################################### # 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_0_m_urea_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode 0_m_urea_shifts _Assigned_chem_shift_list.Entry_ID 17513 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Normal _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 '3D CBCA(CO)NH' 1 $0.5mM isotropic 17513 1 2 '2D 1H-15N HSQC/HMQC' 1 $0.5mM isotropic 17513 1 3 '3D HNCA' 1 $0.5mM isotropic 17513 1 4 'HNCACO (H[N[ca[CO]]])' 1 $0.5mM isotropic 17513 1 5 '3D HNCO' 1 $0.5mM isotropic 17513 1 6 '3D HNCACB' 1 $0.5mM isotropic 17513 1 7 'Expt_10 (h[N]_H[N].NOESY)' 1 $0.5mM isotropic 17513 1 8 'Expt_12 (H{[N]+[HA]})' 1 $0.5mM isotropic 17513 1 9 'Expt_13 (h[N]_H.NOESY)' 1 $0.5mM isotropic 17513 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.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 9 9 GLU H H 1 8.600 0.006 . 1 . 386 . . 9 GLU H . 17513 1 2 . 1 1 9 9 GLU HA H 1 4.236 . . 1 . 431 . . 9 GLU HA . 17513 1 3 . 1 1 9 9 GLU C C 13 176.314 0.01 . 1 . 383 . . 9 GLU C . 17513 1 4 . 1 1 9 9 GLU CA C 13 56.396 0.006 . 1 . 384 . . 9 GLU CA . 17513 1 5 . 1 1 9 9 GLU CB C 13 30.117 . . 1 . 385 . . 9 GLU CB . 17513 1 6 . 1 1 9 9 GLU N N 15 122.405 0.058 . 1 . 387 . . 9 GLU N . 17513 1 7 . 1 1 10 10 LEU H H 1 8.442 0.009 . 1 . 381 . . 10 LEU H . 17513 1 8 . 1 1 10 10 LEU HA H 1 4.317 . . 1 . 419 . . 10 LEU HA . 17513 1 9 . 1 1 10 10 LEU C C 13 177.416 0.03 . 1 . 380 . . 10 LEU C . 17513 1 10 . 1 1 10 10 LEU CA C 13 55.123 0.017 . 1 . 377 . . 10 LEU CA . 17513 1 11 . 1 1 10 10 LEU CB C 13 42.006 . . 1 . 379 . . 10 LEU CB . 17513 1 12 . 1 1 10 10 LEU N N 15 123.833 0.063 . 1 . 382 . . 10 LEU N . 17513 1 13 . 1 1 11 11 LYS H H 1 8.436 0.011 . 1 . 374 . . 11 LYS H . 17513 1 14 . 1 1 11 11 LYS C C 13 176.308 0.002 . 1 . 337 . . 11 LYS C . 17513 1 15 . 1 1 11 11 LYS CA C 13 56.409 0.032 . 1 . 335 . . 11 LYS CA . 17513 1 16 . 1 1 11 11 LYS CB C 13 32.832 . . 1 . 336 . . 11 LYS CB . 17513 1 17 . 1 1 11 11 LYS N N 15 122.340 0.041 . 1 . 375 . . 11 LYS N . 17513 1 18 . 1 1 12 12 ASN H H 1 8.536 0.01 . 1 . 152 . . 12 ASN H . 17513 1 19 . 1 1 12 12 ASN HA H 1 4.710 . . 1 . 463 . . 12 ASN HA . 17513 1 20 . 1 1 12 12 ASN C C 13 175.139 0.005 . 1 . 304 . . 12 ASN C . 17513 1 21 . 1 1 12 12 ASN CA C 13 53.232 0.053 . 1 . 184 . . 12 ASN CA . 17513 1 22 . 1 1 12 12 ASN CB C 13 38.820 . . 1 . 185 . . 12 ASN CB . 17513 1 23 . 1 1 12 12 ASN N N 15 119.717 0.101 . 1 . 153 . . 12 ASN N . 17513 1 24 . 1 1 13 13 SER H H 1 8.371 0.012 . 1 . 182 . . 13 SER H . 17513 1 25 . 1 1 13 13 SER HA H 1 4.457 . . 1 . 471 . . 13 SER HA . 17513 1 26 . 1 1 13 13 SER C C 13 174.581 0.001 . 1 . 291 . . 13 SER C . 17513 1 27 . 1 1 13 13 SER CA C 13 58.385 0.039 . 1 . 326 . . 13 SER CA . 17513 1 28 . 1 1 13 13 SER CB C 13 63.684 . . 1 . 221 . . 13 SER CB . 17513 1 29 . 1 1 13 13 SER N N 15 116.289 0.042 . 1 . 183 . . 13 SER N . 17513 1 30 . 1 1 14 14 ILE H H 1 8.290 0.011 . 1 . 214 . . 14 ILE H . 17513 1 31 . 1 1 14 14 ILE HA H 1 4.186 . . 1 . 434 . . 14 ILE HA . 17513 1 32 . 1 1 14 14 ILE C C 13 176.454 0.013 . 1 . 265 . . 14 ILE C . 17513 1 33 . 1 1 14 14 ILE CA C 13 61.415 0.024 . 1 . 163 . . 14 ILE CA . 17513 1 34 . 1 1 14 14 ILE CB C 13 38.506 . . 1 . 164 . . 14 ILE CB . 17513 1 35 . 1 1 14 14 ILE N N 15 122.450 0.025 . 1 . 215 . . 14 ILE N . 17513 1 36 . 1 1 15 15 SER H H 1 8.376 0.013 . 1 . 161 . . 15 SER H . 17513 1 37 . 1 1 15 15 SER HA H 1 4.401 . . 1 . 465 . . 15 SER HA . 17513 1 38 . 1 1 15 15 SER C C 13 174.094 0.007 . 1 . 289 . . 15 SER C . 17513 1 39 . 1 1 15 15 SER CA C 13 58.468 0.04 . 1 . 323 . . 15 SER CA . 17513 1 40 . 1 1 15 15 SER CB C 13 63.834 . . 1 . 86 . . 15 SER CB . 17513 1 41 . 1 1 15 15 SER N N 15 119.277 0.057 . 1 . 162 . . 15 SER N . 17513 1 42 . 1 1 16 16 ASP H H 1 8.305 0.01 . 1 . 84 . . 16 ASP H . 17513 1 43 . 1 1 16 16 ASP HA H 1 4.576 . . 1 . 435 . . 16 ASP HA . 17513 1 44 . 1 1 16 16 ASP C C 13 175.882 0.03 . 1 . 260 . . 16 ASP C . 17513 1 45 . 1 1 16 16 ASP CA C 13 54.351 0.04 . 1 . 319 . . 16 ASP CA . 17513 1 46 . 1 1 16 16 ASP CB C 13 41.165 . . 1 . 217 . . 16 ASP CB . 17513 1 47 . 1 1 16 16 ASP N N 15 122.341 0.062 . 1 . 85 . . 16 ASP N . 17513 1 48 . 1 1 17 17 TYR H H 1 8.139 0.013 . 1 . 283 . . 17 TYR H . 17513 1 49 . 1 1 17 17 TYR HA H 1 4.584 . . 1 . 458 . . 17 TYR HA . 17513 1 50 . 1 1 17 17 TYR C C 13 176.090 0.014 . 1 . 285 . . 17 TYR C . 17513 1 51 . 1 1 17 17 TYR CA C 13 58.014 0.012 . 1 . 176 . . 17 TYR CA . 17513 1 52 . 1 1 17 17 TYR CB C 13 38.599 . . 1 . 180 . . 17 TYR CB . 17513 1 53 . 1 1 17 17 TYR N N 15 120.742 0.075 . 1 . 284 . . 17 TYR N . 17513 1 54 . 1 1 18 18 THR H H 1 8.195 0.013 . 1 . 174 . . 18 THR H . 17513 1 55 . 1 1 18 18 THR C C 13 174.391 0.003 . 1 . 253 . . 18 THR C . 17513 1 56 . 1 1 18 18 THR CA C 13 61.884 0.02 . 1 . 47 . . 18 THR CA . 17513 1 57 . 1 1 18 18 THR CB C 13 70.053 . . 1 . 46 . . 18 THR CB . 17513 1 58 . 1 1 18 18 THR N N 15 116.751 0.015 . 1 . 175 . . 18 THR N . 17513 1 59 . 1 1 19 19 GLU H H 1 8.471 0.011 . 1 . 44 . . 19 GLU H . 17513 1 60 . 1 1 19 19 GLU HA H 1 4.178 . . 1 . 422 . . 19 GLU HA . 17513 1 61 . 1 1 19 19 GLU C C 13 176.650 0.007 . 1 . 247 . . 19 GLU C . 17513 1 62 . 1 1 19 19 GLU CA C 13 57.198 0.044 . 1 . 310 . . 19 GLU CA . 17513 1 63 . 1 1 19 19 GLU CB C 13 29.929 . . 1 . 29 . . 19 GLU CB . 17513 1 64 . 1 1 19 19 GLU N N 15 123.380 0.106 . 1 . 45 . . 19 GLU N . 17513 1 65 . 1 1 20 20 ALA H H 1 8.343 0.012 . 1 . 27 . . 20 ALA H . 17513 1 66 . 1 1 20 20 ALA HA H 1 4.196 . . 1 . 415 . . 20 ALA HA . 17513 1 67 . 1 1 20 20 ALA C C 13 178.366 0.001 . 1 . 246 . . 20 ALA C . 17513 1 68 . 1 1 20 20 ALA CA C 13 53.224 0.04 . 1 . 401 . . 20 ALA CA . 17513 1 69 . 1 1 20 20 ALA CB C 13 19.193 . . 1 . 156 . . 20 ALA CB . 17513 1 70 . 1 1 20 20 ALA N N 15 124.160 0.058 . 1 . 28 . . 20 ALA N . 17513 1 71 . 1 1 21 21 GLU H H 1 8.308 0.011 . 1 . 154 . . 21 GLU H . 17513 1 72 . 1 1 21 21 GLU C C 13 176.804 0.012 . 1 . 277 . . 21 GLU C . 17513 1 73 . 1 1 21 21 GLU CA C 13 57.148 0.03 . 1 . 116 . . 21 GLU CA . 17513 1 74 . 1 1 21 21 GLU CB C 13 30.016 . . 1 . 232 . . 21 GLU CB . 17513 1 75 . 1 1 21 21 GLU N N 15 119.592 0.111 . 1 . 155 . . 21 GLU N . 17513 1 76 . 1 1 22 22 PHE H H 1 8.249 0.013 . 1 . 114 . . 22 PHE H . 17513 1 77 . 1 1 22 22 PHE HA H 1 4.507 . . 1 . 448 . . 22 PHE HA . 17513 1 78 . 1 1 22 22 PHE C C 13 175.992 0.004 . 1 . 276 . . 22 PHE C . 17513 1 79 . 1 1 22 22 PHE CA C 13 58.440 0.01 . 1 . 58 . . 22 PHE CA . 17513 1 80 . 1 1 22 22 PHE CB C 13 39.055 . . 1 . 231 . . 22 PHE CB . 17513 1 81 . 1 1 22 22 PHE N N 15 121.382 0.085 . 1 . 115 . . 22 PHE N . 17513 1 82 . 1 1 23 23 VAL H H 1 8.062 0.011 . 1 . 56 . . 23 VAL H . 17513 1 83 . 1 1 23 23 VAL HA H 1 3.896 . . 1 . 428 . . 23 VAL HA . 17513 1 84 . 1 1 23 23 VAL C C 13 176.200 0.002 . 1 . 255 . . 23 VAL C . 17513 1 85 . 1 1 23 23 VAL CA C 13 62.967 0.015 . 1 . 39 . . 23 VAL CA . 17513 1 86 . 1 1 23 23 VAL CB C 13 32.659 . . 1 . 40 . . 23 VAL CB . 17513 1 87 . 1 1 23 23 VAL N N 15 123.114 0.054 . 1 . 57 . . 23 VAL N . 17513 1 88 . 1 1 24 24 GLN H H 1 8.337 0.015 . 1 . 37 . . 24 GLN H . 17513 1 89 . 1 1 24 24 GLN HA H 1 4.154 . . 1 . 418 . . 24 GLN HA . 17513 1 90 . 1 1 24 24 GLN C C 13 176.068 0.013 . 1 . 235 . . 24 GLN C . 17513 1 91 . 1 1 24 24 GLN CA C 13 56.251 0.014 . 1 . 9 . . 24 GLN CA . 17513 1 92 . 1 1 24 24 GLN N N 15 123.761 0.055 . 1 . 38 . . 24 GLN N . 17513 1 93 . 1 1 25 25 ALA H H 1 8.366 0.013 . 1 . 7 . . 25 ALA H . 17513 1 94 . 1 1 25 25 ALA HA H 1 4.214 . . 1 . 406 . . 25 ALA HA . 17513 1 95 . 1 1 25 25 ALA C C 13 177.950 0.012 . 1 . 234 . . 25 ALA C . 17513 1 96 . 1 1 25 25 ALA CA C 13 52.708 . . 1 . 307 . . 25 ALA CA . 17513 1 97 . 1 1 25 25 ALA N N 15 125.474 0.055 . 1 . 8 . . 25 ALA N . 17513 1 98 . 1 1 26 26 ALA H H 1 8.267 0.013 . 1 . 63 . . 26 ALA H . 17513 1 99 . 1 1 26 26 ALA HA H 1 4.194 . . 1 . 427 . . 26 ALA HA . 17513 1 100 . 1 1 26 26 ALA C C 13 178.229 0.004 . 1 . 257 . . 26 ALA C . 17513 1 101 . 1 1 26 26 ALA CA C 13 52.767 0.006 . 1 . 65 . . 26 ALA CA . 17513 1 102 . 1 1 26 26 ALA CB C 13 18.807 0.047 . 1 . 66 . . 26 ALA CB . 17513 1 103 . 1 1 26 26 ALA N N 15 123.199 0.097 . 1 . 64 . . 26 ALA N . 17513 1 104 . 1 1 27 27 LYS H H 1 8.239 0.014 . 1 . 143 . . 27 LYS H . 17513 1 105 . 1 1 27 27 LYS C C 13 177.036 0.017 . 1 . 287 . . 27 LYS C . 17513 1 106 . 1 1 27 27 LYS CA C 13 56.641 0.04 . 1 . 321 . . 27 LYS CA . 17513 1 107 . 1 1 27 27 LYS CB C 13 32.950 . . 1 . 98 . . 27 LYS CB . 17513 1 108 . 1 1 27 27 LYS N N 15 120.463 0.014 . 1 . 144 . . 27 LYS N . 17513 1 109 . 1 1 28 28 GLU H H 1 8.385 0.012 . 1 . 96 . . 28 GLU H . 17513 1 110 . 1 1 28 28 GLU C C 13 176.770 0.001 . 1 . 268 . . 28 GLU C . 17513 1 111 . 1 1 28 28 GLU CA C 13 56.685 0.047 . 1 . 93 . . 28 GLU CA . 17513 1 112 . 1 1 28 28 GLU CB C 13 29.939 . . 1 . 94 . . 28 GLU CB . 17513 1 113 . 1 1 28 28 GLU N N 15 122.019 0.079 . 1 . 97 . . 28 GLU N . 17513 1 114 . 1 1 29 29 ILE H H 1 8.169 0.015 . 1 . 91 . . 29 ILE H . 17513 1 115 . 1 1 29 29 ILE HA H 1 4.073 . . 1 . 443 . . 29 ILE HA . 17513 1 116 . 1 1 29 29 ILE C C 13 176.519 0.0 . 1 . 267 . . 29 ILE C . 17513 1 117 . 1 1 29 29 ILE CA C 13 61.447 0.035 . 1 . 12 . . 29 ILE CA . 17513 1 118 . 1 1 29 29 ILE CB C 13 38.542 . . 1 . 13 . . 29 ILE CB . 17513 1 119 . 1 1 29 29 ILE N N 15 121.944 0.04 . 1 . 92 . . 29 ILE N . 17513 1 120 . 1 1 30 30 GLU H H 1 8.453 0.014 . 1 . 10 . . 30 GLU H . 17513 1 121 . 1 1 30 30 GLU HA H 1 4.236 . . 1 . 409 . . 30 GLU HA . 17513 1 122 . 1 1 30 30 GLU C C 13 176.606 0.01 . 1 . 239 . . 30 GLU C . 17513 1 123 . 1 1 30 30 GLU CA C 13 56.789 0.005 . 1 . 69 . . 30 GLU CA . 17513 1 124 . 1 1 30 30 GLU CB C 13 29.960 . . 1 . 70 . . 30 GLU CB . 17513 1 125 . 1 1 30 30 GLU N N 15 124.928 0.047 . 1 . 11 . . 30 GLU N . 17513 1 126 . 1 1 31 31 LYS H H 1 8.356 0.012 . 1 . 67 . . 31 LYS H . 17513 1 127 . 1 1 31 31 LYS HA H 1 4.245 . . 1 . 433 . . 31 LYS HA . 17513 1 128 . 1 1 31 31 LYS C C 13 176.682 0.03 . 1 . 258 . . 31 LYS C . 17513 1 129 . 1 1 31 31 LYS N N 15 122.536 0.097 . 1 . 68 . . 31 LYS N . 17513 1 130 . 1 1 32 32 GLU H H 1 8.465 0.014 . 1 . 108 . . 32 GLU H . 17513 1 131 . 1 1 32 32 GLU HA H 1 4.227 . . 1 . 441 . . 32 GLU HA . 17513 1 132 . 1 1 32 32 GLU C C 13 176.274 0.019 . 1 . 273 . . 32 GLU C . 17513 1 133 . 1 1 32 32 GLU CA C 13 56.740 0.062 . 1 . 147 . . 32 GLU CA . 17513 1 134 . 1 1 32 32 GLU CB C 13 30.177 . . 1 . 220 . . 32 GLU CB . 17513 1 135 . 1 1 32 32 GLU N N 15 121.703 0.079 . 1 . 109 . . 32 GLU N . 17513 1 136 . 1 1 33 33 ASN H H 1 8.571 0.014 . 1 . 145 . . 33 ASN H . 17513 1 137 . 1 1 33 33 ASN HA H 1 4.709 . . 1 . 461 . . 33 ASN HA . 17513 1 138 . 1 1 33 33 ASN C C 13 175.114 0.001 . 1 . 305 . . 33 ASN C . 17513 1 139 . 1 1 33 33 ASN CA C 13 53.145 0.048 . 1 . 121 . . 33 ASN CA . 17513 1 140 . 1 1 33 33 ASN CB C 13 38.809 0.079 . 1 . 122 . . 33 ASN CB . 17513 1 141 . 1 1 33 33 ASN N N 15 120.342 0.107 . 1 . 146 . . 33 ASN N . 17513 1 142 . 1 1 34 34 VAL H H 1 8.171 0.016 . 1 . 119 . . 34 VAL H . 17513 1 143 . 1 1 34 34 VAL HA H 1 4.083 . . 1 . 449 . . 34 VAL HA . 17513 1 144 . 1 1 34 34 VAL C C 13 175.814 0.0 . 1 . 278 . . 34 VAL C . 17513 1 145 . 1 1 34 34 VAL CA C 13 62.224 0.013 . 1 . 327 . . 34 VAL CA . 17513 1 146 . 1 1 34 34 VAL CB C 13 32.657 . . 1 . 3 . . 34 VAL CB . 17513 1 147 . 1 1 34 34 VAL N N 15 121.141 0.042 . 1 . 120 . . 34 VAL N . 17513 1 148 . 1 1 35 35 ALA H H 1 8.451 0.013 . 1 . 1 . . 35 ALA H . 17513 1 149 . 1 1 35 35 ALA HA H 1 4.303 . . 1 . 402 . . 35 ALA HA . 17513 1 150 . 1 1 35 35 ALA C C 13 177.449 0.004 . 1 . 233 . . 35 ALA C . 17513 1 151 . 1 1 35 35 ALA CA C 13 52.331 0.064 . 1 . 306 . . 35 ALA CA . 17513 1 152 . 1 1 35 35 ALA N N 15 128.055 0.084 . 1 . 2 . . 35 ALA N . 17513 1 153 . 1 1 36 36 ALA H H 1 8.419 0.014 . 1 . 34 . . 36 ALA H . 17513 1 154 . 1 1 36 36 ALA HA H 1 4.352 . . 1 . 416 . . 36 ALA HA . 17513 1 155 . 1 1 36 36 ALA C C 13 178.028 0.007 . 1 . 294 . . 36 ALA C . 17513 1 156 . 1 1 36 36 ALA CB C 13 19.188 0.021 . 1 . 36 . . 36 ALA CB . 17513 1 157 . 1 1 36 36 ALA N N 15 124.143 0.078 . 1 . 35 . . 36 ALA N . 17513 1 158 . 1 1 37 37 THR H H 1 8.211 0.014 . 1 . 193 . . 37 THR H . 17513 1 159 . 1 1 37 37 THR HA H 1 4.340 . . 1 . 474 . . 37 THR HA . 17513 1 160 . 1 1 37 37 THR C C 13 174.391 0.005 . 1 . 261 . . 37 THR C . 17513 1 161 . 1 1 37 37 THR CA C 13 61.473 0.009 . 1 . 312 . . 37 THR CA . 17513 1 162 . 1 1 37 37 THR CB C 13 69.818 . . 1 . 73 . . 37 THR CB . 17513 1 163 . 1 1 37 37 THR N N 15 113.061 0.039 . 1 . 194 . . 37 THR N . 17513 1 164 . 1 1 38 38 ASP H H 1 8.381 0.016 . 1 . 71 . . 38 ASP H . 17513 1 165 . 1 1 38 38 ASP HA H 1 4.596 . . 1 . 437 . . 38 ASP HA . 17513 1 166 . 1 1 38 38 ASP C C 13 175.884 0.003 . 1 . 259 . . 38 ASP C . 17513 1 167 . 1 1 38 38 ASP CA C 13 54.327 0.09 . 1 . 166 . . 38 ASP CA . 17513 1 168 . 1 1 38 38 ASP CB C 13 41.067 . . 1 . 126 . . 38 ASP CB . 17513 1 169 . 1 1 38 38 ASP N N 15 122.307 0.079 . 1 . 72 . . 38 ASP N . 17513 1 170 . 1 1 39 39 ASP H H 1 8.353 0.015 . 1 . 123 . . 39 ASP H . 17513 1 171 . 1 1 39 39 ASP HA H 1 4.574 . . 1 . 453 . . 39 ASP HA . 17513 1 172 . 1 1 39 39 ASP C C 13 176.185 0.002 . 1 . 299 . . 39 ASP C . 17513 1 173 . 1 1 39 39 ASP CA C 13 54.327 0.04 . 1 . 125 . . 39 ASP CA . 17513 1 174 . 1 1 39 39 ASP CB C 13 41.018 . . 1 . 136 . . 39 ASP CB . 17513 1 175 . 1 1 39 39 ASP N N 15 120.978 0.046 . 1 . 124 . . 39 ASP N . 17513 1 176 . 1 1 40 40 VAL H H 1 8.134 0.016 . 1 . 134 . . 40 VAL H . 17513 1 177 . 1 1 40 40 VAL HA H 1 4.045 . . 1 . 459 . . 40 VAL HA . 17513 1 178 . 1 1 40 40 VAL C C 13 176.235 0.025 . 1 . 237 . . 40 VAL C . 17513 1 179 . 1 1 40 40 VAL CA C 13 62.446 0.01 . 1 . 228 . . 40 VAL CA . 17513 1 180 . 1 1 40 40 VAL N N 15 120.634 0.065 . 1 . 135 . . 40 VAL N . 17513 1 181 . 1 1 41 41 LEU H H 1 8.376 0.013 . 1 . 226 . . 41 LEU H . 17513 1 182 . 1 1 41 41 LEU HA H 1 4.312 . . 1 . 404 . . 41 LEU HA . 17513 1 183 . 1 1 41 41 LEU C C 13 177.008 0.03 . 1 . 236 . . 41 LEU C . 17513 1 184 . 1 1 41 41 LEU CA C 13 55.036 0.007 . 1 . 308 . . 41 LEU CA . 17513 1 185 . 1 1 41 41 LEU CB C 13 42.296 . . 1 . 347 . . 41 LEU CB . 17513 1 186 . 1 1 41 41 LEU N N 15 125.931 0.034 . 1 . 227 . . 41 LEU N . 17513 1 187 . 1 1 42 42 ASP H H 1 8.391 0.0 . 1 . 333 . . 42 ASP H . 17513 1 188 . 1 1 42 42 ASP C C 13 176.393 0.002 . 1 . 352 . . 42 ASP C . 17513 1 189 . 1 1 42 42 ASP CA C 13 54.266 0.015 . 1 . 349 . . 42 ASP CA . 17513 1 190 . 1 1 42 42 ASP CB C 13 40.951 . . 1 . 348 . . 42 ASP CB . 17513 1 191 . 1 1 42 42 ASP N N 15 122.219 0.012 . 1 . 334 . . 42 ASP N . 17513 1 192 . 1 1 43 43 VAL H H 1 8.087 0.012 . 1 . 280 . . 43 VAL H . 17513 1 193 . 1 1 43 43 VAL HA H 1 4.042 . . 1 . 456 . . 43 VAL HA . 17513 1 194 . 1 1 43 43 VAL C C 13 176.069 0.002 . 1 . 353 . . 43 VAL C . 17513 1 195 . 1 1 43 43 VAL CA C 13 62.441 0.004 . 1 . 350 . . 43 VAL CA . 17513 1 196 . 1 1 43 43 VAL CB C 13 32.342 . . 1 . 358 . . 43 VAL CB . 17513 1 197 . 1 1 43 43 VAL N N 15 120.896 0.079 . 1 . 281 . . 43 VAL N . 17513 1 198 . 1 1 44 44 ALA H H 1 8.404 0.013 . 1 . 354 . . 44 ALA H . 17513 1 199 . 1 1 44 44 ALA HA H 1 4.275 . . 1 . 403 . . 44 ALA HA . 17513 1 200 . 1 1 44 44 ALA C C 13 177.980 0.001 . 1 . 356 . . 44 ALA C . 17513 1 201 . 1 1 44 44 ALA CA C 13 52.648 0.007 . 1 . 357 . . 44 ALA CA . 17513 1 202 . 1 1 44 44 ALA CB C 13 18.837 . . 1 . 362 . . 44 ALA CB . 17513 1 203 . 1 1 44 44 ALA N N 15 126.862 0.076 . 1 . 355 . . 44 ALA N . 17513 1 204 . 1 1 45 45 LEU H H 1 8.145 0.01 . 1 . 359 . . 45 LEU H . 17513 1 205 . 1 1 45 45 LEU HA H 1 4.585 . . 1 . 450 . . 45 LEU HA . 17513 1 206 . 1 1 45 45 LEU C C 13 177.601 0.009 . 1 . 363 . . 45 LEU C . 17513 1 207 . 1 1 45 45 LEU CA C 13 55.244 0.059 . 1 . 361 . . 45 LEU CA . 17513 1 208 . 1 1 45 45 LEU CB C 13 42.056 . . 1 . 365 . . 45 LEU CB . 17513 1 209 . 1 1 45 45 LEU N N 15 121.119 0.058 . 1 . 360 . . 45 LEU N . 17513 1 210 . 1 1 46 46 GLU H H 1 8.306 0.017 . 1 . 315 . . 46 GLU H . 17513 1 211 . 1 1 46 46 GLU HA H 1 4.133 . . 1 . 454 . . 46 GLU HA . 17513 1 212 . 1 1 46 46 GLU C C 13 176.191 0.004 . 1 . 364 . . 46 GLU C . 17513 1 213 . 1 1 46 46 GLU CA C 13 56.775 0.004 . 1 . 366 . . 46 GLU CA . 17513 1 214 . 1 1 46 46 GLU CB C 13 30.033 . . 1 . 367 . . 46 GLU CB . 17513 1 215 . 1 1 46 46 GLU N N 15 120.863 0.055 . 1 . 316 . . 46 GLU N . 17513 1 216 . 1 1 47 47 HIS H H 1 8.307 0.013 . 1 . 218 . . 47 HIS H . 17513 1 217 . 1 1 47 47 HIS HA H 1 4.113 . . 1 . 464 . . 47 HIS HA . 17513 1 218 . 1 1 47 47 HIS C C 13 174.491 0.03 . 1 . 368 . . 47 HIS C . 17513 1 219 . 1 1 47 47 HIS N N 15 119.540 0.103 . 1 . 219 . . 47 HIS N . 17513 1 220 . 1 1 48 48 PHE H H 1 8.214 0.009 . 1 . 103 . . 48 PHE H . 17513 1 221 . 1 1 48 48 PHE C C 13 175.343 0.003 . 1 . 270 . . 48 PHE C . 17513 1 222 . 1 1 48 48 PHE CA C 13 57.883 0.018 . 1 . 54 . . 48 PHE CA . 17513 1 223 . 1 1 48 48 PHE CB C 13 39.600 . . 1 . 55 . . 48 PHE CB . 17513 1 224 . 1 1 48 48 PHE N N 15 121.808 0.026 . 1 . 104 . . 48 PHE N . 17513 1 225 . 1 1 49 49 VAL H H 1 8.109 0.011 . 1 . 52 . . 49 VAL H . 17513 1 226 . 1 1 49 49 VAL HA H 1 3.967 . . 1 . 424 . . 49 VAL HA . 17513 1 227 . 1 1 49 49 VAL C C 13 175.297 0.009 . 1 . 238 . . 49 VAL C . 17513 1 228 . 1 1 49 49 VAL CA C 13 62.132 . . 1 . 6 . . 49 VAL CA . 17513 1 229 . 1 1 49 49 VAL CB C 13 32.816 . . 1 . 229 . . 49 VAL CB . 17513 1 230 . 1 1 49 49 VAL N N 15 123.363 0.086 . 1 . 53 . . 49 VAL N . 17513 1 231 . 1 1 50 50 LYS H H 1 8.384 0.017 . 1 . 4 . . 50 LYS H . 17513 1 232 . 1 1 50 50 LYS HA H 1 4.312 . . 1 . 405 . . 50 LYS HA . 17513 1 233 . 1 1 50 50 LYS C C 13 176.389 0.03 . 1 . 332 . . 50 LYS C . 17513 1 234 . 1 1 50 50 LYS CA C 13 56.308 0.04 . 1 . 43 . . 50 LYS CA . 17513 1 235 . 1 1 50 50 LYS CB C 13 33.015 0.028 . 1 . 216 . . 50 LYS CB . 17513 1 236 . 1 1 50 50 LYS N N 15 125.913 0.018 . 1 . 5 . . 50 LYS N . 17513 1 237 . 1 1 51 51 ILE H H 1 8.415 0.013 . 1 . 41 . . 51 ILE H . 17513 1 238 . 1 1 51 51 ILE HA H 1 4.204 . . 1 . 417 . . 51 ILE HA . 17513 1 239 . 1 1 51 51 ILE C C 13 176.387 0.002 . 1 . 249 . . 51 ILE C . 17513 1 240 . 1 1 51 51 ILE CA C 13 61.066 0.008 . 1 . 159 . . 51 ILE CA . 17513 1 241 . 1 1 51 51 ILE CB C 13 38.523 . . 1 . 160 . . 51 ILE CB . 17513 1 242 . 1 1 51 51 ILE N N 15 123.825 0.077 . 1 . 42 . . 51 ILE N . 17513 1 243 . 1 1 52 52 THR H H 1 8.301 0.012 . 1 . 157 . . 52 THR H . 17513 1 244 . 1 1 52 52 THR HA H 1 4.289 . . 1 . 468 . . 52 THR HA . 17513 1 245 . 1 1 52 52 THR C C 13 174.052 0.001 . 1 . 303 . . 52 THR C . 17513 1 246 . 1 1 52 52 THR CA C 13 61.744 0.012 . 1 . 322 . . 52 THR CA . 17513 1 247 . 1 1 52 52 THR CB C 13 69.676 . . 1 . 346 . . 52 THR CB . 17513 1 248 . 1 1 52 52 THR N N 15 119.105 0.056 . 1 . 158 . . 52 THR N . 17513 1 249 . 1 1 53 53 GLU H H 1 8.422 0.011 . 1 . 250 . . 53 GLU H . 17513 1 250 . 1 1 53 53 GLU HA H 1 4.191 . . 1 . 421 . . 53 GLU HA . 17513 1 251 . 1 1 53 53 GLU C C 13 175.675 0.011 . 1 . 252 . . 53 GLU C . 17513 1 252 . 1 1 53 53 GLU CA C 13 56.167 0.04 . 1 . 340 . . 53 GLU CA . 17513 1 253 . 1 1 53 53 GLU CB C 13 30.386 . . 1 . 342 . . 53 GLU CB . 17513 1 254 . 1 1 53 53 GLU N N 15 123.643 0.053 . 1 . 251 . . 53 GLU N . 17513 1 255 . 1 1 54 54 HIS H H 1 8.598 0.033 . 1 . 338 . . 54 HIS H . 17513 1 256 . 1 1 54 54 HIS HA H 1 4.913 . . 1 . 452 . . 54 HIS HA . 17513 1 257 . 1 1 54 54 HIS C C 13 173.977 0.704 . 1 . 343 . . 54 HIS C . 17513 1 258 . 1 1 54 54 HIS CA C 13 53.823 . . 1 . 341 . . 54 HIS CA . 17513 1 259 . 1 1 54 54 HIS N N 15 120.899 0.047 . 1 . 339 . . 54 HIS N . 17513 1 260 . 1 1 55 55 PRO C C 13 176.860 0.03 . 1 . 330 . . 55 PRO C . 17513 1 261 . 1 1 55 55 PRO CA C 13 63.495 0.04 . 1 . 318 . . 55 PRO CA . 17513 1 262 . 1 1 55 55 PRO CB C 13 31.994 . . 1 . 133 . . 55 PRO CB . 17513 1 263 . 1 1 56 56 ASP H H 1 8.806 0.021 . 1 . 131 . . 56 ASP H . 17513 1 264 . 1 1 56 56 ASP HA H 1 4.629 . . 1 . 451 . . 56 ASP HA . 17513 1 265 . 1 1 56 56 ASP C C 13 176.933 0.014 . 1 . 282 . . 56 ASP C . 17513 1 266 . 1 1 56 56 ASP CA C 13 54.352 0.024 . 1 . 201 . . 56 ASP CA . 17513 1 267 . 1 1 56 56 ASP CB C 13 41.108 . . 1 . 202 . . 56 ASP CB . 17513 1 268 . 1 1 56 56 ASP N N 15 120.785 0.047 . 1 . 132 . . 56 ASP N . 17513 1 269 . 1 1 57 57 GLY H H 1 8.457 0.028 . 1 . 199 . . 57 GLY H . 17513 1 270 . 1 1 57 57 GLY HA2 H 1 4.022 . . 1 . 476 . . 57 GLY HA2 . 17513 1 271 . 1 1 57 57 GLY C C 13 174.681 0.009 . 1 . 292 . . 57 GLY C . 17513 1 272 . 1 1 57 57 GLY CA C 13 45.554 0.019 . 1 . 192 . . 57 GLY CA . 17513 1 273 . 1 1 57 57 GLY N N 15 109.506 0.046 . 1 . 200 . . 57 GLY N . 17513 1 274 . 1 1 58 58 THR H H 1 8.167 0.01 . 1 . 190 . . 58 THR H . 17513 1 275 . 1 1 58 58 THR HA H 1 4.312 . . 1 . 473 . . 58 THR HA . 17513 1 276 . 1 1 58 58 THR C C 13 174.320 0.006 . 1 . 293 . . 58 THR C . 17513 1 277 . 1 1 58 58 THR CA C 13 62.138 0.02 . 1 . 77 . . 58 THR CA . 17513 1 278 . 1 1 58 58 THR CB C 13 69.859 . . 1 . 76 . . 58 THR CB . 17513 1 279 . 1 1 58 58 THR N N 15 113.425 0.052 . 1 . 191 . . 58 THR N . 17513 1 280 . 1 1 59 59 ASP H H 1 8.499 0.013 . 1 . 74 . . 59 ASP H . 17513 1 281 . 1 1 59 59 ASP HA H 1 4.596 . . 1 . 432 . . 59 ASP HA . 17513 1 282 . 1 1 59 59 ASP C C 13 175.862 0.003 . 1 . 262 . . 59 ASP C . 17513 1 283 . 1 1 59 59 ASP CA C 13 54.390 0.024 . 1 . 89 . . 59 ASP CA . 17513 1 284 . 1 1 59 59 ASP CB C 13 40.963 . . 1 . 90 . . 59 ASP CB . 17513 1 285 . 1 1 59 59 ASP N N 15 122.467 0.068 . 1 . 75 . . 59 ASP N . 17513 1 286 . 1 1 60 60 LEU H H 1 8.166 0.001 . 1 . 87 . . 60 LEU H . 17513 1 287 . 1 1 60 60 LEU HA H 1 4.258 . . 1 . 438 . . 60 LEU HA . 17513 1 288 . 1 1 60 60 LEU C C 13 176.725 0.0 . 1 . 266 . . 60 LEU C . 17513 1 289 . 1 1 60 60 LEU CA C 13 55.067 0.006 . 1 . 101 . . 60 LEU CA . 17513 1 290 . 1 1 60 60 LEU N N 15 122.216 0.048 . 1 . 88 . . 60 LEU N . 17513 1 291 . 1 1 61 61 ILE H H 1 8.236 0.002 . 1 . 99 . . 61 ILE H . 17513 1 292 . 1 1 61 61 ILE HA H 1 4.009 . . 1 . 439 . . 61 ILE HA . 17513 1 293 . 1 1 61 61 ILE C C 13 175.131 0.0 . 1 . 269 . . 61 ILE C . 17513 1 294 . 1 1 61 61 ILE CA C 13 60.734 0.027 . 1 . 19 . . 61 ILE CA . 17513 1 295 . 1 1 61 61 ILE CB C 13 38.792 . . 1 . 23 . . 61 ILE CB . 17513 1 296 . 1 1 61 61 ILE N N 15 122.002 0.04 . 1 . 100 . . 61 ILE N . 17513 1 297 . 1 1 62 62 TYR H H 1 8.201 0.01 . 1 . 17 . . 62 TYR H . 17513 1 298 . 1 1 62 62 TYR HA H 1 4.513 . . 1 . 411 . . 62 TYR HA . 17513 1 299 . 1 1 62 62 TYR C C 13 174.410 0.001 . 1 . 241 . . 62 TYR C . 17513 1 300 . 1 1 62 62 TYR CA C 13 57.303 0.009 . 1 . 230 . . 62 TYR CA . 17513 1 301 . 1 1 62 62 TYR CB C 13 39.130 . . 1 . 22 . . 62 TYR CB . 17513 1 302 . 1 1 62 62 TYR N N 15 124.775 0.106 . 1 . 18 . . 62 TYR N . 17513 1 303 . 1 1 63 63 TYR H H 1 8.225 0.02 . 1 . 20 . . 63 TYR H . 17513 1 304 . 1 1 63 63 TYR HA H 1 4.711 . . 1 . 412 . . 63 TYR HA . 17513 1 305 . 1 1 63 63 TYR C C 13 173.390 0.03 . 1 . 242 . . 63 TYR C . 17513 1 306 . 1 1 63 63 TYR CA C 13 55.330 0.04 . 1 . 328 . . 63 TYR CA . 17513 1 307 . 1 1 63 63 TYR N N 15 124.689 0.066 . 1 . 21 . . 63 TYR N . 17513 1 308 . 1 1 64 64 PRO C C 13 176.902 0.03 . 1 . 331 . . 64 PRO C . 17513 1 309 . 1 1 64 64 PRO CA C 13 63.033 0.023 . 1 . 188 . . 64 PRO CA . 17513 1 310 . 1 1 64 64 PRO CB C 13 32.016 . . 1 . 189 . . 64 PRO CB . 17513 1 311 . 1 1 65 65 SER H H 1 8.458 0.013 . 1 . 186 . . 65 SER H . 17513 1 312 . 1 1 65 65 SER HA H 1 4.416 . . 1 . 472 . . 65 SER HA . 17513 1 313 . 1 1 65 65 SER C C 13 174.384 0.006 . 1 . 264 . . 65 SER C . 17513 1 314 . 1 1 65 65 SER CA C 13 58.282 0.074 . 1 . 95 . . 65 SER CA . 17513 1 315 . 1 1 65 65 SER CB C 13 63.748 . . 1 . 80 . . 65 SER CB . 17513 1 316 . 1 1 65 65 SER N N 15 115.887 0.042 . 1 . 187 . . 65 SER N . 17513 1 317 . 1 1 66 66 ASP H H 1 8.444 0.013 . 1 . 78 . . 66 ASP H . 17513 1 318 . 1 1 66 66 ASP C C 13 175.857 0.011 . 1 . 263 . . 66 ASP C . 17513 1 319 . 1 1 66 66 ASP CA C 13 54.281 0.034 . 1 . 313 . . 66 ASP CA . 17513 1 320 . 1 1 66 66 ASP CB C 13 41.175 . . 1 . 167 . . 66 ASP CB . 17513 1 321 . 1 1 66 66 ASP N N 15 122.287 0.09 . 1 . 79 . . 66 ASP N . 17513 1 322 . 1 1 67 67 ASN H H 1 8.423 0.012 . 1 . 301 . . 67 ASN H . 17513 1 323 . 1 1 67 67 ASN HA H 1 4.682 . . 1 . 467 . . 67 ASN HA . 17513 1 324 . 1 1 67 67 ASN C C 13 175.285 0.008 . 1 . 302 . . 67 ASN C . 17513 1 325 . 1 1 67 67 ASN CA C 13 53.219 0.047 . 1 . 112 . . 67 ASN CA . 17513 1 326 . 1 1 67 67 ASN CB C 13 38.681 . . 1 . 113 . . 67 ASN CB . 17513 1 327 . 1 1 67 67 ASN N N 15 119.109 0.041 . 1 . 165 . . 67 ASN N . 17513 1 328 . 1 1 68 68 ARG H H 1 8.399 0.013 . 1 . 110 . . 68 ARG H . 17513 1 329 . 1 1 68 68 ARG HA H 1 4.274 . . 1 . 442 . . 68 ARG HA . 17513 1 330 . 1 1 68 68 ARG C C 13 176.195 0.003 . 1 . 275 . . 68 ARG C . 17513 1 331 . 1 1 68 68 ARG CA C 13 56.400 . . 1 . 390 . . 68 ARG CA . 17513 1 332 . 1 1 68 68 ARG N N 15 121.668 0.089 . 1 . 111 . . 68 ARG N . 17513 1 333 . 1 1 69 69 ASP H H 1 8.467 0.013 . 1 . 117 . . 69 ASP H . 17513 1 334 . 1 1 69 69 ASP HA H 1 4.593 . . 1 . 447 . . 69 ASP HA . 17513 1 335 . 1 1 69 69 ASP C C 13 175.826 0.001 . 1 . 274 . . 69 ASP C . 17513 1 336 . 1 1 69 69 ASP CA C 13 54.365 0.012 . 1 . 129 . . 69 ASP CA . 17513 1 337 . 1 1 69 69 ASP CB C 13 40.973 . . 1 . 130 . . 69 ASP CB . 17513 1 338 . 1 1 69 69 ASP N N 15 121.308 0.049 . 1 . 118 . . 69 ASP N . 17513 1 339 . 1 1 70 70 ASP H H 1 8.282 0.012 . 1 . 127 . . 70 ASP H . 17513 1 340 . 1 1 70 70 ASP HA H 1 4.632 . . 1 . 455 . . 70 ASP HA . 17513 1 341 . 1 1 70 70 ASP C C 13 176.045 0.01 . 1 . 279 . . 70 ASP C . 17513 1 342 . 1 1 70 70 ASP CA C 13 53.972 0.045 . 1 . 317 . . 70 ASP CA . 17513 1 343 . 1 1 70 70 ASP CB C 13 41.523 0.659 . 1 . 102 . . 70 ASP CB . 17513 1 344 . 1 1 70 70 ASP N N 15 120.892 0.076 . 1 . 128 . . 70 ASP N . 17513 1 345 . 1 1 71 71 SER H H 1 8.289 0.012 . 1 . 172 . . 71 SER H . 17513 1 346 . 1 1 71 71 SER HA H 1 4.700 . . 1 . 470 . . 71 SER HA . 17513 1 347 . 1 1 71 71 SER C C 13 173.008 0.03 . 1 . 298 . . 71 SER C . 17513 1 348 . 1 1 71 71 SER CA C 13 56.622 0.04 . 1 . 325 . . 71 SER CA . 17513 1 349 . 1 1 71 71 SER N N 15 117.139 0.039 . 1 . 173 . . 71 SER N . 17513 1 350 . 1 1 72 72 PRO CA C 13 63.597 0.069 . 1 . 150 . . 72 PRO CA . 17513 1 351 . 1 1 72 72 PRO CB C 13 31.864 . . 1 . 151 . . 72 PRO CB . 17513 1 352 . 1 1 73 73 GLU H H 1 8.589 0.012 . 1 . 148 . . 73 GLU H . 17513 1 353 . 1 1 73 73 GLU HA H 1 4.200 . . 1 . 462 . . 73 GLU HA . 17513 1 354 . 1 1 73 73 GLU C C 13 177.250 0.005 . 1 . 288 . . 73 GLU C . 17513 1 355 . 1 1 73 73 GLU CA C 13 57.077 0.007 . 1 . 197 . . 73 GLU CA . 17513 1 356 . 1 1 73 73 GLU CB C 13 29.888 . . 1 . 198 . . 73 GLU CB . 17513 1 357 . 1 1 73 73 GLU N N 15 119.919 0.068 . 1 . 149 . . 73 GLU N . 17513 1 358 . 1 1 74 74 GLY H H 1 8.372 0.014 . 1 . 195 . . 74 GLY H . 17513 1 359 . 1 1 74 74 GLY C C 13 174.192 0.003 . 1 . 295 . . 74 GLY C . 17513 1 360 . 1 1 74 74 GLY CA C 13 45.399 0.008 . 1 . 142 . . 74 GLY CA . 17513 1 361 . 1 1 74 74 GLY N N 15 109.922 0.028 . 1 . 196 . . 74 GLY N . 17513 1 362 . 1 1 75 75 ILE H H 1 7.983 0.012 . 1 . 140 . . 75 ILE H . 17513 1 363 . 1 1 75 75 ILE HA H 1 4.126 . . 1 . 457 . . 75 ILE HA . 17513 1 364 . 1 1 75 75 ILE C C 13 176.445 0.014 . 1 . 286 . . 75 ILE C . 17513 1 365 . 1 1 75 75 ILE CA C 13 61.239 0.004 . 1 . 16 . . 75 ILE CA . 17513 1 366 . 1 1 75 75 ILE CB C 13 38.572 . . 1 . 225 . . 75 ILE CB . 17513 1 367 . 1 1 75 75 ILE N N 15 120.692 0.057 . 1 . 141 . . 75 ILE N . 17513 1 368 . 1 1 76 76 VAL H H 1 8.254 0.011 . 1 . 14 . . 76 VAL H . 17513 1 369 . 1 1 76 76 VAL HA H 1 4.000 . . 1 . 410 . . 76 VAL HA . 17513 1 370 . 1 1 76 76 VAL C C 13 176.334 0.021 . 1 . 240 . . 76 VAL C . 17513 1 371 . 1 1 76 76 VAL CA C 13 62.919 0.011 . 1 . 224 . . 76 VAL CA . 17513 1 372 . 1 1 76 76 VAL CB C 13 32.434 . . 1 . 389 . . 76 VAL CB . 17513 1 373 . 1 1 76 76 VAL N N 15 124.961 0.097 . 1 . 15 . . 76 VAL N . 17513 1 374 . 1 1 77 77 LYS H H 1 8.405 0.013 . 1 . 222 . . 77 LYS H . 17513 1 375 . 1 1 77 77 LYS HA H 1 4.252 . . 1 . 407 . . 77 LYS HA . 17513 1 376 . 1 1 77 77 LYS C C 13 176.651 0.03 . 1 . 487 . . 77 LYS C . 17513 1 377 . 1 1 77 77 LYS CA C 13 56.691 0.04 . 1 . 309 . . 77 LYS CA . 17513 1 378 . 1 1 77 77 LYS N N 15 125.555 0.068 . 1 . 223 . . 77 LYS N . 17513 1 379 . 1 1 78 78 GLU H H 1 8.345 0.019 . 1 . 485 . . 78 GLU H . 17513 1 380 . 1 1 78 78 GLU N N 15 123.269 0.028 . 1 . 486 . . 78 GLU N . 17513 1 381 . 1 1 79 79 ILE C C 13 175.998 0.03 . 1 . 399 . . 79 ILE C . 17513 1 382 . 1 1 80 80 LYS H H 1 8.347 0.015 . 1 . 397 . . 80 LYS H . 17513 1 383 . 1 1 80 80 LYS HA H 1 4.054 . . 1 . 425 . . 80 LYS HA . 17513 1 384 . 1 1 80 80 LYS C C 13 176.542 0.03 . 1 . 396 . . 80 LYS C . 17513 1 385 . 1 1 80 80 LYS N N 15 123.263 0.04 . 1 . 398 . . 80 LYS N . 17513 1 386 . 1 1 81 81 GLU H H 1 8.469 0.014 . 1 . 392 . . 81 GLU H . 17513 1 387 . 1 1 81 81 GLU HA H 1 4.208 . . 1 . 408 . . 81 GLU HA . 17513 1 388 . 1 1 81 81 GLU C C 13 176.494 0.03 . 1 . 391 . . 81 GLU C . 17513 1 389 . 1 1 81 81 GLU CA C 13 56.819 0.067 . 1 . 61 . . 81 GLU CA . 17513 1 390 . 1 1 81 81 GLU CB C 13 30.057 . . 1 . 62 . . 81 GLU CB . 17513 1 391 . 1 1 81 81 GLU N N 15 125.327 0.066 . 1 . 393 . . 81 GLU N . 17513 1 392 . 1 1 82 82 TRP H H 1 8.347 0.015 . 1 . 59 . . 82 TRP H . 17513 1 393 . 1 1 82 82 TRP HA H 1 4.512 . . 1 . 426 . . 82 TRP HA . 17513 1 394 . 1 1 82 82 TRP C C 13 176.582 0.019 . 1 . 256 . . 82 TRP C . 17513 1 395 . 1 1 82 82 TRP CA C 13 58.418 0.044 . 1 . 213 . . 82 TRP CA . 17513 1 396 . 1 1 82 82 TRP N N 15 123.256 0.057 . 1 . 60 . . 82 TRP N . 17513 1 397 . 1 1 83 83 ARG H H 1 8.110 0.015 . 1 . 211 . . 83 ARG H . 17513 1 398 . 1 1 83 83 ARG C C 13 175.956 0.03 . 1 . 329 . . 83 ARG C . 17513 1 399 . 1 1 83 83 ARG CA C 13 56.265 0.019 . 1 . 32 . . 83 ARG CA . 17513 1 400 . 1 1 83 83 ARG CB C 13 31.041 . . 1 . 33 . . 83 ARG CB . 17513 1 401 . 1 1 83 83 ARG N N 15 122.885 0.024 . 1 . 212 . . 83 ARG N . 17513 1 402 . 1 1 84 84 ALA H H 1 8.098 0.014 . 1 . 30 . . 84 ALA H . 17513 1 403 . 1 1 84 84 ALA HA H 1 4.053 . . 1 . 414 . . 84 ALA HA . 17513 1 404 . 1 1 84 84 ALA C C 13 178.078 0.0 . 1 . 248 . . 84 ALA C . 17513 1 405 . 1 1 84 84 ALA CA C 13 52.816 0.016 . 1 . 311 . . 84 ALA CA . 17513 1 406 . 1 1 84 84 ALA CB C 13 18.802 . . 1 . 83 . . 84 ALA CB . 17513 1 407 . 1 1 84 84 ALA N N 15 124.197 0.051 . 1 . 31 . . 84 ALA N . 17513 1 408 . 1 1 85 85 ALA H H 1 8.213 0.034 . 1 . 81 . . 85 ALA H . 17513 1 409 . 1 1 85 85 ALA HA H 1 4.196 . . 1 . 436 . . 85 ALA HA . 17513 1 410 . 1 1 85 85 ALA C C 13 177.499 0.258 . 1 . 243 . . 85 ALA C . 17513 1 411 . 1 1 85 85 ALA CA C 13 52.804 0.04 . 1 . 179 . . 85 ALA CA . 17513 1 412 . 1 1 85 85 ALA CB C 13 18.853 . . 1 . 181 . . 85 ALA CB . 17513 1 413 . 1 1 85 85 ALA N N 15 122.626 0.595 . 1 . 82 . . 85 ALA N . 17513 1 414 . 1 1 86 86 ASN H H 1 8.194 0.012 . 1 . 177 . . 86 ASN H . 17513 1 415 . 1 1 86 86 ASN C C 13 175.624 0.03 . 1 . 300 . . 86 ASN C . 17513 1 416 . 1 1 86 86 ASN CA C 13 53.193 0.028 . 1 . 209 . . 86 ASN CA . 17513 1 417 . 1 1 86 86 ASN CB C 13 38.610 . . 1 . 210 . . 86 ASN CB . 17513 1 418 . 1 1 86 86 ASN N N 15 116.739 0.02 . 1 . 178 . . 86 ASN N . 17513 1 419 . 1 1 87 87 GLY H H 1 8.218 0.014 . 1 . 207 . . 87 GLY H . 17513 1 420 . 1 1 87 87 GLY HA2 H 1 3.881 . . 1 . 477 . . 87 GLY HA2 . 17513 1 421 . 1 1 87 87 GLY C C 13 173.674 0.011 . 1 . 272 . . 87 GLY C . 17513 1 422 . 1 1 87 87 GLY CA C 13 45.181 0.027 . 1 . 107 . . 87 GLY CA . 17513 1 423 . 1 1 87 87 GLY N N 15 108.621 0.038 . 1 . 208 . . 87 GLY N . 17513 1 424 . 1 1 88 88 LYS H H 1 8.116 0.013 . 1 . 105 . . 88 LYS H . 17513 1 425 . 1 1 88 88 LYS HA H 1 4.578 . . 1 . 446 . . 88 LYS HA . 17513 1 426 . 1 1 88 88 LYS C C 13 174.459 0.03 . 1 . 271 . . 88 LYS C . 17513 1 427 . 1 1 88 88 LYS CA C 13 54.051 0.04 . 1 . 314 . . 88 LYS CA . 17513 1 428 . 1 1 88 88 LYS N N 15 121.826 0.056 . 1 . 106 . . 88 LYS N . 17513 1 429 . 1 1 89 89 PRO C C 13 177.494 0.03 . 1 . 296 . . 89 PRO C . 17513 1 430 . 1 1 89 89 PRO CA C 13 63.372 0.04 . 1 . 205 . . 89 PRO CA . 17513 1 431 . 1 1 89 89 PRO CB C 13 31.951 . . 1 . 206 . . 89 PRO CB . 17513 1 432 . 1 1 90 90 GLY H H 1 8.570 0.012 . 1 . 203 . . 90 GLY H . 17513 1 433 . 1 1 90 90 GLY HA2 H 1 3.860 . . 1 . 475 . . 90 GLY HA2 . 17513 1 434 . 1 1 90 90 GLY C C 13 173.740 0.003 . 1 . 297 . . 90 GLY C . 17513 1 435 . 1 1 90 90 GLY CA C 13 44.984 0.013 . 1 . 139 . . 90 GLY CA . 17513 1 436 . 1 1 90 90 GLY N N 15 109.640 0.044 . 1 . 204 . . 90 GLY N . 17513 1 437 . 1 1 91 91 PHE H H 1 8.118 0.012 . 1 . 137 . . 91 PHE H . 17513 1 438 . 1 1 91 91 PHE HA H 1 4.561 . . 1 . 460 . . 91 PHE HA . 17513 1 439 . 1 1 91 91 PHE C C 13 175.428 0.001 . 1 . 245 . . 91 PHE C . 17513 1 440 . 1 1 91 91 PHE CA C 13 57.761 0.04 . 1 . 320 . . 91 PHE CA . 17513 1 441 . 1 1 91 91 PHE CB C 13 39.774 . . 1 . 26 . . 91 PHE CB . 17513 1 442 . 1 1 91 91 PHE N N 15 120.318 0.054 . 1 . 138 . . 91 PHE N . 17513 1 443 . 1 1 92 92 LYS H H 1 8.312 0.011 . 1 . 24 . . 92 LYS H . 17513 1 444 . 1 1 92 92 LYS HA H 1 4.211 . . 1 . 413 . . 92 LYS HA . 17513 1 445 . 1 1 92 92 LYS C C 13 175.721 0.009 . 1 . 244 . . 92 LYS C . 17513 1 446 . 1 1 92 92 LYS CA C 13 56.031 0.018 . 1 . 50 . . 92 LYS CA . 17513 1 447 . 1 1 92 92 LYS CB C 13 33.106 . . 1 . 51 . . 92 LYS CB . 17513 1 448 . 1 1 92 92 LYS N N 15 124.373 0.036 . 1 . 25 . . 92 LYS N . 17513 1 449 . 1 1 93 93 GLN H H 1 8.467 0.012 . 1 . 48 . . 93 GLN H . 17513 1 450 . 1 1 93 93 GLN HA H 1 4.255 . . 1 . 429 . . 93 GLN HA . 17513 1 451 . 1 1 93 93 GLN C C 13 175.315 0.004 . 1 . 254 . . 93 GLN C . 17513 1 452 . 1 1 93 93 GLN CA C 13 55.762 0.069 . 1 . 170 . . 93 GLN CA . 17513 1 453 . 1 1 93 93 GLN CB C 13 29.641 . . 1 . 171 . . 93 GLN CB . 17513 1 454 . 1 1 93 93 GLN N N 15 123.044 0.053 . 1 . 49 . . 93 GLN N . 17513 1 455 . 1 1 94 94 GLY H H 1 8.180 0.013 . 1 . 168 . . 94 GLY H . 17513 1 456 . 1 1 94 94 GLY HA2 H 1 3.745 . . 1 . 469 . . 94 GLY HA2 . 17513 1 457 . 1 1 94 94 GLY C C 13 178.974 0.03 . 1 . 290 . . 94 GLY C . 17513 1 458 . 1 1 94 94 GLY CA C 13 46.051 0.04 . 1 . 324 . . 94 GLY CA . 17513 1 459 . 1 1 94 94 GLY N N 15 117.333 0.054 . 1 . 169 . . 94 GLY N . 17513 1 stop_ save_ ################################### # 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_6_m_urea_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode 6_m_urea_chemical_shifts _Assigned_chem_shift_list.Entry_ID 17513 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_urea _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 10 '2D 1H-15N HSQC' 1 $0.5mM isotropic 17513 2 11 '3D HNCA' 2 $urea isotropic 17513 2 12 '3D HNCO' 1 $0.5mM isotropic 17513 2 13 '3D HNCACO' 1 $0.5mM isotropic 17513 2 14 '3D CBCA(CO)NH' 1 $0.5mM isotropic 17513 2 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.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 9 9 GLU C C 13 176.217 . . 1 . 575 . . 9 GLU C . 17513 2 2 . 1 1 9 9 GLU CA C 13 56.283 . . 1 . 573 . . 9 GLU CA . 17513 2 3 . 1 1 9 9 GLU CB C 13 30.468 . . 1 . 574 . . 9 GLU CB . 17513 2 4 . 1 1 10 10 LEU H H 1 8.560 0.002 . 1 . 25 . . 10 LEU H . 17513 2 5 . 1 1 10 10 LEU C C 13 177.321 0.002 . 1 . 480 . . 10 LEU C . 17513 2 6 . 1 1 10 10 LEU CA C 13 54.984 0.003 . 1 . 481 . . 10 LEU CA . 17513 2 7 . 1 1 10 10 LEU CB C 13 42.196 0.004 . 1 . 482 . . 10 LEU CB . 17513 2 8 . 1 1 10 10 LEU N N 15 124.530 0.054 . 1 . 26 . . 10 LEU N . 17513 2 9 . 1 1 11 11 LYS H H 1 8.610 0.004 . 1 . 478 . . 11 LYS H . 17513 2 10 . 1 1 11 11 LYS C C 13 176.366 0.001 . 1 . 428 . . 11 LYS C . 17513 2 11 . 1 1 11 11 LYS CA C 13 56.310 0.023 . 1 . 429 . . 11 LYS CA . 17513 2 12 . 1 1 11 11 LYS CB C 13 33.179 0.06 . 1 . 564 . . 11 LYS CB . 17513 2 13 . 1 1 11 11 LYS N N 15 123.132 0.048 . 1 . 479 . . 11 LYS N . 17513 2 14 . 1 1 12 12 ASN H H 1 8.674 0.004 . 1 . 105 . . 12 ASN H . 17513 2 15 . 1 1 12 12 ASN C C 13 175.214 0.001 . 1 . 378 . . 12 ASN C . 17513 2 16 . 1 1 12 12 ASN CA C 13 53.141 0.053 . 1 . 376 . . 12 ASN CA . 17513 2 17 . 1 1 12 12 ASN CB C 13 38.982 0.025 . 1 . 373 . . 12 ASN CB . 17513 2 18 . 1 1 12 12 ASN N N 15 120.453 0.052 . 1 . 106 . . 12 ASN N . 17513 2 19 . 1 1 13 13 SER H H 1 8.466 0.001 . 1 . 123 . . 13 SER H . 17513 2 20 . 1 1 13 13 SER C C 13 174.511 0.005 . 1 . 273 . . 13 SER C . 17513 2 21 . 1 1 13 13 SER CA C 13 58.271 0.024 . 1 . 272 . . 13 SER CA . 17513 2 22 . 1 1 13 13 SER CB C 13 63.827 0.021 . 1 . 275 . . 13 SER CB . 17513 2 23 . 1 1 13 13 SER N N 15 116.681 0.041 . 1 . 124 . . 13 SER N . 17513 2 24 . 1 1 14 14 ILE H H 1 8.363 0.004 . 1 . 379 . . 14 ILE H . 17513 2 25 . 1 1 14 14 ILE C C 13 176.305 0.044 . 1 . 387 . . 14 ILE C . 17513 2 26 . 1 1 14 14 ILE CA C 13 61.244 0.009 . 1 . 391 . . 14 ILE CA . 17513 2 27 . 1 1 14 14 ILE CB C 13 38.828 0.024 . 1 . 381 . . 14 ILE CB . 17513 2 28 . 1 1 14 14 ILE N N 15 122.664 0.045 . 1 . 380 . . 14 ILE N . 17513 2 29 . 1 1 15 15 SER H H 1 8.426 0.022 . 1 . 56 . . 15 SER H . 17513 2 30 . 1 1 15 15 SER C C 13 174.095 . . 1 . 388 . . 15 SER C . 17513 2 31 . 1 1 15 15 SER CA C 13 58.286 0.003 . 1 . 390 . . 15 SER CA . 17513 2 32 . 1 1 15 15 SER CB C 13 63.863 0.023 . 1 . 389 . . 15 SER CB . 17513 2 33 . 1 1 15 15 SER N N 15 119.942 0.943 . 1 . 57 . . 15 SER N . 17513 2 34 . 1 1 16 16 ASP H H 1 8.402 0.003 . 1 . 392 . . 16 ASP H . 17513 2 35 . 1 1 16 16 ASP C C 13 175.840 0.008 . 1 . 347 . . 16 ASP C . 17513 2 36 . 1 1 16 16 ASP CA C 13 54.318 0.015 . 1 . 345 . . 16 ASP CA . 17513 2 37 . 1 1 16 16 ASP CB C 13 41.151 0.023 . 1 . 350 . . 16 ASP CB . 17513 2 38 . 1 1 16 16 ASP N N 15 122.771 0.046 . 1 . 393 . . 16 ASP N . 17513 2 39 . 1 1 17 17 TYR H H 1 8.238 0.003 . 1 . 395 . . 17 TYR H . 17513 2 40 . 1 1 17 17 TYR C C 13 175.869 0.019 . 1 . 398 . . 17 TYR C . 17513 2 41 . 1 1 17 17 TYR CA C 13 58.083 0.027 . 1 . 394 . . 17 TYR CA . 17513 2 42 . 1 1 17 17 TYR CB C 13 38.709 0.037 . 1 . 397 . . 17 TYR CB . 17513 2 43 . 1 1 17 17 TYR N N 15 120.918 0.087 . 1 . 396 . . 17 TYR N . 17513 2 44 . 1 1 18 18 THR H H 1 8.180 0.001 . 1 . 121 . . 18 THR H . 17513 2 45 . 1 1 18 18 THR C C 13 174.154 0.008 . 1 . 344 . . 18 THR C . 17513 2 46 . 1 1 18 18 THR CA C 13 61.778 0.014 . 1 . 341 . . 18 THR CA . 17513 2 47 . 1 1 18 18 THR CB C 13 69.994 0.052 . 1 . 342 . . 18 THR CB . 17513 2 48 . 1 1 18 18 THR N N 15 117.187 0.038 . 1 . 122 . . 18 THR N . 17513 2 49 . 1 1 19 19 GLU H H 1 8.451 0.001 . 1 . 339 . . 19 GLU H . 17513 2 50 . 1 1 19 19 GLU C C 13 176.195 0.002 . 1 . 343 . . 19 GLU C . 17513 2 51 . 1 1 19 19 GLU CA C 13 56.506 0.0 . 1 . 338 . . 19 GLU CA . 17513 2 52 . 1 1 19 19 GLU CB C 13 30.306 . . 1 . 587 . . 19 GLU CB . 17513 2 53 . 1 1 19 19 GLU N N 15 123.709 0.041 . 1 . 340 . . 19 GLU N . 17513 2 54 . 1 1 20 20 ALA H H 1 8.375 0.001 . 1 . 21 . . 20 ALA H . 17513 2 55 . 1 1 20 20 ALA C C 13 177.680 0.004 . 1 . 336 . . 20 ALA C . 17513 2 56 . 1 1 20 20 ALA CA C 13 52.710 0.004 . 1 . 333 . . 20 ALA CA . 17513 2 57 . 1 1 20 20 ALA CB C 13 19.273 0.016 . 1 . 331 . . 20 ALA CB . 17513 2 58 . 1 1 20 20 ALA N N 15 125.105 0.036 . 1 . 22 . . 20 ALA N . 17513 2 59 . 1 1 21 21 GLU H H 1 8.420 0.001 . 1 . 109 . . 21 GLU H . 17513 2 60 . 1 1 21 21 GLU C C 13 176.184 0.002 . 1 . 335 . . 21 GLU C . 17513 2 61 . 1 1 21 21 GLU CA C 13 56.726 0.011 . 1 . 334 . . 21 GLU CA . 17513 2 62 . 1 1 21 21 GLU CB C 13 30.425 0.005 . 1 . 332 . . 21 GLU CB . 17513 2 63 . 1 1 21 21 GLU N N 15 120.243 0.043 . 1 . 110 . . 21 GLU N . 17513 2 64 . 1 1 22 22 PHE H H 1 8.353 0.002 . 1 . 71 . . 22 PHE H . 17513 2 65 . 1 1 22 22 PHE C C 13 175.396 0.002 . 1 . 351 . . 22 PHE C . 17513 2 66 . 1 1 22 22 PHE CA C 13 57.706 . . 1 . 534 . . 22 PHE CA . 17513 2 67 . 1 1 22 22 PHE CB C 13 39.614 . . 1 . 567 . . 22 PHE CB . 17513 2 68 . 1 1 22 22 PHE N N 15 121.780 0.047 . 1 . 72 . . 22 PHE N . 17513 2 69 . 1 1 23 23 VAL H H 1 8.156 0.006 . 1 . 27 . . 23 VAL H . 17513 2 70 . 1 1 23 23 VAL C C 13 175.667 . . 1 . 571 . . 23 VAL C . 17513 2 71 . 1 1 23 23 VAL CA C 13 62.163 . . 1 . 570 . . 23 VAL CA . 17513 2 72 . 1 1 23 23 VAL CB C 13 32.894 . . 1 . 566 . . 23 VAL CB . 17513 2 73 . 1 1 23 23 VAL N N 15 124.088 0.12 . 1 . 28 . . 23 VAL N . 17513 2 74 . 1 1 24 24 GLN H H 1 8.493 0.001 . 1 . 19 . . 24 GLN H . 17513 2 75 . 1 1 24 24 GLN C C 13 175.577 0.005 . 1 . 357 . . 24 GLN C . 17513 2 76 . 1 1 24 24 GLN CA C 13 55.691 0.023 . 1 . 358 . . 24 GLN CA . 17513 2 77 . 1 1 24 24 GLN CB C 13 29.496 0.054 . 1 . 359 . . 24 GLN CB . 17513 2 78 . 1 1 24 24 GLN N N 15 125.191 0.046 . 1 . 20 . . 24 GLN N . 17513 2 79 . 1 1 25 25 ALA H H 1 8.510 0.001 . 1 . 9 . . 25 ALA H . 17513 2 80 . 1 1 25 25 ALA C C 13 177.417 0.003 . 1 . 330 . . 25 ALA C . 17513 2 81 . 1 1 25 25 ALA CA C 13 52.341 0.036 . 1 . 326 . . 25 ALA CA . 17513 2 82 . 1 1 25 25 ALA CB C 13 19.264 . . 1 . 327 . . 25 ALA CB . 17513 2 83 . 1 1 25 25 ALA N N 15 126.507 0.045 . 1 . 10 . . 25 ALA N . 17513 2 84 . 1 1 26 26 ALA H H 1 8.415 0.008 . 1 . 360 . . 26 ALA H . 17513 2 85 . 1 1 26 26 ALA C C 13 177.812 0.0 . 1 . 362 . . 26 ALA C . 17513 2 86 . 1 1 26 26 ALA CA C 13 52.343 0.042 . 1 . 367 . . 26 ALA CA . 17513 2 87 . 1 1 26 26 ALA CB C 13 19.214 0.065 . 1 . 363 . . 26 ALA CB . 17513 2 88 . 1 1 26 26 ALA N N 15 123.909 0.15 . 1 . 361 . . 26 ALA N . 17513 2 89 . 1 1 27 27 LYS H H 1 8.430 0.003 . 1 . 364 . . 27 LYS H . 17513 2 90 . 1 1 27 27 LYS C C 13 176.654 0.006 . 1 . 369 . . 27 LYS C . 17513 2 91 . 1 1 27 27 LYS CA C 13 56.356 0.112 . 1 . 368 . . 27 LYS CA . 17513 2 92 . 1 1 27 27 LYS CB C 13 33.255 0.106 . 1 . 366 . . 27 LYS CB . 17513 2 93 . 1 1 27 27 LYS N N 15 121.358 0.037 . 1 . 365 . . 27 LYS N . 17513 2 94 . 1 1 28 28 GLU H H 1 8.589 0.005 . 1 . 546 . . 28 GLU H . 17513 2 95 . 1 1 28 28 GLU C C 13 176.428 0.002 . 1 . 548 . . 28 GLU C . 17513 2 96 . 1 1 28 28 GLU CA C 13 56.332 0.065 . 1 . 550 . . 28 GLU CA . 17513 2 97 . 1 1 28 28 GLU CB C 13 30.425 0.049 . 1 . 551 . . 28 GLU CB . 17513 2 98 . 1 1 28 28 GLU N N 15 122.961 0.118 . 1 . 547 . . 28 GLU N . 17513 2 99 . 1 1 29 29 ILE H H 1 8.353 0.002 . 1 . 487 . . 29 ILE H . 17513 2 100 . 1 1 29 29 ILE C C 13 176.237 0.025 . 1 . 552 . . 29 ILE C . 17513 2 101 . 1 1 29 29 ILE CA C 13 61.091 . . 1 . 588 . . 29 ILE CA . 17513 2 102 . 1 1 29 29 ILE CB C 13 38.815 0.028 . 1 . 558 . . 29 ILE CB . 17513 2 103 . 1 1 29 29 ILE N N 15 122.634 0.051 . 1 . 488 . . 29 ILE N . 17513 2 104 . 1 1 30 30 GLU H H 1 8.624 0.001 . 1 . 13 . . 30 GLU H . 17513 2 105 . 1 1 30 30 GLU C C 13 176.402 0.005 . 1 . 232 . . 30 GLU C . 17513 2 106 . 1 1 30 30 GLU CA C 13 56.519 . . 1 . 231 . . 30 GLU CA . 17513 2 107 . 1 1 30 30 GLU CB C 13 30.256 0.022 . 1 . 230 . . 30 GLU CB . 17513 2 108 . 1 1 30 30 GLU N N 15 125.833 0.042 . 1 . 14 . . 30 GLU N . 17513 2 109 . 1 1 31 31 LYS H H 1 8.508 0.002 . 1 . 41 . . 31 LYS H . 17513 2 110 . 1 1 31 31 LYS C C 13 176.504 0.028 . 1 . 234 . . 31 LYS C . 17513 2 111 . 1 1 31 31 LYS CA C 13 56.501 . . 1 . 444 . . 31 LYS CA . 17513 2 112 . 1 1 31 31 LYS CB C 13 33.332 0.021 . 1 . 233 . . 31 LYS CB . 17513 2 113 . 1 1 31 31 LYS N N 15 123.361 0.038 . 1 . 42 . . 31 LYS N . 17513 2 114 . 1 1 32 32 GLU H H 1 8.631 0.002 . 1 . 440 . . 32 GLU H . 17513 2 115 . 1 1 32 32 GLU C C 13 176.171 0.005 . 1 . 446 . . 32 GLU C . 17513 2 116 . 1 1 32 32 GLU CA C 13 56.501 . . 1 . 445 . . 32 GLU CA . 17513 2 117 . 1 1 32 32 GLU CB C 13 30.445 0.046 . 1 . 576 . . 32 GLU CB . 17513 2 118 . 1 1 32 32 GLU N N 15 122.322 0.061 . 1 . 443 . . 32 GLU N . 17513 2 119 . 1 1 33 33 ASN H H 1 8.708 0.016 . 1 . 430 . . 33 ASN H . 17513 2 120 . 1 1 33 33 ASN C C 13 175.628 0.548 . 1 . 251 . . 33 ASN C . 17513 2 121 . 1 1 33 33 ASN CA C 13 53.086 0.041 . 1 . 250 . . 33 ASN CA . 17513 2 122 . 1 1 33 33 ASN CB C 13 38.757 0.049 . 1 . 253 . . 33 ASN CB . 17513 2 123 . 1 1 33 33 ASN N N 15 121.372 0.856 . 1 . 295 . . 33 ASN N . 17513 2 124 . 1 1 34 34 VAL H H 1 8.223 0.002 . 1 . 91 . . 34 VAL H . 17513 2 125 . 1 1 34 34 VAL C C 13 175.719 . . 1 . 585 . . 34 VAL C . 17513 2 126 . 1 1 34 34 VAL CA C 13 62.046 0.006 . 1 . 157 . . 34 VAL CA . 17513 2 127 . 1 1 34 34 VAL CB C 13 32.894 0.0 . 1 . 160 . . 34 VAL CB . 17513 2 128 . 1 1 34 34 VAL N N 15 121.134 0.045 . 1 . 92 . . 34 VAL N . 17513 2 129 . 1 1 35 35 ALA H H 1 8.481 0.001 . 1 . 3 . . 35 ALA H . 17513 2 130 . 1 1 35 35 ALA C C 13 177.422 0.001 . 1 . 161 . . 35 ALA C . 17513 2 131 . 1 1 35 35 ALA CA C 13 52.281 . . 1 . 159 . . 35 ALA CA . 17513 2 132 . 1 1 35 35 ALA CB C 13 19.286 0.026 . 1 . 158 . . 35 ALA CB . 17513 2 133 . 1 1 35 35 ALA N N 15 128.038 0.049 . 1 . 4 . . 35 ALA N . 17513 2 134 . 1 1 36 36 ALA H H 1 8.432 0.004 . 1 . 29 . . 36 ALA H . 17513 2 135 . 1 1 36 36 ALA C C 13 177.965 0.004 . 1 . 164 . . 36 ALA C . 17513 2 136 . 1 1 36 36 ALA CA C 13 52.491 . . 1 . 166 . . 36 ALA CA . 17513 2 137 . 1 1 36 36 ALA CB C 13 19.221 0.04 . 1 . 165 . . 36 ALA CB . 17513 2 138 . 1 1 36 36 ALA N N 15 124.211 0.032 . 1 . 30 . . 36 ALA N . 17513 2 139 . 1 1 37 37 THR H H 1 8.203 0.001 . 1 . 137 . . 37 THR H . 17513 2 140 . 1 1 37 37 THR C C 13 174.370 0.007 . 1 . 169 . . 37 THR C . 17513 2 141 . 1 1 37 37 THR CA C 13 61.444 0.01 . 1 . 167 . . 37 THR CA . 17513 2 142 . 1 1 37 37 THR CB C 13 69.822 0.049 . 1 . 168 . . 37 THR CB . 17513 2 143 . 1 1 37 37 THR N N 15 112.705 0.042 . 1 . 138 . . 37 THR N . 17513 2 144 . 1 1 38 38 ASP H H 1 8.428 0.001 . 1 . 65 . . 38 ASP H . 17513 2 145 . 1 1 38 38 ASP C C 13 175.869 0.005 . 1 . 435 . . 38 ASP C . 17513 2 146 . 1 1 38 38 ASP CA C 13 54.351 0.025 . 1 . 170 . . 38 ASP CA . 17513 2 147 . 1 1 38 38 ASP CB C 13 41.216 . . 1 . 171 . . 38 ASP CB . 17513 2 148 . 1 1 38 38 ASP N N 15 122.227 0.041 . 1 . 508 . . 38 ASP N . 17513 2 149 . 1 1 39 39 ASP H H 1 8.377 0.002 . 1 . 95 . . 39 ASP H . 17513 2 150 . 1 1 39 39 ASP C C 13 176.139 0.002 . 1 . 238 . . 39 ASP C . 17513 2 151 . 1 1 39 39 ASP CA C 13 54.384 0.008 . 1 . 239 . . 39 ASP CA . 17513 2 152 . 1 1 39 39 ASP CB C 13 41.173 0.025 . 1 . 241 . . 39 ASP CB . 17513 2 153 . 1 1 39 39 ASP N N 15 121.017 0.038 . 1 . 96 . . 39 ASP N . 17513 2 154 . 1 1 40 40 VAL H H 1 8.166 0.001 . 1 . 103 . . 40 VAL H . 17513 2 155 . 1 1 40 40 VAL C C 13 176.090 0.01 . 1 . 243 . . 40 VAL C . 17513 2 156 . 1 1 40 40 VAL CA C 13 62.302 0.073 . 1 . 240 . . 40 VAL CA . 17513 2 157 . 1 1 40 40 VAL CB C 13 32.631 0.044 . 1 . 242 . . 40 VAL CB . 17513 2 158 . 1 1 40 40 VAL N N 15 120.512 0.039 . 1 . 104 . . 40 VAL N . 17513 2 159 . 1 1 41 41 LEU H H 1 8.406 0.003 . 1 . 11 . . 41 LEU H . 17513 2 160 . 1 1 41 41 LEU C C 13 176.962 0.006 . 1 . 246 . . 41 LEU C . 17513 2 161 . 1 1 41 41 LEU CA C 13 54.919 0.042 . 1 . 245 . . 41 LEU CA . 17513 2 162 . 1 1 41 41 LEU CB C 13 42.411 0.038 . 1 . 244 . . 41 LEU CB . 17513 2 163 . 1 1 41 41 LEU N N 15 125.959 0.05 . 1 . 12 . . 41 LEU N . 17513 2 164 . 1 1 42 42 ASP H H 1 8.469 0.001 . 1 . 63 . . 42 ASP H . 17513 2 165 . 1 1 42 42 ASP C C 13 176.247 0.01 . 1 . 249 . . 42 ASP C . 17513 2 166 . 1 1 42 42 ASP CA C 13 54.212 0.033 . 1 . 248 . . 42 ASP CA . 17513 2 167 . 1 1 42 42 ASP CB C 13 41.092 0.007 . 1 . 247 . . 42 ASP CB . 17513 2 168 . 1 1 42 42 ASP N N 15 122.300 0.046 . 1 . 64 . . 42 ASP N . 17513 2 169 . 1 1 43 43 VAL H H 1 8.109 0.001 . 1 . 99 . . 43 VAL H . 17513 2 170 . 1 1 43 43 VAL C C 13 175.829 0.002 . 1 . 305 . . 43 VAL C . 17513 2 171 . 1 1 43 43 VAL CA C 13 62.180 0.027 . 1 . 304 . . 43 VAL CA . 17513 2 172 . 1 1 43 43 VAL CB C 13 32.825 0.037 . 1 . 302 . . 43 VAL CB . 17513 2 173 . 1 1 43 43 VAL N N 15 120.579 0.042 . 1 . 100 . . 43 VAL N . 17513 2 174 . 1 1 44 44 ALA H H 1 8.440 0.001 . 1 . 5 . . 44 ALA H . 17513 2 175 . 1 1 44 44 ALA C C 13 177.737 0.012 . 1 . 306 . . 44 ALA C . 17513 2 176 . 1 1 44 44 ALA CA C 13 52.462 0.0 . 1 . 303 . . 44 ALA CA . 17513 2 177 . 1 1 44 44 ALA CB C 13 19.064 0.001 . 1 . 301 . . 44 ALA CB . 17513 2 178 . 1 1 44 44 ALA N N 15 127.220 0.051 . 1 . 6 . . 44 ALA N . 17513 2 179 . 1 1 45 45 LEU H H 1 8.210 0.001 . 1 . 73 . . 45 LEU H . 17513 2 180 . 1 1 45 45 LEU C C 13 177.427 0.002 . 1 . 312 . . 45 LEU C . 17513 2 181 . 1 1 45 45 LEU CA C 13 55.070 0.031 . 1 . 310 . . 45 LEU CA . 17513 2 182 . 1 1 45 45 LEU CB C 13 42.313 0.026 . 1 . 311 . . 45 LEU CB . 17513 2 183 . 1 1 45 45 LEU N N 15 121.698 0.043 . 1 . 74 . . 45 LEU N . 17513 2 184 . 1 1 46 46 GLU H H 1 8.444 0.003 . 1 . 77 . . 46 GLU H . 17513 2 185 . 1 1 46 46 GLU C C 13 176.098 0.003 . 1 . 313 . . 46 GLU C . 17513 2 186 . 1 1 46 46 GLU CA C 13 56.532 . . 1 . 315 . . 46 GLU CA . 17513 2 187 . 1 1 46 46 GLU CB C 13 30.337 0.019 . 1 . 314 . . 46 GLU CB . 17513 2 188 . 1 1 46 46 GLU N N 15 121.472 0.043 . 1 . 78 . . 46 GLU N . 17513 2 189 . 1 1 47 47 HIS H H 1 8.506 0.001 . 1 . 111 . . 47 HIS H . 17513 2 190 . 1 1 47 47 HIS C C 13 174.195 0.009 . 1 . 318 . . 47 HIS C . 17513 2 191 . 1 1 47 47 HIS CA C 13 55.415 0.004 . 1 . 316 . . 47 HIS CA . 17513 2 192 . 1 1 47 47 HIS CB C 13 29.854 0.097 . 1 . 317 . . 47 HIS CB . 17513 2 193 . 1 1 47 47 HIS N N 15 120.018 0.042 . 1 . 112 . . 47 HIS N . 17513 2 194 . 1 1 48 48 PHE H H 1 8.391 0.003 . 1 . 319 . . 48 PHE H . 17513 2 195 . 1 1 48 48 PHE C C 13 175.247 0.005 . 1 . 276 . . 48 PHE C . 17513 2 196 . 1 1 48 48 PHE CA C 13 57.616 0.007 . 1 . 321 . . 48 PHE CA . 17513 2 197 . 1 1 48 48 PHE CB C 13 39.802 . . 1 . 323 . . 48 PHE CB . 17513 2 198 . 1 1 48 48 PHE N N 15 122.495 0.046 . 1 . 320 . . 48 PHE N . 17513 2 199 . 1 1 49 49 VAL H H 1 8.286 0.001 . 1 . 33 . . 49 VAL H . 17513 2 200 . 1 1 49 49 VAL C C 13 175.317 0.018 . 1 . 413 . . 49 VAL C . 17513 2 201 . 1 1 49 49 VAL CA C 13 61.939 0.042 . 1 . 322 . . 49 VAL CA . 17513 2 202 . 1 1 49 49 VAL CB C 13 33.084 . . 1 . 324 . . 49 VAL CB . 17513 2 203 . 1 1 49 49 VAL N N 15 123.800 0.041 . 1 . 34 . . 49 VAL N . 17513 2 204 . 1 1 50 50 LYS H H 1 8.501 0.002 . 1 . 470 . . 50 LYS H . 17513 2 205 . 1 1 50 50 LYS C C 13 176.277 . . 1 . 472 . . 50 LYS C . 17513 2 206 . 1 1 50 50 LYS CA C 13 56.214 0.033 . 1 . 466 . . 50 LYS CA . 17513 2 207 . 1 1 50 50 LYS CB C 13 33.083 0.155 . 1 . 467 . . 50 LYS CB . 17513 2 208 . 1 1 50 50 LYS N N 15 126.704 0.098 . 1 . 471 . . 50 LYS N . 17513 2 209 . 1 1 51 51 ILE H H 1 8.566 0.001 . 1 . 462 . . 51 ILE H . 17513 2 210 . 1 1 51 51 ILE CA C 13 60.935 . . 1 . 465 . . 51 ILE CA . 17513 2 211 . 1 1 51 51 ILE CB C 13 38.696 . . 1 . 464 . . 51 ILE CB . 17513 2 212 . 1 1 51 51 ILE N N 15 124.742 0.059 . 1 . 463 . . 51 ILE N . 17513 2 213 . 1 1 52 52 THR H H 1 8.426 0.003 . 1 . 399 . . 52 THR H . 17513 2 214 . 1 1 52 52 THR C C 13 174.104 0.009 . 1 . 406 . . 52 THR C . 17513 2 215 . 1 1 52 52 THR CA C 13 61.505 0.001 . 1 . 402 . . 52 THR CA . 17513 2 216 . 1 1 52 52 THR CB C 13 69.673 0.055 . 1 . 401 . . 52 THR CB . 17513 2 217 . 1 1 52 52 THR N N 15 119.563 0.036 . 1 . 400 . . 52 THR N . 17513 2 218 . 1 1 53 53 GLU H H 1 8.523 0.004 . 1 . 405 . . 53 GLU H . 17513 2 219 . 1 1 53 53 GLU C C 13 175.786 0.004 . 1 . 407 . . 53 GLU C . 17513 2 220 . 1 1 53 53 GLU CB C 13 30.532 0.01 . 1 . 606 . . 53 GLU CB . 17513 2 221 . 1 1 53 53 GLU N N 15 123.958 0.057 . 1 . 404 . . 53 GLU N . 17513 2 222 . 1 1 54 54 HIS H H 1 8.661 0.003 . 1 . 408 . . 54 HIS H . 17513 2 223 . 1 1 54 54 HIS C C 13 172.973 . . 1 . 410 . . 54 HIS C . 17513 2 224 . 1 1 54 54 HIS CB C 13 29.674 . . 1 . 412 . . 54 HIS CB . 17513 2 225 . 1 1 54 54 HIS N N 15 120.409 0.031 . 1 . 409 . . 54 HIS N . 17513 2 226 . 1 1 55 55 PRO C C 13 176.741 . . 1 . 386 . . 55 PRO C . 17513 2 227 . 1 1 55 55 PRO CA C 13 63.469 . . 1 . 385 . . 55 PRO CA . 17513 2 228 . 1 1 56 56 ASP H H 1 8.831 0.002 . 1 . 85 . . 56 ASP H . 17513 2 229 . 1 1 56 56 ASP C C 13 176.866 0.036 . 1 . 180 . . 56 ASP C . 17513 2 230 . 1 1 56 56 ASP CA C 13 54.316 . . 1 . 178 . . 56 ASP CA . 17513 2 231 . 1 1 56 56 ASP CB C 13 41.404 0.037 . 1 . 177 . . 56 ASP CB . 17513 2 232 . 1 1 56 56 ASP N N 15 121.137 0.044 . 1 . 86 . . 56 ASP N . 17513 2 233 . 1 1 57 57 GLY H H 1 8.454 0.002 . 1 . 153 . . 57 GLY H . 17513 2 234 . 1 1 57 57 GLY C C 13 174.532 0.008 . 1 . 176 . . 57 GLY C . 17513 2 235 . 1 1 57 57 GLY CA C 13 45.516 0.035 . 1 . 175 . . 57 GLY CA . 17513 2 236 . 1 1 57 57 GLY N N 15 109.407 0.04 . 1 . 154 . . 57 GLY N . 17513 2 237 . 1 1 58 58 THR H H 1 8.203 0.001 . 1 . 129 . . 58 THR H . 17513 2 238 . 1 1 58 58 THR C C 13 174.355 . . 1 . 179 . . 58 THR C . 17513 2 239 . 1 1 58 58 THR CA C 13 62.046 0.004 . 1 . 173 . . 58 THR CA . 17513 2 240 . 1 1 58 58 THR CB C 13 69.788 0.012 . 1 . 174 . . 58 THR CB . 17513 2 241 . 1 1 58 58 THR N N 15 113.230 0.039 . 1 . 130 . . 58 THR N . 17513 2 242 . 1 1 59 59 ASP H H 1 8.548 0.001 . 1 . 54 . . 59 ASP H . 17513 2 243 . 1 1 59 59 ASP C C 13 175.882 0.005 . 1 . 237 . . 59 ASP C . 17513 2 244 . 1 1 59 59 ASP CA C 13 54.348 0.06 . 1 . 235 . . 59 ASP CA . 17513 2 245 . 1 1 59 59 ASP CB C 13 41.048 0.027 . 1 . 236 . . 59 ASP CB . 17513 2 246 . 1 1 59 59 ASP N N 15 122.648 0.045 . 1 . 55 . . 59 ASP N . 17513 2 247 . 1 1 60 60 LEU H H 1 8.236 . . 1 . 52 . . 60 LEU H . 17513 2 248 . 1 1 60 60 LEU C C 13 176.733 0.003 . 1 . 524 . . 60 LEU C . 17513 2 249 . 1 1 60 60 LEU CA C 13 55.079 0.029 . 1 . 437 . . 60 LEU CA . 17513 2 250 . 1 1 60 60 LEU CB C 13 42.156 0.067 . 1 . 491 . . 60 LEU CB . 17513 2 251 . 1 1 60 60 LEU N N 15 122.502 0.082 . 1 . 53 . . 60 LEU N . 17513 2 252 . 1 1 61 61 ILE H H 1 8.236 0.002 . 1 . 537 . . 61 ILE H . 17513 2 253 . 1 1 61 61 ILE C C 13 175.297 0.007 . 1 . 540 . . 61 ILE C . 17513 2 254 . 1 1 61 61 ILE CA C 13 60.811 0.001 . 1 . 539 . . 61 ILE CA . 17513 2 255 . 1 1 61 61 ILE CB C 13 38.531 0.053 . 1 . 529 . . 61 ILE CB . 17513 2 256 . 1 1 61 61 ILE N N 15 122.691 0.04 . 1 . 538 . . 61 ILE N . 17513 2 257 . 1 1 62 62 TYR H H 1 8.342 0.003 . 1 . 17 . . 62 TYR H . 17513 2 258 . 1 1 62 62 TYR C C 13 174.589 0.036 . 1 . 492 . . 62 TYR C . 17513 2 259 . 1 1 62 62 TYR CA C 13 57.307 0.071 . 1 . 499 . . 62 TYR CA . 17513 2 260 . 1 1 62 62 TYR CB C 13 39.561 0.018 . 1 . 541 . . 62 TYR CB . 17513 2 261 . 1 1 62 62 TYR N N 15 125.395 0.055 . 1 . 18 . . 62 TYR N . 17513 2 262 . 1 1 63 63 TYR H H 1 8.354 0.003 . 1 . 495 . . 63 TYR H . 17513 2 263 . 1 1 63 63 TYR C C 13 173.475 . . 1 . 497 . . 63 TYR C . 17513 2 264 . 1 1 63 63 TYR CA C 13 55.435 . . 1 . 544 . . 63 TYR CA . 17513 2 265 . 1 1 63 63 TYR CB C 13 39.095 . . 1 . 545 . . 63 TYR CB . 17513 2 266 . 1 1 63 63 TYR N N 15 124.944 0.056 . 1 . 496 . . 63 TYR N . 17513 2 267 . 1 1 64 64 PRO C C 13 176.777 . . 1 . 263 . . 64 PRO C . 17513 2 268 . 1 1 64 64 PRO CA C 13 63.046 . . 1 . 259 . . 64 PRO CA . 17513 2 269 . 1 1 64 64 PRO CB C 13 32.146 . . 1 . 261 . . 64 PRO CB . 17513 2 270 . 1 1 65 65 SER H H 1 8.518 0.001 . 1 . 125 . . 65 SER H . 17513 2 271 . 1 1 65 65 SER C C 13 174.347 0.001 . 1 . 265 . . 65 SER C . 17513 2 272 . 1 1 65 65 SER CA C 13 58.266 0.004 . 1 . 258 . . 65 SER CA . 17513 2 273 . 1 1 65 65 SER CB C 13 63.875 0.003 . 1 . 260 . . 65 SER CB . 17513 2 274 . 1 1 65 65 SER N N 15 116.073 0.038 . 1 . 126 . . 65 SER N . 17513 2 275 . 1 1 66 66 ASP H H 1 8.512 0.001 . 1 . 58 . . 66 ASP H . 17513 2 276 . 1 1 66 66 ASP C C 13 175.886 . . 1 . 266 . . 66 ASP C . 17513 2 277 . 1 1 66 66 ASP CA C 13 54.165 0.045 . 1 . 267 . . 66 ASP CA . 17513 2 278 . 1 1 66 66 ASP CB C 13 41.265 0.014 . 1 . 264 . . 66 ASP CB . 17513 2 279 . 1 1 66 66 ASP N N 15 122.529 0.041 . 1 . 59 . . 66 ASP N . 17513 2 280 . 1 1 67 67 ASN H H 1 8.482 0.001 . 1 . 113 . . 67 ASN H . 17513 2 281 . 1 1 67 67 ASN C C 13 175.390 0.003 . 1 . 417 . . 67 ASN C . 17513 2 282 . 1 1 67 67 ASN CA C 13 53.183 0.103 . 1 . 416 . . 67 ASN CA . 17513 2 283 . 1 1 67 67 ASN CB C 13 38.807 0.041 . 1 . 415 . . 67 ASN CB . 17513 2 284 . 1 1 67 67 ASN N N 15 119.562 0.035 . 1 . 114 . . 67 ASN N . 17513 2 285 . 1 1 68 68 ARG H H 1 8.477 0.003 . 1 . 69 . . 68 ARG H . 17513 2 286 . 1 1 68 68 ARG C C 13 176.170 0.01 . 1 . 423 . . 68 ARG C . 17513 2 287 . 1 1 68 68 ARG CA C 13 56.443 0.01 . 1 . 420 . . 68 ARG CA . 17513 2 288 . 1 1 68 68 ARG CB C 13 30.864 0.044 . 1 . 422 . . 68 ARG CB . 17513 2 289 . 1 1 68 68 ARG N N 15 121.929 0.049 . 1 . 70 . . 68 ARG N . 17513 2 290 . 1 1 69 69 ASP H H 1 8.501 0.001 . 1 . 81 . . 69 ASP H . 17513 2 291 . 1 1 69 69 ASP C C 13 175.858 0.009 . 1 . 426 . . 69 ASP C . 17513 2 292 . 1 1 69 69 ASP CA C 13 54.292 0.082 . 1 . 424 . . 69 ASP CA . 17513 2 293 . 1 1 69 69 ASP CB C 13 41.144 0.028 . 1 . 425 . . 69 ASP CB . 17513 2 294 . 1 1 69 69 ASP N N 15 121.368 0.04 . 1 . 82 . . 69 ASP N . 17513 2 295 . 1 1 70 70 ASP H H 1 8.328 0.001 . 1 . 89 . . 70 ASP H . 17513 2 296 . 1 1 70 70 ASP C C 13 176.036 0.011 . 1 . 268 . . 70 ASP C . 17513 2 297 . 1 1 70 70 ASP CA C 13 53.926 0.032 . 1 . 282 . . 70 ASP CA . 17513 2 298 . 1 1 70 70 ASP CB C 13 41.077 0.039 . 1 . 283 . . 70 ASP CB . 17513 2 299 . 1 1 70 70 ASP N N 15 121.141 0.039 . 1 . 90 . . 70 ASP N . 17513 2 300 . 1 1 71 71 SER H H 1 8.345 0.002 . 1 . 119 . . 71 SER H . 17513 2 301 . 1 1 71 71 SER C C 13 172.957 . . 1 . 279 . . 71 SER C . 17513 2 302 . 1 1 71 71 SER CA C 13 56.752 . . 1 . 281 . . 71 SER CA . 17513 2 303 . 1 1 71 71 SER CB C 13 63.118 . . 1 . 280 . . 71 SER CB . 17513 2 304 . 1 1 71 71 SER N N 15 117.214 0.042 . 1 . 120 . . 71 SER N . 17513 2 305 . 1 1 72 72 PRO CA C 13 63.487 . . 1 . 224 . . 72 PRO CA . 17513 2 306 . 1 1 72 72 PRO CB C 13 32.025 . . 1 . 225 . . 72 PRO CB . 17513 2 307 . 1 1 73 73 GLU H H 1 8.581 0.001 . 1 . 97 . . 73 GLU H . 17513 2 308 . 1 1 73 73 GLU C C 13 177.044 0.008 . 1 . 218 . . 73 GLU C . 17513 2 309 . 1 1 73 73 GLU CA C 13 56.835 0.034 . 1 . 221 . . 73 GLU CA . 17513 2 310 . 1 1 73 73 GLU CB C 13 30.274 0.058 . 1 . 222 . . 73 GLU CB . 17513 2 311 . 1 1 73 73 GLU N N 15 120.623 0.043 . 1 . 98 . . 73 GLU N . 17513 2 312 . 1 1 74 74 GLY H H 1 8.397 0.001 . 1 . 149 . . 74 GLY H . 17513 2 313 . 1 1 74 74 GLY C C 13 173.763 0.005 . 1 . 219 . . 74 GLY C . 17513 2 314 . 1 1 74 74 GLY CA C 13 45.200 0.02 . 1 . 220 . . 74 GLY CA . 17513 2 315 . 1 1 74 74 GLY N N 15 109.876 0.04 . 1 . 150 . . 74 GLY N . 17513 2 316 . 1 1 75 75 ILE H H 1 8.024 0.001 . 1 . 107 . . 75 ILE H . 17513 2 317 . 1 1 75 75 ILE C C 13 176.227 0.009 . 1 . 228 . . 75 ILE C . 17513 2 318 . 1 1 75 75 ILE CA C 13 60.970 0.003 . 1 . 226 . . 75 ILE CA . 17513 2 319 . 1 1 75 75 ILE CB C 13 38.736 0.054 . 1 . 227 . . 75 ILE CB . 17513 2 320 . 1 1 75 75 ILE N N 15 120.420 0.038 . 1 . 108 . . 75 ILE N . 17513 2 321 . 1 1 76 76 VAL H H 1 8.415 0.003 . 1 . 512 . . 76 VAL H . 17513 2 322 . 1 1 76 76 VAL C C 13 176.012 0.011 . 1 . 516 . . 76 VAL C . 17513 2 323 . 1 1 76 76 VAL CA C 13 62.293 . . 1 . 594 . . 76 VAL CA . 17513 2 324 . 1 1 76 76 VAL CB C 13 32.649 0.034 . 1 . 608 . . 76 VAL CB . 17513 2 325 . 1 1 76 76 VAL N N 15 125.925 0.094 . 1 . 513 . . 76 VAL N . 17513 2 326 . 1 1 77 77 LYS H H 1 8.578 0.004 . 1 . 455 . . 77 LYS H . 17513 2 327 . 1 1 77 77 LYS C C 13 176.230 0.005 . 1 . 515 . . 77 LYS C . 17513 2 328 . 1 1 77 77 LYS CA C 13 56.200 . . 1 . 458 . . 77 LYS CA . 17513 2 329 . 1 1 77 77 LYS CB C 13 33.177 0.038 . 1 . 457 . . 77 LYS CB . 17513 2 330 . 1 1 77 77 LYS N N 15 126.840 0.046 . 1 . 456 . . 77 LYS N . 17513 2 331 . 1 1 78 78 GLU H H 1 8.581 0.003 . 1 . 460 . . 78 GLU H . 17513 2 332 . 1 1 78 78 GLU C C 13 176.171 0.02 . 1 . 563 . . 78 GLU C . 17513 2 333 . 1 1 78 78 GLU CA C 13 56.321 0.014 . 1 . 609 . . 78 GLU CA . 17513 2 334 . 1 1 78 78 GLU CB C 13 30.423 0.023 . 1 . 560 . . 78 GLU CB . 17513 2 335 . 1 1 78 78 GLU N N 15 123.334 0.064 . 1 . 461 . . 78 GLU N . 17513 2 336 . 1 1 79 79 ILE H H 1 8.495 0.004 . 1 . 447 . . 79 ILE H . 17513 2 337 . 1 1 79 79 ILE C C 13 176.152 . . 1 . 617 . . 79 ILE C . 17513 2 338 . 1 1 79 79 ILE CA C 13 60.955 0.009 . 1 . 613 . . 79 ILE CA . 17513 2 339 . 1 1 79 79 ILE CB C 13 38.497 0.029 . 1 . 612 . . 79 ILE CB . 17513 2 340 . 1 1 79 79 ILE N N 15 124.073 0.052 . 1 . 448 . . 79 ILE N . 17513 2 341 . 1 1 80 80 LYS H H 1 8.595 0.003 . 1 . 614 . . 80 LYS H . 17513 2 342 . 1 1 80 80 LYS C C 13 176.237 0.002 . 1 . 618 . . 80 LYS C . 17513 2 343 . 1 1 80 80 LYS CB C 13 33.176 . . 1 . 616 . . 80 LYS CB . 17513 2 344 . 1 1 80 80 LYS N N 15 126.847 0.053 . 1 . 615 . . 80 LYS N . 17513 2 345 . 1 1 81 81 GLU H H 1 8.579 0.004 . 1 . 597 . . 81 GLU H . 17513 2 346 . 1 1 81 81 GLU C C 13 175.921 . . 1 . 595 . . 81 GLU C . 17513 2 347 . 1 1 81 81 GLU N N 15 122.957 0.014 . 1 . 619 . . 81 GLU N . 17513 2 348 . 1 1 82 82 TRP H H 1 8.488 0.003 . 1 . 31 . . 82 TRP H . 17513 2 349 . 1 1 82 82 TRP C C 13 175.996 0.01 . 1 . 213 . . 82 TRP C . 17513 2 350 . 1 1 82 82 TRP CA C 13 57.761 0.004 . 1 . 214 . . 82 TRP CA . 17513 2 351 . 1 1 82 82 TRP CB C 13 29.579 . . 1 . 215 . . 82 TRP CB . 17513 2 352 . 1 1 82 82 TRP N N 15 124.030 0.019 . 1 . 32 . . 82 TRP N . 17513 2 353 . 1 1 83 83 ARG H H 1 8.140 0.002 . 1 . 568 . . 83 ARG H . 17513 2 354 . 1 1 83 83 ARG C C 13 175.281 0.005 . 1 . 209 . . 83 ARG C . 17513 2 355 . 1 1 83 83 ARG CA C 13 55.485 . . 1 . 533 . . 83 ARG CA . 17513 2 356 . 1 1 83 83 ARG CB C 13 31.459 0.026 . 1 . 212 . . 83 ARG CB . 17513 2 357 . 1 1 83 83 ARG N N 15 124.315 0.054 . 1 . 569 . . 83 ARG N . 17513 2 358 . 1 1 84 84 ALA H H 1 8.237 0.001 . 1 . 15 . . 84 ALA H . 17513 2 359 . 1 1 84 84 ALA C C 13 177.658 . . 1 . 210 . . 84 ALA C . 17513 2 360 . 1 1 84 84 ALA CA C 13 52.303 0.047 . 1 . 207 . . 84 ALA CA . 17513 2 361 . 1 1 84 84 ALA CB C 13 19.135 0.055 . 1 . 208 . . 84 ALA CB . 17513 2 362 . 1 1 84 84 ALA N N 15 125.602 0.051 . 1 . 16 . . 84 ALA N . 17513 2 363 . 1 1 85 85 ALA H H 1 8.446 0.002 . 1 . 35 . . 85 ALA H . 17513 2 364 . 1 1 85 85 ALA C C 13 177.581 0.015 . 1 . 204 . . 85 ALA C . 17513 2 365 . 1 1 85 85 ALA CA C 13 52.559 0.027 . 1 . 205 . . 85 ALA CA . 17513 2 366 . 1 1 85 85 ALA CB C 13 19.093 0.013 . 1 . 206 . . 85 ALA CB . 17513 2 367 . 1 1 85 85 ALA N N 15 123.780 0.07 . 1 . 36 . . 85 ALA N . 17513 2 368 . 1 1 86 86 ASN H H 1 8.402 0.001 . 1 . 115 . . 86 ASN H . 17513 2 369 . 1 1 86 86 ASN C C 13 175.700 0.0 . 1 . 201 . . 86 ASN C . 17513 2 370 . 1 1 86 86 ASN CA C 13 53.026 0.018 . 1 . 199 . . 86 ASN CA . 17513 2 371 . 1 1 86 86 ASN CB C 13 38.841 0.047 . 1 . 198 . . 86 ASN CB . 17513 2 372 . 1 1 86 86 ASN N N 15 117.620 0.043 . 1 . 116 . . 86 ASN N . 17513 2 373 . 1 1 87 87 GLY H H 1 8.342 0.003 . 1 . 155 . . 87 GLY H . 17513 2 374 . 1 1 87 87 GLY C C 13 173.551 0.005 . 1 . 200 . . 87 GLY C . 17513 2 375 . 1 1 87 87 GLY CA C 13 45.081 0.036 . 1 . 197 . . 87 GLY CA . 17513 2 376 . 1 1 87 87 GLY N N 15 109.013 0.046 . 1 . 156 . . 87 GLY N . 17513 2 377 . 1 1 88 88 LYS H H 1 8.255 0.001 . 1 . 67 . . 88 LYS H . 17513 2 378 . 1 1 88 88 LYS CA C 13 54.318 . . 1 . 202 . . 88 LYS CA . 17513 2 379 . 1 1 88 88 LYS CB C 13 32.597 . . 1 . 203 . . 88 LYS CB . 17513 2 380 . 1 1 88 88 LYS N N 15 121.967 0.036 . 1 . 68 . . 88 LYS N . 17513 2 381 . 1 1 89 89 PRO C C 13 177.340 . . 1 . 182 . . 89 PRO C . 17513 2 382 . 1 1 89 89 PRO CA C 13 63.279 . . 1 . 185 . . 89 PRO CA . 17513 2 383 . 1 1 89 89 PRO CB C 13 32.132 . . 1 . 184 . . 89 PRO CB . 17513 2 384 . 1 1 90 90 GLY H H 1 8.557 0.001 . 1 . 151 . . 90 GLY H . 17513 2 385 . 1 1 90 90 GLY C C 13 173.677 0.015 . 1 . 181 . . 90 GLY C . 17513 2 386 . 1 1 90 90 GLY CA C 13 45.016 0.007 . 1 . 183 . . 90 GLY CA . 17513 2 387 . 1 1 90 90 GLY N N 15 109.461 0.039 . 1 . 152 . . 90 GLY N . 17513 2 388 . 1 1 91 91 PHE H H 1 8.213 0.001 . 1 . 101 . . 91 PHE H . 17513 2 389 . 1 1 91 91 PHE C C 13 175.536 0.004 . 1 . 188 . . 91 PHE C . 17513 2 390 . 1 1 91 91 PHE CA C 13 57.721 0.001 . 1 . 186 . . 91 PHE CA . 17513 2 391 . 1 1 91 91 PHE CB C 13 39.879 0.001 . 1 . 187 . . 91 PHE CB . 17513 2 392 . 1 1 91 91 PHE N N 15 120.498 0.037 . 1 . 102 . . 91 PHE N . 17513 2 393 . 1 1 92 92 LYS H H 1 8.463 0.001 . 1 . 23 . . 92 LYS H . 17513 2 394 . 1 1 92 92 LYS C C 13 175.868 0.005 . 1 . 189 . . 92 LYS C . 17513 2 395 . 1 1 92 92 LYS CA C 13 56.177 0.029 . 1 . 190 . . 92 LYS CA . 17513 2 396 . 1 1 92 92 LYS CB C 13 33.295 0.017 . 1 . 191 . . 92 LYS CB . 17513 2 397 . 1 1 92 92 LYS N N 15 124.646 0.043 . 1 . 24 . . 92 LYS N . 17513 2 398 . 1 1 93 93 GLN H H 1 8.540 0.001 . 1 . 43 . . 93 GLN H . 17513 2 399 . 1 1 93 93 GLN C C 13 175.389 0.005 . 1 . 195 . . 93 GLN C . 17513 2 400 . 1 1 93 93 GLN CA C 13 55.799 0.007 . 1 . 193 . . 93 GLN CA . 17513 2 401 . 1 1 93 93 GLN CB C 13 29.889 0.02 . 1 . 194 . . 93 GLN CB . 17513 2 402 . 1 1 93 93 GLN N N 15 123.268 0.037 . 1 . 44 . . 93 GLN N . 17513 2 403 . 1 1 94 94 GLY H H 1 8.250 0.001 . 1 . 117 . . 94 GLY H . 17513 2 404 . 1 1 94 94 GLY C C 13 179.000 . . 1 . 196 . . 94 GLY C . 17513 2 405 . 1 1 94 94 GLY CA C 13 46.231 . . 1 . 192 . . 94 GLY CA . 17513 2 406 . 1 1 94 94 GLY N N 15 117.336 0.038 . 1 . 118 . . 94 GLY N . 17513 2 stop_ save_