################################### # 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 26682 _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 . _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' . . . 26682 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CARA . . 26682 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 3 3 GLN H H 1 8.115 0.02 . 1 . . . . 3 GLN H . 26682 1 2 . 1 1 3 3 GLN N N 15 118.296 0.3 . 1 . . . . 3 GLN N . 26682 1 3 . 1 1 4 4 LEU H H 1 8.231 0.02 . 1 . . . . 4 LEU H . 26682 1 4 . 1 1 4 4 LEU N N 15 121.564 0.3 . 1 . . . . 4 LEU N . 26682 1 5 . 1 1 5 5 THR H H 1 8.672 0.02 . 1 . . . . 5 THR H . 26682 1 6 . 1 1 5 5 THR N N 15 112.706 0.3 . 1 . . . . 5 THR N . 26682 1 7 . 1 1 6 6 GLU H H 1 8.944 0.02 . 1 . . . . 6 GLU H . 26682 1 8 . 1 1 6 6 GLU N N 15 119.983 0.3 . 1 . . . . 6 GLU N . 26682 1 9 . 1 1 7 7 GLU H H 1 8.642 0.02 . 1 . . . . 7 GLU H . 26682 1 10 . 1 1 7 7 GLU N N 15 119.1 0.3 . 1 . . . . 7 GLU N . 26682 1 11 . 1 1 8 8 GLN H H 1 7.657 0.02 . 1 . . . . 8 GLN H . 26682 1 12 . 1 1 8 8 GLN N N 15 120.294 0.3 . 1 . . . . 8 GLN N . 26682 1 13 . 1 1 9 9 ILE H H 1 8.183 0.02 . 1 . . . . 9 ILE H . 26682 1 14 . 1 1 9 9 ILE N N 15 118.438 0.3 . 1 . . . . 9 ILE N . 26682 1 15 . 1 1 10 10 ALA H H 1 7.85 0.02 . 1 . . . . 10 ALA H . 26682 1 16 . 1 1 10 10 ALA N N 15 120.211 0.3 . 1 . . . . 10 ALA N . 26682 1 17 . 1 1 11 11 GLU H H 1 7.714 0.02 . 1 . . . . 11 GLU H . 26682 1 18 . 1 1 11 11 GLU N N 15 119.943 0.3 . 1 . . . . 11 GLU N . 26682 1 19 . 1 1 12 12 PHE H H 1 8.748 0.02 . 1 . . . . 12 PHE H . 26682 1 20 . 1 1 12 12 PHE N N 15 119.942 0.3 . 1 . . . . 12 PHE N . 26682 1 21 . 1 1 13 13 LYS H H 1 9.191 0.02 . 1 . . . . 13 LYS H . 26682 1 22 . 1 1 13 13 LYS N N 15 121.35 0.3 . 1 . . . . 13 LYS N . 26682 1 23 . 1 1 14 14 GLU H H 1 7.986 0.02 . 1 . . . . 14 GLU H . 26682 1 24 . 1 1 14 14 GLU N N 15 120.528 0.3 . 1 . . . . 14 GLU N . 26682 1 25 . 1 1 15 15 ALA H H 1 7.576 0.02 . 1 . . . . 15 ALA H . 26682 1 26 . 1 1 15 15 ALA N N 15 120.583 0.3 . 1 . . . . 15 ALA N . 26682 1 27 . 1 1 16 16 PHE H H 1 8.586 0.02 . 1 . . . . 16 PHE H . 26682 1 28 . 1 1 16 16 PHE N N 15 117.484 0.3 . 1 . . . . 16 PHE N . 26682 1 29 . 1 1 17 17 SER H H 1 8.345 0.02 . 1 . . . . 17 SER H . 26682 1 30 . 1 1 17 17 SER N N 15 111.656 0.3 . 1 . . . . 17 SER N . 26682 1 31 . 1 1 18 18 LEU H H 1 7.261 0.02 . 1 . . . . 18 LEU H . 26682 1 32 . 1 1 18 18 LEU N N 15 120.546 0.3 . 1 . . . . 18 LEU N . 26682 1 33 . 1 1 19 19 PHE H H 1 7.056 0.02 . 1 . . . . 19 PHE H . 26682 1 34 . 1 1 19 19 PHE N N 15 113.968 0.3 . 1 . . . . 19 PHE N . 26682 1 35 . 1 1 20 20 ALA H H 1 7.452 0.02 . 1 . . . . 20 ALA H . 26682 1 36 . 1 1 20 20 ALA N N 15 123.081 0.3 . 1 . . . . 20 ALA N . 26682 1 37 . 1 1 21 21 LYS H H 1 8.362 0.02 . 1 . . . . 21 LYS H . 26682 1 38 . 1 1 21 21 LYS N N 15 121.199 0.3 . 1 . . . . 21 LYS N . 26682 1 39 . 1 1 22 22 ASP H H 1 8.494 0.02 . 1 . . . . 22 ASP H . 26682 1 40 . 1 1 22 22 ASP N N 15 122.069 0.3 . 1 . . . . 22 ASP N . 26682 1 41 . 1 1 23 23 GLY H H 1 8.347 0.02 . 1 . . . . 23 GLY H . 26682 1 42 . 1 1 23 23 GLY N N 15 109.317 0.3 . 1 . . . . 23 GLY N . 26682 1 43 . 1 1 24 24 ASP H H 1 7.985 0.02 . 1 . . . . 24 ASP H . 26682 1 44 . 1 1 24 24 ASP N N 15 119.784 0.3 . 1 . . . . 24 ASP N . 26682 1 45 . 1 1 25 25 GLY H H 1 8.32 0.02 . 1 . . . . 25 GLY H . 26682 1 46 . 1 1 25 25 GLY N N 15 106.537 0.3 . 1 . . . . 25 GLY N . 26682 1 47 . 1 1 26 26 THR H H 1 7.523 0.02 . 1 . . . . 26 THR H . 26682 1 48 . 1 1 26 26 THR N N 15 107.782 0.3 . 1 . . . . 26 THR N . 26682 1 49 . 1 1 27 27 ILE H H 1 8.429 0.02 . 1 . . . . 27 ILE H . 26682 1 50 . 1 1 27 27 ILE N N 15 111.198 0.3 . 1 . . . . 27 ILE N . 26682 1 51 . 1 1 28 28 THR H H 1 8.529 0.02 . 1 . . . . 28 THR H . 26682 1 52 . 1 1 28 28 THR N N 15 110.566 0.3 . 1 . . . . 28 THR N . 26682 1 53 . 1 1 29 29 THR H H 1 8.215 0.02 . 1 . . . . 29 THR H . 26682 1 54 . 1 1 29 29 THR N N 15 110.671 0.3 . 1 . . . . 29 THR N . 26682 1 55 . 1 1 30 30 LYS H H 1 7.564 0.02 . 1 . . . . 30 LYS H . 26682 1 56 . 1 1 30 30 LYS N N 15 119.055 0.3 . 1 . . . . 30 LYS N . 26682 1 57 . 1 1 31 31 GLU H H 1 7.469 0.02 . 1 . . . . 31 GLU H . 26682 1 58 . 1 1 31 31 GLU N N 15 118.084 0.3 . 1 . . . . 31 GLU N . 26682 1 59 . 1 1 32 32 LEU H H 1 7.362 0.02 . 1 . . . . 32 LEU H . 26682 1 60 . 1 1 32 32 LEU N N 15 120.544 0.3 . 1 . . . . 32 LEU N . 26682 1 61 . 1 1 33 33 GLY H H 1 8.531 0.02 . 1 . . . . 33 GLY H . 26682 1 62 . 1 1 33 33 GLY N N 15 104.903 0.3 . 1 . . . . 33 GLY N . 26682 1 63 . 1 1 34 34 THR H H 1 7.384 0.02 . 1 . . . . 34 THR H . 26682 1 64 . 1 1 34 34 THR N N 15 118.195 0.3 . 1 . . . . 34 THR N . 26682 1 65 . 1 1 35 35 VAL H H 1 7.93 0.02 . 1 . . . . 35 VAL H . 26682 1 66 . 1 1 35 35 VAL N N 15 122.39 0.3 . 1 . . . . 35 VAL N . 26682 1 67 . 1 1 36 36 MET H H 1 8.349 0.02 . 1 . . . . 36 MET H . 26682 1 68 . 1 1 36 36 MET N N 15 118.134 0.3 . 1 . . . . 36 MET N . 26682 1 69 . 1 1 37 37 ARG H H 1 8.422 0.02 . 1 . . . . 37 ARG H . 26682 1 70 . 1 1 37 37 ARG N N 15 119.169 0.3 . 1 . . . . 37 ARG N . 26682 1 71 . 1 1 38 38 SER H H 1 7.998 0.02 . 1 . . . . 38 SER H . 26682 1 72 . 1 1 38 38 SER N N 15 118.814 0.3 . 1 . . . . 38 SER N . 26682 1 73 . 1 1 39 39 LEU H H 1 7.261 0.02 . 1 . . . . 39 LEU H . 26682 1 74 . 1 1 39 39 LEU N N 15 120.675 0.3 . 1 . . . . 39 LEU N . 26682 1 75 . 1 1 40 40 GLY H H 1 7.859 0.02 . 1 . . . . 40 GLY H . 26682 1 76 . 1 1 40 40 GLY N N 15 106.965 0.3 . 1 . . . . 40 GLY N . 26682 1 77 . 1 1 41 41 GLN H H 1 7.673 0.02 . 1 . . . . 41 GLN H . 26682 1 78 . 1 1 41 41 GLN N N 15 117.583 0.3 . 1 . . . . 41 GLN N . 26682 1 79 . 1 1 42 42 ASN H H 1 8.605 0.02 . 1 . . . . 42 ASN H . 26682 1 80 . 1 1 42 42 ASN N N 15 116.352 0.3 . 1 . . . . 42 ASN N . 26682 1 81 . 1 1 44 44 THR H H 1 8.688 0.02 . 1 . . . . 44 THR H . 26682 1 82 . 1 1 44 44 THR N N 15 112.844 0.3 . 1 . . . . 44 THR N . 26682 1 83 . 1 1 45 45 GLU H H 1 8.774 0.02 . 1 . . . . 45 GLU H . 26682 1 84 . 1 1 45 45 GLU N N 15 120.218 0.3 . 1 . . . . 45 GLU N . 26682 1 85 . 1 1 46 46 ALA H H 1 8.245 0.02 . 1 . . . . 46 ALA H . 26682 1 86 . 1 1 46 46 ALA N N 15 120.747 0.3 . 1 . . . . 46 ALA N . 26682 1 87 . 1 1 47 47 GLU H H 1 7.669 0.02 . 1 . . . . 47 GLU H . 26682 1 88 . 1 1 47 47 GLU N N 15 118.663 0.3 . 1 . . . . 47 GLU N . 26682 1 89 . 1 1 48 48 LEU H H 1 8.175 0.02 . 1 . . . . 48 LEU H . 26682 1 90 . 1 1 48 48 LEU N N 15 119.754 0.3 . 1 . . . . 48 LEU N . 26682 1 91 . 1 1 49 49 GLN H H 1 7.979 0.02 . 1 . . . . 49 GLN H . 26682 1 92 . 1 1 49 49 GLN N N 15 117.263 0.3 . 1 . . . . 49 GLN N . 26682 1 93 . 1 1 50 50 ASP H H 1 7.837 0.02 . 1 . . . . 50 ASP H . 26682 1 94 . 1 1 50 50 ASP N N 15 118.802 0.3 . 1 . . . . 50 ASP N . 26682 1 95 . 1 1 51 51 MET H H 1 7.844 0.02 . 1 . . . . 51 MET H . 26682 1 96 . 1 1 51 51 MET N N 15 118.602 0.3 . 1 . . . . 51 MET N . 26682 1 97 . 1 1 52 52 ILE H H 1 8.132 0.02 . 1 . . . . 52 ILE H . 26682 1 98 . 1 1 52 52 ILE N N 15 118.575 0.3 . 1 . . . . 52 ILE N . 26682 1 99 . 1 1 53 53 ASN H H 1 8.23 0.02 . 1 . . . . 53 ASN H . 26682 1 100 . 1 1 53 53 ASN N N 15 117.456 0.3 . 1 . . . . 53 ASN N . 26682 1 101 . 1 1 54 54 GLU H H 1 7.656 0.02 . 1 . . . . 54 GLU H . 26682 1 102 . 1 1 54 54 GLU N N 15 117.344 0.3 . 1 . . . . 54 GLU N . 26682 1 103 . 1 1 55 55 VAL H H 1 7.458 0.02 . 1 . . . . 55 VAL H . 26682 1 104 . 1 1 55 55 VAL N N 15 113.749 0.3 . 1 . . . . 55 VAL N . 26682 1 105 . 1 1 56 56 ALA H H 1 8.189 0.02 . 1 . . . . 56 ALA H . 26682 1 106 . 1 1 56 56 ALA N N 15 124.057 0.3 . 1 . . . . 56 ALA N . 26682 1 107 . 1 1 57 57 ALA H H 1 8.132 0.02 . 1 . . . . 57 ALA H . 26682 1 108 . 1 1 57 57 ALA N N 15 123.228 0.3 . 1 . . . . 57 ALA N . 26682 1 109 . 1 1 58 58 ASP H H 1 8.223 0.02 . 1 . . . . 58 ASP H . 26682 1 110 . 1 1 58 58 ASP N N 15 116.185 0.3 . 1 . . . . 58 ASP N . 26682 1 111 . 1 1 59 59 GLY H H 1 7.976 0.02 . 1 . . . . 59 GLY H . 26682 1 112 . 1 1 59 59 GLY N N 15 107.385 0.3 . 1 . . . . 59 GLY N . 26682 1 113 . 1 1 60 60 ASN H H 1 8.338 0.02 . 1 . . . . 60 ASN H . 26682 1 114 . 1 1 60 60 ASN N N 15 118.064 0.3 . 1 . . . . 60 ASN N . 26682 1 115 . 1 1 61 61 GLY H H 1 8.451 0.02 . 1 . . . . 61 GLY H . 26682 1 116 . 1 1 61 61 GLY N N 15 107.713 0.3 . 1 . . . . 61 GLY N . 26682 1 117 . 1 1 62 62 THR H H 1 7.696 0.02 . 1 . . . . 62 THR H . 26682 1 118 . 1 1 62 62 THR N N 15 111.076 0.3 . 1 . . . . 62 THR N . 26682 1 119 . 1 1 63 63 ILE H H 1 8.967 0.02 . 1 . . . . 63 ILE H . 26682 1 120 . 1 1 63 63 ILE N N 15 120.087 0.3 . 1 . . . . 63 ILE N . 26682 1 121 . 1 1 64 64 ASP H H 1 8.42 0.02 . 1 . . . . 64 ASP H . 26682 1 122 . 1 1 64 64 ASP N N 15 124.941 0.3 . 1 . . . . 64 ASP N . 26682 1 123 . 1 1 65 65 PHE H H 1 8.928 0.02 . 1 . . . . 65 PHE H . 26682 1 124 . 1 1 65 65 PHE N N 15 118.092 0.3 . 1 . . . . 65 PHE N . 26682 1 125 . 1 1 67 67 GLU H H 1 8.02 0.02 . 1 . . . . 67 GLU H . 26682 1 126 . 1 1 67 67 GLU N N 15 117.588 0.3 . 1 . . . . 67 GLU N . 26682 1 127 . 1 1 68 68 PHE H H 1 8.464 0.02 . 1 . . . . 68 PHE H . 26682 1 128 . 1 1 68 68 PHE N N 15 122.207 0.3 . 1 . . . . 68 PHE N . 26682 1 129 . 1 1 69 69 LEU H H 1 8.394 0.02 . 1 . . . . 69 LEU H . 26682 1 130 . 1 1 69 69 LEU N N 15 118.283 0.3 . 1 . . . . 69 LEU N . 26682 1 131 . 1 1 70 70 THR H H 1 7.638 0.02 . 1 . . . . 70 THR H . 26682 1 132 . 1 1 70 70 THR N N 15 115.827 0.3 . 1 . . . . 70 THR N . 26682 1 133 . 1 1 71 71 MET H H 1 7.795 0.02 . 1 . . . . 71 MET H . 26682 1 134 . 1 1 71 71 MET N N 15 120.865 0.3 . 1 . . . . 71 MET N . 26682 1 135 . 1 1 72 72 MET H H 1 7.968 0.02 . 1 . . . . 72 MET H . 26682 1 136 . 1 1 72 72 MET N N 15 117.111 0.3 . 1 . . . . 72 MET N . 26682 1 137 . 1 1 73 73 ALA H H 1 8.211 0.02 . 1 . . . . 73 ALA H . 26682 1 138 . 1 1 73 73 ALA N N 15 120.833 0.3 . 1 . . . . 73 ALA N . 26682 1 139 . 1 1 74 74 ARG H H 1 7.394 0.02 . 1 . . . . 74 ARG H . 26682 1 140 . 1 1 74 74 ARG N N 15 116.554 0.3 . 1 . . . . 74 ARG N . 26682 1 141 . 1 1 75 75 LYS H H 1 7.622 0.02 . 1 . . . . 75 LYS H . 26682 1 142 . 1 1 75 75 LYS N N 15 118.287 0.3 . 1 . . . . 75 LYS N . 26682 1 143 . 1 1 76 76 MET H H 1 7.879 0.02 . 1 . . . . 76 MET H . 26682 1 144 . 1 1 76 76 MET N N 15 117.661 0.3 . 1 . . . . 76 MET N . 26682 1 145 . 1 1 77 77 LYS H H 1 7.667 0.02 . 1 . . . . 77 LYS H . 26682 1 146 . 1 1 77 77 LYS N N 15 120.522 0.3 . 1 . . . . 77 LYS N . 26682 1 147 . 1 1 78 78 ASP H H 1 8.248 0.02 . 1 . . . . 78 ASP H . 26682 1 148 . 1 1 78 78 ASP N N 15 121.734 0.3 . 1 . . . . 78 ASP N . 26682 1 149 . 1 1 79 79 THR H H 1 8.072 0.02 . 1 . . . . 79 THR H . 26682 1 150 . 1 1 79 79 THR N N 15 114.662 0.3 . 1 . . . . 79 THR N . 26682 1 151 . 1 1 80 80 ASP H H 1 8.381 0.02 . 1 . . . . 80 ASP H . 26682 1 152 . 1 1 80 80 ASP N N 15 122.933 0.3 . 1 . . . . 80 ASP N . 26682 1 153 . 1 1 81 81 SER H H 1 8.385 0.02 . 1 . . . . 81 SER H . 26682 1 154 . 1 1 81 81 SER N N 15 117.005 0.3 . 1 . . . . 81 SER N . 26682 1 155 . 1 1 82 82 GLU H H 1 8.362 0.02 . 1 . . . . 82 GLU H . 26682 1 156 . 1 1 82 82 GLU N N 15 121.619 0.3 . 1 . . . . 82 GLU N . 26682 1 157 . 1 1 83 83 GLU H H 1 8.11 0.02 . 1 . . . . 83 GLU H . 26682 1 158 . 1 1 83 83 GLU N N 15 118.269 0.3 . 1 . . . . 83 GLU N . 26682 1 159 . 1 1 84 84 GLU H H 1 7.94 0.02 . 1 . . . . 84 GLU H . 26682 1 160 . 1 1 84 84 GLU N N 15 118.933 0.3 . 1 . . . . 84 GLU N . 26682 1 161 . 1 1 85 85 ILE H H 1 7.857 0.02 . 1 . . . . 85 ILE H . 26682 1 162 . 1 1 85 85 ILE N N 15 120.059 0.3 . 1 . . . . 85 ILE N . 26682 1 163 . 1 1 86 86 ARG H H 1 8.29 0.02 . 1 . . . . 86 ARG H . 26682 1 164 . 1 1 86 86 ARG N N 15 119.229 0.3 . 1 . . . . 86 ARG N . 26682 1 165 . 1 1 87 87 GLU H H 1 8.32 0.02 . 1 . . . . 87 GLU H . 26682 1 166 . 1 1 87 87 GLU N N 15 116.761 0.3 . 1 . . . . 87 GLU N . 26682 1 167 . 1 1 88 88 ALA H H 1 7.442 0.02 . 1 . . . . 88 ALA H . 26682 1 168 . 1 1 88 88 ALA N N 15 121.161 0.3 . 1 . . . . 88 ALA N . 26682 1 169 . 1 1 89 89 PHE H H 1 7.42 0.02 . 1 . . . . 89 PHE H . 26682 1 170 . 1 1 89 89 PHE N N 15 113.977 0.3 . 1 . . . . 89 PHE N . 26682 1 171 . 1 1 90 90 ARG H H 1 8.147 0.02 . 1 . . . . 90 ARG H . 26682 1 172 . 1 1 90 90 ARG N N 15 117.775 0.3 . 1 . . . . 90 ARG N . 26682 1 173 . 1 1 91 91 VAL H H 1 7.09 0.02 . 1 . . . . 91 VAL H . 26682 1 174 . 1 1 91 91 VAL N N 15 116.807 0.3 . 1 . . . . 91 VAL N . 26682 1 175 . 1 1 93 93 ASP H H 1 7.763 0.02 . 1 . . . . 93 ASP H . 26682 1 176 . 1 1 93 93 ASP N N 15 121.119 0.3 . 1 . . . . 93 ASP N . 26682 1 177 . 1 1 94 94 LYS H H 1 8.336 0.02 . 1 . . . . 94 LYS H . 26682 1 178 . 1 1 94 94 LYS N N 15 124.233 0.3 . 1 . . . . 94 LYS N . 26682 1 179 . 1 1 95 95 ASP H H 1 8.53 0.02 . 1 . . . . 95 ASP H . 26682 1 180 . 1 1 95 95 ASP N N 15 116.231 0.3 . 1 . . . . 95 ASP N . 26682 1 181 . 1 1 96 96 GLY H H 1 7.995 0.02 . 1 . . . . 96 GLY H . 26682 1 182 . 1 1 96 96 GLY N N 15 109.905 0.3 . 1 . . . . 96 GLY N . 26682 1 183 . 1 1 97 97 ASN H H 1 8.936 0.02 . 1 . . . . 97 ASN H . 26682 1 184 . 1 1 97 97 ASN N N 15 118.477 0.3 . 1 . . . . 97 ASN N . 26682 1 185 . 1 1 98 98 GLY H H 1 8.368 0.02 . 1 . . . . 98 GLY H . 26682 1 186 . 1 1 98 98 GLY N N 15 109.301 0.3 . 1 . . . . 98 GLY N . 26682 1 187 . 1 1 99 99 TYR H H 1 7.701 0.02 . 1 . . . . 99 TYR H . 26682 1 188 . 1 1 99 99 TYR N N 15 118.033 0.3 . 1 . . . . 99 TYR N . 26682 1 189 . 1 1 100 100 ILE H H 1 8.541 0.02 . 1 . . . . 100 ILE H . 26682 1 190 . 1 1 100 100 ILE N N 15 113.244 0.3 . 1 . . . . 100 ILE N . 26682 1 191 . 1 1 101 101 SER H H 1 8.83 0.02 . 1 . . . . 101 SER H . 26682 1 192 . 1 1 101 101 SER N N 15 117.204 0.3 . 1 . . . . 101 SER N . 26682 1 193 . 1 1 102 102 ALA H H 1 8.742 0.02 . 1 . . . . 102 ALA H . 26682 1 194 . 1 1 102 102 ALA N N 15 124.615 0.3 . 1 . . . . 102 ALA N . 26682 1 195 . 1 1 103 103 ALA H H 1 8.194 0.02 . 1 . . . . 103 ALA H . 26682 1 196 . 1 1 103 103 ALA N N 15 118.833 0.3 . 1 . . . . 103 ALA N . 26682 1 197 . 1 1 104 104 GLU H H 1 7.661 0.02 . 1 . . . . 104 GLU H . 26682 1 198 . 1 1 104 104 GLU N N 15 120.033 0.3 . 1 . . . . 104 GLU N . 26682 1 199 . 1 1 105 105 LEU H H 1 8.131 0.02 . 1 . . . . 105 LEU H . 26682 1 200 . 1 1 105 105 LEU N N 15 120.563 0.3 . 1 . . . . 105 LEU N . 26682 1 201 . 1 1 106 106 ARG H H 1 7.971 0.02 . 1 . . . . 106 ARG H . 26682 1 202 . 1 1 106 106 ARG N N 15 117.033 0.3 . 1 . . . . 106 ARG N . 26682 1 203 . 1 1 107 107 HIS H H 1 7.657 0.02 . 1 . . . . 107 HIS H . 26682 1 204 . 1 1 107 107 HIS N N 15 118.426 0.3 . 1 . . . . 107 HIS N . 26682 1 205 . 1 1 108 108 VAL H H 1 8.048 0.02 . 1 . . . . 108 VAL H . 26682 1 206 . 1 1 108 108 VAL N N 15 119.488 0.3 . 1 . . . . 108 VAL N . 26682 1 207 . 1 1 109 109 MET H H 1 8.271 0.02 . 1 . . . . 109 MET H . 26682 1 208 . 1 1 109 109 MET N N 15 119.06 0.3 . 1 . . . . 109 MET N . 26682 1 209 . 1 1 110 110 THR H H 1 7.858 0.02 . 1 . . . . 110 THR H . 26682 1 210 . 1 1 110 110 THR N N 15 110.972 0.3 . 1 . . . . 110 THR N . 26682 1 211 . 1 1 111 111 ASN H H 1 7.592 0.02 . 1 . . . . 111 ASN H . 26682 1 212 . 1 1 111 111 ASN N N 15 119.492 0.3 . 1 . . . . 111 ASN N . 26682 1 213 . 1 1 112 112 LEU H H 1 7.666 0.02 . 1 . . . . 112 LEU H . 26682 1 214 . 1 1 112 112 LEU N N 15 119.633 0.3 . 1 . . . . 112 LEU N . 26682 1 215 . 1 1 113 113 GLY H H 1 8.091 0.02 . 1 . . . . 113 GLY H . 26682 1 216 . 1 1 113 113 GLY N N 15 107.833 0.3 . 1 . . . . 113 GLY N . 26682 1 217 . 1 1 114 114 GLU H H 1 8.101 0.02 . 1 . . . . 114 GLU H . 26682 1 218 . 1 1 114 114 GLU N N 15 120.033 0.3 . 1 . . . . 114 GLU N . 26682 1 219 . 1 1 115 115 LYS H H 1 8.181 0.02 . 1 . . . . 115 LYS H . 26682 1 220 . 1 1 115 115 LYS N N 15 119.933 0.3 . 1 . . . . 115 LYS N . 26682 1 221 . 1 1 116 116 LEU H H 1 7.695 0.02 . 1 . . . . 116 LEU H . 26682 1 222 . 1 1 116 116 LEU N N 15 120.891 0.3 . 1 . . . . 116 LEU N . 26682 1 223 . 1 1 117 117 THR H H 1 8.875 0.02 . 1 . . . . 117 THR H . 26682 1 224 . 1 1 117 117 THR N N 15 113.319 0.3 . 1 . . . . 117 THR N . 26682 1 225 . 1 1 118 118 ASP H H 1 8.74 0.02 . 1 . . . . 118 ASP H . 26682 1 226 . 1 1 118 118 ASP N N 15 120.733 0.3 . 1 . . . . 118 ASP N . 26682 1 227 . 1 1 119 119 GLU H H 1 8.493 0.02 . 1 . . . . 119 GLU H . 26682 1 228 . 1 1 119 119 GLU N N 15 117.747 0.3 . 1 . . . . 119 GLU N . 26682 1 229 . 1 1 120 120 GLU H H 1 7.728 0.02 . 1 . . . . 120 GLU H . 26682 1 230 . 1 1 120 120 GLU N N 15 120.331 0.3 . 1 . . . . 120 GLU N . 26682 1 231 . 1 1 121 121 VAL H H 1 8.142 0.02 . 1 . . . . 121 VAL H . 26682 1 232 . 1 1 121 121 VAL N N 15 120.628 0.3 . 1 . . . . 121 VAL N . 26682 1 233 . 1 1 122 122 ASP H H 1 8.294 0.02 . 1 . . . . 122 ASP H . 26682 1 234 . 1 1 122 122 ASP N N 15 119.034 0.3 . 1 . . . . 122 ASP N . 26682 1 235 . 1 1 123 123 GLU H H 1 7.791 0.02 . 1 . . . . 123 GLU H . 26682 1 236 . 1 1 123 123 GLU N N 15 119.033 0.3 . 1 . . . . 123 GLU N . 26682 1 237 . 1 1 124 124 MET H H 1 7.83 0.02 . 1 . . . . 124 MET H . 26682 1 238 . 1 1 124 124 MET N N 15 118.533 0.3 . 1 . . . . 124 MET N . 26682 1 239 . 1 1 125 125 ILE H H 1 8.254 0.02 . 1 . . . . 125 ILE H . 26682 1 240 . 1 1 125 125 ILE N N 15 118.204 0.3 . 1 . . . . 125 ILE N . 26682 1 241 . 1 1 126 126 ARG H H 1 7.867 0.02 . 1 . . . . 126 ARG H . 26682 1 242 . 1 1 126 126 ARG N N 15 119.433 0.3 . 1 . . . . 126 ARG N . 26682 1 243 . 1 1 127 127 GLU H H 1 7.765 0.02 . 1 . . . . 127 GLU H . 26682 1 244 . 1 1 127 127 GLU N N 15 116.802 0.3 . 1 . . . . 127 GLU N . 26682 1 245 . 1 1 128 128 ALA H H 1 7.534 0.02 . 1 . . . . 128 ALA H . 26682 1 246 . 1 1 128 128 ALA N N 15 121.372 0.3 . 1 . . . . 128 ALA N . 26682 1 247 . 1 1 129 129 ASP H H 1 8.281 0.02 . 1 . . . . 129 ASP H . 26682 1 248 . 1 1 129 129 ASP N N 15 119.433 0.3 . 1 . . . . 129 ASP N . 26682 1 249 . 1 1 130 130 ILE H H 1 7.761 0.02 . 1 . . . . 130 ILE H . 26682 1 250 . 1 1 130 130 ILE N N 15 120.833 0.3 . 1 . . . . 130 ILE N . 26682 1 251 . 1 1 131 131 ASP H H 1 8.53 0.02 . 1 . . . . 131 ASP H . 26682 1 252 . 1 1 131 131 ASP N N 15 123.821 0.3 . 1 . . . . 131 ASP N . 26682 1 253 . 1 1 132 132 GLY H H 1 8.281 0.02 . 1 . . . . 132 GLY H . 26682 1 254 . 1 1 132 132 GLY N N 15 107.761 0.3 . 1 . . . . 132 GLY N . 26682 1 255 . 1 1 133 133 ASP H H 1 8.211 0.02 . 1 . . . . 133 ASP H . 26682 1 256 . 1 1 133 133 ASP N N 15 119.133 0.3 . 1 . . . . 133 ASP N . 26682 1 257 . 1 1 134 134 GLY H H 1 8.465 0.02 . 1 . . . . 134 GLY H . 26682 1 258 . 1 1 134 134 GLY N N 15 109.277 0.3 . 1 . . . . 134 GLY N . 26682 1 259 . 1 1 135 135 GLN H H 1 8.228 0.02 . 1 . . . . 135 GLN H . 26682 1 260 . 1 1 135 135 GLN N N 15 119.247 0.3 . 1 . . . . 135 GLN N . 26682 1 261 . 1 1 136 136 VAL H H 1 9.341 0.02 . 1 . . . . 136 VAL H . 26682 1 262 . 1 1 136 136 VAL N N 15 119.233 0.3 . 1 . . . . 136 VAL N . 26682 1 263 . 1 1 137 137 ASN H H 1 8.701 0.02 . 1 . . . . 137 ASN H . 26682 1 264 . 1 1 137 137 ASN N N 15 124.877 0.3 . 1 . . . . 137 ASN N . 26682 1 265 . 1 1 138 138 TYR H H 1 7.441 0.02 . 1 . . . . 138 TYR H . 26682 1 266 . 1 1 138 138 TYR N N 15 122.233 0.3 . 1 . . . . 138 TYR N . 26682 1 267 . 1 1 139 139 GLU H H 1 8.092 0.02 . 1 . . . . 139 GLU H . 26682 1 268 . 1 1 139 139 GLU N N 15 125.599 0.3 . 1 . . . . 139 GLU N . 26682 1 269 . 1 1 140 140 GLU H H 1 7.781 0.02 . 1 . . . . 140 GLU H . 26682 1 270 . 1 1 140 140 GLU N N 15 116.806 0.3 . 1 . . . . 140 GLU N . 26682 1 271 . 1 1 141 141 PHE H H 1 7.488 0.02 . 1 . . . . 141 PHE H . 26682 1 272 . 1 1 141 141 PHE N N 15 118.833 0.3 . 1 . . . . 141 PHE N . 26682 1 273 . 1 1 142 142 VAL H H 1 8.061 0.02 . 1 . . . . 142 VAL H . 26682 1 274 . 1 1 142 142 VAL N N 15 119.833 0.3 . 1 . . . . 142 VAL N . 26682 1 275 . 1 1 143 143 GLN H H 1 7.783 0.02 . 1 . . . . 143 GLN H . 26682 1 276 . 1 1 143 143 GLN N N 15 117.13 0.3 . 1 . . . . 143 GLN N . 26682 1 277 . 1 1 144 144 MET H H 1 7.688 0.02 . 1 . . . . 144 MET H . 26682 1 278 . 1 1 144 144 MET N N 15 117.833 0.3 . 1 . . . . 144 MET N . 26682 1 279 . 1 1 145 145 MET H H 1 7.902 0.02 . 1 . . . . 145 MET H . 26682 1 280 . 1 1 145 145 MET N N 15 115.932 0.3 . 1 . . . . 145 MET N . 26682 1 281 . 1 1 146 146 THR H H 1 7.632 0.02 . 1 . . . . 146 THR H . 26682 1 282 . 1 1 146 146 THR N N 15 110.272 0.3 . 1 . . . . 146 THR N . 26682 1 283 . 1 1 147 147 ALA H H 1 7.54 0.02 . 1 . . . . 147 ALA H . 26682 1 284 . 1 1 147 147 ALA N N 15 125.404 0.3 . 1 . . . . 147 ALA N . 26682 1 285 . 1 1 148 148 LYS H H 1 7.629 0.02 . 1 . . . . 148 LYS H . 26682 1 286 . 1 1 148 148 LYS N N 15 125.305 0.3 . 1 . . . . 148 LYS N . 26682 1 stop_ save_