data_AVS_bmrb_pdb_report_6232 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6232 _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 6232 1 1 1 1 28 SER Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 6232 1 1 1 1 34 GLN Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6232 1 1 1 1 64 THR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6232 1 1 1 1 70 LYS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6232 1 1 1 1 80 ILE 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 6232 1 1 1 1 28 SER CA 67.362 M 58.57 2.12 3.3661e-05 6232 1 1 1 1 28 SER CB 65.793 . 63.8 1.57 2.0429e-01 6232 1 1 1 1 28 SER H 8.276 . 8.29 0.62 9.8198e-01 6232 1 1 1 1 28 SER N 117.070 . 116.3 3.95 8.4544e-01 6232 1 1 1 1 34 GLN CA 61.968 M 56.62 2.19 1.4606e-02 6232 1 1 1 1 34 GLN CB 31.468 . 29.1 1.97 2.2935e-01 6232 1 1 1 1 34 GLN H 8.379 . 8.22 0.62 7.9760e-01 6232 1 1 1 1 34 GLN N 116.493 . 119.92 4.01 3.9277e-01 6232 1 1 1 1 64 THR CA 70.156 M 62.15 2.72 3.2465e-03 6232 1 1 1 1 64 THR CB 70.44 . 69.64 1.7 6.3793e-01 6232 1 1 1 1 64 THR H 7.862 . 8.27 0.62 5.1050e-01 6232 1 1 1 1 64 THR N 117.469 . 115.7 5.05 7.2612e-01 6232 1 1 1 1 70 LYS CA 63.316 M 56.84 2.25 3.9992e-03 6232 1 1 1 1 70 LYS CB 32.486 . 32.83 1.88 8.5481e-01 6232 1 1 1 1 70 LYS H 7.825 . 8.22 0.64 5.3711e-01 6232 1 1 1 1 70 LYS N 119.194 . 121.16 4.11 6.3240e-01 6232 1 1 1 1 80 ILE CA 62.256 . 61.59 2.78 8.1066e-01 6232 1 1 1 1 80 ILE CB 45.011 M 38.58 2.09 2.0907e-03 6232 1 1 1 1 80 ILE H 8.701 . 8.26 0.71 5.3452e-01 6232 1 1 1 1 80 ILE N 129.965 . 121.6 4.72 7.6354e-02 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 6232 1 1 1 1 28 SER THR 0.99 6232 1 1 1 1 34 GLN VAL 0.56 6232 1 1 1 1 34 GLN ILE 0.17 6232 1 1 1 1 34 GLN ARG 0.07 6232 1 1 1 1 34 GLN GLU 0.06 6232 1 1 1 1 34 GLN LYS 0.03 6232 1 1 1 1 34 GLN HIS 0.03 6232 1 1 1 1 34 GLN MET 0.02 6232 1 1 1 1 34 GLN GLN 0.01 6232 1 1 1 1 64 THR THR 0.99 6232 1 1 1 1 70 LYS VAL 0.85 6232 1 1 1 1 70 LYS ILE 0.08 6232 1 1 1 1 70 LYS ARG 0.01 6232 1 1 1 1 70 LYS LYS 0.01 6232 1 1 1 1 70 LYS GLU 0.01 6232 1 1 1 1 80 ILE GLY 0.93 6232 1 1 1 1 80 ILE ARG 0.02 6232 1 1 1 1 80 ILE PHE 0.01 6232 1 1 1 1 80 ILE TYR 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6232 _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 6232 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 6232 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6232 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6232 _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_