data_AVS_bmrb_pdb_report_6575 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6575 _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 6575 1 1 1 1 49 LYS Anomalous Consistent Consistent Suspicious Consistent Anomalous . . 6575 1 1 1 1 63 GLY Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6575 1 1 1 1 73 LEU Anomalous Consistent Consistent Anomalous Consistent 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 6575 1 1 1 1 49 LYS C 170.922 . 176.46 2.05 6.9035e-03 6575 1 1 1 1 49 LYS CA 53.856 . 56.84 2.25 1.8477e-01 6575 1 1 1 1 49 LYS CB 36.045 . 32.83 1.88 8.7246e-02 6575 1 1 1 1 49 LYS CG 24.319 . 24.91 1.31 6.5188e-01 6575 1 1 1 1 49 LYS CD 28.121 . 28.78 1.39 6.3543e-01 6575 1 1 1 1 49 LYS CE 40.883 . 41.78 0.98 3.6003e-01 6575 1 1 1 1 49 LYS H 8.540 . 8.22 0.64 6.1707e-01 6575 1 1 1 1 49 LYS HA 4.117 . 4.28 0.45 7.1719e-01 6575 1 1 1 1 49 LYS HB2 1.017 . 1.79 0.25 1.9881e-03 6575 1 1 1 1 49 LYS HG2 0.861 . 1.38 0.27 5.4578e-02 6575 1 1 1 1 49 LYS HD2 0.961 . 1.61 0.25 9.4316e-03 6575 1 1 1 1 49 LYS HE2 1.813 S 2.93 0.2 2.3370e-08 6575 1 1 1 1 49 LYS N 120.425 . 121.16 4.11 8.5807e-01 6575 1 1 1 1 49 LYS NZ 1.950 M 71.86 52.41 1.8223e-01 6575 1 1 1 1 63 GLY C 47.270 M 174.04 1.94 0.0000e+00 6575 1 1 1 1 63 GLY CA 47.270 . 45.33 1.42 1.7188e-01 6575 1 1 1 1 63 GLY H 9.010 . 8.34 0.74 3.6525e-01 6575 1 1 1 1 63 GLY HA2 3.846 . 3.95 0.4 7.9486e-01 6575 1 1 1 1 63 GLY HA3 3.728 . 3.93 0.4 6.1356e-01 6575 1 1 1 1 63 GLY N 117.197 . 109.91 4.29 8.9394e-02 6575 1 1 1 1 73 LEU C 174.775 . 176.97 2.09 2.9361e-01 6575 1 1 1 1 73 LEU CA 58.918 . 55.65 2.21 1.3921e-01 6575 1 1 1 1 73 LEU CB 41.872 . 42.37 1.86 7.8890e-01 6575 1 1 1 1 73 LEU CG 29.346 . 26.77 1.25 3.9322e-02 6575 1 1 1 1 73 LEU CD1 23.000 . 24.73 1.71 3.1168e-01 6575 1 1 1 1 73 LEU CD2 27.425 . 24.1 1.78 6.1765e-02 6575 1 1 1 1 73 LEU H 6.585 . 8.22 0.65 1.1890e-02 6575 1 1 1 1 73 LEU HA 1.880 M 4.32 0.47 2.0862e-07 6575 1 1 1 1 73 LEU HB2 0.756 . 1.63 0.34 1.0153e-02 6575 1 1 1 1 73 LEU HB3 1.483 . 1.57 0.36 8.0904e-01 6575 1 1 1 1 73 LEU HG 0.682 . 1.54 0.33 9.3224e-03 6575 1 1 1 1 73 LEU HD1 0.295 . 0.77 0.27 7.8534e-02 6575 1 1 1 1 73 LEU HD2 1.057 . 0.76 0.28 2.8882e-01 6575 1 1 1 1 73 LEU N 122.996 . 121.98 4.07 8.0287e-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 6575 1 1 1 1 49 LYS CYS 0.6 6575 1 1 1 1 49 LYS LYS 0.34 6575 1 1 1 1 49 LYS ARG 0.02 6575 1 1 1 1 49 LYS ALA 0.01 6575 1 1 1 1 63 GLY GLY 0.7 6575 1 1 1 1 63 GLY CYS 0.21 6575 1 1 1 1 63 GLY LEU 0.03 6575 1 1 1 1 63 GLY ALA 0.01 6575 1 1 1 1 63 GLY PRO 0.01 6575 1 1 1 1 73 LEU CYS 0.43 6575 1 1 1 1 73 LEU ARG 0.39 6575 1 1 1 1 73 LEU LYS 0.11 6575 1 1 1 1 73 LEU LEU 0.03 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6575 _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 6575 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 6575 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6575 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6575 _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_