################################### # 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 26683 _Assigned_chem_shift_list.ID 1 _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' . . . 26683 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 $CARA . . 26683 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.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 GLN H H 1 8.109 0.020 . 1 . . . . 3 GLN H . 26683 1 2 . 1 1 3 3 GLN N N 15 118.270 0.300 . 1 . . . . 3 GLN N . 26683 1 3 . 1 1 4 4 LEU H H 1 8.221 0.020 . 1 . . . . 4 LEU H . 26683 1 4 . 1 1 4 4 LEU N N 15 121.532 0.300 . 1 . . . . 4 LEU N . 26683 1 5 . 1 1 5 5 THR H H 1 8.691 0.020 . 1 . . . . 5 THR H . 26683 1 6 . 1 1 5 5 THR N N 15 112.733 0.300 . 1 . . . . 5 THR N . 26683 1 7 . 1 1 6 6 GLU H H 1 8.941 0.020 . 1 . . . . 6 GLU H . 26683 1 8 . 1 1 6 6 GLU N N 15 119.971 0.300 . 1 . . . . 6 GLU N . 26683 1 9 . 1 1 7 7 GLU H H 1 8.641 0.020 . 1 . . . . 7 GLU H . 26683 1 10 . 1 1 7 7 GLU N N 15 119.033 0.300 . 1 . . . . 7 GLU N . 26683 1 11 . 1 1 8 8 GLN H H 1 7.648 0.020 . 1 . . . . 8 GLN H . 26683 1 12 . 1 1 8 8 GLN N N 15 120.185 0.300 . 1 . . . . 8 GLN N . 26683 1 13 . 1 1 9 9 ILE H H 1 8.147 0.020 . 1 . . . . 9 ILE H . 26683 1 14 . 1 1 9 9 ILE N N 15 118.192 0.300 . 1 . . . . 9 ILE N . 26683 1 15 . 1 1 10 10 ALA H H 1 7.838 0.020 . 1 . . . . 10 ALA H . 26683 1 16 . 1 1 10 10 ALA N N 15 120.153 0.300 . 1 . . . . 10 ALA N . 26683 1 17 . 1 1 11 11 GLU H H 1 7.720 0.020 . 1 . . . . 11 GLU H . 26683 1 18 . 1 1 11 11 GLU N N 15 119.933 0.300 . 1 . . . . 11 GLU N . 26683 1 19 . 1 1 12 12 PHE H H 1 8.737 0.020 . 1 . . . . 12 PHE H . 26683 1 20 . 1 1 12 12 PHE N N 15 120.133 0.300 . 1 . . . . 12 PHE N . 26683 1 21 . 1 1 13 13 LYS H H 1 9.137 0.020 . 1 . . . . 13 LYS H . 26683 1 22 . 1 1 13 13 LYS N N 15 121.202 0.300 . 1 . . . . 13 LYS N . 26683 1 23 . 1 1 14 14 GLU H H 1 7.980 0.020 . 1 . . . . 14 GLU H . 26683 1 24 . 1 1 14 14 GLU N N 15 120.226 0.300 . 1 . . . . 14 GLU N . 26683 1 25 . 1 1 15 15 ALA H H 1 7.574 0.020 . 1 . . . . 15 ALA H . 26683 1 26 . 1 1 15 15 ALA N N 15 120.572 0.300 . 1 . . . . 15 ALA N . 26683 1 27 . 1 1 16 16 PHE H H 1 8.441 0.020 . 1 . . . . 16 PHE H . 26683 1 28 . 1 1 16 16 PHE N N 15 117.574 0.300 . 1 . . . . 16 PHE N . 26683 1 29 . 1 1 17 17 SER H H 1 8.339 0.020 . 1 . . . . 17 SER H . 26683 1 30 . 1 1 17 17 SER N N 15 110.792 0.300 . 1 . . . . 17 SER N . 26683 1 31 . 1 1 18 18 LEU H H 1 7.278 0.020 . 1 . . . . 18 LEU H . 26683 1 32 . 1 1 18 18 LEU N N 15 120.947 0.300 . 1 . . . . 18 LEU N . 26683 1 33 . 1 1 19 19 PHE H H 1 7.308 0.020 . 1 . . . . 19 PHE H . 26683 1 34 . 1 1 19 19 PHE N N 15 114.477 0.300 . 1 . . . . 19 PHE N . 26683 1 35 . 1 1 20 20 ASP H H 1 7.228 0.020 . 1 . . . . 20 ASP H . 26683 1 36 . 1 1 20 20 ASP N N 15 122.233 0.300 . 1 . . . . 20 ASP N . 26683 1 37 . 1 1 21 21 LYS H H 1 8.001 0.020 . 1 . . . . 21 LYS H . 26683 1 38 . 1 1 21 21 LYS N N 15 123.433 0.300 . 1 . . . . 21 LYS N . 26683 1 39 . 1 1 22 22 ASP H H 1 8.653 0.020 . 1 . . . . 22 ASP H . 26683 1 40 . 1 1 22 22 ASP N N 15 116.965 0.300 . 1 . . . . 22 ASP N . 26683 1 41 . 1 1 23 23 GLY H H 1 7.939 0.020 . 1 . . . . 23 GLY H . 26683 1 42 . 1 1 23 23 GLY N N 15 110.063 0.300 . 1 . . . . 23 GLY N . 26683 1 43 . 1 1 24 24 ASP H H 1 8.696 0.020 . 1 . . . . 24 ASP H . 26683 1 44 . 1 1 24 24 ASP N N 15 120.533 0.300 . 1 . . . . 24 ASP N . 26683 1 45 . 1 1 25 25 GLY H H 1 10.101 0.020 . 1 . . . . 25 GLY H . 26683 1 46 . 1 1 25 25 GLY N N 15 111.703 0.300 . 1 . . . . 25 GLY N . 26683 1 47 . 1 1 26 26 THR H H 1 7.511 0.020 . 1 . . . . 26 THR H . 26683 1 48 . 1 1 26 26 THR N N 15 109.533 0.300 . 1 . . . . 26 THR N . 26683 1 49 . 1 1 27 27 ILE H H 1 8.195 0.020 . 1 . . . . 27 ILE H . 26683 1 50 . 1 1 27 27 ILE N N 15 110.193 0.300 . 1 . . . . 27 ILE N . 26683 1 51 . 1 1 28 28 THR H H 1 8.258 0.020 . 1 . . . . 28 THR H . 26683 1 52 . 1 1 28 28 THR N N 15 110.521 0.300 . 1 . . . . 28 THR N . 26683 1 53 . 1 1 29 29 THR H H 1 8.224 0.020 . 1 . . . . 29 THR H . 26683 1 54 . 1 1 29 29 THR N N 15 112.262 0.300 . 1 . . . . 29 THR N . 26683 1 55 . 1 1 30 30 LYS H H 1 7.561 0.020 . 1 . . . . 30 LYS H . 26683 1 56 . 1 1 30 30 LYS N N 15 118.659 0.300 . 1 . . . . 30 LYS N . 26683 1 57 . 1 1 31 31 GLU H H 1 7.440 0.020 . 1 . . . . 31 GLU H . 26683 1 58 . 1 1 31 31 GLU N N 15 117.284 0.300 . 1 . . . . 31 GLU N . 26683 1 59 . 1 1 32 32 LEU H H 1 7.270 0.020 . 1 . . . . 32 LEU H . 26683 1 60 . 1 1 32 32 LEU N N 15 120.701 0.300 . 1 . . . . 32 LEU N . 26683 1 61 . 1 1 33 33 GLY H H 1 8.723 0.020 . 1 . . . . 33 GLY H . 26683 1 62 . 1 1 33 33 GLY N N 15 105.223 0.300 . 1 . . . . 33 GLY N . 26683 1 63 . 1 1 34 34 THR H H 1 7.436 0.020 . 1 . . . . 34 THR H . 26683 1 64 . 1 1 34 34 THR N N 15 118.155 0.300 . 1 . . . . 34 THR N . 26683 1 65 . 1 1 35 35 VAL H H 1 7.891 0.020 . 1 . . . . 35 VAL H . 26683 1 66 . 1 1 35 35 VAL N N 15 122.496 0.300 . 1 . . . . 35 VAL N . 26683 1 67 . 1 1 36 36 MET H H 1 8.386 0.020 . 1 . . . . 36 MET H . 26683 1 68 . 1 1 36 36 MET N N 15 118.307 0.300 . 1 . . . . 36 MET N . 26683 1 69 . 1 1 37 37 ARG H H 1 8.438 0.020 . 1 . . . . 37 ARG H . 26683 1 70 . 1 1 37 37 ARG N N 15 119.204 0.300 . 1 . . . . 37 ARG N . 26683 1 71 . 1 1 38 38 SER H H 1 8.040 0.020 . 1 . . . . 38 SER H . 26683 1 72 . 1 1 38 38 SER N N 15 118.782 0.300 . 1 . . . . 38 SER N . 26683 1 73 . 1 1 39 39 LEU H H 1 7.263 0.020 . 1 . . . . 39 LEU H . 26683 1 74 . 1 1 39 39 LEU N N 15 120.896 0.300 . 1 . . . . 39 LEU N . 26683 1 75 . 1 1 40 40 GLY H H 1 7.841 0.020 . 1 . . . . 40 GLY H . 26683 1 76 . 1 1 40 40 GLY N N 15 106.903 0.300 . 1 . . . . 40 GLY N . 26683 1 77 . 1 1 41 41 GLN H H 1 7.691 0.020 . 1 . . . . 41 GLN H . 26683 1 78 . 1 1 41 41 GLN N N 15 117.431 0.300 . 1 . . . . 41 GLN N . 26683 1 79 . 1 1 42 42 ASN H H 1 8.592 0.020 . 1 . . . . 42 ASN H . 26683 1 80 . 1 1 42 42 ASN N N 15 116.392 0.300 . 1 . . . . 42 ASN N . 26683 1 81 . 1 1 44 44 THR H H 1 8.711 0.020 . 1 . . . . 44 THR H . 26683 1 82 . 1 1 44 44 THR N N 15 113.033 0.300 . 1 . . . . 44 THR N . 26683 1 83 . 1 1 45 45 GLU H H 1 8.781 0.020 . 1 . . . . 45 GLU H . 26683 1 84 . 1 1 45 45 GLU N N 15 120.233 0.300 . 1 . . . . 45 GLU N . 26683 1 85 . 1 1 46 46 ALA H H 1 8.251 0.020 . 1 . . . . 46 ALA H . 26683 1 86 . 1 1 46 46 ALA N N 15 120.833 0.300 . 1 . . . . 46 ALA N . 26683 1 87 . 1 1 47 47 GLU H H 1 7.668 0.020 . 1 . . . . 47 GLU H . 26683 1 88 . 1 1 47 47 GLU N N 15 118.672 0.300 . 1 . . . . 47 GLU N . 26683 1 89 . 1 1 48 48 LEU H H 1 8.254 0.020 . 1 . . . . 48 LEU H . 26683 1 90 . 1 1 48 48 LEU N N 15 119.899 0.300 . 1 . . . . 48 LEU N . 26683 1 91 . 1 1 49 49 GLN H H 1 7.984 0.020 . 1 . . . . 49 GLN H . 26683 1 92 . 1 1 49 49 GLN N N 15 117.333 0.300 . 1 . . . . 49 GLN N . 26683 1 93 . 1 1 50 50 ASP H H 1 7.773 0.020 . 1 . . . . 50 ASP H . 26683 1 94 . 1 1 50 50 ASP N N 15 118.711 0.300 . 1 . . . . 50 ASP N . 26683 1 95 . 1 1 51 51 MET H H 1 7.891 0.020 . 1 . . . . 51 MET H . 26683 1 96 . 1 1 51 51 MET N N 15 118.933 0.300 . 1 . . . . 51 MET N . 26683 1 97 . 1 1 52 52 ILE H H 1 8.254 0.020 . 1 . . . . 52 ILE H . 26683 1 98 . 1 1 52 52 ILE N N 15 118.950 0.300 . 1 . . . . 52 ILE N . 26683 1 99 . 1 1 53 53 ASN H H 1 8.197 0.020 . 1 . . . . 53 ASN H . 26683 1 100 . 1 1 53 53 ASN N N 15 117.177 0.300 . 1 . . . . 53 ASN N . 26683 1 101 . 1 1 54 54 GLU H H 1 7.507 0.020 . 1 . . . . 54 GLU H . 26683 1 102 . 1 1 54 54 GLU N N 15 117.133 0.300 . 1 . . . . 54 GLU N . 26683 1 103 . 1 1 55 55 VAL H H 1 7.552 0.020 . 1 . . . . 55 VAL H . 26683 1 104 . 1 1 55 55 VAL N N 15 112.677 0.300 . 1 . . . . 55 VAL N . 26683 1 105 . 1 1 56 56 ASP H H 1 8.373 0.020 . 1 . . . . 56 ASP H . 26683 1 106 . 1 1 56 56 ASP N N 15 121.733 0.300 . 1 . . . . 56 ASP N . 26683 1 107 . 1 1 57 57 ALA H H 1 8.078 0.020 . 1 . . . . 57 ALA H . 26683 1 108 . 1 1 57 57 ALA N N 15 124.767 0.300 . 1 . . . . 57 ALA N . 26683 1 109 . 1 1 58 58 ASP H H 1 8.355 0.020 . 1 . . . . 58 ASP H . 26683 1 110 . 1 1 58 58 ASP N N 15 114.648 0.300 . 1 . . . . 58 ASP N . 26683 1 111 . 1 1 59 59 GLY H H 1 7.832 0.020 . 1 . . . . 59 GLY H . 26683 1 112 . 1 1 59 59 GLY N N 15 108.723 0.300 . 1 . . . . 59 GLY N . 26683 1 113 . 1 1 60 60 ASN H H 1 9.182 0.020 . 1 . . . . 60 ASN H . 26683 1 114 . 1 1 60 60 ASN N N 15 119.562 0.300 . 1 . . . . 60 ASN N . 26683 1 115 . 1 1 61 61 GLY H H 1 9.888 0.020 . 1 . . . . 61 GLY H . 26683 1 116 . 1 1 61 61 GLY N N 15 109.859 0.300 . 1 . . . . 61 GLY N . 26683 1 117 . 1 1 62 62 THR H H 1 7.497 0.020 . 1 . . . . 62 THR H . 26683 1 118 . 1 1 62 62 THR N N 15 110.650 0.300 . 1 . . . . 62 THR N . 26683 1 119 . 1 1 63 63 ILE H H 1 8.832 0.020 . 1 . . . . 63 ILE H . 26683 1 120 . 1 1 63 63 ILE N N 15 118.662 0.300 . 1 . . . . 63 ILE N . 26683 1 121 . 1 1 64 64 ASP H H 1 8.354 0.020 . 1 . . . . 64 ASP H . 26683 1 122 . 1 1 64 64 ASP N N 15 124.049 0.300 . 1 . . . . 64 ASP N . 26683 1 123 . 1 1 65 65 PHE H H 1 8.577 0.020 . 1 . . . . 65 PHE H . 26683 1 124 . 1 1 65 65 PHE N N 15 118.448 0.300 . 1 . . . . 65 PHE N . 26683 1 125 . 1 1 67 67 GLU H H 1 8.021 0.020 . 1 . . . . 67 GLU H . 26683 1 126 . 1 1 67 67 GLU N N 15 117.392 0.300 . 1 . . . . 67 GLU N . 26683 1 127 . 1 1 68 68 PHE H H 1 8.401 0.020 . 1 . . . . 68 PHE H . 26683 1 128 . 1 1 68 68 PHE N N 15 122.199 0.300 . 1 . . . . 68 PHE N . 26683 1 129 . 1 1 69 69 LEU H H 1 8.393 0.020 . 1 . . . . 69 LEU H . 26683 1 130 . 1 1 69 69 LEU N N 15 118.488 0.300 . 1 . . . . 69 LEU N . 26683 1 131 . 1 1 70 70 THR H H 1 7.651 0.020 . 1 . . . . 70 THR H . 26683 1 132 . 1 1 70 70 THR N N 15 115.233 0.300 . 1 . . . . 70 THR N . 26683 1 133 . 1 1 71 71 MET H H 1 7.668 0.020 . 1 . . . . 71 MET H . 26683 1 134 . 1 1 71 71 MET N N 15 121.155 0.300 . 1 . . . . 71 MET N . 26683 1 135 . 1 1 72 72 MET H H 1 7.948 0.020 . 1 . . . . 72 MET H . 26683 1 136 . 1 1 72 72 MET N N 15 117.240 0.300 . 1 . . . . 72 MET N . 26683 1 137 . 1 1 73 73 ALA H H 1 8.179 0.020 . 1 . . . . 73 ALA H . 26683 1 138 . 1 1 73 73 ALA N N 15 120.928 0.300 . 1 . . . . 73 ALA N . 26683 1 139 . 1 1 74 74 ARG H H 1 7.394 0.020 . 1 . . . . 74 ARG H . 26683 1 140 . 1 1 74 74 ARG N N 15 116.495 0.300 . 1 . . . . 74 ARG N . 26683 1 141 . 1 1 75 75 LYS H H 1 7.641 0.020 . 1 . . . . 75 LYS H . 26683 1 142 . 1 1 75 75 LYS N N 15 118.033 0.300 . 1 . . . . 75 LYS N . 26683 1 143 . 1 1 76 76 MET H H 1 7.871 0.020 . 1 . . . . 76 MET H . 26683 1 144 . 1 1 76 76 MET N N 15 117.633 0.300 . 1 . . . . 76 MET N . 26683 1 145 . 1 1 77 77 LYS H H 1 7.652 0.020 . 1 . . . . 77 LYS H . 26683 1 146 . 1 1 77 77 LYS N N 15 120.409 0.300 . 1 . . . . 77 LYS N . 26683 1 147 . 1 1 78 78 ASP H H 1 8.228 0.020 . 1 . . . . 78 ASP H . 26683 1 148 . 1 1 78 78 ASP N N 15 121.767 0.300 . 1 . . . . 78 ASP N . 26683 1 149 . 1 1 79 79 THR H H 1 8.039 0.020 . 1 . . . . 79 THR H . 26683 1 150 . 1 1 79 79 THR N N 15 114.252 0.300 . 1 . . . . 79 THR N . 26683 1 151 . 1 1 80 80 ASP H H 1 8.352 0.020 . 1 . . . . 80 ASP H . 26683 1 152 . 1 1 80 80 ASP N N 15 122.925 0.300 . 1 . . . . 80 ASP N . 26683 1 153 . 1 1 81 81 SER H H 1 8.320 0.020 . 1 . . . . 81 SER H . 26683 1 154 . 1 1 81 81 SER N N 15 116.613 0.300 . 1 . . . . 81 SER N . 26683 1 155 . 1 1 82 82 GLU H H 1 8.353 0.020 . 1 . . . . 82 GLU H . 26683 1 156 . 1 1 82 82 GLU N N 15 121.876 0.300 . 1 . . . . 82 GLU N . 26683 1 157 . 1 1 83 83 GLU H H 1 8.125 0.020 . 1 . . . . 83 GLU H . 26683 1 158 . 1 1 83 83 GLU N N 15 119.864 0.300 . 1 . . . . 83 GLU N . 26683 1 159 . 1 1 84 84 GLU H H 1 7.900 0.020 . 1 . . . . 84 GLU H . 26683 1 160 . 1 1 84 84 GLU N N 15 118.973 0.300 . 1 . . . . 84 GLU N . 26683 1 161 . 1 1 85 85 ILE H H 1 7.977 0.020 . 1 . . . . 85 ILE H . 26683 1 162 . 1 1 85 85 ILE N N 15 120.899 0.300 . 1 . . . . 85 ILE N . 26683 1 163 . 1 1 86 86 ARG H H 1 8.179 0.020 . 1 . . . . 86 ARG H . 26683 1 164 . 1 1 86 86 ARG N N 15 121.318 0.300 . 1 . . . . 86 ARG N . 26683 1 165 . 1 1 87 87 GLU H H 1 8.265 0.020 . 1 . . . . 87 GLU H . 26683 1 166 . 1 1 87 87 GLU N N 15 119.274 0.300 . 1 . . . . 87 GLU N . 26683 1 167 . 1 1 88 88 ALA H H 1 7.866 0.020 . 1 . . . . 88 ALA H . 26683 1 168 . 1 1 88 88 ALA N N 15 122.173 0.300 . 1 . . . . 88 ALA N . 26683 1 169 . 1 1 89 89 PHE H H 1 7.883 0.020 . 1 . . . . 89 PHE H . 26683 1 170 . 1 1 89 89 PHE N N 15 116.002 0.300 . 1 . . . . 89 PHE N . 26683 1 171 . 1 1 93 93 ALA H H 1 7.973 0.020 . 1 . . . . 93 ALA H . 26683 1 172 . 1 1 93 93 ALA N N 15 122.815 0.300 . 1 . . . . 93 ALA N . 26683 1 173 . 1 1 94 94 LYS H H 1 8.068 0.020 . 1 . . . . 94 LYS H . 26683 1 174 . 1 1 94 94 LYS N N 15 120.302 0.300 . 1 . . . . 94 LYS N . 26683 1 175 . 1 1 95 95 ASP H H 1 8.266 0.020 . 1 . . . . 95 ASP H . 26683 1 176 . 1 1 95 95 ASP N N 15 118.968 0.300 . 1 . . . . 95 ASP N . 26683 1 177 . 1 1 96 96 GLY H H 1 8.113 0.020 . 1 . . . . 96 GLY H . 26683 1 178 . 1 1 96 96 GLY N N 15 107.633 0.300 . 1 . . . . 96 GLY N . 26683 1 179 . 1 1 97 97 ASN H H 1 8.232 0.020 . 1 . . . . 97 ASN H . 26683 1 180 . 1 1 97 97 ASN N N 15 117.894 0.300 . 1 . . . . 97 ASN N . 26683 1 181 . 1 1 98 98 GLY H H 1 8.304 0.020 . 1 . . . . 98 GLY H . 26683 1 182 . 1 1 98 98 GLY N N 15 107.446 0.300 . 1 . . . . 98 GLY N . 26683 1 183 . 1 1 99 99 TYR H H 1 7.843 0.020 . 1 . . . . 99 TYR H . 26683 1 184 . 1 1 99 99 TYR N N 15 118.763 0.300 . 1 . . . . 99 TYR N . 26683 1 185 . 1 1 101 101 SER H H 1 8.508 0.020 . 1 . . . . 101 SER H . 26683 1 186 . 1 1 101 101 SER N N 15 119.086 0.300 . 1 . . . . 101 SER N . 26683 1 187 . 1 1 102 102 ALA H H 1 8.676 0.020 . 1 . . . . 102 ALA H . 26683 1 188 . 1 1 102 102 ALA N N 15 124.846 0.300 . 1 . . . . 102 ALA N . 26683 1 189 . 1 1 103 103 ALA H H 1 8.225 0.020 . 1 . . . . 103 ALA H . 26683 1 190 . 1 1 103 103 ALA N N 15 118.990 0.300 . 1 . . . . 103 ALA N . 26683 1 191 . 1 1 104 104 GLU H H 1 7.739 0.020 . 1 . . . . 104 GLU H . 26683 1 192 . 1 1 104 104 GLU N N 15 118.542 0.300 . 1 . . . . 104 GLU N . 26683 1 193 . 1 1 105 105 LEU H H 1 8.078 0.020 . 1 . . . . 105 LEU H . 26683 1 194 . 1 1 105 105 LEU N N 15 120.754 0.300 . 1 . . . . 105 LEU N . 26683 1 195 . 1 1 106 106 ARG H H 1 8.023 0.020 . 1 . . . . 106 ARG H . 26683 1 196 . 1 1 106 106 ARG N N 15 117.594 0.300 . 1 . . . . 106 ARG N . 26683 1 197 . 1 1 107 107 HIS H H 1 7.695 0.020 . 1 . . . . 107 HIS H . 26683 1 198 . 1 1 107 107 HIS N N 15 117.689 0.300 . 1 . . . . 107 HIS N . 26683 1 199 . 1 1 108 108 VAL H H 1 7.932 0.020 . 1 . . . . 108 VAL H . 26683 1 200 . 1 1 108 108 VAL N N 15 118.951 0.300 . 1 . . . . 108 VAL N . 26683 1 201 . 1 1 109 109 MET H H 1 8.140 0.020 . 1 . . . . 109 MET H . 26683 1 202 . 1 1 109 109 MET N N 15 117.489 0.300 . 1 . . . . 109 MET N . 26683 1 203 . 1 1 110 110 THR H H 1 7.914 0.020 . 1 . . . . 110 THR H . 26683 1 204 . 1 1 110 110 THR N N 15 112.447 0.300 . 1 . . . . 110 THR N . 26683 1 205 . 1 1 111 111 ASN H H 1 7.906 0.020 . 1 . . . . 111 ASN H . 26683 1 206 . 1 1 111 111 ASN N N 15 119.669 0.300 . 1 . . . . 111 ASN N . 26683 1 207 . 1 1 112 112 LEU H H 1 7.773 0.020 . 1 . . . . 112 LEU H . 26683 1 208 . 1 1 112 112 LEU N N 15 119.890 0.300 . 1 . . . . 112 LEU N . 26683 1 209 . 1 1 113 113 GLY H H 1 8.168 0.020 . 1 . . . . 113 GLY H . 26683 1 210 . 1 1 113 113 GLY N N 15 107.803 0.300 . 1 . . . . 113 GLY N . 26683 1 211 . 1 1 114 114 GLU H H 1 8.014 0.020 . 1 . . . . 114 GLU H . 26683 1 212 . 1 1 114 114 GLU N N 15 119.894 0.300 . 1 . . . . 114 GLU N . 26683 1 213 . 1 1 115 115 LYS H H 1 8.238 0.020 . 1 . . . . 115 LYS H . 26683 1 214 . 1 1 115 115 LYS N N 15 120.422 0.300 . 1 . . . . 115 LYS N . 26683 1 215 . 1 1 116 116 LEU H H 1 7.854 0.020 . 1 . . . . 116 LEU H . 26683 1 216 . 1 1 116 116 LEU N N 15 122.019 0.300 . 1 . . . . 116 LEU N . 26683 1 217 . 1 1 117 117 THR H H 1 8.774 0.020 . 1 . . . . 117 THR H . 26683 1 218 . 1 1 117 117 THR N N 15 113.451 0.300 . 1 . . . . 117 THR N . 26683 1 219 . 1 1 118 118 ASP H H 1 8.697 0.020 . 1 . . . . 118 ASP H . 26683 1 220 . 1 1 118 118 ASP N N 15 120.838 0.300 . 1 . . . . 118 ASP N . 26683 1 221 . 1 1 119 119 GLU H H 1 8.488 0.020 . 1 . . . . 119 GLU H . 26683 1 222 . 1 1 119 119 GLU N N 15 118.257 0.300 . 1 . . . . 119 GLU N . 26683 1 223 . 1 1 120 120 GLU H H 1 7.781 0.020 . 1 . . . . 120 GLU H . 26683 1 224 . 1 1 120 120 GLU N N 15 120.199 0.300 . 1 . . . . 120 GLU N . 26683 1 225 . 1 1 121 121 VAL H H 1 8.119 0.020 . 1 . . . . 121 VAL H . 26683 1 226 . 1 1 121 121 VAL N N 15 120.736 0.300 . 1 . . . . 121 VAL N . 26683 1 227 . 1 1 122 122 ASP H H 1 8.255 0.020 . 1 . . . . 122 ASP H . 26683 1 228 . 1 1 122 122 ASP N N 15 119.741 0.300 . 1 . . . . 122 ASP N . 26683 1 229 . 1 1 123 123 GLU H H 1 8.212 0.020 . 1 . . . . 123 GLU H . 26683 1 230 . 1 1 123 123 GLU N N 15 119.934 0.300 . 1 . . . . 123 GLU N . 26683 1 231 . 1 1 124 124 MET H H 1 7.853 0.020 . 1 . . . . 124 MET H . 26683 1 232 . 1 1 124 124 MET N N 15 119.225 0.300 . 1 . . . . 124 MET N . 26683 1 233 . 1 1 125 125 ILE H H 1 8.171 0.020 . 1 . . . . 125 ILE H . 26683 1 234 . 1 1 125 125 ILE N N 15 119.223 0.300 . 1 . . . . 125 ILE N . 26683 1 235 . 1 1 126 126 ARG H H 1 7.905 0.020 . 1 . . . . 126 ARG H . 26683 1 236 . 1 1 126 126 ARG N N 15 120.066 0.300 . 1 . . . . 126 ARG N . 26683 1 237 . 1 1 127 127 GLU H H 1 8.028 0.020 . 1 . . . . 127 GLU H . 26683 1 238 . 1 1 127 127 GLU N N 15 117.882 0.300 . 1 . . . . 127 GLU N . 26683 1 239 . 1 1 128 128 ALA H H 1 7.695 0.020 . 1 . . . . 128 ALA H . 26683 1 240 . 1 1 128 128 ALA N N 15 121.373 0.300 . 1 . . . . 128 ALA N . 26683 1 241 . 1 1 129 129 ALA H H 1 7.999 0.020 . 1 . . . . 129 ALA H . 26683 1 242 . 1 1 129 129 ALA N N 15 121.227 0.300 . 1 . . . . 129 ALA N . 26683 1 243 . 1 1 130 130 ILE H H 1 7.774 0.020 . 1 . . . . 130 ILE H . 26683 1 244 . 1 1 130 130 ILE N N 15 118.856 0.300 . 1 . . . . 130 ILE N . 26683 1 245 . 1 1 131 131 ASP H H 1 8.335 0.020 . 1 . . . . 131 ASP H . 26683 1 246 . 1 1 131 131 ASP N N 15 123.284 0.300 . 1 . . . . 131 ASP N . 26683 1 247 . 1 1 132 132 GLY H H 1 8.229 0.020 . 1 . . . . 132 GLY H . 26683 1 248 . 1 1 132 132 GLY N N 15 108.046 0.300 . 1 . . . . 132 GLY N . 26683 1 249 . 1 1 133 133 ASP H H 1 8.183 0.020 . 1 . . . . 133 ASP H . 26683 1 250 . 1 1 133 133 ASP N N 15 119.543 0.300 . 1 . . . . 133 ASP N . 26683 1 251 . 1 1 134 134 GLY H H 1 8.213 0.020 . 1 . . . . 134 GLY H . 26683 1 252 . 1 1 134 134 GLY N N 15 108.030 0.300 . 1 . . . . 134 GLY N . 26683 1 253 . 1 1 135 135 GLN H H 1 8.106 0.020 . 1 . . . . 135 GLN H . 26683 1 254 . 1 1 135 135 GLN N N 15 118.740 0.300 . 1 . . . . 135 GLN N . 26683 1 255 . 1 1 137 137 ASN H H 1 8.587 0.020 . 1 . . . . 137 ASN H . 26683 1 256 . 1 1 137 137 ASN N N 15 123.656 0.300 . 1 . . . . 137 ASN N . 26683 1 257 . 1 1 138 138 TYR H H 1 8.278 0.020 . 1 . . . . 138 TYR H . 26683 1 258 . 1 1 138 138 TYR N N 15 123.192 0.300 . 1 . . . . 138 TYR N . 26683 1 259 . 1 1 139 139 GLU H H 1 8.194 0.020 . 1 . . . . 139 GLU H . 26683 1 260 . 1 1 139 139 GLU N N 15 119.739 0.300 . 1 . . . . 139 GLU N . 26683 1 261 . 1 1 141 141 PHE H H 1 7.973 0.020 . 1 . . . . 141 PHE H . 26683 1 262 . 1 1 141 141 PHE N N 15 120.644 0.300 . 1 . . . . 141 PHE N . 26683 1 263 . 1 1 142 142 VAL H H 1 8.120 0.020 . 1 . . . . 142 VAL H . 26683 1 264 . 1 1 142 142 VAL N N 15 118.761 0.300 . 1 . . . . 142 VAL N . 26683 1 265 . 1 1 143 143 GLN H H 1 7.763 0.020 . 1 . . . . 143 GLN H . 26683 1 266 . 1 1 143 143 GLN N N 15 119.641 0.300 . 1 . . . . 143 GLN N . 26683 1 267 . 1 1 144 144 MET H H 1 7.788 0.020 . 1 . . . . 144 MET H . 26683 1 268 . 1 1 144 144 MET N N 15 116.758 0.300 . 1 . . . . 144 MET N . 26683 1 269 . 1 1 145 145 MET H H 1 7.870 0.020 . 1 . . . . 145 MET H . 26683 1 270 . 1 1 145 145 MET N N 15 117.399 0.300 . 1 . . . . 145 MET N . 26683 1 271 . 1 1 146 146 THR H H 1 7.649 0.020 . 1 . . . . 146 THR H . 26683 1 272 . 1 1 146 146 THR N N 15 111.439 0.300 . 1 . . . . 146 THR N . 26683 1 273 . 1 1 147 147 ALA H H 1 7.718 0.020 . 1 . . . . 147 ALA H . 26683 1 274 . 1 1 147 147 ALA N N 15 126.027 0.300 . 1 . . . . 147 ALA N . 26683 1 275 . 1 1 148 148 LYS H H 1 7.662 0.020 . 1 . . . . 148 LYS H . 26683 1 276 . 1 1 148 148 LYS N N 15 125.356 0.300 . 1 . . . . 148 LYS N . 26683 1 stop_ save_