data_AVS_bmrb_pdb_report_30511 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 30511 _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 1 GLY UNSUPPORTED . . . . . . . 30511 1 1 1 1 2 GLY UNSUPPORTED . . . . . . . 30511 1 1 1 1 3 GLY UNSUPPORTED . . . . . . . 30511 1 1 1 1 4 ALA UNSUPPORTED . . . . . . . 30511 1 1 1 1 5 U UNSUPPORTED . . . . . . . 30511 1 1 1 1 6 CYS UNSUPPORTED . . . . . . . 30511 1 1 1 1 7 U UNSUPPORTED . . . . . . . 30511 1 1 1 1 8 GLY UNSUPPORTED . . . . . . . 30511 1 1 1 1 9 U UNSUPPORTED . . . . . . . 30511 1 1 1 1 10 CYS UNSUPPORTED . . . . . . . 30511 1 1 1 1 11 ALA UNSUPPORTED . . . . . . . 30511 1 1 1 1 12 CYS UNSUPPORTED . . . . . . . 30511 1 1 1 1 13 CYS UNSUPPORTED . . . . . . . 30511 1 1 1 1 14 CYS UNSUPPORTED . . . . . . . 30511 1 1 1 1 15 CYS UNSUPPORTED . . . . . . . 30511 1 1 1 1 16 ALA UNSUPPORTED . . . . . . . 30511 1 1 1 1 17 U UNSUPPORTED . . . . . . . 30511 1 1 1 1 18 U UNSUPPORTED . . . . . . . 30511 1 1 1 1 19 GLY UNSUPPORTED . . . . . . . 30511 1 1 1 1 20 ALA UNSUPPORTED . . . . . . . 30511 1 1 1 1 21 U UNSUPPORTED . . . . . . . 30511 1 1 1 1 22 CYS UNSUPPORTED . . . . . . . 30511 1 1 1 1 23 GLY UNSUPPORTED . . . . . . . 30511 1 1 1 1 24 CYS UNSUPPORTED . . . . . . . 30511 1 1 1 1 25 CYS UNSUPPORTED . . . . . . . 30511 1 1 1 1 26 GLY UNSUPPORTED . . . . . . . 30511 1 1 1 1 27 ALA UNSUPPORTED . . . . . . . 30511 1 1 1 1 28 GLY UNSUPPORTED . . . . . . . 30511 1 1 1 1 29 ALA UNSUPPORTED . . . . . . . 30511 1 1 1 1 30 GLY UNSUPPORTED . . . . . . . 30511 1 1 1 1 31 GLY UNSUPPORTED . . . . . . . 30511 1 1 1 1 32 CYS UNSUPPORTED . . . . . . . 30511 1 1 1 1 33 U UNSUPPORTED . . . . . . . 30511 1 1 1 1 34 GLY UNSUPPORTED . . . . . . . 30511 1 1 1 1 35 ALA UNSUPPORTED . . . . . . . 30511 1 1 1 1 36 U UNSUPPORTED . . . . . . . 30511 1 1 1 1 37 CYS UNSUPPORTED . . . . . . . 30511 1 1 1 1 38 U UNSUPPORTED . . . . . . . 30511 1 1 1 1 39 GLY UNSUPPORTED . . . . . . . 30511 1 1 1 1 40 GLY UNSUPPORTED . . . . . . . 30511 1 1 1 1 41 RY UNSUPPORTED . . . . . . . 30511 1 1 1 1 42 U UNSUPPORTED . . . . . . . 30511 1 1 1 1 43 GLY UNSUPPORTED . . . . . . . 30511 1 1 1 1 44 GLY UNSUPPORTED . . . . . . . 30511 1 1 1 1 45 RY UNSUPPORTED . . . . . . . 30511 1 1 1 1 46 U UNSUPPORTED . . . . . . . 30511 1 1 1 1 47 ALA UNSUPPORTED . . . . . . . 30511 1 1 1 1 48 GLY UNSUPPORTED . . . . . . . 30511 1 1 1 1 49 GLY UNSUPPORTED . . . . . . . 30511 1 1 1 1 50 CYS UNSUPPORTED . . . . . . . 30511 1 1 1 1 51 GLY UNSUPPORTED . . . . . . . 30511 1 1 1 1 52 GLY UNSUPPORTED . . . . . . . 30511 1 1 1 1 53 GLY UNSUPPORTED . . . . . . . 30511 1 1 1 1 54 U UNSUPPORTED . . . . . . . 30511 1 1 1 1 55 CYS UNSUPPORTED . . . . . . . 30511 1 1 1 1 56 CYS UNSUPPORTED . . . . . . . 30511 1 1 1 1 57 CYS UNSUPPORTED . . . . . . . 30511 1 1 1 2 7 LYS Anomalous Consistent Consistent Unknown Consistent Anomalous . . 30511 1 1 1 2 8 LYS Anomalous Consistent Consistent Unknown Consistent Anomalous . . 30511 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 2 7 LYS CA 55.905 . 56.95 2.2 6.3479e-01 30511 1 1 1 2 7 LYS CB 32.9099 . 32.79 1.78 9.4630e-01 30511 1 1 1 2 7 LYS CG 24.5475 . 24.89 1.13 7.6182e-01 30511 1 1 1 2 7 LYS CD 28.9999 . 28.96 1.08 9.7053e-01 30511 1 1 1 2 7 LYS CE 41.8043 . 41.89 0.82 9.1676e-01 30511 1 1 1 2 7 LYS H 8.3041 . 8.19 0.6 8.4918e-01 30511 1 1 1 2 7 LYS HA 4.1437 . 4.27 0.44 7.7408e-01 30511 1 1 1 2 7 LYS HB2 1.6018 . 1.78 0.25 4.7597e-01 30511 1 1 1 2 7 LYS HB3 1.545 . 1.74 0.27 4.7016e-01 30511 1 1 1 2 7 LYS HG2 1.2623 . 1.37 0.26 6.7870e-01 30511 1 1 1 2 7 LYS HG3 1.2298 . 1.35 0.28 6.6772e-01 30511 1 1 1 2 7 LYS HD2 1.5228 . 1.61 0.22 6.9184e-01 30511 1 1 1 2 7 LYS HD3 1.5029 . 1.6 0.22 6.5895e-01 30511 1 1 1 2 7 LYS HE2 2.8722 . 2.92 0.19 8.0137e-01 30511 1 1 1 2 7 LYS HE3 2.8295 . 2.91 0.2 6.8732e-01 30511 1 1 1 2 7 LYS HZ1 7.4648 U . 0 . 30511 1 1 1 2 7 LYS HZ2 7.4648 U . 0 . 30511 1 1 1 2 7 LYS HZ3 7.4648 U . 0 . 30511 1 1 1 2 7 LYS N 123.5282 . 121.05 3.77 5.1096e-01 30511 1 1 1 2 7 LYS NZ 47.3444 A 33.81 2.81 1.4609e-06 30511 1 1 1 2 8 LYS CA 56.0845 . 56.95 2.2 6.9402e-01 30511 1 1 1 2 8 LYS CB 33.1599 . 32.79 1.78 8.3538e-01 30511 1 1 1 2 8 LYS CG 24.3261 . 24.89 1.13 6.1776e-01 30511 1 1 1 2 8 LYS CD 28.8473 . 28.96 1.08 9.1689e-01 30511 1 1 1 2 8 LYS CE 41.8676 . 41.89 0.82 9.7821e-01 30511 1 1 1 2 8 LYS H 8.248 . 8.19 0.6 9.2299e-01 30511 1 1 1 2 8 LYS HA 3.9599 . 4.27 0.44 4.8095e-01 30511 1 1 1 2 8 LYS HB2 1.5889 . 1.78 0.25 4.4463e-01 30511 1 1 1 2 8 LYS HB3 1.5525 . 1.74 0.27 4.8740e-01 30511 1 1 1 2 8 LYS HG2 1.177 . 1.37 0.26 4.5790e-01 30511 1 1 1 2 8 LYS HG3 1.1266 . 1.35 0.28 4.2495e-01 30511 1 1 1 2 8 LYS HD2 1.5242 . 1.61 0.22 6.9654e-01 30511 1 1 1 2 8 LYS HD3 1.4923 . 1.6 0.22 6.2446e-01 30511 1 1 1 2 8 LYS HE2 2.6666 . 2.92 0.19 1.8231e-01 30511 1 1 1 2 8 LYS HE3 2.5369 . 2.91 0.2 6.2112e-02 30511 1 1 1 2 8 LYS HZ1 7.5735 U . 0 . 30511 1 1 1 2 8 LYS HZ2 7.5735 U . 0 . 30511 1 1 1 2 8 LYS HZ3 7.5735 U . 0 . 30511 1 1 1 2 8 LYS N 125.4019 . 121.05 3.77 2.4836e-01 30511 1 1 1 2 8 LYS NZ 47.1983 A 33.81 2.81 1.8930e-06 30511 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 2 7 LYS LYS 0.5 30511 1 1 1 2 7 LYS CYS 0.39 30511 1 1 1 2 7 LYS ARG 0.09 30511 1 1 1 2 8 LYS LYS 0.49 30511 1 1 1 2 8 LYS CYS 0.39 30511 1 1 1 2 8 LYS ARG 0.1 30511 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 30511 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 2011-12-10 _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 30511 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 30511 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 30511 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 30511 _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_