data_AVS_bmrb_pdb_report_11298 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 11298 _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 8 PHE Anomalous Consistent Consistent Anomalous Consistent Consistent . . 11298 1 1 1 1 27 PRO Anomalous Consistent Consistent Anomalous Consistent Indeterminable . . 11298 1 1 1 1 30 PHE Anomalous Consistent Consistent Anomalous Consistent Consistent . . 11298 1 1 1 1 43 SER Anomalous Consistent Consistent Anomalous Consistent Consistent . . 11298 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 8 PHE C 175.829 . 175.49 2.13 8.7355e-01 11298 1 1 1 1 8 PHE CA 58.039 . 58.25 2.73 9.3839e-01 11298 1 1 1 1 8 PHE CB 39.507 . 39.95 2.04 8.2809e-01 11298 1 1 1 1 8 PHE CD1 131.775 . 131.38 1.38 7.7470e-01 11298 1 1 1 1 8 PHE CD2 131.775 . 131.33 1.48 7.6366e-01 11298 1 1 1 1 8 PHE CE1 129.842 . 130.48 1.29 6.2090e-01 11298 1 1 1 1 8 PHE CE2 129.842 . 130.6 0.97 4.3454e-01 11298 1 1 1 1 8 PHE H 8.873 . 8.42 0.74 5.4043e-01 11298 1 1 1 1 8 PHE HA 5.385 . 4.62 0.58 1.8718e-01 11298 1 1 1 1 8 PHE HB2 3.928 . 2.99 0.37 1.1240e-02 11298 1 1 1 1 8 PHE HB3 3.865 . 2.97 0.38 1.8510e-02 11298 1 1 1 1 8 PHE HD1 8.055 A 6.91 0.82 1.6261e-01 11298 1 1 1 1 8 PHE HD2 8.055 . 6.89 0.86 1.7553e-01 11298 1 1 1 1 8 PHE HE1 8.123 . 6.95 0.82 1.5258e-01 11298 1 1 1 1 8 PHE HE2 8.123 . 6.94 0.86 1.6895e-01 11298 1 1 1 1 8 PHE N 120.318 . 120.69 4.18 9.2909e-01 11298 1 1 1 1 27 PRO C 180.146 . 176.7 1.69 4.1445e-02 11298 1 1 1 1 27 PRO CA 64.564 . 63.3 1.64 4.4087e-01 11298 1 1 1 1 27 PRO CB 32.718 . 31.81 1.54 5.5545e-01 11298 1 1 1 1 27 PRO CG 27.266 . 27.14 1.18 9.1496e-01 11298 1 1 1 1 27 PRO CD 50.924 . 50.28 1.04 5.3576e-01 11298 1 1 1 1 27 PRO HA 5.455 . 4.41 0.36 3.6987e-03 11298 1 1 1 1 27 PRO HB2 2.924 . 2.05 0.39 2.5024e-02 11298 1 1 1 1 27 PRO HB3 3.334 S 2.05 0.39 9.9369e-04 11298 1 1 1 1 27 PRO HG2 2.968 . 1.93 0.36 3.9349e-03 11298 1 1 1 1 27 PRO HG3 2.968 . 1.92 0.37 4.6195e-03 11298 1 1 1 1 27 PRO HD2 4.906 A 3.64 0.36 4.3700e-04 11298 1 1 1 1 27 PRO HD3 4.670 . 3.63 0.4 9.3224e-03 11298 1 1 1 1 30 PHE C 177.476 . 175.49 2.13 3.5113e-01 11298 1 1 1 1 30 PHE CA 59.909 . 58.25 2.73 5.4339e-01 11298 1 1 1 1 30 PHE CB 38.200 . 39.95 2.04 3.9098e-01 11298 1 1 1 1 30 PHE CD1 131.588 . 131.38 1.38 8.8019e-01 11298 1 1 1 1 30 PHE CD2 131.588 . 131.33 1.48 8.6161e-01 11298 1 1 1 1 30 PHE H 9.611 . 8.42 0.74 1.0752e-01 11298 1 1 1 1 30 PHE HA 5.295 . 4.62 0.58 2.4451e-01 11298 1 1 1 1 30 PHE HB2 3.967 . 2.99 0.37 8.2774e-03 11298 1 1 1 1 30 PHE HB3 4.690 A 2.97 0.38 6.0021e-06 11298 1 1 1 1 30 PHE HD1 8.152 A 6.91 0.82 1.2986e-01 11298 1 1 1 1 30 PHE HD2 8.152 A 6.89 0.86 1.4226e-01 11298 1 1 1 1 30 PHE N 117.806 . 120.69 4.18 4.9022e-01 11298 1 1 1 1 43 SER C 175.180 . 174.53 1.73 7.0712e-01 11298 1 1 1 1 43 SER CA 57.271 . 58.57 2.12 5.4005e-01 11298 1 1 1 1 43 SER CB 65.663 . 63.8 1.57 2.3538e-01 11298 1 1 1 1 43 SER H 9.377 . 8.29 0.62 7.9563e-02 11298 1 1 1 1 43 SER HA 5.266 . 4.51 0.43 7.8724e-02 11298 1 1 1 1 43 SER HB2 4.903 S 3.88 0.29 4.1937e-04 11298 1 1 1 1 43 SER HB3 5.273 A 3.87 0.31 6.0166e-06 11298 1 1 1 1 43 SER N 115.751 . 116.3 3.95 8.8946e-01 11298 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 8 PHE PHE 0.5 11298 1 1 1 1 8 PHE TYR 0.49 11298 1 1 1 1 27 PRO PRO 0.99 11298 1 1 1 1 30 PHE PHE 0.5 11298 1 1 1 1 30 PHE TYR 0.49 11298 1 1 1 1 43 SER SER 0.99 11298 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 11298 _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 11298 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 11298 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 11298 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 11298 _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_