data_AVS_bmrb_pdb_report_10056 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 10056 _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 10056 1 1 1 1 37 THR Anomalous Consistent Consistent Consistent Consistent Anomalous . . 10056 1 1 1 1 45 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 10056 1 1 1 1 37 THR C 176.206 . 174.6 1.8 3.7227e-01 10056 1 1 1 1 37 THR CA 61.018 . 62.15 2.72 6.7728e-01 10056 1 1 1 1 37 THR CB 69.236 . 69.64 1.7 8.1215e-01 10056 1 1 1 1 37 THR CG2 22.263 . 21.44 1.39 5.5379e-01 10056 1 1 1 1 37 THR H 6.887 . 8.27 0.62 2.5705e-02 10056 1 1 1 1 37 THR HA 4.249 . 4.48 0.5 6.4408e-01 10056 1 1 1 1 37 THR HB 4.523 . 4.17 0.37 3.4006e-01 10056 1 1 1 1 37 THR HG2 1.281 . 1.16 0.28 6.6564e-01 10056 1 1 1 1 37 THR N 138.274 M 115.7 5.05 7.8183e-06 10056 1 1 1 1 45 GLN C 174.567 . 176.39 1.96 3.5232e-01 10056 1 1 1 1 45 GLN CA 62.041 M 56.62 2.19 1.3311e-02 10056 1 1 1 1 45 GLN CB 25.803 . 29.1 1.97 9.4208e-02 10056 1 1 1 1 45 GLN CG 33.743 . 33.72 1.1 9.8332e-01 10056 1 1 1 1 45 GLN H 7.560 . 8.22 0.62 2.8709e-01 10056 1 1 1 1 45 GLN HA 4.051 . 4.28 0.44 6.0275e-01 10056 1 1 1 1 45 GLN HB2 2.359 . 2.05 0.28 2.6978e-01 10056 1 1 1 1 45 GLN HB3 2.359 . 2.04 0.29 2.7133e-01 10056 1 1 1 1 45 GLN HG2 2.581 . 2.32 0.29 3.6812e-01 10056 1 1 1 1 45 GLN HG3 2.673 . 2.32 0.29 2.2351e-01 10056 1 1 1 1 45 GLN HE21 6.852 . 7.17 0.46 4.8937e-01 10056 1 1 1 1 45 GLN HE22 7.430 . 7.07 0.49 4.6253e-01 10056 1 1 1 1 45 GLN N 118.857 . 119.92 4.01 7.9094e-01 10056 1 1 1 1 45 GLN NE2 111.406 . 111.81 2.2 8.5430e-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 10056 1 1 1 1 37 THR THR 0.99 10056 1 1 1 1 45 GLN PRO 0.46 10056 1 1 1 1 45 GLN ILE 0.15 10056 1 1 1 1 45 GLN LYS 0.15 10056 1 1 1 1 45 GLN VAL 0.1 10056 1 1 1 1 45 GLN ARG 0.05 10056 1 1 1 1 45 GLN GLN 0.04 10056 1 1 1 1 45 GLN GLU 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 10056 _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 10056 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 10056 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 10056 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 10056 _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_