data_AVS_bmrb_pdb_report_6743
save_AVS_chem_shift_analysis
_AVS_report.Sf_category AVS_report
_AVS_report.Sf_framecode AVS_chem_shift_analysis
_AVS_report.Entry_ID 6743
_AVS_report.ID 1
_AVS_report.Software_ID 1
_AVS_report.Software_label $AVS
loop_
_AVS_analysis.Entry_ID
_AVS_analysis.AVS_report_ID
_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
6743 1 1 1 1 10 ASP Anomalous Consistent Consistent Duplicate Anomalous Duplicate . .
6743 1 1 1 1 54 GLU Anomalous Consistent Consistent Anomalous Duplicate Consistent . .
stop_
loop_
_AVS_analysis.Entry_ID
_AVS_analysis.AVS_report_ID
_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
6743 1 1 1 1 10 ASP C 176.22 D 176.41 1.77 9.1452e-01
6743 1 1 1 1 10 ASP CA 62.33 M 54.52 2.1 1.9998e-04
6743 1 1 1 1 10 ASP CB 40.76 D 40.7 1.67 9.7134e-01
6743 1 1 1 1 10 ASP H 8.16 D 8.33 0.57 7.6552e-01
6743 1 1 1 1 10 ASP HA 4.37 D 4.61 0.31 4.3882e-01
6743 1 1 1 1 10 ASP HB2 2.76 D 2.74 0.29 9.4502e-01
6743 1 1 1 1 10 ASP HB3 2.87 D 2.7 0.29 5.5774e-01
6743 1 1 1 1 10 ASP N 115.55 D 120.73 4.2 2.1745e-01
6743 1 1 1 1 54 GLU C 177.03 D 176.93 2.11 9.6220e-01
6743 1 1 1 1 54 GLU CA 57.27 D 57.42 2.19 9.4539e-01
6743 1 1 1 1 54 GLU CB 30.13 D 30.07 1.84 9.7399e-01
6743 1 1 1 1 54 GLU H 8.06 . 8.34 0.61 6.4622e-01
6743 1 1 1 1 54 GLU HA 4.58 . 4.26 0.43 4.5676e-01
6743 1 1 1 1 54 GLU HB2 3.44 M 2.04 0.22 1.9703e-10
6743 1 1 1 1 54 GLU HB3 3.44 M 2.04 0.23 1.1508e-09
6743 1 1 1 1 54 GLU HG2 3.06 S 2.31 0.21 3.5504e-04
6743 1 1 1 1 54 GLU HG3 3.06 S 2.31 0.21 3.5504e-04
6743 1 1 1 1 54 GLU N 120.51 . 120.68 3.68 9.6315e-01
stop_
loop_
_AVS_analysis.Entry_ID
_AVS_analysis.AVS_report_ID
_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
6743 1 1 1 1 10 ASP ILE 0.5
6743 1 1 1 1 10 ASP PHE 0.27
6743 1 1 1 1 10 ASP TYR 0.18
6743 1 1 1 1 10 ASP LYS 0.02
6743 1 1 1 1 54 GLU GLU 0.19
6743 1 1 1 1 54 GLU TRP 0.19
6743 1 1 1 1 54 GLU ARG 0.18
6743 1 1 1 1 54 GLU GLN 0.16
6743 1 1 1 1 54 GLU LYS 0.12
6743 1 1 1 1 54 GLU MET 0.08
6743 1 1 1 1 54 GLU ILE 0.03
6743 1 1 1 1 54 GLU VAL 0.01
stop_
save_
save_AVS
_Software.Sf_category software
_Software.Sf_framecode AVS
_Software.Entry_ID 6743
_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.Entry_ID
_Vendor.Software_ID
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
6743 1 "Hunter Moseley"
;
Center for Advanced Biotechnology and Medicine
Rutgers University
679 Hoes Lane, Piscataway NJ 08854-5638
;
hunter@cabm.rutgers.edu
stop_
loop_
_Task.Entry_ID
_Task.Software_ID
_Task.Task
6743 1 "validate protein chemical shift assignments"
stop_
loop_
_Software_citation.Entry_ID
_Software_citation.Software_ID
_Software_citation.Citation_ID
_Software_citation.Citation_label
6743 1 2 $AVS_citation
stop_
save_
save_AVS_citation
_Citation.Sf_category citation
_Citation.Sf_framecode AVS_citation
_Citation.Entry_ID 6743
_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_