data_AVS_bmrb_pdb_report_11080 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 11080 _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 59 PHE Anomalous Consistent Consistent Consistent Anomalous Consistent . . 11080 1 1 1 1 73 PHE Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 11080 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 59 PHE CA 56.315 . 58.25 2.73 4.7845e-01 11080 1 1 1 1 59 PHE CB 41.590 . 39.95 2.04 4.2144e-01 11080 1 1 1 1 59 PHE CD1 134.150 A 131.38 1.38 4.4723e-02 11080 1 1 1 1 59 PHE CD2 134.145 . 131.33 1.48 5.7168e-02 11080 1 1 1 1 59 PHE CE1 130.889 . 130.48 1.29 7.5120e-01 11080 1 1 1 1 59 PHE CZ 129.852 . 129.11 1.68 6.5873e-01 11080 1 1 1 1 59 PHE H 9.136 . 8.42 0.74 3.3326e-01 11080 1 1 1 1 59 PHE HA 5.037 . 4.62 0.58 4.7216e-01 11080 1 1 1 1 59 PHE HB2 3.159 . 2.99 0.37 6.4785e-01 11080 1 1 1 1 59 PHE HB3 3.262 . 2.97 0.38 4.4224e-01 11080 1 1 1 1 59 PHE HD1 7.292 . 6.91 0.82 6.4132e-01 11080 1 1 1 1 59 PHE HD2 7.292 . 6.89 0.86 6.4018e-01 11080 1 1 1 1 59 PHE N 118.174 . 120.69 4.18 5.4723e-01 11080 1 1 1 1 73 PHE CA 61.566 . 58.25 2.73 2.2450e-01 11080 1 1 1 1 73 PHE CB 38.327 . 39.95 2.04 4.2627e-01 11080 1 1 1 1 73 PHE CD1 131.885 . 131.38 1.38 7.1441e-01 11080 1 1 1 1 73 PHE CD2 131.884 . 131.33 1.48 7.0816e-01 11080 1 1 1 1 73 PHE CE1 136.916 A 130.48 1.29 6.0646e-07 11080 1 1 1 1 73 PHE CE2 136.916 A 130.6 0.97 7.4483e-11 11080 1 1 1 1 73 PHE CZ 136.232 S 129.11 1.68 2.2423e-05 11080 1 1 1 1 73 PHE H 8.275 . 8.42 0.74 8.4465e-01 11080 1 1 1 1 73 PHE HA 4.021 . 4.62 0.58 3.0172e-01 11080 1 1 1 1 73 PHE HB2 3.279 . 2.99 0.37 4.3476e-01 11080 1 1 1 1 73 PHE HB3 3.057 . 2.97 0.38 8.1891e-01 11080 1 1 1 1 73 PHE HD1 7.647 . 6.91 0.82 3.6877e-01 11080 1 1 1 1 73 PHE HD2 7.647 . 6.89 0.86 3.7873e-01 11080 1 1 1 1 73 PHE HE1 7.657 . 6.95 0.82 3.8858e-01 11080 1 1 1 1 73 PHE HE2 7.657 . 6.94 0.86 4.0444e-01 11080 1 1 1 1 73 PHE HZ 7.758 . 6.92 0.8 2.9487e-01 11080 1 1 1 1 73 PHE N 110.353 . 120.69 4.18 1.3400e-02 11080 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 59 PHE CYS 0.74 11080 1 1 1 1 59 PHE PHE 0.24 11080 1 1 1 1 59 PHE GLY 0.01 11080 1 1 1 1 73 PHE CYS 0.99 11080 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 11080 _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 11080 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 11080 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 11080 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 11080 _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_