################################### # 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 11596 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $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 '3D HNCO' 1 $sample_1 isotropic 11596 1 2 '2D 1H-15N HSQC' 1 $sample_1 isotropic 11596 1 3 '3D HNCA' 1 $sample_1 isotropic 11596 1 4 '3D HNCACB' 1 $sample_1 isotropic 11596 1 5 '3D CBCA(CO)NH' 1 $sample_1 isotropic 11596 1 6 '3D HN(CO)CA' 1 $sample_1 isotropic 11596 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 THR H H 1 8.147 . . 1 . . . . . 2 T H . 11596 1 2 . 1 . 1 2 2 THR C C 13 172.186 . . 1 . . . . . 2 T CO . 11596 1 3 . 1 . 1 2 2 THR CA C 13 61.111 . . 1 . . . . . 2 T CA . 11596 1 4 . 1 . 1 2 2 THR CB C 13 70.317 . . 1 . . . . . 2 T CB . 11596 1 5 . 1 . 1 2 2 THR N N 15 115.776 . . 1 . . . . . 2 T N . 11596 1 6 . 1 . 1 3 3 TYR H H 1 8.247 . . 1 . . . . . 3 Y H . 11596 1 7 . 1 . 1 3 3 TYR C C 13 174.264 . . 1 . . . . . 3 Y CO . 11596 1 8 . 1 . 1 3 3 TYR CA C 13 57.033 . . 1 . . . . . 3 Y CA . 11596 1 9 . 1 . 1 3 3 TYR CB C 13 41.913 . . 1 . . . . . 3 Y CB . 11596 1 10 . 1 . 1 3 3 TYR N N 15 124.875 . . 1 . . . . . 3 Y N . 11596 1 11 . 1 . 1 4 4 LYS H H 1 9.112 . . 1 . . . . . 4 K H . 11596 1 12 . 1 . 1 4 4 LYS C C 13 176.556 . . 1 . . . . . 4 K CO . 11596 1 13 . 1 . 1 4 4 LYS CA C 13 55.189 . . 1 . . . . . 4 K CA . 11596 1 14 . 1 . 1 4 4 LYS CB C 13 32.438 . . 1 . . . . . 4 K CB . 11596 1 15 . 1 . 1 4 4 LYS N N 15 121.187 . . 1 . . . . . 4 K N . 11596 1 16 . 1 . 1 5 5 VAL H H 1 9.558 . . 1 . . . . . 5 V H . 11596 1 17 . 1 . 1 5 5 VAL C C 13 174.796 . . 1 . . . . . 5 V CO . 11596 1 18 . 1 . 1 5 5 VAL CA C 13 61.017 . . 1 . . . . . 5 V CA . 11596 1 19 . 1 . 1 5 5 VAL CB C 13 33.246 . . 1 . . . . . 5 V CB . 11596 1 20 . 1 . 1 5 5 VAL N N 15 127.94 . . 1 . . . . . 5 V N . 11596 1 21 . 1 . 1 6 6 THR H H 1 9.374 . . 1 . . . . . 6 T H . 11596 1 22 . 1 . 1 6 6 THR C C 13 172.808 . . 1 . . . . . 6 T CO . 11596 1 23 . 1 . 1 6 6 THR CA C 13 62.312 . . 1 . . . . . 6 T CA . 11596 1 24 . 1 . 1 6 6 THR CB C 13 69.496 . . 1 . . . . . 6 T CB . 11596 1 25 . 1 . 1 6 6 THR N N 15 125.908 . . 1 . . . . . 6 T N . 11596 1 26 . 1 . 1 7 7 LEU H H 1 9.352 . . 1 . . . . . 7 L H . 11596 1 27 . 1 . 1 7 7 LEU C C 13 174.914 . . 1 . . . . . 7 L CO . 11596 1 28 . 1 . 1 7 7 LEU CA C 13 52.97 . . 1 . . . . . 7 L CA . 11596 1 29 . 1 . 1 7 7 LEU CB C 13 41.762 . . 1 . . . . . 7 L CB . 11596 1 30 . 1 . 1 7 7 LEU N N 15 130.039 . . 1 . . . . . 7 L N . 11596 1 31 . 1 . 1 8 8 VAL H H 1 9.232 . . 1 . . . . . 8 V H . 11596 1 32 . 1 . 1 8 8 VAL C C 13 175.842 . . 1 . . . . . 8 V CO . 11596 1 33 . 1 . 1 8 8 VAL CA C 13 61.046 . . 1 . . . . . 8 V CA . 11596 1 34 . 1 . 1 8 8 VAL CB C 13 32.862 . . 1 . . . . . 8 V CB . 11596 1 35 . 1 . 1 8 8 VAL N N 15 126.113 . . 1 . . . . . 8 V N . 11596 1 36 . 1 . 1 9 9 ARG H H 1 8.866 . . 1 . . . . . 9 R H . 11596 1 37 . 1 . 1 9 9 ARG C C 13 177.784 . . 1 . . . . . 9 R CO . 11596 1 38 . 1 . 1 9 9 ARG CA C 13 53.401 . . 1 . . . . . 9 R CA . 11596 1 39 . 1 . 1 9 9 ARG CB C 13 27.581 . . 1 . . . . . 9 R CB . 11596 1 40 . 1 . 1 9 9 ARG N N 15 125.971 . . 1 . . . . . 9 R N . 11596 1 41 . 1 . 1 10 10 PRO C C 13 176.409 . . 1 . . . . . 10 P CO . 11596 1 42 . 1 . 1 10 10 PRO CA C 13 65.445 . . 1 . . . . . 10 P CA . 11596 1 43 . 1 . 1 10 10 PRO CB C 13 31.89 . . 1 . . . . . 10 P CB . 11596 1 44 . 1 . 1 11 11 ASP H H 1 7.511 . . 1 . . . . . 11 D H . 11596 1 45 . 1 . 1 11 11 ASP C C 13 177.109 . . 1 . . . . . 11 D CO . 11596 1 46 . 1 . 1 11 11 ASP CA C 13 53.49 . . 1 . . . . . 11 D CA . 11596 1 47 . 1 . 1 11 11 ASP CB C 13 39.572 . . 1 . . . . . 11 D CB . 11596 1 48 . 1 . 1 11 11 ASP N N 15 113.206 . . 1 . . . . . 11 D N . 11596 1 49 . 1 . 1 12 12 GLY H H 1 8.492 . . 1 . . . . . 12 G H . 11596 1 50 . 1 . 1 12 12 GLY C C 13 174.513 . . 1 . . . . . 12 G CO . 11596 1 51 . 1 . 1 12 12 GLY CA C 13 44.952 . . 1 . . . . . 12 G CA . 11596 1 52 . 1 . 1 12 12 GLY N N 15 109.727 . . 1 . . . . . 12 G N . 11596 1 53 . 1 . 1 13 13 SER H H 1 8.318 . . 1 . . . . . 13 S H . 11596 1 54 . 1 . 1 13 13 SER C C 13 172.447 . . 1 . . . . . 13 S CO . 11596 1 55 . 1 . 1 13 13 SER CA C 13 58.961 . . 1 . . . . . 13 S CA . 11596 1 56 . 1 . 1 13 13 SER CB C 13 63.997 . . 1 . . . . . 13 S CB . 11596 1 57 . 1 . 1 13 13 SER N N 15 118.51 . . 1 . . . . . 13 S N . 11596 1 58 . 1 . 1 14 14 GLU H H 1 8.387 . . 1 . . . . . 14 E H . 11596 1 59 . 1 . 1 14 14 GLU C C 13 176.206 . . 1 . . . . . 14 E CO . 11596 1 60 . 1 . 1 14 14 GLU CA C 13 54.722 . . 1 . . . . . 14 E CA . 11596 1 61 . 1 . 1 14 14 GLU CB C 13 33.419 . . 1 . . . . . 14 E CB . 11596 1 62 . 1 . 1 14 14 GLU N N 15 118.067 . . 1 . . . . . 14 E N . 11596 1 63 . 1 . 1 15 15 THR H H 1 8.496 . . 1 . . . . . 15 T H . 11596 1 64 . 1 . 1 15 15 THR C C 13 172.631 . . 1 . . . . . 15 T CO . 11596 1 65 . 1 . 1 15 15 THR CA C 13 61.992 . . 1 . . . . . 15 T CA . 11596 1 66 . 1 . 1 15 15 THR CB C 13 71.737 . . 1 . . . . . 15 T CB . 11596 1 67 . 1 . 1 15 15 THR N N 15 118.517 . . 1 . . . . . 15 T N . 11596 1 68 . 1 . 1 16 16 THR H H 1 8.959 . . 1 . . . . . 16 T H . 11596 1 69 . 1 . 1 16 16 THR C C 13 173.631 . . 1 . . . . . 16 T CO . 11596 1 70 . 1 . 1 16 16 THR CA C 13 62.341 . . 1 . . . . . 16 T CA . 11596 1 71 . 1 . 1 16 16 THR CB C 13 69.917 . . 1 . . . . . 16 T CB . 11596 1 72 . 1 . 1 16 16 THR N N 15 124.661 . . 1 . . . . . 16 T N . 11596 1 73 . 1 . 1 17 17 ILE H H 1 9.018 . . 1 . . . . . 17 I H . 11596 1 74 . 1 . 1 17 17 ILE C C 13 173.165 . . 1 . . . . . 17 I CO . 11596 1 75 . 1 . 1 17 17 ILE CA C 13 58.957 . . 1 . . . . . 17 I CA . 11596 1 76 . 1 . 1 17 17 ILE CB C 13 41.572 . . 1 . . . . . 17 I CB . 11596 1 77 . 1 . 1 17 17 ILE N N 15 122.121 . . 1 . . . . . 17 I N . 11596 1 78 . 1 . 1 18 18 ASP H H 1 8.51 . . 1 . . . . . 18 D H . 11596 1 79 . 1 . 1 18 18 ASP C C 13 175.504 . . 1 . . . . . 18 D CO . 11596 1 80 . 1 . 1 18 18 ASP CA C 13 53.54 . . 1 . . . . . 18 D CA . 11596 1 81 . 1 . 1 18 18 ASP CB C 13 41.718 . . 1 . . . . . 18 D CB . 11596 1 82 . 1 . 1 18 18 ASP N N 15 123.205 . . 1 . . . . . 18 D N . 11596 1 83 . 1 . 1 19 19 VAL H H 1 9.513 . . 1 . . . . . 19 V H . 11596 1 84 . 1 . 1 19 19 VAL C C 13 173.614 . . 1 . . . . . 19 V CO . 11596 1 85 . 1 . 1 19 19 VAL CA C 13 58.939 . . 1 . . . . . 19 V CA . 11596 1 86 . 1 . 1 19 19 VAL CB C 13 35.125 . . 1 . . . . . 19 V CB . 11596 1 87 . 1 . 1 19 19 VAL N N 15 124.296 . . 1 . . . . . 19 V N . 11596 1 88 . 1 . 1 20 20 PRO C C 13 179.05 . . 1 . . . . . 20 P CO . 11596 1 89 . 1 . 1 20 20 PRO CA C 13 57.934 . . 1 . . . . . 20 P CA . 11596 1 90 . 1 . 1 20 20 PRO CB C 13 29.576 . . 1 . . . . . 20 P CB . 11596 1 91 . 1 . 1 21 21 GLU H H 1 7.369 . . 1 . . . . . 21 E H . 11596 1 92 . 1 . 1 21 21 GLU C C 13 177.807 . . 1 . . . . . 21 E CO . 11596 1 93 . 1 . 1 21 21 GLU CA C 13 66.009 . . 1 . . . . . 21 E CA . 11596 1 94 . 1 . 1 21 21 GLU CB C 13 31.449 . . 1 . . . . . 21 E CB . 11596 1 95 . 1 . 1 21 21 GLU N N 15 120.124 . . 1 . . . . . 21 E N . 11596 1 96 . 1 . 1 22 22 ASP H H 1 8.285 . . 1 . . . . . 22 D H . 11596 1 97 . 1 . 1 22 22 ASP C C 13 179.263 . . 1 . . . . . 22 D CO . 11596 1 98 . 1 . 1 22 22 ASP CA C 13 55.963 . . 1 . . . . . 22 D CA . 11596 1 99 . 1 . 1 22 22 ASP CB C 13 18.465 . . 1 . . . . . 22 D CB . 11596 1 100 . 1 . 1 22 22 ASP N N 15 122.124 . . 1 . . . . . 22 D N . 11596 1 101 . 1 . 1 23 23 GLU H H 1 8.612 . . 1 . . . . . 23 E H . 11596 1 102 . 1 . 1 23 23 GLU C C 13 181.09 . . 1 . . . . . 23 E CO . 11596 1 103 . 1 . 1 23 23 GLU CA C 13 59.244 . . 1 . . . . . 23 E CA . 11596 1 104 . 1 . 1 23 23 GLU CB C 13 30.068 . . 1 . . . . . 23 E CB . 11596 1 105 . 1 . 1 23 23 GLU N N 15 117.716 . . 1 . . . . . 23 E N . 11596 1 106 . 1 . 1 24 24 TYR H H 1 7.869 . . 1 . . . . . 24 Y H . 11596 1 107 . 1 . 1 24 24 TYR C C 13 176.043 . . 1 . . . . . 24 Y CO . 11596 1 108 . 1 . 1 24 24 TYR CA C 13 60.843 . . 1 . . . . . 24 Y CA . 11596 1 109 . 1 . 1 24 24 TYR CB C 13 43.704 . . 1 . . . . . 24 Y CB . 11596 1 110 . 1 . 1 24 24 TYR N N 15 122.896 . . 1 . . . . . 24 Y N . 11596 1 111 . 1 . 1 25 25 ILE H H 1 10.452 . . 1 . . . . . 25 I H . 11596 1 112 . 1 . 1 25 25 ILE C C 13 178.073 . . 1 . . . . . 25 I CO . 11596 1 113 . 1 . 1 25 25 ILE CA C 13 54.384 . . 1 . . . . . 25 I CA . 11596 1 114 . 1 . 1 25 25 ILE CB C 13 42.44 . . 1 . . . . . 25 I CB . 11596 1 115 . 1 . 1 25 25 ILE N N 15 121.026 . . 1 . . . . . 25 I N . 11596 1 116 . 1 . 1 26 26 LEU H H 1 8.654 . . 1 . . . . . 26 L H . 11596 1 117 . 1 . 1 26 26 LEU C C 13 175.966 . . 1 . . . . . 26 L CO . 11596 1 118 . 1 . 1 26 26 LEU CA C 13 51.974 . . 1 . . . . . 26 L CA . 11596 1 119 . 1 . 1 26 26 LEU CB C 13 41.328 . . 1 . . . . . 26 L CB . 11596 1 120 . 1 . 1 26 26 LEU N N 15 122.552 . . 1 . . . . . 26 L N . 11596 1 121 . 1 . 1 27 27 ASP H H 1 8.283 . . 1 . . . . . 27 D H . 11596 1 122 . 1 . 1 27 27 ASP C C 13 178.812 . . 1 . . . . . 27 D CO . 11596 1 123 . 1 . 1 27 27 ASP CA C 13 57.965 . . 1 . . . . . 27 D CA . 11596 1 124 . 1 . 1 27 27 ASP CB C 13 40.399 . . 1 . . . . . 27 D CB . 11596 1 125 . 1 . 1 27 27 ASP N N 15 116.62 . . 1 . . . . . 27 D N . 11596 1 126 . 1 . 1 28 28 VAL H H 1 8.111 . . 1 . . . . . 28 V H . 11596 1 127 . 1 . 1 28 28 VAL C C 13 178.455 . . 1 . . . . . 28 V CO . 11596 1 128 . 1 . 1 28 28 VAL CA C 13 57.508 . . 1 . . . . . 28 V CA . 11596 1 129 . 1 . 1 28 28 VAL N N 15 121.392 . . 1 . . . . . 28 V N . 11596 1 130 . 1 . 1 29 29 ALA H H 1 8.611 . . 1 . . . . . 29 A H . 11596 1 131 . 1 . 1 29 29 ALA C C 13 179.373 . . 1 . . . . . 29 A CO . 11596 1 132 . 1 . 1 29 29 ALA CA C 13 59.175 . . 1 . . . . . 29 A CA . 11596 1 133 . 1 . 1 29 29 ALA CB C 13 28.767 . . 1 . . . . . 29 A CB . 11596 1 134 . 1 . 1 29 29 ALA N N 15 120.257 . . 1 . . . . . 29 A N . 11596 1 135 . 1 . 1 30 30 GLU H H 1 8.37 . . 1 . . . . . 30 E H . 11596 1 136 . 1 . 1 30 30 GLU C C 13 181.339 . . 1 . . . . . 30 E CO . 11596 1 137 . 1 . 1 30 30 GLU CA C 13 64.746 . . 1 . . . . . 30 E CA . 11596 1 138 . 1 . 1 30 30 GLU CB C 13 37.677 . . 1 . . . . . 30 E CB . 11596 1 139 . 1 . 1 30 30 GLU N N 15 120.734 . . 1 . . . . . 30 E N . 11596 1 140 . 1 . 1 31 31 GLU H H 1 8.333 . . 1 . . . . . 31 E H . 11596 1 141 . 1 . 1 31 31 GLU C C 13 178.324 . . 1 . . . . . 31 E CO . 11596 1 142 . 1 . 1 31 31 GLU CA C 13 59.509 . . 1 . . . . . 31 E CA . 11596 1 143 . 1 . 1 31 31 GLU CB C 13 29.161 . . 1 . . . . . 31 E CB . 11596 1 144 . 1 . 1 31 31 GLU N N 15 123.965 . . 1 . . . . . 31 E N . 11596 1 145 . 1 . 1 32 32 GLN H H 1 7.834 . . 1 . . . . . 32 Q H . 11596 1 146 . 1 . 1 32 32 GLN C C 13 175.861 . . 1 . . . . . 32 Q CO . 11596 1 147 . 1 . 1 32 32 GLN CA C 13 55.168 . . 1 . . . . . 32 Q CA . 11596 1 148 . 1 . 1 32 32 GLN CB C 13 28.291 . . 1 . . . . . 32 Q CB . 11596 1 149 . 1 . 1 32 32 GLN N N 15 115.043 . . 1 . . . . . 32 Q N . 11596 1 150 . 1 . 1 33 33 GLY H H 1 7.866 . . 1 . . . . . 33 G H . 11596 1 151 . 1 . 1 33 33 GLY C C 13 174.938 . . 1 . . . . . 33 G CO . 11596 1 152 . 1 . 1 33 33 GLY CA C 13 46.03 . . 1 . . . . . 33 G CA . 11596 1 153 . 1 . 1 33 33 GLY N N 15 107.266 . . 1 . . . . . 33 G N . 11596 1 154 . 1 . 1 34 34 LEU H H 1 8.075 . . 1 . . . . . 34 L H . 11596 1 155 . 1 . 1 34 34 LEU C C 13 176.057 . . 1 . . . . . 34 L CO . 11596 1 156 . 1 . 1 34 34 LEU CA C 13 55.11 . . 1 . . . . . 34 L CA . 11596 1 157 . 1 . 1 34 34 LEU CB C 13 42.2 . . 1 . . . . . 34 L CB . 11596 1 158 . 1 . 1 34 34 LEU N N 15 120.505 . . 1 . . . . . 34 L N . 11596 1 159 . 1 . 1 35 35 ASP H H 1 8.492 . . 1 . . . . . 35 D H . 11596 1 160 . 1 . 1 35 35 ASP C C 13 175.299 . . 1 . . . . . 35 D CO . 11596 1 161 . 1 . 1 35 35 ASP CA C 13 53.301 . . 1 . . . . . 35 D CA . 11596 1 162 . 1 . 1 35 35 ASP CB C 13 40.08 . . 1 . . . . . 35 D CB . 11596 1 163 . 1 . 1 35 35 ASP N N 15 122.065 . . 1 . . . . . 35 D N . 11596 1 164 . 1 . 1 36 36 LEU H H 1 7.991 . . 1 . . . . . 36 L H . 11596 1 165 . 1 . 1 36 36 LEU CB C 13 41.322 . . 1 . . . . . 36 L CB . 11596 1 166 . 1 . 1 36 36 LEU N N 15 124.192 . . 1 . . . . . 36 L N . 11596 1 167 . 1 . 1 37 37 PRO C C 13 176.718 . . 1 . . . . . 37 P CO . 11596 1 168 . 1 . 1 37 37 PRO CA C 13 62.551 . . 1 . . . . . 37 P CA . 11596 1 169 . 1 . 1 37 37 PRO CB C 13 32.244 . . 1 . . . . . 37 P CB . 11596 1 170 . 1 . 1 38 38 PHE H H 1 7.646 . . 1 . . . . . 38 F H . 11596 1 171 . 1 . 1 38 38 PHE C C 13 172.778 . . 1 . . . . . 38 F CO . 11596 1 172 . 1 . 1 38 38 PHE CA C 13 58.061 . . 1 . . . . . 38 F CA . 11596 1 173 . 1 . 1 38 38 PHE CB C 13 40.459 . . 1 . . . . . 38 F CB . 11596 1 174 . 1 . 1 38 38 PHE N N 15 111.292 . . 1 . . . . . 38 F N . 11596 1 175 . 1 . 1 39 39 SER H H 1 8.727 . . 1 . . . . . 39 S H . 11596 1 176 . 1 . 1 39 39 SER C C 13 173.788 . . 1 . . . . . 39 S CO . 11596 1 177 . 1 . 1 39 39 SER CA C 13 59.088 . . 1 . . . . . 39 S CA . 11596 1 178 . 1 . 1 39 39 SER CB C 13 62.573 . . 1 . . . . . 39 S CB . 11596 1 179 . 1 . 1 39 39 SER N N 15 115.545 . . 1 . . . . . 39 S N . 11596 1 180 . 1 . 1 40 40 CYS H H 1 7.617 . . 1 . . . . . 40 C H . 11596 1 181 . 1 . 1 40 40 CYS C C 13 174.624 . . 1 . . . . . 40 C CO . 11596 1 182 . 1 . 1 40 40 CYS CA C 13 61.732 . . 1 . . . . . 40 C CA . 11596 1 183 . 1 . 1 40 40 CYS CB C 13 31.461 . . 1 . . . . . 40 C CB . 11596 1 184 . 1 . 1 40 40 CYS N N 15 125.812 . . 1 . . . . . 40 C N . 11596 1 185 . 1 . 1 41 41 ARG H H 1 9.946 . . 1 . . . . . 41 R H . 11596 1 186 . 1 . 1 41 41 ARG C C 13 176.456 . . 1 . . . . . 41 R CO . 11596 1 187 . 1 . 1 41 41 ARG CA C 13 57.397 . . 1 . . . . . 41 R CA . 11596 1 188 . 1 . 1 41 41 ARG CB C 13 30.544 . . 1 . . . . . 41 R CB . 11596 1 189 . 1 . 1 41 41 ARG N N 15 127.278 . . 1 . . . . . 41 R N . 11596 1 190 . 1 . 1 42 42 ALA H H 1 9.741 . . 1 . . . . . 42 A H . 11596 1 191 . 1 . 1 42 42 ALA C C 13 177.748 . . 1 . . . . . 42 A CO . 11596 1 192 . 1 . 1 42 42 ALA CA C 13 51.459 . . 1 . . . . . 42 A CA . 11596 1 193 . 1 . 1 42 42 ALA CB C 13 21.354 . . 1 . . . . . 42 A CB . 11596 1 194 . 1 . 1 42 42 ALA N N 15 125.215 . . 1 . . . . . 42 A N . 11596 1 195 . 1 . 1 43 43 GLY H H 1 7.884 . . 1 . . . . . 43 G H . 11596 1 196 . 1 . 1 43 43 GLY C C 13 171.968 . . 1 . . . . . 43 G CO . 11596 1 197 . 1 . 1 43 43 GLY CA C 13 48.147 . . 1 . . . . . 43 G CA . 11596 1 198 . 1 . 1 43 43 GLY N N 15 113.8 . . 1 . . . . . 43 G N . 11596 1 199 . 1 . 1 44 44 ALA H H 1 6.798 . . 1 . . . . . 44 A H . 11596 1 200 . 1 . 1 44 44 ALA C C 13 175.228 . . 1 . . . . . 44 A CO . 11596 1 201 . 1 . 1 44 44 ALA CA C 13 51.228 . . 1 . . . . . 44 A CA . 11596 1 202 . 1 . 1 44 44 ALA CB C 13 20.91 . . 1 . . . . . 44 A CB . 11596 1 203 . 1 . 1 44 44 ALA N N 15 124.7 . . 1 . . . . . 44 A N . 11596 1 204 . 1 . 1 45 45 CYS H H 1 7.814 . . 1 . . . . . 45 C H . 11596 1 205 . 1 . 1 45 45 CYS C C 13 168.095 . . 1 . . . . . 45 C CO . 11596 1 206 . 1 . 1 45 45 CYS CA C 13 57.669 . . 1 . . . . . 45 C CA . 11596 1 207 . 1 . 1 45 45 CYS CB C 13 32.125 . . 1 . . . . . 45 C CB . 11596 1 208 . 1 . 1 45 45 CYS N N 15 126.841 . . 1 . . . . . 45 C N . 11596 1 209 . 1 . 1 46 46 SER H H 1 7.041 . . 1 . . . . . 46 S H . 11596 1 210 . 1 . 1 46 46 SER C C 13 177.774 . . 1 . . . . . 46 S CO . 11596 1 211 . 1 . 1 46 46 SER CA C 13 57.71 . . 1 . . . . . 46 S CA . 11596 1 212 . 1 . 1 46 46 SER CB C 13 65.112 . . 1 . . . . . 46 S CB . 11596 1 213 . 1 . 1 46 46 SER N N 15 152.742 . . 1 . . . . . 46 S N . 11596 1 214 . 1 . 1 47 47 THR H H 1 9.379 . . 1 . . . . . 47 T H . 11596 1 215 . 1 . 1 47 47 THR C C 13 175.482 . . 1 . . . . . 47 T CO . 11596 1 216 . 1 . 1 47 47 THR CA C 13 67.396 . . 1 . . . . . 47 T CA . 11596 1 217 . 1 . 1 47 47 THR CB C 13 68.471 . . 1 . . . . . 47 T CB . 11596 1 218 . 1 . 1 47 47 THR N N 15 123.669 . . 1 . . . . . 47 T N . 11596 1 219 . 1 . 1 48 48 CYS H H 1 7.265 . . 1 . . . . . 48 C H . 11596 1 220 . 1 . 1 48 48 CYS C C 13 176.775 . . 1 . . . . . 48 C CO . 11596 1 221 . 1 . 1 48 48 CYS CA C 13 57.516 . . 1 . . . . . 48 C CA . 11596 1 222 . 1 . 1 48 48 CYS N N 15 114.32 . . 1 . . . . . 48 C N . 11596 1 223 . 1 . 1 49 49 ALA H H 1 7.447 . . 1 . . . . . 49 A H . 11596 1 224 . 1 . 1 49 49 ALA C C 13 178.368 . . 1 . . . . . 49 A CO . 11596 1 225 . 1 . 1 49 49 ALA CA C 13 53.843 . . 1 . . . . . 49 A CA . 11596 1 226 . 1 . 1 49 49 ALA CB C 13 19.094 . . 1 . . . . . 49 A CB . 11596 1 227 . 1 . 1 49 49 ALA N N 15 127.27 . . 1 . . . . . 49 A N . 11596 1 228 . 1 . 1 50 50 GLY H H 1 9.918 . . 1 . . . . . 50 G H . 11596 1 229 . 1 . 1 50 50 GLY C C 13 171.219 . . 1 . . . . . 50 G CO . 11596 1 230 . 1 . 1 50 50 GLY CA C 13 43.813 . . 1 . . . . . 50 G CA . 11596 1 231 . 1 . 1 50 50 GLY N N 15 112.736 . . 1 . . . . . 50 G N . 11596 1 232 . 1 . 1 51 51 LYS H H 1 9.24 . . 1 . . . . . 51 K H . 11596 1 233 . 1 . 1 51 51 LYS C C 13 174.504 . . 1 . . . . . 51 K CO . 11596 1 234 . 1 . 1 51 51 LYS CA C 13 54.921 . . 1 . . . . . 51 K CA . 11596 1 235 . 1 . 1 51 51 LYS CB C 13 36.396 . . 1 . . . . . 51 K CB . 11596 1 236 . 1 . 1 51 51 LYS N N 15 120.709 . . 1 . . . . . 51 K N . 11596 1 237 . 1 . 1 52 52 LEU H H 1 9.581 . . 1 . . . . . 52 L H . 11596 1 238 . 1 . 1 52 52 LEU C C 13 175.57 . . 1 . . . . . 52 L CO . 11596 1 239 . 1 . 1 52 52 LEU CA C 13 55.352 . . 1 . . . . . 52 L CA . 11596 1 240 . 1 . 1 52 52 LEU CB C 13 43.024 . . 1 . . . . . 52 L CB . 11596 1 241 . 1 . 1 52 52 LEU N N 15 129.635 . . 1 . . . . . 52 L N . 11596 1 242 . 1 . 1 53 53 LEU H H 1 8.963 . . 1 . . . . . 53 L H . 11596 1 243 . 1 . 1 53 53 LEU C C 13 177.509 . . 1 . . . . . 53 L CO . 11596 1 244 . 1 . 1 53 53 LEU CA C 13 55.71 . . 1 . . . . . 53 L CA . 11596 1 245 . 1 . 1 53 53 LEU CB C 13 42.998 . . 1 . . . . . 53 L CB . 11596 1 246 . 1 . 1 53 53 LEU N N 15 127.879 . . 1 . . . . . 53 L N . 11596 1 247 . 1 . 1 54 54 GLU H H 1 7.549 . . 1 . . . . . 54 E H . 11596 1 248 . 1 . 1 54 54 GLU C C 13 175.2 . . 1 . . . . . 54 E CO . 11596 1 249 . 1 . 1 54 54 GLU CB C 13 33.905 . . 1 . . . . . 54 E CB . 11596 1 250 . 1 . 1 54 54 GLU N N 15 115.425 . . 1 . . . . . 54 E N . 11596 1 251 . 1 . 1 55 55 GLY H H 1 8.561 . . 1 . . . . . 55 G H . 11596 1 252 . 1 . 1 55 55 GLY C C 13 171.951 . . 1 . . . . . 55 G CO . 11596 1 253 . 1 . 1 55 55 GLY CA C 13 44.495 . . 1 . . . . . 55 G CA . 11596 1 254 . 1 . 1 55 55 GLY N N 15 109.892 . . 1 . . . . . 55 G N . 11596 1 255 . 1 . 1 56 56 GLU H H 1 7.513 . . 1 . . . . . 56 E H . 11596 1 256 . 1 . 1 56 56 GLU C C 13 174.619 . . 1 . . . . . 56 E CO . 11596 1 257 . 1 . 1 56 56 GLU CA C 13 55.102 . . 1 . . . . . 56 E CA . 11596 1 258 . 1 . 1 56 56 GLU CB C 13 34.236 . . 1 . . . . . 56 E CB . 11596 1 259 . 1 . 1 56 56 GLU N N 15 117.068 . . 1 . . . . . 56 E N . 11596 1 260 . 1 . 1 57 57 VAL H H 1 8.485 . . 1 . . . . . 57 V H . 11596 1 261 . 1 . 1 57 57 VAL C C 13 174.637 . . 1 . . . . . 57 V CO . 11596 1 262 . 1 . 1 57 57 VAL CA C 13 58.458 . . 1 . . . . . 57 V CA . 11596 1 263 . 1 . 1 57 57 VAL CB C 13 35.962 . . 1 . . . . . 57 V CB . 11596 1 264 . 1 . 1 57 57 VAL N N 15 113.124 . . 1 . . . . . 57 V N . 11596 1 265 . 1 . 1 58 58 ASP H H 1 9.426 . . 1 . . . . . 58 D H . 11596 1 266 . 1 . 1 58 58 ASP C C 13 175.666 . . 1 . . . . . 58 D CO . 11596 1 267 . 1 . 1 58 58 ASP CA C 13 53.512 . . 1 . . . . . 58 D CA . 11596 1 268 . 1 . 1 58 58 ASP CB C 13 42.909 . . 1 . . . . . 58 D CB . 11596 1 269 . 1 . 1 58 58 ASP N N 15 120.781 . . 1 . . . . . 58 D N . 11596 1 270 . 1 . 1 59 59 GLN H H 1 9.27 . . 1 . . . . . 59 Q H . 11596 1 271 . 1 . 1 59 59 GLN C C 13 176.479 . . 1 . . . . . 59 Q CO . 11596 1 272 . 1 . 1 59 59 GLN CA C 13 52.953 . . 1 . . . . . 59 Q CA . 11596 1 273 . 1 . 1 59 59 GLN CB C 13 27.856 . . 1 . . . . . 59 Q CB . 11596 1 274 . 1 . 1 59 59 GLN N N 15 124.223 . . 1 . . . . . 59 Q N . 11596 1 275 . 1 . 1 60 60 SER H H 1 8.523 . . 1 . . . . . 60 S H . 11596 1 276 . 1 . 1 60 60 SER C C 13 175.223 . . 1 . . . . . 60 S CO . 11596 1 277 . 1 . 1 60 60 SER CA C 13 62.284 . . 1 . . . . . 60 S CA . 11596 1 278 . 1 . 1 60 60 SER CB C 13 63.327 . . 1 . . . . . 60 S CB . 11596 1 279 . 1 . 1 60 60 SER N N 15 117.68 . . 1 . . . . . 60 S N . 11596 1 280 . 1 . 1 61 61 ASP H H 1 8.917 . . 1 . . . . . 61 D H . 11596 1 281 . 1 . 1 61 61 ASP C C 13 176.321 . . 1 . . . . . 61 D CO . 11596 1 282 . 1 . 1 61 61 ASP CA C 13 55.648 . . 1 . . . . . 61 D CA . 11596 1 283 . 1 . 1 61 61 ASP CB C 13 40.98 . . 1 . . . . . 61 D CB . 11596 1 284 . 1 . 1 61 61 ASP N N 15 119.328 . . 1 . . . . . 61 D N . 11596 1 285 . 1 . 1 62 62 GLN H H 1 8.554 . . 1 . . . . . 62 Q H . 11596 1 286 . 1 . 1 62 62 GLN C C 13 174.31 . . 1 . . . . . 62 Q CO . 11596 1 287 . 1 . 1 62 62 GLN CA C 13 55.825 . . 1 . . . . . 62 Q CA . 11596 1 288 . 1 . 1 62 62 GLN CB C 13 27.6 . . 1 . . . . . 62 Q CB . 11596 1 289 . 1 . 1 62 62 GLN N N 15 122.276 . . 1 . . . . . 62 Q N . 11596 1 290 . 1 . 1 63 63 SER H H 1 9.054 . . 1 . . . . . 63 S H . 11596 1 291 . 1 . 1 63 63 SER C C 13 173.5 . . 1 . . . . . 63 S CO . 11596 1 292 . 1 . 1 63 63 SER CA C 13 57.669 . . 1 . . . . . 63 S CA . 11596 1 293 . 1 . 1 63 63 SER CB C 13 65.126 . . 1 . . . . . 63 S CB . 11596 1 294 . 1 . 1 63 63 SER N N 15 114.605 . . 1 . . . . . 63 S N . 11596 1 295 . 1 . 1 64 64 PHE H H 1 7.707 . . 1 . . . . . 64 F H . 11596 1 296 . 1 . 1 64 64 PHE C C 13 176.035 . . 1 . . . . . 64 F CO . 11596 1 297 . 1 . 1 64 64 PHE CA C 13 60.906 . . 1 . . . . . 64 F CA . 11596 1 298 . 1 . 1 64 64 PHE CB C 13 43.847 . . 1 . . . . . 64 F CB . 11596 1 299 . 1 . 1 64 64 PHE N N 15 123.433 . . 1 . . . . . 64 F N . 11596 1 300 . 1 . 1 65 65 LEU H H 1 7.999 . . 1 . . . . . 65 L H . 11596 1 301 . 1 . 1 65 65 LEU C C 13 173.205 . . 1 . . . . . 65 L CO . 11596 1 302 . 1 . 1 65 65 LEU CA C 13 55.055 . . 1 . . . . . 65 L CA . 11596 1 303 . 1 . 1 65 65 LEU CB C 13 33.302 . . 1 . . . . . 65 L CB . 11596 1 304 . 1 . 1 65 65 LEU N N 15 120.54 . . 1 . . . . . 65 L N . 11596 1 305 . 1 . 1 66 66 ASP H H 1 8.442 . . 1 . . . . . 66 D H . 11596 1 306 . 1 . 1 66 66 ASP C C 13 179.467 . . 1 . . . . . 66 D CO . 11596 1 307 . 1 . 1 66 66 ASP CA C 13 54.593 . . 1 . . . . . 66 D CA . 11596 1 308 . 1 . 1 66 66 ASP CB C 13 38.909 . . 1 . . . . . 66 D CB . 11596 1 309 . 1 . 1 66 66 ASP N N 15 117.741 . . 1 . . . . . 66 D N . 11596 1 310 . 1 . 1 67 67 ASP H H 1 8.818 . . 1 . . . . . 67 D H . 11596 1 311 . 1 . 1 67 67 ASP C C 13 177.396 . . 1 . . . . . 67 D CO . 11596 1 312 . 1 . 1 67 67 ASP CA C 13 66.303 . . 1 . . . . . 67 D CA . 11596 1 313 . 1 . 1 67 67 ASP CB C 13 39.186 . . 1 . . . . . 67 D CB . 11596 1 314 . 1 . 1 67 67 ASP N N 15 119.18 . . 1 . . . . . 67 D N . 11596 1 315 . 1 . 1 68 68 ASP H H 1 7.006 . . 1 . . . . . 68 D H . 11596 1 316 . 1 . 1 68 68 ASP C C 13 176.456 . . 1 . . . . . 68 D CO . 11596 1 317 . 1 . 1 68 68 ASP CA C 13 58.484 . . 1 . . . . . 68 D CA . 11596 1 318 . 1 . 1 68 68 ASP CB C 13 42.451 . . 1 . . . . . 68 D CB . 11596 1 319 . 1 . 1 68 68 ASP N N 15 114.132 . . 1 . . . . . 68 D N . 11596 1 320 . 1 . 1 69 69 GLN H H 1 6.69 . . 1 . . . . . 69 Q H . 11596 1 321 . 1 . 1 69 69 GLN C C 13 179.044 . . 1 . . . . . 69 Q CO . 11596 1 322 . 1 . 1 69 69 GLN CA C 13 57.843 . . 1 . . . . . 69 Q CA . 11596 1 323 . 1 . 1 69 69 GLN CB C 13 39.812 . . 1 . . . . . 69 Q CB . 11596 1 324 . 1 . 1 69 69 GLN N N 15 116.401 . . 1 . . . . . 69 Q N . 11596 1 325 . 1 . 1 70 70 ILE H H 1 8.241 . . 1 . . . . . 70 I H . 11596 1 326 . 1 . 1 70 70 ILE C C 13 174.39 . . 1 . . . . . 70 I CO . 11596 1 327 . 1 . 1 70 70 ILE CA C 13 57.863 . . 1 . . . . . 70 I CA . 11596 1 328 . 1 . 1 70 70 ILE CB C 13 30.62 . . 1 . . . . . 70 I CB . 11596 1 329 . 1 . 1 70 70 ILE N N 15 116.261 . . 1 . . . . . 70 I N . 11596 1 330 . 1 . 1 71 71 GLU H H 1 8.054 . . 1 . . . . . 71 E H . 11596 1 331 . 1 . 1 71 71 GLU C C 13 178.327 . . 1 . . . . . 71 E CO . 11596 1 332 . 1 . 1 71 71 GLU CA C 13 52.324 . . 1 . . . . . 71 E CA . 11596 1 333 . 1 . 1 71 71 GLU CB C 13 39.933 . . 1 . . . . . 71 E CB . 11596 1 334 . 1 . 1 71 71 GLU N N 15 116.057 . . 1 . . . . . 71 E N . 11596 1 335 . 1 . 1 72 72 LYS H H 1 7.684 . . 1 . . . . . 72 K H . 11596 1 336 . 1 . 1 72 72 LYS C C 13 176.186 . . 1 . . . . . 72 K CO . 11596 1 337 . 1 . 1 72 72 LYS CA C 13 57.403 . . 1 . . . . . 72 K CA . 11596 1 338 . 1 . 1 72 72 LYS CB C 13 33.572 . . 1 . . . . . 72 K CB . 11596 1 339 . 1 . 1 72 72 LYS N N 15 117.205 . . 1 . . . . . 72 K N . 11596 1 340 . 1 . 1 73 73 GLY H H 1 7.84 . . 1 . . . . . 73 G H . 11596 1 341 . 1 . 1 73 73 GLY C C 13 174.461 . . 1 . . . . . 73 G CO . 11596 1 342 . 1 . 1 73 73 GLY CA C 13 44.906 . . 1 . . . . . 73 G CA . 11596 1 343 . 1 . 1 73 73 GLY N N 15 104.889 . . 1 . . . . . 73 G N . 11596 1 344 . 1 . 1 74 74 PHE H H 1 7.794 . . 1 . . . . . 74 F H . 11596 1 345 . 1 . 1 74 74 PHE C C 13 175.799 . . 1 . . . . . 74 F CO . 11596 1 346 . 1 . 1 74 74 PHE CA C 13 60.589 . . 1 . . . . . 74 F CA . 11596 1 347 . 1 . 1 74 74 PHE CB C 13 39.788 . . 1 . . . . . 74 F CB . 11596 1 348 . 1 . 1 74 74 PHE N N 15 118.434 . . 1 . . . . . 74 F N . 11596 1 349 . 1 . 1 75 75 VAL H H 1 8.615 . . 1 . . . . . 75 V H . 11596 1 350 . 1 . 1 75 75 VAL C C 13 174.237 . . 1 . . . . . 75 V CO . 11596 1 351 . 1 . 1 75 75 VAL CA C 13 57.888 . . 1 . . . . . 75 V CA . 11596 1 352 . 1 . 1 75 75 VAL CB C 13 35.734 . . 1 . . . . . 75 V CB . 11596 1 353 . 1 . 1 75 75 VAL N N 15 115.488 . . 1 . . . . . 75 V N . 11596 1 354 . 1 . 1 76 76 LEU H H 1 8.471 . . 1 . . . . . 76 L H . 11596 1 355 . 1 . 1 76 76 LEU C C 13 175.915 . . 1 . . . . . 76 L CO . 11596 1 356 . 1 . 1 76 76 LEU CA C 13 54.24 . . 1 . . . . . 76 L CA . 11596 1 357 . 1 . 1 76 76 LEU CB C 13 38.231 . . 1 . . . . . 76 L CB . 11596 1 358 . 1 . 1 76 76 LEU N N 15 126.186 . . 1 . . . . . 76 L N . 11596 1 359 . 1 . 1 77 77 THR H H 1 6.828 . . 1 . . . . . 77 T H . 11596 1 360 . 1 . 1 77 77 THR C C 13 175.246 . . 1 . . . . . 77 T CO . 11596 1 361 . 1 . 1 77 77 THR CA C 13 66.055 . . 1 . . . . . 77 T CA . 11596 1 362 . 1 . 1 77 77 THR CB C 13 70.008 . . 1 . . . . . 77 T CB . 11596 1 363 . 1 . 1 77 77 THR N N 15 115.427 . . 1 . . . . . 77 T N . 11596 1 364 . 1 . 1 78 78 CYS H H 1 8.675 . . 1 . . . . . 78 C H . 11596 1 365 . 1 . 1 78 78 CYS C C 13 173.998 . . 1 . . . . . 78 C CO . 11596 1 366 . 1 . 1 78 78 CYS CA C 13 58.649 . . 1 . . . . . 78 C CA . 11596 1 367 . 1 . 1 78 78 CYS CB C 13 29.706 . . 1 . . . . . 78 C CB . 11596 1 368 . 1 . 1 78 78 CYS N N 15 118.607 . . 1 . . . . . 78 C N . 11596 1 369 . 1 . 1 79 79 VAL H H 1 6.785 . . 1 . . . . . 79 V H . 11596 1 370 . 1 . 1 79 79 VAL C C 13 172.425 . . 1 . . . . . 79 V CO . 11596 1 371 . 1 . 1 79 79 VAL CA C 13 59.375 . . 1 . . . . . 79 V CA . 11596 1 372 . 1 . 1 79 79 VAL CB C 13 31.451 . . 1 . . . . . 79 V CB . 11596 1 373 . 1 . 1 79 79 VAL N N 15 112.154 . . 1 . . . . . 79 V N . 11596 1 374 . 1 . 1 80 80 ALA H H 1 6.281 . . 1 . . . . . 80 A H . 11596 1 375 . 1 . 1 80 80 ALA C C 13 175.501 . . 1 . . . . . 80 A CO . 11596 1 376 . 1 . 1 80 80 ALA CA C 13 50.312 . . 1 . . . . . 80 A CA . 11596 1 377 . 1 . 1 80 80 ALA CB C 13 21.194 . . 1 . . . . . 80 A CB . 11596 1 378 . 1 . 1 80 80 ALA N N 15 120.962 . . 1 . . . . . 80 A N . 11596 1 379 . 1 . 1 81 81 TYR H H 1 9.06 . . 1 . . . . . 81 Y H . 11596 1 380 . 1 . 1 81 81 TYR CA C 13 54.432 . . 1 . . . . . 81 Y CA . 11596 1 381 . 1 . 1 81 81 TYR CB C 13 39.92 . . 1 . . . . . 81 Y CB . 11596 1 382 . 1 . 1 81 81 TYR N N 15 122.877 . . 1 . . . . . 81 Y N . 11596 1 383 . 1 . 1 82 82 PRO C C 13 176.173 . . 1 . . . . . 82 P CO . 11596 1 384 . 1 . 1 82 82 PRO CA C 13 63.661 . . 1 . . . . . 82 P CA . 11596 1 385 . 1 . 1 82 82 PRO CB C 13 31.218 . . 1 . . . . . 82 P CB . 11596 1 386 . 1 . 1 83 83 ARG H H 1 8.368 . . 1 . . . . . 83 R H . 11596 1 387 . 1 . 1 83 83 ARG C C 13 173.054 . . 1 . . . . . 83 R CO . 11596 1 388 . 1 . 1 83 83 ARG CA C 13 53.292 . . 1 . . . . . 83 R CA . 11596 1 389 . 1 . 1 83 83 ARG CB C 13 31.094 . . 1 . . . . . 83 R CB . 11596 1 390 . 1 . 1 83 83 ARG N N 15 118.773 . . 1 . . . . . 83 R N . 11596 1 391 . 1 . 1 84 84 SER H H 1 7.63 . . 1 . . . . . 84 S H . 11596 1 392 . 1 . 1 84 84 SER C C 13 172.461 . . 1 . . . . . 84 S CO . 11596 1 393 . 1 . 1 84 84 SER CA C 13 57.267 . . 1 . . . . . 84 S CA . 11596 1 394 . 1 . 1 84 84 SER CB C 13 66.221 . . 1 . . . . . 84 S CB . 11596 1 395 . 1 . 1 84 84 SER N N 15 114.767 . . 1 . . . . . 84 S N . 11596 1 396 . 1 . 1 85 85 ASP H H 1 8.727 . . 1 . . . . . 85 D H . 11596 1 397 . 1 . 1 85 85 ASP C C 13 179.394 . . 1 . . . . . 85 D CO . 11596 1 398 . 1 . 1 85 85 ASP CA C 13 56.458 . . 1 . . . . . 85 D CA . 11596 1 399 . 1 . 1 85 85 ASP CB C 13 39.589 . . 1 . . . . . 85 D CB . 11596 1 400 . 1 . 1 85 85 ASP N N 15 120.976 . . 1 . . . . . 85 D N . 11596 1 401 . 1 . 1 86 86 CYS H H 1 9.132 . . 1 . . . . . 86 C H . 11596 1 402 . 1 . 1 86 86 CYS C C 13 172.341 . . 1 . . . . . 86 C CO . 11596 1 403 . 1 . 1 86 86 CYS CA C 13 57.21 . . 1 . . . . . 86 C CA . 11596 1 404 . 1 . 1 86 86 CYS CB C 13 32.563 . . 1 . . . . . 86 C CB . 11596 1 405 . 1 . 1 86 86 CYS N N 15 120.638 . . 1 . . . . . 86 C N . 11596 1 406 . 1 . 1 87 87 LYS H H 1 8.41 . . 1 . . . . . 87 K H . 11596 1 407 . 1 . 1 87 87 LYS C C 13 174.923 . . 1 . . . . . 87 K CO . 11596 1 408 . 1 . 1 87 87 LYS CA C 13 55.378 . . 1 . . . . . 87 K CA . 11596 1 409 . 1 . 1 87 87 LYS CB C 13 35.95 . . 1 . . . . . 87 K CB . 11596 1 410 . 1 . 1 87 87 LYS N N 15 121.375 . . 1 . . . . . 87 K N . 11596 1 411 . 1 . 1 88 88 ILE H H 1 9.293 . . 1 . . . . . 88 I H . 11596 1 412 . 1 . 1 88 88 ILE C C 13 173.692 . . 1 . . . . . 88 I CO . 11596 1 413 . 1 . 1 88 88 ILE CA C 13 59.552 . . 1 . . . . . 88 I CA . 11596 1 414 . 1 . 1 88 88 ILE CB C 13 43.343 . . 1 . . . . . 88 I CB . 11596 1 415 . 1 . 1 88 88 ILE N N 15 127.041 . . 1 . . . . . 88 I N . 11596 1 416 . 1 . 1 89 89 LEU H H 1 9.319 . . 1 . . . . . 89 L H . 11596 1 417 . 1 . 1 89 89 LEU C C 13 177.04 . . 1 . . . . . 89 L CO . 11596 1 418 . 1 . 1 89 89 LEU CA C 13 53.606 . . 1 . . . . . 89 L CA . 11596 1 419 . 1 . 1 89 89 LEU CB C 13 43.92 . . 1 . . . . . 89 L CB . 11596 1 420 . 1 . 1 89 89 LEU N N 15 129.537 . . 1 . . . . . 89 L N . 11596 1 421 . 1 . 1 90 90 THR H H 1 8.856 . . 1 . . . . . 90 T H . 11596 1 422 . 1 . 1 90 90 THR C C 13 174.97 . . 1 . . . . . 90 T CO . 11596 1 423 . 1 . 1 90 90 THR CA C 13 62.081 . . 1 . . . . . 90 T CA . 11596 1 424 . 1 . 1 90 90 THR CB C 13 70.126 . . 1 . . . . . 90 T CB . 11596 1 425 . 1 . 1 90 90 THR N N 15 116.319 . . 1 . . . . . 90 T N . 11596 1 426 . 1 . 1 91 91 ASN H H 1 9.615 . . 1 . . . . . 91 N H . 11596 1 427 . 1 . 1 91 91 ASN C C 13 176.31 . . 1 . . . . . 91 N CO . 11596 1 428 . 1 . 1 91 91 ASN CA C 13 55.411 . . 1 . . . . . 91 N CA . 11596 1 429 . 1 . 1 91 91 ASN CB C 13 35.524 . . 1 . . . . . 91 N CB . 11596 1 430 . 1 . 1 91 91 ASN N N 15 113.79 . . 1 . . . . . 91 N N . 11596 1 431 . 1 . 1 92 92 GLN H H 1 7.556 . . 1 . . . . . 92 Q H . 11596 1 432 . 1 . 1 92 92 GLN C C 13 175.436 . . 1 . . . . . 92 Q CO . 11596 1 433 . 1 . 1 92 92 GLN CA C 13 54.721 . . 1 . . . . . 92 Q CA . 11596 1 434 . 1 . 1 92 92 GLN CB C 13 30.073 . . 1 . . . . . 92 Q CB . 11596 1 435 . 1 . 1 92 92 GLN N N 15 112.784 . . 1 . . . . . 92 Q N . 11596 1 436 . 1 . 1 93 93 GLU H H 1 8.476 . . 1 . . . . . 93 E H . 11596 1 437 . 1 . 1 93 93 GLU C C 13 177.375 . . 1 . . . . . 93 E CO . 11596 1 438 . 1 . 1 93 93 GLU CA C 13 61.115 . . 1 . . . . . 93 E CA . 11596 1 439 . 1 . 1 93 93 GLU CB C 13 29.211 . . 1 . . . . . 93 E CB . 11596 1 440 . 1 . 1 93 93 GLU N N 15 122.294 . . 1 . . . . . 93 E N . 11596 1 441 . 1 . 1 94 94 GLU H H 1 8.711 . . 1 . . . . . 94 E H . 11596 1 442 . 1 . 1 94 94 GLU C C 13 177.854 . . 1 . . . . . 94 E CO . 11596 1 443 . 1 . 1 94 94 GLU CA C 13 58.448 . . 1 . . . . . 94 E CA . 11596 1 444 . 1 . 1 94 94 GLU CB C 13 29.445 . . 1 . . . . . 94 E CB . 11596 1 445 . 1 . 1 94 94 GLU N N 15 113.499 . . 1 . . . . . 94 E N . 11596 1 446 . 1 . 1 95 95 GLU H H 1 7.696 . . 1 . . . . . 95 E H . 11596 1 447 . 1 . 1 95 95 GLU C C 13 176.859 . . 1 . . . . . 95 E CO . 11596 1 448 . 1 . 1 95 95 GLU CA C 13 56.181 . . 1 . . . . . 95 E CA . 11596 1 449 . 1 . 1 95 95 GLU N N 15 116.335 . . 1 . . . . . 95 E N . 11596 1 450 . 1 . 1 96 96 LEU H H 1 7.294 . . 1 . . . . . 96 L H . 11596 1 451 . 1 . 1 96 96 LEU C C 13 175.742 . . 1 . . . . . 96 L CO . 11596 1 452 . 1 . 1 96 96 LEU CA C 13 55.538 . . 1 . . . . . 96 L CA . 11596 1 453 . 1 . 1 96 96 LEU CB C 13 41.936 . . 1 . . . . . 96 L CB . 11596 1 454 . 1 . 1 96 96 LEU N N 15 118.756 . . 1 . . . . . 96 L N . 11596 1 455 . 1 . 1 97 97 TYR H H 1 7.003 . . 1 . . . . . 97 Y H . 11596 1 456 . 1 . 1 97 97 TYR C C 13 180.405 . . 1 . . . . . 97 Y CO . 11596 1 457 . 1 . 1 97 97 TYR CA C 13 58.886 . . 1 . . . . . 97 Y CA . 11596 1 458 . 1 . 1 97 97 TYR CB C 13 39.79 . . 1 . . . . . 97 Y CB . 11596 1 459 . 1 . 1 97 97 TYR N N 15 123.392 . . 1 . . . . . 97 Y N . 11596 1 stop_ save_