################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 31097 _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 31097 1 2 '3D 1H-15N NOESY' . . . 31097 1 3 '3D HNCACB' . . . 31097 1 4 '3D CBCA(CO)NH' . . . 31097 1 5 '3D HNCO' . . . 31097 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 18 18 ALA C C 13 181.065 . . . . . . . A 14 ALA C . 31097 1 2 . 1 . 1 19 19 LYS H H 1 7.629 . . . . . . . A 15 LYS H . 31097 1 3 . 1 . 1 19 19 LYS C C 13 178.548 . . . . . . . A 15 LYS C . 31097 1 4 . 1 . 1 19 19 LYS CA C 13 60.106 . . . . . . . A 15 LYS CA . 31097 1 5 . 1 . 1 19 19 LYS CB C 13 32.074 . . . . . . . A 15 LYS CB . 31097 1 6 . 1 . 1 19 19 LYS N N 15 119.748 . . . . . . . A 15 LYS N . 31097 1 7 . 1 . 1 20 20 CYS H H 1 7.864 . . . . . . . A 16 CYS H . 31097 1 8 . 1 . 1 20 20 CYS C C 13 176.791 . . . . . . . A 16 CYS C . 31097 1 9 . 1 . 1 20 20 CYS CA C 13 64.418 . . . . . . . A 16 CYS CA . 31097 1 10 . 1 . 1 20 20 CYS CB C 13 26.983 . . . . . . . A 16 CYS CB . 31097 1 11 . 1 . 1 20 20 CYS N N 15 116.645 . . . . . . . A 16 CYS N . 31097 1 12 . 1 . 1 21 21 TRP H H 1 7.990 . . . . . . . A 17 TRP H . 31097 1 13 . 1 . 1 21 21 TRP C C 13 177.916 . . . . . . . A 17 TRP C . 31097 1 14 . 1 . 1 21 21 TRP CA C 13 56.986 . . . . . . . A 17 TRP CA . 31097 1 15 . 1 . 1 21 21 TRP CB C 13 29.105 . . . . . . . A 17 TRP CB . 31097 1 16 . 1 . 1 21 21 TRP N N 15 117.977 . . . . . . . A 17 TRP N . 31097 1 17 . 1 . 1 22 22 ALA H H 1 7.577 . . . . . . . A 18 ALA H . 31097 1 18 . 1 . 1 22 22 ALA C C 13 177.876 . . . . . . . A 18 ALA C . 31097 1 19 . 1 . 1 22 22 ALA CA C 13 53.195 . . . . . . . A 18 ALA CA . 31097 1 20 . 1 . 1 22 22 ALA CB C 13 20.172 . . . . . . . A 18 ALA CB . 31097 1 21 . 1 . 1 22 22 ALA N N 15 118.709 . . . . . . . A 18 ALA N . 31097 1 22 . 1 . 1 23 23 ASP H H 1 8.155 . . . . . . . A 19 ASP H . 31097 1 23 . 1 . 1 23 23 ASP C C 13 174.634 . . . . . . . A 19 ASP C . 31097 1 24 . 1 . 1 23 23 ASP CA C 13 53.168 . . . . . . . A 19 ASP CA . 31097 1 25 . 1 . 1 23 23 ASP CB C 13 42.063 . . . . . . . A 19 ASP CB . 31097 1 26 . 1 . 1 23 23 ASP N N 15 119.547 . . . . . . . A 19 ASP N . 31097 1 27 . 1 . 1 24 24 ALA H H 1 8.858 . . . . . . . A 20 ALA H . 31097 1 28 . 1 . 1 24 24 ALA C C 13 181.068 . . . . . . . A 20 ALA C . 31097 1 29 . 1 . 1 24 24 ALA CA C 13 55.079 . . . . . . . A 20 ALA CA . 31097 1 30 . 1 . 1 24 24 ALA CB C 13 18.652 . . . . . . . A 20 ALA CB . 31097 1 31 . 1 . 1 24 24 ALA N N 15 127.632 . . . . . . . A 20 ALA N . 31097 1 32 . 1 . 1 25 25 GLU H H 1 8.372 . . . . . . . A 21 GLU H . 31097 1 33 . 1 . 1 25 25 GLU C C 13 178.891 . . . . . . . A 21 GLU C . 31097 1 34 . 1 . 1 25 25 GLU CA C 13 56.981 . . . . . . . A 21 GLU CA . 31097 1 35 . 1 . 1 25 25 GLU CB C 13 30.204 . . . . . . . A 21 GLU CB . 31097 1 36 . 1 . 1 25 25 GLU N N 15 119.841 . . . . . . . A 21 GLU N . 31097 1 37 . 1 . 1 26 26 PHE H H 1 7.894 . . . . . . . A 22 PHE H . 31097 1 38 . 1 . 1 26 26 PHE C C 13 176.456 . . . . . . . A 22 PHE C . 31097 1 39 . 1 . 1 26 26 PHE CA C 13 61.748 . . . . . . . A 22 PHE CA . 31097 1 40 . 1 . 1 26 26 PHE CB C 13 38.763 . . . . . . . A 22 PHE CB . 31097 1 41 . 1 . 1 26 26 PHE N N 15 123.188 . . . . . . . A 22 PHE N . 31097 1 42 . 1 . 1 27 27 LYS H H 1 8.216 . . . . . . . A 23 LYS H . 31097 1 43 . 1 . 1 27 27 LYS C C 13 177.125 . . . . . . . A 23 LYS C . 31097 1 44 . 1 . 1 27 27 LYS CA C 13 60.357 . . . . . . . A 23 LYS CA . 31097 1 45 . 1 . 1 27 27 LYS CB C 13 31.932 . . . . . . . A 23 LYS CB . 31097 1 46 . 1 . 1 27 27 LYS N N 15 118.399 . . . . . . . A 23 LYS N . 31097 1 47 . 1 . 1 28 28 ALA H H 1 7.650 . . . . . . . A 24 ALA H . 31097 1 48 . 1 . 1 28 28 ALA C C 13 181.163 . . . . . . . A 24 ALA C . 31097 1 49 . 1 . 1 28 28 ALA CA C 13 55.117 . . . . . . . A 24 ALA CA . 31097 1 50 . 1 . 1 28 28 ALA CB C 13 17.955 . . . . . . . A 24 ALA CB . 31097 1 51 . 1 . 1 28 28 ALA N N 15 117.426 . . . . . . . A 24 ALA N . 31097 1 52 . 1 . 1 29 29 LYS H H 1 7.759 . . . . . . . A 25 LYS H . 31097 1 53 . 1 . 1 29 29 LYS C C 13 178.313 . . . . . . . A 25 LYS C . 31097 1 54 . 1 . 1 29 29 LYS CA C 13 59.593 . . . . . . . A 25 LYS CA . 31097 1 55 . 1 . 1 29 29 LYS CB C 13 31.993 . . . . . . . A 25 LYS CB . 31097 1 56 . 1 . 1 29 29 LYS N N 15 120.470 . . . . . . . A 25 LYS N . 31097 1 57 . 1 . 1 30 30 LEU H H 1 8.219 . . . . . . . A 26 LEU H . 31097 1 58 . 1 . 1 30 30 LEU C C 13 176.429 . . . . . . . A 26 LEU C . 31097 1 59 . 1 . 1 30 30 LEU CA C 13 57.861 . . . . . . . A 26 LEU CA . 31097 1 60 . 1 . 1 30 30 LEU CB C 13 41.181 . . . . . . . A 26 LEU CB . 31097 1 61 . 1 . 1 30 30 LEU N N 15 121.734 . . . . . . . A 26 LEU N . 31097 1 62 . 1 . 1 31 31 ILE H H 1 7.729 . . . . . . . A 27 ILE H . 31097 1 63 . 1 . 1 31 31 ILE C C 13 178.531 . . . . . . . A 27 ILE C . 31097 1 64 . 1 . 1 31 31 ILE CA C 13 65.160 . . . . . . . A 27 ILE CA . 31097 1 65 . 1 . 1 31 31 ILE CB C 13 38.715 . . . . . . . A 27 ILE CB . 31097 1 66 . 1 . 1 31 31 ILE N N 15 113.712 . . . . . . . A 27 ILE N . 31097 1 67 . 1 . 1 32 32 ALA H H 1 7.676 . . . . . . . A 28 ALA H . 31097 1 68 . 1 . 1 32 32 ALA CA C 13 54.608 . . . . . . . A 28 ALA CA . 31097 1 69 . 1 . 1 32 32 ALA CB C 13 18.940 . . . . . . . A 28 ALA CB . 31097 1 70 . 1 . 1 32 32 ALA N N 15 120.004 . . . . . . . A 28 ALA N . 31097 1 71 . 1 . 1 34 34 PRO C C 13 178.953 . . . . . . . A 30 PRO C . 31097 1 72 . 1 . 1 35 35 LYS H H 1 8.371 . . . . . . . A 31 LYS H . 31097 1 73 . 1 . 1 35 35 LYS C C 13 179.457 . . . . . . . A 31 LYS C . 31097 1 74 . 1 . 1 35 35 LYS CA C 13 61.214 . . . . . . . A 31 LYS CA . 31097 1 75 . 1 . 1 35 35 LYS CB C 13 32.070 . . . . . . . A 31 LYS CB . 31097 1 76 . 1 . 1 35 35 LYS N N 15 116.116 . . . . . . . A 31 LYS N . 31097 1 77 . 1 . 1 36 36 ALA H H 1 7.796 . . . . . . . A 32 ALA H . 31097 1 78 . 1 . 1 36 36 ALA C C 13 181.265 . . . . . . . A 32 ALA C . 31097 1 79 . 1 . 1 36 36 ALA CA C 13 54.705 . . . . . . . A 32 ALA CA . 31097 1 80 . 1 . 1 36 36 ALA CB C 13 18.900 . . . . . . . A 32 ALA CB . 31097 1 81 . 1 . 1 36 36 ALA N N 15 121.088 . . . . . . . A 32 ALA N . 31097 1 82 . 1 . 1 37 37 THR H H 1 8.005 . . . . . . . A 33 THR H . 31097 1 83 . 1 . 1 37 37 THR CA C 13 63.250 . . . . . . . A 33 THR CA . 31097 1 84 . 1 . 1 37 37 THR CB C 13 68.232 . . . . . . . A 33 THR CB . 31097 1 85 . 1 . 1 37 37 THR N N 15 116.962 . . . . . . . A 33 THR N . 31097 1 86 . 1 . 1 39 39 ALA C C 13 182.139 . . . . . . . A 35 ALA C . 31097 1 87 . 1 . 1 40 40 ALA H H 1 7.555 . . . . . . . A 36 ALA H . 31097 1 88 . 1 . 1 40 40 ALA C C 13 178.785 . . . . . . . A 36 ALA C . 31097 1 89 . 1 . 1 40 40 ALA CA C 13 54.470 . . . . . . . A 36 ALA CA . 31097 1 90 . 1 . 1 40 40 ALA CB C 13 17.830 . . . . . . . A 36 ALA CB . 31097 1 91 . 1 . 1 40 40 ALA N N 15 121.355 . . . . . . . A 36 ALA N . 31097 1 92 . 1 . 1 41 41 GLU H H 1 7.453 . . . . . . . A 37 GLU H . 31097 1 93 . 1 . 1 41 41 GLU C C 13 175.124 . . . . . . . A 37 GLU C . 31097 1 94 . 1 . 1 41 41 GLU CA C 13 54.627 . . . . . . . A 37 GLU CA . 31097 1 95 . 1 . 1 41 41 GLU CB C 13 29.546 . . . . . . . A 37 GLU CB . 31097 1 96 . 1 . 1 41 41 GLU N N 15 117.469 . . . . . . . A 37 GLU N . 31097 1 97 . 1 . 1 42 42 SER H H 1 7.853 . . . . . . . A 38 SER H . 31097 1 98 . 1 . 1 42 42 SER C C 13 173.541 . . . . . . . A 38 SER C . 31097 1 99 . 1 . 1 42 42 SER CB C 13 61.141 . . . . . . . A 38 SER CB . 31097 1 100 . 1 . 1 42 42 SER N N 15 109.808 . . . . . . . A 38 SER N . 31097 1 101 . 1 . 1 43 43 ILE H H 1 7.947 . . . . . . . A 39 ILE H . 31097 1 102 . 1 . 1 43 43 ILE C C 13 174.084 . . . . . . . A 39 ILE C . 31097 1 103 . 1 . 1 43 43 ILE CA C 13 60.518 . . . . . . . A 39 ILE CA . 31097 1 104 . 1 . 1 43 43 ILE CB C 13 38.727 . . . . . . . A 39 ILE CB . 31097 1 105 . 1 . 1 43 43 ILE N N 15 121.678 . . . . . . . A 39 ILE N . 31097 1 106 . 1 . 1 44 44 ALA H H 1 8.436 . . . . . . . A 40 ALA H . 31097 1 107 . 1 . 1 44 44 ALA C C 13 176.332 . . . . . . . A 40 ALA C . 31097 1 108 . 1 . 1 44 44 ALA CA C 13 51.529 . . . . . . . A 40 ALA CA . 31097 1 109 . 1 . 1 44 44 ALA CB C 13 18.989 . . . . . . . A 40 ALA CB . 31097 1 110 . 1 . 1 44 44 ALA N N 15 130.608 . . . . . . . A 40 ALA N . 31097 1 111 . 1 . 1 45 45 VAL H H 1 7.851 . . . . . . . A 41 VAL H . 31097 1 112 . 1 . 1 45 45 VAL CA C 13 59.439 . . . . . . . A 41 VAL CA . 31097 1 113 . 1 . 1 45 45 VAL N N 15 123.410 . . . . . . . A 41 VAL N . 31097 1 114 . 1 . 1 46 46 PRO C C 13 176.849 . . . . . . . A 42 PRO C . 31097 1 115 . 1 . 1 47 47 ASP H H 1 8.381 . . . . . . . A 43 ASP H . 31097 1 116 . 1 . 1 47 47 ASP C C 13 176.925 . . . . . . . A 43 ASP C . 31097 1 117 . 1 . 1 47 47 ASP CA C 13 54.976 . . . . . . . A 43 ASP CA . 31097 1 118 . 1 . 1 47 47 ASP CB C 13 41.182 . . . . . . . A 43 ASP CB . 31097 1 119 . 1 . 1 47 47 ASP N N 15 120.782 . . . . . . . A 43 ASP N . 31097 1 120 . 1 . 1 48 48 GLY H H 1 8.358 . . . . . . . A 44 GLY H . 31097 1 121 . 1 . 1 48 48 GLY C C 13 173.827 . . . . . . . A 44 GLY C . 31097 1 122 . 1 . 1 48 48 GLY CA C 13 45.685 . . . . . . . A 44 GLY CA . 31097 1 123 . 1 . 1 48 48 GLY N N 15 109.166 . . . . . . . A 44 GLY N . 31097 1 124 . 1 . 1 49 49 ILE H H 1 7.095 . . . . . . . A 45 ILE H . 31097 1 125 . 1 . 1 49 49 ILE C C 13 175.038 . . . . . . . A 45 ILE C . 31097 1 126 . 1 . 1 49 49 ILE CA C 13 59.379 . . . . . . . A 45 ILE CA . 31097 1 127 . 1 . 1 49 49 ILE CB C 13 39.570 . . . . . . . A 45 ILE CB . 31097 1 128 . 1 . 1 49 49 ILE N N 15 117.189 . . . . . . . A 45 ILE N . 31097 1 129 . 1 . 1 50 50 GLU H H 1 8.820 . . . . . . . A 46 GLU H . 31097 1 130 . 1 . 1 50 50 GLU C C 13 173.838 . . . . . . . A 46 GLU C . 31097 1 131 . 1 . 1 50 50 GLU CA C 13 55.123 . . . . . . . A 46 GLU CA . 31097 1 132 . 1 . 1 50 50 GLU CB C 13 30.925 . . . . . . . A 46 GLU CB . 31097 1 133 . 1 . 1 50 50 GLU N N 15 127.745 . . . . . . . A 46 GLU N . 31097 1 134 . 1 . 1 51 51 LEU H H 1 8.346 . . . . . . . A 47 LEU H . 31097 1 135 . 1 . 1 51 51 LEU C C 13 174.833 . . . . . . . A 47 LEU C . 31097 1 136 . 1 . 1 51 51 LEU CA C 13 53.301 . . . . . . . A 47 LEU CA . 31097 1 137 . 1 . 1 51 51 LEU CB C 13 45.041 . . . . . . . A 47 LEU CB . 31097 1 138 . 1 . 1 51 51 LEU N N 15 126.219 . . . . . . . A 47 LEU N . 31097 1 139 . 1 . 1 52 52 ARG H H 1 8.497 . . . . . . . A 48 ARG H . 31097 1 140 . 1 . 1 52 52 ARG C C 13 174.067 . . . . . . . A 48 ARG C . 31097 1 141 . 1 . 1 52 52 ARG CA C 13 55.163 . . . . . . . A 48 ARG CA . 31097 1 142 . 1 . 1 52 52 ARG CB C 13 32.889 . . . . . . . A 48 ARG CB . 31097 1 143 . 1 . 1 52 52 ARG N N 15 119.349 . . . . . . . A 48 ARG N . 31097 1 144 . 1 . 1 53 53 VAL H H 1 8.576 . . . . . . . A 49 VAL H . 31097 1 145 . 1 . 1 53 53 VAL C C 13 176.248 . . . . . . . A 49 VAL C . 31097 1 146 . 1 . 1 53 53 VAL CA C 13 61.552 . . . . . . . A 49 VAL CA . 31097 1 147 . 1 . 1 53 53 VAL CB C 13 32.656 . . . . . . . A 49 VAL CB . 31097 1 148 . 1 . 1 53 53 VAL N N 15 123.151 . . . . . . . A 49 VAL N . 31097 1 149 . 1 . 1 54 54 LEU H H 1 8.306 . . . . . . . A 50 LEU H . 31097 1 150 . 1 . 1 54 54 LEU C C 13 177.345 . . . . . . . A 50 LEU C . 31097 1 151 . 1 . 1 54 54 LEU CA C 13 55.384 . . . . . . . A 50 LEU CA . 31097 1 152 . 1 . 1 54 54 LEU CB C 13 42.368 . . . . . . . A 50 LEU CB . 31097 1 153 . 1 . 1 54 54 LEU N N 15 125.953 . . . . . . . A 50 LEU N . 31097 1 154 . 1 . 1 55 55 GLU H H 1 8.383 . . . . . . . A 51 GLU H . 31097 1 155 . 1 . 1 55 55 GLU CA C 13 57.017 . . . . . . . A 51 GLU CA . 31097 1 156 . 1 . 1 55 55 GLU CB C 13 30.296 . . . . . . . A 51 GLU CB . 31097 1 157 . 1 . 1 55 55 GLU N N 15 121.570 . . . . . . . A 51 GLU N . 31097 1 158 . 1 . 1 57 57 THR C C 13 174.152 . . . . . . . A 53 THR C . 31097 1 159 . 1 . 1 58 58 ALA H H 1 8.639 . . . . . . . A 54 ALA H . 31097 1 160 . 1 . 1 58 58 ALA C C 13 178.764 . . . . . . . A 54 ALA C . 31097 1 161 . 1 . 1 58 58 ALA CA C 13 54.608 . . . . . . . A 54 ALA CA . 31097 1 162 . 1 . 1 58 58 ALA CB C 13 18.816 . . . . . . . A 54 ALA CB . 31097 1 163 . 1 . 1 58 58 ALA N N 15 119.118 . . . . . . . A 54 ALA N . 31097 1 164 . 1 . 1 59 59 THR H H 1 7.879 . . . . . . . A 55 THR H . 31097 1 165 . 1 . 1 59 59 THR C C 13 173.749 . . . . . . . A 55 THR C . 31097 1 166 . 1 . 1 59 59 THR CA C 13 61.336 . . . . . . . A 55 THR CA . 31097 1 167 . 1 . 1 59 59 THR CB C 13 70.197 . . . . . . . A 55 THR CB . 31097 1 168 . 1 . 1 59 59 THR N N 15 102.621 . . . . . . . A 55 THR N . 31097 1 169 . 1 . 1 60 60 VAL H H 1 7.529 . . . . . . . A 56 VAL H . 31097 1 170 . 1 . 1 60 60 VAL C C 13 175.160 . . . . . . . A 56 VAL C . 31097 1 171 . 1 . 1 60 60 VAL CA C 13 62.589 . . . . . . . A 56 VAL CA . 31097 1 172 . 1 . 1 60 60 VAL CB C 13 34.074 . . . . . . . A 56 VAL CB . 31097 1 173 . 1 . 1 60 60 VAL N N 15 125.144 . . . . . . . A 56 VAL N . 31097 1 174 . 1 . 1 61 61 VAL H H 1 7.812 . . . . . . . A 57 VAL H . 31097 1 175 . 1 . 1 61 61 VAL CA C 13 58.659 . . . . . . . A 57 VAL CA . 31097 1 176 . 1 . 1 61 61 VAL CB C 13 29.539 . . . . . . . A 57 VAL CB . 31097 1 177 . 1 . 1 61 61 VAL N N 15 126.389 . . . . . . . A 57 VAL N . 31097 1 178 . 1 . 1 62 62 ASN C C 13 176.272 . . . . . . . A 58 ASN C . 31097 1 179 . 1 . 1 63 63 LEU H H 1 8.248 . . . . . . . A 59 LEU H . 31097 1 180 . 1 . 1 63 63 LEU C C 13 176.704 . . . . . . . A 59 LEU C . 31097 1 181 . 1 . 1 63 63 LEU CA C 13 55.652 . . . . . . . A 59 LEU CA . 31097 1 182 . 1 . 1 63 63 LEU CB C 13 42.233 . . . . . . . A 59 LEU CB . 31097 1 183 . 1 . 1 63 63 LEU N N 15 123.740 . . . . . . . A 59 LEU N . 31097 1 184 . 1 . 1 64 64 VAL H H 1 8.175 . . . . . . . A 60 VAL H . 31097 1 185 . 1 . 1 64 64 VAL C C 13 174.386 . . . . . . . A 60 VAL C . 31097 1 186 . 1 . 1 64 64 VAL CA C 13 62.345 . . . . . . . A 60 VAL CA . 31097 1 187 . 1 . 1 64 64 VAL CB C 13 32.590 . . . . . . . A 60 VAL CB . 31097 1 188 . 1 . 1 64 64 VAL N N 15 122.608 . . . . . . . A 60 VAL N . 31097 1 189 . 1 . 1 65 65 LEU H H 1 8.296 . . . . . . . A 61 LEU H . 31097 1 190 . 1 . 1 65 65 LEU CA C 13 52.721 . . . . . . . A 61 LEU CA . 31097 1 191 . 1 . 1 65 65 LEU CB C 13 42.360 . . . . . . . A 61 LEU CB . 31097 1 192 . 1 . 1 65 65 LEU N N 15 126.110 . . . . . . . A 61 LEU N . 31097 1 193 . 1 . 1 69 69 PRO C C 13 176.569 . . . . . . . A 65 PRO C . 31097 1 194 . 1 . 1 70 70 ALA H H 1 8.279 . . . . . . . A 66 ALA H . 31097 1 195 . 1 . 1 70 70 ALA C C 13 177.707 . . . . . . . A 66 ALA C . 31097 1 196 . 1 . 1 70 70 ALA CA C 13 52.178 . . . . . . . A 66 ALA CA . 31097 1 197 . 1 . 1 70 70 ALA CB C 13 19.374 . . . . . . . A 66 ALA CB . 31097 1 198 . 1 . 1 70 70 ALA N N 15 124.636 . . . . . . . A 66 ALA N . 31097 1 199 . 1 . 1 71 71 GLU H H 1 8.361 . . . . . . . A 67 GLU H . 31097 1 200 . 1 . 1 71 71 GLU C C 13 177.118 . . . . . . . A 67 GLU C . 31097 1 201 . 1 . 1 71 71 GLU CA C 13 56.981 . . . . . . . A 67 GLU CA . 31097 1 202 . 1 . 1 71 71 GLU CB C 13 30.098 . . . . . . . A 67 GLU CB . 31097 1 203 . 1 . 1 71 71 GLU N N 15 119.882 . . . . . . . A 67 GLU N . 31097 1 204 . 1 . 1 72 72 GLY H H 1 8.421 . . . . . . . A 68 GLY H . 31097 1 205 . 1 . 1 72 72 GLY C C 13 173.964 . . . . . . . A 68 GLY C . 31097 1 206 . 1 . 1 72 72 GLY CA C 13 45.219 . . . . . . . A 68 GLY CA . 31097 1 207 . 1 . 1 72 72 GLY N N 15 110.339 . . . . . . . A 68 GLY N . 31097 1 208 . 1 . 1 73 73 GLU H H 1 8.122 . . . . . . . A 69 GLU H . 31097 1 209 . 1 . 1 73 73 GLU C C 13 176.434 . . . . . . . A 69 GLU C . 31097 1 210 . 1 . 1 73 73 GLU CA C 13 56.450 . . . . . . . A 69 GLU CA . 31097 1 211 . 1 . 1 73 73 GLU CB C 13 30.477 . . . . . . . A 69 GLU CB . 31097 1 212 . 1 . 1 73 73 GLU N N 15 120.178 . . . . . . . A 69 GLU N . 31097 1 213 . 1 . 1 74 74 LEU H H 1 8.347 . . . . . . . A 70 LEU H . 31097 1 214 . 1 . 1 74 74 LEU C C 13 177.239 . . . . . . . A 70 LEU C . 31097 1 215 . 1 . 1 74 74 LEU CA C 13 55.102 . . . . . . . A 70 LEU CA . 31097 1 216 . 1 . 1 74 74 LEU CB C 13 42.606 . . . . . . . A 70 LEU CB . 31097 1 217 . 1 . 1 74 74 LEU N N 15 123.190 . . . . . . . A 70 LEU N . 31097 1 218 . 1 . 1 75 75 SER H H 1 8.616 . . . . . . . A 71 SER H . 31097 1 219 . 1 . 1 75 75 SER C C 13 174.596 . . . . . . . A 71 SER C . 31097 1 220 . 1 . 1 75 75 SER CA C 13 58.007 . . . . . . . A 71 SER CA . 31097 1 221 . 1 . 1 75 75 SER CB C 13 64.541 . . . . . . . A 71 SER CB . 31097 1 222 . 1 . 1 75 75 SER N N 15 117.674 . . . . . . . A 71 SER N . 31097 1 223 . 1 . 1 76 76 ASP H H 1 8.533 . . . . . . . A 72 ASP H . 31097 1 224 . 1 . 1 76 76 ASP C C 13 177.147 . . . . . . . A 72 ASP C . 31097 1 225 . 1 . 1 76 76 ASP CA C 13 55.501 . . . . . . . A 72 ASP CA . 31097 1 226 . 1 . 1 76 76 ASP CB C 13 40.865 . . . . . . . A 72 ASP CB . 31097 1 227 . 1 . 1 76 76 ASP N N 15 122.579 . . . . . . . A 72 ASP N . 31097 1 228 . 1 . 1 77 77 GLU H H 1 8.415 . . . . . . . A 73 GLU H . 31097 1 229 . 1 . 1 77 77 GLU C C 13 176.905 . . . . . . . A 73 GLU C . 31097 1 230 . 1 . 1 77 77 GLU CA C 13 57.647 . . . . . . . A 73 GLU CA . 31097 1 231 . 1 . 1 77 77 GLU CB C 13 30.059 . . . . . . . A 73 GLU CB . 31097 1 232 . 1 . 1 77 77 GLU N N 15 120.461 . . . . . . . A 73 GLU N . 31097 1 233 . 1 . 1 78 78 ASP H H 1 8.215 . . . . . . . A 74 ASP H . 31097 1 234 . 1 . 1 78 78 ASP C C 13 177.035 . . . . . . . A 74 ASP C . 31097 1 235 . 1 . 1 78 78 ASP CA C 13 55.091 . . . . . . . A 74 ASP CA . 31097 1 236 . 1 . 1 78 78 ASP CB C 13 41.234 . . . . . . . A 74 ASP CB . 31097 1 237 . 1 . 1 78 78 ASP N N 15 121.049 . . . . . . . A 74 ASP N . 31097 1 238 . 1 . 1 79 79 LEU H H 1 8.235 . . . . . . . A 75 LEU H . 31097 1 239 . 1 . 1 79 79 LEU C C 13 178.547 . . . . . . . A 75 LEU C . 31097 1 240 . 1 . 1 79 79 LEU CA C 13 56.291 . . . . . . . A 75 LEU CA . 31097 1 241 . 1 . 1 79 79 LEU CB C 13 41.821 . . . . . . . A 75 LEU CB . 31097 1 242 . 1 . 1 79 79 LEU N N 15 122.598 . . . . . . . A 75 LEU N . 31097 1 243 . 1 . 1 80 80 GLY H H 1 8.392 . . . . . . . A 76 GLY H . 31097 1 244 . 1 . 1 80 80 GLY C C 13 174.561 . . . . . . . A 76 GLY C . 31097 1 245 . 1 . 1 80 80 GLY CA C 13 45.798 . . . . . . . A 76 GLY CA . 31097 1 246 . 1 . 1 80 80 GLY N N 15 108.127 . . . . . . . A 76 GLY N . 31097 1 247 . 1 . 1 81 81 ALA H H 1 7.931 . . . . . . . A 77 ALA H . 31097 1 248 . 1 . 1 81 81 ALA C C 13 178.112 . . . . . . . A 77 ALA C . 31097 1 249 . 1 . 1 81 81 ALA CA C 13 53.028 . . . . . . . A 77 ALA CA . 31097 1 250 . 1 . 1 81 81 ALA CB C 13 19.163 . . . . . . . A 77 ALA CB . 31097 1 251 . 1 . 1 81 81 ALA N N 15 123.123 . . . . . . . A 77 ALA N . 31097 1 252 . 1 . 1 82 82 VAL H H 1 8.083 . . . . . . . A 78 VAL H . 31097 1 253 . 1 . 1 82 82 VAL C C 13 176.816 . . . . . . . A 78 VAL C . 31097 1 254 . 1 . 1 82 82 VAL CA C 13 62.618 . . . . . . . A 78 VAL CA . 31097 1 255 . 1 . 1 82 82 VAL CB C 13 32.586 . . . . . . . A 78 VAL CB . 31097 1 256 . 1 . 1 82 82 VAL N N 15 118.916 . . . . . . . A 78 VAL N . 31097 1 257 . 1 . 1 83 83 THR H H 1 8.213 . . . . . . . A 79 THR H . 31097 1 258 . 1 . 1 83 83 THR C C 13 175.377 . . . . . . . A 79 THR C . 31097 1 259 . 1 . 1 83 83 THR CA C 13 62.344 . . . . . . . A 79 THR CA . 31097 1 260 . 1 . 1 83 83 THR CB C 13 69.977 . . . . . . . A 79 THR CB . 31097 1 261 . 1 . 1 83 83 THR N N 15 117.105 . . . . . . . A 79 THR N . 31097 1 262 . 1 . 1 84 84 GLY H H 1 8.283 . . . . . . . A 80 GLY H . 31097 1 263 . 1 . 1 84 84 GLY C C 13 174.594 . . . . . . . A 80 GLY C . 31097 1 264 . 1 . 1 84 84 GLY CA C 13 45.689 . . . . . . . A 80 GLY CA . 31097 1 265 . 1 . 1 84 84 GLY N N 15 110.610 . . . . . . . A 80 GLY N . 31097 1 266 . 1 . 1 85 85 GLY H H 1 8.222 . . . . . . . A 81 GLY H . 31097 1 267 . 1 . 1 85 85 GLY C C 13 173.959 . . . . . . . A 81 GLY C . 31097 1 268 . 1 . 1 85 85 GLY CA C 13 45.372 . . . . . . . A 81 GLY CA . 31097 1 269 . 1 . 1 85 85 GLY N N 15 108.194 . . . . . . . A 81 GLY N . 31097 1 270 . 1 . 1 86 86 LEU H H 1 8.023 . . . . . . . A 82 LEU H . 31097 1 271 . 1 . 1 86 86 LEU C C 13 177.239 . . . . . . . A 82 LEU C . 31097 1 272 . 1 . 1 86 86 LEU CA C 13 55.209 . . . . . . . A 82 LEU CA . 31097 1 273 . 1 . 1 86 86 LEU CB C 13 42.568 . . . . . . . A 82 LEU CB . 31097 1 274 . 1 . 1 86 86 LEU N N 15 121.095 . . . . . . . A 82 LEU N . 31097 1 275 . 1 . 1 87 87 THR H H 1 8.167 . . . . . . . A 83 THR H . 31097 1 276 . 1 . 1 87 87 THR C C 13 174.097 . . . . . . . A 83 THR C . 31097 1 277 . 1 . 1 87 87 THR CA C 13 62.438 . . . . . . . A 83 THR CA . 31097 1 278 . 1 . 1 87 87 THR CB C 13 69.840 . . . . . . . A 83 THR CB . 31097 1 279 . 1 . 1 87 87 THR N N 15 114.984 . . . . . . . A 83 THR N . 31097 1 280 . 1 . 1 88 88 VAL H H 1 8.135 . . . . . . . A 84 VAL H . 31097 1 281 . 1 . 1 88 88 VAL C C 13 175.605 . . . . . . . A 84 VAL C . 31097 1 282 . 1 . 1 88 88 VAL CA C 13 62.432 . . . . . . . A 84 VAL CA . 31097 1 283 . 1 . 1 88 88 VAL CB C 13 32.748 . . . . . . . A 84 VAL CB . 31097 1 284 . 1 . 1 88 88 VAL N N 15 123.524 . . . . . . . A 84 VAL N . 31097 1 285 . 1 . 1 89 89 LEU H H 1 8.340 . . . . . . . A 85 LEU H . 31097 1 286 . 1 . 1 89 89 LEU CA C 13 52.683 . . . . . . . A 85 LEU CA . 31097 1 287 . 1 . 1 89 89 LEU CB C 13 41.634 . . . . . . . A 85 LEU CB . 31097 1 288 . 1 . 1 89 89 LEU N N 15 127.994 . . . . . . . A 85 LEU N . 31097 1 289 . 1 . 1 90 90 PRO C C 13 175.478 . . . . . . . A 86 PRO C . 31097 1 290 . 1 . 1 91 91 TRP H H 1 7.305 . . . . . . . A 87 TRP H . 31097 1 291 . 1 . 1 91 91 TRP CA C 13 58.284 . . . . . . . A 87 TRP CA . 31097 1 292 . 1 . 1 91 91 TRP CB C 13 29.772 . . . . . . . A 87 TRP CB . 31097 1 293 . 1 . 1 91 91 TRP N N 15 125.028 . . . . . . . A 87 TRP N . 31097 1 stop_ save_