data_AVS_bmrb_pdb_report_16060 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16060 _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 1 LEU Anomalous Consistent Consistent Indeterminable Consistent Anomalous . . 16060 1 1 1 1 6 GLN Anomalous Consistent Consistent Indeterminable Anomalous Consistent . . 16060 1 1 1 1 7 GLN Anomalous Consistent Consistent Indeterminable Anomalous Indeterminable . . 16060 1 1 1 1 27 TRP Anomalous Consistent Consistent Indeterminable Anomalous Consistent . . 16060 1 1 1 1 28 TRP Anomalous Consistent Consistent Indeterminable Anomalous Consistent . . 16060 1 1 1 2 1 X UNSUPPORTED . . . . . . . 16060 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 1 LEU C 171.2 . 176.97 2.09 5.7666e-03 16060 1 1 1 1 1 LEU CA 54.2 . 55.65 2.21 5.1175e-01 16060 1 1 1 1 1 LEU CB 43.3 . 42.37 1.86 6.1707e-01 16060 1 1 1 1 1 LEU CG 26.4 . 26.77 1.25 7.6723e-01 16060 1 1 1 1 1 LEU CD1 26.4 . 24.73 1.71 3.2876e-01 16060 1 1 1 1 1 LEU CD2 22.1 . 24.1 1.78 2.6118e-01 16060 1 1 1 1 1 LEU N 40.2 A 121.98 4.07 0.0000e+00 16060 1 1 1 1 6 GLN C 174.6 . 176.39 1.96 3.6110e-01 16060 1 1 1 1 6 GLN CA 55.7 . 56.62 2.19 6.7442e-01 16060 1 1 1 1 6 GLN CB 26.6 . 29.1 1.97 2.0443e-01 16060 1 1 1 1 6 GLN CG 32.9 . 33.72 1.1 4.5600e-01 16060 1 1 1 1 6 GLN CD 182.1 A 179.68 1.17 3.8605e-02 16060 1 1 1 1 6 GLN N 126.4 . 119.92 4.01 1.0610e-01 16060 1 1 1 1 7 GLN C 176.8 . 176.39 1.96 8.3430e-01 16060 1 1 1 1 7 GLN CA 54.1 . 56.62 2.19 2.4986e-01 16060 1 1 1 1 7 GLN CB 30.9 . 29.1 1.97 3.6087e-01 16060 1 1 1 1 7 GLN CG 34.3 . 33.72 1.1 5.9800e-01 16060 1 1 1 1 7 GLN CD 183.2 A 179.68 1.17 2.6250e-03 16060 1 1 1 1 27 TRP C 173.3 . 176.1 1.89 1.3848e-01 16060 1 1 1 1 27 TRP CA 57.3 . 57.71 2.65 8.7704e-01 16060 1 1 1 1 27 TRP CB 34.3 . 30.16 2.19 5.8703e-02 16060 1 1 1 1 27 TRP CG 112.2 . 110.37 1.55 2.3774e-01 16060 1 1 1 1 27 TRP CD1 127.3 . 126.16 1.76 5.1716e-01 16060 1 1 1 1 27 TRP CD2 130.0 . 127.4 1.33 5.0596e-02 16060 1 1 1 1 27 TRP CE2 139.8 A 137.38 2.86 3.9747e-01 16060 1 1 1 1 27 TRP CE3 122.1 . 120.38 1.5 2.5152e-01 16060 1 1 1 1 27 TRP CZ2 115.4 . 114.19 1.09 2.6696e-01 16060 1 1 1 1 27 TRP CZ3 122.3 . 121.57 1.76 6.7831e-01 16060 1 1 1 1 27 TRP CH2 124.5 . 123.75 1.34 5.7568e-01 16060 1 1 1 1 27 TRP N 125.3 . 121.87 4.58 4.5391e-01 16060 1 1 1 1 27 TRP NE1 133.3 . 129.48 2.56 1.3565e-01 16060 1 1 1 1 28 TRP C 172.1 . 176.1 1.89 3.4311e-02 16060 1 1 1 1 28 TRP CA 56.9 . 57.71 2.65 7.5986e-01 16060 1 1 1 1 28 TRP CB 32.1 . 30.16 2.19 3.7570e-01 16060 1 1 1 1 28 TRP CG 112.3 . 110.37 1.55 2.1307e-01 16060 1 1 1 1 28 TRP CD1 127.3 . 126.16 1.76 5.1716e-01 16060 1 1 1 1 28 TRP CD2 130.0 . 127.4 1.33 5.0596e-02 16060 1 1 1 1 28 TRP CE2 139.5 A 137.38 2.86 4.5854e-01 16060 1 1 1 1 28 TRP CE3 121.3 . 120.38 1.5 5.3966e-01 16060 1 1 1 1 28 TRP CZ2 115.1 . 114.19 1.09 4.0380e-01 16060 1 1 1 1 28 TRP CZ3 120.9 . 121.57 1.76 7.0344e-01 16060 1 1 1 1 28 TRP CH2 123.8 . 123.75 1.34 9.7024e-01 16060 1 1 1 1 28 TRP N 121.6 . 121.87 4.58 9.5299e-01 16060 1 1 1 1 28 TRP NE1 132.3 . 129.48 2.56 2.7065e-01 16060 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 1 LEU LEU 0.53 16060 1 1 1 1 1 LEU CYS 0.25 16060 1 1 1 1 1 LEU GLY 0.11 16060 1 1 1 1 1 LEU ARG 0.08 16060 1 1 1 1 6 GLN CYS 0.78 16060 1 1 1 1 6 GLN GLN 0.14 16060 1 1 1 1 6 GLN GLU 0.07 16060 1 1 1 1 7 GLN CYS 0.61 16060 1 1 1 1 7 GLN GLU 0.36 16060 1 1 1 1 7 GLN GLN 0.02 16060 1 1 1 1 27 TRP CYS 0.75 16060 1 1 1 1 27 TRP TRP 0.15 16060 1 1 1 1 27 TRP HIS 0.09 16060 1 1 1 1 28 TRP CYS 0.51 16060 1 1 1 1 28 TRP TRP 0.26 16060 1 1 1 1 28 TRP HIS 0.22 16060 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16060 _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 16060 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16060 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16060 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16060 _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_