################################### # 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 19406 _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 2 '2D 1H-15N HSQC' . . . 19406 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 GLN H H 1 8.871 . . . . . . . A 2 GLN H . 19406 1 2 . 1 . 1 2 2 GLN N N 15 122.891 . . . . . . . A 2 GLN N . 19406 1 3 . 1 . 1 3 3 ILE H H 1 8.289 . . . . . . . A 3 ILE H . 19406 1 4 . 1 . 1 3 3 ILE N N 15 115.103 . . . . . . . A 3 ILE N . 19406 1 5 . 1 . 1 4 4 PHE H H 1 8.588 . . . . . . . A 4 PHE H . 19406 1 6 . 1 . 1 4 4 PHE N N 15 118.739 . . . . . . . A 4 PHE N . 19406 1 7 . 1 . 1 5 5 VAL H H 1 9.273 . . . . . . . A 5 VAL H . 19406 1 8 . 1 . 1 5 5 VAL N N 15 121.437 . . . . . . . A 5 VAL N . 19406 1 9 . 1 . 1 6 6 LYS H H 1 9.019 . . . . . . . A 6 LYS H . 19406 1 10 . 1 . 1 6 6 LYS N N 15 128.204 . . . . . . . A 6 LYS N . 19406 1 11 . 1 . 1 7 7 THR H H 1 8.651 . . . . . . . A 7 THR H . 19406 1 12 . 1 . 1 7 7 THR N N 15 115.626 . . . . . . . A 7 THR N . 19406 1 13 . 1 . 1 8 8 LEU H H 1 9.116 . . . . . . . A 8 LEU H . 19406 1 14 . 1 . 1 8 8 LEU N N 15 121.501 . . . . . . . A 8 LEU N . 19406 1 15 . 1 . 1 9 9 THR H H 1 7.639 . . . . . . . A 9 THR H . 19406 1 16 . 1 . 1 9 9 THR N N 15 105.890 . . . . . . . A 9 THR N . 19406 1 17 . 1 . 1 10 10 GLY H H 1 7.858 . . . . . . . A 10 GLY H . 19406 1 18 . 1 . 1 10 10 GLY N N 15 109.511 . . . . . . . A 10 GLY N . 19406 1 19 . 1 . 1 11 11 LYS H H 1 7.243 . . . . . . . A 11 LYS H . 19406 1 20 . 1 . 1 11 11 LYS N N 15 121.448 . . . . . . . A 11 LYS N . 19406 1 21 . 1 . 1 12 12 THR H H 1 8.674 . . . . . . . A 12 THR H . 19406 1 22 . 1 . 1 12 12 THR N N 15 120.346 . . . . . . . A 12 THR N . 19406 1 23 . 1 . 1 13 13 ILE H H 1 9.496 . . . . . . . A 13 ILE H . 19406 1 24 . 1 . 1 13 13 ILE N N 15 127.439 . . . . . . . A 13 ILE N . 19406 1 25 . 1 . 1 14 14 THR H H 1 8.713 . . . . . . . A 14 THR H . 19406 1 26 . 1 . 1 14 14 THR N N 15 121.401 . . . . . . . A 14 THR N . 19406 1 27 . 1 . 1 15 15 LEU H H 1 8.702 . . . . . . . A 15 LEU H . 19406 1 28 . 1 . 1 15 15 LEU N N 15 125.182 . . . . . . . A 15 LEU N . 19406 1 29 . 1 . 1 16 16 GLU H H 1 8.111 . . . . . . . A 16 GLU H . 19406 1 30 . 1 . 1 16 16 GLU N N 15 122.667 . . . . . . . A 16 GLU N . 19406 1 31 . 1 . 1 17 17 VAL H H 1 8.921 . . . . . . . A 17 VAL H . 19406 1 32 . 1 . 1 17 17 VAL N N 15 117.681 . . . . . . . A 17 VAL N . 19406 1 33 . 1 . 1 18 18 GLU H H 1 8.630 . . . . . . . A 18 GLU H . 19406 1 34 . 1 . 1 18 18 GLU N N 15 119.392 . . . . . . . A 18 GLU N . 19406 1 35 . 1 . 1 20 20 SER H H 1 7.012 . . . . . . . A 20 SER H . 19406 1 36 . 1 . 1 20 20 SER N N 15 103.536 . . . . . . . A 20 SER N . 19406 1 37 . 1 . 1 21 21 ASP H H 1 8.032 . . . . . . . A 21 ASP H . 19406 1 38 . 1 . 1 21 21 ASP N N 15 124.088 . . . . . . . A 21 ASP N . 19406 1 39 . 1 . 1 22 22 THR H H 1 7.882 . . . . . . . A 22 THR H . 19406 1 40 . 1 . 1 22 22 THR N N 15 109.196 . . . . . . . A 22 THR N . 19406 1 41 . 1 . 1 23 23 ILE H H 1 8.502 . . . . . . . A 23 ILE H . 19406 1 42 . 1 . 1 23 23 ILE N N 15 121.357 . . . . . . . A 23 ILE N . 19406 1 43 . 1 . 1 25 25 ASN H H 1 7.915 . . . . . . . A 25 ASN H . 19406 1 44 . 1 . 1 25 25 ASN N N 15 121.633 . . . . . . . A 25 ASN N . 19406 1 45 . 1 . 1 26 26 VAL H H 1 8.104 . . . . . . . A 26 VAL H . 19406 1 46 . 1 . 1 26 26 VAL N N 15 122.347 . . . . . . . A 26 VAL N . 19406 1 47 . 1 . 1 27 27 LYS H H 1 8.558 . . . . . . . A 27 LYS H . 19406 1 48 . 1 . 1 27 27 LYS N N 15 119.125 . . . . . . . A 27 LYS N . 19406 1 49 . 1 . 1 28 28 ALA H H 1 7.964 . . . . . . . A 28 ALA H . 19406 1 50 . 1 . 1 28 28 ALA N N 15 123.696 . . . . . . . A 28 ALA N . 19406 1 51 . 1 . 1 29 29 LYS H H 1 7.842 . . . . . . . A 29 LYS H . 19406 1 52 . 1 . 1 29 29 LYS N N 15 120.455 . . . . . . . A 29 LYS N . 19406 1 53 . 1 . 1 30 30 ILE H H 1 8.282 . . . . . . . A 30 ILE H . 19406 1 54 . 1 . 1 30 30 ILE N N 15 121.462 . . . . . . . A 30 ILE N . 19406 1 55 . 1 . 1 31 31 GLN H H 1 8.567 . . . . . . . A 31 GLN H . 19406 1 56 . 1 . 1 31 31 GLN N N 15 123.771 . . . . . . . A 31 GLN N . 19406 1 57 . 1 . 1 32 32 ASP H H 1 7.992 . . . . . . . A 32 ASP H . 19406 1 58 . 1 . 1 32 32 ASP N N 15 119.854 . . . . . . . A 32 ASP N . 19406 1 59 . 1 . 1 33 33 LYS H H 1 7.392 . . . . . . . A 33 LYS H . 19406 1 60 . 1 . 1 33 33 LYS N N 15 115.518 . . . . . . . A 33 LYS N . 19406 1 61 . 1 . 1 34 34 GLU H H 1 8.749 . . . . . . . A 34 GLU H . 19406 1 62 . 1 . 1 34 34 GLU N N 15 114.369 . . . . . . . A 34 GLU N . 19406 1 63 . 1 . 1 35 35 GLY H H 1 8.510 . . . . . . . A 35 GLY H . 19406 1 64 . 1 . 1 35 35 GLY N N 15 108.982 . . . . . . . A 35 GLY N . 19406 1 65 . 1 . 1 36 36 ILE H H 1 6.143 . . . . . . . A 36 ILE H . 19406 1 66 . 1 . 1 36 36 ILE N N 15 120.148 . . . . . . . A 36 ILE N . 19406 1 67 . 1 . 1 39 39 ASP H H 1 8.524 . . . . . . . A 39 ASP H . 19406 1 68 . 1 . 1 39 39 ASP N N 15 113.773 . . . . . . . A 39 ASP N . 19406 1 69 . 1 . 1 40 40 GLN H H 1 7.822 . . . . . . . A 40 GLN H . 19406 1 70 . 1 . 1 40 40 GLN N N 15 117.059 . . . . . . . A 40 GLN N . 19406 1 71 . 1 . 1 41 41 GLN H H 1 7.476 . . . . . . . A 41 GLN H . 19406 1 72 . 1 . 1 41 41 GLN N N 15 118.178 . . . . . . . A 41 GLN N . 19406 1 73 . 1 . 1 42 42 ARG H H 1 8.490 . . . . . . . A 42 ARG H . 19406 1 74 . 1 . 1 42 42 ARG N N 15 123.067 . . . . . . . A 42 ARG N . 19406 1 75 . 1 . 1 43 43 LEU H H 1 8.806 . . . . . . . A 43 LEU H . 19406 1 76 . 1 . 1 43 43 LEU N N 15 124.430 . . . . . . . A 43 LEU N . 19406 1 77 . 1 . 1 44 44 ILE H H 1 9.107 . . . . . . . A 44 ILE H . 19406 1 78 . 1 . 1 44 44 ILE N N 15 122.600 . . . . . . . A 44 ILE N . 19406 1 79 . 1 . 1 45 45 PHE H H 1 8.846 . . . . . . . A 45 PHE H . 19406 1 80 . 1 . 1 45 45 PHE N N 15 125.181 . . . . . . . A 45 PHE N . 19406 1 81 . 1 . 1 46 46 ALA H H 1 9.006 . . . . . . . A 46 ALA H . 19406 1 82 . 1 . 1 46 46 ALA N N 15 133.188 . . . . . . . A 46 ALA N . 19406 1 83 . 1 . 1 47 47 GLY H H 1 8.108 . . . . . . . A 47 GLY H . 19406 1 84 . 1 . 1 47 47 GLY N N 15 102.588 . . . . . . . A 47 GLY N . 19406 1 85 . 1 . 1 48 48 LYS H H 1 7.951 . . . . . . . A 48 LYS H . 19406 1 86 . 1 . 1 48 48 LYS N N 15 122.079 . . . . . . . A 48 LYS N . 19406 1 87 . 1 . 1 49 49 GLN H H 1 8.657 . . . . . . . A 49 GLN H . 19406 1 88 . 1 . 1 49 49 GLN N N 15 123.318 . . . . . . . A 49 GLN N . 19406 1 89 . 1 . 1 50 50 LEU H H 1 8.550 . . . . . . . A 50 LEU H . 19406 1 90 . 1 . 1 50 50 LEU N N 15 125.842 . . . . . . . A 50 LEU N . 19406 1 91 . 1 . 1 51 51 GLU H H 1 8.380 . . . . . . . A 51 GLU H . 19406 1 92 . 1 . 1 51 51 GLU N N 15 123.246 . . . . . . . A 51 GLU N . 19406 1 93 . 1 . 1 52 52 ASP H H 1 8.156 . . . . . . . A 52 ASP H . 19406 1 94 . 1 . 1 52 52 ASP N N 15 120.540 . . . . . . . A 52 ASP N . 19406 1 95 . 1 . 1 54 54 ARG H H 1 7.434 . . . . . . . A 54 ARG H . 19406 1 96 . 1 . 1 54 54 ARG N N 15 119.473 . . . . . . . A 54 ARG N . 19406 1 97 . 1 . 1 55 55 THR H H 1 8.820 . . . . . . . A 55 THR H . 19406 1 98 . 1 . 1 55 55 THR N N 15 108.991 . . . . . . . A 55 THR N . 19406 1 99 . 1 . 1 56 56 LEU H H 1 8.142 . . . . . . . A 56 LEU H . 19406 1 100 . 1 . 1 56 56 LEU N N 15 118.142 . . . . . . . A 56 LEU N . 19406 1 101 . 1 . 1 57 57 SER H H 1 8.457 . . . . . . . A 57 SER H . 19406 1 102 . 1 . 1 57 57 SER N N 15 113.648 . . . . . . . A 57 SER N . 19406 1 103 . 1 . 1 58 58 ASP H H 1 7.916 . . . . . . . A 58 ASP H . 19406 1 104 . 1 . 1 58 58 ASP N N 15 124.663 . . . . . . . A 58 ASP N . 19406 1 105 . 1 . 1 59 59 TYR H H 1 7.244 . . . . . . . A 59 TYR H . 19406 1 106 . 1 . 1 59 59 TYR N N 15 115.916 . . . . . . . A 59 TYR N . 19406 1 107 . 1 . 1 60 60 ASN H H 1 8.133 . . . . . . . A 60 ASN H . 19406 1 108 . 1 . 1 60 60 ASN N N 15 116.069 . . . . . . . A 60 ASN N . 19406 1 109 . 1 . 1 61 61 ILE H H 1 7.235 . . . . . . . A 61 ILE H . 19406 1 110 . 1 . 1 61 61 ILE N N 15 119.135 . . . . . . . A 61 ILE N . 19406 1 111 . 1 . 1 62 62 GLN H H 1 7.635 . . . . . . . A 62 GLN H . 19406 1 112 . 1 . 1 62 62 GLN N N 15 125.060 . . . . . . . A 62 GLN N . 19406 1 113 . 1 . 1 63 63 LYS H H 1 8.472 . . . . . . . A 63 LYS H . 19406 1 114 . 1 . 1 63 63 LYS N N 15 120.635 . . . . . . . A 63 LYS N . 19406 1 115 . 1 . 1 64 64 GLU H H 1 9.297 . . . . . . . A 64 GLU H . 19406 1 116 . 1 . 1 64 64 GLU N N 15 115.322 . . . . . . . A 64 GLU N . 19406 1 117 . 1 . 1 65 65 SER H H 1 7.719 . . . . . . . A 65 SER H . 19406 1 118 . 1 . 1 65 65 SER N N 15 115.170 . . . . . . . A 65 SER N . 19406 1 119 . 1 . 1 66 66 THR H H 1 8.693 . . . . . . . A 66 THR H . 19406 1 120 . 1 . 1 66 66 THR N N 15 117.501 . . . . . . . A 66 THR N . 19406 1 121 . 1 . 1 67 67 LEU H H 1 9.386 . . . . . . . A 67 LEU H . 19406 1 122 . 1 . 1 67 67 LEU N N 15 127.946 . . . . . . . A 67 LEU N . 19406 1 123 . 1 . 1 68 68 HIS H H 1 9.233 . . . . . . . A 68 HIS H . 19406 1 124 . 1 . 1 68 68 HIS N N 15 119.768 . . . . . . . A 68 HIS N . 19406 1 125 . 1 . 1 69 69 LEU H H 1 8.252 . . . . . . . A 69 LEU H . 19406 1 126 . 1 . 1 69 69 LEU N N 15 123.923 . . . . . . . A 69 LEU N . 19406 1 127 . 1 . 1 70 70 VAL H H 1 9.172 . . . . . . . A 70 VAL H . 19406 1 128 . 1 . 1 70 70 VAL N N 15 127.149 . . . . . . . A 70 VAL N . 19406 1 129 . 1 . 1 71 71 LEU H H 1 8.133 . . . . . . . A 71 LEU H . 19406 1 130 . 1 . 1 71 71 LEU N N 15 123.402 . . . . . . . A 71 LEU N . 19406 1 131 . 1 . 1 72 72 ARG H H 1 8.564 . . . . . . . A 72 ARG H . 19406 1 132 . 1 . 1 72 72 ARG N N 15 123.435 . . . . . . . A 72 ARG N . 19406 1 133 . 1 . 1 73 73 LEU H H 1 8.357 . . . . . . . A 73 LEU H . 19406 1 134 . 1 . 1 73 73 LEU N N 15 124.023 . . . . . . . A 73 LEU N . 19406 1 135 . 1 . 1 74 74 ARG H H 1 8.518 . . . . . . . A 74 ARG H . 19406 1 136 . 1 . 1 74 74 ARG N N 15 121.993 . . . . . . . A 74 ARG N . 19406 1 137 . 1 . 1 75 75 GLY H H 1 8.546 . . . . . . . A 75 GLY H . 19406 1 138 . 1 . 1 75 75 GLY N N 15 110.520 . . . . . . . A 75 GLY N . 19406 1 139 . 1 . 1 76 76 GLY H H 1 8.380 . . . . . . . A 76 GLY H . 19406 1 140 . 1 . 1 76 76 GLY N N 15 108.997 . . . . . . . A 76 GLY N . 19406 1 stop_ save_ ################################### # 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_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 19406 _Assigned_chem_shift_list.ID 2 _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 2 '2D 1H-15N HSQC' . . . 19406 2 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 . 2 . 1 2 2 GLN H H 1 8.891 . . . . . . . B 2 GLN H . 19406 2 2 . 2 . 1 2 2 GLN N N 15 123.127 . . . . . . . B 2 GLN N . 19406 2 3 . 2 . 1 3 3 ILE H H 1 8.285 . . . . . . . B 3 ILE H . 19406 2 4 . 2 . 1 3 3 ILE N N 15 115.197 . . . . . . . B 3 ILE N . 19406 2 5 . 2 . 1 4 4 PHE H H 1 8.570 . . . . . . . B 4 PHE H . 19406 2 6 . 2 . 1 4 4 PHE N N 15 118.586 . . . . . . . B 4 PHE N . 19406 2 7 . 2 . 1 5 5 VAL H H 1 9.273 . . . . . . . B 5 VAL H . 19406 2 8 . 2 . 1 5 5 VAL N N 15 121.668 . . . . . . . B 5 VAL N . 19406 2 9 . 2 . 1 6 6 LYS H H 1 8.957 . . . . . . . B 6 LYS H . 19406 2 10 . 2 . 1 6 6 LYS N N 15 127.765 . . . . . . . B 6 LYS N . 19406 2 11 . 2 . 1 7 7 THR H H 1 8.670 . . . . . . . B 7 THR H . 19406 2 12 . 2 . 1 7 7 THR N N 15 114.686 . . . . . . . B 7 THR N . 19406 2 13 . 2 . 1 8 8 LEU H H 1 9.167 . . . . . . . B 8 LEU H . 19406 2 14 . 2 . 1 8 8 LEU N N 15 121.436 . . . . . . . B 8 LEU N . 19406 2 15 . 2 . 1 9 9 THR H H 1 7.599 . . . . . . . B 9 THR H . 19406 2 16 . 2 . 1 9 9 THR N N 15 105.794 . . . . . . . B 9 THR N . 19406 2 17 . 2 . 1 10 10 GLY H H 1 7.757 . . . . . . . B 10 GLY H . 19406 2 18 . 2 . 1 10 10 GLY N N 15 109.049 . . . . . . . B 10 GLY N . 19406 2 19 . 2 . 1 11 11 LYS H H 1 7.260 . . . . . . . B 11 LYS H . 19406 2 20 . 2 . 1 11 11 LYS N N 15 122.265 . . . . . . . B 11 LYS N . 19406 2 21 . 2 . 1 12 12 THR H H 1 8.547 . . . . . . . B 12 THR H . 19406 2 22 . 2 . 1 12 12 THR N N 15 119.932 . . . . . . . B 12 THR N . 19406 2 23 . 2 . 1 13 13 ILE H H 1 9.543 . . . . . . . B 13 ILE H . 19406 2 24 . 2 . 1 13 13 ILE N N 15 127.779 . . . . . . . B 13 ILE N . 19406 2 25 . 2 . 1 14 14 THR H H 1 8.739 . . . . . . . B 14 THR H . 19406 2 26 . 2 . 1 14 14 THR N N 15 121.893 . . . . . . . B 14 THR N . 19406 2 27 . 2 . 1 15 15 LEU H H 1 8.662 . . . . . . . B 15 LEU H . 19406 2 28 . 2 . 1 15 15 LEU N N 15 125.148 . . . . . . . B 15 LEU N . 19406 2 29 . 2 . 1 16 16 GLU H H 1 8.102 . . . . . . . B 16 GLU H . 19406 2 30 . 2 . 1 16 16 GLU N N 15 122.662 . . . . . . . B 16 GLU N . 19406 2 31 . 2 . 1 17 17 VAL H H 1 8.930 . . . . . . . B 17 VAL H . 19406 2 32 . 2 . 1 17 17 VAL N N 15 117.747 . . . . . . . B 17 VAL N . 19406 2 33 . 2 . 1 18 18 GLU H H 1 8.622 . . . . . . . B 18 GLU H . 19406 2 34 . 2 . 1 18 18 GLU N N 15 119.378 . . . . . . . B 18 GLU N . 19406 2 35 . 2 . 1 20 20 SER H H 1 7.007 . . . . . . . B 20 SER H . 19406 2 36 . 2 . 1 20 20 SER N N 15 103.499 . . . . . . . B 20 SER N . 19406 2 37 . 2 . 1 21 21 ASP H H 1 8.035 . . . . . . . B 21 ASP H . 19406 2 38 . 2 . 1 21 21 ASP N N 15 124.124 . . . . . . . B 21 ASP N . 19406 2 39 . 2 . 1 22 22 THR H H 1 7.883 . . . . . . . B 22 THR H . 19406 2 40 . 2 . 1 22 22 THR N N 15 109.205 . . . . . . . B 22 THR N . 19406 2 41 . 2 . 1 23 23 ILE H H 1 8.498 . . . . . . . B 23 ILE H . 19406 2 42 . 2 . 1 23 23 ILE N N 15 121.454 . . . . . . . B 23 ILE N . 19406 2 43 . 2 . 1 25 25 ASN H H 1 7.912 . . . . . . . B 25 ASN H . 19406 2 44 . 2 . 1 25 25 ASN N N 15 121.521 . . . . . . . B 25 ASN N . 19406 2 45 . 2 . 1 26 26 VAL H H 1 8.116 . . . . . . . B 26 VAL H . 19406 2 46 . 2 . 1 26 26 VAL N N 15 122.398 . . . . . . . B 26 VAL N . 19406 2 47 . 2 . 1 27 27 LYS H H 1 8.504 . . . . . . . B 27 LYS H . 19406 2 48 . 2 . 1 27 27 LYS N N 15 119.074 . . . . . . . B 27 LYS N . 19406 2 49 . 2 . 1 28 28 ALA H H 1 7.959 . . . . . . . B 28 ALA H . 19406 2 50 . 2 . 1 28 28 ALA N N 15 123.463 . . . . . . . B 28 ALA N . 19406 2 51 . 2 . 1 29 29 LYS H H 1 7.924 . . . . . . . B 29 LYS H . 19406 2 52 . 2 . 1 29 29 LYS N N 15 120.676 . . . . . . . B 29 LYS N . 19406 2 53 . 2 . 1 30 30 ILE H H 1 8.256 . . . . . . . B 30 ILE H . 19406 2 54 . 2 . 1 30 30 ILE N N 15 121.667 . . . . . . . B 30 ILE N . 19406 2 55 . 2 . 1 31 31 GLN H H 1 8.467 . . . . . . . B 31 GLN H . 19406 2 56 . 2 . 1 31 31 GLN N N 15 123.586 . . . . . . . B 31 GLN N . 19406 2 57 . 2 . 1 32 32 ASP H H 1 8.116 . . . . . . . B 32 ASP H . 19406 2 58 . 2 . 1 32 32 ASP N N 15 120.145 . . . . . . . B 32 ASP N . 19406 2 59 . 2 . 1 33 33 LYS H H 1 7.522 . . . . . . . B 33 LYS H . 19406 2 60 . 2 . 1 33 33 LYS N N 15 115.659 . . . . . . . B 33 LYS N . 19406 2 61 . 2 . 1 34 34 GLU H H 1 8.605 . . . . . . . B 34 GLU H . 19406 2 62 . 2 . 1 34 34 GLU N N 15 113.560 . . . . . . . B 34 GLU N . 19406 2 63 . 2 . 1 35 35 GLY H H 1 8.501 . . . . . . . B 35 GLY H . 19406 2 64 . 2 . 1 35 35 GLY N N 15 109.248 . . . . . . . B 35 GLY N . 19406 2 65 . 2 . 1 36 36 ILE H H 1 6.128 . . . . . . . B 36 ILE H . 19406 2 66 . 2 . 1 36 36 ILE N N 15 120.288 . . . . . . . B 36 ILE N . 19406 2 67 . 2 . 1 39 39 ASP H H 1 8.523 . . . . . . . B 39 ASP H . 19406 2 68 . 2 . 1 39 39 ASP N N 15 113.836 . . . . . . . B 39 ASP N . 19406 2 69 . 2 . 1 40 40 GLN H H 1 7.763 . . . . . . . B 40 GLN H . 19406 2 70 . 2 . 1 40 40 GLN N N 15 117.038 . . . . . . . B 40 GLN N . 19406 2 71 . 2 . 1 41 41 GLN H H 1 7.463 . . . . . . . B 41 GLN H . 19406 2 72 . 2 . 1 41 41 GLN N N 15 117.981 . . . . . . . B 41 GLN N . 19406 2 73 . 2 . 1 42 42 ARG H H 1 8.457 . . . . . . . B 42 ARG H . 19406 2 74 . 2 . 1 42 42 ARG N N 15 123.211 . . . . . . . B 42 ARG N . 19406 2 75 . 2 . 1 43 43 LEU H H 1 8.783 . . . . . . . B 43 LEU H . 19406 2 76 . 2 . 1 43 43 LEU N N 15 124.658 . . . . . . . B 43 LEU N . 19406 2 77 . 2 . 1 44 44 ILE H H 1 9.146 . . . . . . . B 44 ILE H . 19406 2 78 . 2 . 1 44 44 ILE N N 15 122.655 . . . . . . . B 44 ILE N . 19406 2 79 . 2 . 1 45 45 PHE H H 1 8.810 . . . . . . . B 45 PHE H . 19406 2 80 . 2 . 1 45 45 PHE N N 15 125.000 . . . . . . . B 45 PHE N . 19406 2 81 . 2 . 1 46 46 ALA H H 1 8.981 . . . . . . . B 46 ALA H . 19406 2 82 . 2 . 1 46 46 ALA N N 15 133.171 . . . . . . . B 46 ALA N . 19406 2 83 . 2 . 1 47 47 GLY H H 1 8.112 . . . . . . . B 47 GLY H . 19406 2 84 . 2 . 1 47 47 GLY N N 15 102.612 . . . . . . . B 47 GLY N . 19406 2 85 . 2 . 1 48 48 LYS H H 1 7.935 . . . . . . . B 48 LYS H . 19406 2 86 . 2 . 1 48 48 LYS N N 15 122.171 . . . . . . . B 48 LYS N . 19406 2 87 . 2 . 1 49 49 GLN H H 1 8.650 . . . . . . . B 49 GLN H . 19406 2 88 . 2 . 1 49 49 GLN N N 15 123.368 . . . . . . . B 49 GLN N . 19406 2 89 . 2 . 1 50 50 LEU H H 1 8.558 . . . . . . . B 50 LEU H . 19406 2 90 . 2 . 1 50 50 LEU N N 15 125.850 . . . . . . . B 50 LEU N . 19406 2 91 . 2 . 1 51 51 GLU H H 1 8.385 . . . . . . . B 51 GLU H . 19406 2 92 . 2 . 1 51 51 GLU N N 15 123.293 . . . . . . . B 51 GLU N . 19406 2 93 . 2 . 1 52 52 ASP H H 1 8.168 . . . . . . . B 52 ASP H . 19406 2 94 . 2 . 1 52 52 ASP N N 15 120.597 . . . . . . . B 52 ASP N . 19406 2 95 . 2 . 1 54 54 ARG H H 1 7.445 . . . . . . . B 54 ARG H . 19406 2 96 . 2 . 1 54 54 ARG N N 15 119.536 . . . . . . . B 54 ARG N . 19406 2 97 . 2 . 1 55 55 THR H H 1 8.801 . . . . . . . B 55 THR H . 19406 2 98 . 2 . 1 55 55 THR N N 15 108.885 . . . . . . . B 55 THR N . 19406 2 99 . 2 . 1 56 56 LEU H H 1 8.133 . . . . . . . B 56 LEU H . 19406 2 100 . 2 . 1 56 56 LEU N N 15 118.147 . . . . . . . B 56 LEU N . 19406 2 101 . 2 . 1 57 57 SER H H 1 8.473 . . . . . . . B 57 SER H . 19406 2 102 . 2 . 1 57 57 SER N N 15 113.649 . . . . . . . B 57 SER N . 19406 2 103 . 2 . 1 58 58 ASP H H 1 7.918 . . . . . . . B 58 ASP H . 19406 2 104 . 2 . 1 58 58 ASP N N 15 124.680 . . . . . . . B 58 ASP N . 19406 2 105 . 2 . 1 59 59 TYR H H 1 7.239 . . . . . . . B 59 TYR H . 19406 2 106 . 2 . 1 59 59 TYR N N 15 115.918 . . . . . . . B 59 TYR N . 19406 2 107 . 2 . 1 60 60 ASN H H 1 8.131 . . . . . . . B 60 ASN H . 19406 2 108 . 2 . 1 60 60 ASN N N 15 116.053 . . . . . . . B 60 ASN N . 19406 2 109 . 2 . 1 61 61 ILE H H 1 7.231 . . . . . . . B 61 ILE H . 19406 2 110 . 2 . 1 61 61 ILE N N 15 119.155 . . . . . . . B 61 ILE N . 19406 2 111 . 2 . 1 62 62 GLN H H 1 7.631 . . . . . . . B 62 GLN H . 19406 2 112 . 2 . 1 62 62 GLN N N 15 125.025 . . . . . . . B 62 GLN N . 19406 2 113 . 2 . 1 63 63 LYS H H 1 8.472 . . . . . . . B 63 LYS H . 19406 2 114 . 2 . 1 63 63 LYS N N 15 120.627 . . . . . . . B 63 LYS N . 19406 2 115 . 2 . 1 64 64 GLU H H 1 9.295 . . . . . . . B 64 GLU H . 19406 2 116 . 2 . 1 64 64 GLU N N 15 115.394 . . . . . . . B 64 GLU N . 19406 2 117 . 2 . 1 65 65 SER H H 1 7.727 . . . . . . . B 65 SER H . 19406 2 118 . 2 . 1 65 65 SER N N 15 115.181 . . . . . . . B 65 SER N . 19406 2 119 . 2 . 1 66 66 THR H H 1 8.683 . . . . . . . B 66 THR H . 19406 2 120 . 2 . 1 66 66 THR N N 15 117.453 . . . . . . . B 66 THR N . 19406 2 121 . 2 . 1 67 67 LEU H H 1 9.399 . . . . . . . B 67 LEU H . 19406 2 122 . 2 . 1 67 67 LEU N N 15 128.042 . . . . . . . B 67 LEU N . 19406 2 123 . 2 . 1 68 68 HIS H H 1 9.202 . . . . . . . B 68 HIS H . 19406 2 124 . 2 . 1 68 68 HIS N N 15 119.825 . . . . . . . B 68 HIS N . 19406 2 125 . 2 . 1 69 69 LEU H H 1 8.317 . . . . . . . B 69 LEU H . 19406 2 126 . 2 . 1 69 69 LEU N N 15 123.987 . . . . . . . B 69 LEU N . 19406 2 127 . 2 . 1 70 70 VAL H H 1 9.183 . . . . . . . B 70 VAL H . 19406 2 128 . 2 . 1 70 70 VAL N N 15 127.558 . . . . . . . B 70 VAL N . 19406 2 129 . 2 . 1 71 71 LEU H H 1 8.155 . . . . . . . B 71 LEU H . 19406 2 130 . 2 . 1 71 71 LEU N N 15 124.055 . . . . . . . B 71 LEU N . 19406 2 131 . 2 . 1 72 72 ARG H H 1 8.607 . . . . . . . B 72 ARG H . 19406 2 132 . 2 . 1 72 72 ARG N N 15 124.219 . . . . . . . B 72 ARG N . 19406 2 133 . 2 . 1 73 73 LEU H H 1 8.389 . . . . . . . B 73 LEU H . 19406 2 134 . 2 . 1 73 73 LEU N N 15 124.450 . . . . . . . B 73 LEU N . 19406 2 135 . 2 . 1 74 74 ARG H H 1 8.442 . . . . . . . B 74 ARG H . 19406 2 136 . 2 . 1 74 74 ARG N N 15 121.767 . . . . . . . B 74 ARG N . 19406 2 137 . 2 . 1 75 75 GLY H H 1 8.555 . . . . . . . B 75 GLY H . 19406 2 138 . 2 . 1 75 75 GLY N N 15 110.768 . . . . . . . B 75 GLY N . 19406 2 139 . 2 . 1 76 76 GLY H H 1 8.192 . . . . . . . B 76 GLY H . 19406 2 140 . 2 . 1 76 76 GLY N N 15 109.395 . . . . . . . B 76 GLY N . 19406 2 stop_ save_