data_AVS_bmrb_pdb_report_16019
save_AVS_chem_shift_analysis
_AVS_report.Sf_category AVS_report
_AVS_report.Sf_framecode AVS_chem_shift_analysis
_AVS_report.Entry_ID 16019
_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 17 LYS Anomalous Consistent Consistent Consistent Consistent Anomalous . . 16019 1
1 1 1 40 LYS Anomalous Suspicious Consistent Consistent Suspicious Anomalous . . 16019 1
1 1 1 54 LYS Anomalous Consistent Consistent Consistent Consistent Anomalous . . 16019 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 17 LYS CA 54.750 . 56.95 2.2 3.1731e-01 16019 1
1 1 1 17 LYS CB 36.729 . 32.79 1.78 2.6903e-02 16019 1
1 1 1 17 LYS CG 24.621 . 24.89 1.13 8.1184e-01 16019 1
1 1 1 17 LYS CD 29.190 . 28.96 1.08 8.3136e-01 16019 1
1 1 1 17 LYS CE 42.200 . 41.89 0.82 7.0539e-01 16019 1
1 1 1 17 LYS H 9.064 . 8.19 0.6 1.4521e-01 16019 1
1 1 1 17 LYS HA 4.507 . 4.27 0.44 5.9014e-01 16019 1
1 1 1 17 LYS HB2 1.699 . 1.78 0.25 7.4594e-01 16019 1
1 1 1 17 LYS HB3 1.781 . 1.74 0.27 8.7930e-01 16019 1
1 1 1 17 LYS HG2 1.365 . 1.37 0.26 9.8466e-01 16019 1
1 1 1 17 LYS HG3 1.365 . 1.35 0.28 9.5728e-01 16019 1
1 1 1 17 LYS HD2 1.663 . 1.61 0.22 8.0963e-01 16019 1
1 1 1 17 LYS HD3 1.663 . 1.6 0.22 7.7460e-01 16019 1
1 1 1 17 LYS HE2 2.939 . 2.92 0.19 9.2034e-01 16019 1
1 1 1 17 LYS HE3 2.939 . 2.91 0.2 8.8471e-01 16019 1
1 1 1 17 LYS N 119.301 . 121.05 3.77 6.4270e-01 16019 1
1 1 1 17 LYS NZ 67.949 A 33.81 2.81 5.7993e-34 16019 1
1 1 1 40 LYS CA 60.440 . 56.95 2.2 1.1266e-01 16019 1
1 1 1 40 LYS CB 32.698 . 32.79 1.78 9.5878e-01 16019 1
1 1 1 40 LYS CG 25.393 . 24.89 1.13 6.5622e-01 16019 1
1 1 1 40 LYS CD 21.596 S 28.96 1.08 9.1984e-12 16019 1
1 1 1 40 LYS H 8.553 . 8.19 0.6 5.4518e-01 16019 1
1 1 1 40 LYS HA 3.691 . 4.27 0.44 1.8820e-01 16019 1
1 1 1 40 LYS HB2 2.104 . 1.78 0.25 1.9498e-01 16019 1
1 1 1 40 LYS HB3 2.155 . 1.74 0.27 1.2428e-01 16019 1
1 1 1 40 LYS HG2 1.452 . 1.37 0.26 7.5247e-01 16019 1
1 1 1 40 LYS HG3 1.452 . 1.35 0.28 7.1564e-01 16019 1
1 1 1 40 LYS N 119.038 . 121.05 3.77 5.9356e-01 16019 1
1 1 1 40 LYS NZ 61.227 A 33.81 2.81 1.7228e-22 16019 1
1 1 1 54 LYS CA 55.461 . 56.95 2.2 4.9852e-01 16019 1
1 1 1 54 LYS CB 34.042 . 32.79 1.78 4.8182e-01 16019 1
1 1 1 54 LYS CG 24.754 . 24.89 1.13 9.0420e-01 16019 1
1 1 1 54 LYS CD 29.861 . 28.96 1.08 4.0414e-01 16019 1
1 1 1 54 LYS CE 42.285 . 41.89 0.82 6.3001e-01 16019 1
1 1 1 54 LYS H 7.663 . 8.19 0.6 3.7976e-01 16019 1
1 1 1 54 LYS HA 5.414 . 4.27 0.44 9.3224e-03 16019 1
1 1 1 54 LYS HB2 2.280 . 1.78 0.25 4.5500e-02 16019 1
1 1 1 54 LYS HB3 1.385 . 1.74 0.27 1.8857e-01 16019 1
1 1 1 54 LYS HG2 1.309 . 1.37 0.26 8.1451e-01 16019 1
1 1 1 54 LYS HG3 1.739 . 1.35 0.28 1.6475e-01 16019 1
1 1 1 54 LYS HD2 1.643 . 1.61 0.22 8.8076e-01 16019 1
1 1 1 54 LYS HD3 1.643 . 1.6 0.22 8.4504e-01 16019 1
1 1 1 54 LYS HE2 3.069 . 2.92 0.19 4.3292e-01 16019 1
1 1 1 54 LYS HE3 3.069 . 2.91 0.2 4.2661e-01 16019 1
1 1 1 54 LYS N 118.979 . 121.05 3.77 5.8277e-01 16019 1
1 1 1 54 LYS NZ 60.939 A 33.81 2.81 4.7069e-22 16019 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 17 LYS LYS 0.66 16019 1
1 1 1 17 LYS ARG 0.27 16019 1
1 1 1 17 LYS GLY 0.04 16019 1
1 1 1 17 LYS ALA 0.01 16019 1
1 1 1 40 LYS VAL 0.99 16019 1
1 1 1 54 LYS LYS 0.77 16019 1
1 1 1 54 LYS ARG 0.19 16019 1
1 1 1 54 LYS GLY 0.01 16019 1
stop_
save_
save_AVS
_Software.Sf_category software
_Software.Sf_framecode AVS
_Software.Entry_ID 16019
_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 16019 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
"validate protein chemical shift assignments" 16019 1
stop_
loop_
_Software_citation.Citation_ID
_Software_citation.Citation_label
_Software_citation.Entry_ID
_Software_citation.Software_ID
2 $AVS_citation 16019 1
stop_
save_
save_AVS_citation
_Citation.Sf_category citation
_Citation.Sf_framecode AVS_citation
_Citation.Entry_ID 16019
_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_