data_AVS_bmrb_pdb_report_11010
save_AVS_chem_shift_analysis
_AVS_report.Sf_category AVS_report
_AVS_report.Sf_framecode AVS_chem_shift_analysis
_AVS_report.Entry_ID 11010
_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
11010 1 1 1 1 6 CYS Anomalous Consistent Consistent Anomalous Consistent Consistent . .
11010 1 1 1 1 81 CYS Anomalous Consistent Consistent Anomalous Consistent Consistent . .
11010 1 1 1 1 112 LEU Anomalous Consistent Consistent Consistent Consistent Anomalous . .
11010 1 1 1 1 157 CYS Anomalous Consistent Consistent Anomalous Consistent 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
11010 1 1 1 1 6 CYS C 172.549 . 174.78 1.99 2.6224e-01
11010 1 1 1 1 6 CYS CA 55.853 . 57.43 3.41 6.4375e-01
11010 1 1 1 1 6 CYS CB 28.584 . 34.15 6.77 4.1099e-01
11010 1 1 1 1 6 CYS H 9.321 . 8.42 0.66 1.7221e-01
11010 1 1 1 1 6 CYS HA 5.515 . 4.73 0.57 1.6845e-01
11010 1 1 1 1 6 CYS HB2 2.264 . 2.95 0.43 1.1063e-01
11010 1 1 1 1 6 CYS HB3 2.915 . 2.98 0.45 8.8515e-01
11010 1 1 1 1 6 CYS HG 1.024 M 1.66 0.48 1.8517e-01
11010 1 1 1 1 6 CYS N 130.888 . 119.95 4.79 2.2401e-02
11010 1 1 1 1 81 CYS CA 56.841 . 57.43 3.41 8.6287e-01
11010 1 1 1 1 81 CYS CB 30.742 . 34.15 6.77 6.1468e-01
11010 1 1 1 1 81 CYS H 8.861 . 8.42 0.66 5.0402e-01
11010 1 1 1 1 81 CYS HA 5.767 . 4.73 0.57 6.8866e-02
11010 1 1 1 1 81 CYS HB2 2.134 . 2.95 0.43 5.7739e-02
11010 1 1 1 1 81 CYS HB3 2.373 . 2.98 0.45 1.7737e-01
11010 1 1 1 1 81 CYS HG 1.375 M 1.66 0.48 5.5268e-01
11010 1 1 1 1 81 CYS N 123.471 . 119.95 4.79 4.6230e-01
11010 1 1 1 1 112 LEU CA 53.49932 . 55.65 2.21 3.3047e-01
11010 1 1 1 1 112 LEU CG 27.821 . 26.77 1.25 4.0046e-01
11010 1 1 1 1 112 LEU CD1 27.082 . 24.73 1.71 1.6900e-01
11010 1 1 1 1 112 LEU CD2 25.483 . 24.1 1.78 4.3718e-01
11010 1 1 1 1 112 LEU H 8.297 . 8.22 0.65 9.0570e-01
11010 1 1 1 1 112 LEU HA 5.153417 . 4.32 0.47 7.6191e-02
11010 1 1 1 1 112 LEU HB2 1.58 . 1.63 0.34 8.8309e-01
11010 1 1 1 1 112 LEU HB3 2.014 . 1.57 0.36 2.1745e-01
11010 1 1 1 1 112 LEU HG 1.93 . 1.54 0.33 2.3728e-01
11010 1 1 1 1 112 LEU HD1 0.767 . 0.77 0.27 9.9113e-01
11010 1 1 1 1 112 LEU HD2 1.228537 . 0.76 0.28 9.4259e-02
11010 1 1 1 1 112 LEU N 108.107 M 121.98 4.07 6.5297e-04
11010 1 1 1 1 157 CYS C 171.617 . 174.78 1.99 1.1196e-01
11010 1 1 1 1 157 CYS CA 56.11078 . 57.43 3.41 6.9885e-01
11010 1 1 1 1 157 CYS CB 31.914 . 34.15 6.77 7.4119e-01
11010 1 1 1 1 157 CYS H 9.016 . 8.42 0.66 3.6651e-01
11010 1 1 1 1 157 CYS HA 5.167 . 4.73 0.57 4.4328e-01
11010 1 1 1 1 157 CYS HB2 2.318682 . 2.95 0.43 1.4205e-01
11010 1 1 1 1 157 CYS HB3 2.548 . 2.98 0.45 3.3706e-01
11010 1 1 1 1 157 CYS HG 1.126 M 1.66 0.48 2.6592e-01
11010 1 1 1 1 157 CYS N 114.672 . 119.95 4.79 2.7051e-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
11010 1 1 1 1 6 CYS GLN 0.15
11010 1 1 1 1 6 CYS LYS 0.15
11010 1 1 1 1 6 CYS HIS 0.14
11010 1 1 1 1 6 CYS ARG 0.11
11010 1 1 1 1 6 CYS CYS 0.11
11010 1 1 1 1 6 CYS TRP 0.1
11010 1 1 1 1 6 CYS GLU 0.09
11010 1 1 1 1 6 CYS LEU 0.06
11010 1 1 1 1 6 CYS MET 0.02
11010 1 1 1 1 6 CYS ILE 0.01
11010 1 1 1 1 81 CYS ARG 0.14
11010 1 1 1 1 81 CYS HIS 0.13
11010 1 1 1 1 81 CYS TRP 0.13
11010 1 1 1 1 81 CYS GLU 0.13
11010 1 1 1 1 81 CYS CYS 0.12
11010 1 1 1 1 81 CYS GLN 0.1
11010 1 1 1 1 81 CYS MET 0.09
11010 1 1 1 1 81 CYS LYS 0.08
11010 1 1 1 1 81 CYS VAL 0.01
11010 1 1 1 1 81 CYS ILE 0.01
11010 1 1 1 1 112 LEU LEU 0.51
11010 1 1 1 1 112 LEU CYS 0.44
11010 1 1 1 1 112 LEU LYS 0.03
11010 1 1 1 1 157 CYS MET 0.17
11010 1 1 1 1 157 CYS CYS 0.15
11010 1 1 1 1 157 CYS LYS 0.14
11010 1 1 1 1 157 CYS ARG 0.12
11010 1 1 1 1 157 CYS HIS 0.11
11010 1 1 1 1 157 CYS TRP 0.1
11010 1 1 1 1 157 CYS GLU 0.08
11010 1 1 1 1 157 CYS GLN 0.06
11010 1 1 1 1 157 CYS VAL 0.01
stop_
save_
save_AVS
_Software.Sf_category software
_Software.Sf_framecode AVS
_Software.Entry_ID 11010
_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
11010 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
11010 1 "validate protein chemical shift assignments"
stop_
loop_
_Software_citation.Entry_ID
_Software_citation.Software_ID
_Software_citation.Citation_ID
_Software_citation.Citation_label
11010 1 2 $AVS_citation
stop_
save_
save_AVS_citation
_Citation.Sf_category citation
_Citation.Sf_framecode AVS_citation
_Citation.Entry_ID 11010
_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_