data_AVS_bmrb_pdb_report_34103 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 34103 _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 64 GLN Anomalous Consistent Consistent Anomalous Consistent Consistent . . 34103 1 1 1 2 1 U UNSUPPORTED . . . . . . . 34103 1 1 1 2 2 U UNSUPPORTED . . . . . . . 34103 1 1 1 2 3 ALA UNSUPPORTED . . . . . . . 34103 1 1 1 2 4 ALA UNSUPPORTED . . . . . . . 34103 1 1 1 2 5 U UNSUPPORTED . . . . . . . 34103 1 1 1 2 6 U UNSUPPORTED . . . . . . . 34103 1 1 1 2 7 ALA UNSUPPORTED . . . . . . . 34103 1 1 1 2 8 U UNSUPPORTED . . . . . . . 34103 1 1 1 2 9 CYS UNSUPPORTED . . . . . . . 34103 1 1 1 2 10 U UNSUPPORTED . . . . . . . 34103 1 1 1 2 11 ALA UNSUPPORTED . . . . . . . 34103 1 1 1 2 12 U UNSUPPORTED . . . . . . . 34103 1 1 1 2 13 U UNSUPPORTED . . . . . . . 34103 1 1 1 2 14 CYS UNSUPPORTED . . . . . . . 34103 1 1 1 2 15 CYS UNSUPPORTED . . . . . . . 34103 1 1 1 2 16 GLY UNSUPPORTED . . . . . . . 34103 1 1 1 2 17 U UNSUPPORTED . . . . . . . 34103 1 1 1 2 18 ALA UNSUPPORTED . . . . . . . 34103 1 1 1 2 19 CYS UNSUPPORTED . . . . . . . 34103 1 1 1 2 20 U UNSUPPORTED . . . . . . . 34103 1 1 1 2 21 U UNSUPPORTED . . . . . . . 34103 1 1 1 3 1 GLY UNSUPPORTED . . . . . . . 34103 1 1 1 3 2 U UNSUPPORTED . . . . . . . 34103 1 1 1 3 3 ALA UNSUPPORTED . . . . . . . 34103 1 1 1 3 4 CYS UNSUPPORTED . . . . . . . 34103 1 1 1 3 5 GLY UNSUPPORTED . . . . . . . 34103 1 1 1 3 6 GLY UNSUPPORTED . . . . . . . 34103 1 1 1 3 7 ALA UNSUPPORTED . . . . . . . 34103 1 1 1 3 8 ALA UNSUPPORTED . . . . . . . 34103 1 1 1 3 9 U UNSUPPORTED . . . . . . . 34103 1 1 1 3 10 ALA UNSUPPORTED . . . . . . . 34103 1 1 1 3 11 GLY UNSUPPORTED . . . . . . . 34103 1 1 1 3 12 ALA UNSUPPORTED . . . . . . . 34103 1 1 1 3 13 U UNSUPPORTED . . . . . . . 34103 1 1 1 3 14 ALA UNSUPPORTED . . . . . . . 34103 1 1 1 3 15 ALA UNSUPPORTED . . . . . . . 34103 1 1 1 3 16 U UNSUPPORTED . . . . . . . 34103 1 1 1 3 17 U UNSUPPORTED . . . . . . . 34103 1 1 1 3 18 ALA UNSUPPORTED . . . . . . . 34103 1 1 1 3 19 ALA UNSUPPORTED . . . . . . . 34103 1 1 1 3 20 U UNSUPPORTED . . . . . . . 34103 1 1 1 3 21 U UNSUPPORTED . . . . . . . 34103 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 64 GLN CA 53.67 . 56.57 2.14 1.7537e-01 34103 1 1 1 1 64 GLN CB 33.47 . 29.19 1.82 1.8690e-02 34103 1 1 1 1 64 GLN CG 34.26 . 33.76 1.11 6.5239e-01 34103 1 1 1 1 64 GLN H 8.07 . 8.22 0.59 7.9931e-01 34103 1 1 1 1 64 GLN HA 6.43 A 4.27 0.44 9.1500e-07 34103 1 1 1 1 64 GLN HB2 2.12 . 2.05 0.25 7.7948e-01 34103 1 1 1 1 64 GLN HB3 2.34 . 2.02 0.28 2.5310e-01 34103 1 1 1 1 64 GLN HG2 2.70 . 2.32 0.27 1.5931e-01 34103 1 1 1 1 64 GLN HG3 2.44 . 2.29 0.29 6.0499e-01 34103 1 1 1 1 64 GLN N 118.85 . 119.89 3.6 7.7267e-01 34103 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 64 GLN MET 0.47 34103 1 1 1 1 64 GLN CYS 0.43 34103 1 1 1 1 64 GLN GLN 0.06 34103 1 1 1 1 64 GLN GLU 0.02 34103 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 34103 _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 34103 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 34103 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 34103 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 34103 _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_