data_AVS_bmrb_pdb_report_4182 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 4182 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 4182 1 1 1 1 22 ASN Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 4182 1 1 1 1 49 PHE Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 4182 1 1 1 1 22 ASN H 7.769 . 8.37 0.65 3.5517e-01 4182 1 1 1 1 22 ASN HA 5.317 . 4.7 0.39 1.1364e-01 4182 1 1 1 1 22 ASN HB2 3.173 . 2.8 0.34 2.7262e-01 4182 1 1 1 1 22 ASN HB3 3.321 . 2.78 0.34 1.1157e-01 4182 1 1 1 1 22 ASN HD21 9.428 M 7.27 0.52 3.3248e-05 4182 1 1 1 1 22 ASN HD22 7.277 . 7.2 0.52 8.8228e-01 4182 1 1 1 1 49 PHE HA 6.517 . 4.62 0.58 1.0729e-03 4182 1 1 1 1 49 PHE HB2 3.121 . 2.99 0.37 7.2330e-01 4182 1 1 1 1 49 PHE HB3 4.049 M 2.97 0.38 4.5188e-03 4182 1 1 1 1 49 PHE HD1 6.870 . 6.91 0.82 9.6109e-01 4182 1 1 1 1 49 PHE HD2 6.870 . 6.89 0.86 9.8145e-01 4182 1 1 1 1 49 PHE HE1 7.155 . 6.95 0.82 8.0259e-01 4182 1 1 1 1 49 PHE HE2 7.150 . 6.94 0.86 8.0709e-01 4182 1 1 1 1 49 PHE HZ 7.403 . 6.92 0.8 5.4601e-01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 4182 _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.Entry_ID _Vendor.Software_ID _Vendor.Name _Vendor.Address _Vendor.Electronic_address 4182 1 "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu stop_ loop_ _Task.Entry_ID _Task.Software_ID _Task.Task 4182 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 4182 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 4182 _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_