data_AVS_bmrb_pdb_report_12032 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 12032 _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 2 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 12032 1 1 1 1 10 GLU Anomalous Consistent Consistent Consistent Anomalous Consistent . . 12032 1 1 1 1 32 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 12032 1 1 1 1 66 GLU Anomalous Consistent Consistent Consistent Anomalous Consistent . . 12032 1 1 1 1 86 GLU Anomalous Consistent Consistent Consistent Anomalous Consistent . . 12032 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 2 ARG C 174.089 . 176.41 2.03 2.5289e-01 12032 1 1 1 1 2 ARG CA 55.193 . 56.77 2.31 4.9481e-01 12032 1 1 1 1 2 ARG CB 32.438 . 30.7 1.83 3.4225e-01 12032 1 1 1 1 2 ARG CG 27.057 . 27.21 1.2 8.9854e-01 12032 1 1 1 1 2 ARG CD 43.470 . 43.16 0.88 7.2463e-01 12032 1 1 1 1 2 ARG H 8.474 . 8.24 0.61 7.0127e-01 12032 1 1 1 1 2 ARG HA 4.498 . 4.3 0.46 6.6688e-01 12032 1 1 1 1 2 ARG HB2 1.645 . 1.79 0.27 5.9124e-01 12032 1 1 1 1 2 ARG HB3 1.658 . 1.76 0.28 7.1564e-01 12032 1 1 1 1 2 ARG HG2 1.460 . 1.57 0.27 6.8371e-01 12032 1 1 1 1 2 ARG HG3 1.452 . 1.54 0.29 7.6155e-01 12032 1 1 1 1 2 ARG HD2 3.122 . 3.12 0.24 9.9335e-01 12032 1 1 1 1 2 ARG HD3 3.106 . 3.1 0.26 9.8159e-01 12032 1 1 1 1 2 ARG HE 7.414 . 7.4 0.63 9.8227e-01 12032 1 1 1 1 2 ARG N 122.298 . 120.8 3.68 6.8396e-01 12032 1 1 1 1 2 ARG NE 115.550 A 84.63 1.68 1.2031e-75 12032 1 1 1 1 10 GLU C 178.724 . 176.87 1.95 3.4172e-01 12032 1 1 1 1 10 GLU CA 60.227 . 57.32 2.09 1.6425e-01 12032 1 1 1 1 10 GLU CB 28.833 . 30.01 1.72 4.9378e-01 12032 1 1 1 1 10 GLU CG 36.115 . 36.11 1.19 9.9665e-01 12032 1 1 1 1 10 GLU CD 189.205 A 182.4 1.78 1.3182e-04 12032 1 1 1 1 10 GLU H 8.458 . 8.33 0.59 8.2825e-01 12032 1 1 1 1 10 GLU HA 3.951 . 4.25 0.41 4.6584e-01 12032 1 1 1 1 10 GLU HB2 2.024 . 2.02 0.21 9.8480e-01 12032 1 1 1 1 10 GLU HB3 2.029 . 1.99 0.23 8.6535e-01 12032 1 1 1 1 10 GLU HG2 2.303 . 2.27 0.21 8.7513e-01 12032 1 1 1 1 10 GLU HG3 2.287 . 2.25 0.22 8.6644e-01 12032 1 1 1 1 10 GLU N 120.477 . 120.67 3.48 9.5577e-01 12032 1 1 1 1 32 ARG C 174.923 . 176.41 2.03 4.6386e-01 12032 1 1 1 1 32 ARG CA 54.436 . 56.77 2.31 3.1231e-01 12032 1 1 1 1 32 ARG CB 34.849 . 30.7 1.83 2.3377e-02 12032 1 1 1 1 32 ARG CG 28.195 . 27.21 1.2 4.1174e-01 12032 1 1 1 1 32 ARG CD 44.013 . 43.16 0.88 3.3239e-01 12032 1 1 1 1 32 ARG H 9.416 . 8.24 0.61 5.3872e-02 12032 1 1 1 1 32 ARG HA 5.551 . 4.3 0.46 6.5368e-03 12032 1 1 1 1 32 ARG HB2 1.885 . 1.79 0.27 7.2495e-01 12032 1 1 1 1 32 ARG HB3 1.904 . 1.76 0.28 6.0705e-01 12032 1 1 1 1 32 ARG HG2 1.630 . 1.57 0.27 8.2414e-01 12032 1 1 1 1 32 ARG HG3 1.621 . 1.54 0.29 7.8001e-01 12032 1 1 1 1 32 ARG HD2 3.110 . 3.12 0.24 9.6676e-01 12032 1 1 1 1 32 ARG HD3 3.083 . 3.1 0.26 9.4787e-01 12032 1 1 1 1 32 ARG HE 7.130 . 7.4 0.63 6.6823e-01 12032 1 1 1 1 32 ARG N 126.238 . 120.8 3.68 1.3948e-01 12032 1 1 1 1 32 ARG NE 114.531 A 84.63 1.68 7.2958e-71 12032 1 1 1 1 66 GLU C 177.583 . 176.87 1.95 7.1463e-01 12032 1 1 1 1 66 GLU CA 59.426 . 57.32 2.09 3.1362e-01 12032 1 1 1 1 66 GLU CB 29.564 . 30.01 1.72 7.9540e-01 12032 1 1 1 1 66 GLU CG 37.087 . 36.11 1.19 4.1164e-01 12032 1 1 1 1 66 GLU CD 189.718 A 182.4 1.78 3.9355e-05 12032 1 1 1 1 66 GLU H 9.199 . 8.33 0.59 1.4078e-01 12032 1 1 1 1 66 GLU HA 4.092 . 4.25 0.41 6.9997e-01 12032 1 1 1 1 66 GLU HB2 2.165 . 2.02 0.21 4.8989e-01 12032 1 1 1 1 66 GLU HB3 2.175 . 1.99 0.23 4.2120e-01 12032 1 1 1 1 66 GLU HG2 2.341 . 2.27 0.21 7.3529e-01 12032 1 1 1 1 66 GLU HG3 2.475 . 2.25 0.22 3.0644e-01 12032 1 1 1 1 66 GLU N 122.973 . 120.67 3.48 5.0811e-01 12032 1 1 1 1 86 GLU C 178.421 . 176.87 1.95 4.2639e-01 12032 1 1 1 1 86 GLU CA 59.126 . 57.32 2.09 3.8753e-01 12032 1 1 1 1 86 GLU CB 29.614 . 30.01 1.72 8.1791e-01 12032 1 1 1 1 86 GLU CG 35.920 . 36.11 1.19 8.7315e-01 12032 1 1 1 1 86 GLU CD 189.413 A 182.4 1.78 8.1520e-05 12032 1 1 1 1 86 GLU H 8.033 . 8.33 0.59 6.1469e-01 12032 1 1 1 1 86 GLU HA 3.994 . 4.25 0.41 5.3237e-01 12032 1 1 1 1 86 GLU HB2 1.994 . 2.02 0.21 9.0147e-01 12032 1 1 1 1 86 GLU HB3 1.994 . 1.99 0.23 9.8612e-01 12032 1 1 1 1 86 GLU HG2 2.309 . 2.27 0.21 8.5267e-01 12032 1 1 1 1 86 GLU HG3 2.309 . 2.25 0.22 7.8856e-01 12032 1 1 1 1 86 GLU N 122.111 . 120.67 3.48 6.7881e-01 12032 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 2 ARG ARG 0.47 12032 1 1 1 1 2 ARG CYS 0.37 12032 1 1 1 1 2 ARG GLY 0.09 12032 1 1 1 1 2 ARG LYS 0.06 12032 1 1 1 1 10 GLU CYS 0.99 12032 1 1 1 1 32 ARG CYS 0.5 12032 1 1 1 1 32 ARG GLY 0.34 12032 1 1 1 1 32 ARG ARG 0.1 12032 1 1 1 1 32 ARG LYS 0.04 12032 1 1 1 1 66 GLU CYS 0.99 12032 1 1 1 1 86 GLU CYS 0.99 12032 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 12032 _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 12032 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 12032 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 12032 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 12032 _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_