data_AVS_bmrb_pdb_report_5075
save_AVS_chem_shift_analysis
_AVS_report.Sf_category AVS_report
_AVS_report.Sf_framecode AVS_chem_shift_analysis
_AVS_report.Entry_ID 5075
_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
5075 1 1 1 1 84 TRP 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
5075 1 1 1 1 84 TRP C 170.1 M 176.1 1.89 1.5004e-03
5075 1 1 1 1 84 TRP CA 56.3 . 57.71 2.65 5.9467e-01
5075 1 1 1 1 84 TRP CB 34.0 . 30.16 2.19 7.9529e-02
5075 1 1 1 1 84 TRP CD1 128.7 . 126.16 1.76 1.4897e-01
5075 1 1 1 1 84 TRP CZ2 112.8 . 114.19 1.09 2.0223e-01
5075 1 1 1 1 84 TRP H 9.44 . 8.35 0.84 1.9442e-01
5075 1 1 1 1 84 TRP HA 5.29 . 4.74 0.55 3.1731e-01
5075 1 1 1 1 84 TRP HB2 3.55 . 3.22 0.36 3.5932e-01
5075 1 1 1 1 84 TRP HB3 3.27 . 3.18 0.36 8.0259e-01
5075 1 1 1 1 84 TRP HD1 7.57 . 7.16 0.34 2.2786e-01
5075 1 1 1 1 84 TRP HE1 10.41 . 10.13 0.53 5.9729e-01
5075 1 1 1 1 84 TRP HE3 6.98 . 7.17 1.03 8.5365e-01
5075 1 1 1 1 84 TRP HZ2 7.24 . 7.14 0.89 9.1054e-01
5075 1 1 1 1 84 TRP HH2 6.79 . 6.82 0.94 9.7454e-01
5075 1 1 1 1 84 TRP N 126.0 . 121.87 4.58 3.6719e-01
5075 1 1 1 1 84 TRP NE1 129.6 . 129.48 2.56 9.6261e-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
5075 1 1 1 1 84 TRP CYS 0.78
5075 1 1 1 1 84 TRP TRP 0.11
5075 1 1 1 1 84 TRP HIS 0.06
5075 1 1 1 1 84 TRP TYR 0.03
stop_
save_
save_AVS
_Software.Sf_category software
_Software.Sf_framecode AVS
_Software.Entry_ID 5075
_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
5075 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
5075 1 "validate protein chemical shift assignments"
stop_
loop_
_Software_citation.Entry_ID
_Software_citation.Software_ID
_Software_citation.Citation_ID
_Software_citation.Citation_label
5075 1 2 $AVS_citation
stop_
save_
save_AVS_citation
_Citation.Sf_category citation
_Citation.Sf_framecode AVS_citation
_Citation.Entry_ID 5075
_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_