data_AVS_bmrb_pdb_report_16124 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16124 _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 16 CYS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 16124 1 1 1 1 17 ASN Anomalous Consistent Consistent Suspicious Anomalous Consistent . . 16124 1 1 1 1 77 TYR Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 16124 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 16 CYS C 177.524 . 174.78 1.99 1.6793e-01 16124 1 1 1 1 16 CYS CA 54.970 . 57.43 3.41 4.7066e-01 16124 1 1 1 1 16 CYS CB 32.580 . 34.15 6.77 8.1661e-01 16124 1 1 1 1 16 CYS H 9.580 . 8.42 0.66 7.8820e-02 16124 1 1 1 1 16 CYS HA 6.484 A 4.73 0.57 2.0896e-03 16124 1 1 1 1 16 CYS HB2 2.639 . 2.95 0.43 4.6952e-01 16124 1 1 1 1 16 CYS HB3 3.120 . 2.98 0.45 7.5572e-01 16124 1 1 1 1 16 CYS N 123.370 . 119.95 4.79 4.7524e-01 16124 1 1 1 1 17 ASN C 174.965 . 175.16 1.76 9.1178e-01 16124 1 1 1 1 17 ASN CA 49.750 . 53.43 1.94 5.7840e-02 16124 1 1 1 1 17 ASN CB 38.590 . 38.66 1.78 9.6863e-01 16124 1 1 1 1 17 ASN CG 179.651 A 176.61 1.33 2.2227e-02 16124 1 1 1 1 17 ASN H 7.780 . 8.37 0.65 3.6404e-01 16124 1 1 1 1 17 ASN HA 4.943 . 4.7 0.39 5.3323e-01 16124 1 1 1 1 17 ASN HB2 1.483 S 2.8 0.34 1.0727e-04 16124 1 1 1 1 17 ASN HB3 3.029 . 2.78 0.34 4.6395e-01 16124 1 1 1 1 17 ASN HD21 7.342 . 7.27 0.52 8.8988e-01 16124 1 1 1 1 17 ASN HD22 6.540 . 7.2 0.52 2.0436e-01 16124 1 1 1 1 17 ASN N 118.057 . 119.13 4.42 8.0819e-01 16124 1 1 1 1 17 ASN ND2 110.954 . 112.83 2.6 4.7058e-01 16124 1 1 1 1 77 TYR C 173.911 . 175.39 1.89 4.3390e-01 16124 1 1 1 1 77 TYR CA 56.770 . 58.02 2.64 6.3587e-01 16124 1 1 1 1 77 TYR CB 40.980 . 39.16 2.23 4.1442e-01 16124 1 1 1 1 77 TYR CD1 133.481 . 132.54 1.35 4.8578e-01 16124 1 1 1 1 77 TYR CD2 118.039 A 132.26 1.99 8.9193e-13 16124 1 1 1 1 77 TYR CE1 118.040 . 117.81 2.09 9.1237e-01 16124 1 1 1 1 77 TYR H 8.768 . 8.37 0.75 5.9565e-01 16124 1 1 1 1 77 TYR HA 5.026 . 4.63 0.56 4.7948e-01 16124 1 1 1 1 77 TYR HB2 3.147 . 2.91 0.37 5.2182e-01 16124 1 1 1 1 77 TYR HB3 3.190 . 2.91 0.37 4.4920e-01 16124 1 1 1 1 77 TYR HD1 7.053 . 6.87 0.65 7.7830e-01 16124 1 1 1 1 77 TYR HD2 6.550 . 6.86 0.68 6.4847e-01 16124 1 1 1 1 77 TYR HE1 6.846 . 6.64 0.58 7.2246e-01 16124 1 1 1 1 77 TYR N 119.320 . 120.79 4.69 7.5395e-01 16124 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 16 CYS MET 0.2 16124 1 1 1 1 16 CYS CYS 0.18 16124 1 1 1 1 16 CYS LYS 0.16 16124 1 1 1 1 16 CYS GLN 0.1 16124 1 1 1 1 16 CYS HIS 0.09 16124 1 1 1 1 16 CYS ARG 0.09 16124 1 1 1 1 16 CYS TRP 0.07 16124 1 1 1 1 16 CYS GLU 0.05 16124 1 1 1 1 16 CYS VAL 0.01 16124 1 1 1 1 17 ASN ASP 0.4 16124 1 1 1 1 17 ASN CYS 0.39 16124 1 1 1 1 17 ASN ASN 0.19 16124 1 1 1 1 17 ASN GLY 0.01 16124 1 1 1 1 77 TYR CYS 0.99 16124 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16124 _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 16124 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16124 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16124 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16124 _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_