data_AVS_bmrb_pdb_report_11018
save_AVS_chem_shift_analysis
_AVS_report.Sf_category AVS_report
_AVS_report.Sf_framecode AVS_chem_shift_analysis
_AVS_report.Entry_ID 11018
_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
11018 1 1 1 1 40 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
11018 1 1 1 1 40 TRP C 171.20 . 176.1 1.89 9.5256e-03
11018 1 1 1 1 40 TRP CA 53.30 . 57.71 2.65 9.6082e-02
11018 1 1 1 1 40 TRP CB 29.83 . 30.16 2.19 8.8022e-01
11018 1 1 1 1 40 TRP CD1 124.41 . 126.16 1.76 3.2007e-01
11018 1 1 1 1 40 TRP CE3 116.25 M 120.38 1.5 5.8992e-03
11018 1 1 1 1 40 TRP CZ2 111.75 . 114.19 1.09 2.5186e-02
11018 1 1 1 1 40 TRP CZ3 118.18 . 121.57 1.76 5.4087e-02
11018 1 1 1 1 40 TRP CH2 122.62 . 123.75 1.34 3.9907e-01
11018 1 1 1 1 40 TRP H 7.12 . 8.35 0.84 1.4312e-01
11018 1 1 1 1 40 TRP HA 4.89 . 4.74 0.55 7.8506e-01
11018 1 1 1 1 40 TRP HB2 2.89 . 3.22 0.36 3.5932e-01
11018 1 1 1 1 40 TRP HB3 2.66 . 3.18 0.36 1.4861e-01
11018 1 1 1 1 40 TRP HD1 6.98 . 7.16 0.34 5.9652e-01
11018 1 1 1 1 40 TRP HE1 9.93 . 10.13 0.53 7.0591e-01
11018 1 1 1 1 40 TRP HE3 6.93 . 7.17 1.03 8.1575e-01
11018 1 1 1 1 40 TRP HZ2 7.21 . 7.14 0.89 9.3731e-01
11018 1 1 1 1 40 TRP HZ3 6.47 . 6.68 1.02 8.3688e-01
11018 1 1 1 1 40 TRP HH2 7.06 . 6.82 0.94 7.9848e-01
11018 1 1 1 1 40 TRP N 120.08 . 121.87 4.58 6.9592e-01
11018 1 1 1 1 40 TRP NE1 128.68 . 129.48 2.56 7.5466e-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
11018 1 1 1 1 40 TRP CYS 0.9
11018 1 1 1 1 40 TRP TRP 0.09
stop_
save_
save_AVS
_Software.Sf_category software
_Software.Sf_framecode AVS
_Software.Entry_ID 11018
_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
11018 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
11018 1 "validate protein chemical shift assignments"
stop_
loop_
_Software_citation.Entry_ID
_Software_citation.Software_ID
_Software_citation.Citation_ID
_Software_citation.Citation_label
11018 1 2 $AVS_citation
stop_
save_
save_AVS_citation
_Citation.Sf_category citation
_Citation.Sf_framecode AVS_citation
_Citation.Entry_ID 11018
_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_