data_AVS_bmrb_pdb_report_11277
save_AVS_chem_shift_analysis
_AVS_report.Sf_category AVS_report
_AVS_report.Sf_framecode AVS_chem_shift_analysis
_AVS_report.Entry_ID 11277
_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 13 ARG Anomalous Consistent Suspicious Anomalous Consistent Consistent "HD2 > HB2" 0.9950 11277 1
1 1 1 13 ARG . . . . . . "HD2 > HG2" 0.9976 11277 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 13 ARG C 175.036 . 176.49 2.16 5.0085e-01 11277 1
1 1 1 13 ARG CA 55.746 . 56.95 2.41 6.1737e-01 11277 1
1 1 1 13 ARG CB 32.326 . 30.66 1.77 3.4658e-01 11277 1
1 1 1 13 ARG CG 27.167 . 27.31 1.65 9.3094e-01 11277 1
1 1 1 13 ARG CD 43.526 . 43.1 1.1 6.9855e-01 11277 1
1 1 1 13 ARG H 8.665 . 8.24 0.6 4.7874e-01 11277 1
1 1 1 13 ARG HA 5.031 . 4.27 0.44 8.3712e-02 11277 1
1 1 1 13 ARG HB2 1.509 . 1.79 0.28 3.1559e-01 11277 1
1 1 1 13 ARG HB3 0.772 S 1.78 0.28 3.1822e-04 11277 1
1 1 1 13 ARG HG2 1.454 . 1.58 0.27 6.4074e-01 11277 1
1 1 1 13 ARG HG3 1.122 . 1.58 0.27 8.9830e-02 11277 1
1 1 1 13 ARG HD2 1.391 A 3.13 0.23 4.0038e-14 11277 1
1 1 1 13 ARG HD3 2.464 . 3.13 0.22 2.4677e-03 11277 1
1 1 1 13 ARG N 124.361 . 120.61 3.9 3.3615e-01 11277 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 13 ARG ARG 0.38 11277 1
1 1 1 13 ARG CYS 0.38 11277 1
1 1 1 13 ARG LYS 0.13 11277 1
1 1 1 13 ARG GLY 0.09 11277 1
stop_
save_
save_AVS
_Software.Sf_category software
_Software.Sf_framecode AVS
_Software.Entry_ID 11277
_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 11277 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
"validate protein chemical shift assignments" 11277 1
stop_
loop_
_Software_citation.Citation_ID
_Software_citation.Citation_label
_Software_citation.Entry_ID
_Software_citation.Software_ID
2 $AVS_citation 11277 1
stop_
save_
save_AVS_citation
_Citation.Sf_category citation
_Citation.Sf_framecode AVS_citation
_Citation.Entry_ID 11277
_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_