data_AVS_bmrb_pdb_report_6821
save_AVS_chem_shift_analysis
_AVS_report.Sf_category AVS_report
_AVS_report.Sf_framecode AVS_chem_shift_analysis
_AVS_report.Entry_ID 6821
_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
6821 1 1 1 1 79 ARG Anomalous Indeterminable Consistent Anomalous Consistent Consistent . .
6821 1 1 1 1 115 ARG 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
6821 1 1 1 1 79 ARG C 172.797 . 176.49 2.16 8.7317e-02
6821 1 1 1 1 79 ARG H 6.974 . 8.24 0.6 3.4858e-02
6821 1 1 1 1 79 ARG HA 4.665 . 4.27 0.44 3.6933e-01
6821 1 1 1 1 79 ARG HB2 1.974 . 1.79 0.28 5.1109e-01
6821 1 1 1 1 79 ARG HB3 1.624 . 1.78 0.28 5.7743e-01
6821 1 1 1 1 79 ARG HG2 3.219 M 1.58 0.27 1.2762e-09
6821 1 1 1 1 79 ARG HG3 3.219 M 1.58 0.27 1.2762e-09
6821 1 1 1 1 79 ARG HD2 3.382 . 3.13 0.23 2.7323e-01
6821 1 1 1 1 79 ARG HD3 3.382 . 3.13 0.22 2.5202e-01
6821 1 1 1 1 79 ARG N 119.093 . 120.61 3.9 6.9729e-01
6821 1 1 1 1 115 ARG C 171.886 . 176.49 2.16 3.3050e-02
6821 1 1 1 1 115 ARG CA 52.568 . 56.95 2.41 6.9025e-02
6821 1 1 1 1 115 ARG H 7.408 . 8.24 0.6 1.6554e-01
6821 1 1 1 1 115 ARG HA 4.446 . 4.27 0.44 6.8916e-01
6821 1 1 1 1 115 ARG HB2 1.155 . 1.79 0.28 2.3338e-02
6821 1 1 1 1 115 ARG HB3 1.117 . 1.78 0.28 1.7891e-02
6821 1 1 1 1 115 ARG HG2 0.947 . 1.58 0.27 1.9055e-02
6821 1 1 1 1 115 ARG HG3 0.947 . 1.58 0.27 1.9055e-02
6821 1 1 1 1 115 ARG HD2 2.225 S 3.13 0.23 8.3272e-05
6821 1 1 1 1 115 ARG HD3 1.165 M 3.13 0.22 4.1906e-19
6821 1 1 1 1 115 ARG N 118.801 . 120.61 3.9 6.4276e-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
6821 1 1 1 1 115 ARG ALA 0.3
6821 1 1 1 1 115 ARG ASN 0.25
6821 1 1 1 1 115 ARG ASP 0.13
6821 1 1 1 1 115 ARG LEU 0.06
6821 1 1 1 1 115 ARG CYS 0.06
6821 1 1 1 1 115 ARG HIS 0.04
6821 1 1 1 1 115 ARG ARG 0.02
6821 1 1 1 1 115 ARG GLN 0.02
6821 1 1 1 1 115 ARG LYS 0.02
6821 1 1 1 1 115 ARG TRP 0.02
6821 1 1 1 1 115 ARG PHE 0.01
6821 1 1 1 1 115 ARG PRO 0.01
6821 1 1 1 1 115 ARG GLU 0.01
stop_
save_
save_AVS
_Software.Sf_category software
_Software.Sf_framecode AVS
_Software.Entry_ID 6821
_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
6821 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
6821 1 "validate protein chemical shift assignments"
stop_
loop_
_Software_citation.Entry_ID
_Software_citation.Software_ID
_Software_citation.Citation_ID
_Software_citation.Citation_label
6821 1 2 $AVS_citation
stop_
save_
save_AVS_citation
_Citation.Sf_category citation
_Citation.Sf_framecode AVS_citation
_Citation.Entry_ID 6821
_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_