data_AVS_bmrb_pdb_report_7354
save_AVS_chem_shift_analysis
_AVS_report.Sf_category AVS_report
_AVS_report.Sf_framecode AVS_chem_shift_analysis
_AVS_report.Entry_ID 7354
_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 1 DG UNSUPPORTED . . . . . . . 7354 1
1 1 1 2 DA UNSUPPORTED . . . . . . . 7354 1
1 1 1 3 DA UNSUPPORTED . . . . . . . 7354 1
1 1 1 4 DT UNSUPPORTED . . . . . . . 7354 1
1 1 1 5 DT UNSUPPORTED . . . . . . . 7354 1
1 1 1 6 DG UNSUPPORTED . . . . . . . 7354 1
1 1 1 7 DT UNSUPPORTED . . . . . . . 7354 1
1 1 1 8 DA UNSUPPORTED . . . . . . . 7354 1
1 1 1 9 DA UNSUPPORTED . . . . . . . 7354 1
1 1 1 10 DG UNSUPPORTED . . . . . . . 7354 1
1 1 1 11 DC UNSUPPORTED . . . . . . . 7354 1
1 1 1 12 DG UNSUPPORTED . . . . . . . 7354 1
1 1 1 13 DC UNSUPPORTED . . . . . . . 7354 1
1 1 1 14 DT UNSUPPORTED . . . . . . . 7354 1
1 1 1 15 DT UNSUPPORTED . . . . . . . 7354 1
1 1 1 16 DA UNSUPPORTED . . . . . . . 7354 1
1 1 1 17 DC UNSUPPORTED . . . . . . . 7354 1
1 1 1 18 DA UNSUPPORTED . . . . . . . 7354 1
1 1 1 19 DA UNSUPPORTED . . . . . . . 7354 1
1 1 1 20 DT UNSUPPORTED . . . . . . . 7354 1
1 1 1 21 DT UNSUPPORTED . . . . . . . 7354 1
1 1 1 22 DC UNSUPPORTED . . . . . . . 7354 1
1 1 2 35 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 7354 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 2 35 ARG C 177.935 . 176.41 2.03 4.5251e-01 7354 1
1 1 2 35 ARG CA 60.690 . 56.77 2.31 8.9702e-02 7354 1
1 1 2 35 ARG CB 29.705 . 30.7 1.83 5.8664e-01 7354 1
1 1 2 35 ARG CG 25.259 . 27.21 1.2 1.0399e-01 7354 1
1 1 2 35 ARG CD 40.690 . 43.16 0.88 5.0033e-03 7354 1
1 1 2 35 ARG H 8.914 . 8.24 0.61 2.6920e-01 7354 1
1 1 2 35 ARG HA 3.752 . 4.3 0.46 2.3353e-01 7354 1
1 1 2 35 ARG HB2 1.951 . 1.79 0.27 5.5098e-01 7354 1
1 1 2 35 ARG HB3 1.870 . 1.76 0.28 6.9442e-01 7354 1
1 1 2 35 ARG HG2 1.640 . 1.57 0.27 7.9544e-01 7354 1
1 1 2 35 ARG HG3 1.584 . 1.54 0.29 8.7940e-01 7354 1
1 1 2 35 ARG HD2 3.226 . 3.12 0.24 6.5873e-01 7354 1
1 1 2 35 ARG HD3 3.375 . 3.1 0.26 2.9020e-01 7354 1
1 1 2 35 ARG HE 7.582 . 7.4 0.63 7.7267e-01 7354 1
1 1 2 35 ARG HH11 7.559 . 6.91 0.46 1.5828e-01 7354 1
1 1 2 35 ARG HH12 7.559 . 6.8 0.33 2.1448e-02 7354 1
1 1 2 35 ARG N 123.006 . 120.8 3.68 5.4887e-01 7354 1
1 1 2 35 ARG NE 83.702 . 84.63 1.68 5.8069e-01 7354 1
1 1 2 35 ARG NH1 113.702 A 73.82 4.62 6.0042e-18 7354 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 2 35 ARG CYS 0.73 7354 1
1 1 2 35 ARG LYS 0.24 7354 1
stop_
save_
save_AVS
_Software.Sf_category software
_Software.Sf_framecode AVS
_Software.Entry_ID 7354
_Software.ID 1
_Software.Name "AutoPeak - validate_assignments"
_Software.Version 2011-12-10
_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 7354 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
"validate protein chemical shift assignments" 7354 1
stop_
loop_
_Software_citation.Citation_ID
_Software_citation.Citation_label
_Software_citation.Entry_ID
_Software_citation.Software_ID
2 $AVS_citation 7354 1
stop_
save_
save_AVS_citation
_Citation.Sf_category citation
_Citation.Sf_framecode AVS_citation
_Citation.Entry_ID 7354
_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_