data_AVS_bmrb_pdb_report_34234 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 34234 _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 18 TRP Anomalous Consistent Consistent Consistent Anomalous Consistent . . 34234 1 1 1 1 27 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 34234 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 18 TRP C 178.215 . 176.12 2.01 2.9728e-01 34234 1 1 1 1 18 TRP CA 58.598 . 57.66 2.58 7.1618e-01 34234 1 1 1 1 18 TRP CB 29.360 . 30.01 2.01 7.4640e-01 34234 1 1 1 1 18 TRP CD1 133.5 A 126.51 1.83 1.3363e-04 34234 1 1 1 1 18 TRP CE3 122.47 . 120.43 1.79 2.5443e-01 34234 1 1 1 1 18 TRP CZ2 116.340 . 114.26 1.12 6.3291e-02 34234 1 1 1 1 18 TRP CZ3 123.800 . 121.35 1.53 1.0931e-01 34234 1 1 1 1 18 TRP CH2 126.470 . 123.86 1.42 6.6058e-02 34234 1 1 1 1 18 TRP H 7.486 . 8.29 0.79 3.0881e-01 34234 1 1 1 1 18 TRP HA 4.538 . 4.68 0.53 7.8876e-01 34234 1 1 1 1 18 TRP HB2 3.330 . 3.19 0.35 6.8916e-01 34234 1 1 1 1 18 TRP HB3 3.060 . 3.12 0.36 8.6763e-01 34234 1 1 1 1 18 TRP HD1 7.310 . 7.14 0.36 6.3677e-01 34234 1 1 1 1 18 TRP HE1 10.164 . 10.08 0.66 8.9872e-01 34234 1 1 1 1 18 TRP HE3 7.464 . 7.31 0.41 7.0721e-01 34234 1 1 1 1 18 TRP HZ2 7.387 . 7.28 0.33 7.4575e-01 34234 1 1 1 1 18 TRP HZ3 7.056 . 6.86 0.4 6.2413e-01 34234 1 1 1 1 18 TRP HH2 7.115 . 6.98 0.39 7.2923e-01 34234 1 1 1 1 18 TRP N 119.571 . 121.68 4.18 6.1388e-01 34234 1 1 1 1 18 TRP NE1 128.500 . 129.32 2.11 6.9755e-01 34234 1 1 1 1 27 ARG C 176.252 . 176.41 2.03 9.3796e-01 34234 1 1 1 1 27 ARG CA 60.000 . 56.77 2.31 1.6203e-01 34234 1 1 1 1 27 ARG CB 29.900 . 30.7 1.83 6.6200e-01 34234 1 1 1 1 27 ARG CG 27.074 . 27.21 1.2 9.0977e-01 34234 1 1 1 1 27 ARG CD 43.580 . 43.16 0.88 6.3317e-01 34234 1 1 1 1 27 ARG H 8.380 . 8.24 0.61 8.1847e-01 34234 1 1 1 1 27 ARG HA 3.711 . 4.3 0.46 2.0039e-01 34234 1 1 1 1 27 ARG HB2 1.806 . 1.79 0.27 9.5275e-01 34234 1 1 1 1 27 ARG HB3 1.805 . 1.76 0.28 8.7232e-01 34234 1 1 1 1 27 ARG HG2 1.654 . 1.57 0.27 7.5572e-01 34234 1 1 1 1 27 ARG HG3 1.654 . 1.54 0.29 6.9424e-01 34234 1 1 1 1 27 ARG HD2 3.169 . 3.12 0.24 8.3822e-01 34234 1 1 1 1 27 ARG HD3 3.169 . 3.1 0.26 7.9071e-01 34234 1 1 1 1 27 ARG HE 7.560 . 7.4 0.63 7.9952e-01 34234 1 1 1 1 27 ARG N 117.692 . 120.8 3.68 3.9835e-01 34234 1 1 1 1 27 ARG NE 128.200 A 84.63 1.68 0.0000e+00 34234 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 18 TRP TRP 0.99 34234 1 1 1 1 27 ARG ARG 0.74 34234 1 1 1 1 27 ARG GLY 0.21 34234 1 1 1 1 27 ARG LYS 0.03 34234 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 34234 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 2011-12-10 _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 34234 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 34234 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 34234 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 34234 _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_