data_AVS_bmrb_pdb_report_7158 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 7158 _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 16 GLN Anomalous Consistent Suspicious Anomalous Consistent Consistent "H > HG3" 1.0000 7158 1 1 1 1 16 GLN . . . . . . "HA > HG3" 0.9995 7158 1 1 1 1 16 GLN . . . . . . "HE21 > HG3" 0.9994 7158 1 1 1 1 16 GLN . . . . . . "HE22 > HG3" 1.0000 7158 1 1 1 1 17 ASN Anomalous Consistent Consistent Anomalous Consistent Consistent . . 7158 1 1 1 2 1 ZN UNSUPPORTED . . . . . . . 7158 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 16 GLN C 173.818 . 176.31 1.95 2.0127e-01 7158 1 1 1 1 16 GLN CA 56.154 . 56.57 2.14 8.4587e-01 7158 1 1 1 1 16 GLN CB 30.493 . 29.19 1.82 4.7403e-01 7158 1 1 1 1 16 GLN CG 34.956 . 33.76 1.11 2.8127e-01 7158 1 1 1 1 16 GLN H 8.188 . 8.22 0.59 9.5675e-01 7158 1 1 1 1 16 GLN HA 4.423 . 4.27 0.44 7.2804e-01 7158 1 1 1 1 16 GLN HB2 1.710 . 2.05 0.25 1.7383e-01 7158 1 1 1 1 16 GLN HB3 1.889 . 2.02 0.28 6.3989e-01 7158 1 1 1 1 16 GLN HG2 2.219 . 2.32 0.27 7.0835e-01 7158 1 1 1 1 16 GLN HG3 34.946 A 2.29 0.29 0.0000e+00 7158 1 1 1 1 16 GLN HE21 6.716 . 7.24 0.45 2.4424e-01 7158 1 1 1 1 16 GLN HE22 8.066 . 7.02 0.44 1.7441e-02 7158 1 1 1 1 16 GLN N 125.930 . 119.89 3.6 9.3390e-02 7158 1 1 1 1 16 GLN NE2 113.430 . 111.87 1.72 3.6442e-01 7158 1 1 1 1 17 ASN C 177.304 . 175.27 1.79 2.5583e-01 7158 1 1 1 1 17 ASN CA 52.425 . 53.54 1.88 5.5312e-01 7158 1 1 1 1 17 ASN CB 44.205 . 38.69 1.69 1.1012e-03 7158 1 1 1 1 17 ASN H 9.206 . 8.34 0.63 1.6925e-01 7158 1 1 1 1 17 ASN HA 4.521 . 4.67 0.36 6.7896e-01 7158 1 1 1 1 17 ASN HB2 0.138 A 2.81 0.31 6.7332e-18 7158 1 1 1 1 17 ASN HB3 1.607 S 2.75 0.33 5.3293e-04 7158 1 1 1 1 17 ASN HD21 7.335 . 7.35 0.48 9.7507e-01 7158 1 1 1 1 17 ASN HD22 7.335 . 7.14 0.49 6.9066e-01 7158 1 1 1 1 17 ASN N 125.078 . 118.93 4.03 1.2712e-01 7158 1 1 1 1 17 ASN ND2 114.550 . 112.75 2.23 4.1957e-01 7158 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 16 GLN CYS 0.25 7158 1 1 1 1 16 GLN GLU 0.24 7158 1 1 1 1 16 GLN GLN 0.21 7158 1 1 1 1 16 GLN MET 0.17 7158 1 1 1 1 16 GLN LYS 0.1 7158 1 1 1 1 17 ASN GLY 0.56 7158 1 1 1 1 17 ASN LEU 0.28 7158 1 1 1 1 17 ASN ASP 0.09 7158 1 1 1 1 17 ASN CYS 0.04 7158 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 7158 _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 7158 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 7158 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 7158 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 7158 _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_