data_AVS_bmrb_pdb_report_6832 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6832 _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 6832 1 1 1 1 43 GLY Anomalous Consistent Consistent Anomalous Consistent Consistent . . 6832 1 1 1 1 152 LEU 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 6832 1 1 1 1 43 GLY C 174.89 . 174.04 1.94 6.6128e-01 6832 1 1 1 1 43 GLY CA 44.94 . 45.33 1.42 7.8359e-01 6832 1 1 1 1 43 GLY H 12.68 M 8.34 0.74 4.4950e-09 6832 1 1 1 1 43 GLY N 115.91 . 109.91 4.29 1.6193e-01 6832 1 1 1 1 152 LEU C 175.44 . 176.97 2.09 4.6413e-01 6832 1 1 1 1 152 LEU CA 54.45 . 55.65 2.21 5.8714e-01 6832 1 1 1 1 152 LEU CB 41.38 . 42.37 1.86 5.9455e-01 6832 1 1 1 1 152 LEU H 5.23 M 8.22 0.65 4.2249e-06 6832 1 1 1 1 152 LEU N 118.24 . 121.98 4.07 3.5814e-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 6832 1 1 1 1 43 GLY GLY 0.65 6832 1 1 1 1 43 GLY LEU 0.13 6832 1 1 1 1 43 GLY CYS 0.09 6832 1 1 1 1 43 GLY ARG 0.07 6832 1 1 1 1 43 GLY PHE 0.01 6832 1 1 1 1 152 LEU ASP 0.25 6832 1 1 1 1 152 LEU LEU 0.2 6832 1 1 1 1 152 LEU LYS 0.14 6832 1 1 1 1 152 LEU CYS 0.1 6832 1 1 1 1 152 LEU PHE 0.08 6832 1 1 1 1 152 LEU ASN 0.07 6832 1 1 1 1 152 LEU TYR 0.06 6832 1 1 1 1 152 LEU ARG 0.04 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6832 _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 6832 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 6832 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6832 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6832 _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_