################################### # 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 51373 _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' . . . 51373 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 . . 51373 1 2 $software_2 . . 51373 1 3 $software_3 . . 51373 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 6.255 . . . . . . . . 14 Y H . 51373 1 2 . 1 . 1 7 7 TYR N N 15 113.718 . . . . . . . . 14 Y N . 51373 1 3 . 1 . 1 8 8 PHE H H 1 6.845 . . . . . . . . 15 F H . 51373 1 4 . 1 . 1 8 8 PHE N N 15 120.566 . . . . . . . . 15 F N . 51373 1 5 . 1 . 1 9 9 PHE H H 1 8.846 . . . . . . . . 16 F H . 51373 1 6 . 1 . 1 9 9 PHE N N 15 124.656 . . . . . . . . 16 F N . 51373 1 7 . 1 . 1 11 11 ASN H H 1 9.137 . . . . . . . . 18 N H . 51373 1 8 . 1 . 1 11 11 ASN N N 15 129.706 . . . . . . . . 18 N N . 51373 1 9 . 1 . 1 15 15 GLU H H 1 8.690 . . . . . . . . 22 E H . 51373 1 10 . 1 . 1 15 15 GLU N N 15 118.900 . . . . . . . . 22 E N . 51373 1 11 . 1 . 1 18 18 GLU H H 1 8.263 . . . . . . . . 25 E H . 51373 1 12 . 1 . 1 18 18 GLU N N 15 116.963 . . . . . . . . 25 E N . 51373 1 13 . 1 . 1 21 21 LEU H H 1 7.495 . . . . . . . . 28 L H . 51373 1 14 . 1 . 1 21 21 LEU N N 15 117.459 . . . . . . . . 28 L N . 51373 1 15 . 1 . 1 22 22 VAL H H 1 7.808 . . . . . . . . 29 V H . 51373 1 16 . 1 . 1 22 22 VAL N N 15 120.940 . . . . . . . . 29 V N . 51373 1 17 . 1 . 1 23 23 GLN H H 1 8.170 . . . . . . . . 30 Q H . 51373 1 18 . 1 . 1 23 23 GLN N N 15 125.165 . . . . . . . . 30 Q N . 51373 1 19 . 1 . 1 24 24 GLY H H 1 7.692 . . . . . . . . 31 G H . 51373 1 20 . 1 . 1 24 24 GLY N N 15 105.052 . . . . . . . . 31 G N . 51373 1 21 . 1 . 1 25 25 GLY H H 1 7.705 . . . . . . . . 32 G H . 51373 1 22 . 1 . 1 25 25 GLY N N 15 108.429 . . . . . . . . 32 G N . 51373 1 23 . 1 . 1 26 26 MET H H 1 8.391 . . . . . . . . 33 M H . 51373 1 24 . 1 . 1 26 26 MET N N 15 119.280 . . . . . . . . 33 M N . 51373 1 25 . 1 . 1 27 27 THR H H 1 6.522 . . . . . . . . 34 T H . 51373 1 26 . 1 . 1 27 27 THR N N 15 109.345 . . . . . . . . 34 T N . 51373 1 27 . 1 . 1 28 28 ASP H H 1 8.475 . . . . . . . . 35 D H . 51373 1 28 . 1 . 1 28 28 ASP N N 15 121.039 . . . . . . . . 35 D N . 51373 1 29 . 1 . 1 29 29 GLY H H 1 9.514 . . . . . . . . 36 G H . 51373 1 30 . 1 . 1 29 29 GLY N N 15 112.767 . . . . . . . . 36 G N . 51373 1 31 . 1 . 1 30 30 LEU H H 1 8.036 . . . . . . . . 37 L H . 51373 1 32 . 1 . 1 30 30 LEU N N 15 128.249 . . . . . . . . 37 L N . 51373 1 33 . 1 . 1 31 31 TYR H H 1 7.971 . . . . . . . . 38 Y H . 51373 1 34 . 1 . 1 31 31 TYR N N 15 121.413 . . . . . . . . 38 Y N . 51373 1 35 . 1 . 1 32 32 LEU H H 1 9.032 . . . . . . . . 39 L H . 51373 1 36 . 1 . 1 32 32 LEU N N 15 114.065 . . . . . . . . 39 L N . 51373 1 37 . 1 . 1 33 33 LEU H H 1 9.178 . . . . . . . . 40 L H . 51373 1 38 . 1 . 1 33 33 LEU N N 15 120.805 . . . . . . . . 40 L N . 51373 1 39 . 1 . 1 34 34 ARG H H 1 9.636 . . . . . . . . 41 R H . 51373 1 40 . 1 . 1 34 34 ARG N N 15 122.177 . . . . . . . . 41 R N . 51373 1 41 . 1 . 1 38 38 ASN H H 1 7.368 . . . . . . . . 45 N H . 51373 1 42 . 1 . 1 38 38 ASN N N 15 123.330 . . . . . . . . 45 N N . 51373 1 43 . 1 . 1 42 42 GLY H H 1 7.893 . . . . . . . . 49 G H . 51373 1 44 . 1 . 1 42 42 GLY N N 15 105.900 . . . . . . . . 49 G N . 51373 1 45 . 1 . 1 43 43 PHE H H 1 9.319 . . . . . . . . 50 F H . 51373 1 46 . 1 . 1 43 43 PHE N N 15 117.387 . . . . . . . . 50 F N . 51373 1 47 . 1 . 1 44 44 ALA H H 1 9.241 . . . . . . . . 51 A H . 51373 1 48 . 1 . 1 44 44 ALA N N 15 123.217 . . . . . . . . 51 A N . 51373 1 49 . 1 . 1 45 45 LEU H H 1 9.383 . . . . . . . . 52 L H . 51373 1 50 . 1 . 1 45 45 LEU N N 15 126.368 . . . . . . . . 52 L N . 51373 1 51 . 1 . 1 46 46 SER H H 1 8.811 . . . . . . . . 53 S H . 51373 1 52 . 1 . 1 46 46 SER N N 15 125.184 . . . . . . . . 53 S N . 51373 1 53 . 1 . 1 47 47 VAL H H 1 9.186 . . . . . . . . 54 V H . 51373 1 54 . 1 . 1 47 47 VAL N N 15 124.003 . . . . . . . . 54 V N . 51373 1 55 . 1 . 1 48 48 ALA H H 1 8.858 . . . . . . . . 55 A H . 51373 1 56 . 1 . 1 48 48 ALA N N 15 130.936 . . . . . . . . 55 A N . 51373 1 57 . 1 . 1 49 49 HIS H H 1 8.953 . . . . . . . . 56 H H . 51373 1 58 . 1 . 1 49 49 HIS N N 15 119.811 . . . . . . . . 56 H N . 51373 1 59 . 1 . 1 50 50 ASN H H 1 8.820 . . . . . . . . 57 N H . 51373 1 60 . 1 . 1 50 50 ASN N N 15 128.706 . . . . . . . . 57 N N . 51373 1 61 . 1 . 1 51 51 ARG H H 1 9.509 . . . . . . . . 58 R H . 51373 1 62 . 1 . 1 51 51 ARG N N 15 109.252 . . . . . . . . 58 R N . 51373 1 63 . 1 . 1 52 52 LYS H H 1 7.638 . . . . . . . . 59 K H . 51373 1 64 . 1 . 1 52 52 LYS N N 15 120.051 . . . . . . . . 59 K N . 51373 1 65 . 1 . 1 53 53 ALA H H 1 8.297 . . . . . . . . 60 A H . 51373 1 66 . 1 . 1 53 53 ALA N N 15 124.037 . . . . . . . . 60 A N . 51373 1 67 . 1 . 1 54 54 HIS H H 1 8.892 . . . . . . . . 61 H H . 51373 1 68 . 1 . 1 54 54 HIS N N 15 123.446 . . . . . . . . 61 H N . 51373 1 69 . 1 . 1 56 56 TYR H H 1 9.636 . . . . . . . . 63 Y H . 51373 1 70 . 1 . 1 56 56 TYR N N 15 122.177 . . . . . . . . 63 Y N . 51373 1 71 . 1 . 1 58 58 ILE H H 1 9.253 . . . . . . . . 65 I H . 51373 1 72 . 1 . 1 58 58 ILE N N 15 129.507 . . . . . . . . 65 I N . 51373 1 73 . 1 . 1 61 61 GLU H H 1 8.782 . . . . . . . . 68 E H . 51373 1 74 . 1 . 1 61 61 GLU N N 15 129.833 . . . . . . . . 68 E N . 51373 1 75 . 1 . 1 62 62 LEU H H 1 8.678 . . . . . . . . 69 L H . 51373 1 76 . 1 . 1 62 62 LEU N N 15 122.981 . . . . . . . . 69 L N . 51373 1 77 . 1 . 1 63 63 ASN H H 1 7.830 . . . . . . . . 70 N H . 51373 1 78 . 1 . 1 63 63 ASN N N 15 114.148 . . . . . . . . 70 N N . 51373 1 79 . 1 . 1 64 64 GLY H H 1 8.111 . . . . . . . . 71 G H . 51373 1 80 . 1 . 1 64 64 GLY N N 15 107.836 . . . . . . . . 71 G N . 51373 1 81 . 1 . 1 65 65 THR H H 1 6.831 . . . . . . . . 72 T H . 51373 1 82 . 1 . 1 65 65 THR N N 15 109.062 . . . . . . . . 72 T N . 51373 1 83 . 1 . 1 66 66 TYR H H 1 9.054 . . . . . . . . 73 Y H . 51373 1 84 . 1 . 1 66 66 TYR N N 15 115.988 . . . . . . . . 73 Y N . 51373 1 85 . 1 . 1 67 67 ALA H H 1 8.650 . . . . . . . . 74 A H . 51373 1 86 . 1 . 1 67 67 ALA N N 15 121.942 . . . . . . . . 74 A N . 51373 1 87 . 1 . 1 68 68 ILE H H 1 9.486 . . . . . . . . 75 I H . 51373 1 88 . 1 . 1 68 68 ILE N N 15 127.052 . . . . . . . . 75 I N . 51373 1 89 . 1 . 1 70 70 GLY H H 1 8.680 . . . . . . . . 77 G H . 51373 1 90 . 1 . 1 70 70 GLY N N 15 115.071 . . . . . . . . 77 G N . 51373 1 91 . 1 . 1 71 71 GLY H H 1 8.812 . . . . . . . . 78 G H . 51373 1 92 . 1 . 1 71 71 GLY N N 15 111.027 . . . . . . . . 78 G N . 51373 1 93 . 1 . 1 73 73 ALA H H 1 7.675 . . . . . . . . 80 A H . 51373 1 94 . 1 . 1 73 73 ALA N N 15 122.708 . . . . . . . . 80 A N . 51373 1 95 . 1 . 1 74 74 HIS H H 1 9.292 . . . . . . . . 81 H H . 51373 1 96 . 1 . 1 74 74 HIS N N 15 120.309 . . . . . . . . 81 H N . 51373 1 97 . 1 . 1 75 75 ALA H H 1 9.566 . . . . . . . . 82 A H . 51373 1 98 . 1 . 1 75 75 ALA N N 15 123.061 . . . . . . . . 82 A N . 51373 1 99 . 1 . 1 76 76 SER H H 1 7.438 . . . . . . . . 83 S H . 51373 1 100 . 1 . 1 76 76 SER N N 15 106.759 . . . . . . . . 83 S N . 51373 1 101 . 1 . 1 78 78 ALA H H 1 7.769 . . . . . . . . 85 A H . 51373 1 102 . 1 . 1 78 78 ALA N N 15 120.601 . . . . . . . . 85 A N . 51373 1 103 . 1 . 1 79 79 ASP H H 1 7.754 . . . . . . . . 86 D H . 51373 1 104 . 1 . 1 79 79 ASP N N 15 119.483 . . . . . . . . 86 D N . 51373 1 105 . 1 . 1 80 80 LEU H H 1 7.284 . . . . . . . . 87 L H . 51373 1 106 . 1 . 1 80 80 LEU N N 15 124.136 . . . . . . . . 87 L N . 51373 1 107 . 1 . 1 81 81 CYS H H 1 7.801 . . . . . . . . 88 C H . 51373 1 108 . 1 . 1 81 81 CYS N N 15 118.409 . . . . . . . . 88 C N . 51373 1 109 . 1 . 1 83 83 TYR H H 1 8.500 . . . . . . . . 90 Y H . 51373 1 110 . 1 . 1 83 83 TYR N N 15 123.934 . . . . . . . . 90 Y N . 51373 1 111 . 1 . 1 84 84 HIS H H 1 7.826 . . . . . . . . 91 H H . 51373 1 112 . 1 . 1 84 84 HIS N N 15 116.652 . . . . . . . . 91 H N . 51373 1 113 . 1 . 1 85 85 SER H H 1 7.348 . . . . . . . . 92 S H . 51373 1 114 . 1 . 1 85 85 SER N N 15 115.627 . . . . . . . . 92 S N . 51373 1 115 . 1 . 1 86 86 GLN H H 1 7.420 . . . . . . . . 93 Q H . 51373 1 116 . 1 . 1 86 86 GLN N N 15 119.483 . . . . . . . . 93 Q N . 51373 1 117 . 1 . 1 89 89 ASP H H 1 8.229 . . . . . . . . 96 D H . 51373 1 118 . 1 . 1 89 89 ASP N N 15 117.066 . . . . . . . . 96 D N . 51373 1 119 . 1 . 1 90 90 GLY H H 1 8.087 . . . . . . . . 97 G H . 51373 1 120 . 1 . 1 90 90 GLY N N 15 104.424 . . . . . . . . 97 G N . 51373 1 121 . 1 . 1 92 92 ILE H H 1 6.897 . . . . . . . . 99 I H . 51373 1 122 . 1 . 1 92 92 ILE N N 15 117.643 . . . . . . . . 99 I N . 51373 1 123 . 1 . 1 93 93 CYS H H 1 6.719 . . . . . . . . 100 C H . 51373 1 124 . 1 . 1 93 93 CYS N N 15 111.715 . . . . . . . . 100 C N . 51373 1 125 . 1 . 1 94 94 LEU H H 1 7.656 . . . . . . . . 101 L H . 51373 1 126 . 1 . 1 94 94 LEU N N 15 117.282 . . . . . . . . 101 L N . 51373 1 127 . 1 . 1 95 95 LEU H H 1 7.753 . . . . . . . . 102 L H . 51373 1 128 . 1 . 1 95 95 LEU N N 15 123.202 . . . . . . . . 102 L N . 51373 1 129 . 1 . 1 97 97 LYS H H 1 7.529 . . . . . . . . 104 K H . 51373 1 130 . 1 . 1 97 97 LYS N N 15 120.919 . . . . . . . . 104 K N . 51373 1 131 . 1 . 1 99 99 PHE H H 1 9.093 . . . . . . . . 106 F H . 51373 1 132 . 1 . 1 99 99 PHE N N 15 126.016 . . . . . . . . 106 F N . 51373 1 133 . 1 . 1 100 100 ASN H H 1 6.905 . . . . . . . . 107 N H . 51373 1 134 . 1 . 1 100 100 ASN N N 15 120.917 . . . . . . . . 107 N N . 51373 1 135 . 1 . 1 101 101 ARG H H 1 7.906 . . . . . . . . 108 R H . 51373 1 136 . 1 . 1 101 101 ARG N N 15 118.673 . . . . . . . . 108 R N . 51373 1 137 . 1 . 1 105 105 VAL H H 1 7.828 . . . . . . . . 112 V H . 51373 1 138 . 1 . 1 105 105 VAL N N 15 122.899 . . . . . . . . 112 V N . 51373 1 139 . 1 . 1 106 106 GLN H H 1 8.487 . . . . . . . . 113 Q H . 51373 1 140 . 1 . 1 106 106 GLN N N 15 127.751 . . . . . . . . 113 Q N . 51373 1 141 . 1 . 1 136 136 TRP H H 1 5.536 . . . . . . . . 167 W H . 51373 1 142 . 1 . 1 136 136 TRP N N 15 108.214 . . . . . . . . 167 W N . 51373 1 143 . 1 . 1 137 137 PHE H H 1 7.611 . . . . . . . . 168 F H . 51373 1 144 . 1 . 1 137 137 PHE N N 15 123.919 . . . . . . . . 168 F N . 51373 1 145 . 1 . 1 138 138 HIS H H 1 8.767 . . . . . . . . 169 H H . 51373 1 146 . 1 . 1 138 138 HIS N N 15 127.678 . . . . . . . . 169 H N . 51373 1 147 . 1 . 1 141 141 ILE H H 1 7.025 . . . . . . . . 172 I H . 51373 1 148 . 1 . 1 141 141 ILE N N 15 117.166 . . . . . . . . 172 I N . 51373 1 149 . 1 . 1 142 142 SER H H 1 8.995 . . . . . . . . 173 S H . 51373 1 150 . 1 . 1 142 142 SER N N 15 119.562 . . . . . . . . 173 S N . 51373 1 151 . 1 . 1 143 143 ARG H H 1 9.170 . . . . . . . . 174 R H . 51373 1 152 . 1 . 1 143 143 ARG N N 15 123.556 . . . . . . . . 174 R N . 51373 1 153 . 1 . 1 144 144 ASP H H 1 8.641 . . . . . . . . 175 D H . 51373 1 154 . 1 . 1 144 144 ASP N N 15 120.335 . . . . . . . . 175 D N . 51373 1 155 . 1 . 1 145 145 GLU H H 1 7.972 . . . . . . . . 176 E H . 51373 1 156 . 1 . 1 145 145 GLU N N 15 120.903 . . . . . . . . 176 E N . 51373 1 157 . 1 . 1 146 146 SER H H 1 8.831 . . . . . . . . 177 S H . 51373 1 158 . 1 . 1 146 146 SER N N 15 118.951 . . . . . . . . 177 S N . 51373 1 159 . 1 . 1 147 147 GLU H H 1 7.636 . . . . . . . . 178 E H . 51373 1 160 . 1 . 1 147 147 GLU N N 15 123.236 . . . . . . . . 178 E N . 51373 1 161 . 1 . 1 148 148 GLN H H 1 7.514 . . . . . . . . 179 Q H . 51373 1 162 . 1 . 1 148 148 GLN N N 15 115.677 . . . . . . . . 179 Q N . 51373 1 163 . 1 . 1 149 149 THR H H 1 7.887 . . . . . . . . 180 T H . 51373 1 164 . 1 . 1 149 149 THR N N 15 114.730 . . . . . . . . 180 T N . 51373 1 165 . 1 . 1 151 151 LEU H H 1 7.233 . . . . . . . . 182 L H . 51373 1 166 . 1 . 1 151 151 LEU N N 15 117.455 . . . . . . . . 182 L N . 51373 1 167 . 1 . 1 152 152 ILE H H 1 6.944 . . . . . . . . 183 I H . 51373 1 168 . 1 . 1 152 152 ILE N N 15 121.086 . . . . . . . . 183 I N . 51373 1 169 . 1 . 1 153 153 GLY H H 1 8.231 . . . . . . . . 184 G H . 51373 1 170 . 1 . 1 153 153 GLY N N 15 113.593 . . . . . . . . 184 G N . 51373 1 171 . 1 . 1 156 156 THR H H 1 7.086 . . . . . . . . 187 T H . 51373 1 172 . 1 . 1 156 156 THR N N 15 119.348 . . . . . . . . 187 T N . 51373 1 173 . 1 . 1 158 158 GLY H H 1 9.627 . . . . . . . . 189 G H . 51373 1 174 . 1 . 1 158 158 GLY N N 15 113.551 . . . . . . . . 189 G N . 51373 1 175 . 1 . 1 159 159 LYS H H 1 7.586 . . . . . . . . 190 K H . 51373 1 176 . 1 . 1 159 159 LYS N N 15 124.544 . . . . . . . . 190 K N . 51373 1 177 . 1 . 1 161 161 LEU H H 1 8.780 . . . . . . . . 192 L H . 51373 1 178 . 1 . 1 161 161 LEU N N 15 115.414 . . . . . . . . 192 L N . 51373 1 179 . 1 . 1 162 162 ILE H H 1 9.268 . . . . . . . . 193 I H . 51373 1 180 . 1 . 1 162 162 ILE N N 15 120.180 . . . . . . . . 193 I N . 51373 1 181 . 1 . 1 164 164 ALA H H 1 8.422 . . . . . . . . 195 A H . 51373 1 182 . 1 . 1 164 164 ALA N N 15 125.534 . . . . . . . . 195 A N . 51373 1 183 . 1 . 1 165 165 ARG H H 1 7.972 . . . . . . . . 196 R H . 51373 1 184 . 1 . 1 165 165 ARG N N 15 120.903 . . . . . . . . 196 R N . 51373 1 185 . 1 . 1 169 169 GLY H H 1 8.295 . . . . . . . . 200 G H . 51373 1 186 . 1 . 1 169 169 GLY N N 15 112.297 . . . . . . . . 200 G N . 51373 1 187 . 1 . 1 172 172 ALA H H 1 9.411 . . . . . . . . 203 A H . 51373 1 188 . 1 . 1 172 172 ALA N N 15 121.494 . . . . . . . . 203 A N . 51373 1 189 . 1 . 1 173 173 LEU H H 1 9.532 . . . . . . . . 204 L H . 51373 1 190 . 1 . 1 173 173 LEU N N 15 125.639 . . . . . . . . 204 L N . 51373 1 191 . 1 . 1 174 174 CYS H H 1 9.072 . . . . . . . . 205 C H . 51373 1 192 . 1 . 1 174 174 CYS N N 15 128.475 . . . . . . . . 205 C N . 51373 1 193 . 1 . 1 175 175 LEU H H 1 8.889 . . . . . . . . 206 L H . 51373 1 194 . 1 . 1 175 175 LEU N N 15 124.232 . . . . . . . . 206 L N . 51373 1 195 . 1 . 1 176 176 LEU H H 1 8.675 . . . . . . . . 207 L H . 51373 1 196 . 1 . 1 176 176 LEU N N 15 126.460 . . . . . . . . 207 L N . 51373 1 197 . 1 . 1 177 177 HIS H H 1 9.291 . . . . . . . . 208 H H . 51373 1 198 . 1 . 1 177 177 HIS N N 15 128.484 . . . . . . . . 208 H N . 51373 1 199 . 1 . 1 179 179 GLY H H 1 8.010 . . . . . . . . 210 G H . 51373 1 200 . 1 . 1 179 179 GLY N N 15 103.260 . . . . . . . . 210 G N . 51373 1 201 . 1 . 1 182 182 LEU H H 1 9.137 . . . . . . . . 213 L H . 51373 1 202 . 1 . 1 182 182 LEU N N 15 129.706 . . . . . . . . 213 L N . 51373 1 203 . 1 . 1 183 183 HIS H H 1 8.281 . . . . . . . . 214 H H . 51373 1 204 . 1 . 1 183 183 HIS N N 15 119.900 . . . . . . . . 214 H N . 51373 1 205 . 1 . 1 186 186 ILE H H 1 7.971 . . . . . . . . 217 I H . 51373 1 206 . 1 . 1 186 186 ILE N N 15 121.413 . . . . . . . . 217 I N . 51373 1 207 . 1 . 1 187 187 ASP H H 1 8.537 . . . . . . . . 218 D H . 51373 1 208 . 1 . 1 187 187 ASP N N 15 125.682 . . . . . . . . 218 D N . 51373 1 209 . 1 . 1 188 188 ARG H H 1 8.448 . . . . . . . . 219 R H . 51373 1 210 . 1 . 1 188 188 ARG N N 15 122.760 . . . . . . . . 219 R N . 51373 1 211 . 1 . 1 189 189 ASP H H 1 8.767 . . . . . . . . 220 D H . 51373 1 212 . 1 . 1 189 189 ASP N N 15 127.678 . . . . . . . . 220 D N . 51373 1 213 . 1 . 1 191 191 THR H H 1 8.337 . . . . . . . . 222 T H . 51373 1 214 . 1 . 1 191 191 THR N N 15 111.226 . . . . . . . . 222 T N . 51373 1 215 . 1 . 1 192 192 GLY H H 1 8.013 . . . . . . . . 223 G H . 51373 1 216 . 1 . 1 192 192 GLY N N 15 110.363 . . . . . . . . 223 G N . 51373 1 217 . 1 . 1 193 193 LYS H H 1 7.753 . . . . . . . . 224 K H . 51373 1 218 . 1 . 1 193 193 LYS N N 15 121.440 . . . . . . . . 224 K N . 51373 1 219 . 1 . 1 194 194 LEU H H 1 9.234 . . . . . . . . 225 L H . 51373 1 220 . 1 . 1 194 194 LEU N N 15 122.850 . . . . . . . . 225 L N . 51373 1 221 . 1 . 1 195 195 SER H H 1 8.337 . . . . . . . . 226 S H . 51373 1 222 . 1 . 1 195 195 SER N N 15 111.226 . . . . . . . . 226 S N . 51373 1 223 . 1 . 1 196 196 ILE H H 1 9.407 . . . . . . . . 227 I H . 51373 1 224 . 1 . 1 196 196 ILE N N 15 120.684 . . . . . . . . 227 I N . 51373 1 225 . 1 . 1 199 199 GLY H H 1 9.250 . . . . . . . . 230 G H . 51373 1 226 . 1 . 1 199 199 GLY N N 15 110.459 . . . . . . . . 230 G N . 51373 1 227 . 1 . 1 208 208 LEU H H 1 6.550 . . . . . . . . 239 L H . 51373 1 228 . 1 . 1 208 208 LEU N N 15 124.381 . . . . . . . . 239 L N . 51373 1 229 . 1 . 1 211 211 HIS H H 1 7.508 . . . . . . . . 242 H H . 51373 1 230 . 1 . 1 211 211 HIS N N 15 119.466 . . . . . . . . 242 H N . 51373 1 231 . 1 . 1 212 212 TYR H H 1 7.496 . . . . . . . . 243 Y H . 51373 1 232 . 1 . 1 212 212 TYR N N 15 115.648 . . . . . . . . 243 Y N . 51373 1 233 . 1 . 1 213 213 SER H H 1 7.112 . . . . . . . . 244 S H . 51373 1 234 . 1 . 1 213 213 SER N N 15 113.018 . . . . . . . . 244 S N . 51373 1 235 . 1 . 1 218 218 GLY H H 1 8.087 . . . . . . . . 249 G H . 51373 1 236 . 1 . 1 218 218 GLY N N 15 104.424 . . . . . . . . 249 G N . 51373 1 237 . 1 . 1 224 224 THR H H 1 8.415 . . . . . . . . 255 T H . 51373 1 238 . 1 . 1 224 224 THR N N 15 112.007 . . . . . . . . 255 T N . 51373 1 239 . 1 . 1 227 227 CYS H H 1 8.612 . . . . . . . . 258 C H . 51373 1 240 . 1 . 1 227 227 CYS N N 15 124.113 . . . . . . . . 258 C N . 51373 1 241 . 1 . 1 229 229 LYS H H 1 8.297 . . . . . . . . 260 K H . 51373 1 242 . 1 . 1 229 229 LYS N N 15 125.113 . . . . . . . . 260 K N . 51373 1 243 . 1 . 1 230 230 ILE H H 1 8.238 . . . . . . . . 261 I H . 51373 1 244 . 1 . 1 230 230 ILE N N 15 125.237 . . . . . . . . 261 I N . 51373 1 245 . 1 . 1 231 231 GLY H H 1 8.346 . . . . . . . . 262 G H . 51373 1 246 . 1 . 1 231 231 GLY N N 15 114.131 . . . . . . . . 262 G N . 51373 1 247 . 1 . 1 232 232 THR H H 1 7.830 . . . . . . . . 263 T H . 51373 1 248 . 1 . 1 232 232 THR N N 15 114.148 . . . . . . . . 263 T N . 51373 1 stop_ save_