data_AVS_bmrb_pdb_report_6300 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6300 _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 6300 1 1 1 1 1 GLY Anomalous Consistent Consistent Anomalous Consistent Anomalous . . 6300 1 1 1 1 37 GLN Anomalous Consistent Consistent Consistent Consistent 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 6300 1 1 1 1 1 GLY CA 45.5 . 45.33 1.42 9.0471e-01 6300 1 1 1 1 1 GLY H 62.01 M 8.34 0.74 0.0000e+00 6300 1 1 1 1 1 GLY HA2 4.17 . 3.95 0.4 5.8232e-01 6300 1 1 1 1 1 GLY N 8.8 M 109.91 4.29 0.0000e+00 6300 1 1 1 1 37 GLN C 174.8 . 176.39 1.96 4.1724e-01 6300 1 1 1 1 37 GLN CA 53.4 . 56.62 2.19 1.4147e-01 6300 1 1 1 1 37 GLN CB 33.8 . 29.1 1.97 1.7043e-02 6300 1 1 1 1 37 GLN CG 34.4 . 33.72 1.1 5.3646e-01 6300 1 1 1 1 37 GLN H 8.21 . 8.22 0.62 9.8713e-01 6300 1 1 1 1 37 GLN HA 5.35 . 4.28 0.44 1.5023e-02 6300 1 1 1 1 37 GLN HB2 2.06 . 2.05 0.28 9.7151e-01 6300 1 1 1 1 37 GLN HB3 1.85 . 2.04 0.29 5.1236e-01 6300 1 1 1 1 37 GLN HG2 2.34 . 2.32 0.29 9.4502e-01 6300 1 1 1 1 37 GLN HG3 2.21 . 2.32 0.29 7.0446e-01 6300 1 1 1 1 37 GLN HE21 6.71 . 7.17 0.46 3.1731e-01 6300 1 1 1 1 37 GLN HE22 7.57 . 7.07 0.49 3.0754e-01 6300 1 1 1 1 37 GLN N 119.0 . 119.92 4.01 8.1854e-01 6300 1 1 1 1 37 GLN NE2 47.1 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 6300 1 1 1 1 1 GLY GLY 0.79 6300 1 1 1 1 1 GLY CYS 0.08 6300 1 1 1 1 1 GLY LEU 0.08 6300 1 1 1 1 1 GLY ARG 0.02 6300 1 1 1 1 37 GLN CYS 0.86 6300 1 1 1 1 37 GLN GLN 0.07 6300 1 1 1 1 37 GLN GLU 0.06 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6300 _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 6300 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 6300 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6300 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6300 _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_