data_AVS_bmrb_pdb_report_6330 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6330 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 6330 1 1 1 1 35 GLN Anomalous Consistent Consistent Anomalous Consistent Consistent . . 6330 1 1 1 1 65 GLN Anomalous Suspicious Consistent Consistent Suspicious Anomalous . . stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 6330 1 1 1 1 35 GLN C 175.9 . 176.39 1.96 8.0259e-01 6330 1 1 1 1 35 GLN CA 53.9 . 56.62 2.19 2.1423e-01 6330 1 1 1 1 35 GLN H 8.37 . 8.22 0.62 8.0883e-01 6330 1 1 1 1 35 GLN HA 3.90 . 4.28 0.44 3.8779e-01 6330 1 1 1 1 35 GLN HB2 -1.34 M 2.05 0.28 9.6808e-34 6330 1 1 1 1 35 GLN HB3 -1.34 M 2.04 0.29 2.1594e-31 6330 1 1 1 1 35 GLN N 124.2 . 119.92 4.01 2.8582e-01 6330 1 1 1 1 65 GLN C 179.2 . 176.39 1.96 1.5167e-01 6330 1 1 1 1 65 GLN CA 60.0 . 56.62 2.19 1.2274e-01 6330 1 1 1 1 65 GLN CB 33.9 . 29.1 1.97 1.4828e-02 6330 1 1 1 1 65 GLN CG 27.8 S 33.72 1.1 7.3737e-08 6330 1 1 1 1 65 GLN H 7.89 . 8.22 0.62 5.9455e-01 6330 1 1 1 1 65 GLN HA 3.80 . 4.28 0.44 2.7531e-01 6330 1 1 1 1 65 GLN HB2 2.18 . 2.05 0.28 6.4244e-01 6330 1 1 1 1 65 GLN HB3 2.18 . 2.04 0.29 6.2927e-01 6330 1 1 1 1 65 GLN HG2 2.28 . 2.32 0.29 8.9030e-01 6330 1 1 1 1 65 GLN HG3 2.28 . 2.32 0.29 8.9030e-01 6330 1 1 1 1 65 GLN N 124.6 . 119.92 4.01 2.4318e-01 6330 1 1 1 1 65 GLN NE2 33.9 M 111.81 2.2 0.0000e+00 stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 6330 1 1 1 1 35 GLN ASN 0.16 6330 1 1 1 1 35 GLN ASP 0.15 6330 1 1 1 1 35 GLN ALA 0.14 6330 1 1 1 1 35 GLN LEU 0.08 6330 1 1 1 1 35 GLN MET 0.06 6330 1 1 1 1 35 GLN HIS 0.06 6330 1 1 1 1 35 GLN CYS 0.06 6330 1 1 1 1 35 GLN GLN 0.04 6330 1 1 1 1 35 GLN ARG 0.04 6330 1 1 1 1 35 GLN LYS 0.03 6330 1 1 1 1 35 GLN TRP 0.03 6330 1 1 1 1 35 GLN TYR 0.02 6330 1 1 1 1 35 GLN PHE 0.02 6330 1 1 1 1 35 GLN GLU 0.02 6330 1 1 1 1 65 GLN CYS 0.41 6330 1 1 1 1 65 GLN LYS 0.23 6330 1 1 1 1 65 GLN GLU 0.1 6330 1 1 1 1 65 GLN ARG 0.09 6330 1 1 1 1 65 GLN ILE 0.08 6330 1 1 1 1 65 GLN PRO 0.05 6330 1 1 1 1 65 GLN MET 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6330 _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.Entry_ID _Vendor.Software_ID _Vendor.Name _Vendor.Address _Vendor.Electronic_address 6330 1 "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu stop_ loop_ _Task.Entry_ID _Task.Software_ID _Task.Task 6330 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6330 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6330 _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_