data_AVS_bmrb_pdb_report_10298 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 10298 _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 29 GLN Anomalous Consistent Consistent Anomalous Consistent Consistent . . 10298 1 1 1 1 57 ARG Anomalous Consistent Consistent Anomalous Consistent Consistent . . 10298 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 29 GLN C 173.677 . 176.39 1.96 1.6630e-01 10298 1 1 1 1 29 GLN CA 57.111 . 56.62 2.19 8.2260e-01 10298 1 1 1 1 29 GLN CB 26.795 . 29.1 1.97 2.4198e-01 10298 1 1 1 1 29 GLN CG 34.223 . 33.72 1.1 6.4747e-01 10298 1 1 1 1 29 GLN H 8.811 . 8.22 0.62 3.4048e-01 10298 1 1 1 1 29 GLN HA 2.344 A 4.28 0.44 1.0825e-05 10298 1 1 1 1 29 GLN HB2 1.873 . 2.05 0.28 5.2729e-01 10298 1 1 1 1 29 GLN HG2 1.686 . 2.32 0.29 2.8800e-02 10298 1 1 1 1 29 GLN HG3 1.855 . 2.32 0.29 1.0884e-01 10298 1 1 1 1 29 GLN HE21 6.951 . 7.17 0.46 6.3401e-01 10298 1 1 1 1 29 GLN HE22 6.320 . 7.07 0.49 1.2587e-01 10298 1 1 1 1 29 GLN N 115.607 . 119.92 4.01 2.8212e-01 10298 1 1 1 1 29 GLN NE2 112.424 . 111.81 2.2 7.8017e-01 10298 1 1 1 1 57 ARG C 175.909 . 176.49 2.16 7.8794e-01 10298 1 1 1 1 57 ARG CA 55.254 . 56.95 2.41 4.8160e-01 10298 1 1 1 1 57 ARG CB 30.216 . 30.66 1.77 8.0193e-01 10298 1 1 1 1 57 ARG CG 25.412 . 27.31 1.65 2.5002e-01 10298 1 1 1 1 57 ARG CD 41.421 . 43.1 1.1 1.2692e-01 10298 1 1 1 1 57 ARG H 7.061 . 8.24 0.6 4.9414e-02 10298 1 1 1 1 57 ARG HA 3.803 . 4.27 0.44 2.8852e-01 10298 1 1 1 1 57 ARG HB2 0.858 S 1.79 0.28 8.7293e-04 10298 1 1 1 1 57 ARG HB3 0.775 S 1.78 0.28 3.3159e-04 10298 1 1 1 1 57 ARG HG2 0.108 S 1.58 0.27 4.9848e-08 10298 1 1 1 1 57 ARG HG3 0.367 S 1.58 0.27 7.0361e-06 10298 1 1 1 1 57 ARG HD2 1.355 A 3.13 0.23 1.1873e-14 10298 1 1 1 1 57 ARG HD3 1.470 S 3.13 0.22 4.5071e-14 10298 1 1 1 1 57 ARG N 120.670 . 120.61 3.9 9.8773e-01 10298 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 29 GLN GLN 0.55 10298 1 1 1 1 29 GLN ARG 0.2 10298 1 1 1 1 29 GLN GLU 0.17 10298 1 1 1 1 29 GLN ILE 0.05 10298 1 1 1 1 57 ARG ARG 0.79 10298 1 1 1 1 57 ARG LEU 0.18 10298 1 1 1 1 57 ARG GLY 0.01 10298 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 10298 _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 10298 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 10298 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 10298 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 10298 _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_