data_AVS_bmrb_pdb_report_5467 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 5467 _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 5467 1 1 1 1 19 GLN Anomalous Indeterminable Consistent Anomalous Anomalous Indeterminable . . 5467 1 1 1 1 53 TRP Anomalous Consistent Consistent Consistent Anomalous Consistent . . 5467 1 1 1 1 59 GLN Anomalous Consistent Consistent Anomalous Consistent 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 5467 1 1 1 1 19 GLN C 7.24 M 176.39 1.96 0.0000e+00 5467 1 1 1 1 19 GLN HE22 113.695 M 7.07 0.49 0.0000e+00 5467 1 1 1 1 53 TRP C 177.31 . 176.1 1.89 5.2204e-01 5467 1 1 1 1 53 TRP CA 55.91 . 57.71 2.65 4.9698e-01 5467 1 1 1 1 53 TRP CB 30.91 . 30.16 2.19 7.3200e-01 5467 1 1 1 1 53 TRP CD1 133.84 M 126.16 1.76 1.2792e-05 5467 1 1 1 1 53 TRP CE3 121.19 . 120.38 1.5 5.8920e-01 5467 1 1 1 1 53 TRP CZ2 114.43 . 114.19 1.09 8.2573e-01 5467 1 1 1 1 53 TRP CZ3 122.37 . 121.57 1.76 6.4944e-01 5467 1 1 1 1 53 TRP CH2 123.84 . 123.75 1.34 9.4645e-01 5467 1 1 1 1 53 TRP H 7.973 . 8.35 0.84 6.5357e-01 5467 1 1 1 1 53 TRP HA 4.801 . 4.74 0.55 9.1169e-01 5467 1 1 1 1 53 TRP HB2 3.403 . 3.22 0.36 6.1122e-01 5467 1 1 1 1 53 TRP HB3 3.073 . 3.18 0.36 7.6630e-01 5467 1 1 1 1 53 TRP HD1 7.265 . 7.16 0.34 7.5746e-01 5467 1 1 1 1 53 TRP HE3 7.725 . 7.17 1.03 5.9000e-01 5467 1 1 1 1 53 TRP HZ2 7.570 . 7.14 0.89 6.2899e-01 5467 1 1 1 1 53 TRP HZ3 7.303 . 6.68 1.02 5.4134e-01 5467 1 1 1 1 53 TRP HH2 7.156 . 6.82 0.94 7.2076e-01 5467 1 1 1 1 53 TRP N 125.69 . 121.87 4.58 4.0425e-01 5467 1 1 1 1 53 TRP NE1 129.37 . 129.48 2.56 9.6573e-01 5467 1 1 1 1 59 GLN C 175.59 . 176.39 1.96 6.8315e-01 5467 1 1 1 1 59 GLN CA 56.20 . 56.62 2.19 8.4791e-01 5467 1 1 1 1 59 GLN CB 25.91 . 29.1 1.97 1.0538e-01 5467 1 1 1 1 59 GLN CG 32.38 . 33.72 1.1 2.2315e-01 5467 1 1 1 1 59 GLN CD 180.25 . 179.68 1.17 6.2613e-01 5467 1 1 1 1 59 GLN H 8.200 . 8.22 0.62 9.7427e-01 5467 1 1 1 1 59 GLN HA 2.244 M 4.28 0.44 3.7051e-06 5467 1 1 1 1 59 GLN HB2 1.308 . 2.05 0.28 8.0492e-03 5467 1 1 1 1 59 GLN HB3 1.308 . 2.04 0.29 1.1598e-02 5467 1 1 1 1 59 GLN HG2 1.757 . 2.32 0.29 5.2212e-02 5467 1 1 1 1 59 GLN HG3 1.139 S 2.32 0.29 4.6528e-05 5467 1 1 1 1 59 GLN HE21 7.281 . 7.17 0.46 8.0932e-01 5467 1 1 1 1 59 GLN HE22 6.714 . 7.07 0.49 4.6751e-01 5467 1 1 1 1 59 GLN N 126.66 . 119.92 4.01 9.2802e-02 5467 1 1 1 1 59 GLN NE2 110.60 . 111.81 2.2 5.8232e-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 5467 1 1 1 1 53 TRP CYS 0.66 5467 1 1 1 1 53 TRP HIS 0.33 5467 1 1 1 1 59 GLN CYS 0.7 5467 1 1 1 1 59 GLN GLN 0.27 5467 1 1 1 1 59 GLN GLU 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 5467 _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 5467 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 5467 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 5467 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 5467 _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_