data_AVS_bmrb_pdb_report_11126 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 11126 _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 35 TRP Anomalous Consistent Consistent Consistent Anomalous Consistent . . 11126 1 1 1 1 93 GLN Anomalous Consistent Consistent Consistent Anomalous Consistent . . 11126 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 1 35 TRP C 174.182 . 176.1 1.89 3.1019e-01 11126 1 1 1 1 35 TRP CA 55.017 . 57.71 2.65 3.0952e-01 11126 1 1 1 1 35 TRP CB 27.316 . 30.16 2.19 1.9407e-01 11126 1 1 1 1 35 TRP CD1 124.126 . 126.16 1.76 2.4781e-01 11126 1 1 1 1 35 TRP CE3 119.083 . 120.38 1.5 3.8722e-01 11126 1 1 1 1 35 TRP CZ2 110.997 A 114.19 1.09 3.3966e-03 11126 1 1 1 1 35 TRP CZ3 118.961 . 121.57 1.76 1.3824e-01 11126 1 1 1 1 35 TRP CH2 121.094 . 123.75 1.34 4.7469e-02 11126 1 1 1 1 35 TRP H 7.728 . 8.35 0.84 4.5901e-01 11126 1 1 1 1 35 TRP HA 4.143 . 4.74 0.55 2.7772e-01 11126 1 1 1 1 35 TRP HB2 2.765 . 3.22 0.36 2.0627e-01 11126 1 1 1 1 35 TRP HB3 3.318 . 3.18 0.36 7.0147e-01 11126 1 1 1 1 35 TRP HD1 6.784 . 7.16 0.34 2.6878e-01 11126 1 1 1 1 35 TRP HE1 10.174 . 10.13 0.53 9.3384e-01 11126 1 1 1 1 35 TRP HE3 5.598 . 7.17 1.03 1.2696e-01 11126 1 1 1 1 35 TRP HZ2 7.149 . 7.14 0.89 9.9193e-01 11126 1 1 1 1 35 TRP HZ3 6.002 . 6.68 1.02 5.0624e-01 11126 1 1 1 1 35 TRP HH2 6.938 . 6.82 0.94 9.0010e-01 11126 1 1 1 1 35 TRP N 118.947 . 121.87 4.58 5.2334e-01 11126 1 1 1 1 35 TRP NE1 128.379 . 129.48 2.56 6.6714e-01 11126 1 1 1 1 93 GLN C 169.610 A 176.39 1.96 5.4182e-04 11126 1 1 1 1 93 GLN CA 50.192 . 56.62 2.19 3.3338e-03 11126 1 1 1 1 93 GLN CB 26.777 . 29.1 1.97 2.3832e-01 11126 1 1 1 1 93 GLN CG 31.227 . 33.72 1.1 2.3429e-02 11126 1 1 1 1 93 GLN H 8.023 . 8.22 0.62 7.5068e-01 11126 1 1 1 1 93 GLN HA 4.745 . 4.28 0.44 2.9059e-01 11126 1 1 1 1 93 GLN HB2 1.866 . 2.05 0.28 5.1109e-01 11126 1 1 1 1 93 GLN HB3 2.014 . 2.04 0.29 9.2856e-01 11126 1 1 1 1 93 GLN HG2 2.210 . 2.32 0.29 7.0446e-01 11126 1 1 1 1 93 GLN HG3 2.210 . 2.32 0.29 7.0446e-01 11126 1 1 1 1 93 GLN HE21 7.483 . 7.17 0.46 4.9623e-01 11126 1 1 1 1 93 GLN HE22 6.769 . 7.07 0.49 5.3903e-01 11126 1 1 1 1 93 GLN N 114.968 . 119.92 4.01 2.1686e-01 11126 1 1 1 1 93 GLN NE2 111.513 . 111.81 2.2 8.9261e-01 11126 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 1 35 TRP CYS 0.98 11126 1 1 1 1 93 GLN PRO 0.86 11126 1 1 1 1 93 GLN CYS 0.08 11126 1 1 1 1 93 GLN ARG 0.03 11126 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 11126 _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.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 11126 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 11126 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 11126 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 11126 _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_