################################### # 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 51415 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'BD1 chemical shifts' _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 '3D CBCANH' . . . 51415 1 2 '3D CBCA(CO)NH' . . . 51415 1 3 '3D HN(CO)CA' . . . 51415 1 4 '3D HNCA' . . . 51415 1 5 '3D HNCO' . . . 51415 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 . . 51415 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 1 1 ASN H H 1 8.522 . . 1 . . . . . 44 ASN H . 51415 1 2 . 1 . 1 1 1 ASN N N 15 120.892 . . 1 . . . . . 44 ASN N . 51415 1 3 . 1 . 1 6 6 GLU H H 1 8.627 . . 1 . . . . . 49 GLU H . 51415 1 4 . 1 . 1 6 6 GLU N N 15 120.955 . . 1 . . . . . 49 GLU N . 51415 1 5 . 1 . 1 7 7 THR H H 1 8.419 . . 1 . . . . . 50 THR H . 51415 1 6 . 1 . 1 7 7 THR N N 15 113.307 . . 1 . . . . . 50 THR N . 51415 1 7 . 1 . 1 8 8 SER H H 1 8.113 . . 1 . . . . . 51 SER H . 51415 1 8 . 1 . 1 8 8 SER N N 15 116.917 . . 1 . . . . . 51 SER N . 51415 1 9 . 1 . 1 9 9 ASN H H 1 8.255 . . 1 . . . . . 52 ASN H . 51415 1 10 . 1 . 1 9 9 ASN N N 15 120.184 . . 1 . . . . . 52 ASN N . 51415 1 11 . 1 . 1 11 11 ASN H H 1 8.347 . . 1 . . . . . 54 ASN H . 51415 1 12 . 1 . 1 11 11 ASN N N 15 117.22 . . 1 . . . . . 54 ASN N . 51415 1 13 . 1 . 1 12 12 LYS H H 1 8.004 . . 1 . . . . . 55 LYS H . 51415 1 14 . 1 . 1 12 12 LYS N N 15 122.783 . . 1 . . . . . 55 LYS N . 51415 1 15 . 1 . 1 14 14 LYS H H 1 8.43 . . 1 . . . . . 57 LYS H . 51415 1 16 . 1 . 1 14 14 LYS N N 15 121.484 . . 1 . . . . . 57 LYS N . 51415 1 17 . 1 . 1 15 15 ARG H H 1 8.488 . . 1 . . . . . 58 ARG H . 51415 1 18 . 1 . 1 15 15 ARG N N 15 122.701 . . 1 . . . . . 58 ARG N . 51415 1 19 . 1 . 1 16 16 GLN H H 1 8.407 . . 1 . . . . . 59 GLN H . 51415 1 20 . 1 . 1 16 16 GLN N N 15 124.382 . . 1 . . . . . 59 GLN N . 51415 1 21 . 1 . 1 17 17 THR H H 1 7.662 . . 1 . . . . . 60 THR H . 51415 1 22 . 1 . 1 17 17 THR N N 15 115.309 . . 1 . . . . . 60 THR N . 51415 1 23 . 1 . 1 18 18 ASN H H 1 9.799 . . 1 . . . . . 61 ASN H . 51415 1 24 . 1 . 1 18 18 ASN N N 15 122.075 . . 1 . . . . . 61 ASN N . 51415 1 25 . 1 . 1 19 19 GLN H H 1 8.728 . . 1 . . . . . 62 GLN H . 51415 1 26 . 1 . 1 19 19 GLN N N 15 120.332 . . 1 . . . . . 62 GLN N . 51415 1 27 . 1 . 1 21 21 GLN H H 1 8.597 . . 1 . . . . . 64 GLN H . 51415 1 28 . 1 . 1 21 21 GLN N N 15 119.409 . . 1 . . . . . 64 GLN N . 51415 1 29 . 1 . 1 22 22 TYR H H 1 7.946 . . 1 . . . . . 65 TYR H . 51415 1 30 . 1 . 1 22 22 TYR N N 15 121.515 . . 1 . . . . . 65 TYR N . 51415 1 31 . 1 . 1 23 23 LEU H H 1 8.59 . . 1 . . . . . 66 LEU H . 51415 1 32 . 1 . 1 23 23 LEU N N 15 121.554 . . 1 . . . . . 66 LEU N . 51415 1 33 . 1 . 1 24 24 LEU H H 1 7.939 . . 1 . . . . . 67 LEU H . 51415 1 34 . 1 . 1 24 24 LEU N N 15 118.509 . . 1 . . . . . 67 LEU N . 51415 1 35 . 1 . 1 25 25 ARG H H 1 8.913 . . 1 . . . . . 68 ARG H . 51415 1 36 . 1 . 1 25 25 ARG N N 15 115.267 . . 1 . . . . . 68 ARG N . 51415 1 37 . 1 . 1 26 26 VAL H H 1 8.124 . . 1 . . . . . 69 VAL H . 51415 1 38 . 1 . 1 26 26 VAL N N 15 115.304 . . 1 . . . . . 69 VAL N . 51415 1 39 . 1 . 1 27 27 VAL H H 1 7.499 . . 1 . . . . . 70 VAL H . 51415 1 40 . 1 . 1 27 27 VAL N N 15 120.212 . . 1 . . . . . 70 VAL N . 51415 1 41 . 1 . 1 28 28 LEU H H 1 9.514 . . 1 . . . . . 71 LEU H . 51415 1 42 . 1 . 1 28 28 LEU N N 15 119.685 . . 1 . . . . . 71 LEU N . 51415 1 43 . 1 . 1 29 29 LYS H H 1 6.594 . . 1 . . . . . 72 LYS H . 51415 1 44 . 1 . 1 29 29 LYS N N 15 115.335 . . 1 . . . . . 72 LYS N . 51415 1 45 . 1 . 1 30 30 THR H H 1 7.375 . . 1 . . . . . 73 THR H . 51415 1 46 . 1 . 1 30 30 THR N N 15 112.289 . . 1 . . . . . 73 THR N . 51415 1 47 . 1 . 1 31 31 LEU H H 1 8.062 . . 1 . . . . . 74 LEU H . 51415 1 48 . 1 . 1 31 31 LEU N N 15 121.456 . . 1 . . . . . 74 LEU N . 51415 1 49 . 1 . 1 32 32 TRP H H 1 9.289 . . 1 . . . . . 75 TRP H . 51415 1 50 . 1 . 1 32 32 TRP N N 15 117.064 . . 1 . . . . . 75 TRP N . 51415 1 51 . 1 . 1 33 33 LYS H H 1 7.117 . . 1 . . . . . 76 LYS H . 51415 1 52 . 1 . 1 33 33 LYS N N 15 109.41 . . 1 . . . . . 76 LYS N . 51415 1 53 . 1 . 1 34 34 HIS H H 1 7.648 . . 1 . . . . . 77 HIS H . 51415 1 54 . 1 . 1 34 34 HIS N N 15 123.714 . . 1 . . . . . 77 HIS N . 51415 1 55 . 1 . 1 35 35 GLN H H 1 8.496 . . 1 . . . . . 78 GLN H . 51415 1 56 . 1 . 1 35 35 GLN N N 15 128.186 . . 1 . . . . . 78 GLN N . 51415 1 57 . 1 . 1 37 37 ALA H H 1 8.109 . . 1 . . . . . 80 ALA H . 51415 1 58 . 1 . 1 37 37 ALA N N 15 117.301 . . 1 . . . . . 80 ALA N . 51415 1 59 . 1 . 1 38 38 TRP H H 1 7.552 . . 1 . . . . . 81 TRP H . 51415 1 60 . 1 . 1 38 38 TRP N N 15 115.323 . . 1 . . . . . 81 TRP N . 51415 1 61 . 1 . 1 40 40 PHE H H 1 7.899 . . 1 . . . . . 83 PHE H . 51415 1 62 . 1 . 1 40 40 PHE N N 15 111.851 . . 1 . . . . . 83 PHE N . 51415 1 63 . 1 . 1 42 42 GLN H H 1 7.396 . . 1 . . . . . 85 GLN H . 51415 1 64 . 1 . 1 42 42 GLN N N 15 113.381 . . 1 . . . . . 85 GLN N . 51415 1 65 . 1 . 1 44 44 VAL H H 1 8.655 . . 1 . . . . . 87 VAL H . 51415 1 66 . 1 . 1 44 44 VAL N N 15 124.937 . . 1 . . . . . 87 VAL N . 51415 1 67 . 1 . 1 45 45 ASP H H 1 8.42 . . 1 . . . . . 88 ASP H . 51415 1 68 . 1 . 1 45 45 ASP N N 15 131.059 . . 1 . . . . . 88 ASP N . 51415 1 69 . 1 . 1 46 46 ALA H H 1 8.232 . . 1 . . . . . 89 ALA H . 51415 1 70 . 1 . 1 46 46 ALA N N 15 126.25 . . 1 . . . . . 89 ALA N . 51415 1 71 . 1 . 1 47 47 VAL H H 1 8.022 . . 1 . . . . . 90 VAL H . 51415 1 72 . 1 . 1 47 47 VAL N N 15 119.068 . . 1 . . . . . 90 VAL N . 51415 1 73 . 1 . 1 48 48 LYS H H 1 7.785 . . 1 . . . . . 91 LYS H . 51415 1 74 . 1 . 1 48 48 LYS N N 15 122.439 . . 1 . . . . . 91 LYS N . 51415 1 75 . 1 . 1 49 49 LEU H H 1 7.912 . . 1 . . . . . 92 LEU H . 51415 1 76 . 1 . 1 49 49 LEU N N 15 114.717 . . 1 . . . . . 92 LEU N . 51415 1 77 . 1 . 1 50 50 ASN H H 1 7.493 . . 1 . . . . . 93 ASN H . 51415 1 78 . 1 . 1 50 50 ASN N N 15 116.461 . . 1 . . . . . 93 ASN N . 51415 1 79 . 1 . 1 54 54 TYR H H 1 7.625 . . 1 . . . . . 97 TYR H . 51415 1 80 . 1 . 1 54 54 TYR N N 15 125.054 . . 1 . . . . . 97 TYR N . 51415 1 81 . 1 . 1 55 55 TYR H H 1 8.284 . . 1 . . . . . 98 TYR H . 51415 1 82 . 1 . 1 55 55 TYR N N 15 112.059 . . 1 . . . . . 98 TYR N . 51415 1 83 . 1 . 1 56 56 LYS H H 1 7.22 . . 1 . . . . . 99 LYS H . 51415 1 84 . 1 . 1 56 56 LYS N N 15 117.946 . . 1 . . . . . 99 LYS N . 51415 1 85 . 1 . 1 57 57 ILE H H 1 7.297 . . 1 . . . . . 100 ILE H . 51415 1 86 . 1 . 1 57 57 ILE N N 15 119.122 . . 1 . . . . . 100 ILE N . 51415 1 87 . 1 . 1 58 58 ILE H H 1 8.366 . . 1 . . . . . 101 ILE H . 51415 1 88 . 1 . 1 58 58 ILE N N 15 121.502 . . 1 . . . . . 101 ILE N . 51415 1 89 . 1 . 1 59 59 LYS H H 1 7.774 . . 1 . . . . . 102 LYS H . 51415 1 90 . 1 . 1 59 59 LYS N N 15 124.771 . . 1 . . . . . 102 LYS N . 51415 1 91 . 1 . 1 60 60 THR H H 1 8.284 . . 1 . . . . . 103 THR H . 51415 1 92 . 1 . 1 60 60 THR N N 15 112.059 . . 1 . . . . . 103 THR N . 51415 1 93 . 1 . 1 62 62 MET H H 1 8.027 . . 1 . . . . . 105 MET H . 51415 1 94 . 1 . 1 62 62 MET N N 15 118.988 . . 1 . . . . . 105 MET N . 51415 1 95 . 1 . 1 63 63 ASP H H 1 7.329 . . 1 . . . . . 106 ASP H . 51415 1 96 . 1 . 1 63 63 ASP N N 15 119.882 . . 1 . . . . . 106 ASP N . 51415 1 97 . 1 . 1 64 64 MET H H 1 9.194 . . 1 . . . . . 107 MET H . 51415 1 98 . 1 . 1 64 64 MET N N 15 119.003 . . 1 . . . . . 107 MET N . 51415 1 99 . 1 . 1 65 65 GLY H H 1 8.763 . . 1 . . . . . 108 GLY H . 51415 1 100 . 1 . 1 65 65 GLY N N 15 113.024 . . 1 . . . . . 108 GLY N . 51415 1 101 . 1 . 1 66 66 THR H H 1 8.38 . . 1 . . . . . 109 THR H . 51415 1 102 . 1 . 1 66 66 THR N N 15 124.361 . . 1 . . . . . 109 THR N . 51415 1 103 . 1 . 1 67 67 ILE H H 1 7.311 . . 1 . . . . . 110 ILE H . 51415 1 104 . 1 . 1 67 67 ILE N N 15 121.933 . . 1 . . . . . 110 ILE N . 51415 1 105 . 1 . 1 68 68 LYS H H 1 8.491 . . 1 . . . . . 111 LYS H . 51415 1 106 . 1 . 1 68 68 LYS N N 15 120.112 . . 1 . . . . . 111 LYS N . 51415 1 107 . 1 . 1 69 69 LYS H H 1 7.84 . . 1 . . . . . 112 LYS H . 51415 1 108 . 1 . 1 69 69 LYS N N 15 117.465 . . 1 . . . . . 112 LYS N . 51415 1 109 . 1 . 1 70 70 ARG H H 1 8.376 . . 1 . . . . . 113 ARG H . 51415 1 110 . 1 . 1 70 70 ARG N N 15 119.922 . . 1 . . . . . 113 ARG N . 51415 1 111 . 1 . 1 71 71 LEU H H 1 8.851 . . 1 . . . . . 114 LEU H . 51415 1 112 . 1 . 1 71 71 LEU N N 15 120.933 . . 1 . . . . . 114 LEU N . 51415 1 113 . 1 . 1 72 72 GLU H H 1 8.709 . . 1 . . . . . 115 GLU H . 51415 1 114 . 1 . 1 72 72 GLU N N 15 119.436 . . 1 . . . . . 115 GLU N . 51415 1 115 . 1 . 1 73 73 ASN H H 1 8.038 . . 1 . . . . . 116 ASN H . 51415 1 116 . 1 . 1 73 73 ASN N N 15 114.91 . . 1 . . . . . 116 ASN N . 51415 1 117 . 1 . 1 74 74 ASN H H 1 7.915 . . 1 . . . . . 117 ASN H . 51415 1 118 . 1 . 1 74 74 ASN N N 15 115.769 . . 1 . . . . . 117 ASN N . 51415 1 119 . 1 . 1 75 75 TYR H H 1 8.488 . . 1 . . . . . 118 TYR H . 51415 1 120 . 1 . 1 75 75 TYR N N 15 116.866 . . 1 . . . . . 118 TYR N . 51415 1 121 . 1 . 1 76 76 TYR H H 1 7.784 . . 1 . . . . . 119 TYR H . 51415 1 122 . 1 . 1 76 76 TYR N N 15 114.647 . . 1 . . . . . 119 TYR N . 51415 1 123 . 1 . 1 77 77 TRP H H 1 9.8 . . 1 . . . . . 120 TRP H . 51415 1 124 . 1 . 1 77 77 TRP N N 15 122.138 . . 1 . . . . . 120 TRP N . 51415 1 125 . 1 . 1 78 78 ASN H H 1 7.899 . . 1 . . . . . 121 ASN H . 51415 1 126 . 1 . 1 78 78 ASN N N 15 111.851 . . 1 . . . . . 121 ASN N . 51415 1 127 . 1 . 1 79 79 ALA H H 1 9.022 . . 1 . . . . . 122 ALA H . 51415 1 128 . 1 . 1 79 79 ALA N N 15 121.44 . . 1 . . . . . 122 ALA N . 51415 1 129 . 1 . 1 80 80 GLN H H 1 8.695 . . 1 . . . . . 123 GLN H . 51415 1 130 . 1 . 1 80 80 GLN N N 15 118.053 . . 1 . . . . . 123 GLN N . 51415 1 131 . 1 . 1 81 81 GLU H H 1 7.882 . . 1 . . . . . 124 GLU H . 51415 1 132 . 1 . 1 81 81 GLU N N 15 118.538 . . 1 . . . . . 124 GLU N . 51415 1 133 . 1 . 1 82 82 CYS H H 1 6.614 . . 1 . . . . . 125 CYS H . 51415 1 134 . 1 . 1 82 82 CYS N N 15 118.749 . . 1 . . . . . 125 CYS N . 51415 1 135 . 1 . 1 83 83 ILE H H 1 8.522 . . 1 . . . . . 126 ILE H . 51415 1 136 . 1 . 1 83 83 ILE N N 15 120.892 . . 1 . . . . . 126 ILE N . 51415 1 137 . 1 . 1 84 84 GLN H H 1 8.401 . . 1 . . . . . 127 GLN H . 51415 1 138 . 1 . 1 84 84 GLN N N 15 117.864 . . 1 . . . . . 127 GLN N . 51415 1 139 . 1 . 1 85 85 ASP H H 1 7.541 . . 1 . . . . . 128 ASP H . 51415 1 140 . 1 . 1 85 85 ASP N N 15 121.981 . . 1 . . . . . 128 ASP N . 51415 1 141 . 1 . 1 86 86 PHE H H 1 8.053 . . 1 . . . . . 129 PHE H . 51415 1 142 . 1 . 1 86 86 PHE N N 15 119.963 . . 1 . . . . . 129 PHE N . 51415 1 143 . 1 . 1 87 87 ASN H H 1 8.58 . . 1 . . . . . 130 ASN H . 51415 1 144 . 1 . 1 87 87 ASN N N 15 116.28 . . 1 . . . . . 130 ASN N . 51415 1 145 . 1 . 1 88 88 THR H H 1 8.93 . . 1 . . . . . 131 THR H . 51415 1 146 . 1 . 1 88 88 THR N N 15 120.879 . . 1 . . . . . 131 THR N . 51415 1 147 . 1 . 1 89 89 MET H H 1 7.703 . . 1 . . . . . 132 MET H . 51415 1 148 . 1 . 1 89 89 MET N N 15 120.484 . . 1 . . . . . 132 MET N . 51415 1 149 . 1 . 1 90 90 PHE H H 1 7.882 . . 1 . . . . . 133 PHE H . 51415 1 150 . 1 . 1 90 90 PHE N N 15 118.538 . . 1 . . . . . 133 PHE N . 51415 1 151 . 1 . 1 91 91 THR H H 1 8.752 . . 1 . . . . . 134 THR H . 51415 1 152 . 1 . 1 91 91 THR N N 15 113.932 . . 1 . . . . . 134 THR N . 51415 1 153 . 1 . 1 92 92 ASN H H 1 8.842 . . 1 . . . . . 135 ASN H . 51415 1 154 . 1 . 1 92 92 ASN N N 15 119.276 . . 1 . . . . . 135 ASN N . 51415 1 155 . 1 . 1 93 93 CYS H H 1 7.018 . . 1 . . . . . 136 CYS H . 51415 1 156 . 1 . 1 93 93 CYS N N 15 118.184 . . 1 . . . . . 136 CYS N . 51415 1 157 . 1 . 1 96 96 TYR H H 1 8.022 . . 1 . . . . . 139 TYR H . 51415 1 158 . 1 . 1 96 96 TYR N N 15 119.068 . . 1 . . . . . 139 TYR N . 51415 1 159 . 1 . 1 97 97 ASN H H 1 7.56 . . 1 . . . . . 140 ASN H . 51415 1 160 . 1 . 1 97 97 ASN N N 15 113.559 . . 1 . . . . . 140 ASN N . 51415 1 161 . 1 . 1 98 98 LYS H H 1 8.491 . . 1 . . . . . 141 LYS H . 51415 1 162 . 1 . 1 98 98 LYS N N 15 120.112 . . 1 . . . . . 141 LYS N . 51415 1 163 . 1 . 1 100 100 GLY H H 1 8.307 . . 1 . . . . . 143 GLY H . 51415 1 164 . 1 . 1 100 100 GLY N N 15 109.777 . . 1 . . . . . 143 GLY N . 51415 1 165 . 1 . 1 101 101 ASP H H 1 8.008 . . 1 . . . . . 144 ASP H . 51415 1 166 . 1 . 1 101 101 ASP N N 15 122.131 . . 1 . . . . . 144 ASP N . 51415 1 167 . 1 . 1 103 103 ILE H H 1 8.401 . . 1 . . . . . 146 ILE H . 51415 1 168 . 1 . 1 103 103 ILE N N 15 117.864 . . 1 . . . . . 146 ILE N . 51415 1 169 . 1 . 1 104 104 VAL H H 1 6.974 . . 1 . . . . . 147 VAL H . 51415 1 170 . 1 . 1 104 104 VAL N N 15 122.817 . . 1 . . . . . 147 VAL N . 51415 1 171 . 1 . 1 105 105 LEU H H 1 7.496 . . 1 . . . . . 148 LEU H . 51415 1 172 . 1 . 1 105 105 LEU N N 15 119.719 . . 1 . . . . . 148 LEU N . 51415 1 173 . 1 . 1 106 106 MET H H 1 8.03 . . 1 . . . . . 149 MET H . 51415 1 174 . 1 . 1 106 106 MET N N 15 119.039 . . 1 . . . . . 149 MET N . 51415 1 175 . 1 . 1 107 107 ALA H H 1 8.43 . . 1 . . . . . 150 ALA H . 51415 1 176 . 1 . 1 107 107 ALA N N 15 121.484 . . 1 . . . . . 150 ALA N . 51415 1 177 . 1 . 1 108 108 GLU H H 1 8.947 . . 1 . . . . . 151 GLU H . 51415 1 178 . 1 . 1 108 108 GLU N N 15 116.782 . . 1 . . . . . 151 GLU N . 51415 1 179 . 1 . 1 109 109 ALA H H 1 7.665 . . 1 . . . . . 152 ALA H . 51415 1 180 . 1 . 1 109 109 ALA N N 15 121.394 . . 1 . . . . . 152 ALA N . 51415 1 181 . 1 . 1 110 110 LEU H H 1 8.003 . . 1 . . . . . 153 LEU H . 51415 1 182 . 1 . 1 110 110 LEU N N 15 119.963 . . 1 . . . . . 153 LEU N . 51415 1 183 . 1 . 1 111 111 GLU H H 1 9.134 . . 1 . . . . . 154 GLU H . 51415 1 184 . 1 . 1 111 111 GLU N N 15 122.373 . . 1 . . . . . 154 GLU N . 51415 1 185 . 1 . 1 112 112 LYS H H 1 7.882 . . 1 . . . . . 155 LYS H . 51415 1 186 . 1 . 1 112 112 LYS N N 15 118.538 . . 1 . . . . . 155 LYS N . 51415 1 187 . 1 . 1 113 113 LEU H H 1 7.196 . . 1 . . . . . 156 LEU H . 51415 1 188 . 1 . 1 113 113 LEU N N 15 120.594 . . 1 . . . . . 156 LEU N . 51415 1 189 . 1 . 1 114 114 PHE H H 1 8.851 . . 1 . . . . . 157 PHE H . 51415 1 190 . 1 . 1 114 114 PHE N N 15 120.933 . . 1 . . . . . 157 PHE N . 51415 1 191 . 1 . 1 115 115 LEU H H 1 8.733 . . 1 . . . . . 158 LEU H . 51415 1 192 . 1 . 1 115 115 LEU N N 15 118.28 . . 1 . . . . . 158 LEU N . 51415 1 193 . 1 . 1 116 116 GLN H H 1 7.684 . . 1 . . . . . 159 GLN H . 51415 1 194 . 1 . 1 116 116 GLN N N 15 118.351 . . 1 . . . . . 159 GLN N . 51415 1 195 . 1 . 1 117 117 LYS H H 1 8.124 . . 1 . . . . . 160 LYS H . 51415 1 196 . 1 . 1 117 117 LYS N N 15 115.304 . . 1 . . . . . 160 LYS N . 51415 1 197 . 1 . 1 118 118 ILE H H 1 8.609 . . 1 . . . . . 161 ILE H . 51415 1 198 . 1 . 1 118 118 ILE N N 15 118.486 . . 1 . . . . . 161 ILE N . 51415 1 199 . 1 . 1 119 119 ASN H H 1 7.519 . . 1 . . . . . 162 ASN H . 51415 1 200 . 1 . 1 119 119 ASN N N 15 120.983 . . 1 . . . . . 162 ASN N . 51415 1 201 . 1 . 1 120 120 GLU H H 1 7.022 . . 1 . . . . . 163 GLU H . 51415 1 202 . 1 . 1 120 120 GLU N N 15 115.989 . . 1 . . . . . 163 GLU N . 51415 1 203 . 1 . 1 121 121 LEU H H 1 6.941 . . 1 . . . . . 164 LEU H . 51415 1 204 . 1 . 1 121 121 LEU N N 15 121.129 . . 1 . . . . . 164 LEU N . 51415 1 205 . 1 . 1 123 123 THR H H 1 8.183 . . 1 . . . . . 166 THR H . 51415 1 206 . 1 . 1 123 123 THR N N 15 113.766 . . 1 . . . . . 166 THR N . 51415 1 207 . 1 . 1 124 124 GLU H H 1 8.456 . . 1 . . . . . 167 GLU H . 51415 1 208 . 1 . 1 124 124 GLU N N 15 124.027 . . 1 . . . . . 167 GLU N . 51415 1 209 . 1 . 1 125 125 GLU H H 1 8.259 . . 1 . . . . . 168 GLU H . 51415 1 210 . 1 . 1 125 125 GLU N N 15 128.104 . . 1 . . . . . 168 GLU N . 51415 1 stop_ save_