data_AVS_bmrb_pdb_report_6549
save_AVS_chem_shift_analysis
_AVS_report.Sf_category AVS_report
_AVS_report.Sf_framecode AVS_chem_shift_analysis
_AVS_report.Entry_ID 6549
_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
6549 1 1 1 1 117 HIS Anomalous Consistent Consistent Consistent Anomalous Consistent . .
6549 1 1 1 1 140 GLY Anomalous Consistent Consistent Consistent Consistent Anomalous . .
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
6549 1 1 1 1 117 HIS C 180.09 M 175.19 2.14 2.2038e-02
6549 1 1 1 1 117 HIS CA 63.13 . 56.37 2.4 4.8525e-03
6549 1 1 1 1 117 HIS CB 28.55 . 29.95 2.15 5.1494e-01
6549 1 1 1 1 117 HIS H 8.79 . 8.25 0.74 4.6556e-01
6549 1 1 1 1 117 HIS N 118.21 . 119.44 4.52 7.8553e-01
6549 1 1 1 1 140 GLY C 170.8 . 174.04 1.94 9.4899e-02
6549 1 1 1 1 140 GLY CA 42.08 . 45.33 1.42 2.2095e-02
6549 1 1 1 1 140 GLY H 7.72 . 8.34 0.74 4.0212e-01
6549 1 1 1 1 140 GLY N 136.67 M 109.91 4.29 4.4387e-10
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
6549 1 1 1 1 117 HIS ILE 0.48
6549 1 1 1 1 117 HIS PRO 0.29
6549 1 1 1 1 117 HIS CYS 0.1
6549 1 1 1 1 117 HIS VAL 0.05
6549 1 1 1 1 117 HIS ARG 0.01
6549 1 1 1 1 117 HIS GLU 0.01
6549 1 1 1 1 117 HIS LYS 0.01
6549 1 1 1 1 140 GLY LEU 0.26
6549 1 1 1 1 140 GLY LYS 0.23
6549 1 1 1 1 140 GLY ASP 0.12
6549 1 1 1 1 140 GLY ARG 0.1
6549 1 1 1 1 140 GLY PHE 0.08
6549 1 1 1 1 140 GLY CYS 0.07
6549 1 1 1 1 140 GLY TYR 0.05
6549 1 1 1 1 140 GLY ILE 0.02
6549 1 1 1 1 140 GLY ASN 0.01
stop_
save_
save_AVS
_Software.Sf_category software
_Software.Sf_framecode AVS
_Software.Entry_ID 6549
_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
6549 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
6549 1 "validate protein chemical shift assignments"
stop_
loop_
_Software_citation.Entry_ID
_Software_citation.Software_ID
_Software_citation.Citation_ID
_Software_citation.Citation_label
6549 1 2 $AVS_citation
stop_
save_
save_AVS_citation
_Citation.Sf_category citation
_Citation.Sf_framecode AVS_citation
_Citation.Entry_ID 6549
_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_