################################### # 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 51374 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name default _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' . . . 51374 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 . . 51374 1 2 $software_2 . . 51374 1 3 $software_3 . . 51374 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 7 7 TYR H H 1 6.256 . . . . . . . . 14 Y H . 51374 1 2 . 1 . 1 7 7 TYR N N 15 113.741 . . . . . . . . 14 Y N . 51374 1 3 . 1 . 1 8 8 PHE H H 1 6.853 . . . . . . . . 15 F H . 51374 1 4 . 1 . 1 8 8 PHE N N 15 120.598 . . . . . . . . 15 F N . 51374 1 5 . 1 . 1 9 9 PHE H H 1 8.857 . . . . . . . . 16 F H . 51374 1 6 . 1 . 1 9 9 PHE N N 15 124.719 . . . . . . . . 16 F N . 51374 1 7 . 1 . 1 15 15 GLU H H 1 8.624 . . . . . . . . 22 E H . 51374 1 8 . 1 . 1 15 15 GLU N N 15 118.826 . . . . . . . . 22 E N . 51374 1 9 . 1 . 1 18 18 GLU H H 1 8.215 . . . . . . . . 25 E H . 51374 1 10 . 1 . 1 18 18 GLU N N 15 116.986 . . . . . . . . 25 E N . 51374 1 11 . 1 . 1 21 21 LEU H H 1 7.496 . . . . . . . . 28 L H . 51374 1 12 . 1 . 1 21 21 LEU N N 15 117.478 . . . . . . . . 28 L N . 51374 1 13 . 1 . 1 22 22 VAL H H 1 7.824 . . . . . . . . 29 V H . 51374 1 14 . 1 . 1 22 22 VAL N N 15 120.991 . . . . . . . . 29 V N . 51374 1 15 . 1 . 1 23 23 GLN H H 1 8.170 . . . . . . . . 30 Q H . 51374 1 16 . 1 . 1 23 23 GLN N N 15 125.107 . . . . . . . . 30 Q N . 51374 1 17 . 1 . 1 24 24 GLY H H 1 7.689 . . . . . . . . 31 G H . 51374 1 18 . 1 . 1 24 24 GLY N N 15 105.072 . . . . . . . . 31 G N . 51374 1 19 . 1 . 1 25 25 GLY H H 1 7.707 . . . . . . . . 32 G H . 51374 1 20 . 1 . 1 25 25 GLY N N 15 108.421 . . . . . . . . 32 G N . 51374 1 21 . 1 . 1 26 26 MET H H 1 8.396 . . . . . . . . 33 M H . 51374 1 22 . 1 . 1 26 26 MET N N 15 119.263 . . . . . . . . 33 M N . 51374 1 23 . 1 . 1 27 27 THR H H 1 6.519 . . . . . . . . 34 T H . 51374 1 24 . 1 . 1 27 27 THR N N 15 109.337 . . . . . . . . 34 T N . 51374 1 25 . 1 . 1 28 28 ASP H H 1 8.470 . . . . . . . . 35 D H . 51374 1 26 . 1 . 1 28 28 ASP N N 15 121.049 . . . . . . . . 35 D N . 51374 1 27 . 1 . 1 29 29 GLY H H 1 9.523 . . . . . . . . 36 G H . 51374 1 28 . 1 . 1 29 29 GLY N N 15 112.774 . . . . . . . . 36 G N . 51374 1 29 . 1 . 1 30 30 LEU H H 1 8.036 . . . . . . . . 37 L H . 51374 1 30 . 1 . 1 30 30 LEU N N 15 128.245 . . . . . . . . 37 L N . 51374 1 31 . 1 . 1 31 31 TYR H H 1 7.990 . . . . . . . . 38 Y H . 51374 1 32 . 1 . 1 31 31 TYR N N 15 121.466 . . . . . . . . 38 Y N . 51374 1 33 . 1 . 1 33 33 LEU H H 1 9.186 . . . . . . . . 40 L H . 51374 1 34 . 1 . 1 33 33 LEU N N 15 120.862 . . . . . . . . 40 L N . 51374 1 35 . 1 . 1 34 34 ARG H H 1 9.637 . . . . . . . . 41 R H . 51374 1 36 . 1 . 1 34 34 ARG N N 15 121.997 . . . . . . . . 41 R N . 51374 1 37 . 1 . 1 38 38 ASN H H 1 7.372 . . . . . . . . 45 N H . 51374 1 38 . 1 . 1 38 38 ASN N N 15 123.338 . . . . . . . . 45 N N . 51374 1 39 . 1 . 1 42 42 GLY H H 1 7.942 . . . . . . . . 49 G H . 51374 1 40 . 1 . 1 42 42 GLY N N 15 106.193 . . . . . . . . 49 G N . 51374 1 41 . 1 . 1 43 43 PHE H H 1 9.287 . . . . . . . . 50 F H . 51374 1 42 . 1 . 1 43 43 PHE N N 15 117.342 . . . . . . . . 50 F N . 51374 1 43 . 1 . 1 44 44 ALA H H 1 9.212 . . . . . . . . 51 A H . 51374 1 44 . 1 . 1 44 44 ALA N N 15 123.231 . . . . . . . . 51 A N . 51374 1 45 . 1 . 1 45 45 LEU H H 1 9.352 . . . . . . . . 52 L H . 51374 1 46 . 1 . 1 45 45 LEU N N 15 126.290 . . . . . . . . 52 L N . 51374 1 47 . 1 . 1 46 46 SER H H 1 8.821 . . . . . . . . 53 S H . 51374 1 48 . 1 . 1 46 46 SER N N 15 125.068 . . . . . . . . 53 S N . 51374 1 49 . 1 . 1 47 47 VAL H H 1 9.203 . . . . . . . . 54 V H . 51374 1 50 . 1 . 1 47 47 VAL N N 15 123.854 . . . . . . . . 54 V N . 51374 1 51 . 1 . 1 48 48 ALA H H 1 8.882 . . . . . . . . 55 A H . 51374 1 52 . 1 . 1 48 48 ALA N N 15 131.307 . . . . . . . . 55 A N . 51374 1 53 . 1 . 1 49 49 HIS H H 1 8.929 . . . . . . . . 56 H H . 51374 1 54 . 1 . 1 49 49 HIS N N 15 119.981 . . . . . . . . 56 H N . 51374 1 55 . 1 . 1 50 50 ASN H H 1 8.814 . . . . . . . . 57 N H . 51374 1 56 . 1 . 1 50 50 ASN N N 15 128.598 . . . . . . . . 57 N N . 51374 1 57 . 1 . 1 51 51 ARG H H 1 9.519 . . . . . . . . 58 R H . 51374 1 58 . 1 . 1 51 51 ARG N N 15 109.099 . . . . . . . . 58 R N . 51374 1 59 . 1 . 1 52 52 LYS H H 1 7.686 . . . . . . . . 59 K H . 51374 1 60 . 1 . 1 52 52 LYS N N 15 120.317 . . . . . . . . 59 K N . 51374 1 61 . 1 . 1 53 53 ALA H H 1 8.395 . . . . . . . . 60 A H . 51374 1 62 . 1 . 1 53 53 ALA N N 15 124.835 . . . . . . . . 60 A N . 51374 1 63 . 1 . 1 54 54 HIS H H 1 8.859 . . . . . . . . 61 H H . 51374 1 64 . 1 . 1 54 54 HIS N N 15 122.582 . . . . . . . . 61 H N . 51374 1 65 . 1 . 1 56 56 TYR H H 1 9.637 . . . . . . . . 63 Y H . 51374 1 66 . 1 . 1 56 56 TYR N N 15 121.997 . . . . . . . . 63 Y N . 51374 1 67 . 1 . 1 61 61 GLU H H 1 8.775 . . . . . . . . 68 E H . 51374 1 68 . 1 . 1 61 61 GLU N N 15 129.732 . . . . . . . . 68 E N . 51374 1 69 . 1 . 1 62 62 LEU H H 1 8.680 . . . . . . . . 69 L H . 51374 1 70 . 1 . 1 62 62 LEU N N 15 122.994 . . . . . . . . 69 L N . 51374 1 71 . 1 . 1 64 64 GLY H H 1 8.108 . . . . . . . . 71 G H . 51374 1 72 . 1 . 1 64 64 GLY N N 15 107.839 . . . . . . . . 71 G N . 51374 1 73 . 1 . 1 65 65 THR H H 1 6.836 . . . . . . . . 72 T H . 51374 1 74 . 1 . 1 65 65 THR N N 15 109.086 . . . . . . . . 72 T N . 51374 1 75 . 1 . 1 66 66 TYR H H 1 9.054 . . . . . . . . 73 Y H . 51374 1 76 . 1 . 1 66 66 TYR N N 15 116.059 . . . . . . . . 73 Y N . 51374 1 77 . 1 . 1 67 67 ALA H H 1 8.659 . . . . . . . . 74 A H . 51374 1 78 . 1 . 1 67 67 ALA N N 15 122.071 . . . . . . . . 74 A N . 51374 1 79 . 1 . 1 68 68 ILE H H 1 9.475 . . . . . . . . 75 I H . 51374 1 80 . 1 . 1 68 68 ILE N N 15 126.490 . . . . . . . . 75 I N . 51374 1 81 . 1 . 1 70 70 GLY H H 1 8.679 . . . . . . . . 77 G H . 51374 1 82 . 1 . 1 70 70 GLY N N 15 114.850 . . . . . . . . 77 G N . 51374 1 83 . 1 . 1 71 71 GLY H H 1 8.764 . . . . . . . . 78 G H . 51374 1 84 . 1 . 1 71 71 GLY N N 15 110.438 . . . . . . . . 78 G N . 51374 1 85 . 1 . 1 73 73 ALA H H 1 7.700 . . . . . . . . 80 A H . 51374 1 86 . 1 . 1 73 73 ALA N N 15 122.885 . . . . . . . . 80 A N . 51374 1 87 . 1 . 1 74 74 HIS H H 1 9.280 . . . . . . . . 81 H H . 51374 1 88 . 1 . 1 74 74 HIS N N 15 120.155 . . . . . . . . 81 H N . 51374 1 89 . 1 . 1 75 75 ALA H H 1 9.564 . . . . . . . . 82 A H . 51374 1 90 . 1 . 1 75 75 ALA N N 15 122.998 . . . . . . . . 82 A N . 51374 1 91 . 1 . 1 76 76 SER H H 1 7.433 . . . . . . . . 83 S H . 51374 1 92 . 1 . 1 76 76 SER N N 15 106.729 . . . . . . . . 83 S N . 51374 1 93 . 1 . 1 78 78 ALA H H 1 7.786 . . . . . . . . 85 A H . 51374 1 94 . 1 . 1 78 78 ALA N N 15 120.531 . . . . . . . . 85 A N . 51374 1 95 . 1 . 1 79 79 ASP H H 1 7.763 . . . . . . . . 86 D H . 51374 1 96 . 1 . 1 79 79 ASP N N 15 119.497 . . . . . . . . 86 D N . 51374 1 97 . 1 . 1 80 80 LEU H H 1 7.305 . . . . . . . . 87 L H . 51374 1 98 . 1 . 1 80 80 LEU N N 15 124.147 . . . . . . . . 87 L N . 51374 1 99 . 1 . 1 81 81 CYS H H 1 7.818 . . . . . . . . 88 C H . 51374 1 100 . 1 . 1 81 81 CYS N N 15 118.390 . . . . . . . . 88 C N . 51374 1 101 . 1 . 1 83 83 TYR H H 1 8.500 . . . . . . . . 90 Y H . 51374 1 102 . 1 . 1 83 83 TYR N N 15 123.995 . . . . . . . . 90 Y N . 51374 1 103 . 1 . 1 84 84 HIS H H 1 7.829 . . . . . . . . 91 H H . 51374 1 104 . 1 . 1 84 84 HIS N N 15 116.645 . . . . . . . . 91 H N . 51374 1 105 . 1 . 1 85 85 SER H H 1 7.355 . . . . . . . . 92 S H . 51374 1 106 . 1 . 1 85 85 SER N N 15 115.710 . . . . . . . . 92 S N . 51374 1 107 . 1 . 1 86 86 GLN H H 1 7.393 . . . . . . . . 93 Q H . 51374 1 108 . 1 . 1 86 86 GLN N N 15 119.417 . . . . . . . . 93 Q N . 51374 1 109 . 1 . 1 89 89 ASP H H 1 8.163 . . . . . . . . 96 D H . 51374 1 110 . 1 . 1 89 89 ASP N N 15 116.668 . . . . . . . . 96 D N . 51374 1 111 . 1 . 1 90 90 GLY H H 1 8.158 . . . . . . . . 97 G H . 51374 1 112 . 1 . 1 90 90 GLY N N 15 104.930 . . . . . . . . 97 G N . 51374 1 113 . 1 . 1 91 91 LEU H H 1 8.048 . . . . . . . . 98 L H . 51374 1 114 . 1 . 1 91 91 LEU N N 15 121.434 . . . . . . . . 98 L N . 51374 1 115 . 1 . 1 92 92 ILE H H 1 7.034 . . . . . . . . 99 I H . 51374 1 116 . 1 . 1 92 92 ILE N N 15 116.908 . . . . . . . . 99 I N . 51374 1 117 . 1 . 1 93 93 CYS H H 1 6.782 . . . . . . . . 100 C H . 51374 1 118 . 1 . 1 93 93 CYS N N 15 111.682 . . . . . . . . 100 C N . 51374 1 119 . 1 . 1 94 94 LEU H H 1 7.644 . . . . . . . . 101 L H . 51374 1 120 . 1 . 1 94 94 LEU N N 15 117.129 . . . . . . . . 101 L N . 51374 1 121 . 1 . 1 95 95 LEU H H 1 7.758 . . . . . . . . 102 L H . 51374 1 122 . 1 . 1 95 95 LEU N N 15 122.995 . . . . . . . . 102 L N . 51374 1 123 . 1 . 1 97 97 LYS H H 1 7.525 . . . . . . . . 104 K H . 51374 1 124 . 1 . 1 97 97 LYS N N 15 120.943 . . . . . . . . 104 K N . 51374 1 125 . 1 . 1 99 99 PHE H H 1 9.095 . . . . . . . . 106 F H . 51374 1 126 . 1 . 1 99 99 PHE N N 15 126.022 . . . . . . . . 106 F N . 51374 1 127 . 1 . 1 100 100 ASN H H 1 6.908 . . . . . . . . 107 N H . 51374 1 128 . 1 . 1 100 100 ASN N N 15 120.910 . . . . . . . . 107 N N . 51374 1 129 . 1 . 1 101 101 ARG H H 1 7.906 . . . . . . . . 108 R H . 51374 1 130 . 1 . 1 101 101 ARG N N 15 118.695 . . . . . . . . 108 R N . 51374 1 131 . 1 . 1 105 105 VAL H H 1 7.828 . . . . . . . . 112 V H . 51374 1 132 . 1 . 1 105 105 VAL N N 15 122.880 . . . . . . . . 112 V N . 51374 1 133 . 1 . 1 136 136 TRP H H 1 5.522 . . . . . . . . 167 W H . 51374 1 134 . 1 . 1 136 136 TRP N N 15 108.303 . . . . . . . . 167 W N . 51374 1 135 . 1 . 1 137 137 PHE H H 1 7.604 . . . . . . . . 168 F H . 51374 1 136 . 1 . 1 137 137 PHE N N 15 123.894 . . . . . . . . 168 F N . 51374 1 137 . 1 . 1 141 141 ILE H H 1 7.034 . . . . . . . . 172 I H . 51374 1 138 . 1 . 1 141 141 ILE N N 15 116.908 . . . . . . . . 172 I N . 51374 1 139 . 1 . 1 142 142 SER H H 1 8.994 . . . . . . . . 173 S H . 51374 1 140 . 1 . 1 142 142 SER N N 15 119.568 . . . . . . . . 173 S N . 51374 1 141 . 1 . 1 143 143 ARG H H 1 9.169 . . . . . . . . 174 R H . 51374 1 142 . 1 . 1 143 143 ARG N N 15 123.553 . . . . . . . . 174 R N . 51374 1 143 . 1 . 1 144 144 ASP H H 1 8.641 . . . . . . . . 175 D H . 51374 1 144 . 1 . 1 144 144 ASP N N 15 120.309 . . . . . . . . 175 D N . 51374 1 145 . 1 . 1 145 145 GLU H H 1 7.970 . . . . . . . . 176 E H . 51374 1 146 . 1 . 1 145 145 GLU N N 15 120.894 . . . . . . . . 176 E N . 51374 1 147 . 1 . 1 146 146 SER H H 1 8.832 . . . . . . . . 177 S H . 51374 1 148 . 1 . 1 146 146 SER N N 15 118.961 . . . . . . . . 177 S N . 51374 1 149 . 1 . 1 147 147 GLU H H 1 7.636 . . . . . . . . 178 E H . 51374 1 150 . 1 . 1 147 147 GLU N N 15 123.228 . . . . . . . . 178 E N . 51374 1 151 . 1 . 1 148 148 GLN H H 1 7.513 . . . . . . . . 179 Q H . 51374 1 152 . 1 . 1 148 148 GLN N N 15 115.676 . . . . . . . . 179 Q N . 51374 1 153 . 1 . 1 149 149 THR H H 1 7.889 . . . . . . . . 180 T H . 51374 1 154 . 1 . 1 149 149 THR N N 15 114.741 . . . . . . . . 180 T N . 51374 1 155 . 1 . 1 151 151 LEU H H 1 7.231 . . . . . . . . 182 L H . 51374 1 156 . 1 . 1 151 151 LEU N N 15 117.448 . . . . . . . . 182 L N . 51374 1 157 . 1 . 1 152 152 ILE H H 1 6.942 . . . . . . . . 183 I H . 51374 1 158 . 1 . 1 152 152 ILE N N 15 121.081 . . . . . . . . 183 I N . 51374 1 159 . 1 . 1 153 153 GLY H H 1 8.232 . . . . . . . . 184 G H . 51374 1 160 . 1 . 1 153 153 GLY N N 15 113.606 . . . . . . . . 184 G N . 51374 1 161 . 1 . 1 156 156 THR H H 1 7.090 . . . . . . . . 187 T H . 51374 1 162 . 1 . 1 156 156 THR N N 15 119.327 . . . . . . . . 187 T N . 51374 1 163 . 1 . 1 158 158 GLY H H 1 9.620 . . . . . . . . 189 G H . 51374 1 164 . 1 . 1 158 158 GLY N N 15 113.551 . . . . . . . . 189 G N . 51374 1 165 . 1 . 1 159 159 LYS H H 1 7.585 . . . . . . . . 190 K H . 51374 1 166 . 1 . 1 159 159 LYS N N 15 124.521 . . . . . . . . 190 K N . 51374 1 167 . 1 . 1 161 161 LEU H H 1 8.774 . . . . . . . . 192 L H . 51374 1 168 . 1 . 1 161 161 LEU N N 15 115.407 . . . . . . . . 192 L N . 51374 1 169 . 1 . 1 162 162 ILE H H 1 9.280 . . . . . . . . 193 I H . 51374 1 170 . 1 . 1 162 162 ILE N N 15 120.155 . . . . . . . . 193 I N . 51374 1 171 . 1 . 1 164 164 ALA H H 1 8.426 . . . . . . . . 195 A H . 51374 1 172 . 1 . 1 164 164 ALA N N 15 125.538 . . . . . . . . 195 A N . 51374 1 173 . 1 . 1 165 165 ARG H H 1 7.970 . . . . . . . . 196 R H . 51374 1 174 . 1 . 1 165 165 ARG N N 15 120.894 . . . . . . . . 196 R N . 51374 1 175 . 1 . 1 169 169 GLY H H 1 8.291 . . . . . . . . 200 G H . 51374 1 176 . 1 . 1 169 169 GLY N N 15 112.263 . . . . . . . . 200 G N . 51374 1 177 . 1 . 1 170 170 SER H H 1 7.514 . . . . . . . . 201 S H . 51374 1 178 . 1 . 1 170 170 SER N N 15 112.852 . . . . . . . . 201 S N . 51374 1 179 . 1 . 1 172 172 ALA H H 1 9.410 . . . . . . . . 203 A H . 51374 1 180 . 1 . 1 172 172 ALA N N 15 121.500 . . . . . . . . 203 A N . 51374 1 181 . 1 . 1 173 173 LEU H H 1 9.545 . . . . . . . . 204 L H . 51374 1 182 . 1 . 1 173 173 LEU N N 15 125.670 . . . . . . . . 204 L N . 51374 1 183 . 1 . 1 174 174 CYS H H 1 9.083 . . . . . . . . 205 C H . 51374 1 184 . 1 . 1 174 174 CYS N N 15 128.490 . . . . . . . . 205 C N . 51374 1 185 . 1 . 1 175 175 LEU H H 1 8.892 . . . . . . . . 206 L H . 51374 1 186 . 1 . 1 175 175 LEU N N 15 124.341 . . . . . . . . 206 L N . 51374 1 187 . 1 . 1 176 176 LEU H H 1 8.697 . . . . . . . . 207 L H . 51374 1 188 . 1 . 1 176 176 LEU N N 15 126.601 . . . . . . . . 207 L N . 51374 1 189 . 1 . 1 177 177 HIS H H 1 9.290 . . . . . . . . 208 H H . 51374 1 190 . 1 . 1 177 177 HIS N N 15 128.537 . . . . . . . . 208 H N . 51374 1 191 . 1 . 1 179 179 GLY H H 1 8.009 . . . . . . . . 210 G H . 51374 1 192 . 1 . 1 179 179 GLY N N 15 103.269 . . . . . . . . 210 G N . 51374 1 193 . 1 . 1 181 181 VAL H H 1 8.454 . . . . . . . . 212 V H . 51374 1 194 . 1 . 1 181 181 VAL N N 15 122.883 . . . . . . . . 212 V N . 51374 1 195 . 1 . 1 183 183 HIS H H 1 8.290 . . . . . . . . 214 H H . 51374 1 196 . 1 . 1 183 183 HIS N N 15 119.937 . . . . . . . . 214 H N . 51374 1 197 . 1 . 1 186 186 ILE H H 1 7.990 . . . . . . . . 217 I H . 51374 1 198 . 1 . 1 186 186 ILE N N 15 121.466 . . . . . . . . 217 I N . 51374 1 199 . 1 . 1 187 187 ASP H H 1 8.558 . . . . . . . . 218 D H . 51374 1 200 . 1 . 1 187 187 ASP N N 15 125.711 . . . . . . . . 218 D N . 51374 1 201 . 1 . 1 188 188 ARG H H 1 8.454 . . . . . . . . 219 R H . 51374 1 202 . 1 . 1 188 188 ARG N N 15 122.883 . . . . . . . . 219 R N . 51374 1 203 . 1 . 1 189 189 ASP H H 1 8.775 . . . . . . . . 220 D H . 51374 1 204 . 1 . 1 189 189 ASP N N 15 127.685 . . . . . . . . 220 D N . 51374 1 205 . 1 . 1 192 192 GLY H H 1 8.013 . . . . . . . . 223 G H . 51374 1 206 . 1 . 1 192 192 GLY N N 15 110.395 . . . . . . . . 223 G N . 51374 1 207 . 1 . 1 193 193 LYS H H 1 7.753 . . . . . . . . 224 K H . 51374 1 208 . 1 . 1 193 193 LYS N N 15 121.420 . . . . . . . . 224 K N . 51374 1 209 . 1 . 1 194 194 LEU H H 1 9.191 . . . . . . . . 225 L H . 51374 1 210 . 1 . 1 194 194 LEU N N 15 122.661 . . . . . . . . 225 L N . 51374 1 211 . 1 . 1 199 199 GLY H H 1 9.244 . . . . . . . . 230 G H . 51374 1 212 . 1 . 1 199 199 GLY N N 15 110.726 . . . . . . . . 230 G N . 51374 1 213 . 1 . 1 201 201 LYS H H 1 7.438 . . . . . . . . 232 K H . 51374 1 214 . 1 . 1 201 201 LYS N N 15 119.871 . . . . . . . . 232 K N . 51374 1 215 . 1 . 1 202 202 PHE H H 1 9.091 . . . . . . . . 233 F H . 51374 1 216 . 1 . 1 202 202 PHE N N 15 119.171 . . . . . . . . 233 F N . 51374 1 217 . 1 . 1 203 203 ASP H H 1 8.725 . . . . . . . . 234 D H . 51374 1 218 . 1 . 1 203 203 ASP N N 15 119.549 . . . . . . . . 234 D N . 51374 1 219 . 1 . 1 204 204 THR H H 1 7.215 . . . . . . . . 235 T H . 51374 1 220 . 1 . 1 204 204 THR N N 15 105.317 . . . . . . . . 235 T N . 51374 1 221 . 1 . 1 208 208 LEU H H 1 6.587 . . . . . . . . 239 L H . 51374 1 222 . 1 . 1 208 208 LEU N N 15 124.393 . . . . . . . . 239 L N . 51374 1 223 . 1 . 1 211 211 HIS H H 1 7.475 . . . . . . . . 242 H H . 51374 1 224 . 1 . 1 211 211 HIS N N 15 119.422 . . . . . . . . 242 H N . 51374 1 225 . 1 . 1 212 212 TYR H H 1 7.472 . . . . . . . . 243 Y H . 51374 1 226 . 1 . 1 212 212 TYR N N 15 115.718 . . . . . . . . 243 Y N . 51374 1 227 . 1 . 1 213 213 SER H H 1 7.120 . . . . . . . . 244 S H . 51374 1 228 . 1 . 1 213 213 SER N N 15 113.169 . . . . . . . . 244 S N . 51374 1 229 . 1 . 1 214 214 TYR H H 1 7.299 . . . . . . . . 245 Y H . 51374 1 230 . 1 . 1 214 214 TYR N N 15 121.568 . . . . . . . . 245 Y N . 51374 1 231 . 1 . 1 218 218 GLY H H 1 8.098 . . . . . . . . 249 G H . 51374 1 232 . 1 . 1 218 218 GLY N N 15 104.468 . . . . . . . . 249 G N . 51374 1 233 . 1 . 1 224 224 THR H H 1 8.416 . . . . . . . . 255 T H . 51374 1 234 . 1 . 1 224 224 THR N N 15 112.106 . . . . . . . . 255 T N . 51374 1 235 . 1 . 1 227 227 CYS H H 1 8.612 . . . . . . . . 258 C H . 51374 1 236 . 1 . 1 227 227 CYS N N 15 124.133 . . . . . . . . 258 C N . 51374 1 237 . 1 . 1 229 229 LYS H H 1 8.291 . . . . . . . . 260 K H . 51374 1 238 . 1 . 1 229 229 LYS N N 15 125.086 . . . . . . . . 260 K N . 51374 1 239 . 1 . 1 230 230 ILE H H 1 8.239 . . . . . . . . 261 I H . 51374 1 240 . 1 . 1 230 230 ILE N N 15 125.250 . . . . . . . . 261 I N . 51374 1 241 . 1 . 1 231 231 GLY H H 1 8.345 . . . . . . . . 262 G H . 51374 1 242 . 1 . 1 231 231 GLY N N 15 114.133 . . . . . . . . 262 G N . 51374 1 stop_ save_