data_AVS_bmrb_pdb_report_16204 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16204 _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 12 PRO Anomalous Suspicious Consistent Consistent Anomalous Indeterminable . . 16204 1 1 1 1 50 ASN Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16204 1 1 1 1 104 PRO Anomalous Suspicious Consistent Consistent Anomalous Indeterminable . . 16204 1 1 1 2 1 HIS UNSUPPORTED . . . . . . . 16204 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 12 PRO C 173.245 . 176.7 1.69 4.0916e-02 16204 1 1 1 1 12 PRO CA 59.627 . 63.3 1.64 2.5115e-02 16204 1 1 1 1 12 PRO CB 26.237 A 31.81 1.54 2.9594e-04 16204 1 1 1 1 12 PRO HA 4.480 . 4.41 0.36 8.4583e-01 16204 1 1 1 1 12 PRO HB2 2.224 . 2.05 0.39 6.5549e-01 16204 1 1 1 1 12 PRO HB3 1.375 . 2.05 0.39 8.3493e-02 16204 1 1 1 1 50 ASN C 167.962 A 175.16 1.76 4.3180e-05 16204 1 1 1 1 50 ASN CA 49.149 . 53.43 1.94 2.7335e-02 16204 1 1 1 1 50 ASN CB 42.088 . 38.66 1.78 5.4124e-02 16204 1 1 1 1 50 ASN H 9.083 . 8.37 0.65 2.7268e-01 16204 1 1 1 1 50 ASN HA 4.965 . 4.7 0.39 4.9683e-01 16204 1 1 1 1 50 ASN N 126.537 . 119.13 4.42 9.3779e-02 16204 1 1 1 1 104 PRO C 172.334 . 176.7 1.69 9.7823e-03 16204 1 1 1 1 104 PRO CA 59.690 . 63.3 1.64 2.7720e-02 16204 1 1 1 1 104 PRO CB 25.155 A 31.81 1.54 1.5502e-05 16204 1 1 1 1 104 PRO HA 4.500 . 4.41 0.36 8.0259e-01 16204 1 1 1 1 104 PRO HB2 2.620 . 2.05 0.39 1.4387e-01 16204 1 1 1 1 104 PRO HB3 1.797 . 2.05 0.39 5.1652e-01 16204 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 12 PRO ILE 0.26 16204 1 1 1 1 12 PRO ARG 0.17 16204 1 1 1 1 12 PRO CYS 0.16 16204 1 1 1 1 12 PRO LYS 0.11 16204 1 1 1 1 12 PRO LEU 0.07 16204 1 1 1 1 12 PRO TRP 0.06 16204 1 1 1 1 12 PRO GLN 0.05 16204 1 1 1 1 12 PRO HIS 0.03 16204 1 1 1 1 12 PRO GLU 0.02 16204 1 1 1 1 50 ASN ASP 0.23 16204 1 1 1 1 50 ASN CYS 0.23 16204 1 1 1 1 50 ASN GLY 0.19 16204 1 1 1 1 50 ASN ASN 0.12 16204 1 1 1 1 50 ASN LEU 0.11 16204 1 1 1 1 50 ASN ARG 0.03 16204 1 1 1 1 50 ASN LYS 0.02 16204 1 1 1 1 50 ASN PHE 0.01 16204 1 1 1 1 50 ASN TYR 0.01 16204 1 1 1 1 104 PRO ILE 0.23 16204 1 1 1 1 104 PRO LYS 0.23 16204 1 1 1 1 104 PRO CYS 0.17 16204 1 1 1 1 104 PRO ARG 0.11 16204 1 1 1 1 104 PRO LEU 0.09 16204 1 1 1 1 104 PRO VAL 0.03 16204 1 1 1 1 104 PRO TRP 0.02 16204 1 1 1 1 104 PRO GLN 0.02 16204 1 1 1 1 104 PRO HIS 0.01 16204 1 1 1 1 104 PRO MET 0.01 16204 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16204 _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 16204 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16204 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16204 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16204 _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_