data_AVS_bmrb_pdb_report_15718 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15718 _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 15718 1 1 1 1 23 ARG Anomalous Consistent Suspicious Anomalous Consistent Consistent "HD2 > HB2" 0.9950 15718 1 1 1 1 23 ARG . . . . . . "HD2 > HB3" 0.9951 15718 1 1 1 1 23 ARG . . . . . . "HD2 > HG3" 0.9983 15718 1 1 1 1 102 ARG Anomalous Consistent Suspicious Anomalous Consistent Consistent "HD2 > HB2" 0.9950 15718 1 1 1 1 102 ARG . . . . . . "HD3 > HB2" 0.9950 15718 1 1 1 1 102 ARG . . . . . . "HD2 > HB3" 0.9951 15718 1 1 1 1 102 ARG . . . . . . "HD3 > HB3" 0.9958 15718 1 1 1 1 103 ARG Anomalous Consistent Consistent Anomalous Consistent Consistent . . 15718 1 1 1 1 104 ARG Anomalous Consistent Suspicious Anomalous Consistent Consistent "HD2 > HB2" 0.9950 15718 1 1 1 1 104 ARG . . . . . . "HD2 > HB3" 0.9951 15718 1 1 1 1 104 ARG . . . . . . "HD2 > HG2" 0.9976 15718 1 1 1 1 104 ARG . . . . . . "HD2 > HG3" 0.9983 15718 1 1 1 1 108 ARG Anomalous Consistent Suspicious Anomalous Consistent Consistent "HD2 > HB2" 0.9950 15718 1 1 1 1 108 ARG . . . . . . "HD2 > HB3" 0.9951 15718 1 1 1 1 108 ARG . . . . . . "HD2 > HG2" 0.9976 15718 1 1 1 1 108 ARG . . . . . . "HD3 > HG2" 0.9974 15718 1 1 1 1 108 ARG . . . . . . "HD2 > HG3" 0.9983 15718 1 1 1 1 108 ARG . . . . . . "HD3 > HG3" 0.9982 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 15718 1 1 1 1 23 ARG C 175.543 . 176.49 2.16 6.6108e-01 15718 1 1 1 1 23 ARG CA 54.853 . 56.95 2.41 3.8423e-01 15718 1 1 1 1 23 ARG CB 33.087 . 30.66 1.77 1.7032e-01 15718 1 1 1 1 23 ARG CG 24.468 . 27.31 1.65 8.4993e-02 15718 1 1 1 1 23 ARG CD 45.181 . 43.1 1.1 5.8515e-02 15718 1 1 1 1 23 ARG H 8.457 . 8.24 0.6 7.1760e-01 15718 1 1 1 1 23 ARG HA 4.504 . 4.27 0.44 5.9485e-01 15718 1 1 1 1 23 ARG HB2 0.715 S 1.79 0.28 1.2339e-04 15718 1 1 1 1 23 ARG HB3 0.816 S 1.78 0.28 5.7560e-04 15718 1 1 1 1 23 ARG HG2 0.077 S 1.58 0.27 2.5966e-08 15718 1 1 1 1 23 ARG HG3 0.335 S 1.58 0.27 4.0052e-06 15718 1 1 1 1 23 ARG HD2 0.307 M 3.13 0.23 1.2506e-34 15718 1 1 1 1 23 ARG HD3 2.064 S 3.13 0.22 1.2632e-06 15718 1 1 1 1 23 ARG HE 6.011 . 7.32 0.52 1.1826e-02 15718 1 1 1 1 23 ARG N 117.285 . 120.61 3.9 3.9390e-01 15718 1 1 1 1 23 ARG NE 85.623 . 89.8 12.83 7.4475e-01 15718 1 1 1 1 102 ARG C 174.026 . 176.49 2.16 2.5398e-01 15718 1 1 1 1 102 ARG CA 54.707 . 56.95 2.41 3.5201e-01 15718 1 1 1 1 102 ARG CB 33.594 . 30.66 1.77 9.7393e-02 15718 1 1 1 1 102 ARG CG 24.197 . 27.31 1.65 5.9205e-02 15718 1 1 1 1 102 ARG CD 43.532 . 43.1 1.1 6.9452e-01 15718 1 1 1 1 102 ARG H 8.993 . 8.24 0.6 2.0948e-01 15718 1 1 1 1 102 ARG HA 5.726 S 4.27 0.44 9.3599e-04 15718 1 1 1 1 102 ARG HB2 0.553 S 1.79 0.28 9.9684e-06 15718 1 1 1 1 102 ARG HB3 0.685 S 1.78 0.28 9.2024e-05 15718 1 1 1 1 102 ARG HG2 -0.099 S 1.58 0.27 5.0187e-10 15718 1 1 1 1 102 ARG HG3 -0.099 S 1.58 0.27 5.0187e-10 15718 1 1 1 1 102 ARG HD2 0.126 M 3.13 0.23 5.5095e-39 15718 1 1 1 1 102 ARG HD3 0.433 M 3.13 0.22 1.5018e-34 15718 1 1 1 1 102 ARG N 119.259 . 120.61 3.9 7.2903e-01 15718 1 1 1 1 103 ARG C 173.610 . 176.49 2.16 1.8242e-01 15718 1 1 1 1 103 ARG CA 54.319 . 56.95 2.41 2.7496e-01 15718 1 1 1 1 103 ARG CB 34.372 . 30.66 1.77 3.5978e-02 15718 1 1 1 1 103 ARG CG 25.066 . 27.31 1.65 1.7383e-01 15718 1 1 1 1 103 ARG CD 43.963 . 43.1 1.1 4.3272e-01 15718 1 1 1 1 103 ARG H 9.086 . 8.24 0.6 1.5854e-01 15718 1 1 1 1 103 ARG HA 6.121 M 4.27 0.44 2.5899e-05 15718 1 1 1 1 103 ARG HB2 1.347 . 1.79 0.28 1.1362e-01 15718 1 1 1 1 103 ARG HB3 1.521 . 1.78 0.28 3.5497e-01 15718 1 1 1 1 103 ARG HG2 0.414 S 1.58 0.27 1.5708e-05 15718 1 1 1 1 103 ARG HG3 0.805 . 1.58 0.27 4.0999e-03 15718 1 1 1 1 103 ARG HD2 1.863 S 3.13 0.23 3.6150e-08 15718 1 1 1 1 103 ARG HD3 1.863 S 3.13 0.22 8.4568e-09 15718 1 1 1 1 103 ARG HE 6.660 . 7.32 0.52 2.0436e-01 15718 1 1 1 1 103 ARG N 119.266 . 120.61 3.9 7.3038e-01 15718 1 1 1 1 103 ARG NE 85.749 . 89.8 12.83 7.5220e-01 15718 1 1 1 1 104 ARG C 172.938 . 176.49 2.16 1.0008e-01 15718 1 1 1 1 104 ARG CA 53.826 . 56.95 2.41 1.9488e-01 15718 1 1 1 1 104 ARG CB 35.440 . 30.66 1.77 6.9222e-03 15718 1 1 1 1 104 ARG CG 24.135 . 27.31 1.65 5.4324e-02 15718 1 1 1 1 104 ARG CD 44.020 . 43.1 1.1 4.0295e-01 15718 1 1 1 1 104 ARG H 8.631 . 8.24 0.6 5.1462e-01 15718 1 1 1 1 104 ARG HA 4.559 . 4.27 0.44 5.1130e-01 15718 1 1 1 1 104 ARG HB2 0.645 S 1.79 0.28 4.3270e-05 15718 1 1 1 1 104 ARG HB3 0.646 S 1.78 0.28 5.1218e-05 15718 1 1 1 1 104 ARG HG2 0.515 S 1.58 0.27 7.9985e-05 15718 1 1 1 1 104 ARG HG3 0.697 . 1.58 0.27 1.0741e-03 15718 1 1 1 1 104 ARG HD2 0.432 M 3.13 0.23 8.9000e-32 15718 1 1 1 1 104 ARG HD3 1.679 S 3.13 0.22 4.2395e-11 15718 1 1 1 1 104 ARG HE 5.348 S 7.32 0.52 1.4925e-04 15718 1 1 1 1 104 ARG N 118.215 . 120.61 3.9 5.3915e-01 15718 1 1 1 1 104 ARG NE 83.405 . 89.8 12.83 6.1817e-01 15718 1 1 1 1 108 ARG C 173.911 . 176.49 2.16 2.3249e-01 15718 1 1 1 1 108 ARG CA 57.493 . 56.95 2.41 8.2174e-01 15718 1 1 1 1 108 ARG CB 30.453 . 30.66 1.77 9.0690e-01 15718 1 1 1 1 108 ARG CG 28.159 . 27.31 1.65 6.0687e-01 15718 1 1 1 1 108 ARG CD 40.845 . 43.1 1.1 4.0364e-02 15718 1 1 1 1 108 ARG H 7.657 . 8.24 0.6 3.3122e-01 15718 1 1 1 1 108 ARG HA 3.800 . 4.27 0.44 2.8544e-01 15718 1 1 1 1 108 ARG HB2 -0.307 S 1.79 0.28 6.9249e-14 15718 1 1 1 1 108 ARG HB3 -0.486 M 1.78 0.28 5.8281e-16 15718 1 1 1 1 108 ARG HG2 0.716 . 1.58 0.27 1.3743e-03 15718 1 1 1 1 108 ARG HG3 0.716 . 1.58 0.27 1.3743e-03 15718 1 1 1 1 108 ARG HD2 -0.491 M 3.13 0.23 7.6141e-56 15718 1 1 1 1 108 ARG HD3 0.100 M 3.13 0.22 3.7190e-43 15718 1 1 1 1 108 ARG HE 5.162 S 7.32 0.52 3.3248e-05 15718 1 1 1 1 108 ARG N 120.223 . 120.61 3.9 9.2096e-01 15718 1 1 1 1 108 ARG NE 83.171 . 89.8 12.83 6.0538e-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 15718 1 1 1 1 23 ARG GLY 0.52 15718 1 1 1 1 23 ARG CYS 0.42 15718 1 1 1 1 23 ARG ARG 0.03 15718 1 1 1 1 102 ARG CYS 0.51 15718 1 1 1 1 102 ARG LYS 0.24 15718 1 1 1 1 102 ARG GLY 0.14 15718 1 1 1 1 102 ARG ARG 0.08 15718 1 1 1 1 103 ARG CYS 0.53 15718 1 1 1 1 103 ARG GLY 0.27 15718 1 1 1 1 103 ARG LYS 0.11 15718 1 1 1 1 103 ARG ARG 0.07 15718 1 1 1 1 104 ARG CYS 0.56 15718 1 1 1 1 104 ARG GLY 0.35 15718 1 1 1 1 104 ARG LYS 0.05 15718 1 1 1 1 104 ARG ALA 0.01 15718 1 1 1 1 108 ARG CYS 0.47 15718 1 1 1 1 108 ARG LYS 0.32 15718 1 1 1 1 108 ARG ARG 0.18 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15718 _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 15718 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 15718 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 15718 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15718 _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_