data_AVS_bmrb_pdb_report_17251 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17251 _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 95 ASN Anomalous Consistent Consistent Anomalous Consistent Consistent . . 17251 1 1 1 1 105 ARG Anomalous Consistent Suspicious Anomalous Consistent Consistent "HH22 > HA" 1.0000 17251 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 95 ASN CA 50.913 . 53.54 1.88 1.6231e-01 17251 1 1 1 1 95 ASN CB 34.673 . 38.69 1.69 1.7458e-02 17251 1 1 1 1 95 ASN H 8.240 . 8.34 0.63 8.7388e-01 17251 1 1 1 1 95 ASN HA 3.352 S 4.67 0.36 2.5112e-04 17251 1 1 1 1 95 ASN HB2 2.124 . 2.81 0.31 2.6904e-02 17251 1 1 1 1 95 ASN HB3 -0.367 A 2.75 0.33 3.5387e-21 17251 1 1 1 1 95 ASN HD21 7.225 . 7.35 0.48 7.9454e-01 17251 1 1 1 1 95 ASN HD22 6.273 . 7.14 0.49 7.6829e-02 17251 1 1 1 1 95 ASN N 124.964 . 118.93 4.03 1.3432e-01 17251 1 1 1 1 95 ASN ND2 111.680 . 112.75 2.23 6.3135e-01 17251 1 1 1 1 105 ARG CA 55.100 . 56.77 2.31 4.6971e-01 17251 1 1 1 1 105 ARG CB 32.227 . 30.7 1.83 4.0404e-01 17251 1 1 1 1 105 ARG CG 29.080 . 27.21 1.2 1.1915e-01 17251 1 1 1 1 105 ARG CD 43.775 . 43.16 0.88 4.8464e-01 17251 1 1 1 1 105 ARG H 8.441 . 8.24 0.61 7.4177e-01 17251 1 1 1 1 105 ARG HA 5.153 . 4.3 0.46 6.3690e-02 17251 1 1 1 1 105 ARG HB2 1.921 . 1.79 0.27 6.2754e-01 17251 1 1 1 1 105 ARG HB3 1.683 . 1.76 0.28 7.8332e-01 17251 1 1 1 1 105 ARG HG2 1.908 . 1.57 0.27 2.1062e-01 17251 1 1 1 1 105 ARG HG3 1.826 . 1.54 0.29 3.2403e-01 17251 1 1 1 1 105 ARG HD2 3.299 . 3.12 0.24 4.5577e-01 17251 1 1 1 1 105 ARG HD3 3.121 . 3.1 0.26 9.3563e-01 17251 1 1 1 1 105 ARG HH22 5.027 A 6.76 0.36 1.4802e-06 17251 1 1 1 1 105 ARG N 125.241 . 120.8 3.68 2.2751e-01 17251 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 95 ASN CYS 0.31 17251 1 1 1 1 95 ASN MET 0.19 17251 1 1 1 1 95 ASN PRO 0.18 17251 1 1 1 1 95 ASN ASN 0.08 17251 1 1 1 1 95 ASN GLN 0.08 17251 1 1 1 1 95 ASN LYS 0.05 17251 1 1 1 1 95 ASN HIS 0.02 17251 1 1 1 1 95 ASN GLU 0.01 17251 1 1 1 1 95 ASN ARG 0.01 17251 1 1 1 1 105 ARG CYS 0.43 17251 1 1 1 1 105 ARG ARG 0.26 17251 1 1 1 1 105 ARG GLY 0.16 17251 1 1 1 1 105 ARG LYS 0.13 17251 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17251 _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 17251 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17251 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17251 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17251 _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_