data_AVS_bmrb_pdb_report_16961
save_AVS_chem_shift_analysis
_AVS_report.Sf_category AVS_report
_AVS_report.Sf_framecode AVS_chem_shift_analysis
_AVS_report.Entry_ID 16961
_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 4 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 16961 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 4 ARG C 175.6 . 176.41 2.03 6.8988e-01 16961 1
1 1 1 4 ARG CA 57.2 . 56.77 2.31 8.5233e-01 16961 1
1 1 1 4 ARG CB 30.7 . 30.7 1.83 1.0000e+00 16961 1
1 1 1 4 ARG CG 27.3 . 27.21 1.2 9.4021e-01 16961 1
1 1 1 4 ARG CD 43.4 . 43.16 0.88 7.8506e-01 16961 1
1 1 1 4 ARG H 7.96 . 8.24 0.61 6.4622e-01 16961 1
1 1 1 4 ARG HA 3.94 . 4.3 0.46 4.3386e-01 16961 1
1 1 1 4 ARG HB2 1.51 . 1.79 0.27 2.9972e-01 16961 1
1 1 1 4 ARG HB3 1.69 . 1.76 0.28 8.0259e-01 16961 1
1 1 1 4 ARG HG2 1.29 . 1.57 0.27 2.9972e-01 16961 1
1 1 1 4 ARG HG3 1.52 . 1.54 0.29 9.4502e-01 16961 1
1 1 1 4 ARG HD2 3.07 . 3.12 0.24 8.3497e-01 16961 1
1 1 1 4 ARG HD3 3.14 . 3.1 0.26 8.7773e-01 16961 1
1 1 1 4 ARG HE 7.75 . 7.4 0.63 5.7851e-01 16961 1
1 1 1 4 ARG N 120.3 . 120.8 3.68 8.9192e-01 16961 1
1 1 1 4 ARG NE 114.2 A 84.63 1.68 2.4120e-69 16961 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 4 ARG ARG 0.78 16961 1
1 1 1 4 ARG GLY 0.11 16961 1
1 1 1 4 ARG LYS 0.1 16961 1
stop_
save_
save_AVS
_Software.Sf_category software
_Software.Sf_framecode AVS
_Software.Entry_ID 16961
_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 16961 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
"validate protein chemical shift assignments" 16961 1
stop_
loop_
_Software_citation.Citation_ID
_Software_citation.Citation_label
_Software_citation.Entry_ID
_Software_citation.Software_ID
2 $AVS_citation 16961 1
stop_
save_
save_AVS_citation
_Citation.Sf_category citation
_Citation.Sf_framecode AVS_citation
_Citation.Entry_ID 16961
_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_