data_AVS_bmrb_pdb_report_25155 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 25155 _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 5 LEU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 25155 1 1 1 1 22 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25155 1 1 1 1 107 LYS Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 25155 1 1 1 1 130 LYS Anomalous Suspicious Consistent Suspicious Anomalous Consistent . . 25155 1 1 1 1 142 LEU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 25155 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 5 LEU C 175.700 . 176.99 1.98 5.1471e-01 25155 1 1 1 1 5 LEU CA 53.320 . 55.62 2.13 2.8023e-01 25155 1 1 1 1 5 LEU CB 44.700 . 42.31 1.88 2.0363e-01 25155 1 1 1 1 5 LEU CG 27.880 . 26.78 1.1 3.1731e-01 25155 1 1 1 1 5 LEU CD1 24.720 . 24.72 1.59 1.0000e+00 25155 1 1 1 1 5 LEU H 8.917 . 8.23 0.65 2.9055e-01 25155 1 1 1 1 5 LEU HA 6.322 A 4.32 0.47 2.0482e-05 25155 1 1 1 1 5 LEU HB2 1.128 . 1.61 0.34 1.5629e-01 25155 1 1 1 1 5 LEU HB3 1.794 . 1.52 0.36 4.4659e-01 25155 1 1 1 1 5 LEU HG 0.907 . 1.51 0.33 6.7659e-02 25155 1 1 1 1 5 LEU HD11 1.120 . 0.75 0.28 1.8636e-01 25155 1 1 1 1 5 LEU HD12 1.120 . 0.75 0.28 1.8636e-01 25155 1 1 1 1 5 LEU HD13 1.120 . 0.75 0.28 1.8636e-01 25155 1 1 1 1 5 LEU N 131.175 . 121.86 3.9 1.6919e-02 25155 1 1 1 1 22 ARG C 177.268 . 176.41 2.03 6.7254e-01 25155 1 1 1 1 22 ARG CA 59.760 . 56.77 2.31 1.9554e-01 25155 1 1 1 1 22 ARG CB 28.900 . 30.7 1.83 3.2531e-01 25155 1 1 1 1 22 ARG CG 26.500 . 27.21 1.2 5.5407e-01 25155 1 1 1 1 22 ARG CD 43.700 . 43.16 0.88 5.3946e-01 25155 1 1 1 1 22 ARG H 7.920 . 8.24 0.61 5.9987e-01 25155 1 1 1 1 22 ARG HA 3.550 . 4.3 0.46 1.0301e-01 25155 1 1 1 1 22 ARG HB2 2.130 . 1.79 0.27 2.0794e-01 25155 1 1 1 1 22 ARG HB3 1.518 . 1.76 0.28 3.8743e-01 25155 1 1 1 1 22 ARG HG2 1.735 . 1.57 0.27 5.4113e-01 25155 1 1 1 1 22 ARG HG3 1.370 . 1.54 0.29 5.5774e-01 25155 1 1 1 1 22 ARG HD2 3.084 . 3.12 0.24 8.8076e-01 25155 1 1 1 1 22 ARG HD3 3.165 . 3.1 0.26 8.0259e-01 25155 1 1 1 1 22 ARG HE 7.140 . 7.4 0.63 6.7983e-01 25155 1 1 1 1 22 ARG N 119.433 . 120.8 3.68 7.1029e-01 25155 1 1 1 1 22 ARG NE 112.600 A 84.63 1.68 3.0868e-62 25155 1 1 1 1 107 LYS C 178.316 . 176.64 2 4.0203e-01 25155 1 1 1 1 107 LYS CA 58.750 . 56.95 2.2 4.1325e-01 25155 1 1 1 1 107 LYS CB 31.850 . 32.79 1.78 5.9744e-01 25155 1 1 1 1 107 LYS CG 23.730 . 24.89 1.13 3.0463e-01 25155 1 1 1 1 107 LYS CD 40.780 A 28.96 1.08 7.0650e-28 25155 1 1 1 1 107 LYS H 7.995 . 8.19 0.6 7.4518e-01 25155 1 1 1 1 107 LYS HA 4.100 . 4.27 0.44 6.9923e-01 25155 1 1 1 1 107 LYS HB2 1.917 . 1.78 0.25 5.8369e-01 25155 1 1 1 1 107 LYS HB3 1.715 . 1.74 0.27 9.2623e-01 25155 1 1 1 1 107 LYS HG2 1.160 . 1.37 0.26 4.1927e-01 25155 1 1 1 1 107 LYS HG3 0.876 . 1.35 0.28 9.0483e-02 25155 1 1 1 1 107 LYS N 121.660 . 121.05 3.77 8.7146e-01 25155 1 1 1 1 130 LYS C 176.890 . 176.64 2 9.0052e-01 25155 1 1 1 1 130 LYS CA 61.375 . 56.95 2.2 4.4287e-02 25155 1 1 1 1 130 LYS CB 30.350 . 32.79 1.78 1.7044e-01 25155 1 1 1 1 130 LYS CG 26.560 . 24.89 1.13 1.3944e-01 25155 1 1 1 1 130 LYS CD 41.980 A 28.96 1.08 1.8131e-33 25155 1 1 1 1 130 LYS H 8.430 . 8.19 0.6 6.8916e-01 25155 1 1 1 1 130 LYS HA 4.210 . 4.27 0.44 8.9153e-01 25155 1 1 1 1 130 LYS HB2 2.060 . 1.78 0.25 2.6271e-01 25155 1 1 1 1 130 LYS HB3 1.615 . 1.74 0.27 6.4339e-01 25155 1 1 1 1 130 LYS HG2 1.585 . 1.37 0.26 4.0828e-01 25155 1 1 1 1 130 LYS HG3 1.434 . 1.35 0.28 7.6418e-01 25155 1 1 1 1 130 LYS HD2 3.010 S 1.61 0.22 1.9703e-10 25155 1 1 1 1 130 LYS N 122.158 . 121.05 3.77 7.6883e-01 25155 1 1 1 1 142 LEU CA 55.600 . 55.62 2.13 9.9251e-01 25155 1 1 1 1 142 LEU CB 37.930 . 42.31 1.88 1.9817e-02 25155 1 1 1 1 142 LEU CG 25.692 . 26.78 1.1 3.2262e-01 25155 1 1 1 1 142 LEU CD1 20.176 . 24.72 1.59 4.2651e-03 25155 1 1 1 1 142 LEU CD2 24.660 . 24.05 1.7 7.1973e-01 25155 1 1 1 1 142 LEU H 7.643 . 8.23 0.65 3.6649e-01 25155 1 1 1 1 142 LEU HA 4.962 . 4.32 0.47 1.7195e-01 25155 1 1 1 1 142 LEU HB2 0.080 S 1.61 0.34 6.7953e-06 25155 1 1 1 1 142 LEU HB3 -1.635 A 1.52 0.36 1.8863e-18 25155 1 1 1 1 142 LEU HG 0.425 . 1.51 0.33 1.0095e-03 25155 1 1 1 1 142 LEU HD11 -0.888 S 0.75 0.28 4.9157e-09 25155 1 1 1 1 142 LEU HD12 -0.888 S 0.75 0.28 4.9157e-09 25155 1 1 1 1 142 LEU HD13 -0.888 S 0.75 0.28 4.9157e-09 25155 1 1 1 1 142 LEU HD21 -0.261 S 0.73 0.29 6.3259e-04 25155 1 1 1 1 142 LEU HD22 -0.261 S 0.73 0.29 6.3259e-04 25155 1 1 1 1 142 LEU HD23 -0.261 S 0.73 0.29 6.3259e-04 25155 1 1 1 1 142 LEU N 117.820 . 121.86 3.9 3.0025e-01 25155 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 5 LEU GLY 0.46 25155 1 1 1 1 5 LEU LEU 0.32 25155 1 1 1 1 5 LEU CYS 0.18 25155 1 1 1 1 5 LEU ARG 0.01 25155 1 1 1 1 22 ARG CYS 0.47 25155 1 1 1 1 22 ARG ARG 0.31 25155 1 1 1 1 22 ARG GLY 0.13 25155 1 1 1 1 22 ARG LYS 0.04 25155 1 1 1 1 22 ARG LEU 0.03 25155 1 1 1 1 107 LYS CYS 0.99 25155 1 1 1 1 130 LYS CYS 0.74 25155 1 1 1 1 130 LYS ARG 0.23 25155 1 1 1 1 130 LYS GLY 0.01 25155 1 1 1 1 142 LEU CYS 0.55 25155 1 1 1 1 142 LEU ALA 0.43 25155 1 1 1 1 142 LEU LEU 0.01 25155 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 25155 _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 25155 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 25155 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 25155 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 25155 _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_