data_AVS_bmrb_pdb_report_15156
save_AVS_chem_shift_analysis
_AVS_report.Sf_category AVS_report
_AVS_report.Sf_framecode AVS_chem_shift_analysis
_AVS_report.Entry_ID 15156
_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 1 MET Anomalous Consistent Consistent Indeterminable Duplicate Anomalous . . 15156 1
1 1 1 13 LYS Anomalous Consistent Consistent Consistent Duplicate Anomalous . . 15156 1
1 1 1 28 LYS Anomalous Consistent Consistent Consistent Duplicate Anomalous . . 15156 1
1 1 1 31 LYS Anomalous Consistent Consistent Consistent Duplicate Anomalous . . 15156 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 1 MET C 171.36 D 176.3 2.13 2.0382e-02 15156 1
1 1 1 1 MET CA 54.33 . 56.16 2.34 4.3418e-01 15156 1
1 1 1 1 MET CB 32.50 . 32.9 2.23 8.5765e-01 15156 1
1 1 1 1 MET CG 30.25 . 32.07 1.45 2.0942e-01 15156 1
1 1 1 1 MET CE 15.87 . 17.21 3.42 6.9520e-01 15156 1
1 1 1 1 MET N 39.95 A 120.1 3.88 0.0000e+00 15156 1
1 1 1 13 LYS C 175.83 D 176.46 2.05 7.5860e-01 15156 1
1 1 1 13 LYS CA 53.34 . 56.84 2.25 1.1981e-01 15156 1
1 1 1 13 LYS CB 38.83 . 32.83 1.88 1.4154e-03 15156 1
1 1 1 13 LYS CG 26.12 . 24.91 1.31 3.5566e-01 15156 1
1 1 1 13 LYS CD 29.76 . 28.78 1.39 4.8079e-01 15156 1
1 1 1 13 LYS CE 43.00 . 41.78 0.98 2.1317e-01 15156 1
1 1 1 13 LYS H 8.835 . 8.22 0.64 3.3658e-01 15156 1
1 1 1 13 LYS N 123.25 D 121.16 4.11 6.1109e-01 15156 1
1 1 1 13 LYS NZ 31.33 A 71.86 52.41 4.3933e-01 15156 1
1 1 1 28 LYS C 179.24 D 176.46 2.05 1.7507e-01 15156 1
1 1 1 28 LYS CA 60.19 . 56.84 2.25 1.3652e-01 15156 1
1 1 1 28 LYS CB 32.79 . 32.83 1.88 9.8303e-01 15156 1
1 1 1 28 LYS CG 26.47 . 24.91 1.31 2.3372e-01 15156 1
1 1 1 28 LYS CD 30.07 . 28.78 1.39 3.5338e-01 15156 1
1 1 1 28 LYS CE 42.282 . 41.78 0.98 6.0848e-01 15156 1
1 1 1 28 LYS H 6.990 . 8.22 0.64 5.4622e-02 15156 1
1 1 1 28 LYS N 117.38 D 121.16 4.11 3.5773e-01 15156 1
1 1 1 28 LYS NZ 32.57 A 71.86 52.41 4.5346e-01 15156 1
1 1 1 31 LYS C 179.57 D 176.46 2.05 1.2925e-01 15156 1
1 1 1 31 LYS CA 60.11 . 56.84 2.25 1.4613e-01 15156 1
1 1 1 31 LYS CB 31.61 . 32.83 1.88 5.1638e-01 15156 1
1 1 1 31 LYS CG 27.25 . 24.91 1.31 7.4057e-02 15156 1
1 1 1 31 LYS CD 29.30 . 28.78 1.39 7.0833e-01 15156 1
1 1 1 31 LYS CE 41.24 . 41.78 0.98 5.8162e-01 15156 1
1 1 1 31 LYS H 9.029 . 8.22 0.64 2.0621e-01 15156 1
1 1 1 31 LYS N 120.76 D 121.16 4.11 9.2247e-01 15156 1
1 1 1 31 LYS NZ 32.20 A 71.86 52.41 4.4921e-01 15156 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 1 MET MET 0.74 15156 1
1 1 1 1 MET ALA 0.24 15156 1
1 1 1 13 LYS GLY 0.9 15156 1
1 1 1 13 LYS LYS 0.07 15156 1
1 1 1 13 LYS MET 0.01 15156 1
1 1 1 28 LYS LYS 0.9 15156 1
1 1 1 28 LYS GLY 0.06 15156 1
1 1 1 28 LYS MET 0.03 15156 1
1 1 1 31 LYS LYS 0.96 15156 1
1 1 1 31 LYS MET 0.02 15156 1
1 1 1 31 LYS GLY 0.01 15156 1
stop_
save_
save_AVS
_Software.Sf_category software
_Software.Sf_framecode AVS
_Software.Entry_ID 15156
_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 15156 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
"validate protein chemical shift assignments" 15156 1
stop_
loop_
_Software_citation.Citation_ID
_Software_citation.Citation_label
_Software_citation.Entry_ID
_Software_citation.Software_ID
2 $AVS_citation 15156 1
stop_
save_
save_AVS_citation
_Citation.Sf_category citation
_Citation.Sf_framecode AVS_citation
_Citation.Entry_ID 15156
_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_