################################### # 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 18254 _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' . . . 18254 1 2 '3D HNCO' . . . 18254 1 3 '3D HNCA' . . . 18254 1 4 '3D HNCACB' . . . 18254 1 5 '3D CBCA(CO)NH' . . . 18254 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 4 4 SER H H 1 7.154 0.02 . 1 . . . . 4 SER H . 18254 1 2 . 1 1 4 4 SER N N 15 112.968 0.3 . 1 . . . . 4 SER N . 18254 1 3 . 1 1 5 5 VAL H H 1 8.006 0.02 . 1 . . . . 5 VAL H . 18254 1 4 . 1 1 5 5 VAL N N 15 119.014 0.3 . 1 . . . . 5 VAL N . 18254 1 5 . 1 1 6 6 ASP H H 1 8.137 0.02 . 1 . . . . 6 ASP H . 18254 1 6 . 1 1 6 6 ASP N N 15 126.530 0.3 . 1 . . . . 6 ASP N . 18254 1 7 . 1 1 7 7 ILE H H 1 8.932 0.02 . 1 . . . . 7 ILE H . 18254 1 8 . 1 1 7 7 ILE N N 15 123.987 0.3 . 1 . . . . 7 ILE N . 18254 1 9 . 1 1 8 8 GLN H H 1 8.219 0.02 . 1 . . . . 8 GLN H . 18254 1 10 . 1 1 8 8 GLN N N 15 123.629 0.3 . 1 . . . . 8 GLN N . 18254 1 11 . 1 1 12 12 GLN H H 1 7.570 0.02 . 1 . . . . 12 GLN H . 18254 1 12 . 1 1 12 12 GLN N N 15 117.124 0.3 . 1 . . . . 12 GLN N . 18254 1 13 . 1 1 13 13 MET H H 1 7.097 0.02 . 1 . . . . 13 MET H . 18254 1 14 . 1 1 13 13 MET N N 15 110.806 0.3 . 1 . . . . 13 MET N . 18254 1 15 . 1 1 14 14 GLN H H 1 6.665 0.02 . 1 . . . . 14 GLN H . 18254 1 16 . 1 1 14 14 GLN N N 15 109.430 0.3 . 1 . . . . 14 GLN N . 18254 1 17 . 1 1 15 15 PHE H H 1 8.954 0.02 . 1 . . . . 15 PHE H . 18254 1 18 . 1 1 15 15 PHE N N 15 120.962 0.3 . 1 . . . . 15 PHE N . 18254 1 19 . 1 1 16 16 ASN H H 1 8.624 0.02 . 1 . . . . 16 ASN H . 18254 1 20 . 1 1 16 16 ASN N N 15 117.075 0.3 . 1 . . . . 16 ASN N . 18254 1 21 . 1 1 17 17 THR H H 1 7.066 0.02 . 1 . . . . 17 THR H . 18254 1 22 . 1 1 17 17 THR N N 15 112.047 0.3 . 1 . . . . 17 THR N . 18254 1 23 . 1 1 19 19 ALA H H 1 8.226 0.02 . 1 . . . . 19 ALA H . 18254 1 24 . 1 1 19 19 ALA N N 15 124.152 0.3 . 1 . . . . 19 ALA N . 18254 1 25 . 1 1 20 20 ILE H H 1 8.955 0.02 . 1 . . . . 20 ILE H . 18254 1 26 . 1 1 20 20 ILE N N 15 122.793 0.3 . 1 . . . . 20 ILE N . 18254 1 27 . 1 1 21 21 THR H H 1 8.701 0.02 . 1 . . . . 21 THR H . 18254 1 28 . 1 1 21 21 THR N N 15 124.538 0.3 . 1 . . . . 21 THR N . 18254 1 29 . 1 1 22 22 VAL H H 1 8.794 0.02 . 1 . . . . 22 VAL H . 18254 1 30 . 1 1 22 22 VAL N N 15 127.964 0.3 . 1 . . . . 22 VAL N . 18254 1 31 . 1 1 23 23 ASP H H 1 8.167 0.02 . 1 . . . . 23 ASP H . 18254 1 32 . 1 1 23 23 ASP N N 15 128.087 0.3 . 1 . . . . 23 ASP N . 18254 1 33 . 1 1 24 24 LYS H H 1 8.799 0.02 . 1 . . . . 24 LYS H . 18254 1 34 . 1 1 24 24 LYS N N 15 126.052 0.3 . 1 . . . . 24 LYS N . 18254 1 35 . 1 1 25 25 SER H H 1 8.916 0.02 . 1 . . . . 25 SER H . 18254 1 36 . 1 1 25 25 SER N N 15 115.312 0.3 . 1 . . . . 25 SER N . 18254 1 37 . 1 1 26 26 CYS H H 1 8.210 0.02 . 1 . . . . 26 CYS H . 18254 1 38 . 1 1 26 26 CYS N N 15 122.819 0.3 . 1 . . . . 26 CYS N . 18254 1 39 . 1 1 27 27 LYS H H 1 8.722 0.02 . 1 . . . . 27 LYS H . 18254 1 40 . 1 1 27 27 LYS N N 15 122.761 0.3 . 1 . . . . 27 LYS N . 18254 1 41 . 1 1 28 28 GLN H H 1 7.699 0.02 . 1 . . . . 28 GLN H . 18254 1 42 . 1 1 28 28 GLN N N 15 116.539 0.3 . 1 . . . . 28 GLN N . 18254 1 43 . 1 1 29 29 PHE H H 1 8.333 0.02 . 1 . . . . 29 PHE H . 18254 1 44 . 1 1 29 29 PHE N N 15 121.391 0.3 . 1 . . . . 29 PHE N . 18254 1 45 . 1 1 30 30 THR H H 1 6.924 0.02 . 1 . . . . 30 THR H . 18254 1 46 . 1 1 30 30 THR N N 15 122.632 0.3 . 1 . . . . 30 THR N . 18254 1 47 . 1 1 31 31 VAL H H 1 8.558 0.02 . 1 . . . . 31 VAL H . 18254 1 48 . 1 1 31 31 VAL N N 15 125.609 0.3 . 1 . . . . 31 VAL N . 18254 1 49 . 1 1 32 32 ASN H H 1 8.310 0.02 . 1 . . . . 32 ASN H . 18254 1 50 . 1 1 32 32 ASN N N 15 124.762 0.3 . 1 . . . . 32 ASN N . 18254 1 51 . 1 1 33 33 LEU H H 1 9.026 0.02 . 1 . . . . 33 LEU H . 18254 1 52 . 1 1 33 33 LEU N N 15 128.283 0.3 . 1 . . . . 33 LEU N . 18254 1 53 . 1 1 34 34 SER H H 1 8.584 0.02 . 1 . . . . 34 SER H . 18254 1 54 . 1 1 34 34 SER N N 15 119.422 0.3 . 1 . . . . 34 SER N . 18254 1 55 . 1 1 41 41 LYS H H 1 8.917 0.02 . 1 . . . . 41 LYS H . 18254 1 56 . 1 1 41 41 LYS N N 15 119.592 0.3 . 1 . . . . 41 LYS N . 18254 1 57 . 1 1 42 42 ASN H H 1 8.177 0.02 . 1 . . . . 42 ASN H . 18254 1 58 . 1 1 42 42 ASN N N 15 109.971 0.3 . 1 . . . . 42 ASN N . 18254 1 59 . 1 1 43 43 VAL H H 1 7.150 0.02 . 1 . . . . 43 VAL H . 18254 1 60 . 1 1 43 43 VAL N N 15 114.965 0.3 . 1 . . . . 43 VAL N . 18254 1 61 . 1 1 44 44 MET H H 1 7.973 0.02 . 1 . . . . 44 MET H . 18254 1 62 . 1 1 44 44 MET N N 15 121.519 0.3 . 1 . . . . 44 MET N . 18254 1 63 . 1 1 47 47 ASN H H 1 8.642 0.02 . 1 . . . . 47 ASN H . 18254 1 64 . 1 1 47 47 ASN N N 15 119.933 0.3 . 1 . . . . 47 ASN N . 18254 1 65 . 1 1 48 48 TRP H H 1 7.672 0.02 . 1 . . . . 48 TRP H . 18254 1 66 . 1 1 48 48 TRP N N 15 116.685 0.3 . 1 . . . . 48 TRP N . 18254 1 67 . 1 1 49 49 VAL H H 1 7.964 0.02 . 1 . . . . 49 VAL H . 18254 1 68 . 1 1 49 49 VAL N N 15 128.899 0.3 . 1 . . . . 49 VAL N . 18254 1 69 . 1 1 50 50 LEU H H 1 7.562 0.02 . 1 . . . . 50 LEU H . 18254 1 70 . 1 1 50 50 LEU N N 15 124.625 0.3 . 1 . . . . 50 LEU N . 18254 1 71 . 1 1 51 51 SER H H 1 9.049 0.02 . 1 . . . . 51 SER H . 18254 1 72 . 1 1 51 51 SER N N 15 122.287 0.3 . 1 . . . . 51 SER N . 18254 1 73 . 1 1 52 52 THR H H 1 9.912 0.02 . 1 . . . . 52 THR H . 18254 1 74 . 1 1 52 52 THR N N 15 111.552 0.3 . 1 . . . . 52 THR N . 18254 1 75 . 1 1 53 53 ALA H H 1 8.854 0.02 . 1 . . . . 53 ALA H . 18254 1 76 . 1 1 53 53 ALA N N 15 125.891 0.3 . 1 . . . . 53 ALA N . 18254 1 77 . 1 1 54 54 ALA H H 1 8.252 0.02 . 1 . . . . 54 ALA H . 18254 1 78 . 1 1 54 54 ALA N N 15 118.552 0.3 . 1 . . . . 54 ALA N . 18254 1 79 . 1 1 55 55 ASP H H 1 7.234 0.02 . 1 . . . . 55 ASP H . 18254 1 80 . 1 1 55 55 ASP N N 15 115.867 0.3 . 1 . . . . 55 ASP N . 18254 1 81 . 1 1 56 56 MET H H 1 6.898 0.02 . 1 . . . . 56 MET H . 18254 1 82 . 1 1 56 56 MET N N 15 119.985 0.3 . 1 . . . . 56 MET N . 18254 1 83 . 1 1 57 57 GLN H H 1 8.557 0.02 . 1 . . . . 57 GLN H . 18254 1 84 . 1 1 57 57 GLN N N 15 115.737 0.3 . 1 . . . . 57 GLN N . 18254 1 85 . 1 1 58 58 GLY H H 1 8.393 0.02 . 1 . . . . 58 GLY H . 18254 1 86 . 1 1 58 58 GLY N N 15 109.911 0.3 . 1 . . . . 58 GLY N . 18254 1 87 . 1 1 59 59 VAL H H 1 7.812 0.02 . 1 . . . . 59 VAL H . 18254 1 88 . 1 1 59 59 VAL N N 15 121.961 0.3 . 1 . . . . 59 VAL N . 18254 1 89 . 1 1 60 60 VAL H H 1 8.430 0.02 . 1 . . . . 60 VAL H . 18254 1 90 . 1 1 60 60 VAL N N 15 120.178 0.3 . 1 . . . . 60 VAL N . 18254 1 91 . 1 1 61 61 THR H H 1 8.536 0.02 . 1 . . . . 61 THR H . 18254 1 92 . 1 1 61 61 THR N N 15 117.89 0.3 . 1 . . . . 61 THR N . 18254 1 93 . 1 1 62 62 ASP H H 1 8.384 0.02 . 1 . . . . 62 ASP H . 18254 1 94 . 1 1 62 62 ASP N N 15 121.823 0.3 . 1 . . . . 62 ASP N . 18254 1 95 . 1 1 63 63 GLY H H 1 8.590 0.02 . 1 . . . . 63 GLY H . 18254 1 96 . 1 1 63 63 GLY N N 15 113.84 0.3 . 1 . . . . 63 GLY N . 18254 1 97 . 1 1 64 64 MET H H 1 8.293 0.02 . 1 . . . . 64 MET H . 18254 1 98 . 1 1 64 64 MET N N 15 121.725 0.3 . 1 . . . . 64 MET N . 18254 1 99 . 1 1 65 65 ALA H H 1 7.000 0.02 . 1 . . . . 65 ALA H . 18254 1 100 . 1 1 65 65 ALA N N 15 117.647 0.3 . 1 . . . . 65 ALA N . 18254 1 101 . 1 1 66 66 SER H H 1 7.558 0.02 . 1 . . . . 66 SER H . 18254 1 102 . 1 1 66 66 SER N N 15 114.653 0.3 . 1 . . . . 66 SER N . 18254 1 103 . 1 1 67 67 GLY H H 1 6.682 0.02 . 1 . . . . 67 GLY H . 18254 1 104 . 1 1 67 67 GLY N N 15 102.520 0.3 . 1 . . . . 67 GLY N . 18254 1 105 . 1 1 68 68 LEU H H 1 7.976 0.02 . 1 . . . . 68 LEU H . 18254 1 106 . 1 1 68 68 LEU N N 15 122.433 0.3 . 1 . . . . 68 LEU N . 18254 1 107 . 1 1 69 69 ASP H H 1 8.440 0.02 . 1 . . . . 69 ASP H . 18254 1 108 . 1 1 69 69 ASP N N 15 116.659 0.3 . 1 . . . . 69 ASP N . 18254 1 109 . 1 1 70 70 LYS H H 1 6.756 0.02 . 1 . . . . 70 LYS H . 18254 1 110 . 1 1 70 70 LYS N N 15 118.950 0.3 . 1 . . . . 70 LYS N . 18254 1 111 . 1 1 71 71 ASP H H 1 7.912 0.02 . 1 . . . . 71 ASP H . 18254 1 112 . 1 1 71 71 ASP N N 15 115.77 0.3 . 1 . . . . 71 ASP N . 18254 1 113 . 1 1 72 72 TYR H H 1 7.558 0.02 . 1 . . . . 72 TYR H . 18254 1 114 . 1 1 72 72 TYR N N 15 104.934 0.3 . 1 . . . . 72 TYR N . 18254 1 115 . 1 1 73 73 LEU H H 1 6.997 0.02 . 1 . . . . 73 LEU H . 18254 1 116 . 1 1 73 73 LEU N N 15 117.525 0.3 . 1 . . . . 73 LEU N . 18254 1 117 . 1 1 74 74 LYS H H 1 8.793 0.02 . 1 . . . . 74 LYS H . 18254 1 118 . 1 1 74 74 LYS N N 15 127.262 0.3 . 1 . . . . 74 LYS N . 18254 1 119 . 1 1 76 76 ASP H H 1 8.760 0.02 . 1 . . . . 76 ASP H . 18254 1 120 . 1 1 76 76 ASP N N 15 118.931 0.3 . 1 . . . . 76 ASP N . 18254 1 121 . 1 1 77 77 ASP H H 1 7.248 0.02 . 1 . . . . 77 ASP H . 18254 1 122 . 1 1 77 77 ASP N N 15 117.440 0.3 . 1 . . . . 77 ASP N . 18254 1 123 . 1 1 78 78 SER H H 1 8.629 0.02 . 1 . . . . 78 SER H . 18254 1 124 . 1 1 78 78 SER N N 15 125.098 0.3 . 1 . . . . 78 SER N . 18254 1 125 . 1 1 79 79 ARG H H 1 8.438 0.02 . 1 . . . . 79 ARG H . 18254 1 126 . 1 1 79 79 ARG N N 15 119.772 0.3 . 1 . . . . 79 ARG N . 18254 1 127 . 1 1 80 80 VAL H H 1 7.267 0.02 . 1 . . . . 80 VAL H . 18254 1 128 . 1 1 80 80 VAL N N 15 118.098 0.3 . 1 . . . . 80 VAL N . 18254 1 129 . 1 1 81 81 ILE H H 1 8.814 0.02 . 1 . . . . 81 ILE H . 18254 1 130 . 1 1 81 81 ILE N N 15 132.124 0.3 . 1 . . . . 81 ILE N . 18254 1 131 . 1 1 82 82 ALA H H 1 7.080 0.02 . 1 . . . . 82 ALA H . 18254 1 132 . 1 1 82 82 ALA N N 15 116.442 0.3 . 1 . . . . 82 ALA N . 18254 1 133 . 1 1 83 83 HIS H H 1 8.524 0.02 . 1 . . . . 83 HIS H . 18254 1 134 . 1 1 83 83 HIS N N 15 113.563 0.3 . 1 . . . . 83 HIS N . 18254 1 135 . 1 1 84 84 THR H H 1 8.609 0.02 . 1 . . . . 84 THR H . 18254 1 136 . 1 1 84 84 THR N N 15 109.659 0.3 . 1 . . . . 84 THR N . 18254 1 137 . 1 1 85 85 LYS H H 1 9.190 0.02 . 1 . . . . 85 LYS H . 18254 1 138 . 1 1 85 85 LYS N N 15 121.136 0.3 . 1 . . . . 85 LYS N . 18254 1 139 . 1 1 86 86 LEU H H 1 7.857 0.02 . 1 . . . . 86 LEU H . 18254 1 140 . 1 1 86 86 LEU N N 15 120.996 0.3 . 1 . . . . 86 LEU N . 18254 1 141 . 1 1 87 87 ILE H H 1 9.458 0.02 . 1 . . . . 87 ILE H . 18254 1 142 . 1 1 87 87 ILE N N 15 121.306 0.3 . 1 . . . . 87 ILE N . 18254 1 143 . 1 1 92 92 LYS H H 1 8.190 0.02 . 1 . . . . 92 LYS H . 18254 1 144 . 1 1 92 92 LYS N N 15 116.691 0.3 . 1 . . . . 92 LYS N . 18254 1 145 . 1 1 93 93 ASP H H 1 8.966 0.02 . 1 . . . . 93 ASP H . 18254 1 146 . 1 1 93 93 ASP N N 15 117.631 0.3 . 1 . . . . 93 ASP N . 18254 1 147 . 1 1 94 94 SER H H 1 7.920 0.02 . 1 . . . . 94 SER H . 18254 1 148 . 1 1 94 94 SER N N 15 116.249 0.3 . 1 . . . . 94 SER N . 18254 1 149 . 1 1 95 95 VAL H H 1 8.587 0.02 . 1 . . . . 95 VAL H . 18254 1 150 . 1 1 95 95 VAL N N 15 121.952 0.3 . 1 . . . . 95 VAL N . 18254 1 151 . 1 1 96 96 THR H H 1 8.414 0.02 . 1 . . . . 96 THR H . 18254 1 152 . 1 1 96 96 THR N N 15 124.787 0.3 . 1 . . . . 96 THR N . 18254 1 153 . 1 1 97 97 PHE H H 1 8.724 0.02 . 1 . . . . 97 PHE H . 18254 1 154 . 1 1 97 97 PHE N N 15 122.761 0.3 . 1 . . . . 97 PHE N . 18254 1 155 . 1 1 98 98 ASP H H 1 8.558 0.02 . 1 . . . . 98 ASP H . 18254 1 156 . 1 1 98 98 ASP N N 15 120.462 0.3 . 1 . . . . 98 ASP N . 18254 1 157 . 1 1 99 99 VAL H H 1 7.790 0.02 . 1 . . . . 99 VAL H . 18254 1 158 . 1 1 99 99 VAL N N 15 127.415 0.3 . 1 . . . . 99 VAL N . 18254 1 159 . 1 1 100 100 SER H H 1 8.521 0.02 . 1 . . . . 100 SER H . 18254 1 160 . 1 1 100 100 SER N N 15 115.348 0.3 . 1 . . . . 100 SER N . 18254 1 161 . 1 1 101 101 LYS H H 1 7.420 0.02 . 1 . . . . 101 LYS H . 18254 1 162 . 1 1 101 101 LYS N N 15 119.803 0.3 . 1 . . . . 101 LYS N . 18254 1 163 . 1 1 102 102 LEU H H 1 7.883 0.02 . 1 . . . . 102 LEU H . 18254 1 164 . 1 1 102 102 LEU N N 15 118.090 0.3 . 1 . . . . 102 LEU N . 18254 1 165 . 1 1 103 103 LYS H H 1 8.679 0.02 . 1 . . . . 103 LYS H . 18254 1 166 . 1 1 103 103 LYS N N 15 120.358 0.3 . 1 . . . . 103 LYS N . 18254 1 167 . 1 1 104 104 GLU H H 1 8.863 0.02 . 1 . . . . 104 GLU H . 18254 1 168 . 1 1 104 104 GLU N N 15 124.944 0.3 . 1 . . . . 104 GLU N . 18254 1 169 . 1 1 105 105 GLY H H 1 8.942 0.02 . 1 . . . . 105 GLY H . 18254 1 170 . 1 1 105 105 GLY N N 15 112.805 0.3 . 1 . . . . 105 GLY N . 18254 1 171 . 1 1 106 106 GLU H H 1 7.091 0.02 . 1 . . . . 106 GLU H . 18254 1 172 . 1 1 106 106 GLU N N 15 120.448 0.3 . 1 . . . . 106 GLU N . 18254 1 173 . 1 1 107 107 GLN H H 1 9.285 0.02 . 1 . . . . 107 GLN H . 18254 1 174 . 1 1 107 107 GLN N N 15 124.826 0.3 . 1 . . . . 107 GLN N . 18254 1 175 . 1 1 108 108 TYR H H 1 8.468 0.02 . 1 . . . . 108 TYR H . 18254 1 176 . 1 1 108 108 TYR N N 15 123.330 0.3 . 1 . . . . 108 TYR N . 18254 1 177 . 1 1 109 109 MET H H 1 8.972 0.02 . 1 . . . . 109 MET H . 18254 1 178 . 1 1 109 109 MET N N 15 120.262 0.3 . 1 . . . . 109 MET N . 18254 1 179 . 1 1 110 110 PHE H H 1 8.432 0.02 . 1 . . . . 110 PHE H . 18254 1 180 . 1 1 110 110 PHE N N 15 116.659 0.3 . 1 . . . . 110 PHE N . 18254 1 181 . 1 1 111 111 PHE H H 1 7.996 0.02 . 1 . . . . 111 PHE H . 18254 1 182 . 1 1 111 111 PHE N N 15 114.350 0.3 . 1 . . . . 111 PHE N . 18254 1 183 . 1 1 112 112 CYS H H 1 7.451 0.02 . 1 . . . . 112 CYS H . 18254 1 184 . 1 1 112 112 CYS N N 15 118.086 0.3 . 1 . . . . 112 CYS N . 18254 1 185 . 1 1 113 113 THR H H 1 9.730 0.02 . 1 . . . . 113 THR H . 18254 1 186 . 1 1 113 113 THR N N 15 116.172 0.3 . 1 . . . . 113 THR N . 18254 1 187 . 1 1 114 114 PHE H H 1 7.741 0.02 . 1 . . . . 114 PHE H . 18254 1 188 . 1 1 114 114 PHE N N 15 125.771 0.3 . 1 . . . . 114 PHE N . 18254 1 189 . 1 1 116 116 GLY H H 1 8.316 0.02 . 1 . . . . 116 GLY H . 18254 1 190 . 1 1 116 116 GLY N N 15 111.478 0.3 . 1 . . . . 116 GLY N . 18254 1 191 . 1 1 117 117 HIS H H 1 8.720 0.02 . 1 . . . . 117 HIS H . 18254 1 192 . 1 1 117 117 HIS N N 15 118.524 0.3 . 1 . . . . 117 HIS N . 18254 1 193 . 1 1 118 118 SER H H 1 8.224 0.02 . 1 . . . . 118 SER H . 18254 1 194 . 1 1 118 118 SER N N 15 117.247 0.3 . 1 . . . . 118 SER N . 18254 1 195 . 1 1 119 119 ALA H H 1 7.534 0.02 . 1 . . . . 119 ALA H . 18254 1 196 . 1 1 119 119 ALA N N 15 120.387 0.3 . 1 . . . . 119 ALA N . 18254 1 197 . 1 1 120 120 LEU H H 1 7.092 0.02 . 1 . . . . 120 LEU H . 18254 1 198 . 1 1 120 120 LEU N N 15 114.652 0.3 . 1 . . . . 120 LEU N . 18254 1 199 . 1 1 121 121 MET H H 1 8.078 0.02 . 1 . . . . 121 MET H . 18254 1 200 . 1 1 121 121 MET N N 15 121.430 0.3 . 1 . . . . 121 MET N . 18254 1 201 . 1 1 122 122 LYS H H 1 7.158 0.02 . 1 . . . . 122 LYS H . 18254 1 202 . 1 1 122 122 LYS N N 15 115.685 0.3 . 1 . . . . 122 LYS N . 18254 1 203 . 1 1 123 123 GLY H H 1 8.251 0.02 . 1 . . . . 123 GLY H . 18254 1 204 . 1 1 123 123 GLY N N 15 110.069 0.3 . 1 . . . . 123 GLY N . 18254 1 205 . 1 1 124 124 THR H H 1 7.791 0.02 . 1 . . . . 124 THR H . 18254 1 206 . 1 1 124 124 THR N N 15 109.207 0.3 . 1 . . . . 124 THR N . 18254 1 207 . 1 1 125 125 LEU H H 1 7.929 0.02 . 1 . . . . 125 LEU H . 18254 1 208 . 1 1 125 125 LEU N N 15 124.625 0.3 . 1 . . . . 125 LEU N . 18254 1 209 . 1 1 126 126 THR H H 1 8.335 0.02 . 1 . . . . 126 THR H . 18254 1 210 . 1 1 126 126 THR N N 15 120.419 0.3 . 1 . . . . 126 THR N . 18254 1 211 . 1 1 127 127 LEU H H 1 8.712 0.02 . 1 . . . . 127 LEU H . 18254 1 212 . 1 1 127 127 LEU N N 15 127.412 0.3 . 1 . . . . 127 LEU N . 18254 1 213 . 1 1 128 128 LYS H H 1 8.494 0.02 . 1 . . . . 128 LYS H . 18254 1 214 . 1 1 128 128 LYS N N 15 130.516 0.3 . 1 . . . . 128 LYS N . 18254 1 stop_ save_