################################### # 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 27530 _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' . . . 27530 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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 3 3 ASP H H 1 8.761 0.031 . . . . . . . 2 D H . 27530 1 2 . 1 1 3 3 ASP N N 15 120.729 0.612 . . . . . . . 2 D N . 27530 1 3 . 1 1 5 5 LEU H H 1 8.372 0.035 . . . . . . . 4 L H . 27530 1 4 . 1 1 5 5 LEU N N 15 122.385 0.595 . . . . . . . 4 L N . 27530 1 5 . 1 1 6 6 THR H H 1 8.823 0.032 . . . . . . . 5 T H . 27530 1 6 . 1 1 6 6 THR N N 15 113.543 0.611 . . . . . . . 5 T N . 27530 1 7 . 1 1 7 7 GLU H H 1 9.084 0.033 . . . . . . . 6 E H . 27530 1 8 . 1 1 7 7 GLU N N 15 120.684 0.630 . . . . . . . 6 E N . 27530 1 9 . 1 1 8 8 GLU H H 1 8.774 0.036 . . . . . . . 7 E H . 27530 1 10 . 1 1 8 8 GLU N N 15 119.806 0.601 . . . . . . . 7 E N . 27530 1 11 . 1 1 9 9 GLN H H 1 7.795 0.026 . . . . . . . 8 Q H . 27530 1 12 . 1 1 9 9 GLN N N 15 120.902 0.658 . . . . . . . 8 Q N . 27530 1 13 . 1 1 10 10 ILE H H 1 8.313 0.036 . . . . . . . 9 I H . 27530 1 14 . 1 1 10 10 ILE N N 15 119.267 0.200 . . . . . . . 9 I N . 27530 1 15 . 1 1 11 11 ALA H H 1 7.987 0.030 . . . . . . . 10 A H . 27530 1 16 . 1 1 11 11 ALA N N 15 120.953 0.580 . . . . . . . 10 A N . 27530 1 17 . 1 1 12 12 GLU H H 1 7.882 0.027 . . . . . . . 11 E H . 27530 1 18 . 1 1 12 12 GLU N N 15 120.585 0.606 . . . . . . . 11 E N . 27530 1 19 . 1 1 13 13 PHE H H 1 8.927 0.033 . . . . . . . 12 F H . 27530 1 20 . 1 1 13 13 PHE N N 15 120.968 0.656 . . . . . . . 12 F N . 27530 1 21 . 1 1 14 14 LYS H H 1 9.269 0.034 . . . . . . . 13 K H . 27530 1 22 . 1 1 14 14 LYS N N 15 122.413 0.344 . . . . . . . 13 K N . 27530 1 23 . 1 1 15 15 GLU H H 1 8.121 0.029 . . . . . . . 14 E H . 27530 1 24 . 1 1 15 15 GLU N N 15 120.915 0.570 . . . . . . . 14 E N . 27530 1 25 . 1 1 16 16 ALA H H 1 7.736 0.031 . . . . . . . 15 A H . 27530 1 26 . 1 1 16 16 ALA N N 15 121.397 0.598 . . . . . . . 15 A N . 27530 1 27 . 1 1 17 17 PHE H H 1 8.631 0.031 . . . . . . . 16 F H . 27530 1 28 . 1 1 17 17 PHE N N 15 118.434 0.571 . . . . . . . 16 F N . 27530 1 29 . 1 1 18 18 SER H H 1 8.478 0.032 . . . . . . . 17 S H . 27530 1 30 . 1 1 18 18 SER N N 15 111.550 0.555 . . . . . . . 17 S N . 27530 1 31 . 1 1 19 19 LEU H H 1 7.424 0.034 . . . . . . . 18 L H . 27530 1 32 . 1 1 19 19 LEU N N 15 121.668 0.559 . . . . . . . 18 L N . 27530 1 33 . 1 1 20 20 PHE H H 1 7.475 0.051 . . . . . . . 19 F H . 27530 1 34 . 1 1 20 20 PHE N N 15 115.463 0.306 . . . . . . . 19 F N . 27530 1 35 . 1 1 21 21 ASP H H 1 7.903 0.037 . . . . . . . 20 D H . 27530 1 36 . 1 1 21 21 ASP N N 15 122.163 0.338 . . . . . . . 20 D N . 27530 1 37 . 1 1 22 22 LYS H H 1 8.451 0.034 . . . . . . . 21 K H . 27530 1 38 . 1 1 22 22 LYS N N 15 125.278 0.378 . . . . . . . 21 K N . 27530 1 39 . 1 1 23 23 ASP H H 1 8.677 0.036 . . . . . . . 22 D H . 27530 1 40 . 1 1 23 23 ASP N N 15 116.888 0.565 . . . . . . . 22 D N . 27530 1 41 . 1 1 24 24 GLY H H 1 8.127 0.038 . . . . . . . 23 G H . 27530 1 42 . 1 1 24 24 GLY N N 15 110.718 0.407 . . . . . . . 23 G N . 27530 1 43 . 1 1 25 25 ASP H H 1 8.825 0.028 . . . . . . . 24 D H . 27530 1 44 . 1 1 25 25 ASP N N 15 120.867 0.679 . . . . . . . 24 D N . 27530 1 45 . 1 1 26 26 GLY H H 1 10.301 0.129 . . . . . . . 25 G H . 27530 1 46 . 1 1 26 26 GLY N N 15 112.520 0.459 . . . . . . . 25 G N . 27530 1 47 . 1 1 28 28 ILE H H 1 8.355 0.034 . . . . . . . 27 I H . 27530 1 48 . 1 1 28 28 ILE N N 15 111.220 0.281 . . . . . . . 27 I N . 27530 1 49 . 1 1 29 29 THR H H 1 8.399 0.031 . . . . . . . 28 T H . 27530 1 50 . 1 1 29 29 THR N N 15 111.215 0.605 . . . . . . . 28 T N . 27530 1 51 . 1 1 30 30 THR H H 1 8.379 0.032 . . . . . . . 29 T H . 27530 1 52 . 1 1 30 30 THR N N 15 112.995 0.562 . . . . . . . 29 T N . 27530 1 53 . 1 1 31 31 LYS H H 1 7.685 0.030 . . . . . . . 30 K H . 27530 1 54 . 1 1 31 31 LYS N N 15 119.580 0.375 . . . . . . . 30 K N . 27530 1 55 . 1 1 32 32 GLU H H 1 7.592 0.031 . . . . . . . 31 E H . 27530 1 56 . 1 1 32 32 GLU N N 15 117.906 0.765 . . . . . . . 31 E N . 27530 1 57 . 1 1 33 33 LEU H H 1 7.458 0.035 . . . . . . . 32 L H . 27530 1 58 . 1 1 33 33 LEU N N 15 121.671 0.311 . . . . . . . 32 L N . 27530 1 59 . 1 1 34 34 GLY H H 1 8.871 0.010 . . . . . . . 33 G H . 27530 1 60 . 1 1 34 34 GLY N N 15 105.991 0.632 . . . . . . . 33 G N . 27530 1 61 . 1 1 35 35 THR H H 1 7.587 0.032 . . . . . . . 34 T H . 27530 1 62 . 1 1 35 35 THR N N 15 118.924 0.565 . . . . . . . 34 T N . 27530 1 63 . 1 1 36 36 VAL H H 1 8.042 0.031 . . . . . . . 35 V H . 27530 1 64 . 1 1 36 36 VAL N N 15 123.253 0.588 . . . . . . . 35 V N . 27530 1 65 . 1 1 37 37 MET H H 1 8.530 0.029 . . . . . . . 36 M H . 27530 1 66 . 1 1 37 37 MET N N 15 119.122 0.598 . . . . . . . 36 M N . 27530 1 67 . 1 1 38 38 ARG H H 1 8.584 0.031 . . . . . . . 37 R H . 27530 1 68 . 1 1 38 38 ARG N N 15 120.006 0.557 . . . . . . . 37 R N . 27530 1 69 . 1 1 39 39 SER H H 1 8.188 0.025 . . . . . . . 38 S H . 27530 1 70 . 1 1 39 39 SER N N 15 119.606 0.573 . . . . . . . 38 S N . 27530 1 71 . 1 1 40 40 LEU H H 1 7.436 0.036 . . . . . . . 39 L H . 27530 1 72 . 1 1 40 40 LEU N N 15 121.893 0.333 . . . . . . . 39 L N . 27530 1 73 . 1 1 41 41 GLY H H 1 7.986 0.032 . . . . . . . 40 G H . 27530 1 74 . 1 1 41 41 GLY N N 15 107.650 0.614 . . . . . . . 40 G N . 27530 1 75 . 1 1 43 43 ASN H H 1 8.736 0.031 . . . . . . . 42 N H . 27530 1 76 . 1 1 43 43 ASN N N 15 117.092 0.595 . . . . . . . 42 N N . 27530 1 77 . 1 1 46 46 GLU H H 1 8.949 0.055 . . . . . . . 45 E H . 27530 1 78 . 1 1 46 46 GLU N N 15 121.046 0.535 . . . . . . . 45 E N . 27530 1 79 . 1 1 47 47 ALA H H 1 8.391 0.034 . . . . . . . 46 A H . 27530 1 80 . 1 1 47 47 ALA N N 15 121.908 0.333 . . . . . . . 46 A N . 27530 1 81 . 1 1 48 48 GLU H H 1 7.836 0.039 . . . . . . . 47 E H . 27530 1 82 . 1 1 48 48 GLU N N 15 119.590 0.590 . . . . . . . 47 E N . 27530 1 83 . 1 1 49 49 LEU H H 1 8.400 0.036 . . . . . . . 48 L H . 27530 1 84 . 1 1 49 49 LEU N N 15 120.998 0.286 . . . . . . . 48 L N . 27530 1 85 . 1 1 51 51 ASP H H 1 7.941 0.029 . . . . . . . 50 D H . 27530 1 86 . 1 1 51 51 ASP N N 15 119.557 0.676 . . . . . . . 50 D N . 27530 1 87 . 1 1 53 53 ILE H H 1 8.400 0.036 . . . . . . . 52 I H . 27530 1 88 . 1 1 53 53 ILE N N 15 120.017 0.285 . . . . . . . 52 I N . 27530 1 89 . 1 1 54 54 ASN H H 1 8.354 0.030 . . . . . . . 53 N H . 27530 1 90 . 1 1 54 54 ASN N N 15 117.982 0.592 . . . . . . . 53 N N . 27530 1 91 . 1 1 55 55 GLU H H 1 7.681 0.035 . . . . . . . 54 E H . 27530 1 92 . 1 1 55 55 GLU N N 15 117.806 0.644 . . . . . . . 54 E N . 27530 1 93 . 1 1 57 57 ASP H H 1 8.504 0.025 . . . . . . . 56 D H . 27530 1 94 . 1 1 57 57 ASP N N 15 122.362 0.560 . . . . . . . 56 D N . 27530 1 95 . 1 1 58 58 ALA H H 1 8.205 0.030 . . . . . . . 57 A H . 27530 1 96 . 1 1 58 58 ALA N N 15 125.496 0.640 . . . . . . . 57 A N . 27530 1 97 . 1 1 59 59 ASP H H 1 8.482 0.030 . . . . . . . 58 D H . 27530 1 98 . 1 1 59 59 ASP N N 15 115.521 0.621 . . . . . . . 58 D N . 27530 1 99 . 1 1 60 60 GLY H H 1 7.994 0.033 . . . . . . . 59 G H . 27530 1 100 . 1 1 60 60 GLY N N 15 109.393 0.581 . . . . . . . 59 G N . 27530 1 101 . 1 1 61 61 ASN H H 1 9.245 0.029 . . . . . . . 60 N H . 27530 1 102 . 1 1 61 61 ASN N N 15 120.090 0.603 . . . . . . . 60 N N . 27530 1 103 . 1 1 62 62 GLY H H 1 9.921 0.031 . . . . . . . 61 G H . 27530 1 104 . 1 1 62 62 GLY N N 15 110.447 0.592 . . . . . . . 61 G N . 27530 1 105 . 1 1 64 64 ILE H H 1 8.996 0.036 . . . . . . . 63 I H . 27530 1 106 . 1 1 64 64 ILE N N 15 119.571 0.645 . . . . . . . 63 I N . 27530 1 107 . 1 1 65 65 ASP H H 1 8.364 0.033 . . . . . . . 64 D H . 27530 1 108 . 1 1 65 65 ASP N N 15 124.499 0.594 . . . . . . . 64 D N . 27530 1 109 . 1 1 66 66 PHE H H 1 8.751 0.032 . . . . . . . 65 F H . 27530 1 110 . 1 1 66 66 PHE N N 15 119.191 0.450 . . . . . . . 65 F N . 27530 1 111 . 1 1 68 68 GLU H H 1 8.177 0.032 . . . . . . . 67 E H . 27530 1 112 . 1 1 68 68 GLU N N 15 118.055 0.509 . . . . . . . 67 E N . 27530 1 113 . 1 1 69 69 PHE H H 1 8.573 0.035 . . . . . . . 68 F H . 27530 1 114 . 1 1 69 69 PHE N N 15 123.010 0.594 . . . . . . . 68 F N . 27530 1 115 . 1 1 70 70 LEU H H 1 8.538 0.030 . . . . . . . 69 L H . 27530 1 116 . 1 1 70 70 LEU N N 15 119.108 0.581 . . . . . . . 69 L N . 27530 1 117 . 1 1 73 73 MET H H 1 8.131 0.041 . . . . . . . 72 M H . 27530 1 118 . 1 1 73 73 MET N N 15 118.022 0.606 . . . . . . . 72 M N . 27530 1 119 . 1 1 74 74 ALA H H 1 8.366 0.043 . . . . . . . 73 A H . 27530 1 120 . 1 1 74 74 ALA N N 15 121.268 0.624 . . . . . . . 73 A N . 27530 1 121 . 1 1 75 75 ARG H H 1 7.558 0.035 . . . . . . . 74 R H . 27530 1 122 . 1 1 75 75 ARG N N 15 117.098 0.931 . . . . . . . 74 R N . 27530 1 123 . 1 1 76 76 LYS H H 1 7.791 0.020 . . . . . . . 75 K H . 27530 1 124 . 1 1 76 76 LYS N N 15 119.015 0.689 . . . . . . . 75 K N . 27530 1 125 . 1 1 78 78 LYS H H 1 7.839 0.040 . . . . . . . 77 K H . 27530 1 126 . 1 1 78 78 LYS N N 15 121.088 0.616 . . . . . . . 77 K N . 27530 1 127 . 1 1 79 79 ASP H H 1 8.315 0.015 . . . . . . . 78 D H . 27530 1 128 . 1 1 79 79 ASP N N 15 122.386 0.448 . . . . . . . 78 D N . 27530 1 129 . 1 1 81 81 ASP H H 1 8.519 0.033 . . . . . . . 80 D H . 27530 1 130 . 1 1 81 81 ASP N N 15 123.604 0.588 . . . . . . . 80 D N . 27530 1 131 . 1 1 82 82 SER H H 1 8.534 0.037 . . . . . . . 81 S H . 27530 1 132 . 1 1 82 82 SER N N 15 117.619 0.599 . . . . . . . 81 S N . 27530 1 133 . 1 1 83 83 GLU H H 1 8.472 0.036 . . . . . . . 82 E H . 27530 1 134 . 1 1 83 83 GLU N N 15 122.849 0.652 . . . . . . . 82 E N . 27530 1 135 . 1 1 84 84 GLU H H 1 8.235 0.031 . . . . . . . 83 E H . 27530 1 136 . 1 1 84 84 GLU N N 15 119.328 0.216 . . . . . . . 83 E N . 27530 1 137 . 1 1 85 85 GLU H H 1 8.092 0.026 . . . . . . . 84 E H . 27530 1 138 . 1 1 85 85 GLU N N 15 119.697 0.508 . . . . . . . 84 E N . 27530 1 139 . 1 1 86 86 ILE H H 1 8.004 0.036 . . . . . . . 85 I H . 27530 1 140 . 1 1 86 86 ILE N N 15 120.838 0.286 . . . . . . . 85 I N . 27530 1 141 . 1 1 88 88 GLU H H 1 8.383 0.019 . . . . . . . 87 E H . 27530 1 142 . 1 1 88 88 GLU N N 15 118.228 0.996 . . . . . . . 87 E N . 27530 1 143 . 1 1 89 89 ALA H H 1 7.597 0.031 . . . . . . . 88 A H . 27530 1 144 . 1 1 89 89 ALA N N 15 121.819 0.665 . . . . . . . 88 A N . 27530 1 145 . 1 1 90 90 PHE H H 1 7.570 0.044 . . . . . . . 89 F H . 27530 1 146 . 1 1 90 90 PHE N N 15 115.003 0.300 . . . . . . . 89 F N . 27530 1 147 . 1 1 92 92 VAL H H 1 7.221 0.032 . . . . . . . 91 V H . 27530 1 148 . 1 1 92 92 VAL N N 15 117.400 0.705 . . . . . . . 91 V N . 27530 1 149 . 1 1 93 93 PHE H H 1 7.424 0.031 . . . . . . . 92 F H . 27530 1 150 . 1 1 93 93 PHE N N 15 116.338 0.731 . . . . . . . 92 F N . 27530 1 151 . 1 1 94 94 ASP H H 1 7.384 0.033 . . . . . . . 93 D H . 27530 1 152 . 1 1 94 94 ASP N N 15 122.885 0.607 . . . . . . . 93 D N . 27530 1 153 . 1 1 95 95 LYS H H 1 8.134 0.029 . . . . . . . 94 K H . 27530 1 154 . 1 1 95 95 LYS N N 15 124.127 0.581 . . . . . . . 94 K N . 27530 1 155 . 1 1 96 96 ASP H H 1 8.787 0.034 . . . . . . . 95 D H . 27530 1 156 . 1 1 96 96 ASP N N 15 117.493 0.558 . . . . . . . 95 D N . 27530 1 157 . 1 1 97 97 GLY H H 1 8.083 0.032 . . . . . . . 96 G H . 27530 1 158 . 1 1 97 97 GLY N N 15 110.756 0.628 . . . . . . . 96 G N . 27530 1 159 . 1 1 99 99 GLY H H 1 10.085 0.095 . . . . . . . 98 G H . 27530 1 160 . 1 1 99 99 GLY N N 15 111.119 0.300 . . . . . . . 98 G N . 27530 1 161 . 1 1 101 101 ILE H H 1 8.769 0.058 . . . . . . . 100 I H . 27530 1 162 . 1 1 101 101 ILE N N 15 113.579 0.626 . . . . . . . 100 I N . 27530 1 163 . 1 1 102 102 SER H H 1 9.023 0.076 . . . . . . . 101 S H . 27530 1 164 . 1 1 102 102 SER N N 15 118.580 0.655 . . . . . . . 101 S N . 27530 1 165 . 1 1 103 103 ALA H H 1 8.935 0.052 . . . . . . . 102 A H . 27530 1 166 . 1 1 103 103 ALA N N 15 125.455 0.733 . . . . . . . 102 A N . 27530 1 167 . 1 1 104 104 ALA H H 1 8.352 0.044 . . . . . . . 103 A H . 27530 1 168 . 1 1 104 104 ALA N N 15 119.788 0.274 . . . . . . . 103 A N . 27530 1 169 . 1 1 105 105 GLU H H 1 7.812 0.034 . . . . . . . 104 E H . 27530 1 170 . 1 1 105 105 GLU N N 15 120.522 0.197 . . . . . . . 104 E N . 27530 1 171 . 1 1 106 106 LEU H H 1 8.272 0.028 . . . . . . . 105 L H . 27530 1 172 . 1 1 106 106 LEU N N 15 121.728 0.524 . . . . . . . 105 L N . 27530 1 173 . 1 1 108 108 HIS H H 1 7.789 0.028 . . . . . . . 107 H H . 27530 1 174 . 1 1 108 108 HIS N N 15 118.815 0.558 . . . . . . . 107 H N . 27530 1 175 . 1 1 109 109 VAL H H 1 8.204 0.040 . . . . . . . 108 V H . 27530 1 176 . 1 1 109 109 VAL N N 15 120.586 0.276 . . . . . . . 108 V N . 27530 1 177 . 1 1 111 111 THR H H 1 8.047 0.062 . . . . . . . 110 T H . 27530 1 178 . 1 1 111 111 THR N N 15 112.764 0.988 . . . . . . . 110 T N . 27530 1 179 . 1 1 112 112 ASN H H 1 7.783 0.016 . . . . . . . 111 N H . 27530 1 180 . 1 1 112 112 ASN N N 15 120.725 0.675 . . . . . . . 111 N N . 27530 1 181 . 1 1 114 114 GLY H H 1 8.223 0.037 . . . . . . . 113 G H . 27530 1 182 . 1 1 114 114 GLY N N 15 108.896 0.557 . . . . . . . 113 G N . 27530 1 183 . 1 1 115 115 GLU H H 1 8.202 0.051 . . . . . . . 114 E H . 27530 1 184 . 1 1 115 115 GLU N N 15 120.619 0.240 . . . . . . . 114 E N . 27530 1 185 . 1 1 116 116 LYS H H 1 8.393 0.029 . . . . . . . 115 K H . 27530 1 186 . 1 1 116 116 LYS N N 15 121.552 0.438 . . . . . . . 115 K N . 27530 1 187 . 1 1 117 117 LEU H H 1 7.828 0.033 . . . . . . . 116 L H . 27530 1 188 . 1 1 117 117 LEU N N 15 121.874 0.504 . . . . . . . 116 L N . 27530 1 189 . 1 1 118 118 THR H H 1 9.007 0.034 . . . . . . . 117 T H . 27530 1 190 . 1 1 118 118 THR N N 15 113.917 0.610 . . . . . . . 117 T N . 27530 1 191 . 1 1 119 119 ASP H H 1 8.886 0.034 . . . . . . . 118 D H . 27530 1 192 . 1 1 119 119 ASP N N 15 121.427 0.648 . . . . . . . 118 D N . 27530 1 193 . 1 1 121 121 GLU H H 1 7.893 0.043 . . . . . . . 120 E H . 27530 1 194 . 1 1 121 121 GLU N N 15 121.312 0.548 . . . . . . . 120 E N . 27530 1 195 . 1 1 122 122 VAL H H 1 8.304 0.021 . . . . . . . 121 V H . 27530 1 196 . 1 1 122 122 VAL N N 15 121.427 0.646 . . . . . . . 121 V N . 27530 1 197 . 1 1 123 123 ASP H H 1 8.445 0.030 . . . . . . . 122 D H . 27530 1 198 . 1 1 123 123 ASP N N 15 119.830 0.649 . . . . . . . 122 D N . 27530 1 199 . 1 1 125 125 MET H H 1 8.025 0.038 . . . . . . . 124 M H . 27530 1 200 . 1 1 125 125 MET N N 15 119.523 0.650 . . . . . . . 124 M N . 27530 1 201 . 1 1 126 126 ILE H H 1 8.439 0.034 . . . . . . . 125 I H . 27530 1 202 . 1 1 126 126 ILE N N 15 119.412 0.229 . . . . . . . 125 I N . 27530 1 203 . 1 1 127 127 ARG H H 1 8.011 0.034 . . . . . . . 126 R H . 27530 1 204 . 1 1 127 127 ARG N N 15 119.903 0.568 . . . . . . . 126 R N . 27530 1 205 . 1 1 128 128 GLU H H 1 7.928 0.049 . . . . . . . 127 E H . 27530 1 206 . 1 1 128 128 GLU N N 15 117.216 0.654 . . . . . . . 127 E N . 27530 1 207 . 1 1 129 129 ALA H H 1 7.665 0.036 . . . . . . . 128 A H . 27530 1 208 . 1 1 129 129 ALA N N 15 121.585 0.608 . . . . . . . 128 A N . 27530 1 209 . 1 1 130 130 ASP H H 1 8.358 0.031 . . . . . . . 129 D H . 27530 1 210 . 1 1 130 130 ASP N N 15 120.662 0.399 . . . . . . . 129 D N . 27530 1 211 . 1 1 132 132 ASP H H 1 8.671 0.036 . . . . . . . 131 D H . 27530 1 212 . 1 1 132 132 ASP N N 15 124.246 0.528 . . . . . . . 131 D N . 27530 1 213 . 1 1 133 133 GLY H H 1 8.412 0.033 . . . . . . . 132 G H . 27530 1 214 . 1 1 133 133 GLY N N 15 108.497 0.609 . . . . . . . 132 G N . 27530 1 215 . 1 1 134 134 ASP H H 1 8.364 0.030 . . . . . . . 133 D H . 27530 1 216 . 1 1 134 134 ASP N N 15 120.177 0.215 . . . . . . . 133 D N . 27530 1 217 . 1 1 135 135 GLY H H 1 8.571 0.094 . . . . . . . 134 G H . 27530 1 218 . 1 1 135 135 GLY N N 15 109.772 0.806 . . . . . . . 134 G N . 27530 1 219 . 1 1 137 137 VAL H H 1 9.441 0.043 . . . . . . . 136 V H . 27530 1 220 . 1 1 137 137 VAL N N 15 120.172 0.300 . . . . . . . 136 V N . 27530 1 221 . 1 1 139 139 TYR H H 1 7.750 0.089 . . . . . . . 138 Y H . 27530 1 222 . 1 1 139 139 TYR N N 15 123.067 0.789 . . . . . . . 138 Y N . 27530 1 223 . 1 1 140 140 GLU H H 1 8.204 0.046 . . . . . . . 139 E H . 27530 1 224 . 1 1 140 140 GLU N N 15 126.592 0.375 . . . . . . . 139 E N . 27530 1 225 . 1 1 146 146 MET H H 1 8.140 0.077 . . . . . . . 145 M H . 27530 1 226 . 1 1 146 146 MET N N 15 116.091 0.886 . . . . . . . 145 M N . 27530 1 227 . 1 1 148 148 ALA H H 1 7.676 0.038 . . . . . . . 147 A H . 27530 1 228 . 1 1 148 148 ALA N N 15 126.405 0.486 . . . . . . . 147 A N . 27530 1 229 . 1 1 149 149 LYS H H 1 7.848 0.085 . . . . . . . 148 K H . 27530 1 230 . 1 1 149 149 LYS N N 15 126.504 0.460 . . . . . . . 148 K N . 27530 1 stop_ save_