data_AVS_bmrb_pdb_report_17781 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17781 _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 20 ASN Anomalous Consistent Consistent Consistent Anomalous Consistent . . 17781 1 1 1 1 73 CYS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 17781 1 1 1 1 123 ASN Anomalous Consistent Consistent Consistent Anomalous Consistent . . 17781 1 1 1 1 128 ARG Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 17781 1 1 1 1 147 ARG Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 17781 1 1 1 1 153 TYR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 17781 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 20 ASN C 180.280 A 175.16 1.76 3.6248e-03 17781 1 1 1 1 20 ASN CA 51.178 . 53.43 1.94 2.4571e-01 17781 1 1 1 1 20 ASN CB 36.534 . 38.66 1.78 2.3233e-01 17781 1 1 1 1 20 ASN H 8.192 . 8.37 0.65 7.8420e-01 17781 1 1 1 1 20 ASN N 119.272 . 119.13 4.42 9.7437e-01 17781 1 1 1 1 73 CYS C 180.808 A 174.78 1.99 2.4525e-03 17781 1 1 1 1 73 CYS CA 57.547 . 57.43 3.41 9.7263e-01 17781 1 1 1 1 73 CYS CB 24.899 . 34.15 6.77 1.7179e-01 17781 1 1 1 1 73 CYS H 8.530 . 8.42 0.66 8.6763e-01 17781 1 1 1 1 73 CYS N 117.096 . 119.95 4.79 5.5129e-01 17781 1 1 1 1 123 ASN C 180.855 A 175.16 1.76 1.2130e-03 17781 1 1 1 1 123 ASN CA 51.419 . 53.43 1.94 2.9992e-01 17781 1 1 1 1 123 ASN CB 34.924 . 38.66 1.78 3.5828e-02 17781 1 1 1 1 123 ASN H 8.570 . 8.37 0.65 7.5832e-01 17781 1 1 1 1 123 ASN N 117.944 . 119.13 4.42 7.8845e-01 17781 1 1 1 1 128 ARG C 178.560 . 176.49 2.16 3.3789e-01 17781 1 1 1 1 128 ARG CA 54.242 . 56.95 2.41 2.6116e-01 17781 1 1 1 1 128 ARG CB 24.386 A 30.66 1.77 3.9316e-04 17781 1 1 1 1 128 ARG H 8.767 . 8.24 0.6 3.7976e-01 17781 1 1 1 1 128 ARG N 118.874 . 120.61 3.9 6.5623e-01 17781 1 1 1 1 147 ARG C 178.777 . 176.49 2.16 2.8969e-01 17781 1 1 1 1 147 ARG CA 53.161 . 56.95 2.41 1.1590e-01 17781 1 1 1 1 147 ARG CB 23.965 A 30.66 1.77 1.5527e-04 17781 1 1 1 1 147 ARG H 8.537 . 8.24 0.6 6.2060e-01 17781 1 1 1 1 147 ARG N 126.639 . 120.61 3.9 1.2213e-01 17781 1 1 1 1 153 TYR C 180.855 A 175.39 1.89 3.8337e-03 17781 1 1 1 1 153 TYR CA 52.440 . 58.02 2.64 3.4546e-02 17781 1 1 1 1 153 TYR CB 38.498 . 39.16 2.23 7.6657e-01 17781 1 1 1 1 153 TYR H 7.174 . 8.37 0.75 1.1079e-01 17781 1 1 1 1 153 TYR N 108.866 . 120.79 4.69 1.1008e-02 17781 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 20 ASN ASN 0.47 17781 1 1 1 1 20 ASN CYS 0.33 17781 1 1 1 1 20 ASN MET 0.05 17781 1 1 1 1 20 ASN TYR 0.03 17781 1 1 1 1 20 ASN GLU 0.03 17781 1 1 1 1 20 ASN ASP 0.02 17781 1 1 1 1 20 ASN PHE 0.01 17781 1 1 1 1 20 ASN PRO 0.01 17781 1 1 1 1 20 ASN LYS 0.01 17781 1 1 1 1 73 CYS LYS 0.33 17781 1 1 1 1 73 CYS LEU 0.23 17781 1 1 1 1 73 CYS CYS 0.13 17781 1 1 1 1 73 CYS ARG 0.11 17781 1 1 1 1 73 CYS ILE 0.05 17781 1 1 1 1 73 CYS GLN 0.03 17781 1 1 1 1 73 CYS MET 0.02 17781 1 1 1 1 73 CYS HIS 0.01 17781 1 1 1 1 73 CYS TRP 0.01 17781 1 1 1 1 73 CYS VAL 0.01 17781 1 1 1 1 123 ASN CYS 0.38 17781 1 1 1 1 123 ASN MET 0.15 17781 1 1 1 1 123 ASN PRO 0.13 17781 1 1 1 1 123 ASN ASN 0.11 17781 1 1 1 1 123 ASN GLN 0.06 17781 1 1 1 1 123 ASN LYS 0.05 17781 1 1 1 1 123 ASN GLU 0.03 17781 1 1 1 1 123 ASN HIS 0.01 17781 1 1 1 1 123 ASN TYR 0.01 17781 1 1 1 1 123 ASN TRP 0.01 17781 1 1 1 1 128 ARG LEU 0.47 17781 1 1 1 1 128 ARG LYS 0.28 17781 1 1 1 1 128 ARG CYS 0.13 17781 1 1 1 1 128 ARG MET 0.04 17781 1 1 1 1 128 ARG GLN 0.01 17781 1 1 1 1 128 ARG HIS 0.01 17781 1 1 1 1 147 ARG LEU 0.53 17781 1 1 1 1 147 ARG LYS 0.2 17781 1 1 1 1 147 ARG CYS 0.14 17781 1 1 1 1 147 ARG MET 0.06 17781 1 1 1 1 147 ARG ALA 0.02 17781 1 1 1 1 153 TYR ASN 0.52 17781 1 1 1 1 153 TYR CYS 0.16 17781 1 1 1 1 153 TYR ASP 0.15 17781 1 1 1 1 153 TYR TYR 0.06 17781 1 1 1 1 153 TYR PHE 0.04 17781 1 1 1 1 153 TYR LEU 0.02 17781 1 1 1 1 153 TYR GLU 0.01 17781 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17781 _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 17781 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17781 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17781 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17781 _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_