################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27700 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $CondSet1 _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' 1 $NGH1x_low_ionic_strength isotropic 27700 1 2 '3D HNCO' 1 $NGH1x_low_ionic_strength isotropic 27700 1 3 '3D HNCACB' 1 $NGH1x_low_ionic_strength isotropic 27700 1 4 'HNCOCACB (H[N[co[{CA|ca[C]}]]])' 1 $NGH1x_low_ionic_strength isotropic 27700 1 5 'HNCACO (H[N[ca[CO]]])' 1 $NGH1x_low_ionic_strength isotropic 27700 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 . . 27700 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 3 3 VAL C C 13 176.087 . . 1 . . 327 . . 3 VAL C . 27700 1 2 . 1 1 3 3 VAL CA C 13 62.525 . . 1 . . 326 . . 3 VAL CA . 27700 1 3 . 1 1 3 3 VAL CB C 13 32.689 . . 1 . . 325 . . 3 VAL CB . 27700 1 4 . 1 1 4 4 GLU H H 1 8.605 0.001 . 1 . . 63 . . 4 GLU H . 27700 1 5 . 1 1 4 4 GLU C C 13 176.364 0.005 . 1 . . 328 . . 4 GLU C . 27700 1 6 . 1 1 4 4 GLU CA C 13 56.507 0.001 . 1 . . 423 . . 4 GLU CA . 27700 1 7 . 1 1 4 4 GLU CB C 13 30.041 0.021 . 1 . . 329 . . 4 GLU CB . 27700 1 8 . 1 1 4 4 GLU N N 15 125.268 0.007 . 1 . . 64 . . 4 GLU N . 27700 1 9 . 1 1 5 5 LEU H H 1 8.330 0.001 . 1 . . 149 . . 5 LEU H . 27700 1 10 . 1 1 5 5 LEU C C 13 177.297 0.007 . 1 . . 422 . . 5 LEU C . 27700 1 11 . 1 1 5 5 LEU CA C 13 55.074 0.014 . 1 . . 413 . . 5 LEU CA . 27700 1 12 . 1 1 5 5 LEU CB C 13 42.415 0.014 . 1 . . 424 . . 5 LEU CB . 27700 1 13 . 1 1 5 5 LEU N N 15 124.015 0.006 . 1 . . 150 . . 5 LEU N . 27700 1 14 . 1 1 6 6 GLU H H 1 8.413 0.004 . 1 . . 139 . . 6 GLU H . 27700 1 15 . 1 1 6 6 GLU C C 13 176.358 0.014 . 1 . . 412 . . 6 GLU C . 27700 1 16 . 1 1 6 6 GLU CA C 13 56.444 0.042 . 1 . . 414 . . 6 GLU CA . 27700 1 17 . 1 1 6 6 GLU CB C 13 30.356 0.011 . 1 . . 401 . . 6 GLU CB . 27700 1 18 . 1 1 6 6 GLU N N 15 122.933 0.084 . 1 . . 140 . . 6 GLU N . 27700 1 19 . 1 1 7 7 GLU H H 1 8.424 0.003 . 1 . . 125 . . 7 GLU H . 27700 1 20 . 1 1 7 7 GLU C C 13 175.851 0.007 . 1 . . 400 . . 7 GLU C . 27700 1 21 . 1 1 7 7 GLU CA C 13 56.237 . . 1 . . 273 . . 7 GLU CA . 27700 1 22 . 1 1 7 7 GLU CB C 13 30.505 . . 1 . . 272 . . 7 GLU CB . 27700 1 23 . 1 1 7 7 GLU N N 15 123.086 0.023 . 1 . . 126 . . 7 GLU N . 27700 1 24 . 1 1 8 8 ALA H H 1 8.361 0.001 . 1 . . 33 . . 8 ALA H . 27700 1 25 . 1 1 8 8 ALA C C 13 177.417 0.006 . 1 . . 274 . . 8 ALA C . 27700 1 26 . 1 1 8 8 ALA CA C 13 52.063 0.007 . 1 . . 275 . . 8 ALA CA . 27700 1 27 . 1 1 8 8 ALA CB C 13 19.185 0.016 . 1 . . 284 . . 8 ALA CB . 27700 1 28 . 1 1 8 8 ALA N N 15 126.463 0.009 . 1 . . 34 . . 8 ALA N . 27700 1 29 . 1 1 9 9 LEU H H 1 8.303 0.002 . 1 . . 39 . . 9 LEU H . 27700 1 30 . 1 1 9 9 LEU C C 13 175.321 . . 1 . . 283 . . 9 LEU C . 27700 1 31 . 1 1 9 9 LEU CA C 13 53.001 . . 1 . . 285 . . 9 LEU CA . 27700 1 32 . 1 1 9 9 LEU CB C 13 41.551 . . 1 . . 286 . . 9 LEU CB . 27700 1 33 . 1 1 9 9 LEU N N 15 123.971 0.007 . 1 . . 40 . . 9 LEU N . 27700 1 34 . 1 1 10 10 PRO C C 13 176.865 . . 1 . . 391 . . 10 PRO C . 27700 1 35 . 1 1 10 10 PRO CA C 13 62.873 . . 1 . . 393 . . 10 PRO CA . 27700 1 36 . 1 1 10 10 PRO CB C 13 32.044 . . 1 . . 392 . . 10 PRO CB . 27700 1 37 . 1 1 11 11 VAL H H 1 8.376 0.002 . 1 . . 119 . . 11 VAL H . 27700 1 38 . 1 1 11 11 VAL C C 13 176.683 0.01 . 1 . . 390 . . 11 VAL C . 27700 1 39 . 1 1 11 11 VAL CA C 13 62.308 0.0 . 1 . . 388 . . 11 VAL CA . 27700 1 40 . 1 1 11 11 VAL CB C 13 32.760 0.033 . 1 . . 394 . . 11 VAL CB . 27700 1 41 . 1 1 11 11 VAL N N 15 121.611 0.007 . 1 . . 120 . . 11 VAL N . 27700 1 42 . 1 1 12 12 THR H H 1 8.346 0.001 . 1 . . 117 . . 12 THR H . 27700 1 43 . 1 1 12 12 THR C C 13 174.685 0.007 . 1 . . 387 . . 12 THR C . 27700 1 44 . 1 1 12 12 THR CA C 13 61.595 0.041 . 1 . . 389 . . 12 THR CA . 27700 1 45 . 1 1 12 12 THR CB C 13 69.896 0.002 . 1 . . 473 . . 12 THR CB . 27700 1 46 . 1 1 12 12 THR N N 15 118.877 0.032 . 1 . . 118 . . 12 THR N . 27700 1 47 . 1 1 13 13 THR H H 1 8.213 0.001 . 1 . . 183 . . 13 THR H . 27700 1 48 . 1 1 13 13 THR C C 13 174.560 0.004 . 1 . . 472 . . 13 THR C . 27700 1 49 . 1 1 13 13 THR CA C 13 61.628 . . 1 . . 250 . . 13 THR CA . 27700 1 50 . 1 1 13 13 THR CB C 13 70.076 . . 1 . . 251 . . 13 THR CB . 27700 1 51 . 1 1 13 13 THR N N 15 116.977 0.004 . 1 . . 184 . . 13 THR N . 27700 1 52 . 1 1 14 14 ALA H H 1 8.510 0.001 . 1 . . 21 . . 14 ALA H . 27700 1 53 . 1 1 14 14 ALA C C 13 178.484 0.015 . 1 . . 249 . . 14 ALA C . 27700 1 54 . 1 1 14 14 ALA CA C 13 53.221 0.001 . 1 . . 252 . . 14 ALA CA . 27700 1 55 . 1 1 14 14 ALA CB C 13 18.898 0.031 . 1 . . 253 . . 14 ALA CB . 27700 1 56 . 1 1 14 14 ALA N N 15 126.700 0.008 . 1 . . 22 . . 14 ALA N . 27700 1 57 . 1 1 15 15 GLU H H 1 8.462 0.001 . 1 . . 113 . . 15 GLU H . 27700 1 58 . 1 1 15 15 GLU C C 13 177.590 0.006 . 1 . . 380 . . 15 GLU C . 27700 1 59 . 1 1 15 15 GLU CA C 13 57.425 0.004 . 1 . . 382 . . 15 GLU CA . 27700 1 60 . 1 1 15 15 GLU CB C 13 29.907 0.002 . 1 . . 381 . . 15 GLU CB . 27700 1 61 . 1 1 15 15 GLU N N 15 120.518 0.005 . 1 . . 114 . . 15 GLU N . 27700 1 62 . 1 1 16 16 GLY H H 1 8.381 0.002 . 1 . . 217 . . 16 GLY H . 27700 1 63 . 1 1 16 16 GLY C C 13 174.761 0.009 . 1 . . 516 . . 16 GLY C . 27700 1 64 . 1 1 16 16 GLY CA C 13 45.561 0.003 . 1 . . 517 . . 16 GLY CA . 27700 1 65 . 1 1 16 16 GLY N N 15 110.146 0.008 . 1 . . 218 . . 16 GLY N . 27700 1 66 . 1 1 17 17 MET H H 1 8.077 0.002 . 1 . . 145 . . 17 MET H . 27700 1 67 . 1 1 17 17 MET C C 13 176.464 0.009 . 1 . . 417 . . 17 MET C . 27700 1 68 . 1 1 17 17 MET CA C 13 55.648 0.003 . 1 . . 418 . . 17 MET CA . 27700 1 69 . 1 1 17 17 MET CB C 13 32.667 0.003 . 1 . . 440 . . 17 MET CB . 27700 1 70 . 1 1 17 17 MET N N 15 120.388 0.003 . 1 . . 146 . . 17 MET N . 27700 1 71 . 1 1 18 18 ALA H H 1 8.197 0.002 . 1 . . 71 . . 18 ALA H . 27700 1 72 . 1 1 18 18 ALA C C 13 177.898 0.005 . 1 . . 439 . . 18 ALA C . 27700 1 73 . 1 1 18 18 ALA CA C 13 52.797 0.031 . 1 . . 525 . . 18 ALA CA . 27700 1 74 . 1 1 18 18 ALA CB C 13 18.911 0.012 . 1 . . 442 . . 18 ALA CB . 27700 1 75 . 1 1 18 18 ALA N N 15 125.091 0.014 . 1 . . 72 . . 18 ALA N . 27700 1 76 . 1 1 19 19 LYS H H 1 8.176 0.002 . 1 . . 181 . . 19 LYS H . 27700 1 77 . 1 1 19 19 LYS N N 15 121.033 0.004 . 1 . . 182 . . 19 LYS N . 27700 1 78 . 1 1 20 20 LYS H H 1 8.284 0.002 . 1 . . 79 . . 20 LYS H . 27700 1 79 . 1 1 20 20 LYS C C 13 176.591 0.024 . 1 . . 383 . . 20 LYS C . 27700 1 80 . 1 1 20 20 LYS N N 15 123.697 0.013 . 1 . . 80 . . 20 LYS N . 27700 1 81 . 1 1 21 21 VAL H H 1 8.306 0.002 . 1 . . 115 . . 21 VAL H . 27700 1 82 . 1 1 21 21 VAL C C 13 176.392 0.009 . 1 . . 396 . . 21 VAL C . 27700 1 83 . 1 1 21 21 VAL CA C 13 62.277 0.053 . 1 . . 384 . . 21 VAL CA . 27700 1 84 . 1 1 21 21 VAL CB C 13 32.851 0.003 . 1 . . 397 . . 21 VAL CB . 27700 1 85 . 1 1 21 21 VAL N N 15 123.268 0.035 . 1 . . 116 . . 21 VAL N . 27700 1 86 . 1 1 22 22 THR H H 1 8.387 0.001 . 1 . . 121 . . 22 THR H . 27700 1 87 . 1 1 22 22 THR C C 13 174.332 0.006 . 1 . . 395 . . 22 THR C . 27700 1 88 . 1 1 22 22 THR CA C 13 61.877 0.04 . 1 . . 398 . . 22 THR CA . 27700 1 89 . 1 1 22 22 THR CB C 13 69.875 0.014 . 1 . . 317 . . 22 THR CB . 27700 1 90 . 1 1 22 22 THR N N 15 120.505 0.007 . 1 . . 122 . . 22 THR N . 27700 1 91 . 1 1 23 23 LYS H H 1 8.467 0.001 . 1 . . 59 . . 23 LYS H . 27700 1 92 . 1 1 23 23 LYS C C 13 176.237 0.007 . 1 . . 314 . . 23 LYS C . 27700 1 93 . 1 1 23 23 LYS CA C 13 56.246 0.0 . 1 . . 315 . . 23 LYS CA . 27700 1 94 . 1 1 23 23 LYS CB C 13 33.086 0.005 . 1 . . 316 . . 23 LYS CB . 27700 1 95 . 1 1 23 23 LYS N N 15 125.475 0.008 . 1 . . 60 . . 23 LYS N . 27700 1 96 . 1 1 24 24 ALA H H 1 8.487 0.002 . 1 . . 57 . . 24 ALA H . 27700 1 97 . 1 1 24 24 ALA C C 13 178.292 0.006 . 1 . . 311 . . 24 ALA C . 27700 1 98 . 1 1 24 24 ALA CA C 13 52.624 0.009 . 1 . . 312 . . 24 ALA CA . 27700 1 99 . 1 1 24 24 ALA CB C 13 19.121 0.01 . 1 . . 313 . . 24 ALA CB . 27700 1 100 . 1 1 24 24 ALA N N 15 126.803 0.009 . 1 . . 58 . . 24 ALA N . 27700 1 101 . 1 1 25 25 GLY H H 1 8.484 0.001 . 1 . . 199 . . 25 GLY H . 27700 1 102 . 1 1 25 25 GLY C C 13 174.796 0.006 . 1 . . 497 . . 25 GLY C . 27700 1 103 . 1 1 25 25 GLY CA C 13 45.206 0.002 . 1 . . 308 . . 25 GLY CA . 27700 1 104 . 1 1 25 25 GLY N N 15 109.461 0.007 . 1 . . 200 . . 25 GLY N . 27700 1 105 . 1 1 26 26 GLY H H 1 8.312 0.001 . 1 . . 53 . . 26 GLY H . 27700 1 106 . 1 1 26 26 GLY C C 13 174.351 0.011 . 1 . . 307 . . 26 GLY C . 27700 1 107 . 1 1 26 26 GLY CA C 13 45.114 0.028 . 1 . . 526 . . 26 GLY CA . 27700 1 108 . 1 1 26 26 GLY N N 15 109.368 0.005 . 1 . . 54 . . 26 GLY N . 27700 1 109 . 1 1 27 27 SER H H 1 8.364 0.001 . 1 . . 213 . . 27 SER H . 27700 1 110 . 1 1 27 27 SER C C 13 174.580 0.011 . 1 . . 509 . . 27 SER C . 27700 1 111 . 1 1 27 27 SER CA C 13 58.385 0.002 . 1 . . 233 . . 27 SER CA . 27700 1 112 . 1 1 27 27 SER CB C 13 63.780 0.003 . 1 . . 510 . . 27 SER CB . 27700 1 113 . 1 1 27 27 SER N N 15 116.451 0.004 . 1 . . 214 . . 27 SER N . 27700 1 114 . 1 1 28 28 ALA H H 1 8.417 0.001 . 1 . . 11 . . 28 ALA H . 27700 1 115 . 1 1 28 28 ALA C C 13 177.555 0.007 . 1 . . 234 . . 28 ALA C . 27700 1 116 . 1 1 28 28 ALA CA C 13 52.559 0.006 . 1 . . 399 . . 28 ALA CA . 27700 1 117 . 1 1 28 28 ALA CB C 13 19.037 0.012 . 1 . . 232 . . 28 ALA CB . 27700 1 118 . 1 1 28 28 ALA N N 15 126.792 0.008 . 1 . . 12 . . 28 ALA N . 27700 1 119 . 1 1 29 29 ALA H H 1 8.191 0.001 . 1 . . 123 . . 29 ALA H . 27700 1 120 . 1 1 29 29 ALA C C 13 177.600 0.025 . 1 . . 527 . . 29 ALA C . 27700 1 121 . 1 1 29 29 ALA CA C 13 52.113 0.025 . 1 . . 528 . . 29 ALA CA . 27700 1 122 . 1 1 29 29 ALA CB C 13 19.087 0.095 . 1 . . 529 . . 29 ALA CB . 27700 1 123 . 1 1 29 29 ALA N N 15 123.612 0.008 . 1 . . 124 . . 29 ALA N . 27700 1 124 . 1 1 30 30 LEU H H 1 8.188 0.002 . 1 . . 203 . . 30 LEU H . 27700 1 125 . 1 1 30 30 LEU C C 13 176.560 0.005 . 1 . . 511 . . 30 LEU C . 27700 1 126 . 1 1 30 30 LEU CA C 13 55.029 0.017 . 1 . . 512 . . 30 LEU CA . 27700 1 127 . 1 1 30 30 LEU CB C 13 42.395 0.018 . 1 . . 374 . . 30 LEU CB . 27700 1 128 . 1 1 30 30 LEU N N 15 122.317 0.122 . 1 . . 204 . . 30 LEU N . 27700 1 129 . 1 1 31 31 SER H H 1 8.040 0.002 . 1 . . 207 . . 31 SER H . 27700 1 130 . 1 1 31 31 SER C C 13 172.751 . . 1 . . 506 . . 31 SER C . 27700 1 131 . 1 1 31 31 SER CA C 13 55.214 . . 1 . . 507 . . 31 SER CA . 27700 1 132 . 1 1 31 31 SER CB C 13 64.314 . . 1 . . 508 . . 31 SER CB . 27700 1 133 . 1 1 31 31 SER N N 15 117.064 0.008 . 1 . . 208 . . 31 SER N . 27700 1 134 . 1 1 33 33 SER H H 1 8.421 0.003 . 1 . . 31 . . 33 SER H . 27700 1 135 . 1 1 33 33 SER C C 13 174.936 0.01 . 1 . . 268 . . 33 SER C . 27700 1 136 . 1 1 33 33 SER CA C 13 58.583 0.004 . 1 . . 271 . . 33 SER CA . 27700 1 137 . 1 1 33 33 SER CB C 13 63.624 0.073 . 1 . . 429 . . 33 SER CB . 27700 1 138 . 1 1 33 33 SER N N 15 116.568 0.007 . 1 . . 32 . . 33 SER N . 27700 1 139 . 1 1 34 34 LYS H H 1 8.385 0.002 . 1 . . 153 . . 34 LYS H . 27700 1 140 . 1 1 34 34 LYS C C 13 176.683 0.043 . 1 . . 231 . . 34 LYS C . 27700 1 141 . 1 1 34 34 LYS CA C 13 56.421 0.04 . 1 . . 370 . . 34 LYS CA . 27700 1 142 . 1 1 34 34 LYS N N 15 124.443 0.018 . 1 . . 154 . . 34 LYS N . 27700 1 143 . 1 1 36 36 ARG H H 1 8.429 0.002 . 1 . . 83 . . 36 ARG H . 27700 1 144 . 1 1 36 36 ARG C C 13 176.491 0.005 . 1 . . 524 . . 36 ARG C . 27700 1 145 . 1 1 36 36 ARG CA C 13 56.038 0.09 . 1 . . 530 . . 36 ARG CA . 27700 1 146 . 1 1 36 36 ARG CB C 13 30.828 0.008 . 1 . . 346 . . 36 ARG CB . 27700 1 147 . 1 1 36 36 ARG N N 15 123.775 0.018 . 1 . . 84 . . 36 ARG N . 27700 1 148 . 1 1 37 37 LYS H H 1 8.522 0.002 . 1 . . 99 . . 37 LYS H . 27700 1 149 . 1 1 37 37 LYS C C 13 176.477 0.002 . 1 . . 551 . . 37 LYS C . 27700 1 150 . 1 1 37 37 LYS CA C 13 56.639 0.061 . 1 . . 365 . . 37 LYS CA . 27700 1 151 . 1 1 37 37 LYS CB C 13 32.950 0.06 . 1 . . 344 . . 37 LYS CB . 27700 1 152 . 1 1 37 37 LYS N N 15 124.071 0.006 . 1 . . 100 . . 37 LYS N . 27700 1 153 . 1 1 38 38 ASN H H 1 8.625 0.002 . 1 . . 167 . . 38 ASN H . 27700 1 154 . 1 1 38 38 ASN C C 13 175.374 0.006 . 1 . . 451 . . 38 ASN C . 27700 1 155 . 1 1 38 38 ASN CA C 13 53.154 0.005 . 1 . . 453 . . 38 ASN CA . 27700 1 156 . 1 1 38 38 ASN CB C 13 38.830 0.011 . 1 . . 452 . . 38 ASN CB . 27700 1 157 . 1 1 38 38 ASN N N 15 121.083 0.006 . 1 . . 168 . . 38 ASN N . 27700 1 158 . 1 1 39 39 SER H H 1 8.405 0.002 . 1 . . 61 . . 39 SER H . 27700 1 159 . 1 1 39 39 SER C C 13 174.608 0.006 . 1 . . 318 . . 39 SER C . 27700 1 160 . 1 1 39 39 SER CA C 13 58.548 0.01 . 1 . . 319 . . 39 SER CA . 27700 1 161 . 1 1 39 39 SER CB C 13 63.764 0.005 . 1 . . 320 . . 39 SER CB . 27700 1 162 . 1 1 39 39 SER N N 15 117.744 0.008 . 1 . . 62 . . 39 SER N . 27700 1 163 . 1 1 40 40 LYS H H 1 8.428 0.001 . 1 . . 9 . . 40 LYS H . 27700 1 164 . 1 1 40 40 LYS C C 13 176.742 . . 1 . . 564 . . 40 LYS C . 27700 1 165 . 1 1 40 40 LYS CA C 13 56.407 . . 1 . . 563 . . 40 LYS CA . 27700 1 166 . 1 1 40 40 LYS CB C 13 32.857 . . 1 . . 562 . . 40 LYS CB . 27700 1 167 . 1 1 40 40 LYS N N 15 123.861 0.143 . 1 . . 10 . . 40 LYS N . 27700 1 168 . 1 1 41 41 LYS H H 1 8.316 0.015 . 1 . . 105 . . 41 LYS H . 27700 1 169 . 1 1 41 41 LYS C C 13 176.676 0.021 . 1 . . 342 . . 41 LYS C . 27700 1 170 . 1 1 41 41 LYS CA C 13 56.342 0.029 . 1 . . 561 . . 41 LYS CA . 27700 1 171 . 1 1 41 41 LYS CB C 13 32.925 0.021 . 1 . . 560 . . 41 LYS CB . 27700 1 172 . 1 1 41 41 LYS N N 15 123.360 0.113 . 1 . . 106 . . 41 LYS N . 27700 1 173 . 1 1 42 42 LYS H H 1 8.438 0.006 . 1 . . 103 . . 42 LYS H . 27700 1 174 . 1 1 42 42 LYS C C 13 176.300 0.008 . 1 . . 369 . . 42 LYS C . 27700 1 175 . 1 1 42 42 LYS CA C 13 56.312 0.032 . 1 . . 558 . . 42 LYS CA . 27700 1 176 . 1 1 42 42 LYS CB C 13 33.015 0.057 . 1 . . 557 . . 42 LYS CB . 27700 1 177 . 1 1 42 42 LYS N N 15 123.575 0.105 . 1 . . 104 . . 42 LYS N . 27700 1 178 . 1 1 43 43 ASN H H 1 8.505 0.006 . 1 . . 129 . . 43 ASN H . 27700 1 179 . 1 1 43 43 ASN C C 13 174.691 0.004 . 1 . . 491 . . 43 ASN C . 27700 1 180 . 1 1 43 43 ASN CA C 13 53.096 0.008 . 1 . . 492 . . 43 ASN CA . 27700 1 181 . 1 1 43 43 ASN CB C 13 38.682 0.002 . 1 . . 403 . . 43 ASN CB . 27700 1 182 . 1 1 43 43 ASN N N 15 120.484 0.076 . 1 . . 130 . . 43 ASN N . 27700 1 183 . 1 1 44 44 GLN H H 1 8.311 0.006 . 1 . . 195 . . 44 GLN H . 27700 1 184 . 1 1 44 44 GLN C C 13 173.749 . . 1 . . 490 . . 44 GLN C . 27700 1 185 . 1 1 44 44 GLN CA C 13 54.098 . . 1 . . 494 . . 44 GLN CA . 27700 1 186 . 1 1 44 44 GLN CB C 13 28.738 . . 1 . . 493 . . 44 GLN CB . 27700 1 187 . 1 1 44 44 GLN N N 15 121.947 0.023 . 1 . . 196 . . 44 GLN N . 27700 1 188 . 1 1 46 46 GLY H H 1 8.456 0.024 . 1 . . 157 . . 46 GLY H . 27700 1 189 . 1 1 46 46 GLY CA C 13 45.873 . . 1 . . 565 . . 46 GLY CA . 27700 1 190 . 1 1 46 46 GLY N N 15 109.689 0.173 . 1 . . 158 . . 46 GLY N . 27700 1 191 . 1 1 47 47 LYS H H 1 8.196 0.015 . 1 . . 127 . . 47 LYS H . 27700 1 192 . 1 1 47 47 LYS N N 15 121.855 0.187 . 1 . . 128 . . 47 LYS N . 27700 1 193 . 1 1 49 49 SER H H 1 8.228 0.002 . 1 . . 93 . . 49 SER H . 27700 1 194 . 1 1 49 49 SER CA C 13 62.460 0.037 . 1 . . 359 . . 49 SER CA . 27700 1 195 . 1 1 49 49 SER N N 15 118.394 0.01 . 1 . . 94 . . 49 SER N . 27700 1 196 . 1 1 50 50 GLN H H 1 7.903 0.015 . 1 . . 159 . . 50 GLN H . 27700 1 197 . 1 1 50 50 GLN C C 13 177.768 0.015 . 1 . . 531 . . 50 GLN C . 27700 1 198 . 1 1 50 50 GLN CA C 13 58.758 0.013 . 1 . . 437 . . 50 GLN CA . 27700 1 199 . 1 1 50 50 GLN CB C 13 28.030 0.037 . 1 . . 438 . . 50 GLN CB . 27700 1 200 . 1 1 50 50 GLN N N 15 121.116 0.063 . 1 . . 160 . . 50 GLN N . 27700 1 201 . 1 1 51 51 LEU H H 1 7.742 0.003 . 1 . . 137 . . 51 LEU H . 27700 1 202 . 1 1 51 51 LEU C C 13 180.491 0.001 . 1 . . 340 . . 51 LEU C . 27700 1 203 . 1 1 51 51 LEU CA C 13 57.639 0.029 . 1 . . 411 . . 51 LEU CA . 27700 1 204 . 1 1 51 51 LEU CB C 13 41.924 0.005 . 1 . . 410 . . 51 LEU CB . 27700 1 205 . 1 1 51 51 LEU N N 15 120.434 0.009 . 1 . . 138 . . 51 LEU N . 27700 1 206 . 1 1 52 52 VAL H H 1 8.362 0.017 . 1 . . 75 . . 52 VAL H . 27700 1 207 . 1 1 52 52 VAL C C 13 176.802 . . 1 . . 224 . . 52 VAL C . 27700 1 208 . 1 1 52 52 VAL CA C 13 68.585 0.006 . 1 . . 341 . . 52 VAL CA . 27700 1 209 . 1 1 52 52 VAL CB C 13 31.424 0.005 . 1 . . 532 . . 52 VAL CB . 27700 1 210 . 1 1 52 52 VAL N N 15 123.744 0.113 . 1 . . 76 . . 52 VAL N . 27700 1 211 . 1 1 53 53 VAL H H 1 7.569 0.003 . 1 . . 5 . . 53 VAL H . 27700 1 212 . 1 1 53 53 VAL C C 13 177.659 0.012 . 1 . . 225 . . 53 VAL C . 27700 1 213 . 1 1 53 53 VAL CA C 13 67.884 0.029 . 1 . . 227 . . 53 VAL CA . 27700 1 214 . 1 1 53 53 VAL CB C 13 32.015 0.015 . 1 . . 226 . . 53 VAL CB . 27700 1 215 . 1 1 53 53 VAL N N 15 118.911 0.006 . 1 . . 6 . . 53 VAL N . 27700 1 216 . 1 1 54 54 GLU H H 1 8.579 0.002 . 1 . . 29 . . 54 GLU H . 27700 1 217 . 1 1 54 54 GLU C C 13 179.586 0.01 . 1 . . 264 . . 54 GLU C . 27700 1 218 . 1 1 54 54 GLU CA C 13 58.827 0.008 . 1 . . 265 . . 54 GLU CA . 27700 1 219 . 1 1 54 54 GLU CB C 13 29.382 0.01 . 1 . . 266 . . 54 GLU CB . 27700 1 220 . 1 1 54 54 GLU N N 15 117.646 0.01 . 1 . . 30 . . 54 GLU N . 27700 1 221 . 1 1 55 55 THR H H 1 8.331 0.003 . 1 . . 47 . . 55 THR H . 27700 1 222 . 1 1 55 55 THR N N 15 117.426 0.015 . 1 . . 48 . . 55 THR N . 27700 1 223 . 1 1 56 56 ILE C C 13 179.535 . . 1 . . 462 . . 56 ILE C . 27700 1 224 . 1 1 56 56 ILE CA C 13 67.061 . . 1 . . 464 . . 56 ILE CA . 27700 1 225 . 1 1 56 56 ILE CB C 13 38.465 . . 1 . . 463 . . 56 ILE CB . 27700 1 226 . 1 1 57 57 ARG H H 1 8.444 0.006 . 1 . . 175 . . 57 ARG H . 27700 1 227 . 1 1 57 57 ARG C C 13 178.587 0.007 . 1 . . 533 . . 57 ARG C . 27700 1 228 . 1 1 57 57 ARG CA C 13 59.585 0.038 . 1 . . 465 . . 57 ARG CA . 27700 1 229 . 1 1 57 57 ARG CB C 13 30.378 0.029 . 1 . . 466 . . 57 ARG CB . 27700 1 230 . 1 1 57 57 ARG N N 15 120.985 0.023 . 1 . . 176 . . 57 ARG N . 27700 1 231 . 1 1 58 58 ARG H H 1 8.201 0.004 . 1 . . 25 . . 58 ARG H . 27700 1 232 . 1 1 58 58 ARG C C 13 178.860 0.006 . 1 . . 258 . . 58 ARG C . 27700 1 233 . 1 1 58 58 ARG CA C 13 59.070 0.026 . 1 . . 260 . . 58 ARG CA . 27700 1 234 . 1 1 58 58 ARG CB C 13 30.178 0.018 . 1 . . 259 . . 58 ARG CB . 27700 1 235 . 1 1 58 58 ARG N N 15 119.560 0.012 . 1 . . 26 . . 58 ARG N . 27700 1 236 . 1 1 59 59 LEU H H 1 8.155 0.005 . 1 . . 69 . . 59 LEU H . 27700 1 237 . 1 1 59 59 LEU C C 13 179.472 0.007 . 1 . . 335 . . 59 LEU C . 27700 1 238 . 1 1 59 59 LEU CA C 13 57.217 0.014 . 1 . . 337 . . 59 LEU CA . 27700 1 239 . 1 1 59 59 LEU CB C 13 42.243 0.017 . 1 . . 336 . . 59 LEU CB . 27700 1 240 . 1 1 59 59 LEU N N 15 118.907 0.008 . 1 . . 70 . . 59 LEU N . 27700 1 241 . 1 1 60 60 GLY H H 1 7.489 0.002 . 1 . . 143 . . 60 GLY H . 27700 1 242 . 1 1 60 60 GLY C C 13 175.095 0.01 . 1 . . 534 . . 60 GLY C . 27700 1 243 . 1 1 60 60 GLY CA C 13 47.603 0.007 . 1 . . 280 . . 60 GLY CA . 27700 1 244 . 1 1 60 60 GLY N N 15 105.025 0.007 . 1 . . 144 . . 60 GLY N . 27700 1 245 . 1 1 61 61 GLU H H 1 8.648 0.002 . 1 . . 37 . . 61 GLU H . 27700 1 246 . 1 1 61 61 GLU C C 13 179.271 0.007 . 1 . . 279 . . 61 GLU C . 27700 1 247 . 1 1 61 61 GLU CA C 13 57.791 0.008 . 1 . . 281 . . 61 GLU CA . 27700 1 248 . 1 1 61 61 GLU N N 15 119.124 0.006 . 1 . . 38 . . 61 GLU N . 27700 1 249 . 1 1 62 62 ARG H H 1 9.244 0.003 . 1 . . 77 . . 62 ARG H . 27700 1 250 . 1 1 62 62 ARG C C 13 177.107 0.017 . 1 . . 501 . . 62 ARG C . 27700 1 251 . 1 1 62 62 ARG CA C 13 59.510 0.035 . 1 . . 503 . . 62 ARG CA . 27700 1 252 . 1 1 62 62 ARG CB C 13 30.129 0.033 . 1 . . 282 . . 62 ARG CB . 27700 1 253 . 1 1 62 62 ARG N N 15 128.488 0.007 . 1 . . 78 . . 62 ARG N . 27700 1 254 . 1 1 63 63 ASN H H 1 8.699 0.003 . 1 . . 211 . . 63 ASN H . 27700 1 255 . 1 1 63 63 ASN C C 13 174.844 0.009 . 1 . . 502 . . 63 ASN C . 27700 1 256 . 1 1 63 63 ASN CA C 13 51.810 0.034 . 1 . . 504 . . 63 ASN CA . 27700 1 257 . 1 1 63 63 ASN CB C 13 38.460 0.019 . 1 . . 505 . . 63 ASN CB . 27700 1 258 . 1 1 63 63 ASN N N 15 115.008 0.008 . 1 . . 212 . . 63 ASN N . 27700 1 259 . 1 1 64 64 GLY H H 1 7.023 0.003 . 1 . . 191 . . 64 GLY H . 27700 1 260 . 1 1 64 64 GLY C C 13 171.974 0.01 . 1 . . 535 . . 64 GLY C . 27700 1 261 . 1 1 64 64 GLY CA C 13 44.806 0.007 . 1 . . 485 . . 64 GLY CA . 27700 1 262 . 1 1 64 64 GLY N N 15 104.616 0.01 . 1 . . 192 . . 64 GLY N . 27700 1 263 . 1 1 65 65 SER H H 1 8.623 0.002 . 1 . . 89 . . 65 SER H . 27700 1 264 . 1 1 65 65 SER C C 13 173.650 0.024 . 1 . . 478 . . 65 SER C . 27700 1 265 . 1 1 65 65 SER CA C 13 57.242 0.006 . 1 . . 351 . . 65 SER CA . 27700 1 266 . 1 1 65 65 SER CB C 13 66.772 0.03 . 1 . . 352 . . 65 SER CB . 27700 1 267 . 1 1 65 65 SER N N 15 113.504 0.005 . 1 . . 90 . . 65 SER N . 27700 1 268 . 1 1 66 66 SER H H 1 8.775 0.003 . 1 . . 187 . . 66 SER H . 27700 1 269 . 1 1 66 66 SER C C 13 174.559 0.005 . 1 . . 536 . . 66 SER C . 27700 1 270 . 1 1 66 66 SER CA C 13 56.787 0.029 . 1 . . 480 . . 66 SER CA . 27700 1 271 . 1 1 66 66 SER CB C 13 65.472 0.04 . 1 . . 479 . . 66 SER CB . 27700 1 272 . 1 1 66 66 SER N N 15 121.927 0.007 . 1 . . 188 . . 66 SER N . 27700 1 273 . 1 1 67 67 LEU H H 1 9.391 0.003 . 1 . . 111 . . 67 LEU H . 27700 1 274 . 1 1 67 67 LEU C C 13 177.734 0.007 . 1 . . 537 . . 67 LEU C . 27700 1 275 . 1 1 67 67 LEU CA C 13 58.924 0.007 . 1 . . 378 . . 67 LEU CA . 27700 1 276 . 1 1 67 67 LEU CB C 13 40.633 0.003 . 1 . . 379 . . 67 LEU CB . 27700 1 277 . 1 1 67 67 LEU N N 15 121.669 0.009 . 1 . . 112 . . 67 LEU N . 27700 1 278 . 1 1 68 68 ALA H H 1 8.587 0.003 . 1 . . 171 . . 68 ALA H . 27700 1 279 . 1 1 68 68 ALA C C 13 180.259 0.011 . 1 . . 457 . . 68 ALA C . 27700 1 280 . 1 1 68 68 ALA CA C 13 55.814 0.007 . 1 . . 458 . . 68 ALA CA . 27700 1 281 . 1 1 68 68 ALA CB C 13 18.193 0.025 . 1 . . 459 . . 68 ALA CB . 27700 1 282 . 1 1 68 68 ALA N N 15 120.176 0.006 . 1 . . 172 . . 68 ALA N . 27700 1 283 . 1 1 69 69 LYS H H 1 7.870 0.002 . 1 . . 197 . . 69 LYS H . 27700 1 284 . 1 1 69 69 LYS C C 13 179.148 0.003 . 1 . . 495 . . 69 LYS C . 27700 1 285 . 1 1 69 69 LYS CA C 13 58.673 0.007 . 1 . . 443 . . 69 LYS CA . 27700 1 286 . 1 1 69 69 LYS CB C 13 32.658 0.014 . 1 . . 496 . . 69 LYS CB . 27700 1 287 . 1 1 69 69 LYS N N 15 120.635 0.007 . 1 . . 198 . . 69 LYS N . 27700 1 288 . 1 1 70 70 ILE H H 1 8.531 0.004 . 1 . . 161 . . 70 ILE H . 27700 1 289 . 1 1 70 70 ILE C C 13 177.423 0.002 . 1 . . 538 . . 70 ILE C . 27700 1 290 . 1 1 70 70 ILE CA C 13 65.375 0.023 . 1 . . 430 . . 70 ILE CA . 27700 1 291 . 1 1 70 70 ILE CB C 13 38.853 0.033 . 1 . . 444 . . 70 ILE CB . 27700 1 292 . 1 1 70 70 ILE N N 15 120.331 0.071 . 1 . . 162 . . 70 ILE N . 27700 1 293 . 1 1 71 71 TYR H H 1 9.315 0.002 . 1 . . 155 . . 71 TYR H . 27700 1 294 . 1 1 71 71 TYR C C 13 175.450 0.014 . 1 . . 539 . . 71 TYR C . 27700 1 295 . 1 1 71 71 TYR CA C 13 60.726 0.036 . 1 . . 277 . . 71 TYR CA . 27700 1 296 . 1 1 71 71 TYR CB C 13 38.070 0.026 . 1 . . 431 . . 71 TYR CB . 27700 1 297 . 1 1 71 71 TYR N N 15 120.229 0.006 . 1 . . 156 . . 71 TYR N . 27700 1 298 . 1 1 72 72 THR H H 1 7.936 0.002 . 1 . . 35 . . 72 THR H . 27700 1 299 . 1 1 72 72 THR C C 13 175.274 0.016 . 1 . . 276 . . 72 THR C . 27700 1 300 . 1 1 72 72 THR CA C 13 67.134 0.008 . 1 . . 278 . . 72 THR CA . 27700 1 301 . 1 1 72 72 THR CB C 13 68.692 0.016 . 1 . . 247 . . 72 THR CB . 27700 1 302 . 1 1 72 72 THR N N 15 114.430 0.008 . 1 . . 36 . . 72 THR N . 27700 1 303 . 1 1 73 73 GLU H H 1 7.236 0.003 . 1 . . 19 . . 73 GLU H . 27700 1 304 . 1 1 73 73 GLU C C 13 178.729 0.004 . 1 . . 246 . . 73 GLU C . 27700 1 305 . 1 1 73 73 GLU CA C 13 57.289 0.005 . 1 . . 248 . . 73 GLU CA . 27700 1 306 . 1 1 73 73 GLU CB C 13 30.035 0.016 . 1 . . 449 . . 73 GLU CB . 27700 1 307 . 1 1 73 73 GLU N N 15 117.750 0.009 . 1 . . 20 . . 73 GLU N . 27700 1 308 . 1 1 74 74 ALA H H 1 9.037 0.002 . 1 . . 165 . . 74 ALA H . 27700 1 309 . 1 1 74 74 ALA C C 13 177.239 0.008 . 1 . . 448 . . 74 ALA C . 27700 1 310 . 1 1 74 74 ALA CA C 13 54.808 0.008 . 1 . . 450 . . 74 ALA CA . 27700 1 311 . 1 1 74 74 ALA CB C 13 18.712 0.012 . 1 . . 361 . . 74 ALA CB . 27700 1 312 . 1 1 74 74 ALA N N 15 125.163 0.009 . 1 . . 166 . . 74 ALA N . 27700 1 313 . 1 1 75 75 LYS H H 1 7.305 0.002 . 1 . . 95 . . 75 LYS H . 27700 1 314 . 1 1 75 75 LYS C C 13 176.019 0.006 . 1 . . 360 . . 75 LYS C . 27700 1 315 . 1 1 75 75 LYS CA C 13 56.658 0.042 . 1 . . 363 . . 75 LYS CA . 27700 1 316 . 1 1 75 75 LYS CB C 13 30.789 . . 1 . . 362 . . 75 LYS CB . 27700 1 317 . 1 1 75 75 LYS N N 15 111.411 0.01 . 1 . . 96 . . 75 LYS N . 27700 1 318 . 1 1 76 76 LYS H H 1 6.736 0.005 . 1 . . 205 . . 76 LYS H . 27700 1 319 . 1 1 76 76 LYS C C 13 177.684 0.026 . 1 . . 541 . . 76 LYS C . 27700 1 320 . 1 1 76 76 LYS CA C 13 56.934 . . 1 . . 236 . . 76 LYS CA . 27700 1 321 . 1 1 76 76 LYS CB C 13 33.375 0.049 . 1 . . 540 . . 76 LYS CB . 27700 1 322 . 1 1 76 76 LYS N N 15 117.569 0.008 . 1 . . 206 . . 76 LYS N . 27700 1 323 . 1 1 77 77 VAL H H 1 7.365 0.002 . 1 . . 13 . . 77 VAL H . 27700 1 324 . 1 1 77 77 VAL C C 13 177.183 . . 1 . . 235 . . 77 VAL C . 27700 1 325 . 1 1 77 77 VAL CA C 13 60.474 . . 1 . . 238 . . 77 VAL CA . 27700 1 326 . 1 1 77 77 VAL CB C 13 31.249 . . 1 . . 237 . . 77 VAL CB . 27700 1 327 . 1 1 77 77 VAL N N 15 120.673 0.007 . 1 . . 14 . . 77 VAL N . 27700 1 328 . 1 1 79 79 TRP C C 13 176.119 . . 1 . . 330 . . 79 TRP C . 27700 1 329 . 1 1 79 79 TRP CA C 13 53.515 . . 1 . . 333 . . 79 TRP CA . 27700 1 330 . 1 1 79 79 TRP CB C 13 29.021 . . 1 . . 332 . . 79 TRP CB . 27700 1 331 . 1 1 80 80 PHE H H 1 7.178 0.003 . 1 . . 65 . . 80 PHE H . 27700 1 332 . 1 1 80 80 PHE C C 13 175.015 0.005 . 1 . . 331 . . 80 PHE C . 27700 1 333 . 1 1 80 80 PHE CA C 13 60.410 0.0 . 1 . . 338 . . 80 PHE CA . 27700 1 334 . 1 1 80 80 PHE CB C 13 39.976 0.094 . 1 . . 334 . . 80 PHE CB . 27700 1 335 . 1 1 80 80 PHE N N 15 125.080 0.006 . 1 . . 66 . . 80 PHE N . 27700 1 336 . 1 1 81 81 ASP H H 1 7.086 0.003 . 1 . . 73 . . 81 ASP H . 27700 1 337 . 1 1 81 81 ASP C C 13 175.737 0.01 . 1 . . 542 . . 81 ASP C . 27700 1 338 . 1 1 81 81 ASP CA C 13 53.293 0.018 . 1 . . 339 . . 81 ASP CA . 27700 1 339 . 1 1 81 81 ASP CB C 13 41.099 0.007 . 1 . . 243 . . 81 ASP CB . 27700 1 340 . 1 1 81 81 ASP N N 15 127.530 0.006 . 1 . . 74 . . 81 ASP N . 27700 1 341 . 1 1 82 82 GLN H H 1 9.151 0.002 . 1 . . 17 . . 82 GLN H . 27700 1 342 . 1 1 82 82 GLN C C 13 178.358 0.002 . 1 . . 242 . . 82 GLN C . 27700 1 343 . 1 1 82 82 GLN CA C 13 58.019 0.004 . 1 . . 244 . . 82 GLN CA . 27700 1 344 . 1 1 82 82 GLN CB C 13 27.380 0.015 . 1 . . 245 . . 82 GLN CB . 27700 1 345 . 1 1 82 82 GLN N N 15 126.008 0.012 . 1 . . 18 . . 82 GLN N . 27700 1 346 . 1 1 83 83 GLN H H 1 8.278 0.009 . 1 . . 133 . . 83 GLN H . 27700 1 347 . 1 1 83 83 GLN C C 13 176.988 0.016 . 1 . . 543 . . 83 GLN C . 27700 1 348 . 1 1 83 83 GLN CA C 13 58.223 0.016 . 1 . . 406 . . 83 GLN CA . 27700 1 349 . 1 1 83 83 GLN CB C 13 29.394 . . 1 . . 514 . . 83 GLN CB . 27700 1 350 . 1 1 83 83 GLN N N 15 118.879 0.086 . 1 . . 134 . . 83 GLN N . 27700 1 351 . 1 1 84 84 ASN H H 1 8.000 0.003 . 1 . . 215 . . 84 ASN H . 27700 1 352 . 1 1 84 84 ASN C C 13 174.855 0.011 . 1 . . 513 . . 84 ASN C . 27700 1 353 . 1 1 84 84 ASN CA C 13 52.754 0.027 . 1 . . 515 . . 84 ASN CA . 27700 1 354 . 1 1 84 84 ASN CB C 13 41.387 0.001 . 1 . . 376 . . 84 ASN CB . 27700 1 355 . 1 1 84 84 ASN N N 15 115.675 0.009 . 1 . . 216 . . 84 ASN N . 27700 1 356 . 1 1 85 85 GLY H H 1 8.075 0.002 . 1 . . 109 . . 85 GLY H . 27700 1 357 . 1 1 85 85 GLY C C 13 175.140 0.007 . 1 . . 544 . . 85 GLY C . 27700 1 358 . 1 1 85 85 GLY CA C 13 48.145 0.003 . 1 . . 377 . . 85 GLY CA . 27700 1 359 . 1 1 85 85 GLY N N 15 110.000 0.008 . 1 . . 110 . . 85 GLY N . 27700 1 360 . 1 1 86 86 ARG H H 1 8.975 0.002 . 1 . . 147 . . 86 ARG H . 27700 1 361 . 1 1 86 86 ARG C C 13 178.026 0.006 . 1 . . 419 . . 86 ARG C . 27700 1 362 . 1 1 86 86 ARG CA C 13 61.024 0.012 . 1 . . 420 . . 86 ARG CA . 27700 1 363 . 1 1 86 86 ARG CB C 13 29.182 0.031 . 1 . . 421 . . 86 ARG CB . 27700 1 364 . 1 1 86 86 ARG N N 15 122.461 0.013 . 1 . . 148 . . 86 ARG N . 27700 1 365 . 1 1 87 87 THR H H 1 7.424 0.002 . 1 . . 55 . . 87 THR H . 27700 1 366 . 1 1 87 87 THR C C 13 176.084 0.011 . 1 . . 425 . . 87 THR C . 27700 1 367 . 1 1 87 87 THR CA C 13 66.614 0.026 . 1 . . 309 . . 87 THR CA . 27700 1 368 . 1 1 87 87 THR CB C 13 67.877 0.031 . 1 . . 310 . . 87 THR CB . 27700 1 369 . 1 1 87 87 THR N N 15 117.246 0.005 . 1 . . 56 . . 87 THR N . 27700 1 370 . 1 1 88 88 TYR H H 1 7.432 0.002 . 1 . . 151 . . 88 TYR H . 27700 1 371 . 1 1 88 88 TYR C C 13 180.429 0.017 . 1 . . 426 . . 88 TYR C . 27700 1 372 . 1 1 88 88 TYR CA C 13 57.842 0.015 . 1 . . 427 . . 88 TYR CA . 27700 1 373 . 1 1 88 88 TYR CB C 13 34.887 0.03 . 1 . . 428 . . 88 TYR CB . 27700 1 374 . 1 1 88 88 TYR N N 15 121.351 0.008 . 1 . . 152 . . 88 TYR N . 27700 1 375 . 1 1 89 89 LEU H H 1 8.811 0.002 . 1 . . 141 . . 89 LEU H . 27700 1 376 . 1 1 89 89 LEU C C 13 178.091 0.001 . 1 . . 486 . . 89 LEU C . 27700 1 377 . 1 1 89 89 LEU CA C 13 58.272 0.045 . 1 . . 416 . . 89 LEU CA . 27700 1 378 . 1 1 89 89 LEU CB C 13 42.189 0.011 . 1 . . 415 . . 89 LEU CB . 27700 1 379 . 1 1 89 89 LEU N N 15 121.369 0.009 . 1 . . 142 . . 89 LEU N . 27700 1 380 . 1 1 90 90 LYS H H 1 8.039 0.015 . 1 . . 193 . . 90 LYS H . 27700 1 381 . 1 1 90 90 LYS C C 13 179.232 0.007 . 1 . . 487 . . 90 LYS C . 27700 1 382 . 1 1 90 90 LYS CA C 13 60.850 0.011 . 1 . . 488 . . 90 LYS CA . 27700 1 383 . 1 1 90 90 LYS CB C 13 32.182 0.04 . 1 . . 489 . . 90 LYS CB . 27700 1 384 . 1 1 90 90 LYS N N 15 120.080 0.104 . 1 . . 194 . . 90 LYS N . 27700 1 385 . 1 1 91 91 TYR H H 1 8.249 0.006 . 1 . . 45 . . 91 TYR H . 27700 1 386 . 1 1 91 91 TYR C C 13 179.246 . . 1 . . 343 . . 91 TYR C . 27700 1 387 . 1 1 91 91 TYR CA C 13 60.494 0.047 . 1 . . 300 . . 91 TYR CA . 27700 1 388 . 1 1 91 91 TYR CB C 13 37.374 0.011 . 1 . . 299 . . 91 TYR CB . 27700 1 389 . 1 1 91 91 TYR N N 15 119.102 0.048 . 1 . . 46 . . 91 TYR N . 27700 1 390 . 1 1 92 92 SER H H 1 8.286 0.004 . 1 . . 81 . . 92 SER H . 27700 1 391 . 1 1 92 92 SER C C 13 175.648 . . 1 . . 460 . . 92 SER C . 27700 1 392 . 1 1 92 92 SER N N 15 118.674 0.128 . 1 . . 82 . . 92 SER N . 27700 1 393 . 1 1 93 93 ILE H H 1 8.543 0.002 . 1 . . 173 . . 93 ILE H . 27700 1 394 . 1 1 93 93 ILE C C 13 176.621 0.02 . 1 . . 546 . . 93 ILE C . 27700 1 395 . 1 1 93 93 ILE CA C 13 66.330 0.013 . 1 . . 545 . . 93 ILE CA . 27700 1 396 . 1 1 93 93 ILE CB C 13 37.781 0.011 . 1 . . 461 . . 93 ILE CB . 27700 1 397 . 1 1 93 93 ILE N N 15 122.179 0.014 . 1 . . 174 . . 93 ILE N . 27700 1 398 . 1 1 94 94 LYS H H 1 7.471 0.003 . 1 . . 7 . . 94 LYS H . 27700 1 399 . 1 1 94 94 LYS C C 13 179.333 0.009 . 1 . . 228 . . 94 LYS C . 27700 1 400 . 1 1 94 94 LYS CA C 13 60.025 0.006 . 1 . . 229 . . 94 LYS CA . 27700 1 401 . 1 1 94 94 LYS CB C 13 32.162 0.006 . 1 . . 230 . . 94 LYS CB . 27700 1 402 . 1 1 94 94 LYS N N 15 117.839 0.006 . 1 . . 8 . . 94 LYS N . 27700 1 403 . 1 1 95 95 ALA H H 1 7.610 0.002 . 1 . . 179 . . 95 ALA H . 27700 1 404 . 1 1 95 95 ALA C C 13 180.248 0.01 . 1 . . 469 . . 95 ALA C . 27700 1 405 . 1 1 95 95 ALA CA C 13 55.043 0.011 . 1 . . 470 . . 95 ALA CA . 27700 1 406 . 1 1 95 95 ALA CB C 13 18.087 0.023 . 1 . . 471 . . 95 ALA CB . 27700 1 407 . 1 1 95 95 ALA N N 15 122.078 0.007 . 1 . . 180 . . 95 ALA N . 27700 1 408 . 1 1 96 96 LEU H H 1 8.329 0.005 . 1 . . 177 . . 96 LEU H . 27700 1 409 . 1 1 96 96 LEU C C 13 179.957 0.002 . 1 . . 547 . . 96 LEU C . 27700 1 410 . 1 1 96 96 LEU CA C 13 56.074 0.002 . 1 . . 468 . . 96 LEU CA . 27700 1 411 . 1 1 96 96 LEU CB C 13 42.556 0.037 . 1 . . 467 . . 96 LEU CB . 27700 1 412 . 1 1 96 96 LEU N N 15 120.182 0.03 . 1 . . 178 . . 96 LEU N . 27700 1 413 . 1 1 97 97 VAL H H 1 8.455 0.015 . 1 . . 131 . . 97 VAL H . 27700 1 414 . 1 1 97 97 VAL C C 13 180.631 0.003 . 1 . . 404 . . 97 VAL C . 27700 1 415 . 1 1 97 97 VAL CA C 13 65.224 0.018 . 1 . . 482 . . 97 VAL CA . 27700 1 416 . 1 1 97 97 VAL CB C 13 32.219 0.007 . 1 . . 548 . . 97 VAL CB . 27700 1 417 . 1 1 97 97 VAL N N 15 123.078 0.011 . 1 . . 132 . . 97 VAL N . 27700 1 418 . 1 1 98 98 GLN H H 1 7.962 0.012 . 1 . . 189 . . 98 GLN H . 27700 1 419 . 1 1 98 98 GLN C C 13 177.079 . . 1 . . 549 . . 98 GLN C . 27700 1 420 . 1 1 98 98 GLN CA C 13 58.891 0.032 . 1 . . 484 . . 98 GLN CA . 27700 1 421 . 1 1 98 98 GLN CB C 13 28.249 0.006 . 1 . . 483 . . 98 GLN CB . 27700 1 422 . 1 1 98 98 GLN N N 15 121.014 0.016 . 1 . . 190 . . 98 GLN N . 27700 1 423 . 1 1 99 99 ASN H H 1 7.680 0.004 . 1 . . 43 . . 99 ASN H . 27700 1 424 . 1 1 99 99 ASN C C 13 175.256 0.009 . 1 . . 292 . . 99 ASN C . 27700 1 425 . 1 1 99 99 ASN CA C 13 51.481 0.039 . 1 . . 297 . . 99 ASN CA . 27700 1 426 . 1 1 99 99 ASN CB C 13 37.627 0.021 . 1 . . 296 . . 99 ASN CB . 27700 1 427 . 1 1 99 99 ASN N N 15 114.287 0.128 . 1 . . 44 . . 99 ASN N . 27700 1 428 . 1 1 100 100 ASP H H 1 7.809 0.003 . 1 . . 27 . . 100 ASP H . 27700 1 429 . 1 1 100 100 ASP C C 13 175.796 0.009 . 1 . . 261 . . 100 ASP C . 27700 1 430 . 1 1 100 100 ASP CA C 13 56.328 0.018 . 1 . . 262 . . 100 ASP CA . 27700 1 431 . 1 1 100 100 ASP CB C 13 39.840 0.0 . 1 . . 263 . . 100 ASP CB . 27700 1 432 . 1 1 100 100 ASP N N 15 113.505 0.008 . 1 . . 28 . . 100 ASP N . 27700 1 433 . 1 1 101 101 THR H H 1 8.807 0.002 . 1 . . 49 . . 101 THR H . 27700 1 434 . 1 1 101 101 THR C C 13 175.466 0.013 . 1 . . 301 . . 101 THR C . 27700 1 435 . 1 1 101 101 THR CA C 13 67.058 0.004 . 1 . . 302 . . 101 THR CA . 27700 1 436 . 1 1 101 101 THR CB C 13 68.180 0.009 . 1 . . 303 . . 101 THR CB . 27700 1 437 . 1 1 101 101 THR N N 15 119.040 0.009 . 1 . . 50 . . 101 THR N . 27700 1 438 . 1 1 102 102 LEU H H 1 7.724 0.003 . 1 . . 3 . . 102 LEU H . 27700 1 439 . 1 1 102 102 LEU C C 13 174.905 0.007 . 1 . . 223 . . 102 LEU C . 27700 1 440 . 1 1 102 102 LEU CA C 13 51.927 0.007 . 1 . . 221 . . 102 LEU CA . 27700 1 441 . 1 1 102 102 LEU CB C 13 45.604 0.031 . 1 . . 222 . . 102 LEU CB . 27700 1 442 . 1 1 102 102 LEU N N 15 119.956 0.009 . 1 . . 4 . . 102 LEU N . 27700 1 443 . 1 1 103 103 LEU H H 1 9.100 0.002 . 1 . . 15 . . 103 LEU H . 27700 1 444 . 1 1 103 103 LEU C C 13 175.620 0.001 . 1 . . 239 . . 103 LEU C . 27700 1 445 . 1 1 103 103 LEU CA C 13 53.343 0.024 . 1 . . 241 . . 103 LEU CA . 27700 1 446 . 1 1 103 103 LEU CB C 13 44.540 0.037 . 1 . . 240 . . 103 LEU CB . 27700 1 447 . 1 1 103 103 LEU N N 15 119.847 0.008 . 1 . . 16 . . 103 LEU N . 27700 1 448 . 1 1 104 104 GLN H H 1 8.986 0.002 . 1 . . 101 . . 104 GLN H . 27700 1 449 . 1 1 104 104 GLN C C 13 175.252 0.004 . 1 . . 366 . . 104 GLN C . 27700 1 450 . 1 1 104 104 GLN CA C 13 54.983 0.019 . 1 . . 367 . . 104 GLN CA . 27700 1 451 . 1 1 104 104 GLN CB C 13 29.306 0.035 . 1 . . 368 . . 104 GLN CB . 27700 1 452 . 1 1 104 104 GLN N N 15 125.025 0.027 . 1 . . 102 . . 104 GLN N . 27700 1 453 . 1 1 105 105 VAL H H 1 8.571 0.009 . 1 . . 91 . . 105 VAL H . 27700 1 454 . 1 1 105 105 VAL C C 13 175.633 . . 1 . . 353 . . 105 VAL C . 27700 1 455 . 1 1 105 105 VAL CA C 13 61.871 . . 1 . . 355 . . 105 VAL CA . 27700 1 456 . 1 1 105 105 VAL CB C 13 32.836 . . 1 . . 354 . . 105 VAL CB . 27700 1 457 . 1 1 105 105 VAL N N 15 127.681 0.027 . 1 . . 92 . . 105 VAL N . 27700 1 458 . 1 1 106 106 LYS C C 13 176.455 . . 1 . . 554 . . 106 LYS C . 27700 1 459 . 1 1 106 106 LYS CA C 13 57.455 . . 1 . . 556 . . 106 LYS CA . 27700 1 460 . 1 1 106 106 LYS CB C 13 31.429 1.545 . 1 . . 555 . . 106 LYS CB . 27700 1 461 . 1 1 107 107 GLY H H 1 8.378 0.007 . 1 . . 552 . . 107 GLY H . 27700 1 462 . 1 1 107 107 GLY C C 13 173.390 0.013 . 1 . . 347 . . 107 GLY C . 27700 1 463 . 1 1 107 107 GLY CA C 13 44.887 0.032 . 1 . . 349 . . 107 GLY CA . 27700 1 464 . 1 1 107 107 GLY N N 15 110.187 0.08 . 1 . . 553 . . 107 GLY N . 27700 1 465 . 1 1 108 108 THR H H 1 8.042 0.002 . 1 . . 85 . . 108 THR H . 27700 1 466 . 1 1 108 108 THR C C 13 175.255 0.008 . 1 . . 348 . . 108 THR C . 27700 1 467 . 1 1 108 108 THR CA C 13 61.313 0.015 . 1 . . 499 . . 108 THR CA . 27700 1 468 . 1 1 108 108 THR CB C 13 70.135 0.014 . 1 . . 350 . . 108 THR CB . 27700 1 469 . 1 1 108 108 THR N N 15 111.907 0.009 . 1 . . 86 . . 108 THR N . 27700 1 470 . 1 1 109 109 GLY H H 1 8.677 0.002 . 1 . . 209 . . 109 GLY H . 27700 1 471 . 1 1 109 109 GLY C C 13 174.625 0.005 . 1 . . 498 . . 109 GLY C . 27700 1 472 . 1 1 109 109 GLY CA C 13 45.692 0.003 . 1 . . 500 . . 109 GLY CA . 27700 1 473 . 1 1 109 109 GLY N N 15 112.665 0.007 . 1 . . 210 . . 109 GLY N . 27700 1 474 . 1 1 110 110 ALA H H 1 8.800 0.007 . 1 . . 41 . . 110 ALA H . 27700 1 475 . 1 1 110 110 ALA C C 13 177.682 0.007 . 1 . . 287 . . 110 ALA C . 27700 1 476 . 1 1 110 110 ALA CA C 13 53.099 0.006 . 1 . . 289 . . 110 ALA CA . 27700 1 477 . 1 1 110 110 ALA CB C 13 19.027 0.02 . 1 . . 288 . . 110 ALA CB . 27700 1 478 . 1 1 110 110 ALA N N 15 126.109 0.054 . 1 . . 42 . . 110 ALA N . 27700 1 479 . 1 1 111 111 ASN H H 1 8.124 0.002 . 1 . . 135 . . 111 ASN H . 27700 1 480 . 1 1 111 111 ASN C C 13 174.739 0.008 . 1 . . 407 . . 111 ASN C . 27700 1 481 . 1 1 111 111 ASN CA C 13 52.854 0.018 . 1 . . 409 . . 111 ASN CA . 27700 1 482 . 1 1 111 111 ASN CB C 13 39.446 0.016 . 1 . . 408 . . 111 ASN CB . 27700 1 483 . 1 1 111 111 ASN N N 15 116.337 0.007 . 1 . . 136 . . 111 ASN N . 27700 1 484 . 1 1 112 112 GLY H H 1 8.211 0.003 . 1 . . 97 . . 112 GLY H . 27700 1 485 . 1 1 112 112 GLY C C 13 172.793 0.009 . 1 . . 364 . . 112 GLY C . 27700 1 486 . 1 1 112 112 GLY CA C 13 44.814 0.017 . 1 . . 255 . . 112 GLY CA . 27700 1 487 . 1 1 112 112 GLY N N 15 108.080 0.011 . 1 . . 98 . . 112 GLY N . 27700 1 488 . 1 1 113 113 SER H H 1 7.749 0.003 . 1 . . 23 . . 113 SER H . 27700 1 489 . 1 1 113 113 SER C C 13 172.300 0.01 . 1 . . 254 . . 113 SER C . 27700 1 490 . 1 1 113 113 SER CA C 13 56.752 0.007 . 1 . . 256 . . 113 SER CA . 27700 1 491 . 1 1 113 113 SER CB C 13 65.157 0.006 . 1 . . 257 . . 113 SER CB . 27700 1 492 . 1 1 113 113 SER N N 15 114.500 0.004 . 1 . . 24 . . 113 SER N . 27700 1 493 . 1 1 114 114 PHE H H 1 8.410 0.003 . 1 . . 1 . . 114 PHE H . 27700 1 494 . 1 1 114 114 PHE C C 13 174.086 . . 1 . . 474 . . 114 PHE C . 27700 1 495 . 1 1 114 114 PHE CA C 13 57.624 0.019 . 1 . . 219 . . 114 PHE CA . 27700 1 496 . 1 1 114 114 PHE CB C 13 42.954 0.027 . 1 . . 220 . . 114 PHE CB . 27700 1 497 . 1 1 114 114 PHE N N 15 120.009 0.021 . 1 . . 2 . . 114 PHE N . 27700 1 498 . 1 1 115 115 LYS H H 1 8.834 0.002 . 1 . . 185 . . 115 LYS H . 27700 1 499 . 1 1 115 115 LYS C C 13 175.626 0.008 . 1 . . 475 . . 115 LYS C . 27700 1 500 . 1 1 115 115 LYS CA C 13 53.409 0.009 . 1 . . 476 . . 115 LYS CA . 27700 1 501 . 1 1 115 115 LYS CB C 13 37.422 0.014 . 1 . . 477 . . 115 LYS CB . 27700 1 502 . 1 1 115 115 LYS N N 15 119.997 0.009 . 1 . . 186 . . 115 LYS N . 27700 1 503 . 1 1 116 116 LEU H H 1 9.085 0.002 . 1 . . 163 . . 116 LEU H . 27700 1 504 . 1 1 116 116 LEU C C 13 177.173 0.011 . 1 . . 445 . . 116 LEU C . 27700 1 505 . 1 1 116 116 LEU CA C 13 56.131 . . 1 . . 446 . . 116 LEU CA . 27700 1 506 . 1 1 116 116 LEU CB C 13 41.416 . . 1 . . 447 . . 116 LEU CB . 27700 1 507 . 1 1 116 116 LEU N N 15 122.305 0.009 . 1 . . 164 . . 116 LEU N . 27700 1 508 . 1 1 117 117 ASN H H 1 8.188 0.003 . 1 . . 107 . . 117 ASN H . 27700 1 509 . 1 1 117 117 ASN C C 13 174.778 0.006 . 1 . . 371 . . 117 ASN C . 27700 1 510 . 1 1 117 117 ASN CA C 13 54.751 . . 1 . . 375 . . 117 ASN CA . 27700 1 511 . 1 1 117 117 ASN N N 15 121.954 0.009 . 1 . . 108 . . 117 ASN N . 27700 1 512 . 1 1 118 118 ARG H H 1 8.094 0.002 . 1 . . 67 . . 118 ARG H . 27700 1 513 . 1 1 118 118 ARG C C 13 174.792 0.008 . 1 . . 559 . . 118 ARG C . 27700 1 514 . 1 1 118 118 ARG CA C 13 55.630 0.006 . 1 . . 323 . . 118 ARG CA . 27700 1 515 . 1 1 118 118 ARG CB C 13 30.997 0.006 . 1 . . 324 . . 118 ARG CB . 27700 1 516 . 1 1 118 118 ARG N N 15 123.841 0.009 . 1 . . 68 . . 118 ARG N . 27700 1 517 . 1 1 119 119 LYS H H 1 8.078 0.002 . 1 . . 169 . . 119 LYS H . 27700 1 518 . 1 1 119 119 LYS C C 13 181.479 . . 1 . . 454 . . 119 LYS C . 27700 1 519 . 1 1 119 119 LYS CA C 13 57.825 . . 1 . . 456 . . 119 LYS CA . 27700 1 520 . 1 1 119 119 LYS CB C 13 33.457 . . 1 . . 455 . . 119 LYS CB . 27700 1 521 . 1 1 119 119 LYS N N 15 128.919 0.003 . 1 . . 170 . . 119 LYS N . 27700 1 stop_ save_