data_AVS_bmrb_pdb_report_16984 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16984 _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 16 TRP Anomalous Consistent Consistent Indeterminable Anomalous Indeterminable . . 16984 1 1 1 1 21 LYS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16984 1 1 1 1 27 ALA Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16984 1 1 1 1 28 LYS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16984 1 1 1 1 55 LEU Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16984 1 1 1 1 78 ALA Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16984 1 1 1 1 82 LYS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16984 1 1 1 1 100 LYS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16984 1 1 1 1 116 ALA Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16984 1 1 1 1 119 ALA Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16984 1 1 1 1 128 LYS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16984 1 1 1 1 146 ALA Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16984 1 1 1 1 181 LEU Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16984 1 1 1 1 192 PRO Anomalous Indeterminable Consistent Indeterminable Anomalous Indeterminable . . 16984 1 1 1 1 206 MET Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16984 1 1 1 1 211 ALA Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16984 1 1 1 1 213 ALA Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16984 1 1 1 1 217 LYS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16984 1 1 1 1 230 PRO Anomalous Consistent Consistent Indeterminable Anomalous Indeterminable . . 16984 1 1 1 1 234 LYS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16984 1 1 1 1 249 PRO Anomalous Consistent Consistent Indeterminable Anomalous Indeterminable . . 16984 1 1 1 1 272 LEU Anomalous Suspicious Consistent Indeterminable Anomalous Indeterminable . . 16984 1 1 1 2 1 AOS UNSUPPORTED . . . . . . . 16984 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 16 TRP C 170.124 A 176.1 1.89 1.5674e-03 16984 1 1 1 1 16 TRP CA 55.056 . 57.71 2.65 3.1658e-01 16984 1 1 1 1 21 LYS C 169.693 A 176.46 2.05 9.6349e-04 16984 1 1 1 1 21 LYS CA 56.035 . 56.84 2.25 7.2051e-01 16984 1 1 1 1 21 LYS CB 28.511 . 32.83 1.88 2.1599e-02 16984 1 1 1 1 21 LYS H 7.792 . 8.22 0.64 5.0366e-01 16984 1 1 1 1 21 LYS N 118.161 . 121.16 4.11 4.6558e-01 16984 1 1 1 1 27 ALA C 168.405 A 177.8 2.18 1.6353e-05 16984 1 1 1 1 27 ALA CA 52.511 . 53.16 2.06 7.5272e-01 16984 1 1 1 1 27 ALA CB 14.159 . 18.9 1.85 1.0386e-02 16984 1 1 1 1 27 ALA H 8.909 . 8.2 0.6 2.3734e-01 16984 1 1 1 1 27 ALA N 122.066 . 123.23 3.7 7.5307e-01 16984 1 1 1 1 28 LYS C 168.374 A 176.46 2.05 8.0003e-05 16984 1 1 1 1 28 LYS CA 55.958 . 56.84 2.25 6.9506e-01 16984 1 1 1 1 28 LYS CB 28.497 . 32.83 1.88 2.1178e-02 16984 1 1 1 1 28 LYS H 7.475 . 8.22 0.64 2.4440e-01 16984 1 1 1 1 28 LYS N 116.310 . 121.16 4.11 2.3798e-01 16984 1 1 1 1 55 LEU C 168.374 A 176.97 2.09 3.9069e-05 16984 1 1 1 1 55 LEU CA 54.512 . 55.65 2.21 6.0660e-01 16984 1 1 1 1 55 LEU CB 37.218 . 42.37 1.86 5.6075e-03 16984 1 1 1 1 55 LEU H 8.201 . 8.22 0.65 9.7668e-01 16984 1 1 1 1 55 LEU N 117.834 . 121.98 4.07 3.0836e-01 16984 1 1 1 1 78 ALA C 168.377 A 177.8 2.18 1.5429e-05 16984 1 1 1 1 78 ALA CA 53.316 . 53.16 2.06 9.3964e-01 16984 1 1 1 1 78 ALA CB 14.561 . 18.9 1.85 1.9006e-02 16984 1 1 1 1 78 ALA H 8.160 . 8.2 0.6 9.4685e-01 16984 1 1 1 1 78 ALA N 122.094 . 123.23 3.7 7.5882e-01 16984 1 1 1 1 82 LYS C 170.133 A 176.46 2.05 2.0264e-03 16984 1 1 1 1 82 LYS CA 56.290 . 56.84 2.25 8.0689e-01 16984 1 1 1 1 82 LYS CB 29.669 . 32.83 1.88 9.2689e-02 16984 1 1 1 1 82 LYS H 8.328 . 8.22 0.64 8.6599e-01 16984 1 1 1 1 82 LYS N 119.433 . 121.16 4.11 6.7434e-01 16984 1 1 1 1 100 LYS C 166.633 A 176.46 2.05 1.6377e-06 16984 1 1 1 1 100 LYS CA 56.369 . 56.84 2.25 8.3419e-01 16984 1 1 1 1 100 LYS CB 27.880 . 32.83 1.88 8.4640e-03 16984 1 1 1 1 100 LYS H 8.188 . 8.22 0.64 9.6012e-01 16984 1 1 1 1 100 LYS N 119.223 . 121.16 4.11 6.3743e-01 16984 1 1 1 1 116 ALA C 167.937 A 177.8 2.18 6.0592e-06 16984 1 1 1 1 116 ALA CA 51.078 . 53.16 2.06 3.1217e-01 16984 1 1 1 1 116 ALA CB 14.538 . 18.9 1.85 1.8382e-02 16984 1 1 1 1 116 ALA H 7.341 . 8.2 0.6 1.5224e-01 16984 1 1 1 1 116 ALA N 120.659 . 123.23 3.7 4.8714e-01 16984 1 1 1 1 119 ALA C 167.502 A 177.8 2.18 2.3142e-06 16984 1 1 1 1 119 ALA CA 52.099 . 53.16 2.06 6.0652e-01 16984 1 1 1 1 119 ALA CB 14.739 . 18.9 1.85 2.4500e-02 16984 1 1 1 1 119 ALA H 8.286 . 8.2 0.6 8.8603e-01 16984 1 1 1 1 119 ALA N 122.113 . 123.23 3.7 7.6273e-01 16984 1 1 1 1 128 LYS C 169.236 A 176.46 2.05 4.2524e-04 16984 1 1 1 1 128 LYS CA 53.856 . 56.84 2.25 1.8477e-01 16984 1 1 1 1 128 LYS CB 28.136 . 32.83 1.88 1.2532e-02 16984 1 1 1 1 128 LYS H 7.912 . 8.22 0.64 6.3034e-01 16984 1 1 1 1 128 LYS N 118.083 . 121.16 4.11 4.5406e-01 16984 1 1 1 1 146 ALA C 167.475 A 177.8 2.18 2.1772e-06 16984 1 1 1 1 146 ALA CA 52.479 . 53.16 2.06 7.4096e-01 16984 1 1 1 1 146 ALA CB 16.219 . 18.9 1.85 1.4728e-01 16984 1 1 1 1 146 ALA H 9.917 . 8.2 0.6 4.2142e-03 16984 1 1 1 1 146 ALA N 129.883 . 123.23 3.7 7.2160e-02 16984 1 1 1 1 181 LEU C 168.376 A 176.97 2.09 3.9231e-05 16984 1 1 1 1 181 LEU CA 56.095 . 55.65 2.21 8.4042e-01 16984 1 1 1 1 181 LEU CB 38.551 . 42.37 1.86 4.0051e-02 16984 1 1 1 1 181 LEU H 7.824 . 8.22 0.65 5.4237e-01 16984 1 1 1 1 181 LEU N 120.584 . 121.98 4.07 7.3160e-01 16984 1 1 1 1 192 PRO C 170.570 A 176.7 1.69 2.8649e-04 16984 1 1 1 1 206 MET C 168.384 A 176.3 2.13 2.0206e-04 16984 1 1 1 1 206 MET CA 56.736 . 56.16 2.34 8.0556e-01 16984 1 1 1 1 206 MET CB 29.144 . 32.9 2.23 9.2123e-02 16984 1 1 1 1 206 MET H 8.500 . 8.26 0.6 6.8916e-01 16984 1 1 1 1 206 MET N 116.455 . 120.1 3.88 3.4751e-01 16984 1 1 1 1 211 ALA C 167.509 A 177.8 2.18 2.3510e-06 16984 1 1 1 1 211 ALA CA 52.303 . 53.16 2.06 6.7740e-01 16984 1 1 1 1 211 ALA CB 15.765 . 18.9 1.85 9.0152e-02 16984 1 1 1 1 211 ALA H 8.024 . 8.2 0.6 7.6927e-01 16984 1 1 1 1 211 ALA N 124.054 . 123.23 3.7 8.2377e-01 16984 1 1 1 1 213 ALA C 165.751 A 177.8 2.18 3.2563e-08 16984 1 1 1 1 213 ALA CA 51.847 . 53.16 2.06 5.2388e-01 16984 1 1 1 1 213 ALA CB 14.500 . 18.9 1.85 1.7389e-02 16984 1 1 1 1 213 ALA H 8.073 . 8.2 0.6 8.3237e-01 16984 1 1 1 1 213 ALA N 123.444 . 123.23 3.7 9.5388e-01 16984 1 1 1 1 217 LYS C 169.654 A 176.46 2.05 9.0017e-04 16984 1 1 1 1 217 LYS CA 52.297 . 56.84 2.25 4.3476e-02 16984 1 1 1 1 217 LYS CB 30.773 . 32.83 1.88 2.7389e-01 16984 1 1 1 1 217 LYS H 8.009 . 8.22 0.64 7.4164e-01 16984 1 1 1 1 217 LYS N 115.660 . 121.16 4.11 1.8083e-01 16984 1 1 1 1 230 PRO C 168.381 A 176.7 1.69 8.5452e-07 16984 1 1 1 1 230 PRO CA 63.980 . 63.3 1.64 6.7841e-01 16984 1 1 1 1 230 PRO CB 28.650 . 31.81 1.54 4.0175e-02 16984 1 1 1 1 234 LYS C 168.827 A 176.46 2.05 1.9655e-04 16984 1 1 1 1 234 LYS CA 55.757 . 56.84 2.25 6.3028e-01 16984 1 1 1 1 234 LYS CB 28.134 . 32.83 1.88 1.2494e-02 16984 1 1 1 1 234 LYS H 8.037 . 8.22 0.64 7.7493e-01 16984 1 1 1 1 234 LYS N 119.137 . 121.16 4.11 6.2257e-01 16984 1 1 1 1 249 PRO C 169.706 A 176.7 1.69 3.4964e-05 16984 1 1 1 1 249 PRO CA 60.760 . 63.3 1.64 1.2143e-01 16984 1 1 1 1 249 PRO CB 27.360 . 31.81 1.54 3.8572e-03 16984 1 1 1 1 272 LEU C 171.447 . 176.97 2.09 8.2276e-03 16984 1 1 1 1 272 LEU CA 56.300 . 55.65 2.21 7.6867e-01 16984 1 1 1 1 272 LEU CB 26.880 A 42.37 1.86 8.2249e-17 16984 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 16 TRP ASP 0.13 16984 1 1 1 1 16 TRP LEU 0.13 16984 1 1 1 1 16 TRP MET 0.1 16984 1 1 1 1 16 TRP CYS 0.08 16984 1 1 1 1 16 TRP GLN 0.07 16984 1 1 1 1 16 TRP ARG 0.07 16984 1 1 1 1 16 TRP LYS 0.07 16984 1 1 1 1 16 TRP ASN 0.06 16984 1 1 1 1 16 TRP ALA 0.05 16984 1 1 1 1 16 TRP TRP 0.05 16984 1 1 1 1 16 TRP GLU 0.04 16984 1 1 1 1 16 TRP TYR 0.04 16984 1 1 1 1 16 TRP PHE 0.04 16984 1 1 1 1 16 TRP SER 0.01 16984 1 1 1 1 21 LYS GLN 0.21 16984 1 1 1 1 21 LYS ARG 0.17 16984 1 1 1 1 21 LYS CYS 0.15 16984 1 1 1 1 21 LYS TRP 0.14 16984 1 1 1 1 21 LYS GLU 0.13 16984 1 1 1 1 21 LYS LEU 0.08 16984 1 1 1 1 21 LYS MET 0.03 16984 1 1 1 1 21 LYS ILE 0.03 16984 1 1 1 1 21 LYS LYS 0.01 16984 1 1 1 1 27 ALA MET 0.81 16984 1 1 1 1 27 ALA ALA 0.14 16984 1 1 1 1 27 ALA CYS 0.01 16984 1 1 1 1 27 ALA ILE 0.01 16984 1 1 1 1 28 LYS GLN 0.22 16984 1 1 1 1 28 LYS ARG 0.17 16984 1 1 1 1 28 LYS CYS 0.15 16984 1 1 1 1 28 LYS TRP 0.14 16984 1 1 1 1 28 LYS GLU 0.13 16984 1 1 1 1 28 LYS LEU 0.09 16984 1 1 1 1 28 LYS MET 0.03 16984 1 1 1 1 28 LYS ILE 0.02 16984 1 1 1 1 28 LYS LYS 0.01 16984 1 1 1 1 55 LEU CYS 0.27 16984 1 1 1 1 55 LEU ASN 0.26 16984 1 1 1 1 55 LEU GLU 0.12 16984 1 1 1 1 55 LEU TYR 0.12 16984 1 1 1 1 55 LEU PHE 0.06 16984 1 1 1 1 55 LEU MET 0.05 16984 1 1 1 1 55 LEU ASP 0.04 16984 1 1 1 1 55 LEU LYS 0.01 16984 1 1 1 1 55 LEU ILE 0.01 16984 1 1 1 1 78 ALA MET 0.81 16984 1 1 1 1 78 ALA ALA 0.14 16984 1 1 1 1 78 ALA ILE 0.02 16984 1 1 1 1 78 ALA CYS 0.01 16984 1 1 1 1 82 LYS GLN 0.18 16984 1 1 1 1 82 LYS GLU 0.16 16984 1 1 1 1 82 LYS TRP 0.16 16984 1 1 1 1 82 LYS ARG 0.16 16984 1 1 1 1 82 LYS CYS 0.15 16984 1 1 1 1 82 LYS MET 0.06 16984 1 1 1 1 82 LYS LYS 0.04 16984 1 1 1 1 82 LYS ILE 0.02 16984 1 1 1 1 82 LYS LEU 0.01 16984 1 1 1 1 100 LYS ARG 0.21 16984 1 1 1 1 100 LYS GLN 0.19 16984 1 1 1 1 100 LYS LEU 0.15 16984 1 1 1 1 100 LYS CYS 0.14 16984 1 1 1 1 100 LYS TRP 0.12 16984 1 1 1 1 100 LYS GLU 0.1 16984 1 1 1 1 100 LYS ILE 0.04 16984 1 1 1 1 100 LYS MET 0.01 16984 1 1 1 1 116 ALA MET 0.63 16984 1 1 1 1 116 ALA ALA 0.33 16984 1 1 1 1 116 ALA CYS 0.02 16984 1 1 1 1 119 ALA MET 0.68 16984 1 1 1 1 119 ALA ALA 0.28 16984 1 1 1 1 119 ALA CYS 0.01 16984 1 1 1 1 128 LYS GLN 0.19 16984 1 1 1 1 128 LYS LEU 0.19 16984 1 1 1 1 128 LYS CYS 0.18 16984 1 1 1 1 128 LYS ARG 0.18 16984 1 1 1 1 128 LYS TRP 0.11 16984 1 1 1 1 128 LYS GLU 0.07 16984 1 1 1 1 128 LYS MET 0.03 16984 1 1 1 1 146 ALA ALA 0.53 16984 1 1 1 1 146 ALA MET 0.44 16984 1 1 1 1 146 ALA CYS 0.01 16984 1 1 1 1 181 LEU CYS 0.22 16984 1 1 1 1 181 LEU TYR 0.22 16984 1 1 1 1 181 LEU PHE 0.17 16984 1 1 1 1 181 LEU ASN 0.11 16984 1 1 1 1 181 LEU ASP 0.09 16984 1 1 1 1 181 LEU GLU 0.06 16984 1 1 1 1 181 LEU ILE 0.04 16984 1 1 1 1 181 LEU LEU 0.03 16984 1 1 1 1 181 LEU MET 0.01 16984 1 1 1 1 206 MET GLN 0.17 16984 1 1 1 1 206 MET LYS 0.17 16984 1 1 1 1 206 MET TRP 0.14 16984 1 1 1 1 206 MET GLU 0.14 16984 1 1 1 1 206 MET CYS 0.13 16984 1 1 1 1 206 MET ARG 0.12 16984 1 1 1 1 206 MET MET 0.04 16984 1 1 1 1 206 MET ILE 0.03 16984 1 1 1 1 206 MET LEU 0.02 16984 1 1 1 1 211 ALA MET 0.5 16984 1 1 1 1 211 ALA ALA 0.47 16984 1 1 1 1 211 ALA CYS 0.01 16984 1 1 1 1 213 ALA MET 0.71 16984 1 1 1 1 213 ALA ALA 0.25 16984 1 1 1 1 213 ALA CYS 0.02 16984 1 1 1 1 217 LYS CYS 0.26 16984 1 1 1 1 217 LYS MET 0.15 16984 1 1 1 1 217 LYS ARG 0.14 16984 1 1 1 1 217 LYS PRO 0.11 16984 1 1 1 1 217 LYS TRP 0.1 16984 1 1 1 1 217 LYS GLN 0.09 16984 1 1 1 1 217 LYS LYS 0.06 16984 1 1 1 1 217 LYS GLU 0.05 16984 1 1 1 1 230 PRO ILE 0.61 16984 1 1 1 1 230 PRO CYS 0.11 16984 1 1 1 1 230 PRO PRO 0.1 16984 1 1 1 1 230 PRO VAL 0.09 16984 1 1 1 1 230 PRO TRP 0.04 16984 1 1 1 1 234 LYS GLN 0.2 16984 1 1 1 1 234 LYS ARG 0.19 16984 1 1 1 1 234 LYS CYS 0.15 16984 1 1 1 1 234 LYS LEU 0.14 16984 1 1 1 1 234 LYS TRP 0.12 16984 1 1 1 1 234 LYS GLU 0.1 16984 1 1 1 1 234 LYS ILE 0.02 16984 1 1 1 1 234 LYS MET 0.02 16984 1 1 1 1 234 LYS LYS 0.01 16984 1 1 1 1 249 PRO ILE 0.41 16984 1 1 1 1 249 PRO CYS 0.16 16984 1 1 1 1 249 PRO ARG 0.12 16984 1 1 1 1 249 PRO TRP 0.09 16984 1 1 1 1 249 PRO LYS 0.05 16984 1 1 1 1 249 PRO GLN 0.04 16984 1 1 1 1 249 PRO GLU 0.04 16984 1 1 1 1 249 PRO LEU 0.02 16984 1 1 1 1 272 LEU ARG 0.3 16984 1 1 1 1 272 LEU CYS 0.17 16984 1 1 1 1 272 LEU GLN 0.17 16984 1 1 1 1 272 LEU LYS 0.12 16984 1 1 1 1 272 LEU TRP 0.09 16984 1 1 1 1 272 LEU GLU 0.06 16984 1 1 1 1 272 LEU ILE 0.05 16984 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16984 _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.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 16984 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16984 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16984 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16984 _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_