data_AVS_bmrb_pdb_report_5219 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 5219 _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 5219 1 1 1 1 155 LYS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 5219 1 1 1 1 210 ILE Anomalous Consistent Consistent Consistent Anomalous Consistent . . 5219 1 1 1 1 238 GLY Anomalous Consistent Consistent Anomalous Consistent Consistent . . 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 5219 1 1 1 1 155 LYS CA 63 M 56.84 2.25 6.1856e-03 5219 1 1 1 1 155 LYS CB 28.8 . 32.83 1.88 3.2064e-02 5219 1 1 1 1 155 LYS H 7.23 . 8.22 0.64 1.2189e-01 5219 1 1 1 1 155 LYS N 120.2 . 121.16 4.11 8.1531e-01 5219 1 1 1 1 210 ILE CA 59.1 . 61.59 2.78 3.7042e-01 5219 1 1 1 1 210 ILE CB 45.7 M 38.58 2.09 6.5754e-04 5219 1 1 1 1 210 ILE H 8.5 . 8.26 0.71 7.3534e-01 5219 1 1 1 1 210 ILE N 119.5 . 121.6 4.72 6.5638e-01 5219 1 1 1 1 238 GLY C 174.4 . 174.04 1.94 8.5278e-01 5219 1 1 1 1 238 GLY CA 45 . 45.33 1.42 8.1623e-01 5219 1 1 1 1 238 GLY H 3.03 M 8.34 0.74 7.1951e-13 5219 1 1 1 1 238 GLY N 108.8 . 109.91 4.29 7.9583e-01 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.PRTL_comp_type _AVS_analysis.PRTL_probability_score 5219 1 1 1 1 155 LYS ILE 0.46 5219 1 1 1 1 155 LYS PRO 0.21 5219 1 1 1 1 155 LYS CYS 0.11 5219 1 1 1 1 155 LYS VAL 0.07 5219 1 1 1 1 155 LYS TRP 0.06 5219 1 1 1 1 155 LYS GLU 0.01 5219 1 1 1 1 155 LYS ARG 0.01 5219 1 1 1 1 155 LYS HIS 0.01 5219 1 1 1 1 210 ILE GLY 0.69 5219 1 1 1 1 210 ILE CYS 0.18 5219 1 1 1 1 210 ILE LEU 0.05 5219 1 1 1 1 210 ILE ARG 0.03 5219 1 1 1 1 210 ILE PHE 0.01 5219 1 1 1 1 210 ILE TYR 0.01 5219 1 1 1 1 238 GLY GLY 0.67 5219 1 1 1 1 238 GLY LEU 0.13 5219 1 1 1 1 238 GLY CYS 0.09 5219 1 1 1 1 238 GLY ARG 0.06 5219 1 1 1 1 238 GLY PHE 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 5219 _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 5219 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 5219 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 5219 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 5219 _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_