################################### # 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 19412 _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' 1 $sample_1 . 19412 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 2 2 GLN H H 1 8.868 . . . . . . . A 2 GLN H . 19412 1 2 . 1 . 1 2 2 GLN N N 15 123.029 . . . . . . . A 2 GLN N . 19412 1 3 . 1 . 1 3 3 ILE H H 1 8.284 . . . . . . . A 3 ILE H . 19412 1 4 . 1 . 1 3 3 ILE N N 15 115.106 . . . . . . . A 3 ILE N . 19412 1 5 . 1 . 1 4 4 PHE H H 1 8.571 . . . . . . . A 4 PHE H . 19412 1 6 . 1 . 1 4 4 PHE N N 15 118.718 . . . . . . . A 4 PHE N . 19412 1 7 . 1 . 1 5 5 VAL H H 1 9.278 . . . . . . . A 5 VAL H . 19412 1 8 . 1 . 1 5 5 VAL N N 15 121.612 . . . . . . . A 5 VAL N . 19412 1 9 . 1 . 1 6 6 LYS H H 1 9.032 . . . . . . . A 6 LYS H . 19412 1 10 . 1 . 1 6 6 LYS N N 15 128.105 . . . . . . . A 6 LYS N . 19412 1 11 . 1 . 1 7 7 THR H H 1 8.625 . . . . . . . A 7 THR H . 19412 1 12 . 1 . 1 7 7 THR N N 15 115.240 . . . . . . . A 7 THR N . 19412 1 13 . 1 . 1 8 8 LEU H H 1 9.194 . . . . . . . A 8 LEU H . 19412 1 14 . 1 . 1 8 8 LEU N N 15 121.612 . . . . . . . A 8 LEU N . 19412 1 15 . 1 . 1 9 9 THR H H 1 7.618 . . . . . . . A 9 THR H . 19412 1 16 . 1 . 1 9 9 THR N N 15 105.816 . . . . . . . A 9 THR N . 19412 1 17 . 1 . 1 10 10 GLY H H 1 7.849 . . . . . . . A 10 GLY H . 19412 1 18 . 1 . 1 10 10 GLY N N 15 109.497 . . . . . . . A 10 GLY N . 19412 1 19 . 1 . 1 11 11 LYS H H 1 7.252 . . . . . . . A 11 LYS H . 19412 1 20 . 1 . 1 11 11 LYS N N 15 121.511 . . . . . . . A 11 LYS N . 19412 1 21 . 1 . 1 12 12 THR H H 1 8.652 . . . . . . . A 12 THR H . 19412 1 22 . 1 . 1 12 12 THR N N 15 120.259 . . . . . . . A 12 THR N . 19412 1 23 . 1 . 1 13 13 ILE H H 1 9.519 . . . . . . . A 13 ILE H . 19412 1 24 . 1 . 1 13 13 ILE N N 15 127.689 . . . . . . . A 13 ILE N . 19412 1 25 . 1 . 1 14 14 THR H H 1 8.712 . . . . . . . A 14 THR H . 19412 1 26 . 1 . 1 14 14 THR N N 15 121.636 . . . . . . . A 14 THR N . 19412 1 27 . 1 . 1 15 15 LEU H H 1 8.676 . . . . . . . A 15 LEU H . 19412 1 28 . 1 . 1 15 15 LEU N N 15 125.124 . . . . . . . A 15 LEU N . 19412 1 29 . 1 . 1 16 16 GLU H H 1 8.114 . . . . . . . A 16 GLU H . 19412 1 30 . 1 . 1 16 16 GLU N N 15 122.775 . . . . . . . A 16 GLU N . 19412 1 31 . 1 . 1 17 17 VAL H H 1 8.913 . . . . . . . A 17 VAL H . 19412 1 32 . 1 . 1 17 17 VAL N N 15 117.682 . . . . . . . A 17 VAL N . 19412 1 33 . 1 . 1 18 18 GLU H H 1 8.635 . . . . . . . A 18 GLU H . 19412 1 34 . 1 . 1 18 18 GLU N N 15 119.386 . . . . . . . A 18 GLU N . 19412 1 35 . 1 . 1 20 20 SER H H 1 7.010 . . . . . . . A 20 SER H . 19412 1 36 . 1 . 1 20 20 SER N N 15 103.545 . . . . . . . A 20 SER N . 19412 1 37 . 1 . 1 21 21 ASP H H 1 8.034 . . . . . . . A 21 ASP H . 19412 1 38 . 1 . 1 21 21 ASP N N 15 124.073 . . . . . . . A 21 ASP N . 19412 1 39 . 1 . 1 22 22 THR H H 1 7.858 . . . . . . . A 22 THR H . 19412 1 40 . 1 . 1 22 22 THR N N 15 109.123 . . . . . . . A 22 THR N . 19412 1 41 . 1 . 1 23 23 ILE H H 1 8.508 . . . . . . . A 23 ILE H . 19412 1 42 . 1 . 1 23 23 ILE N N 15 121.422 . . . . . . . A 23 ILE N . 19412 1 43 . 1 . 1 25 25 ASN H H 1 7.909 . . . . . . . A 25 ASN H . 19412 1 44 . 1 . 1 25 25 ASN N N 15 121.486 . . . . . . . A 25 ASN N . 19412 1 45 . 1 . 1 26 26 VAL H H 1 8.100 . . . . . . . A 26 VAL H . 19412 1 46 . 1 . 1 26 26 VAL N N 15 122.416 . . . . . . . A 26 VAL N . 19412 1 47 . 1 . 1 27 27 LYS H H 1 8.540 . . . . . . . A 27 LYS H . 19412 1 48 . 1 . 1 27 27 LYS N N 15 119.120 . . . . . . . A 27 LYS N . 19412 1 49 . 1 . 1 28 28 ALA H H 1 7.964 . . . . . . . A 28 ALA H . 19412 1 50 . 1 . 1 28 28 ALA N N 15 123.624 . . . . . . . A 28 ALA N . 19412 1 51 . 1 . 1 29 29 LYS H H 1 7.849 . . . . . . . A 29 LYS H . 19412 1 52 . 1 . 1 29 29 LYS N N 15 120.481 . . . . . . . A 29 LYS N . 19412 1 53 . 1 . 1 30 30 ILE H H 1 8.271 . . . . . . . A 30 ILE H . 19412 1 54 . 1 . 1 30 30 ILE N N 15 121.521 . . . . . . . A 30 ILE N . 19412 1 55 . 1 . 1 31 31 GLN H H 1 8.547 . . . . . . . A 31 GLN H . 19412 1 56 . 1 . 1 31 31 GLN N N 15 123.679 . . . . . . . A 31 GLN N . 19412 1 57 . 1 . 1 32 32 ASP H H 1 8.031 . . . . . . . A 32 ASP H . 19412 1 58 . 1 . 1 32 32 ASP N N 15 120.006 . . . . . . . A 32 ASP N . 19412 1 59 . 1 . 1 33 33 LYS H H 1 7.421 . . . . . . . A 33 LYS H . 19412 1 60 . 1 . 1 33 33 LYS N N 15 115.673 . . . . . . . A 33 LYS N . 19412 1 61 . 1 . 1 34 34 GLU H H 1 8.725 . . . . . . . A 34 GLU H . 19412 1 62 . 1 . 1 34 34 GLU N N 15 114.226 . . . . . . . A 34 GLU N . 19412 1 63 . 1 . 1 35 35 GLY H H 1 8.498 . . . . . . . A 35 GLY H . 19412 1 64 . 1 . 1 35 35 GLY N N 15 108.975 . . . . . . . A 35 GLY N . 19412 1 65 . 1 . 1 39 39 ASP H H 1 8.521 . . . . . . . A 39 ASP H . 19412 1 66 . 1 . 1 39 39 ASP N N 15 113.761 . . . . . . . A 39 ASP N . 19412 1 67 . 1 . 1 40 40 GLN H H 1 7.798 . . . . . . . A 40 GLN H . 19412 1 68 . 1 . 1 40 40 GLN N N 15 116.978 . . . . . . . A 40 GLN N . 19412 1 69 . 1 . 1 41 41 GLN H H 1 7.472 . . . . . . . A 41 GLN H . 19412 1 70 . 1 . 1 41 41 GLN N N 15 118.137 . . . . . . . A 41 GLN N . 19412 1 71 . 1 . 1 42 42 ARG H H 1 8.476 . . . . . . . A 42 ARG H . 19412 1 72 . 1 . 1 42 42 ARG N N 15 123.155 . . . . . . . A 42 ARG N . 19412 1 73 . 1 . 1 43 43 LEU H H 1 8.759 . . . . . . . A 43 LEU H . 19412 1 74 . 1 . 1 43 43 LEU N N 15 124.507 . . . . . . . A 43 LEU N . 19412 1 75 . 1 . 1 44 44 ILE H H 1 9.108 . . . . . . . A 44 ILE H . 19412 1 76 . 1 . 1 44 44 ILE N N 15 122.610 . . . . . . . A 44 ILE N . 19412 1 77 . 1 . 1 45 45 PHE H H 1 8.824 . . . . . . . A 45 PHE H . 19412 1 78 . 1 . 1 45 45 PHE N N 15 125.092 . . . . . . . A 45 PHE N . 19412 1 79 . 1 . 1 46 46 ALA H H 1 8.986 . . . . . . . A 46 ALA H . 19412 1 80 . 1 . 1 46 46 ALA N N 15 133.179 . . . . . . . A 46 ALA N . 19412 1 81 . 1 . 1 47 47 GLY H H 1 8.117 . . . . . . . A 47 GLY H . 19412 1 82 . 1 . 1 47 47 GLY N N 15 102.661 . . . . . . . A 47 GLY N . 19412 1 83 . 1 . 1 48 48 LYS H H 1 7.936 . . . . . . . A 48 LYS H . 19412 1 84 . 1 . 1 48 48 LYS N N 15 122.016 . . . . . . . A 48 LYS N . 19412 1 85 . 1 . 1 49 49 GLN H H 1 8.642 . . . . . . . A 49 GLN H . 19412 1 86 . 1 . 1 49 49 GLN N N 15 123.222 . . . . . . . A 49 GLN N . 19412 1 87 . 1 . 1 50 50 LEU H H 1 8.531 . . . . . . . A 50 LEU H . 19412 1 88 . 1 . 1 50 50 LEU N N 15 125.699 . . . . . . . A 50 LEU N . 19412 1 89 . 1 . 1 51 51 GLU H H 1 8.390 . . . . . . . A 51 GLU H . 19412 1 90 . 1 . 1 51 51 GLU N N 15 123.318 . . . . . . . A 51 GLU N . 19412 1 91 . 1 . 1 52 52 ASP H H 1 8.157 . . . . . . . A 52 ASP H . 19412 1 92 . 1 . 1 52 52 ASP N N 15 120.611 . . . . . . . A 52 ASP N . 19412 1 93 . 1 . 1 54 54 ARG H H 1 7.434 . . . . . . . A 54 ARG H . 19412 1 94 . 1 . 1 54 54 ARG N N 15 119.537 . . . . . . . A 54 ARG N . 19412 1 95 . 1 . 1 55 55 THR H H 1 8.808 . . . . . . . A 55 THR H . 19412 1 96 . 1 . 1 55 55 THR N N 15 108.948 . . . . . . . A 55 THR N . 19412 1 97 . 1 . 1 56 56 LEU H H 1 8.137 . . . . . . . A 56 LEU H . 19412 1 98 . 1 . 1 56 56 LEU N N 15 118.142 . . . . . . . A 56 LEU N . 19412 1 99 . 1 . 1 57 57 SER H H 1 8.441 . . . . . . . A 57 SER H . 19412 1 100 . 1 . 1 57 57 SER N N 15 113.575 . . . . . . . A 57 SER N . 19412 1 101 . 1 . 1 58 58 ASP H H 1 7.918 . . . . . . . A 58 ASP H . 19412 1 102 . 1 . 1 58 58 ASP N N 15 124.676 . . . . . . . A 58 ASP N . 19412 1 103 . 1 . 1 59 59 TYR H H 1 7.235 . . . . . . . A 59 TYR H . 19412 1 104 . 1 . 1 59 59 TYR N N 15 115.914 . . . . . . . A 59 TYR N . 19412 1 105 . 1 . 1 60 60 ASN H H 1 8.125 . . . . . . . A 60 ASN H . 19412 1 106 . 1 . 1 60 60 ASN N N 15 115.972 . . . . . . . A 60 ASN N . 19412 1 107 . 1 . 1 61 61 ILE H H 1 7.241 . . . . . . . A 61 ILE H . 19412 1 108 . 1 . 1 61 61 ILE N N 15 119.163 . . . . . . . A 61 ILE N . 19412 1 109 . 1 . 1 62 62 GLN H H 1 7.643 . . . . . . . A 62 GLN H . 19412 1 110 . 1 . 1 62 62 GLN N N 15 125.087 . . . . . . . A 62 GLN N . 19412 1 111 . 1 . 1 63 63 LYS H H 1 8.452 . . . . . . . A 63 LYS H . 19412 1 112 . 1 . 1 63 63 LYS N N 15 120.602 . . . . . . . A 63 LYS N . 19412 1 113 . 1 . 1 64 64 GLU H H 1 9.287 . . . . . . . A 64 GLU H . 19412 1 114 . 1 . 1 64 64 GLU N N 15 115.358 . . . . . . . A 64 GLU N . 19412 1 115 . 1 . 1 65 65 SER H H 1 7.724 . . . . . . . A 65 SER H . 19412 1 116 . 1 . 1 65 65 SER N N 15 115.187 . . . . . . . A 65 SER N . 19412 1 117 . 1 . 1 66 66 THR H H 1 8.681 . . . . . . . A 66 THR H . 19412 1 118 . 1 . 1 66 66 THR N N 15 117.545 . . . . . . . A 66 THR N . 19412 1 119 . 1 . 1 67 67 LEU H H 1 9.377 . . . . . . . A 67 LEU H . 19412 1 120 . 1 . 1 67 67 LEU N N 15 127.981 . . . . . . . A 67 LEU N . 19412 1 121 . 1 . 1 68 68 HIS H H 1 9.223 . . . . . . . A 68 HIS H . 19412 1 122 . 1 . 1 68 68 HIS N N 15 119.683 . . . . . . . A 68 HIS N . 19412 1 123 . 1 . 1 69 69 LEU H H 1 8.272 . . . . . . . A 69 LEU H . 19412 1 124 . 1 . 1 69 69 LEU N N 15 123.979 . . . . . . . A 69 LEU N . 19412 1 125 . 1 . 1 70 70 VAL H H 1 9.145 . . . . . . . A 70 VAL H . 19412 1 126 . 1 . 1 70 70 VAL N N 15 126.790 . . . . . . . A 70 VAL N . 19412 1 127 . 1 . 1 71 71 LEU H H 1 8.187 . . . . . . . A 71 LEU H . 19412 1 128 . 1 . 1 71 71 LEU N N 15 123.635 . . . . . . . A 71 LEU N . 19412 1 129 . 1 . 1 72 72 ARG H H 1 8.518 . . . . . . . A 72 ARG H . 19412 1 130 . 1 . 1 72 72 ARG N N 15 123.425 . . . . . . . A 72 ARG N . 19412 1 131 . 1 . 1 73 73 LEU H H 1 8.307 . . . . . . . A 73 LEU H . 19412 1 132 . 1 . 1 73 73 LEU N N 15 123.973 . . . . . . . A 73 LEU N . 19412 1 133 . 1 . 1 74 74 ARG H H 1 8.589 . . . . . . . A 74 ARG H . 19412 1 134 . 1 . 1 74 74 ARG N N 15 122.227 . . . . . . . A 74 ARG N . 19412 1 135 . 1 . 1 75 75 GLY H H 1 8.655 . . . . . . . A 75 GLY H . 19412 1 136 . 1 . 1 75 75 GLY N N 15 110.300 . . . . . . . A 75 GLY N . 19412 1 137 . 1 . 1 76 76 GLY H H 1 8.295 . . . . . . . A 76 GLY H . 19412 1 138 . 1 . 1 76 76 GLY N N 15 108.902 . . . . . . . A 76 GLY N . 19412 1 stop_ save_ ################################### # 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_chainB _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chainB _Assigned_chem_shift_list.Entry_ID 19412 _Assigned_chem_shift_list.ID 2 _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' 1 $sample_1 . 19412 2 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 . 2 . 1 2 2 GLN H H 1 8.880 . . . . . . . B 2 GLN H . 19412 2 2 . 2 . 1 2 2 GLN N N 15 123.236 . . . . . . . B 2 GLN N . 19412 2 3 . 2 . 1 3 3 ILE H H 1 8.279 . . . . . . . B 3 ILE H . 19412 2 4 . 2 . 1 3 3 ILE N N 15 115.200 . . . . . . . B 3 ILE N . 19412 2 5 . 2 . 1 4 4 PHE H H 1 8.557 . . . . . . . B 4 PHE H . 19412 2 6 . 2 . 1 4 4 PHE N N 15 118.584 . . . . . . . B 4 PHE N . 19412 2 7 . 2 . 1 5 5 VAL H H 1 9.264 . . . . . . . B 5 VAL H . 19412 2 8 . 2 . 1 5 5 VAL N N 15 121.742 . . . . . . . B 5 VAL N . 19412 2 9 . 2 . 1 6 6 LYS H H 1 8.973 . . . . . . . B 6 LYS H . 19412 2 10 . 2 . 1 6 6 LYS N N 15 127.775 . . . . . . . B 6 LYS N . 19412 2 11 . 2 . 1 7 7 THR H H 1 8.643 . . . . . . . B 7 THR H . 19412 2 12 . 2 . 1 7 7 THR N N 15 114.483 . . . . . . . B 7 THR N . 19412 2 13 . 2 . 1 8 8 LEU H H 1 9.243 . . . . . . . B 8 LEU H . 19412 2 14 . 2 . 1 8 8 LEU N N 15 121.566 . . . . . . . B 8 LEU N . 19412 2 15 . 2 . 1 9 9 THR H H 1 7.588 . . . . . . . B 9 THR H . 19412 2 16 . 2 . 1 9 9 THR N N 15 105.794 . . . . . . . B 9 THR N . 19412 2 17 . 2 . 1 10 10 GLY H H 1 7.756 . . . . . . . B 10 GLY H . 19412 2 18 . 2 . 1 10 10 GLY N N 15 109.060 . . . . . . . B 10 GLY N . 19412 2 19 . 2 . 1 11 11 LYS H H 1 7.256 . . . . . . . B 11 LYS H . 19412 2 20 . 2 . 1 11 11 LYS N N 15 122.217 . . . . . . . B 11 LYS N . 19412 2 21 . 2 . 1 12 12 THR H H 1 8.518 . . . . . . . B 12 THR H . 19412 2 22 . 2 . 1 12 12 THR N N 15 119.619 . . . . . . . B 12 THR N . 19412 2 23 . 2 . 1 13 13 ILE H H 1 9.540 . . . . . . . B 13 ILE H . 19412 2 24 . 2 . 1 13 13 ILE N N 15 127.701 . . . . . . . B 13 ILE N . 19412 2 25 . 2 . 1 14 14 THR H H 1 8.725 . . . . . . . B 14 THR H . 19412 2 26 . 2 . 1 14 14 THR N N 15 121.866 . . . . . . . B 14 THR N . 19412 2 27 . 2 . 1 15 15 LEU H H 1 8.640 . . . . . . . B 15 LEU H . 19412 2 28 . 2 . 1 15 15 LEU N N 15 125.088 . . . . . . . B 15 LEU N . 19412 2 29 . 2 . 1 16 16 GLU H H 1 8.108 . . . . . . . B 16 GLU H . 19412 2 30 . 2 . 1 16 16 GLU N N 15 122.786 . . . . . . . B 16 GLU N . 19412 2 31 . 2 . 1 17 17 VAL H H 1 8.917 . . . . . . . B 17 VAL H . 19412 2 32 . 2 . 1 17 17 VAL N N 15 117.749 . . . . . . . B 17 VAL N . 19412 2 33 . 2 . 1 18 18 GLU H H 1 8.630 . . . . . . . B 18 GLU H . 19412 2 34 . 2 . 1 18 18 GLU N N 15 119.401 . . . . . . . B 18 GLU N . 19412 2 35 . 2 . 1 20 20 SER H H 1 7.003 . . . . . . . B 20 SER H . 19412 2 36 . 2 . 1 20 20 SER N N 15 103.525 . . . . . . . B 20 SER N . 19412 2 37 . 2 . 1 21 21 ASP H H 1 8.033 . . . . . . . B 21 ASP H . 19412 2 38 . 2 . 1 21 21 ASP N N 15 124.103 . . . . . . . B 21 ASP N . 19412 2 39 . 2 . 1 22 22 THR H H 1 7.858 . . . . . . . B 22 THR H . 19412 2 40 . 2 . 1 22 22 THR N N 15 109.129 . . . . . . . B 22 THR N . 19412 2 41 . 2 . 1 23 23 ILE H H 1 8.495 . . . . . . . B 23 ILE H . 19412 2 42 . 2 . 1 23 23 ILE N N 15 121.543 . . . . . . . B 23 ILE N . 19412 2 43 . 2 . 1 25 25 ASN H H 1 7.904 . . . . . . . B 25 ASN H . 19412 2 44 . 2 . 1 25 25 ASN N N 15 121.427 . . . . . . . B 25 ASN N . 19412 2 45 . 2 . 1 26 26 VAL H H 1 8.106 . . . . . . . B 26 VAL H . 19412 2 46 . 2 . 1 26 26 VAL N N 15 122.552 . . . . . . . B 26 VAL N . 19412 2 47 . 2 . 1 27 27 LYS H H 1 8.494 . . . . . . . B 27 LYS H . 19412 2 48 . 2 . 1 27 27 LYS N N 15 119.073 . . . . . . . B 27 LYS N . 19412 2 49 . 2 . 1 28 28 ALA H H 1 7.958 . . . . . . . B 28 ALA H . 19412 2 50 . 2 . 1 28 28 ALA N N 15 123.429 . . . . . . . B 28 ALA N . 19412 2 51 . 2 . 1 29 29 LYS H H 1 7.905 . . . . . . . B 29 LYS H . 19412 2 52 . 2 . 1 29 29 LYS N N 15 120.622 . . . . . . . B 29 LYS N . 19412 2 53 . 2 . 1 30 30 ILE H H 1 8.233 . . . . . . . B 30 ILE H . 19412 2 54 . 2 . 1 30 30 ILE N N 15 121.781 . . . . . . . B 30 ILE N . 19412 2 55 . 2 . 1 31 31 GLN H H 1 8.453 . . . . . . . B 31 GLN H . 19412 2 56 . 2 . 1 31 31 GLN N N 15 123.419 . . . . . . . B 31 GLN N . 19412 2 57 . 2 . 1 32 32 ASP H H 1 8.130 . . . . . . . B 32 ASP H . 19412 2 58 . 2 . 1 32 32 ASP N N 15 120.245 . . . . . . . B 32 ASP N . 19412 2 59 . 2 . 1 33 33 LYS H H 1 7.526 . . . . . . . B 33 LYS H . 19412 2 60 . 2 . 1 33 33 LYS N N 15 115.791 . . . . . . . B 33 LYS N . 19412 2 61 . 2 . 1 34 34 GLU H H 1 8.601 . . . . . . . B 34 GLU H . 19412 2 62 . 2 . 1 34 34 GLU N N 15 113.553 . . . . . . . B 34 GLU N . 19412 2 63 . 2 . 1 35 35 GLY H H 1 8.480 . . . . . . . B 35 GLY H . 19412 2 64 . 2 . 1 35 35 GLY N N 15 109.192 . . . . . . . B 35 GLY N . 19412 2 65 . 2 . 1 39 39 ASP H H 1 8.517 . . . . . . . B 39 ASP H . 19412 2 66 . 2 . 1 39 39 ASP N N 15 113.827 . . . . . . . B 39 ASP N . 19412 2 67 . 2 . 1 40 40 GLN H H 1 7.755 . . . . . . . B 40 GLN H . 19412 2 68 . 2 . 1 40 40 GLN N N 15 116.970 . . . . . . . B 40 GLN N . 19412 2 69 . 2 . 1 41 41 GLN H H 1 7.458 . . . . . . . B 41 GLN H . 19412 2 70 . 2 . 1 41 41 GLN N N 15 118.013 . . . . . . . B 41 GLN N . 19412 2 71 . 2 . 1 42 42 ARG H H 1 8.453 . . . . . . . B 42 ARG H . 19412 2 72 . 2 . 1 42 42 ARG N N 15 123.419 . . . . . . . B 42 ARG N . 19412 2 73 . 2 . 1 43 43 LEU H H 1 8.738 . . . . . . . B 43 LEU H . 19412 2 74 . 2 . 1 43 43 LEU N N 15 124.728 . . . . . . . B 43 LEU N . 19412 2 75 . 2 . 1 44 44 ILE H H 1 9.138 . . . . . . . B 44 ILE H . 19412 2 76 . 2 . 1 44 44 ILE N N 15 122.673 . . . . . . . B 44 ILE N . 19412 2 77 . 2 . 1 45 45 PHE H H 1 8.791 . . . . . . . B 45 PHE H . 19412 2 78 . 2 . 1 45 45 PHE N N 15 124.936 . . . . . . . B 45 PHE N . 19412 2 79 . 2 . 1 46 46 ALA H H 1 8.963 . . . . . . . B 46 ALA H . 19412 2 80 . 2 . 1 46 46 ALA N N 15 133.183 . . . . . . . B 46 ALA N . 19412 2 81 . 2 . 1 47 47 GLY H H 1 8.115 . . . . . . . B 47 GLY H . 19412 2 82 . 2 . 1 47 47 GLY N N 15 102.679 . . . . . . . B 47 GLY N . 19412 2 83 . 2 . 1 48 48 LYS H H 1 7.925 . . . . . . . B 48 LYS H . 19412 2 84 . 2 . 1 48 48 LYS N N 15 122.115 . . . . . . . B 48 LYS N . 19412 2 85 . 2 . 1 49 49 GLN H H 1 8.635 . . . . . . . B 49 GLN H . 19412 2 86 . 2 . 1 49 49 GLN N N 15 123.259 . . . . . . . B 49 GLN N . 19412 2 87 . 2 . 1 50 50 LEU H H 1 8.534 . . . . . . . B 50 LEU H . 19412 2 88 . 2 . 1 50 50 LEU N N 15 125.722 . . . . . . . B 50 LEU N . 19412 2 89 . 2 . 1 51 51 GLU H H 1 8.389 . . . . . . . B 51 GLU H . 19412 2 90 . 2 . 1 51 51 GLU N N 15 123.340 . . . . . . . B 51 GLU N . 19412 2 91 . 2 . 1 52 52 ASP H H 1 8.163 . . . . . . . B 52 ASP H . 19412 2 92 . 2 . 1 52 52 ASP N N 15 120.653 . . . . . . . B 52 ASP N . 19412 2 93 . 2 . 1 54 54 ARG H H 1 7.441 . . . . . . . B 54 ARG H . 19412 2 94 . 2 . 1 54 54 ARG N N 15 119.577 . . . . . . . B 54 ARG N . 19412 2 95 . 2 . 1 55 55 THR H H 1 8.790 . . . . . . . B 55 THR H . 19412 2 96 . 2 . 1 55 55 THR N N 15 108.870 . . . . . . . B 55 THR N . 19412 2 97 . 2 . 1 56 56 LEU H H 1 8.128 . . . . . . . B 56 LEU H . 19412 2 98 . 2 . 1 56 56 LEU N N 15 118.171 . . . . . . . B 56 LEU N . 19412 2 99 . 2 . 1 57 57 SER H H 1 8.453 . . . . . . . B 57 SER H . 19412 2 100 . 2 . 1 57 57 SER N N 15 113.583 . . . . . . . B 57 SER N . 19412 2 101 . 2 . 1 58 58 ASP H H 1 7.916 . . . . . . . B 58 ASP H . 19412 2 102 . 2 . 1 58 58 ASP N N 15 124.699 . . . . . . . B 58 ASP N . 19412 2 103 . 2 . 1 59 59 TYR H H 1 7.228 . . . . . . . B 59 TYR H . 19412 2 104 . 2 . 1 59 59 TYR N N 15 115.935 . . . . . . . B 59 TYR N . 19412 2 105 . 2 . 1 60 60 ASN H H 1 8.119 . . . . . . . B 60 ASN H . 19412 2 106 . 2 . 1 60 60 ASN N N 15 115.961 . . . . . . . B 60 ASN N . 19412 2 107 . 2 . 1 61 61 ILE H H 1 7.234 . . . . . . . B 61 ILE H . 19412 2 108 . 2 . 1 61 61 ILE N N 15 119.171 . . . . . . . B 61 ILE N . 19412 2 109 . 2 . 1 62 62 GLN H H 1 7.640 . . . . . . . B 62 GLN H . 19412 2 110 . 2 . 1 62 62 GLN N N 15 125.047 . . . . . . . B 62 GLN N . 19412 2 111 . 2 . 1 63 63 LYS H H 1 8.450 . . . . . . . B 63 LYS H . 19412 2 112 . 2 . 1 63 63 LYS N N 15 120.600 . . . . . . . B 63 LYS N . 19412 2 113 . 2 . 1 64 64 GLU H H 1 9.286 . . . . . . . B 64 GLU H . 19412 2 114 . 2 . 1 64 64 GLU N N 15 115.431 . . . . . . . B 64 GLU N . 19412 2 115 . 2 . 1 65 65 SER H H 1 7.732 . . . . . . . B 65 SER H . 19412 2 116 . 2 . 1 65 65 SER N N 15 115.204 . . . . . . . B 65 SER N . 19412 2 117 . 2 . 1 66 66 THR H H 1 8.670 . . . . . . . B 66 THR H . 19412 2 118 . 2 . 1 66 66 THR N N 15 117.513 . . . . . . . B 66 THR N . 19412 2 119 . 2 . 1 67 67 LEU H H 1 9.384 . . . . . . . B 67 LEU H . 19412 2 120 . 2 . 1 67 67 LEU N N 15 128.045 . . . . . . . B 67 LEU N . 19412 2 121 . 2 . 1 68 68 HIS H H 1 9.198 . . . . . . . B 68 HIS H . 19412 2 122 . 2 . 1 68 68 HIS N N 15 119.763 . . . . . . . B 68 HIS N . 19412 2 123 . 2 . 1 69 69 LEU H H 1 8.314 . . . . . . . B 69 LEU H . 19412 2 124 . 2 . 1 69 69 LEU N N 15 124.082 . . . . . . . B 69 LEU N . 19412 2 125 . 2 . 1 70 70 VAL H H 1 9.145 . . . . . . . B 70 VAL H . 19412 2 126 . 2 . 1 70 70 VAL N N 15 126.987 . . . . . . . B 70 VAL N . 19412 2 127 . 2 . 1 71 71 LEU H H 1 8.203 . . . . . . . B 71 LEU H . 19412 2 128 . 2 . 1 71 71 LEU N N 15 124.144 . . . . . . . B 71 LEU N . 19412 2 129 . 2 . 1 72 72 ARG H H 1 8.550 . . . . . . . B 72 ARG H . 19412 2 130 . 2 . 1 72 72 ARG N N 15 124.225 . . . . . . . B 72 ARG N . 19412 2 131 . 2 . 1 73 73 LEU H H 1 8.334 . . . . . . . B 73 LEU H . 19412 2 132 . 2 . 1 73 73 LEU N N 15 124.375 . . . . . . . B 73 LEU N . 19412 2 133 . 2 . 1 74 74 ARG H H 1 8.487 . . . . . . . B 74 ARG H . 19412 2 134 . 2 . 1 74 74 ARG N N 15 121.748 . . . . . . . B 74 ARG N . 19412 2 135 . 2 . 1 75 75 GLY H H 1 8.576 . . . . . . . B 75 GLY H . 19412 2 136 . 2 . 1 75 75 GLY N N 15 110.516 . . . . . . . B 75 GLY N . 19412 2 137 . 2 . 1 76 76 GLY H H 1 8.178 . . . . . . . B 76 GLY H . 19412 2 138 . 2 . 1 76 76 GLY N N 15 109.292 . . . . . . . B 76 GLY N . 19412 2 stop_ save_