################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50397 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'assigned chem shift list 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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 50397 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 2 $software_2 . . 50397 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 6 6 LEU H H 1 8.004 0.020 . 1 . . . . . 2 LEU H . 50397 1 2 . 1 . 1 6 6 LEU N N 15 116.085 0.3 . 1 . . . . . 2 LEU N . 50397 1 3 . 1 . 1 7 7 SER H H 1 7.724 0.020 . 1 . . . . . 3 SER H . 50397 1 4 . 1 . 1 7 7 SER N N 15 113.644 0.3 . 1 . . . . . 3 SER N . 50397 1 5 . 1 . 1 8 8 ASN H H 1 7.784 0.020 . 1 . . . . . 4 ASN H . 50397 1 6 . 1 . 1 8 8 ASN N N 15 116.601 0.3 . 1 . . . . . 4 ASN N . 50397 1 7 . 1 . 1 9 9 PHE H H 1 7.877 0.020 . 1 . . . . . 5 PHE H . 50397 1 8 . 1 . 1 9 9 PHE N N 15 117.675 0.3 . 1 . . . . . 5 PHE N . 50397 1 9 . 1 . 1 10 10 GLU H H 1 9.474 0.020 . 1 . . . . . 6 GLU H . 50397 1 10 . 1 . 1 10 10 GLU N N 15 129.262 0.3 . 1 . . . . . 6 GLU N . 50397 1 11 . 1 . 1 11 11 HIS H H 1 8.195 0.020 . 1 . . . . . 7 HIS H . 50397 1 12 . 1 . 1 11 11 HIS N N 15 121.183 0.3 . 1 . . . . . 7 HIS N . 50397 1 13 . 1 . 1 12 12 LYS H H 1 9.112 0.020 . 1 . . . . . 8 LYS H . 50397 1 14 . 1 . 1 12 12 LYS N N 15 119.151 0.3 . 1 . . . . . 8 LYS N . 50397 1 15 . 1 . 1 14 14 ILE H H 1 8.766 0.020 . 1 . . . . . 10 ILE H . 50397 1 16 . 1 . 1 14 14 ILE N N 15 130.005 0.3 . 1 . . . . . 10 ILE N . 50397 1 17 . 1 . 1 15 15 THR H H 1 8.387 0.020 . 1 . . . . . 11 THR H . 50397 1 18 . 1 . 1 15 15 THR N N 15 110.046 0.3 . 1 . . . . . 11 THR N . 50397 1 19 . 1 . 1 16 16 GLU H H 1 8.875 0.3 . 1 . . . . . 12 GLU H . 50397 1 20 . 1 . 1 16 16 GLU N N 15 116.488 0.3 . 1 . . . . . 12 GLU N . 50397 1 21 . 1 . 1 17 17 CYS H H 1 7.619 0.020 . 1 . . . . . 13 CYS H . 50397 1 22 . 1 . 1 17 17 CYS N N 15 113.041 0.3 . 1 . . . . . 13 CYS N . 50397 1 23 . 1 . 1 19 19 THR H H 1 8.397 0.020 . 1 . . . . . 15 THR H . 50397 1 24 . 1 . 1 19 19 THR N N 15 126.988 0.3 . 1 . . . . . 15 THR N . 50397 1 25 . 1 . 1 20 20 ILE H H 1 9.016 0.020 . 1 . . . . . 16 ILE H . 50397 1 26 . 1 . 1 20 20 ILE N N 15 126.406 0.3 . 1 . . . . . 16 ILE N . 50397 1 27 . 1 . 1 21 21 VAL H H 1 9.399 0.020 . 1 . . . . . 17 VAL H . 50397 1 28 . 1 . 1 21 21 VAL N N 15 128.007 0.3 . 1 . . . . . 17 VAL N . 50397 1 29 . 1 . 1 22 22 LEU H H 1 8.239 0.020 . 1 . . . . . 18 LEU H . 50397 1 30 . 1 . 1 22 22 LEU N N 15 129.687 0.3 . 1 . . . . . 18 LEU N . 50397 1 31 . 1 . 1 23 23 GLY H H 1 8.45 0.020 . 1 . . . . . 19 GLY H . 50397 1 32 . 1 . 1 23 23 GLY N N 15 113.923 0.3 . 1 . . . . . 19 GLY N . 50397 1 33 . 1 . 1 24 24 ASP H H 1 7.619 0.020 . 1 . . . . . 20 ASP H . 50397 1 34 . 1 . 1 24 24 ASP N N 15 118.34 0.3 . 1 . . . . . 20 ASP N . 50397 1 35 . 1 . 1 26 26 ILE H H 1 7.929 0.020 . 1 . . . . . 22 ILE H . 50397 1 36 . 1 . 1 26 26 ILE N N 15 115.789 0.3 . 1 . . . . . 22 ILE N . 50397 1 37 . 1 . 1 27 27 GLN H H 1 7.351 0.020 . 1 . . . . . 23 GLN H . 50397 1 38 . 1 . 1 27 27 GLN N N 15 119.194 0.3 . 1 . . . . . 23 GLN N . 50397 1 39 . 1 . 1 28 28 VAL H H 1 7.94 0.020 . 1 . . . . . 24 VAL H . 50397 1 40 . 1 . 1 28 28 VAL N N 15 119.547 0.3 . 1 . . . . . 24 VAL N . 50397 1 41 . 1 . 1 30 30 LYS H H 1 7.454 0.020 . 1 . . . . . 26 LYS H . 50397 1 42 . 1 . 1 30 30 LYS N N 15 115.906 0.3 . 1 . . . . . 26 LYS N . 50397 1 43 . 1 . 1 31 31 CYS H H 1 7.498 0.020 . 1 . . . . . 27 CYS H . 50397 1 44 . 1 . 1 31 31 CYS N N 15 114.912 0.3 . 1 . . . . . 27 CYS N . 50397 1 45 . 1 . 1 32 32 TYR H H 1 7.534 0.020 . 1 . . . . . 28 TYR H . 50397 1 46 . 1 . 1 32 32 TYR N N 15 118.138 0.3 . 1 . . . . . 28 TYR N . 50397 1 47 . 1 . 1 33 33 GLY H H 1 8.726 0.020 . 1 . . . . . 29 GLY H . 50397 1 48 . 1 . 1 33 33 GLY N N 15 113.195 0.3 . 1 . . . . . 29 GLY N . 50397 1 49 . 1 . 1 34 34 GLU H H 1 9.026 0.020 . 1 . . . . . 30 GLU H . 50397 1 50 . 1 . 1 34 34 GLU N N 15 117.426 0.3 . 1 . . . . . 30 GLU N . 50397 1 51 . 1 . 1 35 35 SER H H 1 7.917 0.020 . 1 . . . . . 31 SER H . 50397 1 52 . 1 . 1 35 35 SER N N 15 115.271 0.3 . 1 . . . . . 31 SER N . 50397 1 53 . 1 . 1 36 36 VAL H H 1 7.51 0.020 . 1 . . . . . 32 VAL H . 50397 1 54 . 1 . 1 36 36 VAL N N 15 119.594 0.3 . 1 . . . . . 32 VAL N . 50397 1 55 . 1 . 1 37 37 LEU H H 1 7.359 0.020 . 1 . . . . . 33 LEU H . 50397 1 56 . 1 . 1 37 37 LEU N N 15 128.632 0.3 . 1 . . . . . 33 LEU N . 50397 1 57 . 1 . 1 39 39 ASN H H 1 8.113 0.020 . 1 . . . . . 35 ASN H . 50397 1 58 . 1 . 1 39 39 ASN N N 15 118.721 0.3 . 1 . . . . . 35 ASN N . 50397 1 59 . 1 . 1 40 40 ALA H H 1 6.01 0.020 . 1 . . . . . 36 ALA H . 50397 1 60 . 1 . 1 40 40 ALA N N 15 131.082 0.3 . 1 . . . . . 36 ALA N . 50397 1 61 . 1 . 1 41 41 ALA H H 1 8.061 0.020 . 1 . . . . . 37 ALA H . 50397 1 62 . 1 . 1 41 41 ALA N N 15 128.318 0.3 . 1 . . . . . 37 ALA N . 50397 1 63 . 1 . 1 42 42 ASN H H 1 7.276 0.020 . 1 . . . . . 38 ASN H . 50397 1 64 . 1 . 1 42 42 ASN N N 15 112.661 0.3 . 1 . . . . . 38 ASN N . 50397 1 65 . 1 . 1 43 43 THR H H 1 8.184 0.020 . 1 . . . . . 39 THR H . 50397 1 66 . 1 . 1 43 43 THR N N 15 107.39 0.3 . 1 . . . . . 39 THR N . 50397 1 67 . 1 . 1 44 44 HIS H H 1 7.285 0.020 . 1 . . . . . 40 HIS H . 50397 1 68 . 1 . 1 44 44 HIS N N 15 114.706 0.3 . 1 . . . . . 40 HIS N . 50397 1 69 . 1 . 1 45 45 LEU H H 1 8.013 0.020 . 1 . . . . . 41 LEU H . 50397 1 70 . 1 . 1 45 45 LEU N N 15 115.04 0.3 . 1 . . . . . 41 LEU N . 50397 1 71 . 1 . 1 46 46 LYS H H 1 8.027 0.020 . 1 . . . . . 42 LYS H . 50397 1 72 . 1 . 1 46 46 LYS N N 15 115.617 0.3 . 1 . . . . . 42 LYS N . 50397 1 73 . 1 . 1 48 48 GLY H H 1 7.89 0.020 . 1 . . . . . 44 GLY H . 50397 1 74 . 1 . 1 48 48 GLY N N 15 109.237 0.3 . 1 . . . . . 44 GLY N . 50397 1 75 . 1 . 1 49 49 GLY H H 1 7.889 0.020 . 1 . . . . . 45 GLY H . 50397 1 76 . 1 . 1 49 49 GLY N N 15 108.098 0.3 . 1 . . . . . 45 GLY N . 50397 1 77 . 1 . 1 50 50 GLY H H 1 8.618 0.020 . 1 . . . . . 46 GLY H . 50397 1 78 . 1 . 1 50 50 GLY N N 15 108.81 0.3 . 1 . . . . . 46 GLY N . 50397 1 79 . 1 . 1 51 51 ILE H H 1 8.65 0.020 . 1 . . . . . 47 ILE H . 50397 1 80 . 1 . 1 51 51 ILE N N 15 126.238 0.3 . 1 . . . . . 47 ILE N . 50397 1 81 . 1 . 1 52 52 ALA H H 1 8.573 0.020 . 1 . . . . . 48 ALA H . 50397 1 82 . 1 . 1 52 52 ALA N N 15 127.729 0.3 . 1 . . . . . 48 ALA N . 50397 1 83 . 1 . 1 53 53 GLY H H 1 7.686 0.020 . 1 . . . . . 49 GLY H . 50397 1 84 . 1 . 1 53 53 GLY N N 15 105.873 0.3 . 1 . . . . . 49 GLY N . 50397 1 85 . 1 . 1 54 54 ALA H H 1 7.684 0.3 . 1 . . . . . 50 ALA H . 50397 1 86 . 1 . 1 54 54 ALA N N 15 127.037 0.3 . 1 . . . . . 50 ALA N . 50397 1 87 . 1 . 1 55 55 ILE H H 1 8.946 0.020 . 1 . . . . . 51 ILE H . 50397 1 88 . 1 . 1 55 55 ILE N N 15 123.095 0.3 . 1 . . . . . 51 ILE N . 50397 1 89 . 1 . 1 56 56 ASN H H 1 8.543 0.020 . 1 . . . . . 52 ASN H . 50397 1 90 . 1 . 1 56 56 ASN N N 15 117.091 0.3 . 1 . . . . . 52 ASN N . 50397 1 91 . 1 . 1 57 57 ALA H H 1 8.745 0.020 . 1 . . . . . 53 ALA H . 50397 1 92 . 1 . 1 57 57 ALA N N 15 124.512 0.3 . 1 . . . . . 53 ALA N . 50397 1 93 . 1 . 1 58 58 ALA H H 1 8.211 0.020 . 1 . . . . . 54 ALA H . 50397 1 94 . 1 . 1 58 58 ALA N N 15 123.287 0.3 . 1 . . . . . 54 ALA N . 50397 1 95 . 1 . 1 59 59 SER H H 1 7.732 0.020 . 1 . . . . . 55 SER H . 50397 1 96 . 1 . 1 59 59 SER N N 15 111.778 0.3 . 1 . . . . . 55 SER N . 50397 1 97 . 1 . 1 60 60 LYS H H 1 8.335 0.020 . 1 . . . . . 56 LYS H . 50397 1 98 . 1 . 1 60 60 LYS N N 15 121.61 0.3 . 1 . . . . . 56 LYS N . 50397 1 99 . 1 . 1 61 61 GLY H H 1 7.665 0.020 . 1 . . . . . 57 GLY H . 50397 1 100 . 1 . 1 61 61 GLY N N 15 103.877 0.3 . 1 . . . . . 57 GLY N . 50397 1 101 . 1 . 1 62 62 ALA H H 1 7.613 0.020 . 1 . . . . . 58 ALA H . 50397 1 102 . 1 . 1 62 62 ALA N N 15 125.813 0.3 . 1 . . . . . 58 ALA N . 50397 1 103 . 1 . 1 63 63 VAL H H 1 8.092 0.020 . 1 . . . . . 59 VAL H . 50397 1 104 . 1 . 1 63 63 VAL N N 15 117.628 0.3 . 1 . . . . . 59 VAL N . 50397 1 105 . 1 . 1 64 64 GLN H H 1 8.127 0.020 . 1 . . . . . 60 GLN H . 50397 1 106 . 1 . 1 64 64 GLN N N 15 123.451 0.3 . 1 . . . . . 60 GLN N . 50397 1 107 . 1 . 1 66 66 GLU H H 1 7.786 0.020 . 1 . . . . . 62 GLU H . 50397 1 108 . 1 . 1 66 66 GLU N N 15 119.55 0.3 . 1 . . . . . 62 GLU N . 50397 1 109 . 1 . 1 67 67 SER H H 1 8.276 0.020 . 1 . . . . . 63 SER H . 50397 1 110 . 1 . 1 67 67 SER N N 15 117.291 0.3 . 1 . . . . . 63 SER N . 50397 1 111 . 1 . 1 68 68 ASP H H 1 8.756 0.020 . 1 . . . . . 64 ASP H . 50397 1 112 . 1 . 1 68 68 ASP N N 15 122.977 0.3 . 1 . . . . . 64 ASP N . 50397 1 113 . 1 . 1 70 70 TYR H H 1 8.021 0.3 . 1 . . . . . 66 TYR H . 50397 1 114 . 1 . 1 70 70 TYR N N 15 122.89 0.3 . 1 . . . . . 66 TYR N . 50397 1 115 . 1 . 1 71 71 ILE H H 1 8.515 0.020 . 1 . . . . . 67 ILE H . 50397 1 116 . 1 . 1 71 71 ILE N N 15 120.227 0.3 . 1 . . . . . 67 ILE N . 50397 1 117 . 1 . 1 72 72 LEU H H 1 7.792 0.020 . 1 . . . . . 68 LEU H . 50397 1 118 . 1 . 1 72 72 LEU N N 15 121.258 0.3 . 1 . . . . . 68 LEU N . 50397 1 119 . 1 . 1 73 73 ALA H H 1 7.201 0.020 . 1 . . . . . 69 ALA H . 50397 1 120 . 1 . 1 73 73 ALA N N 15 118.795 0.3 . 1 . . . . . 69 ALA N . 50397 1 121 . 1 . 1 74 74 LYS H H 1 8.343 0.020 . 1 . . . . . 70 LYS H . 50397 1 122 . 1 . 1 74 74 LYS N N 15 115.575 0.3 . 1 . . . . . 70 LYS N . 50397 1 123 . 1 . 1 75 75 GLY H H 1 8.024 0.020 . 1 . . . . . 71 GLY H . 50397 1 124 . 1 . 1 75 75 GLY N N 15 110.629 0.3 . 1 . . . . . 71 GLY N . 50397 1 125 . 1 . 1 77 77 LEU H H 1 8.32 0.020 . 1 . . . . . 73 LEU H . 50397 1 126 . 1 . 1 77 77 LEU N N 15 122.885 0.3 . 1 . . . . . 73 LEU N . 50397 1 127 . 1 . 1 78 78 GLN H H 1 8.343 0.020 . 1 . . . . . 74 GLN H . 50397 1 128 . 1 . 1 78 78 GLN N N 15 116.897 0.3 . 1 . . . . . 74 GLN N . 50397 1 129 . 1 . 1 79 79 VAL H H 1 8.179 0.020 . 1 . . . . . 75 VAL H . 50397 1 130 . 1 . 1 79 79 VAL N N 15 120.629 0.3 . 1 . . . . . 75 VAL N . 50397 1 131 . 1 . 1 80 80 GLY H H 1 9.069 0.020 . 1 . . . . . 76 GLY H . 50397 1 132 . 1 . 1 80 80 GLY N N 15 118.353 0.3 . 1 . . . . . 76 GLY N . 50397 1 133 . 1 . 1 81 81 ASP H H 1 7.847 0.020 . 1 . . . . . 77 ASP H . 50397 1 134 . 1 . 1 81 81 ASP N N 15 119.688 0.3 . 1 . . . . . 77 ASP N . 50397 1 135 . 1 . 1 82 82 SER H H 1 7.816 0.020 . 1 . . . . . 78 SER H . 50397 1 136 . 1 . 1 82 82 SER N N 15 108.153 0.3 . 1 . . . . . 78 SER N . 50397 1 137 . 1 . 1 83 83 VAL H H 1 8.625 0.020 . 1 . . . . . 79 VAL H . 50397 1 138 . 1 . 1 83 83 VAL N N 15 117.534 0.3 . 1 . . . . . 79 VAL N . 50397 1 139 . 1 . 1 84 84 LEU H H 1 8.54 0.020 . 1 . . . . . 80 LEU H . 50397 1 140 . 1 . 1 84 84 LEU N N 15 131.952 0.3 . 1 . . . . . 80 LEU N . 50397 1 141 . 1 . 1 85 85 LEU H H 1 9.118 0.020 . 1 . . . . . 81 LEU H . 50397 1 142 . 1 . 1 85 85 LEU N N 15 131.059 0.3 . 1 . . . . . 81 LEU N . 50397 1 143 . 1 . 1 86 86 GLN H H 1 9.839 0.020 . 1 . . . . . 82 GLN H . 50397 1 144 . 1 . 1 86 86 GLN N N 15 121.422 0.3 . 1 . . . . . 82 GLN N . 50397 1 145 . 1 . 1 87 87 GLY H H 1 8.513 0.020 . 1 . . . . . 83 GLY H . 50397 1 146 . 1 . 1 87 87 GLY N N 15 104.559 0.3 . 1 . . . . . 83 GLY N . 50397 1 147 . 1 . 1 88 88 HIS H H 1 7.64 0.020 . 1 . . . . . 84 HIS H . 50397 1 148 . 1 . 1 88 88 HIS N N 15 114.108 0.3 . 1 . . . . . 84 HIS N . 50397 1 149 . 1 . 1 89 89 SER H H 1 8.579 0.020 . 1 . . . . . 85 SER H . 50397 1 150 . 1 . 1 89 89 SER N N 15 108.655 0.3 . 1 . . . . . 85 SER N . 50397 1 151 . 1 . 1 90 90 LEU H H 1 8.372 0.020 . 1 . . . . . 86 LEU H . 50397 1 152 . 1 . 1 90 90 LEU N N 15 122.636 0.3 . 1 . . . . . 86 LEU N . 50397 1 153 . 1 . 1 91 91 ALA H H 1 7.196 0.020 . 1 . . . . . 87 ALA H . 50397 1 154 . 1 . 1 91 91 ALA N N 15 115.866 0.3 . 1 . . . . . 87 ALA N . 50397 1 155 . 1 . 1 92 92 LYS H H 1 8.741 0.020 . 1 . . . . . 88 LYS H . 50397 1 156 . 1 . 1 92 92 LYS N N 15 122.384 0.3 . 1 . . . . . 88 LYS N . 50397 1 157 . 1 . 1 93 93 ASN H H 1 7.325 0.020 . 1 . . . . . 89 ASN H . 50397 1 158 . 1 . 1 93 93 ASN N N 15 108.256 0.3 . 1 . . . . . 89 ASN N . 50397 1 159 . 1 . 1 94 94 ILE H H 1 6.998 0.020 . 1 . . . . . 90 ILE H . 50397 1 160 . 1 . 1 94 94 ILE N N 15 119.486 0.3 . 1 . . . . . 90 ILE N . 50397 1 161 . 1 . 1 95 95 LEU H H 1 8.504 0.020 . 1 . . . . . 91 LEU H . 50397 1 162 . 1 . 1 95 95 LEU N N 15 129.736 0.3 . 1 . . . . . 91 LEU N . 50397 1 163 . 1 . 1 96 96 HIS H H 1 9.083 0.020 . 1 . . . . . 92 HIS H . 50397 1 164 . 1 . 1 96 96 HIS N N 15 130.042 0.3 . 1 . . . . . 92 HIS N . 50397 1 165 . 1 . 1 97 97 VAL H H 1 8.569 0.020 . 1 . . . . . 93 VAL H . 50397 1 166 . 1 . 1 97 97 VAL N N 15 121.051 0.3 . 1 . . . . . 93 VAL N . 50397 1 167 . 1 . 1 98 98 VAL H H 1 8.131 0.020 . 1 . . . . . 94 VAL H . 50397 1 168 . 1 . 1 98 98 VAL N N 15 127.085 0.3 . 1 . . . . . 94 VAL N . 50397 1 169 . 1 . 1 99 99 GLY H H 1 8.892 0.020 . 1 . . . . . 95 GLY H . 50397 1 170 . 1 . 1 99 99 GLY N N 15 114.638 0.3 . 1 . . . . . 95 GLY N . 50397 1 171 . 1 . 1 101 101 ASP H H 1 8.605 0.020 . 1 . . . . . 97 ASP H . 50397 1 172 . 1 . 1 101 101 ASP N N 15 120.632 0.3 . 1 . . . . . 97 ASP N . 50397 1 173 . 1 . 1 102 102 ALA H H 1 9.373 0.020 . 1 . . . . . 98 ALA H . 50397 1 174 . 1 . 1 102 102 ALA N N 15 130.223 0.3 . 1 . . . . . 98 ALA N . 50397 1 175 . 1 . 1 103 103 ARG H H 1 8.369 0.020 . 1 . . . . . 99 ARG H . 50397 1 176 . 1 . 1 103 103 ARG N N 15 119.407 0.3 . 1 . . . . . 99 ARG N . 50397 1 177 . 1 . 1 104 104 ALA H H 1 6.63 0.020 . 1 . . . . . 100 ALA H . 50397 1 178 . 1 . 1 104 104 ALA N N 15 118.542 0.3 . 1 . . . . . 100 ALA N . 50397 1 179 . 1 . 1 105 105 LYS H H 1 7.659 0.020 . 1 . . . . . 101 LYS H . 50397 1 180 . 1 . 1 105 105 LYS N N 15 113.35 0.3 . 1 . . . . . 101 LYS N . 50397 1 181 . 1 . 1 108 108 VAL H H 1 8.309 0.020 . 1 . . . . . 104 VAL H . 50397 1 182 . 1 . 1 108 108 VAL N N 15 128.171 0.3 . 1 . . . . . 104 VAL N . 50397 1 183 . 1 . 1 109 109 SER H H 1 8.284 0.020 . 1 . . . . . 105 SER H . 50397 1 184 . 1 . 1 109 109 SER N N 15 114.253 0.3 . 1 . . . . . 105 SER N . 50397 1 185 . 1 . 1 110 110 LEU H H 1 7.761 0.020 . 1 . . . . . 106 LEU H . 50397 1 186 . 1 . 1 110 110 LEU N N 15 124.592 0.3 . 1 . . . . . 106 LEU N . 50397 1 187 . 1 . 1 111 111 LEU H H 1 8.188 0.020 . 1 . . . . . 107 LEU H . 50397 1 188 . 1 . 1 111 111 LEU N N 15 119.678 0.3 . 1 . . . . . 107 LEU N . 50397 1 189 . 1 . 1 112 112 SER H H 1 7.615 0.020 . 1 . . . . . 108 SER H . 50397 1 190 . 1 . 1 112 112 SER N N 15 113.785 0.3 . 1 . . . . . 108 SER N . 50397 1 191 . 1 . 1 113 113 LYS H H 1 6.832 0.020 . 1 . . . . . 109 LYS H . 50397 1 192 . 1 . 1 113 113 LYS N N 15 120.055 0.3 . 1 . . . . . 109 LYS N . 50397 1 193 . 1 . 1 114 114 CYS H H 1 7.306 0.020 . 1 . . . . . 110 CYS H . 50397 1 194 . 1 . 1 114 114 CYS N N 15 117.529 0.3 . 1 . . . . . 110 CYS N . 50397 1 195 . 1 . 1 115 115 TYR H H 1 7.756 0.020 . 1 . . . . . 111 TYR H . 50397 1 196 . 1 . 1 115 115 TYR N N 15 113.045 0.3 . 1 . . . . . 111 TYR N . 50397 1 197 . 1 . 1 116 116 LYS H H 1 8.414 0.020 . 1 . . . . . 112 LYS H . 50397 1 198 . 1 . 1 116 116 LYS N N 15 119.89 0.3 . 1 . . . . . 112 LYS N . 50397 1 199 . 1 . 1 117 117 ALA H H 1 7.089 0.020 . 1 . . . . . 113 ALA H . 50397 1 200 . 1 . 1 117 117 ALA N N 15 119.419 0.3 . 1 . . . . . 113 ALA N . 50397 1 201 . 1 . 1 118 118 MET H H 1 7.306 0.020 . 1 . . . . . 114 MET H . 50397 1 202 . 1 . 1 118 118 MET N N 15 113.735 0.3 . 1 . . . . . 114 MET N . 50397 1 203 . 1 . 1 119 119 ASN H H 1 7.023 0.020 . 1 . . . . . 115 ASN H . 50397 1 204 . 1 . 1 119 119 ASN N N 15 110.876 0.3 . 1 . . . . . 115 ASN N . 50397 1 205 . 1 . 1 120 120 ALA H H 1 6.416 0.020 . 1 . . . . . 116 ALA H . 50397 1 206 . 1 . 1 120 120 ALA N N 15 119.897 0.3 . 1 . . . . . 116 ALA N . 50397 1 207 . 1 . 1 121 121 TYR H H 1 7.01 0.020 . 1 . . . . . 117 TYR H . 50397 1 208 . 1 . 1 121 121 TYR N N 15 118.939 0.3 . 1 . . . . . 117 TYR N . 50397 1 209 . 1 . 1 123 123 LEU H H 1 7.283 0.020 . 1 . . . . . 119 LEU H . 50397 1 210 . 1 . 1 123 123 LEU N N 15 118.125 0.3 . 1 . . . . . 119 LEU N . 50397 1 211 . 1 . 1 124 124 VAL H H 1 8.814 0.020 . 1 . . . . . 120 VAL H . 50397 1 212 . 1 . 1 124 124 VAL N N 15 130.386 0.3 . 1 . . . . . 120 VAL N . 50397 1 213 . 1 . 1 125 125 VAL H H 1 8.836 0.020 . 1 . . . . . 121 VAL H . 50397 1 214 . 1 . 1 125 125 VAL N N 15 127.739 0.3 . 1 . . . . . 121 VAL N . 50397 1 215 . 1 . 1 126 126 THR H H 1 8.993 0.020 . 1 . . . . . 122 THR H . 50397 1 216 . 1 . 1 126 126 THR N N 15 121.125 0.3 . 1 . . . . . 122 THR N . 50397 1 217 . 1 . 1 128 128 LEU H H 1 8.778 0.020 . 1 . . . . . 124 LEU H . 50397 1 218 . 1 . 1 128 128 LEU N N 15 117.048 0.3 . 1 . . . . . 124 LEU N . 50397 1 219 . 1 . 1 129 129 VAL H H 1 7.582 0.020 . 1 . . . . . 125 VAL H . 50397 1 220 . 1 . 1 129 129 VAL N N 15 129.069 0.3 . 1 . . . . . 125 VAL N . 50397 1 221 . 1 . 1 130 130 SER H H 1 8.63 0.020 . 1 . . . . . 126 SER H . 50397 1 222 . 1 . 1 130 130 SER N N 15 117.112 0.3 . 1 . . . . . 126 SER N . 50397 1 223 . 1 . 1 131 131 ALA H H 1 6.964 0.020 . 1 . . . . . 127 ALA H . 50397 1 224 . 1 . 1 131 131 ALA N N 15 119.591 0.3 . 1 . . . . . 127 ALA N . 50397 1 225 . 1 . 1 132 132 GLY H H 1 8.331 0.020 . 1 . . . . . 128 GLY H . 50397 1 226 . 1 . 1 132 132 GLY N N 15 110.813 0.3 . 1 . . . . . 128 GLY N . 50397 1 227 . 1 . 1 134 134 PHE H H 1 7.694 0.020 . 1 . . . . . 130 PHE H . 50397 1 228 . 1 . 1 134 134 PHE N N 15 118.816 0.3 . 1 . . . . . 130 PHE N . 50397 1 229 . 1 . 1 135 135 GLY H H 1 7.824 0.020 . 1 . . . . . 131 GLY H . 50397 1 230 . 1 . 1 135 135 GLY N N 15 102.514 0.3 . 1 . . . . . 131 GLY N . 50397 1 231 . 1 . 1 136 136 VAL H H 1 8.429 0.020 . 1 . . . . . 132 VAL H . 50397 1 232 . 1 . 1 136 136 VAL N N 15 123.343 0.3 . 1 . . . . . 132 VAL N . 50397 1 233 . 1 . 1 137 137 LYS H H 1 8.717 0.020 . 1 . . . . . 133 LYS H . 50397 1 234 . 1 . 1 137 137 LYS N N 15 128.788 0.3 . 1 . . . . . 133 LYS N . 50397 1 235 . 1 . 1 139 139 ALA H H 1 8.652 0.020 . 1 . . . . . 135 ALA H . 50397 1 236 . 1 . 1 139 139 ALA N N 15 115.51 0.3 . 1 . . . . . 135 ALA N . 50397 1 237 . 1 . 1 140 140 VAL H H 1 7.146 0.020 . 1 . . . . . 136 VAL H . 50397 1 238 . 1 . 1 140 140 VAL N N 15 118.175 0.3 . 1 . . . . . 136 VAL N . 50397 1 239 . 1 . 1 141 141 SER H H 1 7.104 0.020 . 1 . . . . . 137 SER H . 50397 1 240 . 1 . 1 141 141 SER N N 15 109.597 0.3 . 1 . . . . . 137 SER N . 50397 1 241 . 1 . 1 142 142 PHE H H 1 8.845 0.020 . 1 . . . . . 138 PHE H . 50397 1 242 . 1 . 1 142 142 PHE N N 15 116.952 0.3 . 1 . . . . . 138 PHE N . 50397 1 243 . 1 . 1 143 143 ASP H H 1 7.592 0.020 . 1 . . . . . 139 ASP H . 50397 1 244 . 1 . 1 143 143 ASP N N 15 118.177 0.3 . 1 . . . . . 139 ASP N . 50397 1 245 . 1 . 1 144 144 TYR H H 1 7.631 0.020 . 1 . . . . . 140 TYR H . 50397 1 246 . 1 . 1 144 144 TYR N N 15 115.351 0.3 . 1 . . . . . 140 TYR N . 50397 1 247 . 1 . 1 145 145 LEU H H 1 7.174 0.020 . 1 . . . . . 141 LEU H . 50397 1 248 . 1 . 1 145 145 LEU N N 15 121.425 0.3 . 1 . . . . . 141 LEU N . 50397 1 249 . 1 . 1 146 146 ILE H H 1 8.071 0.020 . 1 . . . . . 142 ILE H . 50397 1 250 . 1 . 1 146 146 ILE N N 15 116.985 0.3 . 1 . . . . . 142 ILE N . 50397 1 251 . 1 . 1 147 147 ARG H H 1 7.415 0.020 . 1 . . . . . 143 ARG H . 50397 1 252 . 1 . 1 147 147 ARG N N 15 117.981 0.3 . 1 . . . . . 143 ARG N . 50397 1 253 . 1 . 1 148 148 GLU H H 1 7.406 0.020 . 1 . . . . . 144 GLU H . 50397 1 254 . 1 . 1 148 148 GLU N N 15 113.934 0.3 . 1 . . . . . 144 GLU N . 50397 1 255 . 1 . 1 149 149 ALA H H 1 8.289 0.020 . 1 . . . . . 145 ALA H . 50397 1 256 . 1 . 1 149 149 ALA N N 15 122.12 0.3 . 1 . . . . . 145 ALA N . 50397 1 257 . 1 . 1 150 150 LYS H H 1 9.076 0.020 . 1 . . . . . 146 LYS H . 50397 1 258 . 1 . 1 150 150 LYS N N 15 122.58 0.3 . 1 . . . . . 146 LYS N . 50397 1 259 . 1 . 1 151 151 THR H H 1 7.038 0.020 . 1 . . . . . 147 THR H . 50397 1 260 . 1 . 1 151 151 THR N N 15 115.797 0.3 . 1 . . . . . 147 THR N . 50397 1 261 . 1 . 1 152 152 ARG H H 1 7.343 0.020 . 1 . . . . . 148 ARG H . 50397 1 262 . 1 . 1 152 152 ARG N N 15 120.222 0.3 . 1 . . . . . 148 ARG N . 50397 1 263 . 1 . 1 153 153 VAL H H 1 9.057 0.020 . 1 . . . . . 149 VAL H . 50397 1 264 . 1 . 1 153 153 VAL N N 15 126.467 0.3 . 1 . . . . . 149 VAL N . 50397 1 265 . 1 . 1 154 154 LEU H H 1 9.168 0.020 . 1 . . . . . 150 LEU H . 50397 1 266 . 1 . 1 154 154 LEU N N 15 129.211 0.3 . 1 . . . . . 150 LEU N . 50397 1 267 . 1 . 1 155 155 VAL H H 1 8.952 0.020 . 1 . . . . . 151 VAL H . 50397 1 268 . 1 . 1 155 155 VAL N N 15 124.863 0.3 . 1 . . . . . 151 VAL N . 50397 1 269 . 1 . 1 156 156 VAL H H 1 8.89 0.020 . 1 . . . . . 152 VAL H . 50397 1 270 . 1 . 1 156 156 VAL N N 15 128.378 0.3 . 1 . . . . . 152 VAL N . 50397 1 271 . 1 . 1 157 157 VAL H H 1 9.049 0.020 . 1 . . . . . 153 VAL H . 50397 1 272 . 1 . 1 157 157 VAL N N 15 122.787 0.3 . 1 . . . . . 153 VAL N . 50397 1 273 . 1 . 1 158 158 ASN H H 1 8.246 0.020 . 1 . . . . . 154 ASN H . 50397 1 274 . 1 . 1 158 158 ASN N N 15 120.513 0.3 . 1 . . . . . 154 ASN N . 50397 1 275 . 1 . 1 159 159 SER H H 1 7.039 0.020 . 1 . . . . . 155 SER H . 50397 1 276 . 1 . 1 159 159 SER N N 15 113.096 0.3 . 1 . . . . . 155 SER N . 50397 1 277 . 1 . 1 160 160 GLN H H 1 9.227 0.020 . 1 . . . . . 156 GLN H . 50397 1 278 . 1 . 1 160 160 GLN N N 15 129.992 0.3 . 1 . . . . . 156 GLN N . 50397 1 279 . 1 . 1 161 161 ASP H H 1 8.251 0.020 . 1 . . . . . 157 ASP H . 50397 1 280 . 1 . 1 161 161 ASP N N 15 118.961 0.3 . 1 . . . . . 157 ASP N . 50397 1 281 . 1 . 1 162 162 VAL H H 1 7.449 0.020 . 1 . . . . . 158 VAL H . 50397 1 282 . 1 . 1 162 162 VAL N N 15 121.756 0.3 . 1 . . . . . 158 VAL N . 50397 1 283 . 1 . 1 163 163 TYR H H 1 8.213 0.020 . 1 . . . . . 159 TYR H . 50397 1 284 . 1 . 1 163 163 TYR N N 15 120.496 0.3 . 1 . . . . . 159 TYR N . 50397 1 285 . 1 . 1 164 164 LYS H H 1 8.631 0.020 . 1 . . . . . 160 LYS H . 50397 1 286 . 1 . 1 164 164 LYS N N 15 118.911 0.3 . 1 . . . . . 160 LYS N . 50397 1 287 . 1 . 1 165 165 SER H H 1 7.515 0.020 . 1 . . . . . 161 SER H . 50397 1 288 . 1 . 1 165 165 SER N N 15 113.421 0.3 . 1 . . . . . 161 SER N . 50397 1 289 . 1 . 1 166 166 LEU H H 1 7.166 0.020 . 1 . . . . . 162 LEU H . 50397 1 290 . 1 . 1 166 166 LEU N N 15 118.95 0.3 . 1 . . . . . 162 LEU N . 50397 1 291 . 1 . 1 167 167 THR H H 1 7.067 0.020 . 1 . . . . . 163 THR H . 50397 1 292 . 1 . 1 167 167 THR N N 15 106.298 0.3 . 1 . . . . . 163 THR N . 50397 1 293 . 1 . 1 168 168 ILE H H 1 7.000 0.020 . 1 . . . . . 164 ILE H . 50397 1 294 . 1 . 1 168 168 ILE N N 15 125.816 0.3 . 1 . . . . . 164 ILE N . 50397 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_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 50397 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name 'assigned chem shift list 2' _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 50397 2 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 2 $software_2 . . 50397 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 . 1 . 1 6 6 LEU H H 1 7.982 0.020 . 1 . . . . . 2 LEU H . 50397 2 2 . 1 . 1 6 6 LEU N N 15 116.531 0.3 . 1 . . . . . 2 LEU N . 50397 2 3 . 1 . 1 7 7 SER H H 1 7.822 0.020 . 1 . . . . . 3 SER H . 50397 2 4 . 1 . 1 7 7 SER N N 15 113.809 0.3 . 1 . . . . . 3 SER N . 50397 2 5 . 1 . 1 8 8 ASN H H 1 7.908 0.020 . 1 . . . . . 4 ASN H . 50397 2 6 . 1 . 1 8 8 ASN N N 15 116.83 0.3 . 1 . . . . . 4 ASN N . 50397 2 7 . 1 . 1 9 9 PHE H H 1 8.038 0.020 . 1 . . . . . 5 PHE H . 50397 2 8 . 1 . 1 9 9 PHE N N 15 117.809 0.3 . 1 . . . . . 5 PHE N . 50397 2 9 . 1 . 1 10 10 GLU H H 1 9.436 0.020 . 1 . . . . . 6 GLU H . 50397 2 10 . 1 . 1 10 10 GLU N N 15 128.793 0.3 . 1 . . . . . 6 GLU N . 50397 2 11 . 1 . 1 11 11 HIS H H 1 8.176 0.020 . 1 . . . . . 7 HIS H . 50397 2 12 . 1 . 1 11 11 HIS N N 15 121.795 0.3 . 1 . . . . . 7 HIS N . 50397 2 13 . 1 . 1 12 12 LYS H H 1 9.191 0.020 . 1 . . . . . 8 LYS H . 50397 2 14 . 1 . 1 12 12 LYS N N 15 118.929 0.3 . 1 . . . . . 8 LYS N . 50397 2 15 . 1 . 1 14 14 ILE H H 1 8.846 0.020 . 1 . . . . . 10 ILE H . 50397 2 16 . 1 . 1 14 14 ILE N N 15 129.858 0.3 . 1 . . . . . 10 ILE N . 50397 2 17 . 1 . 1 15 15 THR H H 1 8.46 0.020 . 1 . . . . . 11 THR H . 50397 2 18 . 1 . 1 15 15 THR N N 15 110.079 0.3 . 1 . . . . . 11 THR N . 50397 2 19 . 1 . 1 16 16 GLU H H 1 8.959 0.3 . 1 . . . . . 12 GLU H . 50397 2 20 . 1 . 1 16 16 GLU N N 15 116.627 0.3 . 1 . . . . . 12 GLU N . 50397 2 21 . 1 . 1 17 17 CYS H H 1 7.636 0.020 . 1 . . . . . 13 CYS H . 50397 2 22 . 1 . 1 17 17 CYS N N 15 112.633 0.3 . 1 . . . . . 13 CYS N . 50397 2 23 . 1 . 1 19 19 THR H H 1 8.475 0.020 . 1 . . . . . 15 THR H . 50397 2 24 . 1 . 1 19 19 THR N N 15 126.739 0.3 . 1 . . . . . 15 THR N . 50397 2 25 . 1 . 1 20 20 ILE H H 1 9.092 0.020 . 1 . . . . . 16 ILE H . 50397 2 26 . 1 . 1 20 20 ILE N N 15 126.167 0.3 . 1 . . . . . 16 ILE N . 50397 2 27 . 1 . 1 21 21 VAL H H 1 9.538 0.020 . 1 . . . . . 17 VAL H . 50397 2 28 . 1 . 1 21 21 VAL N N 15 127.915 0.3 . 1 . . . . . 17 VAL N . 50397 2 29 . 1 . 1 22 22 LEU H H 1 8.356 0.020 . 1 . . . . . 18 LEU H . 50397 2 30 . 1 . 1 22 22 LEU N N 15 129.843 0.3 . 1 . . . . . 18 LEU N . 50397 2 31 . 1 . 1 23 23 GLY H H 1 8.469 0.020 . 1 . . . . . 19 GLY H . 50397 2 32 . 1 . 1 23 23 GLY N N 15 113.17 0.3 . 1 . . . . . 19 GLY N . 50397 2 33 . 1 . 1 24 24 ASP H H 1 7.724 0.020 . 1 . . . . . 20 ASP H . 50397 2 34 . 1 . 1 24 24 ASP N N 15 119.758 0.3 . 1 . . . . . 20 ASP N . 50397 2 35 . 1 . 1 26 26 ILE H H 1 7.971 0.020 . 1 . . . . . 22 ILE H . 50397 2 36 . 1 . 1 26 26 ILE N N 15 115.992 0.3 . 1 . . . . . 22 ILE N . 50397 2 37 . 1 . 1 27 27 GLN H H 1 7.472 0.020 . 1 . . . . . 23 GLN H . 50397 2 38 . 1 . 1 27 27 GLN N N 15 119.522 0.3 . 1 . . . . . 23 GLN N . 50397 2 39 . 1 . 1 28 28 VAL H H 1 8.021 0.020 . 1 . . . . . 24 VAL H . 50397 2 40 . 1 . 1 28 28 VAL N N 15 119.458 0.3 . 1 . . . . . 24 VAL N . 50397 2 41 . 1 . 1 29 29 ALA H H 1 8.263 0.020 . 1 . . . . . 25 ALA H . 50397 2 42 . 1 . 1 29 29 ALA N N 15 120.577 0.3 . 1 . . . . . 25 ALA N . 50397 2 43 . 1 . 1 30 30 LYS H H 1 7.636 0.020 . 1 . . . . . 26 LYS H . 50397 2 44 . 1 . 1 30 30 LYS N N 15 115.881 0.3 . 1 . . . . . 26 LYS N . 50397 2 45 . 1 . 1 31 31 CYS H H 1 7.634 0.020 . 1 . . . . . 27 CYS H . 50397 2 46 . 1 . 1 31 31 CYS N N 15 115.279 0.3 . 1 . . . . . 27 CYS N . 50397 2 47 . 1 . 1 32 32 TYR H H 1 7.603 0.020 . 1 . . . . . 28 TYR H . 50397 2 48 . 1 . 1 32 32 TYR N N 15 117.801 0.3 . 1 . . . . . 28 TYR N . 50397 2 49 . 1 . 1 33 33 GLY H H 1 8.746 0.020 . 1 . . . . . 29 GLY H . 50397 2 50 . 1 . 1 33 33 GLY N N 15 112.875 0.3 . 1 . . . . . 29 GLY N . 50397 2 51 . 1 . 1 34 34 GLU H H 1 9.039 0.020 . 1 . . . . . 30 GLU H . 50397 2 52 . 1 . 1 34 34 GLU N N 15 117.724 0.3 . 1 . . . . . 30 GLU N . 50397 2 53 . 1 . 1 35 35 SER H H 1 7.985 0.020 . 1 . . . . . 31 SER H . 50397 2 54 . 1 . 1 35 35 SER N N 15 115.32 0.3 . 1 . . . . . 31 SER N . 50397 2 55 . 1 . 1 36 36 VAL H H 1 7.666 0.020 . 1 . . . . . 32 VAL H . 50397 2 56 . 1 . 1 36 36 VAL N N 15 119.508 0.3 . 1 . . . . . 32 VAL N . 50397 2 57 . 1 . 1 37 37 LEU H H 1 7.462 0.020 . 1 . . . . . 33 LEU H . 50397 2 58 . 1 . 1 37 37 LEU N N 15 128.826 0.3 . 1 . . . . . 33 LEU N . 50397 2 59 . 1 . 1 39 39 ASN H H 1 8.285 0.020 . 1 . . . . . 35 ASN H . 50397 2 60 . 1 . 1 39 39 ASN N N 15 119.229 0.3 . 1 . . . . . 35 ASN N . 50397 2 61 . 1 . 1 40 40 ALA H H 1 6.356 0.020 . 1 . . . . . 36 ALA H . 50397 2 62 . 1 . 1 40 40 ALA N N 15 131.077 0.3 . 1 . . . . . 36 ALA N . 50397 2 63 . 1 . 1 41 41 ALA H H 1 8.292 0.020 . 1 . . . . . 37 ALA H . 50397 2 64 . 1 . 1 41 41 ALA N N 15 128.656 0.3 . 1 . . . . . 37 ALA N . 50397 2 65 . 1 . 1 42 42 ASN H H 1 7.364 0.020 . 1 . . . . . 38 ASN H . 50397 2 66 . 1 . 1 42 42 ASN N N 15 112.845 0.3 . 1 . . . . . 38 ASN N . 50397 2 67 . 1 . 1 43 43 THR H H 1 8.213 0.020 . 1 . . . . . 39 THR H . 50397 2 68 . 1 . 1 43 43 THR N N 15 107.573 0.3 . 1 . . . . . 39 THR N . 50397 2 69 . 1 . 1 44 44 HIS H H 1 7.324 0.020 . 1 . . . . . 40 HIS H . 50397 2 70 . 1 . 1 44 44 HIS N N 15 115.366 0.3 . 1 . . . . . 40 HIS N . 50397 2 71 . 1 . 1 45 45 LEU H H 1 8.102 0.020 . 1 . . . . . 41 LEU H . 50397 2 72 . 1 . 1 45 45 LEU N N 15 114.958 0.3 . 1 . . . . . 41 LEU N . 50397 2 73 . 1 . 1 46 46 LYS H H 1 8.151 0.020 . 1 . . . . . 42 LYS H . 50397 2 74 . 1 . 1 46 46 LYS N N 15 116.004 0.3 . 1 . . . . . 42 LYS N . 50397 2 75 . 1 . 1 48 48 GLY H H 1 8.025 0.020 . 1 . . . . . 44 GLY H . 50397 2 76 . 1 . 1 48 48 GLY N N 15 110.186 0.3 . 1 . . . . . 44 GLY N . 50397 2 77 . 1 . 1 49 49 GLY H H 1 8.076 0.020 . 1 . . . . . 45 GLY H . 50397 2 78 . 1 . 1 49 49 GLY N N 15 108.674 0.3 . 1 . . . . . 45 GLY N . 50397 2 79 . 1 . 1 50 50 GLY H H 1 8.663 0.020 . 1 . . . . . 46 GLY H . 50397 2 80 . 1 . 1 50 50 GLY N N 15 108.512 0.3 . 1 . . . . . 46 GLY N . 50397 2 81 . 1 . 1 51 51 ILE H H 1 8.749 0.020 . 1 . . . . . 47 ILE H . 50397 2 82 . 1 . 1 51 51 ILE N N 15 126.131 0.3 . 1 . . . . . 47 ILE N . 50397 2 83 . 1 . 1 52 52 ALA H H 1 8.534 0.020 . 1 . . . . . 48 ALA H . 50397 2 84 . 1 . 1 52 52 ALA N N 15 127.061 0.3 . 1 . . . . . 48 ALA N . 50397 2 85 . 1 . 1 53 53 GLY H H 1 7.727 0.020 . 1 . . . . . 49 GLY H . 50397 2 86 . 1 . 1 53 53 GLY N N 15 105.556 0.3 . 1 . . . . . 49 GLY N . 50397 2 87 . 1 . 1 54 54 ALA H H 1 7.746 0.3 . 1 . . . . . 50 ALA H . 50397 2 88 . 1 . 1 54 54 ALA N N 15 126.902 0.3 . 1 . . . . . 50 ALA N . 50397 2 89 . 1 . 1 55 55 ILE H H 1 9.041 0.020 . 1 . . . . . 51 ILE H . 50397 2 90 . 1 . 1 55 55 ILE N N 15 122.556 0.3 . 1 . . . . . 51 ILE N . 50397 2 91 . 1 . 1 56 56 ASN H H 1 8.518 0.020 . 1 . . . . . 52 ASN H . 50397 2 92 . 1 . 1 56 56 ASN N N 15 117.488 0.3 . 1 . . . . . 52 ASN N . 50397 2 93 . 1 . 1 57 57 ALA H H 1 8.76 0.020 . 1 . . . . . 53 ALA H . 50397 2 94 . 1 . 1 57 57 ALA N N 15 124.174 0.3 . 1 . . . . . 53 ALA N . 50397 2 95 . 1 . 1 58 58 ALA H H 1 8.322 0.020 . 1 . . . . . 54 ALA H . 50397 2 96 . 1 . 1 58 58 ALA N N 15 123.024 0.3 . 1 . . . . . 54 ALA N . 50397 2 97 . 1 . 1 59 59 SER H H 1 7.83 0.020 . 1 . . . . . 55 SER H . 50397 2 98 . 1 . 1 59 59 SER N N 15 111.571 0.3 . 1 . . . . . 55 SER N . 50397 2 99 . 1 . 1 60 60 LYS H H 1 8.454 0.020 . 1 . . . . . 56 LYS H . 50397 2 100 . 1 . 1 60 60 LYS N N 15 121.672 0.3 . 1 . . . . . 56 LYS N . 50397 2 101 . 1 . 1 61 61 GLY H H 1 7.857 0.020 . 1 . . . . . 57 GLY H . 50397 2 102 . 1 . 1 61 61 GLY N N 15 104.02 0.3 . 1 . . . . . 57 GLY N . 50397 2 103 . 1 . 1 62 62 ALA H H 1 7.754 0.020 . 1 . . . . . 58 ALA H . 50397 2 104 . 1 . 1 62 62 ALA N N 15 125.855 0.3 . 1 . . . . . 58 ALA N . 50397 2 105 . 1 . 1 63 63 VAL H H 1 8.097 0.020 . 1 . . . . . 59 VAL H . 50397 2 106 . 1 . 1 63 63 VAL N N 15 117.533 0.3 . 1 . . . . . 59 VAL N . 50397 2 107 . 1 . 1 64 64 GLN H H 1 8.158 0.020 . 1 . . . . . 60 GLN H . 50397 2 108 . 1 . 1 64 64 GLN N N 15 123.356 0.3 . 1 . . . . . 60 GLN N . 50397 2 109 . 1 . 1 66 66 GLU H H 1 7.853 0.020 . 1 . . . . . 62 GLU H . 50397 2 110 . 1 . 1 66 66 GLU N N 15 119.104 0.3 . 1 . . . . . 62 GLU N . 50397 2 111 . 1 . 1 67 67 SER H H 1 8.361 0.020 . 1 . . . . . 63 SER H . 50397 2 112 . 1 . 1 67 67 SER N N 15 117.26 0.3 . 1 . . . . . 63 SER N . 50397 2 113 . 1 . 1 68 68 ASP H H 1 8.87 0.020 . 1 . . . . . 64 ASP H . 50397 2 114 . 1 . 1 68 68 ASP N N 15 123.122 0.3 . 1 . . . . . 64 ASP N . 50397 2 115 . 1 . 1 70 70 TYR H H 1 8.116 0.3 . 1 . . . . . 66 TYR H . 50397 2 116 . 1 . 1 70 70 TYR N N 15 122.857 0.3 . 1 . . . . . 66 TYR N . 50397 2 117 . 1 . 1 71 71 ILE H H 1 8.581 0.020 . 1 . . . . . 67 ILE H . 50397 2 118 . 1 . 1 71 71 ILE N N 15 120.213 0.3 . 1 . . . . . 67 ILE N . 50397 2 119 . 1 . 1 72 72 LEU H H 1 7.928 0.020 . 1 . . . . . 68 LEU H . 50397 2 120 . 1 . 1 72 72 LEU N N 15 121.316 0.3 . 1 . . . . . 68 LEU N . 50397 2 121 . 1 . 1 73 73 ALA H H 1 7.321 0.020 . 1 . . . . . 69 ALA H . 50397 2 122 . 1 . 1 73 73 ALA N N 15 118.889 0.3 . 1 . . . . . 69 ALA N . 50397 2 123 . 1 . 1 74 74 LYS H H 1 8.426 0.020 . 1 . . . . . 70 LYS H . 50397 2 124 . 1 . 1 74 74 LYS N N 15 115.751 0.3 . 1 . . . . . 70 LYS N . 50397 2 125 . 1 . 1 75 75 GLY H H 1 8.112 0.020 . 1 . . . . . 71 GLY H . 50397 2 126 . 1 . 1 75 75 GLY N N 15 110.693 0.3 . 1 . . . . . 71 GLY N . 50397 2 127 . 1 . 1 77 77 LEU H H 1 8.353 0.020 . 1 . . . . . 73 LEU H . 50397 2 128 . 1 . 1 77 77 LEU N N 15 123.164 0.3 . 1 . . . . . 73 LEU N . 50397 2 129 . 1 . 1 78 78 GLN H H 1 8.46 0.020 . 1 . . . . . 74 GLN H . 50397 2 130 . 1 . 1 78 78 GLN N N 15 117.121 0.3 . 1 . . . . . 74 GLN N . 50397 2 131 . 1 . 1 79 79 VAL H H 1 8.203 0.020 . 1 . . . . . 75 VAL H . 50397 2 132 . 1 . 1 79 79 VAL N N 15 120.449 0.3 . 1 . . . . . 75 VAL N . 50397 2 133 . 1 . 1 80 80 GLY H H 1 9.196 0.020 . 1 . . . . . 76 GLY H . 50397 2 134 . 1 . 1 80 80 GLY N N 15 118.112 0.3 . 1 . . . . . 76 GLY N . 50397 2 135 . 1 . 1 81 81 ASP H H 1 7.966 0.020 . 1 . . . . . 77 ASP H . 50397 2 136 . 1 . 1 81 81 ASP N N 15 119.843 0.3 . 1 . . . . . 77 ASP N . 50397 2 137 . 1 . 1 82 82 SER H H 1 7.897 0.020 . 1 . . . . . 78 SER H . 50397 2 138 . 1 . 1 82 82 SER N N 15 108.222 0.3 . 1 . . . . . 78 SER N . 50397 2 139 . 1 . 1 83 83 VAL H H 1 8.742 0.020 . 1 . . . . . 79 VAL H . 50397 2 140 . 1 . 1 83 83 VAL N N 15 117.642 0.3 . 1 . . . . . 79 VAL N . 50397 2 141 . 1 . 1 84 84 LEU H H 1 8.58 0.020 . 1 . . . . . 80 LEU H . 50397 2 142 . 1 . 1 84 84 LEU N N 15 131.985 0.3 . 1 . . . . . 80 LEU N . 50397 2 143 . 1 . 1 85 85 LEU H H 1 9.203 0.020 . 1 . . . . . 81 LEU H . 50397 2 144 . 1 . 1 85 85 LEU N N 15 131.043 0.3 . 1 . . . . . 81 LEU N . 50397 2 145 . 1 . 1 86 86 GLN H H 1 9.876 0.020 . 1 . . . . . 82 GLN H . 50397 2 146 . 1 . 1 86 86 GLN N N 15 121.4 0.3 . 1 . . . . . 82 GLN N . 50397 2 147 . 1 . 1 87 87 GLY H H 1 8.56 0.020 . 1 . . . . . 83 GLY H . 50397 2 148 . 1 . 1 87 87 GLY N N 15 104.515 0.3 . 1 . . . . . 83 GLY N . 50397 2 149 . 1 . 1 88 88 HIS H H 1 7.743 0.020 . 1 . . . . . 84 HIS H . 50397 2 150 . 1 . 1 88 88 HIS N N 15 114.148 0.3 . 1 . . . . . 84 HIS N . 50397 2 151 . 1 . 1 89 89 SER H H 1 8.628 0.020 . 1 . . . . . 85 SER H . 50397 2 152 . 1 . 1 89 89 SER N N 15 108.826 0.3 . 1 . . . . . 85 SER N . 50397 2 153 . 1 . 1 90 90 LEU H H 1 8.488 0.020 . 1 . . . . . 86 LEU H . 50397 2 154 . 1 . 1 90 90 LEU N N 15 122.71 0.3 . 1 . . . . . 86 LEU N . 50397 2 155 . 1 . 1 91 91 ALA H H 1 7.295 0.020 . 1 . . . . . 87 ALA H . 50397 2 156 . 1 . 1 91 91 ALA N N 15 115.785 0.3 . 1 . . . . . 87 ALA N . 50397 2 157 . 1 . 1 92 92 LYS H H 1 8.841 0.020 . 1 . . . . . 88 LYS H . 50397 2 158 . 1 . 1 92 92 LYS N N 15 122.4 0.3 . 1 . . . . . 88 LYS N . 50397 2 159 . 1 . 1 93 93 ASN H H 1 7.442 0.020 . 1 . . . . . 89 ASN H . 50397 2 160 . 1 . 1 93 93 ASN N N 15 108.439 0.3 . 1 . . . . . 89 ASN N . 50397 2 161 . 1 . 1 94 94 ILE H H 1 7.098 0.020 . 1 . . . . . 90 ILE H . 50397 2 162 . 1 . 1 94 94 ILE N N 15 119.559 0.3 . 1 . . . . . 90 ILE N . 50397 2 163 . 1 . 1 95 95 LEU H H 1 8.633 0.020 . 1 . . . . . 91 LEU H . 50397 2 164 . 1 . 1 95 95 LEU N N 15 129.874 0.3 . 1 . . . . . 91 LEU N . 50397 2 165 . 1 . 1 96 96 HIS H H 1 9.191 0.020 . 1 . . . . . 92 HIS H . 50397 2 166 . 1 . 1 96 96 HIS N N 15 130.126 0.3 . 1 . . . . . 92 HIS N . 50397 2 167 . 1 . 1 97 97 VAL H H 1 8.636 0.020 . 1 . . . . . 93 VAL H . 50397 2 168 . 1 . 1 97 97 VAL N N 15 121.041 0.3 . 1 . . . . . 93 VAL N . 50397 2 169 . 1 . 1 98 98 VAL H H 1 8.202 0.020 . 1 . . . . . 94 VAL H . 50397 2 170 . 1 . 1 98 98 VAL N N 15 126.882 0.3 . 1 . . . . . 94 VAL N . 50397 2 171 . 1 . 1 99 99 GLY H H 1 8.897 0.020 . 1 . . . . . 95 GLY H . 50397 2 172 . 1 . 1 99 99 GLY N N 15 114.444 0.3 . 1 . . . . . 95 GLY N . 50397 2 173 . 1 . 1 101 101 ASP H H 1 8.733 0.020 . 1 . . . . . 97 ASP H . 50397 2 174 . 1 . 1 101 101 ASP N N 15 120.948 0.3 . 1 . . . . . 97 ASP N . 50397 2 175 . 1 . 1 102 102 ALA H H 1 9.352 0.020 . 1 . . . . . 98 ALA H . 50397 2 176 . 1 . 1 102 102 ALA N N 15 130.061 0.3 . 1 . . . . . 98 ALA N . 50397 2 177 . 1 . 1 103 103 ARG H H 1 8.495 0.020 . 1 . . . . . 99 ARG H . 50397 2 178 . 1 . 1 103 103 ARG N N 15 119.371 0.3 . 1 . . . . . 99 ARG N . 50397 2 179 . 1 . 1 104 104 ALA H H 1 6.813 0.020 . 1 . . . . . 100 ALA H . 50397 2 180 . 1 . 1 104 104 ALA N N 15 118.963 0.3 . 1 . . . . . 100 ALA N . 50397 2 181 . 1 . 1 105 105 LYS H H 1 7.772 0.020 . 1 . . . . . 101 LYS H . 50397 2 182 . 1 . 1 105 105 LYS N N 15 113.37 0.3 . 1 . . . . . 101 LYS N . 50397 2 183 . 1 . 1 108 108 VAL H H 1 8.323 0.020 . 1 . . . . . 104 VAL H . 50397 2 184 . 1 . 1 108 108 VAL N N 15 127.657 0.3 . 1 . . . . . 104 VAL N . 50397 2 185 . 1 . 1 109 109 SER H H 1 8.413 0.020 . 1 . . . . . 105 SER H . 50397 2 186 . 1 . 1 109 109 SER N N 15 114.557 0.3 . 1 . . . . . 105 SER N . 50397 2 187 . 1 . 1 110 110 LEU H H 1 7.815 0.020 . 1 . . . . . 106 LEU H . 50397 2 188 . 1 . 1 110 110 LEU N N 15 124.37 0.3 . 1 . . . . . 106 LEU N . 50397 2 189 . 1 . 1 111 111 LEU H H 1 8.303 0.020 . 1 . . . . . 107 LEU H . 50397 2 190 . 1 . 1 111 111 LEU N N 15 119.864 0.3 . 1 . . . . . 107 LEU N . 50397 2 191 . 1 . 1 112 112 SER H H 1 7.685 0.020 . 1 . . . . . 108 SER H . 50397 2 192 . 1 . 1 112 112 SER N N 15 113.666 0.3 . 1 . . . . . 108 SER N . 50397 2 193 . 1 . 1 113 113 LYS H H 1 6.961 0.020 . 1 . . . . . 109 LYS H . 50397 2 194 . 1 . 1 113 113 LYS N N 15 120.018 0.3 . 1 . . . . . 109 LYS N . 50397 2 195 . 1 . 1 114 114 CYS H H 1 7.394 0.020 . 1 . . . . . 110 CYS H . 50397 2 196 . 1 . 1 114 114 CYS N N 15 117.466 0.3 . 1 . . . . . 110 CYS N . 50397 2 197 . 1 . 1 115 115 TYR H H 1 7.827 0.020 . 1 . . . . . 111 TYR H . 50397 2 198 . 1 . 1 115 115 TYR N N 15 113.007 0.3 . 1 . . . . . 111 TYR N . 50397 2 199 . 1 . 1 116 116 LYS H H 1 8.492 0.020 . 1 . . . . . 112 LYS H . 50397 2 200 . 1 . 1 116 116 LYS N N 15 119.831 0.3 . 1 . . . . . 112 LYS N . 50397 2 201 . 1 . 1 117 117 ALA H H 1 7.208 0.020 . 1 . . . . . 113 ALA H . 50397 2 202 . 1 . 1 117 117 ALA N N 15 119.522 0.3 . 1 . . . . . 113 ALA N . 50397 2 203 . 1 . 1 118 118 MET H H 1 7.418 0.020 . 1 . . . . . 114 MET H . 50397 2 204 . 1 . 1 118 118 MET N N 15 113.739 0.3 . 1 . . . . . 114 MET N . 50397 2 205 . 1 . 1 119 119 ASN H H 1 7.12 0.020 . 1 . . . . . 115 ASN H . 50397 2 206 . 1 . 1 119 119 ASN N N 15 111.037 0.3 . 1 . . . . . 115 ASN N . 50397 2 207 . 1 . 1 120 120 ALA H H 1 6.534 0.020 . 1 . . . . . 116 ALA H . 50397 2 208 . 1 . 1 120 120 ALA N N 15 119.951 0.3 . 1 . . . . . 116 ALA N . 50397 2 209 . 1 . 1 121 121 TYR H H 1 7.124 0.020 . 1 . . . . . 117 TYR H . 50397 2 210 . 1 . 1 121 121 TYR N N 15 118.899 0.3 . 1 . . . . . 117 TYR N . 50397 2 211 . 1 . 1 123 123 LEU H H 1 7.464 0.020 . 1 . . . . . 119 LEU H . 50397 2 212 . 1 . 1 123 123 LEU N N 15 118.114 0.3 . 1 . . . . . 119 LEU N . 50397 2 213 . 1 . 1 124 124 VAL H H 1 8.91 0.020 . 1 . . . . . 120 VAL H . 50397 2 214 . 1 . 1 124 124 VAL N N 15 130.066 0.3 . 1 . . . . . 120 VAL N . 50397 2 215 . 1 . 1 125 125 VAL H H 1 8.903 0.020 . 1 . . . . . 121 VAL H . 50397 2 216 . 1 . 1 125 125 VAL N N 15 127.802 0.3 . 1 . . . . . 121 VAL N . 50397 2 217 . 1 . 1 126 126 THR H H 1 9.131 0.020 . 1 . . . . . 122 THR H . 50397 2 218 . 1 . 1 126 126 THR N N 15 121.401 0.3 . 1 . . . . . 122 THR N . 50397 2 219 . 1 . 1 128 128 LEU H H 1 8.7 0.020 . 1 . . . . . 124 LEU H . 50397 2 220 . 1 . 1 128 128 LEU N N 15 117.293 0.3 . 1 . . . . . 124 LEU N . 50397 2 221 . 1 . 1 129 129 VAL H H 1 7.761 0.020 . 1 . . . . . 125 VAL H . 50397 2 222 . 1 . 1 129 129 VAL N N 15 129.845 0.3 . 1 . . . . . 125 VAL N . 50397 2 223 . 1 . 1 130 130 SER H H 1 8.77 0.020 . 1 . . . . . 126 SER H . 50397 2 224 . 1 . 1 130 130 SER N N 15 117.647 0.3 . 1 . . . . . 126 SER N . 50397 2 225 . 1 . 1 131 131 ALA H H 1 7.139 0.020 . 1 . . . . . 127 ALA H . 50397 2 226 . 1 . 1 131 131 ALA N N 15 120.321 0.3 . 1 . . . . . 127 ALA N . 50397 2 227 . 1 . 1 132 132 GLY H H 1 8.681 0.020 . 1 . . . . . 128 GLY H . 50397 2 228 . 1 . 1 132 132 GLY N N 15 111.797 0.3 . 1 . . . . . 128 GLY N . 50397 2 229 . 1 . 1 134 134 PHE H H 1 7.83 0.020 . 1 . . . . . 130 PHE H . 50397 2 230 . 1 . 1 134 134 PHE N N 15 119.213 0.3 . 1 . . . . . 130 PHE N . 50397 2 231 . 1 . 1 135 135 GLY H H 1 7.866 0.020 . 1 . . . . . 131 GLY H . 50397 2 232 . 1 . 1 135 135 GLY N N 15 102.635 0.3 . 1 . . . . . 131 GLY N . 50397 2 233 . 1 . 1 136 136 VAL H H 1 8.449 0.020 . 1 . . . . . 132 VAL H . 50397 2 234 . 1 . 1 136 136 VAL N N 15 122.883 0.3 . 1 . . . . . 132 VAL N . 50397 2 235 . 1 . 1 137 137 LYS H H 1 8.779 0.020 . 1 . . . . . 133 LYS H . 50397 2 236 . 1 . 1 137 137 LYS N N 15 128.996 0.3 . 1 . . . . . 133 LYS N . 50397 2 237 . 1 . 1 139 139 ALA H H 1 8.686 0.020 . 1 . . . . . 135 ALA H . 50397 2 238 . 1 . 1 139 139 ALA N N 15 115.664 0.3 . 1 . . . . . 135 ALA N . 50397 2 239 . 1 . 1 140 140 VAL H H 1 7.246 0.020 . 1 . . . . . 136 VAL H . 50397 2 240 . 1 . 1 140 140 VAL N N 15 118.087 0.3 . 1 . . . . . 136 VAL N . 50397 2 241 . 1 . 1 141 141 SER H H 1 7.501 0.020 . 1 . . . . . 137 SER H . 50397 2 242 . 1 . 1 141 141 SER N N 15 111.439 0.3 . 1 . . . . . 137 SER N . 50397 2 243 . 1 . 1 142 142 PHE H H 1 8.927 0.020 . 1 . . . . . 138 PHE H . 50397 2 244 . 1 . 1 142 142 PHE N N 15 117.025 0.3 . 1 . . . . . 138 PHE N . 50397 2 245 . 1 . 1 143 143 ASP H H 1 7.713 0.020 . 1 . . . . . 139 ASP H . 50397 2 246 . 1 . 1 143 143 ASP N N 15 118.533 0.3 . 1 . . . . . 139 ASP N . 50397 2 247 . 1 . 1 144 144 TYR H H 1 7.683 0.020 . 1 . . . . . 140 TYR H . 50397 2 248 . 1 . 1 144 144 TYR N N 15 115.254 0.3 . 1 . . . . . 140 TYR N . 50397 2 249 . 1 . 1 145 145 LEU H H 1 7.285 0.020 . 1 . . . . . 141 LEU H . 50397 2 250 . 1 . 1 145 145 LEU N N 15 121.568 0.3 . 1 . . . . . 141 LEU N . 50397 2 251 . 1 . 1 146 146 ILE H H 1 8.154 0.020 . 1 . . . . . 142 ILE H . 50397 2 252 . 1 . 1 146 146 ILE N N 15 117.101 0.3 . 1 . . . . . 142 ILE N . 50397 2 253 . 1 . 1 147 147 ARG H H 1 7.597 0.020 . 1 . . . . . 143 ARG H . 50397 2 254 . 1 . 1 147 147 ARG N N 15 118.249 0.3 . 1 . . . . . 143 ARG N . 50397 2 255 . 1 . 1 148 148 GLU H H 1 7.503 0.020 . 1 . . . . . 144 GLU H . 50397 2 256 . 1 . 1 148 148 GLU N N 15 113.963 0.3 . 1 . . . . . 144 GLU N . 50397 2 257 . 1 . 1 149 149 ALA H H 1 8.368 0.020 . 1 . . . . . 145 ALA H . 50397 2 258 . 1 . 1 149 149 ALA N N 15 122.134 0.3 . 1 . . . . . 145 ALA N . 50397 2 259 . 1 . 1 150 150 LYS H H 1 9.146 0.020 . 1 . . . . . 146 LYS H . 50397 2 260 . 1 . 1 150 150 LYS N N 15 122.85 0.3 . 1 . . . . . 146 LYS N . 50397 2 261 . 1 . 1 151 151 THR H H 1 7.145 0.020 . 1 . . . . . 147 THR H . 50397 2 262 . 1 . 1 151 151 THR N N 15 115.682 0.3 . 1 . . . . . 147 THR N . 50397 2 263 . 1 . 1 152 152 ARG H H 1 7.464 0.020 . 1 . . . . . 148 ARG H . 50397 2 264 . 1 . 1 152 152 ARG N N 15 120.255 0.3 . 1 . . . . . 148 ARG N . 50397 2 265 . 1 . 1 153 153 VAL H H 1 8.776 0.020 . 1 . . . . . 149 VAL H . 50397 2 266 . 1 . 1 153 153 VAL N N 15 126.385 0.3 . 1 . . . . . 149 VAL N . 50397 2 267 . 1 . 1 154 154 LEU H H 1 9.264 0.020 . 1 . . . . . 150 LEU H . 50397 2 268 . 1 . 1 154 154 LEU N N 15 129.255 0.3 . 1 . . . . . 150 LEU N . 50397 2 269 . 1 . 1 155 155 VAL H H 1 9.051 0.020 . 1 . . . . . 151 VAL H . 50397 2 270 . 1 . 1 155 155 VAL N N 15 124.935 0.3 . 1 . . . . . 151 VAL N . 50397 2 271 . 1 . 1 156 156 VAL H H 1 8.953 0.020 . 1 . . . . . 152 VAL H . 50397 2 272 . 1 . 1 156 156 VAL N N 15 127.888 0.3 . 1 . . . . . 152 VAL N . 50397 2 273 . 1 . 1 158 158 ASN H H 1 8.579 0.020 . 1 . . . . . 154 ASN H . 50397 2 274 . 1 . 1 158 158 ASN N N 15 119.591 0.3 . 1 . . . . . 154 ASN N . 50397 2 275 . 1 . 1 159 159 SER H H 1 7.159 0.020 . 1 . . . . . 155 SER H . 50397 2 276 . 1 . 1 159 159 SER N N 15 112.383 0.3 . 1 . . . . . 155 SER N . 50397 2 277 . 1 . 1 161 161 ASP H H 1 8.372 0.020 . 1 . . . . . 157 ASP H . 50397 2 278 . 1 . 1 161 161 ASP N N 15 118.816 0.3 . 1 . . . . . 157 ASP N . 50397 2 279 . 1 . 1 162 162 VAL H H 1 7.527 0.020 . 1 . . . . . 158 VAL H . 50397 2 280 . 1 . 1 162 162 VAL N N 15 121.586 0.3 . 1 . . . . . 158 VAL N . 50397 2 281 . 1 . 1 163 163 TYR H H 1 8.287 0.020 . 1 . . . . . 159 TYR H . 50397 2 282 . 1 . 1 163 163 TYR N N 15 120.25 0.3 . 1 . . . . . 159 TYR N . 50397 2 283 . 1 . 1 164 164 LYS H H 1 8.714 0.020 . 1 . . . . . 160 LYS H . 50397 2 284 . 1 . 1 164 164 LYS N N 15 118.574 0.3 . 1 . . . . . 160 LYS N . 50397 2 285 . 1 . 1 165 165 SER H H 1 7.603 0.020 . 1 . . . . . 161 SER H . 50397 2 286 . 1 . 1 165 165 SER N N 15 113.45 0.3 . 1 . . . . . 161 SER N . 50397 2 287 . 1 . 1 166 166 LEU H H 1 7.227 0.020 . 1 . . . . . 162 LEU H . 50397 2 288 . 1 . 1 166 166 LEU N N 15 119.24 0.3 . 1 . . . . . 162 LEU N . 50397 2 289 . 1 . 1 167 167 THR H H 1 7.207 0.020 . 1 . . . . . 163 THR H . 50397 2 290 . 1 . 1 167 167 THR N N 15 106.938 0.3 . 1 . . . . . 163 THR N . 50397 2 291 . 1 . 1 168 168 ILE H H 1 7.14 0.020 . 1 . . . . . 164 ILE H . 50397 2 292 . 1 . 1 168 168 ILE N N 15 125.758 0.3 . 1 . . . . . 164 ILE N . 50397 2 stop_ save_