################################### # 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 28073 _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 $nSH2-ITSM_1 isotropic 28073 1 2 '3D HNCACB' 1 $nSH2-ITSM_1 isotropic 28073 1 3 'HNCOCACB (H[N[co[{CA|ca[C]}]]])' 1 $nSH2-ITSM_1 isotropic 28073 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 . . 28073 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 3 3 MET CA C 13 55.744 . . 1 . . 372 . . 3 MET CA . 28073 1 2 . 1 . 1 3 3 MET CB C 13 32.701 . . 1 . . 373 . . 3 MET CB . 28073 1 3 . 1 . 1 4 4 ALA H H 1 8.228 0.004 . 1 . . 27 . . 4 ALA H . 28073 1 4 . 1 . 1 4 4 ALA CA C 13 53.094 0.003 . 1 . . 328 . . 4 ALA CA . 28073 1 5 . 1 . 1 4 4 ALA CB C 13 19.128 0.001 . 1 . . 327 . . 4 ALA CB . 28073 1 6 . 1 . 1 4 4 ALA N N 15 124.885 0.01 . 1 . . 28 . . 4 ALA N . 28073 1 7 . 1 . 1 5 5 SER H H 1 7.975 0.004 . 1 . . 61 . . 5 SER H . 28073 1 8 . 1 . 1 5 5 SER CA C 13 58.577 0.021 . 1 . . 330 . . 5 SER CA . 28073 1 9 . 1 . 1 5 5 SER CB C 13 63.656 0.008 . 1 . . 329 . . 5 SER CB . 28073 1 10 . 1 . 1 5 5 SER N N 15 113.654 0.011 . 1 . . 62 . . 5 SER N . 28073 1 11 . 1 . 1 6 6 ARG H H 1 8.133 0.004 . 1 . . 179 . . 6 ARG H . 28073 1 12 . 1 . 1 6 6 ARG CA C 13 55.178 0.014 . 1 . . 331 . . 6 ARG CA . 28073 1 13 . 1 . 1 6 6 ARG CB C 13 29.438 0.001 . 1 . . 332 . . 6 ARG CB . 28073 1 14 . 1 . 1 6 6 ARG N N 15 121.102 0.011 . 1 . . 180 . . 6 ARG N . 28073 1 15 . 1 . 1 7 7 ARG H H 1 8.353 0.003 . 1 . . 157 . . 7 ARG H . 28073 1 16 . 1 . 1 7 7 ARG CA C 13 58.105 0.001 . 1 . . 333 . . 7 ARG CA . 28073 1 17 . 1 . 1 7 7 ARG CB C 13 29.843 0.044 . 1 . . 334 . . 7 ARG CB . 28073 1 18 . 1 . 1 7 7 ARG N N 15 119.449 0.005 . 1 . . 158 . . 7 ARG N . 28073 1 19 . 1 . 1 8 8 TRP H H 1 6.383 0.002 . 1 . . 19 . . 8 TRP H . 28073 1 20 . 1 . 1 8 8 TRP CA C 13 54.562 0.002 . 1 . . 324 . . 8 TRP CA . 28073 1 21 . 1 . 1 8 8 TRP CB C 13 29.485 0.015 . 1 . . 323 . . 8 TRP CB . 28073 1 22 . 1 . 1 8 8 TRP N N 15 110.898 0.01 . 1 . . 20 . . 8 TRP N . 28073 1 23 . 1 . 1 9 9 PHE H H 1 7.643 0.003 . 1 . . 135 . . 9 PHE H . 28073 1 24 . 1 . 1 9 9 PHE CA C 13 57.018 0.004 . 1 . . 326 . . 9 PHE CA . 28073 1 25 . 1 . 1 9 9 PHE CB C 13 39.366 0.021 . 1 . . 325 . . 9 PHE CB . 28073 1 26 . 1 . 1 9 9 PHE N N 15 123.936 0.006 . 1 . . 136 . . 9 PHE N . 28073 1 27 . 1 . 1 10 10 HIS H H 1 8.752 0.002 . 1 . . 121 . . 10 HIS H . 28073 1 28 . 1 . 1 10 10 HIS CA C 13 52.437 . . 1 . . 385 . . 10 HIS CA . 28073 1 29 . 1 . 1 10 10 HIS CB C 13 33.406 . . 1 . . 386 . . 10 HIS CB . 28073 1 30 . 1 . 1 10 10 HIS N N 15 129.967 0.003 . 1 . . 122 . . 10 HIS N . 28073 1 31 . 1 . 1 11 11 PRO CA C 13 63.525 . . 1 . . 374 . . 11 PRO CA . 28073 1 32 . 1 . 1 11 11 PRO CB C 13 32.813 . . 1 . . 375 . . 11 PRO CB . 28073 1 33 . 1 . 1 12 12 ASN H H 1 8.467 0.003 . 1 . . 73 . . 12 ASN H . 28073 1 34 . 1 . 1 12 12 ASN CA C 13 53.973 0.002 . 1 . . 225 . . 12 ASN CA . 28073 1 35 . 1 . 1 12 12 ASN CB C 13 39.259 0.002 . 1 . . 224 . . 12 ASN CB . 28073 1 36 . 1 . 1 12 12 ASN N N 15 113.330 0.009 . 1 . . 74 . . 12 ASN N . 28073 1 37 . 1 . 1 13 13 ILE H H 1 6.813 0.002 . 1 . . 89 . . 13 ILE H . 28073 1 38 . 1 . 1 13 13 ILE CA C 13 60.570 0.002 . 1 . . 223 . . 13 ILE CA . 28073 1 39 . 1 . 1 13 13 ILE CB C 13 41.620 0.001 . 1 . . 222 . . 13 ILE CB . 28073 1 40 . 1 . 1 13 13 ILE N N 15 113.050 0.009 . 1 . . 90 . . 13 ILE N . 28073 1 41 . 1 . 1 14 14 THR H H 1 8.376 0.003 . 1 . . 45 . . 14 THR H . 28073 1 42 . 1 . 1 14 14 THR CA C 13 60.211 0.024 . 1 . . 221 . . 14 THR CA . 28073 1 43 . 1 . 1 14 14 THR CB C 13 71.739 0.012 . 1 . . 220 . . 14 THR CB . 28073 1 44 . 1 . 1 14 14 THR N N 15 112.907 0.009 . 1 . . 46 . . 14 THR N . 28073 1 45 . 1 . 1 15 15 GLY H H 1 9.418 0.003 . 1 . . 57 . . 15 GLY H . 28073 1 46 . 1 . 1 15 15 GLY CA C 13 48.002 0.0 . 1 . . 219 . . 15 GLY CA . 28073 1 47 . 1 . 1 15 15 GLY N N 15 109.516 0.009 . 1 . . 58 . . 15 GLY N . 28073 1 48 . 1 . 1 16 16 VAL H H 1 7.959 0.003 . 1 . . 101 . . 16 VAL H . 28073 1 49 . 1 . 1 16 16 VAL CA C 13 65.884 0.008 . 1 . . 211 . . 16 VAL CA . 28073 1 50 . 1 . 1 16 16 VAL CB C 13 31.933 0.005 . 1 . . 212 . . 16 VAL CB . 28073 1 51 . 1 . 1 16 16 VAL N N 15 120.582 0.012 . 1 . . 102 . . 16 VAL N . 28073 1 52 . 1 . 1 17 17 GLU H H 1 7.479 0.002 . 1 . . 93 . . 17 GLU H . 28073 1 53 . 1 . 1 17 17 GLU CA C 13 59.282 0.004 . 1 . . 210 . . 17 GLU CA . 28073 1 54 . 1 . 1 17 17 GLU CB C 13 29.958 0.001 . 1 . . 209 . . 17 GLU CB . 28073 1 55 . 1 . 1 17 17 GLU N N 15 120.880 0.007 . 1 . . 94 . . 17 GLU N . 28073 1 56 . 1 . 1 18 18 ALA H H 1 8.660 0.002 . 1 . . 143 . . 18 ALA H . 28073 1 57 . 1 . 1 18 18 ALA CA C 13 55.167 0.006 . 1 . . 208 . . 18 ALA CA . 28073 1 58 . 1 . 1 18 18 ALA CB C 13 18.931 0.0 . 1 . . 207 . . 18 ALA CB . 28073 1 59 . 1 . 1 18 18 ALA N N 15 121.294 0.004 . 1 . . 144 . . 18 ALA N . 28073 1 60 . 1 . 1 19 19 GLU H H 1 8.301 0.003 . 1 . . 149 . . 19 GLU H . 28073 1 61 . 1 . 1 19 19 GLU CA C 13 60.301 0.003 . 1 . . 205 . . 19 GLU CA . 28073 1 62 . 1 . 1 19 19 GLU CB C 13 28.625 0.012 . 1 . . 206 . . 19 GLU CB . 28073 1 63 . 1 . 1 19 19 GLU N N 15 116.881 0.002 . 1 . . 150 . . 19 GLU N . 28073 1 64 . 1 . 1 20 20 ASN H H 1 7.704 0.004 . 1 . . 5 . . 20 ASN H . 28073 1 65 . 1 . 1 20 20 ASN CA C 13 57.035 0.0 . 1 . . 218 . . 20 ASN CA . 28073 1 66 . 1 . 1 20 20 ASN CB C 13 38.798 0.003 . 1 . . 217 . . 20 ASN CB . 28073 1 67 . 1 . 1 20 20 ASN N N 15 116.057 0.005 . 1 . . 6 . . 20 ASN N . 28073 1 68 . 1 . 1 21 21 LEU H H 1 8.481 0.002 . 1 . . 115 . . 21 LEU H . 28073 1 69 . 1 . 1 21 21 LEU CA C 13 58.451 0.001 . 1 . . 215 . . 21 LEU CA . 28073 1 70 . 1 . 1 21 21 LEU CB C 13 42.728 0.004 . 1 . . 216 . . 21 LEU CB . 28073 1 71 . 1 . 1 21 21 LEU N N 15 121.866 0.007 . 1 . . 116 . . 21 LEU N . 28073 1 72 . 1 . 1 22 22 LEU H H 1 8.327 0.002 . 1 . . 105 . . 22 LEU H . 28073 1 73 . 1 . 1 22 22 LEU CA C 13 58.199 0.024 . 1 . . 213 . . 22 LEU CA . 28073 1 74 . 1 . 1 22 22 LEU CB C 13 42.509 0.021 . 1 . . 214 . . 22 LEU CB . 28073 1 75 . 1 . 1 22 22 LEU N N 15 118.600 0.002 . 1 . . 106 . . 22 LEU N . 28073 1 76 . 1 . 1 23 23 LEU H H 1 8.380 0.002 . 1 . . 11 . . 23 LEU H . 28073 1 77 . 1 . 1 23 23 LEU CA C 13 56.943 0.01 . 1 . . 226 . . 23 LEU CA . 28073 1 78 . 1 . 1 23 23 LEU CB C 13 41.289 0.003 . 1 . . 227 . . 23 LEU CB . 28073 1 79 . 1 . 1 23 23 LEU N N 15 117.072 0.006 . 1 . . 12 . . 23 LEU N . 28073 1 80 . 1 . 1 24 24 THR H H 1 7.739 0.003 . 1 . . 85 . . 24 THR H . 28073 1 81 . 1 . 1 24 24 THR CA C 13 63.730 0.002 . 1 . . 229 . . 24 THR CA . 28073 1 82 . 1 . 1 24 24 THR CB C 13 70.562 0.002 . 1 . . 228 . . 24 THR CB . 28073 1 83 . 1 . 1 24 24 THR N N 15 109.170 0.008 . 1 . . 86 . . 24 THR N . 28073 1 84 . 1 . 1 25 25 ARG H H 1 8.460 0.002 . 1 . . 173 . . 25 ARG H . 28073 1 85 . 1 . 1 25 25 ARG CA C 13 55.725 0.0 . 1 . . 230 . . 25 ARG CA . 28073 1 86 . 1 . 1 25 25 ARG CB C 13 31.946 0.006 . 1 . . 231 . . 25 ARG CB . 28073 1 87 . 1 . 1 25 25 ARG N N 15 118.967 0.008 . 1 . . 174 . . 25 ARG N . 28073 1 88 . 1 . 1 26 26 GLY H H 1 7.061 0.003 . 1 . . 21 . . 26 GLY H . 28073 1 89 . 1 . 1 26 26 GLY CA C 13 43.853 0.001 . 1 . . 232 . . 26 GLY CA . 28073 1 90 . 1 . 1 26 26 GLY N N 15 106.790 0.007 . 1 . . 22 . . 26 GLY N . 28073 1 91 . 1 . 1 27 27 VAL H H 1 8.956 0.003 . 1 . . 25 . . 27 VAL H . 28073 1 92 . 1 . 1 27 27 VAL CA C 13 59.126 0.01 . 1 . . 233 . . 27 VAL CA . 28073 1 93 . 1 . 1 27 27 VAL CB C 13 35.984 0.01 . 1 . . 234 . . 27 VAL CB . 28073 1 94 . 1 . 1 27 27 VAL N N 15 109.949 0.004 . 1 . . 26 . . 27 VAL N . 28073 1 95 . 1 . 1 28 28 ASP H H 1 8.951 0.003 . 1 . . 103 . . 28 ASP H . 28073 1 96 . 1 . 1 28 28 ASP CA C 13 57.866 0.003 . 1 . . 235 . . 28 ASP CA . 28073 1 97 . 1 . 1 28 28 ASP CB C 13 39.035 0.0 . 1 . . 236 . . 28 ASP CB . 28073 1 98 . 1 . 1 28 28 ASP N N 15 123.049 0.008 . 1 . . 104 . . 28 ASP N . 28073 1 99 . 1 . 1 29 29 GLY H H 1 8.721 0.003 . 1 . . 67 . . 29 GLY H . 28073 1 100 . 1 . 1 29 29 GLY CA C 13 44.886 0.01 . 1 . . 341 . . 29 GLY CA . 28073 1 101 . 1 . 1 29 29 GLY N N 15 113.140 0.008 . 1 . . 68 . . 29 GLY N . 28073 1 102 . 1 . 1 30 30 SER H H 1 9.390 0.003 . 1 . . 165 . . 30 SER H . 28073 1 103 . 1 . 1 30 30 SER CA C 13 60.753 0.006 . 1 . . 343 . . 30 SER CA . 28073 1 104 . 1 . 1 30 30 SER CB C 13 64.385 0.007 . 1 . . 342 . . 30 SER CB . 28073 1 105 . 1 . 1 30 30 SER N N 15 122.559 0.004 . 1 . . 166 . . 30 SER N . 28073 1 106 . 1 . 1 31 31 PHE H H 1 8.145 0.002 . 1 . . 65 . . 31 PHE H . 28073 1 107 . 1 . 1 31 31 PHE CA C 13 55.793 0.001 . 1 . . 340 . . 31 PHE CA . 28073 1 108 . 1 . 1 31 31 PHE CB C 13 44.246 0.007 . 1 . . 339 . . 31 PHE CB . 28073 1 109 . 1 . 1 31 31 PHE N N 15 116.768 0.005 . 1 . . 66 . . 31 PHE N . 28073 1 110 . 1 . 1 32 32 LEU H H 1 9.259 0.003 . 1 . . 43 . . 32 LEU H . 28073 1 111 . 1 . 1 32 32 LEU CA C 13 54.198 0.004 . 1 . . 336 . . 32 LEU CA . 28073 1 112 . 1 . 1 32 32 LEU CB C 13 45.009 0.002 . 1 . . 335 . . 32 LEU CB . 28073 1 113 . 1 . 1 32 32 LEU N N 15 115.182 0.014 . 1 . . 44 . . 32 LEU N . 28073 1 114 . 1 . 1 33 33 ALA H H 1 9.605 0.003 . 1 . . 107 . . 33 ALA H . 28073 1 115 . 1 . 1 33 33 ALA CA C 13 50.016 0.002 . 1 . . 338 . . 33 ALA CA . 28073 1 116 . 1 . 1 33 33 ALA CB C 13 23.482 0.002 . 1 . . 337 . . 33 ALA CB . 28073 1 117 . 1 . 1 33 33 ALA N N 15 121.910 0.009 . 1 . . 108 . . 33 ALA N . 28073 1 118 . 1 . 1 34 34 ARG H H 1 9.229 0.003 . 1 . . 169 . . 34 ARG H . 28073 1 119 . 1 . 1 34 34 ARG CA C 13 54.100 . . 1 . . 387 . . 34 ARG CA . 28073 1 120 . 1 . 1 34 34 ARG CB C 13 30.126 . . 1 . . 388 . . 34 ARG CB . 28073 1 121 . 1 . 1 34 34 ARG N N 15 117.316 0.005 . 1 . . 170 . . 34 ARG N . 28073 1 122 . 1 . 1 35 35 PRO CA C 13 63.291 . . 1 . . 376 . . 35 PRO CA . 28073 1 123 . 1 . 1 35 35 PRO CB C 13 32.510 . . 1 . . 377 . . 35 PRO CB . 28073 1 124 . 1 . 1 36 36 SER H H 1 7.740 0.001 . 1 . . 196 . . 36 SER H . 28073 1 125 . 1 . 1 36 36 SER CA C 13 57.757 0.003 . 1 . . 368 . . 36 SER CA . 28073 1 126 . 1 . 1 36 36 SER CB C 13 64.050 0.025 . 1 . . 369 . . 36 SER CB . 28073 1 127 . 1 . 1 36 36 SER N N 15 116.777 0.008 . 1 . . 195 . . 36 SER N . 28073 1 128 . 1 . 1 37 37 LYS H H 1 9.943 0.003 . 1 . . 95 . . 37 LYS H . 28073 1 129 . 1 . 1 37 37 LYS CA C 13 57.178 0.048 . 1 . . 365 . . 37 LYS CA . 28073 1 130 . 1 . 1 37 37 LYS CB C 13 33.167 0.016 . 1 . . 364 . . 37 LYS CB . 28073 1 131 . 1 . 1 37 37 LYS N N 15 131.303 0.006 . 1 . . 96 . . 37 LYS N . 28073 1 132 . 1 . 1 38 38 SER H H 1 9.205 0.003 . 1 . . 75 . . 38 SER H . 28073 1 133 . 1 . 1 38 38 SER CA C 13 61.035 0.0 . 1 . . 354 . . 38 SER CA . 28073 1 134 . 1 . 1 38 38 SER CB C 13 62.966 0.002 . 1 . . 355 . . 38 SER CB . 28073 1 135 . 1 . 1 38 38 SER N N 15 116.482 0.011 . 1 . . 76 . . 38 SER N . 28073 1 136 . 1 . 1 39 39 ASN H H 1 8.146 0.003 . 1 . . 133 . . 39 ASN H . 28073 1 137 . 1 . 1 39 39 ASN CA C 13 50.570 . . 1 . . 389 . . 39 ASN CA . 28073 1 138 . 1 . 1 39 39 ASN CB C 13 39.426 . . 1 . . 390 . . 39 ASN CB . 28073 1 139 . 1 . 1 39 39 ASN N N 15 121.586 0.005 . 1 . . 134 . . 39 ASN N . 28073 1 140 . 1 . 1 40 40 PRO CA C 13 64.495 . . 1 . . 378 . . 40 PRO CA . 28073 1 141 . 1 . 1 40 40 PRO CB C 13 31.550 . . 1 . . 379 . . 40 PRO CB . 28073 1 142 . 1 . 1 41 41 GLY H H 1 8.929 0.003 . 1 . . 33 . . 41 GLY H . 28073 1 143 . 1 . 1 41 41 GLY CA C 13 45.440 0.005 . 1 . . 370 . . 41 GLY CA . 28073 1 144 . 1 . 1 41 41 GLY N N 15 115.778 0.006 . 1 . . 34 . . 41 GLY N . 28073 1 145 . 1 . 1 42 42 ASP H H 1 8.082 0.003 . 1 . . 145 . . 42 ASP H . 28073 1 146 . 1 . 1 42 42 ASP CA C 13 53.764 0.0 . 1 . . 366 . . 42 ASP CA . 28073 1 147 . 1 . 1 42 42 ASP CB C 13 41.869 0.008 . 1 . . 367 . . 42 ASP CB . 28073 1 148 . 1 . 1 42 42 ASP N N 15 119.509 0.005 . 1 . . 146 . . 42 ASP N . 28073 1 149 . 1 . 1 43 43 PHE H H 1 8.885 0.002 . 1 . . 69 . . 43 PHE H . 28073 1 150 . 1 . 1 43 43 PHE CA C 13 57.086 0.004 . 1 . . 344 . . 43 PHE CA . 28073 1 151 . 1 . 1 43 43 PHE CB C 13 44.484 0.003 . 1 . . 345 . . 43 PHE CB . 28073 1 152 . 1 . 1 43 43 PHE N N 15 117.011 0.006 . 1 . . 70 . . 43 PHE N . 28073 1 153 . 1 . 1 44 44 THR H H 1 9.663 0.003 . 1 . . 167 . . 44 THR H . 28073 1 154 . 1 . 1 44 44 THR CA C 13 62.132 0.006 . 1 . . 347 . . 44 THR CA . 28073 1 155 . 1 . 1 44 44 THR CB C 13 72.953 0.005 . 1 . . 346 . . 44 THR CB . 28073 1 156 . 1 . 1 44 44 THR N N 15 117.448 0.012 . 1 . . 168 . . 44 THR N . 28073 1 157 . 1 . 1 45 45 LEU H H 1 9.556 0.003 . 1 . . 99 . . 45 LEU H . 28073 1 158 . 1 . 1 45 45 LEU CA C 13 53.447 0.002 . 1 . . 349 . . 45 LEU CA . 28073 1 159 . 1 . 1 45 45 LEU CB C 13 45.184 0.006 . 1 . . 348 . . 45 LEU CB . 28073 1 160 . 1 . 1 45 45 LEU N N 15 126.107 0.008 . 1 . . 100 . . 45 LEU N . 28073 1 161 . 1 . 1 46 46 SER H H 1 9.271 0.002 . 1 . . 97 . . 46 SER H . 28073 1 162 . 1 . 1 46 46 SER CA C 13 58.841 0.008 . 1 . . 351 . . 46 SER CA . 28073 1 163 . 1 . 1 46 46 SER CB C 13 65.080 0.004 . 1 . . 350 . . 46 SER CB . 28073 1 164 . 1 . 1 46 46 SER N N 15 122.049 0.006 . 1 . . 98 . . 46 SER N . 28073 1 165 . 1 . 1 47 47 VAL H H 1 9.049 0.002 . 1 . . 79 . . 47 VAL H . 28073 1 166 . 1 . 1 47 47 VAL CA C 13 60.013 0.002 . 1 . . 353 . . 47 VAL CA . 28073 1 167 . 1 . 1 47 47 VAL CB C 13 35.873 0.003 . 1 . . 352 . . 47 VAL CB . 28073 1 168 . 1 . 1 47 47 VAL N N 15 123.667 0.005 . 1 . . 80 . . 47 VAL N . 28073 1 169 . 1 . 1 48 48 ARG H H 1 9.244 0.003 . 1 . . 15 . . 48 ARG H . 28073 1 170 . 1 . 1 48 48 ARG CA C 13 54.739 0.002 . 1 . . 249 . . 48 ARG CA . 28073 1 171 . 1 . 1 48 48 ARG CB C 13 31.788 0.001 . 1 . . 250 . . 48 ARG CB . 28073 1 172 . 1 . 1 48 48 ARG N N 15 127.507 0.006 . 1 . . 16 . . 48 ARG N . 28073 1 173 . 1 . 1 49 49 ARG H H 1 9.453 0.003 . 1 . . 125 . . 49 ARG H . 28073 1 174 . 1 . 1 49 49 ARG CA C 13 55.402 0.01 . 1 . . 251 . . 49 ARG CA . 28073 1 175 . 1 . 1 49 49 ARG CB C 13 32.208 0.029 . 1 . . 252 . . 49 ARG CB . 28073 1 176 . 1 . 1 49 49 ARG N N 15 130.466 0.004 . 1 . . 126 . . 49 ARG N . 28073 1 177 . 1 . 1 50 50 ASN H H 1 9.309 0.003 . 1 . . 17 . . 50 ASN H . 28073 1 178 . 1 . 1 50 50 ASN CA C 13 54.451 0.007 . 1 . . 254 . . 50 ASN CA . 28073 1 179 . 1 . 1 50 50 ASN CB C 13 37.515 0.0 . 1 . . 253 . . 50 ASN CB . 28073 1 180 . 1 . 1 50 50 ASN N N 15 124.892 0.007 . 1 . . 18 . . 50 ASN N . 28073 1 181 . 1 . 1 51 51 GLY H H 1 9.536 0.003 . 1 . . 29 . . 51 GLY H . 28073 1 182 . 1 . 1 51 51 GLY CA C 13 46.042 0.003 . 1 . . 255 . . 51 GLY CA . 28073 1 183 . 1 . 1 51 51 GLY N N 15 106.094 0.009 . 1 . . 30 . . 51 GLY N . 28073 1 184 . 1 . 1 52 52 ALA H H 1 7.999 0.003 . 1 . . 109 . . 52 ALA H . 28073 1 185 . 1 . 1 52 52 ALA CA C 13 50.468 0.005 . 1 . . 256 . . 52 ALA CA . 28073 1 186 . 1 . 1 52 52 ALA CB C 13 22.134 0.001 . 1 . . 257 . . 52 ALA CB . 28073 1 187 . 1 . 1 52 52 ALA N N 15 123.060 0.009 . 1 . . 110 . . 52 ALA N . 28073 1 188 . 1 . 1 53 53 VAL H H 1 8.637 0.002 . 1 . . 137 . . 53 VAL H . 28073 1 189 . 1 . 1 53 53 VAL CA C 13 61.213 0.001 . 1 . . 259 . . 53 VAL CA . 28073 1 190 . 1 . 1 53 53 VAL CB C 13 34.064 0.003 . 1 . . 258 . . 53 VAL CB . 28073 1 191 . 1 . 1 53 53 VAL N N 15 119.694 0.006 . 1 . . 138 . . 53 VAL N . 28073 1 192 . 1 . 1 54 54 THR H H 1 8.934 0.002 . 1 . . 55 . . 54 THR H . 28073 1 193 . 1 . 1 54 54 THR CA C 13 60.475 0.012 . 1 . . 260 . . 54 THR CA . 28073 1 194 . 1 . 1 54 54 THR CB C 13 71.090 0.001 . 1 . . 261 . . 54 THR CB . 28073 1 195 . 1 . 1 54 54 THR N N 15 124.453 0.002 . 1 . . 56 . . 54 THR N . 28073 1 196 . 1 . 1 55 55 HIS H H 1 8.444 0.003 . 1 . . 39 . . 55 HIS H . 28073 1 197 . 1 . 1 55 55 HIS CA C 13 54.627 0.007 . 1 . . 262 . . 55 HIS CA . 28073 1 198 . 1 . 1 55 55 HIS CB C 13 33.514 0.002 . 1 . . 263 . . 55 HIS CB . 28073 1 199 . 1 . 1 55 55 HIS N N 15 124.600 0.011 . 1 . . 40 . . 55 HIS N . 28073 1 200 . 1 . 1 56 56 ILE H H 1 9.773 0.002 . 1 . . 87 . . 56 ILE H . 28073 1 201 . 1 . 1 56 56 ILE CA C 13 60.319 0.001 . 1 . . 264 . . 56 ILE CA . 28073 1 202 . 1 . 1 56 56 ILE CB C 13 42.357 0.028 . 1 . . 265 . . 56 ILE CB . 28073 1 203 . 1 . 1 56 56 ILE N N 15 123.558 0.004 . 1 . . 88 . . 56 ILE N . 28073 1 204 . 1 . 1 57 57 LYS H H 1 9.027 0.002 . 1 . . 151 . . 57 LYS H . 28073 1 205 . 1 . 1 57 57 LYS CA C 13 58.581 0.001 . 1 . . 267 . . 57 LYS CA . 28073 1 206 . 1 . 1 57 57 LYS CB C 13 34.073 0.006 . 1 . . 266 . . 57 LYS CB . 28073 1 207 . 1 . 1 57 57 LYS N N 15 127.749 0.005 . 1 . . 152 . . 57 LYS N . 28073 1 208 . 1 . 1 58 58 ILE H H 1 8.808 0.002 . 1 . . 153 . . 58 ILE H . 28073 1 209 . 1 . 1 58 58 ILE CA C 13 60.226 0.016 . 1 . . 268 . . 58 ILE CA . 28073 1 210 . 1 . 1 58 58 ILE CB C 13 39.842 0.002 . 1 . . 269 . . 58 ILE CB . 28073 1 211 . 1 . 1 58 58 ILE N N 15 121.268 0.009 . 1 . . 154 . . 58 ILE N . 28073 1 212 . 1 . 1 59 59 GLN H H 1 8.707 0.003 . 1 . . 31 . . 59 GLN H . 28073 1 213 . 1 . 1 59 59 GLN CA C 13 55.753 0.003 . 1 . . 271 . . 59 GLN CA . 28073 1 214 . 1 . 1 59 59 GLN CB C 13 28.082 0.003 . 1 . . 270 . . 59 GLN CB . 28073 1 215 . 1 . 1 59 59 GLN N N 15 129.105 0.012 . 1 . . 32 . . 59 GLN N . 28073 1 216 . 1 . 1 60 60 ASN H H 1 8.296 0.003 . 1 . . 129 . . 60 ASN H . 28073 1 217 . 1 . 1 60 60 ASN CA C 13 50.492 0.001 . 1 . . 272 . . 60 ASN CA . 28073 1 218 . 1 . 1 60 60 ASN CB C 13 40.019 0.002 . 1 . . 273 . . 60 ASN CB . 28073 1 219 . 1 . 1 60 60 ASN N N 15 122.917 0.006 . 1 . . 130 . . 60 ASN N . 28073 1 220 . 1 . 1 61 61 THR H H 1 8.026 0.002 . 1 . . 139 . . 61 THR H . 28073 1 221 . 1 . 1 61 61 THR CA C 13 61.505 0.003 . 1 . . 275 . . 61 THR CA . 28073 1 222 . 1 . 1 61 61 THR CB C 13 70.026 0.001 . 1 . . 274 . . 61 THR CB . 28073 1 223 . 1 . 1 61 61 THR N N 15 113.623 0.006 . 1 . . 140 . . 61 THR N . 28073 1 224 . 1 . 1 62 62 GLY H H 1 7.993 0.003 . 1 . . 35 . . 62 GLY H . 28073 1 225 . 1 . 1 62 62 GLY CA C 13 45.671 0.005 . 1 . . 276 . . 62 GLY CA . 28073 1 226 . 1 . 1 62 62 GLY N N 15 112.979 0.008 . 1 . . 36 . . 62 GLY N . 28073 1 227 . 1 . 1 63 63 ASP H H 1 7.410 0.003 . 1 . . 193 . . 63 ASP H . 28073 1 228 . 1 . 1 63 63 ASP CA C 13 54.662 0.004 . 1 . . 278 . . 63 ASP CA . 28073 1 229 . 1 . 1 63 63 ASP CB C 13 42.963 0.002 . 1 . . 277 . . 63 ASP CB . 28073 1 230 . 1 . 1 63 63 ASP N N 15 117.129 0.002 . 1 . . 194 . . 63 ASP N . 28073 1 231 . 1 . 1 64 64 TYR H H 1 7.167 0.003 . 1 . . 83 . . 64 TYR H . 28073 1 232 . 1 . 1 64 64 TYR CA C 13 56.787 0.006 . 1 . . 279 . . 64 TYR CA . 28073 1 233 . 1 . 1 64 64 TYR CB C 13 39.950 0.001 . 1 . . 280 . . 64 TYR CB . 28073 1 234 . 1 . 1 64 64 TYR N N 15 114.013 0.007 . 1 . . 84 . . 64 TYR N . 28073 1 235 . 1 . 1 65 65 TYR H H 1 9.659 0.002 . 1 . . 141 . . 65 TYR H . 28073 1 236 . 1 . 1 65 65 TYR CA C 13 56.011 0.001 . 1 . . 281 . . 65 TYR CA . 28073 1 237 . 1 . 1 65 65 TYR CB C 13 41.998 0.006 . 1 . . 282 . . 65 TYR CB . 28073 1 238 . 1 . 1 65 65 TYR N N 15 117.835 0.007 . 1 . . 142 . . 65 TYR N . 28073 1 239 . 1 . 1 66 66 ASP H H 1 9.088 0.003 . 1 . . 187 . . 66 ASP H . 28073 1 240 . 1 . 1 66 66 ASP CA C 13 53.777 0.007 . 1 . . 283 . . 66 ASP CA . 28073 1 241 . 1 . 1 66 66 ASP CB C 13 42.491 0.006 . 1 . . 284 . . 66 ASP CB . 28073 1 242 . 1 . 1 66 66 ASP N N 15 121.053 0.006 . 1 . . 188 . . 66 ASP N . 28073 1 243 . 1 . 1 67 67 LEU H H 1 7.408 0.002 . 1 . . 131 . . 67 LEU H . 28073 1 244 . 1 . 1 67 67 LEU CA C 13 53.061 0.005 . 1 . . 286 . . 67 LEU CA . 28073 1 245 . 1 . 1 67 67 LEU CB C 13 40.500 0.0 . 1 . . 285 . . 67 LEU CB . 28073 1 246 . 1 . 1 67 67 LEU N N 15 118.192 0.005 . 1 . . 132 . . 67 LEU N . 28073 1 247 . 1 . 1 68 68 TYR H H 1 8.433 0.002 . 1 . . 23 . . 68 TYR H . 28073 1 248 . 1 . 1 68 68 TYR CA C 13 61.706 0.004 . 1 . . 287 . . 68 TYR CA . 28073 1 249 . 1 . 1 68 68 TYR CB C 13 34.451 0.006 . 1 . . 288 . . 68 TYR CB . 28073 1 250 . 1 . 1 68 68 TYR N N 15 115.904 0.008 . 1 . . 24 . . 68 TYR N . 28073 1 251 . 1 . 1 69 69 GLY H H 1 6.765 0.003 . 1 . . 51 . . 69 GLY H . 28073 1 252 . 1 . 1 69 69 GLY CA C 13 43.827 0.003 . 1 . . 289 . . 69 GLY CA . 28073 1 253 . 1 . 1 69 69 GLY N N 15 104.280 0.019 . 1 . . 52 . . 69 GLY N . 28073 1 254 . 1 . 1 70 70 GLY H H 1 7.995 0.003 . 1 . . 9 . . 70 GLY H . 28073 1 255 . 1 . 1 70 70 GLY CA C 13 44.447 0.003 . 1 . . 290 . . 70 GLY CA . 28073 1 256 . 1 . 1 70 70 GLY N N 15 107.052 0.005 . 1 . . 10 . . 70 GLY N . 28073 1 257 . 1 . 1 71 71 GLU H H 1 8.285 0.003 . 1 . . 47 . . 71 GLU H . 28073 1 258 . 1 . 1 71 71 GLU CA C 13 56.399 0.012 . 1 . . 292 . . 71 GLU CA . 28073 1 259 . 1 . 1 71 71 GLU CB C 13 30.095 0.005 . 1 . . 291 . . 71 GLU CB . 28073 1 260 . 1 . 1 71 71 GLU N N 15 122.174 0.006 . 1 . . 48 . . 71 GLU N . 28073 1 261 . 1 . 1 72 72 LYS H H 1 7.616 0.003 . 1 . . 37 . . 72 LYS H . 28073 1 262 . 1 . 1 72 72 LYS CA C 13 54.820 0.005 . 1 . . 293 . . 72 LYS CA . 28073 1 263 . 1 . 1 72 72 LYS CB C 13 35.289 0.004 . 1 . . 294 . . 72 LYS CB . 28073 1 264 . 1 . 1 72 72 LYS N N 15 118.668 0.007 . 1 . . 38 . . 72 LYS N . 28073 1 265 . 1 . 1 73 73 PHE H H 1 9.135 0.002 . 1 . . 111 . . 73 PHE H . 28073 1 266 . 1 . 1 73 73 PHE CA C 13 57.045 0.003 . 1 . . 296 . . 73 PHE CA . 28073 1 267 . 1 . 1 73 73 PHE CB C 13 44.502 0.006 . 1 . . 295 . . 73 PHE CB . 28073 1 268 . 1 . 1 73 73 PHE N N 15 117.671 0.007 . 1 . . 112 . . 73 PHE N . 28073 1 269 . 1 . 1 74 74 ALA H H 1 9.389 0.002 . 1 . . 119 . . 74 ALA H . 28073 1 270 . 1 . 1 74 74 ALA CA C 13 54.506 0.001 . 1 . . 298 . . 74 ALA CA . 28073 1 271 . 1 . 1 74 74 ALA CB C 13 19.928 0.001 . 1 . . 297 . . 74 ALA CB . 28073 1 272 . 1 . 1 74 74 ALA N N 15 122.911 0.002 . 1 . . 120 . . 74 ALA N . 28073 1 273 . 1 . 1 75 75 THR H H 1 7.188 0.002 . 1 . . 63 . . 75 THR H . 28073 1 274 . 1 . 1 75 75 THR CA C 13 58.895 0.01 . 1 . . 299 . . 75 THR CA . 28073 1 275 . 1 . 1 75 75 THR CB C 13 73.537 0.003 . 1 . . 300 . . 75 THR CB . 28073 1 276 . 1 . 1 75 75 THR N N 15 101.874 0.006 . 1 . . 64 . . 75 THR N . 28073 1 277 . 1 . 1 76 76 LEU H H 1 7.867 0.002 . 1 . . 175 . . 76 LEU H . 28073 1 278 . 1 . 1 76 76 LEU CA C 13 57.048 0.004 . 1 . . 302 . . 76 LEU CA . 28073 1 279 . 1 . 1 76 76 LEU CB C 13 41.221 0.005 . 1 . . 301 . . 76 LEU CB . 28073 1 280 . 1 . 1 76 76 LEU N N 15 122.405 0.004 . 1 . . 176 . . 76 LEU N . 28073 1 281 . 1 . 1 77 77 ALA H H 1 8.441 0.003 . 1 . . 189 . . 77 ALA H . 28073 1 282 . 1 . 1 77 77 ALA CA C 13 55.523 0.009 . 1 . . 303 . . 77 ALA CA . 28073 1 283 . 1 . 1 77 77 ALA CB C 13 18.142 0.002 . 1 . . 304 . . 77 ALA CB . 28073 1 284 . 1 . 1 77 77 ALA N N 15 118.817 0.005 . 1 . . 190 . . 77 ALA N . 28073 1 285 . 1 . 1 78 78 GLU H H 1 7.727 0.003 . 1 . . 49 . . 78 GLU H . 28073 1 286 . 1 . 1 78 78 GLU CA C 13 59.444 0.006 . 1 . . 305 . . 78 GLU CA . 28073 1 287 . 1 . 1 78 78 GLU CB C 13 31.063 0.005 . 1 . . 306 . . 78 GLU CB . 28073 1 288 . 1 . 1 78 78 GLU N N 15 116.802 0.004 . 1 . . 50 . . 78 GLU N . 28073 1 289 . 1 . 1 79 79 LEU H H 1 6.914 0.002 . 1 . . 147 . . 79 LEU H . 28073 1 290 . 1 . 1 79 79 LEU CA C 13 58.554 0.001 . 1 . . 307 . . 79 LEU CA . 28073 1 291 . 1 . 1 79 79 LEU CB C 13 41.735 0.003 . 1 . . 308 . . 79 LEU CB . 28073 1 292 . 1 . 1 79 79 LEU N N 15 122.609 0.008 . 1 . . 148 . . 79 LEU N . 28073 1 293 . 1 . 1 80 80 VAL H H 1 7.875 0.003 . 1 . . 183 . . 80 VAL H . 28073 1 294 . 1 . 1 80 80 VAL CA C 13 67.469 0.002 . 1 . . 309 . . 80 VAL CA . 28073 1 295 . 1 . 1 80 80 VAL CB C 13 31.551 0.001 . 1 . . 310 . . 80 VAL CB . 28073 1 296 . 1 . 1 80 80 VAL N N 15 118.856 0.007 . 1 . . 184 . . 80 VAL N . 28073 1 297 . 1 . 1 81 81 GLN H H 1 7.998 0.002 . 1 . . 177 . . 81 GLN H . 28073 1 298 . 1 . 1 81 81 GLN CA C 13 59.167 0.01 . 1 . . 311 . . 81 GLN CA . 28073 1 299 . 1 . 1 81 81 GLN CB C 13 28.083 0.002 . 1 . . 312 . . 81 GLN CB . 28073 1 300 . 1 . 1 81 81 GLN N N 15 117.297 0.01 . 1 . . 178 . . 81 GLN N . 28073 1 301 . 1 . 1 82 82 TYR H H 1 7.838 0.002 . 1 . . 113 . . 82 TYR H . 28073 1 302 . 1 . 1 82 82 TYR CA C 13 62.270 0.0 . 1 . . 313 . . 82 TYR CA . 28073 1 303 . 1 . 1 82 82 TYR CB C 13 39.110 0.01 . 1 . . 314 . . 82 TYR CB . 28073 1 304 . 1 . 1 82 82 TYR N N 15 118.386 0.005 . 1 . . 114 . . 82 TYR N . 28073 1 305 . 1 . 1 83 83 TYR H H 1 7.820 0.002 . 1 . . 185 . . 83 TYR H . 28073 1 306 . 1 . 1 83 83 TYR CA C 13 62.777 0.001 . 1 . . 315 . . 83 TYR CA . 28073 1 307 . 1 . 1 83 83 TYR CB C 13 38.007 0.003 . 1 . . 316 . . 83 TYR CB . 28073 1 308 . 1 . 1 83 83 TYR N N 15 117.222 0.01 . 1 . . 186 . . 83 TYR N . 28073 1 309 . 1 . 1 84 84 MET H H 1 8.239 0.002 . 1 . . 127 . . 84 MET H . 28073 1 310 . 1 . 1 84 84 MET CA C 13 59.231 0.005 . 1 . . 318 . . 84 MET CA . 28073 1 311 . 1 . 1 84 84 MET CB C 13 34.180 0.002 . 1 . . 317 . . 84 MET CB . 28073 1 312 . 1 . 1 84 84 MET N N 15 119.872 0.006 . 1 . . 128 . . 84 MET N . 28073 1 313 . 1 . 1 85 85 GLU H H 1 7.480 0.002 . 1 . . 53 . . 85 GLU H . 28073 1 314 . 1 . 1 85 85 GLU CA C 13 57.057 0.001 . 1 . . 320 . . 85 GLU CA . 28073 1 315 . 1 . 1 85 85 GLU CB C 13 30.643 0.01 . 1 . . 319 . . 85 GLU CB . 28073 1 316 . 1 . 1 85 85 GLU N N 15 115.196 0.004 . 1 . . 54 . . 85 GLU N . 28073 1 317 . 1 . 1 86 86 HIS H H 1 7.506 0.003 . 1 . . 181 . . 86 HIS H . 28073 1 318 . 1 . 1 86 86 HIS CA C 13 54.864 0.053 . 1 . . 322 . . 86 HIS CA . 28073 1 319 . 1 . 1 86 86 HIS CB C 13 27.033 0.012 . 1 . . 321 . . 86 HIS CB . 28073 1 320 . 1 . 1 86 86 HIS N N 15 118.259 0.009 . 1 . . 182 . . 86 HIS N . 28073 1 321 . 1 . 1 87 87 HIS H H 1 8.140 0.004 . 1 . . 191 . . 87 HIS H . 28073 1 322 . 1 . 1 87 87 HIS CA C 13 57.421 . . 1 . . 391 . . 87 HIS CA . 28073 1 323 . 1 . 1 87 87 HIS CB C 13 30.758 . . 1 . . 392 . . 87 HIS CB . 28073 1 324 . 1 . 1 87 87 HIS N N 15 122.355 0.007 . 1 . . 192 . . 87 HIS N . 28073 1 325 . 1 . 1 88 88 GLY CA C 13 45.744 . . 1 . . 380 . . 88 GLY CA . 28073 1 326 . 1 . 1 89 89 GLN H H 1 7.900 0.003 . 1 . . 13 . . 89 GLN H . 28073 1 327 . 1 . 1 89 89 GLN CA C 13 56.274 0.002 . 1 . . 241 . . 89 GLN CA . 28073 1 328 . 1 . 1 89 89 GLN CB C 13 29.442 0.004 . 1 . . 242 . . 89 GLN CB . 28073 1 329 . 1 . 1 89 89 GLN N N 15 116.044 0.004 . 1 . . 14 . . 89 GLN N . 28073 1 330 . 1 . 1 90 90 LEU H H 1 8.220 0.003 . 1 . . 91 . . 90 LEU H . 28073 1 331 . 1 . 1 90 90 LEU CA C 13 53.526 0.006 . 1 . . 243 . . 90 LEU CA . 28073 1 332 . 1 . 1 90 90 LEU CB C 13 42.539 0.004 . 1 . . 244 . . 90 LEU CB . 28073 1 333 . 1 . 1 90 90 LEU N N 15 120.964 0.008 . 1 . . 92 . . 90 LEU N . 28073 1 334 . 1 . 1 91 91 LYS H H 1 8.066 0.003 . 1 . . 59 . . 91 LYS H . 28073 1 335 . 1 . 1 91 91 LYS CA C 13 54.667 0.008 . 1 . . 245 . . 91 LYS CA . 28073 1 336 . 1 . 1 91 91 LYS CB C 13 35.910 0.009 . 1 . . 246 . . 91 LYS CB . 28073 1 337 . 1 . 1 91 91 LYS N N 15 123.978 0.002 . 1 . . 60 . . 91 LYS N . 28073 1 338 . 1 . 1 92 92 GLU H H 1 8.403 0.003 . 1 . . 171 . . 92 GLU H . 28073 1 339 . 1 . 1 92 92 GLU CA C 13 55.737 0.001 . 1 . . 247 . . 92 GLU CA . 28073 1 340 . 1 . 1 92 92 GLU CB C 13 31.967 0.008 . 1 . . 248 . . 92 GLU CB . 28073 1 341 . 1 . 1 92 92 GLU N N 15 121.109 0.006 . 1 . . 172 . . 92 GLU N . 28073 1 342 . 1 . 1 93 93 LYS H H 1 8.606 0.003 . 1 . . 41 . . 93 LYS H . 28073 1 343 . 1 . 1 93 93 LYS CA C 13 59.444 . . 1 . . 393 . . 93 LYS CA . 28073 1 344 . 1 . 1 93 93 LYS CB C 13 32.476 . . 1 . . 394 . . 93 LYS CB . 28073 1 345 . 1 . 1 93 93 LYS N N 15 123.782 0.012 . 1 . . 42 . . 93 LYS N . 28073 1 346 . 1 . 1 94 94 ASN CA C 13 53.469 . . 1 . . 381 . . 94 ASN CA . 28073 1 347 . 1 . 1 94 94 ASN CB C 13 37.546 . . 1 . . 382 . . 94 ASN CB . 28073 1 348 . 1 . 1 95 95 GLY H H 1 8.150 0.003 . 1 . . 3 . . 95 GLY H . 28073 1 349 . 1 . 1 95 95 GLY CA C 13 45.016 0.002 . 1 . . 371 . . 95 GLY CA . 28073 1 350 . 1 . 1 95 95 GLY N N 15 108.715 0.008 . 1 . . 4 . . 95 GLY N . 28073 1 351 . 1 . 1 96 96 ASP H H 1 8.298 0.003 . 1 . . 159 . . 96 ASP H . 28073 1 352 . 1 . 1 96 96 ASP CA C 13 54.577 0.0 . 1 . . 203 . . 96 ASP CA . 28073 1 353 . 1 . 1 96 96 ASP CB C 13 41.302 0.004 . 1 . . 204 . . 96 ASP CB . 28073 1 354 . 1 . 1 96 96 ASP N N 15 122.586 0.006 . 1 . . 160 . . 96 ASP N . 28073 1 355 . 1 . 1 97 97 VAL H H 1 8.292 0.003 . 1 . . 163 . . 97 VAL H . 28073 1 356 . 1 . 1 97 97 VAL CA C 13 61.908 0.011 . 1 . . 201 . . 97 VAL CA . 28073 1 357 . 1 . 1 97 97 VAL CB C 13 33.518 0.0 . 1 . . 202 . . 97 VAL CB . 28073 1 358 . 1 . 1 97 97 VAL N N 15 119.449 0.003 . 1 . . 164 . . 97 VAL N . 28073 1 359 . 1 . 1 98 98 ILE H H 1 8.411 0.003 . 1 . . 161 . . 98 ILE H . 28073 1 360 . 1 . 1 98 98 ILE CA C 13 60.732 0.001 . 1 . . 200 . . 98 ILE CA . 28073 1 361 . 1 . 1 98 98 ILE CB C 13 38.649 0.0 . 1 . . 199 . . 98 ILE CB . 28073 1 362 . 1 . 1 98 98 ILE N N 15 127.712 0.005 . 1 . . 162 . . 98 ILE N . 28073 1 363 . 1 . 1 99 99 GLU H H 1 8.308 0.003 . 1 . . 7 . . 99 GLU H . 28073 1 364 . 1 . 1 99 99 GLU CA C 13 54.781 0.002 . 1 . . 198 . . 99 GLU CA . 28073 1 365 . 1 . 1 99 99 GLU CB C 13 32.182 0.003 . 1 . . 197 . . 99 GLU CB . 28073 1 366 . 1 . 1 99 99 GLU N N 15 125.131 0.003 . 1 . . 8 . . 99 GLU N . 28073 1 367 . 1 . 1 100 100 LEU H H 1 8.769 0.002 . 1 . . 1 . . 100 LEU H . 28073 1 368 . 1 . 1 100 100 LEU CA C 13 53.313 0.007 . 1 . . 238 . . 100 LEU CA . 28073 1 369 . 1 . 1 100 100 LEU CB C 13 40.022 0.004 . 1 . . 237 . . 100 LEU CB . 28073 1 370 . 1 . 1 100 100 LEU N N 15 125.351 0.004 . 1 . . 2 . . 100 LEU N . 28073 1 371 . 1 . 1 101 101 LYS H H 1 8.102 0.003 . 1 . . 117 . . 101 LYS H . 28073 1 372 . 1 . 1 101 101 LYS CA C 13 58.482 0.001 . 1 . . 240 . . 101 LYS CA . 28073 1 373 . 1 . 1 101 101 LYS CB C 13 34.560 0.006 . 1 . . 239 . . 101 LYS CB . 28073 1 374 . 1 . 1 101 101 LYS N N 15 120.240 0.004 . 1 . . 118 . . 101 LYS N . 28073 1 375 . 1 . 1 102 102 TYR H H 1 7.801 0.002 . 1 . . 71 . . 102 TYR H . 28073 1 376 . 1 . 1 102 102 TYR CA C 13 52.735 . . 1 . . 395 . . 102 TYR CA . 28073 1 377 . 1 . 1 102 102 TYR CB C 13 40.708 . . 1 . . 396 . . 102 TYR CB . 28073 1 378 . 1 . 1 102 102 TYR N N 15 116.517 0.004 . 1 . . 72 . . 102 TYR N . 28073 1 379 . 1 . 1 103 103 PRO CA C 13 62.656 . . 1 . . 383 . . 103 PRO CA . 28073 1 380 . 1 . 1 103 103 PRO CB C 13 32.060 . . 1 . . 384 . . 103 PRO CB . 28073 1 381 . 1 . 1 104 104 LEU H H 1 8.784 0.002 . 1 . . 77 . . 104 LEU H . 28073 1 382 . 1 . 1 104 104 LEU CA C 13 54.420 0.002 . 1 . . 356 . . 104 LEU CA . 28073 1 383 . 1 . 1 104 104 LEU CB C 13 41.893 0.001 . 1 . . 357 . . 104 LEU CB . 28073 1 384 . 1 . 1 104 104 LEU N N 15 128.558 0.005 . 1 . . 78 . . 104 LEU N . 28073 1 385 . 1 . 1 105 105 ASN H H 1 8.555 0.002 . 1 . . 155 . . 105 ASN H . 28073 1 386 . 1 . 1 105 105 ASN CA C 13 53.392 0.0 . 1 . . 358 . . 105 ASN CA . 28073 1 387 . 1 . 1 105 105 ASN CB C 13 39.140 0.002 . 1 . . 359 . . 105 ASN CB . 28073 1 388 . 1 . 1 105 105 ASN N N 15 125.839 0.01 . 1 . . 156 . . 105 ASN N . 28073 1 389 . 1 . 1 106 106 CYS H H 1 8.635 0.002 . 1 . . 123 . . 106 CYS H . 28073 1 390 . 1 . 1 106 106 CYS CA C 13 59.049 0.004 . 1 . . 360 . . 106 CYS CA . 28073 1 391 . 1 . 1 106 106 CYS CB C 13 27.165 0.001 . 1 . . 361 . . 106 CYS CB . 28073 1 392 . 1 . 1 106 106 CYS N N 15 121.843 0.003 . 1 . . 124 . . 106 CYS N . 28073 1 393 . 1 . 1 107 107 ALA H H 1 8.063 0.002 . 1 . . 81 . . 107 ALA H . 28073 1 394 . 1 . 1 107 107 ALA CA C 13 54.027 . . 1 . . 362 . . 107 ALA CA . 28073 1 395 . 1 . 1 107 107 ALA CB C 13 20.240 . . 1 . . 363 . . 107 ALA CB . 28073 1 396 . 1 . 1 107 107 ALA N N 15 133.307 0.002 . 1 . . 82 . . 107 ALA N . 28073 1 stop_ save_