################################### # 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 50395 _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' . . . 50395 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 . . 50395 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 7.981 0.020 . 1 . . . . . 2 LEU H . 50395 1 2 . 1 . 1 6 6 LEU N N 15 116.133 0.3 . 1 . . . . . 2 LEU N . 50395 1 3 . 1 . 1 7 7 SER H H 1 7.758 0.020 . 1 . . . . . 3 SER H . 50395 1 4 . 1 . 1 7 7 SER N N 15 113.324 0.3 . 1 . . . . . 3 SER N . 50395 1 5 . 1 . 1 8 8 ASN H H 1 7.806 0.020 . 1 . . . . . 4 ASN H . 50395 1 6 . 1 . 1 8 8 ASN N N 15 116.705 0.3 . 1 . . . . . 4 ASN N . 50395 1 7 . 1 . 1 9 9 PHE H H 1 7.923 0.020 . 1 . . . . . 5 PHE H . 50395 1 8 . 1 . 1 9 9 PHE N N 15 117.735 0.3 . 1 . . . . . 5 PHE N . 50395 1 9 . 1 . 1 10 10 GLU H H 1 9.444 0.020 . 1 . . . . . 6 GLU H . 50395 1 10 . 1 . 1 10 10 GLU N N 15 129.073 0.3 . 1 . . . . . 6 GLU N . 50395 1 11 . 1 . 1 11 11 HIS H H 1 8.167 0.020 . 1 . . . . . 7 HIS H . 50395 1 12 . 1 . 1 11 11 HIS N N 15 121.416 0.3 . 1 . . . . . 7 HIS N . 50395 1 13 . 1 . 1 12 12 LYS H H 1 9.127 0.020 . 1 . . . . . 8 LYS H . 50395 1 14 . 1 . 1 12 12 LYS N N 15 118.981 0.3 . 1 . . . . . 8 LYS N . 50395 1 15 . 1 . 1 14 14 ILE H H 1 8.787 0.020 . 1 . . . . . 10 ILE H . 50395 1 16 . 1 . 1 14 14 ILE N N 15 129.908 0.3 . 1 . . . . . 10 ILE N . 50395 1 17 . 1 . 1 15 15 THR H H 1 8.401 0.020 . 1 . . . . . 11 THR H . 50395 1 18 . 1 . 1 15 15 THR N N 15 110.076 0.3 . 1 . . . . . 11 THR N . 50395 1 19 . 1 . 1 16 16 GLU H H 1 8.881 0.3 . 1 . . . . . 12 GLU H . 50395 1 20 . 1 . 1 16 16 GLU N N 15 116.557 0.3 . 1 . . . . . 12 GLU N . 50395 1 21 . 1 . 1 17 17 CYS H H 1 7.614 0.020 . 1 . . . . . 13 CYS H . 50395 1 22 . 1 . 1 17 17 CYS N N 15 112.917 0.3 . 1 . . . . . 13 CYS N . 50395 1 23 . 1 . 1 19 19 THR H H 1 8.422 0.020 . 1 . . . . . 15 THR H . 50395 1 24 . 1 . 1 19 19 THR N N 15 127.065 0.3 . 1 . . . . . 15 THR N . 50395 1 25 . 1 . 1 20 20 ILE H H 1 9.012 0.020 . 1 . . . . . 16 ILE H . 50395 1 26 . 1 . 1 20 20 ILE N N 15 126.393 0.3 . 1 . . . . . 16 ILE N . 50395 1 27 . 1 . 1 21 21 VAL H H 1 9.425 0.020 . 1 . . . . . 17 VAL H . 50395 1 28 . 1 . 1 21 21 VAL N N 15 127.99 0.3 . 1 . . . . . 17 VAL N . 50395 1 29 . 1 . 1 22 22 LEU H H 1 8.253 0.020 . 1 . . . . . 18 LEU H . 50395 1 30 . 1 . 1 22 22 LEU N N 15 129.633 0.3 . 1 . . . . . 18 LEU N . 50395 1 31 . 1 . 1 23 23 GLY H H 1 8.498 0.020 . 1 . . . . . 19 GLY H . 50395 1 32 . 1 . 1 23 23 GLY N N 15 113.784 0.3 . 1 . . . . . 19 GLY N . 50395 1 33 . 1 . 1 24 24 ASP H H 1 7.609 0.020 . 1 . . . . . 20 ASP H . 50395 1 34 . 1 . 1 24 24 ASP N N 15 118.118 0.3 . 1 . . . . . 20 ASP N . 50395 1 35 . 1 . 1 27 27 GLN H H 1 7.374 0.020 . 1 . . . . . 23 GLN H . 50395 1 36 . 1 . 1 27 27 GLN N N 15 119.274 0.3 . 1 . . . . . 23 GLN N . 50395 1 37 . 1 . 1 28 28 VAL H H 1 7.934 0.020 . 1 . . . . . 24 VAL H . 50395 1 38 . 1 . 1 28 28 VAL N N 15 119.638 0.3 . 1 . . . . . 24 VAL N . 50395 1 39 . 1 . 1 29 29 ALA H H 1 8.229 0.020 . 1 . . . . . 25 ALA H . 50395 1 40 . 1 . 1 29 29 ALA N N 15 120.204 0.3 . 1 . . . . . 25 ALA N . 50395 1 41 . 1 . 1 30 30 LYS H H 1 7.486 0.020 . 1 . . . . . 26 LYS H . 50395 1 42 . 1 . 1 30 30 LYS N N 15 115.973 0.3 . 1 . . . . . 26 LYS N . 50395 1 43 . 1 . 1 31 31 CYS H H 1 7.52 0.020 . 1 . . . . . 27 CYS H . 50395 1 44 . 1 . 1 31 31 CYS N N 15 114.928 0.3 . 1 . . . . . 27 CYS N . 50395 1 45 . 1 . 1 32 32 TYR H H 1 7.558 0.020 . 1 . . . . . 28 TYR H . 50395 1 46 . 1 . 1 32 32 TYR N N 15 117.808 0.3 . 1 . . . . . 28 TYR N . 50395 1 47 . 1 . 1 33 33 GLY H H 1 8.738 0.020 . 1 . . . . . 29 GLY H . 50395 1 48 . 1 . 1 33 33 GLY N N 15 113.111 0.3 . 1 . . . . . 29 GLY N . 50395 1 49 . 1 . 1 34 34 GLU H H 1 9.023 0.020 . 1 . . . . . 30 GLU H . 50395 1 50 . 1 . 1 34 34 GLU N N 15 117.534 0.3 . 1 . . . . . 30 GLU N . 50395 1 51 . 1 . 1 35 35 SER H H 1 7.92 0.020 . 1 . . . . . 31 SER H . 50395 1 52 . 1 . 1 35 35 SER N N 15 115.268 0.3 . 1 . . . . . 31 SER N . 50395 1 53 . 1 . 1 36 36 VAL H H 1 7.544 0.020 . 1 . . . . . 32 VAL H . 50395 1 54 . 1 . 1 36 36 VAL N N 15 119.716 0.3 . 1 . . . . . 32 VAL N . 50395 1 55 . 1 . 1 37 37 LEU H H 1 7.373 0.020 . 1 . . . . . 33 LEU H . 50395 1 56 . 1 . 1 37 37 LEU N N 15 128.706 0.3 . 1 . . . . . 33 LEU N . 50395 1 57 . 1 . 1 39 39 ASN H H 1 8.145 0.020 . 1 . . . . . 35 ASN H . 50395 1 58 . 1 . 1 39 39 ASN N N 15 118.786 0.3 . 1 . . . . . 35 ASN N . 50395 1 59 . 1 . 1 41 41 ALA H H 1 8.18 0.020 . 1 . . . . . 37 ALA H . 50395 1 60 . 1 . 1 41 41 ALA N N 15 128.938 0.3 . 1 . . . . . 37 ALA N . 50395 1 61 . 1 . 1 42 42 ASN H H 1 7.249 0.020 . 1 . . . . . 38 ASN H . 50395 1 62 . 1 . 1 42 42 ASN N N 15 112.422 0.3 . 1 . . . . . 38 ASN N . 50395 1 63 . 1 . 1 43 43 THR H H 1 8.182 0.020 . 1 . . . . . 39 THR H . 50395 1 64 . 1 . 1 43 43 THR N N 15 107.472 0.3 . 1 . . . . . 39 THR N . 50395 1 65 . 1 . 1 44 44 HIS H H 1 7.279 0.020 . 1 . . . . . 40 HIS H . 50395 1 66 . 1 . 1 44 44 HIS N N 15 114.913 0.3 . 1 . . . . . 40 HIS N . 50395 1 67 . 1 . 1 45 45 LEU H H 1 8.027 0.020 . 1 . . . . . 41 LEU H . 50395 1 68 . 1 . 1 45 45 LEU N N 15 115.207 0.3 . 1 . . . . . 41 LEU N . 50395 1 69 . 1 . 1 46 46 LYS H H 1 8.074 0.020 . 1 . . . . . 42 LYS H . 50395 1 70 . 1 . 1 46 46 LYS N N 15 115.967 0.3 . 1 . . . . . 42 LYS N . 50395 1 71 . 1 . 1 48 48 GLY H H 1 7.974 0.020 . 1 . . . . . 44 GLY H . 50395 1 72 . 1 . 1 48 48 GLY N N 15 109.931 0.3 . 1 . . . . . 44 GLY N . 50395 1 73 . 1 . 1 49 49 GLY H H 1 7.985 0.020 . 1 . . . . . 45 GLY H . 50395 1 74 . 1 . 1 49 49 GLY N N 15 108.876 0.3 . 1 . . . . . 45 GLY N . 50395 1 75 . 1 . 1 50 50 GLY H H 1 8.65 0.020 . 1 . . . . . 46 GLY H . 50395 1 76 . 1 . 1 50 50 GLY N N 15 108.894 0.3 . 1 . . . . . 46 GLY N . 50395 1 77 . 1 . 1 51 51 ILE H H 1 8.675 0.020 . 1 . . . . . 47 ILE H . 50395 1 78 . 1 . 1 51 51 ILE N N 15 126.218 0.3 . 1 . . . . . 47 ILE N . 50395 1 79 . 1 . 1 53 53 GLY H H 1 7.79 0.020 . 1 . . . . . 49 GLY H . 50395 1 80 . 1 . 1 53 53 GLY N N 15 105.856 0.3 . 1 . . . . . 49 GLY N . 50395 1 81 . 1 . 1 54 54 ALA H H 1 7.657 0.3 . 1 . . . . . 50 ALA H . 50395 1 82 . 1 . 1 54 54 ALA N N 15 126.871 0.3 . 1 . . . . . 50 ALA N . 50395 1 83 . 1 . 1 55 55 ILE H H 1 9.048 0.020 . 1 . . . . . 51 ILE H . 50395 1 84 . 1 . 1 55 55 ILE N N 15 122.909 0.3 . 1 . . . . . 51 ILE N . 50395 1 85 . 1 . 1 56 56 ASN H H 1 8.542 0.020 . 1 . . . . . 52 ASN H . 50395 1 86 . 1 . 1 56 56 ASN N N 15 117.329 0.3 . 1 . . . . . 52 ASN N . 50395 1 87 . 1 . 1 57 57 ALA H H 1 8.715 0.020 . 1 . . . . . 53 ALA H . 50395 1 88 . 1 . 1 57 57 ALA N N 15 124.253 0.3 . 1 . . . . . 53 ALA N . 50395 1 89 . 1 . 1 58 58 ALA H H 1 8.26 0.020 . 1 . . . . . 54 ALA H . 50395 1 90 . 1 . 1 58 58 ALA N N 15 123.257 0.3 . 1 . . . . . 54 ALA N . 50395 1 91 . 1 . 1 59 59 SER H H 1 7.765 0.020 . 1 . . . . . 55 SER H . 50395 1 92 . 1 . 1 59 59 SER N N 15 111.677 0.3 . 1 . . . . . 55 SER N . 50395 1 93 . 1 . 1 61 61 GLY H H 1 7.733 0.020 . 1 . . . . . 57 GLY H . 50395 1 94 . 1 . 1 61 61 GLY N N 15 103.994 0.3 . 1 . . . . . 57 GLY N . 50395 1 95 . 1 . 1 62 62 ALA H H 1 7.649 0.020 . 1 . . . . . 58 ALA H . 50395 1 96 . 1 . 1 62 62 ALA N N 15 125.895 0.3 . 1 . . . . . 58 ALA N . 50395 1 97 . 1 . 1 63 63 VAL H H 1 8.076 0.020 . 1 . . . . . 59 VAL H . 50395 1 98 . 1 . 1 63 63 VAL N N 15 117.482 0.3 . 1 . . . . . 59 VAL N . 50395 1 99 . 1 . 1 64 64 GLN H H 1 8.119 0.020 . 1 . . . . . 60 GLN H . 50395 1 100 . 1 . 1 64 64 GLN N N 15 123.444 0.3 . 1 . . . . . 60 GLN N . 50395 1 101 . 1 . 1 66 66 GLU H H 1 8.034 0.020 . 1 . . . . . 62 GLU H . 50395 1 102 . 1 . 1 66 66 GLU N N 15 119.555 0.3 . 1 . . . . . 62 GLU N . 50395 1 103 . 1 . 1 67 67 SER H H 1 8.295 0.020 . 1 . . . . . 63 SER H . 50395 1 104 . 1 . 1 67 67 SER N N 15 117.332 0.3 . 1 . . . . . 63 SER N . 50395 1 105 . 1 . 1 68 68 ASP H H 1 8.788 0.020 . 1 . . . . . 64 ASP H . 50395 1 106 . 1 . 1 68 68 ASP N N 15 123.08 0.3 . 1 . . . . . 64 ASP N . 50395 1 107 . 1 . 1 70 70 TYR H H 1 8.027 0.3 . 1 . . . . . 66 TYR H . 50395 1 108 . 1 . 1 70 70 TYR N N 15 122.937 0.3 . 1 . . . . . 66 TYR N . 50395 1 109 . 1 . 1 71 71 ILE H H 1 8.52 0.020 . 1 . . . . . 67 ILE H . 50395 1 110 . 1 . 1 71 71 ILE N N 15 120.277 0.3 . 1 . . . . . 67 ILE N . 50395 1 111 . 1 . 1 72 72 LEU H H 1 7.822 0.020 . 1 . . . . . 68 LEU H . 50395 1 112 . 1 . 1 72 72 LEU N N 15 121.223 0.3 . 1 . . . . . 68 LEU N . 50395 1 113 . 1 . 1 73 73 ALA H H 1 7.227 0.020 . 1 . . . . . 69 ALA H . 50395 1 114 . 1 . 1 73 73 ALA N N 15 118.843 0.3 . 1 . . . . . 69 ALA N . 50395 1 115 . 1 . 1 74 74 LYS H H 1 8.36 0.020 . 1 . . . . . 70 LYS H . 50395 1 116 . 1 . 1 74 74 LYS N N 15 115.637 0.3 . 1 . . . . . 70 LYS N . 50395 1 117 . 1 . 1 75 75 GLY H H 1 8.03 0.020 . 1 . . . . . 71 GLY H . 50395 1 118 . 1 . 1 75 75 GLY N N 15 110.652 0.3 . 1 . . . . . 71 GLY N . 50395 1 119 . 1 . 1 77 77 LEU H H 1 8.373 0.020 . 1 . . . . . 73 LEU H . 50395 1 120 . 1 . 1 77 77 LEU N N 15 122.869 0.3 . 1 . . . . . 73 LEU N . 50395 1 121 . 1 . 1 78 78 GLN H H 1 8.362 0.020 . 1 . . . . . 74 GLN H . 50395 1 122 . 1 . 1 78 78 GLN N N 15 116.897 0.3 . 1 . . . . . 74 GLN N . 50395 1 123 . 1 . 1 79 79 VAL H H 1 8.204 0.020 . 1 . . . . . 75 VAL H . 50395 1 124 . 1 . 1 79 79 VAL N N 15 120.57 0.3 . 1 . . . . . 75 VAL N . 50395 1 125 . 1 . 1 80 80 GLY H H 1 9.131 0.020 . 1 . . . . . 76 GLY H . 50395 1 126 . 1 . 1 80 80 GLY N N 15 118.532 0.3 . 1 . . . . . 76 GLY N . 50395 1 127 . 1 . 1 81 81 ASP H H 1 7.866 0.020 . 1 . . . . . 77 ASP H . 50395 1 128 . 1 . 1 81 81 ASP N N 15 119.67 0.3 . 1 . . . . . 77 ASP N . 50395 1 129 . 1 . 1 82 82 SER H H 1 7.824 0.020 . 1 . . . . . 78 SER H . 50395 1 130 . 1 . 1 82 82 SER N N 15 108.035 0.3 . 1 . . . . . 78 SER N . 50395 1 131 . 1 . 1 83 83 VAL H H 1 8.679 0.020 . 1 . . . . . 79 VAL H . 50395 1 132 . 1 . 1 83 83 VAL N N 15 117.484 0.3 . 1 . . . . . 79 VAL N . 50395 1 133 . 1 . 1 84 84 LEU H H 1 8.535 0.020 . 1 . . . . . 80 LEU H . 50395 1 134 . 1 . 1 84 84 LEU N N 15 131.988 0.3 . 1 . . . . . 80 LEU N . 50395 1 135 . 1 . 1 85 85 LEU H H 1 9.137 0.020 . 1 . . . . . 81 LEU H . 50395 1 136 . 1 . 1 85 85 LEU N N 15 131.004 0.3 . 1 . . . . . 81 LEU N . 50395 1 137 . 1 . 1 86 86 GLN H H 1 9.837 0.020 . 1 . . . . . 82 GLN H . 50395 1 138 . 1 . 1 86 86 GLN N N 15 121.391 0.3 . 1 . . . . . 82 GLN N . 50395 1 139 . 1 . 1 87 87 GLY H H 1 8.526 0.020 . 1 . . . . . 83 GLY H . 50395 1 140 . 1 . 1 87 87 GLY N N 15 104.529 0.3 . 1 . . . . . 83 GLY N . 50395 1 141 . 1 . 1 88 88 HIS H H 1 7.641 0.020 . 1 . . . . . 84 HIS H . 50395 1 142 . 1 . 1 88 88 HIS N N 15 113.95 0.3 . 1 . . . . . 84 HIS N . 50395 1 143 . 1 . 1 89 89 SER H H 1 8.583 0.020 . 1 . . . . . 85 SER H . 50395 1 144 . 1 . 1 89 89 SER N N 15 108.635 0.3 . 1 . . . . . 85 SER N . 50395 1 145 . 1 . 1 90 90 LEU H H 1 8.409 0.020 . 1 . . . . . 86 LEU H . 50395 1 146 . 1 . 1 90 90 LEU N N 15 122.528 0.3 . 1 . . . . . 86 LEU N . 50395 1 147 . 1 . 1 91 91 ALA H H 1 7.215 0.020 . 1 . . . . . 87 ALA H . 50395 1 148 . 1 . 1 91 91 ALA N N 15 115.854 0.3 . 1 . . . . . 87 ALA N . 50395 1 149 . 1 . 1 92 92 LYS H H 1 8.772 0.020 . 1 . . . . . 88 LYS H . 50395 1 150 . 1 . 1 92 92 LYS N N 15 122.357 0.3 . 1 . . . . . 88 LYS N . 50395 1 151 . 1 . 1 93 93 ASN H H 1 7.35 0.020 . 1 . . . . . 89 ASN H . 50395 1 152 . 1 . 1 93 93 ASN N N 15 108.322 0.3 . 1 . . . . . 89 ASN N . 50395 1 153 . 1 . 1 94 94 ILE H H 1 7.006 0.020 . 1 . . . . . 90 ILE H . 50395 1 154 . 1 . 1 94 94 ILE N N 15 119.591 0.3 . 1 . . . . . 90 ILE N . 50395 1 155 . 1 . 1 95 95 LEU H H 1 8.532 0.020 . 1 . . . . . 91 LEU H . 50395 1 156 . 1 . 1 95 95 LEU N N 15 129.75 0.3 . 1 . . . . . 91 LEU N . 50395 1 157 . 1 . 1 96 96 HIS H H 1 9.093 0.020 . 1 . . . . . 92 HIS H . 50395 1 158 . 1 . 1 96 96 HIS N N 15 129.97 0.3 . 1 . . . . . 92 HIS N . 50395 1 159 . 1 . 1 97 97 VAL H H 1 8.56 0.020 . 1 . . . . . 93 VAL H . 50395 1 160 . 1 . 1 97 97 VAL N N 15 120.967 0.3 . 1 . . . . . 93 VAL N . 50395 1 161 . 1 . 1 98 98 VAL H H 1 8.082 0.020 . 1 . . . . . 94 VAL H . 50395 1 162 . 1 . 1 98 98 VAL N N 15 126.566 0.3 . 1 . . . . . 94 VAL N . 50395 1 163 . 1 . 1 99 99 GLY H H 1 8.882 0.020 . 1 . . . . . 95 GLY H . 50395 1 164 . 1 . 1 99 99 GLY N N 15 114.602 0.3 . 1 . . . . . 95 GLY N . 50395 1 165 . 1 . 1 101 101 ASP H H 1 8.621 0.020 . 1 . . . . . 97 ASP H . 50395 1 166 . 1 . 1 101 101 ASP N N 15 120.699 0.3 . 1 . . . . . 97 ASP N . 50395 1 167 . 1 . 1 102 102 ALA H H 1 9.395 0.020 . 1 . . . . . 98 ALA H . 50395 1 168 . 1 . 1 102 102 ALA N N 15 130.331 0.3 . 1 . . . . . 98 ALA N . 50395 1 169 . 1 . 1 103 103 ARG H H 1 8.408 0.020 . 1 . . . . . 99 ARG H . 50395 1 170 . 1 . 1 103 103 ARG N N 15 119.538 0.3 . 1 . . . . . 99 ARG N . 50395 1 171 . 1 . 1 104 104 ALA H H 1 6.67 0.020 . 1 . . . . . 100 ALA H . 50395 1 172 . 1 . 1 104 104 ALA N N 15 118.662 0.3 . 1 . . . . . 100 ALA N . 50395 1 173 . 1 . 1 105 105 LYS H H 1 7.682 0.020 . 1 . . . . . 101 LYS H . 50395 1 174 . 1 . 1 105 105 LYS N N 15 113.365 0.3 . 1 . . . . . 101 LYS N . 50395 1 175 . 1 . 1 106 106 GLN H H 1 6.839 0.020 . 1 . . . . . 102 GLN H . 50395 1 176 . 1 . 1 106 106 GLN N N 15 116.46 0.3 . 1 . . . . . 102 GLN N . 50395 1 177 . 1 . 1 108 108 VAL H H 1 8.302 0.020 . 1 . . . . . 104 VAL H . 50395 1 178 . 1 . 1 108 108 VAL N N 15 128.062 0.3 . 1 . . . . . 104 VAL N . 50395 1 179 . 1 . 1 109 109 SER H H 1 8.306 0.020 . 1 . . . . . 105 SER H . 50395 1 180 . 1 . 1 109 109 SER N N 15 114.266 0.3 . 1 . . . . . 105 SER N . 50395 1 181 . 1 . 1 110 110 LEU H H 1 7.778 0.020 . 1 . . . . . 106 LEU H . 50395 1 182 . 1 . 1 110 110 LEU N N 15 124.546 0.3 . 1 . . . . . 106 LEU N . 50395 1 183 . 1 . 1 111 111 LEU H H 1 8.212 0.020 . 1 . . . . . 107 LEU H . 50395 1 184 . 1 . 1 111 111 LEU N N 15 119.811 0.3 . 1 . . . . . 107 LEU N . 50395 1 185 . 1 . 1 112 112 SER H H 1 7.606 0.020 . 1 . . . . . 108 SER H . 50395 1 186 . 1 . 1 112 112 SER N N 15 113.756 0.3 . 1 . . . . . 108 SER N . 50395 1 187 . 1 . 1 113 113 LYS H H 1 6.855 0.020 . 1 . . . . . 109 LYS H . 50395 1 188 . 1 . 1 113 113 LYS N N 15 120.05 0.3 . 1 . . . . . 109 LYS N . 50395 1 189 . 1 . 1 114 114 CYS H H 1 7.324 0.020 . 1 . . . . . 110 CYS H . 50395 1 190 . 1 . 1 114 114 CYS N N 15 117.643 0.3 . 1 . . . . . 110 CYS N . 50395 1 191 . 1 . 1 115 115 TYR H H 1 7.764 0.020 . 1 . . . . . 111 TYR H . 50395 1 192 . 1 . 1 115 115 TYR N N 15 112.925 0.3 . 1 . . . . . 111 TYR N . 50395 1 193 . 1 . 1 116 116 LYS H H 1 8.43 0.020 . 1 . . . . . 112 LYS H . 50395 1 194 . 1 . 1 116 116 LYS N N 15 119.788 0.3 . 1 . . . . . 112 LYS N . 50395 1 195 . 1 . 1 117 117 ALA H H 1 7.109 0.020 . 1 . . . . . 113 ALA H . 50395 1 196 . 1 . 1 117 117 ALA N N 15 119.478 0.3 . 1 . . . . . 113 ALA N . 50395 1 197 . 1 . 1 118 118 MET H H 1 7.331 0.020 . 1 . . . . . 114 MET H . 50395 1 198 . 1 . 1 118 118 MET N N 15 113.747 0.3 . 1 . . . . . 114 MET N . 50395 1 199 . 1 . 1 119 119 ASN H H 1 7.039 0.020 . 1 . . . . . 115 ASN H . 50395 1 200 . 1 . 1 119 119 ASN N N 15 110.889 0.3 . 1 . . . . . 115 ASN N . 50395 1 201 . 1 . 1 120 120 ALA H H 1 6.437 0.020 . 1 . . . . . 116 ALA H . 50395 1 202 . 1 . 1 120 120 ALA N N 15 119.889 0.3 . 1 . . . . . 116 ALA N . 50395 1 203 . 1 . 1 121 121 TYR H H 1 7.031 0.020 . 1 . . . . . 117 TYR H . 50395 1 204 . 1 . 1 121 121 TYR N N 15 118.977 0.3 . 1 . . . . . 117 TYR N . 50395 1 205 . 1 . 1 123 123 LEU H H 1 7.421 0.020 . 1 . . . . . 119 LEU H . 50395 1 206 . 1 . 1 123 123 LEU N N 15 118.046 0.3 . 1 . . . . . 119 LEU N . 50395 1 207 . 1 . 1 124 124 VAL H H 1 8.833 0.020 . 1 . . . . . 120 VAL H . 50395 1 208 . 1 . 1 124 124 VAL N N 15 130.279 0.3 . 1 . . . . . 120 VAL N . 50395 1 209 . 1 . 1 125 125 VAL H H 1 8.838 0.020 . 1 . . . . . 121 VAL H . 50395 1 210 . 1 . 1 125 125 VAL N N 15 127.76 0.3 . 1 . . . . . 121 VAL N . 50395 1 211 . 1 . 1 126 126 THR H H 1 9.021 0.020 . 1 . . . . . 122 THR H . 50395 1 212 . 1 . 1 126 126 THR N N 15 121.261 0.3 . 1 . . . . . 122 THR N . 50395 1 213 . 1 . 1 128 128 LEU H H 1 8.705 0.020 . 1 . . . . . 124 LEU H . 50395 1 214 . 1 . 1 128 128 LEU N N 15 117.267 0.3 . 1 . . . . . 124 LEU N . 50395 1 215 . 1 . 1 129 129 VAL H H 1 7.554 0.020 . 1 . . . . . 125 VAL H . 50395 1 216 . 1 . 1 129 129 VAL N N 15 128.756 0.3 . 1 . . . . . 125 VAL N . 50395 1 217 . 1 . 1 130 130 SER H H 1 8.759 0.020 . 1 . . . . . 126 SER H . 50395 1 218 . 1 . 1 130 130 SER N N 15 117.477 0.3 . 1 . . . . . 126 SER N . 50395 1 219 . 1 . 1 131 131 ALA H H 1 7.003 0.020 . 1 . . . . . 127 ALA H . 50395 1 220 . 1 . 1 131 131 ALA N N 15 119.746 0.3 . 1 . . . . . 127 ALA N . 50395 1 221 . 1 . 1 132 132 GLY H H 1 8.455 0.020 . 1 . . . . . 128 GLY H . 50395 1 222 . 1 . 1 132 132 GLY N N 15 110.706 0.3 . 1 . . . . . 128 GLY N . 50395 1 223 . 1 . 1 134 134 PHE H H 1 7.733 0.020 . 1 . . . . . 130 PHE H . 50395 1 224 . 1 . 1 134 134 PHE N N 15 118.914 0.3 . 1 . . . . . 130 PHE N . 50395 1 225 . 1 . 1 135 135 GLY H H 1 7.882 0.020 . 1 . . . . . 131 GLY H . 50395 1 226 . 1 . 1 135 135 GLY N N 15 102.639 0.3 . 1 . . . . . 131 GLY N . 50395 1 227 . 1 . 1 136 136 VAL H H 1 8.419 0.020 . 1 . . . . . 132 VAL H . 50395 1 228 . 1 . 1 136 136 VAL N N 15 123.362 0.3 . 1 . . . . . 132 VAL N . 50395 1 229 . 1 . 1 137 137 LYS H H 1 8.725 0.020 . 1 . . . . . 133 LYS H . 50395 1 230 . 1 . 1 137 137 LYS N N 15 128.747 0.3 . 1 . . . . . 133 LYS N . 50395 1 231 . 1 . 1 139 139 ALA H H 1 8.656 0.020 . 1 . . . . . 135 ALA H . 50395 1 232 . 1 . 1 139 139 ALA N N 15 115.471 0.3 . 1 . . . . . 135 ALA N . 50395 1 233 . 1 . 1 140 140 VAL H H 1 7.186 0.020 . 1 . . . . . 136 VAL H . 50395 1 234 . 1 . 1 140 140 VAL N N 15 118.209 0.3 . 1 . . . . . 136 VAL N . 50395 1 235 . 1 . 1 141 141 SER H H 1 7.402 0.020 . 1 . . . . . 137 SER H . 50395 1 236 . 1 . 1 141 141 SER N N 15 111.951 0.3 . 1 . . . . . 137 SER N . 50395 1 237 . 1 . 1 142 142 PHE H H 1 8.86 0.020 . 1 . . . . . 138 PHE H . 50395 1 238 . 1 . 1 142 142 PHE N N 15 116.865 0.3 . 1 . . . . . 138 PHE N . 50395 1 239 . 1 . 1 143 143 ASP H H 1 7.618 0.020 . 1 . . . . . 139 ASP H . 50395 1 240 . 1 . 1 143 143 ASP N N 15 118.515 0.3 . 1 . . . . . 139 ASP N . 50395 1 241 . 1 . 1 144 144 TYR H H 1 7.642 0.020 . 1 . . . . . 140 TYR H . 50395 1 242 . 1 . 1 144 144 TYR N N 15 115.392 0.3 . 1 . . . . . 140 TYR N . 50395 1 243 . 1 . 1 145 145 LEU H H 1 7.198 0.020 . 1 . . . . . 141 LEU H . 50395 1 244 . 1 . 1 145 145 LEU N N 15 121.503 0.3 . 1 . . . . . 141 LEU N . 50395 1 245 . 1 . 1 146 146 ILE H H 1 8.082 0.020 . 1 . . . . . 142 ILE H . 50395 1 246 . 1 . 1 146 146 ILE N N 15 116.98 0.3 . 1 . . . . . 142 ILE N . 50395 1 247 . 1 . 1 147 147 ARG H H 1 7.545 0.020 . 1 . . . . . 143 ARG H . 50395 1 248 . 1 . 1 147 147 ARG N N 15 118.097 0.3 . 1 . . . . . 143 ARG N . 50395 1 249 . 1 . 1 148 148 GLU H H 1 7.431 0.020 . 1 . . . . . 144 GLU H . 50395 1 250 . 1 . 1 148 148 GLU N N 15 114.003 0.3 . 1 . . . . . 144 GLU N . 50395 1 251 . 1 . 1 149 149 ALA H H 1 8.299 0.020 . 1 . . . . . 145 ALA H . 50395 1 252 . 1 . 1 149 149 ALA N N 15 122.182 0.3 . 1 . . . . . 145 ALA N . 50395 1 253 . 1 . 1 150 150 LYS H H 1 9.076 0.020 . 1 . . . . . 146 LYS H . 50395 1 254 . 1 . 1 150 150 LYS N N 15 122.512 0.3 . 1 . . . . . 146 LYS N . 50395 1 255 . 1 . 1 151 151 THR H H 1 7.059 0.020 . 1 . . . . . 147 THR H . 50395 1 256 . 1 . 1 151 151 THR N N 15 115.779 0.3 . 1 . . . . . 147 THR N . 50395 1 257 . 1 . 1 152 152 ARG H H 1 7.364 0.020 . 1 . . . . . 148 ARG H . 50395 1 258 . 1 . 1 152 152 ARG N N 15 120.276 0.3 . 1 . . . . . 148 ARG N . 50395 1 259 . 1 . 1 153 153 VAL H H 1 8.705 0.020 . 1 . . . . . 149 VAL H . 50395 1 260 . 1 . 1 153 153 VAL N N 15 126.227 0.3 . 1 . . . . . 149 VAL N . 50395 1 261 . 1 . 1 154 154 LEU H H 1 9.189 0.020 . 1 . . . . . 150 LEU H . 50395 1 262 . 1 . 1 154 154 LEU N N 15 129.116 0.3 . 1 . . . . . 150 LEU N . 50395 1 263 . 1 . 1 155 155 VAL H H 1 8.958 0.020 . 1 . . . . . 151 VAL H . 50395 1 264 . 1 . 1 155 155 VAL N N 15 124.893 0.3 . 1 . . . . . 151 VAL N . 50395 1 265 . 1 . 1 156 156 VAL H H 1 8.91 0.020 . 1 . . . . . 152 VAL H . 50395 1 266 . 1 . 1 156 156 VAL N N 15 128.244 0.3 . 1 . . . . . 152 VAL N . 50395 1 267 . 1 . 1 157 157 VAL H H 1 9.074 0.020 . 1 . . . . . 153 VAL H . 50395 1 268 . 1 . 1 157 157 VAL N N 15 123.18 0.3 . 1 . . . . . 153 VAL N . 50395 1 269 . 1 . 1 159 159 SER H H 1 7.15 0.020 . 1 . . . . . 155 SER H . 50395 1 270 . 1 . 1 159 159 SER N N 15 113.049 0.3 . 1 . . . . . 155 SER N . 50395 1 271 . 1 . 1 160 160 GLN H H 1 9.238 0.020 . 1 . . . . . 156 GLN H . 50395 1 272 . 1 . 1 160 160 GLN N N 15 129.932 0.3 . 1 . . . . . 156 GLN N . 50395 1 273 . 1 . 1 161 161 ASP H H 1 8.253 0.020 . 1 . . . . . 157 ASP H . 50395 1 274 . 1 . 1 161 161 ASP N N 15 118.972 0.3 . 1 . . . . . 157 ASP N . 50395 1 275 . 1 . 1 162 162 VAL H H 1 7.472 0.020 . 1 . . . . . 158 VAL H . 50395 1 276 . 1 . 1 162 162 VAL N N 15 121.775 0.3 . 1 . . . . . 158 VAL N . 50395 1 277 . 1 . 1 163 163 TYR H H 1 8.248 0.020 . 1 . . . . . 159 TYR H . 50395 1 278 . 1 . 1 163 163 TYR N N 15 120.53 0.3 . 1 . . . . . 159 TYR N . 50395 1 279 . 1 . 1 164 164 LYS H H 1 8.656 0.020 . 1 . . . . . 160 LYS H . 50395 1 280 . 1 . 1 164 164 LYS N N 15 118.736 0.3 . 1 . . . . . 160 LYS N . 50395 1 281 . 1 . 1 165 165 SER H H 1 7.533 0.020 . 1 . . . . . 161 SER H . 50395 1 282 . 1 . 1 165 165 SER N N 15 113.436 0.3 . 1 . . . . . 161 SER N . 50395 1 283 . 1 . 1 166 166 LEU H H 1 7.171 0.020 . 1 . . . . . 162 LEU H . 50395 1 284 . 1 . 1 166 166 LEU N N 15 119.068 0.3 . 1 . . . . . 162 LEU N . 50395 1 285 . 1 . 1 167 167 THR H H 1 7.092 0.020 . 1 . . . . . 163 THR H . 50395 1 286 . 1 . 1 167 167 THR N N 15 106.493 0.3 . 1 . . . . . 163 THR N . 50395 1 287 . 1 . 1 168 168 ILE H H 1 7.027 0.020 . 1 . . . . . 164 ILE H . 50395 1 288 . 1 . 1 168 168 ILE N N 15 125.807 0.3 . 1 . . . . . 164 ILE N . 50395 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 50395 _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' . . . 50395 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 . . 50395 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 8.063 0.020 . 1 . . . . . 2 LEU H . 50395 2 2 . 1 . 1 6 6 LEU N N 15 116.352 0.3 . 1 . . . . . 2 LEU N . 50395 2 3 . 1 . 1 7 7 SER H H 1 7.864 0.020 . 1 . . . . . 3 SER H . 50395 2 4 . 1 . 1 7 7 SER N N 15 113.65 0.3 . 1 . . . . . 3 SER N . 50395 2 5 . 1 . 1 8 8 ASN H H 1 7.892 0.020 . 1 . . . . . 4 ASN H . 50395 2 6 . 1 . 1 8 8 ASN N N 15 116.747 0.3 . 1 . . . . . 4 ASN N . 50395 2 7 . 1 . 1 9 9 PHE H H 1 7.916 0.020 . 1 . . . . . 5 PHE H . 50395 2 8 . 1 . 1 9 9 PHE N N 15 117.485 0.3 . 1 . . . . . 5 PHE N . 50395 2 9 . 1 . 1 10 10 GLU H H 1 9.6 0.020 . 1 . . . . . 6 GLU H . 50395 2 10 . 1 . 1 10 10 GLU N N 15 129.615 0.3 . 1 . . . . . 6 GLU N . 50395 2 11 . 1 . 1 11 11 HIS H H 1 8.299 0.020 . 1 . . . . . 7 HIS H . 50395 2 12 . 1 . 1 11 11 HIS N N 15 120.666 0.3 . 1 . . . . . 7 HIS N . 50395 2 13 . 1 . 1 12 12 LYS H H 1 9.198 0.020 . 1 . . . . . 8 LYS H . 50395 2 14 . 1 . 1 12 12 LYS N N 15 119.334 0.3 . 1 . . . . . 8 LYS N . 50395 2 15 . 1 . 1 14 14 ILE H H 1 8.834 0.020 . 1 . . . . . 10 ILE H . 50395 2 16 . 1 . 1 14 14 ILE N N 15 129.847 0.3 . 1 . . . . . 10 ILE N . 50395 2 17 . 1 . 1 15 15 THR H H 1 8.468 0.020 . 1 . . . . . 11 THR H . 50395 2 18 . 1 . 1 15 15 THR N N 15 110.061 0.3 . 1 . . . . . 11 THR N . 50395 2 19 . 1 . 1 16 16 GLU H H 1 8.953 0.3 . 1 . . . . . 12 GLU H . 50395 2 20 . 1 . 1 16 16 GLU N N 15 116.645 0.3 . 1 . . . . . 12 GLU N . 50395 2 21 . 1 . 1 17 17 CYS H H 1 7.676 0.020 . 1 . . . . . 13 CYS H . 50395 2 22 . 1 . 1 17 17 CYS N N 15 112.738 0.3 . 1 . . . . . 13 CYS N . 50395 2 23 . 1 . 1 19 19 THR H H 1 8.49 0.020 . 1 . . . . . 15 THR H . 50395 2 24 . 1 . 1 19 19 THR N N 15 126.988 0.3 . 1 . . . . . 15 THR N . 50395 2 25 . 1 . 1 20 20 ILE H H 1 9.123 0.020 . 1 . . . . . 16 ILE H . 50395 2 26 . 1 . 1 20 20 ILE N N 15 126.476 0.3 . 1 . . . . . 16 ILE N . 50395 2 27 . 1 . 1 21 21 VAL H H 1 9.519 0.020 . 1 . . . . . 17 VAL H . 50395 2 28 . 1 . 1 21 21 VAL N N 15 128.152 0.3 . 1 . . . . . 17 VAL N . 50395 2 29 . 1 . 1 22 22 LEU H H 1 8.292 0.020 . 1 . . . . . 18 LEU H . 50395 2 30 . 1 . 1 22 22 LEU N N 15 129.645 0.3 . 1 . . . . . 18 LEU N . 50395 2 31 . 1 . 1 23 23 GLY H H 1 8.628 0.020 . 1 . . . . . 19 GLY H . 50395 2 32 . 1 . 1 23 23 GLY N N 15 114.196 0.3 . 1 . . . . . 19 GLY N . 50395 2 33 . 1 . 1 24 24 ASP H H 1 7.648 0.020 . 1 . . . . . 20 ASP H . 50395 2 34 . 1 . 1 24 24 ASP N N 15 118.111 0.3 . 1 . . . . . 20 ASP N . 50395 2 35 . 1 . 1 26 26 ILE H H 1 8.272 0.020 . 1 . . . . . 22 ILE H . 50395 2 36 . 1 . 1 26 26 ILE N N 15 115.665 0.3 . 1 . . . . . 22 ILE N . 50395 2 37 . 1 . 1 27 27 GLN H H 1 7.454 0.020 . 1 . . . . . 23 GLN H . 50395 2 38 . 1 . 1 27 27 GLN N N 15 119.435 0.3 . 1 . . . . . 23 GLN N . 50395 2 39 . 1 . 1 28 28 VAL H H 1 7.997 0.020 . 1 . . . . . 24 VAL H . 50395 2 40 . 1 . 1 28 28 VAL N N 15 119.468 0.3 . 1 . . . . . 24 VAL N . 50395 2 41 . 1 . 1 29 29 ALA H H 1 8.203 0.020 . 1 . . . . . 25 ALA H . 50395 2 42 . 1 . 1 29 29 ALA N N 15 120.671 0.3 . 1 . . . . . 25 ALA N . 50395 2 43 . 1 . 1 30 30 LYS H H 1 7.533 0.020 . 1 . . . . . 26 LYS H . 50395 2 44 . 1 . 1 30 30 LYS N N 15 115.737 0.3 . 1 . . . . . 26 LYS N . 50395 2 45 . 1 . 1 31 31 CYS H H 1 7.622 0.020 . 1 . . . . . 27 CYS H . 50395 2 46 . 1 . 1 31 31 CYS N N 15 115.104 0.3 . 1 . . . . . 27 CYS N . 50395 2 47 . 1 . 1 32 32 TYR H H 1 7.618 0.020 . 1 . . . . . 28 TYR H . 50395 2 48 . 1 . 1 32 32 TYR N N 15 117.826 0.3 . 1 . . . . . 28 TYR N . 50395 2 49 . 1 . 1 33 33 GLY H H 1 8.737 0.020 . 1 . . . . . 29 GLY H . 50395 2 50 . 1 . 1 33 33 GLY N N 15 112.898 0.3 . 1 . . . . . 29 GLY N . 50395 2 51 . 1 . 1 34 34 GLU H H 1 9.02 0.020 . 1 . . . . . 30 GLU H . 50395 2 52 . 1 . 1 34 34 GLU N N 15 117.568 0.3 . 1 . . . . . 30 GLU N . 50395 2 53 . 1 . 1 35 35 SER H H 1 8.012 0.020 . 1 . . . . . 31 SER H . 50395 2 54 . 1 . 1 35 35 SER N N 15 115.304 0.3 . 1 . . . . . 31 SER N . 50395 2 55 . 1 . 1 36 36 VAL H H 1 7.609 0.020 . 1 . . . . . 32 VAL H . 50395 2 56 . 1 . 1 36 36 VAL N N 15 119.396 0.3 . 1 . . . . . 32 VAL N . 50395 2 57 . 1 . 1 37 37 LEU H H 1 7.457 0.020 . 1 . . . . . 33 LEU H . 50395 2 58 . 1 . 1 37 37 LEU N N 15 128.814 0.3 . 1 . . . . . 33 LEU N . 50395 2 59 . 1 . 1 39 39 ASN H H 1 8.284 0.020 . 1 . . . . . 35 ASN H . 50395 2 60 . 1 . 1 39 39 ASN N N 15 119.07 0.3 . 1 . . . . . 35 ASN N . 50395 2 61 . 1 . 1 40 40 ALA H H 1 5.988 0.020 . 1 . . . . . 36 ALA H . 50395 2 62 . 1 . 1 40 40 ALA N N 15 131.25 0.3 . 1 . . . . . 36 ALA N . 50395 2 63 . 1 . 1 41 41 ALA H H 1 131.25 0.020 . 1 . . . . . 37 ALA H . 50395 2 64 . 1 . 1 41 41 ALA N N 15 126.921 0.3 . 1 . . . . . 37 ALA N . 50395 2 65 . 1 . 1 42 42 ASN H H 1 7.286 0.020 . 1 . . . . . 38 ASN H . 50395 2 66 . 1 . 1 42 42 ASN N N 15 112.106 0.3 . 1 . . . . . 38 ASN N . 50395 2 67 . 1 . 1 43 43 THR H H 1 8.417 0.020 . 1 . . . . . 39 THR H . 50395 2 68 . 1 . 1 43 43 THR N N 15 107.675 0.3 . 1 . . . . . 39 THR N . 50395 2 69 . 1 . 1 44 44 HIS H H 1 7.457 0.020 . 1 . . . . . 40 HIS H . 50395 2 70 . 1 . 1 44 44 HIS N N 15 114.216 0.3 . 1 . . . . . 40 HIS N . 50395 2 71 . 1 . 1 45 45 LEU H H 1 8.132 0.020 . 1 . . . . . 41 LEU H . 50395 2 72 . 1 . 1 45 45 LEU N N 15 115.421 0.3 . 1 . . . . . 41 LEU N . 50395 2 73 . 1 . 1 46 46 LYS H H 1 8.138 0.020 . 1 . . . . . 42 LYS H . 50395 2 74 . 1 . 1 46 46 LYS N N 15 116.102 0.3 . 1 . . . . . 42 LYS N . 50395 2 75 . 1 . 1 48 48 GLY H H 1 8.023 0.020 . 1 . . . . . 44 GLY H . 50395 2 76 . 1 . 1 48 48 GLY N N 15 109.778 0.3 . 1 . . . . . 44 GLY N . 50395 2 77 . 1 . 1 49 49 GLY H H 1 8.014 0.020 . 1 . . . . . 45 GLY H . 50395 2 78 . 1 . 1 49 49 GLY N N 15 108.972 0.3 . 1 . . . . . 45 GLY N . 50395 2 79 . 1 . 1 50 50 GLY H H 1 8.565 0.020 . 1 . . . . . 46 GLY H . 50395 2 80 . 1 . 1 50 50 GLY N N 15 108.117 0.3 . 1 . . . . . 46 GLY N . 50395 2 81 . 1 . 1 51 51 ILE H H 1 9.82 0.020 . 1 . . . . . 47 ILE H . 50395 2 82 . 1 . 1 51 51 ILE N N 15 127.261 0.3 . 1 . . . . . 47 ILE N . 50395 2 83 . 1 . 1 52 52 ALA H H 1 8.889 0.020 . 1 . . . . . 48 ALA H . 50395 2 84 . 1 . 1 53 53 GLY N N 15 127.987 0.3 . 1 . . . . . 49 GLY N . 50395 2 85 . 1 . 1 54 54 ALA H H 1 7.997 0.3 . 1 . . . . . 50 ALA H . 50395 2 86 . 1 . 1 54 54 ALA N N 15 127.152 0.3 . 1 . . . . . 50 ALA N . 50395 2 87 . 1 . 1 55 55 ILE H H 1 9.143 0.020 . 1 . . . . . 51 ILE H . 50395 2 88 . 1 . 1 55 55 ILE N N 15 123.083 0.3 . 1 . . . . . 51 ILE N . 50395 2 89 . 1 . 1 56 56 ASN H H 1 8.696 0.020 . 1 . . . . . 52 ASN H . 50395 2 90 . 1 . 1 56 56 ASN N N 15 117.326 0.3 . 1 . . . . . 52 ASN N . 50395 2 91 . 1 . 1 57 57 ALA H H 1 8.775 0.020 . 1 . . . . . 53 ALA H . 50395 2 92 . 1 . 1 57 57 ALA N N 15 124.376 0.3 . 1 . . . . . 53 ALA N . 50395 2 93 . 1 . 1 58 58 ALA H H 1 8.248 0.020 . 1 . . . . . 54 ALA H . 50395 2 94 . 1 . 1 58 58 ALA N N 15 123.007 0.3 . 1 . . . . . 54 ALA N . 50395 2 95 . 1 . 1 59 59 SER H H 1 7.862 0.020 . 1 . . . . . 55 SER H . 50395 2 96 . 1 . 1 59 59 SER N N 15 111.529 0.3 . 1 . . . . . 55 SER N . 50395 2 97 . 1 . 1 60 60 LYS H H 1 8.407 0.020 . 1 . . . . . 56 LYS H . 50395 2 98 . 1 . 1 60 60 LYS N N 15 121.443 0.3 . 1 . . . . . 56 LYS N . 50395 2 99 . 1 . 1 61 61 GLY H H 1 7.818 0.020 . 1 . . . . . 57 GLY H . 50395 2 100 . 1 . 1 61 61 GLY N N 15 103.964 0.3 . 1 . . . . . 57 GLY N . 50395 2 101 . 1 . 1 62 62 ALA H H 1 7.735 0.020 . 1 . . . . . 58 ALA H . 50395 2 102 . 1 . 1 62 62 ALA N N 15 125.51 0.3 . 1 . . . . . 58 ALA N . 50395 2 103 . 1 . 1 63 63 VAL H H 1 8.121 0.020 . 1 . . . . . 59 VAL H . 50395 2 104 . 1 . 1 63 63 VAL N N 15 117.247 0.3 . 1 . . . . . 59 VAL N . 50395 2 105 . 1 . 1 64 64 GLN H H 1 8.198 0.020 . 1 . . . . . 60 GLN H . 50395 2 106 . 1 . 1 64 64 GLN N N 15 123.582 0.3 . 1 . . . . . 60 GLN N . 50395 2 107 . 1 . 1 66 66 GLU H H 1 7.786 0.020 . 1 . . . . . 62 GLU H . 50395 2 108 . 1 . 1 66 66 GLU N N 15 118.984 0.3 . 1 . . . . . 62 GLU N . 50395 2 109 . 1 . 1 67 67 SER H H 1 8.333 0.020 . 1 . . . . . 63 SER H . 50395 2 110 . 1 . 1 67 67 SER N N 15 116.988 0.3 . 1 . . . . . 63 SER N . 50395 2 111 . 1 . 1 68 68 ASP H H 1 8.854 0.020 . 1 . . . . . 64 ASP H . 50395 2 112 . 1 . 1 68 68 ASP N N 15 123.069 0.3 . 1 . . . . . 64 ASP N . 50395 2 113 . 1 . 1 70 70 TYR H H 1 8.102 0.3 . 1 . . . . . 66 TYR H . 50395 2 114 . 1 . 1 70 70 TYR N N 15 122.779 0.3 . 1 . . . . . 66 TYR N . 50395 2 115 . 1 . 1 71 71 ILE H H 1 8.584 0.020 . 1 . . . . . 67 ILE H . 50395 2 116 . 1 . 1 71 71 ILE N N 15 120.223 0.3 . 1 . . . . . 67 ILE N . 50395 2 117 . 1 . 1 72 72 LEU H H 1 7.918 0.020 . 1 . . . . . 68 LEU H . 50395 2 118 . 1 . 1 72 72 LEU N N 15 121.298 0.3 . 1 . . . . . 68 LEU N . 50395 2 119 . 1 . 1 73 73 ALA H H 1 7.311 0.020 . 1 . . . . . 69 ALA H . 50395 2 120 . 1 . 1 73 73 ALA N N 15 118.899 0.3 . 1 . . . . . 69 ALA N . 50395 2 121 . 1 . 1 74 74 LYS H H 1 8.414 0.020 . 1 . . . . . 70 LYS H . 50395 2 122 . 1 . 1 74 74 LYS N N 15 115.737 0.3 . 1 . . . . . 70 LYS N . 50395 2 123 . 1 . 1 75 75 GLY H H 1 8.106 0.020 . 1 . . . . . 71 GLY H . 50395 2 124 . 1 . 1 75 75 GLY N N 15 110.646 0.3 . 1 . . . . . 71 GLY N . 50395 2 125 . 1 . 1 77 77 LEU H H 1 8.328 0.020 . 1 . . . . . 73 LEU H . 50395 2 126 . 1 . 1 77 77 LEU N N 15 123.268 0.3 . 1 . . . . . 73 LEU N . 50395 2 127 . 1 . 1 78 78 GLN H H 1 8.448 0.020 . 1 . . . . . 74 GLN H . 50395 2 128 . 1 . 1 78 78 GLN N N 15 117.067 0.3 . 1 . . . . . 74 GLN N . 50395 2 129 . 1 . 1 79 79 VAL H H 1 8.105 0.020 . 1 . . . . . 75 VAL H . 50395 2 130 . 1 . 1 79 79 VAL N N 15 120.697 0.3 . 1 . . . . . 75 VAL N . 50395 2 131 . 1 . 1 80 80 GLY H H 1 9.321 0.020 . 1 . . . . . 76 GLY H . 50395 2 132 . 1 . 1 80 80 GLY N N 15 118.439 0.3 . 1 . . . . . 76 GLY N . 50395 2 133 . 1 . 1 81 81 ASP H H 1 7.921 0.020 . 1 . . . . . 77 ASP H . 50395 2 134 . 1 . 1 81 81 ASP N N 15 119.685 0.3 . 1 . . . . . 77 ASP N . 50395 2 135 . 1 . 1 82 82 SER H H 1 7.87 0.020 . 1 . . . . . 78 SER H . 50395 2 136 . 1 . 1 82 82 SER N N 15 107.749 0.3 . 1 . . . . . 78 SER N . 50395 2 137 . 1 . 1 83 83 VAL H H 1 8.734 0.020 . 1 . . . . . 79 VAL H . 50395 2 138 . 1 . 1 83 83 VAL N N 15 117.346 0.3 . 1 . . . . . 79 VAL N . 50395 2 139 . 1 . 1 84 84 LEU H H 1 8.569 0.020 . 1 . . . . . 80 LEU H . 50395 2 140 . 1 . 1 84 84 LEU N N 15 131.859 0.3 . 1 . . . . . 80 LEU N . 50395 2 141 . 1 . 1 85 85 LEU H H 1 9.2 0.020 . 1 . . . . . 81 LEU H . 50395 2 142 . 1 . 1 85 85 LEU N N 15 130.782 0.3 . 1 . . . . . 81 LEU N . 50395 2 143 . 1 . 1 86 86 GLN H H 1 9.899 0.020 . 1 . . . . . 82 GLN H . 50395 2 144 . 1 . 1 86 86 GLN N N 15 121.402 0.3 . 1 . . . . . 82 GLN N . 50395 2 145 . 1 . 1 87 87 GLY H H 1 8.591 0.020 . 1 . . . . . 83 GLY H . 50395 2 146 . 1 . 1 87 87 GLY N N 15 104.781 0.3 . 1 . . . . . 83 GLY N . 50395 2 147 . 1 . 1 88 88 HIS H H 1 7.813 0.020 . 1 . . . . . 84 HIS H . 50395 2 148 . 1 . 1 88 88 HIS N N 15 113.776 0.3 . 1 . . . . . 84 HIS N . 50395 2 149 . 1 . 1 89 89 SER H H 1 8.684 0.020 . 1 . . . . . 85 SER H . 50395 2 150 . 1 . 1 89 89 SER N N 15 108.646 0.3 . 1 . . . . . 85 SER N . 50395 2 151 . 1 . 1 90 90 LEU H H 1 8.483 0.020 . 1 . . . . . 86 LEU H . 50395 2 152 . 1 . 1 90 90 LEU N N 15 123 0.3 . 1 . . . . . 86 LEU N . 50395 2 153 . 1 . 1 91 91 ALA H H 1 7.264 0.020 . 1 . . . . . 87 ALA H . 50395 2 154 . 1 . 1 91 91 ALA N N 15 115.466 0.3 . 1 . . . . . 87 ALA N . 50395 2 155 . 1 . 1 92 92 LYS H H 1 8.832 0.020 . 1 . . . . . 88 LYS H . 50395 2 156 . 1 . 1 92 92 LYS N N 15 122.444 0.3 . 1 . . . . . 88 LYS N . 50395 2 157 . 1 . 1 93 93 ASN H H 1 7.436 0.020 . 1 . . . . . 89 ASN H . 50395 2 158 . 1 . 1 93 93 ASN N N 15 108.441 0.3 . 1 . . . . . 89 ASN N . 50395 2 159 . 1 . 1 94 94 ILE H H 1 7.191 0.020 . 1 . . . . . 90 ILE H . 50395 2 160 . 1 . 1 94 94 ILE N N 15 119.56 0.3 . 1 . . . . . 90 ILE N . 50395 2 161 . 1 . 1 95 95 LEU H H 1 8.641 0.020 . 1 . . . . . 91 LEU H . 50395 2 162 . 1 . 1 95 95 LEU N N 15 130.049 0.3 . 1 . . . . . 91 LEU N . 50395 2 163 . 1 . 1 96 96 HIS H H 1 9.136 0.020 . 1 . . . . . 92 HIS H . 50395 2 164 . 1 . 1 96 96 HIS N N 15 129.841 0.3 . 1 . . . . . 92 HIS N . 50395 2 165 . 1 . 1 97 97 VAL H H 1 8.687 0.020 . 1 . . . . . 93 VAL H . 50395 2 166 . 1 . 1 97 97 VAL N N 15 120.281 0.3 . 1 . . . . . 93 VAL N . 50395 2 167 . 1 . 1 98 98 VAL H H 1 7.948 0.020 . 1 . . . . . 94 VAL H . 50395 2 168 . 1 . 1 98 98 VAL N N 15 124.392 0.3 . 1 . . . . . 94 VAL N . 50395 2 169 . 1 . 1 99 99 GLY H H 1 8.848 0.020 . 1 . . . . . 95 GLY H . 50395 2 170 . 1 . 1 99 99 GLY N N 15 115.249 0.3 . 1 . . . . . 95 GLY N . 50395 2 171 . 1 . 1 101 101 ASP H H 1 8.533 0.020 . 1 . . . . . 97 ASP H . 50395 2 172 . 1 . 1 101 101 ASP N N 15 120.132 0.3 . 1 . . . . . 97 ASP N . 50395 2 173 . 1 . 1 102 102 ALA H H 1 9.447 0.020 . 1 . . . . . 98 ALA H . 50395 2 174 . 1 . 1 102 102 ALA N N 15 130.209 0.3 . 1 . . . . . 98 ALA N . 50395 2 175 . 1 . 1 103 103 ARG H H 1 8.487 0.020 . 1 . . . . . 99 ARG H . 50395 2 176 . 1 . 1 103 103 ARG N N 15 119.472 0.3 . 1 . . . . . 99 ARG N . 50395 2 177 . 1 . 1 104 104 ALA H H 1 6.748 0.020 . 1 . . . . . 100 ALA H . 50395 2 178 . 1 . 1 104 104 ALA N N 15 118.919 0.3 . 1 . . . . . 100 ALA N . 50395 2 179 . 1 . 1 105 105 LYS H H 1 7.754 0.020 . 1 . . . . . 101 LYS H . 50395 2 180 . 1 . 1 105 105 LYS N N 15 113.312 0.3 . 1 . . . . . 101 LYS N . 50395 2 181 . 1 . 1 108 108 VAL H H 1 8.311 0.020 . 1 . . . . . 104 VAL H . 50395 2 182 . 1 . 1 108 108 VAL N N 15 127.76 0.3 . 1 . . . . . 104 VAL N . 50395 2 183 . 1 . 1 109 109 SER H H 1 8.39 0.020 . 1 . . . . . 105 SER H . 50395 2 184 . 1 . 1 109 109 SER N N 15 114.321 0.3 . 1 . . . . . 105 SER N . 50395 2 185 . 1 . 1 110 110 LEU H H 1 7.879 0.020 . 1 . . . . . 106 LEU H . 50395 2 186 . 1 . 1 110 110 LEU N N 15 124.785 0.3 . 1 . . . . . 106 LEU N . 50395 2 187 . 1 . 1 111 111 LEU H H 1 8.261 0.020 . 1 . . . . . 107 LEU H . 50395 2 188 . 1 . 1 111 111 LEU N N 15 120.187 0.3 . 1 . . . . . 107 LEU N . 50395 2 189 . 1 . 1 112 112 SER H H 1 7.689 0.020 . 1 . . . . . 108 SER H . 50395 2 190 . 1 . 1 112 112 SER N N 15 113.697 0.3 . 1 . . . . . 108 SER N . 50395 2 191 . 1 . 1 113 113 LYS H H 1 6.947 0.020 . 1 . . . . . 109 LYS H . 50395 2 192 . 1 . 1 113 113 LYS N N 15 119.923 0.3 . 1 . . . . . 109 LYS N . 50395 2 193 . 1 . 1 114 114 CYS H H 1 7.349 0.020 . 1 . . . . . 110 CYS H . 50395 2 194 . 1 . 1 114 114 CYS N N 15 117.542 0.3 . 1 . . . . . 110 CYS N . 50395 2 195 . 1 . 1 115 115 TYR H H 1 7.848 0.020 . 1 . . . . . 111 TYR H . 50395 2 196 . 1 . 1 115 115 TYR N N 15 113.012 0.3 . 1 . . . . . 111 TYR N . 50395 2 197 . 1 . 1 116 116 LYS H H 1 8.484 0.020 . 1 . . . . . 112 LYS H . 50395 2 198 . 1 . 1 116 116 LYS N N 15 119.831 0.3 . 1 . . . . . 112 LYS N . 50395 2 199 . 1 . 1 117 117 ALA H H 1 7.174 0.020 . 1 . . . . . 113 ALA H . 50395 2 200 . 1 . 1 117 117 ALA N N 15 119.456 0.3 . 1 . . . . . 113 ALA N . 50395 2 201 . 1 . 1 118 118 MET H H 1 7.413 0.020 . 1 . . . . . 114 MET H . 50395 2 202 . 1 . 1 118 118 MET N N 15 113.701 0.3 . 1 . . . . . 114 MET N . 50395 2 203 . 1 . 1 119 119 ASN H H 1 7.122 0.020 . 1 . . . . . 115 ASN H . 50395 2 204 . 1 . 1 119 119 ASN N N 15 111.01 0.3 . 1 . . . . . 115 ASN N . 50395 2 205 . 1 . 1 120 120 ALA H H 1 6.536 0.020 . 1 . . . . . 116 ALA H . 50395 2 206 . 1 . 1 120 120 ALA N N 15 120.007 0.3 . 1 . . . . . 116 ALA N . 50395 2 207 . 1 . 1 121 121 TYR H H 1 7.146 0.020 . 1 . . . . . 117 TYR H . 50395 2 208 . 1 . 1 121 121 TYR N N 15 118.815 0.3 . 1 . . . . . 117 TYR N . 50395 2 209 . 1 . 1 123 123 LEU H H 1 7.472 0.020 . 1 . . . . . 119 LEU H . 50395 2 210 . 1 . 1 123 123 LEU N N 15 117.983 0.3 . 1 . . . . . 119 LEU N . 50395 2 211 . 1 . 1 124 124 VAL H H 1 8.89 0.020 . 1 . . . . . 120 VAL H . 50395 2 212 . 1 . 1 124 124 VAL N N 15 130.265 0.3 . 1 . . . . . 120 VAL N . 50395 2 213 . 1 . 1 125 125 VAL H H 1 8.943 0.020 . 1 . . . . . 121 VAL H . 50395 2 214 . 1 . 1 125 125 VAL N N 15 127.973 0.3 . 1 . . . . . 121 VAL N . 50395 2 215 . 1 . 1 126 126 THR H H 1 9.088 0.020 . 1 . . . . . 122 THR H . 50395 2 216 . 1 . 1 126 126 THR N N 15 121.289 0.3 . 1 . . . . . 122 THR N . 50395 2 217 . 1 . 1 128 128 LEU H H 1 8.809 0.020 . 1 . . . . . 124 LEU H . 50395 2 218 . 1 . 1 128 128 LEU N N 15 117.678 0.3 . 1 . . . . . 124 LEU N . 50395 2 219 . 1 . 1 129 129 VAL H H 1 7.455 0.020 . 1 . . . . . 125 VAL H . 50395 2 220 . 1 . 1 129 129 VAL N N 15 127.829 0.3 . 1 . . . . . 125 VAL N . 50395 2 221 . 1 . 1 130 130 SER H H 1 8.919 0.020 . 1 . . . . . 126 SER H . 50395 2 222 . 1 . 1 130 130 SER N N 15 118.505 0.3 . 1 . . . . . 126 SER N . 50395 2 223 . 1 . 1 131 131 ALA H H 1 7.141 0.020 . 1 . . . . . 127 ALA H . 50395 2 224 . 1 . 1 131 131 ALA N N 15 119.508 0.3 . 1 . . . . . 127 ALA N . 50395 2 225 . 1 . 1 132 132 GLY H H 1 7.803 0.020 . 1 . . . . . 128 GLY H . 50395 2 226 . 1 . 1 132 132 GLY N N 15 110.023 0.3 . 1 . . . . . 128 GLY N . 50395 2 227 . 1 . 1 134 134 PHE H H 1 8.337 0.020 . 1 . . . . . 130 PHE H . 50395 2 228 . 1 . 1 134 134 PHE N N 15 120.806 0.3 . 1 . . . . . 130 PHE N . 50395 2 229 . 1 . 1 135 135 GLY H H 1 7.803 0.020 . 1 . . . . . 131 GLY H . 50395 2 230 . 1 . 1 135 135 GLY N N 15 102.712 0.3 . 1 . . . . . 131 GLY N . 50395 2 231 . 1 . 1 136 136 VAL H H 1 8.355 0.020 . 1 . . . . . 132 VAL H . 50395 2 232 . 1 . 1 136 136 VAL N N 15 122.652 0.3 . 1 . . . . . 132 VAL N . 50395 2 233 . 1 . 1 137 137 LYS H H 1 8.648 0.020 . 1 . . . . . 133 LYS H . 50395 2 234 . 1 . 1 137 137 LYS N N 15 128.022 0.3 . 1 . . . . . 133 LYS N . 50395 2 235 . 1 . 1 139 139 ALA H H 1 8.675 0.020 . 1 . . . . . 135 ALA H . 50395 2 236 . 1 . 1 139 139 ALA N N 15 115.399 0.3 . 1 . . . . . 135 ALA N . 50395 2 237 . 1 . 1 140 140 VAL H H 1 7.282 0.020 . 1 . . . . . 136 VAL H . 50395 2 238 . 1 . 1 140 140 VAL N N 15 117.892 0.3 . 1 . . . . . 136 VAL N . 50395 2 239 . 1 . 1 141 141 SER H H 1 7.504 0.020 . 1 . . . . . 137 SER H . 50395 2 240 . 1 . 1 141 141 SER N N 15 111.464 0.3 . 1 . . . . . 137 SER N . 50395 2 241 . 1 . 1 142 142 PHE H H 1 8.894 0.020 . 1 . . . . . 138 PHE H . 50395 2 242 . 1 . 1 142 142 PHE N N 15 116.858 0.3 . 1 . . . . . 138 PHE N . 50395 2 243 . 1 . 1 143 143 ASP H H 1 7.738 0.020 . 1 . . . . . 139 ASP H . 50395 2 244 . 1 . 1 143 143 ASP N N 15 118.504 0.3 . 1 . . . . . 139 ASP N . 50395 2 245 . 1 . 1 144 144 TYR H H 1 7.752 0.020 . 1 . . . . . 140 TYR H . 50395 2 246 . 1 . 1 144 144 TYR N N 15 115.426 0.3 . 1 . . . . . 140 TYR N . 50395 2 247 . 1 . 1 145 145 LEU H H 1 7.312 0.020 . 1 . . . . . 141 LEU H . 50395 2 248 . 1 . 1 145 145 LEU N N 15 121.742 0.3 . 1 . . . . . 141 LEU N . 50395 2 249 . 1 . 1 146 146 ILE H H 1 8.159 0.020 . 1 . . . . . 142 ILE H . 50395 2 250 . 1 . 1 146 146 ILE N N 15 116.958 0.3 . 1 . . . . . 142 ILE N . 50395 2 251 . 1 . 1 147 147 ARG H H 1 7.338 0.020 . 1 . . . . . 143 ARG H . 50395 2 252 . 1 . 1 147 147 ARG N N 15 118.317 0.3 . 1 . . . . . 143 ARG N . 50395 2 253 . 1 . 1 148 148 GLU H H 1 7.487 0.020 . 1 . . . . . 144 GLU H . 50395 2 254 . 1 . 1 148 148 GLU N N 15 114.139 0.3 . 1 . . . . . 144 GLU N . 50395 2 255 . 1 . 1 149 149 ALA H H 1 8.387 0.020 . 1 . . . . . 145 ALA H . 50395 2 256 . 1 . 1 149 149 ALA N N 15 122.418 0.3 . 1 . . . . . 145 ALA N . 50395 2 257 . 1 . 1 150 150 LYS H H 1 9.145 0.020 . 1 . . . . . 146 LYS H . 50395 2 258 . 1 . 1 150 150 LYS N N 15 121.93 0.3 . 1 . . . . . 146 LYS N . 50395 2 259 . 1 . 1 151 151 THR H H 1 7.116 0.020 . 1 . . . . . 147 THR H . 50395 2 260 . 1 . 1 151 151 THR N N 15 115.646 0.3 . 1 . . . . . 147 THR N . 50395 2 261 . 1 . 1 152 152 ARG H H 1 7.471 0.020 . 1 . . . . . 148 ARG H . 50395 2 262 . 1 . 1 152 152 ARG N N 15 120.43 0.3 . 1 . . . . . 148 ARG N . 50395 2 263 . 1 . 1 153 153 VAL H H 1 8.724 0.020 . 1 . . . . . 149 VAL H . 50395 2 264 . 1 . 1 153 153 VAL N N 15 126.207 0.3 . 1 . . . . . 149 VAL N . 50395 2 265 . 1 . 1 154 154 LEU H H 1 9.259 0.020 . 1 . . . . . 150 LEU H . 50395 2 266 . 1 . 1 154 154 LEU N N 15 129.36 0.3 . 1 . . . . . 150 LEU N . 50395 2 267 . 1 . 1 155 155 VAL H H 1 9.045 0.020 . 1 . . . . . 151 VAL H . 50395 2 268 . 1 . 1 155 155 VAL N N 15 125.064 0.3 . 1 . . . . . 151 VAL N . 50395 2 269 . 1 . 1 156 156 VAL H H 1 9.031 0.020 . 1 . . . . . 152 VAL H . 50395 2 270 . 1 . 1 156 156 VAL N N 15 128.551 0.3 . 1 . . . . . 152 VAL N . 50395 2 271 . 1 . 1 157 157 VAL H H 1 9.112 0.020 . 1 . . . . . 153 VAL H . 50395 2 272 . 1 . 1 157 157 VAL N N 15 122.999 0.3 . 1 . . . . . 153 VAL N . 50395 2 273 . 1 . 1 158 158 ASN H H 1 8.247 0.020 . 1 . . . . . 154 ASN H . 50395 2 274 . 1 . 1 158 158 ASN N N 15 120.59 0.3 . 1 . . . . . 154 ASN N . 50395 2 275 . 1 . 1 159 159 SER H H 1 7.171 0.020 . 1 . . . . . 155 SER H . 50395 2 276 . 1 . 1 159 159 SER N N 15 113.348 0.3 . 1 . . . . . 155 SER N . 50395 2 277 . 1 . 1 161 161 ASP H H 1 8.235 0.020 . 1 . . . . . 157 ASP H . 50395 2 278 . 1 . 1 161 161 ASP N N 15 119.058 0.3 . 1 . . . . . 157 ASP N . 50395 2 279 . 1 . 1 162 162 VAL H H 1 7.523 0.020 . 1 . . . . . 158 VAL H . 50395 2 280 . 1 . 1 162 162 VAL N N 15 121.727 0.3 . 1 . . . . . 158 VAL N . 50395 2 281 . 1 . 1 163 163 TYR H H 1 8.27 0.020 . 1 . . . . . 159 TYR H . 50395 2 282 . 1 . 1 163 163 TYR N N 15 120.573 0.3 . 1 . . . . . 159 TYR N . 50395 2 283 . 1 . 1 164 164 LYS H H 1 8.692 0.020 . 1 . . . . . 160 LYS H . 50395 2 284 . 1 . 1 164 164 LYS N N 15 118.756 0.3 . 1 . . . . . 160 LYS N . 50395 2 285 . 1 . 1 165 165 SER H H 1 7.619 0.020 . 1 . . . . . 161 SER H . 50395 2 286 . 1 . 1 165 165 SER N N 15 113.432 0.3 . 1 . . . . . 161 SER N . 50395 2 287 . 1 . 1 166 166 LEU H H 1 7.276 0.020 . 1 . . . . . 162 LEU H . 50395 2 288 . 1 . 1 166 166 LEU N N 15 118.975 0.3 . 1 . . . . . 162 LEU N . 50395 2 289 . 1 . 1 167 167 THR H H 1 7.184 0.020 . 1 . . . . . 163 THR H . 50395 2 290 . 1 . 1 167 167 THR N N 15 106.457 0.3 . 1 . . . . . 163 THR N . 50395 2 291 . 1 . 1 168 168 ILE H H 1 7.108 0.020 . 1 . . . . . 164 ILE H . 50395 2 292 . 1 . 1 168 168 ILE N N 15 125.855 0.3 . 1 . . . . . 164 ILE N . 50395 2 stop_ save_