data_AVS_bmrb_pdb_report_6914
save_AVS_chem_shift_analysis
_AVS_report.Sf_category AVS_report
_AVS_report.Sf_framecode AVS_chem_shift_analysis
_AVS_report.Entry_ID 6914
_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
6914 1 1 1 1 45 THR Anomalous Consistent Consistent Consistent Anomalous Consistent . .
6914 1 1 1 1 124 ARG Anomalous Consistent Consistent Consistent Anomalous 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
6914 1 1 1 1 45 THR C 175.80 . 174.6 1.8 5.0499e-01
6914 1 1 1 1 45 THR CA 69.80 M 62.15 2.72 4.9158e-03
6914 1 1 1 1 45 THR CB 68.10 . 69.64 1.7 3.6500e-01
6914 1 1 1 1 45 THR CG2 21.60 . 21.44 1.39 9.0836e-01
6914 1 1 1 1 45 THR H 8.68 . 8.27 0.62 5.0843e-01
6914 1 1 1 1 45 THR HA 3.56 . 4.48 0.5 6.5768e-02
6914 1 1 1 1 45 THR HB 4.16 . 4.17 0.37 9.7844e-01
6914 1 1 1 1 45 THR HG2 1.16 . 1.16 0.28 1.0000e+00
6914 1 1 1 1 45 THR N 119.60 . 115.7 5.05 4.3995e-01
6914 1 1 1 1 124 ARG C 181.70 M 176.49 2.16 1.5864e-02
6914 1 1 1 1 124 ARG CA 59.90 . 56.95 2.41 2.2093e-01
6914 1 1 1 1 124 ARG CB 30.00 . 30.66 1.77 7.0924e-01
6914 1 1 1 1 124 ARG CG 27.30 . 27.31 1.65 9.9516e-01
6914 1 1 1 1 124 ARG CD 43.40 . 43.1 1.1 7.8506e-01
6914 1 1 1 1 124 ARG H 8.40 . 8.24 0.6 7.8973e-01
6914 1 1 1 1 124 ARG HA 4.20 . 4.27 0.44 8.7360e-01
6914 1 1 1 1 124 ARG HB2 1.93 . 1.79 0.28 6.1707e-01
6914 1 1 1 1 124 ARG HG2 1.60 . 1.58 0.27 9.4095e-01
6914 1 1 1 1 124 ARG HG3 1.80 . 1.58 0.27 4.1518e-01
6914 1 1 1 1 124 ARG HD2 3.27 . 3.13 0.23 5.4273e-01
6914 1 1 1 1 124 ARG HD3 3.18 . 3.13 0.22 8.2021e-01
6914 1 1 1 1 124 ARG N 121.20 . 120.61 3.9 8.7975e-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
6914 1 1 1 1 45 THR THR 0.96
6914 1 1 1 1 45 THR CYS 0.03
6914 1 1 1 1 124 ARG ARG 0.46
6914 1 1 1 1 124 ARG CYS 0.37
6914 1 1 1 1 124 ARG GLY 0.1
6914 1 1 1 1 124 ARG LYS 0.05
stop_
save_
save_AVS
_Software.Sf_category software
_Software.Sf_framecode AVS
_Software.Entry_ID 6914
_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
6914 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
6914 1 "validate protein chemical shift assignments"
stop_
loop_
_Software_citation.Entry_ID
_Software_citation.Software_ID
_Software_citation.Citation_ID
_Software_citation.Citation_label
6914 1 2 $AVS_citation
stop_
save_
save_AVS_citation
_Citation.Sf_category citation
_Citation.Sf_framecode AVS_citation
_Citation.Entry_ID 6914
_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_