data_AVS_bmrb_pdb_report_16833 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16833 _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 14 SER Anomalous Consistent Consistent Consistent Consistent Anomalous . . 16833 1 1 1 1 104 GLU Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16833 1 1 1 1 143 ARG Anomalous Consistent Consistent Anomalous Anomalous Consistent . . 16833 1 1 1 1 152 GLN Anomalous Consistent Consistent Anomalous Consistent Consistent . . 16833 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 14 SER C 174.205 . 174.53 1.73 8.5099e-01 16833 1 1 1 1 14 SER CA 54.983 . 58.57 2.12 9.0650e-02 16833 1 1 1 1 14 SER CB 63.850 . 63.8 1.57 9.7459e-01 16833 1 1 1 1 14 SER H 6.868 . 8.29 0.62 2.1816e-02 16833 1 1 1 1 14 SER N 99.617 A 116.3 3.95 2.4049e-05 16833 1 1 1 1 104 GLU C 181.952 A 176.93 2.11 1.7308e-02 16833 1 1 1 1 104 GLU CA 59.745 . 57.42 2.19 2.8840e-01 16833 1 1 1 1 104 GLU CB 28.701 . 30.07 1.84 4.5686e-01 16833 1 1 1 1 104 GLU H 8.769 . 8.34 0.61 4.8188e-01 16833 1 1 1 1 104 GLU N 118.473 . 120.68 3.68 5.4869e-01 16833 1 1 1 1 143 ARG C 182.351 A 176.49 2.16 6.6591e-03 16833 1 1 1 1 143 ARG CA 59.318 . 56.95 2.41 3.2582e-01 16833 1 1 1 1 143 ARG CB 28.102 . 30.66 1.77 1.4840e-01 16833 1 1 1 1 143 ARG H 11.733 A 8.24 0.6 5.8264e-09 16833 1 1 1 1 143 ARG N 122.453 . 120.61 3.9 6.3652e-01 16833 1 1 1 1 152 GLN C 175.069 . 176.39 1.96 5.0032e-01 16833 1 1 1 1 152 GLN CA 55.993 . 56.62 2.19 7.7465e-01 16833 1 1 1 1 152 GLN CB 29.551 . 29.1 1.97 8.1892e-01 16833 1 1 1 1 152 GLN H 10.106 . 8.22 0.62 2.3506e-03 16833 1 1 1 1 152 GLN HE21 9.158 A 7.17 0.46 1.5480e-05 16833 1 1 1 1 152 GLN HE22 6.211 . 7.07 0.49 7.9592e-02 16833 1 1 1 1 152 GLN N 126.183 . 119.92 4.01 1.1832e-01 16833 1 1 1 1 152 GLN NE2 109.7 . 111.81 2.2 3.3751e-01 16833 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 14 SER SER 0.99 16833 1 1 1 1 104 GLU ILE 0.18 16833 1 1 1 1 104 GLU TRP 0.14 16833 1 1 1 1 104 GLU CYS 0.14 16833 1 1 1 1 104 GLU LYS 0.1 16833 1 1 1 1 104 GLU GLU 0.1 16833 1 1 1 1 104 GLU ARG 0.08 16833 1 1 1 1 104 GLU GLN 0.08 16833 1 1 1 1 104 GLU HIS 0.07 16833 1 1 1 1 104 GLU VAL 0.01 16833 1 1 1 1 104 GLU LEU 0.01 16833 1 1 1 1 104 GLU MET 0.01 16833 1 1 1 1 143 ARG ILE 0.18 16833 1 1 1 1 143 ARG CYS 0.14 16833 1 1 1 1 143 ARG TRP 0.13 16833 1 1 1 1 143 ARG LYS 0.12 16833 1 1 1 1 143 ARG GLN 0.1 16833 1 1 1 1 143 ARG GLU 0.09 16833 1 1 1 1 143 ARG HIS 0.08 16833 1 1 1 1 143 ARG ARG 0.05 16833 1 1 1 1 143 ARG LEU 0.03 16833 1 1 1 1 143 ARG MET 0.01 16833 1 1 1 1 152 GLN HIS 0.15 16833 1 1 1 1 152 GLN GLN 0.14 16833 1 1 1 1 152 GLN LYS 0.12 16833 1 1 1 1 152 GLN TRP 0.12 16833 1 1 1 1 152 GLN GLU 0.12 16833 1 1 1 1 152 GLN ARG 0.12 16833 1 1 1 1 152 GLN CYS 0.11 16833 1 1 1 1 152 GLN MET 0.05 16833 1 1 1 1 152 GLN ILE 0.01 16833 1 1 1 1 152 GLN LEU 0.01 16833 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16833 _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 16833 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16833 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16833 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16833 _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_