data_AVS_bmrb_pdb_report_6530 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6530 _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 6530 1 1 1 1 16 ARG Anomalous Indeterminable Consistent Anomalous Indeterminable Consistent . . 6530 1 1 1 1 27 ASN Anomalous Indeterminable Suspicious Anomalous Indeterminable Consistent "HD22 > HA" 0.9966 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 6530 1 1 1 1 16 ARG H 8.697 . 8.24 0.6 4.4626e-01 6530 1 1 1 1 16 ARG HA 4.449 . 4.27 0.44 6.8414e-01 6530 1 1 1 1 16 ARG HB2 1.269 . 1.79 0.28 6.2785e-02 6530 1 1 1 1 16 ARG HB3 -0.059 M 1.78 0.28 5.1044e-11 6530 1 1 1 1 16 ARG HG2 1.340 . 1.58 0.27 3.7406e-01 6530 1 1 1 1 16 ARG HG3 1.204 . 1.58 0.27 1.6374e-01 6530 1 1 1 1 16 ARG HD2 2.983 . 3.13 0.23 5.2274e-01 6530 1 1 1 1 16 ARG HD3 2.617 . 3.13 0.22 1.9710e-02 6530 1 1 1 1 16 ARG N 127.744 . 120.61 3.9 6.7365e-02 6530 1 1 1 1 27 ASN H 8.099 . 8.37 0.65 6.7673e-01 6530 1 1 1 1 27 ASN HA 4.431 . 4.7 0.39 4.9036e-01 6530 1 1 1 1 27 ASN HB2 1.985 . 2.8 0.34 1.6527e-02 6530 1 1 1 1 27 ASN HB3 -0.384 M 2.78 0.34 1.3288e-20 6530 1 1 1 1 27 ASN HD21 6.661 . 7.27 0.52 2.4154e-01 6530 1 1 1 1 27 ASN HD22 4.104 S 7.2 0.52 2.6191e-09 6530 1 1 1 1 27 ASN N 129.128 . 119.13 4.42 2.3698e-02 6530 1 1 1 1 27 ASN ND2 110.400 . 112.83 2.6 3.4999e-01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6530 _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 6530 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 6530 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6530 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6530 _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_