data_AVS_bmrb_pdb_report_4956 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 4956 _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 4956 1 1 1 1 87 HIS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 4956 1 1 1 1 88 SER Anomalous Indeterminable Consistent Anomalous Indeterminable 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 4956 1 1 1 1 87 HIS CA 53.5 . 56.37 2.4 2.3176e-01 4956 1 1 1 1 87 HIS H 8.54 . 8.25 0.74 6.9514e-01 4956 1 1 1 1 87 HIS HA 4.35 . 4.62 0.51 5.9652e-01 4956 1 1 1 1 87 HIS HB2 3.69 . 3.12 0.43 1.8498e-01 4956 1 1 1 1 87 HIS HB3 3.54 . 3.11 0.45 3.3930e-01 4956 1 1 1 1 87 HIS HD1 6.13 M 10.14 3.5 2.5191e-01 4956 1 1 1 1 87 HIS HE1 8.35 . 8.08 0.57 6.3572e-01 4956 1 1 1 1 87 HIS N 122.6 . 119.44 4.52 4.8448e-01 4956 1 1 1 1 88 SER H 8.08 . 8.29 0.62 7.3483e-01 4956 1 1 1 1 88 SER HA 4.53 . 4.51 0.43 9.6290e-01 4956 1 1 1 1 88 SER HB2 2.29 S 3.88 0.29 4.1874e-08 4956 1 1 1 1 88 SER HB3 1.30 M 3.87 0.31 1.1294e-16 4956 1 1 1 1 88 SER N 124.0 . 116.3 3.95 5.1252e-02 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 4956 1 1 1 1 87 HIS ASN 0.24 4956 1 1 1 1 87 HIS ALA 0.21 4956 1 1 1 1 87 HIS ASP 0.15 4956 1 1 1 1 87 HIS LEU 0.08 4956 1 1 1 1 87 HIS MET 0.06 4956 1 1 1 1 87 HIS HIS 0.05 4956 1 1 1 1 87 HIS GLN 0.03 4956 1 1 1 1 87 HIS ARG 0.03 4956 1 1 1 1 87 HIS LYS 0.03 4956 1 1 1 1 87 HIS TRP 0.02 4956 1 1 1 1 87 HIS PHE 0.02 4956 1 1 1 1 87 HIS GLU 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 4956 _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 4956 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 4956 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 4956 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 4956 _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_