data_AVS_bmrb_pdb_report_17161 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17161 _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 39 ASN Anomalous Consistent Consistent Consistent Anomalous Consistent . . 17161 1 1 1 2 109 GLN Anomalous Consistent Consistent Consistent Anomalous Consistent . . 17161 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 39 ASN C 178.37 . 175.16 1.76 6.8173e-02 17161 1 1 1 1 39 ASN CA 55.38 . 53.43 1.94 3.1482e-01 17161 1 1 1 1 39 ASN CB 37.38 . 38.66 1.78 4.7208e-01 17161 1 1 1 1 39 ASN CG 173.24 A 176.61 1.33 1.1282e-02 17161 1 1 1 1 39 ASN H 8.51 . 8.37 0.65 8.2947e-01 17161 1 1 1 1 39 ASN HA 4.32 . 4.7 0.39 3.2988e-01 17161 1 1 1 1 39 ASN HB2 2.7 . 2.8 0.34 7.6867e-01 17161 1 1 1 1 39 ASN HB3 2.92 . 2.78 0.34 6.8051e-01 17161 1 1 1 1 39 ASN HD21 7.55 . 7.27 0.52 5.9026e-01 17161 1 1 1 1 39 ASN HD22 5.52 . 7.2 0.52 1.2346e-03 17161 1 1 1 1 39 ASN N 115.26 . 119.13 4.42 3.8127e-01 17161 1 1 1 1 39 ASN ND2 106.66 . 112.83 2.6 1.7641e-02 17161 1 1 1 2 109 GLN C 180.74 . 176.39 1.96 2.6460e-02 17161 1 1 1 2 109 GLN CA 57.32 . 56.62 2.19 7.4925e-01 17161 1 1 1 2 109 GLN CB 30.27 . 29.1 1.97 5.5257e-01 17161 1 1 1 2 109 GLN CG 34.32 . 33.72 1.1 5.8544e-01 17161 1 1 1 2 109 GLN CD 181.35 A 179.68 1.17 1.5348e-01 17161 1 1 1 2 109 GLN H 8.03 . 8.22 0.62 7.5926e-01 17161 1 1 1 2 109 GLN HA 4.16 . 4.28 0.44 7.8506e-01 17161 1 1 1 2 109 GLN HB2 2.14 . 2.05 0.28 7.4789e-01 17161 1 1 1 2 109 GLN HB3 2.14 . 2.04 0.29 7.3022e-01 17161 1 1 1 2 109 GLN HG2 2.35 . 2.32 0.29 9.1761e-01 17161 1 1 1 2 109 GLN HG3 2.35 . 2.32 0.29 9.1761e-01 17161 1 1 1 2 109 GLN HE21 7.54 . 7.17 0.46 4.2120e-01 17161 1 1 1 2 109 GLN HE22 6.83 . 7.07 0.49 6.2428e-01 17161 1 1 1 2 109 GLN N 125.68 . 119.92 4.01 1.5089e-01 17161 1 1 1 2 109 GLN NE2 112.2 . 111.81 2.2 8.5929e-01 17161 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 39 ASN CYS 0.93 17161 1 1 1 1 39 ASN ASN 0.05 17161 1 1 1 2 109 GLN CYS 0.4 17161 1 1 1 2 109 GLN GLU 0.34 17161 1 1 1 2 109 GLN GLN 0.24 17161 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17161 _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.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 17161 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17161 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17161 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17161 _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_