data_AVS_bmrb_pdb_report_17036 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17036 _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 14 ASN Anomalous Consistent Consistent Consistent Consistent Anomalous . . 17036 1 1 1 1 87 PHE Anomalous Consistent Consistent Consistent Anomalous Consistent . . 17036 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 14 ASN CA 51.460 . 53.43 1.94 3.0988e-01 17036 1 1 1 1 14 ASN CB 39.045 . 38.66 1.78 8.2876e-01 17036 1 1 1 1 14 ASN H 8.149 . 8.37 0.65 7.3386e-01 17036 1 1 1 1 14 ASN HA 4.947 . 4.7 0.39 5.2652e-01 17036 1 1 1 1 14 ASN HB2 2.661 . 2.8 0.34 6.8267e-01 17036 1 1 1 1 14 ASN HB3 2.465 . 2.78 0.34 3.5420e-01 17036 1 1 1 1 14 ASN HD21 7.627 . 7.27 0.52 4.9237e-01 17036 1 1 1 1 14 ASN HD22 7.150 . 7.2 0.52 9.2340e-01 17036 1 1 1 1 14 ASN N 119.052 . 119.13 4.42 9.8592e-01 17036 1 1 1 1 14 ASN ND2 21.038 A 112.83 2.6 0.0000e+00 17036 1 1 1 1 87 PHE CA 54.947 . 58.25 2.73 2.2632e-01 17036 1 1 1 1 87 PHE CB 42.492 . 39.95 2.04 2.1274e-01 17036 1 1 1 1 87 PHE CD1 131.456 . 131.38 1.38 9.5608e-01 17036 1 1 1 1 87 PHE CD2 131.330 . 131.33 1.48 1.0000e+00 17036 1 1 1 1 87 PHE CE1 131.194 . 130.48 1.29 5.7993e-01 17036 1 1 1 1 87 PHE CE2 61.245 A 130.6 0.97 0.0000e+00 17036 1 1 1 1 87 PHE CZ 131.140 . 129.11 1.68 2.2692e-01 17036 1 1 1 1 87 PHE H 8.053 . 8.42 0.74 6.1993e-01 17036 1 1 1 1 87 PHE HA 4.353 . 4.62 0.58 6.4527e-01 17036 1 1 1 1 87 PHE HB2 2.401 . 2.99 0.37 1.1141e-01 17036 1 1 1 1 87 PHE HB3 2.883 . 2.97 0.38 8.1891e-01 17036 1 1 1 1 87 PHE HD1 7.159 . 6.91 0.82 7.6139e-01 17036 1 1 1 1 87 PHE HD2 7.159 . 6.89 0.86 7.5444e-01 17036 1 1 1 1 87 PHE HE1 7.197 . 6.95 0.82 7.6325e-01 17036 1 1 1 1 87 PHE HE2 7.197 . 6.94 0.86 7.6506e-01 17036 1 1 1 1 87 PHE HZ 7.315 . 6.92 0.8 6.2148e-01 17036 1 1 1 1 87 PHE N 124.052 . 120.69 4.18 4.2122e-01 17036 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 14 ASN ASN 0.53 17036 1 1 1 1 14 ASN ASP 0.19 17036 1 1 1 1 14 ASN CYS 0.15 17036 1 1 1 1 14 ASN TYR 0.04 17036 1 1 1 1 14 ASN PHE 0.03 17036 1 1 1 1 14 ASN LEU 0.03 17036 1 1 1 1 87 PHE PHE 0.58 17036 1 1 1 1 87 PHE CYS 0.36 17036 1 1 1 1 87 PHE GLY 0.04 17036 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17036 _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 17036 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17036 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17036 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17036 _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_