data_AVS_bmrb_pdb_report_19234 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 19234 _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 30 TRP Anomalous Suspicious Suspicious Consistent Anomalous Consistent "CA > CB" 1.0000 19234 1 1 1 1 30 TRP . . . . . . "CE3 > CB" 1.0000 19234 1 1 1 1 30 TRP . . . . . . "CZ2 > CB" 1.0000 19234 1 1 1 1 56 ASN Anomalous Consistent Consistent Anomalous Consistent Consistent . . 19234 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 30 TRP CA 54.303 . 57.66 2.58 1.9320e-01 19234 1 1 1 1 30 TRP CB 123.643 A 30.01 2.01 0.0000e+00 19234 1 1 1 1 30 TRP CD1 128.556 . 126.51 1.83 2.6355e-01 19234 1 1 1 1 30 TRP CE3 120.546 . 120.43 1.79 9.4833e-01 19234 1 1 1 1 30 TRP CZ2 115.017 . 114.26 1.12 4.9911e-01 19234 1 1 1 1 30 TRP CH2 123.715 . 123.86 1.42 9.1867e-01 19234 1 1 1 1 30 TRP H 8.266 . 8.29 0.79 9.7576e-01 19234 1 1 1 1 30 TRP HA 6.226 . 4.68 0.53 3.5344e-03 19234 1 1 1 1 30 TRP HB2 3.244 . 3.19 0.35 8.7738e-01 19234 1 1 1 1 30 TRP HB3 2.939 . 3.12 0.36 6.1512e-01 19234 1 1 1 1 30 TRP HD1 7.169 . 7.14 0.36 9.3580e-01 19234 1 1 1 1 30 TRP HE1 10.198 . 10.08 0.66 8.5810e-01 19234 1 1 1 1 30 TRP HE3 6.900 . 7.31 0.41 3.1731e-01 19234 1 1 1 1 30 TRP HZ2 7.479 . 7.28 0.33 5.4649e-01 19234 1 1 1 1 30 TRP HH2 6.961 . 6.98 0.39 9.6114e-01 19234 1 1 1 1 30 TRP N 118.168 . 121.68 4.18 4.0080e-01 19234 1 1 1 1 30 TRP NE1 130.058 . 129.32 2.11 7.2652e-01 19234 1 1 1 1 56 ASN CA 53.686 . 53.54 1.88 9.3810e-01 19234 1 1 1 1 56 ASN CB 39.376 . 38.69 1.69 6.8480e-01 19234 1 1 1 1 56 ASN H 9.246 . 8.34 0.63 1.5041e-01 19234 1 1 1 1 56 ASN HA 4.685 . 4.67 0.36 9.6676e-01 19234 1 1 1 1 56 ASN HB2 3.192 . 2.81 0.31 2.1785e-01 19234 1 1 1 1 56 ASN HB3 2.282 . 2.75 0.33 1.5614e-01 19234 1 1 1 1 56 ASN HD21 111.320 A 7.35 0.48 0.0000e+00 19234 1 1 1 1 56 ASN HD22 111.320 A 7.14 0.49 0.0000e+00 19234 1 1 1 1 56 ASN N 119.935 . 118.93 4.03 8.0307e-01 19234 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 30 TRP TYR 0.99 19234 1 1 1 1 56 ASN ASN 0.39 19234 1 1 1 1 56 ASN ASP 0.24 19234 1 1 1 1 56 ASN PHE 0.09 19234 1 1 1 1 56 ASN TYR 0.08 19234 1 1 1 1 56 ASN CYS 0.08 19234 1 1 1 1 56 ASN LEU 0.08 19234 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 19234 _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 19234 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 19234 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 19234 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 19234 _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_