data_AVS_bmrb_pdb_report_15607 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15607 _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 1 191 LYS Anomalous Consistent Suspicious Anomalous Consistent Consistent "HE2 > HB3" 0.9957 15607 1 1 1 1 254 GLN Anomalous Consistent Consistent Anomalous Consistent Consistent . . 15607 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 1 191 LYS CA 55.83 . 56.84 2.25 6.5351e-01 15607 1 1 1 1 191 LYS CB 34.92 . 32.83 1.88 2.6627e-01 15607 1 1 1 1 191 LYS CG 23 . 24.91 1.31 1.4484e-01 15607 1 1 1 1 191 LYS CD 28.89 . 28.78 1.39 9.3692e-01 15607 1 1 1 1 191 LYS CE 40.39 . 41.78 0.98 1.5608e-01 15607 1 1 1 1 191 LYS H 7.691 . 8.22 0.64 4.0849e-01 15607 1 1 1 1 191 LYS HA 4.258 . 4.28 0.45 9.6101e-01 15607 1 1 1 1 191 LYS HB3 0.94 . 1.78 0.26 1.2346e-03 15607 1 1 1 1 191 LYS HG3 0.278 S 1.37 0.29 1.6620e-04 15607 1 1 1 1 191 LYS HD3 0.434 S 1.61 0.25 2.5511e-06 15607 1 1 1 1 191 LYS HE2 0.89 A 2.93 0.2 1.9827e-24 15607 1 1 1 1 191 LYS N 117.62 . 121.16 4.11 3.8907e-01 15607 1 1 1 1 254 GLN CA 55.155 . 56.62 2.19 5.0353e-01 15607 1 1 1 1 254 GLN CB 31.585 . 29.1 1.97 2.0716e-01 15607 1 1 1 1 254 GLN CG 31.56 . 33.72 1.1 4.9572e-02 15607 1 1 1 1 254 GLN H 8.463 . 8.22 0.62 6.9511e-01 15607 1 1 1 1 254 GLN HA 4.832 . 4.28 0.44 2.0964e-01 15607 1 1 1 1 254 GLN HB2 2.172 . 2.05 0.28 6.6304e-01 15607 1 1 1 1 254 GLN HG2 2.388 . 2.32 0.29 8.1461e-01 15607 1 1 1 1 254 GLN HE21 6.647 . 7.17 0.46 2.5556e-01 15607 1 1 1 1 254 GLN HE22 9.572 A 7.07 0.49 3.2884e-07 15607 1 1 1 1 254 GLN N 117.468 . 119.92 4.01 5.4089e-01 15607 1 1 1 1 254 GLN NE2 118.006 . 111.81 2.2 4.8571e-03 15607 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 1 191 LYS LYS 0.73 15607 1 1 1 1 191 LYS MET 0.15 15607 1 1 1 1 191 LYS ALA 0.07 15607 1 1 1 1 191 LYS ARG 0.02 15607 1 1 1 1 254 GLN MET 0.7 15607 1 1 1 1 254 GLN LYS 0.13 15607 1 1 1 1 254 GLN GLN 0.09 15607 1 1 1 1 254 GLN ARG 0.04 15607 1 1 1 1 254 GLN GLU 0.01 15607 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15607 _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 15607 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 15607 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 15607 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15607 _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_