data_AVS_bmrb_pdb_report_5388 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 5388 _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 5388 1 1 1 1 44 GLU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 5388 1 1 1 1 9 LYS 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 5388 1 1 1 1 44 GLU C 175.3 . 176.93 2.11 4.3981e-01 5388 1 1 1 1 44 GLU CA 55.6 . 57.42 2.19 4.0595e-01 5388 1 1 1 1 44 GLU CB 30.9 . 30.07 1.84 6.5193e-01 5388 1 1 1 1 44 GLU CG 35.8 . 36.01 1.51 8.8939e-01 5388 1 1 1 1 44 GLU H 7.84 . 8.34 0.61 4.1240e-01 5388 1 1 1 1 44 GLU HA 3.93 . 4.26 0.43 4.4282e-01 5388 1 1 1 1 44 GLU HB2 1.84 . 2.04 0.22 3.6330e-01 5388 1 1 1 1 44 GLU HB3 1.56 . 2.04 0.23 3.6892e-02 5388 1 1 1 1 44 GLU HG2 1.32 S 2.31 0.21 2.4256e-06 5388 1 1 1 1 44 GLU HG3 0.98 M 2.31 0.21 2.3992e-10 5388 1 1 1 1 44 GLU N 126.8 . 120.68 3.68 9.6304e-02 5388 1 1 1 1 9 LYS CA 55.500 . 56.84 2.25 5.5147e-01 5388 1 1 1 1 9 LYS CB 30.500 . 32.83 1.88 2.1521e-01 5388 1 1 1 1 9 LYS CG 24.600 . 24.91 1.31 8.1294e-01 5388 1 1 1 1 9 LYS CD 28.900 . 28.78 1.39 9.3120e-01 5388 1 1 1 1 9 LYS CE 40.200 . 41.78 0.98 1.0691e-01 5388 1 1 1 1 9 LYS H 6.560 . 8.22 0.64 9.4935e-03 5388 1 1 1 1 9 LYS HA 3.290 . 4.28 0.45 2.7807e-02 5388 1 1 1 1 9 LYS HB2 0.700 S 1.79 0.25 1.3006e-05 5388 1 1 1 1 9 LYS HB3 1.110 . 1.78 0.26 9.9684e-03 5388 1 1 1 1 9 LYS HG2 -0.820 M 1.38 0.27 3.6954e-16 5388 1 1 1 1 9 LYS HG3 -0.120 S 1.37 0.29 2.7778e-07 5388 1 1 1 1 9 LYS HD2 0.800 . 1.61 0.25 1.1953e-03 5388 1 1 1 1 9 LYS HD3 0.590 S 1.61 0.25 4.5036e-05 5388 1 1 1 1 9 LYS HE2 2.140 S 2.93 0.2 7.8151e-05 5388 1 1 1 1 9 LYS HE3 1.610 S 2.93 0.2 4.1116e-11 5388 1 1 1 1 9 LYS N 122.700 . 121.16 4.11 7.0789e-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 5388 1 1 1 1 44 GLU GLU 0.47 5388 1 1 1 1 44 GLU MET 0.28 5388 1 1 1 1 44 GLU GLN 0.11 5388 1 1 1 1 44 GLU LYS 0.09 5388 1 1 1 1 44 GLU ILE 0.02 5388 1 1 1 1 9 LYS LYS 0.75 5388 1 1 1 1 9 LYS ARG 0.13 5388 1 1 1 1 9 LYS MET 0.09 5388 1 1 1 1 9 LYS LEU 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 5388 _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 5388 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 5388 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 5388 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 5388 _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_