data_AVS_bmrb_pdb_report_17110
save_AVS_chem_shift_analysis
_AVS_report.Sf_category AVS_report
_AVS_report.Sf_framecode AVS_chem_shift_analysis
_AVS_report.Entry_ID 17110
_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 82 GLN Anomalous Consistent Consistent Consistent Consistent Anomalous . . 17110 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 82 GLN C 174.134 . 176.31 1.95 2.6447e-01 17110 1
1 1 1 82 GLN CA 58.150 . 56.57 2.14 4.6032e-01 17110 1
1 1 1 82 GLN CB 27.407 . 29.19 1.82 3.2725e-01 17110 1
1 1 1 82 GLN CG 34.612 . 33.76 1.11 4.4274e-01 17110 1
1 1 1 82 GLN H 6.831 . 8.22 0.59 1.8561e-02 17110 1
1 1 1 82 GLN HA 3.563 . 4.27 0.44 1.0809e-01 17110 1
1 1 1 82 GLN HB2 2.495 . 2.05 0.25 7.5076e-02 17110 1
1 1 1 82 GLN HB3 2.370 . 2.02 0.28 2.1130e-01 17110 1
1 1 1 82 GLN HG2 2.385 . 2.32 0.27 8.0976e-01 17110 1
1 1 1 82 GLN HG3 2.296 . 2.29 0.29 9.8349e-01 17110 1
1 1 1 82 GLN HE21 7.621 . 7.24 0.45 3.9718e-01 17110 1
1 1 1 82 GLN HE22 6.881 . 7.02 0.44 7.5207e-01 17110 1
1 1 1 82 GLN N 103.877 A 119.89 3.6 8.6651e-06 17110 1
1 1 1 82 GLN NE2 111.682 . 111.87 1.72 9.1296e-01 17110 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 82 GLN CYS 0.39 17110 1
1 1 1 82 GLN GLN 0.23 17110 1
1 1 1 82 GLN LYS 0.13 17110 1
1 1 1 82 GLN GLU 0.1 17110 1
1 1 1 82 GLN ARG 0.07 17110 1
1 1 1 82 GLN ILE 0.05 17110 1
stop_
save_
save_AVS
_Software.Sf_category software
_Software.Sf_framecode AVS
_Software.Entry_ID 17110
_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 17110 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
"validate protein chemical shift assignments" 17110 1
stop_
loop_
_Software_citation.Citation_ID
_Software_citation.Citation_label
_Software_citation.Entry_ID
_Software_citation.Software_ID
2 $AVS_citation 17110 1
stop_
save_
save_AVS_citation
_Citation.Sf_category citation
_Citation.Sf_framecode AVS_citation
_Citation.Entry_ID 17110
_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_