data_AVS_bmrb_pdb_report_15585
save_AVS_chem_shift_analysis
_AVS_report.Sf_category AVS_report
_AVS_report.Sf_framecode AVS_chem_shift_analysis
_AVS_report.Entry_ID 15585
_AVS_report.ID 1
_AVS_report.Software_ID 1
_AVS_report.Software_label $AVS
loop_
_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
_AVS_analysis.Entry_ID
_AVS_analysis.AVS_report_ID
1 1 1 10 ARG Anomalous Consistent Consistent Anomalous Consistent Consistent . . 15585 1
1 1 1 61 GLN Anomalous Consistent Consistent Anomalous Consistent Consistent . . 15585 1
stop_
loop_
_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
_AVS_analysis.Entry_ID
_AVS_analysis.AVS_report_ID
1 1 1 10 ARG CA 51.891 . 56.95 2.41 3.5802e-02 15585 1
1 1 1 10 ARG CB 30.299 . 30.66 1.77 8.3839e-01 15585 1
1 1 1 10 ARG CG 25.409 . 27.31 1.65 2.4927e-01 15585 1
1 1 1 10 ARG CD 43.694 . 43.1 1.1 5.8920e-01 15585 1
1 1 1 10 ARG H 8.830 . 8.24 0.6 3.2544e-01 15585 1
1 1 1 10 ARG HA 4.498 . 4.27 0.44 6.0433e-01 15585 1
1 1 1 10 ARG HB2 1.128 . 1.79 0.28 1.8065e-02 15585 1
1 1 1 10 ARG HB3 -0.208 A 1.78 0.28 1.2476e-12 15585 1
1 1 1 10 ARG HG2 0.480 S 1.58 0.27 4.6198e-05 15585 1
1 1 1 10 ARG HG3 0.377 S 1.58 0.27 8.3676e-06 15585 1
1 1 1 10 ARG HD2 2.619 . 3.13 0.23 2.6301e-02 15585 1
1 1 1 10 ARG HD3 2.424 . 3.13 0.22 1.3316e-03 15585 1
1 1 1 10 ARG N 122.632 . 120.61 3.9 6.0414e-01 15585 1
1 1 1 61 GLN C 177.713 . 176.39 1.96 4.9968e-01 15585 1
1 1 1 61 GLN CA 58.692 . 56.62 2.19 3.4409e-01 15585 1
1 1 1 61 GLN CB 27.689 . 29.1 1.97 4.7384e-01 15585 1
1 1 1 61 GLN CG 32.024 . 33.72 1.1 1.2312e-01 15585 1
1 1 1 61 GLN H 7.590 . 8.22 0.62 3.0957e-01 15585 1
1 1 1 61 GLN HA 2.307 A 4.28 0.44 7.3225e-06 15585 1
1 1 1 61 GLN HB2 0.832 S 2.05 0.28 1.3614e-05 15585 1
1 1 1 61 GLN HB3 0.047 S 2.04 0.29 6.3125e-12 15585 1
1 1 1 61 GLN HG2 1.762 . 2.32 0.29 5.4337e-02 15585 1
1 1 1 61 GLN HG3 1.090 S 2.32 0.29 2.2215e-05 15585 1
1 1 1 61 GLN HE21 6.362 . 7.17 0.46 7.8999e-02 15585 1
1 1 1 61 GLN HE22 7.454 . 7.07 0.49 4.3323e-01 15585 1
1 1 1 61 GLN N 122.133 . 119.92 4.01 5.8104e-01 15585 1
1 1 1 61 GLN NE2 110.632 . 111.81 2.2 5.9234e-01 15585 1
stop_
loop_
_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
_AVS_analysis.Entry_ID
_AVS_analysis.AVS_report_ID
1 1 1 10 ARG GLY 0.49 15585 1
1 1 1 10 ARG ARG 0.38 15585 1
1 1 1 10 ARG LYS 0.08 15585 1
1 1 1 10 ARG LEU 0.04 15585 1
1 1 1 61 GLN ARG 0.39 15585 1
1 1 1 61 GLN LYS 0.36 15585 1
1 1 1 61 GLN GLN 0.14 15585 1
1 1 1 61 GLN MET 0.04 15585 1
1 1 1 61 GLN PRO 0.02 15585 1
1 1 1 61 GLN GLU 0.01 15585 1
stop_
save_
save_AVS
_Software.Sf_category software
_Software.Sf_framecode AVS
_Software.Entry_ID 15585
_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.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
"Hunter Moseley"
;
Center for Advanced Biotechnology and Medicine
Rutgers University
679 Hoes Lane, Piscataway NJ 08854-5638
;
hunter@cabm.rutgers.edu 15585 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
"validate protein chemical shift assignments" 15585 1
stop_
loop_
_Software_citation.Citation_ID
_Software_citation.Citation_label
_Software_citation.Entry_ID
_Software_citation.Software_ID
2 $AVS_citation 15585 1
stop_
save_
save_AVS_citation
_Citation.Sf_category citation
_Citation.Sf_framecode AVS_citation
_Citation.Entry_ID 15585
_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_