data_AVS_bmrb_pdb_report_19214 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 19214 _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 22 LYS Anomalous Suspicious Consistent Suspicious Anomalous Consistent . . 19214 1 1 1 1 127 ALA Anomalous Consistent Consistent Anomalous Consistent Suspicious . . 19214 1 1 1 2 1 CYC UNSUPPORTED . . . . . . . 19214 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 22 LYS C 180.083 . 176.64 2 8.5160e-02 19214 1 1 1 1 22 LYS CA 58.219 . 56.95 2.2 5.6406e-01 19214 1 1 1 1 22 LYS CB 31.697 . 32.79 1.78 5.3919e-01 19214 1 1 1 1 22 LYS CG 25.300 . 24.89 1.13 7.1673e-01 19214 1 1 1 1 22 LYS CD 41.900 A 28.96 1.08 4.4431e-33 19214 1 1 1 1 22 LYS H 8.806 . 8.19 0.6 3.0458e-01 19214 1 1 1 1 22 LYS HA 4.170 . 4.27 0.44 8.2021e-01 19214 1 1 1 1 22 LYS HB2 1.839 . 1.78 0.25 8.1343e-01 19214 1 1 1 1 22 LYS HB3 1.996 . 1.74 0.27 3.4305e-01 19214 1 1 1 1 22 LYS HG3 1.603 . 1.35 0.28 3.6622e-01 19214 1 1 1 1 22 LYS HD2 2.860 S 1.61 0.22 1.3327e-08 19214 1 1 1 1 22 LYS HD3 2.940 S 1.6 0.22 1.1227e-09 19214 1 1 1 1 22 LYS N 118.092 . 121.05 3.77 4.3268e-01 19214 1 1 1 1 127 ALA C 177.422 . 177.74 2.13 8.8132e-01 19214 1 1 1 1 127 ALA CA 52.406 . 53.14 1.98 7.1086e-01 19214 1 1 1 1 127 ALA CB 19.553 . 19.01 1.83 7.6668e-01 19214 1 1 1 1 127 ALA H 11.550 A 8.2 0.6 2.3595e-08 19214 1 1 1 1 127 ALA HA 4.617 . 4.26 0.44 4.1716e-01 19214 1 1 1 1 127 ALA HB1 -0.103 S 1.35 0.26 2.2909e-08 19214 1 1 1 1 127 ALA HB2 -0.103 S 1.35 0.26 2.2909e-08 19214 1 1 1 1 127 ALA HB3 -0.103 S 1.35 0.26 2.2909e-08 19214 1 1 1 1 127 ALA N 136.582 S 123.23 3.54 1.6211e-04 19214 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 22 LYS CYS 0.78 19214 1 1 1 1 22 LYS ARG 0.2 19214 1 1 1 1 127 ALA ALA 0.89 19214 1 1 1 1 127 ALA MET 0.07 19214 1 1 1 1 127 ALA CYS 0.02 19214 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 19214 _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 19214 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 19214 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 19214 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 19214 _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_