################################### # 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 27198 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_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' . . . 27198 1 2 '3D CBCA(CO)NH' . . . 27198 1 3 '3D HNCACB' . . . 27198 1 4 '3D C(CO)NH' . . . 27198 1 5 '3D HNCO' . . . 27198 1 6 '3D HN(CA)CO' . . . 27198 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 5 5 SER CA C 13 58.426 0.000 . 1 . . . . . 6 SER CA . 27198 1 2 . 1 1 5 5 SER CB C 13 64.204 0.000 . 1 . . . . . 6 SER CB . 27198 1 3 . 1 1 6 6 ARG H H 1 8.411 0.000 . 1 . . . . . 7 ARG H . 27198 1 4 . 1 1 6 6 ARG CA C 13 55.146 0.417 . 1 . . . . . 7 ARG CA . 27198 1 5 . 1 1 6 6 ARG CB C 13 32.931 0.154 . 1 . . . . . 7 ARG CB . 27198 1 6 . 1 1 6 6 ARG N N 15 122.776 0.000 . 1 . . . . . 7 ARG N . 27198 1 7 . 1 1 7 7 GLU H H 1 8.383 0.000 . 1 . . . . . 8 GLU H . 27198 1 8 . 1 1 7 7 GLU CA C 13 56.000 0.000 . 1 . . . . . 8 GLU CA . 27198 1 9 . 1 1 7 7 GLU CB C 13 32.371 0.000 . 1 . . . . . 8 GLU CB . 27198 1 10 . 1 1 7 7 GLU N N 15 121.919 0.063 . 1 . . . . . 8 GLU N . 27198 1 11 . 1 1 8 8 GLU C C 13 176.104 0.000 . 1 . . . . . 9 GLU C . 27198 1 12 . 1 1 8 8 GLU CA C 13 47.161 11.234 . 1 . . . . . 9 GLU CA . 27198 1 13 . 1 1 8 8 GLU CB C 13 31.158 0.000 . 1 . . . . . 9 GLU CB . 27198 1 14 . 1 1 9 9 LEU H H 1 9.204 0.000 . 1 . . . . . 10 LEU H . 27198 1 15 . 1 1 9 9 LEU C C 13 175.102 0.000 . 1 . . . . . 10 LEU C . 27198 1 16 . 1 1 9 9 LEU CA C 13 54.345 0.020 . 1 . . . . . 10 LEU CA . 27198 1 17 . 1 1 9 9 LEU CB C 13 44.937 0.202 . 1 . . . . . 10 LEU CB . 27198 1 18 . 1 1 9 9 LEU N N 15 124.572 0.000 . 1 . . . . . 10 LEU N . 27198 1 19 . 1 1 10 10 THR H H 1 8.566 0.000 . 1 . . . . . 11 THR H . 27198 1 20 . 1 1 10 10 THR C C 13 173.747 0.000 . 1 . . . . . 11 THR C . 27198 1 21 . 1 1 10 10 THR CA C 13 62.673 0.145 . 1 . . . . . 11 THR CA . 27198 1 22 . 1 1 10 10 THR CB C 13 69.229 0.116 . 1 . . . . . 11 THR CB . 27198 1 23 . 1 1 10 10 THR N N 15 119.932 0.000 . 1 . . . . . 11 THR N . 27198 1 24 . 1 1 11 11 LEU H H 1 9.209 0.000 . 1 . . . . . 12 LEU H . 27198 1 25 . 1 1 11 11 LEU C C 13 174.193 0.000 . 1 . . . . . 12 LEU C . 27198 1 26 . 1 1 11 11 LEU CA C 13 53.500 0.132 . 1 . . . . . 12 LEU CA . 27198 1 27 . 1 1 11 11 LEU CB C 13 44.792 0.231 . 1 . . . . . 12 LEU CB . 27198 1 28 . 1 1 11 11 LEU N N 15 127.720 0.000 . 1 . . . . . 12 LEU N . 27198 1 29 . 1 1 12 12 HIS H H 1 8.354 0.000 . 1 . . . . . 13 HIS H . 27198 1 30 . 1 1 12 12 HIS C C 13 174.804 0.000 . 1 . . . . . 13 HIS C . 27198 1 31 . 1 1 12 12 HIS CA C 13 54.961 0.115 . 1 . . . . . 13 HIS CA . 27198 1 32 . 1 1 12 12 HIS CB C 13 29.714 0.116 . 1 . . . . . 13 HIS CB . 27198 1 33 . 1 1 12 12 HIS N N 15 123.588 0.000 . 1 . . . . . 13 HIS N . 27198 1 34 . 1 1 13 13 ILE H H 1 9.159 0.000 . 1 . . . . . 14 ILE H . 27198 1 35 . 1 1 13 13 ILE CA C 13 59.235 0.000 . 1 . . . . . 14 ILE CA . 27198 1 36 . 1 1 13 13 ILE CB C 13 40.402 0.000 . 1 . . . . . 14 ILE CB . 27198 1 37 . 1 1 13 13 ILE N N 15 127.924 0.000 . 1 . . . . . 14 ILE N . 27198 1 38 . 1 1 14 14 PRO C C 13 175.992 0.000 . 1 . . . . . 15 PRO C . 27198 1 39 . 1 1 14 14 PRO CA C 13 62.961 0.000 . 1 . . . . . 15 PRO CA . 27198 1 40 . 1 1 14 14 PRO CB C 13 32.402 0.000 . 1 . . . . . 15 PRO CB . 27198 1 41 . 1 1 15 15 VAL H H 1 8.213 0.000 . 1 . . . . . 16 VAL H . 27198 1 42 . 1 1 15 15 VAL C C 13 176.572 0.000 . 1 . . . . . 16 VAL C . 27198 1 43 . 1 1 15 15 VAL CA C 13 62.050 1.345 . 1 . . . . . 16 VAL CA . 27198 1 44 . 1 1 15 15 VAL CB C 13 33.775 0.884 . 1 . . . . . 16 VAL CB . 27198 1 45 . 1 1 15 15 VAL N N 15 120.338 0.000 . 1 . . . . . 16 VAL N . 27198 1 46 . 1 1 16 16 HIS H H 1 8.195 0.000 . 1 . . . . . 17 HIS H . 27198 1 47 . 1 1 16 16 HIS CA C 13 60.853 0.000 . 1 . . . . . 17 HIS CA . 27198 1 48 . 1 1 16 16 HIS CB C 13 29.822 0.000 . 1 . . . . . 17 HIS CB . 27198 1 49 . 1 1 16 16 HIS N N 15 120.338 0.000 . 1 . . . . . 17 HIS N . 27198 1 50 . 1 1 17 17 ASP C C 13 176.784 0.000 . 1 . . . . . 18 ASP C . 27198 1 51 . 1 1 17 17 ASP CA C 13 55.942 0.000 . 1 . . . . . 18 ASP CA . 27198 1 52 . 1 1 17 17 ASP CB C 13 40.878 0.000 . 1 . . . . . 18 ASP CB . 27198 1 53 . 1 1 18 18 THR H H 1 8.070 0.000 . 1 . . . . . 19 THR H . 27198 1 54 . 1 1 18 18 THR C C 13 175.170 0.000 . 1 . . . . . 19 THR C . 27198 1 55 . 1 1 18 18 THR CA C 13 62.355 0.231 . 1 . . . . . 19 THR CA . 27198 1 56 . 1 1 18 18 THR CB C 13 69.461 0.058 . 1 . . . . . 19 THR CB . 27198 1 57 . 1 1 18 18 THR N N 15 109.845 0.000 . 1 . . . . . 19 THR N . 27198 1 58 . 1 1 19 19 GLU H H 1 8.077 0.000 . 1 . . . . . 20 GLU H . 27198 1 59 . 1 1 19 19 GLU C C 13 177.018 0.000 . 1 . . . . . 20 GLU C . 27198 1 60 . 1 1 19 19 GLU CA C 13 57.235 0.036 . 1 . . . . . 20 GLU CA . 27198 1 61 . 1 1 19 19 GLU CB C 13 29.917 0.087 . 1 . . . . . 20 GLU CB . 27198 1 62 . 1 1 19 19 GLU N N 15 122.642 0.000 . 1 . . . . . 20 GLU N . 27198 1 63 . 1 1 20 20 LYS H H 1 8.348 0.000 . 1 . . . . . 21 LYS H . 27198 1 64 . 1 1 20 20 LYS C C 13 174.766 0.000 . 1 . . . . . 21 LYS C . 27198 1 65 . 1 1 20 20 LYS CA C 13 57.907 0.058 . 1 . . . . . 21 LYS CA . 27198 1 66 . 1 1 20 20 LYS CB C 13 32.574 0.087 . 1 . . . . . 21 LYS CB . 27198 1 67 . 1 1 20 20 LYS N N 15 123.588 0.000 . 1 . . . . . 21 LYS N . 27198 1 68 . 1 1 21 21 ALA H H 1 8.426 0.000 . 1 . . . . . 22 ALA H . 27198 1 69 . 1 1 21 21 ALA C C 13 178.101 0.000 . 1 . . . . . 22 ALA C . 27198 1 70 . 1 1 21 21 ALA CA C 13 52.794 0.087 . 1 . . . . . 22 ALA CA . 27198 1 71 . 1 1 21 21 ALA CB C 13 19.459 0.029 . 1 . . . . . 22 ALA CB . 27198 1 72 . 1 1 21 21 ALA N N 15 121.525 0.000 . 1 . . . . . 22 ALA N . 27198 1 73 . 1 1 22 22 GLY H H 1 8.038 0.000 . 1 . . . . . 23 GLY H . 27198 1 74 . 1 1 22 22 GLY CA C 13 45.948 0.000 . 1 . . . . . 23 GLY CA . 27198 1 75 . 1 1 22 22 GLY N N 15 106.595 0.000 . 1 . . . . . 23 GLY N . 27198 1 76 . 1 1 23 23 LEU C C 13 177.230 0.000 . 1 . . . . . 24 LEU C . 27198 1 77 . 1 1 23 23 LEU CA C 13 56.520 0.000 . 1 . . . . . 24 LEU CA . 27198 1 78 . 1 1 23 23 LEU CB C 13 43.695 0.000 . 1 . . . . . 24 LEU CB . 27198 1 79 . 1 1 24 24 GLY H H 1 8.491 0.000 . 1 . . . . . 25 GLY H . 27198 1 80 . 1 1 24 24 GLY C C 13 174.617 0.000 . 1 . . . . . 25 GLY C . 27198 1 81 . 1 1 24 24 GLY CA C 13 47.739 0.115 . 1 . . . . . 25 GLY CA . 27198 1 82 . 1 1 24 24 GLY N N 15 107.002 0.000 . 1 . . . . . 25 GLY N . 27198 1 83 . 1 1 25 25 VAL H H 1 7.966 0.000 . 1 . . . . . 26 VAL H . 27198 1 84 . 1 1 25 25 VAL C C 13 174.426 0.000 . 1 . . . . . 26 VAL C . 27198 1 85 . 1 1 25 25 VAL CA C 13 59.784 0.087 . 1 . . . . . 26 VAL CA . 27198 1 86 . 1 1 25 25 VAL CB C 13 36.185 0.058 . 1 . . . . . 26 VAL CB . 27198 1 87 . 1 1 25 25 VAL N N 15 115.228 0.000 . 1 . . . . . 26 VAL N . 27198 1 88 . 1 1 26 26 SER H H 1 8.751 0.000 . 1 . . . . . 27 SER H . 27198 1 89 . 1 1 26 26 SER C C 13 174.830 0.000 . 1 . . . . . 27 SER C . 27198 1 90 . 1 1 26 26 SER CA C 13 56.520 0.058 . 1 . . . . . 27 SER CA . 27198 1 91 . 1 1 26 26 SER CB C 13 65.012 0.115 . 1 . . . . . 27 SER CB . 27198 1 92 . 1 1 26 26 SER N N 15 119.291 0.000 . 1 . . . . . 27 SER N . 27198 1 93 . 1 1 27 27 VAL H H 1 8.928 0.000 . 1 . . . . . 28 VAL H . 27198 1 94 . 1 1 27 27 VAL C C 13 174.044 0.000 . 1 . . . . . 28 VAL C . 27198 1 95 . 1 1 27 27 VAL CA C 13 59.899 0.144 . 1 . . . . . 28 VAL CA . 27198 1 96 . 1 1 27 27 VAL CB C 13 35.606 0.058 . 1 . . . . . 28 VAL CB . 27198 1 97 . 1 1 27 27 VAL N N 15 119.595 0.000 . 1 . . . . . 28 VAL N . 27198 1 98 . 1 1 28 28 LYS H H 1 9.197 0.000 . 1 . . . . . 29 LYS H . 27198 1 99 . 1 1 28 28 LYS C C 13 175.042 0.000 . 1 . . . . . 29 LYS C . 27198 1 100 . 1 1 28 28 LYS CA C 13 54.816 0.202 . 1 . . . . . 29 LYS CA . 27198 1 101 . 1 1 28 28 LYS CB C 13 36.965 0.087 . 1 . . . . . 29 LYS CB . 27198 1 102 . 1 1 28 28 LYS N N 15 119.697 0.000 . 1 . . . . . 29 LYS N . 27198 1 103 . 1 1 29 29 GLY H H 1 9.057 0.000 . 1 . . . . . 30 GLY H . 27198 1 104 . 1 1 29 29 GLY C C 13 173.640 0.000 . 1 . . . . . 30 GLY C . 27198 1 105 . 1 1 29 29 GLY CA C 13 45.162 0.035 . 1 . . . . . 30 GLY CA . 27198 1 106 . 1 1 29 29 GLY N N 15 112.080 0.000 . 1 . . . . . 30 GLY N . 27198 1 107 . 1 1 30 30 LYS H H 1 8.696 0.000 . 1 . . . . . 31 LYS H . 27198 1 108 . 1 1 30 30 LYS CA C 13 55.885 0.000 . 1 . . . . . 31 LYS CA . 27198 1 109 . 1 1 30 30 LYS CB C 13 36.546 0.000 . 1 . . . . . 31 LYS CB . 27198 1 110 . 1 1 30 30 LYS N N 15 121.557 0.000 . 1 . . . . . 31 LYS N . 27198 1 111 . 1 1 32 32 CYS CA C 13 55.790 0.000 . 1 . . . . . 33 CYS CA . 27198 1 112 . 1 1 32 32 CYS CB C 13 31.227 0.000 . 1 . . . . . 33 CYS CB . 27198 1 113 . 1 1 33 33 SER H H 1 7.977 0.000 . 1 . . . . . 34 SER H . 27198 1 114 . 1 1 33 33 SER CA C 13 60.258 0.000 . 1 . . . . . 34 SER CA . 27198 1 115 . 1 1 33 33 SER CB C 13 65.403 0.000 . 1 . . . . . 34 SER CB . 27198 1 116 . 1 1 33 33 SER N N 15 123.588 0.000 . 1 . . . . . 34 SER N . 27198 1 117 . 1 1 34 34 ASP C C 13 175.552 0.000 . 1 . . . . . 35 ASP C . 27198 1 118 . 1 1 34 34 ASP CA C 13 54.729 0.000 . 1 . . . . . 35 ASP CA . 27198 1 119 . 1 1 34 34 ASP CB C 13 41.904 0.000 . 1 . . . . . 35 ASP CB . 27198 1 120 . 1 1 35 35 GLY H H 1 7.761 0.000 . 1 . . . . . 36 GLY H . 27198 1 121 . 1 1 35 35 GLY C C 13 172.876 0.000 . 1 . . . . . 36 GLY C . 27198 1 122 . 1 1 35 35 GLY CA C 13 44.760 0.087 . 1 . . . . . 36 GLY CA . 27198 1 123 . 1 1 35 35 GLY N N 15 108.830 0.000 . 1 . . . . . 36 GLY N . 27198 1 124 . 1 1 36 36 ASP H H 1 8.576 0.000 . 1 . . . . . 37 ASP H . 27198 1 125 . 1 1 36 36 ASP C C 13 177.273 0.000 . 1 . . . . . 37 ASP C . 27198 1 126 . 1 1 36 36 ASP CA C 13 55.844 0.013 . 1 . . . . . 37 ASP CA . 27198 1 127 . 1 1 36 36 ASP CB C 13 40.213 0.075 . 1 . . . . . 37 ASP CB . 27198 1 128 . 1 1 36 36 ASP N N 15 121.424 0.000 . 1 . . . . . 37 ASP N . 27198 1 129 . 1 1 37 37 LEU H H 1 8.767 0.000 . 1 . . . . . 38 LEU H . 27198 1 130 . 1 1 37 37 LEU CA C 13 55.472 0.000 . 1 . . . . . 38 LEU CA . 27198 1 131 . 1 1 37 37 LEU CB C 13 45.194 0.000 . 1 . . . . . 38 LEU CB . 27198 1 132 . 1 1 37 37 LEU N N 15 120.338 0.000 . 1 . . . . . 38 LEU N . 27198 1 133 . 1 1 39 39 ILE C C 13 174.469 0.000 . 1 . . . . . 40 ILE C . 27198 1 134 . 1 1 39 39 ILE CA C 13 58.600 0.000 . 1 . . . . . 40 ILE CA . 27198 1 135 . 1 1 39 39 ILE CB C 13 38.842 0.000 . 1 . . . . . 40 ILE CB . 27198 1 136 . 1 1 40 40 PHE H H 1 8.918 0.000 . 1 . . . . . 41 PHE H . 27198 1 137 . 1 1 40 40 PHE C C 13 175.828 0.000 . 1 . . . . . 41 PHE C . 27198 1 138 . 1 1 40 40 PHE CA C 13 55.590 0.168 . 1 . . . . . 41 PHE CA . 27198 1 139 . 1 1 40 40 PHE CB C 13 43.887 0.077 . 1 . . . . . 41 PHE CB . 27198 1 140 . 1 1 40 40 PHE N N 15 122.776 0.000 . 1 . . . . . 41 PHE N . 27198 1 141 . 1 1 41 41 VAL H H 1 9.086 0.000 . 1 . . . . . 42 VAL H . 27198 1 142 . 1 1 41 41 VAL C C 13 175.786 0.000 . 1 . . . . . 42 VAL C . 27198 1 143 . 1 1 41 41 VAL CA C 13 64.868 0.144 . 1 . . . . . 42 VAL CA . 27198 1 144 . 1 1 41 41 VAL CB C 13 32.285 0.029 . 1 . . . . . 42 VAL CB . 27198 1 145 . 1 1 41 41 VAL N N 15 120.611 0.000 . 1 . . . . . 42 VAL N . 27198 1 146 . 1 1 42 42 LYS H H 1 9.548 0.000 . 1 . . . . . 43 LYS H . 27198 1 147 . 1 1 42 42 LYS C C 13 174.830 0.000 . 1 . . . . . 43 LYS C . 27198 1 148 . 1 1 42 42 LYS CA C 13 57.185 0.203 . 1 . . . . . 43 LYS CA . 27198 1 149 . 1 1 42 42 LYS CB C 13 33.672 0.145 . 1 . . . . . 43 LYS CB . 27198 1 150 . 1 1 42 42 LYS N N 15 107.408 0.000 . 1 . . . . . 43 LYS N . 27198 1 151 . 1 1 43 43 ASN H H 1 7.611 0.000 . 1 . . . . . 44 ASN H . 27198 1 152 . 1 1 43 43 ASN C C 13 172.812 0.000 . 1 . . . . . 44 ASN C . 27198 1 153 . 1 1 43 43 ASN CA C 13 53.198 0.087 . 1 . . . . . 44 ASN CA . 27198 1 154 . 1 1 43 43 ASN CB C 13 42.135 0.058 . 1 . . . . . 44 ASN CB . 27198 1 155 . 1 1 43 43 ASN N N 15 112.994 0.000 . 1 . . . . . 44 ASN N . 27198 1 156 . 1 1 44 44 VAL H H 1 8.576 0.000 . 1 . . . . . 45 VAL H . 27198 1 157 . 1 1 44 44 VAL C C 13 175.191 0.000 . 1 . . . . . 45 VAL C . 27198 1 158 . 1 1 44 44 VAL CA C 13 62.500 0.145 . 1 . . . . . 45 VAL CA . 27198 1 159 . 1 1 44 44 VAL CB C 13 32.400 0.144 . 1 . . . . . 45 VAL CB . 27198 1 160 . 1 1 44 44 VAL N N 15 123.556 0.000 . 1 . . . . . 45 VAL N . 27198 1 161 . 1 1 45 45 ILE H H 1 8.204 0.000 . 1 . . . . . 46 ILE H . 27198 1 162 . 1 1 45 45 ILE C C 13 177.209 0.000 . 1 . . . . . 46 ILE C . 27198 1 163 . 1 1 45 45 ILE CA C 13 62.350 0.294 . 1 . . . . . 46 ILE CA . 27198 1 164 . 1 1 45 45 ILE CB C 13 38.155 0.007 . 1 . . . . . 46 ILE CB . 27198 1 165 . 1 1 45 45 ILE N N 15 128.025 0.000 . 1 . . . . . 46 ILE N . 27198 1 166 . 1 1 46 46 HIS H H 1 9.189 0.000 . 1 . . . . . 47 HIS H . 27198 1 167 . 1 1 46 46 HIS CA C 13 59.383 0.000 . 1 . . . . . 47 HIS CA . 27198 1 168 . 1 1 46 46 HIS CB C 13 30.624 0.000 . 1 . . . . . 47 HIS CB . 27198 1 169 . 1 1 46 46 HIS N N 15 130.901 0.000 . 1 . . . . . 47 HIS N . 27198 1 170 . 1 1 47 47 GLY C C 13 174.791 0.000 . 1 . . . . . 48 GLY C . 27198 1 171 . 1 1 48 48 GLY H H 1 7.611 0.000 . 1 . . . . . 49 GLY H . 27198 1 172 . 1 1 48 48 GLY C C 13 173.870 0.000 . 1 . . . . . 49 GLY C . 27198 1 173 . 1 1 48 48 GLY CA C 13 45.069 0.069 . 1 . . . . . 49 GLY CA . 27198 1 174 . 1 1 48 48 GLY N N 15 106.526 0.000 . 1 . . . . . 49 GLY N . 27198 1 175 . 1 1 49 49 ALA H H 1 8.806 0.000 . 1 . . . . . 50 ALA H . 27198 1 176 . 1 1 49 49 ALA C C 13 181.309 0.000 . 1 . . . . . 50 ALA C . 27198 1 177 . 1 1 49 49 ALA CA C 13 55.956 0.000 . 1 . . . . . 50 ALA CA . 27198 1 178 . 1 1 49 49 ALA CB C 13 19.575 0.029 . 1 . . . . . 50 ALA CB . 27198 1 179 . 1 1 49 49 ALA N N 15 121.220 0.000 . 1 . . . . . 50 ALA N . 27198 1 180 . 1 1 50 50 ALA H H 1 8.767 0.000 . 1 . . . . . 51 ALA H . 27198 1 181 . 1 1 50 50 ALA C C 13 180.926 0.000 . 1 . . . . . 51 ALA C . 27198 1 182 . 1 1 50 50 ALA CA C 13 55.548 0.105 . 1 . . . . . 51 ALA CA . 27198 1 183 . 1 1 50 50 ALA CB C 13 18.853 0.058 . 1 . . . . . 51 ALA CB . 27198 1 184 . 1 1 50 50 ALA N N 15 119.494 0.000 . 1 . . . . . 51 ALA N . 27198 1 185 . 1 1 51 51 SER H H 1 9.136 0.000 . 1 . . . . . 52 SER H . 27198 1 186 . 1 1 51 51 SER C C 13 176.381 0.000 . 1 . . . . . 52 SER C . 27198 1 187 . 1 1 51 51 SER CA C 13 60.968 0.058 . 1 . . . . . 52 SER CA . 27198 1 188 . 1 1 51 51 SER CB C 13 63.106 0.058 . 1 . . . . . 52 SER CB . 27198 1 189 . 1 1 51 51 SER N N 15 119.088 0.000 . 1 . . . . . 52 SER N . 27198 1 190 . 1 1 52 52 ARG H H 1 8.254 0.000 . 1 . . . . . 53 ARG H . 27198 1 191 . 1 1 52 52 ARG C C 13 178.229 0.000 . 1 . . . . . 53 ARG C . 27198 1 192 . 1 1 52 52 ARG CA C 13 59.438 0.086 . 1 . . . . . 53 ARG CA . 27198 1 193 . 1 1 52 52 ARG CB C 13 30.378 0.029 . 1 . . . . . 53 ARG CB . 27198 1 194 . 1 1 52 52 ARG N N 15 119.494 0.000 . 1 . . . . . 53 ARG N . 27198 1 195 . 1 1 53 53 ASP H H 1 7.541 0.000 . 1 . . . . . 54 ASP H . 27198 1 196 . 1 1 53 53 ASP C C 13 177.868 0.000 . 1 . . . . . 54 ASP C . 27198 1 197 . 1 1 53 53 ASP CA C 13 57.155 0.174 . 1 . . . . . 54 ASP CA . 27198 1 198 . 1 1 53 53 ASP CB C 13 44.618 0.000 . 1 . . . . . 54 ASP CB . 27198 1 199 . 1 1 53 53 ASP N N 15 117.901 0.000 . 1 . . . . . 54 ASP N . 27198 1 200 . 1 1 54 54 GLY H H 1 7.706 0.000 . 1 . . . . . 55 GLY H . 27198 1 201 . 1 1 54 54 GLY C C 13 174.979 0.000 . 1 . . . . . 55 GLY C . 27198 1 202 . 1 1 54 54 GLY CA C 13 46.684 0.157 . 1 . . . . . 55 GLY CA . 27198 1 203 . 1 1 54 54 GLY N N 15 129.276 0.000 . 1 . . . . . 55 GLY N . 27198 1 204 . 1 1 55 55 ARG H H 1 7.889 0.000 . 1 . . . . . 56 ARG H . 27198 1 205 . 1 1 55 55 ARG C C 13 177.082 0.000 . 1 . . . . . 56 ARG C . 27198 1 206 . 1 1 55 55 ARG CA C 13 58.442 0.131 . 1 . . . . . 56 ARG CA . 27198 1 207 . 1 1 55 55 ARG CB C 13 33.533 0.063 . 1 . . . . . 56 ARG CB . 27198 1 208 . 1 1 55 55 ARG N N 15 119.526 0.000 . 1 . . . . . 56 ARG N . 27198 1 209 . 1 1 56 56 LEU H H 1 9.299 0.000 . 1 . . . . . 57 LEU H . 27198 1 210 . 1 1 56 56 LEU C C 13 175.531 0.000 . 1 . . . . . 57 LEU C . 27198 1 211 . 1 1 56 56 LEU CA C 13 55.884 0.232 . 1 . . . . . 57 LEU CA . 27198 1 212 . 1 1 56 56 LEU CB C 13 43.868 0.173 . 1 . . . . . 57 LEU CB . 27198 1 213 . 1 1 56 56 LEU N N 15 123.353 0.000 . 1 . . . . . 57 LEU N . 27198 1 214 . 1 1 57 57 ARG H H 1 8.772 0.000 . 1 . . . . . 58 ARG H . 27198 1 215 . 1 1 57 57 ARG C C 13 175.680 0.000 . 1 . . . . . 58 ARG C . 27198 1 216 . 1 1 57 57 ARG CA C 13 54.208 0.000 . 1 . . . . . 58 ARG CA . 27198 1 217 . 1 1 57 57 ARG CB C 13 34.835 0.077 . 1 . . . . . 58 ARG CB . 27198 1 218 . 1 1 57 57 ARG N N 15 123.963 0.000 . 1 . . . . . 58 ARG N . 27198 1 219 . 1 1 58 58 MET H H 1 8.576 0.000 . 1 . . . . . 59 MET H . 27198 1 220 . 1 1 58 58 MET C C 13 177.273 0.000 . 1 . . . . . 59 MET C . 27198 1 221 . 1 1 58 58 MET CA C 13 58.312 0.080 . 1 . . . . . 59 MET CA . 27198 1 222 . 1 1 58 58 MET CB C 13 33.328 0.041 . 1 . . . . . 59 MET CB . 27198 1 223 . 1 1 58 58 MET N N 15 119.119 0.000 . 1 . . . . . 59 MET N . 27198 1 224 . 1 1 59 59 ASN H H 1 9.507 0.000 . 1 . . . . . 60 ASN H . 27198 1 225 . 1 1 59 59 ASN C C 13 174.511 0.000 . 1 . . . . . 60 ASN C . 27198 1 226 . 1 1 59 59 ASN CA C 13 56.455 0.131 . 1 . . . . . 60 ASN CA . 27198 1 227 . 1 1 59 59 ASN CB C 13 37.770 0.083 . 1 . . . . . 60 ASN CB . 27198 1 228 . 1 1 59 59 ASN N N 15 119.119 0.000 . 1 . . . . . 60 ASN N . 27198 1 229 . 1 1 60 60 ASP H H 1 8.012 0.000 . 1 . . . . . 61 ASP H . 27198 1 230 . 1 1 60 60 ASP C C 13 175.807 0.000 . 1 . . . . . 61 ASP C . 27198 1 231 . 1 1 60 60 ASP CA C 13 56.313 0.140 . 1 . . . . . 61 ASP CA . 27198 1 232 . 1 1 60 60 ASP CB C 13 41.000 0.043 . 1 . . . . . 61 ASP CB . 27198 1 233 . 1 1 60 60 ASP N N 15 121.963 0.000 . 1 . . . . . 61 ASP N . 27198 1 234 . 1 1 61 61 GLN H H 1 9.472 0.000 . 1 . . . . . 62 GLN H . 27198 1 235 . 1 1 61 61 GLN C C 13 176.551 0.000 . 1 . . . . . 62 GLN C . 27198 1 236 . 1 1 61 61 GLN CA C 13 54.560 0.120 . 1 . . . . . 62 GLN CA . 27198 1 237 . 1 1 61 61 GLN CB C 13 29.757 0.159 . 1 . . . . . 62 GLN CB . 27198 1 238 . 1 1 61 61 GLN N N 15 123.994 0.000 . 1 . . . . . 62 GLN N . 27198 1 239 . 1 1 62 62 LEU H H 1 8.580 0.000 . 1 . . . . . 63 LEU H . 27198 1 240 . 1 1 62 62 LEU C C 13 174.171 0.000 . 1 . . . . . 63 LEU C . 27198 1 241 . 1 1 62 62 LEU CA C 13 55.221 0.145 . 1 . . . . . 63 LEU CA . 27198 1 242 . 1 1 62 62 LEU CB C 13 41.269 0.058 . 1 . . . . . 63 LEU CB . 27198 1 243 . 1 1 62 62 LEU N N 15 126.705 0.000 . 1 . . . . . 63 LEU N . 27198 1 244 . 1 1 63 63 LEU H H 1 8.866 0.000 . 1 . . . . . 64 LEU H . 27198 1 245 . 1 1 63 63 LEU C C 13 177.889 0.000 . 1 . . . . . 64 LEU C . 27198 1 246 . 1 1 63 63 LEU CA C 13 55.942 0.000 . 1 . . . . . 64 LEU CA . 27198 1 247 . 1 1 63 63 LEU CB C 13 42.799 0.145 . 1 . . . . . 64 LEU CB . 27198 1 248 . 1 1 63 63 LEU N N 15 123.588 0.000 . 1 . . . . . 64 LEU N . 27198 1 249 . 1 1 64 64 SER H H 1 7.804 0.000 . 1 . . . . . 65 SER H . 27198 1 250 . 1 1 64 64 SER C C 13 172.493 0.000 . 1 . . . . . 65 SER C . 27198 1 251 . 1 1 64 64 SER CA C 13 57.675 0.231 . 1 . . . . . 65 SER CA . 27198 1 252 . 1 1 64 64 SER CB C 13 65.600 0.049 . 1 . . . . . 65 SER CB . 27198 1 253 . 1 1 64 64 SER N N 15 112.994 0.000 . 1 . . . . . 65 SER N . 27198 1 254 . 1 1 65 65 VAL H H 1 8.625 0.000 . 1 . . . . . 66 VAL H . 27198 1 255 . 1 1 65 65 VAL C C 13 174.363 0.000 . 1 . . . . . 66 VAL C . 27198 1 256 . 1 1 65 65 VAL CA C 13 59.896 0.083 . 1 . . . . . 66 VAL CA . 27198 1 257 . 1 1 65 65 VAL CB C 13 34.487 0.036 . 1 . . . . . 66 VAL CB . 27198 1 258 . 1 1 65 65 VAL N N 15 122.776 0.000 . 1 . . . . . 66 VAL N . 27198 1 259 . 1 1 66 66 ASN H H 1 10.021 0.000 . 1 . . . . . 67 ASN H . 27198 1 260 . 1 1 66 66 ASN C C 13 174.915 0.000 . 1 . . . . . 67 ASN C . 27198 1 261 . 1 1 66 66 ASN CA C 13 54.277 0.182 . 1 . . . . . 67 ASN CA . 27198 1 262 . 1 1 66 66 ASN CB C 13 37.452 0.112 . 1 . . . . . 67 ASN CB . 27198 1 263 . 1 1 66 66 ASN N N 15 126.838 0.000 . 1 . . . . . 67 ASN N . 27198 1 264 . 1 1 67 67 GLY H H 1 8.843 0.000 . 1 . . . . . 68 GLY H . 27198 1 265 . 1 1 67 67 GLY C C 13 173.725 0.000 . 1 . . . . . 68 GLY C . 27198 1 266 . 1 1 67 67 GLY CA C 13 45.451 0.163 . 1 . . . . . 68 GLY CA . 27198 1 267 . 1 1 67 67 GLY N N 15 128.463 0.000 . 1 . . . . . 68 GLY N . 27198 1 268 . 1 1 68 68 VAL H H 1 8.195 0.000 . 1 . . . . . 69 VAL H . 27198 1 269 . 1 1 68 68 VAL C C 13 175.106 0.000 . 1 . . . . . 69 VAL C . 27198 1 270 . 1 1 68 68 VAL CA C 13 62.437 0.139 . 1 . . . . . 69 VAL CA . 27198 1 271 . 1 1 68 68 VAL CB C 13 31.891 0.097 . 1 . . . . . 69 VAL CB . 27198 1 272 . 1 1 68 68 VAL N N 15 125.213 0.000 . 1 . . . . . 69 VAL N . 27198 1 273 . 1 1 69 69 SER H H 1 8.569 0.000 . 1 . . . . . 70 SER H . 27198 1 274 . 1 1 69 69 SER C C 13 175.828 0.000 . 1 . . . . . 70 SER C . 27198 1 275 . 1 1 69 69 SER CA C 13 58.784 0.069 . 1 . . . . . 70 SER CA . 27198 1 276 . 1 1 69 69 SER CB C 13 64.224 0.136 . 1 . . . . . 70 SER CB . 27198 1 277 . 1 1 69 69 SER N N 15 120.338 0.000 . 1 . . . . . 70 SER N . 27198 1 278 . 1 1 70 70 LEU H H 1 8.570 0.000 . 1 . . . . . 71 LEU H . 27198 1 279 . 1 1 70 70 LEU C C 13 177.740 0.000 . 1 . . . . . 71 LEU C . 27198 1 280 . 1 1 70 70 LEU CA C 13 54.366 0.000 . 1 . . . . . 71 LEU CA . 27198 1 281 . 1 1 70 70 LEU CB C 13 41.752 0.079 . 1 . . . . . 71 LEU CB . 27198 1 282 . 1 1 70 70 LEU N N 15 124.807 0.000 . 1 . . . . . 71 LEU N . 27198 1 283 . 1 1 71 71 ARG H H 1 8.150 0.000 . 1 . . . . . 72 ARG H . 27198 1 284 . 1 1 71 71 ARG C C 13 177.423 0.000 . 1 . . . . . 72 ARG C . 27198 1 285 . 1 1 71 71 ARG CA C 13 57.471 0.206 . 1 . . . . . 72 ARG CA . 27198 1 286 . 1 1 71 71 ARG CB C 13 31.121 0.152 . 1 . . . . . 72 ARG CB . 27198 1 287 . 1 1 71 71 ARG N N 15 120.338 0.000 . 1 . . . . . 72 ARG N . 27198 1 288 . 1 1 72 72 GLY H H 1 8.920 0.002 . 1 . . . . . 73 GLY H . 27198 1 289 . 1 1 72 72 GLY C C 13 173.704 0.000 . 1 . . . . . 73 GLY C . 27198 1 290 . 1 1 72 72 GLY N N 15 110.994 0.000 . 1 . . . . . 73 GLY N . 27198 1 291 . 1 1 73 73 GLN H H 1 7.221 0.000 . 1 . . . . . 74 GLN H . 27198 1 292 . 1 1 73 73 GLN C C 13 176.083 0.000 . 1 . . . . . 74 GLN C . 27198 1 293 . 1 1 73 73 GLN N N 15 117.869 0.000 . 1 . . . . . 74 GLN N . 27198 1 294 . 1 1 74 74 ASN H H 1 9.029 0.000 . 1 . . . . . 75 ASN H . 27198 1 295 . 1 1 74 74 ASN N N 15 121.322 0.000 . 1 . . . . . 75 ASN N . 27198 1 296 . 1 1 75 75 ASN C C 13 176.912 0.000 . 1 . . . . . 76 ASN C . 27198 1 297 . 1 1 75 75 ASN CA C 13 56.347 0.000 . 1 . . . . . 76 ASN CA . 27198 1 298 . 1 1 75 75 ASN CB C 13 37.051 0.000 . 1 . . . . . 76 ASN CB . 27198 1 299 . 1 1 76 76 ALA H H 1 8.441 0.000 . 1 . . . . . 77 ALA H . 27198 1 300 . 1 1 76 76 ALA C C 13 181.309 0.000 . 1 . . . . . 77 ALA C . 27198 1 301 . 1 1 76 76 ALA CA C 13 55.728 0.100 . 1 . . . . . 77 ALA CA . 27198 1 302 . 1 1 76 76 ALA CB C 13 17.986 0.057 . 1 . . . . . 77 ALA CB . 27198 1 303 . 1 1 76 76 ALA N N 15 122.947 0.000 . 1 . . . . . 77 ALA N . 27198 1 304 . 1 1 77 77 GLU H H 1 8.462 0.000 . 1 . . . . . 78 GLU H . 27198 1 305 . 1 1 77 77 GLU C C 13 178.951 0.000 . 1 . . . . . 78 GLU C . 27198 1 306 . 1 1 77 77 GLU CA C 13 59.321 0.145 . 1 . . . . . 78 GLU CA . 27198 1 307 . 1 1 77 77 GLU CB C 13 29.916 0.202 . 1 . . . . . 78 GLU CB . 27198 1 308 . 1 1 77 77 GLU N N 15 121.151 0.000 . 1 . . . . . 78 GLU N . 27198 1 309 . 1 1 78 78 ALA H H 1 9.120 0.000 . 1 . . . . . 79 ALA H . 27198 1 310 . 1 1 78 78 ALA C C 13 179.928 0.000 . 1 . . . . . 79 ALA C . 27198 1 311 . 1 1 78 78 ALA CA C 13 55.239 0.000 . 1 . . . . . 79 ALA CA . 27198 1 312 . 1 1 78 78 ALA CB C 13 19.112 0.086 . 1 . . . . . 79 ALA CB . 27198 1 313 . 1 1 78 78 ALA N N 15 123.556 0.000 . 1 . . . . . 79 ALA N . 27198 1 314 . 1 1 79 79 MET H H 1 8.340 0.000 . 1 . . . . . 80 MET H . 27198 1 315 . 1 1 79 79 MET C C 13 179.078 0.000 . 1 . . . . . 80 MET C . 27198 1 316 . 1 1 79 79 MET CA C 13 58.397 0.028 . 1 . . . . . 80 MET CA . 27198 1 317 . 1 1 79 79 MET CB C 13 31.996 0.087 . 1 . . . . . 80 MET CB . 27198 1 318 . 1 1 79 79 MET N N 15 116.041 0.000 . 1 . . . . . 80 MET N . 27198 1 319 . 1 1 80 80 GLU H H 1 7.533 0.000 . 1 . . . . . 81 GLU H . 27198 1 320 . 1 1 80 80 GLU C C 13 178.611 0.000 . 1 . . . . . 81 GLU C . 27198 1 321 . 1 1 80 80 GLU CA C 13 59.004 0.173 . 1 . . . . . 81 GLU CA . 27198 1 322 . 1 1 80 80 GLU CB C 13 29.078 0.057 . 1 . . . . . 81 GLU CB . 27198 1 323 . 1 1 80 80 GLU N N 15 121.017 0.000 . 1 . . . . . 81 GLU N . 27198 1 324 . 1 1 81 81 THR H H 1 8.846 0.000 . 1 . . . . . 82 THR H . 27198 1 325 . 1 1 81 81 THR C C 13 176.444 0.000 . 1 . . . . . 82 THR C . 27198 1 326 . 1 1 81 81 THR CA C 13 66.775 0.028 . 1 . . . . . 82 THR CA . 27198 1 327 . 1 1 81 81 THR CB C 13 67.901 0.000 . 1 . . . . . 82 THR CB . 27198 1 328 . 1 1 81 81 THR N N 15 120.306 0.000 . 1 . . . . . 82 THR N . 27198 1 329 . 1 1 82 82 LEU H H 1 8.544 0.000 . 1 . . . . . 83 LEU H . 27198 1 330 . 1 1 82 82 LEU C C 13 177.188 0.000 . 1 . . . . . 83 LEU C . 27198 1 331 . 1 1 82 82 LEU CA C 13 59.148 0.144 . 1 . . . . . 83 LEU CA . 27198 1 332 . 1 1 82 82 LEU CB C 13 42.106 0.087 . 1 . . . . . 83 LEU CB . 27198 1 333 . 1 1 82 82 LEU N N 15 122.236 0.000 . 1 . . . . . 83 LEU N . 27198 1 334 . 1 1 83 83 ARG H H 1 7.821 0.000 . 1 . . . . . 84 ARG H . 27198 1 335 . 1 1 83 83 ARG C C 13 179.567 0.000 . 1 . . . . . 84 ARG C . 27198 1 336 . 1 1 83 83 ARG CA C 13 59.928 0.232 . 1 . . . . . 84 ARG CA . 27198 1 337 . 1 1 83 83 ARG CB C 13 30.552 0.202 . 1 . . . . . 84 ARG CB . 27198 1 338 . 1 1 83 83 ARG N N 15 117.869 0.000 . 1 . . . . . 84 ARG N . 27198 1 339 . 1 1 84 84 ARG H H 1 8.155 0.000 . 1 . . . . . 85 ARG H . 27198 1 340 . 1 1 84 84 ARG C C 13 178.639 0.000 . 1 . . . . . 85 ARG C . 27198 1 341 . 1 1 84 84 ARG CA C 13 59.403 0.052 . 1 . . . . . 85 ARG CA . 27198 1 342 . 1 1 84 84 ARG CB C 13 30.483 0.386 . 1 . . . . . 85 ARG CB . 27198 1 343 . 1 1 84 84 ARG N N 15 117.869 0.000 . 1 . . . . . 85 ARG N . 27198 1 344 . 1 1 85 85 ALA H H 1 8.484 0.000 . 1 . . . . . 86 ALA H . 27198 1 345 . 1 1 85 85 ALA C C 13 179.036 0.000 . 1 . . . . . 86 ALA C . 27198 1 346 . 1 1 85 85 ALA CA C 13 54.412 0.087 . 1 . . . . . 86 ALA CA . 27198 1 347 . 1 1 85 85 ALA CB C 13 19.348 0.091 . 1 . . . . . 86 ALA CB . 27198 1 348 . 1 1 85 85 ALA N N 15 121.557 0.000 . 1 . . . . . 86 ALA N . 27198 1 349 . 1 1 86 86 MET H H 1 7.735 0.000 . 1 . . . . . 87 MET H . 27198 1 350 . 1 1 86 86 MET C C 13 176.593 0.000 . 1 . . . . . 87 MET C . 27198 1 351 . 1 1 86 86 MET CA C 13 57.300 0.202 . 1 . . . . . 87 MET CA . 27198 1 352 . 1 1 86 86 MET CB C 13 33.296 0.173 . 1 . . . . . 87 MET CB . 27198 1 353 . 1 1 86 86 MET N N 15 113.908 0.000 . 1 . . . . . 87 MET N . 27198 1 354 . 1 1 87 87 VAL H H 1 7.320 0.000 . 1 . . . . . 88 VAL H . 27198 1 355 . 1 1 87 87 VAL C C 13 176.274 0.000 . 1 . . . . . 88 VAL C . 27198 1 356 . 1 1 87 87 VAL CA C 13 63.280 0.115 . 1 . . . . . 88 VAL CA . 27198 1 357 . 1 1 87 87 VAL CB C 13 33.209 0.202 . 1 . . . . . 88 VAL CB . 27198 1 358 . 1 1 87 87 VAL N N 15 114.924 0.000 . 1 . . . . . 88 VAL N . 27198 1 359 . 1 1 88 88 ASN H H 1 8.299 0.000 . 1 . . . . . 89 ASN H . 27198 1 360 . 1 1 88 88 ASN C C 13 174.851 0.000 . 1 . . . . . 89 ASN C . 27198 1 361 . 1 1 88 88 ASN CA C 13 53.805 0.231 . 1 . . . . . 89 ASN CA . 27198 1 362 . 1 1 88 88 ASN CB C 13 40.113 0.058 . 1 . . . . . 89 ASN CB . 27198 1 363 . 1 1 88 88 ASN N N 15 120.002 0.000 . 1 . . . . . 89 ASN N . 27198 1 364 . 1 1 89 89 THR H H 1 8.042 0.000 . 1 . . . . . 90 THR H . 27198 1 365 . 1 1 89 89 THR CA C 13 60.564 0.000 . 1 . . . . . 90 THR CA . 27198 1 366 . 1 1 89 89 THR CB C 13 70.674 0.000 . 1 . . . . . 90 THR CB . 27198 1 367 . 1 1 89 89 THR N N 15 117.463 0.000 . 1 . . . . . 90 THR N . 27198 1 368 . 1 1 90 90 PRO C C 13 177.570 0.000 . 1 . . . . . 91 PRO C . 27198 1 369 . 1 1 90 90 PRO CA C 13 63.684 0.000 . 1 . . . . . 91 PRO CA . 27198 1 370 . 1 1 90 90 PRO CB C 13 32.256 0.000 . 1 . . . . . 91 PRO CB . 27198 1 371 . 1 1 91 91 GLY H H 1 8.431 0.000 . 1 . . . . . 92 GLY H . 27198 1 372 . 1 1 91 91 GLY C C 13 174.150 0.000 . 1 . . . . . 92 GLY C . 27198 1 373 . 1 1 91 91 GLY CA C 13 45.195 0.128 . 1 . . . . . 92 GLY CA . 27198 1 374 . 1 1 91 91 GLY N N 15 109.236 0.000 . 1 . . . . . 92 GLY N . 27198 1 375 . 1 1 92 92 LYS H H 1 8.105 0.000 . 1 . . . . . 93 LYS H . 27198 1 376 . 1 1 92 92 LYS N N 15 120.338 0.000 . 1 . . . . . 93 LYS N . 27198 1 377 . 1 1 94 94 PRO C C 13 177.953 0.000 . 1 . . . . . 95 PRO C . 27198 1 378 . 1 1 94 94 PRO CA C 13 63.857 0.000 . 1 . . . . . 95 PRO CA . 27198 1 379 . 1 1 94 94 PRO CB C 13 32.198 0.000 . 1 . . . . . 95 PRO CB . 27198 1 380 . 1 1 95 95 GLY H H 1 9.058 0.000 . 1 . . . . . 96 GLY H . 27198 1 381 . 1 1 95 95 GLY C C 13 174.214 0.000 . 1 . . . . . 96 GLY C . 27198 1 382 . 1 1 95 95 GLY CA C 13 46.092 0.260 . 1 . . . . . 96 GLY CA . 27198 1 383 . 1 1 95 95 GLY N N 15 110.759 0.000 . 1 . . . . . 96 GLY N . 27198 1 384 . 1 1 96 96 THR H H 1 7.661 0.000 . 1 . . . . . 97 THR H . 27198 1 385 . 1 1 96 96 THR C C 13 173.832 0.000 . 1 . . . . . 97 THR C . 27198 1 386 . 1 1 96 96 THR CA C 13 60.796 0.115 . 1 . . . . . 97 THR CA . 27198 1 387 . 1 1 96 96 THR CB C 13 72.956 0.087 . 1 . . . . . 97 THR CB . 27198 1 388 . 1 1 96 96 THR N N 15 111.877 0.000 . 1 . . . . . 97 THR N . 27198 1 389 . 1 1 97 97 ILE H H 1 8.866 0.000 . 1 . . . . . 98 ILE H . 27198 1 390 . 1 1 97 97 ILE C C 13 174.872 0.000 . 1 . . . . . 98 ILE C . 27198 1 391 . 1 1 97 97 ILE CA C 13 58.022 1.964 . 1 . . . . . 98 ILE CA . 27198 1 392 . 1 1 97 97 ILE CB C 13 40.459 0.174 . 1 . . . . . 98 ILE CB . 27198 1 393 . 1 1 97 97 ILE N N 15 123.588 0.000 . 1 . . . . . 98 ILE N . 27198 1 394 . 1 1 98 98 THR H H 1 8.800 0.000 . 1 . . . . . 99 THR H . 27198 1 395 . 1 1 98 98 THR C C 13 174.278 0.000 . 1 . . . . . 99 THR C . 27198 1 396 . 1 1 98 98 THR CA C 13 62.499 0.087 . 1 . . . . . 99 THR CA . 27198 1 397 . 1 1 98 98 THR CB C 13 70.385 0.173 . 1 . . . . . 99 THR CB . 27198 1 398 . 1 1 98 98 THR N N 15 124.369 0.000 . 1 . . . . . 99 THR N . 27198 1 399 . 1 1 99 99 LEU H H 1 9.365 0.000 . 1 . . . . . 100 LEU H . 27198 1 400 . 1 1 99 99 LEU C C 13 174.405 0.000 . 1 . . . . . 100 LEU C . 27198 1 401 . 1 1 99 99 LEU CA C 13 53.170 0.115 . 1 . . . . . 100 LEU CA . 27198 1 402 . 1 1 99 99 LEU CB C 13 46.250 0.103 . 1 . . . . . 100 LEU CB . 27198 1 403 . 1 1 99 99 LEU N N 15 128.736 0.000 . 1 . . . . . 100 LEU N . 27198 1 404 . 1 1 100 100 LEU H H 1 8.157 0.000 . 1 . . . . . 101 LEU H . 27198 1 405 . 1 1 100 100 LEU C C 13 176.104 0.000 . 1 . . . . . 101 LEU C . 27198 1 406 . 1 1 100 100 LEU CA C 13 54.614 0.115 . 1 . . . . . 101 LEU CA . 27198 1 407 . 1 1 100 100 LEU CB C 13 44.388 0.173 . 1 . . . . . 101 LEU CB . 27198 1 408 . 1 1 100 100 LEU N N 15 125.384 0.000 . 1 . . . . . 101 LEU N . 27198 1 409 . 1 1 101 101 VAL H H 1 9.327 0.000 . 1 . . . . . 102 VAL H . 27198 1 410 . 1 1 101 101 VAL C C 13 174.341 0.000 . 1 . . . . . 102 VAL C . 27198 1 411 . 1 1 101 101 VAL CA C 13 58.715 0.057 . 1 . . . . . 102 VAL CA . 27198 1 412 . 1 1 101 101 VAL CB C 13 35.693 0.087 . 1 . . . . . 102 VAL CB . 27198 1 413 . 1 1 101 101 VAL N N 15 122.134 0.000 . 1 . . . . . 102 VAL N . 27198 1 414 . 1 1 102 102 GLY H H 1 9.407 0.000 . 1 . . . . . 103 GLY H . 27198 1 415 . 1 1 102 102 GLY C C 13 172.536 0.000 . 1 . . . . . 103 GLY C . 27198 1 416 . 1 1 102 102 GLY CA C 13 44.301 0.144 . 1 . . . . . 103 GLY CA . 27198 1 417 . 1 1 102 102 GLY N N 15 108.728 0.000 . 1 . . . . . 103 GLY N . 27198 1 418 . 1 1 103 103 ARG H H 1 9.151 0.000 . 1 . . . . . 104 ARG H . 27198 1 419 . 1 1 103 103 ARG C C 13 174.490 0.000 . 1 . . . . . 104 ARG C . 27198 1 420 . 1 1 103 103 ARG CA C 13 55.307 0.115 . 1 . . . . . 104 ARG CA . 27198 1 421 . 1 1 103 103 ARG CB C 13 34.855 0.115 . 1 . . . . . 104 ARG CB . 27198 1 422 . 1 1 103 103 ARG N N 15 127.111 0.000 . 1 . . . . . 104 ARG N . 27198 1 423 . 1 1 104 104 LYS H H 1 8.740 0.000 . 1 . . . . . 105 LYS H . 27198 1 424 . 1 1 104 104 LYS C C 13 176.168 0.000 . 1 . . . . . 105 LYS C . 27198 1 425 . 1 1 104 104 LYS CA C 13 57.097 0.057 . 1 . . . . . 105 LYS CA . 27198 1 426 . 1 1 104 104 LYS CB C 13 33.440 0.087 . 1 . . . . . 105 LYS CB . 27198 1 427 . 1 1 104 104 LYS N N 15 126.502 0.000 . 1 . . . . . 105 LYS N . 27198 1 428 . 1 1 105 105 ILE H H 1 8.428 0.000 . 1 . . . . . 106 ILE H . 27198 1 429 . 1 1 105 105 ILE C C 13 175.403 0.000 . 1 . . . . . 106 ILE C . 27198 1 430 . 1 1 105 105 ILE CA C 13 53.709 10.023 . 1 . . . . . 106 ILE CA . 27198 1 431 . 1 1 105 105 ILE CB C 13 39.651 0.000 . 1 . . . . . 106 ILE CB . 27198 1 432 . 1 1 105 105 ILE N N 15 125.080 0.000 . 1 . . . . . 106 ILE N . 27198 1 433 . 1 1 106 106 LEU H H 1 8.527 0.000 . 1 . . . . . 107 LEU H . 27198 1 434 . 1 1 106 106 LEU C C 13 176.636 0.000 . 1 . . . . . 107 LEU C . 27198 1 435 . 1 1 106 106 LEU CA C 13 55.104 0.028 . 1 . . . . . 107 LEU CA . 27198 1 436 . 1 1 106 106 LEU CB C 13 42.626 0.029 . 1 . . . . . 107 LEU CB . 27198 1 437 . 1 1 106 106 LEU N N 15 128.025 0.000 . 1 . . . . . 107 LEU N . 27198 1 438 . 1 1 107 107 ARG H H 1 8.486 0.000 . 1 . . . . . 108 ARG H . 27198 1 439 . 1 1 107 107 ARG C C 13 175.085 0.000 . 1 . . . . . 108 ARG C . 27198 1 440 . 1 1 107 107 ARG CA C 13 55.913 0.203 . 1 . . . . . 108 ARG CA . 27198 1 441 . 1 1 107 107 ARG CB C 13 31.332 0.057 . 1 . . . . . 108 ARG CB . 27198 1 442 . 1 1 107 107 ARG N N 15 123.963 0.000 . 1 . . . . . 108 ARG N . 27198 1 443 . 1 1 108 108 SER H H 1 7.977 0.000 . 1 . . . . . 109 SER H . 27198 1 444 . 1 1 108 108 SER CA C 13 60.275 0.000 . 1 . . . . . 109 SER CA . 27198 1 445 . 1 1 108 108 SER CB C 13 65.186 0.000 . 1 . . . . . 109 SER CB . 27198 1 446 . 1 1 108 108 SER N N 15 122.744 0.000 . 1 . . . . . 109 SER N . 27198 1 stop_ save_