################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 26897 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chemical_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' . . . 26897 1 2 '3D HNCA' . . . 26897 1 3 '3D HN(CO)CA' . . . 26897 1 4 '3D CBCA(CO)NH' . . . 26897 1 5 '3D HNCACB' . . . 26897 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 14 14 LEU H H 1 7.995 . . 1 . . . . . 14 LEU H . 26897 1 2 . 1 . 1 14 14 LEU N N 15 121.616 . . 1 . . . . . 14 LEU N . 26897 1 3 . 1 . 1 15 15 VAL H H 1 8.050 . . 1 . . . . . 15 VAL H . 26897 1 4 . 1 . 1 15 15 VAL N N 15 122.670 . . 1 . . . . . 15 VAL N . 26897 1 5 . 1 . 1 22 22 ALA H H 1 8.289 . . 1 . . . . . 22 ALA H . 26897 1 6 . 1 . 1 22 22 ALA N N 15 125.448 . . 1 . . . . . 22 ALA N . 26897 1 7 . 1 . 1 23 23 SER H H 1 8.328 . . 1 . . . . . 23 SER H . 26897 1 8 . 1 . 1 23 23 SER N N 15 115.521 . . 1 . . . . . 23 SER N . 26897 1 9 . 1 . 1 25 25 ASP H H 1 8.292 . . 1 . . . . . 25 ASP H . 26897 1 10 . 1 . 1 25 25 ASP N N 15 122.559 . . 1 . . . . . 25 ASP N . 26897 1 11 . 1 . 1 26 26 SER H H 1 8.270 . . 1 . . . . . 26 SER H . 26897 1 12 . 1 . 1 26 26 SER N N 15 116.446 . . 1 . . . . . 26 SER N . 26897 1 13 . 1 . 1 27 27 GLU H H 1 8.419 . . 1 . . . . . 27 GLU H . 26897 1 14 . 1 . 1 27 27 GLU N N 15 122.665 . . 1 . . . . . 27 GLU N . 26897 1 15 . 1 . 1 28 28 SER H H 1 8.175 . . 1 . . . . . 28 SER H . 26897 1 16 . 1 . 1 28 28 SER N N 15 115.977 . . 1 . . . . . 28 SER N . 26897 1 17 . 1 . 1 29 29 GLU H H 1 8.314 . . 1 . . . . . 29 GLU H . 26897 1 18 . 1 . 1 29 29 GLU N N 15 122.497 . . 1 . . . . . 29 GLU N . 26897 1 19 . 1 . 1 30 30 THR H H 1 8.081 . . 1 . . . . . 30 THR H . 26897 1 20 . 1 . 1 30 30 THR N N 15 114.595 . . 1 . . . . . 30 THR N . 26897 1 21 . 1 . 1 31 31 ARG H H 1 8.159 . . 1 . . . . . 31 ARG H . 26897 1 22 . 1 . 1 31 31 ARG N N 15 123.504 . . 1 . . . . . 31 ARG N . 26897 1 23 . 1 . 1 32 32 VAL H H 1 8.031 . . 1 . . . . . 32 VAL H . 26897 1 24 . 1 . 1 32 32 VAL N N 15 120.905 . . 1 . . . . . 32 VAL N . 26897 1 25 . 1 . 1 33 33 LYS H H 1 8.310 . . 1 . . . . . 33 LYS H . 26897 1 26 . 1 . 1 33 33 LYS N N 15 124.945 . . 1 . . . . . 33 LYS N . 26897 1 27 . 1 . 1 35 35 VAL H H 1 8.125 . . 1 . . . . . 35 VAL H . 26897 1 28 . 1 . 1 35 35 VAL N N 15 121.880 . . 1 . . . . . 35 VAL N . 26897 1 29 . 1 . 1 42 42 ILE H H 1 8.164 . . 1 . . . . . 42 ILE H . 26897 1 30 . 1 . 1 42 42 ILE N N 15 120.991 . . 1 . . . . . 42 ILE N . 26897 1 31 . 1 . 1 43 43 GLY H H 1 8.386 . . 1 . . . . . 43 GLY H . 26897 1 32 . 1 . 1 43 43 GLY N N 15 112.695 . . 1 . . . . . 43 GLY N . 26897 1 33 . 1 . 1 44 44 ASN H H 1 8.367 . . 1 . . . . . 44 ASN H . 26897 1 34 . 1 . 1 44 44 ASN N N 15 120.232 . . 1 . . . . . 44 ASN N . 26897 1 35 . 1 . 1 46 46 GLU H H 1 8.530 . . 1 . . . . . 46 GLU H . 26897 1 36 . 1 . 1 46 46 GLU N N 15 119.089 . . 1 . . . . . 46 GLU N . 26897 1 37 . 1 . 1 47 47 ASP H H 1 8.028 . . 1 . . . . . 47 ASP H . 26897 1 38 . 1 . 1 47 47 ASP N N 15 120.382 . . 1 . . . . . 47 ASP N . 26897 1 39 . 1 . 1 49 49 GLN H H 1 8.290 . . 1 . . . . . 49 GLN H . 26897 1 40 . 1 . 1 49 49 GLN N N 15 120.765 . . 1 . . . . . 49 GLN N . 26897 1 41 . 1 . 1 50 50 GLU H H 1 8.433 . . 1 . . . . . 50 GLU H . 26897 1 42 . 1 . 1 50 50 GLU N N 15 122.122 . . 1 . . . . . 50 GLU N . 26897 1 43 . 1 . 1 51 51 THR H H 1 8.168 . . 1 . . . . . 51 THR H . 26897 1 44 . 1 . 1 51 51 THR N N 15 115.068 . . 1 . . . . . 51 THR N . 26897 1 45 . 1 . 1 52 52 SER H H 1 8.265 . . 1 . . . . . 52 SER H . 26897 1 46 . 1 . 1 52 52 SER N N 15 118.444 . . 1 . . . . . 52 SER N . 26897 1 47 . 1 . 1 53 53 LYS H H 1 8.283 . . 1 . . . . . 53 LYS H . 26897 1 48 . 1 . 1 53 53 LYS N N 15 124.461 . . 1 . . . . . 53 LYS N . 26897 1 49 . 1 . 1 55 55 SER H H 1 8.406 . . 1 . . . . . 55 SER H . 26897 1 50 . 1 . 1 55 55 SER N N 15 116.128 . . 1 . . . . . 55 SER N . 26897 1 51 . 1 . 1 56 56 ASP H H 1 8.384 . . 1 . . . . . 56 ASP H . 26897 1 52 . 1 . 1 56 56 ASP N N 15 122.953 . . 1 . . . . . 56 ASP N . 26897 1 53 . 1 . 1 57 57 ASP H H 1 8.150 . . 1 . . . . . 57 ASP H . 26897 1 54 . 1 . 1 57 57 ASP N N 15 119.218 . . 1 . . . . . 57 ASP N . 26897 1 55 . 1 . 1 58 58 GLU H H 1 8.115 . . 1 . . . . . 58 GLU H . 26897 1 56 . 1 . 1 58 58 GLU N N 15 120.307 . . 1 . . . . . 58 GLU N . 26897 1 57 . 1 . 1 59 59 PHE H H 1 7.757 . . 1 . . . . . 59 PHE H . 26897 1 58 . 1 . 1 59 59 PHE N N 15 118.672 . . 1 . . . . . 59 PHE N . 26897 1 59 . 1 . 1 60 60 LEU H H 1 8.129 . . 1 . . . . . 60 LEU H . 26897 1 60 . 1 . 1 60 60 LEU N N 15 117.881 . . 1 . . . . . 60 LEU N . 26897 1 61 . 1 . 1 61 61 ARG H H 1 7.347 . . 1 . . . . . 61 ARG H . 26897 1 62 . 1 . 1 61 61 ARG N N 15 119.954 . . 1 . . . . . 61 ARG N . 26897 1 63 . 1 . 1 62 62 GLY H H 1 8.574 . . 1 . . . . . 62 GLY H . 26897 1 64 . 1 . 1 62 62 GLY N N 15 112.963 . . 1 . . . . . 62 GLY N . 26897 1 65 . 1 . 1 63 63 LYS H H 1 7.749 . . 1 . . . . . 63 LYS H . 26897 1 66 . 1 . 1 63 63 LYS N N 15 118.190 . . 1 . . . . . 63 LYS N . 26897 1 67 . 1 . 1 64 64 ARG H H 1 9.876 . . 1 . . . . . 64 ARG H . 26897 1 68 . 1 . 1 64 64 ARG N N 15 122.820 . . 1 . . . . . 64 ARG N . 26897 1 69 . 1 . 1 65 65 VAL H H 1 8.749 . . 1 . . . . . 65 VAL H . 26897 1 70 . 1 . 1 65 65 VAL N N 15 118.751 . . 1 . . . . . 65 VAL N . 26897 1 71 . 1 . 1 66 66 LEU H H 1 7.896 . . 1 . . . . . 66 LEU H . 26897 1 72 . 1 . 1 66 66 LEU N N 15 124.621 . . 1 . . . . . 66 LEU N . 26897 1 73 . 1 . 1 67 67 VAL H H 1 8.804 . . 1 . . . . . 67 VAL H . 26897 1 74 . 1 . 1 67 67 VAL N N 15 127.335 . . 1 . . . . . 67 VAL N . 26897 1 75 . 1 . 1 68 68 VAL H H 1 8.768 . . 1 . . . . . 68 VAL H . 26897 1 76 . 1 . 1 68 68 VAL N N 15 128.162 . . 1 . . . . . 68 VAL N . 26897 1 77 . 1 . 1 69 69 ASP H H 1 8.008 . . 1 . . . . . 69 ASP H . 26897 1 78 . 1 . 1 69 69 ASP N N 15 123.868 . . 1 . . . . . 69 ASP N . 26897 1 79 . 1 . 1 70 70 ASP H H 1 9.086 . . 1 . . . . . 70 ASP H . 26897 1 80 . 1 . 1 70 70 ASP N N 15 126.481 . . 1 . . . . . 70 ASP N . 26897 1 81 . 1 . 1 71 71 ASN H H 1 8.726 . . 1 . . . . . 71 ASN H . 26897 1 82 . 1 . 1 71 71 ASN N N 15 122.717 . . 1 . . . . . 71 ASN N . 26897 1 83 . 1 . 1 72 72 PHE H H 1 8.709 . . 1 . . . . . 72 PHE H . 26897 1 84 . 1 . 1 72 72 PHE N N 15 126.665 . . 1 . . . . . 72 PHE N . 26897 1 85 . 1 . 1 73 73 ILE H H 1 7.708 . . 1 . . . . . 73 ILE H . 26897 1 86 . 1 . 1 73 73 ILE N N 15 119.884 . . 1 . . . . . 73 ILE N . 26897 1 87 . 1 . 1 74 74 SER H H 1 7.693 . . 1 . . . . . 74 SER H . 26897 1 88 . 1 . 1 74 74 SER N N 15 114.772 . . 1 . . . . . 74 SER N . 26897 1 89 . 1 . 1 75 75 ARG H H 1 8.329 . . 1 . . . . . 75 ARG H . 26897 1 90 . 1 . 1 75 75 ARG N N 15 124.463 . . 1 . . . . . 75 ARG N . 26897 1 91 . 1 . 1 76 76 LYS H H 1 7.833 . . 1 . . . . . 76 LYS H . 26897 1 92 . 1 . 1 76 76 LYS N N 15 122.730 . . 1 . . . . . 76 LYS N . 26897 1 93 . 1 . 1 77 77 VAL H H 1 7.843 . . 1 . . . . . 77 VAL H . 26897 1 94 . 1 . 1 77 77 VAL N N 15 121.984 . . 1 . . . . . 77 VAL N . 26897 1 95 . 1 . 1 78 78 ALA H H 1 8.049 . . 1 . . . . . 78 ALA H . 26897 1 96 . 1 . 1 78 78 ALA N N 15 122.646 . . 1 . . . . . 78 ALA N . 26897 1 97 . 1 . 1 79 79 THR H H 1 8.238 . . 1 . . . . . 79 THR H . 26897 1 98 . 1 . 1 79 79 THR N N 15 112.502 . . 1 . . . . . 79 THR N . 26897 1 99 . 1 . 1 80 80 GLY H H 1 7.884 . . 1 . . . . . 80 GLY H . 26897 1 100 . 1 . 1 80 80 GLY N N 15 107.807 . . 1 . . . . . 80 GLY N . 26897 1 101 . 1 . 1 81 81 LYS H H 1 7.726 . . 1 . . . . . 81 LYS H . 26897 1 102 . 1 . 1 81 81 LYS N N 15 122.597 . . 1 . . . . . 81 LYS N . 26897 1 103 . 1 . 1 82 82 LEU H H 1 8.006 . . 1 . . . . . 82 LEU H . 26897 1 104 . 1 . 1 82 82 LEU N N 15 119.249 . . 1 . . . . . 82 LEU N . 26897 1 105 . 1 . 1 83 83 LYS H H 1 8.269 . . 1 . . . . . 83 LYS H . 26897 1 106 . 1 . 1 83 83 LYS N N 15 119.179 . . 1 . . . . . 83 LYS N . 26897 1 107 . 1 . 1 84 84 LYS H H 1 7.659 . . 1 . . . . . 84 LYS H . 26897 1 108 . 1 . 1 84 84 LYS N N 15 121.032 . . 1 . . . . . 84 LYS N . 26897 1 109 . 1 . 1 85 85 MET H H 1 7.343 . . 1 . . . . . 85 MET H . 26897 1 110 . 1 . 1 85 85 MET N N 15 116.157 . . 1 . . . . . 85 MET N . 26897 1 111 . 1 . 1 86 86 GLY H H 1 7.573 . . 1 . . . . . 86 GLY H . 26897 1 112 . 1 . 1 86 86 GLY N N 15 104.157 . . 1 . . . . . 86 GLY N . 26897 1 113 . 1 . 1 87 87 VAL H H 1 7.155 . . 1 . . . . . 87 VAL H . 26897 1 114 . 1 . 1 87 87 VAL N N 15 118.703 . . 1 . . . . . 87 VAL N . 26897 1 115 . 1 . 1 88 88 SER H H 1 8.567 . . 1 . . . . . 88 SER H . 26897 1 116 . 1 . 1 88 88 SER N N 15 121.204 . . 1 . . . . . 88 SER N . 26897 1 117 . 1 . 1 89 89 GLU H H 1 7.612 . . 1 . . . . . 89 GLU H . 26897 1 118 . 1 . 1 89 89 GLU N N 15 119.414 . . 1 . . . . . 89 GLU N . 26897 1 119 . 1 . 1 90 90 VAL H H 1 8.631 . . 1 . . . . . 90 VAL H . 26897 1 120 . 1 . 1 90 90 VAL N N 15 123.501 . . 1 . . . . . 90 VAL N . 26897 1 121 . 1 . 1 91 91 GLU H H 1 9.120 . . 1 . . . . . 91 GLU H . 26897 1 122 . 1 . 1 91 91 GLU N N 15 129.593 . . 1 . . . . . 91 GLU N . 26897 1 123 . 1 . 1 92 92 GLN H H 1 8.986 . . 1 . . . . . 92 GLN H . 26897 1 124 . 1 . 1 92 92 GLN N N 15 122.150 . . 1 . . . . . 92 GLN N . 26897 1 125 . 1 . 1 93 93 CYS H H 1 8.754 . . 1 . . . . . 93 CYS H . 26897 1 126 . 1 . 1 93 93 CYS N N 15 116.524 . . 1 . . . . . 93 CYS N . 26897 1 127 . 1 . 1 94 94 ASP H H 1 8.286 . . 1 . . . . . 94 ASP H . 26897 1 128 . 1 . 1 94 94 ASP N N 15 118.428 . . 1 . . . . . 94 ASP N . 26897 1 129 . 1 . 1 95 95 SER H H 1 7.246 . . 1 . . . . . 95 SER H . 26897 1 130 . 1 . 1 95 95 SER N N 15 108.117 . . 1 . . . . . 95 SER N . 26897 1 131 . 1 . 1 96 96 GLY H H 1 9.656 . . 1 . . . . . 96 GLY H . 26897 1 132 . 1 . 1 96 96 GLY N N 15 111.075 . . 1 . . . . . 96 GLY N . 26897 1 133 . 1 . 1 97 97 LYS H H 1 8.371 . . 1 . . . . . 97 LYS H . 26897 1 134 . 1 . 1 97 97 LYS N N 15 120.903 . . 1 . . . . . 97 LYS N . 26897 1 135 . 1 . 1 98 98 GLU H H 1 7.828 . . 1 . . . . . 98 GLU H . 26897 1 136 . 1 . 1 98 98 GLU N N 15 121.038 . . 1 . . . . . 98 GLU N . 26897 1 137 . 1 . 1 99 99 ALA H H 1 7.866 . . 1 . . . . . 99 ALA H . 26897 1 138 . 1 . 1 99 99 ALA N N 15 123.803 . . 1 . . . . . 99 ALA N . 26897 1 139 . 1 . 1 100 100 LEU H H 1 8.130 . . 1 . . . . . 100 LEU H . 26897 1 140 . 1 . 1 100 100 LEU N N 15 117.109 . . 1 . . . . . 100 LEU N . 26897 1 141 . 1 . 1 101 101 ARG H H 1 7.885 . . 1 . . . . . 101 ARG H . 26897 1 142 . 1 . 1 101 101 ARG N N 15 123.704 . . 1 . . . . . 101 ARG N . 26897 1 143 . 1 . 1 102 102 LEU H H 1 8.744 . . 1 . . . . . 102 LEU H . 26897 1 144 . 1 . 1 102 102 LEU N N 15 119.525 . . 1 . . . . . 102 LEU N . 26897 1 145 . 1 . 1 103 103 VAL H H 1 8.583 . . 1 . . . . . 103 VAL H . 26897 1 146 . 1 . 1 103 103 VAL N N 15 120.406 . . 1 . . . . . 103 VAL N . 26897 1 147 . 1 . 1 104 104 THR H H 1 8.286 . . 1 . . . . . 104 THR H . 26897 1 148 . 1 . 1 104 104 THR N N 15 116.611 . . 1 . . . . . 104 THR N . 26897 1 149 . 1 . 1 105 105 GLU H H 1 8.926 . . 1 . . . . . 105 GLU H . 26897 1 150 . 1 . 1 105 105 GLU N N 15 121.876 . . 1 . . . . . 105 GLU N . 26897 1 151 . 1 . 1 106 106 GLY H H 1 7.981 . . 1 . . . . . 106 GLY H . 26897 1 152 . 1 . 1 106 106 GLY N N 15 106.974 . . 1 . . . . . 106 GLY N . 26897 1 153 . 1 . 1 107 107 LEU H H 1 8.273 . . 1 . . . . . 107 LEU H . 26897 1 154 . 1 . 1 107 107 LEU N N 15 122.795 . . 1 . . . . . 107 LEU N . 26897 1 155 . 1 . 1 108 108 THR H H 1 7.832 . . 1 . . . . . 108 THR H . 26897 1 156 . 1 . 1 108 108 THR N N 15 114.335 . . 1 . . . . . 108 THR N . 26897 1 157 . 1 . 1 109 109 GLN H H 1 8.012 . . 1 . . . . . 109 GLN H . 26897 1 158 . 1 . 1 109 109 GLN N N 15 120.866 . . 1 . . . . . 109 GLN N . 26897 1 159 . 1 . 1 110 110 ARG H H 1 7.601 . . 1 . . . . . 110 ARG H . 26897 1 160 . 1 . 1 110 110 ARG N N 15 118.321 . . 1 . . . . . 110 ARG N . 26897 1 161 . 1 . 1 111 111 GLU H H 1 7.872 . . 1 . . . . . 111 GLU H . 26897 1 162 . 1 . 1 111 111 GLU N N 15 121.153 . . 1 . . . . . 111 GLU N . 26897 1 163 . 1 . 1 113 113 GLN H H 1 8.114 . . 1 . . . . . 113 GLN H . 26897 1 164 . 1 . 1 113 113 GLN N N 15 116.775 . . 1 . . . . . 113 GLN N . 26897 1 165 . 1 . 1 114 114 GLY H H 1 8.046 . . 1 . . . . . 114 GLY H . 26897 1 166 . 1 . 1 114 114 GLY N N 15 108.682 . . 1 . . . . . 114 GLY N . 26897 1 167 . 1 . 1 115 115 SER H H 1 7.950 . . 1 . . . . . 115 SER H . 26897 1 168 . 1 . 1 115 115 SER N N 15 114.865 . . 1 . . . . . 115 SER N . 26897 1 169 . 1 . 1 121 121 PHE H H 1 6.923 . . 1 . . . . . 121 PHE H . 26897 1 170 . 1 . 1 121 121 PHE N N 15 111.597 . . 1 . . . . . 121 PHE N . 26897 1 171 . 1 . 1 122 122 ASP H H 1 9.188 . . 1 . . . . . 122 ASP H . 26897 1 172 . 1 . 1 122 122 ASP N N 15 120.141 . . 1 . . . . . 122 ASP N . 26897 1 173 . 1 . 1 123 123 TYR H H 1 7.020 . . 1 . . . . . 123 TYR H . 26897 1 174 . 1 . 1 123 123 TYR N N 15 106.670 . . 1 . . . . . 123 TYR N . 26897 1 175 . 1 . 1 124 124 ILE H H 1 8.148 . . 1 . . . . . 124 ILE H . 26897 1 176 . 1 . 1 124 124 ILE N N 15 120.206 . . 1 . . . . . 124 ILE N . 26897 1 177 . 1 . 1 125 125 PHE H H 1 9.192 . . 1 . . . . . 125 PHE H . 26897 1 178 . 1 . 1 125 125 PHE N N 15 127.440 . . 1 . . . . . 125 PHE N . 26897 1 179 . 1 . 1 126 126 MET H H 1 9.075 . . 1 . . . . . 126 MET H . 26897 1 180 . 1 . 1 126 126 MET N N 15 125.940 . . 1 . . . . . 126 MET N . 26897 1 181 . 1 . 1 127 127 GLU H H 1 7.682 . . 1 . . . . . 127 GLU H . 26897 1 182 . 1 . 1 127 127 GLU N N 15 130.665 . . 1 . . . . . 127 GLU N . 26897 1 183 . 1 . 1 130 130 MET H H 1 6.799 . . 1 . . . . . 130 MET H . 26897 1 184 . 1 . 1 130 130 MET N N 15 121.128 . . 1 . . . . . 130 MET N . 26897 1 185 . 1 . 1 133 133 MET H H 1 8.620 . . 1 . . . . . 133 MET H . 26897 1 186 . 1 . 1 133 133 MET N N 15 124.113 . . 1 . . . . . 133 MET N . 26897 1 187 . 1 . 1 134 134 ASP H H 1 8.863 . . 1 . . . . . 134 ASP H . 26897 1 188 . 1 . 1 134 134 ASP N N 15 126.804 . . 1 . . . . . 134 ASP N . 26897 1 189 . 1 . 1 138 138 ALA H H 1 8.739 . . 1 . . . . . 138 ALA H . 26897 1 190 . 1 . 1 138 138 ALA N N 15 120.117 . . 1 . . . . . 138 ALA N . 26897 1 191 . 1 . 1 139 139 THR H H 1 7.689 . . 1 . . . . . 139 THR H . 26897 1 192 . 1 . 1 139 139 THR N N 15 114.641 . . 1 . . . . . 139 THR N . 26897 1 193 . 1 . 1 140 140 ARG H H 1 8.246 . . 1 . . . . . 140 ARG H . 26897 1 194 . 1 . 1 140 140 ARG N N 15 121.440 . . 1 . . . . . 140 ARG N . 26897 1 195 . 1 . 1 141 141 GLU H H 1 8.396 . . 1 . . . . . 141 GLU H . 26897 1 196 . 1 . 1 141 141 GLU N N 15 117.752 . . 1 . . . . . 141 GLU N . 26897 1 197 . 1 . 1 142 142 ILE H H 1 8.770 . . 1 . . . . . 142 ILE H . 26897 1 198 . 1 . 1 142 142 ILE N N 15 124.373 . . 1 . . . . . 142 ILE N . 26897 1 199 . 1 . 1 143 143 ARG H H 1 8.822 . . 1 . . . . . 143 ARG H . 26897 1 200 . 1 . 1 143 143 ARG N N 15 118.203 . . 1 . . . . . 143 ARG N . 26897 1 201 . 1 . 1 144 144 LYS H H 1 7.499 . . 1 . . . . . 144 LYS H . 26897 1 202 . 1 . 1 144 144 LYS N N 15 118.432 . . 1 . . . . . 144 LYS N . 26897 1 203 . 1 . 1 145 145 VAL H H 1 7.580 . . 1 . . . . . 145 VAL H . 26897 1 204 . 1 . 1 145 145 VAL N N 15 120.649 . . 1 . . . . . 145 VAL N . 26897 1 205 . 1 . 1 146 146 GLU H H 1 8.519 . . 1 . . . . . 146 GLU H . 26897 1 206 . 1 . 1 146 146 GLU N N 15 118.429 . . 1 . . . . . 146 GLU N . 26897 1 207 . 1 . 1 147 147 LYS H H 1 7.469 . . 1 . . . . . 147 LYS H . 26897 1 208 . 1 . 1 147 147 LYS N N 15 118.043 . . 1 . . . . . 147 LYS N . 26897 1 209 . 1 . 1 148 148 SER H H 1 7.785 . . 1 . . . . . 148 SER H . 26897 1 210 . 1 . 1 148 148 SER N N 15 113.058 . . 1 . . . . . 148 SER N . 26897 1 211 . 1 . 1 149 149 TYR H H 1 7.669 . . 1 . . . . . 149 TYR H . 26897 1 212 . 1 . 1 149 149 TYR N N 15 117.576 . . 1 . . . . . 149 TYR N . 26897 1 213 . 1 . 1 150 150 GLY H H 1 7.826 . . 1 . . . . . 150 GLY H . 26897 1 214 . 1 . 1 150 150 GLY N N 15 107.474 . . 1 . . . . . 150 GLY N . 26897 1 215 . 1 . 1 151 151 VAL H H 1 6.757 . . 1 . . . . . 151 VAL H . 26897 1 216 . 1 . 1 151 151 VAL N N 15 109.145 . . 1 . . . . . 151 VAL N . 26897 1 217 . 1 . 1 152 152 ARG H H 1 8.349 . . 1 . . . . . 152 ARG H . 26897 1 218 . 1 . 1 152 152 ARG N N 15 121.336 . . 1 . . . . . 152 ARG N . 26897 1 219 . 1 . 1 153 153 THR H H 1 10.661 . . 1 . . . . . 153 THR H . 26897 1 220 . 1 . 1 153 153 THR N N 15 106.234 . . 1 . . . . . 153 THR N . 26897 1 221 . 1 . 1 155 155 ILE H H 1 9.149 . . 1 . . . . . 155 ILE H . 26897 1 222 . 1 . 1 155 155 ILE N N 15 126.327 . . 1 . . . . . 155 ILE N . 26897 1 223 . 1 . 1 156 156 ILE H H 1 9.199 . . 1 . . . . . 156 ILE H . 26897 1 224 . 1 . 1 156 156 ILE N N 15 129.992 . . 1 . . . . . 156 ILE N . 26897 1 225 . 1 . 1 157 157 ALA H H 1 8.612 . . 1 . . . . . 157 ALA H . 26897 1 226 . 1 . 1 157 157 ALA N N 15 130.506 . . 1 . . . . . 157 ALA N . 26897 1 227 . 1 . 1 158 158 VAL H H 1 8.169 . . 1 . . . . . 158 VAL H . 26897 1 228 . 1 . 1 158 158 VAL N N 15 122.229 . . 1 . . . . . 158 VAL N . 26897 1 229 . 1 . 1 159 159 SER H H 1 7.975 . . 1 . . . . . 159 SER H . 26897 1 230 . 1 . 1 159 159 SER N N 15 117.406 . . 1 . . . . . 159 SER N . 26897 1 231 . 1 . 1 160 160 GLY H H 1 8.888 . . 1 . . . . . 160 GLY H . 26897 1 232 . 1 . 1 160 160 GLY N N 15 112.084 . . 1 . . . . . 160 GLY N . 26897 1 233 . 1 . 1 161 161 HIS H H 1 8.273 . . 1 . . . . . 161 HIS H . 26897 1 234 . 1 . 1 161 161 HIS N N 15 119.280 . . 1 . . . . . 161 HIS N . 26897 1 235 . 1 . 1 162 162 ASP H H 1 8.725 . . 1 . . . . . 162 ASP H . 26897 1 236 . 1 . 1 162 162 ASP N N 15 121.578 . . 1 . . . . . 162 ASP N . 26897 1 237 . 1 . 1 164 164 GLY H H 1 8.694 . . 1 . . . . . 164 GLY H . 26897 1 238 . 1 . 1 164 164 GLY N N 15 108.631 . . 1 . . . . . 164 GLY N . 26897 1 239 . 1 . 1 165 165 SER H H 1 7.919 . . 1 . . . . . 165 SER H . 26897 1 240 . 1 . 1 165 165 SER N N 15 115.912 . . 1 . . . . . 165 SER N . 26897 1 241 . 1 . 1 166 166 GLU H H 1 8.943 . . 1 . . . . . 166 GLU H . 26897 1 242 . 1 . 1 166 166 GLU N N 15 122.723 . . 1 . . . . . 166 GLU N . 26897 1 243 . 1 . 1 167 167 GLU H H 1 8.903 . . 1 . . . . . 167 GLU H . 26897 1 244 . 1 . 1 167 167 GLU N N 15 120.258 . . 1 . . . . . 167 GLU N . 26897 1 245 . 1 . 1 168 168 ALA H H 1 7.835 . . 1 . . . . . 168 ALA H . 26897 1 246 . 1 . 1 168 168 ALA N N 15 122.826 . . 1 . . . . . 168 ALA N . 26897 1 247 . 1 . 1 169 169 ARG H H 1 7.875 . . 1 . . . . . 169 ARG H . 26897 1 248 . 1 . 1 169 169 ARG N N 15 120.599 . . 1 . . . . . 169 ARG N . 26897 1 249 . 1 . 1 170 170 GLU H H 1 8.231 . . 1 . . . . . 170 GLU H . 26897 1 250 . 1 . 1 170 170 GLU N N 15 119.588 . . 1 . . . . . 170 GLU N . 26897 1 251 . 1 . 1 171 171 THR H H 1 7.832 . . 1 . . . . . 171 THR H . 26897 1 252 . 1 . 1 171 171 THR N N 15 112.786 . . 1 . . . . . 171 THR N . 26897 1 253 . 1 . 1 172 172 ILE H H 1 7.168 . . 1 . . . . . 172 ILE H . 26897 1 254 . 1 . 1 172 172 ILE N N 15 122.648 . . 1 . . . . . 172 ILE N . 26897 1 255 . 1 . 1 173 173 GLN H H 1 7.769 . . 1 . . . . . 173 GLN H . 26897 1 256 . 1 . 1 173 173 GLN N N 15 120.679 . . 1 . . . . . 173 GLN N . 26897 1 257 . 1 . 1 174 174 ALA H H 1 7.921 . . 1 . . . . . 174 ALA H . 26897 1 258 . 1 . 1 174 174 ALA N N 15 119.396 . . 1 . . . . . 174 ALA N . 26897 1 259 . 1 . 1 175 175 GLY H H 1 7.580 . . 1 . . . . . 175 GLY H . 26897 1 260 . 1 . 1 175 175 GLY N N 15 101.250 . . 1 . . . . . 175 GLY N . 26897 1 261 . 1 . 1 176 176 MET H H 1 8.034 . . 1 . . . . . 176 MET H . 26897 1 262 . 1 . 1 176 176 MET N N 15 119.068 . . 1 . . . . . 176 MET N . 26897 1 263 . 1 . 1 177 177 ASP H H 1 9.359 . . 1 . . . . . 177 ASP H . 26897 1 264 . 1 . 1 177 177 ASP N N 15 119.168 . . 1 . . . . . 177 ASP N . 26897 1 265 . 1 . 1 178 178 ALA H H 1 7.663 . . 1 . . . . . 178 ALA H . 26897 1 266 . 1 . 1 178 178 ALA N N 15 116.748 . . 1 . . . . . 178 ALA N . 26897 1 267 . 1 . 1 179 179 PHE H H 1 8.395 . . 1 . . . . . 179 PHE H . 26897 1 268 . 1 . 1 179 179 PHE N N 15 120.462 . . 1 . . . . . 179 PHE N . 26897 1 269 . 1 . 1 180 180 LEU H H 1 8.695 . . 1 . . . . . 180 LEU H . 26897 1 270 . 1 . 1 180 180 LEU N N 15 127.033 . . 1 . . . . . 180 LEU N . 26897 1 271 . 1 . 1 181 181 ASP H H 1 7.915 . . 1 . . . . . 181 ASP H . 26897 1 272 . 1 . 1 181 181 ASP N N 15 118.654 . . 1 . . . . . 181 ASP N . 26897 1 273 . 1 . 1 182 182 LYS H H 1 7.601 . . 1 . . . . . 182 LYS H . 26897 1 274 . 1 . 1 182 182 LYS N N 15 118.421 . . 1 . . . . . 182 LYS N . 26897 1 275 . 1 . 1 183 183 SER H H 1 8.145 . . 1 . . . . . 183 SER H . 26897 1 276 . 1 . 1 183 183 SER N N 15 113.785 . . 1 . . . . . 183 SER N . 26897 1 277 . 1 . 1 184 184 LEU H H 1 8.351 . . 1 . . . . . 184 LEU H . 26897 1 278 . 1 . 1 184 184 LEU N N 15 115.671 . . 1 . . . . . 184 LEU N . 26897 1 279 . 1 . 1 185 185 ASN H H 1 8.761 . . 1 . . . . . 185 ASN H . 26897 1 280 . 1 . 1 185 185 ASN N N 15 120.818 . . 1 . . . . . 185 ASN N . 26897 1 281 . 1 . 1 186 186 GLN H H 1 8.528 . . 1 . . . . . 186 GLN H . 26897 1 282 . 1 . 1 186 186 GLN N N 15 115.421 . . 1 . . . . . 186 GLN N . 26897 1 283 . 1 . 1 187 187 LEU H H 1 7.191 . . 1 . . . . . 187 LEU H . 26897 1 284 . 1 . 1 187 187 LEU N N 15 120.115 . . 1 . . . . . 187 LEU N . 26897 1 285 . 1 . 1 188 188 ALA H H 1 8.709 . . 1 . . . . . 188 ALA H . 26897 1 286 . 1 . 1 188 188 ALA N N 15 118.596 . . 1 . . . . . 188 ALA N . 26897 1 287 . 1 . 1 189 189 ASN H H 1 7.662 . . 1 . . . . . 189 ASN H . 26897 1 288 . 1 . 1 189 189 ASN N N 15 115.418 . . 1 . . . . . 189 ASN N . 26897 1 289 . 1 . 1 190 190 VAL H H 1 8.146 . . 1 . . . . . 190 VAL H . 26897 1 290 . 1 . 1 190 190 VAL N N 15 120.418 . . 1 . . . . . 190 VAL N . 26897 1 291 . 1 . 1 191 191 ILE H H 1 8.126 . . 1 . . . . . 191 ILE H . 26897 1 292 . 1 . 1 191 191 ILE N N 15 119.830 . . 1 . . . . . 191 ILE N . 26897 1 293 . 1 . 1 192 192 ARG H H 1 7.798 . . 1 . . . . . 192 ARG H . 26897 1 294 . 1 . 1 192 192 ARG N N 15 119.203 . . 1 . . . . . 192 ARG N . 26897 1 295 . 1 . 1 193 193 GLU H H 1 7.903 . . 1 . . . . . 193 GLU H . 26897 1 296 . 1 . 1 193 193 GLU N N 15 120.761 . . 1 . . . . . 193 GLU N . 26897 1 297 . 1 . 1 194 194 ILE H H 1 8.186 . . 1 . . . . . 194 ILE H . 26897 1 298 . 1 . 1 194 194 ILE N N 15 120.798 . . 1 . . . . . 194 ILE N . 26897 1 299 . 1 . 1 195 195 GLU H H 1 8.470 . . 1 . . . . . 195 GLU H . 26897 1 300 . 1 . 1 195 195 GLU N N 15 119.008 . . 1 . . . . . 195 GLU N . 26897 1 301 . 1 . 1 196 196 SER H H 1 8.140 . . 1 . . . . . 196 SER H . 26897 1 302 . 1 . 1 196 196 SER N N 15 115.174 . . 1 . . . . . 196 SER N . 26897 1 303 . 1 . 1 197 197 LYS H H 1 7.615 . . 1 . . . . . 197 LYS H . 26897 1 304 . 1 . 1 197 197 LYS N N 15 120.418 . . 1 . . . . . 197 LYS N . 26897 1 305 . 1 . 1 198 198 ARG H H 1 7.740 . . 1 . . . . . 198 ARG H . 26897 1 306 . 1 . 1 198 198 ARG N N 15 119.459 . . 1 . . . . . 198 ARG N . 26897 1 307 . 1 . 1 199 199 HIS H H 1 8.068 . . 1 . . . . . 199 HIS H . 26897 1 308 . 1 . 1 199 199 HIS N N 15 118.009 . . 1 . . . . . 199 HIS N . 26897 1 309 . 1 . 1 200 200 LEU H H 1 7.816 . . 1 . . . . . 200 LEU H . 26897 1 310 . 1 . 1 200 200 LEU N N 15 121.508 . . 1 . . . . . 200 LEU N . 26897 1 311 . 1 . 1 201 201 GLU H H 1 8.136 . . 1 . . . . . 201 GLU H . 26897 1 312 . 1 . 1 201 201 GLU N N 15 120.039 . . 1 . . . . . 201 GLU N . 26897 1 stop_ save_