data_AVS_bmrb_pdb_report_10265 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 10265 _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 22 PRO Anomalous Consistent Consistent Anomalous Consistent Indeterminable . . 10265 1 1 1 1 39 TRP Anomalous Consistent Suspicious Anomalous Consistent Consistent "HE1 > HZ3" 0.9924 10265 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 22 PRO C 174.196 . 176.7 1.69 1.3843e-01 10265 1 1 1 1 22 PRO CA 62.504 . 63.3 1.64 6.2742e-01 10265 1 1 1 1 22 PRO CB 31.980 . 31.81 1.54 9.1210e-01 10265 1 1 1 1 22 PRO CG 28.807 . 27.14 1.18 1.5774e-01 10265 1 1 1 1 22 PRO CD 50.359 . 50.28 1.04 9.3945e-01 10265 1 1 1 1 22 PRO HA 4.653 . 4.41 0.36 4.9968e-01 10265 1 1 1 1 22 PRO HB2 4.351 A 2.05 0.39 3.6350e-09 10265 1 1 1 1 22 PRO HB3 1.498 . 2.05 0.39 1.5696e-01 10265 1 1 1 1 22 PRO HG2 1.615 . 1.93 0.36 3.8157e-01 10265 1 1 1 1 22 PRO HG3 1.615 . 1.92 0.37 4.0976e-01 10265 1 1 1 1 22 PRO HD2 3.666 . 3.64 0.36 9.4243e-01 10265 1 1 1 1 22 PRO HD3 4.653 . 3.63 0.4 1.0543e-02 10265 1 1 1 1 39 TRP CA 57.002 . 57.71 2.65 7.8934e-01 10265 1 1 1 1 39 TRP CB 31.344 . 30.16 2.19 5.8876e-01 10265 1 1 1 1 39 TRP CD1 124.034 . 126.16 1.76 2.2706e-01 10265 1 1 1 1 39 TRP CE3 121.150 . 120.38 1.5 6.0772e-01 10265 1 1 1 1 39 TRP CZ2 113.888 . 114.19 1.09 7.8173e-01 10265 1 1 1 1 39 TRP CZ3 119.971 . 121.57 1.76 3.6360e-01 10265 1 1 1 1 39 TRP CH2 122.919 . 123.75 1.34 5.3516e-01 10265 1 1 1 1 39 TRP H 7.777 . 8.35 0.84 4.9515e-01 10265 1 1 1 1 39 TRP HA 5.044 . 4.74 0.55 5.8045e-01 10265 1 1 1 1 39 TRP HB2 3.369 . 3.22 0.36 6.7896e-01 10265 1 1 1 1 39 TRP HB3 2.923 . 3.18 0.36 4.7530e-01 10265 1 1 1 1 39 TRP HD1 6.149 . 7.16 0.34 2.9440e-03 10265 1 1 1 1 39 TRP HE1 6.776 A 10.13 0.53 2.4787e-10 10265 1 1 1 1 39 TRP HE3 7.595 . 7.17 1.03 6.7988e-01 10265 1 1 1 1 39 TRP HZ2 6.472 . 7.14 0.89 4.5292e-01 10265 1 1 1 1 39 TRP HZ3 6.916 . 6.68 1.02 8.1703e-01 10265 1 1 1 1 39 TRP HH2 6.635 . 6.82 0.94 8.4398e-01 10265 1 1 1 1 39 TRP N 116.125 . 121.87 4.58 2.0971e-01 10265 1 1 1 1 39 TRP NE1 125.284 . 129.48 2.56 1.0120e-01 10265 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 22 PRO PRO 0.68 10265 1 1 1 1 22 PRO CYS 0.31 10265 1 1 1 1 39 TRP CYS 0.53 10265 1 1 1 1 39 TRP TRP 0.46 10265 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 10265 _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 10265 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 10265 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 10265 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 10265 _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_