################################### # 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 28072 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Standard _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 $cSH2-ITIM_1 isotropic 28072 1 2 '3D HNCACB' 1 $cSH2-ITIM_1 isotropic 28072 1 3 'cSH2-ITIM-HNCOCACB (H[N[co[{CA|ca[C]}]]])' 1 $cSH2-ITIM_1 isotropic 28072 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 . . 28072 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 PRO CA C 13 63.267 . . 1 . . 400 . . 2 PRO CA . 28072 1 2 . 1 . 1 2 2 PRO CB C 13 32.336 . . 1 . . 401 . . 2 PRO CB . 28072 1 3 . 1 . 1 3 3 MET H H 1 8.524 0.002 . 1 . . 163 . . 3 MET H . 28072 1 4 . 1 . 1 3 3 MET CA C 13 55.429 0.006 . 1 . . 353 . . 3 MET CA . 28072 1 5 . 1 . 1 3 3 MET CB C 13 32.887 0.008 . 1 . . 354 . . 3 MET CB . 28072 1 6 . 1 . 1 3 3 MET N N 15 120.370 0.006 . 1 . . 164 . . 3 MET N . 28072 1 7 . 1 . 1 4 4 ALA H H 1 8.298 0.002 . 1 . . 115 . . 4 ALA H . 28072 1 8 . 1 . 1 4 4 ALA CA C 13 52.339 0.001 . 1 . . 352 . . 4 ALA CA . 28072 1 9 . 1 . 1 4 4 ALA CB C 13 19.410 0.001 . 1 . . 351 . . 4 ALA CB . 28072 1 10 . 1 . 1 4 4 ALA N N 15 125.400 0.008 . 1 . . 116 . . 4 ALA N . 28072 1 11 . 1 . 1 5 5 ASP H H 1 8.354 0.002 . 1 . . 53 . . 5 ASP H . 28072 1 12 . 1 . 1 5 5 ASP CA C 13 52.101 . . 1 . . 416 . . 5 ASP CA . 28072 1 13 . 1 . 1 5 5 ASP CB C 13 41.225 . . 1 . . 417 . . 5 ASP CB . 28072 1 14 . 1 . 1 5 5 ASP N N 15 121.417 0.003 . 1 . . 54 . . 5 ASP N . 28072 1 15 . 1 . 1 6 6 PRO CA C 13 63.998 . . 1 . . 402 . . 6 PRO CA . 28072 1 16 . 1 . 1 6 6 PRO CB C 13 31.561 . . 1 . . 403 . . 6 PRO CB . 28072 1 17 . 1 . 1 7 7 THR H H 1 7.541 0.002 . 1 . . 59 . . 7 THR H . 28072 1 18 . 1 . 1 7 7 THR CA C 13 62.480 0.004 . 1 . . 317 . . 7 THR CA . 28072 1 19 . 1 . 1 7 7 THR CB C 13 68.679 0.006 . 1 . . 316 . . 7 THR CB . 28072 1 20 . 1 . 1 7 7 THR N N 15 110.097 0.005 . 1 . . 60 . . 7 THR N . 28072 1 21 . 1 . 1 8 8 SER H H 1 7.945 0.002 . 1 . . 21 . . 8 SER H . 28072 1 22 . 1 . 1 8 8 SER CA C 13 58.532 0.008 . 1 . . 365 . . 8 SER CA . 28072 1 23 . 1 . 1 8 8 SER CB C 13 63.780 0.007 . 1 . . 366 . . 8 SER CB . 28072 1 24 . 1 . 1 8 8 SER N N 15 117.107 0.005 . 1 . . 22 . . 8 SER N . 28072 1 25 . 1 . 1 9 9 GLU H H 1 7.665 0.002 . 1 . . 75 . . 9 GLU H . 28072 1 26 . 1 . 1 9 9 GLU CA C 13 55.617 0.006 . 1 . . 364 . . 9 GLU CA . 28072 1 27 . 1 . 1 9 9 GLU CB C 13 28.094 0.006 . 1 . . 363 . . 9 GLU CB . 28072 1 28 . 1 . 1 9 9 GLU N N 15 122.006 0.006 . 1 . . 76 . . 9 GLU N . 28072 1 29 . 1 . 1 10 10 ARG H H 1 8.826 0.002 . 1 . . 199 . . 10 ARG H . 28072 1 30 . 1 . 1 10 10 ARG CA C 13 57.502 0.003 . 1 . . 361 . . 10 ARG CA . 28072 1 31 . 1 . 1 10 10 ARG CB C 13 29.717 0.006 . 1 . . 362 . . 10 ARG CB . 28072 1 32 . 1 . 1 10 10 ARG N N 15 120.206 0.017 . 1 . . 200 . . 10 ARG N . 28072 1 33 . 1 . 1 11 11 TRP H H 1 6.371 0.002 . 1 . . 209 . . 11 TRP H . 28072 1 34 . 1 . 1 11 11 TRP CA C 13 54.314 0.001 . 1 . . 360 . . 11 TRP CA . 28072 1 35 . 1 . 1 11 11 TRP CB C 13 29.515 0.029 . 1 . . 359 . . 11 TRP CB . 28072 1 36 . 1 . 1 11 11 TRP N N 15 109.584 0.007 . 1 . . 210 . . 11 TRP N . 28072 1 37 . 1 . 1 12 12 PHE H H 1 7.715 0.004 . 1 . . 159 . . 12 PHE H . 28072 1 38 . 1 . 1 12 12 PHE CA C 13 57.813 0.002 . 1 . . 357 . . 12 PHE CA . 28072 1 39 . 1 . 1 12 12 PHE CB C 13 39.422 0.004 . 1 . . 358 . . 12 PHE CB . 28072 1 40 . 1 . 1 12 12 PHE N N 15 123.618 0.012 . 1 . . 160 . . 12 PHE N . 28072 1 41 . 1 . 1 13 13 HIS H H 1 9.199 0.003 . 1 . . 69 . . 13 HIS H . 28072 1 42 . 1 . 1 13 13 HIS CA C 13 56.471 . . 1 . . 418 . . 13 HIS CA . 28072 1 43 . 1 . 1 13 13 HIS CB C 13 33.775 . . 1 . . 419 . . 13 HIS CB . 28072 1 44 . 1 . 1 13 13 HIS N N 15 126.284 0.01 . 1 . . 70 . . 13 HIS N . 28072 1 45 . 1 . 1 14 14 GLY CA C 13 47.744 . . 1 . . 404 . . 14 GLY CA . 28072 1 46 . 1 . 1 15 15 HIS H H 1 8.797 0.005 . 1 . . 77 . . 15 HIS H . 28072 1 47 . 1 . 1 15 15 HIS CA C 13 56.520 0.008 . 1 . . 295 . . 15 HIS CA . 28072 1 48 . 1 . 1 15 15 HIS CB C 13 28.124 0.013 . 1 . . 294 . . 15 HIS CB . 28072 1 49 . 1 . 1 15 15 HIS N N 15 126.845 0.015 . 1 . . 78 . . 15 HIS N . 28072 1 50 . 1 . 1 16 16 LEU H H 1 7.768 0.002 . 1 . . 47 . . 16 LEU H . 28072 1 51 . 1 . 1 16 16 LEU CA C 13 54.690 0.012 . 1 . . 293 . . 16 LEU CA . 28072 1 52 . 1 . 1 16 16 LEU CB C 13 45.048 0.0 . 1 . . 292 . . 16 LEU CB . 28072 1 53 . 1 . 1 16 16 LEU N N 15 129.361 0.006 . 1 . . 48 . . 16 LEU N . 28072 1 54 . 1 . 1 17 17 SER H H 1 8.895 0.002 . 1 . . 129 . . 17 SER H . 28072 1 55 . 1 . 1 17 17 SER CA C 13 57.566 0.011 . 1 . . 290 . . 17 SER CA . 28072 1 56 . 1 . 1 17 17 SER CB C 13 65.483 0.003 . 1 . . 291 . . 17 SER CB . 28072 1 57 . 1 . 1 17 17 SER N N 15 123.162 0.006 . 1 . . 130 . . 17 SER N . 28072 1 58 . 1 . 1 18 18 GLY H H 1 10.156 0.003 . 1 . . 161 . . 18 GLY H . 28072 1 59 . 1 . 1 18 18 GLY CA C 13 48.022 0.012 . 1 . . 289 . . 18 GLY CA . 28072 1 60 . 1 . 1 18 18 GLY N N 15 110.887 0.025 . 1 . . 162 . . 18 GLY N . 28072 1 61 . 1 . 1 19 19 LYS H H 1 8.471 0.003 . 1 . . 19 . . 19 LYS H . 28072 1 62 . 1 . 1 19 19 LYS CA C 13 58.699 0.008 . 1 . . 288 . . 19 LYS CA . 28072 1 63 . 1 . 1 19 19 LYS CB C 13 31.963 0.005 . 1 . . 287 . . 19 LYS CB . 28072 1 64 . 1 . 1 19 19 LYS N N 15 121.125 0.008 . 1 . . 20 . . 19 LYS N . 28072 1 65 . 1 . 1 20 20 GLU H H 1 7.823 0.002 . 1 . . 83 . . 20 GLU H . 28072 1 66 . 1 . 1 20 20 GLU CA C 13 59.193 0.001 . 1 . . 286 . . 20 GLU CA . 28072 1 67 . 1 . 1 20 20 GLU CB C 13 29.664 0.009 . 1 . . 285 . . 20 GLU CB . 28072 1 68 . 1 . 1 20 20 GLU N N 15 120.794 0.004 . 1 . . 84 . . 20 GLU N . 28072 1 69 . 1 . 1 21 21 ALA H H 1 8.823 0.002 . 1 . . 25 . . 21 ALA H . 28072 1 70 . 1 . 1 21 21 ALA CA C 13 55.233 0.004 . 1 . . 283 . . 21 ALA CA . 28072 1 71 . 1 . 1 21 21 ALA CB C 13 18.351 0.005 . 1 . . 284 . . 21 ALA CB . 28072 1 72 . 1 . 1 21 21 ALA N N 15 122.117 0.009 . 1 . . 26 . . 21 ALA N . 28072 1 73 . 1 . 1 22 22 GLU H H 1 8.470 0.002 . 1 . . 33 . . 22 GLU H . 28072 1 74 . 1 . 1 22 22 GLU CA C 13 60.355 0.012 . 1 . . 282 . . 22 GLU CA . 28072 1 75 . 1 . 1 22 22 GLU CB C 13 28.936 0.003 . 1 . . 281 . . 22 GLU CB . 28072 1 76 . 1 . 1 22 22 GLU N N 15 116.777 0.008 . 1 . . 34 . . 22 GLU N . 28072 1 77 . 1 . 1 23 23 LYS H H 1 7.812 0.002 . 1 . . 17 . . 23 LYS H . 28072 1 78 . 1 . 1 23 23 LYS CA C 13 60.039 0.021 . 1 . . 280 . . 23 LYS CA . 28072 1 79 . 1 . 1 23 23 LYS CB C 13 32.486 0.002 . 1 . . 279 . . 23 LYS CB . 28072 1 80 . 1 . 1 23 23 LYS N N 15 122.670 0.008 . 1 . . 18 . . 23 LYS N . 28072 1 81 . 1 . 1 24 24 LEU H H 1 8.002 0.001 . 1 . . 149 . . 24 LEU H . 28072 1 82 . 1 . 1 24 24 LEU CA C 13 58.265 0.001 . 1 . . 277 . . 24 LEU CA . 28072 1 83 . 1 . 1 24 24 LEU CB C 13 42.827 0.011 . 1 . . 278 . . 24 LEU CB . 28072 1 84 . 1 . 1 24 24 LEU N N 15 119.080 0.006 . 1 . . 150 . . 24 LEU N . 28072 1 85 . 1 . 1 25 25 LEU H H 1 8.416 0.002 . 1 . . 57 . . 25 LEU H . 28072 1 86 . 1 . 1 25 25 LEU CA C 13 57.949 0.028 . 1 . . 276 . . 25 LEU CA . 28072 1 87 . 1 . 1 25 25 LEU CB C 13 42.564 0.032 . 1 . . 275 . . 25 LEU CB . 28072 1 88 . 1 . 1 25 25 LEU N N 15 116.505 0.007 . 1 . . 58 . . 25 LEU N . 28072 1 89 . 1 . 1 26 26 THR H H 1 8.179 0.003 . 1 . . 133 . . 26 THR H . 28072 1 90 . 1 . 1 26 26 THR CA C 13 66.358 0.002 . 1 . . 274 . . 26 THR CA . 28072 1 91 . 1 . 1 26 26 THR CB C 13 68.817 0.005 . 1 . . 273 . . 26 THR CB . 28072 1 92 . 1 . 1 26 26 THR N N 15 115.387 0.005 . 1 . . 134 . . 26 THR N . 28072 1 93 . 1 . 1 27 27 GLU H H 1 8.293 0.001 . 1 . . 125 . . 27 GLU H . 28072 1 94 . 1 . 1 27 27 GLU CA C 13 59.064 0.01 . 1 . . 271 . . 27 GLU CA . 28072 1 95 . 1 . 1 27 27 GLU CB C 13 30.645 0.004 . 1 . . 272 . . 27 GLU CB . 28072 1 96 . 1 . 1 27 27 GLU N N 15 119.298 0.001 . 1 . . 126 . . 27 GLU N . 28072 1 97 . 1 . 1 28 28 LYS H H 1 8.334 0.003 . 1 . . 189 . . 28 LYS H . 28072 1 98 . 1 . 1 28 28 LYS CA C 13 55.534 0.002 . 1 . . 270 . . 28 LYS CA . 28072 1 99 . 1 . 1 28 28 LYS CB C 13 34.321 0.012 . 1 . . 269 . . 28 LYS CB . 28072 1 100 . 1 . 1 28 28 LYS N N 15 113.751 0.006 . 1 . . 190 . . 28 LYS N . 28072 1 101 . 1 . 1 29 29 GLY H H 1 7.119 0.003 . 1 . . 99 . . 29 GLY H . 28072 1 102 . 1 . 1 29 29 GLY CA C 13 43.918 0.006 . 1 . . 268 . . 29 GLY CA . 28072 1 103 . 1 . 1 29 29 GLY N N 15 106.725 0.003 . 1 . . 100 . . 29 GLY N . 28072 1 104 . 1 . 1 30 30 LYS H H 1 8.513 0.002 . 1 . . 105 . . 30 LYS H . 28072 1 105 . 1 . 1 30 30 LYS CA C 13 54.088 0.015 . 1 . . 267 . . 30 LYS CA . 28072 1 106 . 1 . 1 30 30 LYS CB C 13 35.728 0.001 . 1 . . 266 . . 30 LYS CB . 28072 1 107 . 1 . 1 30 30 LYS N N 15 115.818 0.003 . 1 . . 106 . . 30 LYS N . 28072 1 108 . 1 . 1 31 31 HIS H H 1 9.048 0.002 . 1 . . 35 . . 31 HIS H . 28072 1 109 . 1 . 1 31 31 HIS CA C 13 60.708 0.008 . 1 . . 265 . . 31 HIS CA . 28072 1 110 . 1 . 1 31 31 HIS CB C 13 30.747 0.009 . 1 . . 264 . . 31 HIS CB . 28072 1 111 . 1 . 1 31 31 HIS N N 15 121.072 0.008 . 1 . . 36 . . 31 HIS N . 28072 1 112 . 1 . 1 32 32 GLY H H 1 8.536 0.002 . 1 . . 67 . . 32 GLY H . 28072 1 113 . 1 . 1 32 32 GLY CA C 13 45.043 0.004 . 1 . . 263 . . 32 GLY CA . 28072 1 114 . 1 . 1 32 32 GLY N N 15 116.231 0.004 . 1 . . 68 . . 32 GLY N . 28072 1 115 . 1 . 1 33 33 SER H H 1 8.695 0.002 . 1 . . 131 . . 33 SER H . 28072 1 116 . 1 . 1 33 33 SER CA C 13 60.271 0.007 . 1 . . 261 . . 33 SER CA . 28072 1 117 . 1 . 1 33 33 SER CB C 13 63.400 0.018 . 1 . . 262 . . 33 SER CB . 28072 1 118 . 1 . 1 33 33 SER N N 15 120.587 0.002 . 1 . . 132 . . 33 SER N . 28072 1 119 . 1 . 1 34 34 PHE H H 1 7.601 0.003 . 1 . . 27 . . 34 PHE H . 28072 1 120 . 1 . 1 34 34 PHE CA C 13 55.083 0.005 . 1 . . 260 . . 34 PHE CA . 28072 1 121 . 1 . 1 34 34 PHE CB C 13 44.333 0.002 . 1 . . 259 . . 34 PHE CB . 28072 1 122 . 1 . 1 34 34 PHE N N 15 116.867 0.007 . 1 . . 28 . . 34 PHE N . 28072 1 123 . 1 . 1 35 35 LEU H H 1 9.078 0.002 . 1 . . 93 . . 35 LEU H . 28072 1 124 . 1 . 1 35 35 LEU CA C 13 54.147 0.002 . 1 . . 258 . . 35 LEU CA . 28072 1 125 . 1 . 1 35 35 LEU CB C 13 44.879 0.027 . 1 . . 257 . . 35 LEU CB . 28072 1 126 . 1 . 1 35 35 LEU N N 15 115.268 0.005 . 1 . . 94 . . 35 LEU N . 28072 1 127 . 1 . 1 36 36 VAL H H 1 9.369 0.003 . 1 . . 191 . . 36 VAL H . 28072 1 128 . 1 . 1 36 36 VAL CA C 13 60.513 0.005 . 1 . . 255 . . 36 VAL CA . 28072 1 129 . 1 . 1 36 36 VAL CB C 13 34.620 0.032 . 1 . . 256 . . 36 VAL CB . 28072 1 130 . 1 . 1 36 36 VAL N N 15 120.014 0.008 . 1 . . 192 . . 36 VAL N . 28072 1 131 . 1 . 1 37 37 ARG H H 1 9.496 0.002 . 1 . . 171 . . 37 ARG H . 28072 1 132 . 1 . 1 37 37 ARG CA C 13 53.028 0.004 . 1 . . 254 . . 37 ARG CA . 28072 1 133 . 1 . 1 37 37 ARG CB C 13 34.363 0.038 . 1 . . 253 . . 37 ARG CB . 28072 1 134 . 1 . 1 37 37 ARG N N 15 123.665 0.009 . 1 . . 172 . . 37 ARG N . 28072 1 135 . 1 . 1 38 38 GLU H H 1 8.737 0.003 . 1 . . 153 . . 38 GLU H . 28072 1 136 . 1 . 1 38 38 GLU CA C 13 57.300 0.002 . 1 . . 252 . . 38 GLU CA . 28072 1 137 . 1 . 1 38 38 GLU CB C 13 30.643 0.001 . 1 . . 251 . . 38 GLU CB . 28072 1 138 . 1 . 1 38 38 GLU N N 15 120.360 0.009 . 1 . . 154 . . 38 GLU N . 28072 1 139 . 1 . 1 39 39 SER H H 1 7.849 0.002 . 1 . . 121 . . 39 SER H . 28072 1 140 . 1 . 1 39 39 SER CA C 13 57.548 0.033 . 1 . . 249 . . 39 SER CA . 28072 1 141 . 1 . 1 39 39 SER CB C 13 63.278 0.0 . 1 . . 250 . . 39 SER CB . 28072 1 142 . 1 . 1 39 39 SER N N 15 115.492 0.008 . 1 . . 122 . . 39 SER N . 28072 1 143 . 1 . 1 40 40 GLN H H 1 10.152 0.003 . 1 . . 39 . . 40 GLN H . 28072 1 144 . 1 . 1 40 40 GLN CA C 13 57.422 0.036 . 1 . . 248 . . 40 GLN CA . 28072 1 145 . 1 . 1 40 40 GLN CB C 13 28.615 0.01 . 1 . . 247 . . 40 GLN CB . 28072 1 146 . 1 . 1 40 40 GLN N N 15 128.593 0.009 . 1 . . 40 . . 40 GLN N . 28072 1 147 . 1 . 1 41 41 SER H H 1 9.557 0.004 . 1 . . 9 . . 41 SER H . 28072 1 148 . 1 . 1 41 41 SER CA C 13 60.703 0.008 . 1 . . 399 . . 41 SER CA . 28072 1 149 . 1 . 1 41 41 SER CB C 13 63.759 0.004 . 1 . . 398 . . 41 SER CB . 28072 1 150 . 1 . 1 41 41 SER N N 15 117.462 0.007 . 1 . . 10 . . 41 SER N . 28072 1 151 . 1 . 1 42 42 HIS H H 1 8.316 0.003 . 1 . . 211 . . 42 HIS H . 28072 1 152 . 1 . 1 42 42 HIS CA C 13 53.182 . . 1 . . 420 . . 42 HIS CA . 28072 1 153 . 1 . 1 42 42 HIS CB C 13 28.918 . . 1 . . 421 . . 42 HIS CB . 28072 1 154 . 1 . 1 42 42 HIS N N 15 124.236 0.006 . 1 . . 212 . . 42 HIS N . 28072 1 155 . 1 . 1 43 43 PRO CA C 13 64.304 . . 1 . . 405 . . 43 PRO CA . 28072 1 156 . 1 . 1 43 43 PRO CB C 13 31.482 . . 1 . . 406 . . 43 PRO CB . 28072 1 157 . 1 . 1 44 44 GLY H H 1 8.921 0.003 . 1 . . 71 . . 44 GLY H . 28072 1 158 . 1 . 1 44 44 GLY CA C 13 45.251 0.001 . 1 . . 310 . . 44 GLY CA . 28072 1 159 . 1 . 1 44 44 GLY N N 15 116.207 0.016 . 1 . . 72 . . 44 GLY N . 28072 1 160 . 1 . 1 45 45 ASP H H 1 7.994 0.001 . 1 . . 214 . . 45 ASP H . 28072 1 161 . 1 . 1 45 45 ASP CA C 13 53.525 0.002 . 1 . . 309 . . 45 ASP CA . 28072 1 162 . 1 . 1 45 45 ASP CB C 13 42.089 0.009 . 1 . . 308 . . 45 ASP CB . 28072 1 163 . 1 . 1 45 45 ASP N N 15 119.064 0.005 . 1 . . 213 . . 45 ASP N . 28072 1 164 . 1 . 1 46 46 PHE H H 1 9.206 0.002 . 1 . . 203 . . 46 PHE H . 28072 1 165 . 1 . 1 46 46 PHE CA C 13 57.126 0.008 . 1 . . 306 . . 46 PHE CA . 28072 1 166 . 1 . 1 46 46 PHE CB C 13 43.773 0.002 . 1 . . 307 . . 46 PHE CB . 28072 1 167 . 1 . 1 46 46 PHE N N 15 117.889 0.015 . 1 . . 204 . . 46 PHE N . 28072 1 168 . 1 . 1 47 47 VAL H H 1 9.567 0.003 . 1 . . 169 . . 47 VAL H . 28072 1 169 . 1 . 1 47 47 VAL CA C 13 61.257 0.001 . 1 . . 305 . . 47 VAL CA . 28072 1 170 . 1 . 1 47 47 VAL CB C 13 37.184 0.039 . 1 . . 304 . . 47 VAL CB . 28072 1 171 . 1 . 1 47 47 VAL N N 15 118.167 0.005 . 1 . . 170 . . 47 VAL N . 28072 1 172 . 1 . 1 48 48 LEU H H 1 9.418 0.002 . 1 . . 79 . . 48 LEU H . 28072 1 173 . 1 . 1 48 48 LEU CA C 13 53.525 0.003 . 1 . . 302 . . 48 LEU CA . 28072 1 174 . 1 . 1 48 48 LEU CB C 13 44.548 0.022 . 1 . . 303 . . 48 LEU CB . 28072 1 175 . 1 . 1 48 48 LEU N N 15 129.431 0.007 . 1 . . 80 . . 48 LEU N . 28072 1 176 . 1 . 1 49 49 SER H H 1 9.144 0.002 . 1 . . 143 . . 49 SER H . 28072 1 177 . 1 . 1 49 49 SER CA C 13 59.096 0.01 . 1 . . 301 . . 49 SER CA . 28072 1 178 . 1 . 1 49 49 SER CB C 13 64.638 0.011 . 1 . . 300 . . 49 SER CB . 28072 1 179 . 1 . 1 49 49 SER N N 15 125.470 0.006 . 1 . . 144 . . 49 SER N . 28072 1 180 . 1 . 1 50 50 VAL H H 1 8.888 0.003 . 1 . . 49 . . 50 VAL H . 28072 1 181 . 1 . 1 50 50 VAL CA C 13 59.743 0.003 . 1 . . 299 . . 50 VAL CA . 28072 1 182 . 1 . 1 50 50 VAL CB C 13 35.997 0.009 . 1 . . 298 . . 50 VAL CB . 28072 1 183 . 1 . 1 50 50 VAL N N 15 122.799 0.015 . 1 . . 50 . . 50 VAL N . 28072 1 184 . 1 . 1 51 51 ARG H H 1 9.069 0.002 . 1 . . 29 . . 51 ARG H . 28072 1 185 . 1 . 1 51 51 ARG CA C 13 55.003 0.004 . 1 . . 297 . . 51 ARG CA . 28072 1 186 . 1 . 1 51 51 ARG CB C 13 31.943 0.008 . 1 . . 296 . . 51 ARG CB . 28072 1 187 . 1 . 1 51 51 ARG N N 15 128.697 0.006 . 1 . . 30 . . 51 ARG N . 28072 1 188 . 1 . 1 52 52 THR H H 1 8.969 0.004 . 1 . . 11 . . 52 THR H . 28072 1 189 . 1 . 1 52 52 THR CA C 13 61.014 . . 1 . . 423 . . 52 THR CA . 28072 1 190 . 1 . 1 52 52 THR CB C 13 70.583 . . 1 . . 422 . . 52 THR CB . 28072 1 191 . 1 . 1 52 52 THR N N 15 122.501 0.01 . 1 . . 12 . . 52 THR N . 28072 1 192 . 1 . 1 53 53 GLY CA C 13 45.010 . . 1 . . 424 . . 53 GLY CA . 28072 1 193 . 1 . 1 54 54 ASP H H 1 8.383 0.002 . 1 . . 101 . . 54 ASP H . 28072 1 194 . 1 . 1 54 54 ASP CA C 13 54.046 0.005 . 1 . . 246 . . 54 ASP CA . 28072 1 195 . 1 . 1 54 54 ASP CB C 13 42.383 0.01 . 1 . . 245 . . 54 ASP CB . 28072 1 196 . 1 . 1 54 54 ASP N N 15 120.683 0.003 . 1 . . 102 . . 54 ASP N . 28072 1 197 . 1 . 1 55 55 ASP H H 1 8.546 0.002 . 1 . . 91 . . 55 ASP H . 28072 1 198 . 1 . 1 55 55 ASP CA C 13 54.907 0.009 . 1 . . 243 . . 55 ASP CA . 28072 1 199 . 1 . 1 55 55 ASP CB C 13 41.065 0.005 . 1 . . 244 . . 55 ASP CB . 28072 1 200 . 1 . 1 55 55 ASP N N 15 120.722 0.003 . 1 . . 92 . . 55 ASP N . 28072 1 201 . 1 . 1 56 56 LYS H H 1 8.368 0.002 . 1 . . 177 . . 56 LYS H . 28072 1 202 . 1 . 1 56 56 LYS CA C 13 56.339 0.003 . 1 . . 242 . . 56 LYS CA . 28072 1 203 . 1 . 1 56 56 LYS CB C 13 32.689 0.001 . 1 . . 241 . . 56 LYS CB . 28072 1 204 . 1 . 1 56 56 LYS N N 15 120.322 0.004 . 1 . . 178 . . 56 LYS N . 28072 1 205 . 1 . 1 57 57 GLY H H 1 8.290 0.002 . 1 . . 3 . . 57 GLY H . 28072 1 206 . 1 . 1 57 57 GLY CA C 13 45.571 0.002 . 1 . . 387 . . 57 GLY CA . 28072 1 207 . 1 . 1 57 57 GLY N N 15 109.301 0.004 . 1 . . 4 . . 57 GLY N . 28072 1 208 . 1 . 1 58 58 GLU H H 1 8.482 0.002 . 1 . . 111 . . 58 GLU H . 28072 1 209 . 1 . 1 58 58 GLU CA C 13 56.954 0.005 . 1 . . 389 . . 58 GLU CA . 28072 1 210 . 1 . 1 58 58 GLU CB C 13 30.208 0.002 . 1 . . 388 . . 58 GLU CB . 28072 1 211 . 1 . 1 58 58 GLU N N 15 120.654 0.006 . 1 . . 112 . . 58 GLU N . 28072 1 212 . 1 . 1 59 59 SER H H 1 8.372 0.002 . 1 . . 113 . . 59 SER H . 28072 1 213 . 1 . 1 59 59 SER CA C 13 58.382 . . 1 . . 426 . . 59 SER CA . 28072 1 214 . 1 . 1 59 59 SER CB C 13 63.886 . . 1 . . 425 . . 59 SER CB . 28072 1 215 . 1 . 1 59 59 SER N N 15 115.568 0.006 . 1 . . 114 . . 59 SER N . 28072 1 216 . 1 . 1 60 60 ASN CA C 13 53.762 . . 1 . . 407 . . 60 ASN CA . 28072 1 217 . 1 . 1 60 60 ASN CB C 13 38.759 . . 1 . . 408 . . 60 ASN CB . 28072 1 218 . 1 . 1 61 61 ASP H H 1 8.269 0.002 . 1 . . 135 . . 61 ASP H . 28072 1 219 . 1 . 1 61 61 ASP CA C 13 54.493 0.0 . 1 . . 315 . . 61 ASP CA . 28072 1 220 . 1 . 1 61 61 ASP CB C 13 41.022 0.001 . 1 . . 314 . . 61 ASP CB . 28072 1 221 . 1 . 1 61 61 ASP N N 15 119.235 0.009 . 1 . . 136 . . 61 ASP N . 28072 1 222 . 1 . 1 62 62 GLY H H 1 8.267 0.002 . 1 . . 87 . . 62 GLY H . 28072 1 223 . 1 . 1 62 62 GLY CA C 13 45.659 0.004 . 1 . . 313 . . 62 GLY CA . 28072 1 224 . 1 . 1 62 62 GLY N N 15 108.545 0.003 . 1 . . 88 . . 62 GLY N . 28072 1 225 . 1 . 1 63 63 LYS H H 1 8.032 0.002 . 1 . . 185 . . 63 LYS H . 28072 1 226 . 1 . 1 63 63 LYS CA C 13 56.019 0.001 . 1 . . 311 . . 63 LYS CA . 28072 1 227 . 1 . 1 63 63 LYS CB C 13 33.313 0.001 . 1 . . 312 . . 63 LYS CB . 28072 1 228 . 1 . 1 63 63 LYS N N 15 120.532 0.006 . 1 . . 186 . . 63 LYS N . 28072 1 229 . 1 . 1 64 64 SER H H 1 8.305 0.002 . 1 . . 15 . . 64 SER H . 28072 1 230 . 1 . 1 64 64 SER CA C 13 58.289 0.001 . 1 . . 328 . . 64 SER CA . 28072 1 231 . 1 . 1 64 64 SER CB C 13 64.390 0.001 . 1 . . 329 . . 64 SER CB . 28072 1 232 . 1 . 1 64 64 SER N N 15 117.308 0.004 . 1 . . 16 . . 64 SER N . 28072 1 233 . 1 . 1 65 65 LYS H H 1 8.702 0.002 . 1 . . 137 . . 65 LYS H . 28072 1 234 . 1 . 1 65 65 LYS CA C 13 55.875 0.014 . 1 . . 327 . . 65 LYS CA . 28072 1 235 . 1 . 1 65 65 LYS CB C 13 34.717 0.001 . 1 . . 326 . . 65 LYS CB . 28072 1 236 . 1 . 1 65 65 LYS N N 15 123.084 0.006 . 1 . . 138 . . 65 LYS N . 28072 1 237 . 1 . 1 66 66 VAL H H 1 8.266 0.002 . 1 . . 151 . . 66 VAL H . 28072 1 238 . 1 . 1 66 66 VAL CA C 13 60.693 0.011 . 1 . . 325 . . 66 VAL CA . 28072 1 239 . 1 . 1 66 66 VAL CB C 13 34.491 0.026 . 1 . . 324 . . 66 VAL CB . 28072 1 240 . 1 . 1 66 66 VAL N N 15 122.406 0.003 . 1 . . 152 . . 66 VAL N . 28072 1 241 . 1 . 1 67 67 THR H H 1 8.779 0.003 . 1 . . 193 . . 67 THR H . 28072 1 242 . 1 . 1 67 67 THR CA C 13 61.594 0.008 . 1 . . 322 . . 67 THR CA . 28072 1 243 . 1 . 1 67 67 THR CB C 13 70.303 0.005 . 1 . . 323 . . 67 THR CB . 28072 1 244 . 1 . 1 67 67 THR N N 15 124.705 0.007 . 1 . . 194 . . 67 THR N . 28072 1 245 . 1 . 1 68 68 HIS H H 1 8.891 0.002 . 1 . . 173 . . 68 HIS H . 28072 1 246 . 1 . 1 68 68 HIS CA C 13 54.482 0.007 . 1 . . 321 . . 68 HIS CA . 28072 1 247 . 1 . 1 68 68 HIS CB C 13 32.872 0.006 . 1 . . 320 . . 68 HIS CB . 28072 1 248 . 1 . 1 68 68 HIS N N 15 126.418 0.006 . 1 . . 174 . . 68 HIS N . 28072 1 249 . 1 . 1 69 69 VAL H H 1 9.526 0.002 . 1 . . 175 . . 69 VAL H . 28072 1 250 . 1 . 1 69 69 VAL CA C 13 61.225 0.006 . 1 . . 319 . . 69 VAL CA . 28072 1 251 . 1 . 1 69 69 VAL CB C 13 34.656 0.027 . 1 . . 318 . . 69 VAL CB . 28072 1 252 . 1 . 1 69 69 VAL N N 15 124.922 0.007 . 1 . . 176 . . 69 VAL N . 28072 1 253 . 1 . 1 70 70 MET H H 1 9.078 0.002 . 1 . . 23 . . 70 MET H . 28072 1 254 . 1 . 1 70 70 MET CA C 13 56.042 0.011 . 1 . . 332 . . 70 MET CA . 28072 1 255 . 1 . 1 70 70 MET CB C 13 32.191 0.036 . 1 . . 333 . . 70 MET CB . 28072 1 256 . 1 . 1 70 70 MET N N 15 127.548 0.022 . 1 . . 24 . . 70 MET N . 28072 1 257 . 1 . 1 71 71 ILE H H 1 9.262 0.003 . 1 . . 195 . . 71 ILE H . 28072 1 258 . 1 . 1 71 71 ILE CA C 13 59.754 0.009 . 1 . . 330 . . 71 ILE CA . 28072 1 259 . 1 . 1 71 71 ILE CB C 13 39.916 0.01 . 1 . . 331 . . 71 ILE CB . 28072 1 260 . 1 . 1 71 71 ILE N N 15 126.232 0.015 . 1 . . 196 . . 71 ILE N . 28072 1 261 . 1 . 1 72 72 ARG H H 1 8.727 0.002 . 1 . . 37 . . 72 ARG H . 28072 1 262 . 1 . 1 72 72 ARG CA C 13 55.713 0.009 . 1 . . 373 . . 72 ARG CA . 28072 1 263 . 1 . 1 72 72 ARG CB C 13 31.399 0.01 . 1 . . 374 . . 72 ARG CB . 28072 1 264 . 1 . 1 72 72 ARG N N 15 127.013 0.011 . 1 . . 38 . . 72 ARG N . 28072 1 265 . 1 . 1 73 73 CYS H H 1 8.812 0.002 . 1 . . 197 . . 73 CYS H . 28072 1 266 . 1 . 1 73 73 CYS CA C 13 57.182 0.007 . 1 . . 372 . . 73 CYS CA . 28072 1 267 . 1 . 1 73 73 CYS CB C 13 28.034 0.003 . 1 . . 371 . . 73 CYS CB . 28072 1 268 . 1 . 1 73 73 CYS N N 15 124.871 0.008 . 1 . . 198 . . 73 CYS N . 28072 1 269 . 1 . 1 74 74 GLN H H 1 8.650 0.002 . 1 . . 183 . . 74 GLN H . 28072 1 270 . 1 . 1 74 74 GLN CA C 13 54.980 0.005 . 1 . . 370 . . 74 GLN CA . 28072 1 271 . 1 . 1 74 74 GLN CB C 13 31.473 0.002 . 1 . . 369 . . 74 GLN CB . 28072 1 272 . 1 . 1 74 74 GLN N N 15 127.491 0.005 . 1 . . 184 . . 74 GLN N . 28072 1 273 . 1 . 1 75 75 GLU H H 1 9.332 0.003 . 1 . . 127 . . 75 GLU H . 28072 1 274 . 1 . 1 75 75 GLU CA C 13 57.387 0.01 . 1 . . 368 . . 75 GLU CA . 28072 1 275 . 1 . 1 75 75 GLU CB C 13 27.548 0.004 . 1 . . 367 . . 75 GLU CB . 28072 1 276 . 1 . 1 75 75 GLU N N 15 125.045 0.011 . 1 . . 128 . . 75 GLU N . 28072 1 277 . 1 . 1 76 76 LEU H H 1 8.362 0.002 . 1 . . 73 . . 76 LEU H . 28072 1 278 . 1 . 1 76 76 LEU CA C 13 56.636 0.013 . 1 . . 376 . . 76 LEU CA . 28072 1 279 . 1 . 1 76 76 LEU CB C 13 39.410 0.009 . 1 . . 375 . . 76 LEU CB . 28072 1 280 . 1 . 1 76 76 LEU N N 15 109.182 0.007 . 1 . . 74 . . 76 LEU N . 28072 1 281 . 1 . 1 77 77 LYS H H 1 7.551 0.003 . 1 . . 89 . . 77 LYS H . 28072 1 282 . 1 . 1 77 77 LYS CA C 13 53.978 0.004 . 1 . . 378 . . 77 LYS CA . 28072 1 283 . 1 . 1 77 77 LYS CB C 13 36.271 0.008 . 1 . . 377 . . 77 LYS CB . 28072 1 284 . 1 . 1 77 77 LYS N N 15 117.972 0.008 . 1 . . 90 . . 77 LYS N . 28072 1 285 . 1 . 1 78 78 TYR H H 1 9.333 0.003 . 1 . . 97 . . 78 TYR H . 28072 1 286 . 1 . 1 78 78 TYR CA C 13 56.915 0.017 . 1 . . 379 . . 78 TYR CA . 28072 1 287 . 1 . 1 78 78 TYR CB C 13 42.176 0.019 . 1 . . 380 . . 78 TYR CB . 28072 1 288 . 1 . 1 78 78 TYR N N 15 119.662 0.013 . 1 . . 98 . . 78 TYR N . 28072 1 289 . 1 . 1 79 79 ASP H H 1 9.140 0.002 . 1 . . 103 . . 79 ASP H . 28072 1 290 . 1 . 1 79 79 ASP CA C 13 54.271 . . 1 . . 427 . . 79 ASP CA . 28072 1 291 . 1 . 1 79 79 ASP CB C 13 45.268 . . 1 . . 428 . . 79 ASP CB . 28072 1 292 . 1 . 1 79 79 ASP N N 15 119.476 0.007 . 1 . . 104 . . 79 ASP N . 28072 1 293 . 1 . 1 81 81 GLY CA C 13 45.272 . . 1 . . 409 . . 81 GLY CA . 28072 1 294 . 1 . 1 82 82 GLY H H 1 7.682 0.003 . 1 . . 13 . . 82 GLY H . 28072 1 295 . 1 . 1 82 82 GLY CA C 13 43.885 0.016 . 1 . . 240 . . 82 GLY CA . 28072 1 296 . 1 . 1 82 82 GLY N N 15 107.358 0.005 . 1 . . 14 . . 82 GLY N . 28072 1 297 . 1 . 1 83 83 GLY H H 1 8.383 0.003 . 1 . . 7 . . 83 GLY H . 28072 1 298 . 1 . 1 83 83 GLY CA C 13 45.168 0.008 . 1 . . 239 . . 83 GLY CA . 28072 1 299 . 1 . 1 83 83 GLY N N 15 108.068 0.007 . 1 . . 8 . . 83 GLY N . 28072 1 300 . 1 . 1 84 84 GLU H H 1 8.037 0.003 . 1 . . 157 . . 84 GLU H . 28072 1 301 . 1 . 1 84 84 GLU CA C 13 56.342 0.007 . 1 . . 237 . . 84 GLU CA . 28072 1 302 . 1 . 1 84 84 GLU CB C 13 30.351 0.003 . 1 . . 238 . . 84 GLU CB . 28072 1 303 . 1 . 1 84 84 GLU N N 15 120.987 0.008 . 1 . . 158 . . 84 GLU N . 28072 1 304 . 1 . 1 85 85 ARG H H 1 7.925 0.002 . 1 . . 147 . . 85 ARG H . 28072 1 305 . 1 . 1 85 85 ARG CA C 13 54.389 0.002 . 1 . . 236 . . 85 ARG CA . 28072 1 306 . 1 . 1 85 85 ARG CB C 13 32.859 0.011 . 1 . . 235 . . 85 ARG CB . 28072 1 307 . 1 . 1 85 85 ARG N N 15 119.475 0.004 . 1 . . 148 . . 85 ARG N . 28072 1 308 . 1 . 1 86 86 PHE H H 1 9.420 0.002 . 1 . . 85 . . 86 PHE H . 28072 1 309 . 1 . 1 86 86 PHE CA C 13 57.690 0.006 . 1 . . 234 . . 86 PHE CA . 28072 1 310 . 1 . 1 86 86 PHE CB C 13 43.880 0.01 . 1 . . 233 . . 86 PHE CB . 28072 1 311 . 1 . 1 86 86 PHE N N 15 119.777 0.014 . 1 . . 86 . . 86 PHE N . 28072 1 312 . 1 . 1 87 87 ASP H H 1 10.027 0.003 . 1 . . 119 . . 87 ASP H . 28072 1 313 . 1 . 1 87 87 ASP CA C 13 56.019 0.0 . 1 . . 231 . . 87 ASP CA . 28072 1 314 . 1 . 1 87 87 ASP CB C 13 41.817 0.007 . 1 . . 232 . . 87 ASP CB . 28072 1 315 . 1 . 1 87 87 ASP N N 15 120.604 0.009 . 1 . . 120 . . 87 ASP N . 28072 1 316 . 1 . 1 88 88 SER H H 1 7.594 0.002 . 1 . . 63 . . 88 SER H . 28072 1 317 . 1 . 1 88 88 SER CA C 13 56.501 0.007 . 1 . . 229 . . 88 SER CA . 28072 1 318 . 1 . 1 88 88 SER CB C 13 66.591 0.006 . 1 . . 230 . . 88 SER CB . 28072 1 319 . 1 . 1 88 88 SER N N 15 108.826 0.005 . 1 . . 64 . . 88 SER N . 28072 1 320 . 1 . 1 89 89 LEU H H 1 8.717 0.002 . 1 . . 43 . . 89 LEU H . 28072 1 321 . 1 . 1 89 89 LEU CA C 13 57.192 0.012 . 1 . . 227 . . 89 LEU CA . 28072 1 322 . 1 . 1 89 89 LEU CB C 13 42.237 0.001 . 1 . . 228 . . 89 LEU CB . 28072 1 323 . 1 . 1 89 89 LEU N N 15 122.287 0.008 . 1 . . 44 . . 89 LEU N . 28072 1 324 . 1 . 1 90 90 THR H H 1 7.965 0.002 . 1 . . 179 . . 90 THR H . 28072 1 325 . 1 . 1 90 90 THR CA C 13 67.230 0.0 . 1 . . 226 . . 90 THR CA . 28072 1 326 . 1 . 1 90 90 THR CB C 13 68.758 0.007 . 1 . . 225 . . 90 THR CB . 28072 1 327 . 1 . 1 90 90 THR N N 15 114.751 0.011 . 1 . . 180 . . 90 THR N . 28072 1 328 . 1 . 1 91 91 ASP H H 1 7.768 0.003 . 1 . . 5 . . 91 ASP H . 28072 1 329 . 1 . 1 91 91 ASP CA C 13 57.275 0.002 . 1 . . 223 . . 91 ASP CA . 28072 1 330 . 1 . 1 91 91 ASP CB C 13 40.594 0.01 . 1 . . 224 . . 91 ASP CB . 28072 1 331 . 1 . 1 91 91 ASP N N 15 121.108 0.004 . 1 . . 6 . . 91 ASP N . 28072 1 332 . 1 . 1 92 92 LEU H H 1 7.013 0.002 . 1 . . 31 . . 92 LEU H . 28072 1 333 . 1 . 1 92 92 LEU CA C 13 59.015 0.003 . 1 . . 221 . . 92 LEU CA . 28072 1 334 . 1 . 1 92 92 LEU CB C 13 42.142 0.013 . 1 . . 222 . . 92 LEU CB . 28072 1 335 . 1 . 1 92 92 LEU N N 15 122.530 0.003 . 1 . . 32 . . 92 LEU N . 28072 1 336 . 1 . 1 93 93 VAL H H 1 8.055 0.003 . 1 . . 187 . . 93 VAL H . 28072 1 337 . 1 . 1 93 93 VAL CA C 13 67.410 0.005 . 1 . . 219 . . 93 VAL CA . 28072 1 338 . 1 . 1 93 93 VAL CB C 13 31.452 0.002 . 1 . . 220 . . 93 VAL CB . 28072 1 339 . 1 . 1 93 93 VAL N N 15 120.298 0.023 . 1 . . 188 . . 93 VAL N . 28072 1 340 . 1 . 1 94 94 GLU H H 1 8.249 0.002 . 1 . . 95 . . 94 GLU H . 28072 1 341 . 1 . 1 94 94 GLU CA C 13 59.112 0.001 . 1 . . 218 . . 94 GLU CA . 28072 1 342 . 1 . 1 94 94 GLU CB C 13 29.117 0.0 . 1 . . 217 . . 94 GLU CB . 28072 1 343 . 1 . 1 94 94 GLU N N 15 116.000 0.011 . 1 . . 96 . . 94 GLU N . 28072 1 344 . 1 . 1 95 95 HIS H H 1 7.721 0.002 . 1 . . 167 . . 95 HIS H . 28072 1 345 . 1 . 1 95 95 HIS CA C 13 60.859 0.012 . 1 . . 215 . . 95 HIS CA . 28072 1 346 . 1 . 1 95 95 HIS CB C 13 31.335 0.006 . 1 . . 216 . . 95 HIS CB . 28072 1 347 . 1 . 1 95 95 HIS N N 15 118.886 0.016 . 1 . . 168 . . 95 HIS N . 28072 1 348 . 1 . 1 96 96 TYR H H 1 7.846 0.003 . 1 . . 1 . . 96 TYR H . 28072 1 349 . 1 . 1 96 96 TYR CA C 13 61.505 0.005 . 1 . . 336 . . 96 TYR CA . 28072 1 350 . 1 . 1 96 96 TYR CB C 13 36.966 0.004 . 1 . . 337 . . 96 TYR CB . 28072 1 351 . 1 . 1 96 96 TYR N N 15 117.541 0.009 . 1 . . 2 . . 96 TYR N . 28072 1 352 . 1 . 1 97 97 LYS H H 1 7.972 0.002 . 1 . . 205 . . 97 LYS H . 28072 1 353 . 1 . 1 97 97 LYS CA C 13 59.174 0.001 . 1 . . 334 . . 97 LYS CA . 28072 1 354 . 1 . 1 97 97 LYS CB C 13 33.174 0.011 . 1 . . 335 . . 97 LYS CB . 28072 1 355 . 1 . 1 97 97 LYS N N 15 120.913 0.011 . 1 . . 206 . . 97 LYS N . 28072 1 356 . 1 . 1 98 98 LYS H H 1 6.893 0.002 . 1 . . 41 . . 98 LYS H . 28072 1 357 . 1 . 1 98 98 LYS CA C 13 57.099 0.012 . 1 . . 355 . . 98 LYS CA . 28072 1 358 . 1 . 1 98 98 LYS CB C 13 34.004 0.005 . 1 . . 356 . . 98 LYS CB . 28072 1 359 . 1 . 1 98 98 LYS N N 15 116.698 0.01 . 1 . . 42 . . 98 LYS N . 28072 1 360 . 1 . 1 99 99 ASN H H 1 7.571 0.002 . 1 . . 55 . . 99 ASN H . 28072 1 361 . 1 . 1 99 99 ASN CA C 13 50.490 . . 1 . . 429 . . 99 ASN CA . 28072 1 362 . 1 . 1 99 99 ASN CB C 13 40.264 . . 1 . . 430 . . 99 ASN CB . 28072 1 363 . 1 . 1 99 99 ASN N N 15 118.106 0.018 . 1 . . 56 . . 99 ASN N . 28072 1 364 . 1 . 1 100 100 PRO CA C 13 63.416 . . 1 . . 410 . . 100 PRO CA . 28072 1 365 . 1 . 1 100 100 PRO CB C 13 32.421 . . 1 . . 411 . . 100 PRO CB . 28072 1 366 . 1 . 1 101 101 MET H H 1 8.742 0.002 . 1 . . 81 . . 101 MET H . 28072 1 367 . 1 . 1 101 101 MET CA C 13 55.714 0.004 . 1 . . 350 . . 101 MET CA . 28072 1 368 . 1 . 1 101 101 MET CB C 13 35.986 0.001 . 1 . . 349 . . 101 MET CB . 28072 1 369 . 1 . 1 101 101 MET N N 15 121.507 0.01 . 1 . . 82 . . 101 MET N . 28072 1 370 . 1 . 1 102 102 VAL H H 1 8.521 0.003 . 1 . . 65 . . 102 VAL H . 28072 1 371 . 1 . 1 102 102 VAL CA C 13 61.236 0.004 . 1 . . 348 . . 102 VAL CA . 28072 1 372 . 1 . 1 102 102 VAL CB C 13 34.198 0.021 . 1 . . 347 . . 102 VAL CB . 28072 1 373 . 1 . 1 102 102 VAL N N 15 121.419 0.012 . 1 . . 66 . . 102 VAL N . 28072 1 374 . 1 . 1 103 103 GLU H H 1 8.659 0.002 . 1 . . 109 . . 103 GLU H . 28072 1 375 . 1 . 1 103 103 GLU CA C 13 56.273 0.022 . 1 . . 346 . . 103 GLU CA . 28072 1 376 . 1 . 1 103 103 GLU CB C 13 31.362 0.006 . 1 . . 345 . . 103 GLU CB . 28072 1 377 . 1 . 1 103 103 GLU N N 15 125.175 0.02 . 1 . . 110 . . 103 GLU N . 28072 1 378 . 1 . 1 104 104 THR H H 1 8.621 0.004 . 1 . . 51 . . 104 THR H . 28072 1 379 . 1 . 1 104 104 THR CA C 13 65.853 . . 1 . . 432 . . 104 THR CA . 28072 1 380 . 1 . 1 104 104 THR CB C 13 68.776 . . 1 . . 431 . . 104 THR CB . 28072 1 381 . 1 . 1 104 104 THR N N 15 116.462 0.018 . 1 . . 52 . . 104 THR N . 28072 1 382 . 1 . 1 105 105 LEU CA C 13 55.896 . . 1 . . 412 . . 105 LEU CA . 28072 1 383 . 1 . 1 105 105 LEU CB C 13 41.260 . . 1 . . 413 . . 105 LEU CB . 28072 1 384 . 1 . 1 106 106 GLY H H 1 8.140 0.003 . 1 . . 117 . . 106 GLY H . 28072 1 385 . 1 . 1 106 106 GLY CA C 13 45.276 0.005 . 1 . . 344 . . 106 GLY CA . 28072 1 386 . 1 . 1 106 106 GLY N N 15 106.918 0.008 . 1 . . 118 . . 106 GLY N . 28072 1 387 . 1 . 1 107 107 THR H H 1 7.691 0.003 . 1 . . 61 . . 107 THR H . 28072 1 388 . 1 . 1 107 107 THR CA C 13 63.015 0.022 . 1 . . 343 . . 107 THR CA . 28072 1 389 . 1 . 1 107 107 THR CB C 13 69.251 0.009 . 1 . . 342 . . 107 THR CB . 28072 1 390 . 1 . 1 107 107 THR N N 15 116.410 0.046 . 1 . . 62 . . 107 THR N . 28072 1 391 . 1 . 1 108 108 VAL H H 1 8.557 0.003 . 1 . . 207 . . 108 VAL H . 28072 1 392 . 1 . 1 108 108 VAL CA C 13 62.367 0.012 . 1 . . 340 . . 108 VAL CA . 28072 1 393 . 1 . 1 108 108 VAL CB C 13 32.633 0.084 . 1 . . 341 . . 108 VAL CB . 28072 1 394 . 1 . 1 108 108 VAL N N 15 125.819 0.019 . 1 . . 208 . . 108 VAL N . 28072 1 395 . 1 . 1 109 109 LEU H H 1 9.041 0.004 . 1 . . 123 . . 109 LEU H . 28072 1 396 . 1 . 1 109 109 LEU CA C 13 53.242 0.01 . 1 . . 338 . . 109 LEU CA . 28072 1 397 . 1 . 1 109 109 LEU CB C 13 41.032 0.035 . 1 . . 339 . . 109 LEU CB . 28072 1 398 . 1 . 1 109 109 LEU N N 15 130.078 0.011 . 1 . . 124 . . 109 LEU N . 28072 1 399 . 1 . 1 110 110 GLN H H 1 7.593 0.002 . 1 . . 45 . . 110 GLN H . 28072 1 400 . 1 . 1 110 110 GLN CA C 13 55.258 0.002 . 1 . . 392 . . 110 GLN CA . 28072 1 401 . 1 . 1 110 110 GLN CB C 13 30.436 0.004 . 1 . . 393 . . 110 GLN CB . 28072 1 402 . 1 . 1 110 110 GLN N N 15 122.077 0.003 . 1 . . 46 . . 110 GLN N . 28072 1 403 . 1 . 1 111 111 LEU H H 1 8.653 0.003 . 1 . . 181 . . 111 LEU H . 28072 1 404 . 1 . 1 111 111 LEU CA C 13 53.723 0.001 . 1 . . 391 . . 111 LEU CA . 28072 1 405 . 1 . 1 111 111 LEU CB C 13 39.958 0.002 . 1 . . 390 . . 111 LEU CB . 28072 1 406 . 1 . 1 111 111 LEU N N 15 124.164 0.011 . 1 . . 182 . . 111 LEU N . 28072 1 407 . 1 . 1 112 112 LYS H H 1 9.318 0.002 . 1 . . 139 . . 112 LYS H . 28072 1 408 . 1 . 1 112 112 LYS CA C 13 57.522 0.0 . 1 . . 396 . . 112 LYS CA . 28072 1 409 . 1 . 1 112 112 LYS CB C 13 33.439 0.006 . 1 . . 397 . . 112 LYS CB . 28072 1 410 . 1 . 1 112 112 LYS N N 15 122.998 0.011 . 1 . . 140 . . 112 LYS N . 28072 1 411 . 1 . 1 113 113 GLN H H 1 7.562 0.002 . 1 . . 165 . . 113 GLN H . 28072 1 412 . 1 . 1 113 113 GLN CA C 13 53.437 . . 1 . . 433 . . 113 GLN CA . 28072 1 413 . 1 . 1 113 113 GLN CB C 13 28.812 . . 1 . . 434 . . 113 GLN CB . 28072 1 414 . 1 . 1 113 113 GLN N N 15 114.791 0.01 . 1 . . 166 . . 113 GLN N . 28072 1 415 . 1 . 1 114 114 PRO CA C 13 61.536 . . 1 . . 414 . . 114 PRO CA . 28072 1 416 . 1 . 1 114 114 PRO CB C 13 32.896 . . 1 . . 415 . . 114 PRO CB . 28072 1 417 . 1 . 1 115 115 LEU H H 1 8.576 0.002 . 1 . . 145 . . 115 LEU H . 28072 1 418 . 1 . 1 115 115 LEU CA C 13 54.035 0.009 . 1 . . 386 . . 115 LEU CA . 28072 1 419 . 1 . 1 115 115 LEU CB C 13 41.691 0.008 . 1 . . 385 . . 115 LEU CB . 28072 1 420 . 1 . 1 115 115 LEU N N 15 125.675 0.01 . 1 . . 146 . . 115 LEU N . 28072 1 421 . 1 . 1 116 116 ASN H H 1 8.530 0.003 . 1 . . 155 . . 116 ASN H . 28072 1 422 . 1 . 1 116 116 ASN CA C 13 52.985 0.01 . 1 . . 383 . . 116 ASN CA . 28072 1 423 . 1 . 1 116 116 ASN CB C 13 39.691 0.003 . 1 . . 384 . . 116 ASN CB . 28072 1 424 . 1 . 1 116 116 ASN N N 15 125.089 0.012 . 1 . . 156 . . 116 ASN N . 28072 1 425 . 1 . 1 117 117 THR H H 1 8.534 0.002 . 1 . . 201 . . 117 THR H . 28072 1 426 . 1 . 1 117 117 THR CA C 13 61.543 0.003 . 1 . . 381 . . 117 THR CA . 28072 1 427 . 1 . 1 117 117 THR CB C 13 69.765 0.0 . 1 . . 382 . . 117 THR CB . 28072 1 428 . 1 . 1 117 117 THR N N 15 113.626 0.01 . 1 . . 202 . . 117 THR N . 28072 1 429 . 1 . 1 118 118 THR H H 1 8.247 0.002 . 1 . . 107 . . 118 THR H . 28072 1 430 . 1 . 1 118 118 THR CA C 13 61.804 0.027 . 1 . . 395 . . 118 THR CA . 28072 1 431 . 1 . 1 118 118 THR CB C 13 69.751 0.011 . 1 . . 394 . . 118 THR CB . 28072 1 432 . 1 . 1 118 118 THR N N 15 115.158 0.003 . 1 . . 108 . . 118 THR N . 28072 1 433 . 1 . 1 119 119 ARG H H 1 7.883 0.002 . 1 . . 141 . . 119 ARG H . 28072 1 434 . 1 . 1 119 119 ARG CA C 13 57.633 . . 1 . . 435 . . 119 ARG CA . 28072 1 435 . 1 . 1 119 119 ARG CB C 13 31.495 . . 1 . . 436 . . 119 ARG CB . 28072 1 436 . 1 . 1 119 119 ARG N N 15 128.205 0.006 . 1 . . 142 . . 119 ARG N . 28072 1 stop_ save_