data_AVS_bmrb_pdb_report_6600 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6600 _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 6600 1 1 1 1 72 GLN Anomalous Consistent Consistent Consistent Anomalous Consistent . . 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 6600 1 1 1 1 72 GLN CA 57.520 . 56.62 2.19 6.8110e-01 6600 1 1 1 1 72 GLN CB 30.500 . 29.1 1.97 4.7730e-01 6600 1 1 1 1 72 GLN CG 34.33 . 33.72 1.1 5.7921e-01 6600 1 1 1 1 72 GLN CD 181.28 M 179.68 1.17 1.7146e-01 6600 1 1 1 1 72 GLN H 8.041 . 8.22 0.62 7.7280e-01 6600 1 1 1 1 72 GLN HA 4.189 . 4.28 0.44 8.3615e-01 6600 1 1 1 1 72 GLN HB2 1.939 . 2.05 0.28 6.9179e-01 6600 1 1 1 1 72 GLN HB3 2.123 . 2.04 0.29 7.7472e-01 6600 1 1 1 1 72 GLN HG2 2.306 . 2.32 0.29 9.6150e-01 6600 1 1 1 1 72 GLN HG3 2.306 . 2.32 0.29 9.6150e-01 6600 1 1 1 1 72 GLN HE21 7.538 . 7.17 0.46 4.2371e-01 6600 1 1 1 1 72 GLN HE22 6.833 . 7.07 0.49 6.2862e-01 6600 1 1 1 1 72 GLN N 127.119 . 119.92 4.01 7.2612e-02 6600 1 1 1 1 72 GLN NE2 112.422 . 111.81 2.2 7.8087e-01 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 6600 1 1 1 1 72 GLN GLU 0.59 6600 1 1 1 1 72 GLN GLN 0.4 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6600 _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 6600 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 6600 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6600 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6600 _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_