data_AVS_bmrb_pdb_report_6147 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6147 _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 6147 1 1 1 1 30 PRO Anomalous Consistent Consistent Anomalous Consistent Indeterminable . . 6147 1 1 1 1 44 ILE Anomalous Suspicious Consistent Anomalous Suspicious Consistent . . 6147 1 1 1 1 120 ASN 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 6147 1 1 1 1 30 PRO C 179.335 . 176.7 1.69 1.1896e-01 6147 1 1 1 1 30 PRO CA 67.152 . 63.3 1.64 1.8835e-02 6147 1 1 1 1 30 PRO CB 30.873 . 31.81 1.54 5.4289e-01 6147 1 1 1 1 30 PRO HA 4.476 . 4.41 0.36 8.5454e-01 6147 1 1 1 1 30 PRO HB2 4.020 M 2.05 0.39 4.3885e-07 6147 1 1 1 1 44 ILE C 180.154 . 175.82 1.95 2.6245e-02 6147 1 1 1 1 44 ILE CA 66.676 . 61.59 2.78 6.7325e-02 6147 1 1 1 1 44 ILE CB 41.301 . 38.58 2.09 1.9295e-01 6147 1 1 1 1 44 ILE CG1 37.375 S 27.65 2.32 2.7674e-05 6147 1 1 1 1 44 ILE CG2 17.399 . 17.36 1.6 9.8055e-01 6147 1 1 1 1 44 ILE CD1 18.892 . 13.41 1.91 4.1027e-03 6147 1 1 1 1 44 ILE H 8.850 . 8.26 0.71 4.0598e-01 6147 1 1 1 1 44 ILE HA 4.220 . 4.2 0.56 9.7151e-01 6147 1 1 1 1 44 ILE HB 2.404 . 1.8 0.31 5.1369e-02 6147 1 1 1 1 44 ILE HG2 1.766 S 0.8 0.29 8.6524e-04 6147 1 1 1 1 44 ILE HG12 2.691 M 1.3 0.4 5.0611e-04 6147 1 1 1 1 44 ILE HG13 1.030 . 1.24 0.4 5.9958e-01 6147 1 1 1 1 44 ILE HD1 1.457 . 0.7 0.3 1.1625e-02 6147 1 1 1 1 44 ILE N 119.182 . 121.6 4.72 6.0845e-01 6147 1 1 1 1 120 ASN C 180.636 M 175.16 1.76 1.8623e-03 6147 1 1 1 1 120 ASN CA 55.431 . 53.43 1.94 3.0233e-01 6147 1 1 1 1 120 ASN CB 40.530 . 38.66 1.78 2.9346e-01 6147 1 1 1 1 120 ASN CG 179.445 M 176.61 1.33 3.3041e-02 6147 1 1 1 1 120 ASN H 7.501 . 8.37 0.65 1.8125e-01 6147 1 1 1 1 120 ASN HA 4.493 . 4.7 0.39 5.9558e-01 6147 1 1 1 1 120 ASN HB3 2.898 . 2.78 0.34 7.2855e-01 6147 1 1 1 1 120 ASN N 126.524 . 119.13 4.42 9.4357e-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 6147 1 1 1 1 30 PRO VAL 0.62 6147 1 1 1 1 30 PRO PRO 0.16 6147 1 1 1 1 30 PRO ILE 0.16 6147 1 1 1 1 30 PRO CYS 0.04 6147 1 1 1 1 44 ILE CYS 0.73 6147 1 1 1 1 44 ILE GLY 0.14 6147 1 1 1 1 44 ILE VAL 0.11 6147 1 1 1 1 120 ASN ASP 0.59 6147 1 1 1 1 120 ASN CYS 0.34 6147 1 1 1 1 120 ASN ASN 0.05 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6147 _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 6147 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 6147 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6147 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6147 _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_