################################### # 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 53502 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'MLLT3 YEATS domain (K63EK67E double mutant)' _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' . . . 53502 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 . . 53502 1 2 $software_2 . . 53502 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 8.432 . . . . . . . . 5 ALA H . 53502 1 2 . 1 . 1 5 5 ALA N N 15 124.413 . . . . . . . . 5 ALA N . 53502 1 3 . 1 . 1 6 6 ALA H H 1 8.011 . . . . . . . . 6 ALA H . 53502 1 4 . 1 . 1 6 6 ALA N N 15 125.607 . . . . . . . . 6 ALA N . 53502 1 5 . 1 . 1 7 7 VAL H H 1 8.358 . . . . . . . . 7 VAL H . 53502 1 6 . 1 . 1 7 7 VAL N N 15 120.37 . . . . . . . . 7 VAL N . 53502 1 7 . 1 . 1 8 8 GLN H H 1 8.677 . . . . . . . . 8 GLN H . 53502 1 8 . 1 . 1 8 8 GLN N N 15 126.575 . . . . . . . . 8 GLN N . 53502 1 9 . 1 . 1 9 9 VAL H H 1 8.603 . . . . . . . . 9 VAL H . 53502 1 10 . 1 . 1 9 9 VAL N N 15 118.783 . . . . . . . . 9 VAL N . 53502 1 11 . 1 . 1 10 10 LYS H H 1 8.22 . . . . . . . . 10 LYS H . 53502 1 12 . 1 . 1 10 10 LYS N N 15 120.502 . . . . . . . . 10 LYS N . 53502 1 13 . 1 . 1 11 11 LEU H H 1 8.81 . . . . . . . . 11 LEU H . 53502 1 14 . 1 . 1 11 11 LEU N N 15 118.734 . . . . . . . . 11 LEU N . 53502 1 15 . 1 . 1 12 12 GLU H H 1 9.155 . . . . . . . . 12 GLU H . 53502 1 16 . 1 . 1 12 12 GLU N N 15 121.065 . . . . . . . . 12 GLU N . 53502 1 17 . 1 . 1 13 13 LEU H H 1 8.854 . . . . . . . . 13 LEU H . 53502 1 18 . 1 . 1 13 13 LEU N N 15 124.468 . . . . . . . . 13 LEU N . 53502 1 19 . 1 . 1 14 14 GLY H H 1 7.184 . . . . . . . . 14 GLY H . 53502 1 20 . 1 . 1 14 14 GLY N N 15 108.028 . . . . . . . . 14 GLY N . 53502 1 21 . 1 . 1 15 15 HIS H H 1 8.069 . . . . . . . . 15 HIS H . 53502 1 22 . 1 . 1 15 15 HIS N N 15 111.232 . . . . . . . . 15 HIS N . 53502 1 23 . 1 . 1 16 16 ARG H H 1 8.908 . . . . . . . . 16 ARG H . 53502 1 24 . 1 . 1 16 16 ARG N N 15 117.768 . . . . . . . . 16 ARG N . 53502 1 25 . 1 . 1 17 17 ALA H H 1 8.04 . . . . . . . . 17 ALA H . 53502 1 26 . 1 . 1 17 17 ALA N N 15 120.646 . . . . . . . . 17 ALA N . 53502 1 27 . 1 . 1 20 20 ARG H H 1 8.668 . . . . . . . . 20 ARG H . 53502 1 28 . 1 . 1 20 20 ARG N N 15 127.459 . . . . . . . . 20 ARG N . 53502 1 29 . 1 . 1 22 22 LYS H H 1 7.719 . . . . . . . . 22 LYS H . 53502 1 30 . 1 . 1 22 22 LYS N N 15 115.79 . . . . . . . . 22 LYS N . 53502 1 31 . 1 . 1 24 24 THR H H 1 8.247 . . . . . . . . 24 THR H . 53502 1 32 . 1 . 1 24 24 THR N N 15 111.217 . . . . . . . . 24 THR N . 53502 1 33 . 1 . 1 25 25 VAL H H 1 8.927 . . . . . . . . 25 VAL H . 53502 1 34 . 1 . 1 25 25 VAL N N 15 120.826 . . . . . . . . 25 VAL N . 53502 1 35 . 1 . 1 26 26 GLU H H 1 8.005 . . . . . . . . 26 GLU H . 53502 1 36 . 1 . 1 26 26 GLU N N 15 117.099 . . . . . . . . 26 GLU N . 53502 1 37 . 1 . 1 27 27 GLY H H 1 7.882 . . . . . . . . 27 GLY H . 53502 1 38 . 1 . 1 27 27 GLY N N 15 105.821 . . . . . . . . 27 GLY N . 53502 1 39 . 1 . 1 28 28 PHE H H 1 7.723 . . . . . . . . 28 PHE H . 53502 1 40 . 1 . 1 28 28 PHE N N 15 118.909 . . . . . . . . 28 PHE N . 53502 1 41 . 1 . 1 29 29 THR H H 1 7.793 . . . . . . . . 29 THR H . 53502 1 42 . 1 . 1 29 29 THR N N 15 112.581 . . . . . . . . 29 THR N . 53502 1 43 . 1 . 1 31 31 ASP H H 1 8.821 . . . . . . . . 31 ASP H . 53502 1 44 . 1 . 1 31 31 ASP N N 15 120.643 . . . . . . . . 31 ASP N . 53502 1 45 . 1 . 1 32 32 TRP H H 1 9.177 . . . . . . . . 32 TRP H . 53502 1 46 . 1 . 1 32 32 TRP N N 15 119.596 . . . . . . . . 32 TRP N . 53502 1 47 . 1 . 1 33 33 MET H H 1 9.044 . . . . . . . . 33 MET H . 53502 1 48 . 1 . 1 33 33 MET N N 15 120.726 . . . . . . . . 33 MET N . 53502 1 49 . 1 . 1 34 34 VAL H H 1 9.023 . . . . . . . . 34 VAL H . 53502 1 50 . 1 . 1 34 34 VAL N N 15 126.063 . . . . . . . . 34 VAL N . 53502 1 51 . 1 . 1 35 35 PHE H H 1 8.368 . . . . . . . . 35 PHE H . 53502 1 52 . 1 . 1 35 35 PHE N N 15 120.352 . . . . . . . . 35 PHE N . 53502 1 53 . 1 . 1 36 36 VAL H H 1 8.524 . . . . . . . . 36 VAL H . 53502 1 54 . 1 . 1 36 36 VAL N N 15 116.642 . . . . . . . . 36 VAL N . 53502 1 55 . 1 . 1 37 37 ARG H H 1 9.812 . . . . . . . . 37 ARG H . 53502 1 56 . 1 . 1 37 37 ARG N N 15 124.085 . . . . . . . . 37 ARG N . 53502 1 57 . 1 . 1 38 38 GLY H H 1 8.793 . . . . . . . . 38 GLY H . 53502 1 58 . 1 . 1 38 38 GLY N N 15 107.833 . . . . . . . . 38 GLY N . 53502 1 59 . 1 . 1 40 40 GLU H H 1 8.918 . . . . . . . . 40 GLU H . 53502 1 60 . 1 . 1 40 40 GLU N N 15 121.601 . . . . . . . . 40 GLU N . 53502 1 61 . 1 . 1 41 41 HIS H H 1 8.457 . . . . . . . . 41 HIS H . 53502 1 62 . 1 . 1 41 41 HIS N N 15 114.612 . . . . . . . . 41 HIS N . 53502 1 63 . 1 . 1 42 42 SER H H 1 7.945 . . . . . . . . 42 SER H . 53502 1 64 . 1 . 1 42 42 SER N N 15 115.814 . . . . . . . . 42 SER N . 53502 1 65 . 1 . 1 44 44 ILE H H 1 8.15 . . . . . . . . 44 ILE H . 53502 1 66 . 1 . 1 44 44 ILE N N 15 115.449 . . . . . . . . 44 ILE N . 53502 1 67 . 1 . 1 45 45 GLN H H 1 8.818 . . . . . . . . 45 GLN H . 53502 1 68 . 1 . 1 45 45 GLN N N 15 123.394 . . . . . . . . 45 GLN N . 53502 1 69 . 1 . 1 46 46 HIS H H 1 6.994 . . . . . . . . 46 HIS H . 53502 1 70 . 1 . 1 46 46 HIS N N 15 113.564 . . . . . . . . 46 HIS N . 53502 1 71 . 1 . 1 47 47 PHE H H 1 7.707 . . . . . . . . 47 PHE H . 53502 1 72 . 1 . 1 47 47 PHE N N 15 109.774 . . . . . . . . 47 PHE N . 53502 1 73 . 1 . 1 48 48 VAL H H 1 7.702 . . . . . . . . 48 VAL H . 53502 1 74 . 1 . 1 48 48 VAL N N 15 127.845 . . . . . . . . 48 VAL N . 53502 1 75 . 1 . 1 49 49 GLU H H 1 9.298 . . . . . . . . 49 GLU H . 53502 1 76 . 1 . 1 49 49 GLU N N 15 130.936 . . . . . . . . 49 GLU N . 53502 1 77 . 1 . 1 50 50 LYS H H 1 7.08 . . . . . . . . 50 LYS H . 53502 1 78 . 1 . 1 50 50 LYS N N 15 108.98 . . . . . . . . 50 LYS N . 53502 1 79 . 1 . 1 51 51 VAL H H 1 8.396 . . . . . . . . 51 VAL H . 53502 1 80 . 1 . 1 51 51 VAL N N 15 120.988 . . . . . . . . 51 VAL N . 53502 1 81 . 1 . 1 52 52 VAL H H 1 9.177 . . . . . . . . 52 VAL H . 53502 1 82 . 1 . 1 52 52 VAL N N 15 126.697 . . . . . . . . 52 VAL N . 53502 1 83 . 1 . 1 53 53 PHE H H 1 9.228 . . . . . . . . 53 PHE H . 53502 1 84 . 1 . 1 53 53 PHE N N 15 125.924 . . . . . . . . 53 PHE N . 53502 1 85 . 1 . 1 54 54 HIS H H 1 8.703 . . . . . . . . 54 HIS H . 53502 1 86 . 1 . 1 54 54 HIS N N 15 123.705 . . . . . . . . 54 HIS N . 53502 1 87 . 1 . 1 55 55 LEU H H 1 9.137 . . . . . . . . 55 LEU H . 53502 1 88 . 1 . 1 55 55 LEU N N 15 122.233 . . . . . . . . 55 LEU N . 53502 1 89 . 1 . 1 56 56 HIS H H 1 5.191 . . . . . . . . 56 HIS H . 53502 1 90 . 1 . 1 56 56 HIS N N 15 118.419 . . . . . . . . 56 HIS N . 53502 1 91 . 1 . 1 57 57 GLU H H 1 8.015 . . . . . . . . 57 GLU H . 53502 1 92 . 1 . 1 57 57 GLU N N 15 122.012 . . . . . . . . 57 GLU N . 53502 1 93 . 1 . 1 58 58 SER H H 1 8.661 . . . . . . . . 58 SER H . 53502 1 94 . 1 . 1 58 58 SER N N 15 117.645 . . . . . . . . 58 SER N . 53502 1 95 . 1 . 1 59 59 PHE H H 1 8.669 . . . . . . . . 59 PHE H . 53502 1 96 . 1 . 1 59 59 PHE N N 15 123.641 . . . . . . . . 59 PHE N . 53502 1 97 . 1 . 1 61 61 ARG H H 1 8.769 . . . . . . . . 61 ARG H . 53502 1 98 . 1 . 1 61 61 ARG N N 15 117.014 . . . . . . . . 61 ARG N . 53502 1 99 . 1 . 1 63 63 GLU H H 1 7.781 . . . . . . . . 63 GLU H . 53502 1 100 . 1 . 1 63 63 GLU N N 15 118.233 . . . . . . . . 63 GLU N . 53502 1 101 . 1 . 1 64 64 ARG H H 1 8.71 . . . . . . . . 64 ARG H . 53502 1 102 . 1 . 1 64 64 ARG N N 15 126.635 . . . . . . . . 64 ARG N . 53502 1 103 . 1 . 1 65 65 VAL H H 1 8.711 . . . . . . . . 65 VAL H . 53502 1 104 . 1 . 1 65 65 VAL N N 15 124.521 . . . . . . . . 65 VAL N . 53502 1 105 . 1 . 1 66 66 CYS H H 1 9.352 . . . . . . . . 66 CYS H . 53502 1 106 . 1 . 1 66 66 CYS N N 15 126.665 . . . . . . . . 66 CYS N . 53502 1 107 . 1 . 1 67 67 GLU H H 1 9.135 . . . . . . . . 67 GLU H . 53502 1 108 . 1 . 1 67 67 GLU N N 15 125.022 . . . . . . . . 67 GLU N . 53502 1 109 . 1 . 1 68 68 ASP H H 1 7.589 . . . . . . . . 68 ASP H . 53502 1 110 . 1 . 1 68 68 ASP N N 15 116.852 . . . . . . . . 68 ASP N . 53502 1 111 . 1 . 1 71 71 TYR H H 1 8.886 . . . . . . . . 71 TYR H . 53502 1 112 . 1 . 1 71 71 TYR N N 15 125.341 . . . . . . . . 71 TYR N . 53502 1 113 . 1 . 1 72 72 LYS H H 1 7.635 . . . . . . . . 72 LYS H . 53502 1 114 . 1 . 1 72 72 LYS N N 15 121.401 . . . . . . . . 72 LYS N . 53502 1 115 . 1 . 1 73 73 VAL H H 1 8.115 . . . . . . . . 73 VAL H . 53502 1 116 . 1 . 1 73 73 VAL N N 15 119.296 . . . . . . . . 73 VAL N . 53502 1 117 . 1 . 1 74 74 GLU H H 1 8.211 . . . . . . . . 74 GLU H . 53502 1 118 . 1 . 1 74 74 GLU N N 15 126.178 . . . . . . . . 74 GLU N . 53502 1 119 . 1 . 1 75 75 GLU H H 1 7.635 . . . . . . . . 75 GLU H . 53502 1 120 . 1 . 1 75 75 GLU N N 15 125.821 . . . . . . . . 75 GLU N . 53502 1 121 . 1 . 1 77 77 GLY H H 1 8.761 . . . . . . . . 77 GLY H . 53502 1 122 . 1 . 1 77 77 GLY N N 15 105.51 . . . . . . . . 77 GLY N . 53502 1 123 . 1 . 1 78 78 TYR H H 1 8.764 . . . . . . . . 78 TYR H . 53502 1 124 . 1 . 1 78 78 TYR N N 15 112.711 . . . . . . . . 78 TYR N . 53502 1 125 . 1 . 1 79 79 ALA H H 1 7.16 . . . . . . . . 79 ALA H . 53502 1 126 . 1 . 1 79 79 ALA N N 15 122.121 . . . . . . . . 79 ALA N . 53502 1 127 . 1 . 1 80 80 GLY H H 1 8.274 . . . . . . . . 80 GLY H . 53502 1 128 . 1 . 1 80 80 GLY N N 15 107.481 . . . . . . . . 80 GLY N . 53502 1 129 . 1 . 1 82 82 ILE H H 1 8.243 . . . . . . . . 82 ILE H . 53502 1 130 . 1 . 1 82 82 ILE N N 15 117.907 . . . . . . . . 82 ILE N . 53502 1 131 . 1 . 1 83 83 LEU H H 1 9.748 . . . . . . . . 83 LEU H . 53502 1 132 . 1 . 1 83 83 LEU N N 15 104.44 . . . . . . . . 83 LEU N . 53502 1 133 . 1 . 1 85 85 ILE H H 1 9.362 . . . . . . . . 85 ILE H . 53502 1 134 . 1 . 1 85 85 ILE N N 15 126.372 . . . . . . . . 85 ILE N . 53502 1 135 . 1 . 1 86 86 GLU H H 1 9.253 . . . . . . . . 86 GLU H . 53502 1 136 . 1 . 1 86 86 GLU N N 15 123.922 . . . . . . . . 86 GLU N . 53502 1 137 . 1 . 1 87 87 VAL H H 1 8.572 . . . . . . . . 87 VAL H . 53502 1 138 . 1 . 1 87 87 VAL N N 15 123.918 . . . . . . . . 87 VAL N . 53502 1 139 . 1 . 1 88 88 TYR H H 1 8.608 . . . . . . . . 88 TYR H . 53502 1 140 . 1 . 1 88 88 TYR N N 15 124.524 . . . . . . . . 88 TYR N . 53502 1 141 . 1 . 1 89 89 PHE H H 1 8.636 . . . . . . . . 89 PHE H . 53502 1 142 . 1 . 1 89 89 PHE N N 15 120.837 . . . . . . . . 89 PHE N . 53502 1 143 . 1 . 1 90 90 LYS H H 1 8.604 . . . . . . . . 90 LYS H . 53502 1 144 . 1 . 1 90 90 LYS N N 15 123.715 . . . . . . . . 90 LYS N . 53502 1 145 . 1 . 1 93 93 GLU H H 1 6.986 . . . . . . . . 93 GLU H . 53502 1 146 . 1 . 1 93 93 GLU N N 15 117.974 . . . . . . . . 93 GLU N . 53502 1 147 . 1 . 1 94 94 GLU H H 1 8.01 . . . . . . . . 94 GLU H . 53502 1 148 . 1 . 1 94 94 GLU N N 15 115.35 . . . . . . . . 94 GLU N . 53502 1 149 . 1 . 1 96 96 ARG H H 1 8.506 . . . . . . . . 96 ARG H . 53502 1 150 . 1 . 1 96 96 ARG N N 15 122.258 . . . . . . . . 96 ARG N . 53502 1 151 . 1 . 1 97 97 LYS H H 1 7.511 . . . . . . . . 97 LYS H . 53502 1 152 . 1 . 1 97 97 LYS N N 15 113.23 . . . . . . . . 97 LYS N . 53502 1 153 . 1 . 1 98 98 VAL H H 1 7.936 . . . . . . . . 98 VAL H . 53502 1 154 . 1 . 1 98 98 VAL N N 15 116.358 . . . . . . . . 98 VAL N . 53502 1 155 . 1 . 1 99 99 ARG H H 1 7.814 . . . . . . . . 99 ARG H . 53502 1 156 . 1 . 1 99 99 ARG N N 15 125.089 . . . . . . . . 99 ARG N . 53502 1 157 . 1 . 1 100 100 PHE H H 1 9.3 . . . . . . . . 100 PHE H . 53502 1 158 . 1 . 1 100 100 PHE N N 15 124.23 . . . . . . . . 100 PHE N . 53502 1 159 . 1 . 1 101 101 ASP H H 1 8.943 . . . . . . . . 101 ASP H . 53502 1 160 . 1 . 1 101 101 ASP N N 15 124.413 . . . . . . . . 101 ASP N . 53502 1 161 . 1 . 1 102 102 TYR H H 1 8.256 . . . . . . . . 102 TYR H . 53502 1 162 . 1 . 1 102 102 TYR N N 15 129.688 . . . . . . . . 102 TYR N . 53502 1 163 . 1 . 1 103 103 ASP H H 1 7.662 . . . . . . . . 103 ASP H . 53502 1 164 . 1 . 1 103 103 ASP N N 15 127.682 . . . . . . . . 103 ASP N . 53502 1 165 . 1 . 1 104 104 LEU H H 1 7.448 . . . . . . . . 104 LEU H . 53502 1 166 . 1 . 1 104 104 LEU N N 15 130.913 . . . . . . . . 104 LEU N . 53502 1 167 . 1 . 1 105 105 PHE H H 1 5.943 . . . . . . . . 105 PHE H . 53502 1 168 . 1 . 1 105 105 PHE N N 15 120.696 . . . . . . . . 105 PHE N . 53502 1 169 . 1 . 1 106 106 LEU H H 1 8.422 . . . . . . . . 106 LEU H . 53502 1 170 . 1 . 1 106 106 LEU N N 15 118.791 . . . . . . . . 106 LEU N . 53502 1 171 . 1 . 1 109 109 GLU H H 1 8.766 . . . . . . . . 109 GLU H . 53502 1 172 . 1 . 1 109 109 GLU N N 15 120.79 . . . . . . . . 109 GLU N . 53502 1 173 . 1 . 1 111 111 HIS H H 1 7.997 . . . . . . . . 111 HIS H . 53502 1 174 . 1 . 1 111 111 HIS N N 15 120.221 . . . . . . . . 111 HIS N . 53502 1 175 . 1 . 1 114 114 VAL H H 1 8.791 . . . . . . . . 114 VAL H . 53502 1 176 . 1 . 1 114 114 VAL N N 15 126.127 . . . . . . . . 114 VAL N . 53502 1 177 . 1 . 1 116 116 HIS H H 1 8.778 . . . . . . . . 116 HIS H . 53502 1 178 . 1 . 1 116 116 HIS N N 15 125.376 . . . . . . . . 116 HIS N . 53502 1 179 . 1 . 1 117 117 LEU H H 1 7.428 . . . . . . . . 117 LEU H . 53502 1 180 . 1 . 1 117 117 LEU N N 15 128.102 . . . . . . . . 117 LEU N . 53502 1 181 . 1 . 1 118 118 ARG H H 1 9.762 . . . . . . . . 118 ARG H . 53502 1 182 . 1 . 1 118 118 ARG N N 15 128.113 . . . . . . . . 118 ARG N . 53502 1 183 . 1 . 1 119 119 CYS H H 1 8.75 . . . . . . . . 119 CYS H . 53502 1 184 . 1 . 1 119 119 CYS N N 15 125.446 . . . . . . . . 119 CYS N . 53502 1 185 . 1 . 1 120 120 GLU H H 1 8.923 . . . . . . . . 120 GLU H . 53502 1 186 . 1 . 1 120 120 GLU N N 15 125.903 . . . . . . . . 120 GLU N . 53502 1 187 . 1 . 1 121 121 LYS H H 1 8.637 . . . . . . . . 121 LYS H . 53502 1 188 . 1 . 1 121 121 LYS N N 15 121.77 . . . . . . . . 121 LYS N . 53502 1 189 . 1 . 1 122 122 LEU H H 1 9.177 . . . . . . . . 122 LEU H . 53502 1 190 . 1 . 1 122 122 LEU N N 15 126.697 . . . . . . . . 122 LEU N . 53502 1 191 . 1 . 1 123 123 THR H H 1 8.116 . . . . . . . . 123 THR H . 53502 1 192 . 1 . 1 123 123 THR N N 15 118.237 . . . . . . . . 123 THR N . 53502 1 193 . 1 . 1 124 124 PHE H H 1 9.049 . . . . . . . . 124 PHE H . 53502 1 194 . 1 . 1 124 124 PHE N N 15 126.67 . . . . . . . . 124 PHE N . 53502 1 195 . 1 . 1 125 125 ASN H H 1 9.023 . . . . . . . . 125 ASN H . 53502 1 196 . 1 . 1 125 125 ASN N N 15 123.467 . . . . . . . . 125 ASN N . 53502 1 197 . 1 . 1 128 128 THR H H 1 8.919 . . . . . . . . 128 THR H . 53502 1 198 . 1 . 1 128 128 THR N N 15 113.364 . . . . . . . . 128 THR N . 53502 1 199 . 1 . 1 129 129 GLU H H 1 8.831 . . . . . . . . 129 GLU H . 53502 1 200 . 1 . 1 129 129 GLU N N 15 122.194 . . . . . . . . 129 GLU N . 53502 1 201 . 1 . 1 130 130 ASP H H 1 8.505 . . . . . . . . 130 ASP H . 53502 1 202 . 1 . 1 130 130 ASP N N 15 116.322 . . . . . . . . 130 ASP N . 53502 1 203 . 1 . 1 131 131 PHE H H 1 7.744 . . . . . . . . 131 PHE H . 53502 1 204 . 1 . 1 131 131 PHE N N 15 120.254 . . . . . . . . 131 PHE N . 53502 1 205 . 1 . 1 132 132 ARG H H 1 9.139 . . . . . . . . 132 ARG H . 53502 1 206 . 1 . 1 132 132 ARG N N 15 120.096 . . . . . . . . 132 ARG N . 53502 1 207 . 1 . 1 133 133 ARG H H 1 7.703 . . . . . . . . 133 ARG H . 53502 1 208 . 1 . 1 133 133 ARG N N 15 115.162 . . . . . . . . 133 ARG N . 53502 1 209 . 1 . 1 134 134 LYS H H 1 7.248 . . . . . . . . 134 LYS H . 53502 1 210 . 1 . 1 134 134 LYS N N 15 118.785 . . . . . . . . 134 LYS N . 53502 1 211 . 1 . 1 135 135 LEU H H 1 7.725 . . . . . . . . 135 LEU H . 53502 1 212 . 1 . 1 135 135 LEU N N 15 117.079 . . . . . . . . 135 LEU N . 53502 1 213 . 1 . 1 136 136 LEU H H 1 7.415 . . . . . . . . 136 LEU H . 53502 1 214 . 1 . 1 136 136 LEU N N 15 113.621 . . . . . . . . 136 LEU N . 53502 1 215 . 1 . 1 137 137 LYS H H 1 7.115 . . . . . . . . 137 LYS H . 53502 1 216 . 1 . 1 137 137 LYS N N 15 119.738 . . . . . . . . 137 LYS N . 53502 1 217 . 1 . 1 138 138 ALA H H 1 7.428 . . . . . . . . 138 ALA H . 53502 1 218 . 1 . 1 138 138 ALA N N 15 128.102 . . . . . . . . 138 ALA N . 53502 1 stop_ save_