG 0.04 6277 1 1 1 1 141 TRP LYS 0.04 6277 1 1 1 1 141 TRP HIS 0.03 6277 1 1 1 1 141 TRP GLN 0.03 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6277 _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 6277 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 6277 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6277 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6277 _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_