data_AVS_bmrb_pdb_report_10237 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 10237 _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 84 PHE Anomalous Consistent Consistent Anomalous Consistent Consistent . . 10237 1 1 1 1 174 ASN Anomalous Consistent Consistent Anomalous Consistent Consistent . . 10237 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 84 PHE C 173.004 . 175.49 2.13 2.4316e-01 10237 1 1 1 1 84 PHE CA 57.734 . 58.25 2.73 8.5008e-01 10237 1 1 1 1 84 PHE CB 39.612 . 39.95 2.04 8.6840e-01 10237 1 1 1 1 84 PHE CD1 131.483 . 131.38 1.38 9.4050e-01 10237 1 1 1 1 84 PHE CD2 131.483 . 131.33 1.48 9.1766e-01 10237 1 1 1 1 84 PHE CE1 131.308 . 130.48 1.29 5.2096e-01 10237 1 1 1 1 84 PHE CE2 131.308 . 130.6 0.97 4.6545e-01 10237 1 1 1 1 84 PHE H 8.216 . 8.42 0.74 7.8280e-01 10237 1 1 1 1 84 PHE HA 5.058 . 4.62 0.58 4.5015e-01 10237 1 1 1 1 84 PHE HB2 4.455 A 2.99 0.37 7.5120e-05 10237 1 1 1 1 84 PHE HB3 2.960 . 2.97 0.38 9.7901e-01 10237 1 1 1 1 84 PHE HD1 7.414 . 6.91 0.82 5.3880e-01 10237 1 1 1 1 84 PHE HD2 7.414 . 6.89 0.86 5.4232e-01 10237 1 1 1 1 84 PHE HE1 7.349 . 6.95 0.82 6.2655e-01 10237 1 1 1 1 84 PHE HE2 7.349 . 6.94 0.86 6.3437e-01 10237 1 1 1 1 84 PHE N 115.732 . 120.69 4.18 2.3557e-01 10237 1 1 1 1 174 ASN C 175.317 . 175.16 1.76 9.2892e-01 10237 1 1 1 1 174 ASN CA 50.694 . 53.43 1.94 1.5845e-01 10237 1 1 1 1 174 ASN CB 39.511 . 38.66 1.78 6.3259e-01 10237 1 1 1 1 174 ASN H 7.077 . 8.37 0.65 4.6676e-02 10237 1 1 1 1 174 ASN HA 4.451 . 4.7 0.39 5.2317e-01 10237 1 1 1 1 174 ASN HB2 2.602 . 2.8 0.34 5.6033e-01 10237 1 1 1 1 174 ASN HB3 3.363 . 2.78 0.34 8.6399e-02 10237 1 1 1 1 174 ASN HD21 9.484 A 7.27 0.52 2.0655e-05 10237 1 1 1 1 174 ASN HD22 6.045 . 7.2 0.52 2.6341e-02 10237 1 1 1 1 174 ASN N 121.971 . 119.13 4.42 5.2038e-01 10237 1 1 1 1 174 ASN ND2 116.522 . 112.83 2.6 1.5561e-01 10237 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 84 PHE PHE 0.42 10237 1 1 1 1 84 PHE CYS 0.31 10237 1 1 1 1 84 PHE TYR 0.26 10237 1 1 1 1 174 ASN ASN 0.5 10237 1 1 1 1 174 ASN ASP 0.22 10237 1 1 1 1 174 ASN CYS 0.15 10237 1 1 1 1 174 ASN LEU 0.03 10237 1 1 1 1 174 ASN PHE 0.03 10237 1 1 1 1 174 ASN TYR 0.03 10237 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 10237 _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 10237 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 10237 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 10237 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 10237 _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_