data_AVS_bmrb_pdb_report_16337 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16337 _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 10 LEU Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 16337 1 1 1 1 120 ARG Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 16337 1 1 1 1 134 ASN Anomalous Consistent Consistent Consistent Consistent Anomalous . . 16337 1 1 1 1 139 ARG Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 16337 1 1 1 1 143 LEU Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 16337 1 1 1 1 166 LYS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 16337 1 1 1 1 175 LEU Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 16337 1 1 1 1 244 LEU Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 16337 1 1 1 1 260 LEU Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 16337 1 1 1 2 1 TOY UNSUPPORTED . . . . . . . 16337 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 10 LEU C 172.8 . 176.97 2.09 4.6019e-02 16337 1 1 1 1 10 LEU CA 56.7 . 55.65 2.21 6.3471e-01 16337 1 1 1 1 10 LEU CB 25.2 A 42.37 1.86 2.6766e-20 16337 1 1 1 1 10 LEU H 8.01 . 8.22 0.65 7.4664e-01 16337 1 1 1 1 10 LEU N 124.3 . 121.98 4.07 5.6866e-01 16337 1 1 1 1 120 ARG C 174.9 . 176.49 2.16 4.6166e-01 16337 1 1 1 1 120 ARG CA 57.1 . 56.95 2.41 9.5037e-01 16337 1 1 1 1 120 ARG CB 39.8 A 30.66 1.77 2.4193e-07 16337 1 1 1 1 120 ARG H 8.39 . 8.24 0.6 8.0259e-01 16337 1 1 1 1 120 ARG N 122.7 . 120.61 3.9 5.9203e-01 16337 1 1 1 1 134 ASN C 175.7 . 175.16 1.76 7.5898e-01 16337 1 1 1 1 134 ASN CA 50.7 . 53.43 1.94 1.5936e-01 16337 1 1 1 1 134 ASN CB 36.9 . 38.66 1.78 3.2278e-01 16337 1 1 1 1 134 ASN H 9.40 . 8.37 0.65 1.1305e-01 16337 1 1 1 1 134 ASN N 133.2 A 119.13 4.42 1.4563e-03 16337 1 1 1 1 139 ARG C 170.3 . 176.49 2.16 4.1603e-03 16337 1 1 1 1 139 ARG CA 57.0 . 56.95 2.41 9.8345e-01 16337 1 1 1 1 139 ARG CB 39.4 A 30.66 1.77 7.8987e-07 16337 1 1 1 1 139 ARG H 9.33 . 8.24 0.6 6.9268e-02 16337 1 1 1 1 139 ARG N 117.8 . 120.61 3.9 4.7121e-01 16337 1 1 1 1 143 LEU C 174.5 . 176.97 2.09 2.3728e-01 16337 1 1 1 1 143 LEU CA 55.5 . 55.65 2.21 9.4589e-01 16337 1 1 1 1 143 LEU CB 30.5 A 42.37 1.86 1.7511e-10 16337 1 1 1 1 143 LEU H 8.27 . 8.22 0.65 9.3868e-01 16337 1 1 1 1 143 LEU N 122.7 . 121.98 4.07 8.5958e-01 16337 1 1 1 1 166 LYS C 171.9 . 176.46 2.05 2.6122e-02 16337 1 1 1 1 166 LYS CA 55.4 . 56.84 2.25 5.2217e-01 16337 1 1 1 1 166 LYS CB 29.0 . 32.83 1.88 4.1627e-02 16337 1 1 1 1 166 LYS H 11.70 A 8.22 0.64 5.4033e-08 16337 1 1 1 1 166 LYS N 123.8 . 121.16 4.11 5.2066e-01 16337 1 1 1 1 175 LEU C 176.2 . 176.97 2.09 7.1256e-01 16337 1 1 1 1 175 LEU CA 59.4 . 55.65 2.21 8.9728e-02 16337 1 1 1 1 175 LEU CB 28.0 A 42.37 1.86 1.1115e-14 16337 1 1 1 1 175 LEU H 7.98 . 8.22 0.65 7.1196e-01 16337 1 1 1 1 175 LEU N 118.1 . 121.98 4.07 3.4043e-01 16337 1 1 1 1 244 LEU C 173.9 . 176.97 2.09 1.4186e-01 16337 1 1 1 1 244 LEU CA 56.2 . 55.65 2.21 8.0346e-01 16337 1 1 1 1 244 LEU CB 29.1 A 42.37 1.86 9.7204e-13 16337 1 1 1 1 244 LEU H 7.72 . 8.22 0.65 4.4176e-01 16337 1 1 1 1 244 LEU N 119.3 . 121.98 4.07 5.1023e-01 16337 1 1 1 1 260 LEU CA 58.3 . 55.65 2.21 2.3049e-01 16337 1 1 1 1 260 LEU CB 29.0 A 42.37 1.86 6.5664e-13 16337 1 1 1 1 260 LEU H 8.41 . 8.22 0.65 7.7005e-01 16337 1 1 1 1 260 LEU N 120.8 . 121.98 4.07 7.7187e-01 16337 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 10 LEU LYS 0.41 16337 1 1 1 1 10 LEU ARG 0.18 16337 1 1 1 1 10 LEU CYS 0.17 16337 1 1 1 1 10 LEU GLN 0.05 16337 1 1 1 1 10 LEU ILE 0.05 16337 1 1 1 1 10 LEU HIS 0.03 16337 1 1 1 1 10 LEU TRP 0.03 16337 1 1 1 1 10 LEU MET 0.02 16337 1 1 1 1 10 LEU GLU 0.01 16337 1 1 1 1 120 ARG PHE 0.24 16337 1 1 1 1 120 ARG TYR 0.23 16337 1 1 1 1 120 ARG CYS 0.18 16337 1 1 1 1 120 ARG ASP 0.1 16337 1 1 1 1 120 ARG LEU 0.08 16337 1 1 1 1 120 ARG ILE 0.06 16337 1 1 1 1 120 ARG ASN 0.03 16337 1 1 1 1 120 ARG LYS 0.03 16337 1 1 1 1 120 ARG GLU 0.01 16337 1 1 1 1 134 ASN ASN 0.53 16337 1 1 1 1 134 ASN CYS 0.31 16337 1 1 1 1 134 ASN ASP 0.03 16337 1 1 1 1 134 ASN MET 0.03 16337 1 1 1 1 134 ASN TYR 0.03 16337 1 1 1 1 134 ASN GLU 0.01 16337 1 1 1 1 134 ASN PHE 0.01 16337 1 1 1 1 139 ARG TYR 0.25 16337 1 1 1 1 139 ARG PHE 0.23 16337 1 1 1 1 139 ARG CYS 0.19 16337 1 1 1 1 139 ARG ASP 0.1 16337 1 1 1 1 139 ARG ILE 0.06 16337 1 1 1 1 139 ARG LEU 0.06 16337 1 1 1 1 139 ARG ASN 0.04 16337 1 1 1 1 139 ARG GLU 0.02 16337 1 1 1 1 139 ARG LYS 0.01 16337 1 1 1 1 143 LEU HIS 0.16 16337 1 1 1 1 143 LEU ARG 0.15 16337 1 1 1 1 143 LEU CYS 0.13 16337 1 1 1 1 143 LEU TRP 0.12 16337 1 1 1 1 143 LEU GLN 0.12 16337 1 1 1 1 143 LEU GLU 0.11 16337 1 1 1 1 143 LEU MET 0.09 16337 1 1 1 1 143 LEU LYS 0.07 16337 1 1 1 1 166 LYS GLN 0.18 16337 1 1 1 1 166 LYS HIS 0.18 16337 1 1 1 1 166 LYS CYS 0.13 16337 1 1 1 1 166 LYS TRP 0.12 16337 1 1 1 1 166 LYS GLU 0.12 16337 1 1 1 1 166 LYS ARG 0.11 16337 1 1 1 1 166 LYS MET 0.04 16337 1 1 1 1 166 LYS LEU 0.04 16337 1 1 1 1 166 LYS LYS 0.02 16337 1 1 1 1 166 LYS ILE 0.01 16337 1 1 1 1 175 LEU ILE 0.18 16337 1 1 1 1 175 LEU CYS 0.14 16337 1 1 1 1 175 LEU ARG 0.13 16337 1 1 1 1 175 LEU TRP 0.12 16337 1 1 1 1 175 LEU LYS 0.11 16337 1 1 1 1 175 LEU GLN 0.09 16337 1 1 1 1 175 LEU GLU 0.08 16337 1 1 1 1 175 LEU HIS 0.07 16337 1 1 1 1 175 LEU PRO 0.01 16337 1 1 1 1 244 LEU GLN 0.16 16337 1 1 1 1 244 LEU LYS 0.15 16337 1 1 1 1 244 LEU HIS 0.15 16337 1 1 1 1 244 LEU TRP 0.12 16337 1 1 1 1 244 LEU GLU 0.12 16337 1 1 1 1 244 LEU CYS 0.11 16337 1 1 1 1 244 LEU ARG 0.1 16337 1 1 1 1 244 LEU MET 0.03 16337 1 1 1 1 244 LEU ILE 0.02 16337 1 1 1 1 260 LEU TRP 0.14 16337 1 1 1 1 260 LEU LYS 0.13 16337 1 1 1 1 260 LEU GLU 0.13 16337 1 1 1 1 260 LEU GLN 0.12 16337 1 1 1 1 260 LEU CYS 0.12 16337 1 1 1 1 260 LEU HIS 0.11 16337 1 1 1 1 260 LEU ARG 0.09 16337 1 1 1 1 260 LEU ILE 0.07 16337 1 1 1 1 260 LEU MET 0.02 16337 1 1 1 1 260 LEU VAL 0.01 16337 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16337 _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 16337 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16337 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16337 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16337 _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_