################################### # 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 18108 _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 13C-13C DARR 25 ms' . . . 18108 1 2 '2D 13C-13C DARR 50 ms' . . . 18108 1 3 '2D 13C-13C DARR 100 ms' . . . 18108 1 4 '2D 13C-13C DARR-CP- 15 ms' . . . 18108 1 5 '2D 13C-13C DARR-CP- 40 ms' . . . 18108 1 6 '2D 13C-13C DARR-CP- 70 ms' . . . 18108 1 7 '2D 13C-13C PDSD 15 ms' . . . 18108 1 8 '2D 13C-13C PDSD 100 ms' . . . 18108 1 9 '2D 1H-13C INEPT' . . . 18108 1 10 '2D 13C-13C DREAM 1.5 ms' . . . 18108 1 11 '2D 13C-13C DREAM AB' . . . 18108 1 12 '2D 13C-13C DREAM BG' . . . 18108 1 13 '2D 13C-13C Me-only 70 ms' . . . 18108 1 14 '2D 13C-13C REDOR 1 ms' . . . 18108 1 15 '2D 15N-13C NCA' . . . 18108 1 16 '2D 15N-13C NCO' . . . 18108 1 17 '2D NCACX' . . . 18108 1 18 '2D NCOCX' . . . 18108 1 19 '3D NCACX 25 ms' . . . 18108 1 20 '3D NCOCX 25 ms' . . . 18108 1 21 '3D NCACX 100 ms' . . . 18108 1 22 '3D NCACX 200 ms' . . . 18108 1 23 '3D NCOCX 200 ms' . . . 18108 1 24 '3D NCACX 500 ms' . . . 18108 1 25 '3D NCACB 3 ms' . . . 18108 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 12 12 GLU CA C 13 57.822 0.130 . 1 . . . . 12 GLU CA . 18108 1 2 . 1 1 12 12 GLU CB C 13 31.715 0.073 . 1 . . . . 12 GLU CB . 18108 1 3 . 1 1 13 13 LYS C C 13 174.127 0.087 . 1 . . . . 13 LYS C . 18108 1 4 . 1 1 13 13 LYS CA C 13 57.992 0.164 . 1 . . . . 13 LYS CA . 18108 1 5 . 1 1 13 13 LYS CB C 13 35.934 0.129 . 1 . . . . 13 LYS CB . 18108 1 6 . 1 1 13 13 LYS CG C 13 21.302 0.166 . 1 . . . . 13 LYS CG . 18108 1 7 . 1 1 13 13 LYS N N 15 113.745 0.259 . 1 . . . . 13 LYS N . 18108 1 8 . 1 1 14 14 GLY C C 13 171.137 0.135 . 1 . . . . 14 GLY C . 18108 1 9 . 1 1 14 14 GLY CA C 13 43.330 0.187 . 1 . . . . 14 GLY CA . 18108 1 10 . 1 1 14 14 GLY N N 15 108.902 0.266 . 1 . . . . 14 GLY N . 18108 1 11 . 1 1 15 15 ALA CA C 13 53.989 0.185 . 1 . . . . 15 ALA CA . 18108 1 12 . 1 1 16 16 HIS CA C 13 60.963 0.169 . 1 . . . . 16 HIS CA . 18108 1 13 . 1 1 16 16 HIS CB C 13 30.268 0.102 . 1 . . . . 16 HIS CB . 18108 1 14 . 1 1 17 17 LYS C C 13 179.705 0.000 . 1 . . . . 17 LYS C . 18108 1 15 . 1 1 17 17 LYS CA C 13 60.302 0.164 . 1 . . . . 17 LYS CA . 18108 1 16 . 1 1 17 17 LYS CB C 13 33.465 0.177 . 1 . . . . 17 LYS CB . 18108 1 17 . 1 1 17 17 LYS CD C 13 30.005 0.170 . 1 . . . . 17 LYS CD . 18108 1 18 . 1 1 17 17 LYS CE C 13 43.020 0.110 . 1 . . . . 17 LYS CE . 18108 1 19 . 1 1 18 18 PHE C C 13 179.180 0.120 . 1 . . . . 18 PHE C . 18108 1 20 . 1 1 18 18 PHE CA C 13 58.116 0.142 . 1 . . . . 18 PHE CA . 18108 1 21 . 1 1 18 18 PHE CB C 13 39.401 0.141 . 1 . . . . 18 PHE CB . 18108 1 22 . 1 1 18 18 PHE CD1 C 13 129.225 0.934 . 3 . . . . 18 PHE CD1 . 18108 1 23 . 1 1 18 18 PHE CD2 C 13 129.225 0.934 . 3 . . . . 18 PHE CD2 . 18108 1 24 . 1 1 18 18 PHE N N 15 108.978 0.161 . 1 . . . . 18 PHE N . 18108 1 25 . 1 1 19 19 ARG C C 13 179.504 0.079 . 1 . . . . 19 ARG C . 18108 1 26 . 1 1 19 19 ARG CA C 13 59.318 0.083 . 1 . . . . 19 ARG CA . 18108 1 27 . 1 1 19 19 ARG CB C 13 30.122 0.179 . 1 . . . . 19 ARG CB . 18108 1 28 . 1 1 19 19 ARG CG C 13 27.460 0.097 . 1 . . . . 19 ARG CG . 18108 1 29 . 1 1 19 19 ARG CD C 13 42.859 0.098 . 1 . . . . 19 ARG CD . 18108 1 30 . 1 1 19 19 ARG N N 15 117.921 0.000 . 1 . . . . 19 ARG N . 18108 1 31 . 1 1 20 20 GLN C C 13 178.061 0.142 . 1 . . . . 20 GLN C . 18108 1 32 . 1 1 20 20 GLN CA C 13 59.085 0.146 . 1 . . . . 20 GLN CA . 18108 1 33 . 1 1 20 20 GLN CB C 13 28.478 0.095 . 1 . . . . 20 GLN CB . 18108 1 34 . 1 1 20 20 GLN CG C 13 33.950 0.128 . 1 . . . . 20 GLN CG . 18108 1 35 . 1 1 20 20 GLN CD C 13 179.695 0.122 . 1 . . . . 20 GLN CD . 18108 1 36 . 1 1 20 20 GLN N N 15 119.128 0.234 . 1 . . . . 20 GLN N . 18108 1 37 . 1 1 21 21 LEU C C 13 179.955 0.000 . 1 . . . . 21 LEU C . 18108 1 38 . 1 1 21 21 LEU CA C 13 58.003 0.090 . 1 . . . . 21 LEU CA . 18108 1 39 . 1 1 21 21 LEU CB C 13 40.332 0.138 . 1 . . . . 21 LEU CB . 18108 1 40 . 1 1 21 21 LEU CG C 13 27.606 0.110 . 1 . . . . 21 LEU CG . 18108 1 41 . 1 1 21 21 LEU CD1 C 13 22.021 0.102 . 1 . . . . 21 LEU CD1 . 18108 1 42 . 1 1 21 21 LEU CD2 C 13 22.021 0.102 . 1 . . . . 21 LEU CD2 . 18108 1 43 . 1 1 21 21 LEU N N 15 120.081 0.249 . 1 . . . . 21 LEU N . 18108 1 44 . 1 1 22 22 ASP C C 13 178.785 0.043 . 1 . . . . 22 ASP C . 18108 1 45 . 1 1 22 22 ASP CA C 13 57.752 0.037 . 1 . . . . 22 ASP CA . 18108 1 46 . 1 1 22 22 ASP CB C 13 40.044 0.125 . 1 . . . . 22 ASP CB . 18108 1 47 . 1 1 23 23 ASN C C 13 177.627 0.083 . 1 . . . . 23 ASN C . 18108 1 48 . 1 1 23 23 ASN CA C 13 56.363 0.190 . 1 . . . . 23 ASN CA . 18108 1 49 . 1 1 23 23 ASN CB C 13 38.968 0.197 . 1 . . . . 23 ASN CB . 18108 1 50 . 1 1 23 23 ASN CG C 13 177.813 0.125 . 1 . . . . 23 ASN CG . 18108 1 51 . 1 1 23 23 ASN N N 15 116.418 0.264 . 1 . . . . 23 ASN N . 18108 1 52 . 1 1 24 24 ARG C C 13 180.076 0.115 . 1 . . . . 24 ARG C . 18108 1 53 . 1 1 24 24 ARG CA C 13 60.340 0.124 . 1 . . . . 24 ARG CA . 18108 1 54 . 1 1 24 24 ARG CB C 13 30.825 0.277 . 1 . . . . 24 ARG CB . 18108 1 55 . 1 1 24 24 ARG CG C 13 28.028 0.114 . 1 . . . . 24 ARG CG . 18108 1 56 . 1 1 24 24 ARG CD C 13 44.088 0.117 . 1 . . . . 24 ARG CD . 18108 1 57 . 1 1 24 24 ARG CZ C 13 160.095 0.329 . 1 . . . . 24 ARG CZ . 18108 1 58 . 1 1 24 24 ARG N N 15 120.710 0.157 . 1 . . . . 24 ARG N . 18108 1 59 . 1 1 25 25 LEU C C 13 178.976 0.124 . 1 . . . . 25 LEU C . 18108 1 60 . 1 1 25 25 LEU CA C 13 58.685 0.162 . 1 . . . . 25 LEU CA . 18108 1 61 . 1 1 25 25 LEU CB C 13 42.709 0.172 . 1 . . . . 25 LEU CB . 18108 1 62 . 1 1 25 25 LEU CG C 13 27.562 0.166 . 1 . . . . 25 LEU CG . 18108 1 63 . 1 1 25 25 LEU CD1 C 13 23.929 0.148 . 2 . . . . 25 LEU CD1 . 18108 1 64 . 1 1 25 25 LEU CD2 C 13 24.349 0.083 . 2 . . . . 25 LEU CD2 . 18108 1 65 . 1 1 25 25 LEU N N 15 122.295 0.096 . 1 . . . . 25 LEU N . 18108 1 66 . 1 1 26 26 ASP CA C 13 57.917 0.035 . 1 . . . . 26 ASP CA . 18108 1 67 . 1 1 26 26 ASP CB C 13 40.117 0.145 . 1 . . . . 26 ASP CB . 18108 1 68 . 1 1 26 26 ASP CG C 13 179.620 0.059 . 1 . . . . 26 ASP CG . 18108 1 69 . 1 1 26 26 ASP N N 15 118.875 0.000 . 1 . . . . 26 ASP N . 18108 1 70 . 1 1 27 27 LYS C C 13 180.033 0.088 . 1 . . . . 27 LYS C . 18108 1 71 . 1 1 27 27 LYS CA C 13 59.320 0.121 . 1 . . . . 27 LYS CA . 18108 1 72 . 1 1 27 27 LYS CB C 13 32.575 0.168 . 1 . . . . 27 LYS CB . 18108 1 73 . 1 1 27 27 LYS CG C 13 26.005 0.157 . 1 . . . . 27 LYS CG . 18108 1 74 . 1 1 27 27 LYS CD C 13 29.258 0.143 . 1 . . . . 27 LYS CD . 18108 1 75 . 1 1 27 27 LYS CE C 13 41.717 0.058 . 1 . . . . 27 LYS CE . 18108 1 76 . 1 1 27 27 LYS N N 15 118.147 0.265 . 1 . . . . 27 LYS N . 18108 1 77 . 1 1 28 28 LEU C C 13 177.673 0.135 . 1 . . . . 28 LEU C . 18108 1 78 . 1 1 28 28 LEU CA C 13 58.115 0.096 . 1 . . . . 28 LEU CA . 18108 1 79 . 1 1 28 28 LEU CB C 13 41.928 0.186 . 1 . . . . 28 LEU CB . 18108 1 80 . 1 1 28 28 LEU CG C 13 27.751 0.170 . 1 . . . . 28 LEU CG . 18108 1 81 . 1 1 28 28 LEU CD1 C 13 26.298 0.238 . 2 . . . . 28 LEU CD1 . 18108 1 82 . 1 1 28 28 LEU CD2 C 13 23.634 0.090 . 2 . . . . 28 LEU CD2 . 18108 1 83 . 1 1 28 28 LEU N N 15 124.181 0.435 . 1 . . . . 28 LEU N . 18108 1 84 . 1 1 29 29 ASP C C 13 178.391 0.109 . 1 . . . . 29 ASP C . 18108 1 85 . 1 1 29 29 ASP CA C 13 58.059 0.133 . 1 . . . . 29 ASP CA . 18108 1 86 . 1 1 29 29 ASP CB C 13 41.753 0.133 . 1 . . . . 29 ASP CB . 18108 1 87 . 1 1 29 29 ASP CG C 13 179.841 0.075 . 1 . . . . 29 ASP CG . 18108 1 88 . 1 1 29 29 ASP N N 15 119.924 0.128 . 1 . . . . 29 ASP N . 18108 1 89 . 1 1 30 30 THR C C 13 175.685 0.150 . 1 . . . . 30 THR C . 18108 1 90 . 1 1 30 30 THR CA C 13 66.164 0.112 . 1 . . . . 30 THR CA . 18108 1 91 . 1 1 30 30 THR CB C 13 69.323 0.141 . 1 . . . . 30 THR CB . 18108 1 92 . 1 1 30 30 THR CG2 C 13 22.280 0.149 . 1 . . . . 30 THR CG2 . 18108 1 93 . 1 1 30 30 THR N N 15 111.572 0.378 . 1 . . . . 30 THR N . 18108 1 94 . 1 1 31 31 ARG C C 13 180.356 0.216 . 1 . . . . 31 ARG C . 18108 1 95 . 1 1 31 31 ARG CA C 13 60.247 0.147 . 1 . . . . 31 ARG CA . 18108 1 96 . 1 1 31 31 ARG CB C 13 31.494 0.189 . 1 . . . . 31 ARG CB . 18108 1 97 . 1 1 31 31 ARG CG C 13 28.251 0.141 . 1 . . . . 31 ARG CG . 18108 1 98 . 1 1 31 31 ARG CD C 13 45.028 0.137 . 1 . . . . 31 ARG CD . 18108 1 99 . 1 1 31 31 ARG CZ C 13 160.644 0.129 . 1 . . . . 31 ARG CZ . 18108 1 100 . 1 1 31 31 ARG N N 15 122.904 0.165 . 1 . . . . 31 ARG N . 18108 1 101 . 1 1 32 32 VAL C C 13 176.964 0.146 . 1 . . . . 32 VAL C . 18108 1 102 . 1 1 32 32 VAL CA C 13 67.431 0.134 . 1 . . . . 32 VAL CA . 18108 1 103 . 1 1 32 32 VAL CB C 13 31.908 0.140 . 1 . . . . 32 VAL CB . 18108 1 104 . 1 1 32 32 VAL CG1 C 13 25.068 0.127 . 2 . . . . 32 VAL CG1 . 18108 1 105 . 1 1 32 32 VAL CG2 C 13 21.900 0.144 . 2 . . . . 32 VAL CG2 . 18108 1 106 . 1 1 32 32 VAL N N 15 120.963 0.208 . 1 . . . . 32 VAL N . 18108 1 107 . 1 1 33 33 ASP C C 13 179.126 0.114 . 1 . . . . 33 ASP C . 18108 1 108 . 1 1 33 33 ASP CA C 13 58.265 0.132 . 1 . . . . 33 ASP CA . 18108 1 109 . 1 1 33 33 ASP CB C 13 39.578 0.228 . 1 . . . . 33 ASP CB . 18108 1 110 . 1 1 33 33 ASP CG C 13 178.801 0.101 . 1 . . . . 33 ASP CG . 18108 1 111 . 1 1 33 33 ASP N N 15 121.623 0.066 . 1 . . . . 33 ASP N . 18108 1 112 . 1 1 34 34 LYS C C 13 179.651 0.099 . 1 . . . . 34 LYS C . 18108 1 113 . 1 1 34 34 LYS CA C 13 60.706 0.177 . 1 . . . . 34 LYS CA . 18108 1 114 . 1 1 34 34 LYS CB C 13 33.595 0.222 . 1 . . . . 34 LYS CB . 18108 1 115 . 1 1 34 34 LYS CG C 13 22.124 0.074 . 1 . . . . 34 LYS CG . 18108 1 116 . 1 1 34 34 LYS CD C 13 27.367 0.135 . 1 . . . . 34 LYS CD . 18108 1 117 . 1 1 34 34 LYS CE C 13 42.600 0.105 . 1 . . . . 34 LYS CE . 18108 1 118 . 1 1 34 34 LYS N N 15 117.470 0.193 . 1 . . . . 34 LYS N . 18108 1 119 . 1 1 35 35 GLY C C 13 175.566 0.147 . 1 . . . . 35 GLY C . 18108 1 120 . 1 1 35 35 GLY CA C 13 47.167 0.165 . 1 . . . . 35 GLY CA . 18108 1 121 . 1 1 35 35 GLY N N 15 110.251 0.348 . 1 . . . . 35 GLY N . 18108 1 122 . 1 1 36 36 LEU C C 13 178.629 0.120 . 1 . . . . 36 LEU C . 18108 1 123 . 1 1 36 36 LEU CA C 13 57.362 0.126 . 1 . . . . 36 LEU CA . 18108 1 124 . 1 1 36 36 LEU CB C 13 41.639 0.127 . 1 . . . . 36 LEU CB . 18108 1 125 . 1 1 36 36 LEU CG C 13 27.024 0.171 . 1 . . . . 36 LEU CG . 18108 1 126 . 1 1 36 36 LEU CD1 C 13 22.146 0.110 . 1 . . . . 36 LEU CD1 . 18108 1 127 . 1 1 36 36 LEU CD2 C 13 22.146 0.110 . 1 . . . . 36 LEU CD2 . 18108 1 128 . 1 1 36 36 LEU N N 15 123.569 0.169 . 1 . . . . 36 LEU N . 18108 1 129 . 1 1 37 37 ALA CA C 13 52.883 0.149 . 1 . . . . 37 ALA CA . 18108 1 130 . 1 1 37 37 ALA N N 15 114.711 0.062 . 1 . . . . 37 ALA N . 18108 1 131 . 1 1 38 38 SER C C 13 172.870 0.069 . 1 . . . . 38 SER C . 18108 1 132 . 1 1 38 38 SER CA C 13 58.563 0.186 . 1 . . . . 38 SER CA . 18108 1 133 . 1 1 38 38 SER CB C 13 66.233 0.114 . 1 . . . . 38 SER CB . 18108 1 134 . 1 1 38 38 SER N N 15 117.172 0.159 . 1 . . . . 38 SER N . 18108 1 135 . 1 1 39 39 SER C C 13 178.700 0.076 . 1 . . . . 39 SER C . 18108 1 136 . 1 1 39 39 SER CA C 13 57.961 0.080 . 1 . . . . 39 SER CA . 18108 1 137 . 1 1 39 39 SER CB C 13 63.454 0.087 . 1 . . . . 39 SER CB . 18108 1 138 . 1 1 39 39 SER N N 15 119.337 0.149 . 1 . . . . 39 SER N . 18108 1 139 . 1 1 40 40 ALA C C 13 180.308 0.112 . 1 . . . . 40 ALA C . 18108 1 140 . 1 1 40 40 ALA CA C 13 54.333 0.136 . 1 . . . . 40 ALA CA . 18108 1 141 . 1 1 40 40 ALA CB C 13 18.587 0.169 . 1 . . . . 40 ALA CB . 18108 1 142 . 1 1 40 40 ALA N N 15 118.857 0.206 . 1 . . . . 40 ALA N . 18108 1 143 . 1 1 41 41 ALA C C 13 179.083 0.149 . 1 . . . . 41 ALA C . 18108 1 144 . 1 1 41 41 ALA CA C 13 55.869 0.132 . 1 . . . . 41 ALA CA . 18108 1 145 . 1 1 41 41 ALA CB C 13 17.423 0.183 . 1 . . . . 41 ALA CB . 18108 1 146 . 1 1 41 41 ALA N N 15 122.815 0.204 . 1 . . . . 41 ALA N . 18108 1 147 . 1 1 42 42 LEU C C 13 175.204 0.137 . 1 . . . . 42 LEU C . 18108 1 148 . 1 1 42 42 LEU CA C 13 62.908 0.196 . 1 . . . . 42 LEU CA . 18108 1 149 . 1 1 42 42 LEU CB C 13 40.222 0.091 . 1 . . . . 42 LEU CB . 18108 1 150 . 1 1 42 42 LEU CG C 13 26.891 0.164 . 1 . . . . 42 LEU CG . 18108 1 151 . 1 1 42 42 LEU CD1 C 13 22.155 0.108 . 2 . . . . 42 LEU CD1 . 18108 1 152 . 1 1 42 42 LEU CD2 C 13 21.241 0.191 . 2 . . . . 42 LEU CD2 . 18108 1 153 . 1 1 42 42 LEU N N 15 114.992 0.234 . 1 . . . . 42 LEU N . 18108 1 154 . 1 1 43 43 ASN C C 13 176.028 0.094 . 1 . . . . 43 ASN C . 18108 1 155 . 1 1 43 43 ASN CA C 13 53.591 0.286 . 1 . . . . 43 ASN CA . 18108 1 156 . 1 1 43 43 ASN CB C 13 37.975 0.188 . 1 . . . . 43 ASN CB . 18108 1 157 . 1 1 43 43 ASN CG C 13 178.870 0.109 . 1 . . . . 43 ASN CG . 18108 1 158 . 1 1 43 43 ASN N N 15 117.114 0.040 . 1 . . . . 43 ASN N . 18108 1 159 . 1 1 44 44 SER C C 13 175.324 0.148 . 1 . . . . 44 SER C . 18108 1 160 . 1 1 44 44 SER CA C 13 60.067 0.181 . 1 . . . . 44 SER CA . 18108 1 161 . 1 1 44 44 SER CB C 13 63.282 0.145 . 1 . . . . 44 SER CB . 18108 1 162 . 1 1 44 44 SER N N 15 116.329 0.067 . 1 . . . . 44 SER N . 18108 1 163 . 1 1 45 45 LEU C C 13 178.141 0.149 . 1 . . . . 45 LEU C . 18108 1 164 . 1 1 45 45 LEU CA C 13 55.372 0.105 . 1 . . . . 45 LEU CA . 18108 1 165 . 1 1 45 45 LEU CB C 13 40.349 0.146 . 1 . . . . 45 LEU CB . 18108 1 166 . 1 1 45 45 LEU CG C 13 25.473 0.165 . 1 . . . . 45 LEU CG . 18108 1 167 . 1 1 45 45 LEU CD1 C 13 19.883 0.082 . 2 . . . . 45 LEU CD1 . 18108 1 168 . 1 1 45 45 LEU CD2 C 13 26.816 0.105 . 2 . . . . 45 LEU CD2 . 18108 1 169 . 1 1 45 45 LEU N N 15 120.506 0.216 . 1 . . . . 45 LEU N . 18108 1 170 . 1 1 46 46 PHE C C 13 177.816 0.054 . 1 . . . . 46 PHE C . 18108 1 171 . 1 1 46 46 PHE CA C 13 57.621 0.141 . 1 . . . . 46 PHE CA . 18108 1 172 . 1 1 46 46 PHE CB C 13 40.155 0.106 . 1 . . . . 46 PHE CB . 18108 1 173 . 1 1 46 46 PHE CD1 C 13 133.761 0.000 . 3 . . . . 46 PHE CD1 . 18108 1 174 . 1 1 46 46 PHE CD2 C 13 133.761 0.000 . 3 . . . . 46 PHE CD2 . 18108 1 175 . 1 1 46 46 PHE N N 15 123.530 0.102 . 1 . . . . 46 PHE N . 18108 1 176 . 1 1 47 47 GLN C C 13 171.909 0.089 . 1 . . . . 47 GLN C . 18108 1 177 . 1 1 47 47 GLN CA C 13 51.369 0.205 . 1 . . . . 47 GLN CA . 18108 1 178 . 1 1 47 47 GLN CB C 13 28.787 0.210 . 1 . . . . 47 GLN CB . 18108 1 179 . 1 1 47 47 GLN CG C 13 32.230 0.227 . 1 . . . . 47 GLN CG . 18108 1 180 . 1 1 47 47 GLN CD C 13 179.223 0.092 . 1 . . . . 47 GLN CD . 18108 1 181 . 1 1 47 47 GLN N N 15 119.169 0.109 . 1 . . . . 47 GLN N . 18108 1 182 . 1 1 48 48 PRO C C 13 177.731 0.128 . 1 . . . . 48 PRO C . 18108 1 183 . 1 1 48 48 PRO CA C 13 61.780 0.205 . 1 . . . . 48 PRO CA . 18108 1 184 . 1 1 48 48 PRO CB C 13 31.899 0.155 . 1 . . . . 48 PRO CB . 18108 1 185 . 1 1 48 48 PRO CG C 13 27.241 0.158 . 1 . . . . 48 PRO CG . 18108 1 186 . 1 1 48 48 PRO CD C 13 49.023 0.134 . 1 . . . . 48 PRO CD . 18108 1 187 . 1 1 48 48 PRO N N 15 132.351 0.167 . 1 . . . . 48 PRO N . 18108 1 188 . 1 1 49 49 TYR C C 13 180.039 0.107 . 1 . . . . 49 TYR C . 18108 1 189 . 1 1 49 49 TYR CA C 13 62.449 0.168 . 1 . . . . 49 TYR CA . 18108 1 190 . 1 1 49 49 TYR CB C 13 40.378 0.162 . 1 . . . . 49 TYR CB . 18108 1 191 . 1 1 49 49 TYR CD1 C 13 134.981 0.107 . 3 . . . . 49 TYR CD1 . 18108 1 192 . 1 1 49 49 TYR CD2 C 13 134.981 0.107 . 3 . . . . 49 TYR CD2 . 18108 1 193 . 1 1 49 49 TYR CE1 C 13 117.207 0.111 . 3 . . . . 49 TYR CE1 . 18108 1 194 . 1 1 49 49 TYR CE2 C 13 117.207 0.111 . 3 . . . . 49 TYR CE2 . 18108 1 195 . 1 1 49 49 TYR CZ C 13 158.617 0.115 . 1 . . . . 49 TYR CZ . 18108 1 196 . 1 1 49 49 TYR N N 15 123.959 0.188 . 1 . . . . 49 TYR N . 18108 1 197 . 1 1 50 50 GLY C C 13 173.914 0.087 . 1 . . . . 50 GLY C . 18108 1 198 . 1 1 50 50 GLY CA C 13 45.406 0.109 . 1 . . . . 50 GLY CA . 18108 1 199 . 1 1 50 50 GLY N N 15 111.405 0.231 . 1 . . . . 50 GLY N . 18108 1 200 . 1 1 51 51 VAL C C 13 177.397 0.135 . 1 . . . . 51 VAL C . 18108 1 201 . 1 1 51 51 VAL CA C 13 64.432 0.180 . 1 . . . . 51 VAL CA . 18108 1 202 . 1 1 51 51 VAL CB C 13 31.293 0.137 . 1 . . . . 51 VAL CB . 18108 1 203 . 1 1 51 51 VAL CG1 C 13 21.450 0.135 . 1 . . . . 51 VAL CG1 . 18108 1 204 . 1 1 51 51 VAL CG2 C 13 21.450 0.135 . 1 . . . . 51 VAL CG2 . 18108 1 205 . 1 1 51 51 VAL N N 15 124.824 0.362 . 1 . . . . 51 VAL N . 18108 1 206 . 1 1 52 52 GLY C C 13 174.080 0.062 . 1 . . . . 52 GLY C . 18108 1 207 . 1 1 52 52 GLY CA C 13 46.616 0.135 . 1 . . . . 52 GLY CA . 18108 1 208 . 1 1 52 52 GLY N N 15 116.382 0.227 . 1 . . . . 52 GLY N . 18108 1 209 . 1 1 53 53 LYS C C 13 175.614 0.109 . 1 . . . . 53 LYS C . 18108 1 210 . 1 1 53 53 LYS CA C 13 54.268 0.120 . 1 . . . . 53 LYS CA . 18108 1 211 . 1 1 53 53 LYS CB C 13 34.349 0.193 . 1 . . . . 53 LYS CB . 18108 1 212 . 1 1 53 53 LYS CG C 13 24.635 0.159 . 1 . . . . 53 LYS CG . 18108 1 213 . 1 1 53 53 LYS CD C 13 29.043 0.132 . 1 . . . . 53 LYS CD . 18108 1 214 . 1 1 53 53 LYS CE C 13 42.461 0.121 . 1 . . . . 53 LYS CE . 18108 1 215 . 1 1 53 53 LYS N N 15 117.662 0.220 . 1 . . . . 53 LYS N . 18108 1 216 . 1 1 54 54 VAL C C 13 172.675 0.202 . 1 . . . . 54 VAL C . 18108 1 217 . 1 1 54 54 VAL CA C 13 59.811 0.149 . 1 . . . . 54 VAL CA . 18108 1 218 . 1 1 54 54 VAL CB C 13 36.387 0.210 . 1 . . . . 54 VAL CB . 18108 1 219 . 1 1 54 54 VAL CG1 C 13 21.434 0.104 . 1 . . . . 54 VAL CG1 . 18108 1 220 . 1 1 54 54 VAL CG2 C 13 21.434 0.104 . 1 . . . . 54 VAL CG2 . 18108 1 221 . 1 1 54 54 VAL N N 15 114.223 0.164 . 1 . . . . 54 VAL N . 18108 1 222 . 1 1 55 55 ASN C C 13 173.427 0.074 . 1 . . . . 55 ASN C . 18108 1 223 . 1 1 55 55 ASN CA C 13 53.233 0.264 . 1 . . . . 55 ASN CA . 18108 1 224 . 1 1 55 55 ASN CB C 13 44.404 0.130 . 1 . . . . 55 ASN CB . 18108 1 225 . 1 1 55 55 ASN N N 15 121.577 0.017 . 1 . . . . 55 ASN N . 18108 1 226 . 1 1 56 56 PHE C C 13 171.666 0.169 . 1 . . . . 56 PHE C . 18108 1 227 . 1 1 56 56 PHE CA C 13 58.601 0.188 . 1 . . . . 56 PHE CA . 18108 1 228 . 1 1 56 56 PHE CB C 13 42.938 0.168 . 1 . . . . 56 PHE CB . 18108 1 229 . 1 1 56 56 PHE CG C 13 139.867 0.187 . 1 . . . . 56 PHE CG . 18108 1 230 . 1 1 56 56 PHE CD1 C 13 131.984 0.063 . 3 . . . . 56 PHE CD1 . 18108 1 231 . 1 1 56 56 PHE CD2 C 13 131.984 0.063 . 3 . . . . 56 PHE CD2 . 18108 1 232 . 1 1 56 56 PHE CE1 C 13 128.772 0.134 . 3 . . . . 56 PHE CE1 . 18108 1 233 . 1 1 56 56 PHE CE2 C 13 128.772 0.134 . 3 . . . . 56 PHE CE2 . 18108 1 234 . 1 1 56 56 PHE N N 15 121.247 0.000 . 1 . . . . 56 PHE N . 18108 1 235 . 1 1 57 57 THR C C 13 169.256 0.193 . 1 . . . . 57 THR C . 18108 1 236 . 1 1 57 57 THR CA C 13 57.148 0.120 . 1 . . . . 57 THR CA . 18108 1 237 . 1 1 57 57 THR CB C 13 70.207 0.177 . 1 . . . . 57 THR CB . 18108 1 238 . 1 1 57 57 THR CG2 C 13 18.655 0.173 . 1 . . . . 57 THR CG2 . 18108 1 239 . 1 1 57 57 THR N N 15 121.687 0.274 . 1 . . . . 57 THR N . 18108 1 240 . 1 1 58 58 ALA C C 13 174.704 0.089 . 1 . . . . 58 ALA C . 18108 1 241 . 1 1 58 58 ALA CA C 13 50.287 0.229 . 1 . . . . 58 ALA CA . 18108 1 242 . 1 1 58 58 ALA CB C 13 23.298 0.128 . 1 . . . . 58 ALA CB . 18108 1 243 . 1 1 58 58 ALA N N 15 125.497 0.281 . 1 . . . . 58 ALA N . 18108 1 244 . 1 1 59 59 GLY C C 13 170.994 0.104 . 1 . . . . 59 GLY C . 18108 1 245 . 1 1 59 59 GLY CA C 13 45.370 0.161 . 1 . . . . 59 GLY CA . 18108 1 246 . 1 1 59 59 GLY N N 15 104.296 0.393 . 1 . . . . 59 GLY N . 18108 1 247 . 1 1 60 60 VAL C C 13 174.901 0.143 . 1 . . . . 60 VAL C . 18108 1 248 . 1 1 60 60 VAL CA C 13 56.905 0.147 . 1 . . . . 60 VAL CA . 18108 1 249 . 1 1 60 60 VAL CB C 13 35.459 0.300 . 1 . . . . 60 VAL CB . 18108 1 250 . 1 1 60 60 VAL CG1 C 13 17.902 0.190 . 2 . . . . 60 VAL CG1 . 18108 1 251 . 1 1 60 60 VAL CG2 C 13 22.469 0.136 . 2 . . . . 60 VAL CG2 . 18108 1 252 . 1 1 60 60 VAL N N 15 108.230 0.318 . 1 . . . . 60 VAL N . 18108 1 253 . 1 1 61 61 GLY C C 13 171.481 0.185 . 1 . . . . 61 GLY C . 18108 1 254 . 1 1 61 61 GLY CA C 13 44.014 0.143 . 1 . . . . 61 GLY CA . 18108 1 255 . 1 1 61 61 GLY N N 15 105.380 0.269 . 1 . . . . 61 GLY N . 18108 1 256 . 1 1 62 62 GLY C C 13 170.638 0.122 . 1 . . . . 62 GLY C . 18108 1 257 . 1 1 62 62 GLY CA C 13 44.691 0.150 . 1 . . . . 62 GLY CA . 18108 1 258 . 1 1 62 62 GLY N N 15 106.292 0.211 . 1 . . . . 62 GLY N . 18108 1 259 . 1 1 63 63 TYR C C 13 173.661 0.213 . 1 . . . . 63 TYR C . 18108 1 260 . 1 1 63 63 TYR CA C 13 58.342 0.125 . 1 . . . . 63 TYR CA . 18108 1 261 . 1 1 63 63 TYR CB C 13 41.458 0.180 . 1 . . . . 63 TYR CB . 18108 1 262 . 1 1 63 63 TYR CG C 13 129.433 0.151 . 1 . . . . 63 TYR CG . 18108 1 263 . 1 1 63 63 TYR CD1 C 13 132.547 0.083 . 3 . . . . 63 TYR CD1 . 18108 1 264 . 1 1 63 63 TYR CD2 C 13 132.547 0.083 . 3 . . . . 63 TYR CD2 . 18108 1 265 . 1 1 63 63 TYR CE1 C 13 117.515 0.095 . 3 . . . . 63 TYR CE1 . 18108 1 266 . 1 1 63 63 TYR CE2 C 13 117.515 0.095 . 3 . . . . 63 TYR CE2 . 18108 1 267 . 1 1 63 63 TYR CZ C 13 158.266 0.108 . 1 . . . . 63 TYR CZ . 18108 1 268 . 1 1 63 63 TYR N N 15 118.601 0.143 . 1 . . . . 63 TYR N . 18108 1 269 . 1 1 64 64 ARG C C 13 177.129 0.100 . 1 . . . . 64 ARG C . 18108 1 270 . 1 1 64 64 ARG CA C 13 58.938 0.132 . 1 . . . . 64 ARG CA . 18108 1 271 . 1 1 64 64 ARG CB C 13 27.802 0.152 . 1 . . . . 64 ARG CB . 18108 1 272 . 1 1 64 64 ARG CG C 13 26.109 0.149 . 1 . . . . 64 ARG CG . 18108 1 273 . 1 1 64 64 ARG CD C 13 44.038 0.176 . 1 . . . . 64 ARG CD . 18108 1 274 . 1 1 64 64 ARG CZ C 13 159.645 0.079 . 1 . . . . 64 ARG CZ . 18108 1 275 . 1 1 64 64 ARG N N 15 124.484 0.388 . 1 . . . . 64 ARG N . 18108 1 276 . 1 1 65 65 SER C C 13 174.105 0.062 . 1 . . . . 65 SER C . 18108 1 277 . 1 1 65 65 SER CA C 13 57.619 0.159 . 1 . . . . 65 SER CA . 18108 1 278 . 1 1 65 65 SER CB C 13 63.355 0.122 . 1 . . . . 65 SER CB . 18108 1 279 . 1 1 65 65 SER N N 15 119.535 0.271 . 1 . . . . 65 SER N . 18108 1 280 . 1 1 66 66 SER C C 13 173.268 0.128 . 1 . . . . 66 SER C . 18108 1 281 . 1 1 66 66 SER CA C 13 59.504 0.146 . 1 . . . . 66 SER CA . 18108 1 282 . 1 1 66 66 SER CB C 13 65.886 0.171 . 1 . . . . 66 SER CB . 18108 1 283 . 1 1 66 66 SER N N 15 118.418 0.205 . 1 . . . . 66 SER N . 18108 1 284 . 1 1 67 67 GLN C C 13 174.820 0.043 . 1 . . . . 67 GLN C . 18108 1 285 . 1 1 67 67 GLN CA C 13 54.417 0.126 . 1 . . . . 67 GLN CA . 18108 1 286 . 1 1 67 67 GLN CB C 13 33.786 0.143 . 1 . . . . 67 GLN CB . 18108 1 287 . 1 1 67 67 GLN CG C 13 34.709 0.205 . 1 . . . . 67 GLN CG . 18108 1 288 . 1 1 67 67 GLN CD C 13 180.144 0.113 . 1 . . . . 67 GLN CD . 18108 1 289 . 1 1 67 67 GLN N N 15 121.511 0.335 . 1 . . . . 67 GLN N . 18108 1 290 . 1 1 68 68 ALA C C 13 173.233 0.120 . 1 . . . . 68 ALA C . 18108 1 291 . 1 1 68 68 ALA CA C 13 50.744 0.164 . 1 . . . . 68 ALA CA . 18108 1 292 . 1 1 68 68 ALA CB C 13 24.718 0.216 . 1 . . . . 68 ALA CB . 18108 1 293 . 1 1 68 68 ALA N N 15 123.269 0.231 . 1 . . . . 68 ALA N . 18108 1 294 . 1 1 69 69 LEU C C 13 174.256 0.104 . 1 . . . . 69 LEU C . 18108 1 295 . 1 1 69 69 LEU CA C 13 52.527 0.176 . 1 . . . . 69 LEU CA . 18108 1 296 . 1 1 69 69 LEU CB C 13 49.144 0.172 . 1 . . . . 69 LEU CB . 18108 1 297 . 1 1 69 69 LEU CG C 13 28.468 0.155 . 1 . . . . 69 LEU CG . 18108 1 298 . 1 1 69 69 LEU CD1 C 13 24.056 0.119 . 1 . . . . 69 LEU CD1 . 18108 1 299 . 1 1 69 69 LEU CD2 C 13 24.056 0.119 . 1 . . . . 69 LEU CD2 . 18108 1 300 . 1 1 69 69 LEU N N 15 120.650 0.241 . 1 . . . . 69 LEU N . 18108 1 301 . 1 1 70 70 ALA C C 13 175.330 0.113 . 1 . . . . 70 ALA C . 18108 1 302 . 1 1 70 70 ALA CA C 13 50.777 0.149 . 1 . . . . 70 ALA CA . 18108 1 303 . 1 1 70 70 ALA CB C 13 23.212 0.145 . 1 . . . . 70 ALA CB . 18108 1 304 . 1 1 70 70 ALA N N 15 125.563 0.373 . 1 . . . . 70 ALA N . 18108 1 305 . 1 1 71 71 ILE C C 13 173.873 0.146 . 1 . . . . 71 ILE C . 18108 1 306 . 1 1 71 71 ILE CA C 13 59.471 0.182 . 1 . . . . 71 ILE CA . 18108 1 307 . 1 1 71 71 ILE CB C 13 43.057 0.166 . 1 . . . . 71 ILE CB . 18108 1 308 . 1 1 71 71 ILE CG1 C 13 26.654 0.124 . 1 . . . . 71 ILE CG1 . 18108 1 309 . 1 1 71 71 ILE CG2 C 13 18.327 0.118 . 1 . . . . 71 ILE CG2 . 18108 1 310 . 1 1 71 71 ILE CD1 C 13 14.228 0.168 . 1 . . . . 71 ILE CD1 . 18108 1 311 . 1 1 71 71 ILE N N 15 113.985 0.275 . 1 . . . . 71 ILE N . 18108 1 312 . 1 1 72 72 GLY C C 13 170.786 0.098 . 1 . . . . 72 GLY C . 18108 1 313 . 1 1 72 72 GLY CA C 13 45.874 0.163 . 1 . . . . 72 GLY CA . 18108 1 314 . 1 1 72 72 GLY N N 15 108.944 0.154 . 1 . . . . 72 GLY N . 18108 1 315 . 1 1 73 73 SER C C 13 173.071 0.102 . 1 . . . . 73 SER C . 18108 1 316 . 1 1 73 73 SER CA C 13 57.333 0.175 . 1 . . . . 73 SER CA . 18108 1 317 . 1 1 73 73 SER CB C 13 66.056 0.126 . 1 . . . . 73 SER CB . 18108 1 318 . 1 1 73 73 SER N N 15 108.583 0.277 . 1 . . . . 73 SER N . 18108 1 319 . 1 1 74 74 GLY C C 13 170.911 0.096 . 1 . . . . 74 GLY C . 18108 1 320 . 1 1 74 74 GLY CA C 13 45.477 0.167 . 1 . . . . 74 GLY CA . 18108 1 321 . 1 1 74 74 GLY N N 15 111.310 0.165 . 1 . . . . 74 GLY N . 18108 1 322 . 1 1 75 75 TYR C C 13 175.060 0.141 . 1 . . . . 75 TYR C . 18108 1 323 . 1 1 75 75 TYR CA C 13 57.735 0.199 . 1 . . . . 75 TYR CA . 18108 1 324 . 1 1 75 75 TYR CB C 13 43.437 0.175 . 1 . . . . 75 TYR CB . 18108 1 325 . 1 1 75 75 TYR CD1 C 13 133.476 0.077 . 3 . . . . 75 TYR CD1 . 18108 1 326 . 1 1 75 75 TYR CD2 C 13 133.476 0.077 . 3 . . . . 75 TYR CD2 . 18108 1 327 . 1 1 75 75 TYR CE1 C 13 118.377 0.102 . 3 . . . . 75 TYR CE1 . 18108 1 328 . 1 1 75 75 TYR CE2 C 13 118.377 0.102 . 3 . . . . 75 TYR CE2 . 18108 1 329 . 1 1 75 75 TYR CZ C 13 158.358 0.121 . 1 . . . . 75 TYR CZ . 18108 1 330 . 1 1 75 75 TYR N N 15 118.720 0.036 . 1 . . . . 75 TYR N . 18108 1 331 . 1 1 76 76 ARG C C 13 174.444 0.094 . 1 . . . . 76 ARG C . 18108 1 332 . 1 1 76 76 ARG CA C 13 55.301 0.175 . 1 . . . . 76 ARG CA . 18108 1 333 . 1 1 76 76 ARG CB C 13 30.358 0.187 . 1 . . . . 76 ARG CB . 18108 1 334 . 1 1 76 76 ARG CG C 13 26.571 0.184 . 1 . . . . 76 ARG CG . 18108 1 335 . 1 1 76 76 ARG CD C 13 43.669 0.135 . 1 . . . . 76 ARG CD . 18108 1 336 . 1 1 76 76 ARG CZ C 13 159.404 0.147 . 1 . . . . 76 ARG CZ . 18108 1 337 . 1 1 76 76 ARG N N 15 127.609 0.320 . 1 . . . . 76 ARG N . 18108 1 338 . 1 1 77 77 VAL C C 13 176.097 0.139 . 1 . . . . 77 VAL C . 18108 1 339 . 1 1 77 77 VAL CA C 13 64.764 0.116 . 1 . . . . 77 VAL CA . 18108 1 340 . 1 1 77 77 VAL CB C 13 33.158 0.179 . 1 . . . . 77 VAL CB . 18108 1 341 . 1 1 77 77 VAL CG1 C 13 21.477 0.141 . 2 . . . . 77 VAL CG1 . 18108 1 342 . 1 1 77 77 VAL CG2 C 13 22.265 0.160 . 2 . . . . 77 VAL CG2 . 18108 1 343 . 1 1 77 77 VAL N N 15 125.122 0.200 . 1 . . . . 77 VAL N . 18108 1 344 . 1 1 78 78 ASN C C 13 174.485 0.134 . 1 . . . . 78 ASN C . 18108 1 345 . 1 1 78 78 ASN CA C 13 51.711 0.166 . 1 . . . . 78 ASN CA . 18108 1 346 . 1 1 78 78 ASN CB C 13 38.227 0.171 . 1 . . . . 78 ASN CB . 18108 1 347 . 1 1 78 78 ASN CG C 13 176.192 0.151 . 1 . . . . 78 ASN CG . 18108 1 348 . 1 1 78 78 ASN N N 15 111.076 0.200 . 1 . . . . 78 ASN N . 18108 1 349 . 1 1 79 79 GLU C C 13 177.192 0.116 . 1 . . . . 79 GLU C . 18108 1 350 . 1 1 79 79 GLU CA C 13 59.132 0.197 . 1 . . . . 79 GLU CA . 18108 1 351 . 1 1 79 79 GLU CB C 13 29.368 0.147 . 1 . . . . 79 GLU CB . 18108 1 352 . 1 1 79 79 GLU CG C 13 36.630 0.110 . 1 . . . . 79 GLU CG . 18108 1 353 . 1 1 79 79 GLU CD C 13 183.460 0.129 . 1 . . . . 79 GLU CD . 18108 1 354 . 1 1 79 79 GLU N N 15 115.634 0.247 . 1 . . . . 79 GLU N . 18108 1 355 . 1 1 80 80 SER C C 13 174.617 0.085 . 1 . . . . 80 SER C . 18108 1 356 . 1 1 80 80 SER CA C 13 60.917 0.167 . 1 . . . . 80 SER CA . 18108 1 357 . 1 1 80 80 SER CB C 13 65.128 0.234 . 1 . . . . 80 SER CB . 18108 1 358 . 1 1 80 80 SER N N 15 114.083 0.113 . 1 . . . . 80 SER N . 18108 1 359 . 1 1 81 81 VAL C C 13 173.976 0.063 . 1 . . . . 81 VAL C . 18108 1 360 . 1 1 81 81 VAL CA C 13 62.088 0.214 . 1 . . . . 81 VAL CA . 18108 1 361 . 1 1 81 81 VAL CB C 13 34.912 0.156 . 1 . . . . 81 VAL CB . 18108 1 362 . 1 1 81 81 VAL CG1 C 13 21.737 0.148 . 1 . . . . 81 VAL CG1 . 18108 1 363 . 1 1 81 81 VAL CG2 C 13 21.737 0.148 . 1 . . . . 81 VAL CG2 . 18108 1 364 . 1 1 81 81 VAL N N 15 121.206 0.198 . 1 . . . . 81 VAL N . 18108 1 365 . 1 1 82 82 ALA C C 13 174.368 0.133 . 1 . . . . 82 ALA C . 18108 1 366 . 1 1 82 82 ALA CA C 13 50.628 0.155 . 1 . . . . 82 ALA CA . 18108 1 367 . 1 1 82 82 ALA CB C 13 26.480 0.147 . 1 . . . . 82 ALA CB . 18108 1 368 . 1 1 82 82 ALA N N 15 127.420 0.299 . 1 . . . . 82 ALA N . 18108 1 369 . 1 1 83 83 LEU C C 13 175.442 0.096 . 1 . . . . 83 LEU C . 18108 1 370 . 1 1 83 83 LEU CA C 13 55.140 0.176 . 1 . . . . 83 LEU CA . 18108 1 371 . 1 1 83 83 LEU CB C 13 46.500 0.206 . 1 . . . . 83 LEU CB . 18108 1 372 . 1 1 83 83 LEU CG C 13 28.030 0.160 . 1 . . . . 83 LEU CG . 18108 1 373 . 1 1 83 83 LEU CD1 C 13 26.255 0.170 . 1 . . . . 83 LEU CD1 . 18108 1 374 . 1 1 83 83 LEU CD2 C 13 26.255 0.170 . 1 . . . . 83 LEU CD2 . 18108 1 375 . 1 1 83 83 LEU N N 15 117.909 0.209 . 1 . . . . 83 LEU N . 18108 1 376 . 1 1 84 84 LYS C C 13 172.504 0.169 . 1 . . . . 84 LYS C . 18108 1 377 . 1 1 84 84 LYS CA C 13 57.135 0.171 . 1 . . . . 84 LYS CA . 18108 1 378 . 1 1 84 84 LYS CB C 13 36.115 0.167 . 1 . . . . 84 LYS CB . 18108 1 379 . 1 1 84 84 LYS CG C 13 21.452 0.149 . 1 . . . . 84 LYS CG . 18108 1 380 . 1 1 84 84 LYS CD C 13 29.506 0.157 . 1 . . . . 84 LYS CD . 18108 1 381 . 1 1 84 84 LYS CE C 13 41.162 0.148 . 1 . . . . 84 LYS CE . 18108 1 382 . 1 1 84 84 LYS N N 15 117.720 0.196 . 1 . . . . 84 LYS N . 18108 1 383 . 1 1 85 85 ALA C C 13 175.997 0.153 . 1 . . . . 85 ALA C . 18108 1 384 . 1 1 85 85 ALA CA C 13 52.688 0.171 . 1 . . . . 85 ALA CA . 18108 1 385 . 1 1 85 85 ALA CB C 13 24.304 0.157 . 1 . . . . 85 ALA CB . 18108 1 386 . 1 1 85 85 ALA N N 15 119.751 0.201 . 1 . . . . 85 ALA N . 18108 1 387 . 1 1 86 86 GLY C C 13 170.793 0.123 . 1 . . . . 86 GLY C . 18108 1 388 . 1 1 86 86 GLY CA C 13 45.926 0.159 . 1 . . . . 86 GLY CA . 18108 1 389 . 1 1 86 86 GLY N N 15 107.536 0.234 . 1 . . . . 86 GLY N . 18108 1 390 . 1 1 87 87 VAL C C 13 171.983 0.264 . 1 . . . . 87 VAL C . 18108 1 391 . 1 1 87 87 VAL CA C 13 59.862 0.105 . 1 . . . . 87 VAL CA . 18108 1 392 . 1 1 87 87 VAL CB C 13 35.931 0.119 . 1 . . . . 87 VAL CB . 18108 1 393 . 1 1 87 87 VAL CG1 C 13 20.838 0.198 . 2 . . . . 87 VAL CG1 . 18108 1 394 . 1 1 87 87 VAL CG2 C 13 21.723 0.147 . 2 . . . . 87 VAL CG2 . 18108 1 395 . 1 1 87 87 VAL N N 15 115.447 0.268 . 1 . . . . 87 VAL N . 18108 1 396 . 1 1 88 88 ALA C C 13 175.659 0.116 . 1 . . . . 88 ALA C . 18108 1 397 . 1 1 88 88 ALA CA C 13 50.860 0.127 . 1 . . . . 88 ALA CA . 18108 1 398 . 1 1 88 88 ALA CB C 13 26.893 0.126 . 1 . . . . 88 ALA CB . 18108 1 399 . 1 1 88 88 ALA N N 15 124.725 0.172 . 1 . . . . 88 ALA N . 18108 1 400 . 1 1 89 89 TYR C C 13 173.471 0.095 . 1 . . . . 89 TYR C . 18108 1 401 . 1 1 89 89 TYR CA C 13 57.348 0.099 . 1 . . . . 89 TYR CA . 18108 1 402 . 1 1 89 89 TYR CB C 13 44.527 0.098 . 1 . . . . 89 TYR CB . 18108 1 403 . 1 1 89 89 TYR CD1 C 13 132.137 0.178 . 3 . . . . 89 TYR CD1 . 18108 1 404 . 1 1 89 89 TYR CD2 C 13 132.137 0.178 . 3 . . . . 89 TYR CD2 . 18108 1 405 . 1 1 89 89 TYR CE1 C 13 118.102 0.051 . 3 . . . . 89 TYR CE1 . 18108 1 406 . 1 1 89 89 TYR CE2 C 13 118.102 0.051 . 3 . . . . 89 TYR CE2 . 18108 1 407 . 1 1 89 89 TYR CZ C 13 159.662 0.087 . 1 . . . . 89 TYR CZ . 18108 1 408 . 1 1 89 89 TYR N N 15 118.785 0.283 . 1 . . . . 89 TYR N . 18108 1 409 . 1 1 90 90 ALA C C 13 176.913 0.141 . 1 . . . . 90 ALA C . 18108 1 410 . 1 1 90 90 ALA CA C 13 50.561 0.122 . 1 . . . . 90 ALA CA . 18108 1 411 . 1 1 90 90 ALA CB C 13 21.590 0.171 . 1 . . . . 90 ALA CB . 18108 1 412 . 1 1 90 90 ALA N N 15 129.508 0.122 . 1 . . . . 90 ALA N . 18108 1 413 . 1 1 91 91 GLY C C 13 173.356 0.153 . 1 . . . . 91 GLY C . 18108 1 414 . 1 1 91 91 GLY CA C 13 45.691 0.122 . 1 . . . . 91 GLY CA . 18108 1 415 . 1 1 91 91 GLY N N 15 103.528 0.252 . 1 . . . . 91 GLY N . 18108 1 416 . 1 1 92 92 SER C C 13 173.691 0.117 . 1 . . . . 92 SER C . 18108 1 417 . 1 1 92 92 SER CA C 13 55.766 0.126 . 1 . . . . 92 SER CA . 18108 1 418 . 1 1 92 92 SER CB C 13 66.524 0.221 . 1 . . . . 92 SER CB . 18108 1 419 . 1 1 92 92 SER N N 15 112.535 0.397 . 1 . . . . 92 SER N . 18108 1 420 . 1 1 93 93 SER C C 13 174.043 0.093 . 1 . . . . 93 SER C . 18108 1 421 . 1 1 93 93 SER CA C 13 59.696 0.116 . 1 . . . . 93 SER CA . 18108 1 422 . 1 1 93 93 SER CB C 13 63.321 0.146 . 1 . . . . 93 SER CB . 18108 1 423 . 1 1 93 93 SER N N 15 113.090 0.169 . 1 . . . . 93 SER N . 18108 1 424 . 1 1 94 94 ASP C C 13 174.963 0.129 . 1 . . . . 94 ASP C . 18108 1 425 . 1 1 94 94 ASP CA C 13 54.052 0.143 . 1 . . . . 94 ASP CA . 18108 1 426 . 1 1 94 94 ASP CB C 13 40.967 0.232 . 1 . . . . 94 ASP CB . 18108 1 427 . 1 1 94 94 ASP CG C 13 179.842 0.197 . 1 . . . . 94 ASP CG . 18108 1 428 . 1 1 94 94 ASP N N 15 121.046 0.169 . 1 . . . . 94 ASP N . 18108 1 429 . 1 1 95 95 VAL C C 13 174.638 0.129 . 1 . . . . 95 VAL C . 18108 1 430 . 1 1 95 95 VAL CA C 13 61.942 0.162 . 1 . . . . 95 VAL CA . 18108 1 431 . 1 1 95 95 VAL CB C 13 34.084 0.167 . 1 . . . . 95 VAL CB . 18108 1 432 . 1 1 95 95 VAL CG1 C 13 22.173 0.092 . 2 . . . . 95 VAL CG1 . 18108 1 433 . 1 1 95 95 VAL CG2 C 13 20.615 0.223 . 2 . . . . 95 VAL CG2 . 18108 1 434 . 1 1 95 95 VAL N N 15 122.139 0.120 . 1 . . . . 95 VAL N . 18108 1 435 . 1 1 96 96 MET C C 13 174.150 0.082 . 1 . . . . 96 MET C . 18108 1 436 . 1 1 96 96 MET CA C 13 54.146 0.145 . 1 . . . . 96 MET CA . 18108 1 437 . 1 1 96 96 MET CB C 13 38.848 0.194 . 1 . . . . 96 MET CB . 18108 1 438 . 1 1 96 96 MET CG C 13 32.998 0.188 . 1 . . . . 96 MET CG . 18108 1 439 . 1 1 96 96 MET CE C 13 18.503 0.114 . 1 . . . . 96 MET CE . 18108 1 440 . 1 1 96 96 MET N N 15 122.837 0.092 . 1 . . . . 96 MET N . 18108 1 441 . 1 1 97 97 TYR C C 13 172.965 0.062 . 1 . . . . 97 TYR C . 18108 1 442 . 1 1 97 97 TYR CA C 13 55.573 0.184 . 1 . . . . 97 TYR CA . 18108 1 443 . 1 1 97 97 TYR CB C 13 42.353 0.200 . 1 . . . . 97 TYR CB . 18108 1 444 . 1 1 97 97 TYR CD1 C 13 132.540 0.000 . 3 . . . . 97 TYR CD1 . 18108 1 445 . 1 1 97 97 TYR CD2 C 13 132.540 0.000 . 3 . . . . 97 TYR CD2 . 18108 1 446 . 1 1 97 97 TYR CE1 C 13 117.431 0.017 . 3 . . . . 97 TYR CE1 . 18108 1 447 . 1 1 97 97 TYR CE2 C 13 117.431 0.017 . 3 . . . . 97 TYR CE2 . 18108 1 448 . 1 1 97 97 TYR CZ C 13 158.709 0.132 . 1 . . . . 97 TYR CZ . 18108 1 449 . 1 1 97 97 TYR N N 15 119.939 0.216 . 1 . . . . 97 TYR N . 18108 1 450 . 1 1 98 98 ASN C C 13 173.494 0.075 . 1 . . . . 98 ASN C . 18108 1 451 . 1 1 98 98 ASN CA C 13 52.693 0.116 . 1 . . . . 98 ASN CA . 18108 1 452 . 1 1 98 98 ASN CB C 13 42.006 0.118 . 1 . . . . 98 ASN CB . 18108 1 453 . 1 1 98 98 ASN CG C 13 177.022 0.150 . 1 . . . . 98 ASN CG . 18108 1 454 . 1 1 98 98 ASN N N 15 114.008 0.213 . 1 . . . . 98 ASN N . 18108 1 455 . 1 1 99 99 ALA C C 13 175.647 0.115 . 1 . . . . 99 ALA C . 18108 1 456 . 1 1 99 99 ALA CA C 13 52.828 0.154 . 1 . . . . 99 ALA CA . 18108 1 457 . 1 1 99 99 ALA CB C 13 22.579 0.166 . 1 . . . . 99 ALA CB . 18108 1 458 . 1 1 99 99 ALA N N 15 114.469 0.110 . 1 . . . . 99 ALA N . 18108 1 459 . 1 1 100 100 SER C C 13 173.768 0.110 . 1 . . . . 100 SER C . 18108 1 460 . 1 1 100 100 SER CA C 13 57.083 0.222 . 1 . . . . 100 SER CA . 18108 1 461 . 1 1 100 100 SER CB C 13 67.499 0.278 . 1 . . . . 100 SER CB . 18108 1 462 . 1 1 100 100 SER N N 15 112.578 0.368 . 1 . . . . 100 SER N . 18108 1 463 . 1 1 101 101 PHE C C 13 173.459 0.083 . 1 . . . . 101 PHE C . 18108 1 464 . 1 1 101 101 PHE CA C 13 55.463 0.160 . 1 . . . . 101 PHE CA . 18108 1 465 . 1 1 101 101 PHE CB C 13 44.275 0.137 . 1 . . . . 101 PHE CB . 18108 1 466 . 1 1 101 101 PHE CG C 13 139.113 0.149 . 1 . . . . 101 PHE CG . 18108 1 467 . 1 1 101 101 PHE CD1 C 13 132.380 0.128 . 3 . . . . 101 PHE CD1 . 18108 1 468 . 1 1 101 101 PHE CD2 C 13 132.380 0.128 . 3 . . . . 101 PHE CD2 . 18108 1 469 . 1 1 101 101 PHE CE1 C 13 132.034 0.177 . 3 . . . . 101 PHE CE1 . 18108 1 470 . 1 1 101 101 PHE CE2 C 13 132.034 0.177 . 3 . . . . 101 PHE CE2 . 18108 1 471 . 1 1 101 101 PHE CZ C 13 129.081 0.126 . 1 . . . . 101 PHE CZ . 18108 1 472 . 1 1 101 101 PHE N N 15 110.929 0.182 . 1 . . . . 101 PHE N . 18108 1 473 . 1 1 102 102 ASN C C 13 173.943 0.095 . 1 . . . . 102 ASN C . 18108 1 474 . 1 1 102 102 ASN CA C 13 52.725 0.275 . 1 . . . . 102 ASN CA . 18108 1 475 . 1 1 102 102 ASN CB C 13 41.898 0.107 . 1 . . . . 102 ASN CB . 18108 1 476 . 1 1 102 102 ASN CG C 13 177.256 0.129 . 1 . . . . 102 ASN CG . 18108 1 477 . 1 1 102 102 ASN N N 15 114.380 0.318 . 1 . . . . 102 ASN N . 18108 1 478 . 1 1 103 103 ILE C C 13 171.047 0.133 . 1 . . . . 103 ILE C . 18108 1 479 . 1 1 103 103 ILE CA C 13 60.031 0.132 . 1 . . . . 103 ILE CA . 18108 1 480 . 1 1 103 103 ILE CB C 13 41.426 0.209 . 1 . . . . 103 ILE CB . 18108 1 481 . 1 1 103 103 ILE CG1 C 13 28.659 0.165 . 1 . . . . 103 ILE CG1 . 18108 1 482 . 1 1 103 103 ILE CG2 C 13 19.623 0.325 . 1 . . . . 103 ILE CG2 . 18108 1 483 . 1 1 103 103 ILE CD1 C 13 16.129 0.304 . 1 . . . . 103 ILE CD1 . 18108 1 484 . 1 1 103 103 ILE N N 15 124.790 0.150 . 1 . . . . 103 ILE N . 18108 1 485 . 1 1 104 104 GLU C C 13 175.023 0.118 . 1 . . . . 104 GLU C . 18108 1 486 . 1 1 104 104 GLU CA C 13 54.241 0.158 . 1 . . . . 104 GLU CA . 18108 1 487 . 1 1 104 104 GLU CB C 13 34.662 0.186 . 1 . . . . 104 GLU CB . 18108 1 488 . 1 1 104 104 GLU CG C 13 37.713 0.241 . 1 . . . . 104 GLU CG . 18108 1 489 . 1 1 104 104 GLU CD C 13 183.589 0.128 . 1 . . . . 104 GLU CD . 18108 1 490 . 1 1 104 104 GLU N N 15 122.523 0.184 . 1 . . . . 104 GLU N . 18108 1 491 . 1 1 105 105 TRP N N 15 123.937 0.000 . 1 . . . . 105 TRP N . 18108 1 stop_ save_