data_AVS_bmrb_pdb_report_5719
save_AVS_chem_shift_analysis
_AVS_report.Sf_category AVS_report
_AVS_report.Sf_framecode AVS_chem_shift_analysis
_AVS_report.Entry_ID 5719
_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
5719 1 1 1 1 41 TRP 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
5719 1 1 1 1 41 TRP C 178.497 . 176.1 1.89 2.0471e-01
5719 1 1 1 1 41 TRP CA 61.584 . 57.71 2.65 1.4377e-01
5719 1 1 1 1 41 TRP CB 28.611 . 30.16 2.19 4.7938e-01
5719 1 1 1 1 41 TRP CD1 127.995 . 126.16 1.76 2.9713e-01
5719 1 1 1 1 41 TRP CE2 177.710 M 137.38 2.86 3.7232e-45
5719 1 1 1 1 41 TRP CE3 120.182 . 120.38 1.5 8.9498e-01
5719 1 1 1 1 41 TRP CZ2 115.182 . 114.19 1.09 3.6277e-01
5719 1 1 1 1 41 TRP CZ3 128.464 S 121.57 1.76 8.9641e-05
5719 1 1 1 1 41 TRP CH2 123.307 . 123.75 1.34 7.4095e-01
5719 1 1 1 1 41 TRP H 7.919 . 8.35 0.84 6.0788e-01
5719 1 1 1 1 41 TRP HA 4.356 . 4.74 0.55 4.8506e-01
5719 1 1 1 1 41 TRP HB2 3.724 . 3.22 0.36 1.6151e-01
5719 1 1 1 1 41 TRP HB3 3.861 . 3.18 0.36 5.8536e-02
5719 1 1 1 1 41 TRP HD1 7.726 . 7.16 0.34 9.5971e-02
5719 1 1 1 1 41 TRP HE1 10.415 . 10.13 0.53 5.9076e-01
5719 1 1 1 1 41 TRP HE3 7.163 . 7.17 1.03 9.9458e-01
5719 1 1 1 1 41 TRP HZ2 7.415 . 7.14 0.89 7.5733e-01
5719 1 1 1 1 41 TRP HZ3 7.427 . 6.68 1.02 4.6395e-01
5719 1 1 1 1 41 TRP HH2 7.126 . 6.82 0.94 7.4478e-01
5719 1 1 1 1 41 TRP N 121.431 . 121.87 4.58 9.2364e-01
5719 1 1 1 1 41 TRP NE1 130.443 . 129.48 2.56 7.0679e-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
5719 1 1 1 1 41 TRP HIS 0.94
5719 1 1 1 1 41 TRP TRP 0.05
stop_
save_
save_AVS
_Software.Sf_category software
_Software.Sf_framecode AVS
_Software.Entry_ID 5719
_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
5719 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
5719 1 "validate protein chemical shift assignments"
stop_
loop_
_Software_citation.Entry_ID
_Software_citation.Software_ID
_Software_citation.Citation_ID
_Software_citation.Citation_label
5719 1 2 $AVS_citation
stop_
save_
save_AVS_citation
_Citation.Sf_category citation
_Citation.Sf_framecode AVS_citation
_Citation.Entry_ID 5719
_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_