data_AVS_bmrb_pdb_report_6564
save_AVS_chem_shift_analysis
_AVS_report.Sf_category AVS_report
_AVS_report.Sf_framecode AVS_chem_shift_analysis
_AVS_report.Entry_ID 6564
_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
6564 1 1 1 1 96 THR Anomalous Consistent Consistent Anomalous Consistent Indeterminable . .
6564 1 1 1 1 98 THR Anomalous Consistent Consistent Consistent Anomalous 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
6564 1 1 1 1 96 THR CA 64.6 . 62.15 2.72 3.6773e-01
6564 1 1 1 1 96 THR CB 68.6 . 69.64 1.7 5.4069e-01
6564 1 1 1 1 96 THR CG2 22.3 . 21.44 1.39 5.3611e-01
6564 1 1 1 1 96 THR H 5.70 M 8.27 0.62 3.3957e-05
6564 1 1 1 1 96 THR HA 4.10 . 4.48 0.5 4.4725e-01
6564 1 1 1 1 96 THR HB 4.34 . 4.17 0.37 6.4590e-01
6564 1 1 1 1 96 THR HG2 1.35 . 1.16 0.28 4.9741e-01
6564 1 1 1 1 98 THR CA 69.8 M 62.15 2.72 4.9158e-03
6564 1 1 1 1 98 THR CB 65.7 . 69.64 1.7 2.0469e-02
6564 1 1 1 1 98 THR CG2 22.1 . 21.44 1.39 6.3491e-01
6564 1 1 1 1 98 THR H 7.79 . 8.27 0.62 4.3882e-01
6564 1 1 1 1 98 THR HA 3.75 . 4.48 0.5 1.4429e-01
6564 1 1 1 1 98 THR HB 4.09 . 4.17 0.37 8.2882e-01
6564 1 1 1 1 98 THR HG2 1.02 . 1.16 0.28 6.1707e-01
6564 1 1 1 1 98 THR N 116.6 . 115.7 5.05 8.5855e-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
6564 1 1 1 1 96 THR THR 0.96
6564 1 1 1 1 96 THR CYS 0.03
6564 1 1 1 1 98 THR CYS 0.74
6564 1 1 1 1 98 THR THR 0.25
stop_
save_
save_AVS
_Software.Sf_category software
_Software.Sf_framecode AVS
_Software.Entry_ID 6564
_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
6564 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
6564 1 "validate protein chemical shift assignments"
stop_
loop_
_Software_citation.Entry_ID
_Software_citation.Software_ID
_Software_citation.Citation_ID
_Software_citation.Citation_label
6564 1 2 $AVS_citation
stop_
save_
save_AVS_citation
_Citation.Sf_category citation
_Citation.Sf_framecode AVS_citation
_Citation.Entry_ID 6564
_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_