data_AVS_bmrb_pdb_report_16463 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16463 _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 36 LYS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 16463 1 1 1 1 54 ILE Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16463 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 36 LYS C 175.338 . 176.46 2.05 5.8416e-01 16463 1 1 1 1 36 LYS CA 55.240 . 56.84 2.25 4.7702e-01 16463 1 1 1 1 36 LYS CB 35.106 . 32.83 1.88 2.2603e-01 16463 1 1 1 1 36 LYS CG 25.086 . 24.91 1.31 8.9313e-01 16463 1 1 1 1 36 LYS CD 27.888 . 28.78 1.39 5.2105e-01 16463 1 1 1 1 36 LYS CE 41.894 . 41.78 0.98 9.0739e-01 16463 1 1 1 1 36 LYS H 8.020 . 8.22 0.64 7.5466e-01 16463 1 1 1 1 36 LYS HA 4.519 . 4.28 0.45 5.9534e-01 16463 1 1 1 1 36 LYS HB2 1.598 . 1.79 0.25 4.4249e-01 16463 1 1 1 1 36 LYS HB3 1.215 . 1.78 0.26 2.9775e-02 16463 1 1 1 1 36 LYS HG2 0.812 . 1.38 0.27 3.5404e-02 16463 1 1 1 1 36 LYS HG3 0.812 . 1.37 0.29 5.4337e-02 16463 1 1 1 1 36 LYS HD2 0.419 S 1.61 0.25 1.8979e-06 16463 1 1 1 1 36 LYS HD3 -0.011 A 1.61 0.25 8.9322e-11 16463 1 1 1 1 36 LYS HE2 2.102 S 2.93 0.2 3.4731e-05 16463 1 1 1 1 36 LYS HE3 2.102 S 2.93 0.2 3.4731e-05 16463 1 1 1 1 36 LYS N 118.954 . 121.16 4.11 5.9145e-01 16463 1 1 1 1 54 ILE C 173.565 . 175.82 1.95 2.4751e-01 16463 1 1 1 1 54 ILE CA 57.920 . 61.59 2.78 1.8679e-01 16463 1 1 1 1 54 ILE CB 44.610 A 38.58 2.09 3.9121e-03 16463 1 1 1 1 54 ILE CG1 28.429 . 27.65 2.32 7.3704e-01 16463 1 1 1 1 54 ILE CG2 18.296 . 17.36 1.6 5.5855e-01 16463 1 1 1 1 54 ILE CD1 12.914 . 13.41 1.91 7.9511e-01 16463 1 1 1 1 54 ILE H 7.350 . 8.26 0.71 1.9995e-01 16463 1 1 1 1 54 ILE HA 5.123 . 4.2 0.56 9.9309e-02 16463 1 1 1 1 54 ILE HB 1.579 . 1.8 0.31 4.7591e-01 16463 1 1 1 1 54 ILE HG12 1.395 . 1.3 0.4 8.1227e-01 16463 1 1 1 1 54 ILE HG13 0.924 . 1.24 0.4 4.2953e-01 16463 1 1 1 1 54 ILE HG21 0.720 . 0.8 0.29 7.8265e-01 16463 1 1 1 1 54 ILE HG22 0.720 . 0.8 0.29 7.8265e-01 16463 1 1 1 1 54 ILE HG23 0.720 . 0.8 0.29 7.8265e-01 16463 1 1 1 1 54 ILE HD11 0.529 . 0.7 0.3 5.6868e-01 16463 1 1 1 1 54 ILE HD12 0.529 . 0.7 0.3 5.6868e-01 16463 1 1 1 1 54 ILE HD13 0.529 . 0.7 0.3 5.6868e-01 16463 1 1 1 1 54 ILE N 118.513 . 121.6 4.72 5.1310e-01 16463 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 36 LYS CYS 0.44 16463 1 1 1 1 36 LYS LYS 0.43 16463 1 1 1 1 36 LYS ARG 0.11 16463 1 1 1 1 54 ILE CYS 0.48 16463 1 1 1 1 54 ILE GLY 0.42 16463 1 1 1 1 54 ILE ALA 0.04 16463 1 1 1 1 54 ILE ILE 0.04 16463 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16463 _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.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 16463 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16463 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16463 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16463 _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_