data_AVS_bmrb_pdb_report_16006 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16006 _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 18 VAL Anomalous Consistent Consistent Anomalous Consistent Consistent . . 16006 1 1 1 1 41 CYS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 16006 1 1 1 1 87 ASN Anomalous Consistent Consistent Anomalous Consistent Consistent . . 16006 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 18 VAL C 175.800 . 175.69 2.03 9.5679e-01 16006 1 1 1 1 18 VAL CA 63.300 . 62.48 3.04 7.8736e-01 16006 1 1 1 1 18 VAL CB 31.226 . 32.66 1.91 4.5278e-01 16006 1 1 1 1 18 VAL CG2 21.366 . 21.31 1.76 9.7462e-01 16006 1 1 1 1 18 VAL H 6.475 . 8.29 0.71 1.0578e-02 16006 1 1 1 1 18 VAL HA 1.105 A 4.16 0.57 8.3384e-08 16006 1 1 1 1 18 VAL HB 0.874 S 1.99 0.33 7.2008e-04 16006 1 1 1 1 18 VAL HG11 -0.126 S 0.84 0.27 3.4653e-04 16006 1 1 1 1 18 VAL HG12 -0.126 S 0.84 0.27 3.4653e-04 16006 1 1 1 1 18 VAL HG13 -0.126 S 0.84 0.27 3.4653e-04 16006 1 1 1 1 18 VAL HG21 -0.126 S 0.83 0.29 9.7880e-04 16006 1 1 1 1 18 VAL HG22 -0.126 S 0.83 0.29 9.7880e-04 16006 1 1 1 1 18 VAL HG23 -0.126 S 0.83 0.29 9.7880e-04 16006 1 1 1 1 18 VAL N 114.240 . 121.02 4.96 1.7165e-01 16006 1 1 1 1 41 CYS C 171.800 . 174.78 1.99 1.3427e-01 16006 1 1 1 1 41 CYS CA 54.630 . 57.43 3.41 4.1158e-01 16006 1 1 1 1 41 CYS CB 32.955 . 34.15 6.77 8.5989e-01 16006 1 1 1 1 41 CYS H 10.261 . 8.42 0.66 5.2807e-03 16006 1 1 1 1 41 CYS HA 6.238 A 4.73 0.57 8.1543e-03 16006 1 1 1 1 41 CYS HB2 3.725 . 2.95 0.43 7.1494e-02 16006 1 1 1 1 41 CYS HB3 3.068 . 2.98 0.45 8.4496e-01 16006 1 1 1 1 41 CYS N 121.830 . 119.95 4.79 6.9470e-01 16006 1 1 1 1 87 ASN C 173.230 . 175.16 1.76 2.7282e-01 16006 1 1 1 1 87 ASN CA 52.160 . 53.43 1.94 5.1270e-01 16006 1 1 1 1 87 ASN CB 40.323 . 38.66 1.78 3.5017e-01 16006 1 1 1 1 87 ASN H 8.743 . 8.37 0.65 5.6607e-01 16006 1 1 1 1 87 ASN HA 4.330 . 4.7 0.39 3.4276e-01 16006 1 1 1 1 87 ASN HB2 1.333 S 2.8 0.34 1.5982e-05 16006 1 1 1 1 87 ASN HB3 -0.116 A 2.78 0.34 1.6283e-17 16006 1 1 1 1 87 ASN HD21 6.497 . 7.27 0.52 1.3714e-01 16006 1 1 1 1 87 ASN HD22 6.413 . 7.2 0.52 1.3016e-01 16006 1 1 1 1 87 ASN N 118.720 . 119.13 4.42 9.2609e-01 16006 1 1 1 1 87 ASN ND2 111.053 . 112.83 2.6 4.9432e-01 16006 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 18 VAL VAL 0.78 16006 1 1 1 1 18 VAL CYS 0.18 16006 1 1 1 1 18 VAL ILE 0.02 16006 1 1 1 1 41 CYS MET 0.26 16006 1 1 1 1 41 CYS CYS 0.22 16006 1 1 1 1 41 CYS LYS 0.19 16006 1 1 1 1 41 CYS HIS 0.09 16006 1 1 1 1 41 CYS ARG 0.08 16006 1 1 1 1 41 CYS TRP 0.07 16006 1 1 1 1 41 CYS GLU 0.04 16006 1 1 1 1 41 CYS VAL 0.01 16006 1 1 1 1 87 ASN ASN 0.32 16006 1 1 1 1 87 ASN ASP 0.32 16006 1 1 1 1 87 ASN CYS 0.12 16006 1 1 1 1 87 ASN LEU 0.09 16006 1 1 1 1 87 ASN PHE 0.05 16006 1 1 1 1 87 ASN TYR 0.04 16006 1 1 1 1 87 ASN LYS 0.02 16006 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16006 _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 16006 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16006 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16006 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16006 _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_