data_AVS_bmrb_pdb_report_7359 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 7359 _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 4 LYS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 7359 1 1 1 1 43 LEU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 7359 1 1 1 1 57 HIS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 7359 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 4 LYS CA 52.965 . 56.84 2.25 8.5029e-02 7359 1 1 1 1 4 LYS CB 33.483 . 32.83 1.88 7.2834e-01 7359 1 1 1 1 4 LYS CG 22.191 . 24.91 1.31 3.7934e-02 7359 1 1 1 1 4 LYS CD 26.726 . 28.78 1.39 1.3949e-01 7359 1 1 1 1 4 LYS CE 39.847 . 41.78 0.98 4.8558e-02 7359 1 1 1 1 4 LYS H 11.592 A 8.22 0.64 1.3736e-07 7359 1 1 1 1 4 LYS HA 4.973 . 4.28 0.45 1.2356e-01 7359 1 1 1 1 4 LYS HB2 2.103 . 1.79 0.25 2.1057e-01 7359 1 1 1 1 4 LYS HB3 2.045 . 1.78 0.26 3.0809e-01 7359 1 1 1 1 4 LYS HG2 1.665 . 1.38 0.27 2.9117e-01 7359 1 1 1 1 4 LYS HG3 1.665 . 1.37 0.29 3.0904e-01 7359 1 1 1 1 4 LYS HD2 1.892 . 1.61 0.25 2.5932e-01 7359 1 1 1 1 4 LYS HD3 1.892 . 1.61 0.25 2.5932e-01 7359 1 1 1 1 4 LYS HE2 3.184 . 2.93 0.2 2.0408e-01 7359 1 1 1 1 4 LYS HE3 3.184 . 2.93 0.2 2.0408e-01 7359 1 1 1 1 4 LYS N 127.256 . 121.16 4.11 1.3802e-01 7359 1 1 1 1 43 LEU CA 55.572 . 55.65 2.21 9.7185e-01 7359 1 1 1 1 43 LEU CB 39.606 . 42.37 1.86 1.3727e-01 7359 1 1 1 1 43 LEU CG 24.655 . 26.77 1.25 9.0646e-02 7359 1 1 1 1 43 LEU CD1 23.384 . 24.73 1.71 4.3120e-01 7359 1 1 1 1 43 LEU CD2 22.169 . 24.1 1.78 2.7800e-01 7359 1 1 1 1 43 LEU H 8.735 . 8.22 0.65 4.2818e-01 7359 1 1 1 1 43 LEU HA 3.591 . 4.32 0.47 1.2089e-01 7359 1 1 1 1 43 LEU HB2 2.182 . 1.63 0.34 1.0448e-01 7359 1 1 1 1 43 LEU HB3 1.792 . 1.57 0.36 5.3745e-01 7359 1 1 1 1 43 LEU HG 1.656 . 1.54 0.33 7.2520e-01 7359 1 1 1 1 43 LEU HD11 1.162 . 0.77 0.27 1.4654e-01 7359 1 1 1 1 43 LEU HD12 1.162 . 0.77 0.27 1.4654e-01 7359 1 1 1 1 43 LEU HD13 1.162 . 0.77 0.27 1.4654e-01 7359 1 1 1 1 43 LEU HD21 22.109 A 0.76 0.28 0.0000e+00 7359 1 1 1 1 43 LEU HD22 22.109 A 0.76 0.28 0.0000e+00 7359 1 1 1 1 43 LEU HD23 22.109 A 0.76 0.28 0.0000e+00 7359 1 1 1 1 43 LEU N 122.553 . 121.98 4.07 8.8804e-01 7359 1 1 1 1 57 HIS CA 54.023 . 56.37 2.4 3.2812e-01 7359 1 1 1 1 57 HIS CB 27.768 . 29.95 2.15 3.1016e-01 7359 1 1 1 1 57 HIS H 11.389 A 8.25 0.74 2.2164e-05 7359 1 1 1 1 57 HIS HA 4.109 . 4.62 0.51 3.1636e-01 7359 1 1 1 1 57 HIS HB2 3.011 . 3.12 0.43 7.9989e-01 7359 1 1 1 1 57 HIS HB3 2.509 . 3.11 0.45 1.8169e-01 7359 1 1 1 1 57 HIS N 112.645 . 119.44 4.52 1.3276e-01 7359 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 4 LYS CYS 0.63 7359 1 1 1 1 4 LYS ALA 0.3 7359 1 1 1 1 4 LYS LYS 0.02 7359 1 1 1 1 4 LYS MET 0.02 7359 1 1 1 1 4 LYS ARG 0.01 7359 1 1 1 1 43 LEU CYS 0.64 7359 1 1 1 1 43 LEU LEU 0.24 7359 1 1 1 1 43 LEU ALA 0.11 7359 1 1 1 1 57 HIS LEU 0.2 7359 1 1 1 1 57 HIS ARG 0.16 7359 1 1 1 1 57 HIS GLN 0.14 7359 1 1 1 1 57 HIS CYS 0.14 7359 1 1 1 1 57 HIS HIS 0.13 7359 1 1 1 1 57 HIS LYS 0.12 7359 1 1 1 1 57 HIS GLU 0.05 7359 1 1 1 1 57 HIS MET 0.01 7359 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 7359 _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 7359 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 7359 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 7359 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 7359 _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_