data_AVS_bmrb_pdb_report_17277 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17277 _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 69 GLN Anomalous Consistent Consistent Anomalous Consistent Consistent . . 17277 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 69 GLN C 175.502 . 176.39 1.96 6.5050e-01 17277 1 1 1 1 69 GLN CA 51.299 . 56.62 2.19 1.5112e-02 17277 1 1 1 1 69 GLN CB 29.186 . 29.1 1.97 9.6518e-01 17277 1 1 1 1 69 GLN CG 34.447 . 33.72 1.1 5.0867e-01 17277 1 1 1 1 69 GLN H 8.573 . 8.22 0.62 5.6912e-01 17277 1 1 1 1 69 GLN HA 4.266 . 4.28 0.44 9.7462e-01 17277 1 1 1 1 69 GLN HB2 1.693 . 2.05 0.28 2.0231e-01 17277 1 1 1 1 69 GLN HB3 1.234 . 2.04 0.29 5.4474e-03 17277 1 1 1 1 69 GLN HG2 2.091 . 2.32 0.29 4.2973e-01 17277 1 1 1 1 69 GLN HG3 1.402 . 2.32 0.29 1.5481e-03 17277 1 1 1 1 69 GLN HE21 9.278 A 7.17 0.46 4.5921e-06 17277 1 1 1 1 69 GLN HE22 5.624 . 7.07 0.49 3.1673e-03 17277 1 1 1 1 69 GLN N 120.845 . 119.92 4.01 8.1757e-01 17277 1 1 1 1 69 GLN NE2 114.803 . 111.81 2.2 1.7369e-01 17277 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 69 GLN CYS 0.38 17277 1 1 1 1 69 GLN GLN 0.18 17277 1 1 1 1 69 GLN LYS 0.14 17277 1 1 1 1 69 GLN PRO 0.14 17277 1 1 1 1 69 GLN MET 0.06 17277 1 1 1 1 69 GLN GLU 0.05 17277 1 1 1 1 69 GLN ARG 0.01 17277 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17277 _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 17277 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17277 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17277 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17277 _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_