data_AVS_bmrb_pdb_report_16713 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16713 _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 36 ASN Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16713 1 1 1 1 65 MET Anomalous Consistent Consistent Anomalous Suspicious Consistent . . 16713 1 1 1 1 93 ASN Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16713 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 36 ASN C 175.428 . 175.16 1.76 8.7897e-01 16713 1 1 1 1 36 ASN CA 53.307 . 53.43 1.94 9.4945e-01 16713 1 1 1 1 36 ASN CB 35.289 . 38.66 1.78 5.8249e-02 16713 1 1 1 1 36 ASN CG 172.655 A 176.61 1.33 2.9425e-03 16713 1 1 1 1 36 ASN H 7.573 . 8.37 0.65 2.2014e-01 16713 1 1 1 1 36 ASN HA 4.354 . 4.7 0.39 3.7498e-01 16713 1 1 1 1 36 ASN HB2 2.916 . 2.8 0.34 7.3297e-01 16713 1 1 1 1 36 ASN HB3 2.863 . 2.78 0.34 8.0714e-01 16713 1 1 1 1 36 ASN HD21 7.450 . 7.27 0.52 7.2923e-01 16713 1 1 1 1 36 ASN HD22 6.746 . 7.2 0.52 3.8262e-01 16713 1 1 1 1 36 ASN N 117.240 . 119.13 4.42 6.6894e-01 16713 1 1 1 1 36 ASN ND2 111.794 . 112.83 2.6 6.9029e-01 16713 1 1 1 1 65 MET C 174.131 . 176.3 2.13 3.0853e-01 16713 1 1 1 1 65 MET CA 56.028 . 56.16 2.34 9.5502e-01 16713 1 1 1 1 65 MET CB 28.945 . 32.9 2.23 7.6139e-02 16713 1 1 1 1 65 MET CG 26.947 S 32.07 1.45 4.1071e-04 16713 1 1 1 1 65 MET CE 12.305 . 17.21 3.42 1.5151e-01 16713 1 1 1 1 65 MET H 6.708 . 8.26 0.6 9.6909e-03 16713 1 1 1 1 65 MET HA 2.464 A 4.39 0.46 2.8272e-05 16713 1 1 1 1 65 MET HB2 1.547 . 2.03 0.38 2.0371e-01 16713 1 1 1 1 65 MET HB3 1.455 . 2.01 0.36 1.2315e-01 16713 1 1 1 1 65 MET HG2 2.056 . 2.44 0.36 2.8612e-01 16713 1 1 1 1 65 MET HG3 2.056 . 2.41 0.4 3.7616e-01 16713 1 1 1 1 65 MET HE1 1.642 . 1.86 0.47 6.4277e-01 16713 1 1 1 1 65 MET HE2 1.642 . 1.86 0.47 6.4277e-01 16713 1 1 1 1 65 MET HE3 1.642 . 1.86 0.47 6.4277e-01 16713 1 1 1 1 65 MET N 116.444 . 120.1 3.88 3.4606e-01 16713 1 1 1 1 93 ASN C 171.206 . 175.16 1.76 2.4666e-02 16713 1 1 1 1 93 ASN CA 48.236 . 53.43 1.94 7.4214e-03 16713 1 1 1 1 93 ASN CB 34.378 . 38.66 1.78 1.6145e-02 16713 1 1 1 1 93 ASN CG 172.636 A 176.61 1.33 2.8084e-03 16713 1 1 1 1 93 ASN H 8.741 . 8.37 0.65 5.6816e-01 16713 1 1 1 1 93 ASN HA 4.815 . 4.7 0.39 7.6809e-01 16713 1 1 1 1 93 ASN HB2 3.156 . 2.8 0.34 2.9507e-01 16713 1 1 1 1 93 ASN HB3 2.591 . 2.78 0.34 5.7829e-01 16713 1 1 1 1 93 ASN HD21 7.380 . 7.27 0.52 8.3247e-01 16713 1 1 1 1 93 ASN HD22 6.652 . 7.2 0.52 2.9195e-01 16713 1 1 1 1 93 ASN N 119.498 . 119.13 4.42 9.3365e-01 16713 1 1 1 1 93 ASN ND2 112.458 . 112.83 2.6 8.8623e-01 16713 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 36 ASN CYS 0.98 16713 1 1 1 1 36 ASN ASN 0.01 16713 1 1 1 1 65 MET CYS 0.99 16713 1 1 1 1 93 ASN GLY 0.6 16713 1 1 1 1 93 ASN CYS 0.39 16713 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16713 _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 16713 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16713 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16713 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16713 _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_