data_AVS_bmrb_pdb_report_6046 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6046 _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 6046 1 1 1 1 103 ASN Anomalous Consistent Consistent Anomalous Suspicious 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 6046 1 1 1 1 103 ASN C 173.8 . 175.16 1.76 4.3968e-01 6046 1 1 1 1 103 ASN CA 52.9 . 53.43 1.94 7.8470e-01 6046 1 1 1 1 103 ASN CB 45.0 S 38.66 1.78 3.6832e-04 6046 1 1 1 1 103 ASN CG 174.8 . 176.61 1.33 1.7354e-01 6046 1 1 1 1 103 ASN H 9.07 . 8.37 0.65 2.8151e-01 6046 1 1 1 1 103 ASN HA 6.39 M 4.7 0.39 1.4687e-05 6046 1 1 1 1 103 ASN HB2 2.61 . 2.8 0.34 5.7628e-01 6046 1 1 1 1 103 ASN HB3 2.56 . 2.78 0.34 5.1759e-01 6046 1 1 1 1 103 ASN HD21 6.71 . 7.27 0.52 2.8151e-01 6046 1 1 1 1 103 ASN HD22 7.72 . 7.2 0.52 3.1731e-01 6046 1 1 1 1 103 ASN N 116.82 . 119.13 4.42 6.0124e-01 6046 1 1 1 1 103 ASN ND2 115.11 . 112.83 2.6 3.8053e-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 6046 1 1 1 1 103 ASN GLY 0.86 6046 1 1 1 1 103 ASN CYS 0.12 6046 1 1 1 1 103 ASN ASP 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6046 _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 6046 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 6046 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6046 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6046 _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_