data_AVS_bmrb_pdb_report_16564
save_AVS_chem_shift_analysis
_AVS_report.Sf_category AVS_report
_AVS_report.Sf_framecode AVS_chem_shift_analysis
_AVS_report.Entry_ID 16564
_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 72 ARG Anomalous Consistent Consistent Anomalous Consistent Consistent . . 16564 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 72 ARG C 177.9 . 176.41 2.03 4.6295e-01 16564 1
1 1 1 72 ARG CA 60.0 . 56.77 2.31 1.6203e-01 16564 1
1 1 1 72 ARG CB 28.3 . 30.7 1.83 1.8970e-01 16564 1
1 1 1 72 ARG CG 25.7 . 27.21 1.2 2.0827e-01 16564 1
1 1 1 72 ARG CD 43.2 . 43.16 0.88 9.6375e-01 16564 1
1 1 1 72 ARG CZ 158.8 . 159.97 2.95 6.9165e-01 16564 1
1 1 1 72 ARG H 8.12 . 8.24 0.61 8.4405e-01 16564 1
1 1 1 72 ARG HA 3.08 . 4.3 0.46 7.9975e-03 16564 1
1 1 1 72 ARG HB2 -0.21 S 1.79 0.27 1.2879e-13 16564 1
1 1 1 72 ARG HB3 1.34 . 1.76 0.28 1.3361e-01 16564 1
1 1 1 72 ARG HG2 -0.74 A 1.57 0.27 1.1730e-17 16564 1
1 1 1 72 ARG HG3 0.84 . 1.54 0.29 1.5787e-02 16564 1
1 1 1 72 ARG HD2 2.28 S 3.12 0.24 4.6526e-04 16564 1
1 1 1 72 ARG HD3 2.77 . 3.1 0.26 2.0436e-01 16564 1
1 1 1 72 ARG HE 7.46 . 7.4 0.63 9.2413e-01 16564 1
1 1 1 72 ARG N 118.8 . 120.8 3.68 5.8680e-01 16564 1
1 1 1 72 ARG NE 85.2 . 84.63 1.68 7.3439e-01 16564 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 72 ARG CYS 0.59 16564 1
1 1 1 72 ARG ARG 0.31 16564 1
1 1 1 72 ARG GLY 0.09 16564 1
stop_
save_
save_AVS
_Software.Sf_category software
_Software.Sf_framecode AVS
_Software.Entry_ID 16564
_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 16564 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
"validate protein chemical shift assignments" 16564 1
stop_
loop_
_Software_citation.Citation_ID
_Software_citation.Citation_label
_Software_citation.Entry_ID
_Software_citation.Software_ID
2 $AVS_citation 16564 1
stop_
save_
save_AVS_citation
_Citation.Sf_category citation
_Citation.Sf_framecode AVS_citation
_Citation.Entry_ID 16564
_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_