################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 27699 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 5 _Assigned_chem_shift_list.Sample_condition_list_label $CondSet17 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC/HMQC' . . . 27699 1 2 '3D HNCO' . . . 27699 1 3 'HNCACO (H[N[ca[CO]]])' . . . 27699 1 4 '3D HNCACB' . . . 27699 1 5 'HNCOCACB (H[N[co[{CA|ca[C]}]]])' . . . 27699 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CcpNmr_Analysis . . 27699 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER C C 13 171.689 . . 1 . . 295 . . 2 SER C . 27699 1 2 . 1 1 2 2 SER CA C 13 57.753 . . 1 . . 356 . . 2 SER CA . 27699 1 3 . 1 1 2 2 SER CB C 13 63.790 . . 1 . . 357 . . 2 SER CB . 27699 1 4 . 1 1 3 3 VAL H H 1 8.634 0.012 . 1 . . 25 . . 3 VAL H . 27699 1 5 . 1 1 3 3 VAL C C 13 176.203 0.0 . 1 . . 334 . . 3 VAL C . 27699 1 6 . 1 1 3 3 VAL CA C 13 62.871 0.038 . 1 . . 355 . . 3 VAL CA . 27699 1 7 . 1 1 3 3 VAL CB C 13 33.179 0.016 . 1 . . 491 . . 3 VAL CB . 27699 1 8 . 1 1 3 3 VAL N N 15 121.011 0.032 . 1 . . 26 . . 3 VAL N . 27699 1 9 . 1 1 4 4 GLU H H 1 8.677 0.009 . 1 . . 170 . . 4 GLU H . 27699 1 10 . 1 1 4 4 GLU C C 13 176.601 0.0 . 1 . . 279 . . 4 GLU C . 27699 1 11 . 1 1 4 4 GLU CA C 13 56.754 0.01 . 1 . . 492 . . 4 GLU CA . 27699 1 12 . 1 1 4 4 GLU CB C 13 30.411 0.016 . 1 . . 490 . . 4 GLU CB . 27699 1 13 . 1 1 4 4 GLU N N 15 125.254 0.016 . 1 . . 171 . . 4 GLU N . 27699 1 14 . 1 1 5 5 LEU H H 1 8.411 0.01 . 1 . . 103 . . 5 LEU H . 27699 1 15 . 1 1 5 5 LEU C C 13 177.702 0.006 . 1 . . 261 . . 5 LEU C . 27699 1 16 . 1 1 5 5 LEU CA C 13 55.514 0.001 . 1 . . 430 . . 5 LEU CA . 27699 1 17 . 1 1 5 5 LEU CB C 13 42.745 0.004 . 1 . . 431 . . 5 LEU CB . 27699 1 18 . 1 1 5 5 LEU N N 15 124.230 0.033 . 1 . . 104 . . 5 LEU N . 27699 1 19 . 1 1 6 6 GLU H H 1 8.585 0.009 . 1 . . 87 . . 6 GLU H . 27699 1 20 . 1 1 6 6 GLU C C 13 176.775 0.007 . 1 . . 325 . . 6 GLU C . 27699 1 21 . 1 1 6 6 GLU CA C 13 57.112 0.002 . 1 . . 418 . . 6 GLU CA . 27699 1 22 . 1 1 6 6 GLU CB C 13 30.518 0.005 . 1 . . 464 . . 6 GLU CB . 27699 1 23 . 1 1 6 6 GLU N N 15 122.616 0.033 . 1 . . 88 . . 6 GLU N . 27699 1 24 . 1 1 7 7 GLU H H 1 8.490 0.013 . 1 . . 133 . . 7 GLU H . 27699 1 25 . 1 1 7 7 GLU C C 13 175.996 0.095 . 1 . . 339 . . 7 GLU C . 27699 1 26 . 1 1 7 7 GLU CA C 13 56.637 0.047 . 1 . . 463 . . 7 GLU CA . 27699 1 27 . 1 1 7 7 GLU CB C 13 30.775 0.04 . 1 . . 462 . . 7 GLU CB . 27699 1 28 . 1 1 7 7 GLU N N 15 122.084 0.037 . 1 . . 134 . . 7 GLU N . 27699 1 29 . 1 1 8 8 ALA H H 1 8.405 0.015 . 1 . . 219 . . 8 ALA H . 27699 1 30 . 1 1 8 8 ALA C C 13 177.503 0.003 . 1 . . 300 . . 8 ALA C . 27699 1 31 . 1 1 8 8 ALA CA C 13 52.510 0.007 . 1 . . 537 . . 8 ALA CA . 27699 1 32 . 1 1 8 8 ALA CB C 13 19.725 0.017 . 1 . . 536 . . 8 ALA CB . 27699 1 33 . 1 1 8 8 ALA N N 15 125.850 0.032 . 1 . . 220 . . 8 ALA N . 27699 1 34 . 1 1 9 9 LEU H H 1 8.325 0.018 . 1 . . 37 . . 9 LEU H . 27699 1 35 . 1 1 9 9 LEU C C 13 175.764 . . 1 . . 238 . . 9 LEU C . 27699 1 36 . 1 1 9 9 LEU CA C 13 53.361 . . 1 . . 371 . . 9 LEU CA . 27699 1 37 . 1 1 9 9 LEU CB C 13 42.056 . . 1 . . 370 . . 9 LEU CB . 27699 1 38 . 1 1 9 9 LEU N N 15 123.512 0.017 . 1 . . 38 . . 9 LEU N . 27699 1 39 . 1 1 10 10 PRO C C 13 177.202 . . 1 . . 314 . . 10 PRO C . 27699 1 40 . 1 1 10 10 PRO CA C 13 63.503 . . 1 . . 416 . . 10 PRO CA . 27699 1 41 . 1 1 10 10 PRO CB C 13 32.281 . . 1 . . 417 . . 10 PRO CB . 27699 1 42 . 1 1 11 11 VAL H H 1 8.330 0.01 . 1 . . 85 . . 11 VAL H . 27699 1 43 . 1 1 11 11 VAL C C 13 176.787 0.006 . 1 . . 320 . . 11 VAL C . 27699 1 44 . 1 1 11 11 VAL CA C 13 62.724 0.008 . 1 . . 415 . . 11 VAL CA . 27699 1 45 . 1 1 11 11 VAL CB C 13 33.127 0.021 . 1 . . 443 . . 11 VAL CB . 27699 1 46 . 1 1 11 11 VAL N N 15 120.763 0.023 . 1 . . 86 . . 11 VAL N . 27699 1 47 . 1 1 12 12 THR H H 1 8.423 0.01 . 1 . . 115 . . 12 THR H . 27699 1 48 . 1 1 12 12 THR C C 13 174.984 0.0 . 1 . . 265 . . 12 THR C . 27699 1 49 . 1 1 12 12 THR CA C 13 61.826 0.006 . 1 . . 442 . . 12 THR CA . 27699 1 50 . 1 1 12 12 THR CB C 13 70.390 0.01 . 1 . . 489 . . 12 THR CB . 27699 1 51 . 1 1 12 12 THR N N 15 117.953 0.046 . 1 . . 116 . . 12 THR N . 27699 1 52 . 1 1 13 13 THR H H 1 8.283 0.008 . 1 . . 168 . . 13 THR H . 27699 1 53 . 1 1 13 13 THR C C 13 174.767 0.008 . 1 . . 278 . . 13 THR C . 27699 1 54 . 1 1 13 13 THR CA C 13 61.714 0.029 . 1 . . 513 . . 13 THR CA . 27699 1 55 . 1 1 13 13 THR CB C 13 70.677 0.009 . 1 . . 514 . . 13 THR CB . 27699 1 56 . 1 1 13 13 THR N N 15 116.121 0.022 . 1 . . 169 . . 13 THR N . 27699 1 57 . 1 1 14 14 ALA H H 1 8.517 0.009 . 1 . . 197 . . 14 ALA H . 27699 1 58 . 1 1 14 14 ALA C C 13 178.733 0.005 . 1 . . 301 . . 14 ALA C . 27699 1 59 . 1 1 14 14 ALA CA C 13 53.622 0.002 . 1 . . 512 . . 14 ALA CA . 27699 1 60 . 1 1 14 14 ALA CB C 13 19.358 0.019 . 1 . . 373 . . 14 ALA CB . 27699 1 61 . 1 1 14 14 ALA N N 15 126.431 0.053 . 1 . . 198 . . 14 ALA N . 27699 1 62 . 1 1 15 15 GLU H H 1 8.565 0.011 . 1 . . 39 . . 15 GLU H . 27699 1 63 . 1 1 15 15 GLU C C 13 177.866 0.005 . 1 . . 240 . . 15 GLU C . 27699 1 64 . 1 1 15 15 GLU CA C 13 57.785 0.02 . 1 . . 440 . . 15 GLU CA . 27699 1 65 . 1 1 15 15 GLU CB C 13 30.330 0.061 . 1 . . 372 . . 15 GLU CB . 27699 1 66 . 1 1 15 15 GLU N N 15 120.285 0.022 . 1 . . 40 . . 15 GLU N . 27699 1 67 . 1 1 16 16 GLY H H 1 8.436 0.009 . 1 . . 123 . . 16 GLY H . 27699 1 68 . 1 1 16 16 GLY C C 13 175.370 0.004 . 1 . . 264 . . 16 GLY C . 27699 1 69 . 1 1 16 16 GLY CA C 13 46.192 0.0 . 1 . . 439 . . 16 GLY CA . 27699 1 70 . 1 1 16 16 GLY N N 15 110.053 0.046 . 1 . . 124 . . 16 GLY N . 27699 1 71 . 1 1 17 17 MET H H 1 8.248 0.016 . 1 . . 105 . . 17 MET H . 27699 1 72 . 1 1 17 17 MET C C 13 176.937 0.004 . 1 . . 262 . . 17 MET C . 27699 1 73 . 1 1 17 17 MET CA C 13 56.407 0.004 . 1 . . 432 . . 17 MET CA . 27699 1 74 . 1 1 17 17 MET CB C 13 32.940 0.001 . 1 . . 433 . . 17 MET CB . 27699 1 75 . 1 1 17 17 MET N N 15 120.728 0.011 . 1 . . 106 . . 17 MET N . 27699 1 76 . 1 1 18 18 ALA H H 1 8.273 0.008 . 1 . . 93 . . 18 ALA H . 27699 1 77 . 1 1 18 18 ALA C C 13 178.661 0.005 . 1 . . 283 . . 18 ALA C . 27699 1 78 . 1 1 18 18 ALA CA C 13 53.701 0.001 . 1 . . 421 . . 18 ALA CA . 27699 1 79 . 1 1 18 18 ALA CB C 13 19.195 0.012 . 1 . . 424 . . 18 ALA CB . 27699 1 80 . 1 1 18 18 ALA N N 15 124.369 0.012 . 1 . . 94 . . 18 ALA N . 27699 1 81 . 1 1 19 19 LYS H H 1 8.109 0.019 . 1 . . 89 . . 19 LYS H . 27699 1 82 . 1 1 19 19 LYS C C 13 177.202 0.003 . 1 . . 258 . . 19 LYS C . 27699 1 83 . 1 1 19 19 LYS CA C 13 57.342 0.012 . 1 . . 419 . . 19 LYS CA . 27699 1 84 . 1 1 19 19 LYS CB C 13 33.200 0.005 . 1 . . 420 . . 19 LYS CB . 27699 1 85 . 1 1 19 19 LYS N N 15 119.899 0.031 . 1 . . 90 . . 19 LYS N . 27699 1 86 . 1 1 20 20 LYS H H 1 8.130 0.014 . 1 . . 158 . . 20 LYS H . 27699 1 87 . 1 1 20 20 LYS C C 13 177.348 0.006 . 1 . . 291 . . 20 LYS C . 27699 1 88 . 1 1 20 20 LYS CA C 13 57.445 0.016 . 1 . . 395 . . 20 LYS CA . 27699 1 89 . 1 1 20 20 LYS CB C 13 33.226 0.021 . 1 . . 396 . . 20 LYS CB . 27699 1 90 . 1 1 20 20 LYS N N 15 121.909 0.023 . 1 . . 159 . . 20 LYS N . 27699 1 91 . 1 1 21 21 VAL H H 1 8.211 0.01 . 1 . . 59 . . 21 VAL H . 27699 1 92 . 1 1 21 21 VAL C C 13 177.026 0.004 . 1 . . 230 . . 21 VAL C . 27699 1 93 . 1 1 21 21 VAL CA C 13 63.246 0.015 . 1 . . 453 . . 21 VAL CA . 27699 1 94 . 1 1 21 21 VAL CB C 13 32.999 0.035 . 1 . . 394 . . 21 VAL CB . 27699 1 95 . 1 1 21 21 VAL N N 15 121.150 0.035 . 1 . . 60 . . 21 VAL N . 27699 1 96 . 1 1 22 22 THR H H 1 8.284 0.008 . 1 . . 127 . . 22 THR H . 27699 1 97 . 1 1 22 22 THR C C 13 175.210 0.004 . 1 . . 269 . . 22 THR C . 27699 1 98 . 1 1 22 22 THR CA C 13 62.586 0.036 . 1 . . 452 . . 22 THR CA . 27699 1 99 . 1 1 22 22 THR CB C 13 70.202 0.001 . 1 . . 451 . . 22 THR CB . 27699 1 100 . 1 1 22 22 THR N N 15 117.932 0.018 . 1 . . 128 . . 22 THR N . 27699 1 101 . 1 1 23 23 LYS H H 1 8.307 0.006 . 1 . . 185 . . 23 LYS H . 27699 1 102 . 1 1 23 23 LYS C C 13 176.914 0.005 . 1 . . 239 . . 23 LYS C . 27699 1 103 . 1 1 23 23 LYS CA C 13 57.048 0.005 . 1 . . 504 . . 23 LYS CA . 27699 1 104 . 1 1 23 23 LYS CB C 13 33.189 0.004 . 1 . . 393 . . 23 LYS CB . 27699 1 105 . 1 1 23 23 LYS N N 15 123.943 0.015 . 1 . . 186 . . 23 LYS N . 27699 1 106 . 1 1 24 24 ALA H H 1 8.351 0.011 . 1 . . 57 . . 24 ALA H . 27699 1 107 . 1 1 24 24 ALA C C 13 178.690 0.007 . 1 . . 248 . . 24 ALA C . 27699 1 108 . 1 1 24 24 ALA CA C 13 53.213 0.002 . 1 . . 391 . . 24 ALA CA . 27699 1 109 . 1 1 24 24 ALA CB C 13 19.462 0.013 . 1 . . 392 . . 24 ALA CB . 27699 1 110 . 1 1 24 24 ALA N N 15 124.960 0.008 . 1 . . 58 . . 24 ALA N . 27699 1 111 . 1 1 25 25 GLY H H 1 8.373 0.008 . 1 . . 77 . . 25 GLY H . 27699 1 112 . 1 1 25 25 GLY C C 13 175.344 0.009 . 1 . . 255 . . 25 GLY C . 27699 1 113 . 1 1 25 25 GLY CA C 13 45.853 0.017 . 1 . . 407 . . 25 GLY CA . 27699 1 114 . 1 1 25 25 GLY N N 15 108.575 0.036 . 1 . . 78 . . 25 GLY N . 27699 1 115 . 1 1 26 26 GLY H H 1 8.321 0.006 . 1 . . 137 . . 26 GLY H . 27699 1 116 . 1 1 26 26 GLY C C 13 174.851 0.001 . 1 . . 272 . . 26 GLY C . 27699 1 117 . 1 1 26 26 GLY CA C 13 45.745 0.006 . 1 . . 487 . . 26 GLY CA . 27699 1 118 . 1 1 26 26 GLY N N 15 109.404 0.014 . 1 . . 138 . . 26 GLY N . 27699 1 119 . 1 1 27 27 SER H H 1 8.352 0.008 . 1 . . 162 . . 27 SER H . 27699 1 120 . 1 1 27 27 SER C C 13 174.954 0.06 . 1 . . 277 . . 27 SER C . 27699 1 121 . 1 1 27 27 SER CA C 13 58.828 0.007 . 1 . . 519 . . 27 SER CA . 27699 1 122 . 1 1 27 27 SER CB C 13 64.234 0.013 . 1 . . 520 . . 27 SER CB . 27699 1 123 . 1 1 27 27 SER N N 15 116.128 0.061 . 1 . . 163 . . 27 SER N . 27699 1 124 . 1 1 28 28 ALA H H 1 8.402 0.01 . 1 . . 205 . . 28 ALA H . 27699 1 125 . 1 1 28 28 ALA C C 13 177.851 0.0 . 1 . . 305 . . 28 ALA C . 27699 1 126 . 1 1 28 28 ALA CA C 13 53.184 0.002 . 1 . . 518 . . 28 ALA CA . 27699 1 127 . 1 1 28 28 ALA CB C 13 19.428 0.001 . 1 . . 399 . . 28 ALA CB . 27699 1 128 . 1 1 28 28 ALA N N 15 126.386 0.019 . 1 . . 206 . . 28 ALA N . 27699 1 129 . 1 1 29 29 ALA H H 1 8.165 0.009 . 1 . . 65 . . 29 ALA H . 27699 1 130 . 1 1 29 29 ALA C C 13 177.853 0.003 . 1 . . 293 . . 29 ALA C . 27699 1 131 . 1 1 29 29 ALA CA C 13 52.948 0.021 . 1 . . 369 . . 29 ALA CA . 27699 1 132 . 1 1 29 29 ALA CB C 13 19.495 0.015 . 1 . . 398 . . 29 ALA CB . 27699 1 133 . 1 1 29 29 ALA N N 15 122.760 0.017 . 1 . . 66 . . 29 ALA N . 27699 1 134 . 1 1 30 30 LEU H H 1 8.058 0.007 . 1 . . 49 . . 30 LEU H . 27699 1 135 . 1 1 30 30 LEU C C 13 177.129 0.003 . 1 . . 329 . . 30 LEU C . 27699 1 136 . 1 1 30 30 LEU CA C 13 55.164 0.003 . 1 . . 367 . . 30 LEU CA . 27699 1 137 . 1 1 30 30 LEU CB C 13 42.823 0.003 . 1 . . 368 . . 30 LEU CB . 27699 1 138 . 1 1 30 30 LEU N N 15 120.982 0.025 . 1 . . 50 . . 30 LEU N . 27699 1 139 . 1 1 31 31 SER H H 1 8.186 0.009 . 1 . . 145 . . 31 SER H . 27699 1 140 . 1 1 31 31 SER C C 13 173.166 . . 1 . . 274 . . 31 SER C . 27699 1 141 . 1 1 31 31 SER CA C 13 56.474 . . 1 . . 473 . . 31 SER CA . 27699 1 142 . 1 1 31 31 SER CB C 13 63.888 . . 1 . . 474 . . 31 SER CB . 27699 1 143 . 1 1 31 31 SER N N 15 117.585 0.014 . 1 . . 146 . . 31 SER N . 27699 1 144 . 1 1 36 36 ARG H H 1 8.248 0.009 . 1 . . 217 . . 36 ARG H . 27699 1 145 . 1 1 36 36 ARG C C 13 175.390 0.002 . 1 . . 292 . . 36 ARG C . 27699 1 146 . 1 1 36 36 ARG CA C 13 59.396 0.019 . 1 . . 349 . . 36 ARG CA . 27699 1 147 . 1 1 36 36 ARG CB C 13 64.011 0.037 . 1 . . 532 . . 36 ARG CB . 27699 1 148 . 1 1 36 36 ARG N N 15 114.929 0.013 . 1 . . 218 . . 36 ARG N . 27699 1 149 . 1 1 37 37 LYS H H 1 8.203 0.008 . 1 . . 13 . . 37 LYS H . 27699 1 150 . 1 1 37 37 LYS C C 13 177.626 0.012 . 1 . . 310 . . 37 LYS C . 27699 1 151 . 1 1 37 37 LYS CA C 13 58.056 0.079 . 1 . . 348 . . 37 LYS CA . 27699 1 152 . 1 1 37 37 LYS CB C 13 32.949 0.006 . 1 . . 347 . . 37 LYS CB . 27699 1 153 . 1 1 37 37 LYS N N 15 123.656 0.027 . 1 . . 14 . . 37 LYS N . 27699 1 154 . 1 1 38 38 ASN H H 1 8.431 0.102 . 1 . . 131 . . 38 ASN H . 27699 1 155 . 1 1 38 38 ASN C C 13 176.565 0.676 . 1 . . 595 . . 38 ASN C . 27699 1 156 . 1 1 38 38 ASN CA C 13 54.213 0.001 . 1 . . 401 . . 38 ASN CA . 27699 1 157 . 1 1 38 38 ASN CB C 13 36.037 4.496 . 1 . . 458 . . 38 ASN CB . 27699 1 158 . 1 1 38 38 ASN N N 15 118.722 0.198 . 1 . . 132 . . 38 ASN N . 27699 1 159 . 1 1 39 39 SER H H 1 8.231 0.009 . 1 . . 156 . . 39 SER H . 27699 1 160 . 1 1 39 39 SER C C 13 175.259 0.0 . 1 . . 275 . . 39 SER C . 27699 1 161 . 1 1 39 39 SER CA C 13 59.613 0.032 . 1 . . 482 . . 39 SER CA . 27699 1 162 . 1 1 39 39 SER CB C 13 64.078 0.009 . 1 . . 483 . . 39 SER CB . 27699 1 163 . 1 1 39 39 SER N N 15 116.393 0.013 . 1 . . 157 . . 39 SER N . 27699 1 164 . 1 1 40 40 LYS H H 1 8.211 0.009 . 1 . . 51 . . 40 LYS H . 27699 1 165 . 1 1 40 40 LYS C C 13 177.415 0.003 . 1 . . 245 . . 40 LYS C . 27699 1 166 . 1 1 40 40 LYS CA C 13 57.395 0.029 . 1 . . 386 . . 40 LYS CA . 27699 1 167 . 1 1 40 40 LYS CB C 13 32.978 0.012 . 1 . . 503 . . 40 LYS CB . 27699 1 168 . 1 1 40 40 LYS N N 15 122.898 0.035 . 1 . . 52 . . 40 LYS N . 27699 1 169 . 1 1 41 41 LYS H H 1 8.119 0.013 . 1 . . 221 . . 41 LYS H . 27699 1 170 . 1 1 41 41 LYS C C 13 177.287 0.007 . 1 . . 299 . . 41 LYS C . 27699 1 171 . 1 1 41 41 LYS CA C 13 52.927 . . 1 . . 562 . . 41 LYS CA . 27699 1 172 . 1 1 41 41 LYS CB C 13 33.016 0.036 . 1 . . 561 . . 41 LYS CB . 27699 1 173 . 1 1 41 41 LYS N N 15 121.257 0.05 . 1 . . 222 . . 41 LYS N . 27699 1 174 . 1 1 42 42 LYS H H 1 8.071 0.014 . 1 . . 35 . . 42 LYS H . 27699 1 175 . 1 1 42 42 LYS C C 13 176.640 0.001 . 1 . . 233 . . 42 LYS C . 27699 1 176 . 1 1 42 42 LYS CA C 13 57.116 0.006 . 1 . . 377 . . 42 LYS CA . 27699 1 177 . 1 1 42 42 LYS CB C 13 33.195 . . 1 . . 563 . . 42 LYS CB . 27699 1 178 . 1 1 42 42 LYS N N 15 120.997 0.018 . 1 . . 36 . . 42 LYS N . 27699 1 179 . 1 1 43 43 ASN H H 1 8.240 0.01 . 1 . . 41 . . 43 ASN H . 27699 1 180 . 1 1 43 43 ASN C C 13 174.683 0.003 . 1 . . 242 . . 43 ASN C . 27699 1 181 . 1 1 43 43 ASN CA C 13 53.413 0.001 . 1 . . 375 . . 43 ASN CA . 27699 1 182 . 1 1 43 43 ASN CB C 13 39.206 0.008 . 1 . . 374 . . 43 ASN CB . 27699 1 183 . 1 1 43 43 ASN N N 15 118.690 0.058 . 1 . . 42 . . 43 ASN N . 27699 1 184 . 1 1 44 44 GLN H H 1 8.174 0.01 . 1 . . 95 . . 44 GLN H . 27699 1 185 . 1 1 44 44 GLN C C 13 174.027 . . 1 . . 231 . . 44 GLN C . 27699 1 186 . 1 1 44 44 GLN CA C 13 55.088 . . 1 . . 426 . . 44 GLN CA . 27699 1 187 . 1 1 44 44 GLN CB C 13 29.301 . . 1 . . 425 . . 44 GLN CB . 27699 1 188 . 1 1 44 44 GLN N N 15 120.948 0.11 . 1 . . 96 . . 44 GLN N . 27699 1 189 . 1 1 45 45 PRO C C 13 178.694 . . 1 . . 289 . . 45 PRO C . 27699 1 190 . 1 1 46 46 GLY H H 1 8.159 0.007 . 1 . . 223 . . 46 GLY H . 27699 1 191 . 1 1 46 46 GLY CA C 13 46.294 0.092 . 1 . . 476 . . 46 GLY CA . 27699 1 192 . 1 1 46 46 GLY N N 15 108.739 0.008 . 1 . . 224 . . 46 GLY N . 27699 1 193 . 1 1 47 47 LYS H H 1 8.072 0.007 . 1 . . 147 . . 47 LYS H . 27699 1 194 . 1 1 47 47 LYS C C 13 179.367 0.002 . 1 . . 307 . . 47 LYS C . 27699 1 195 . 1 1 47 47 LYS CA C 13 59.059 0.029 . 1 . . 477 . . 47 LYS CA . 27699 1 196 . 1 1 47 47 LYS CB C 13 32.283 . . 1 . . 475 . . 47 LYS CB . 27699 1 197 . 1 1 47 47 LYS N N 15 122.028 0.024 . 1 . . 148 . . 47 LYS N . 27699 1 198 . 1 1 50 50 GLN H H 1 8.003 0.006 . 1 . . 180 . . 50 GLN H . 27699 1 199 . 1 1 50 50 GLN C C 13 177.992 0.008 . 1 . . 282 . . 50 GLN C . 27699 1 200 . 1 1 50 50 GLN CA C 13 59.301 0.028 . 1 . . 573 . . 50 GLN CA . 27699 1 201 . 1 1 50 50 GLN CB C 13 28.659 0.025 . 1 . . 572 . . 50 GLN CB . 27699 1 202 . 1 1 50 50 GLN N N 15 121.588 0.014 . 1 . . 181 . . 50 GLN N . 27699 1 203 . 1 1 51 51 LEU H H 1 8.077 0.018 . 1 . . 15 . . 51 LEU H . 27699 1 204 . 1 1 51 51 LEU C C 13 180.803 0.017 . 1 . . 340 . . 51 LEU C . 27699 1 205 . 1 1 51 51 LEU CA C 13 58.037 0.01 . 1 . . 565 . . 51 LEU CA . 27699 1 206 . 1 1 51 51 LEU CB C 13 42.137 0.004 . 1 . . 564 . . 51 LEU CB . 27699 1 207 . 1 1 51 51 LEU N N 15 120.756 0.184 . 1 . . 16 . . 51 LEU N . 27699 1 208 . 1 1 52 52 VAL H H 1 8.638 0.008 . 1 . . 1 . . 52 VAL H . 27699 1 209 . 1 1 52 52 VAL C C 13 177.135 0.004 . 1 . . 326 . . 52 VAL C . 27699 1 210 . 1 1 52 52 VAL CA C 13 68.863 0.039 . 1 . . 342 . . 52 VAL CA . 27699 1 211 . 1 1 52 52 VAL CB C 13 31.820 0.032 . 1 . . 467 . . 52 VAL CB . 27699 1 212 . 1 1 52 52 VAL N N 15 123.823 0.032 . 1 . . 2 . . 52 VAL N . 27699 1 213 . 1 1 53 53 VAL H H 1 8.013 0.009 . 1 . . 135 . . 53 VAL H . 27699 1 214 . 1 1 53 53 VAL C C 13 178.056 . . 1 . . 328 . . 53 VAL C . 27699 1 215 . 1 1 53 53 VAL CA C 13 68.380 0.01 . 1 . . 466 . . 53 VAL CA . 27699 1 216 . 1 1 53 53 VAL CB C 13 32.357 . . 1 . . 465 . . 53 VAL CB . 27699 1 217 . 1 1 53 53 VAL N N 15 119.562 0.009 . 1 . . 136 . . 53 VAL N . 27699 1 218 . 1 1 54 54 GLU H H 1 9.010 0.017 . 1 . . 141 . . 54 GLU H . 27699 1 219 . 1 1 54 54 GLU C C 13 179.945 0.0 . 1 . . 273 . . 54 GLU C . 27699 1 220 . 1 1 54 54 GLU CA C 13 59.103 0.022 . 1 . . 481 . . 54 GLU CA . 27699 1 221 . 1 1 54 54 GLU CB C 13 29.565 0.055 . 1 . . 470 . . 54 GLU CB . 27699 1 222 . 1 1 54 54 GLU N N 15 117.894 0.022 . 1 . . 142 . . 54 GLU N . 27699 1 223 . 1 1 55 55 THR H H 1 8.620 0.012 . 1 . . 152 . . 55 THR H . 27699 1 224 . 1 1 55 55 THR N N 15 117.577 0.024 . 1 . . 153 . . 55 THR N . 27699 1 225 . 1 1 56 56 ILE H H 1 8.666 0.009 . 1 . . 97 . . 56 ILE H . 27699 1 226 . 1 1 56 56 ILE CA C 13 67.425 0.056 . 1 . . 428 . . 56 ILE CA . 27699 1 227 . 1 1 56 56 ILE CB C 13 38.652 0.022 . 1 . . 427 . . 56 ILE CB . 27699 1 228 . 1 1 56 56 ILE N N 15 122.329 0.072 . 1 . . 98 . . 56 ILE N . 27699 1 229 . 1 1 57 57 ARG H H 1 8.805 0.009 . 1 . . 193 . . 57 ARG H . 27699 1 230 . 1 1 57 57 ARG C C 13 178.890 . . 1 . . 587 . . 57 ARG C . 27699 1 231 . 1 1 57 57 ARG CA C 13 59.878 . . 1 . . 508 . . 57 ARG CA . 27699 1 232 . 1 1 57 57 ARG CB C 13 30.847 . . 1 . . 507 . . 57 ARG CB . 27699 1 233 . 1 1 57 57 ARG N N 15 121.471 0.027 . 1 . . 194 . . 57 ARG N . 27699 1 234 . 1 1 59 59 LEU H H 1 8.488 0.009 . 1 . . 79 . . 59 LEU H . 27699 1 235 . 1 1 59 59 LEU C C 13 179.985 0.007 . 1 . . 252 . . 59 LEU C . 27699 1 236 . 1 1 59 59 LEU CA C 13 57.615 0.024 . 1 . . 408 . . 59 LEU CA . 27699 1 237 . 1 1 59 59 LEU CB C 13 42.556 0.043 . 1 . . 409 . . 59 LEU CB . 27699 1 238 . 1 1 59 59 LEU N N 15 119.942 0.018 . 1 . . 80 . . 59 LEU N . 27699 1 239 . 1 1 60 60 GLY H H 1 7.969 0.01 . 1 . . 143 . . 60 GLY H . 27699 1 240 . 1 1 60 60 GLY C C 13 175.555 0.001 . 1 . . 322 . . 60 GLY C . 27699 1 241 . 1 1 60 60 GLY CA C 13 48.057 0.038 . 1 . . 472 . . 60 GLY CA . 27699 1 242 . 1 1 60 60 GLY N N 15 106.433 0.017 . 1 . . 144 . . 60 GLY N . 27699 1 243 . 1 1 61 61 GLU H H 1 8.921 0.008 . 1 . . 121 . . 61 GLU H . 27699 1 244 . 1 1 61 61 GLU C C 13 179.101 0.021 . 1 . . 268 . . 61 GLU C . 27699 1 245 . 1 1 61 61 GLU CA C 13 57.555 0.018 . 1 . . 450 . . 61 GLU CA . 27699 1 246 . 1 1 61 61 GLU CB C 13 30.625 0.007 . 1 . . 449 . . 61 GLU CB . 27699 1 247 . 1 1 61 61 GLU N N 15 119.613 0.022 . 1 . . 122 . . 61 GLU N . 27699 1 248 . 1 1 62 62 ARG H H 1 9.117 0.006 . 1 . . 176 . . 62 ARG H . 27699 1 249 . 1 1 62 62 ARG C C 13 177.292 0.003 . 1 . . 281 . . 62 ARG C . 27699 1 250 . 1 1 62 62 ARG CA C 13 59.497 0.018 . 1 . . 497 . . 62 ARG CA . 27699 1 251 . 1 1 62 62 ARG CB C 13 30.262 0.052 . 1 . . 517 . . 62 ARG CB . 27699 1 252 . 1 1 62 62 ARG N N 15 127.915 0.018 . 1 . . 177 . . 62 ARG N . 27699 1 253 . 1 1 63 63 ASN H H 1 8.665 0.012 . 1 . . 203 . . 63 ASN H . 27699 1 254 . 1 1 63 63 ASN C C 13 175.243 0.007 . 1 . . 286 . . 63 ASN C . 27699 1 255 . 1 1 63 63 ASN CA C 13 52.402 0.021 . 1 . . 499 . . 63 ASN CA . 27699 1 256 . 1 1 63 63 ASN CB C 13 38.663 0.001 . 1 . . 516 . . 63 ASN CB . 27699 1 257 . 1 1 63 63 ASN N N 15 115.355 0.065 . 1 . . 204 . . 63 ASN N . 27699 1 258 . 1 1 64 64 GLY H H 1 7.510 0.012 . 1 . . 178 . . 64 GLY H . 27699 1 259 . 1 1 64 64 GLY C C 13 172.342 . . 1 . . 327 . . 64 GLY C . 27699 1 260 . 1 1 64 64 GLY CA C 13 45.149 0.008 . 1 . . 498 . . 64 GLY CA . 27699 1 261 . 1 1 64 64 GLY N N 15 105.278 0.053 . 1 . . 179 . . 64 GLY N . 27699 1 262 . 1 1 65 65 SER H H 1 9.046 0.008 . 1 . . 139 . . 65 SER H . 27699 1 263 . 1 1 65 65 SER C C 13 173.872 . . 1 . . 333 . . 65 SER C . 27699 1 264 . 1 1 65 65 SER CA C 13 57.832 0.001 . 1 . . 468 . . 65 SER CA . 27699 1 265 . 1 1 65 65 SER CB C 13 66.863 0.021 . 1 . . 469 . . 65 SER CB . 27699 1 266 . 1 1 65 65 SER N N 15 114.289 0.028 . 1 . . 140 . . 65 SER N . 27699 1 267 . 1 1 66 66 SER H H 1 8.903 0.01 . 1 . . 164 . . 66 SER H . 27699 1 268 . 1 1 66 66 SER CA C 13 56.999 0.008 . 1 . . 435 . . 66 SER CA . 27699 1 269 . 1 1 66 66 SER CB C 13 66.035 0.025 . 1 . . 488 . . 66 SER CB . 27699 1 270 . 1 1 66 66 SER N N 15 121.708 0.01 . 1 . . 165 . . 66 SER N . 27699 1 271 . 1 1 67 67 LEU H H 1 9.498 0.008 . 1 . . 107 . . 67 LEU H . 27699 1 272 . 1 1 67 67 LEU CA C 13 59.331 0.074 . 1 . . 434 . . 67 LEU CA . 27699 1 273 . 1 1 67 67 LEU CB C 13 41.003 0.035 . 1 . . 583 . . 67 LEU CB . 27699 1 274 . 1 1 67 67 LEU N N 15 122.225 0.023 . 1 . . 108 . . 67 LEU N . 27699 1 275 . 1 1 68 68 ALA H H 1 8.541 0.016 . 1 . . 69 . . 68 ALA H . 27699 1 276 . 1 1 68 68 ALA C C 13 180.709 0.008 . 1 . . 597 . . 68 ALA C . 27699 1 277 . 1 1 68 68 ALA CA C 13 56.043 0.021 . 1 . . 598 . . 68 ALA CA . 27699 1 278 . 1 1 68 68 ALA CB C 13 18.709 0.041 . 1 . . 592 . . 68 ALA CB . 27699 1 279 . 1 1 68 68 ALA N N 15 120.107 0.132 . 1 . . 70 . . 68 ALA N . 27699 1 280 . 1 1 69 69 LYS H H 1 8.113 0.007 . 1 . . 199 . . 69 LYS H . 27699 1 281 . 1 1 69 69 LYS C C 13 179.401 0.0 . 1 . . 285 . . 69 LYS C . 27699 1 282 . 1 1 69 69 LYS CA C 13 58.926 0.043 . 1 . . 456 . . 69 LYS CA . 27699 1 283 . 1 1 69 69 LYS CB C 13 32.925 . . 1 . . 457 . . 69 LYS CB . 27699 1 284 . 1 1 69 69 LYS N N 15 121.319 0.08 . 1 . . 200 . . 69 LYS N . 27699 1 285 . 1 1 70 70 ILE H H 1 8.831 0.009 . 1 . . 129 . . 70 ILE H . 27699 1 286 . 1 1 70 70 ILE C C 13 177.836 0.009 . 1 . . 294 . . 70 ILE C . 27699 1 287 . 1 1 70 70 ILE CA C 13 65.789 0.041 . 1 . . 454 . . 70 ILE CA . 27699 1 288 . 1 1 70 70 ILE CB C 13 39.041 0.052 . 1 . . 455 . . 70 ILE CB . 27699 1 289 . 1 1 70 70 ILE N N 15 120.682 0.018 . 1 . . 130 . . 70 ILE N . 27699 1 290 . 1 1 71 71 TYR H H 1 9.683 0.007 . 1 . . 17 . . 71 TYR H . 27699 1 291 . 1 1 71 71 TYR C C 13 175.910 0.03 . 1 . . 234 . . 71 TYR C . 27699 1 292 . 1 1 71 71 TYR CA C 13 61.372 0.017 . 1 . . 539 . . 71 TYR CA . 27699 1 293 . 1 1 71 71 TYR CB C 13 38.447 0.006 . 1 . . 350 . . 71 TYR CB . 27699 1 294 . 1 1 71 71 TYR N N 15 120.616 0.016 . 1 . . 18 . . 71 TYR N . 27699 1 295 . 1 1 72 72 THR H H 1 8.221 0.01 . 1 . . 19 . . 72 THR H . 27699 1 296 . 1 1 72 72 THR C C 13 175.628 . . 1 . . 332 . . 72 THR C . 27699 1 297 . 1 1 72 72 THR CA C 13 67.406 0.001 . 1 . . 485 . . 72 THR CA . 27699 1 298 . 1 1 72 72 THR CB C 13 69.227 0.001 . 1 . . 486 . . 72 THR CB . 27699 1 299 . 1 1 72 72 THR N N 15 113.911 0.014 . 1 . . 20 . . 72 THR N . 27699 1 300 . 1 1 73 73 GLU H H 1 7.591 0.013 . 1 . . 160 . . 73 GLU H . 27699 1 301 . 1 1 73 73 GLU C C 13 179.001 0.003 . 1 . . 276 . . 73 GLU C . 27699 1 302 . 1 1 73 73 GLU CA C 13 57.575 0.043 . 1 . . 484 . . 73 GLU CA . 27699 1 303 . 1 1 73 73 GLU CB C 13 30.464 0.01 . 1 . . 352 . . 73 GLU CB . 27699 1 304 . 1 1 73 73 GLU N N 15 118.286 0.025 . 1 . . 161 . . 73 GLU N . 27699 1 305 . 1 1 74 74 ALA H H 1 9.308 0.007 . 1 . . 21 . . 74 ALA H . 27699 1 306 . 1 1 74 74 ALA C C 13 177.627 0.006 . 1 . . 315 . . 74 ALA C . 27699 1 307 . 1 1 74 74 ALA CA C 13 55.072 0.021 . 1 . . 351 . . 74 ALA CA . 27699 1 308 . 1 1 74 74 ALA CB C 13 18.875 . . 1 . . 538 . . 74 ALA CB . 27699 1 309 . 1 1 74 74 ALA N N 15 125.495 0.013 . 1 . . 22 . . 74 ALA N . 27699 1 310 . 1 1 75 75 LYS H H 1 7.594 0.009 . 1 . . 91 . . 75 LYS H . 27699 1 311 . 1 1 75 75 LYS C C 13 176.256 0.076 . 1 . . 259 . . 75 LYS C . 27699 1 312 . 1 1 75 75 LYS CA C 13 57.077 0.068 . 1 . . 422 . . 75 LYS CA . 27699 1 313 . 1 1 75 75 LYS CB C 13 31.134 0.009 . 1 . . 390 . . 75 LYS CB . 27699 1 314 . 1 1 75 75 LYS N N 15 111.705 0.06 . 1 . . 92 . . 75 LYS N . 27699 1 315 . 1 1 76 76 LYS H H 1 7.045 0.011 . 1 . . 55 . . 76 LYS H . 27699 1 316 . 1 1 76 76 LYS C C 13 177.971 0.015 . 1 . . 247 . . 76 LYS C . 27699 1 317 . 1 1 76 76 LYS CA C 13 57.169 0.004 . 1 . . 446 . . 76 LYS CA . 27699 1 318 . 1 1 76 76 LYS CB C 13 33.516 0.052 . 1 . . 389 . . 76 LYS CB . 27699 1 319 . 1 1 76 76 LYS N N 15 117.942 0.017 . 1 . . 56 . . 76 LYS N . 27699 1 320 . 1 1 77 77 VAL H H 1 7.663 0.015 . 1 . . 117 . . 77 VAL H . 27699 1 321 . 1 1 77 77 VAL C C 13 177.727 . . 1 . . 266 . . 77 VAL C . 27699 1 322 . 1 1 77 77 VAL CA C 13 60.820 . . 1 . . 445 . . 77 VAL CA . 27699 1 323 . 1 1 77 77 VAL CB C 13 31.524 . . 1 . . 444 . . 77 VAL CB . 27699 1 324 . 1 1 77 77 VAL N N 15 120.699 0.014 . 1 . . 118 . . 77 VAL N . 27699 1 325 . 1 1 80 80 PHE H H 1 7.477 0.011 . 1 . . 45 . . 80 PHE H . 27699 1 326 . 1 1 80 80 PHE C C 13 175.478 0.005 . 1 . . 577 . . 80 PHE C . 27699 1 327 . 1 1 80 80 PHE CA C 13 60.721 0.012 . 1 . . 381 . . 80 PHE CA . 27699 1 328 . 1 1 80 80 PHE CB C 13 40.284 0.0 . 1 . . 382 . . 80 PHE CB . 27699 1 329 . 1 1 80 80 PHE N N 15 125.247 0.04 . 1 . . 46 . . 80 PHE N . 27699 1 330 . 1 1 81 81 ASP H H 1 7.408 0.009 . 1 . . 166 . . 81 ASP H . 27699 1 331 . 1 1 81 81 ASP C C 13 175.902 0.02 . 1 . . 584 . . 81 ASP C . 27699 1 332 . 1 1 81 81 ASP CA C 13 53.712 0.01 . 1 . . 605 . . 81 ASP CA . 27699 1 333 . 1 1 81 81 ASP CB C 13 41.537 0.0 . 1 . . 604 . . 81 ASP CB . 27699 1 334 . 1 1 81 81 ASP N N 15 128.158 0.009 . 1 . . 167 . . 81 ASP N . 27699 1 335 . 1 1 82 82 GLN H H 1 9.079 0.016 . 1 . . 213 . . 82 GLN H . 27699 1 336 . 1 1 82 82 GLN N N 15 126.034 0.011 . 1 . . 214 . . 82 GLN N . 27699 1 337 . 1 1 83 83 GLN H H 1 8.276 0.007 . 1 . . 191 . . 83 GLN H . 27699 1 338 . 1 1 83 83 GLN N N 15 117.902 0.045 . 1 . . 192 . . 83 GLN N . 27699 1 339 . 1 1 85 85 GLY H H 1 8.355 0.01 . 1 . . 101 . . 85 GLY H . 27699 1 340 . 1 1 85 85 GLY CA C 13 48.576 0.007 . 1 . . 582 . . 85 GLY CA . 27699 1 341 . 1 1 85 85 GLY N N 15 110.224 0.025 . 1 . . 102 . . 85 GLY N . 27699 1 342 . 1 1 86 86 ARG H H 1 9.058 0.007 . 1 . . 559 . . 86 ARG H . 27699 1 343 . 1 1 86 86 ARG C C 13 177.982 0.003 . 1 . . 594 . . 86 ARG C . 27699 1 344 . 1 1 86 86 ARG CA C 13 61.315 0.015 . 1 . . 478 . . 86 ARG CA . 27699 1 345 . 1 1 86 86 ARG CB C 13 29.952 0.015 . 1 . . 506 . . 86 ARG CB . 27699 1 346 . 1 1 86 86 ARG N N 15 122.035 0.059 . 1 . . 560 . . 86 ARG N . 27699 1 347 . 1 1 87 87 THR CA C 13 66.487 0.023 . 1 . . 531 . . 87 THR CA . 27699 1 348 . 1 1 87 87 THR CB C 13 68.597 0.093 . 1 . . 505 . . 87 THR CB . 27699 1 349 . 1 1 88 88 TYR H H 1 7.521 0.011 . 1 . . 215 . . 88 TYR H . 27699 1 350 . 1 1 88 88 TYR CA C 13 58.123 0.008 . 1 . . 529 . . 88 TYR CA . 27699 1 351 . 1 1 88 88 TYR CB C 13 35.513 0.033 . 1 . . 530 . . 88 TYR CB . 27699 1 352 . 1 1 88 88 TYR N N 15 121.278 0.018 . 1 . . 216 . . 88 TYR N . 27699 1 353 . 1 1 89 89 LEU H H 1 9.003 0.01 . 1 . . 172 . . 89 LEU H . 27699 1 354 . 1 1 89 89 LEU CA C 13 58.641 . . 1 . . 494 . . 89 LEU CA . 27699 1 355 . 1 1 89 89 LEU CB C 13 42.693 . . 1 . . 493 . . 89 LEU CB . 27699 1 356 . 1 1 89 89 LEU N N 15 121.622 0.013 . 1 . . 173 . . 89 LEU N . 27699 1 357 . 1 1 91 91 TYR H H 1 8.561 0.007 . 1 . . 225 . . 91 TYR H . 27699 1 358 . 1 1 91 91 TYR C C 13 176.963 0.001 . 1 . . 241 . . 91 TYR C . 27699 1 359 . 1 1 91 91 TYR CA C 13 63.079 0.01 . 1 . . 591 . . 91 TYR CA . 27699 1 360 . 1 1 91 91 TYR CB C 13 32.819 0.026 . 1 . . 607 . . 91 TYR CB . 27699 1 361 . 1 1 91 91 TYR N N 15 120.288 0.024 . 1 . . 226 . . 91 TYR N . 27699 1 362 . 1 1 92 92 SER H H 1 8.563 0.021 . 1 . . 211 . . 92 SER H . 27699 1 363 . 1 1 92 92 SER C C 13 174.814 . . 1 . . 271 . . 92 SER C . 27699 1 364 . 1 1 92 92 SER CA C 13 61.683 . . 1 . . 527 . . 92 SER CA . 27699 1 365 . 1 1 92 92 SER CB C 13 70.434 . . 1 . . 528 . . 92 SER CB . 27699 1 366 . 1 1 92 92 SER N N 15 118.868 0.049 . 1 . . 212 . . 92 SER N . 27699 1 367 . 1 1 93 93 ILE H H 1 8.871 0.005 . 1 . . 27 . . 93 ILE H . 27699 1 368 . 1 1 93 93 ILE C C 13 177.208 0.019 . 1 . . 235 . . 93 ILE C . 27699 1 369 . 1 1 93 93 ILE CA C 13 66.767 0.007 . 1 . . 359 . . 93 ILE CA . 27699 1 370 . 1 1 93 93 ILE CB C 13 38.053 0.09 . 1 . . 358 . . 93 ILE CB . 27699 1 371 . 1 1 93 93 ILE N N 15 123.525 0.019 . 1 . . 28 . . 93 ILE N . 27699 1 372 . 1 1 94 94 LYS H H 1 7.996 0.011 . 1 . . 201 . . 94 LYS H . 27699 1 373 . 1 1 94 94 LYS C C 13 179.880 0.007 . 1 . . 311 . . 94 LYS C . 27699 1 374 . 1 1 94 94 LYS CA C 13 60.234 0.0 . 1 . . 515 . . 94 LYS CA . 27699 1 375 . 1 1 94 94 LYS CB C 13 32.329 0.006 . 1 . . 406 . . 94 LYS CB . 27699 1 376 . 1 1 94 94 LYS N N 15 118.247 0.028 . 1 . . 202 . . 94 LYS N . 27699 1 377 . 1 1 95 95 ALA H H 1 7.990 0.01 . 1 . . 75 . . 95 ALA H . 27699 1 378 . 1 1 95 95 ALA C C 13 180.755 0.001 . 1 . . 254 . . 95 ALA C . 27699 1 379 . 1 1 95 95 ALA CA C 13 55.569 0.047 . 1 . . 405 . . 95 ALA CA . 27699 1 380 . 1 1 95 95 ALA CB C 13 18.421 0.006 . 1 . . 404 . . 95 ALA CB . 27699 1 381 . 1 1 95 95 ALA N N 15 122.660 0.013 . 1 . . 76 . . 95 ALA N . 27699 1 382 . 1 1 96 96 LEU H H 1 8.671 0.021 . 1 . . 73 . . 96 LEU H . 27699 1 383 . 1 1 96 96 LEU C C 13 180.663 0.015 . 1 . . 331 . . 96 LEU C . 27699 1 384 . 1 1 96 96 LEU CA C 13 56.813 0.039 . 1 . . 402 . . 96 LEU CA . 27699 1 385 . 1 1 96 96 LEU CB C 13 43.025 0.07 . 1 . . 403 . . 96 LEU CB . 27699 1 386 . 1 1 96 96 LEU N N 15 120.895 0.071 . 1 . . 74 . . 96 LEU N . 27699 1 387 . 1 1 97 97 VAL H H 1 8.944 0.009 . 1 . . 150 . . 97 VAL H . 27699 1 388 . 1 1 97 97 VAL C C 13 181.538 . . 1 . . 341 . . 97 VAL C . 27699 1 389 . 1 1 97 97 VAL CA C 13 65.736 . . 1 . . 480 . . 97 VAL CA . 27699 1 390 . 1 1 97 97 VAL CB C 13 32.466 . . 1 . . 479 . . 97 VAL CB . 27699 1 391 . 1 1 97 97 VAL N N 15 123.921 0.009 . 1 . . 151 . . 97 VAL N . 27699 1 392 . 1 1 98 98 GLN C C 13 177.630 . . 1 . . 270 . . 98 GLN C . 27699 1 393 . 1 1 98 98 GLN CA C 13 59.171 . . 1 . . 525 . . 98 GLN CA . 27699 1 394 . 1 1 98 98 GLN CB C 13 28.505 . . 1 . . 526 . . 98 GLN CB . 27699 1 395 . 1 1 99 99 ASN H H 1 8.085 0.01 . 1 . . 209 . . 99 ASN H . 27699 1 396 . 1 1 99 99 ASN C C 13 175.520 0.013 . 1 . . 303 . . 99 ASN C . 27699 1 397 . 1 1 99 99 ASN CA C 13 52.274 0.016 . 1 . . 524 . . 99 ASN CA . 27699 1 398 . 1 1 99 99 ASN CB C 13 38.344 0.032 . 1 . . 380 . . 99 ASN CB . 27699 1 399 . 1 1 99 99 ASN N N 15 115.167 0.028 . 1 . . 210 . . 99 ASN N . 27699 1 400 . 1 1 100 100 ASP H H 1 8.107 0.012 . 1 . . 43 . . 100 ASP H . 27699 1 401 . 1 1 100 100 ASP C C 13 176.005 0.001 . 1 . . 243 . . 100 ASP C . 27699 1 402 . 1 1 100 100 ASP CA C 13 56.696 0.001 . 1 . . 378 . . 100 ASP CA . 27699 1 403 . 1 1 100 100 ASP CB C 13 39.715 0.006 . 1 . . 379 . . 100 ASP CB . 27699 1 404 . 1 1 100 100 ASP N N 15 113.706 0.033 . 1 . . 44 . . 100 ASP N . 27699 1 405 . 1 1 101 101 THR H H 1 9.154 0.014 . 1 . . 99 . . 101 THR H . 27699 1 406 . 1 1 101 101 THR C C 13 175.655 0.002 . 1 . . 306 . . 101 THR C . 27699 1 407 . 1 1 101 101 THR CA C 13 67.133 0.029 . 1 . . 429 . . 101 THR CA . 27699 1 408 . 1 1 101 101 THR CB C 13 68.941 0.027 . 1 . . 388 . . 101 THR CB . 27699 1 409 . 1 1 101 101 THR N N 15 119.795 0.063 . 1 . . 100 . . 101 THR N . 27699 1 410 . 1 1 102 102 LEU H H 1 7.909 0.009 . 1 . . 53 . . 102 LEU H . 27699 1 411 . 1 1 102 102 LEU C C 13 175.409 0.023 . 1 . . 246 . . 102 LEU C . 27699 1 412 . 1 1 102 102 LEU CA C 13 52.271 0.058 . 1 . . 437 . . 102 LEU CA . 27699 1 413 . 1 1 102 102 LEU CB C 13 46.199 0.027 . 1 . . 387 . . 102 LEU CB . 27699 1 414 . 1 1 102 102 LEU N N 15 120.048 0.017 . 1 . . 54 . . 102 LEU N . 27699 1 415 . 1 1 103 103 LEU H H 1 9.464 0.01 . 1 . . 109 . . 103 LEU H . 27699 1 416 . 1 1 103 103 LEU C C 13 176.059 . . 1 . . 313 . . 103 LEU C . 27699 1 417 . 1 1 103 103 LEU CA C 13 53.663 0.003 . 1 . . 436 . . 103 LEU CA . 27699 1 418 . 1 1 103 103 LEU CB C 13 44.770 0.037 . 1 . . 414 . . 103 LEU CB . 27699 1 419 . 1 1 103 103 LEU N N 15 119.787 0.025 . 1 . . 110 . . 103 LEU N . 27699 1 420 . 1 1 104 104 GLN H H 1 9.107 0.009 . 1 . . 83 . . 104 GLN H . 27699 1 421 . 1 1 104 104 GLN C C 13 175.507 0.001 . 1 . . 257 . . 104 GLN C . 27699 1 422 . 1 1 104 104 GLN CA C 13 55.546 0.041 . 1 . . 413 . . 104 GLN CA . 27699 1 423 . 1 1 104 104 GLN CB C 13 29.428 0.024 . 1 . . 412 . . 104 GLN CB . 27699 1 424 . 1 1 104 104 GLN N N 15 124.438 0.03 . 1 . . 84 . . 104 GLN N . 27699 1 425 . 1 1 105 105 VAL H H 1 8.745 0.01 . 1 . . 182 . . 105 VAL H . 27699 1 426 . 1 1 105 105 VAL C C 13 176.193 . . 1 . . 542 . . 105 VAL C . 27699 1 427 . 1 1 105 105 VAL CA C 13 62.477 . . 1 . . 500 . . 105 VAL CA . 27699 1 428 . 1 1 105 105 VAL CB C 13 32.933 . . 1 . . 501 . . 105 VAL CB . 27699 1 429 . 1 1 105 105 VAL N N 15 127.512 0.037 . 1 . . 183 . . 105 VAL N . 27699 1 430 . 1 1 106 106 LYS C C 13 177.062 . . 1 . . 319 . . 106 LYS C . 27699 1 431 . 1 1 106 106 LYS CA C 13 57.167 . . 1 . . 568 . . 106 LYS CA . 27699 1 432 . 1 1 106 106 LYS CB C 13 33.777 . . 1 . . 569 . . 106 LYS CB . 27699 1 433 . 1 1 107 107 GLY H H 1 8.442 0.014 . 1 . . 113 . . 107 GLY H . 27699 1 434 . 1 1 107 107 GLY C C 13 174.489 0.001 . 1 . . 312 . . 107 GLY C . 27699 1 435 . 1 1 107 107 GLY CA C 13 45.539 0.004 . 1 . . 441 . . 107 GLY CA . 27699 1 436 . 1 1 107 107 GLY N N 15 110.136 0.084 . 1 . . 114 . . 107 GLY N . 27699 1 437 . 1 1 108 108 THR H H 1 8.203 0.007 . 1 . . 81 . . 108 THR H . 27699 1 438 . 1 1 108 108 THR C C 13 175.387 0.002 . 1 . . 256 . . 108 THR C . 27699 1 439 . 1 1 108 108 THR CA C 13 61.786 0.016 . 1 . . 410 . . 108 THR CA . 27699 1 440 . 1 1 108 108 THR CB C 13 70.330 0.008 . 1 . . 411 . . 108 THR CB . 27699 1 441 . 1 1 108 108 THR N N 15 111.758 0.026 . 1 . . 82 . . 108 THR N . 27699 1 442 . 1 1 109 109 GLY H H 1 8.510 0.009 . 1 . . 71 . . 109 GLY H . 27699 1 443 . 1 1 109 109 GLY C C 13 174.766 0.007 . 1 . . 253 . . 109 GLY C . 27699 1 444 . 1 1 109 109 GLY CA C 13 45.798 0.005 . 1 . . 400 . . 109 GLY CA . 27699 1 445 . 1 1 109 109 GLY N N 15 112.489 0.023 . 1 . . 72 . . 109 GLY N . 27699 1 446 . 1 1 110 110 ALA H H 1 8.535 0.007 . 1 . . 111 . . 110 ALA H . 27699 1 447 . 1 1 110 110 ALA C C 13 177.856 0.007 . 1 . . 263 . . 110 ALA C . 27699 1 448 . 1 1 110 110 ALA CA C 13 53.858 0.017 . 1 . . 438 . . 110 ALA CA . 27699 1 449 . 1 1 110 110 ALA CB C 13 19.363 0.02 . 1 . . 511 . . 110 ALA CB . 27699 1 450 . 1 1 110 110 ALA N N 15 124.728 0.015 . 1 . . 112 . . 110 ALA N . 27699 1 451 . 1 1 111 111 ASN H H 1 8.221 0.008 . 1 . . 195 . . 111 ASN H . 27699 1 452 . 1 1 111 111 ASN C C 13 175.313 0.006 . 1 . . 284 . . 111 ASN C . 27699 1 453 . 1 1 111 111 ASN CA C 13 53.168 0.014 . 1 . . 509 . . 111 ASN CA . 27699 1 454 . 1 1 111 111 ASN CB C 13 39.771 0.022 . 1 . . 510 . . 111 ASN CB . 27699 1 455 . 1 1 111 111 ASN N N 15 115.756 0.014 . 1 . . 196 . . 111 ASN N . 27699 1 456 . 1 1 112 112 GLY H H 1 8.167 0.013 . 1 . . 9 . . 112 GLY H . 27699 1 457 . 1 1 112 112 GLY C C 13 172.965 0.003 . 1 . . 228 . . 112 GLY C . 27699 1 458 . 1 1 112 112 GLY CA C 13 45.509 0.005 . 1 . . 346 . . 112 GLY CA . 27699 1 459 . 1 1 112 112 GLY N N 15 108.734 0.013 . 1 . . 10 . . 112 GLY N . 27699 1 460 . 1 1 113 113 SER H H 1 7.962 0.01 . 1 . . 31 . . 113 SER H . 27699 1 461 . 1 1 113 113 SER C C 13 172.866 . . 1 . . 287 . . 113 SER C . 27699 1 462 . 1 1 113 113 SER CA C 13 57.135 0.044 . 1 . . 363 . . 113 SER CA . 27699 1 463 . 1 1 113 113 SER CB C 13 65.744 0.008 . 1 . . 546 . . 113 SER CB . 27699 1 464 . 1 1 113 113 SER N N 15 114.866 0.018 . 1 . . 32 . . 113 SER N . 27699 1 465 . 1 1 114 114 PHE H H 1 8.766 0.017 . 1 . . 3 . . 114 PHE H . 27699 1 466 . 1 1 114 114 PHE C C 13 174.414 0.006 . 1 . . 579 . . 114 PHE C . 27699 1 467 . 1 1 114 114 PHE CA C 13 57.949 0.054 . 1 . . 547 . . 114 PHE CA . 27699 1 468 . 1 1 114 114 PHE CB C 13 43.902 0.023 . 1 . . 548 . . 114 PHE CB . 27699 1 469 . 1 1 114 114 PHE N N 15 120.677 0.022 . 1 . . 4 . . 114 PHE N . 27699 1 470 . 1 1 115 115 LYS H H 1 9.119 0.011 . 1 . . 47 . . 115 LYS H . 27699 1 471 . 1 1 115 115 LYS C C 13 175.717 0.004 . 1 . . 321 . . 115 LYS C . 27699 1 472 . 1 1 115 115 LYS CA C 13 53.787 0.069 . 1 . . 385 . . 115 LYS CA . 27699 1 473 . 1 1 115 115 LYS CB C 13 37.779 0.109 . 1 . . 354 . . 115 LYS CB . 27699 1 474 . 1 1 115 115 LYS N N 15 119.357 0.019 . 1 . . 48 . . 115 LYS N . 27699 1 475 . 1 1 116 116 LEU H H 1 9.057 0.008 . 1 . . 119 . . 116 LEU H . 27699 1 476 . 1 1 116 116 LEU C C 13 177.179 0.003 . 1 . . 267 . . 116 LEU C . 27699 1 477 . 1 1 116 116 LEU CA C 13 56.453 0.003 . 1 . . 448 . . 116 LEU CA . 27699 1 478 . 1 1 116 116 LEU CB C 13 41.934 0.041 . 1 . . 447 . . 116 LEU CB . 27699 1 479 . 1 1 116 116 LEU N N 15 122.109 0.092 . 1 . . 120 . . 116 LEU N . 27699 1 480 . 1 1 117 117 ASN H H 1 8.463 0.014 . 1 . . 61 . . 117 ASN H . 27699 1 481 . 1 1 117 117 ASN C C 13 175.561 0.004 . 1 . . 244 . . 117 ASN C . 27699 1 482 . 1 1 117 117 ASN CA C 13 52.644 0.003 . 1 . . 397 . . 117 ASN CA . 27699 1 483 . 1 1 117 117 ASN CB C 13 38.336 0.013 . 1 . . 343 . . 117 ASN CB . 27699 1 484 . 1 1 117 117 ASN N N 15 120.963 0.028 . 1 . . 62 . . 117 ASN N . 27699 1 485 . 1 1 118 118 ARG H H 1 8.195 0.008 . 1 . . 7 . . 118 ARG H . 27699 1 486 . 1 1 118 118 ARG C C 13 175.707 0.01 . 1 . . 227 . . 118 ARG C . 27699 1 487 . 1 1 118 118 ARG CA C 13 56.095 0.006 . 1 . . 345 . . 118 ARG CA . 27699 1 488 . 1 1 118 118 ARG CB C 13 30.929 0.001 . 1 . . 344 . . 118 ARG CB . 27699 1 489 . 1 1 118 118 ARG N N 15 125.803 0.031 . 1 . . 8 . . 118 ARG N . 27699 1 490 . 1 1 119 119 LYS H H 1 8.052 0.01 . 1 . . 174 . . 119 LYS H . 27699 1 491 . 1 1 119 119 LYS C C 13 182.178 . . 1 . . 280 . . 119 LYS C . 27699 1 492 . 1 1 119 119 LYS CA C 13 58.502 . . 1 . . 495 . . 119 LYS CA . 27699 1 493 . 1 1 119 119 LYS CB C 13 33.698 . . 1 . . 496 . . 119 LYS CB . 27699 1 494 . 1 1 119 119 LYS N N 15 127.747 0.011 . 1 . . 175 . . 119 LYS N . 27699 1 stop_ save_