data_AVS_bmrb_pdb_report_11469
save_AVS_chem_shift_analysis
_AVS_report.Sf_category AVS_report
_AVS_report.Sf_framecode AVS_chem_shift_analysis
_AVS_report.Entry_ID 11469
_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 26 GLN Anomalous Consistent Consistent Anomalous Consistent Consistent . . 11469 1
1 1 2 1 ZN UNSUPPORTED . . . . . . . 11469 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 26 GLN C 174.767 . 176.31 1.95 4.2878e-01 11469 1
1 1 1 26 GLN CA 52.904 . 56.57 2.14 8.6697e-02 11469 1
1 1 1 26 GLN CB 29.063 . 29.19 1.82 9.4437e-01 11469 1
1 1 1 26 GLN CG 32.364 . 33.76 1.11 2.0852e-01 11469 1
1 1 1 26 GLN CD 179.861 . 179.69 1.29 8.9454e-01 11469 1
1 1 1 26 GLN H 7.729 . 8.22 0.59 4.0529e-01 11469 1
1 1 1 26 GLN HA 4.389 . 4.27 0.44 7.8681e-01 11469 1
1 1 1 26 GLN HB2 -0.969 A 2.05 0.25 1.4143e-33 11469 1
1 1 1 26 GLN HB3 1.025 S 2.02 0.28 3.8004e-04 11469 1
1 1 1 26 GLN HG2 1.705 . 2.32 0.27 2.2740e-02 11469 1
1 1 1 26 GLN HG3 0.544 S 2.29 0.29 1.7368e-09 11469 1
1 1 1 26 GLN HE21 6.681 . 7.24 0.45 2.1415e-01 11469 1
1 1 1 26 GLN HE22 7.112 . 7.02 0.44 8.3438e-01 11469 1
1 1 1 26 GLN N 128.364 . 119.89 3.6 1.8578e-02 11469 1
1 1 1 26 GLN NE2 110.947 . 111.87 1.72 5.9152e-01 11469 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 26 GLN GLN 0.55 11469 1
1 1 1 26 GLN CYS 0.44 11469 1
stop_
save_
save_AVS
_Software.Sf_category software
_Software.Sf_framecode AVS
_Software.Entry_ID 11469
_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 11469 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
"validate protein chemical shift assignments" 11469 1
stop_
loop_
_Software_citation.Citation_ID
_Software_citation.Citation_label
_Software_citation.Entry_ID
_Software_citation.Software_ID
2 $AVS_citation 11469 1
stop_
save_
save_AVS_citation
_Citation.Sf_category citation
_Citation.Sf_framecode AVS_citation
_Citation.Entry_ID 11469
_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_