data_AVS_bmrb_pdb_report_25847 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 25847 _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 2 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25847 1 1 1 1 4 HYP UNSUPPORTED . . . . . . . 25847 1 1 1 1 7 LYS Anomalous Consistent Consistent Unknown Suspicious Anomalous . . 25847 1 1 1 1 18 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25847 1 1 1 1 19 LYS Anomalous Consistent Consistent Unknown Consistent Anomalous . . 25847 1 1 1 1 22 ARG Anomalous Consistent Consistent Suspicious Consistent Anomalous . . 25847 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 1 2 ARG CA 55.603 . 56.77 2.31 6.1342e-01 25847 1 1 1 1 2 ARG CB 31.355 . 30.7 1.83 7.2040e-01 25847 1 1 1 1 2 ARG CG 29.001 . 27.21 1.2 1.3557e-01 25847 1 1 1 1 2 ARG CD 43.417 . 43.16 0.88 7.7025e-01 25847 1 1 1 1 2 ARG H 9.043 . 8.24 0.61 1.8804e-01 25847 1 1 1 1 2 ARG HA 4.548 . 4.3 0.46 5.8980e-01 25847 1 1 1 1 2 ARG HB2 1.921 . 1.79 0.27 6.2754e-01 25847 1 1 1 1 2 ARG HB3 1.907 . 1.76 0.28 5.9958e-01 25847 1 1 1 1 2 ARG HG2 1.695 . 1.57 0.27 6.4339e-01 25847 1 1 1 1 2 ARG HG3 1.672 . 1.54 0.29 6.4898e-01 25847 1 1 1 1 2 ARG HD2 3.028 . 3.12 0.24 7.0147e-01 25847 1 1 1 1 2 ARG HD3 3.425 . 3.1 0.26 2.1130e-01 25847 1 1 1 1 2 ARG HE 7.871 . 7.4 0.63 4.5469e-01 25847 1 1 1 1 2 ARG N 119.379 . 120.8 3.68 6.9939e-01 25847 1 1 1 1 2 ARG NE 121.191 A 84.63 1.68 0.0000e+00 25847 1 1 1 1 7 LYS CA 56.568 . 56.95 2.2 8.6215e-01 25847 1 1 1 1 7 LYS CB 32.908 . 32.79 1.78 9.4715e-01 25847 1 1 1 1 7 LYS CG 24.784 . 24.89 1.13 9.2526e-01 25847 1 1 1 1 7 LYS CD 24.786 S 28.96 1.08 1.1117e-04 25847 1 1 1 1 7 LYS CE 41.904 . 41.89 0.82 9.8638e-01 25847 1 1 1 1 7 LYS H 8.249 . 8.19 0.6 9.2167e-01 25847 1 1 1 1 7 LYS HA 4.735 . 4.27 0.44 2.9059e-01 25847 1 1 1 1 7 LYS HB2 1.706 . 1.78 0.25 7.6723e-01 25847 1 1 1 1 7 LYS HB3 1.755 . 1.74 0.27 9.5570e-01 25847 1 1 1 1 7 LYS HG2 1.317 . 1.37 0.26 8.3847e-01 25847 1 1 1 1 7 LYS HG3 1.309 . 1.35 0.28 8.8358e-01 25847 1 1 1 1 7 LYS HD2 1.516 . 1.61 0.22 6.6918e-01 25847 1 1 1 1 7 LYS HD3 1.502 . 1.6 0.22 6.5599e-01 25847 1 1 1 1 7 LYS HE3 2.949 . 2.91 0.2 8.4539e-01 25847 1 1 1 1 7 LYS HZ1 7.574 U . 0 . 25847 1 1 1 1 7 LYS HZ2 7.574 U . 0 . 25847 1 1 1 1 7 LYS HZ3 7.574 U . 0 . 25847 1 1 1 1 7 LYS N 120.910 . 121.05 3.77 9.7038e-01 25847 1 1 1 1 7 LYS NZ 113.011 A 33.81 2.81 0.0000e+00 25847 1 1 1 1 18 ARG CA 57.085 . 56.77 2.31 8.9153e-01 25847 1 1 1 1 18 ARG CB 27.190 . 30.7 1.83 5.5107e-02 25847 1 1 1 1 18 ARG CG 27.430 . 27.21 1.2 8.5454e-01 25847 1 1 1 1 18 ARG CD 42.864 . 43.16 0.88 7.3660e-01 25847 1 1 1 1 18 ARG H 7.634 . 8.24 0.61 3.2049e-01 25847 1 1 1 1 18 ARG HA 3.828 . 4.3 0.46 3.0485e-01 25847 1 1 1 1 18 ARG HB2 2.137 . 1.79 0.27 1.9873e-01 25847 1 1 1 1 18 ARG HB3 2.206 . 1.76 0.28 1.1119e-01 25847 1 1 1 1 18 ARG HG2 1.555 . 1.57 0.27 9.5570e-01 25847 1 1 1 1 18 ARG HG3 1.648 . 1.54 0.29 7.0958e-01 25847 1 1 1 1 18 ARG HD3 3.229 . 3.1 0.26 6.1979e-01 25847 1 1 1 1 18 ARG HE 7.391 . 7.4 0.63 9.8860e-01 25847 1 1 1 1 18 ARG N 112.083 . 120.8 3.68 1.7848e-02 25847 1 1 1 1 18 ARG NE 120.257 A 84.63 1.68 0.0000e+00 25847 1 1 1 1 19 LYS CA 55.999 . 56.95 2.2 6.6554e-01 25847 1 1 1 1 19 LYS CB 34.183 . 32.79 1.78 4.3387e-01 25847 1 1 1 1 19 LYS CG 24.738 . 24.89 1.13 8.9300e-01 25847 1 1 1 1 19 LYS H 7.830 . 8.19 0.6 5.4851e-01 25847 1 1 1 1 19 LYS HA 4.529 . 4.27 0.44 5.5611e-01 25847 1 1 1 1 19 LYS HB2 1.730 . 1.78 0.25 8.4148e-01 25847 1 1 1 1 19 LYS HB3 1.549 . 1.74 0.27 4.7931e-01 25847 1 1 1 1 19 LYS HG2 1.190 . 1.37 0.26 4.8874e-01 25847 1 1 1 1 19 LYS HG3 1.255 . 1.35 0.28 7.3439e-01 25847 1 1 1 1 19 LYS HD3 1.659 . 1.6 0.22 7.8856e-01 25847 1 1 1 1 19 LYS HZ1 7.858 U . 0 . 25847 1 1 1 1 19 LYS HZ2 7.858 U . 0 . 25847 1 1 1 1 19 LYS HZ3 7.858 U . 0 . 25847 1 1 1 1 19 LYS N 120.071 . 121.05 3.77 7.9511e-01 25847 1 1 1 1 19 LYS NZ 121.189 A 33.81 2.81 0.0000e+00 25847 1 1 1 1 22 ARG CA 57.404 . 56.77 2.31 7.8373e-01 25847 1 1 1 1 22 ARG CB 28.907 . 30.7 1.83 3.2719e-01 25847 1 1 1 1 22 ARG CG 25.672 . 27.21 1.2 1.9996e-01 25847 1 1 1 1 22 ARG CD 43.059 . 43.16 0.88 9.0863e-01 25847 1 1 1 1 22 ARG H 8.190 . 8.24 0.61 9.3467e-01 25847 1 1 1 1 22 ARG HA 4.059 . 4.3 0.46 6.0034e-01 25847 1 1 1 1 22 ARG HB2 1.656 . 1.79 0.27 6.1969e-01 25847 1 1 1 1 22 ARG HB3 1.482 . 1.76 0.28 3.2078e-01 25847 1 1 1 1 22 ARG HG2 1.166 . 1.57 0.27 1.3458e-01 25847 1 1 1 1 22 ARG HG3 0.538 S 1.54 0.29 5.4994e-04 25847 1 1 1 1 22 ARG HD2 2.942 . 3.12 0.24 4.5829e-01 25847 1 1 1 1 22 ARG HD3 2.918 . 3.1 0.26 4.8393e-01 25847 1 1 1 1 22 ARG HE 6.960 . 7.4 0.63 4.8492e-01 25847 1 1 1 1 22 ARG N 114.600 . 120.8 3.68 9.2031e-02 25847 1 1 1 1 22 ARG NE 119.731 A 84.63 1.68 0.0000e+00 25847 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 1 2 ARG CYS 0.39 25847 1 1 1 1 2 ARG ARG 0.33 25847 1 1 1 1 2 ARG LYS 0.18 25847 1 1 1 1 2 ARG GLY 0.08 25847 1 1 1 1 7 LYS CYS 0.86 25847 1 1 1 1 7 LYS ARG 0.1 25847 1 1 1 1 7 LYS LYS 0.01 25847 1 1 1 1 7 LYS GLY 0.01 25847 1 1 1 1 18 ARG CYS 0.37 25847 1 1 1 1 18 ARG LEU 0.28 25847 1 1 1 1 18 ARG ARG 0.24 25847 1 1 1 1 18 ARG LYS 0.06 25847 1 1 1 1 18 ARG GLY 0.03 25847 1 1 1 1 19 LYS LYS 0.47 25847 1 1 1 1 19 LYS CYS 0.42 25847 1 1 1 1 19 LYS GLN 0.05 25847 1 1 1 1 19 LYS ARG 0.02 25847 1 1 1 1 22 ARG CYS 0.33 25847 1 1 1 1 22 ARG LYS 0.26 25847 1 1 1 1 22 ARG ARG 0.25 25847 1 1 1 1 22 ARG LEU 0.11 25847 1 1 1 1 22 ARG GLY 0.03 25847 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 25847 _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 25847 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 25847 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 25847 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 25847 _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_