################################### # 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 26620 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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' . . . 26620 1 2 '2D 1H-13C HSQC' . . . 26620 1 3 '3D HNCACB' . . . 26620 1 4 '3D methyl CCH-TOCSY' . . . 26620 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 1 1 ALA CB C 13 16.818 0.3 . . . . . . 1 ALA CB . 26620 1 2 . 1 1 1 1 ALA HB1 H 1 1.523 0.02 . . . . . . 1 ALA MB . 26620 1 3 . 1 1 1 1 ALA HB2 H 1 1.523 0.02 . . . . . . 1 ALA MB . 26620 1 4 . 1 1 1 1 ALA HB3 H 1 1.523 0.02 . . . . . . 1 ALA MB . 26620 1 5 . 1 1 3 3 VAL CG1 C 13 18.421 0.3 . . . . . . 3 VAL CG1 . 26620 1 6 . 1 1 3 3 VAL CG2 C 13 17.823 0.3 . . . . . . 3 VAL CG2 . 26620 1 7 . 1 1 3 3 VAL H H 1 8.283 0.02 . . . . . . 3 VAL CG2 . 26620 1 8 . 1 1 3 3 VAL HG11 H 1 0.779 0.02 . . . . . . 3 VAL MG1 . 26620 1 9 . 1 1 3 3 VAL HG12 H 1 0.779 0.02 . . . . . . 3 VAL MG1 . 26620 1 10 . 1 1 3 3 VAL HG13 H 1 0.779 0.02 . . . . . . 3 VAL MG1 . 26620 1 11 . 1 1 3 3 VAL HG21 H 1 0.867 0.02 . . . . . . 3 VAL MG2 . 26620 1 12 . 1 1 3 3 VAL HG22 H 1 0.867 0.02 . . . . . . 3 VAL MG2 . 26620 1 13 . 1 1 3 3 VAL HG23 H 1 0.867 0.02 . . . . . . 3 VAL MG2 . 26620 1 14 . 1 1 3 3 VAL N N 15 122.761 0.2 . . . . . . 3 VAL N . 26620 1 15 . 1 1 4 4 ILE CD1 C 13 11.177 0.3 . . . . . . 4 ILE CD1 . 26620 1 16 . 1 1 4 4 ILE CG2 C 13 14.463 0.3 . . . . . . 4 ILE CG2 . 26620 1 17 . 1 1 4 4 ILE H H 1 7.838 0.02 . . . . . . 4 ILE CG2 . 26620 1 18 . 1 1 4 4 ILE HD11 H 1 0.883 0.02 . . . . . . 4 ILE MD1 . 26620 1 19 . 1 1 4 4 ILE HD12 H 1 0.883 0.02 . . . . . . 4 ILE MD1 . 26620 1 20 . 1 1 4 4 ILE HD13 H 1 0.883 0.02 . . . . . . 4 ILE MD1 . 26620 1 21 . 1 1 4 4 ILE HG21 H 1 0.841 0.02 . . . . . . 4 ILE MG2 . 26620 1 22 . 1 1 4 4 ILE HG22 H 1 0.841 0.02 . . . . . . 4 ILE MG2 . 26620 1 23 . 1 1 4 4 ILE HG23 H 1 0.841 0.02 . . . . . . 4 ILE MG2 . 26620 1 24 . 1 1 4 4 ILE N N 15 126.860 0.2 . . . . . . 4 ILE N . 26620 1 25 . 1 1 5 5 ASN H H 1 8.076 0.02 . . . . . . 5 ASN N . 26620 1 26 . 1 1 5 5 ASN N N 15 124.076 0.2 . . . . . . 5 ASN N . 26620 1 27 . 1 1 6 6 THR CG2 C 13 19.500 0.3 . . . . . . 6 THR CG2 . 26620 1 28 . 1 1 6 6 THR H H 1 7.204 0.02 . . . . . . 6 THR CG2 . 26620 1 29 . 1 1 6 6 THR HG21 H 1 1.420 0.02 . . . . . . 6 THR MG2 . 26620 1 30 . 1 1 6 6 THR HG22 H 1 1.420 0.02 . . . . . . 6 THR MG2 . 26620 1 31 . 1 1 6 6 THR HG23 H 1 1.420 0.02 . . . . . . 6 THR MG2 . 26620 1 32 . 1 1 6 6 THR N N 15 107.851 0.2 . . . . . . 6 THR N . 26620 1 33 . 1 1 7 7 PHE H H 1 8.914 0.02 . . . . . . 7 PHE N . 26620 1 34 . 1 1 7 7 PHE N N 15 120.559 0.2 . . . . . . 7 PHE N . 26620 1 35 . 1 1 8 8 ASP H H 1 8.636 0.02 . . . . . . 8 ASP N . 26620 1 36 . 1 1 8 8 ASP N N 15 114.355 0.2 . . . . . . 8 ASP N . 26620 1 37 . 1 1 9 9 GLY H H 1 7.919 0.02 . . . . . . 9 GLY N . 26620 1 38 . 1 1 9 9 GLY N N 15 106.852 0.2 . . . . . . 9 GLY N . 26620 1 39 . 1 1 10 10 VAL CG1 C 13 19.557 0.3 . . . . . . 10 VAL CG1 . 26620 1 40 . 1 1 10 10 VAL CG2 C 13 22.468 0.3 . . . . . . 10 VAL CG2 . 26620 1 41 . 1 1 10 10 VAL H H 1 8.909 0.02 . . . . . . 10 VAL CG2 . 26620 1 42 . 1 1 10 10 VAL HG11 H 1 0.726 0.02 . . . . . . 10 VAL MG1 . 26620 1 43 . 1 1 10 10 VAL HG12 H 1 0.726 0.02 . . . . . . 10 VAL MG1 . 26620 1 44 . 1 1 10 10 VAL HG13 H 1 0.726 0.02 . . . . . . 10 VAL MG1 . 26620 1 45 . 1 1 10 10 VAL HG21 H 1 1.184 0.02 . . . . . . 10 VAL MG2 . 26620 1 46 . 1 1 10 10 VAL HG22 H 1 1.184 0.02 . . . . . . 10 VAL MG2 . 26620 1 47 . 1 1 10 10 VAL HG23 H 1 1.184 0.02 . . . . . . 10 VAL MG2 . 26620 1 48 . 1 1 10 10 VAL N N 15 123.311 0.2 . . . . . . 10 VAL N . 26620 1 49 . 1 1 11 11 ALA CB C 13 15.669 0.3 . . . . . . 11 ALA CB . 26620 1 50 . 1 1 11 11 ALA H H 1 8.326 0.02 . . . . . . 11 ALA CB . 26620 1 51 . 1 1 11 11 ALA HB1 H 1 1.598 0.02 . . . . . . 11 ALA MB . 26620 1 52 . 1 1 11 11 ALA HB2 H 1 1.598 0.02 . . . . . . 11 ALA MB . 26620 1 53 . 1 1 11 11 ALA HB3 H 1 1.598 0.02 . . . . . . 11 ALA MB . 26620 1 54 . 1 1 11 11 ALA N N 15 122.221 0.2 . . . . . . 11 ALA N . 26620 1 55 . 1 1 12 12 ASP H H 1 8.125 0.02 . . . . . . 12 ASP N . 26620 1 56 . 1 1 12 12 ASP N N 15 116.422 0.2 . . . . . . 12 ASP N . 26620 1 57 . 1 1 13 13 TYR H H 1 8.036 0.02 . . . . . . 13 TYR N . 26620 1 58 . 1 1 13 13 TYR N N 15 124.645 0.2 . . . . . . 13 TYR N . 26620 1 59 . 1 1 14 14 LEU CD1 C 13 23.988 0.3 . . . . . . 14 LEU CD1 . 26620 1 60 . 1 1 14 14 LEU CD2 C 13 18.938 0.3 . . . . . . 14 LEU CD2 . 26620 1 61 . 1 1 14 14 LEU H H 1 9.146 0.02 . . . . . . 14 LEU CD2 . 26620 1 62 . 1 1 14 14 LEU HD11 H 1 0.452 0.02 . . . . . . 14 LEU MD1 . 26620 1 63 . 1 1 14 14 LEU HD12 H 1 0.452 0.02 . . . . . . 14 LEU MD1 . 26620 1 64 . 1 1 14 14 LEU HD13 H 1 0.452 0.02 . . . . . . 14 LEU MD1 . 26620 1 65 . 1 1 14 14 LEU HD21 H 1 0.157 0.02 . . . . . . 14 LEU MD2 . 26620 1 66 . 1 1 14 14 LEU HD22 H 1 0.157 0.02 . . . . . . 14 LEU MD2 . 26620 1 67 . 1 1 14 14 LEU HD23 H 1 0.157 0.02 . . . . . . 14 LEU MD2 . 26620 1 68 . 1 1 14 14 LEU N N 15 120.224 0.2 . . . . . . 14 LEU N . 26620 1 69 . 1 1 15 15 GLN H H 1 8.062 0.02 . . . . . . 15 GLN N . 26620 1 70 . 1 1 15 15 GLN N N 15 115.791 0.2 . . . . . . 15 GLN N . 26620 1 71 . 1 1 16 16 THR CG2 C 13 17.384 0.3 . . . . . . 16 THR CG . 26620 1 72 . 1 1 16 16 THR H H 1 7.600 0.02 . . . . . . 16 THR CG . 26620 1 73 . 1 1 16 16 THR HG21 H 1 0.133 0.02 . . . . . . 16 THR MG . 26620 1 74 . 1 1 16 16 THR HG22 H 1 0.133 0.02 . . . . . . 16 THR MG . 26620 1 75 . 1 1 16 16 THR HG23 H 1 0.133 0.02 . . . . . . 16 THR MG . 26620 1 76 . 1 1 16 16 THR N N 15 113.841 0.2 . . . . . . 16 THR N . 26620 1 77 . 1 1 17 17 TYR H H 1 8.435 0.02 . . . . . . 17 TYR N . 26620 1 78 . 1 1 17 17 TYR N N 15 116.747 0.2 . . . . . . 17 TYR N . 26620 1 79 . 1 1 18 18 HIS H H 1 8.087 0.02 . . . . . . 18 HIS N . 26620 1 80 . 1 1 18 18 HIS N N 15 114.859 0.2 . . . . . . 18 HIS N . 26620 1 81 . 1 1 19 19 LYS H H 1 7.427 0.02 . . . . . . 19 LYS N . 26620 1 82 . 1 1 19 19 LYS N N 15 110.991 0.2 . . . . . . 19 LYS N . 26620 1 83 . 1 1 20 20 LEU CD1 C 13 23.056 0.3 . . . . . . 20 LEU CD1 . 26620 1 84 . 1 1 20 20 LEU CD2 C 13 19.993 0.3 . . . . . . 20 LEU CD2 . 26620 1 85 . 1 1 20 20 LEU H H 1 8.326 0.02 . . . . . . 20 LEU CD2 . 26620 1 86 . 1 1 20 20 LEU HD11 H 1 0.622 0.02 . . . . . . 20 LEU MD1 . 26620 1 87 . 1 1 20 20 LEU HD12 H 1 0.622 0.02 . . . . . . 20 LEU MD1 . 26620 1 88 . 1 1 20 20 LEU HD13 H 1 0.622 0.02 . . . . . . 20 LEU MD1 . 26620 1 89 . 1 1 20 20 LEU HD21 H 1 0.121 0.02 . . . . . . 20 LEU MD2 . 26620 1 90 . 1 1 20 20 LEU HD22 H 1 0.121 0.02 . . . . . . 20 LEU MD2 . 26620 1 91 . 1 1 20 20 LEU HD23 H 1 0.121 0.02 . . . . . . 20 LEU MD2 . 26620 1 92 . 1 1 20 20 LEU N N 15 118.016 0.2 . . . . . . 20 LEU N . 26620 1 93 . 1 1 22 22 ASP H H 1 8.505 0.02 . . . . . . 22 ASP N . 26620 1 94 . 1 1 22 22 ASP N N 15 118.531 0.2 . . . . . . 22 ASP N . 26620 1 95 . 1 1 23 23 ASN H H 1 8.424 0.02 . . . . . . 23 ASN N . 26620 1 96 . 1 1 23 23 ASN N N 15 112.438 0.2 . . . . . . 23 ASN N . 26620 1 97 . 1 1 24 24 TYR H H 1 7.368 0.02 . . . . . . 24 TYR N . 26620 1 98 . 1 1 24 24 TYR N N 15 119.424 0.2 . . . . . . 24 TYR N . 26620 1 99 . 1 1 25 25 ILE CD1 C 13 11.261 0.3 . . . . . . 25 ILE CD1 . 26620 1 100 . 1 1 25 25 ILE CG2 C 13 15.144 0.3 . . . . . . 25 ILE CG2 . 26620 1 101 . 1 1 25 25 ILE H H 1 9.007 0.02 . . . . . . 25 ILE CG2 . 26620 1 102 . 1 1 25 25 ILE HD11 H 1 0.485 0.02 . . . . . . 25 ILE MD1 . 26620 1 103 . 1 1 25 25 ILE HD12 H 1 0.485 0.02 . . . . . . 25 ILE MD1 . 26620 1 104 . 1 1 25 25 ILE HD13 H 1 0.485 0.02 . . . . . . 25 ILE MD1 . 26620 1 105 . 1 1 25 25 ILE HG21 H 1 0.804 0.02 . . . . . . 25 ILE MG2 . 26620 1 106 . 1 1 25 25 ILE HG22 H 1 0.804 0.02 . . . . . . 25 ILE MG2 . 26620 1 107 . 1 1 25 25 ILE HG23 H 1 0.804 0.02 . . . . . . 25 ILE MG2 . 26620 1 108 . 1 1 25 25 ILE N N 15 118.308 0.2 . . . . . . 25 ILE N . 26620 1 109 . 1 1 26 26 THR CG2 C 13 19.432 0.3 . . . . . . 26 THR CG2 . 26620 1 110 . 1 1 26 26 THR H H 1 8.586 0.02 . . . . . . 26 THR CG2 . 26620 1 111 . 1 1 26 26 THR HG21 H 1 1.386 0.02 . . . . . . 26 THR MG2 . 26620 1 112 . 1 1 26 26 THR HG22 H 1 1.386 0.02 . . . . . . 26 THR MG2 . 26620 1 113 . 1 1 26 26 THR HG23 H 1 1.386 0.02 . . . . . . 26 THR MG2 . 26620 1 114 . 1 1 26 26 THR N N 15 113.192 0.2 . . . . . . 26 THR N . 26620 1 115 . 1 1 27 27 LYS H H 1 10.098 0.02 . . . . . . 27 LYS N . 26620 1 116 . 1 1 27 27 LYS N N 15 121.312 0.2 . . . . . . 27 LYS N . 26620 1 117 . 1 1 28 28 SER H H 1 9.133 0.02 . . . . . . 28 SER N . 26620 1 118 . 1 1 28 28 SER N N 15 114.226 0.2 . . . . . . 28 SER N . 26620 1 119 . 1 1 29 29 GLU H H 1 7.666 0.02 . . . . . . 29 GLU N . 26620 1 120 . 1 1 29 29 GLU N N 15 124.601 0.2 . . . . . . 29 GLU N . 26620 1 121 . 1 1 30 30 ALA CB C 13 15.483 0.3 . . . . . . 30 ALA CB . 26620 1 122 . 1 1 30 30 ALA H H 1 8.812 0.02 . . . . . . 30 ALA CB . 26620 1 123 . 1 1 30 30 ALA HB1 H 1 1.229 0.02 . . . . . . 30 ALA MB . 26620 1 124 . 1 1 30 30 ALA HB2 H 1 1.229 0.02 . . . . . . 30 ALA MB . 26620 1 125 . 1 1 30 30 ALA HB3 H 1 1.229 0.02 . . . . . . 30 ALA MB . 26620 1 126 . 1 1 30 30 ALA N N 15 122.446 0.2 . . . . . . 30 ALA N . 26620 1 127 . 1 1 31 31 GLN H H 1 9.297 0.02 . . . . . . 31 GLN N . 26620 1 128 . 1 1 31 31 GLN N N 15 120.521 0.2 . . . . . . 31 GLN N . 26620 1 129 . 1 1 32 32 ALA CB C 13 15.228 0.3 . . . . . . 32 ALA CB . 26620 1 130 . 1 1 32 32 ALA H H 1 7.922 0.02 . . . . . . 32 ALA CB . 26620 1 131 . 1 1 32 32 ALA HB1 H 1 1.642 0.02 . . . . . . 32 ALA MB . 26620 1 132 . 1 1 32 32 ALA HB2 H 1 1.642 0.02 . . . . . . 32 ALA MB . 26620 1 133 . 1 1 32 32 ALA HB3 H 1 1.642 0.02 . . . . . . 32 ALA MB . 26620 1 134 . 1 1 32 32 ALA N N 15 123.698 0.2 . . . . . . 32 ALA N . 26620 1 135 . 1 1 33 33 LEU CD1 C 13 23.335 0.3 . . . . . . 33 LEU CD1 . 26620 1 136 . 1 1 33 33 LEU CD2 C 13 19.840 0.3 . . . . . . 33 LEU CD2 . 26620 1 137 . 1 1 33 33 LEU H H 1 7.406 0.02 . . . . . . 33 LEU CD2 . 26620 1 138 . 1 1 33 33 LEU HD11 H 1 0.863 0.02 . . . . . . 33 LEU MD1 . 26620 1 139 . 1 1 33 33 LEU HD12 H 1 0.863 0.02 . . . . . . 33 LEU MD1 . 26620 1 140 . 1 1 33 33 LEU HD13 H 1 0.863 0.02 . . . . . . 33 LEU MD1 . 26620 1 141 . 1 1 33 33 LEU HD21 H 1 0.960 0.02 . . . . . . 33 LEU MD2 . 26620 1 142 . 1 1 33 33 LEU HD22 H 1 0.960 0.02 . . . . . . 33 LEU MD2 . 26620 1 143 . 1 1 33 33 LEU HD23 H 1 0.960 0.02 . . . . . . 33 LEU MD2 . 26620 1 144 . 1 1 33 33 LEU N N 15 117.013 0.2 . . . . . . 33 LEU N . 26620 1 145 . 1 1 34 34 GLY H H 1 7.772 0.02 . . . . . . 34 GLY N . 26620 1 146 . 1 1 34 34 GLY N N 15 104.034 0.2 . . . . . . 34 GLY N . 26620 1 147 . 1 1 35 35 TRP H H 1 8.311 0.02 . . . . . . 35 TRP N . 26620 1 148 . 1 1 35 35 TRP HE1 H 1 10.105 0.02 . . . . . . 35 TRP ME . 26620 1 149 . 1 1 35 35 TRP N N 15 123.514 0.2 . . . . . . 35 TRP N . 26620 1 150 . 1 1 35 35 TRP NE1 N 15 129.603 0.2 . . . . . . 35 TRP NE . 26620 1 151 . 1 1 36 36 VAL CG1 C 13 18.541 0.3 . . . . . . 36 VAL CG1 . 26620 1 152 . 1 1 36 36 VAL CG2 C 13 17.823 0.3 . . . . . . 36 VAL CG2 . 26620 1 153 . 1 1 36 36 VAL H H 1 8.816 0.02 . . . . . . 36 VAL CG2 . 26620 1 154 . 1 1 36 36 VAL HG11 H 1 0.850 0.02 . . . . . . 36 VAL MG1 . 26620 1 155 . 1 1 36 36 VAL HG12 H 1 0.850 0.02 . . . . . . 36 VAL MG1 . 26620 1 156 . 1 1 36 36 VAL HG13 H 1 0.850 0.02 . . . . . . 36 VAL MG1 . 26620 1 157 . 1 1 36 36 VAL HG21 H 1 0.867 0.02 . . . . . . 36 VAL MG2 . 26620 1 158 . 1 1 36 36 VAL HG22 H 1 0.867 0.02 . . . . . . 36 VAL MG2 . 26620 1 159 . 1 1 36 36 VAL HG23 H 1 0.867 0.02 . . . . . . 36 VAL MG2 . 26620 1 160 . 1 1 36 36 VAL N N 15 133.950 0.2 . . . . . . 36 VAL N . 26620 1 161 . 1 1 37 37 ALA CB C 13 15.646 0.3 . . . . . . 37 ALA CB . 26620 1 162 . 1 1 37 37 ALA H H 1 7.874 0.02 . . . . . . 37 ALA CB . 26620 1 163 . 1 1 37 37 ALA HB1 H 1 1.288 0.02 . . . . . . 37 ALA MB . 26620 1 164 . 1 1 37 37 ALA HB2 H 1 1.288 0.02 . . . . . . 37 ALA MB . 26620 1 165 . 1 1 37 37 ALA HB3 H 1 1.288 0.02 . . . . . . 37 ALA MB . 26620 1 166 . 1 1 37 37 ALA N N 15 130.837 0.2 . . . . . . 37 ALA N . 26620 1 167 . 1 1 38 38 SER H H 1 8.355 0.02 . . . . . . 38 SER N . 26620 1 168 . 1 1 38 38 SER N N 15 110.615 0.2 . . . . . . 38 SER N . 26620 1 169 . 1 1 39 39 LYS H H 1 7.864 0.02 . . . . . . 39 LYS N . 26620 1 170 . 1 1 39 39 LYS N N 15 119.860 0.2 . . . . . . 39 LYS N . 26620 1 171 . 1 1 40 40 GLY H H 1 7.757 0.02 . . . . . . 40 GLY N . 26620 1 172 . 1 1 40 40 GLY N N 15 107.827 0.2 . . . . . . 40 GLY N . 26620 1 173 . 1 1 41 41 ASN H H 1 7.459 0.02 . . . . . . 41 ASN N . 26620 1 174 . 1 1 41 41 ASN N N 15 114.597 0.2 . . . . . . 41 ASN N . 26620 1 175 . 1 1 42 42 LEU CD1 C 13 20.062 0.3 . . . . . . 42 LEU CD1 . 26620 1 176 . 1 1 42 42 LEU CD2 C 13 24.070 0.3 . . . . . . 42 LEU CD2 . 26620 1 177 . 1 1 42 42 LEU H H 1 8.154 0.02 . . . . . . 42 LEU CD2 . 26620 1 178 . 1 1 42 42 LEU HD11 H 1 0.195 0.02 . . . . . . 42 LEU MD1 . 26620 1 179 . 1 1 42 42 LEU HD12 H 1 0.195 0.02 . . . . . . 42 LEU MD1 . 26620 1 180 . 1 1 42 42 LEU HD13 H 1 0.195 0.02 . . . . . . 42 LEU MD1 . 26620 1 181 . 1 1 42 42 LEU HD21 H 1 0.119 0.02 . . . . . . 42 LEU MD2 . 26620 1 182 . 1 1 42 42 LEU HD22 H 1 0.119 0.02 . . . . . . 42 LEU MD2 . 26620 1 183 . 1 1 42 42 LEU HD23 H 1 0.119 0.02 . . . . . . 42 LEU MD2 . 26620 1 184 . 1 1 42 42 LEU N N 15 122.685 0.2 . . . . . . 42 LEU N . 26620 1 185 . 1 1 43 43 ALA CB C 13 15.745 0.3 . . . . . . 43 ALA CB . 26620 1 186 . 1 1 43 43 ALA H H 1 8.125 0.02 . . . . . . 43 ALA CB . 26620 1 187 . 1 1 43 43 ALA HB1 H 1 1.581 0.02 . . . . . . 43 ALA MB . 26620 1 188 . 1 1 43 43 ALA HB2 H 1 1.581 0.02 . . . . . . 43 ALA MB . 26620 1 189 . 1 1 43 43 ALA HB3 H 1 1.581 0.02 . . . . . . 43 ALA MB . 26620 1 190 . 1 1 43 43 ALA N N 15 116.422 0.2 . . . . . . 43 ALA N . 26620 1 191 . 1 1 44 44 ASP H H 1 7.319 0.02 . . . . . . 44 ASP N . 26620 1 192 . 1 1 44 44 ASP N N 15 114.895 0.2 . . . . . . 44 ASP N . 26620 1 193 . 1 1 45 45 VAL CG1 C 13 19.397 0.3 . . . . . . 45 VAL CG1 . 26620 1 194 . 1 1 45 45 VAL CG2 C 13 14.984 0.3 . . . . . . 45 VAL CG2 . 26620 1 195 . 1 1 45 45 VAL H H 1 7.222 0.02 . . . . . . 45 VAL CG2 . 26620 1 196 . 1 1 45 45 VAL HG11 H 1 0.923 0.02 . . . . . . 45 VAL MG1 . 26620 1 197 . 1 1 45 45 VAL HG12 H 1 0.923 0.02 . . . . . . 45 VAL MG1 . 26620 1 198 . 1 1 45 45 VAL HG13 H 1 0.923 0.02 . . . . . . 45 VAL MG1 . 26620 1 199 . 1 1 45 45 VAL HG21 H 1 0.899 0.02 . . . . . . 45 VAL MG2 . 26620 1 200 . 1 1 45 45 VAL HG22 H 1 0.899 0.02 . . . . . . 45 VAL MG2 . 26620 1 201 . 1 1 45 45 VAL HG23 H 1 0.899 0.02 . . . . . . 45 VAL MG2 . 26620 1 202 . 1 1 45 45 VAL N N 15 110.419 0.2 . . . . . . 45 VAL N . 26620 1 203 . 1 1 46 46 ALA CB C 13 15.586 0.3 . . . . . . 46 ALA CB . 26620 1 204 . 1 1 46 46 ALA H H 1 8.434 0.02 . . . . . . 46 ALA CB . 26620 1 205 . 1 1 46 46 ALA HB1 H 1 1.051 0.02 . . . . . . 46 ALA MB . 26620 1 206 . 1 1 46 46 ALA HB2 H 1 1.051 0.02 . . . . . . 46 ALA MB . 26620 1 207 . 1 1 46 46 ALA HB3 H 1 1.051 0.02 . . . . . . 46 ALA MB . 26620 1 208 . 1 1 46 46 ALA N N 15 125.644 0.2 . . . . . . 46 ALA N . 26620 1 209 . 1 1 48 48 GLY H H 1 8.626 0.02 . . . . . . 48 GLY N . 26620 1 210 . 1 1 48 48 GLY N N 15 112.208 0.2 . . . . . . 48 GLY N . 26620 1 211 . 1 1 49 49 LYS H H 1 7.864 0.02 . . . . . . 49 LYS N . 26620 1 212 . 1 1 49 49 LYS N N 15 119.860 0.2 . . . . . . 49 LYS N . 26620 1 213 . 1 1 50 50 SER H H 1 8.121 0.02 . . . . . . 50 SER N . 26620 1 214 . 1 1 50 50 SER N N 15 113.761 0.2 . . . . . . 50 SER N . 26620 1 215 . 1 1 51 51 ILE CD1 C 13 7.448 0.3 . . . . . . 51 ILE CD1 . 26620 1 216 . 1 1 51 51 ILE CG2 C 13 16.582 0.3 . . . . . . 51 ILE CG2 . 26620 1 217 . 1 1 51 51 ILE H H 1 8.596 0.02 . . . . . . 51 ILE CG2 . 26620 1 218 . 1 1 51 51 ILE HD11 H 1 -0.389 0.02 . . . . . . 51 ILE MD1 . 26620 1 219 . 1 1 51 51 ILE HD12 H 1 -0.389 0.02 . . . . . . 51 ILE MD1 . 26620 1 220 . 1 1 51 51 ILE HD13 H 1 -0.389 0.02 . . . . . . 51 ILE MD1 . 26620 1 221 . 1 1 51 51 ILE HG21 H 1 0.840 0.02 . . . . . . 51 ILE MG2 . 26620 1 222 . 1 1 51 51 ILE HG22 H 1 0.840 0.02 . . . . . . 51 ILE MG2 . 26620 1 223 . 1 1 51 51 ILE HG23 H 1 0.840 0.02 . . . . . . 51 ILE MG2 . 26620 1 224 . 1 1 51 51 ILE N N 15 123.968 0.2 . . . . . . 51 ILE N . 26620 1 225 . 1 1 52 52 GLY H H 1 9.236 0.02 . . . . . . 52 GLY N . 26620 1 226 . 1 1 52 52 GLY N N 15 114.216 0.2 . . . . . . 52 GLY N . 26620 1 227 . 1 1 53 53 GLY H H 1 9.616 0.02 . . . . . . 53 GLY N . 26620 1 228 . 1 1 53 53 GLY N N 15 107.220 0.2 . . . . . . 53 GLY N . 26620 1 229 . 1 1 54 54 ASP H H 1 8.635 0.02 . . . . . . 54 ASP N . 26620 1 230 . 1 1 54 54 ASP N N 15 122.004 0.2 . . . . . . 54 ASP N . 26620 1 231 . 1 1 55 55 ILE CD1 C 13 9.123 0.3 . . . . . . 55 ILE CD1 . 26620 1 232 . 1 1 55 55 ILE CG2 C 13 14.210 0.3 . . . . . . 55 ILE CG2 . 26620 1 233 . 1 1 55 55 ILE H H 1 8.263 0.02 . . . . . . 55 ILE CG2 . 26620 1 234 . 1 1 55 55 ILE HD11 H 1 0.908 0.02 . . . . . . 55 ILE MD1 . 26620 1 235 . 1 1 55 55 ILE HD12 H 1 0.908 0.02 . . . . . . 55 ILE MD1 . 26620 1 236 . 1 1 55 55 ILE HD13 H 1 0.908 0.02 . . . . . . 55 ILE MD1 . 26620 1 237 . 1 1 55 55 ILE HG21 H 1 0.895 0.02 . . . . . . 55 ILE MG2 . 26620 1 238 . 1 1 55 55 ILE HG22 H 1 0.895 0.02 . . . . . . 55 ILE MG2 . 26620 1 239 . 1 1 55 55 ILE HG23 H 1 0.895 0.02 . . . . . . 55 ILE MG2 . 26620 1 240 . 1 1 55 55 ILE N N 15 118.445 0.2 . . . . . . 55 ILE N . 26620 1 241 . 1 1 56 56 PHE H H 1 8.941 0.02 . . . . . . 56 PHE N . 26620 1 242 . 1 1 56 56 PHE N N 15 131.687 0.2 . . . . . . 56 PHE N . 26620 1 243 . 1 1 58 58 ASN H H 1 6.383 0.02 . . . . . . 58 ASN N . 26620 1 244 . 1 1 58 58 ASN N N 15 118.809 0.2 . . . . . . 58 ASN N . 26620 1 245 . 1 1 59 59 ARG H H 1 7.864 0.02 . . . . . . 59 ARG N . 26620 1 246 . 1 1 59 59 ARG N N 15 119.860 0.2 . . . . . . 59 ARG N . 26620 1 247 . 1 1 60 60 GLU H H 1 8.572 0.02 . . . . . . 60 GLU N . 26620 1 248 . 1 1 60 60 GLU N N 15 116.216 0.2 . . . . . . 60 GLU N . 26620 1 249 . 1 1 61 61 GLY H H 1 7.465 0.02 . . . . . . 61 GLY N . 26620 1 250 . 1 1 61 61 GLY N N 15 106.929 0.2 . . . . . . 61 GLY N . 26620 1 251 . 1 1 62 62 LYS H H 1 8.189 0.02 . . . . . . 62 LYS N . 26620 1 252 . 1 1 62 62 LYS N N 15 117.807 0.2 . . . . . . 62 LYS N . 26620 1 253 . 1 1 63 63 LEU CD1 C 13 21.496 0.3 . . . . . . 63 LEU CD1 . 26620 1 254 . 1 1 63 63 LEU CD2 C 13 18.546 0.3 . . . . . . 63 LEU CD2 . 26620 1 255 . 1 1 63 63 LEU H H 1 7.477 0.02 . . . . . . 63 LEU CD2 . 26620 1 256 . 1 1 63 63 LEU HD11 H 1 -1.164 0.02 . . . . . . 63 LEU MD1 . 26620 1 257 . 1 1 63 63 LEU HD12 H 1 -1.164 0.02 . . . . . . 63 LEU MD1 . 26620 1 258 . 1 1 63 63 LEU HD13 H 1 -1.164 0.02 . . . . . . 63 LEU MD1 . 26620 1 259 . 1 1 63 63 LEU HD21 H 1 -1.172 0.02 . . . . . . 63 LEU MD2 . 26620 1 260 . 1 1 63 63 LEU HD22 H 1 -1.172 0.02 . . . . . . 63 LEU MD2 . 26620 1 261 . 1 1 63 63 LEU HD23 H 1 -1.172 0.02 . . . . . . 63 LEU MD2 . 26620 1 262 . 1 1 63 63 LEU N N 15 119.080 0.2 . . . . . . 63 LEU N . 26620 1 263 . 1 1 65 65 GLY H H 1 8.658 0.02 . . . . . . 65 GLY N . 26620 1 264 . 1 1 65 65 GLY N N 15 114.860 0.2 . . . . . . 65 GLY N . 26620 1 265 . 1 1 66 66 LYS H H 1 8.214 0.02 . . . . . . 66 LYS N . 26620 1 266 . 1 1 66 66 LYS N N 15 121.023 0.2 . . . . . . 66 LYS N . 26620 1 267 . 1 1 68 68 GLY H H 1 8.798 0.02 . . . . . . 68 GLY N . 26620 1 268 . 1 1 68 68 GLY N N 15 115.332 0.2 . . . . . . 68 GLY N . 26620 1 269 . 1 1 69 69 ARG H H 1 8.044 0.02 . . . . . . 69 ARG N . 26620 1 270 . 1 1 69 69 ARG HE H 1 8.435 0.02 . . . . . . 69 ARG ME . 26620 1 271 . 1 1 69 69 ARG N N 15 121.926 0.2 . . . . . . 69 ARG N . 26620 1 272 . 1 1 69 69 ARG NE N 15 116.747 0.2 . . . . . . 69 ARG NE . 26620 1 273 . 1 1 70 70 THR CG2 C 13 18.801 0.3 . . . . . . 70 THR CG2 . 26620 1 274 . 1 1 70 70 THR H H 1 8.154 0.02 . . . . . . 70 THR CG2 . 26620 1 275 . 1 1 70 70 THR HG21 H 1 1.185 0.02 . . . . . . 70 THR MG2 . 26620 1 276 . 1 1 70 70 THR HG22 H 1 1.185 0.02 . . . . . . 70 THR MG2 . 26620 1 277 . 1 1 70 70 THR HG23 H 1 1.185 0.02 . . . . . . 70 THR MG2 . 26620 1 278 . 1 1 70 70 THR N N 15 122.685 0.2 . . . . . . 70 THR N . 26620 1 279 . 1 1 71 71 TRP H H 1 9.130 0.02 . . . . . . 71 TRP N . 26620 1 280 . 1 1 71 71 TRP HE1 H 1 8.828 0.02 . . . . . . 71 TRP ME . 26620 1 281 . 1 1 71 71 TRP N N 15 124.606 0.2 . . . . . . 71 TRP N . 26620 1 282 . 1 1 71 71 TRP NE1 N 15 125.738 0.2 . . . . . . 71 TRP NE . 26620 1 283 . 1 1 72 72 ARG H H 1 8.506 0.02 . . . . . . 72 ARG NE . 26620 1 284 . 1 1 72 72 ARG N N 15 121.641 0.2 . . . . . . 72 ARG N . 26620 1 285 . 1 1 73 73 GLU H H 1 8.177 0.02 . . . . . . 73 GLU N . 26620 1 286 . 1 1 73 73 GLU N N 15 114.219 0.2 . . . . . . 73 GLU N . 26620 1 287 . 1 1 74 74 ALA CB C 13 19.997 0.3 . . . . . . 74 ALA CB . 26620 1 288 . 1 1 74 74 ALA H H 1 9.109 0.02 . . . . . . 74 ALA CB . 26620 1 289 . 1 1 74 74 ALA HB1 H 1 1.251 0.02 . . . . . . 74 ALA MB . 26620 1 290 . 1 1 74 74 ALA HB2 H 1 1.251 0.02 . . . . . . 74 ALA MB . 26620 1 291 . 1 1 74 74 ALA HB3 H 1 1.251 0.02 . . . . . . 74 ALA MB . 26620 1 292 . 1 1 74 74 ALA N N 15 120.486 0.2 . . . . . . 74 ALA N . 26620 1 293 . 1 1 75 75 ASP H H 1 9.519 0.02 . . . . . . 75 ASP N . 26620 1 294 . 1 1 75 75 ASP N N 15 123.587 0.2 . . . . . . 75 ASP N . 26620 1 295 . 1 1 76 76 ILE CD1 C 13 5.710 0.3 . . . . . . 76 ILE CD1 . 26620 1 296 . 1 1 76 76 ILE CG2 C 13 12.420 0.3 . . . . . . 76 ILE CG2 . 26620 1 297 . 1 1 76 76 ILE H H 1 7.721 0.02 . . . . . . 76 ILE CG2 . 26620 1 298 . 1 1 76 76 ILE HD11 H 1 0.332 0.02 . . . . . . 76 ILE MD1 . 26620 1 299 . 1 1 76 76 ILE HD12 H 1 0.332 0.02 . . . . . . 76 ILE MD1 . 26620 1 300 . 1 1 76 76 ILE HD13 H 1 0.332 0.02 . . . . . . 76 ILE MD1 . 26620 1 301 . 1 1 76 76 ILE HG21 H 1 -0.271 0.02 . . . . . . 76 ILE MG2 . 26620 1 302 . 1 1 76 76 ILE HG22 H 1 -0.271 0.02 . . . . . . 76 ILE MG2 . 26620 1 303 . 1 1 76 76 ILE HG23 H 1 -0.271 0.02 . . . . . . 76 ILE MG2 . 26620 1 304 . 1 1 76 76 ILE N N 15 126.564 0.2 . . . . . . 76 ILE N . 26620 1 305 . 1 1 77 77 ASN H H 1 8.700 0.02 . . . . . . 77 ASN N . 26620 1 306 . 1 1 77 77 ASN N N 15 115.780 0.2 . . . . . . 77 ASN N . 26620 1 307 . 1 1 78 78 TYR H H 1 8.888 0.02 . . . . . . 78 TYR N . 26620 1 308 . 1 1 78 78 TYR N N 15 121.807 0.2 . . . . . . 78 TYR N . 26620 1 309 . 1 1 79 79 THR CG2 C 13 19.283 0.3 . . . . . . 79 THR CG2 . 26620 1 310 . 1 1 79 79 THR H H 1 7.961 0.02 . . . . . . 79 THR CG2 . 26620 1 311 . 1 1 79 79 THR HG21 H 1 1.031 0.02 . . . . . . 79 THR MG2 . 26620 1 312 . 1 1 79 79 THR HG22 H 1 1.031 0.02 . . . . . . 79 THR MG2 . 26620 1 313 . 1 1 79 79 THR HG23 H 1 1.031 0.02 . . . . . . 79 THR MG2 . 26620 1 314 . 1 1 79 79 THR N N 15 120.149 0.2 . . . . . . 79 THR N . 26620 1 315 . 1 1 80 80 SER H H 1 7.255 0.02 . . . . . . 80 SER N . 26620 1 316 . 1 1 80 80 SER N N 15 113.412 0.2 . . . . . . 80 SER N . 26620 1 317 . 1 1 81 81 GLY H H 1 8.801 0.02 . . . . . . 81 GLY N . 26620 1 318 . 1 1 81 81 GLY N N 15 108.266 0.2 . . . . . . 81 GLY N . 26620 1 319 . 1 1 82 82 PHE H H 1 8.665 0.02 . . . . . . 82 PHE N . 26620 1 320 . 1 1 82 82 PHE N N 15 122.351 0.2 . . . . . . 82 PHE N . 26620 1 321 . 1 1 83 83 ARG H H 1 8.266 0.02 . . . . . . 83 ARG N . 26620 1 322 . 1 1 83 83 ARG HE H 1 9.736 0.02 . . . . . . 83 ARG ME . 26620 1 323 . 1 1 83 83 ARG N N 15 120.035 0.2 . . . . . . 83 ARG N . 26620 1 324 . 1 1 83 83 ARG NE N 15 118.183 0.2 . . . . . . 83 ARG NE . 26620 1 325 . 1 1 84 84 ASN H H 1 8.823 0.02 . . . . . . 84 ASN NE . 26620 1 326 . 1 1 84 84 ASN N N 15 120.339 0.2 . . . . . . 84 ASN N . 26620 1 327 . 1 1 85 85 SER H H 1 8.331 0.02 . . . . . . 85 SER N . 26620 1 328 . 1 1 85 85 SER N N 15 113.064 0.2 . . . . . . 85 SER N . 26620 1 329 . 1 1 86 86 ASP H H 1 7.723 0.02 . . . . . . 86 ASP N . 26620 1 330 . 1 1 86 86 ASP N N 15 123.165 0.2 . . . . . . 86 ASP N . 26620 1 331 . 1 1 87 87 ARG H H 1 9.384 0.02 . . . . . . 87 ARG N . 26620 1 332 . 1 1 87 87 ARG HE H 1 7.047 0.02 . . . . . . 87 ARG ME . 26620 1 333 . 1 1 87 87 ARG N N 15 124.161 0.2 . . . . . . 87 ARG N . 26620 1 334 . 1 1 87 87 ARG NE N 15 121.010 0.2 . . . . . . 87 ARG NE . 26620 1 335 . 1 1 88 88 ILE CD1 C 13 12.707 0.3 . . . . . . 88 ILE CD1 . 26620 1 336 . 1 1 88 88 ILE CG2 C 13 14.859 0.3 . . . . . . 88 ILE CG2 . 26620 1 337 . 1 1 88 88 ILE H H 1 9.396 0.02 . . . . . . 88 ILE CG2 . 26620 1 338 . 1 1 88 88 ILE HD11 H 1 1.116 0.02 . . . . . . 88 ILE MD1 . 26620 1 339 . 1 1 88 88 ILE HD12 H 1 1.116 0.02 . . . . . . 88 ILE MD1 . 26620 1 340 . 1 1 88 88 ILE HD13 H 1 1.116 0.02 . . . . . . 88 ILE MD1 . 26620 1 341 . 1 1 88 88 ILE HG21 H 1 1.099 0.02 . . . . . . 88 ILE MG2 . 26620 1 342 . 1 1 88 88 ILE HG22 H 1 1.099 0.02 . . . . . . 88 ILE MG2 . 26620 1 343 . 1 1 88 88 ILE HG23 H 1 1.099 0.02 . . . . . . 88 ILE MG2 . 26620 1 344 . 1 1 88 88 ILE N N 15 123.595 0.2 . . . . . . 88 ILE N . 26620 1 345 . 1 1 89 89 LEU CD1 C 13 21.512 0.3 . . . . . . 89 LEU CD1 . 26620 1 346 . 1 1 89 89 LEU CD2 C 13 21.304 0.3 . . . . . . 89 LEU CD2 . 26620 1 347 . 1 1 89 89 LEU H H 1 9.423 0.02 . . . . . . 89 LEU CD2 . 26620 1 348 . 1 1 89 89 LEU HD11 H 1 0.298 0.02 . . . . . . 89 LEU MD1 . 26620 1 349 . 1 1 89 89 LEU HD12 H 1 0.298 0.02 . . . . . . 89 LEU MD1 . 26620 1 350 . 1 1 89 89 LEU HD13 H 1 0.298 0.02 . . . . . . 89 LEU MD1 . 26620 1 351 . 1 1 89 89 LEU HD21 H 1 0.609 0.02 . . . . . . 89 LEU MD2 . 26620 1 352 . 1 1 89 89 LEU HD22 H 1 0.609 0.02 . . . . . . 89 LEU MD2 . 26620 1 353 . 1 1 89 89 LEU HD23 H 1 0.609 0.02 . . . . . . 89 LEU MD2 . 26620 1 354 . 1 1 89 89 LEU N N 15 131.149 0.2 . . . . . . 89 LEU N . 26620 1 355 . 1 1 90 90 TYR H H 1 9.207 0.02 . . . . . . 90 TYR N . 26620 1 356 . 1 1 90 90 TYR N N 15 118.540 0.2 . . . . . . 90 TYR N . 26620 1 357 . 1 1 91 91 SER H H 1 8.763 0.02 . . . . . . 91 SER N . 26620 1 358 . 1 1 91 91 SER N N 15 121.178 0.2 . . . . . . 91 SER N . 26620 1 359 . 1 1 92 92 SER H H 1 8.121 0.02 . . . . . . 92 SER N . 26620 1 360 . 1 1 92 92 SER N N 15 113.761 0.2 . . . . . . 92 SER N . 26620 1 361 . 1 1 93 93 ASP H H 1 7.970 0.02 . . . . . . 93 ASP N . 26620 1 362 . 1 1 93 93 ASP N N 15 115.420 0.2 . . . . . . 93 ASP N . 26620 1 363 . 1 1 94 94 TRP H H 1 7.157 0.02 . . . . . . 94 TRP N . 26620 1 364 . 1 1 94 94 TRP HE1 H 1 9.595 0.02 . . . . . . 94 TRP ME . 26620 1 365 . 1 1 94 94 TRP N N 15 115.715 0.2 . . . . . . 94 TRP N . 26620 1 366 . 1 1 94 94 TRP NE1 N 15 128.011 0.2 . . . . . . 94 TRP NE . 26620 1 367 . 1 1 95 95 LEU CD1 C 13 22.503 0.3 . . . . . . 95 LEU CD1 . 26620 1 368 . 1 1 95 95 LEU CD2 C 13 21.249 0.3 . . . . . . 95 LEU CD2 . 26620 1 369 . 1 1 95 95 LEU H H 1 8.116 0.02 . . . . . . 95 LEU CD2 . 26620 1 370 . 1 1 95 95 LEU HD11 H 1 0.946 0.02 . . . . . . 95 LEU MD1 . 26620 1 371 . 1 1 95 95 LEU HD12 H 1 0.946 0.02 . . . . . . 95 LEU MD1 . 26620 1 372 . 1 1 95 95 LEU HD13 H 1 0.946 0.02 . . . . . . 95 LEU MD1 . 26620 1 373 . 1 1 95 95 LEU HD21 H 1 1.041 0.02 . . . . . . 95 LEU MD2 . 26620 1 374 . 1 1 95 95 LEU HD22 H 1 1.041 0.02 . . . . . . 95 LEU MD2 . 26620 1 375 . 1 1 95 95 LEU HD23 H 1 1.041 0.02 . . . . . . 95 LEU MD2 . 26620 1 376 . 1 1 95 95 LEU N N 15 119.832 0.2 . . . . . . 95 LEU N . 26620 1 377 . 1 1 96 96 ILE CD1 C 13 11.496 0.3 . . . . . . 96 ILE CD1 . 26620 1 378 . 1 1 96 96 ILE CG2 C 13 16.257 0.3 . . . . . . 96 ILE CG2 . 26620 1 379 . 1 1 96 96 ILE H H 1 8.740 0.02 . . . . . . 96 ILE CG2 . 26620 1 380 . 1 1 96 96 ILE HD11 H 1 1.056 0.02 . . . . . . 96 ILE MD1 . 26620 1 381 . 1 1 96 96 ILE HD12 H 1 1.056 0.02 . . . . . . 96 ILE MD1 . 26620 1 382 . 1 1 96 96 ILE HD13 H 1 1.056 0.02 . . . . . . 96 ILE MD1 . 26620 1 383 . 1 1 96 96 ILE HG21 H 1 1.150 0.02 . . . . . . 96 ILE MG2 . 26620 1 384 . 1 1 96 96 ILE HG22 H 1 1.150 0.02 . . . . . . 96 ILE MG2 . 26620 1 385 . 1 1 96 96 ILE HG23 H 1 1.150 0.02 . . . . . . 96 ILE MG2 . 26620 1 386 . 1 1 96 96 ILE N N 15 118.950 0.2 . . . . . . 96 ILE N . 26620 1 387 . 1 1 97 97 TYR H H 1 10.261 0.02 . . . . . . 97 TYR N . 26620 1 388 . 1 1 97 97 TYR N N 15 129.351 0.2 . . . . . . 97 TYR N . 26620 1 389 . 1 1 98 98 LYS H H 1 9.494 0.02 . . . . . . 98 LYS N . 26620 1 390 . 1 1 98 98 LYS N N 15 116.928 0.2 . . . . . . 98 LYS N . 26620 1 391 . 1 1 99 99 THR CG2 C 13 16.582 0.3 . . . . . . 99 THR CG2 . 26620 1 392 . 1 1 99 99 THR H H 1 8.749 0.02 . . . . . . 99 THR CG2 . 26620 1 393 . 1 1 99 99 THR HG21 H 1 0.840 0.02 . . . . . . 99 THR MG2 . 26620 1 394 . 1 1 99 99 THR HG22 H 1 0.840 0.02 . . . . . . 99 THR MG2 . 26620 1 395 . 1 1 99 99 THR HG23 H 1 0.840 0.02 . . . . . . 99 THR MG2 . 26620 1 396 . 1 1 99 99 THR N N 15 116.248 0.2 . . . . . . 99 THR N . 26620 1 397 . 1 1 100 100 THR CG2 C 13 19.224 0.3 . . . . . . 100 THR CG2 . 26620 1 398 . 1 1 100 100 THR H H 1 9.013 0.02 . . . . . . 100 THR CG2 . 26620 1 399 . 1 1 100 100 THR HG21 H 1 1.126 0.02 . . . . . . 100 THR MG2 . 26620 1 400 . 1 1 100 100 THR HG22 H 1 1.126 0.02 . . . . . . 100 THR MG2 . 26620 1 401 . 1 1 100 100 THR HG23 H 1 1.126 0.02 . . . . . . 100 THR MG2 . 26620 1 402 . 1 1 100 100 THR N N 15 117.344 0.2 . . . . . . 100 THR N . 26620 1 403 . 1 1 101 101 ASP H H 1 8.346 0.02 . . . . . . 101 ASP N . 26620 1 404 . 1 1 101 101 ASP N N 15 123.489 0.2 . . . . . . 101 ASP N . 26620 1 405 . 1 1 102 102 HIS H H 1 8.719 0.02 . . . . . . 102 HIS N . 26620 1 406 . 1 1 102 102 HIS N N 15 117.606 0.2 . . . . . . 102 HIS N . 26620 1 407 . 1 1 103 103 TYR H H 1 7.290 0.02 . . . . . . 103 TYR N . 26620 1 408 . 1 1 103 103 TYR N N 15 107.291 0.2 . . . . . . 103 TYR N . 26620 1 409 . 1 1 104 104 GLN H H 1 7.279 0.02 . . . . . . 104 GLN N . 26620 1 410 . 1 1 104 104 GLN N N 15 120.239 0.2 . . . . . . 104 GLN N . 26620 1 411 . 1 1 105 105 THR CG2 C 13 19.326 0.3 . . . . . . 105 THR CG2 . 26620 1 412 . 1 1 105 105 THR H H 1 9.763 0.02 . . . . . . 105 THR CG2 . 26620 1 413 . 1 1 105 105 THR HG21 H 1 1.157 0.02 . . . . . . 105 THR MG2 . 26620 1 414 . 1 1 105 105 THR HG22 H 1 1.157 0.02 . . . . . . 105 THR MG2 . 26620 1 415 . 1 1 105 105 THR HG23 H 1 1.157 0.02 . . . . . . 105 THR MG2 . 26620 1 416 . 1 1 105 105 THR N N 15 114.774 0.2 . . . . . . 105 THR N . 26620 1 417 . 1 1 106 106 PHE H H 1 8.596 0.02 . . . . . . 106 PHE N . 26620 1 418 . 1 1 106 106 PHE N N 15 117.970 0.2 . . . . . . 106 PHE N . 26620 1 419 . 1 1 107 107 THR CG2 C 13 19.531 0.3 . . . . . . 107 THR CG2 . 26620 1 420 . 1 1 107 107 THR H H 1 9.012 0.02 . . . . . . 107 THR CG2 . 26620 1 421 . 1 1 107 107 THR HG21 H 1 1.174 0.02 . . . . . . 107 THR MG2 . 26620 1 422 . 1 1 107 107 THR HG22 H 1 1.174 0.02 . . . . . . 107 THR MG2 . 26620 1 423 . 1 1 107 107 THR HG23 H 1 1.174 0.02 . . . . . . 107 THR MG2 . 26620 1 424 . 1 1 107 107 THR N N 15 116.334 0.2 . . . . . . 107 THR N . 26620 1 425 . 1 1 108 108 LYS H H 1 8.963 0.02 . . . . . . 108 LYS N . 26620 1 426 . 1 1 108 108 LYS N N 15 130.611 0.2 . . . . . . 108 LYS N . 26620 1 427 . 1 1 109 109 ILE CD1 C 13 11.288 0.3 . . . . . . 109 ILE CD1 . 26620 1 428 . 1 1 109 109 ILE CG2 C 13 15.144 0.3 . . . . . . 109 ILE CG2 . 26620 1 429 . 1 1 109 109 ILE H H 1 8.907 0.02 . . . . . . 109 ILE CG2 . 26620 1 430 . 1 1 109 109 ILE HD11 H 1 0.858 0.02 . . . . . . 109 ILE MD1 . 26620 1 431 . 1 1 109 109 ILE HD12 H 1 0.858 0.02 . . . . . . 109 ILE MD1 . 26620 1 432 . 1 1 109 109 ILE HD13 H 1 0.858 0.02 . . . . . . 109 ILE MD1 . 26620 1 433 . 1 1 109 109 ILE HG21 H 1 0.804 0.02 . . . . . . 109 ILE MG2 . 26620 1 434 . 1 1 109 109 ILE HG22 H 1 0.804 0.02 . . . . . . 109 ILE MG2 . 26620 1 435 . 1 1 109 109 ILE HG23 H 1 0.804 0.02 . . . . . . 109 ILE MG2 . 26620 1 436 . 1 1 109 109 ILE N N 15 122.462 0.2 . . . . . . 109 ILE N . 26620 1 437 . 1 1 110 110 ARG H H 1 8.165 0.02 . . . . . . 110 ARG N . 26620 1 438 . 1 1 110 110 ARG N N 15 127.435 0.2 . . . . . . 110 ARG N . 26620 1 stop_ save_