data_AVS_bmrb_pdb_report_30334 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 30334 _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 36 TRP Anomalous Consistent Consistent Consistent Consistent Anomalous . . 30334 1 1 1 1 76 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 30334 1 1 1 1 97 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 30334 1 1 1 1 109 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 30334 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 36 TRP C 173.517 . 176.12 2.01 1.9531e-01 30334 1 1 1 1 36 TRP CA 54.761 . 57.66 2.58 2.6116e-01 30334 1 1 1 1 36 TRP CB 33.216 . 30.01 2.01 1.1071e-01 30334 1 1 1 1 36 TRP CD1 125.592 . 126.51 1.83 6.1592e-01 30334 1 1 1 1 36 TRP H 8.794 . 8.29 0.79 5.2349e-01 30334 1 1 1 1 36 TRP HA 5.202 . 4.68 0.53 3.2467e-01 30334 1 1 1 1 36 TRP HB2 3.015 . 3.19 0.35 6.1707e-01 30334 1 1 1 1 36 TRP HB3 3.347 . 3.12 0.36 5.2833e-01 30334 1 1 1 1 36 TRP HD1 7.270 . 7.14 0.36 7.1802e-01 30334 1 1 1 1 36 TRP HE1 11.267 . 10.08 0.66 7.2100e-02 30334 1 1 1 1 36 TRP N 122.227 . 121.68 4.18 8.9589e-01 30334 1 1 1 1 36 TRP NE1 99.402 A 129.32 2.11 1.2334e-45 30334 1 1 1 1 76 ARG C 178.535 . 176.41 2.03 2.9519e-01 30334 1 1 1 1 76 ARG CA 58.948 . 56.77 2.31 3.4575e-01 30334 1 1 1 1 76 ARG CB 29.840 . 30.7 1.83 6.3839e-01 30334 1 1 1 1 76 ARG CG 26.840 . 27.21 1.2 7.5783e-01 30334 1 1 1 1 76 ARG CD 43.356 . 43.16 0.88 8.2375e-01 30334 1 1 1 1 76 ARG H 7.730 . 8.24 0.61 4.0312e-01 30334 1 1 1 1 76 ARG HA 4.089 . 4.3 0.46 6.4645e-01 30334 1 1 1 1 76 ARG HB2 2.036 . 1.79 0.27 3.6224e-01 30334 1 1 1 1 76 ARG HB3 1.936 . 1.76 0.28 5.2963e-01 30334 1 1 1 1 76 ARG HG2 1.704 . 1.57 0.27 6.1969e-01 30334 1 1 1 1 76 ARG HG3 1.481 . 1.54 0.29 8.3878e-01 30334 1 1 1 1 76 ARG HD2 3.193 . 3.12 0.24 7.6100e-01 30334 1 1 1 1 76 ARG HE 7.150 . 7.4 0.63 6.9150e-01 30334 1 1 1 1 76 ARG N 118.266 . 120.8 3.68 4.9108e-01 30334 1 1 1 1 76 ARG NE 120.646 A 84.63 1.68 0.0000e+00 30334 1 1 1 1 97 ARG C 173.182 . 176.41 2.03 1.1180e-01 30334 1 1 1 1 97 ARG CA 55.189 . 56.77 2.31 4.9371e-01 30334 1 1 1 1 97 ARG CB 33.109 . 30.7 1.83 1.8804e-01 30334 1 1 1 1 97 ARG CG 28.137 . 27.21 1.2 4.3982e-01 30334 1 1 1 1 97 ARG CD 43.287 . 43.16 0.88 8.8525e-01 30334 1 1 1 1 97 ARG H 8.813 . 8.24 0.61 3.4755e-01 30334 1 1 1 1 97 ARG HA 4.954 . 4.3 0.46 1.5510e-01 30334 1 1 1 1 97 ARG HB2 1.685 . 1.79 0.27 6.9736e-01 30334 1 1 1 1 97 ARG HG2 1.322 . 1.57 0.27 3.5835e-01 30334 1 1 1 1 97 ARG HG3 1.399 . 1.54 0.29 6.2682e-01 30334 1 1 1 1 97 ARG HD2 3.213 . 3.12 0.24 6.9839e-01 30334 1 1 1 1 97 ARG HE 7.407 . 7.4 0.63 9.9113e-01 30334 1 1 1 1 97 ARG N 125.896 . 120.8 3.68 1.6612e-01 30334 1 1 1 1 97 ARG NE 119.880 A 84.63 1.68 0.0000e+00 30334 1 1 1 1 109 ARG C 178.844 . 176.41 2.03 2.3052e-01 30334 1 1 1 1 109 ARG CA 58.995 . 56.77 2.31 3.3545e-01 30334 1 1 1 1 109 ARG CB 29.954 . 30.7 1.83 6.8353e-01 30334 1 1 1 1 109 ARG CG 26.944 . 27.21 1.2 8.2457e-01 30334 1 1 1 1 109 ARG CD 43.379 . 43.16 0.88 8.0347e-01 30334 1 1 1 1 109 ARG H 7.704 . 8.24 0.61 3.7957e-01 30334 1 1 1 1 109 ARG HA 4.066 . 4.3 0.46 6.1097e-01 30334 1 1 1 1 109 ARG HB2 1.937 . 1.79 0.27 5.8614e-01 30334 1 1 1 1 109 ARG HG3 1.698 . 1.54 0.29 5.8587e-01 30334 1 1 1 1 109 ARG HD2 3.229 . 3.12 0.24 6.4971e-01 30334 1 1 1 1 109 ARG HE 7.372 . 7.4 0.63 9.6455e-01 30334 1 1 1 1 109 ARG N 118.019 . 120.8 3.68 4.4983e-01 30334 1 1 1 1 109 ARG NE 121.214 A 84.63 1.68 0.0000e+00 30334 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 36 TRP CYS 0.56 30334 1 1 1 1 36 TRP TRP 0.25 30334 1 1 1 1 36 TRP HIS 0.18 30334 1 1 1 1 76 ARG CYS 0.44 30334 1 1 1 1 76 ARG ARG 0.43 30334 1 1 1 1 76 ARG GLY 0.06 30334 1 1 1 1 76 ARG LYS 0.05 30334 1 1 1 1 97 ARG CYS 0.36 30334 1 1 1 1 97 ARG ARG 0.33 30334 1 1 1 1 97 ARG LYS 0.22 30334 1 1 1 1 97 ARG GLY 0.07 30334 1 1 1 1 109 ARG CYS 0.44 30334 1 1 1 1 109 ARG ARG 0.43 30334 1 1 1 1 109 ARG GLY 0.07 30334 1 1 1 1 109 ARG LYS 0.04 30334 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 30334 _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 30334 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 30334 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 30334 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 30334 _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_