################################### # 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_PagPin_CYFOS-7 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode PagPin_CYFOS-7 _Assigned_chem_shift_list.Entry_ID 6234 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 ; The protein was uniformly deuterated (except at exchangeable sites). Deuteration will change the chemical shift values. ; _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 $sample_1 . 6234 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 2 2 ASN CA C 13 52.021 0.1 . 1 . . . . . . . . 6234 1 2 . 1 1 2 2 ASN CB C 13 38.482 0.1 . 1 . . . . . . . . 6234 1 3 . 1 1 3 3 ALA N N 15 125.845 0.1 . 1 . . . . . . . . 6234 1 4 . 1 1 3 3 ALA H H 1 8.874 0.01 . 1 . . . . . . . . 6234 1 5 . 1 1 3 3 ALA CA C 13 54.956 0.1 . 1 . . . . . . . . 6234 1 6 . 1 1 3 3 ALA CB C 13 17.903 0.1 . 1 . . . . . . . . 6234 1 7 . 1 1 4 4 ASP N N 15 117.487 0.1 . 1 . . . . . . . . 6234 1 8 . 1 1 4 4 ASP H H 1 8.241 0.01 . 1 . . . . . . . . 6234 1 9 . 1 1 4 4 ASP CA C 13 56.884 0.1 . 1 . . . . . . . . 6234 1 10 . 1 1 4 4 ASP CB C 13 39.736 0.1 . 1 . . . . . . . . 6234 1 11 . 1 1 5 5 GLU N N 15 120.872 0.1 . 1 . . . . . . . . 6234 1 12 . 1 1 5 5 GLU H H 1 7.890 0.01 . 1 . . . . . . . . 6234 1 13 . 1 1 5 5 GLU CA C 13 58.305 0.1 . 1 . . . . . . . . 6234 1 14 . 1 1 5 5 GLU CB C 13 28.740 0.1 . 1 . . . . . . . . 6234 1 15 . 1 1 6 6 TRP N N 15 122.222 0.1 . 1 . . . . . . . . 6234 1 16 . 1 1 6 6 TRP H H 1 7.826 0.01 . 1 . . . . . . . . 6234 1 17 . 1 1 6 6 TRP CA C 13 60.441 0.1 . 1 . . . . . . . . 6234 1 18 . 1 1 6 6 TRP CB C 13 28.452 0.1 . 1 . . . . . . . . 6234 1 19 . 1 1 7 7 MET N N 15 118.993 0.1 . 1 . . . . . . . . 6234 1 20 . 1 1 7 7 MET H H 1 8.334 0.01 . 1 . . . . . . . . 6234 1 21 . 1 1 7 7 MET CA C 13 58.700 0.1 . 1 . . . . . . . . 6234 1 22 . 1 1 7 7 MET CB C 13 31.515 0.1 . 1 . . . . . . . . 6234 1 23 . 1 1 8 8 THR N N 15 116.875 0.1 . 1 . . . . . . . . 6234 1 24 . 1 1 8 8 THR H H 1 8.033 0.01 . 1 . . . . . . . . 6234 1 25 . 1 1 8 8 THR CA C 13 66.508 0.1 . 1 . . . . . . . . 6234 1 26 . 1 1 8 8 THR CB C 13 68.102 0.1 . 1 . . . . . . . . 6234 1 27 . 1 1 9 9 THR N N 15 119.988 0.1 . 1 . . . . . . . . 6234 1 28 . 1 1 9 9 THR H H 1 7.781 0.01 . 1 . . . . . . . . 6234 1 29 . 1 1 9 9 THR CA C 13 66.521 0.1 . 1 . . . . . . . . 6234 1 30 . 1 1 9 9 THR CB C 13 67.844 0.1 . 1 . . . . . . . . 6234 1 31 . 1 1 10 10 PHE N N 15 122.188 0.1 . 1 . . . . . . . . 6234 1 32 . 1 1 10 10 PHE H H 1 8.100 0.01 . 1 . . . . . . . . 6234 1 33 . 1 1 10 10 PHE CA C 13 60.591 0.1 . 1 . . . . . . . . 6234 1 34 . 1 1 10 10 PHE CB C 13 38.540 0.1 . 1 . . . . . . . . 6234 1 35 . 1 1 11 11 ARG N N 15 118.356 0.1 . 1 . . . . . . . . 6234 1 36 . 1 1 11 11 ARG H H 1 8.177 0.01 . 1 . . . . . . . . 6234 1 37 . 1 1 11 11 ARG CA C 13 59.762 0.1 . 1 . . . . . . . . 6234 1 38 . 1 1 11 11 ARG CB C 13 29.219 0.1 . 1 . . . . . . . . 6234 1 39 . 1 1 12 12 GLU N N 15 119.028 0.1 . 1 . . . . . . . . 6234 1 40 . 1 1 12 12 GLU H H 1 8.283 0.01 . 1 . . . . . . . . 6234 1 41 . 1 1 12 12 GLU CA C 13 58.564 0.1 . 1 . . . . . . . . 6234 1 42 . 1 1 12 12 GLU CB C 13 28.055 0.1 . 1 . . . . . . . . 6234 1 43 . 1 1 13 13 ASN N N 15 120.009 0.1 . 1 . . . . . . . . 6234 1 44 . 1 1 13 13 ASN H H 1 8.254 0.01 . 1 . . . . . . . . 6234 1 45 . 1 1 13 13 ASN CA C 13 55.171 0.1 . 1 . . . . . . . . 6234 1 46 . 1 1 13 13 ASN CB C 13 37.286 0.1 . 1 . . . . . . . . 6234 1 47 . 1 1 14 14 ILE N N 15 124.971 0.1 . 1 . . . . . . . . 6234 1 48 . 1 1 14 14 ILE H H 1 7.838 0.01 . 1 . . . . . . . . 6234 1 49 . 1 1 14 14 ILE CA C 13 65.829 0.1 . 1 . . . . . . . . 6234 1 50 . 1 1 14 14 ILE CB C 13 37.000 0.1 . 1 . . . . . . . . 6234 1 51 . 1 1 15 15 ALA N N 15 123.172 0.1 . 1 . . . . . . . . 6234 1 52 . 1 1 15 15 ALA H H 1 8.201 0.01 . 1 . . . . . . . . 6234 1 53 . 1 1 15 15 ALA CA C 13 55.439 0.1 . 1 . . . . . . . . 6234 1 54 . 1 1 15 15 ALA CB C 13 17.479 0.1 . 1 . . . . . . . . 6234 1 55 . 1 1 16 16 GLN N N 15 115.822 0.1 . 1 . . . . . . . . 6234 1 56 . 1 1 16 16 GLN H H 1 8.425 0.01 . 1 . . . . . . . . 6234 1 57 . 1 1 16 16 GLN CA C 13 58.298 0.1 . 1 . . . . . . . . 6234 1 58 . 1 1 16 16 GLN CB C 13 27.744 0.1 . 1 . . . . . . . . 6234 1 59 . 1 1 17 17 THR N N 15 116.541 0.1 . 1 . . . . . . . . 6234 1 60 . 1 1 17 17 THR H H 1 7.271 0.01 . 1 . . . . . . . . 6234 1 61 . 1 1 17 17 THR CA C 13 66.849 0.1 . 1 . . . . . . . . 6234 1 62 . 1 1 17 17 THR CB C 13 67.536 0.1 . 1 . . . . . . . . 6234 1 63 . 1 1 18 18 TRP N N 15 117.814 0.1 . 1 . . . . . . . . 6234 1 64 . 1 1 18 18 TRP H H 1 7.209 0.01 . 1 . . . . . . . . 6234 1 65 . 1 1 18 18 TRP CA C 13 58.201 0.1 . 1 . . . . . . . . 6234 1 66 . 1 1 18 18 TRP CB C 13 29.903 0.1 . 1 . . . . . . . . 6234 1 67 . 1 1 19 19 GLN N N 15 112.658 0.1 . 1 . . . . . . . . 6234 1 68 . 1 1 19 19 GLN H H 1 8.226 0.01 . 1 . . . . . . . . 6234 1 69 . 1 1 19 19 GLN CA C 13 57.587 0.1 . 1 . . . . . . . . 6234 1 70 . 1 1 19 19 GLN CB C 13 28.832 0.1 . 1 . . . . . . . . 6234 1 71 . 1 1 20 20 GLN N N 15 116.844 0.1 . 1 . . . . . . . . 6234 1 72 . 1 1 20 20 GLN H H 1 7.740 0.01 . 1 . . . . . . . . 6234 1 73 . 1 1 20 20 GLN CA C 13 52.562 0.1 . 1 . . . . . . . . 6234 1 74 . 1 1 20 20 GLN CB C 13 28.608 0.1 . 1 . . . . . . . . 6234 1 75 . 1 1 21 21 PRO CA C 13 63.286 0.1 . 1 . . . . . . . . 6234 1 76 . 1 1 21 21 PRO CB C 13 31.078 0.1 . 1 . . . . . . . . 6234 1 77 . 1 1 22 22 GLU N N 15 118.798 0.1 . 1 . . . . . . . . 6234 1 78 . 1 1 22 22 GLU H H 1 8.236 0.01 . 1 . . . . . . . . 6234 1 79 . 1 1 22 22 GLU CA C 13 55.825 0.1 . 1 . . . . . . . . 6234 1 80 . 1 1 22 22 GLU CB C 13 32.456 0.1 . 1 . . . . . . . . 6234 1 81 . 1 1 23 23 HIS N N 15 114.613 0.1 . 1 . . . . . . . . 6234 1 82 . 1 1 23 23 HIS H H 1 8.007 0.01 . 1 . . . . . . . . 6234 1 83 . 1 1 23 23 HIS CA C 13 53.584 0.1 . 1 . . . . . . . . 6234 1 84 . 1 1 23 23 HIS CB C 13 32.259 0.1 . 1 . . . . . . . . 6234 1 85 . 1 1 24 24 TYR N N 15 119.725 0.1 . 1 . . . . . . . . 6234 1 86 . 1 1 24 24 TYR H H 1 8.325 0.01 . 1 . . . . . . . . 6234 1 87 . 1 1 24 24 TYR CA C 13 55.379 0.1 . 1 . . . . . . . . 6234 1 88 . 1 1 24 24 TYR CB C 13 39.896 0.1 . 1 . . . . . . . . 6234 1 89 . 1 1 25 25 ASP N N 15 120.594 0.1 . 1 . . . . . . . . 6234 1 90 . 1 1 25 25 ASP H H 1 8.811 0.01 . 1 . . . . . . . . 6234 1 91 . 1 1 25 25 ASP CA C 13 55.437 0.1 . 1 . . . . . . . . 6234 1 92 . 1 1 25 25 ASP CB C 13 39.802 0.1 . 1 . . . . . . . . 6234 1 93 . 1 1 26 26 LEU N N 15 122.202 0.1 . 1 . . . . . . . . 6234 1 94 . 1 1 26 26 LEU H H 1 9.082 0.01 . 1 . . . . . . . . 6234 1 95 . 1 1 26 26 LEU CA C 13 53.237 0.1 . 1 . . . . . . . . 6234 1 96 . 1 1 26 26 LEU CB C 13 45.495 0.1 . 1 . . . . . . . . 6234 1 97 . 1 1 27 27 TYR N N 15 125.410 0.1 . 1 . . . . . . . . 6234 1 98 . 1 1 27 27 TYR H H 1 8.615 0.01 . 1 . . . . . . . . 6234 1 99 . 1 1 27 27 TYR CA C 13 56.984 0.1 . 1 . . . . . . . . 6234 1 100 . 1 1 27 27 TYR CB C 13 39.879 0.1 . 1 . . . . . . . . 6234 1 101 . 1 1 28 28 ILE N N 15 120.609 0.1 . 1 . . . . . . . . 6234 1 102 . 1 1 28 28 ILE H H 1 9.091 0.01 . 1 . . . . . . . . 6234 1 103 . 1 1 28 28 ILE CA C 13 56.831 0.1 . 1 . . . . . . . . 6234 1 104 . 1 1 28 28 ILE CB C 13 40.276 0.1 . 1 . . . . . . . . 6234 1 105 . 1 1 29 29 PRO CA C 13 56.959 0.1 . 1 . . . . . . . . 6234 1 106 . 1 1 37 37 PHE N N 15 120.818 0.1 . 1 . . . . . . . . 6234 1 107 . 1 1 37 37 PHE H H 1 7.982 0.01 . 1 . . . . . . . . 6234 1 108 . 1 1 37 37 PHE CA C 13 57.428 0.1 . 1 . . . . . . . . 6234 1 109 . 1 1 37 37 PHE CB C 13 38.118 0.1 . 1 . . . . . . . . 6234 1 110 . 1 1 38 38 ALA N N 15 124.581 0.1 . 1 . . . . . . . . 6234 1 111 . 1 1 38 38 ALA H H 1 7.747 0.01 . 1 . . . . . . . . 6234 1 112 . 1 1 38 38 ALA CA C 13 51.860 0.1 . 1 . . . . . . . . 6234 1 113 . 1 1 38 38 ALA CB C 13 18.916 0.1 . 1 . . . . . . . . 6234 1 114 . 1 1 39 39 TYR N N 15 119.375 0.1 . 1 . . . . . . . . 6234 1 115 . 1 1 39 39 TYR H H 1 7.680 0.01 . 1 . . . . . . . . 6234 1 116 . 1 1 39 39 TYR CA C 13 57.669 0.1 . 1 . . . . . . . . 6234 1 117 . 1 1 39 39 TYR CB C 13 37.917 0.1 . 1 . . . . . . . . 6234 1 118 . 1 1 40 40 ASP N N 15 122.214 0.1 . 1 . . . . . . . . 6234 1 119 . 1 1 40 40 ASP H H 1 8.000 0.01 . 1 . . . . . . . . 6234 1 120 . 1 1 40 40 ASP CA C 13 53.712 0.1 . 1 . . . . . . . . 6234 1 121 . 1 1 40 40 ASP CB C 13 40.563 0.1 . 1 . . . . . . . . 6234 1 122 . 1 1 41 41 LYS N N 15 122.225 0.1 . 1 . . . . . . . . 6234 1 123 . 1 1 41 41 LYS H H 1 7.901 0.01 . 1 . . . . . . . . 6234 1 124 . 1 1 41 41 LYS CA C 13 56.525 0.1 . 1 . . . . . . . . 6234 1 125 . 1 1 41 41 LYS CB C 13 31.889 0.1 . 1 . . . . . . . . 6234 1 126 . 1 1 42 42 GLU N N 15 120.238 0.1 . 1 . . . . . . . . 6234 1 127 . 1 1 42 42 GLU H H 1 8.192 0.01 . 1 . . . . . . . . 6234 1 128 . 1 1 42 42 GLU CA C 13 56.438 0.1 . 1 . . . . . . . . 6234 1 129 . 1 1 42 42 GLU CB C 13 29.186 0.1 . 1 . . . . . . . . 6234 1 130 . 1 1 43 43 LYS N N 15 121.623 0.1 . 1 . . . . . . . . 6234 1 131 . 1 1 43 43 LYS H H 1 7.926 0.01 . 1 . . . . . . . . 6234 1 132 . 1 1 43 43 LYS CA C 13 56.061 0.1 . 1 . . . . . . . . 6234 1 133 . 1 1 43 43 LYS CB C 13 31.957 0.1 . 1 . . . . . . . . 6234 1 134 . 1 1 44 44 THR N N 15 115.214 0.1 . 1 . . . . . . . . 6234 1 135 . 1 1 44 44 THR H H 1 7.895 0.01 . 1 . . . . . . . . 6234 1 136 . 1 1 44 44 THR CA C 13 61.516 0.1 . 1 . . . . . . . . 6234 1 137 . 1 1 44 44 THR CB C 13 69.327 0.1 . 1 . . . . . . . . 6234 1 138 . 1 1 45 45 ASP N N 15 123.004 0.1 . 1 . . . . . . . . 6234 1 139 . 1 1 45 45 ASP H H 1 8.107 0.01 . 1 . . . . . . . . 6234 1 140 . 1 1 45 45 ASP CA C 13 53.967 0.1 . 1 . . . . . . . . 6234 1 141 . 1 1 45 45 ASP CB C 13 40.678 0.1 . 1 . . . . . . . . 6234 1 142 . 1 1 46 46 ARG N N 15 121.036 0.1 . 1 . . . . . . . . 6234 1 143 . 1 1 46 46 ARG H H 1 7.997 0.01 . 1 . . . . . . . . 6234 1 144 . 1 1 46 46 ARG CA C 13 55.949 0.1 . 1 . . . . . . . . 6234 1 145 . 1 1 46 46 ARG CB C 13 29.948 0.1 . 1 . . . . . . . . 6234 1 146 . 1 1 47 47 TYR N N 15 120.818 0.1 . 1 . . . . . . . . 6234 1 147 . 1 1 47 47 TYR H H 1 7.982 0.01 . 1 . . . . . . . . 6234 1 148 . 1 1 47 47 TYR CA C 13 57.428 0.1 . 1 . . . . . . . . 6234 1 149 . 1 1 47 47 TYR CB C 13 38.118 0.1 . 1 . . . . . . . . 6234 1 150 . 1 1 48 48 ASN N N 15 120.625 0.1 . 1 . . . . . . . . 6234 1 151 . 1 1 48 48 ASN H H 1 8.178 0.01 . 1 . . . . . . . . 6234 1 152 . 1 1 48 48 ASN CA C 13 52.752 0.1 . 1 . . . . . . . . 6234 1 153 . 1 1 48 48 ASN CB C 13 38.989 0.1 . 1 . . . . . . . . 6234 1 154 . 1 1 49 49 GLU N N 15 121.411 0.1 . 1 . . . . . . . . 6234 1 155 . 1 1 49 49 GLU H H 1 8.171 0.01 . 1 . . . . . . . . 6234 1 156 . 1 1 49 49 GLU CA C 13 55.560 0.1 . 1 . . . . . . . . 6234 1 157 . 1 1 49 49 GLU CB C 13 30.136 0.1 . 1 . . . . . . . . 6234 1 158 . 1 1 54 54 GLY N N 15 104.066 0.1 . 1 . . . . . . . . 6234 1 159 . 1 1 54 54 GLY H H 1 8.040 0.01 . 1 . . . . . . . . 6234 1 160 . 1 1 54 54 GLY CA C 13 44.819 0.1 . 1 . . . . . . . . 6234 1 161 . 1 1 55 55 GLY N N 15 105.682 0.1 . 1 . . . . . . . . 6234 1 162 . 1 1 55 55 GLY H H 1 8.413 0.01 . 1 . . . . . . . . 6234 1 163 . 1 1 55 55 GLY CA C 13 46.368 0.1 . 1 . . . . . . . . 6234 1 164 . 1 1 56 56 PHE N N 15 119.118 0.1 . 1 . . . . . . . . 6234 1 165 . 1 1 56 56 PHE H H 1 8.808 0.01 . 1 . . . . . . . . 6234 1 166 . 1 1 56 56 PHE CA C 13 55.369 0.1 . 1 . . . . . . . . 6234 1 167 . 1 1 56 56 PHE CB C 13 44.028 0.1 . 1 . . . . . . . . 6234 1 168 . 1 1 57 57 GLY N N 15 107.807 0.1 . 1 . . . . . . . . 6234 1 169 . 1 1 57 57 GLY H H 1 8.930 0.01 . 1 . . . . . . . . 6234 1 170 . 1 1 57 57 GLY CA C 13 46.623 0.1 . 1 . . . . . . . . 6234 1 171 . 1 1 58 58 LEU N N 15 118.158 0.1 . 1 . . . . . . . . 6234 1 172 . 1 1 58 58 LEU H H 1 8.928 0.01 . 1 . . . . . . . . 6234 1 173 . 1 1 58 58 LEU CA C 13 52.967 0.1 . 1 . . . . . . . . 6234 1 174 . 1 1 58 58 LEU CB C 13 45.087 0.1 . 1 . . . . . . . . 6234 1 175 . 1 1 59 59 SER N N 15 114.628 0.1 . 1 . . . . . . . . 6234 1 176 . 1 1 59 59 SER H H 1 8.662 0.01 . 1 . . . . . . . . 6234 1 177 . 1 1 59 59 SER CA C 13 57.408 0.1 . 1 . . . . . . . . 6234 1 178 . 1 1 59 59 SER CB C 13 65.505 0.1 . 1 . . . . . . . . 6234 1 179 . 1 1 60 60 ARG N N 15 116.817 0.1 . 1 . . . . . . . . 6234 1 180 . 1 1 60 60 ARG H H 1 8.731 0.01 . 1 . . . . . . . . 6234 1 181 . 1 1 60 60 ARG CA C 13 54.667 0.1 . 1 . . . . . . . . 6234 1 182 . 1 1 60 60 ARG CB C 13 32.081 0.1 . 1 . . . . . . . . 6234 1 183 . 1 1 61 61 TRP N N 15 121.128 0.1 . 1 . . . . . . . . 6234 1 184 . 1 1 61 61 TRP H H 1 8.262 0.01 . 1 . . . . . . . . 6234 1 185 . 1 1 61 61 TRP CA C 13 54.344 0.1 . 1 . . . . . . . . 6234 1 186 . 1 1 61 61 TRP CB C 13 29.600 0.1 . 1 . . . . . . . . 6234 1 187 . 1 1 62 62 ASP N N 15 123.596 0.1 . 1 . . . . . . . . 6234 1 188 . 1 1 62 62 ASP H H 1 9.282 0.01 . 1 . . . . . . . . 6234 1 189 . 1 1 62 62 ASP CA C 13 52.226 0.1 . 1 . . . . . . . . 6234 1 190 . 1 1 62 62 ASP CB C 13 41.358 0.1 . 1 . . . . . . . . 6234 1 191 . 1 1 63 63 GLU N N 15 118.808 0.1 . 1 . . . . . . . . 6234 1 192 . 1 1 63 63 GLU H H 1 8.999 0.01 . 1 . . . . . . . . 6234 1 193 . 1 1 63 63 GLU CA C 13 58.697 0.1 . 1 . . . . . . . . 6234 1 194 . 1 1 63 63 GLU CB C 13 28.134 0.1 . 1 . . . . . . . . 6234 1 195 . 1 1 64 64 LYS N N 15 119.607 0.1 . 1 . . . . . . . . 6234 1 196 . 1 1 64 64 LYS H H 1 8.016 0.01 . 1 . . . . . . . . 6234 1 197 . 1 1 64 64 LYS CA C 13 56.173 0.1 . 1 . . . . . . . . 6234 1 198 . 1 1 64 64 LYS CB C 13 32.126 0.1 . 1 . . . . . . . . 6234 1 199 . 1 1 65 65 GLY N N 15 108.529 0.1 . 1 . . . . . . . . 6234 1 200 . 1 1 65 65 GLY H H 1 8.261 0.01 . 1 . . . . . . . . 6234 1 201 . 1 1 65 65 GLY CA C 13 44.430 0.1 . 1 . . . . . . . . 6234 1 202 . 1 1 66 66 ASN N N 15 120.955 0.1 . 1 . . . . . . . . 6234 1 203 . 1 1 66 66 ASN H H 1 8.356 0.01 . 1 . . . . . . . . 6234 1 204 . 1 1 66 66 ASN CA C 13 52.210 0.1 . 1 . . . . . . . . 6234 1 205 . 1 1 66 66 ASN CB C 13 37.923 0.1 . 1 . . . . . . . . 6234 1 206 . 1 1 67 67 TRP N N 15 123.348 0.1 . 1 . . . . . . . . 6234 1 207 . 1 1 67 67 TRP H H 1 7.587 0.01 . 1 . . . . . . . . 6234 1 208 . 1 1 67 67 TRP CA C 13 58.472 0.1 . 1 . . . . . . . . 6234 1 209 . 1 1 67 67 TRP CB C 13 30.112 0.1 . 1 . . . . . . . . 6234 1 210 . 1 1 68 68 HIS N N 15 122.995 0.1 . 1 . . . . . . . . 6234 1 211 . 1 1 68 68 HIS H H 1 7.220 0.01 . 1 . . . . . . . . 6234 1 212 . 1 1 68 68 HIS CA C 13 53.631 0.1 . 1 . . . . . . . . 6234 1 213 . 1 1 68 68 HIS CB C 13 34.647 0.1 . 1 . . . . . . . . 6234 1 214 . 1 1 69 69 GLY N N 15 107.702 0.1 . 1 . . . . . . . . 6234 1 215 . 1 1 69 69 GLY H H 1 8.218 0.01 . 1 . . . . . . . . 6234 1 216 . 1 1 69 69 GLY CA C 13 43.757 0.1 . 1 . . . . . . . . 6234 1 217 . 1 1 70 70 LEU N N 15 122.607 0.1 . 1 . . . . . . . . 6234 1 218 . 1 1 70 70 LEU H H 1 8.825 0.01 . 1 . . . . . . . . 6234 1 219 . 1 1 70 70 LEU CA C 13 52.802 0.1 . 1 . . . . . . . . 6234 1 220 . 1 1 70 70 LEU CB C 13 44.989 0.1 . 1 . . . . . . . . 6234 1 221 . 1 1 71 71 TYR N N 15 119.734 0.1 . 1 . . . . . . . . 6234 1 222 . 1 1 71 71 TYR H H 1 8.534 0.01 . 1 . . . . . . . . 6234 1 223 . 1 1 71 71 TYR CA C 13 55.638 0.1 . 1 . . . . . . . . 6234 1 224 . 1 1 71 71 TYR CB C 13 41.209 0.1 . 1 . . . . . . . . 6234 1 225 . 1 1 72 72 ALA N N 15 120.417 0.1 . 1 . . . . . . . . 6234 1 226 . 1 1 72 72 ALA H H 1 8.620 0.01 . 1 . . . . . . . . 6234 1 227 . 1 1 72 72 ALA CA C 13 50.759 0.1 . 1 . . . . . . . . 6234 1 228 . 1 1 72 72 ALA CB C 13 20.615 0.1 . 1 . . . . . . . . 6234 1 229 . 1 1 73 73 MET N N 15 118.841 0.1 . 1 . . . . . . . . 6234 1 230 . 1 1 73 73 MET H H 1 9.109 0.01 . 1 . . . . . . . . 6234 1 231 . 1 1 73 73 MET CA C 13 53.499 0.1 . 1 . . . . . . . . 6234 1 232 . 1 1 73 73 MET CB C 13 37.930 0.1 . 1 . . . . . . . . 6234 1 233 . 1 1 74 74 ALA N N 15 120.157 0.1 . 1 . . . . . . . . 6234 1 234 . 1 1 74 74 ALA H H 1 8.406 0.01 . 1 . . . . . . . . 6234 1 235 . 1 1 74 74 ALA CA C 13 51.298 0.1 . 1 . . . . . . . . 6234 1 236 . 1 1 74 74 ALA CB C 13 22.167 0.1 . 1 . . . . . . . . 6234 1 237 . 1 1 75 75 PHE N N 15 116.566 0.1 . 1 . . . . . . . . 6234 1 238 . 1 1 75 75 PHE H H 1 7.838 0.01 . 1 . . . . . . . . 6234 1 239 . 1 1 75 75 PHE CA C 13 55.063 0.1 . 1 . . . . . . . . 6234 1 240 . 1 1 75 75 PHE CB C 13 42.151 0.1 . 1 . . . . . . . . 6234 1 241 . 1 1 78 78 SER N N 15 114.245 0.1 . 1 . . . . . . . . 6234 1 242 . 1 1 78 78 SER H H 1 8.441 0.01 . 1 . . . . . . . . 6234 1 243 . 1 1 78 78 SER CA C 13 60.513 0.1 . 1 . . . . . . . . 6234 1 244 . 1 1 78 78 SER CB C 13 62.103 0.1 . 1 . . . . . . . . 6234 1 245 . 1 1 79 79 TRP N N 15 123.827 0.1 . 1 . . . . . . . . 6234 1 246 . 1 1 79 79 TRP H H 1 8.379 0.01 . 1 . . . . . . . . 6234 1 247 . 1 1 79 79 TRP CA C 13 56.686 0.1 . 1 . . . . . . . . 6234 1 248 . 1 1 79 79 TRP CB C 13 27.664 0.1 . 1 . . . . . . . . 6234 1 249 . 1 1 80 80 ASN N N 15 116.235 0.1 . 1 . . . . . . . . 6234 1 250 . 1 1 80 80 ASN H H 1 8.340 0.01 . 1 . . . . . . . . 6234 1 251 . 1 1 80 80 ASN CA C 13 54.109 0.1 . 1 . . . . . . . . 6234 1 252 . 1 1 80 80 ASN CB C 13 37.157 0.1 . 1 . . . . . . . . 6234 1 253 . 1 1 81 81 LYS N N 15 120.192 0.1 . 1 . . . . . . . . 6234 1 254 . 1 1 81 81 LYS H H 1 8.123 0.01 . 1 . . . . . . . . 6234 1 255 . 1 1 81 81 LYS CA C 13 53.720 0.1 . 1 . . . . . . . . 6234 1 256 . 1 1 81 81 LYS CB C 13 32.635 0.1 . 1 . . . . . . . . 6234 1 257 . 1 1 82 82 TRP N N 15 122.994 0.1 . 1 . . . . . . . . 6234 1 258 . 1 1 82 82 TRP H H 1 8.689 0.01 . 1 . . . . . . . . 6234 1 259 . 1 1 82 82 TRP CA C 13 57.523 0.1 . 1 . . . . . . . . 6234 1 260 . 1 1 84 84 PRO CA C 13 60.281 0.1 . 1 . . . . . . . . 6234 1 261 . 1 1 84 84 PRO CB C 13 32.785 0.1 . 1 . . . . . . . . 6234 1 262 . 1 1 85 85 ILE N N 15 122.323 0.1 . 1 . . . . . . . . 6234 1 263 . 1 1 85 85 ILE H H 1 9.205 0.01 . 1 . . . . . . . . 6234 1 264 . 1 1 85 85 ILE CA C 13 60.134 0.1 . 1 . . . . . . . . 6234 1 265 . 1 1 85 85 ILE CB C 13 41.070 0.1 . 1 . . . . . . . . 6234 1 266 . 1 1 86 86 ALA N N 15 128.164 0.1 . 1 . . . . . . . . 6234 1 267 . 1 1 86 86 ALA H H 1 8.295 0.01 . 1 . . . . . . . . 6234 1 268 . 1 1 86 86 ALA CA C 13 49.859 0.1 . 1 . . . . . . . . 6234 1 269 . 1 1 86 86 ALA CB C 13 20.826 0.1 . 1 . . . . . . . . 6234 1 270 . 1 1 87 87 GLY N N 15 107.146 0.1 . 1 . . . . . . . . 6234 1 271 . 1 1 87 87 GLY H H 1 7.734 0.01 . 1 . . . . . . . . 6234 1 272 . 1 1 87 87 GLY CA C 13 46.164 0.1 . 1 . . . . . . . . 6234 1 273 . 1 1 88 88 TYR N N 15 118.163 0.1 . 1 . . . . . . . . 6234 1 274 . 1 1 88 88 TYR H H 1 8.737 0.01 . 1 . . . . . . . . 6234 1 275 . 1 1 88 88 TYR CA C 13 54.050 0.1 . 1 . . . . . . . . 6234 1 276 . 1 1 88 88 TYR CB C 13 42.029 0.1 . 1 . . . . . . . . 6234 1 277 . 1 1 89 89 GLY N N 15 120.566 0.1 . 1 . . . . . . . . 6234 1 278 . 1 1 89 89 GLY H H 1 9.453 0.01 . 1 . . . . . . . . 6234 1 279 . 1 1 89 89 GLY CA C 13 43.455 0.1 . 1 . . . . . . . . 6234 1 280 . 1 1 90 90 TRP N N 15 122.374 0.1 . 1 . . . . . . . . 6234 1 281 . 1 1 90 90 TRP H H 1 8.115 0.01 . 1 . . . . . . . . 6234 1 282 . 1 1 90 90 TRP CA C 13 54.655 0.1 . 1 . . . . . . . . 6234 1 283 . 1 1 90 90 TRP CB C 13 31.076 0.1 . 1 . . . . . . . . 6234 1 284 . 1 1 91 91 GLU N N 15 121.362 0.1 . 1 . . . . . . . . 6234 1 285 . 1 1 91 91 GLU H H 1 7.709 0.01 . 1 . . . . . . . . 6234 1 286 . 1 1 91 91 GLU CA C 13 54.854 0.1 . 1 . . . . . . . . 6234 1 287 . 1 1 91 91 GLU CB C 13 33.762 0.1 . 1 . . . . . . . . 6234 1 288 . 1 1 92 92 SER N N 15 122.231 0.1 . 1 . . . . . . . . 6234 1 289 . 1 1 92 92 SER H H 1 7.464 0.01 . 1 . . . . . . . . 6234 1 290 . 1 1 92 92 SER CA C 13 57.243 0.1 . 1 . . . . . . . . 6234 1 291 . 1 1 92 92 SER CB C 13 62.243 0.1 . 1 . . . . . . . . 6234 1 292 . 1 1 93 93 THR N N 15 123.757 0.1 . 1 . . . . . . . . 6234 1 293 . 1 1 93 93 THR H H 1 8.001 0.01 . 1 . . . . . . . . 6234 1 294 . 1 1 93 93 THR CA C 13 61.899 0.1 . 1 . . . . . . . . 6234 1 295 . 1 1 93 93 THR CB C 13 70.070 0.1 . 1 . . . . . . . . 6234 1 296 . 1 1 94 94 TRP N N 15 128.979 0.1 . 1 . . . . . . . . 6234 1 297 . 1 1 94 94 TRP H H 1 9.986 0.01 . 1 . . . . . . . . 6234 1 298 . 1 1 94 94 TRP CA C 13 57.697 0.1 . 1 . . . . . . . . 6234 1 299 . 1 1 94 94 TRP CB C 13 32.585 0.1 . 1 . . . . . . . . 6234 1 300 . 1 1 95 95 ARG N N 15 122.608 0.1 . 1 . . . . . . . . 6234 1 301 . 1 1 95 95 ARG H H 1 8.807 0.01 . 1 . . . . . . . . 6234 1 302 . 1 1 95 95 ARG CA C 13 53.039 0.1 . 1 . . . . . . . . 6234 1 303 . 1 1 95 95 ARG CB C 13 29.545 0.1 . 1 . . . . . . . . 6234 1 304 . 1 1 96 96 PRO CA C 13 63.441 0.1 . 1 . . . . . . . . 6234 1 305 . 1 1 96 96 PRO CB C 13 32.191 0.1 . 1 . . . . . . . . 6234 1 306 . 1 1 97 97 LEU N N 15 120.178 0.1 . 1 . . . . . . . . 6234 1 307 . 1 1 97 97 LEU H H 1 8.653 0.01 . 1 . . . . . . . . 6234 1 308 . 1 1 97 97 LEU CA C 13 52.760 0.1 . 1 . . . . . . . . 6234 1 309 . 1 1 97 97 LEU CB C 13 41.729 0.1 . 1 . . . . . . . . 6234 1 310 . 1 1 98 98 ALA N N 15 122.588 0.1 . 1 . . . . . . . . 6234 1 311 . 1 1 98 98 ALA H H 1 8.512 0.01 . 1 . . . . . . . . 6234 1 312 . 1 1 98 98 ALA CA C 13 54.107 0.1 . 1 . . . . . . . . 6234 1 313 . 1 1 98 98 ALA CB C 13 17.665 0.1 . 1 . . . . . . . . 6234 1 314 . 1 1 99 99 ASP N N 15 114.423 0.1 . 1 . . . . . . . . 6234 1 315 . 1 1 99 99 ASP H H 1 7.054 0.01 . 1 . . . . . . . . 6234 1 316 . 1 1 99 99 ASP CA C 13 52.766 0.1 . 1 . . . . . . . . 6234 1 317 . 1 1 99 99 ASP CB C 13 39.770 0.1 . 1 . . . . . . . . 6234 1 318 . 1 1 100 100 GLU N N 15 128.010 0.1 . 1 . . . . . . . . 6234 1 319 . 1 1 100 100 GLU H H 1 8.596 0.01 . 1 . . . . . . . . 6234 1 320 . 1 1 100 100 GLU CA C 13 57.198 0.1 . 1 . . . . . . . . 6234 1 321 . 1 1 100 100 GLU CB C 13 28.518 0.1 . 1 . . . . . . . . 6234 1 322 . 1 1 101 101 ASN N N 15 116.670 0.1 . 1 . . . . . . . . 6234 1 323 . 1 1 101 101 ASN H H 1 8.566 0.01 . 1 . . . . . . . . 6234 1 324 . 1 1 101 101 ASN CA C 13 54.250 0.1 . 1 . . . . . . . . 6234 1 325 . 1 1 101 101 ASN CB C 13 37.268 0.1 . 1 . . . . . . . . 6234 1 326 . 1 1 102 102 PHE N N 15 121.250 0.1 . 1 . . . . . . . . 6234 1 327 . 1 1 102 102 PHE H H 1 7.298 0.01 . 1 . . . . . . . . 6234 1 328 . 1 1 102 102 PHE CA C 13 57.560 0.1 . 1 . . . . . . . . 6234 1 329 . 1 1 102 102 PHE CB C 13 38.524 0.1 . 1 . . . . . . . . 6234 1 330 . 1 1 103 103 HIS N N 15 122.643 0.1 . 1 . . . . . . . . 6234 1 331 . 1 1 103 103 HIS H H 1 7.778 0.01 . 1 . . . . . . . . 6234 1 332 . 1 1 103 103 HIS CA C 13 51.918 0.1 . 1 . . . . . . . . 6234 1 333 . 1 1 103 103 HIS CB C 13 29.907 0.1 . 1 . . . . . . . . 6234 1 334 . 1 1 104 104 LEU N N 15 122.410 0.1 . 1 . . . . . . . . 6234 1 335 . 1 1 104 104 LEU H H 1 8.688 0.01 . 1 . . . . . . . . 6234 1 336 . 1 1 104 104 LEU CA C 13 53.848 0.1 . 1 . . . . . . . . 6234 1 337 . 1 1 104 104 LEU CB C 13 45.266 0.1 . 1 . . . . . . . . 6234 1 338 . 1 1 105 105 GLY N N 15 111.469 0.1 . 1 . . . . . . . . 6234 1 339 . 1 1 105 105 GLY H H 1 8.881 0.01 . 1 . . . . . . . . 6234 1 340 . 1 1 105 105 GLY CA C 13 45.098 0.1 . 1 . . . . . . . . 6234 1 341 . 1 1 106 106 LEU N N 15 119.570 0.1 . 1 . . . . . . . . 6234 1 342 . 1 1 106 106 LEU H H 1 8.298 0.01 . 1 . . . . . . . . 6234 1 343 . 1 1 106 106 LEU CA C 13 53.721 0.1 . 1 . . . . . . . . 6234 1 344 . 1 1 106 106 LEU CB C 13 46.935 0.1 . 1 . . . . . . . . 6234 1 345 . 1 1 107 107 GLY N N 15 113.768 0.1 . 1 . . . . . . . . 6234 1 346 . 1 1 107 107 GLY H H 1 9.488 0.01 . 1 . . . . . . . . 6234 1 347 . 1 1 107 107 GLY CA C 13 46.669 0.1 . 1 . . . . . . . . 6234 1 348 . 1 1 108 108 PHE N N 15 121.805 0.1 . 1 . . . . . . . . 6234 1 349 . 1 1 108 108 PHE H H 1 9.174 0.01 . 1 . . . . . . . . 6234 1 350 . 1 1 108 108 PHE CA C 13 55.827 0.1 . 1 . . . . . . . . 6234 1 351 . 1 1 108 108 PHE CB C 13 41.909 0.1 . 1 . . . . . . . . 6234 1 352 . 1 1 109 109 THR N N 15 113.245 0.1 . 1 . . . . . . . . 6234 1 353 . 1 1 109 109 THR H H 1 9.539 0.01 . 1 . . . . . . . . 6234 1 354 . 1 1 109 109 THR CA C 13 57.471 0.1 . 1 . . . . . . . . 6234 1 355 . 1 1 109 109 THR CB C 13 70.734 0.1 . 1 . . . . . . . . 6234 1 356 . 1 1 110 110 ALA N N 15 131.341 0.1 . 1 . . . . . . . . 6234 1 357 . 1 1 110 110 ALA H H 1 8.602 0.01 . 1 . . . . . . . . 6234 1 358 . 1 1 110 110 ALA CA C 13 49.407 0.1 . 1 . . . . . . . . 6234 1 359 . 1 1 110 110 ALA CB C 13 21.447 0.1 . 1 . . . . . . . . 6234 1 360 . 1 1 111 111 GLY N N 15 109.014 0.1 . 1 . . . . . . . . 6234 1 361 . 1 1 111 111 GLY H H 1 8.974 0.01 . 1 . . . . . . . . 6234 1 362 . 1 1 111 111 GLY CA C 13 45.315 0.1 . 1 . . . . . . . . 6234 1 363 . 1 1 112 112 VAL N N 15 115.566 0.1 . 1 . . . . . . . . 6234 1 364 . 1 1 112 112 VAL H H 1 9.099 0.01 . 1 . . . . . . . . 6234 1 365 . 1 1 112 112 VAL CA C 13 58.985 0.1 . 1 . . . . . . . . 6234 1 366 . 1 1 112 112 VAL CB C 13 34.790 0.1 . 1 . . . . . . . . 6234 1 367 . 1 1 113 113 THR N N 15 117.187 0.1 . 1 . . . . . . . . 6234 1 368 . 1 1 113 113 THR H H 1 8.492 0.01 . 1 . . . . . . . . 6234 1 369 . 1 1 113 113 THR CA C 13 57.982 0.1 . 1 . . . . . . . . 6234 1 370 . 1 1 113 113 THR CB C 13 70.982 0.1 . 1 . . . . . . . . 6234 1 371 . 1 1 114 114 ALA N N 15 124.896 0.1 . 1 . . . . . . . . 6234 1 372 . 1 1 114 114 ALA H H 1 7.709 0.01 . 1 . . . . . . . . 6234 1 373 . 1 1 114 114 ALA CA C 13 51.257 0.1 . 1 . . . . . . . . 6234 1 374 . 1 1 114 114 ALA CB C 13 21.044 0.1 . 1 . . . . . . . . 6234 1 375 . 1 1 115 115 ARG N N 15 119.230 0.1 . 1 . . . . . . . . 6234 1 376 . 1 1 115 115 ARG H H 1 8.326 0.01 . 1 . . . . . . . . 6234 1 377 . 1 1 117 117 ASN N N 15 118.417 0.1 . 1 . . . . . . . . 6234 1 378 . 1 1 117 117 ASN H H 1 8.456 0.01 . 1 . . . . . . . . 6234 1 379 . 1 1 117 117 ASN CA C 13 53.158 0.1 . 1 . . . . . . . . 6234 1 380 . 1 1 117 117 ASN CB C 13 37.911 0.1 . 1 . . . . . . . . 6234 1 381 . 1 1 128 128 PRO CA C 13 61.943 0.1 . 1 . . . . . . . . 6234 1 382 . 1 1 128 128 PRO CB C 13 32.223 0.1 . 1 . . . . . . . . 6234 1 383 . 1 1 129 129 LEU N N 15 122.782 0.1 . 1 . . . . . . . . 6234 1 384 . 1 1 129 129 LEU H H 1 8.009 0.01 . 1 . . . . . . . . 6234 1 385 . 1 1 129 129 LEU CA C 13 53.563 0.1 . 1 . . . . . . . . 6234 1 386 . 1 1 129 129 LEU CB C 13 47.048 0.1 . 1 . . . . . . . . 6234 1 387 . 1 1 130 130 ALA N N 15 122.705 0.1 . 1 . . . . . . . . 6234 1 388 . 1 1 130 130 ALA H H 1 8.240 0.01 . 1 . . . . . . . . 6234 1 389 . 1 1 130 130 ALA CA C 13 51.056 0.1 . 1 . . . . . . . . 6234 1 390 . 1 1 130 130 ALA CB C 13 22.801 0.1 . 1 . . . . . . . . 6234 1 391 . 1 1 131 131 SER N N 15 113.014 0.1 . 1 . . . . . . . . 6234 1 392 . 1 1 131 131 SER H H 1 8.763 0.01 . 1 . . . . . . . . 6234 1 393 . 1 1 131 131 SER CA C 13 57.520 0.1 . 1 . . . . . . . . 6234 1 394 . 1 1 131 131 SER CB C 13 65.294 0.1 . 1 . . . . . . . . 6234 1 395 . 1 1 132 132 VAL N N 15 115.644 0.1 . 1 . . . . . . . . 6234 1 396 . 1 1 132 132 VAL H H 1 8.681 0.01 . 1 . . . . . . . . 6234 1 397 . 1 1 132 132 VAL CA C 13 59.403 0.1 . 1 . . . . . . . . 6234 1 398 . 1 1 132 132 VAL CB C 13 33.920 0.1 . 1 . . . . . . . . 6234 1 399 . 1 1 133 133 GLY N N 15 111.469 0.1 . 1 . . . . . . . . 6234 1 400 . 1 1 133 133 GLY H H 1 8.881 0.01 . 1 . . . . . . . . 6234 1 401 . 1 1 133 133 GLY CA C 13 45.501 0.1 . 1 . . . . . . . . 6234 1 402 . 1 1 134 134 TYR N N 15 119.599 0.1 . 1 . . . . . . . . 6234 1 403 . 1 1 134 134 TYR H H 1 8.388 0.01 . 1 . . . . . . . . 6234 1 404 . 1 1 134 134 TYR CA C 13 56.557 0.1 . 1 . . . . . . . . 6234 1 405 . 1 1 134 134 TYR CB C 13 41.083 0.1 . 1 . . . . . . . . 6234 1 406 . 1 1 135 135 GLY N N 15 116.038 0.1 . 1 . . . . . . . . 6234 1 407 . 1 1 135 135 GLY H H 1 8.770 0.01 . 1 . . . . . . . . 6234 1 408 . 1 1 135 135 GLY CA C 13 44.149 0.1 . 1 . . . . . . . . 6234 1 409 . 1 1 136 136 PRO CA C 13 63.645 0.1 . 1 . . . . . . . . 6234 1 410 . 1 1 136 136 PRO CB C 13 32.578 0.1 . 1 . . . . . . . . 6234 1 411 . 1 1 137 137 VAL N N 15 123.867 0.1 . 1 . . . . . . . . 6234 1 412 . 1 1 137 137 VAL H H 1 7.649 0.01 . 1 . . . . . . . . 6234 1 413 . 1 1 137 137 VAL CA C 13 61.730 0.1 . 1 . . . . . . . . 6234 1 414 . 1 1 137 137 VAL CB C 13 32.587 0.1 . 1 . . . . . . . . 6234 1 415 . 1 1 138 138 THR N N 15 122.969 0.1 . 1 . . . . . . . . 6234 1 416 . 1 1 138 138 THR H H 1 8.084 0.01 . 1 . . . . . . . . 6234 1 417 . 1 1 138 138 THR CA C 13 61.776 0.1 . 1 . . . . . . . . 6234 1 418 . 1 1 138 138 THR CB C 13 70.825 0.1 . 1 . . . . . . . . 6234 1 419 . 1 1 139 139 PHE N N 15 130.350 0.1 . 1 . . . . . . . . 6234 1 420 . 1 1 139 139 PHE H H 1 9.155 0.01 . 1 . . . . . . . . 6234 1 421 . 1 1 139 139 PHE CA C 13 56.619 0.1 . 1 . . . . . . . . 6234 1 422 . 1 1 139 139 PHE CB C 13 39.321 0.1 . 1 . . . . . . . . 6234 1 423 . 1 1 140 140 GLN N N 15 130.509 0.1 . 1 . . . . . . . . 6234 1 424 . 1 1 140 140 GLN H H 1 8.278 0.01 . 1 . . . . . . . . 6234 1 425 . 1 1 140 140 GLN CA C 13 53.084 0.1 . 1 . . . . . . . . 6234 1 426 . 1 1 140 140 GLN CB C 13 32.860 0.1 . 1 . . . . . . . . 6234 1 427 . 1 1 141 141 MET N N 15 119.971 0.1 . 1 . . . . . . . . 6234 1 428 . 1 1 141 141 MET H H 1 8.603 0.01 . 1 . . . . . . . . 6234 1 429 . 1 1 141 141 MET CA C 13 53.532 0.1 . 1 . . . . . . . . 6234 1 430 . 1 1 141 141 MET CB C 13 37.053 0.1 . 1 . . . . . . . . 6234 1 431 . 1 1 142 142 THR N N 15 112.844 0.1 . 1 . . . . . . . . 6234 1 432 . 1 1 142 142 THR H H 1 8.421 0.01 . 1 . . . . . . . . 6234 1 433 . 1 1 142 142 THR CA C 13 59.356 0.1 . 1 . . . . . . . . 6234 1 434 . 1 1 142 142 THR CB C 13 70.295 0.1 . 1 . . . . . . . . 6234 1 435 . 1 1 143 143 TYR N N 15 124.320 0.1 . 1 . . . . . . . . 6234 1 436 . 1 1 143 143 TYR H H 1 7.742 0.01 . 1 . . . . . . . . 6234 1 437 . 1 1 143 143 TYR CA C 13 55.441 0.1 . 1 . . . . . . . . 6234 1 438 . 1 1 143 143 TYR CB C 13 42.535 0.1 . 1 . . . . . . . . 6234 1 439 . 1 1 144 144 ILE N N 15 125.719 0.1 . 1 . . . . . . . . 6234 1 440 . 1 1 144 144 ILE H H 1 8.142 0.01 . 1 . . . . . . . . 6234 1 441 . 1 1 144 144 ILE CA C 13 56.992 0.1 . 1 . . . . . . . . 6234 1 442 . 1 1 144 144 ILE CB C 13 37.098 0.1 . 1 . . . . . . . . 6234 1 443 . 1 1 157 157 TRP N N 15 120.793 0.1 . 1 . . . . . . . . 6234 1 444 . 1 1 157 157 TRP H H 1 8.769 0.01 . 1 . . . . . . . . 6234 1 445 . 1 1 157 157 TRP CA C 13 55.386 0.1 . 1 . . . . . . . . 6234 1 446 . 1 1 157 157 TRP CB C 13 31.260 0.1 . 1 . . . . . . . . 6234 1 447 . 1 1 158 158 MET N N 15 116.988 0.1 . 1 . . . . . . . . 6234 1 448 . 1 1 158 158 MET H H 1 8.822 0.01 . 1 . . . . . . . . 6234 1 449 . 1 1 158 158 MET CA C 13 55.431 0.1 . 1 . . . . . . . . 6234 1 450 . 1 1 158 158 MET CB C 13 31.385 0.1 . 1 . . . . . . . . 6234 1 451 . 1 1 159 159 ARG N N 15 126.571 0.1 . 1 . . . . . . . . 6234 1 452 . 1 1 159 159 ARG H H 1 9.322 0.01 . 1 . . . . . . . . 6234 1 453 . 1 1 159 159 ARG CA C 13 53.417 0.1 . 1 . . . . . . . . 6234 1 454 . 1 1 159 159 ARG CB C 13 32.760 0.1 . 1 . . . . . . . . 6234 1 455 . 1 1 160 160 PHE N N 15 128.341 0.1 . 1 . . . . . . . . 6234 1 456 . 1 1 160 160 PHE H H 1 9.336 0.01 . 1 . . . . . . . . 6234 1 457 . 1 1 160 160 PHE CA C 13 55.582 0.1 . 1 . . . . . . . . 6234 1 458 . 1 1 160 160 PHE CB C 13 40.899 0.1 . 1 . . . . . . . . 6234 1 459 . 1 1 161 161 GLN N N 15 126.819 0.1 . 1 . . . . . . . . 6234 1 460 . 1 1 161 161 GLN H H 1 8.516 0.01 . 1 . . . . . . . . 6234 1 461 . 1 1 161 161 GLN CA C 13 55.257 0.1 . 1 . . . . . . . . 6234 1 462 . 1 1 161 161 GLN CB C 13 31.461 0.1 . 1 . . . . . . . . 6234 1 463 . 1 1 162 162 PHE N N 15 124.822 0.1 . 1 . . . . . . . . 6234 1 464 . 1 1 162 162 PHE H H 1 9.060 0.01 . 1 . . . . . . . . 6234 1 465 . 1 1 162 162 PHE CA C 13 56.805 0.1 . 1 . . . . . . . . 6234 1 466 . 1 1 162 162 PHE CB C 13 41.081 0.1 . 1 . . . . . . . . 6234 1 stop_ save_