################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 53501 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'MLLT3 YEATS domain' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 53501 1 2 '3D HNCACB' . . . 53501 1 3 '3D HNCACO' . . . 53501 1 4 '3D CBCA(CO)NH' . . . 53501 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 $software_1 . . 53501 1 2 $software_2 . . 53501 1 3 $software_3 . . 53501 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 5 5 ALA H H 1 8.43 . . . . . . . . 5 ALA H . 53501 1 2 . 1 . 1 5 5 ALA N N 15 124.398 . . . . . . . . 5 ALA N . 53501 1 3 . 1 . 1 6 6 ALA H H 1 7.892 . . . . . . . . 6 ALA H . 53501 1 4 . 1 . 1 6 6 ALA N N 15 125.812 . . . . . . . . 6 ALA N . 53501 1 5 . 1 . 1 7 7 VAL H H 1 8.394 . . . . . . . . 7 VAL H . 53501 1 6 . 1 . 1 7 7 VAL N N 15 120.594 . . . . . . . . 7 VAL N . 53501 1 7 . 1 . 1 8 8 GLN H H 1 8.722 . . . . . . . . 8 GLN H . 53501 1 8 . 1 . 1 8 8 GLN N N 15 126.723 . . . . . . . . 8 GLN N . 53501 1 9 . 1 . 1 9 9 VAL H H 1 8.618 . . . . . . . . 9 VAL H . 53501 1 10 . 1 . 1 9 9 VAL N N 15 118.917 . . . . . . . . 9 VAL N . 53501 1 11 . 1 . 1 10 10 LYS H H 1 8.22 . . . . . . . . 10 LYS H . 53501 1 12 . 1 . 1 10 10 LYS N N 15 120.529 . . . . . . . . 10 LYS N . 53501 1 13 . 1 . 1 11 11 LEU H H 1 8.804 . . . . . . . . 11 LEU H . 53501 1 14 . 1 . 1 11 11 LEU N N 15 118.846 . . . . . . . . 11 LEU N . 53501 1 15 . 1 . 1 12 12 GLU H H 1 9.16 . . . . . . . . 12 GLU H . 53501 1 16 . 1 . 1 12 12 GLU N N 15 121.111 . . . . . . . . 12 GLU N . 53501 1 17 . 1 . 1 13 13 LEU H H 1 8.851 . . . . . . . . 13 LEU H . 53501 1 18 . 1 . 1 13 13 LEU N N 15 124.408 . . . . . . . . 13 LEU N . 53501 1 19 . 1 . 1 14 14 GLY H H 1 7.167 . . . . . . . . 14 GLY H . 53501 1 20 . 1 . 1 14 14 GLY N N 15 108.038 . . . . . . . . 14 GLY N . 53501 1 21 . 1 . 1 15 15 HIS H H 1 8.052 . . . . . . . . 15 HIS H . 53501 1 22 . 1 . 1 15 15 HIS N N 15 111.291 . . . . . . . . 15 HIS N . 53501 1 23 . 1 . 1 16 16 ARG H H 1 8.911 . . . . . . . . 16 ARG H . 53501 1 24 . 1 . 1 16 16 ARG N N 15 117.753 . . . . . . . . 16 ARG N . 53501 1 25 . 1 . 1 17 17 ALA H H 1 8.019 . . . . . . . . 17 ALA H . 53501 1 26 . 1 . 1 17 17 ALA N N 15 120.646 . . . . . . . . 17 ALA N . 53501 1 27 . 1 . 1 20 20 ARG H H 1 8.67 . . . . . . . . 20 ARG H . 53501 1 28 . 1 . 1 20 20 ARG N N 15 127.45 . . . . . . . . 20 ARG N . 53501 1 29 . 1 . 1 22 22 LYS H H 1 7.735 . . . . . . . . 22 LYS H . 53501 1 30 . 1 . 1 22 22 LYS N N 15 115.863 . . . . . . . . 22 LYS N . 53501 1 31 . 1 . 1 24 24 THR H H 1 8.245 . . . . . . . . 24 THR H . 53501 1 32 . 1 . 1 24 24 THR N N 15 111.235 . . . . . . . . 24 THR N . 53501 1 33 . 1 . 1 25 25 VAL H H 1 8.927 . . . . . . . . 25 VAL H . 53501 1 34 . 1 . 1 25 25 VAL N N 15 120.866 . . . . . . . . 25 VAL N . 53501 1 35 . 1 . 1 26 26 GLU H H 1 8.011 . . . . . . . . 26 GLU H . 53501 1 36 . 1 . 1 26 26 GLU N N 15 117.116 . . . . . . . . 26 GLU N . 53501 1 37 . 1 . 1 27 27 GLY H H 1 7.878 . . . . . . . . 27 GLY H . 53501 1 38 . 1 . 1 27 27 GLY N N 15 105.834 . . . . . . . . 27 GLY N . 53501 1 39 . 1 . 1 28 28 PHE H H 1 7.688 . . . . . . . . 28 PHE H . 53501 1 40 . 1 . 1 28 28 PHE N N 15 118.938 . . . . . . . . 28 PHE N . 53501 1 41 . 1 . 1 29 29 THR H H 1 7.766 . . . . . . . . 29 THR H . 53501 1 42 . 1 . 1 29 29 THR N N 15 112.61 . . . . . . . . 29 THR N . 53501 1 43 . 1 . 1 31 31 ASP H H 1 8.782 . . . . . . . . 31 ASP H . 53501 1 44 . 1 . 1 31 31 ASP N N 15 120.781 . . . . . . . . 31 ASP N . 53501 1 45 . 1 . 1 32 32 TRP H H 1 9.192 . . . . . . . . 32 TRP H . 53501 1 46 . 1 . 1 32 32 TRP N N 15 119.644 . . . . . . . . 32 TRP N . 53501 1 47 . 1 . 1 33 33 MET H H 1 9.037 . . . . . . . . 33 MET H . 53501 1 48 . 1 . 1 33 33 MET N N 15 120.623 . . . . . . . . 33 MET N . 53501 1 49 . 1 . 1 34 34 VAL H H 1 9.021 . . . . . . . . 34 VAL H . 53501 1 50 . 1 . 1 34 34 VAL N N 15 126.049 . . . . . . . . 34 VAL N . 53501 1 51 . 1 . 1 35 35 PHE H H 1 8.368 . . . . . . . . 35 PHE H . 53501 1 52 . 1 . 1 35 35 PHE N N 15 120.352 . . . . . . . . 35 PHE N . 53501 1 53 . 1 . 1 36 36 VAL H H 1 8.517 . . . . . . . . 36 VAL H . 53501 1 54 . 1 . 1 36 36 VAL N N 15 116.584 . . . . . . . . 36 VAL N . 53501 1 55 . 1 . 1 37 37 ARG H H 1 9.804 . . . . . . . . 37 ARG H . 53501 1 56 . 1 . 1 37 37 ARG N N 15 124.062 . . . . . . . . 37 ARG N . 53501 1 57 . 1 . 1 38 38 GLY H H 1 8.766 . . . . . . . . 38 GLY H . 53501 1 58 . 1 . 1 38 38 GLY N N 15 107.839 . . . . . . . . 38 GLY N . 53501 1 59 . 1 . 1 40 40 GLU H H 1 8.914 . . . . . . . . 40 GLU H . 53501 1 60 . 1 . 1 40 40 GLU N N 15 121.585 . . . . . . . . 40 GLU N . 53501 1 61 . 1 . 1 41 41 HIS H H 1 8.398 . . . . . . . . 41 HIS H . 53501 1 62 . 1 . 1 41 41 HIS N N 15 115.058 . . . . . . . . 41 HIS N . 53501 1 63 . 1 . 1 42 42 SER H H 1 7.966 . . . . . . . . 42 SER H . 53501 1 64 . 1 . 1 42 42 SER N N 15 115.933 . . . . . . . . 42 SER N . 53501 1 65 . 1 . 1 44 44 ILE H H 1 8.177 . . . . . . . . 44 ILE H . 53501 1 66 . 1 . 1 44 44 ILE N N 15 115.458 . . . . . . . . 44 ILE N . 53501 1 67 . 1 . 1 45 45 GLN H H 1 8.794 . . . . . . . . 45 GLN H . 53501 1 68 . 1 . 1 45 45 GLN N N 15 123.393 . . . . . . . . 45 GLN N . 53501 1 69 . 1 . 1 46 46 HIS H H 1 6.995 . . . . . . . . 46 HIS H . 53501 1 70 . 1 . 1 46 46 HIS N N 15 113.736 . . . . . . . . 46 HIS N . 53501 1 71 . 1 . 1 47 47 PHE H H 1 7.704 . . . . . . . . 47 PHE H . 53501 1 72 . 1 . 1 47 47 PHE N N 15 109.732 . . . . . . . . 47 PHE N . 53501 1 73 . 1 . 1 48 48 VAL H H 1 7.69 . . . . . . . . 48 VAL H . 53501 1 74 . 1 . 1 48 48 VAL N N 15 127.831 . . . . . . . . 48 VAL N . 53501 1 75 . 1 . 1 49 49 GLU H H 1 9.336 . . . . . . . . 49 GLU H . 53501 1 76 . 1 . 1 49 49 GLU N N 15 130.966 . . . . . . . . 49 GLU N . 53501 1 77 . 1 . 1 50 50 LYS H H 1 7.1 . . . . . . . . 50 LYS H . 53501 1 78 . 1 . 1 50 50 LYS N N 15 109.048 . . . . . . . . 50 LYS N . 53501 1 79 . 1 . 1 51 51 VAL H H 1 8.387 . . . . . . . . 51 VAL H . 53501 1 80 . 1 . 1 51 51 VAL N N 15 121.01 . . . . . . . . 51 VAL N . 53501 1 81 . 1 . 1 52 52 VAL H H 1 9.197 . . . . . . . . 52 VAL H . 53501 1 82 . 1 . 1 52 52 VAL N N 15 126.783 . . . . . . . . 52 VAL N . 53501 1 83 . 1 . 1 53 53 PHE H H 1 9.226 . . . . . . . . 53 PHE H . 53501 1 84 . 1 . 1 53 53 PHE N N 15 126.181 . . . . . . . . 53 PHE N . 53501 1 85 . 1 . 1 54 54 HIS H H 1 8.691 . . . . . . . . 54 HIS H . 53501 1 86 . 1 . 1 54 54 HIS N N 15 123.946 . . . . . . . . 54 HIS N . 53501 1 87 . 1 . 1 55 55 LEU H H 1 8.983 . . . . . . . . 55 LEU H . 53501 1 88 . 1 . 1 55 55 LEU N N 15 121.96 . . . . . . . . 55 LEU N . 53501 1 89 . 1 . 1 56 56 HIS H H 1 5.219 . . . . . . . . 56 HIS H . 53501 1 90 . 1 . 1 56 56 HIS N N 15 118.339 . . . . . . . . 56 HIS N . 53501 1 91 . 1 . 1 57 57 GLU H H 1 8.031 . . . . . . . . 57 GLU H . 53501 1 92 . 1 . 1 57 57 GLU N N 15 122.157 . . . . . . . . 57 GLU N . 53501 1 93 . 1 . 1 58 58 SER H H 1 8.689 . . . . . . . . 58 SER H . 53501 1 94 . 1 . 1 58 58 SER N N 15 117.61 . . . . . . . . 58 SER N . 53501 1 95 . 1 . 1 59 59 PHE H H 1 8.688 . . . . . . . . 59 PHE H . 53501 1 96 . 1 . 1 59 59 PHE N N 15 123.585 . . . . . . . . 59 PHE N . 53501 1 97 . 1 . 1 61 61 ARG H H 1 8.796 . . . . . . . . 61 ARG H . 53501 1 98 . 1 . 1 61 61 ARG N N 15 116.84 . . . . . . . . 61 ARG N . 53501 1 99 . 1 . 1 63 63 LYS H H 1 7.712 . . . . . . . . 63 LYS H . 53501 1 100 . 1 . 1 63 63 LYS N N 15 118.148 . . . . . . . . 63 LYS N . 53501 1 101 . 1 . 1 64 64 ARG H H 1 8.754 . . . . . . . . 64 ARG H . 53501 1 102 . 1 . 1 64 64 ARG N N 15 126.748 . . . . . . . . 64 ARG N . 53501 1 103 . 1 . 1 65 65 VAL H H 1 8.709 . . . . . . . . 65 VAL H . 53501 1 104 . 1 . 1 65 65 VAL N N 15 124.69 . . . . . . . . 65 VAL N . 53501 1 105 . 1 . 1 66 66 CYS H H 1 9.409 . . . . . . . . 66 CYS H . 53501 1 106 . 1 . 1 66 66 CYS N N 15 127.145 . . . . . . . . 66 CYS N . 53501 1 107 . 1 . 1 67 67 LYS H H 1 8.986 . . . . . . . . 67 LYS H . 53501 1 108 . 1 . 1 67 67 LYS N N 15 125.345 . . . . . . . . 67 LYS N . 53501 1 109 . 1 . 1 68 68 ASP H H 1 7.547 . . . . . . . . 68 ASP H . 53501 1 110 . 1 . 1 68 68 ASP N N 15 117.268 . . . . . . . . 68 ASP N . 53501 1 111 . 1 . 1 71 71 TYR H H 1 8.895 . . . . . . . . 71 TYR H . 53501 1 112 . 1 . 1 71 71 TYR N N 15 125.346 . . . . . . . . 71 TYR N . 53501 1 113 . 1 . 1 72 72 LYS H H 1 7.603 . . . . . . . . 72 LYS H . 53501 1 114 . 1 . 1 72 72 LYS N N 15 121.29 . . . . . . . . 72 LYS N . 53501 1 115 . 1 . 1 73 73 VAL H H 1 8.123 . . . . . . . . 73 VAL H . 53501 1 116 . 1 . 1 73 73 VAL N N 15 119.388 . . . . . . . . 73 VAL N . 53501 1 117 . 1 . 1 74 74 GLU H H 1 8.196 . . . . . . . . 74 GLU H . 53501 1 118 . 1 . 1 74 74 GLU N N 15 126.191 . . . . . . . . 74 GLU N . 53501 1 119 . 1 . 1 75 75 GLU H H 1 7.63 . . . . . . . . 75 GLU H . 53501 1 120 . 1 . 1 75 75 GLU N N 15 125.801 . . . . . . . . 75 GLU N . 53501 1 121 . 1 . 1 77 77 GLY H H 1 8.76 . . . . . . . . 77 GLY H . 53501 1 122 . 1 . 1 77 77 GLY N N 15 105.527 . . . . . . . . 77 GLY N . 53501 1 123 . 1 . 1 78 78 TYR H H 1 8.752 . . . . . . . . 78 TYR H . 53501 1 124 . 1 . 1 78 78 TYR N N 15 112.705 . . . . . . . . 78 TYR N . 53501 1 125 . 1 . 1 79 79 ALA H H 1 7.154 . . . . . . . . 79 ALA H . 53501 1 126 . 1 . 1 79 79 ALA N N 15 122.094 . . . . . . . . 79 ALA N . 53501 1 127 . 1 . 1 80 80 GLY H H 1 8.273 . . . . . . . . 80 GLY H . 53501 1 128 . 1 . 1 80 80 GLY N N 15 107.48 . . . . . . . . 80 GLY N . 53501 1 129 . 1 . 1 82 82 ILE H H 1 8.234 . . . . . . . . 82 ILE H . 53501 1 130 . 1 . 1 82 82 ILE N N 15 117.95 . . . . . . . . 82 ILE N . 53501 1 131 . 1 . 1 83 83 LEU H H 1 9.735 . . . . . . . . 83 LEU H . 53501 1 132 . 1 . 1 83 83 LEU N N 15 104.309 . . . . . . . . 83 LEU N . 53501 1 133 . 1 . 1 85 85 ILE H H 1 9.311 . . . . . . . . 85 ILE H . 53501 1 134 . 1 . 1 85 85 ILE N N 15 125.965 . . . . . . . . 85 ILE N . 53501 1 135 . 1 . 1 86 86 GLU H H 1 9.238 . . . . . . . . 86 GLU H . 53501 1 136 . 1 . 1 86 86 GLU N N 15 123.857 . . . . . . . . 86 GLU N . 53501 1 137 . 1 . 1 87 87 VAL H H 1 8.585 . . . . . . . . 87 VAL H . 53501 1 138 . 1 . 1 87 87 VAL N N 15 124 . . . . . . . . 87 VAL N . 53501 1 139 . 1 . 1 88 88 TYR H H 1 8.601 . . . . . . . . 88 TYR H . 53501 1 140 . 1 . 1 88 88 TYR N N 15 124.358 . . . . . . . . 88 TYR N . 53501 1 141 . 1 . 1 89 89 PHE H H 1 8.636 . . . . . . . . 89 PHE H . 53501 1 142 . 1 . 1 89 89 PHE N N 15 120.828 . . . . . . . . 89 PHE N . 53501 1 143 . 1 . 1 90 90 LYS H H 1 8.607 . . . . . . . . 90 LYS H . 53501 1 144 . 1 . 1 90 90 LYS N N 15 123.859 . . . . . . . . 90 LYS N . 53501 1 145 . 1 . 1 93 93 GLU H H 1 6.991 . . . . . . . . 93 GLU H . 53501 1 146 . 1 . 1 93 93 GLU N N 15 118.01 . . . . . . . . 93 GLU N . 53501 1 147 . 1 . 1 94 94 GLU H H 1 8.018 . . . . . . . . 94 GLU H . 53501 1 148 . 1 . 1 94 94 GLU N N 15 115.315 . . . . . . . . 94 GLU N . 53501 1 149 . 1 . 1 96 96 ARG H H 1 8.495 . . . . . . . . 96 ARG H . 53501 1 150 . 1 . 1 96 96 ARG N N 15 122.066 . . . . . . . . 96 ARG N . 53501 1 151 . 1 . 1 97 97 LYS H H 1 7.535 . . . . . . . . 97 LYS H . 53501 1 152 . 1 . 1 97 97 LYS N N 15 113.506 . . . . . . . . 97 LYS N . 53501 1 153 . 1 . 1 98 98 VAL H H 1 7.925 . . . . . . . . 98 VAL H . 53501 1 154 . 1 . 1 98 98 VAL N N 15 116.342 . . . . . . . . 98 VAL N . 53501 1 155 . 1 . 1 99 99 ARG H H 1 7.82 . . . . . . . . 99 ARG H . 53501 1 156 . 1 . 1 99 99 ARG N N 15 125.187 . . . . . . . . 99 ARG N . 53501 1 157 . 1 . 1 100 100 PHE H H 1 9.297 . . . . . . . . 100 PHE H . 53501 1 158 . 1 . 1 100 100 PHE N N 15 124.524 . . . . . . . . 100 PHE N . 53501 1 159 . 1 . 1 101 101 ASP H H 1 8.921 . . . . . . . . 101 ASP H . 53501 1 160 . 1 . 1 101 101 ASP N N 15 124.355 . . . . . . . . 101 ASP N . 53501 1 161 . 1 . 1 102 102 TYR H H 1 8.281 . . . . . . . . 102 TYR H . 53501 1 162 . 1 . 1 102 102 TYR N N 15 129.74 . . . . . . . . 102 TYR N . 53501 1 163 . 1 . 1 103 103 ASP H H 1 7.651 . . . . . . . . 103 ASP H . 53501 1 164 . 1 . 1 103 103 ASP N N 15 127.646 . . . . . . . . 103 ASP N . 53501 1 165 . 1 . 1 104 104 LEU H H 1 7.449 . . . . . . . . 104 LEU H . 53501 1 166 . 1 . 1 104 104 LEU N N 15 130.989 . . . . . . . . 104 LEU N . 53501 1 167 . 1 . 1 105 105 PHE H H 1 5.942 . . . . . . . . 105 PHE H . 53501 1 168 . 1 . 1 105 105 PHE N N 15 120.705 . . . . . . . . 105 PHE N . 53501 1 169 . 1 . 1 106 106 LEU H H 1 8.414 . . . . . . . . 106 LEU H . 53501 1 170 . 1 . 1 106 106 LEU N N 15 118.797 . . . . . . . . 106 LEU N . 53501 1 171 . 1 . 1 109 109 GLU H H 1 8.782 . . . . . . . . 109 GLU H . 53501 1 172 . 1 . 1 109 109 GLU N N 15 120.781 . . . . . . . . 109 GLU N . 53501 1 173 . 1 . 1 111 111 HIS H H 1 7.968 . . . . . . . . 111 HIS H . 53501 1 174 . 1 . 1 111 111 HIS N N 15 120.564 . . . . . . . . 111 HIS N . 53501 1 175 . 1 . 1 114 114 VAL H H 1 8.807 . . . . . . . . 114 VAL H . 53501 1 176 . 1 . 1 114 114 VAL N N 15 126.136 . . . . . . . . 114 VAL N . 53501 1 177 . 1 . 1 116 116 HIS H H 1 8.766 . . . . . . . . 116 HIS H . 53501 1 178 . 1 . 1 116 116 HIS N N 15 125.315 . . . . . . . . 116 HIS N . 53501 1 179 . 1 . 1 117 117 LEU H H 1 7.38 . . . . . . . . 117 LEU H . 53501 1 180 . 1 . 1 117 117 LEU N N 15 128.138 . . . . . . . . 117 LEU N . 53501 1 181 . 1 . 1 118 118 ARG H H 1 9.777 . . . . . . . . 118 ARG H . 53501 1 182 . 1 . 1 118 118 ARG N N 15 128.255 . . . . . . . . 118 ARG N . 53501 1 183 . 1 . 1 119 119 CYS H H 1 8.73 . . . . . . . . 119 CYS H . 53501 1 184 . 1 . 1 119 119 CYS N N 15 125.381 . . . . . . . . 119 CYS N . 53501 1 185 . 1 . 1 120 120 GLU H H 1 8.909 . . . . . . . . 120 GLU H . 53501 1 186 . 1 . 1 120 120 GLU N N 15 125.808 . . . . . . . . 120 GLU N . 53501 1 187 . 1 . 1 121 121 LYS H H 1 8.629 . . . . . . . . 121 LYS H . 53501 1 188 . 1 . 1 121 121 LYS N N 15 121.723 . . . . . . . . 121 LYS N . 53501 1 189 . 1 . 1 122 122 LEU H H 1 9.197 . . . . . . . . 122 LEU H . 53501 1 190 . 1 . 1 122 122 LEU N N 15 126.783 . . . . . . . . 122 LEU N . 53501 1 191 . 1 . 1 123 123 THR H H 1 8.123 . . . . . . . . 123 THR H . 53501 1 192 . 1 . 1 123 123 THR N N 15 118.232 . . . . . . . . 123 THR N . 53501 1 193 . 1 . 1 124 124 PHE H H 1 9.042 . . . . . . . . 124 PHE H . 53501 1 194 . 1 . 1 124 124 PHE N N 15 126.611 . . . . . . . . 124 PHE N . 53501 1 195 . 1 . 1 125 125 ASN H H 1 9.018 . . . . . . . . 125 ASN H . 53501 1 196 . 1 . 1 125 125 ASN N N 15 123.499 . . . . . . . . 125 ASN N . 53501 1 197 . 1 . 1 128 128 THR H H 1 8.9 . . . . . . . . 128 THR H . 53501 1 198 . 1 . 1 128 128 THR N N 15 113.365 . . . . . . . . 128 THR N . 53501 1 199 . 1 . 1 129 129 GLU H H 1 8.814 . . . . . . . . 129 GLU H . 53501 1 200 . 1 . 1 129 129 GLU N N 15 122.273 . . . . . . . . 129 GLU N . 53501 1 201 . 1 . 1 130 130 ASP H H 1 8.499 . . . . . . . . 130 ASP H . 53501 1 202 . 1 . 1 130 130 ASP N N 15 116.285 . . . . . . . . 130 ASP N . 53501 1 203 . 1 . 1 131 131 PHE H H 1 7.727 . . . . . . . . 131 PHE H . 53501 1 204 . 1 . 1 131 131 PHE N N 15 120.201 . . . . . . . . 131 PHE N . 53501 1 205 . 1 . 1 132 132 ARG H H 1 9.136 . . . . . . . . 132 ARG H . 53501 1 206 . 1 . 1 132 132 ARG N N 15 120.095 . . . . . . . . 132 ARG N . 53501 1 207 . 1 . 1 133 133 ARG H H 1 7.727 . . . . . . . . 133 ARG H . 53501 1 208 . 1 . 1 133 133 ARG N N 15 115.102 . . . . . . . . 133 ARG N . 53501 1 209 . 1 . 1 134 134 LYS H H 1 7.253 . . . . . . . . 134 LYS H . 53501 1 210 . 1 . 1 134 134 LYS N N 15 118.758 . . . . . . . . 134 LYS N . 53501 1 211 . 1 . 1 135 135 LEU H H 1 7.721 . . . . . . . . 135 LEU H . 53501 1 212 . 1 . 1 135 135 LEU N N 15 117.148 . . . . . . . . 135 LEU N . 53501 1 213 . 1 . 1 136 136 LEU H H 1 7.417 . . . . . . . . 136 LEU H . 53501 1 214 . 1 . 1 136 136 LEU N N 15 113.632 . . . . . . . . 136 LEU N . 53501 1 215 . 1 . 1 137 137 LYS H H 1 7.11 . . . . . . . . 137 LYS H . 53501 1 216 . 1 . 1 137 137 LYS N N 15 119.788 . . . . . . . . 137 LYS N . 53501 1 217 . 1 . 1 138 138 ALA H H 1 7.38 . . . . . . . . 138 ALA H . 53501 1 218 . 1 . 1 138 138 ALA N N 15 128.138 . . . . . . . . 138 ALA N . 53501 1 stop_ save_