data_AVS_bmrb_pdb_report_34433 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 34433 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _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 _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 17 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 34433 1 1 1 1 22 ASN Anomalous Consistent Suspicious Anomalous Consistent Consistent "HD21 > HA" 0.9966 34433 1 stop_ loop_ _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 _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 17 ARG CA 56.877 . 56.77 2.31 9.6306e-01 34433 1 1 1 1 17 ARG CB 32.026 . 30.7 1.83 4.6870e-01 34433 1 1 1 1 17 ARG CG 26.944 . 27.21 1.2 8.2457e-01 34433 1 1 1 1 17 ARG CD 43.605 . 43.16 0.88 6.1308e-01 34433 1 1 1 1 17 ARG H 7.848 . 8.24 0.61 5.2047e-01 34433 1 1 1 1 17 ARG HA 4.273 . 4.3 0.46 9.5319e-01 34433 1 1 1 1 17 ARG HB2 1.712 . 1.79 0.27 7.7267e-01 34433 1 1 1 1 17 ARG HB3 1.898 . 1.76 0.28 6.2211e-01 34433 1 1 1 1 17 ARG HG2 1.771 . 1.57 0.27 4.5661e-01 34433 1 1 1 1 17 ARG HG3 1.719 . 1.54 0.29 5.3708e-01 34433 1 1 1 1 17 ARG HD2 2.946 . 3.12 0.24 4.6845e-01 34433 1 1 1 1 17 ARG HD3 2.715 . 3.1 0.26 1.3867e-01 34433 1 1 1 1 17 ARG HH21 6.342 . 6.81 0.48 3.2956e-01 34433 1 1 1 1 17 ARG HH22 6.124 . 6.76 0.36 7.7284e-02 34433 1 1 1 1 17 ARG N 120.073 . 120.8 3.68 8.4339e-01 34433 1 1 1 1 17 ARG NH2 69.436 A 73.26 3.32 2.4940e-01 34433 1 1 1 1 22 ASN CA 50.558 . 53.54 1.88 1.1270e-01 34433 1 1 1 1 22 ASN CB 37.768 . 38.69 1.69 5.8537e-01 34433 1 1 1 1 22 ASN H 8.362 . 8.34 0.63 9.7214e-01 34433 1 1 1 1 22 ASN HA 4.288 . 4.67 0.36 2.8864e-01 34433 1 1 1 1 22 ASN HB2 -0.765 A 2.81 0.31 9.0732e-31 34433 1 1 1 1 22 ASN HB3 1.994 . 2.75 0.33 2.1969e-02 34433 1 1 1 1 22 ASN HD21 4.209 S 7.35 0.48 5.9995e-11 34433 1 1 1 1 22 ASN HD22 6.644 . 7.14 0.49 3.1142e-01 34433 1 1 1 1 22 ASN N 129.552 . 118.93 4.03 8.3956e-03 34433 1 1 1 1 22 ASN ND2 110.041 . 112.75 2.23 2.2444e-01 34433 1 stop_ loop_ _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 _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 17 ARG ARG 0.76 34433 1 1 1 1 17 ARG GLY 0.15 34433 1 1 1 1 17 ARG LYS 0.07 34433 1 1 1 1 22 ASN ASN 0.9 34433 1 1 1 1 22 ASN TYR 0.03 34433 1 1 1 1 22 ASN PHE 0.02 34433 1 1 1 1 22 ASN MET 0.01 34433 1 1 1 1 22 ASN LEU 0.01 34433 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 34433 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 2011-12-10 _Software.Details ; Original version modified by BMRB to export results in a BMRB STAR format. Changed status "Misassigned" to "Anomalous" ; loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu 34433 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 34433 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 34433 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 34433 _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_