################################### # 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 25684 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $2 _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 11 '2D 1H-1H NOESY' 3 $wr18_39 isotropic 25684 1 13 '2D 1H-1H TOCSY' 1 $wr10_43_1 isotropic 25684 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 . . 25684 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 15 15 SER H H 1 8.726 0.001 . 1 . . 33 . . 19 SER H . 25684 1 2 . 1 1 15 15 SER HA H 1 4.445 . . 1 . . 224 . . 19 SER HA . 25684 1 3 . 1 1 15 15 SER HB2 H 1 3.783 . . 2 . . 225 . . 19 SER HB2 . 25684 1 4 . 1 1 15 15 SER HB3 H 1 3.808 . . 2 . . 404 . . 19 SER HB3 . 25684 1 5 . 1 1 16 16 GLY H H 1 8.600 0.001 . 1 . . 23 . . 20 GLY H . 25684 1 6 . 1 1 16 16 GLY HA2 H 1 3.973 0.0 . 1 . . 226 . . 20 GLY HA2 . 25684 1 7 . 1 1 16 16 GLY HA3 H 1 3.973 0.0 . 1 . . 312 . . 20 GLY HA3 . 25684 1 8 . 1 1 17 17 TRP H H 1 8.360 0.001 . 1 . . 21 . . 21 TRP H . 25684 1 9 . 1 1 17 17 TRP HA H 1 4.438 0.0 . 1 . . 227 . . 21 TRP HA . 25684 1 10 . 1 1 17 17 TRP HB2 H 1 3.313 0.001 . 2 . . 228 . . 21 TRP HB2 . 25684 1 11 . 1 1 17 17 TRP HB3 H 1 3.195 0.001 . 2 . . 386 . . 21 TRP HB3 . 25684 1 12 . 1 1 17 17 TRP HD1 H 1 7.408 0.001 . 1 . . 403 . . 21 TRP HD1 . 25684 1 13 . 1 1 17 17 TRP HE1 H 1 10.635 0.005 . 1 . . 406 . . 21 TRP HE1 . 25684 1 14 . 1 1 17 17 TRP HZ2 H 1 7.371 0.002 . 1 . . 392 . . 21 TRP HZ2 . 25684 1 15 . 1 1 18 18 LEU H H 1 7.986 0.002 . 1 . . 17 . . 22 LEU H . 25684 1 16 . 1 1 18 18 LEU HA H 1 3.957 0.002 . 1 . . 229 . . 22 LEU HA . 25684 1 17 . 1 1 18 18 LEU HB2 H 1 1.265 0.002 . 2 . . 230 . . 22 LEU HB2 . 25684 1 18 . 1 1 18 18 LEU HB3 H 1 1.391 0.001 . 2 . . 355 . . 22 LEU HB3 . 25684 1 19 . 1 1 18 18 LEU HD11 H 1 0.529 0.001 . 1 . . 341 . . 22 LEU HD11 . 25684 1 20 . 1 1 18 18 LEU HD12 H 1 0.529 0.001 . 1 . . 341 . . 22 LEU HD12 . 25684 1 21 . 1 1 18 18 LEU HD13 H 1 0.529 0.001 . 1 . . 341 . . 22 LEU HD13 . 25684 1 22 . 1 1 18 18 LEU HD21 H 1 0.675 0.002 . 1 . . 381 . . 22 LEU HD21 . 25684 1 23 . 1 1 18 18 LEU HD22 H 1 0.675 0.002 . 1 . . 381 . . 22 LEU HD22 . 25684 1 24 . 1 1 18 18 LEU HD23 H 1 0.675 0.002 . 1 . . 381 . . 22 LEU HD23 . 25684 1 25 . 1 1 19 19 THR H H 1 7.674 0.001 . 1 . . 1 . . 23 THR H . 25684 1 26 . 1 1 19 19 THR HA H 1 3.916 0.001 . 1 . . 233 . . 23 THR HA . 25684 1 27 . 1 1 19 19 THR HB H 1 4.125 0.001 . 1 . . 314 . . 23 THR HB . 25684 1 28 . 1 1 19 19 THR HG21 H 1 1.132 0.0 . 1 . . 317 . . 23 THR HG21 . 25684 1 29 . 1 1 19 19 THR HG22 H 1 1.132 0.0 . 1 . . 317 . . 23 THR HG22 . 25684 1 30 . 1 1 19 19 THR HG23 H 1 1.132 0.0 . 1 . . 317 . . 23 THR HG23 . 25684 1 31 . 1 1 20 20 GLY H H 1 8.271 0.002 . 1 . . 313 . . 24 GLY H . 25684 1 32 . 1 1 20 20 GLY HA2 H 1 3.818 0.001 . 1 . . 235 . . 24 GLY HA2 . 25684 1 33 . 1 1 20 20 GLY HA3 H 1 3.818 0.001 . 1 . . 315 . . 24 GLY HA3 . 25684 1 34 . 1 1 21 21 TRP H H 1 7.727 0.002 . 1 . . 3 . . 25 TRP H . 25684 1 35 . 1 1 21 21 TRP HA H 1 4.402 . . 1 . . 238 . . 25 TRP HA . 25684 1 36 . 1 1 21 21 TRP HB2 H 1 3.092 0.001 . 2 . . 236 . . 25 TRP HB2 . 25684 1 37 . 1 1 21 21 TRP HB3 H 1 3.230 0.0 . 2 . . 237 . . 25 TRP HB3 . 25684 1 38 . 1 1 21 21 TRP HD1 H 1 7.170 0.002 . 1 . . 405 . . 25 TRP HD1 . 25684 1 39 . 1 1 21 21 TRP HE1 H 1 10.184 0.001 . 1 . . 407 . . 25 TRP HE1 . 25684 1 40 . 1 1 21 21 TRP HZ2 H 1 7.381 . . 1 . . 391 . . 25 TRP HZ2 . 25684 1 41 . 1 1 22 22 LEU H H 1 7.259 0.001 . 1 . . 158 . . 26 LEU H . 25684 1 42 . 1 1 22 22 LEU HA H 1 4.197 0.002 . 1 . . 387 . . 26 LEU HA . 25684 1 43 . 1 1 22 22 LEU HB2 H 1 1.472 0.001 . 2 . . 309 . . 26 LEU HB2 . 25684 1 44 . 1 1 22 22 LEU HB3 H 1 1.515 0.001 . 2 . . 362 . . 26 LEU HB3 . 25684 1 45 . 1 1 22 22 LEU HG H 1 1.262 0.001 . 1 . . 370 . . 26 LEU HG . 25684 1 46 . 1 1 22 22 LEU HD11 H 1 0.765 0.001 . 2 . . 408 . . 26 LEU HD11 . 25684 1 47 . 1 1 22 22 LEU HD12 H 1 0.765 0.001 . 2 . . 408 . . 26 LEU HD12 . 25684 1 48 . 1 1 22 22 LEU HD13 H 1 0.765 0.001 . 2 . . 408 . . 26 LEU HD13 . 25684 1 49 . 1 1 22 22 LEU HD21 H 1 0.699 0.001 . 1 . . 414 . . 26 LEU HD21 . 25684 1 50 . 1 1 22 22 LEU HD22 H 1 0.699 0.001 . 1 . . 414 . . 26 LEU HD22 . 25684 1 51 . 1 1 22 22 LEU HD23 H 1 0.699 0.001 . 1 . . 414 . . 26 LEU HD23 . 25684 1 52 . 1 1 23 23 PRO HA H 1 4.321 0.0 . 1 . . 371 . . 27 PRO HA . 25684 1 53 . 1 1 23 23 PRO HB2 H 1 1.728 0.161 . 1 . . 372 . . 27 PRO HB2 . 25684 1 54 . 1 1 23 23 PRO HB3 H 1 1.728 0.161 . 1 . . 373 . . 27 PRO HB3 . 25684 1 55 . 1 1 23 23 PRO HG2 H 1 1.369 0.001 . 1 . . 331 . . 27 PRO HG2 . 25684 1 56 . 1 1 23 23 PRO HG3 H 1 1.369 0.001 . 1 . . 342 . . 27 PRO HG3 . 25684 1 57 . 1 1 23 23 PRO HD2 H 1 3.588 0.001 . 1 . . 375 . . 27 PRO HD2 . 25684 1 58 . 1 1 23 23 PRO HD3 H 1 3.588 0.001 . 1 . . 388 . . 27 PRO HD3 . 25684 1 59 . 1 1 24 24 THR H H 1 8.440 0.002 . 1 . . 399 . . 28 THR H . 25684 1 60 . 1 1 24 24 THR HA H 1 3.971 0.002 . 1 . . 401 . . 28 THR HA . 25684 1 61 . 1 1 24 24 THR HB H 1 4.170 0.001 . 1 . . 296 . . 28 THR HB . 25684 1 62 . 1 1 24 24 THR HG21 H 1 1.177 0.0 . 1 . . 402 . . 28 THR HG21 . 25684 1 63 . 1 1 24 24 THR HG22 H 1 1.177 0.0 . 1 . . 402 . . 28 THR HG22 . 25684 1 64 . 1 1 24 24 THR HG23 H 1 1.177 0.0 . 1 . . 402 . . 28 THR HG23 . 25684 1 65 . 1 1 25 25 TRP H H 1 7.147 0.001 . 1 . . 335 . . 29 TRP H . 25684 1 66 . 1 1 25 25 TRP HA H 1 4.541 . . 1 . . 384 . . 29 TRP HA . 25684 1 67 . 1 1 25 25 TRP HB2 H 1 3.368 0.003 . 2 . . 242 . . 29 TRP HB2 . 25684 1 68 . 1 1 25 25 TRP HB3 H 1 3.160 0.002 . 2 . . 243 . . 29 TRP HB3 . 25684 1 69 . 1 1 25 25 TRP HD1 H 1 7.287 0.001 . 1 . . 390 . . 29 TRP HD1 . 25684 1 70 . 1 1 25 25 TRP HE1 H 1 10.716 0.0 . 1 . . 385 . . 29 TRP HE1 . 25684 1 71 . 1 1 25 25 TRP HZ2 H 1 7.392 . . 1 . . 409 . . 29 TRP HZ2 . 25684 1 72 . 1 1 26 26 CYS H H 1 7.496 0.0 . 1 . . 400 . . 30 CYS H . 25684 1 73 . 1 1 26 26 CYS HA H 1 4.463 . . 1 . . 398 . . 30 CYS HA . 25684 1 74 . 1 1 26 26 CYS HB2 H 1 2.713 0.003 . 2 . . 290 . . 30 CYS HB2 . 25684 1 75 . 1 1 26 26 CYS HB3 H 1 2.275 0.006 . 2 . . 396 . . 30 CYS HB3 . 25684 1 76 . 1 1 27 27 PRO HA H 1 4.453 . . 1 . . 412 . . 31 PRO HA . 25684 1 77 . 1 1 27 27 PRO HB2 H 1 2.303 0.004 . 1 . . 246 . . 31 PRO HB2 . 25684 1 78 . 1 1 27 27 PRO HB3 H 1 2.303 0.004 . 1 . . 247 . . 31 PRO HB3 . 25684 1 79 . 1 1 27 27 PRO HG2 H 1 1.937 0.001 . 1 . . 394 . . 31 PRO HG2 . 25684 1 80 . 1 1 27 27 PRO HG3 H 1 1.937 0.001 . 1 . . 395 . . 31 PRO HG3 . 25684 1 81 . 1 1 27 27 PRO HD2 H 1 3.736 0.001 . 1 . . 245 . . 31 PRO HD2 . 25684 1 82 . 1 1 27 27 PRO HD3 H 1 3.736 0.001 . 1 . . 357 . . 31 PRO HD3 . 25684 1 83 . 1 1 28 28 THR H H 1 8.108 0.001 . 1 . . 124 . . 32 THR H . 25684 1 84 . 1 1 28 28 THR HA H 1 4.305 0.0 . 1 . . 411 . . 32 THR HA . 25684 1 85 . 1 1 28 28 THR HG21 H 1 1.109 . . 1 . . 250 . . 32 THR HG21 . 25684 1 86 . 1 1 28 28 THR HG22 H 1 1.109 . . 1 . . 250 . . 32 THR HG22 . 25684 1 87 . 1 1 28 28 THR HG23 H 1 1.109 . . 1 . . 250 . . 32 THR HG23 . 25684 1 88 . 1 1 29 29 SER H H 1 8.053 0.002 . 1 . . 119 . . 33 SER H . 25684 1 89 . 1 1 29 29 SER HA H 1 4.482 . . 1 . . 251 . . 33 SER HA . 25684 1 90 . 1 1 29 29 SER HB2 H 1 3.892 0.003 . 2 . . 252 . . 33 SER HB2 . 25684 1 91 . 1 1 29 29 SER HB3 H 1 3.749 0.001 . 2 . . 253 . . 33 SER HB3 . 25684 1 92 . 1 1 30 30 THR H H 1 8.267 0.002 . 1 . . 129 . . 34 THR H . 25684 1 93 . 1 1 30 30 THR HA H 1 4.262 0.001 . 1 . . 325 . . 34 THR HA . 25684 1 94 . 1 1 30 30 THR HG21 H 1 1.127 . . 1 . . 256 . . 34 THR HG21 . 25684 1 95 . 1 1 30 30 THR HG22 H 1 1.127 . . 1 . . 256 . . 34 THR HG22 . 25684 1 96 . 1 1 30 30 THR HG23 H 1 1.127 . . 1 . . 256 . . 34 THR HG23 . 25684 1 97 . 1 1 31 31 SER H H 1 8.127 0.002 . 1 . . 99 . . 35 SER H . 25684 1 98 . 1 1 31 31 SER HA H 1 4.269 0.0 . 1 . . 326 . . 35 SER HA . 25684 1 99 . 1 1 31 31 SER HB2 H 1 3.736 0.001 . 1 . . 291 . . 35 SER HB2 . 25684 1 100 . 1 1 32 32 HIS H H 1 8.357 0.002 . 1 . . 337 . . 36 HIS H . 25684 1 101 . 1 1 32 32 HIS HB2 H 1 3.257 0.001 . 2 . . 258 . . 36 HIS HB2 . 25684 1 102 . 1 1 32 32 HIS HB3 H 1 3.058 0.001 . 2 . . 259 . . 36 HIS HB3 . 25684 1 103 . 1 1 33 33 LEU H H 1 8.076 0.001 . 1 . . 27 . . 37 LEU H . 25684 1 104 . 1 1 33 33 LEU HA H 1 4.257 . . 1 . . 327 . . 37 LEU HA . 25684 1 105 . 1 1 33 33 LEU HB2 H 1 1.522 . . 2 . . 261 . . 37 LEU HB2 . 25684 1 106 . 1 1 33 33 LEU HB3 H 1 1.609 0.001 . 2 . . 262 . . 37 LEU HB3 . 25684 1 107 . 1 1 33 33 LEU HD11 H 1 0.858 . . 2 . . 264 . . 37 LEU HD11 . 25684 1 108 . 1 1 33 33 LEU HD12 H 1 0.858 . . 2 . . 264 . . 37 LEU HD12 . 25684 1 109 . 1 1 33 33 LEU HD13 H 1 0.858 . . 2 . . 264 . . 37 LEU HD13 . 25684 1 110 . 1 1 33 33 LEU HD21 H 1 0.809 0.001 . 2 . . 265 . . 37 LEU HD21 . 25684 1 111 . 1 1 33 33 LEU HD22 H 1 0.809 0.001 . 2 . . 265 . . 37 LEU HD22 . 25684 1 112 . 1 1 33 33 LEU HD23 H 1 0.809 0.001 . 2 . . 265 . . 37 LEU HD23 . 25684 1 113 . 1 1 34 34 LYS H H 1 8.082 0.002 . 1 . . 29 . . 38 LYS H . 25684 1 114 . 1 1 34 34 LYS HA H 1 4.274 . . 1 . . 266 . . 38 LYS HA . 25684 1 115 . 1 1 34 34 LYS HB2 H 1 1.675 . . 2 . . 272 . . 38 LYS HB2 . 25684 1 116 . 1 1 34 34 LYS HB3 H 1 1.793 . . 2 . . 273 . . 38 LYS HB3 . 25684 1 117 . 1 1 34 34 LYS HG2 H 1 1.353 . . 1 . . 268 . . 38 LYS HG2 . 25684 1 118 . 1 1 34 34 LYS HG3 H 1 1.353 . . 1 . . 269 . . 38 LYS HG3 . 25684 1 119 . 1 1 35 35 GLU H H 1 7.924 0.002 . 1 . . 39 . . 39 GLU H . 25684 1 120 . 1 1 35 35 GLU HA H 1 4.077 0.0 . 1 . . 274 . . 39 GLU HA . 25684 1 121 . 1 1 35 35 GLU HB2 H 1 1.828 0.002 . 1 . . 275 . . 39 GLU HB2 . 25684 1 122 . 1 1 35 35 GLU HB3 H 1 1.828 0.002 . 1 . . 276 . . 39 GLU HB3 . 25684 1 123 . 1 1 35 35 GLU HG2 H 1 2.206 . . 2 . . 277 . . 39 GLU HG2 . 25684 1 124 . 1 1 35 35 GLU HG3 H 1 1.998 0.003 . 2 . . 413 . . 39 GLU HG3 . 25684 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_assigned_chem_shift_list_1_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1_2 _Assigned_chem_shift_list.Entry_ID 25684 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $1 _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 9 '2D 1H-13C HSQC/HMQC' 2 $wr10_43_D2O isotropic 25684 2 10 '3D 1H-13C NOESY' 2 $wr10_43_D2O isotropic 25684 2 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 . . 25684 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA HA H 1 4.423 0.001 . 1 . . 193 . . 6 ALA HA . 25684 2 2 . 1 1 2 2 ALA HB1 H 1 1.440 0.0 . 1 . . 194 . . 6 ALA HB1 . 25684 2 3 . 1 1 2 2 ALA HB2 H 1 1.440 0.0 . 1 . . 194 . . 6 ALA HB2 . 25684 2 4 . 1 1 2 2 ALA HB3 H 1 1.440 0.0 . 1 . . 194 . . 6 ALA HB3 . 25684 2 5 . 1 1 2 2 ALA CA C 13 52.208 . . 1 . . 73 . . 6 ALA CA . 25684 2 6 . 1 1 2 2 ALA CB C 13 18.684 . . 1 . . 159 . . 6 ALA CB . 25684 2 7 . 1 1 3 3 MET HA H 1 4.526 0.001 . 1 . . 195 . . 7 MET HA . 25684 2 8 . 1 1 3 3 MET HB2 H 1 2.664 0.029 . 2 . . 198 . . 7 MET HB2 . 25684 2 9 . 1 1 3 3 MET HB3 H 1 2.615 0.0 . 2 . . 361 . . 7 MET HB3 . 25684 2 10 . 1 1 3 3 MET CA C 13 55.311 . . 1 . . 72 . . 7 MET CA . 25684 2 11 . 1 1 3 3 MET CB C 13 31.742 0.007 . 1 . . 56 . . 7 MET CB . 25684 2 12 . 1 1 4 4 GLY HA2 H 1 4.041 0.034 . 1 . . 199 . . 8 GLY HA2 . 25684 2 13 . 1 1 4 4 GLY CA C 13 44.799 0.006 . 1 . . 81 . . 8 GLY CA . 25684 2 14 . 1 1 5 5 SER HA H 1 4.574 0.005 . 1 . . 200 . . 9 SER HA . 25684 2 15 . 1 1 5 5 SER HB2 H 1 3.924 0.0 . 1 . . 201 . . 9 SER HB2 . 25684 2 16 . 1 1 5 5 SER CA C 13 57.743 . . 1 . . 76 . . 9 SER CA . 25684 2 17 . 1 1 5 5 SER CB C 13 63.556 0.0 . 1 . . 106 . . 9 SER CB . 25684 2 18 . 1 1 6 6 VAL HA H 1 4.238 0.003 . 1 . . 202 . . 10 VAL HA . 25684 2 19 . 1 1 6 6 VAL HB H 1 2.178 0.0 . 1 . . 203 . . 10 VAL HB . 25684 2 20 . 1 1 6 6 VAL HG11 H 1 0.994 0.004 . 2 . . 204 . . 10 VAL HG11 . 25684 2 21 . 1 1 6 6 VAL HG12 H 1 0.994 0.004 . 2 . . 204 . . 10 VAL HG12 . 25684 2 22 . 1 1 6 6 VAL HG13 H 1 0.994 0.004 . 2 . . 204 . . 10 VAL HG13 . 25684 2 23 . 1 1 6 6 VAL HG21 H 1 0.989 . . 2 . . 379 . . 10 VAL HG21 . 25684 2 24 . 1 1 6 6 VAL HG22 H 1 0.989 . . 2 . . 379 . . 10 VAL HG22 . 25684 2 25 . 1 1 6 6 VAL HG23 H 1 0.989 . . 2 . . 379 . . 10 VAL HG23 . 25684 2 26 . 1 1 6 6 VAL CA C 13 61.968 . . 1 . . 75 . . 10 VAL CA . 25684 2 27 . 1 1 6 6 VAL CB C 13 32.414 . . 1 . . 59 . . 10 VAL CB . 25684 2 28 . 1 1 6 6 VAL CG1 C 13 20.870 . . 2 . . 162 . . 10 VAL CG1 . 25684 2 29 . 1 1 6 6 VAL CG2 C 13 19.967 . . 2 . . 161 . . 10 VAL CG2 . 25684 2 30 . 1 1 7 7 ASP HA H 1 4.704 0.0 . 1 . . 207 . . 11 ASP HA . 25684 2 31 . 1 1 7 7 ASP HB2 H 1 2.786 0.0 . 2 . . 205 . . 11 ASP HB2 . 25684 2 32 . 1 1 7 7 ASP HB3 H 1 2.678 0.0 . 2 . . 206 . . 11 ASP HB3 . 25684 2 33 . 1 1 7 7 ASP CA C 13 53.989 . . 1 . . 87 . . 11 ASP CA . 25684 2 34 . 1 1 7 7 ASP CB C 13 41.059 0.003 . 1 . . 163 . . 11 ASP CB . 25684 2 35 . 1 1 8 8 SER HA H 1 4.457 0.001 . 1 . . 208 . . 12 SER HA . 25684 2 36 . 1 1 8 8 SER HB2 H 1 3.972 0.0 . 2 . . 209 . . 12 SER HB2 . 25684 2 37 . 1 1 8 8 SER HB3 H 1 3.873 0.0 . 2 . . 210 . . 12 SER HB3 . 25684 2 38 . 1 1 8 8 SER CA C 13 58.149 0.025 . 1 . . 94 . . 12 SER CA . 25684 2 39 . 1 1 8 8 SER CB C 13 63.355 0.014 . 1 . . 93 . . 12 SER CB . 25684 2 40 . 1 1 9 9 ALA HA H 1 4.355 0.0 . 1 . . 211 . . 13 ALA HA . 25684 2 41 . 1 1 9 9 ALA HB1 H 1 1.453 0.0 . 1 . . 212 . . 13 ALA HB1 . 25684 2 42 . 1 1 9 9 ALA HB2 H 1 1.453 0.0 . 1 . . 212 . . 13 ALA HB2 . 25684 2 43 . 1 1 9 9 ALA HB3 H 1 1.453 0.0 . 1 . . 212 . . 13 ALA HB3 . 25684 2 44 . 1 1 9 9 ALA CA C 13 52.639 . . 1 . . 77 . . 13 ALA CA . 25684 2 45 . 1 1 9 9 ALA CB C 13 18.975 0.0 . 1 . . 60 . . 13 ALA CB . 25684 2 46 . 1 1 10 10 ASP HA H 1 4.627 0.001 . 1 . . 213 . . 14 ASP HA . 25684 2 47 . 1 1 10 10 ASP HB2 H 1 2.769 0.003 . 2 . . 214 . . 14 ASP HB2 . 25684 2 48 . 1 1 10 10 ASP HB3 H 1 2.680 0.002 . 2 . . 215 . . 14 ASP HB3 . 25684 2 49 . 1 1 10 10 ASP CA C 13 53.940 0.005 . 1 . . 74 . . 14 ASP CA . 25684 2 50 . 1 1 10 10 ASP CB C 13 41.019 0.001 . 1 . . 57 . . 14 ASP CB . 25684 2 51 . 1 1 11 11 ALA HA H 1 4.374 0.0 . 1 . . 217 . . 15 ALA HA . 25684 2 52 . 1 1 11 11 ALA HB1 H 1 1.468 0.003 . 1 . . 216 . . 15 ALA HB1 . 25684 2 53 . 1 1 11 11 ALA HB2 H 1 1.468 0.003 . 1 . . 216 . . 15 ALA HB2 . 25684 2 54 . 1 1 11 11 ALA HB3 H 1 1.468 0.003 . 1 . . 216 . . 15 ALA HB3 . 25684 2 55 . 1 1 11 11 ALA CA C 13 52.535 0.0 . 1 . . 88 . . 15 ALA CA . 25684 2 56 . 1 1 11 11 ALA CB C 13 19.046 . . 1 . . 103 . . 15 ALA CB . 25684 2 57 . 1 1 12 12 GLY HA2 H 1 4.049 . . 2 . . 218 . . 16 GLY HA2 . 25684 2 58 . 1 1 12 12 GLY HA3 H 1 3.999 . . 2 . . 219 . . 16 GLY HA3 . 25684 2 59 . 1 1 12 12 GLY CA C 13 44.983 0.012 . 1 . . 92 . . 16 GLY CA . 25684 2 60 . 1 1 13 13 GLY HA2 H 1 4.071 . . 2 . . 220 . . 17 GLY HA2 . 25684 2 61 . 1 1 13 13 GLY HA3 H 1 4.017 . . 2 . . 221 . . 17 GLY HA3 . 25684 2 62 . 1 1 13 13 GLY CA C 13 44.854 0.006 . 1 . . 104 . . 17 GLY CA . 25684 2 63 . 1 1 14 14 GLY HA2 H 1 4.093 . . 2 . . 222 . . 18 GLY HA2 . 25684 2 64 . 1 1 14 14 GLY HA3 H 1 4.047 . . 2 . . 223 . . 18 GLY HA3 . 25684 2 65 . 1 1 14 14 GLY CA C 13 44.799 0.012 . 1 . . 105 . . 18 GLY CA . 25684 2 66 . 1 1 15 15 SER HA H 1 4.464 0.0 . 1 . . 224 . . 19 SER HA . 25684 2 67 . 1 1 15 15 SER HB2 H 1 3.903 0.008 . 1 . . 225 . . 19 SER HB2 . 25684 2 68 . 1 1 15 15 SER CA C 13 58.159 0.0 . 1 . . 86 . . 19 SER CA . 25684 2 69 . 1 1 15 15 SER CB C 13 63.480 0.0 . 1 . . 67 . . 19 SER CB . 25684 2 70 . 1 1 16 16 GLY HA2 H 1 4.066 . . 1 . . 226 . . 20 GLY HA2 . 25684 2 71 . 1 1 16 16 GLY CA C 13 45.149 . . 1 . . 80 . . 20 GLY CA . 25684 2 72 . 1 1 17 17 TRP HB2 H 1 3.297 0.038 . 1 . . 228 . . 21 TRP HB2 . 25684 2 73 . 1 1 17 17 TRP CB C 13 29.085 0.01 . 1 . . 348 . . 21 TRP CB . 25684 2 74 . 1 1 18 18 LEU HA H 1 4.320 0.002 . 1 . . 229 . . 22 LEU HA . 25684 2 75 . 1 1 18 18 LEU HB2 H 1 1.543 0.006 . 2 . . 230 . . 22 LEU HB2 . 25684 2 76 . 1 1 18 18 LEU HB3 H 1 1.512 0.005 . 2 . . 355 . . 22 LEU HB3 . 25684 2 77 . 1 1 18 18 LEU HG H 1 1.387 0.002 . 1 . . 367 . . 22 LEU HG . 25684 2 78 . 1 1 18 18 LEU HD11 H 1 0.875 0.001 . 1 . . 365 . . 22 LEU HD11 . 25684 2 79 . 1 1 18 18 LEU HD12 H 1 0.875 0.001 . 1 . . 365 . . 22 LEU HD12 . 25684 2 80 . 1 1 18 18 LEU HD13 H 1 0.875 0.001 . 1 . . 365 . . 22 LEU HD13 . 25684 2 81 . 1 1 18 18 LEU HD21 H 1 0.793 0.002 . 1 . . 381 . . 22 LEU HD21 . 25684 2 82 . 1 1 18 18 LEU HD22 H 1 0.793 0.002 . 1 . . 381 . . 22 LEU HD22 . 25684 2 83 . 1 1 18 18 LEU HD23 H 1 0.793 0.002 . 1 . . 381 . . 22 LEU HD23 . 25684 2 84 . 1 1 18 18 LEU CA C 13 55.083 0.0 . 1 . . 368 . . 22 LEU CA . 25684 2 85 . 1 1 18 18 LEU CB C 13 41.938 0.059 . 1 . . 354 . . 22 LEU CB . 25684 2 86 . 1 1 18 18 LEU CG C 13 26.485 0.008 . 1 . . 166 . . 22 LEU CG . 25684 2 87 . 1 1 18 18 LEU CD1 C 13 24.614 . . 1 . . 366 . . 22 LEU CD1 . 25684 2 88 . 1 1 18 18 LEU CD2 C 13 23.192 0.011 . 1 . . 364 . . 22 LEU CD2 . 25684 2 89 . 1 1 19 19 THR HA H 1 3.969 . . 1 . . 233 . . 23 THR HA . 25684 2 90 . 1 1 19 19 THR HB H 1 4.211 0.001 . 1 . . 234 . . 23 THR HB . 25684 2 91 . 1 1 19 19 THR HG21 H 1 1.229 0.0 . 1 . . 232 . . 23 THR HG21 . 25684 2 92 . 1 1 19 19 THR HG22 H 1 1.229 0.0 . 1 . . 232 . . 23 THR HG22 . 25684 2 93 . 1 1 19 19 THR HG23 H 1 1.229 0.0 . 1 . . 232 . . 23 THR HG23 . 25684 2 94 . 1 1 19 19 THR CA C 13 63.688 . . 1 . . 351 . . 23 THR CA . 25684 2 95 . 1 1 19 19 THR CB C 13 69.221 0.003 . 1 . . 352 . . 23 THR CB . 25684 2 96 . 1 1 19 19 THR CG2 C 13 21.392 . . 1 . . 369 . . 23 THR CG2 . 25684 2 97 . 1 1 20 20 GLY HA2 H 1 3.956 . . 1 . . 235 . . 24 GLY HA2 . 25684 2 98 . 1 1 20 20 GLY CA C 13 45.265 . . 1 . . 350 . . 24 GLY CA . 25684 2 99 . 1 1 21 21 TRP HA H 1 4.567 0.001 . 1 . . 238 . . 25 TRP HA . 25684 2 100 . 1 1 21 21 TRP HB3 H 1 3.248 0.019 . 1 . . 237 . . 25 TRP HB3 . 25684 2 101 . 1 1 21 21 TRP HD1 H 1 7.209 . . 1 . . 363 . . 25 TRP HD1 . 25684 2 102 . 1 1 21 21 TRP HE3 H 1 7.545 . . 1 . . 389 . . 25 TRP HE3 . 25684 2 103 . 1 1 21 21 TRP CA C 13 57.300 0.021 . 1 . . 70 . . 25 TRP CA . 25684 2 104 . 1 1 21 21 TRP CB C 13 29.549 0.005 . 1 . . 346 . . 25 TRP CB . 25684 2 105 . 1 1 22 22 LEU HA H 1 4.511 0.001 . 1 . . 360 . . 26 LEU HA . 25684 2 106 . 1 1 22 22 LEU HB2 H 1 1.426 0.003 . 2 . . 309 . . 26 LEU HB2 . 25684 2 107 . 1 1 22 22 LEU HB3 H 1 1.386 0.003 . 2 . . 362 . . 26 LEU HB3 . 25684 2 108 . 1 1 22 22 LEU HG H 1 1.519 . . 1 . . 370 . . 26 LEU HG . 25684 2 109 . 1 1 22 22 LEU HD11 H 1 0.886 0.004 . 2 . . 293 . . 26 LEU HD11 . 25684 2 110 . 1 1 22 22 LEU HD12 H 1 0.886 0.004 . 2 . . 293 . . 26 LEU HD12 . 25684 2 111 . 1 1 22 22 LEU HD13 H 1 0.886 0.004 . 2 . . 293 . . 26 LEU HD13 . 25684 2 112 . 1 1 22 22 LEU HD21 H 1 0.850 . . 2 . . 383 . . 26 LEU HD21 . 25684 2 113 . 1 1 22 22 LEU HD22 H 1 0.850 . . 2 . . 383 . . 26 LEU HD22 . 25684 2 114 . 1 1 22 22 LEU HD23 H 1 0.850 . . 2 . . 383 . . 26 LEU HD23 . 25684 2 115 . 1 1 22 22 LEU CA C 13 52.214 0.011 . 1 . . 71 . . 26 LEU CA . 25684 2 116 . 1 1 22 22 LEU CB C 13 42.426 0.002 . 1 . . 55 . . 26 LEU CB . 25684 2 117 . 1 1 22 22 LEU CD1 C 13 23.577 . . 1 . . 298 . . 26 LEU CD1 . 25684 2 118 . 1 1 22 22 LEU CD2 C 13 24.990 . . 1 . . 297 . . 26 LEU CD2 . 25684 2 119 . 1 1 23 23 PRO HA H 1 4.236 0.003 . 1 . . 371 . . 27 PRO HA . 25684 2 120 . 1 1 23 23 PRO HB2 H 1 1.716 0.003 . 2 . . 372 . . 27 PRO HB2 . 25684 2 121 . 1 1 23 23 PRO HB3 H 1 2.154 0.001 . 2 . . 373 . . 27 PRO HB3 . 25684 2 122 . 1 1 23 23 PRO HG3 H 1 1.933 0.0 . 1 . . 342 . . 27 PRO HG3 . 25684 2 123 . 1 1 23 23 PRO HD2 H 1 3.545 0.001 . 2 . . 375 . . 27 PRO HD2 . 25684 2 124 . 1 1 23 23 PRO HD3 H 1 3.515 0.004 . 2 . . 388 . . 27 PRO HD3 . 25684 2 125 . 1 1 23 23 PRO CA C 13 62.850 0.0 . 1 . . 112 . . 27 PRO CA . 25684 2 126 . 1 1 23 23 PRO CB C 13 31.530 0.007 . 1 . . 113 . . 27 PRO CB . 25684 2 127 . 1 1 23 23 PRO CG C 13 26.906 . . 1 . . 295 . . 27 PRO CG . 25684 2 128 . 1 1 23 23 PRO CD C 13 49.992 0.004 . 1 . . 374 . . 27 PRO CD . 25684 2 129 . 1 1 24 24 THR HA H 1 4.280 0.001 . 1 . . 240 . . 28 THR HA . 25684 2 130 . 1 1 24 24 THR HB H 1 4.273 0.001 . 1 . . 296 . . 28 THR HB . 25684 2 131 . 1 1 24 24 THR HG21 H 1 1.240 0.0 . 1 . . 239 . . 28 THR HG21 . 25684 2 132 . 1 1 24 24 THR HG22 H 1 1.240 0.0 . 1 . . 239 . . 28 THR HG22 . 25684 2 133 . 1 1 24 24 THR HG23 H 1 1.240 0.0 . 1 . . 239 . . 28 THR HG23 . 25684 2 134 . 1 1 24 24 THR CA C 13 61.973 0.002 . 1 . . 167 . . 28 THR CA . 25684 2 135 . 1 1 24 24 THR CB C 13 69.187 0.003 . 1 . . 116 . . 28 THR CB . 25684 2 136 . 1 1 24 24 THR CG2 C 13 21.237 . . 1 . . 376 . . 28 THR CG2 . 25684 2 137 . 1 1 25 25 TRP HA H 1 4.702 0.002 . 1 . . 241 . . 29 TRP HA . 25684 2 138 . 1 1 25 25 TRP HB2 H 1 3.343 . . 2 . . 242 . . 29 TRP HB2 . 25684 2 139 . 1 1 25 25 TRP HB3 H 1 3.300 0.003 . 2 . . 243 . . 29 TRP HB3 . 25684 2 140 . 1 1 25 25 TRP HD1 H 1 7.266 . . 1 . . 390 . . 29 TRP HD1 . 25684 2 141 . 1 1 25 25 TRP HE3 H 1 7.573 . . 1 . . 336 . . 29 TRP HE3 . 25684 2 142 . 1 1 25 25 TRP CA C 13 57.030 0.021 . 1 . . 117 . . 29 TRP CA . 25684 2 143 . 1 1 25 25 TRP CB C 13 29.206 . . 1 . . 347 . . 29 TRP CB . 25684 2 144 . 1 1 26 26 CYS HA H 1 4.663 0.001 . 1 . . 398 . . 30 CYS HA . 25684 2 145 . 1 1 26 26 CYS HB2 H 1 2.806 0.001 . 2 . . 290 . . 30 CYS HB2 . 25684 2 146 . 1 1 26 26 CYS HB3 H 1 2.720 0.003 . 2 . . 396 . . 30 CYS HB3 . 25684 2 147 . 1 1 26 26 CYS CA C 13 55.617 0.003 . 1 . . 377 . . 30 CYS CA . 25684 2 148 . 1 1 26 26 CYS CB C 13 27.389 0.003 . 1 . . 397 . . 30 CYS CB . 25684 2 149 . 1 1 27 27 PRO HA H 1 4.320 0.003 . 1 . . 356 . . 31 PRO HA . 25684 2 150 . 1 1 27 27 PRO HB2 H 1 1.993 0.003 . 2 . . 246 . . 31 PRO HB2 . 25684 2 151 . 1 1 27 27 PRO HB3 H 1 2.311 0.002 . 2 . . 247 . . 31 PRO HB3 . 25684 2 152 . 1 1 27 27 PRO HG3 H 1 2.017 0.0 . 1 . . 395 . . 31 PRO HG3 . 25684 2 153 . 1 1 27 27 PRO HD2 H 1 3.689 0.0 . 2 . . 245 . . 31 PRO HD2 . 25684 2 154 . 1 1 27 27 PRO HD3 H 1 3.441 0.002 . 2 . . 357 . . 31 PRO HD3 . 25684 2 155 . 1 1 27 27 PRO CA C 13 63.150 0.009 . 1 . . 127 . . 31 PRO CA . 25684 2 156 . 1 1 27 27 PRO CB C 13 31.877 0.006 . 1 . . 126 . . 31 PRO CB . 25684 2 157 . 1 1 27 27 PRO CG C 13 26.877 0.006 . 1 . . 359 . . 31 PRO CG . 25684 2 158 . 1 1 27 27 PRO CD C 13 50.373 0.003 . 1 . . 358 . . 31 PRO CD . 25684 2 159 . 1 1 28 28 THR HA H 1 4.447 0.001 . 1 . . 248 . . 32 THR HA . 25684 2 160 . 1 1 28 28 THR HB H 1 4.343 0.001 . 1 . . 353 . . 32 THR HB . 25684 2 161 . 1 1 28 28 THR HG21 H 1 1.262 0.008 . 1 . . 250 . . 32 THR HG21 . 25684 2 162 . 1 1 28 28 THR HG22 H 1 1.262 0.008 . 1 . . 250 . . 32 THR HG22 . 25684 2 163 . 1 1 28 28 THR HG23 H 1 1.262 0.008 . 1 . . 250 . . 32 THR HG23 . 25684 2 164 . 1 1 28 28 THR CA C 13 61.583 0.0 . 1 . . 121 . . 32 THR CA . 25684 2 165 . 1 1 28 28 THR CB C 13 69.329 0.016 . 1 . . 125 . . 32 THR CB . 25684 2 166 . 1 1 28 28 THR CG2 C 13 21.416 . . 1 . . 168 . . 32 THR CG2 . 25684 2 167 . 1 1 29 29 SER HA H 1 4.584 0.0 . 1 . . 251 . . 33 SER HA . 25684 2 168 . 1 1 29 29 SER HB2 H 1 3.945 0.002 . 2 . . 252 . . 33 SER HB2 . 25684 2 169 . 1 1 29 29 SER HB3 H 1 3.904 . . 2 . . 253 . . 33 SER HB3 . 25684 2 170 . 1 1 29 29 SER CA C 13 58.031 . . 1 . . 122 . . 33 SER CA . 25684 2 171 . 1 1 29 29 SER CB C 13 63.434 0.021 . 1 . . 120 . . 33 SER CB . 25684 2 172 . 1 1 30 30 THR HA H 1 4.302 . . 1 . . 255 . . 34 THR HA . 25684 2 173 . 1 1 30 30 THR HB H 1 4.351 0.006 . 1 . . 254 . . 34 THR HB . 25684 2 174 . 1 1 30 30 THR HG21 H 1 1.256 0.001 . 1 . . 256 . . 34 THR HG21 . 25684 2 175 . 1 1 30 30 THR HG22 H 1 1.256 0.001 . 1 . . 256 . . 34 THR HG22 . 25684 2 176 . 1 1 30 30 THR HG23 H 1 1.256 0.001 . 1 . . 256 . . 34 THR HG23 . 25684 2 177 . 1 1 30 30 THR CA C 13 61.625 . . 1 . . 101 . . 34 THR CA . 25684 2 178 . 1 1 30 30 THR CB C 13 69.128 . . 1 . . 130 . . 34 THR CB . 25684 2 179 . 1 1 30 30 THR CG2 C 13 21.121 . . 1 . . 169 . . 34 THR CG2 . 25684 2 180 . 1 1 31 31 SER HB2 H 1 3.870 . . 1 . . 291 . . 35 SER HB2 . 25684 2 181 . 1 1 31 31 SER CB C 13 63.649 . . 1 . . 100 . . 35 SER CB . 25684 2 182 . 1 1 32 32 HIS HA H 1 4.733 0.0 . 1 . . 257 . . 36 HIS HA . 25684 2 183 . 1 1 32 32 HIS HB2 H 1 3.276 0.025 . 2 . . 258 . . 36 HIS HB2 . 25684 2 184 . 1 1 32 32 HIS HB3 H 1 3.168 0.003 . 2 . . 259 . . 36 HIS HB3 . 25684 2 185 . 1 1 32 32 HIS CA C 13 55.490 . . 1 . . 83 . . 36 HIS CA . 25684 2 186 . 1 1 32 32 HIS CB C 13 29.437 . . 1 . . 63 . . 36 HIS CB . 25684 2 187 . 1 1 33 33 LEU HA H 1 4.374 0.001 . 1 . . 260 . . 37 LEU HA . 25684 2 188 . 1 1 33 33 LEU HB2 H 1 1.675 0.001 . 2 . . 261 . . 37 LEU HB2 . 25684 2 189 . 1 1 33 33 LEU HB3 H 1 1.616 0.003 . 2 . . 262 . . 37 LEU HB3 . 25684 2 190 . 1 1 33 33 LEU HG H 1 1.523 0.009 . 1 . . 263 . . 37 LEU HG . 25684 2 191 . 1 1 33 33 LEU HD11 H 1 0.961 0.004 . 2 . . 264 . . 37 LEU HD11 . 25684 2 192 . 1 1 33 33 LEU HD12 H 1 0.961 0.004 . 2 . . 264 . . 37 LEU HD12 . 25684 2 193 . 1 1 33 33 LEU HD13 H 1 0.961 0.004 . 2 . . 264 . . 37 LEU HD13 . 25684 2 194 . 1 1 33 33 LEU HD21 H 1 0.896 0.01 . 2 . . 265 . . 37 LEU HD21 . 25684 2 195 . 1 1 33 33 LEU HD22 H 1 0.896 0.01 . 2 . . 265 . . 37 LEU HD22 . 25684 2 196 . 1 1 33 33 LEU HD23 H 1 0.896 0.01 . 2 . . 265 . . 37 LEU HD23 . 25684 2 197 . 1 1 33 33 LEU CA C 13 54.820 0.041 . 1 . . 82 . . 37 LEU CA . 25684 2 198 . 1 1 33 33 LEU CB C 13 42.017 0.011 . 1 . . 64 . . 37 LEU CB . 25684 2 199 . 1 1 33 33 LEU CG C 13 26.595 . . 1 . . 173 . . 37 LEU CG . 25684 2 200 . 1 1 33 33 LEU CD1 C 13 24.638 0.0 . 2 . . 174 . . 37 LEU CD1 . 25684 2 201 . 1 1 33 33 LEU CD2 C 13 23.197 0.009 . 2 . . 175 . . 37 LEU CD2 . 25684 2 202 . 1 1 34 34 LYS HA H 1 4.350 0.001 . 1 . . 266 . . 38 LYS HA . 25684 2 203 . 1 1 34 34 LYS HB2 H 1 1.895 0.001 . 2 . . 272 . . 38 LYS HB2 . 25684 2 204 . 1 1 34 34 LYS HB3 H 1 1.813 0.002 . 2 . . 273 . . 38 LYS HB3 . 25684 2 205 . 1 1 34 34 LYS HG2 H 1 1.494 0.0 . 2 . . 268 . . 38 LYS HG2 . 25684 2 206 . 1 1 34 34 LYS HG3 H 1 1.477 . . 2 . . 269 . . 38 LYS HG3 . 25684 2 207 . 1 1 34 34 LYS HD2 H 1 1.711 . . 2 . . 270 . . 38 LYS HD2 . 25684 2 208 . 1 1 34 34 LYS HD3 H 1 1.745 0.0 . 2 . . 271 . . 38 LYS HD3 . 25684 2 209 . 1 1 34 34 LYS HE2 H 1 3.049 0.0 . 1 . . 267 . . 38 LYS HE2 . 25684 2 210 . 1 1 34 34 LYS CA C 13 56.073 0.0 . 1 . . 84 . . 38 LYS CA . 25684 2 211 . 1 1 34 34 LYS CB C 13 32.721 0.008 . 1 . . 65 . . 38 LYS CB . 25684 2 212 . 1 1 34 34 LYS CD C 13 28.715 0.001 . 1 . . 177 . . 38 LYS CD . 25684 2 213 . 1 1 34 34 LYS CE C 13 41.622 . . 1 . . 176 . . 38 LYS CE . 25684 2 214 . 1 1 35 35 GLU HA H 1 4.303 0.0 . 1 . . 274 . . 39 GLU HA . 25684 2 215 . 1 1 35 35 GLU HB2 H 1 2.140 0.0 . 2 . . 275 . . 39 GLU HB2 . 25684 2 216 . 1 1 35 35 GLU HB3 H 1 2.014 0.001 . 2 . . 276 . . 39 GLU HB3 . 25684 2 217 . 1 1 35 35 GLU HG2 H 1 2.358 0.0 . 1 . . 277 . . 39 GLU HG2 . 25684 2 218 . 1 1 35 35 GLU CA C 13 56.435 0.001 . 1 . . 89 . . 39 GLU CA . 25684 2 219 . 1 1 35 35 GLU CB C 13 29.861 0.001 . 1 . . 343 . . 39 GLU CB . 25684 2 220 . 1 1 35 35 GLU CG C 13 35.916 0.0 . 1 . . 179 . . 39 GLU CG . 25684 2 221 . 1 1 36 36 ALA HA H 1 4.356 0.0 . 1 . . 278 . . 40 ALA HA . 25684 2 222 . 1 1 36 36 ALA HB1 H 1 1.465 0.0 . 1 . . 279 . . 40 ALA HB1 . 25684 2 223 . 1 1 36 36 ALA HB2 H 1 1.465 0.0 . 1 . . 279 . . 40 ALA HB2 . 25684 2 224 . 1 1 36 36 ALA HB3 H 1 1.465 0.0 . 1 . . 279 . . 40 ALA HB3 . 25684 2 225 . 1 1 36 36 ALA CA C 13 52.291 0.001 . 1 . . 78 . . 40 ALA CA . 25684 2 226 . 1 1 36 36 ALA CB C 13 18.793 . . 1 . . 58 . . 40 ALA CB . 25684 2 227 . 1 1 37 37 GLU HA H 1 4.344 . . 1 . . 280 . . 41 GLU HA . 25684 2 228 . 1 1 37 37 GLU HB2 H 1 2.131 . . 2 . . 283 . . 41 GLU HB2 . 25684 2 229 . 1 1 37 37 GLU HB3 H 1 2.001 . . 2 . . 284 . . 41 GLU HB3 . 25684 2 230 . 1 1 37 37 GLU HG2 H 1 2.352 . . 2 . . 281 . . 41 GLU HG2 . 25684 2 231 . 1 1 37 37 GLU HG3 H 1 2.252 . . 2 . . 282 . . 41 GLU HG3 . 25684 2 232 . 1 1 37 37 GLU CA C 13 56.247 . . 1 . . 91 . . 41 GLU CA . 25684 2 233 . 1 1 37 37 GLU CB C 13 30.203 0.003 . 1 . . 345 . . 41 GLU CB . 25684 2 234 . 1 1 37 37 GLU CG C 13 36.425 0.003 . 1 . . 349 . . 41 GLU CG . 25684 2 235 . 1 1 38 38 GLU HA H 1 4.358 . . 1 . . 285 . . 42 GLU HA . 25684 2 236 . 1 1 38 38 GLU HB2 H 1 2.119 . . 2 . . 287 . . 42 GLU HB2 . 25684 2 237 . 1 1 38 38 GLU HB3 H 1 1.999 . . 2 . . 288 . . 42 GLU HB3 . 25684 2 238 . 1 1 38 38 GLU HG2 H 1 2.327 . . 1 . . 286 . . 42 GLU HG2 . 25684 2 239 . 1 1 38 38 GLU CA C 13 56.258 . . 1 . . 90 . . 42 GLU CA . 25684 2 240 . 1 1 38 38 GLU CB C 13 30.008 . . 1 . . 344 . . 42 GLU CB . 25684 2 241 . 1 1 38 38 GLU CG C 13 35.765 . . 1 . . 186 . . 42 GLU CG . 25684 2 242 . 1 1 39 39 LYS HA H 1 4.239 0.003 . 1 . . 299 . . 43 LYS HA . 25684 2 243 . 1 1 39 39 LYS HB2 H 1 1.901 . . 2 . . 300 . . 43 LYS HB2 . 25684 2 244 . 1 1 39 39 LYS HB3 H 1 1.775 . . 2 . . 303 . . 43 LYS HB3 . 25684 2 245 . 1 1 39 39 LYS CA C 13 57.186 . . 1 . . 85 . . 43 LYS CA . 25684 2 246 . 1 1 39 39 LYS CB C 13 33.504 0.004 . 1 . . 66 . . 43 LYS CB . 25684 2 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_assigned_chem_shift_list_1_2_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1_2_3 _Assigned_chem_shift_list.Entry_ID 25684 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $1 _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 $wr10_43_1 isotropic 25684 3 4 '3D 1H-15N NOESY' 1 $wr10_43_1 isotropic 25684 3 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 . . 25684 3 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA HA H 1 4.364 . . 1 . . 193 . . 6 ALA HA . 25684 3 2 . 1 1 2 2 ALA HB1 H 1 1.401 . . 1 . . 194 . . 6 ALA HB1 . 25684 3 3 . 1 1 2 2 ALA HB2 H 1 1.401 . . 1 . . 194 . . 6 ALA HB2 . 25684 3 4 . 1 1 2 2 ALA HB3 H 1 1.401 . . 1 . . 194 . . 6 ALA HB3 . 25684 3 5 . 1 1 3 3 MET H H 1 8.560 0.003 . 1 . . 7 . . 7 MET H . 25684 3 6 . 1 1 3 3 MET HA H 1 4.460 0.001 . 1 . . 195 . . 7 MET HA . 25684 3 7 . 1 1 3 3 MET HB2 H 1 2.589 0.032 . 1 . . 198 . . 7 MET HB2 . 25684 3 8 . 1 1 3 3 MET HG2 H 1 2.127 0.004 . 2 . . 196 . . 7 MET HG2 . 25684 3 9 . 1 1 3 3 MET HG3 H 1 2.030 . . 2 . . 197 . . 7 MET HG3 . 25684 3 10 . 1 1 3 3 MET N N 15 119.619 0.0 . 1 . . 8 . . 7 MET N . 25684 3 11 . 1 1 4 4 GLY H H 1 8.414 0.003 . 1 . . 25 . . 8 GLY H . 25684 3 12 . 1 1 4 4 GLY HA2 H 1 3.992 . . 1 . . 199 . . 8 GLY HA2 . 25684 3 13 . 1 1 4 4 GLY N N 15 110.213 . . 1 . . 26 . . 8 GLY N . 25684 3 14 . 1 1 5 5 SER H H 1 8.156 0.001 . 1 . . 49 . . 9 SER H . 25684 3 15 . 1 1 5 5 SER HA H 1 4.510 . . 1 . . 200 . . 9 SER HA . 25684 3 16 . 1 1 5 5 SER HB2 H 1 3.878 0.003 . 1 . . 201 . . 9 SER HB2 . 25684 3 17 . 1 1 5 5 SER N N 15 115.680 0.0 . 1 . . 50 . . 9 SER N . 25684 3 18 . 1 1 6 6 VAL H H 1 8.218 0.002 . 1 . . 11 . . 10 VAL H . 25684 3 19 . 1 1 6 6 VAL HA H 1 4.173 0.006 . 1 . . 202 . . 10 VAL HA . 25684 3 20 . 1 1 6 6 VAL HB H 1 2.122 0.002 . 1 . . 203 . . 10 VAL HB . 25684 3 21 . 1 1 6 6 VAL HG11 H 1 0.935 0.011 . 1 . . 204 . . 10 VAL HG11 . 25684 3 22 . 1 1 6 6 VAL HG12 H 1 0.935 0.011 . 1 . . 204 . . 10 VAL HG12 . 25684 3 23 . 1 1 6 6 VAL HG13 H 1 0.935 0.011 . 1 . . 204 . . 10 VAL HG13 . 25684 3 24 . 1 1 6 6 VAL N N 15 120.988 . . 1 . . 12 . . 10 VAL N . 25684 3 25 . 1 1 7 7 ASP H H 1 8.377 0.003 . 1 . . 35 . . 11 ASP H . 25684 3 26 . 1 1 7 7 ASP HA H 1 4.640 0.001 . 1 . . 207 . . 11 ASP HA . 25684 3 27 . 1 1 7 7 ASP HB2 H 1 2.724 0.002 . 2 . . 205 . . 11 ASP HB2 . 25684 3 28 . 1 1 7 7 ASP HB3 H 1 2.619 . . 2 . . 206 . . 11 ASP HB3 . 25684 3 29 . 1 1 7 7 ASP N N 15 123.609 0.0 . 1 . . 36 . . 11 ASP N . 25684 3 30 . 1 1 8 8 SER H H 1 8.191 0.002 . 1 . . 51 . . 12 SER H . 25684 3 31 . 1 1 8 8 SER HA H 1 4.413 0.006 . 1 . . 208 . . 12 SER HA . 25684 3 32 . 1 1 8 8 SER HB2 H 1 3.917 0.0 . 2 . . 209 . . 12 SER HB2 . 25684 3 33 . 1 1 8 8 SER HB3 H 1 3.852 . . 2 . . 210 . . 12 SER HB3 . 25684 3 34 . 1 1 8 8 SER N N 15 116.317 0.0 . 1 . . 52 . . 12 SER N . 25684 3 35 . 1 1 9 9 ALA H H 1 8.380 0.003 . 1 . . 15 . . 13 ALA H . 25684 3 36 . 1 1 9 9 ALA HA H 1 4.309 . . 1 . . 211 . . 13 ALA HA . 25684 3 37 . 1 1 9 9 ALA HB1 H 1 1.401 . . 1 . . 212 . . 13 ALA HB1 . 25684 3 38 . 1 1 9 9 ALA HB2 H 1 1.401 . . 1 . . 212 . . 13 ALA HB2 . 25684 3 39 . 1 1 9 9 ALA HB3 H 1 1.401 . . 1 . . 212 . . 13 ALA HB3 . 25684 3 40 . 1 1 9 9 ALA N N 15 125.738 0.004 . 1 . . 16 . . 13 ALA N . 25684 3 41 . 1 1 10 10 ASP H H 1 8.155 0.002 . 1 . . 9 . . 14 ASP H . 25684 3 42 . 1 1 10 10 ASP HA H 1 4.580 0.002 . 1 . . 213 . . 14 ASP HA . 25684 3 43 . 1 1 10 10 ASP HB2 H 1 2.712 . . 2 . . 214 . . 14 ASP HB2 . 25684 3 44 . 1 1 10 10 ASP HB3 H 1 2.628 0.003 . 2 . . 215 . . 14 ASP HB3 . 25684 3 45 . 1 1 10 10 ASP N N 15 118.889 0.0 . 1 . . 10 . . 14 ASP N . 25684 3 46 . 1 1 11 11 ALA H H 1 8.195 0.002 . 1 . . 37 . . 15 ALA H . 25684 3 47 . 1 1 11 11 ALA HB1 H 1 1.419 0.004 . 1 . . 216 . . 15 ALA HB1 . 25684 3 48 . 1 1 11 11 ALA HB2 H 1 1.419 0.004 . 1 . . 216 . . 15 ALA HB2 . 25684 3 49 . 1 1 11 11 ALA HB3 H 1 1.419 0.004 . 1 . . 216 . . 15 ALA HB3 . 25684 3 50 . 1 1 11 11 ALA N N 15 124.672 0.0 . 1 . . 38 . . 15 ALA N . 25684 3 51 . 1 1 12 12 GLY H H 1 8.398 0.003 . 1 . . 47 . . 16 GLY H . 25684 3 52 . 1 1 12 12 GLY HA3 H 1 3.977 0.004 . 1 . . 219 . . 16 GLY HA3 . 25684 3 53 . 1 1 12 12 GLY N N 15 107.549 0.013 . 1 . . 48 . . 16 GLY N . 25684 3 54 . 1 1 13 13 GLY H H 1 8.240 0.003 . 1 . . 45 . . 17 GLY H . 25684 3 55 . 1 1 13 13 GLY HA3 H 1 3.984 . . 1 . . 221 . . 17 GLY HA3 . 25684 3 56 . 1 1 13 13 GLY N N 15 108.423 0.004 . 1 . . 46 . . 17 GLY N . 25684 3 57 . 1 1 14 14 GLY H H 1 8.374 0.005 . 1 . . 13 . . 18 GLY H . 25684 3 58 . 1 1 14 14 GLY HA3 H 1 4.006 0.003 . 1 . . 223 . . 18 GLY HA3 . 25684 3 59 . 1 1 14 14 GLY N N 15 108.762 0.009 . 1 . . 14 . . 18 GLY N . 25684 3 60 . 1 1 15 15 SER H H 1 8.294 0.003 . 1 . . 33 . . 19 SER H . 25684 3 61 . 1 1 15 15 SER HA H 1 4.468 0.001 . 1 . . 224 . . 19 SER HA . 25684 3 62 . 1 1 15 15 SER HB2 H 1 3.852 . . 1 . . 225 . . 19 SER HB2 . 25684 3 63 . 1 1 15 15 SER N N 15 115.066 0.007 . 1 . . 34 . . 19 SER N . 25684 3 64 . 1 1 16 16 GLY H H 1 8.478 0.002 . 1 . . 23 . . 20 GLY H . 25684 3 65 . 1 1 16 16 GLY HA3 H 1 3.996 0.002 . 1 . . 312 . . 20 GLY HA3 . 25684 3 66 . 1 1 16 16 GLY N N 15 110.645 0.01 . 1 . . 24 . . 20 GLY N . 25684 3 67 . 1 1 17 17 TRP H H 1 8.243 0.001 . 1 . . 21 . . 21 TRP H . 25684 3 68 . 1 1 17 17 TRP HA H 1 4.509 0.003 . 1 . . 227 . . 21 TRP HA . 25684 3 69 . 1 1 17 17 TRP HB2 H 1 3.263 0.034 . 2 . . 228 . . 21 TRP HB2 . 25684 3 70 . 1 1 17 17 TRP HB3 H 1 3.339 0.0 . 2 . . 386 . . 21 TRP HB3 . 25684 3 71 . 1 1 17 17 TRP HD1 H 1 7.414 0.001 . 1 . . 311 . . 21 TRP HD1 . 25684 3 72 . 1 1 17 17 TRP HE1 H 1 10.316 0.005 . 1 . . 310 . . 21 TRP HE1 . 25684 3 73 . 1 1 17 17 TRP HE3 H 1 6.781 . . 1 . . 330 . . 21 TRP HE3 . 25684 3 74 . 1 1 17 17 TRP N N 15 121.301 0.0 . 1 . . 22 . . 21 TRP N . 25684 3 75 . 1 1 17 17 TRP NE1 N 15 129.844 0.018 . 1 . . 321 . . 21 TRP NE1 . 25684 3 76 . 1 1 18 18 LEU H H 1 7.859 0.003 . 1 . . 17 . . 22 LEU H . 25684 3 77 . 1 1 18 18 LEU HA H 1 4.029 . . 1 . . 229 . . 22 LEU HA . 25684 3 78 . 1 1 18 18 LEU HB2 H 1 1.406 0.005 . 2 . . 230 . . 22 LEU HB2 . 25684 3 79 . 1 1 18 18 LEU HB3 H 1 1.459 0.003 . 2 . . 355 . . 22 LEU HB3 . 25684 3 80 . 1 1 18 18 LEU HG H 1 1.290 0.001 . 1 . . 231 . . 22 LEU HG . 25684 3 81 . 1 1 18 18 LEU HD11 H 1 0.676 0.002 . 1 . . 289 . . 22 LEU HD11 . 25684 3 82 . 1 1 18 18 LEU HD12 H 1 0.676 0.002 . 1 . . 289 . . 22 LEU HD12 . 25684 3 83 . 1 1 18 18 LEU HD13 H 1 0.676 0.002 . 1 . . 289 . . 22 LEU HD13 . 25684 3 84 . 1 1 18 18 LEU HD21 H 1 0.529 0.003 . 1 . . 381 . . 22 LEU HD21 . 25684 3 85 . 1 1 18 18 LEU HD22 H 1 0.529 0.003 . 1 . . 381 . . 22 LEU HD22 . 25684 3 86 . 1 1 18 18 LEU HD23 H 1 0.529 0.003 . 1 . . 381 . . 22 LEU HD23 . 25684 3 87 . 1 1 18 18 LEU N N 15 119.225 0.015 . 1 . . 18 . . 22 LEU N . 25684 3 88 . 1 1 19 19 THR H H 1 7.695 0.002 . 1 . . 1 . . 23 THR H . 25684 3 89 . 1 1 19 19 THR HA H 1 4.020 . . 1 . . 233 . . 23 THR HA . 25684 3 90 . 1 1 19 19 THR HB H 1 4.175 0.002 . 1 . . 314 . . 23 THR HB . 25684 3 91 . 1 1 19 19 THR HG21 H 1 1.165 0.002 . 1 . . 317 . . 23 THR HG21 . 25684 3 92 . 1 1 19 19 THR HG22 H 1 1.165 0.002 . 1 . . 317 . . 23 THR HG22 . 25684 3 93 . 1 1 19 19 THR HG23 H 1 1.165 0.002 . 1 . . 317 . . 23 THR HG23 . 25684 3 94 . 1 1 19 19 THR N N 15 111.186 0.004 . 1 . . 2 . . 23 THR N . 25684 3 95 . 1 1 20 20 GLY H H 1 8.284 0.004 . 1 . . 313 . . 24 GLY H . 25684 3 96 . 1 1 20 20 GLY HA3 H 1 3.894 0.001 . 1 . . 315 . . 24 GLY HA3 . 25684 3 97 . 1 1 20 20 GLY N N 15 109.672 0.035 . 1 . . 107 . . 24 GLY N . 25684 3 98 . 1 1 21 21 TRP H H 1 7.744 0.002 . 1 . . 3 . . 25 TRP H . 25684 3 99 . 1 1 21 21 TRP HA H 1 4.546 0.002 . 1 . . 238 . . 25 TRP HA . 25684 3 100 . 1 1 21 21 TRP HB2 H 1 3.138 0.0 . 2 . . 236 . . 25 TRP HB2 . 25684 3 101 . 1 1 21 21 TRP HB3 H 1 3.251 0.001 . 2 . . 237 . . 25 TRP HB3 . 25684 3 102 . 1 1 21 21 TRP HD1 H 1 7.222 0.001 . 1 . . 363 . . 25 TRP HD1 . 25684 3 103 . 1 1 21 21 TRP HE1 H 1 10.021 0.005 . 1 . . 155 . . 25 TRP HE1 . 25684 3 104 . 1 1 21 21 TRP HZ2 H 1 7.328 . . 1 . . 391 . . 25 TRP HZ2 . 25684 3 105 . 1 1 21 21 TRP HH2 H 1 6.966 . . 1 . . 382 . . 25 TRP HH2 . 25684 3 106 . 1 1 21 21 TRP N N 15 119.299 0.025 . 1 . . 4 . . 25 TRP N . 25684 3 107 . 1 1 21 21 TRP NE1 N 15 129.169 0.001 . 1 . . 380 . . 25 TRP NE1 . 25684 3 108 . 1 1 22 22 LEU H H 1 7.438 0.001 . 1 . . 5 . . 26 LEU H . 25684 3 109 . 1 1 22 22 LEU HB2 H 1 1.419 . . 1 . . 309 . . 26 LEU HB2 . 25684 3 110 . 1 1 22 22 LEU HD11 H 1 0.705 . . 1 . . 316 . . 26 LEU HD11 . 25684 3 111 . 1 1 22 22 LEU HD12 H 1 0.705 . . 1 . . 316 . . 26 LEU HD12 . 25684 3 112 . 1 1 22 22 LEU HD13 H 1 0.705 . . 1 . . 316 . . 26 LEU HD13 . 25684 3 113 . 1 1 22 22 LEU HD21 H 1 0.657 . . 1 . . 378 . . 26 LEU HD21 . 25684 3 114 . 1 1 22 22 LEU HD22 H 1 0.657 . . 1 . . 378 . . 26 LEU HD22 . 25684 3 115 . 1 1 22 22 LEU HD23 H 1 0.657 . . 1 . . 378 . . 26 LEU HD23 . 25684 3 116 . 1 1 22 22 LEU N N 15 120.415 0.008 . 1 . . 6 . . 26 LEU N . 25684 3 117 . 1 1 23 23 PRO HG2 H 1 1.692 . . 1 . . 331 . . 27 PRO HG2 . 25684 3 118 . 1 1 24 24 THR H H 1 7.798 0.005 . 1 . . 318 . . 28 THR H . 25684 3 119 . 1 1 24 24 THR HA H 1 4.228 0.0 . 1 . . 240 . . 28 THR HA . 25684 3 120 . 1 1 24 24 THR HG21 H 1 1.148 . . 1 . . 320 . . 28 THR HG21 . 25684 3 121 . 1 1 24 24 THR HG22 H 1 1.148 . . 1 . . 320 . . 28 THR HG22 . 25684 3 122 . 1 1 24 24 THR HG23 H 1 1.148 . . 1 . . 320 . . 28 THR HG23 . 25684 3 123 . 1 1 24 24 THR N N 15 111.222 0.023 . 1 . . 319 . . 28 THR N . 25684 3 124 . 1 1 25 25 TRP H H 1 7.742 0.002 . 1 . . 335 . . 29 TRP H . 25684 3 125 . 1 1 25 25 TRP HA H 1 4.691 . . 1 . . 241 . . 29 TRP HA . 25684 3 126 . 1 1 25 25 TRP HB2 H 1 3.298 0.002 . 2 . . 242 . . 29 TRP HB2 . 25684 3 127 . 1 1 25 25 TRP HB3 H 1 3.215 0.0 . 2 . . 243 . . 29 TRP HB3 . 25684 3 128 . 1 1 25 25 TRP HD1 H 1 7.288 . . 1 . . 390 . . 29 TRP HD1 . 25684 3 129 . 1 1 25 25 TRP HE3 H 1 7.484 . . 1 . . 336 . . 29 TRP HE3 . 25684 3 130 . 1 1 25 25 TRP N N 15 121.050 0.015 . 1 . . 334 . . 29 TRP N . 25684 3 131 . 1 1 26 26 CYS H H 1 7.955 0.001 . 1 . . 332 . . 30 CYS H . 25684 3 132 . 1 1 26 26 CYS HA H 1 4.692 . . 1 . . 398 . . 30 CYS HA . 25684 3 133 . 1 1 26 26 CYS HB2 H 1 2.804 . . 1 . . 290 . . 30 CYS HB2 . 25684 3 134 . 1 1 26 26 CYS N N 15 119.070 0.015 . 1 . . 333 . . 30 CYS N . 25684 3 135 . 1 1 27 27 PRO HA H 1 4.438 0.003 . 1 . . 324 . . 31 PRO HA . 25684 3 136 . 1 1 27 27 PRO HB2 H 1 1.941 0.004 . 2 . . 246 . . 31 PRO HB2 . 25684 3 137 . 1 1 27 27 PRO HB3 H 1 2.255 0.004 . 2 . . 247 . . 31 PRO HB3 . 25684 3 138 . 1 1 27 27 PRO HD2 H 1 3.619 0.0 . 1 . . 245 . . 31 PRO HD2 . 25684 3 139 . 1 1 28 28 THR H H 1 8.188 0.002 . 1 . . 124 . . 32 THR H . 25684 3 140 . 1 1 28 28 THR HA H 1 4.237 0.002 . 1 . . 323 . . 32 THR HA . 25684 3 141 . 1 1 28 28 THR HB H 1 4.351 0.002 . 1 . . 322 . . 32 THR HB . 25684 3 142 . 1 1 28 28 THR HG21 H 1 1.207 0.002 . 1 . . 250 . . 32 THR HG21 . 25684 3 143 . 1 1 28 28 THR HG22 H 1 1.207 0.002 . 1 . . 250 . . 32 THR HG22 . 25684 3 144 . 1 1 28 28 THR HG23 H 1 1.207 0.002 . 1 . . 250 . . 32 THR HG23 . 25684 3 145 . 1 1 28 28 THR N N 15 113.618 0.009 . 1 . . 123 . . 32 THR N . 25684 3 146 . 1 1 29 29 SER H H 1 8.281 0.001 . 1 . . 119 . . 33 SER H . 25684 3 147 . 1 1 29 29 SER HA H 1 4.535 0.0 . 1 . . 251 . . 33 SER HA . 25684 3 148 . 1 1 29 29 SER HB3 H 1 3.876 . . 1 . . 253 . . 33 SER HB3 . 25684 3 149 . 1 1 29 29 SER N N 15 117.677 0.0 . 1 . . 118 . . 33 SER N . 25684 3 150 . 1 1 30 30 THR H H 1 8.194 0.002 . 1 . . 129 . . 34 THR H . 25684 3 151 . 1 1 30 30 THR HA H 1 4.263 0.0 . 1 . . 325 . . 34 THR HA . 25684 3 152 . 1 1 30 30 THR HG21 H 1 1.188 0.005 . 1 . . 256 . . 34 THR HG21 . 25684 3 153 . 1 1 30 30 THR HG22 H 1 1.188 0.005 . 1 . . 256 . . 34 THR HG22 . 25684 3 154 . 1 1 30 30 THR HG23 H 1 1.188 0.005 . 1 . . 256 . . 34 THR HG23 . 25684 3 155 . 1 1 30 30 THR N N 15 115.410 0.0 . 1 . . 128 . . 34 THR N . 25684 3 156 . 1 1 31 31 SER H H 1 8.216 0.003 . 1 . . 99 . . 35 SER H . 25684 3 157 . 1 1 31 31 SER HA H 1 4.375 . . 1 . . 326 . . 35 SER HA . 25684 3 158 . 1 1 31 31 SER HB2 H 1 3.819 . . 1 . . 291 . . 35 SER HB2 . 25684 3 159 . 1 1 31 31 SER N N 15 117.746 0.0 . 1 . . 98 . . 35 SER N . 25684 3 160 . 1 1 32 32 HIS H H 1 8.447 0.004 . 1 . . 337 . . 36 HIS H . 25684 3 161 . 1 1 32 32 HIS HB2 H 1 3.249 . . 2 . . 258 . . 36 HIS HB2 . 25684 3 162 . 1 1 32 32 HIS HB3 H 1 3.128 . . 2 . . 259 . . 36 HIS HB3 . 25684 3 163 . 1 1 32 32 HIS N N 15 120.607 0.017 . 1 . . 338 . . 36 HIS N . 25684 3 164 . 1 1 33 33 LEU H H 1 8.153 0.001 . 1 . . 27 . . 37 LEU H . 25684 3 165 . 1 1 33 33 LEU HA H 1 4.303 . . 1 . . 327 . . 37 LEU HA . 25684 3 166 . 1 1 33 33 LEU HB2 H 1 1.578 . . 2 . . 261 . . 37 LEU HB2 . 25684 3 167 . 1 1 33 33 LEU HB3 H 1 1.629 . . 2 . . 262 . . 37 LEU HB3 . 25684 3 168 . 1 1 33 33 LEU HG H 1 1.519 . . 1 . . 263 . . 37 LEU HG . 25684 3 169 . 1 1 33 33 LEU HD11 H 1 0.912 0.001 . 2 . . 264 . . 37 LEU HD11 . 25684 3 170 . 1 1 33 33 LEU HD12 H 1 0.912 0.001 . 2 . . 264 . . 37 LEU HD12 . 25684 3 171 . 1 1 33 33 LEU HD13 H 1 0.912 0.001 . 2 . . 264 . . 37 LEU HD13 . 25684 3 172 . 1 1 33 33 LEU HD21 H 1 0.848 0.001 . 2 . . 265 . . 37 LEU HD21 . 25684 3 173 . 1 1 33 33 LEU HD22 H 1 0.848 0.001 . 2 . . 265 . . 37 LEU HD22 . 25684 3 174 . 1 1 33 33 LEU HD23 H 1 0.848 0.001 . 2 . . 265 . . 37 LEU HD23 . 25684 3 175 . 1 1 33 33 LEU N N 15 123.242 0.0 . 1 . . 28 . . 37 LEU N . 25684 3 176 . 1 1 34 34 LYS H H 1 8.282 0.001 . 1 . . 29 . . 38 LYS H . 25684 3 177 . 1 1 34 34 LYS HA H 1 4.301 . . 1 . . 266 . . 38 LYS HA . 25684 3 178 . 1 1 34 34 LYS HB2 H 1 1.850 0.002 . 2 . . 272 . . 38 LYS HB2 . 25684 3 179 . 1 1 34 34 LYS HB3 H 1 1.805 0.0 . 2 . . 273 . . 38 LYS HB3 . 25684 3 180 . 1 1 34 34 LYS HG3 H 1 1.431 0.0 . 1 . . 269 . . 38 LYS HG3 . 25684 3 181 . 1 1 34 34 LYS HD2 H 1 1.720 0.001 . 2 . . 270 . . 38 LYS HD2 . 25684 3 182 . 1 1 34 34 LYS HD3 H 1 1.749 0.002 . 2 . . 271 . . 38 LYS HD3 . 25684 3 183 . 1 1 34 34 LYS N N 15 122.166 0.0 . 1 . . 30 . . 38 LYS N . 25684 3 184 . 1 1 35 35 GLU H H 1 8.451 0.002 . 1 . . 39 . . 39 GLU H . 25684 3 185 . 1 1 35 35 GLU HA H 1 4.283 . . 1 . . 274 . . 39 GLU HA . 25684 3 186 . 1 1 35 35 GLU HB2 H 1 2.070 0.002 . 2 . . 275 . . 39 GLU HB2 . 25684 3 187 . 1 1 35 35 GLU HB3 H 1 1.950 . . 2 . . 276 . . 39 GLU HB3 . 25684 3 188 . 1 1 35 35 GLU HG2 H 1 2.299 0.002 . 1 . . 277 . . 39 GLU HG2 . 25684 3 189 . 1 1 35 35 GLU N N 15 122.287 0.002 . 1 . . 40 . . 39 GLU N . 25684 3 190 . 1 1 36 36 ALA H H 1 8.254 0.003 . 1 . . 19 . . 40 ALA H . 25684 3 191 . 1 1 36 36 ALA HA H 1 4.259 . . 1 . . 328 . . 40 ALA HA . 25684 3 192 . 1 1 36 36 ALA HB1 H 1 1.402 0.0 . 1 . . 279 . . 40 ALA HB1 . 25684 3 193 . 1 1 36 36 ALA HB2 H 1 1.402 0.0 . 1 . . 279 . . 40 ALA HB2 . 25684 3 194 . 1 1 36 36 ALA HB3 H 1 1.402 0.0 . 1 . . 279 . . 40 ALA HB3 . 25684 3 195 . 1 1 36 36 ALA N N 15 124.163 0.0 . 1 . . 20 . . 40 ALA N . 25684 3 196 . 1 1 37 37 GLU H H 1 8.253 0.003 . 1 . . 43 . . 41 GLU H . 25684 3 197 . 1 1 37 37 GLU HA H 1 4.291 . . 1 . . 280 . . 41 GLU HA . 25684 3 198 . 1 1 37 37 GLU HB2 H 1 2.069 0.003 . 2 . . 283 . . 41 GLU HB2 . 25684 3 199 . 1 1 37 37 GLU HB3 H 1 1.946 0.0 . 2 . . 284 . . 41 GLU HB3 . 25684 3 200 . 1 1 37 37 GLU HG3 H 1 2.283 0.0 . 1 . . 282 . . 41 GLU HG3 . 25684 3 201 . 1 1 37 37 GLU N N 15 119.567 . . 1 . . 44 . . 41 GLU N . 25684 3 202 . 1 1 38 38 GLU H H 1 8.313 0.003 . 1 . . 41 . . 42 GLU H . 25684 3 203 . 1 1 38 38 GLU HA H 1 4.289 . . 1 . . 329 . . 42 GLU HA . 25684 3 204 . 1 1 38 38 GLU HB2 H 1 2.065 . . 2 . . 287 . . 42 GLU HB2 . 25684 3 205 . 1 1 38 38 GLU HB3 H 1 1.948 . . 2 . . 288 . . 42 GLU HB3 . 25684 3 206 . 1 1 38 38 GLU HG2 H 1 2.283 . . 1 . . 286 . . 42 GLU HG2 . 25684 3 207 . 1 1 38 38 GLU N N 15 122.512 0.005 . 1 . . 42 . . 42 GLU N . 25684 3 208 . 1 1 39 39 LYS H H 1 7.932 0.002 . 1 . . 31 . . 43 LYS H . 25684 3 209 . 1 1 39 39 LYS HA H 1 4.305 . . 1 . . 292 . . 43 LYS HA . 25684 3 210 . 1 1 39 39 LYS HB2 H 1 1.832 . . 2 . . 300 . . 43 LYS HB2 . 25684 3 211 . 1 1 39 39 LYS HB3 H 1 1.710 . . 2 . . 303 . . 43 LYS HB3 . 25684 3 212 . 1 1 39 39 LYS HE2 H 1 2.589 . . 1 . . 340 . . 43 LYS HE2 . 25684 3 213 . 1 1 39 39 LYS N N 15 127.795 0.0 . 1 . . 32 . . 43 LYS N . 25684 3 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_assigned_chem_shift_list_1_2_3_4 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1_2_3_4 _Assigned_chem_shift_list.Entry_ID 25684 _Assigned_chem_shift_list.ID 4 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $1 _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 $wr10_43_1 isotropic 25684 4 2 'HNCACB (H[N[ca[CB]]])' 1 $wr10_43_1 isotropic 25684 4 3 '3D HNCA' 1 $wr10_43_1 isotropic 25684 4 5 'HNCACO (H[N[ca[CO]]])' 1 $wr10_43_1 isotropic 25684 4 6 'HCCONH (HccoNH)' 1 $wr10_43_1 isotropic 25684 4 7 'CCONH (hC_cacoNH.relayed)' 1 $wr10_43_1 isotropic 25684 4 8 '3D HCCH-TOCSY' 1 $wr10_43_1 isotropic 25684 4 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 . . 25684 4 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA HA H 1 4.415 . . 1 . . 193 . . 6 ALA HA . 25684 4 2 . 1 1 2 2 ALA HB1 H 1 1.451 . . 1 . . 194 . . 6 ALA HB1 . 25684 4 3 . 1 1 2 2 ALA HB2 H 1 1.451 . . 1 . . 194 . . 6 ALA HB2 . 25684 4 4 . 1 1 2 2 ALA HB3 H 1 1.451 . . 1 . . 194 . . 6 ALA HB3 . 25684 4 5 . 1 1 2 2 ALA C C 13 177.833 . . 1 . . 192 . . 6 ALA C . 25684 4 6 . 1 1 2 2 ALA CA C 13 52.253 . . 1 . . 73 . . 6 ALA CA . 25684 4 7 . 1 1 2 2 ALA CB C 13 19.149 0.005 . 1 . . 159 . . 6 ALA CB . 25684 4 8 . 1 1 3 3 MET H H 1 8.560 0.004 . 1 . . 7 . . 7 MET H . 25684 4 9 . 1 1 3 3 MET HA H 1 4.501 0.008 . 1 . . 195 . . 7 MET HA . 25684 4 10 . 1 1 3 3 MET HB2 H 1 2.633 0.03 . 1 . . 198 . . 7 MET HB2 . 25684 4 11 . 1 1 3 3 MET HG2 H 1 2.161 0.009 . 2 . . 196 . . 7 MET HG2 . 25684 4 12 . 1 1 3 3 MET HG3 H 1 2.074 0.003 . 2 . . 197 . . 7 MET HG3 . 25684 4 13 . 1 1 3 3 MET C C 13 176.651 0.001 . 1 . . 132 . . 7 MET C . 25684 4 14 . 1 1 3 3 MET CA C 13 55.205 0.029 . 1 . . 72 . . 7 MET CA . 25684 4 15 . 1 1 3 3 MET CB C 13 32.401 0.007 . 1 . . 56 . . 7 MET CB . 25684 4 16 . 1 1 3 3 MET CG C 13 31.512 . . 1 . . 160 . . 7 MET CG . 25684 4 17 . 1 1 3 3 MET N N 15 119.291 0.0 . 1 . . 8 . . 7 MET N . 25684 4 18 . 1 1 4 4 GLY H H 1 8.407 0.007 . 1 . . 25 . . 8 GLY H . 25684 4 19 . 1 1 4 4 GLY HA2 H 1 4.045 0.031 . 1 . . 199 . . 8 GLY HA2 . 25684 4 20 . 1 1 4 4 GLY C C 13 174.067 . . 1 . . 131 . . 8 GLY C . 25684 4 21 . 1 1 4 4 GLY CA C 13 44.876 0.011 . 1 . . 81 . . 8 GLY CA . 25684 4 22 . 1 1 4 4 GLY N N 15 109.980 0.007 . 1 . . 26 . . 8 GLY N . 25684 4 23 . 1 1 5 5 SER H H 1 8.168 0.005 . 1 . . 49 . . 9 SER H . 25684 4 24 . 1 1 5 5 SER HA H 1 4.562 . . 1 . . 200 . . 9 SER HA . 25684 4 25 . 1 1 5 5 SER HB2 H 1 3.925 . . 1 . . 201 . . 9 SER HB2 . 25684 4 26 . 1 1 5 5 SER C C 13 174.726 0.003 . 1 . . 133 . . 9 SER C . 25684 4 27 . 1 1 5 5 SER CA C 13 57.836 0.147 . 1 . . 76 . . 9 SER CA . 25684 4 28 . 1 1 5 5 SER CB C 13 63.683 0.013 . 1 . . 106 . . 9 SER CB . 25684 4 29 . 1 1 5 5 SER N N 15 115.641 0.004 . 1 . . 50 . . 9 SER N . 25684 4 30 . 1 1 6 6 VAL H H 1 8.203 0.006 . 1 . . 11 . . 10 VAL H . 25684 4 31 . 1 1 6 6 VAL HA H 1 4.222 0.01 . 1 . . 202 . . 10 VAL HA . 25684 4 32 . 1 1 6 6 VAL HB H 1 2.162 0.008 . 1 . . 203 . . 10 VAL HB . 25684 4 33 . 1 1 6 6 VAL HG11 H 1 0.964 0.016 . 1 . . 204 . . 10 VAL HG11 . 25684 4 34 . 1 1 6 6 VAL HG12 H 1 0.964 0.016 . 1 . . 204 . . 10 VAL HG12 . 25684 4 35 . 1 1 6 6 VAL HG13 H 1 0.964 0.016 . 1 . . 204 . . 10 VAL HG13 . 25684 4 36 . 1 1 6 6 VAL C C 13 175.850 0.007 . 1 . . 134 . . 10 VAL C . 25684 4 37 . 1 1 6 6 VAL CA C 13 61.960 0.068 . 1 . . 75 . . 10 VAL CA . 25684 4 38 . 1 1 6 6 VAL CB C 13 32.286 0.202 . 1 . . 59 . . 10 VAL CB . 25684 4 39 . 1 1 6 6 VAL CG1 C 13 20.766 . . 2 . . 162 . . 10 VAL CG1 . 25684 4 40 . 1 1 6 6 VAL CG2 C 13 19.756 0.015 . 2 . . 161 . . 10 VAL CG2 . 25684 4 41 . 1 1 6 6 VAL N N 15 120.804 0.007 . 1 . . 12 . . 10 VAL N . 25684 4 42 . 1 1 7 7 ASP H H 1 8.355 0.022 . 1 . . 35 . . 11 ASP H . 25684 4 43 . 1 1 7 7 ASP HA H 1 4.677 0.012 . 1 . . 207 . . 11 ASP HA . 25684 4 44 . 1 1 7 7 ASP HB2 H 1 2.761 0.013 . 2 . . 205 . . 11 ASP HB2 . 25684 4 45 . 1 1 7 7 ASP HB3 H 1 2.657 0.009 . 2 . . 206 . . 11 ASP HB3 . 25684 4 46 . 1 1 7 7 ASP C C 13 176.315 0.005 . 1 . . 135 . . 11 ASP C . 25684 4 47 . 1 1 7 7 ASP CA C 13 53.867 0.058 . 1 . . 87 . . 11 ASP CA . 25684 4 48 . 1 1 7 7 ASP CB C 13 41.116 0.023 . 1 . . 163 . . 11 ASP CB . 25684 4 49 . 1 1 7 7 ASP N N 15 123.132 0.17 . 1 . . 36 . . 11 ASP N . 25684 4 50 . 1 1 8 8 SER H H 1 8.181 0.009 . 1 . . 51 . . 12 SER H . 25684 4 51 . 1 1 8 8 SER HA H 1 4.431 0.015 . 1 . . 208 . . 12 SER HA . 25684 4 52 . 1 1 8 8 SER HB2 H 1 3.948 0.013 . 2 . . 209 . . 12 SER HB2 . 25684 4 53 . 1 1 8 8 SER HB3 H 1 3.874 0.024 . 2 . . 210 . . 12 SER HB3 . 25684 4 54 . 1 1 8 8 SER C C 13 174.588 0.004 . 1 . . 136 . . 12 SER C . 25684 4 55 . 1 1 8 8 SER CA C 13 58.009 0.071 . 1 . . 94 . . 12 SER CA . 25684 4 56 . 1 1 8 8 SER CB C 13 63.565 0.089 . 1 . . 93 . . 12 SER CB . 25684 4 57 . 1 1 8 8 SER N N 15 116.170 0.064 . 1 . . 52 . . 12 SER N . 25684 4 58 . 1 1 9 9 ALA H H 1 8.375 0.007 . 1 . . 15 . . 13 ALA H . 25684 4 59 . 1 1 9 9 ALA HA H 1 4.340 0.012 . 1 . . 211 . . 13 ALA HA . 25684 4 60 . 1 1 9 9 ALA HB1 H 1 1.438 0.008 . 1 . . 212 . . 13 ALA HB1 . 25684 4 61 . 1 1 9 9 ALA HB2 H 1 1.438 0.008 . 1 . . 212 . . 13 ALA HB2 . 25684 4 62 . 1 1 9 9 ALA HB3 H 1 1.438 0.008 . 1 . . 212 . . 13 ALA HB3 . 25684 4 63 . 1 1 9 9 ALA C C 13 177.615 0.004 . 1 . . 137 . . 13 ALA C . 25684 4 64 . 1 1 9 9 ALA CA C 13 52.459 0.012 . 1 . . 77 . . 13 ALA CA . 25684 4 65 . 1 1 9 9 ALA CB C 13 18.858 0.01 . 1 . . 60 . . 13 ALA CB . 25684 4 66 . 1 1 9 9 ALA N N 15 125.705 0.003 . 1 . . 16 . . 13 ALA N . 25684 4 67 . 1 1 10 10 ASP H H 1 8.163 0.006 . 1 . . 9 . . 14 ASP H . 25684 4 68 . 1 1 10 10 ASP HA H 1 4.600 0.014 . 1 . . 213 . . 14 ASP HA . 25684 4 69 . 1 1 10 10 ASP HB2 H 1 2.745 0.022 . 2 . . 214 . . 14 ASP HB2 . 25684 4 70 . 1 1 10 10 ASP HB3 H 1 2.666 0.009 . 2 . . 215 . . 14 ASP HB3 . 25684 4 71 . 1 1 10 10 ASP C C 13 176.271 0.007 . 1 . . 138 . . 14 ASP C . 25684 4 72 . 1 1 10 10 ASP CA C 13 53.771 0.086 . 1 . . 74 . . 14 ASP CA . 25684 4 73 . 1 1 10 10 ASP CB C 13 41.060 0.028 . 1 . . 57 . . 14 ASP CB . 25684 4 74 . 1 1 10 10 ASP N N 15 118.864 0.028 . 1 . . 10 . . 14 ASP N . 25684 4 75 . 1 1 11 11 ALA H H 1 8.189 0.007 . 1 . . 37 . . 15 ALA H . 25684 4 76 . 1 1 11 11 ALA HA H 1 4.381 0.004 . 1 . . 217 . . 15 ALA HA . 25684 4 77 . 1 1 11 11 ALA HB1 H 1 1.452 0.017 . 1 . . 216 . . 15 ALA HB1 . 25684 4 78 . 1 1 11 11 ALA HB2 H 1 1.452 0.017 . 1 . . 216 . . 15 ALA HB2 . 25684 4 79 . 1 1 11 11 ALA HB3 H 1 1.452 0.017 . 1 . . 216 . . 15 ALA HB3 . 25684 4 80 . 1 1 11 11 ALA C C 13 178.378 . . 1 . . 139 . . 15 ALA C . 25684 4 81 . 1 1 11 11 ALA CA C 13 52.406 0.004 . 1 . . 88 . . 15 ALA CA . 25684 4 82 . 1 1 11 11 ALA CB C 13 18.903 0.013 . 1 . . 103 . . 15 ALA CB . 25684 4 83 . 1 1 11 11 ALA N N 15 124.558 0.004 . 1 . . 38 . . 15 ALA N . 25684 4 84 . 1 1 12 12 GLY H H 1 8.401 0.005 . 1 . . 47 . . 16 GLY H . 25684 4 85 . 1 1 12 12 GLY HA2 H 1 4.052 . . 2 . . 218 . . 16 GLY HA2 . 25684 4 86 . 1 1 12 12 GLY HA3 H 1 4.004 . . 2 . . 219 . . 16 GLY HA3 . 25684 4 87 . 1 1 12 12 GLY C C 13 174.968 0.001 . 1 . . 140 . . 16 GLY C . 25684 4 88 . 1 1 12 12 GLY CA C 13 45.063 0.009 . 1 . . 92 . . 16 GLY CA . 25684 4 89 . 1 1 12 12 GLY N N 15 107.563 0.016 . 1 . . 48 . . 16 GLY N . 25684 4 90 . 1 1 13 13 GLY H H 1 8.263 0.004 . 1 . . 45 . . 17 GLY H . 25684 4 91 . 1 1 13 13 GLY HA2 H 1 4.072 . . 2 . . 220 . . 17 GLY HA2 . 25684 4 92 . 1 1 13 13 GLY HA3 H 1 4.021 . . 2 . . 221 . . 17 GLY HA3 . 25684 4 93 . 1 1 13 13 GLY C C 13 174.877 0.001 . 1 . . 141 . . 17 GLY C . 25684 4 94 . 1 1 13 13 GLY CA C 13 44.958 0.001 . 1 . . 104 . . 17 GLY CA . 25684 4 95 . 1 1 13 13 GLY N N 15 108.445 0.003 . 1 . . 46 . . 17 GLY N . 25684 4 96 . 1 1 14 14 GLY H H 1 8.411 0.003 . 1 . . 13 . . 18 GLY H . 25684 4 97 . 1 1 14 14 GLY HA2 H 1 4.093 . . 2 . . 222 . . 18 GLY HA2 . 25684 4 98 . 1 1 14 14 GLY HA3 H 1 4.051 . . 2 . . 223 . . 18 GLY HA3 . 25684 4 99 . 1 1 14 14 GLY C C 13 174.354 . . 1 . . 142 . . 18 GLY C . 25684 4 100 . 1 1 14 14 GLY CA C 13 44.901 0.022 . 1 . . 105 . . 18 GLY CA . 25684 4 101 . 1 1 14 14 GLY N N 15 108.770 0.008 . 1 . . 14 . . 18 GLY N . 25684 4 102 . 1 1 15 15 SER H H 1 8.365 0.005 . 1 . . 33 . . 19 SER H . 25684 4 103 . 1 1 15 15 SER HA H 1 4.493 0.013 . 1 . . 224 . . 19 SER HA . 25684 4 104 . 1 1 15 15 SER HB2 H 1 3.910 0.011 . 2 . . 225 . . 19 SER HB2 . 25684 4 105 . 1 1 15 15 SER HB3 H 1 3.808 . . 2 . . 404 . . 19 SER HB3 . 25684 4 106 . 1 1 15 15 SER C C 13 175.212 0.001 . 1 . . 143 . . 19 SER C . 25684 4 107 . 1 1 15 15 SER CA C 13 58.194 0.048 . 1 . . 86 . . 19 SER CA . 25684 4 108 . 1 1 15 15 SER CB C 13 63.638 0.008 . 1 . . 67 . . 19 SER CB . 25684 4 109 . 1 1 15 15 SER N N 15 115.273 0.011 . 1 . . 34 . . 19 SER N . 25684 4 110 . 1 1 16 16 GLY H H 1 8.515 0.004 . 1 . . 23 . . 20 GLY H . 25684 4 111 . 1 1 16 16 GLY HA2 H 1 4.079 . . 2 . . 226 . . 20 GLY HA2 . 25684 4 112 . 1 1 16 16 GLY HA3 H 1 3.973 . . 2 . . 312 . . 20 GLY HA3 . 25684 4 113 . 1 1 16 16 GLY C C 13 174.950 0.005 . 1 . . 144 . . 20 GLY C . 25684 4 114 . 1 1 16 16 GLY CA C 13 45.342 0.01 . 1 . . 80 . . 20 GLY CA . 25684 4 115 . 1 1 16 16 GLY N N 15 110.641 0.01 . 1 . . 24 . . 20 GLY N . 25684 4 116 . 1 1 17 17 TRP H H 1 8.470 0.004 . 1 . . 21 . . 21 TRP H . 25684 4 117 . 1 1 17 17 TRP HA H 1 4.559 . . 1 . . 227 . . 21 TRP HA . 25684 4 118 . 1 1 17 17 TRP HB2 H 1 3.366 0.04 . 2 . . 228 . . 21 TRP HB2 . 25684 4 119 . 1 1 17 17 TRP HB3 H 1 3.195 . . 2 . . 386 . . 21 TRP HB3 . 25684 4 120 . 1 1 17 17 TRP HD1 H 1 7.408 . . 1 . . 403 . . 21 TRP HD1 . 25684 4 121 . 1 1 17 17 TRP HE1 H 1 10.635 . . 1 . . 406 . . 21 TRP HE1 . 25684 4 122 . 1 1 17 17 TRP HZ2 H 1 7.371 . . 1 . . 392 . . 21 TRP HZ2 . 25684 4 123 . 1 1 17 17 TRP C C 13 176.720 0.01 . 1 . . 145 . . 21 TRP C . 25684 4 124 . 1 1 17 17 TRP CA C 13 58.473 0.005 . 1 . . 79 . . 21 TRP CA . 25684 4 125 . 1 1 17 17 TRP CB C 13 28.961 0.006 . 1 . . 62 . . 21 TRP CB . 25684 4 126 . 1 1 17 17 TRP N N 15 121.655 0.003 . 1 . . 22 . . 21 TRP N . 25684 4 127 . 1 1 18 18 LEU H H 1 8.158 0.036 . 1 . . 17 . . 22 LEU H . 25684 4 128 . 1 1 18 18 LEU HA H 1 4.115 . . 1 . . 229 . . 22 LEU HA . 25684 4 129 . 1 1 18 18 LEU HB2 H 1 1.553 . . 2 . . 230 . . 22 LEU HB2 . 25684 4 130 . 1 1 18 18 LEU HB3 H 1 1.441 . . 2 . . 355 . . 22 LEU HB3 . 25684 4 131 . 1 1 18 18 LEU HG H 1 1.293 . . 1 . . 231 . . 22 LEU HG . 25684 4 132 . 1 1 18 18 LEU HD11 H 1 0.697 0.071 . 1 . . 289 . . 22 LEU HD11 . 25684 4 133 . 1 1 18 18 LEU HD12 H 1 0.697 0.071 . 1 . . 289 . . 22 LEU HD12 . 25684 4 134 . 1 1 18 18 LEU HD13 H 1 0.697 0.071 . 1 . . 289 . . 22 LEU HD13 . 25684 4 135 . 1 1 18 18 LEU HD21 H 1 0.767 0.001 . 1 . . 381 . . 22 LEU HD21 . 25684 4 136 . 1 1 18 18 LEU HD22 H 1 0.767 0.001 . 1 . . 381 . . 22 LEU HD22 . 25684 4 137 . 1 1 18 18 LEU HD23 H 1 0.767 0.001 . 1 . . 381 . . 22 LEU HD23 . 25684 4 138 . 1 1 18 18 LEU C C 13 177.419 0.003 . 1 . . 146 . . 22 LEU C . 25684 4 139 . 1 1 18 18 LEU CA C 13 55.793 0.226 . 1 . . 69 . . 22 LEU CA . 25684 4 140 . 1 1 18 18 LEU CB C 13 41.505 0.088 . 1 . . 61 . . 22 LEU CB . 25684 4 141 . 1 1 18 18 LEU CG C 13 26.543 . . 1 . . 166 . . 22 LEU CG . 25684 4 142 . 1 1 18 18 LEU CD1 C 13 23.714 0.055 . 1 . . 164 . . 22 LEU CD1 . 25684 4 143 . 1 1 18 18 LEU CD2 C 13 24.663 0.012 . 1 . . 165 . . 22 LEU CD2 . 25684 4 144 . 1 1 18 18 LEU N N 15 118.878 0.36 . 1 . . 18 . . 22 LEU N . 25684 4 145 . 1 1 19 19 THR H H 1 7.747 0.026 . 1 . . 1 . . 23 THR H . 25684 4 146 . 1 1 19 19 THR HA H 1 4.057 . . 1 . . 233 . . 23 THR HA . 25684 4 147 . 1 1 19 19 THR HB H 1 4.231 . . 1 . . 314 . . 23 THR HB . 25684 4 148 . 1 1 19 19 THR HG21 H 1 1.254 . . 1 . . 317 . . 23 THR HG21 . 25684 4 149 . 1 1 19 19 THR HG22 H 1 1.254 . . 1 . . 317 . . 23 THR HG22 . 25684 4 150 . 1 1 19 19 THR HG23 H 1 1.254 . . 1 . . 317 . . 23 THR HG23 . 25684 4 151 . 1 1 19 19 THR C C 13 175.755 . . 1 . . 147 . . 23 THR C . 25684 4 152 . 1 1 19 19 THR CA C 13 63.781 0.019 . 1 . . 68 . . 23 THR CA . 25684 4 153 . 1 1 19 19 THR CB C 13 68.894 0.058 . 1 . . 53 . . 23 THR CB . 25684 4 154 . 1 1 19 19 THR N N 15 111.294 0.383 . 1 . . 2 . . 23 THR N . 25684 4 155 . 1 1 20 20 GLY H H 1 8.351 . . 1 . . 313 . . 24 GLY H . 25684 4 156 . 1 1 20 20 GLY HA2 H 1 3.955 . . 2 . . 235 . . 24 GLY HA2 . 25684 4 157 . 1 1 20 20 GLY HA3 H 1 3.818 . . 2 . . 315 . . 24 GLY HA3 . 25684 4 158 . 1 1 20 20 GLY C C 13 174.084 0.003 . 1 . . 148 . . 24 GLY C . 25684 4 159 . 1 1 20 20 GLY CA C 13 45.503 0.001 . 1 . . 109 . . 24 GLY CA . 25684 4 160 . 1 1 20 20 GLY N N 15 109.671 0.034 . 1 . . 107 . . 24 GLY N . 25684 4 161 . 1 1 21 21 TRP H H 1 7.835 0.003 . 1 . . 3 . . 25 TRP H . 25684 4 162 . 1 1 21 21 TRP HA H 1 4.574 . . 1 . . 238 . . 25 TRP HA . 25684 4 163 . 1 1 21 21 TRP HB2 H 1 3.359 . . 2 . . 236 . . 25 TRP HB2 . 25684 4 164 . 1 1 21 21 TRP HB3 H 1 3.228 . . 2 . . 237 . . 25 TRP HB3 . 25684 4 165 . 1 1 21 21 TRP HD1 H 1 7.170 . . 1 . . 405 . . 25 TRP HD1 . 25684 4 166 . 1 1 21 21 TRP HE1 H 1 10.184 . . 1 . . 407 . . 25 TRP HE1 . 25684 4 167 . 1 1 21 21 TRP HZ2 H 1 7.381 . . 1 . . 391 . . 25 TRP HZ2 . 25684 4 168 . 1 1 21 21 TRP C C 13 175.364 0.014 . 1 . . 149 . . 25 TRP C . 25684 4 169 . 1 1 21 21 TRP CA C 13 57.410 0.031 . 1 . . 70 . . 25 TRP CA . 25684 4 170 . 1 1 21 21 TRP CB C 13 30.052 0.032 . 1 . . 54 . . 25 TRP CB . 25684 4 171 . 1 1 21 21 TRP N N 15 119.612 0.033 . 1 . . 4 . . 25 TRP N . 25684 4 172 . 1 1 22 22 LEU H H 1 7.470 0.03 . 1 . . 5 . . 26 LEU H . 25684 4 173 . 1 1 22 22 LEU HA H 1 4.197 . . 1 . . 387 . . 26 LEU HA . 25684 4 174 . 1 1 22 22 LEU HB2 H 1 1.472 . . 2 . . 309 . . 26 LEU HB2 . 25684 4 175 . 1 1 22 22 LEU HB3 H 1 1.515 . . 2 . . 362 . . 26 LEU HB3 . 25684 4 176 . 1 1 22 22 LEU HG H 1 1.262 . . 1 . . 370 . . 26 LEU HG . 25684 4 177 . 1 1 22 22 LEU HD11 H 1 0.765 . . 2 . . 408 . . 26 LEU HD11 . 25684 4 178 . 1 1 22 22 LEU HD12 H 1 0.765 . . 2 . . 408 . . 26 LEU HD12 . 25684 4 179 . 1 1 22 22 LEU HD13 H 1 0.765 . . 2 . . 408 . . 26 LEU HD13 . 25684 4 180 . 1 1 22 22 LEU HD21 H 1 0.699 . . 1 . . 414 . . 26 LEU HD21 . 25684 4 181 . 1 1 22 22 LEU HD22 H 1 0.699 . . 1 . . 414 . . 26 LEU HD22 . 25684 4 182 . 1 1 22 22 LEU HD23 H 1 0.699 . . 1 . . 414 . . 26 LEU HD23 . 25684 4 183 . 1 1 22 22 LEU C C 13 174.672 . . 1 . . 150 . . 26 LEU C . 25684 4 184 . 1 1 22 22 LEU CA C 13 52.103 . . 1 . . 71 . . 26 LEU CA . 25684 4 185 . 1 1 22 22 LEU CB C 13 41.671 . . 1 . . 55 . . 26 LEU CB . 25684 4 186 . 1 1 22 22 LEU N N 15 119.606 0.484 . 1 . . 6 . . 26 LEU N . 25684 4 187 . 1 1 23 23 PRO HA H 1 4.321 . . 1 . . 371 . . 27 PRO HA . 25684 4 188 . 1 1 23 23 PRO HB2 H 1 1.728 . . 1 . . 372 . . 27 PRO HB2 . 25684 4 189 . 1 1 23 23 PRO HB3 H 1 1.728 . . 1 . . 373 . . 27 PRO HB3 . 25684 4 190 . 1 1 23 23 PRO HG2 H 1 1.369 . . 1 . . 331 . . 27 PRO HG2 . 25684 4 191 . 1 1 23 23 PRO HG3 H 1 1.369 . . 1 . . 342 . . 27 PRO HG3 . 25684 4 192 . 1 1 23 23 PRO HD2 H 1 3.588 . . 1 . . 375 . . 27 PRO HD2 . 25684 4 193 . 1 1 23 23 PRO HD3 H 1 3.588 . . 1 . . 388 . . 27 PRO HD3 . 25684 4 194 . 1 1 23 23 PRO C C 13 176.235 . . 1 . . 191 . . 27 PRO C . 25684 4 195 . 1 1 23 23 PRO CA C 13 62.766 0.096 . 1 . . 112 . . 27 PRO CA . 25684 4 196 . 1 1 23 23 PRO CB C 13 31.238 . . 1 . . 113 . . 27 PRO CB . 25684 4 197 . 1 1 24 24 THR H H 1 7.941 0.001 . 1 . . 111 . . 28 THR H . 25684 4 198 . 1 1 24 24 THR HA H 1 4.241 . . 1 . . 240 . . 28 THR HA . 25684 4 199 . 1 1 24 24 THR HB H 1 4.170 . . 1 . . 296 . . 28 THR HB . 25684 4 200 . 1 1 24 24 THR HG21 H 1 1.226 . . 1 . . 239 . . 28 THR HG21 . 25684 4 201 . 1 1 24 24 THR HG22 H 1 1.226 . . 1 . . 239 . . 28 THR HG22 . 25684 4 202 . 1 1 24 24 THR HG23 H 1 1.226 . . 1 . . 239 . . 28 THR HG23 . 25684 4 203 . 1 1 24 24 THR C C 13 174.484 . . 1 . . 190 . . 28 THR C . 25684 4 204 . 1 1 24 24 THR CA C 13 62.015 0.117 . 1 . . 167 . . 28 THR CA . 25684 4 205 . 1 1 24 24 THR CB C 13 69.059 0.052 . 1 . . 116 . . 28 THR CB . 25684 4 206 . 1 1 24 24 THR N N 15 111.325 0.007 . 1 . . 110 . . 28 THR N . 25684 4 207 . 1 1 25 25 TRP H H 1 7.854 0.008 . 1 . . 115 . . 29 TRP H . 25684 4 208 . 1 1 25 25 TRP HA H 1 4.363 . . 1 . . 241 . . 29 TRP HA . 25684 4 209 . 1 1 25 25 TRP HB2 H 1 3.412 . . 2 . . 242 . . 29 TRP HB2 . 25684 4 210 . 1 1 25 25 TRP HB3 H 1 3.316 . . 2 . . 243 . . 29 TRP HB3 . 25684 4 211 . 1 1 25 25 TRP HD1 H 1 7.287 . . 1 . . 390 . . 29 TRP HD1 . 25684 4 212 . 1 1 25 25 TRP HE1 H 1 10.716 . . 1 . . 385 . . 29 TRP HE1 . 25684 4 213 . 1 1 25 25 TRP HZ2 H 1 7.392 . . 1 . . 409 . . 29 TRP HZ2 . 25684 4 214 . 1 1 25 25 TRP C C 13 175.333 0.001 . 1 . . 189 . . 29 TRP C . 25684 4 215 . 1 1 25 25 TRP CA C 13 56.999 0.001 . 1 . . 117 . . 29 TRP CA . 25684 4 216 . 1 1 25 25 TRP CB C 13 29.825 0.008 . 1 . . 347 . . 29 TRP CB . 25684 4 217 . 1 1 25 25 TRP N N 15 121.829 0.005 . 1 . . 114 . . 29 TRP N . 25684 4 218 . 1 1 26 26 CYS H H 1 8.095 0.004 . 1 . . 157 . . 30 CYS H . 25684 4 219 . 1 1 26 26 CYS HA H 1 4.463 . . 1 . . 398 . . 30 CYS HA . 25684 4 220 . 1 1 26 26 CYS HB2 H 1 2.713 . . 2 . . 290 . . 30 CYS HB2 . 25684 4 221 . 1 1 26 26 CYS HB3 H 1 2.275 . . 2 . . 396 . . 30 CYS HB3 . 25684 4 222 . 1 1 26 26 CYS C C 13 172.496 . . 1 . . 188 . . 30 CYS C . 25684 4 223 . 1 1 26 26 CYS N N 15 118.755 0.063 . 1 . . 156 . . 30 CYS N . 25684 4 224 . 1 1 27 27 PRO HA H 1 4.492 . . 1 . . 244 . . 31 PRO HA . 25684 4 225 . 1 1 27 27 PRO HB2 H 1 1.982 0.016 . 2 . . 246 . . 31 PRO HB2 . 25684 4 226 . 1 1 27 27 PRO HB3 H 1 2.307 0.01 . 2 . . 247 . . 31 PRO HB3 . 25684 4 227 . 1 1 27 27 PRO HG2 H 1 2.093 . . 2 . . 394 . . 31 PRO HG2 . 25684 4 228 . 1 1 27 27 PRO HG3 H 1 1.937 . . 2 . . 395 . . 31 PRO HG3 . 25684 4 229 . 1 1 27 27 PRO HD2 H 1 3.696 . . 2 . . 245 . . 31 PRO HD2 . 25684 4 230 . 1 1 27 27 PRO HD3 H 1 3.736 . . 2 . . 357 . . 31 PRO HD3 . 25684 4 231 . 1 1 27 27 PRO C C 13 176.934 . . 1 . . 151 . . 31 PRO C . 25684 4 232 . 1 1 27 27 PRO CA C 13 62.956 0.025 . 1 . . 127 . . 31 PRO CA . 25684 4 233 . 1 1 27 27 PRO CB C 13 31.581 0.0 . 1 . . 294 . . 31 PRO CB . 25684 4 234 . 1 1 27 27 PRO CG C 13 26.963 . . 1 . . 359 . . 31 PRO CG . 25684 4 235 . 1 1 28 28 THR H H 1 8.218 0.004 . 1 . . 124 . . 32 THR H . 25684 4 236 . 1 1 28 28 THR HA H 1 4.298 . . 1 . . 248 . . 32 THR HA . 25684 4 237 . 1 1 28 28 THR HB H 1 4.398 . . 1 . . 249 . . 32 THR HB . 25684 4 238 . 1 1 28 28 THR HG21 H 1 1.258 . . 1 . . 250 . . 32 THR HG21 . 25684 4 239 . 1 1 28 28 THR HG22 H 1 1.258 . . 1 . . 250 . . 32 THR HG22 . 25684 4 240 . 1 1 28 28 THR HG23 H 1 1.258 . . 1 . . 250 . . 32 THR HG23 . 25684 4 241 . 1 1 28 28 THR C C 13 174.777 0.005 . 1 . . 152 . . 32 THR C . 25684 4 242 . 1 1 28 28 THR CA C 13 61.415 . . 1 . . 121 . . 32 THR CA . 25684 4 243 . 1 1 28 28 THR CB C 13 69.568 0.019 . 1 . . 125 . . 32 THR CB . 25684 4 244 . 1 1 28 28 THR CG2 C 13 21.585 . . 1 . . 168 . . 32 THR CG2 . 25684 4 245 . 1 1 28 28 THR N N 15 113.528 0.005 . 1 . . 123 . . 32 THR N . 25684 4 246 . 1 1 29 29 SER H H 1 8.291 0.003 . 1 . . 119 . . 33 SER H . 25684 4 247 . 1 1 29 29 SER HA H 1 4.579 . . 1 . . 251 . . 33 SER HA . 25684 4 248 . 1 1 29 29 SER HB2 H 1 3.966 . . 2 . . 252 . . 33 SER HB2 . 25684 4 249 . 1 1 29 29 SER HB3 H 1 3.908 . . 2 . . 253 . . 33 SER HB3 . 25684 4 250 . 1 1 29 29 SER C C 13 174.829 0.002 . 1 . . 153 . . 33 SER C . 25684 4 251 . 1 1 29 29 SER CA C 13 57.896 0.059 . 1 . . 122 . . 33 SER CA . 25684 4 252 . 1 1 29 29 SER CB C 13 63.639 0.016 . 1 . . 120 . . 33 SER CB . 25684 4 253 . 1 1 29 29 SER N N 15 117.608 0.01 . 1 . . 118 . . 33 SER N . 25684 4 254 . 1 1 30 30 THR H H 1 8.208 0.002 . 1 . . 129 . . 34 THR H . 25684 4 255 . 1 1 30 30 THR HA H 1 4.320 . . 1 . . 255 . . 34 THR HA . 25684 4 256 . 1 1 30 30 THR HB H 1 4.425 . . 1 . . 254 . . 34 THR HB . 25684 4 257 . 1 1 30 30 THR HG21 H 1 1.230 . . 1 . . 256 . . 34 THR HG21 . 25684 4 258 . 1 1 30 30 THR HG22 H 1 1.230 . . 1 . . 256 . . 34 THR HG22 . 25684 4 259 . 1 1 30 30 THR HG23 H 1 1.230 . . 1 . . 256 . . 34 THR HG23 . 25684 4 260 . 1 1 30 30 THR C C 13 174.741 0.004 . 1 . . 154 . . 34 THR C . 25684 4 261 . 1 1 30 30 THR CA C 13 61.508 0.084 . 1 . . 101 . . 34 THR CA . 25684 4 262 . 1 1 30 30 THR CB C 13 69.262 0.109 . 1 . . 130 . . 34 THR CB . 25684 4 263 . 1 1 30 30 THR CG2 C 13 21.292 . . 1 . . 169 . . 34 THR CG2 . 25684 4 264 . 1 1 30 30 THR N N 15 115.134 0.005 . 1 . . 128 . . 34 THR N . 25684 4 265 . 1 1 31 31 SER H H 1 8.223 0.005 . 1 . . 99 . . 35 SER H . 25684 4 266 . 1 1 31 31 SER HA H 1 4.269 . . 1 . . 326 . . 35 SER HA . 25684 4 267 . 1 1 31 31 SER HB2 H 1 3.736 . . 1 . . 291 . . 35 SER HB2 . 25684 4 268 . 1 1 31 31 SER C C 13 174.768 . . 1 . . 187 . . 35 SER C . 25684 4 269 . 1 1 31 31 SER CA C 13 58.407 . . 1 . . 102 . . 35 SER CA . 25684 4 270 . 1 1 31 31 SER CB C 13 63.538 . . 1 . . 100 . . 35 SER CB . 25684 4 271 . 1 1 31 31 SER N N 15 117.691 0.011 . 1 . . 98 . . 35 SER N . 25684 4 272 . 1 1 32 32 HIS H H 1 8.357 . . 1 . . 337 . . 36 HIS H . 25684 4 273 . 1 1 32 32 HIS HA H 1 4.746 . . 1 . . 257 . . 36 HIS HA . 25684 4 274 . 1 1 32 32 HIS HB2 H 1 3.295 . . 2 . . 258 . . 36 HIS HB2 . 25684 4 275 . 1 1 32 32 HIS HB3 H 1 3.173 . . 2 . . 259 . . 36 HIS HB3 . 25684 4 276 . 1 1 32 32 HIS C C 13 174.693 . . 1 . . 172 . . 36 HIS C . 25684 4 277 . 1 1 32 32 HIS CA C 13 55.423 . . 1 . . 83 . . 36 HIS CA . 25684 4 278 . 1 1 32 32 HIS CB C 13 29.382 . . 1 . . 63 . . 36 HIS CB . 25684 4 279 . 1 1 33 33 LEU H H 1 8.111 0.021 . 1 . . 27 . . 37 LEU H . 25684 4 280 . 1 1 33 33 LEU HA H 1 4.355 . . 1 . . 260 . . 37 LEU HA . 25684 4 281 . 1 1 33 33 LEU HB2 H 1 1.662 . . 2 . . 261 . . 37 LEU HB2 . 25684 4 282 . 1 1 33 33 LEU HB3 H 1 1.606 . . 2 . . 262 . . 37 LEU HB3 . 25684 4 283 . 1 1 33 33 LEU HG H 1 1.552 . . 1 . . 263 . . 37 LEU HG . 25684 4 284 . 1 1 33 33 LEU HD11 H 1 0.954 . . 2 . . 264 . . 37 LEU HD11 . 25684 4 285 . 1 1 33 33 LEU HD12 H 1 0.954 . . 2 . . 264 . . 37 LEU HD12 . 25684 4 286 . 1 1 33 33 LEU HD13 H 1 0.954 . . 2 . . 264 . . 37 LEU HD13 . 25684 4 287 . 1 1 33 33 LEU HD21 H 1 0.899 . . 2 . . 265 . . 37 LEU HD21 . 25684 4 288 . 1 1 33 33 LEU HD22 H 1 0.899 . . 2 . . 265 . . 37 LEU HD22 . 25684 4 289 . 1 1 33 33 LEU HD23 H 1 0.899 . . 2 . . 265 . . 37 LEU HD23 . 25684 4 290 . 1 1 33 33 LEU C C 13 177.088 0.005 . 1 . . 171 . . 37 LEU C . 25684 4 291 . 1 1 33 33 LEU CA C 13 54.856 0.02 . 1 . . 82 . . 37 LEU CA . 25684 4 292 . 1 1 33 33 LEU CB C 13 41.981 0.131 . 1 . . 64 . . 37 LEU CB . 25684 4 293 . 1 1 33 33 LEU CG C 13 26.405 . . 1 . . 173 . . 37 LEU CG . 25684 4 294 . 1 1 33 33 LEU CD1 C 13 24.488 . . 2 . . 174 . . 37 LEU CD1 . 25684 4 295 . 1 1 33 33 LEU CD2 C 13 22.988 . . 2 . . 175 . . 37 LEU CD2 . 25684 4 296 . 1 1 33 33 LEU N N 15 123.020 0.0 . 1 . . 28 . . 37 LEU N . 25684 4 297 . 1 1 34 34 LYS H H 1 8.248 0.014 . 1 . . 29 . . 38 LYS H . 25684 4 298 . 1 1 34 34 LYS HA H 1 4.351 0.004 . 1 . . 266 . . 38 LYS HA . 25684 4 299 . 1 1 34 34 LYS HB2 H 1 1.858 0.007 . 2 . . 272 . . 38 LYS HB2 . 25684 4 300 . 1 1 34 34 LYS HB3 H 1 1.802 0.006 . 2 . . 273 . . 38 LYS HB3 . 25684 4 301 . 1 1 34 34 LYS HG2 H 1 1.504 . . 2 . . 268 . . 38 LYS HG2 . 25684 4 302 . 1 1 34 34 LYS HG3 H 1 1.459 0.005 . 2 . . 269 . . 38 LYS HG3 . 25684 4 303 . 1 1 34 34 LYS HD2 H 1 1.720 0.001 . 2 . . 270 . . 38 LYS HD2 . 25684 4 304 . 1 1 34 34 LYS HD3 H 1 1.756 . . 2 . . 271 . . 38 LYS HD3 . 25684 4 305 . 1 1 34 34 LYS HE2 H 1 3.033 0.009 . 1 . . 267 . . 38 LYS HE2 . 25684 4 306 . 1 1 34 34 LYS C C 13 176.563 0.008 . 1 . . 170 . . 38 LYS C . 25684 4 307 . 1 1 34 34 LYS CA C 13 55.971 0.005 . 1 . . 84 . . 38 LYS CA . 25684 4 308 . 1 1 34 34 LYS CB C 13 32.642 0.122 . 1 . . 65 . . 38 LYS CB . 25684 4 309 . 1 1 34 34 LYS CG C 13 24.285 . . 1 . . 178 . . 38 LYS CG . 25684 4 310 . 1 1 34 34 LYS CD C 13 28.565 0.0 . 1 . . 177 . . 38 LYS CD . 25684 4 311 . 1 1 34 34 LYS CE C 13 41.489 . . 1 . . 176 . . 38 LYS CE . 25684 4 312 . 1 1 34 34 LYS N N 15 121.958 0.0 . 1 . . 30 . . 38 LYS N . 25684 4 313 . 1 1 35 35 GLU H H 1 8.449 0.007 . 1 . . 39 . . 39 GLU H . 25684 4 314 . 1 1 35 35 GLU HA H 1 4.267 0.015 . 1 . . 274 . . 39 GLU HA . 25684 4 315 . 1 1 35 35 GLU HB2 H 1 2.109 0.0 . 2 . . 275 . . 39 GLU HB2 . 25684 4 316 . 1 1 35 35 GLU HB3 H 1 1.982 0.002 . 2 . . 276 . . 39 GLU HB3 . 25684 4 317 . 1 1 35 35 GLU HG2 H 1 2.328 0.003 . 2 . . 277 . . 39 GLU HG2 . 25684 4 318 . 1 1 35 35 GLU HG3 H 1 1.998 . . 2 . . 413 . . 39 GLU HG3 . 25684 4 319 . 1 1 35 35 GLU C C 13 176.271 0.0 . 1 . . 180 . . 39 GLU C . 25684 4 320 . 1 1 35 35 GLU CA C 13 56.333 0.004 . 1 . . 89 . . 39 GLU CA . 25684 4 321 . 1 1 35 35 GLU CB C 13 29.979 0.029 . 1 . . 97 . . 39 GLU CB . 25684 4 322 . 1 1 35 35 GLU CG C 13 35.588 . . 1 . . 179 . . 39 GLU CG . 25684 4 323 . 1 1 35 35 GLU N N 15 122.104 0.0 . 1 . . 40 . . 39 GLU N . 25684 4 324 . 1 1 36 36 ALA H H 1 8.239 0.007 . 1 . . 19 . . 40 ALA H . 25684 4 325 . 1 1 36 36 ALA HA H 1 4.349 . . 1 . . 278 . . 40 ALA HA . 25684 4 326 . 1 1 36 36 ALA HB1 H 1 1.451 . . 1 . . 279 . . 40 ALA HB1 . 25684 4 327 . 1 1 36 36 ALA HB2 H 1 1.451 . . 1 . . 279 . . 40 ALA HB2 . 25684 4 328 . 1 1 36 36 ALA HB3 H 1 1.451 . . 1 . . 279 . . 40 ALA HB3 . 25684 4 329 . 1 1 36 36 ALA C C 13 177.535 0.002 . 1 . . 181 . . 40 ALA C . 25684 4 330 . 1 1 36 36 ALA CA C 13 52.133 0.002 . 1 . . 78 . . 40 ALA CA . 25684 4 331 . 1 1 36 36 ALA CB C 13 19.006 0.152 . 1 . . 58 . . 40 ALA CB . 25684 4 332 . 1 1 36 36 ALA N N 15 124.046 . . 1 . . 20 . . 40 ALA N . 25684 4 333 . 1 1 37 37 GLU H H 1 8.248 0.005 . 1 . . 43 . . 41 GLU H . 25684 4 334 . 1 1 37 37 GLU HA H 1 4.325 0.007 . 1 . . 280 . . 41 GLU HA . 25684 4 335 . 1 1 37 37 GLU HB2 H 1 2.104 0.005 . 2 . . 283 . . 41 GLU HB2 . 25684 4 336 . 1 1 37 37 GLU HB3 H 1 1.982 0.005 . 2 . . 284 . . 41 GLU HB3 . 25684 4 337 . 1 1 37 37 GLU HG2 H 1 2.347 0.004 . 2 . . 281 . . 41 GLU HG2 . 25684 4 338 . 1 1 37 37 GLU HG3 H 1 2.281 0.01 . 2 . . 282 . . 41 GLU HG3 . 25684 4 339 . 1 1 37 37 GLU C C 13 176.315 0.001 . 1 . . 184 . . 41 GLU C . 25684 4 340 . 1 1 37 37 GLU CA C 13 56.038 0.016 . 1 . . 91 . . 41 GLU CA . 25684 4 341 . 1 1 37 37 GLU CB C 13 30.289 0.017 . 1 . . 96 . . 41 GLU CB . 25684 4 342 . 1 1 37 37 GLU CG C 13 35.689 . . 1 . . 182 . . 41 GLU CG . 25684 4 343 . 1 1 37 37 GLU N N 15 119.561 0.0 . 1 . . 44 . . 41 GLU N . 25684 4 344 . 1 1 38 38 GLU H H 1 8.313 0.005 . 1 . . 41 . . 42 GLU H . 25684 4 345 . 1 1 38 38 GLU HA H 1 4.366 . . 1 . . 285 . . 42 GLU HA . 25684 4 346 . 1 1 38 38 GLU HB2 H 1 2.107 . . 2 . . 287 . . 42 GLU HB2 . 25684 4 347 . 1 1 38 38 GLU HB3 H 1 1.986 . . 2 . . 288 . . 42 GLU HB3 . 25684 4 348 . 1 1 38 38 GLU HG2 H 1 2.318 0.033 . 1 . . 286 . . 42 GLU HG2 . 25684 4 349 . 1 1 38 38 GLU C C 13 175.311 0.0 . 1 . . 183 . . 42 GLU C . 25684 4 350 . 1 1 38 38 GLU CA C 13 56.110 0.003 . 1 . . 90 . . 42 GLU CA . 25684 4 351 . 1 1 38 38 GLU CB C 13 30.088 0.008 . 1 . . 95 . . 42 GLU CB . 25684 4 352 . 1 1 38 38 GLU CG C 13 35.531 . . 1 . . 186 . . 42 GLU CG . 25684 4 353 . 1 1 38 38 GLU N N 15 122.451 0.0 . 1 . . 42 . . 42 GLU N . 25684 4 354 . 1 1 39 39 LYS H H 1 7.917 0.007 . 1 . . 31 . . 43 LYS H . 25684 4 355 . 1 1 39 39 LYS HA H 1 4.198 0.002 . 1 . . 299 . . 43 LYS HA . 25684 4 356 . 1 1 39 39 LYS HB2 H 1 1.860 0.001 . 2 . . 300 . . 43 LYS HB2 . 25684 4 357 . 1 1 39 39 LYS HB3 H 1 1.725 0.019 . 2 . . 303 . . 43 LYS HB3 . 25684 4 358 . 1 1 39 39 LYS HG2 H 1 1.414 0.001 . 2 . . 302 . . 43 LYS HG2 . 25684 4 359 . 1 1 39 39 LYS HG3 H 1 1.463 0.0 . 2 . . 305 . . 43 LYS HG3 . 25684 4 360 . 1 1 39 39 LYS HD2 H 1 1.574 0.002 . 1 . . 301 . . 43 LYS HD2 . 25684 4 361 . 1 1 39 39 LYS HE2 H 1 3.015 . . 1 . . 340 . . 43 LYS HE2 . 25684 4 362 . 1 1 39 39 LYS C C 13 181.185 . . 1 . . 185 . . 43 LYS C . 25684 4 363 . 1 1 39 39 LYS CA C 13 56.963 0.057 . 1 . . 85 . . 43 LYS CA . 25684 4 364 . 1 1 39 39 LYS CB C 13 33.307 0.093 . 1 . . 66 . . 43 LYS CB . 25684 4 365 . 1 1 39 39 LYS CG C 13 24.133 . . 1 . . 304 . . 43 LYS CG . 25684 4 366 . 1 1 39 39 LYS N N 15 127.711 . . 1 . . 32 . . 43 LYS N . 25684 4 stop_ save_