data_AVS_bmrb_pdb_report_16712 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16712 _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 29 ASN Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16712 1 1 1 1 31 CYS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16712 1 1 1 1 36 ASN Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16712 1 1 1 1 93 ASN Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16712 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 29 ASN C 172.509 . 175.16 1.76 1.3200e-01 16712 1 1 1 1 29 ASN CA 52.373 . 53.43 1.94 5.8586e-01 16712 1 1 1 1 29 ASN CB 35.920 . 38.66 1.78 1.2372e-01 16712 1 1 1 1 29 ASN CG 173.242 A 176.61 1.33 1.1331e-02 16712 1 1 1 1 29 ASN H 8.993 . 8.37 0.65 3.3783e-01 16712 1 1 1 1 29 ASN HA 4.244 . 4.7 0.39 2.4231e-01 16712 1 1 1 1 29 ASN HB2 2.644 . 2.8 0.34 6.4636e-01 16712 1 1 1 1 29 ASN HB3 2.544 . 2.78 0.34 4.8761e-01 16712 1 1 1 1 29 ASN HD21 7.591 . 7.27 0.52 5.3703e-01 16712 1 1 1 1 29 ASN HD22 6.854 . 7.2 0.52 5.0580e-01 16712 1 1 1 1 29 ASN N 119.287 . 119.13 4.42 9.7166e-01 16712 1 1 1 1 29 ASN ND2 113.966 . 112.83 2.6 6.6217e-01 16712 1 1 1 1 31 CYS C 172.588 . 174.78 1.99 2.7068e-01 16712 1 1 1 1 31 CYS CA 48.500 A 57.43 3.41 8.8248e-03 16712 1 1 1 1 31 CYS CB 38.824 . 34.15 6.77 4.8994e-01 16712 1 1 1 1 31 CYS H 8.242 . 8.42 0.66 7.8739e-01 16712 1 1 1 1 31 CYS HA 4.726 . 4.73 0.57 9.9440e-01 16712 1 1 1 1 31 CYS HB2 3.247 . 2.95 0.43 4.8976e-01 16712 1 1 1 1 31 CYS HB3 3.144 . 2.98 0.45 7.1553e-01 16712 1 1 1 1 31 CYS N 118.768 . 119.95 4.79 8.0509e-01 16712 1 1 1 1 36 ASN C 175.272 . 175.16 1.76 9.4926e-01 16712 1 1 1 1 36 ASN CA 53.604 . 53.43 1.94 9.2853e-01 16712 1 1 1 1 36 ASN CB 35.392 . 38.66 1.78 6.6364e-02 16712 1 1 1 1 36 ASN CG 172.735 A 176.61 1.33 3.5736e-03 16712 1 1 1 1 36 ASN H 7.742 . 8.37 0.65 3.3397e-01 16712 1 1 1 1 36 ASN HA 4.339 . 4.7 0.39 3.5463e-01 16712 1 1 1 1 36 ASN HB2 2.842 . 2.8 0.34 9.0169e-01 16712 1 1 1 1 36 ASN HB3 2.783 . 2.78 0.34 9.9296e-01 16712 1 1 1 1 36 ASN HD21 7.544 . 7.27 0.52 5.9825e-01 16712 1 1 1 1 36 ASN HD22 6.793 . 7.2 0.52 4.3381e-01 16712 1 1 1 1 36 ASN N 117.373 . 119.13 4.42 6.9099e-01 16712 1 1 1 1 36 ASN ND2 111.520 . 112.83 2.6 6.1437e-01 16712 1 1 1 1 93 ASN C 171.277 . 175.16 1.76 2.7367e-02 16712 1 1 1 1 93 ASN CA 48.438 . 53.43 1.94 1.0076e-02 16712 1 1 1 1 93 ASN CB 34.313 . 38.66 1.78 1.4601e-02 16712 1 1 1 1 93 ASN CG 172.765 A 176.61 1.33 3.8405e-03 16712 1 1 1 1 93 ASN H 8.758 . 8.37 0.65 5.5056e-01 16712 1 1 1 1 93 ASN HA 4.798 . 4.7 0.39 8.0160e-01 16712 1 1 1 1 93 ASN HB2 3.154 . 2.8 0.34 2.9779e-01 16712 1 1 1 1 93 ASN HB3 2.589 . 2.78 0.34 5.7428e-01 16712 1 1 1 1 93 ASN HD21 7.357 . 7.27 0.52 8.6713e-01 16712 1 1 1 1 93 ASN HD22 6.652 . 7.2 0.52 2.9195e-01 16712 1 1 1 1 93 ASN N 119.830 . 119.13 4.42 8.7416e-01 16712 1 1 1 1 93 ASN ND2 112.455 . 112.83 2.6 8.8532e-01 16712 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 29 ASN CYS 0.91 16712 1 1 1 1 29 ASN ASN 0.08 16712 1 1 1 1 31 CYS ASN 0.38 16712 1 1 1 1 31 CYS GLY 0.24 16712 1 1 1 1 31 CYS CYS 0.24 16712 1 1 1 1 31 CYS ASP 0.08 16712 1 1 1 1 31 CYS TYR 0.01 16712 1 1 1 1 31 CYS PHE 0.01 16712 1 1 1 1 36 ASN CYS 0.98 16712 1 1 1 1 36 ASN ASN 0.01 16712 1 1 1 1 93 ASN CYS 0.51 16712 1 1 1 1 93 ASN GLY 0.47 16712 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16712 _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 16712 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16712 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16712 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16712 _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_