################################### # 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 50394 _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' . . . 50394 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 . . 50394 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 7.97 0.020 . 1 . . . . . 2 LEU H . 50394 1 2 . 1 . 1 6 6 LEU N N 15 116.141 0.3 . 1 . . . . . 2 LEU N . 50394 1 3 . 1 . 1 7 7 SER H H 1 7.747 0.020 . 1 . . . . . 3 SER H . 50394 1 4 . 1 . 1 7 7 SER N N 15 113.636 0.3 . 1 . . . . . 3 SER N . 50394 1 5 . 1 . 1 8 8 ASN H H 1 7.818 0.020 . 1 . . . . . 4 ASN H . 50394 1 6 . 1 . 1 8 8 ASN N N 15 116.669 0.3 . 1 . . . . . 4 ASN N . 50394 1 7 . 1 . 1 9 9 PHE H H 1 7.952 0.020 . 1 . . . . . 5 PHE H . 50394 1 8 . 1 . 1 9 9 PHE N N 15 117.806 0.3 . 1 . . . . . 5 PHE N . 50394 1 9 . 1 . 1 10 10 GLU H H 1 9.402 0.020 . 1 . . . . . 6 GLU H . 50394 1 10 . 1 . 1 10 10 GLU N N 15 128.922 0.3 . 1 . . . . . 6 GLU N . 50394 1 11 . 1 . 1 11 11 HIS H H 1 8.14 0.020 . 1 . . . . . 7 HIS H . 50394 1 12 . 1 . 1 11 11 HIS N N 15 121.621 0.3 . 1 . . . . . 7 HIS N . 50394 1 13 . 1 . 1 12 12 LYS H H 1 9.112 0.020 . 1 . . . . . 8 LYS H . 50394 1 14 . 1 . 1 12 12 LYS N N 15 118.934 0.3 . 1 . . . . . 8 LYS N . 50394 1 15 . 1 . 1 14 14 ILE H H 1 8.785 0.020 . 1 . . . . . 10 ILE H . 50394 1 16 . 1 . 1 14 14 ILE N N 15 129.973 0.3 . 1 . . . . . 10 ILE N . 50394 1 17 . 1 . 1 15 15 THR H H 1 8.395 0.020 . 1 . . . . . 11 THR H . 50394 1 18 . 1 . 1 15 15 THR N N 15 110.059 0.3 . 1 . . . . . 11 THR N . 50394 1 19 . 1 . 1 16 16 GLU H H 1 8.888 0.3 . 1 . . . . . 12 GLU H . 50394 1 20 . 1 . 1 16 16 GLU N N 15 116.48 0.3 . 1 . . . . . 12 GLU N . 50394 1 21 . 1 . 1 17 17 CYS H H 1 7.596 0.020 . 1 . . . . . 13 CYS H . 50394 1 22 . 1 . 1 17 17 CYS N N 15 112.926 0.3 . 1 . . . . . 13 CYS N . 50394 1 23 . 1 . 1 19 19 THR H H 1 8.392 0.020 . 1 . . . . . 15 THR H . 50394 1 24 . 1 . 1 19 19 THR N N 15 126.504 0.3 . 1 . . . . . 15 THR N . 50394 1 25 . 1 . 1 20 20 ILE H H 1 9.006 0.020 . 1 . . . . . 16 ILE H . 50394 1 26 . 1 . 1 20 20 ILE N N 15 126.172 0.3 . 1 . . . . . 16 ILE N . 50394 1 27 . 1 . 1 21 21 VAL H H 1 9.436 0.020 . 1 . . . . . 17 VAL H . 50394 1 28 . 1 . 1 21 21 VAL N N 15 127.855 0.3 . 1 . . . . . 17 VAL N . 50394 1 29 . 1 . 1 22 22 LEU H H 1 8.273 0.020 . 1 . . . . . 18 LEU H . 50394 1 30 . 1 . 1 22 22 LEU N N 15 129.689 0.3 . 1 . . . . . 18 LEU N . 50394 1 31 . 1 . 1 23 23 GLY H H 1 8.428 0.020 . 1 . . . . . 19 GLY H . 50394 1 32 . 1 . 1 23 23 GLY N N 15 113.244 0.3 . 1 . . . . . 19 GLY N . 50394 1 33 . 1 . 1 24 24 ASP H H 1 7.656 0.020 . 1 . . . . . 20 ASP H . 50394 1 34 . 1 . 1 24 24 ASP N N 15 119.148 0.3 . 1 . . . . . 20 ASP N . 50394 1 35 . 1 . 1 26 26 ILE H H 1 7.892 0.020 . 1 . . . . . 22 ILE H . 50394 1 36 . 1 . 1 26 26 ILE N N 15 115.792 0.3 . 1 . . . . . 22 ILE N . 50394 1 37 . 1 . 1 27 27 GLN H H 1 7.374 0.020 . 1 . . . . . 23 GLN H . 50394 1 38 . 1 . 1 27 27 GLN N N 15 119.264 0.3 . 1 . . . . . 23 GLN N . 50394 1 39 . 1 . 1 28 28 VAL H H 1 7.936 0.020 . 1 . . . . . 24 VAL H . 50394 1 40 . 1 . 1 28 28 VAL N N 15 119.613 0.3 . 1 . . . . . 24 VAL N . 50394 1 41 . 1 . 1 29 29 ALA H H 1 8.212 0.020 . 1 . . . . . 25 ALA H . 50394 1 42 . 1 . 1 29 29 ALA N N 15 120.145 0.3 . 1 . . . . . 25 ALA N . 50394 1 43 . 1 . 1 30 30 LYS H H 1 7.519 0.020 . 1 . . . . . 26 LYS H . 50394 1 44 . 1 . 1 30 30 LYS N N 15 115.988 0.3 . 1 . . . . . 26 LYS N . 50394 1 45 . 1 . 1 31 31 CYS H H 1 7.526 0.020 . 1 . . . . . 27 CYS H . 50394 1 46 . 1 . 1 31 31 CYS N N 15 115.049 0.3 . 1 . . . . . 27 CYS N . 50394 1 47 . 1 . 1 32 32 TYR H H 1 7.543 0.020 . 1 . . . . . 28 TYR H . 50394 1 48 . 1 . 1 32 32 TYR N N 15 117.867 0.3 . 1 . . . . . 28 TYR N . 50394 1 49 . 1 . 1 33 33 GLY H H 1 8.73 0.020 . 1 . . . . . 29 GLY H . 50394 1 50 . 1 . 1 33 33 GLY N N 15 113.122 0.3 . 1 . . . . . 29 GLY N . 50394 1 51 . 1 . 1 34 34 GLU H H 1 9.033 0.020 . 1 . . . . . 30 GLU H . 50394 1 52 . 1 . 1 34 34 GLU N N 15 117.561 0.3 . 1 . . . . . 30 GLU N . 50394 1 53 . 1 . 1 35 35 SER H H 1 7.911 0.020 . 1 . . . . . 31 SER H . 50394 1 54 . 1 . 1 35 35 SER N N 15 115.277 0.3 . 1 . . . . . 31 SER N . 50394 1 55 . 1 . 1 36 36 VAL H H 1 7.583 0.020 . 1 . . . . . 32 VAL H . 50394 1 56 . 1 . 1 36 36 VAL N N 15 119.569 0.3 . 1 . . . . . 32 VAL N . 50394 1 57 . 1 . 1 37 37 LEU H H 1 7.37 0.020 . 1 . . . . . 33 LEU H . 50394 1 58 . 1 . 1 37 37 LEU N N 15 128.719 0.3 . 1 . . . . . 33 LEU N . 50394 1 59 . 1 . 1 39 39 ASN H H 1 8.171 0.020 . 1 . . . . . 35 ASN H . 50394 1 60 . 1 . 1 39 39 ASN N N 15 118.938 0.3 . 1 . . . . . 35 ASN N . 50394 1 61 . 1 . 1 40 40 ALA H H 1 6.268 0.020 . 1 . . . . . 36 ALA H . 50394 1 62 . 1 . 1 40 40 ALA N N 15 131.107 0.3 . 1 . . . . . 36 ALA N . 50394 1 63 . 1 . 1 41 41 ALA H H 1 8.217 0.020 . 1 . . . . . 37 ALA H . 50394 1 64 . 1 . 1 41 41 ALA N N 15 128.535 0.3 . 1 . . . . . 37 ALA N . 50394 1 65 . 1 . 1 42 42 ASN H H 1 7.254 0.020 . 1 . . . . . 38 ASN H . 50394 1 66 . 1 . 1 42 42 ASN N N 15 112.653 0.3 . 1 . . . . . 38 ASN N . 50394 1 67 . 1 . 1 43 43 THR H H 1 8.162 0.020 . 1 . . . . . 39 THR H . 50394 1 68 . 1 . 1 43 43 THR N N 15 107.552 0.3 . 1 . . . . . 39 THR N . 50394 1 69 . 1 . 1 44 44 HIS H H 1 7.243 0.020 . 1 . . . . . 40 HIS H . 50394 1 70 . 1 . 1 44 44 HIS N N 15 115.194 0.3 . 1 . . . . . 40 HIS N . 50394 1 71 . 1 . 1 45 45 LEU H H 1 8.022 0.020 . 1 . . . . . 41 LEU H . 50394 1 72 . 1 . 1 45 45 LEU N N 15 114.965 0.3 . 1 . . . . . 41 LEU N . 50394 1 73 . 1 . 1 46 46 LYS H H 1 8.093 0.020 . 1 . . . . . 42 LYS H . 50394 1 74 . 1 . 1 46 46 LYS N N 15 115.9 0.3 . 1 . . . . . 42 LYS N . 50394 1 75 . 1 . 1 48 48 GLY H H 1 7.865 0.020 . 1 . . . . . 44 GLY H . 50394 1 76 . 1 . 1 48 48 GLY N N 15 109.895 0.3 . 1 . . . . . 44 GLY N . 50394 1 77 . 1 . 1 49 49 GLY H H 1 7.906 0.020 . 1 . . . . . 45 GLY H . 50394 1 78 . 1 . 1 49 49 GLY N N 15 108.139 0.3 . 1 . . . . . 45 GLY N . 50394 1 79 . 1 . 1 50 50 GLY H H 1 8.581 0.020 . 1 . . . . . 46 GLY H . 50394 1 80 . 1 . 1 50 50 GLY N N 15 108.372 0.3 . 1 . . . . . 46 GLY N . 50394 1 81 . 1 . 1 51 51 ILE H H 1 8.677 0.020 . 1 . . . . . 47 ILE H . 50394 1 82 . 1 . 1 51 51 ILE N N 15 126.137 0.3 . 1 . . . . . 47 ILE N . 50394 1 83 . 1 . 1 52 52 ALA H H 1 8.494 0.020 . 1 . . . . . 48 ALA H . 50394 1 84 . 1 . 1 52 52 ALA N N 15 127.028 0.3 . 1 . . . . . 48 ALA N . 50394 1 85 . 1 . 1 53 53 GLY H H 1 7.618 0.020 . 1 . . . . . 49 GLY H . 50394 1 86 . 1 . 1 53 53 GLY N N 15 105.498 0.3 . 1 . . . . . 49 GLY N . 50394 1 87 . 1 . 1 54 54 ALA H H 1 7.665 0.3 . 1 . . . . . 50 ALA H . 50394 1 88 . 1 . 1 54 54 ALA N N 15 126.902 0.3 . 1 . . . . . 50 ALA N . 50394 1 89 . 1 . 1 55 55 ILE H H 1 9.01 0.020 . 1 . . . . . 51 ILE H . 50394 1 90 . 1 . 1 55 55 ILE N N 15 122.801 0.3 . 1 . . . . . 51 ILE N . 50394 1 91 . 1 . 1 56 56 ASN H H 1 8.444 0.020 . 1 . . . . . 52 ASN H . 50394 1 92 . 1 . 1 56 56 ASN N N 15 117.269 0.3 . 1 . . . . . 52 ASN N . 50394 1 93 . 1 . 1 57 57 ALA H H 1 8.683 0.020 . 1 . . . . . 53 ALA H . 50394 1 94 . 1 . 1 57 57 ALA N N 15 124.153 0.3 . 1 . . . . . 53 ALA N . 50394 1 95 . 1 . 1 58 58 ALA H H 1 8.264 0.020 . 1 . . . . . 54 ALA H . 50394 1 96 . 1 . 1 58 58 ALA N N 15 123.126 0.3 . 1 . . . . . 54 ALA N . 50394 1 97 . 1 . 1 59 59 SER H H 1 7.746 0.020 . 1 . . . . . 55 SER H . 50394 1 98 . 1 . 1 59 59 SER N N 15 111.579 0.3 . 1 . . . . . 55 SER N . 50394 1 99 . 1 . 1 60 60 LYS H H 1 8.392 0.020 . 1 . . . . . 56 LYS H . 50394 1 100 . 1 . 1 60 60 LYS N N 15 121.76 0.3 . 1 . . . . . 56 LYS N . 50394 1 101 . 1 . 1 61 61 GLY H H 1 7.742 0.020 . 1 . . . . . 57 GLY H . 50394 1 102 . 1 . 1 61 61 GLY N N 15 103.971 0.3 . 1 . . . . . 57 GLY N . 50394 1 103 . 1 . 1 62 62 ALA H H 1 7.662 0.020 . 1 . . . . . 58 ALA H . 50394 1 104 . 1 . 1 62 62 ALA N N 15 125.858 0.3 . 1 . . . . . 58 ALA N . 50394 1 105 . 1 . 1 63 63 VAL H H 1 8.067 0.020 . 1 . . . . . 59 VAL H . 50394 1 106 . 1 . 1 63 63 VAL N N 15 117.702 0.3 . 1 . . . . . 59 VAL N . 50394 1 107 . 1 . 1 64 64 GLN H H 1 8.106 0.020 . 1 . . . . . 60 GLN H . 50394 1 108 . 1 . 1 64 64 GLN N N 15 123.391 0.3 . 1 . . . . . 60 GLN N . 50394 1 109 . 1 . 1 66 66 GLU H H 1 7.812 0.020 . 1 . . . . . 62 GLU H . 50394 1 110 . 1 . 1 66 66 GLU N N 15 119.362 0.3 . 1 . . . . . 62 GLU N . 50394 1 111 . 1 . 1 67 67 SER H H 1 8.295 0.020 . 1 . . . . . 63 SER H . 50394 1 112 . 1 . 1 67 67 SER N N 15 117.364 0.3 . 1 . . . . . 63 SER N . 50394 1 113 . 1 . 1 68 68 ASP H H 1 8.782 0.020 . 1 . . . . . 64 ASP H . 50394 1 114 . 1 . 1 68 68 ASP N N 15 123.032 0.3 . 1 . . . . . 64 ASP N . 50394 1 115 . 1 . 1 70 70 TYR H H 1 8.04 0.3 . 1 . . . . . 66 TYR H . 50394 1 116 . 1 . 1 70 70 TYR N N 15 122.926 0.3 . 1 . . . . . 66 TYR N . 50394 1 117 . 1 . 1 71 71 ILE H H 1 8.512 0.020 . 1 . . . . . 67 ILE H . 50394 1 118 . 1 . 1 71 71 ILE N N 15 120.207 0.3 . 1 . . . . . 67 ILE N . 50394 1 119 . 1 . 1 72 72 LEU H H 1 7.827 0.020 . 1 . . . . . 68 LEU H . 50394 1 120 . 1 . 1 72 72 LEU N N 15 121.278 0.3 . 1 . . . . . 68 LEU N . 50394 1 121 . 1 . 1 73 73 ALA H H 1 7.231 0.020 . 1 . . . . . 69 ALA H . 50394 1 122 . 1 . 1 73 73 ALA N N 15 118.82 0.3 . 1 . . . . . 69 ALA N . 50394 1 123 . 1 . 1 74 74 LYS H H 1 8.361 0.020 . 1 . . . . . 70 LYS H . 50394 1 124 . 1 . 1 74 74 LYS N N 15 115.627 0.3 . 1 . . . . . 70 LYS N . 50394 1 125 . 1 . 1 75 75 GLY H H 1 8.032 0.020 . 1 . . . . . 71 GLY H . 50394 1 126 . 1 . 1 75 75 GLY N N 15 110.675 0.3 . 1 . . . . . 71 GLY N . 50394 1 127 . 1 . 1 77 77 LEU H H 1 8.378 0.020 . 1 . . . . . 73 LEU H . 50394 1 128 . 1 . 1 77 77 LEU N N 15 122.956 0.3 . 1 . . . . . 73 LEU N . 50394 1 129 . 1 . 1 78 78 GLN H H 1 8.365 0.020 . 1 . . . . . 74 GLN H . 50394 1 130 . 1 . 1 78 78 GLN N N 15 116.917 0.3 . 1 . . . . . 74 GLN N . 50394 1 131 . 1 . 1 79 79 VAL H H 1 8.196 0.020 . 1 . . . . . 75 VAL H . 50394 1 132 . 1 . 1 79 79 VAL N N 15 120.649 0.3 . 1 . . . . . 75 VAL N . 50394 1 133 . 1 . 1 80 80 GLY H H 1 9.119 0.020 . 1 . . . . . 76 GLY H . 50394 1 134 . 1 . 1 80 80 GLY N N 15 118.318 0.3 . 1 . . . . . 76 GLY N . 50394 1 135 . 1 . 1 81 81 ASP H H 1 7.871 0.020 . 1 . . . . . 77 ASP H . 50394 1 136 . 1 . 1 81 81 ASP N N 15 119.676 0.3 . 1 . . . . . 77 ASP N . 50394 1 137 . 1 . 1 82 82 SER H H 1 7.826 0.020 . 1 . . . . . 78 SER H . 50394 1 138 . 1 . 1 82 82 SER N N 15 108.087 0.3 . 1 . . . . . 78 SER N . 50394 1 139 . 1 . 1 83 83 VAL H H 1 8.623 0.020 . 1 . . . . . 79 VAL H . 50394 1 140 . 1 . 1 83 83 VAL N N 15 117.226 0.3 . 1 . . . . . 79 VAL N . 50394 1 141 . 1 . 1 84 84 LEU H H 1 8.54 0.020 . 1 . . . . . 80 LEU H . 50394 1 142 . 1 . 1 84 84 LEU N N 15 131.948 0.3 . 1 . . . . . 80 LEU N . 50394 1 143 . 1 . 1 85 85 LEU H H 1 9.135 0.020 . 1 . . . . . 81 LEU H . 50394 1 144 . 1 . 1 85 85 LEU N N 15 131.063 0.3 . 1 . . . . . 81 LEU N . 50394 1 145 . 1 . 1 86 86 GLN H H 1 9.818 0.020 . 1 . . . . . 82 GLN H . 50394 1 146 . 1 . 1 86 86 GLN N N 15 121.371 0.3 . 1 . . . . . 82 GLN N . 50394 1 147 . 1 . 1 87 87 GLY H H 1 8.528 0.020 . 1 . . . . . 83 GLY H . 50394 1 148 . 1 . 1 87 87 GLY N N 15 104.487 0.3 . 1 . . . . . 83 GLY N . 50394 1 149 . 1 . 1 88 88 HIS H H 1 7.648 0.020 . 1 . . . . . 84 HIS H . 50394 1 150 . 1 . 1 88 88 HIS N N 15 114.032 0.3 . 1 . . . . . 84 HIS N . 50394 1 151 . 1 . 1 89 89 SER H H 1 8.577 0.020 . 1 . . . . . 85 SER H . 50394 1 152 . 1 . 1 89 89 SER N N 15 108.728 0.3 . 1 . . . . . 85 SER N . 50394 1 153 . 1 . 1 90 90 LEU H H 1 8.42 0.020 . 1 . . . . . 86 LEU H . 50394 1 154 . 1 . 1 90 90 LEU N N 15 122.637 0.3 . 1 . . . . . 86 LEU N . 50394 1 155 . 1 . 1 91 91 ALA H H 1 7.222 0.020 . 1 . . . . . 87 ALA H . 50394 1 156 . 1 . 1 91 91 ALA N N 15 115.967 0.3 . 1 . . . . . 87 ALA N . 50394 1 157 . 1 . 1 92 92 LYS H H 1 8.771 0.020 . 1 . . . . . 88 LYS H . 50394 1 158 . 1 . 1 92 92 LYS N N 15 122.352 0.3 . 1 . . . . . 88 LYS N . 50394 1 159 . 1 . 1 93 93 ASN H H 1 7.347 0.020 . 1 . . . . . 89 ASN H . 50394 1 160 . 1 . 1 93 93 ASN N N 15 108.286 0.3 . 1 . . . . . 89 ASN N . 50394 1 161 . 1 . 1 94 94 ILE H H 1 7.001 0.020 . 1 . . . . . 90 ILE H . 50394 1 162 . 1 . 1 94 94 ILE N N 15 119.539 0.3 . 1 . . . . . 90 ILE N . 50394 1 163 . 1 . 1 95 95 LEU H H 1 8.535 0.020 . 1 . . . . . 91 LEU H . 50394 1 164 . 1 . 1 95 95 LEU N N 15 129.757 0.3 . 1 . . . . . 91 LEU N . 50394 1 165 . 1 . 1 96 96 HIS H H 1 9.099 0.020 . 1 . . . . . 92 HIS H . 50394 1 166 . 1 . 1 96 96 HIS N N 15 130.036 0.3 . 1 . . . . . 92 HIS N . 50394 1 167 . 1 . 1 97 97 VAL H H 1 8.539 0.020 . 1 . . . . . 93 VAL H . 50394 1 168 . 1 . 1 97 97 VAL N N 15 121.243 0.3 . 1 . . . . . 93 VAL N . 50394 1 169 . 1 . 1 98 98 VAL H H 1 8.107 0.020 . 1 . . . . . 94 VAL H . 50394 1 170 . 1 . 1 98 98 VAL N N 15 126.751 0.3 . 1 . . . . . 94 VAL N . 50394 1 171 . 1 . 1 99 99 GLY H H 1 8.861 0.020 . 1 . . . . . 95 GLY H . 50394 1 172 . 1 . 1 99 99 GLY N N 15 114.549 0.3 . 1 . . . . . 95 GLY N . 50394 1 173 . 1 . 1 101 101 ASP H H 1 8.639 0.020 . 1 . . . . . 97 ASP H . 50394 1 174 . 1 . 1 101 101 ASP N N 15 120.776 0.3 . 1 . . . . . 97 ASP N . 50394 1 175 . 1 . 1 102 102 ALA H H 1 9.355 0.020 . 1 . . . . . 98 ALA H . 50394 1 176 . 1 . 1 102 102 ALA N N 15 130.177 0.3 . 1 . . . . . 98 ALA N . 50394 1 177 . 1 . 1 103 103 ARG H H 1 8.394 0.020 . 1 . . . . . 99 ARG H . 50394 1 178 . 1 . 1 103 103 ARG N N 15 119.383 0.3 . 1 . . . . . 99 ARG N . 50394 1 179 . 1 . 1 104 104 ALA H H 1 6.682 0.020 . 1 . . . . . 100 ALA H . 50394 1 180 . 1 . 1 104 104 ALA N N 15 118.746 0.3 . 1 . . . . . 100 ALA N . 50394 1 181 . 1 . 1 105 105 LYS H H 1 7.682 0.020 . 1 . . . . . 101 LYS H . 50394 1 182 . 1 . 1 105 105 LYS N N 15 113.386 0.3 . 1 . . . . . 101 LYS N . 50394 1 183 . 1 . 1 108 108 VAL H H 1 8.294 0.020 . 1 . . . . . 104 VAL H . 50394 1 184 . 1 . 1 108 108 VAL N N 15 127.949 0.3 . 1 . . . . . 104 VAL N . 50394 1 185 . 1 . 1 109 109 SER H H 1 8.309 0.020 . 1 . . . . . 105 SER H . 50394 1 186 . 1 . 1 109 109 SER N N 15 114.374 0.3 . 1 . . . . . 105 SER N . 50394 1 187 . 1 . 1 110 110 LEU H H 1 7.752 0.020 . 1 . . . . . 106 LEU H . 50394 1 188 . 1 . 1 110 110 LEU N N 15 124.445 0.3 . 1 . . . . . 106 LEU N . 50394 1 189 . 1 . 1 111 111 LEU H H 1 8.21 0.020 . 1 . . . . . 107 LEU H . 50394 1 190 . 1 . 1 111 111 LEU N N 15 119.771 0.3 . 1 . . . . . 107 LEU N . 50394 1 191 . 1 . 1 112 112 SER H H 1 7.61 0.020 . 1 . . . . . 108 SER H . 50394 1 192 . 1 . 1 112 112 SER N N 15 113.661 0.3 . 1 . . . . . 108 SER N . 50394 1 193 . 1 . 1 113 113 LYS H H 1 6.866 0.020 . 1 . . . . . 109 LYS H . 50394 1 194 . 1 . 1 113 113 LYS N N 15 120.047 0.3 . 1 . . . . . 109 LYS N . 50394 1 195 . 1 . 1 114 114 CYS H H 1 7.327 0.020 . 1 . . . . . 110 CYS H . 50394 1 196 . 1 . 1 114 114 CYS N N 15 117.566 0.3 . 1 . . . . . 110 CYS N . 50394 1 197 . 1 . 1 115 115 TYR H H 1 7.756 0.020 . 1 . . . . . 111 TYR H . 50394 1 198 . 1 . 1 115 115 TYR N N 15 113.011 0.3 . 1 . . . . . 111 TYR N . 50394 1 199 . 1 . 1 116 116 LYS H H 1 8.431 0.020 . 1 . . . . . 112 LYS H . 50394 1 200 . 1 . 1 116 116 LYS N N 15 119.816 0.3 . 1 . . . . . 112 LYS N . 50394 1 201 . 1 . 1 117 117 ALA H H 1 7.114 0.020 . 1 . . . . . 113 ALA H . 50394 1 202 . 1 . 1 117 117 ALA N N 15 119.445 0.3 . 1 . . . . . 113 ALA N . 50394 1 203 . 1 . 1 118 118 MET H H 1 7.33 0.020 . 1 . . . . . 114 MET H . 50394 1 204 . 1 . 1 118 118 MET N N 15 113.746 0.3 . 1 . . . . . 114 MET N . 50394 1 205 . 1 . 1 119 119 ASN H H 1 7.035 0.020 . 1 . . . . . 115 ASN H . 50394 1 206 . 1 . 1 119 119 ASN N N 15 110.921 0.3 . 1 . . . . . 115 ASN N . 50394 1 207 . 1 . 1 120 120 ALA H H 1 6.439 0.020 . 1 . . . . . 116 ALA H . 50394 1 208 . 1 . 1 120 120 ALA N N 15 119.904 0.3 . 1 . . . . . 116 ALA N . 50394 1 209 . 1 . 1 121 121 TYR H H 1 7.031 0.020 . 1 . . . . . 117 TYR H . 50394 1 210 . 1 . 1 121 121 TYR N N 15 118.949 0.3 . 1 . . . . . 117 TYR N . 50394 1 211 . 1 . 1 123 123 LEU H H 1 7.357 0.020 . 1 . . . . . 119 LEU H . 50394 1 212 . 1 . 1 123 123 LEU N N 15 118.175 0.3 . 1 . . . . . 119 LEU N . 50394 1 213 . 1 . 1 124 124 VAL H H 1 8.84 0.020 . 1 . . . . . 120 VAL H . 50394 1 214 . 1 . 1 124 124 VAL N N 15 130.244 0.3 . 1 . . . . . 120 VAL N . 50394 1 215 . 1 . 1 125 125 VAL H H 1 8.831 0.020 . 1 . . . . . 121 VAL H . 50394 1 216 . 1 . 1 125 125 VAL N N 15 127.732 0.3 . 1 . . . . . 121 VAL N . 50394 1 217 . 1 . 1 126 126 THR H H 1 9.042 0.020 . 1 . . . . . 122 THR H . 50394 1 218 . 1 . 1 126 126 THR N N 15 121.273 0.3 . 1 . . . . . 122 THR N . 50394 1 219 . 1 . 1 128 128 LEU H H 1 8.651 0.020 . 1 . . . . . 124 LEU H . 50394 1 220 . 1 . 1 128 128 LEU N N 15 117.511 0.3 . 1 . . . . . 124 LEU N . 50394 1 221 . 1 . 1 129 129 VAL H H 1 7.615 0.020 . 1 . . . . . 125 VAL H . 50394 1 222 . 1 . 1 129 129 VAL N N 15 129.395 0.3 . 1 . . . . . 125 VAL N . 50394 1 223 . 1 . 1 130 130 SER H H 1 8.876 0.020 . 1 . . . . . 126 SER H . 50394 1 224 . 1 . 1 130 130 SER N N 15 117.907 0.3 . 1 . . . . . 126 SER N . 50394 1 225 . 1 . 1 131 131 ALA H H 1 7.034 0.020 . 1 . . . . . 127 ALA H . 50394 1 226 . 1 . 1 131 131 ALA N N 15 120.018 0.3 . 1 . . . . . 127 ALA N . 50394 1 227 . 1 . 1 132 132 GLY H H 1 8.581 0.020 . 1 . . . . . 128 GLY H . 50394 1 228 . 1 . 1 132 132 GLY N N 15 111.791 0.3 . 1 . . . . . 128 GLY N . 50394 1 229 . 1 . 1 133 133 ILE H H 1 8.631 0.020 . 1 . . . . . 129 ILE H . 50394 1 230 . 1 . 1 133 133 ILE N N 15 129.459 0.3 . 1 . . . . . 129 ILE N . 50394 1 231 . 1 . 1 134 134 PHE H H 1 7.741 0.020 . 1 . . . . . 130 PHE H . 50394 1 232 . 1 . 1 134 134 PHE N N 15 118.998 0.3 . 1 . . . . . 130 PHE N . 50394 1 233 . 1 . 1 135 135 GLY H H 1 7.782 0.020 . 1 . . . . . 131 GLY H . 50394 1 234 . 1 . 1 135 135 GLY N N 15 102.44 0.3 . 1 . . . . . 131 GLY N . 50394 1 235 . 1 . 1 136 136 VAL H H 1 8.413 0.020 . 1 . . . . . 132 VAL H . 50394 1 236 . 1 . 1 136 136 VAL N N 15 123.599 0.3 . 1 . . . . . 132 VAL N . 50394 1 237 . 1 . 1 137 137 LYS H H 1 8.744 0.020 . 1 . . . . . 133 LYS H . 50394 1 238 . 1 . 1 137 137 LYS N N 15 129.039 0.3 . 1 . . . . . 133 LYS N . 50394 1 239 . 1 . 1 139 139 ALA H H 1 8.642 0.020 . 1 . . . . . 135 ALA H . 50394 1 240 . 1 . 1 139 139 ALA N N 15 115.534 0.3 . 1 . . . . . 135 ALA N . 50394 1 241 . 1 . 1 140 140 VAL H H 1 7.158 0.020 . 1 . . . . . 136 VAL H . 50394 1 242 . 1 . 1 140 140 VAL N N 15 118.117 0.3 . 1 . . . . . 136 VAL N . 50394 1 243 . 1 . 1 141 141 SER H H 1 7.412 0.020 . 1 . . . . . 137 SER H . 50394 1 244 . 1 . 1 141 141 SER N N 15 111.715 0.3 . 1 . . . . . 137 SER N . 50394 1 245 . 1 . 1 142 142 PHE H H 1 8.863 0.020 . 1 . . . . . 138 PHE H . 50394 1 246 . 1 . 1 142 142 PHE N N 15 117.048 0.3 . 1 . . . . . 138 PHE N . 50394 1 247 . 1 . 1 143 143 ASP H H 1 7.62 0.020 . 1 . . . . . 139 ASP H . 50394 1 248 . 1 . 1 143 143 ASP N N 15 118.356 0.3 . 1 . . . . . 139 ASP N . 50394 1 249 . 1 . 1 144 144 TYR H H 1 7.608 0.020 . 1 . . . . . 140 TYR H . 50394 1 250 . 1 . 1 144 144 TYR N N 15 115.341 0.3 . 1 . . . . . 140 TYR N . 50394 1 251 . 1 . 1 145 145 LEU H H 1 7.199 0.020 . 1 . . . . . 141 LEU H . 50394 1 252 . 1 . 1 145 145 LEU N N 15 121.461 0.3 . 1 . . . . . 141 LEU N . 50394 1 253 . 1 . 1 146 146 ILE H H 1 8.077 0.020 . 1 . . . . . 142 ILE H . 50394 1 254 . 1 . 1 146 146 ILE N N 15 117.019 0.3 . 1 . . . . . 142 ILE N . 50394 1 255 . 1 . 1 147 147 ARG H H 1 7.535 0.020 . 1 . . . . . 143 ARG H . 50394 1 256 . 1 . 1 147 147 ARG N N 15 118.186 0.3 . 1 . . . . . 143 ARG N . 50394 1 257 . 1 . 1 148 148 GLU H H 1 7.432 0.020 . 1 . . . . . 144 GLU H . 50394 1 258 . 1 . 1 148 148 GLU N N 15 113.936 0.3 . 1 . . . . . 144 GLU N . 50394 1 259 . 1 . 1 149 149 ALA H H 1 8.288 0.020 . 1 . . . . . 145 ALA H . 50394 1 260 . 1 . 1 149 149 ALA N N 15 122.153 0.3 . 1 . . . . . 145 ALA N . 50394 1 261 . 1 . 1 150 150 LYS H H 1 9.093 0.020 . 1 . . . . . 146 LYS H . 50394 1 262 . 1 . 1 150 150 LYS N N 15 122.576 0.3 . 1 . . . . . 146 LYS N . 50394 1 263 . 1 . 1 151 151 THR H H 1 7.066 0.020 . 1 . . . . . 147 THR H . 50394 1 264 . 1 . 1 151 151 THR N N 15 115.783 0.3 . 1 . . . . . 147 THR N . 50394 1 265 . 1 . 1 152 152 ARG H H 1 7.363 0.020 . 1 . . . . . 148 ARG H . 50394 1 266 . 1 . 1 152 152 ARG N N 15 120.194 0.3 . 1 . . . . . 148 ARG N . 50394 1 267 . 1 . 1 153 153 VAL H H 1 8.719 0.020 . 1 . . . . . 149 VAL H . 50394 1 268 . 1 . 1 153 153 VAL N N 15 126.226 0.3 . 1 . . . . . 149 VAL N . 50394 1 269 . 1 . 1 154 154 LEU H H 1 9.185 0.020 . 1 . . . . . 150 LEU H . 50394 1 270 . 1 . 1 154 154 LEU N N 15 129.217 0.3 . 1 . . . . . 150 LEU N . 50394 1 271 . 1 . 1 155 155 VAL H H 1 8.966 0.020 . 1 . . . . . 151 VAL H . 50394 1 272 . 1 . 1 155 155 VAL N N 15 124.798 0.3 . 1 . . . . . 151 VAL N . 50394 1 273 . 1 . 1 156 156 VAL H H 1 8.882 0.020 . 1 . . . . . 152 VAL H . 50394 1 274 . 1 . 1 156 156 VAL N N 15 127.896 0.3 . 1 . . . . . 152 VAL N . 50394 1 275 . 1 . 1 157 157 VAL H H 1 9.062 0.020 . 1 . . . . . 153 VAL H . 50394 1 276 . 1 . 1 157 157 VAL N N 15 122.812 0.3 . 1 . . . . . 153 VAL N . 50394 1 277 . 1 . 1 158 158 ASN H H 1 8.547 0.020 . 1 . . . . . 154 ASN H . 50394 1 278 . 1 . 1 158 158 ASN N N 15 119.489 0.3 . 1 . . . . . 154 ASN N . 50394 1 279 . 1 . 1 159 159 SER H H 1 7.117 0.020 . 1 . . . . . 155 SER H . 50394 1 280 . 1 . 1 159 159 SER N N 15 112.487 0.3 . 1 . . . . . 155 SER N . 50394 1 281 . 1 . 1 160 160 GLN H H 1 9.274 0.020 . 1 . . . . . 156 GLN H . 50394 1 282 . 1 . 1 160 160 GLN N N 15 129.69 0.3 . 1 . . . . . 156 GLN N . 50394 1 283 . 1 . 1 161 161 ASP H H 1 8.294 0.020 . 1 . . . . . 157 ASP H . 50394 1 284 . 1 . 1 161 161 ASP N N 15 118.871 0.3 . 1 . . . . . 157 ASP N . 50394 1 285 . 1 . 1 162 162 VAL H H 1 7.467 0.020 . 1 . . . . . 158 VAL H . 50394 1 286 . 1 . 1 162 162 VAL N N 15 121.699 0.3 . 1 . . . . . 158 VAL N . 50394 1 287 . 1 . 1 163 163 TYR H H 1 8.239 0.020 . 1 . . . . . 159 TYR H . 50394 1 288 . 1 . 1 163 163 TYR N N 15 120.516 0.3 . 1 . . . . . 159 TYR N . 50394 1 289 . 1 . 1 164 164 LYS H H 1 8.663 0.020 . 1 . . . . . 160 LYS H . 50394 1 290 . 1 . 1 164 164 LYS N N 15 118.74 0.3 . 1 . . . . . 160 LYS N . 50394 1 291 . 1 . 1 165 165 SER H H 1 7.526 0.020 . 1 . . . . . 161 SER H . 50394 1 292 . 1 . 1 165 165 SER N N 15 113.381 0.3 . 1 . . . . . 161 SER N . 50394 1 293 . 1 . 1 166 166 LEU H H 1 7.155 0.020 . 1 . . . . . 162 LEU H . 50394 1 294 . 1 . 1 166 166 LEU N N 15 119.084 0.3 . 1 . . . . . 162 LEU N . 50394 1 295 . 1 . 1 167 167 THR H H 1 7.102 0.020 . 1 . . . . . 163 THR H . 50394 1 296 . 1 . 1 167 167 THR N N 15 106.634 0.3 . 1 . . . . . 163 THR N . 50394 1 297 . 1 . 1 168 168 ILE H H 1 7.037 0.020 . 1 . . . . . 164 ILE H . 50394 1 298 . 1 . 1 168 168 ILE N N 15 125.721 0.3 . 1 . . . . . 164 ILE N . 50394 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 50394 _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' . . . 50394 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 . . 50394 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 7.967 0.020 . 1 . . . . . 2 LEU H . 50394 2 2 . 1 . 1 6 6 LEU N N 15 116.538 0.3 . 1 . . . . . 2 LEU N . 50394 2 3 . 1 . 1 7 7 SER H H 1 7.841 0.020 . 1 . . . . . 3 SER H . 50394 2 4 . 1 . 1 7 7 SER N N 15 112.918 0.3 . 1 . . . . . 3 SER N . 50394 2 5 . 1 . 1 8 8 ASN H H 1 7.865 0.020 . 1 . . . . . 4 ASN H . 50394 2 6 . 1 . 1 8 8 ASN N N 15 116.821 0.3 . 1 . . . . . 4 ASN N . 50394 2 7 . 1 . 1 9 9 PHE H H 1 8.017 0.020 . 1 . . . . . 5 PHE H . 50394 2 8 . 1 . 1 9 9 PHE N N 15 117.853 0.3 . 1 . . . . . 5 PHE N . 50394 2 9 . 1 . 1 10 10 GLU H H 1 9.492 0.020 . 1 . . . . . 6 GLU H . 50394 2 10 . 1 . 1 10 10 GLU N N 15 128.914 0.3 . 1 . . . . . 6 GLU N . 50394 2 11 . 1 . 1 11 11 HIS H H 1 8.172 0.020 . 1 . . . . . 7 HIS H . 50394 2 12 . 1 . 1 11 11 HIS N N 15 121.555 0.3 . 1 . . . . . 7 HIS N . 50394 2 13 . 1 . 1 12 12 LYS H H 1 9.227 0.020 . 1 . . . . . 8 LYS H . 50394 2 14 . 1 . 1 12 12 LYS N N 15 119.242 0.3 . 1 . . . . . 8 LYS N . 50394 2 15 . 1 . 1 13 13 VAL H H 1 8.945 0.020 . 1 . . . . . 9 VAL H . 50394 2 16 . 1 . 1 13 13 VAL N N 15 129.273 0.3 . 1 . . . . . 9 VAL N . 50394 2 17 . 1 . 1 14 14 ILE H H 1 8.832 0.020 . 1 . . . . . 10 ILE H . 50394 2 18 . 1 . 1 14 14 ILE N N 15 129.867 0.3 . 1 . . . . . 10 ILE N . 50394 2 19 . 1 . 1 15 15 THR H H 1 8.477 0.020 . 1 . . . . . 11 THR H . 50394 2 20 . 1 . 1 15 15 THR N N 15 110.162 0.3 . 1 . . . . . 11 THR N . 50394 2 21 . 1 . 1 16 16 GLU H H 1 8.959 0.3 . 1 . . . . . 12 GLU H . 50394 2 22 . 1 . 1 16 16 GLU N N 15 116.674 0.3 . 1 . . . . . 12 GLU N . 50394 2 23 . 1 . 1 17 17 CYS H H 1 7.673 0.020 . 1 . . . . . 13 CYS H . 50394 2 24 . 1 . 1 17 17 CYS N N 15 112.755 0.3 . 1 . . . . . 13 CYS N . 50394 2 25 . 1 . 1 18 18 VAL H H 1 7.455 0.020 . 1 . . . . . 14 VAL H . 50394 2 26 . 1 . 1 18 18 VAL N N 15 119.478 0.3 . 1 . . . . . 14 VAL N . 50394 2 27 . 1 . 1 19 19 THR H H 1 8.484 0.020 . 1 . . . . . 15 THR H . 50394 2 28 . 1 . 1 19 19 THR N N 15 127.103 0.3 . 1 . . . . . 15 THR N . 50394 2 29 . 1 . 1 20 20 ILE H H 1 9.139 0.020 . 1 . . . . . 16 ILE H . 50394 2 30 . 1 . 1 20 20 ILE N N 15 126.576 0.3 . 1 . . . . . 16 ILE N . 50394 2 31 . 1 . 1 21 21 VAL H H 1 9.513 0.020 . 1 . . . . . 17 VAL H . 50394 2 32 . 1 . 1 21 21 VAL N N 15 128.127 0.3 . 1 . . . . . 17 VAL N . 50394 2 33 . 1 . 1 22 22 LEU H H 1 8.34 0.020 . 1 . . . . . 18 LEU H . 50394 2 34 . 1 . 1 22 22 LEU N N 15 129.685 0.3 . 1 . . . . . 18 LEU N . 50394 2 35 . 1 . 1 23 23 GLY H H 1 8.604 0.020 . 1 . . . . . 19 GLY H . 50394 2 36 . 1 . 1 23 23 GLY N N 15 114.102 0.3 . 1 . . . . . 19 GLY N . 50394 2 37 . 1 . 1 24 24 ASP H H 1 7.673 0.020 . 1 . . . . . 20 ASP H . 50394 2 38 . 1 . 1 24 24 ASP N N 15 117.838 0.3 . 1 . . . . . 20 ASP N . 50394 2 39 . 1 . 1 26 26 ILE H H 1 8.33 0.020 . 1 . . . . . 22 ILE H . 50394 2 40 . 1 . 1 26 26 ILE N N 15 115.735 0.3 . 1 . . . . . 22 ILE N . 50394 2 41 . 1 . 1 27 27 GLN H H 1 7.234 0.020 . 1 . . . . . 23 GLN H . 50394 2 42 . 1 . 1 27 27 GLN N N 15 118.526 0.3 . 1 . . . . . 23 GLN N . 50394 2 43 . 1 . 1 28 28 VAL H H 1 7.99 0.020 . 1 . . . . . 24 VAL H . 50394 2 44 . 1 . 1 28 28 VAL N N 15 119.621 0.3 . 1 . . . . . 24 VAL N . 50394 2 45 . 1 . 1 29 29 ALA H H 1 8.307 0.020 . 1 . . . . . 25 ALA H . 50394 2 46 . 1 . 1 29 29 ALA N N 15 120.763 0.3 . 1 . . . . . 25 ALA N . 50394 2 47 . 1 . 1 30 30 LYS H H 1 7.535 0.020 . 1 . . . . . 26 LYS H . 50394 2 48 . 1 . 1 30 30 LYS N N 15 115.785 0.3 . 1 . . . . . 26 LYS N . 50394 2 49 . 1 . 1 31 31 CYS H H 1 7.634 0.020 . 1 . . . . . 27 CYS H . 50394 2 50 . 1 . 1 31 31 CYS N N 15 115.17 0.3 . 1 . . . . . 27 CYS N . 50394 2 51 . 1 . 1 32 32 TYR H H 1 7.624 0.020 . 1 . . . . . 28 TYR H . 50394 2 52 . 1 . 1 32 32 TYR N N 15 118.242 0.3 . 1 . . . . . 28 TYR N . 50394 2 53 . 1 . 1 33 33 GLY H H 1 8.728 0.020 . 1 . . . . . 29 GLY H . 50394 2 54 . 1 . 1 33 33 GLY N N 15 112.881 0.3 . 1 . . . . . 29 GLY N . 50394 2 55 . 1 . 1 34 34 GLU H H 1 9.019 0.020 . 1 . . . . . 30 GLU H . 50394 2 56 . 1 . 1 34 34 GLU N N 15 117.628 0.3 . 1 . . . . . 30 GLU N . 50394 2 57 . 1 . 1 35 35 SER H H 1 8.018 0.020 . 1 . . . . . 31 SER H . 50394 2 58 . 1 . 1 35 35 SER N N 15 115.338 0.3 . 1 . . . . . 31 SER N . 50394 2 59 . 1 . 1 36 36 VAL H H 1 7.718 0.020 . 1 . . . . . 32 VAL H . 50394 2 60 . 1 . 1 36 36 VAL N N 15 118.496 0.3 . 1 . . . . . 32 VAL N . 50394 2 61 . 1 . 1 37 37 LEU H H 1 7.472 0.020 . 1 . . . . . 33 LEU H . 50394 2 62 . 1 . 1 37 37 LEU N N 15 128.868 0.3 . 1 . . . . . 33 LEU N . 50394 2 63 . 1 . 1 38 38 VAL H H 1 8.797 0.020 . 1 . . . . . 34 VAL H . 50394 2 64 . 1 . 1 38 38 VAL N N 15 129.338 0.3 . 1 . . . . . 34 VAL N . 50394 2 65 . 1 . 1 43 43 THR H H 1 8.267 0.020 . 1 . . . . . 39 THR H . 50394 2 66 . 1 . 1 43 43 THR N N 15 107.718 0.3 . 1 . . . . . 39 THR N . 50394 2 67 . 1 . 1 44 44 HIS H H 1 7.444 0.020 . 1 . . . . . 40 HIS H . 50394 2 68 . 1 . 1 44 44 HIS N N 15 115.728 0.3 . 1 . . . . . 40 HIS N . 50394 2 69 . 1 . 1 45 45 LEU H H 1 8.095 0.020 . 1 . . . . . 41 LEU H . 50394 2 70 . 1 . 1 45 45 LEU N N 15 114.88 0.3 . 1 . . . . . 41 LEU N . 50394 2 71 . 1 . 1 46 46 LYS H H 1 7.974 0.020 . 1 . . . . . 42 LYS H . 50394 2 72 . 1 . 1 46 46 LYS N N 15 116.561 0.3 . 1 . . . . . 42 LYS N . 50394 2 73 . 1 . 1 48 48 GLY H H 1 8.514 0.020 . 1 . . . . . 44 GLY H . 50394 2 74 . 1 . 1 48 48 GLY N N 15 116.934 0.3 . 1 . . . . . 44 GLY N . 50394 2 75 . 1 . 1 50 50 GLY H H 1 8.633 0.020 . 1 . . . . . 46 GLY H . 50394 2 76 . 1 . 1 50 50 GLY N N 15 112.937 0.3 . 1 . . . . . 46 GLY N . 50394 2 77 . 1 . 1 54 54 ALA H H 1 7.487 0.3 . 1 . . . . . 50 ALA H . 50394 2 78 . 1 . 1 54 54 ALA N N 15 127.904 0.3 . 1 . . . . . 50 ALA N . 50394 2 79 . 1 . 1 55 55 ILE H H 1 9.092 0.020 . 1 . . . . . 51 ILE H . 50394 2 80 . 1 . 1 55 55 ILE N N 15 123.009 0.3 . 1 . . . . . 51 ILE N . 50394 2 81 . 1 . 1 56 56 ASN H H 1 8.455 0.020 . 1 . . . . . 52 ASN H . 50394 2 82 . 1 . 1 56 56 ASN N N 15 117.073 0.3 . 1 . . . . . 52 ASN N . 50394 2 83 . 1 . 1 57 57 ALA H H 1 8.818 0.020 . 1 . . . . . 53 ALA H . 50394 2 84 . 1 . 1 57 57 ALA N N 15 124.572 0.3 . 1 . . . . . 53 ALA N . 50394 2 85 . 1 . 1 58 58 ALA H H 1 8.314 0.020 . 1 . . . . . 54 ALA H . 50394 2 86 . 1 . 1 58 58 ALA N N 15 122.754 0.3 . 1 . . . . . 54 ALA N . 50394 2 87 . 1 . 1 59 59 SER H H 1 7.826 0.020 . 1 . . . . . 55 SER H . 50394 2 88 . 1 . 1 59 59 SER N N 15 111.873 0.3 . 1 . . . . . 55 SER N . 50394 2 89 . 1 . 1 60 60 LYS H H 1 8.4 0.020 . 1 . . . . . 56 LYS H . 50394 2 90 . 1 . 1 60 60 LYS N N 15 122.072 0.3 . 1 . . . . . 56 LYS N . 50394 2 91 . 1 . 1 61 61 GLY H H 1 7.789 0.020 . 1 . . . . . 57 GLY H . 50394 2 92 . 1 . 1 61 61 GLY N N 15 104.067 0.3 . 1 . . . . . 57 GLY N . 50394 2 93 . 1 . 1 62 62 ALA H H 1 7.723 0.020 . 1 . . . . . 58 ALA H . 50394 2 94 . 1 . 1 62 62 ALA N N 15 125.92 0.3 . 1 . . . . . 58 ALA N . 50394 2 95 . 1 . 1 63 63 VAL H H 1 8.218 0.020 . 1 . . . . . 59 VAL H . 50394 2 96 . 1 . 1 63 63 VAL N N 15 117.641 0.3 . 1 . . . . . 59 VAL N . 50394 2 97 . 1 . 1 64 64 GLN H H 1 8.344 0.020 . 1 . . . . . 60 GLN H . 50394 2 98 . 1 . 1 64 64 GLN N N 15 123.415 0.3 . 1 . . . . . 60 GLN N . 50394 2 99 . 1 . 1 65 65 LYS H H 1 7.595 0.020 . 1 . . . . . 61 LYS H . 50394 2 100 . 1 . 1 65 65 LYS N N 15 120.179 0.3 . 1 . . . . . 61 LYS N . 50394 2 101 . 1 . 1 66 66 GLU H H 1 7.994 0.020 . 1 . . . . . 62 GLU H . 50394 2 102 . 1 . 1 66 66 GLU N N 15 120.141 0.3 . 1 . . . . . 62 GLU N . 50394 2 103 . 1 . 1 67 67 SER H H 1 8.397 0.020 . 1 . . . . . 63 SER H . 50394 2 104 . 1 . 1 67 67 SER N N 15 117.307 0.3 . 1 . . . . . 63 SER N . 50394 2 105 . 1 . 1 68 68 ASP H H 1 8.707 0.020 . 1 . . . . . 64 ASP H . 50394 2 106 . 1 . 1 68 68 ASP N N 15 122.649 0.3 . 1 . . . . . 64 ASP N . 50394 2 107 . 1 . 1 69 69 GLU H H 1 7.715 0.020 . 1 . . . . . 65 GLU H . 50394 2 108 . 1 . 1 69 69 GLU N N 15 119.58 0.3 . 1 . . . . . 65 GLU N . 50394 2 109 . 1 . 1 70 70 TYR H H 1 8.196 0.3 . 1 . . . . . 66 TYR H . 50394 2 110 . 1 . 1 70 70 TYR N N 15 122.829 0.3 . 1 . . . . . 66 TYR N . 50394 2 111 . 1 . 1 71 71 ILE H H 1 8.413 0.020 . 1 . . . . . 67 ILE H . 50394 2 112 . 1 . 1 71 71 ILE N N 15 120.111 0.3 . 1 . . . . . 67 ILE N . 50394 2 113 . 1 . 1 72 72 LEU H H 1 7.975 0.020 . 1 . . . . . 68 LEU H . 50394 2 114 . 1 . 1 72 72 LEU N N 15 121.419 0.3 . 1 . . . . . 68 LEU N . 50394 2 115 . 1 . 1 73 73 ALA H H 1 7.318 0.020 . 1 . . . . . 69 ALA H . 50394 2 116 . 1 . 1 73 73 ALA N N 15 118.985 0.3 . 1 . . . . . 69 ALA N . 50394 2 117 . 1 . 1 74 74 LYS H H 1 8.411 0.020 . 1 . . . . . 70 LYS H . 50394 2 118 . 1 . 1 74 74 LYS N N 15 115.731 0.3 . 1 . . . . . 70 LYS N . 50394 2 119 . 1 . 1 75 75 GLY H H 1 8.084 0.020 . 1 . . . . . 71 GLY H . 50394 2 120 . 1 . 1 75 75 GLY N N 15 110.78 0.3 . 1 . . . . . 71 GLY N . 50394 2 121 . 1 . 1 77 77 LEU H H 1 8.461 0.020 . 1 . . . . . 73 LEU H . 50394 2 122 . 1 . 1 77 77 LEU N N 15 122.856 0.3 . 1 . . . . . 73 LEU N . 50394 2 123 . 1 . 1 78 78 GLN H H 1 8.396 0.020 . 1 . . . . . 74 GLN H . 50394 2 124 . 1 . 1 78 78 GLN N N 15 116.773 0.3 . 1 . . . . . 74 GLN N . 50394 2 125 . 1 . 1 79 79 VAL H H 1 8.194 0.020 . 1 . . . . . 75 VAL H . 50394 2 126 . 1 . 1 79 79 VAL N N 15 120.748 0.3 . 1 . . . . . 75 VAL N . 50394 2 127 . 1 . 1 80 80 GLY H H 1 9.45 0.020 . 1 . . . . . 76 GLY H . 50394 2 128 . 1 . 1 80 80 GLY N N 15 118.635 0.3 . 1 . . . . . 76 GLY N . 50394 2 129 . 1 . 1 81 81 ASP H H 1 7.907 0.020 . 1 . . . . . 77 ASP H . 50394 2 130 . 1 . 1 81 81 ASP N N 15 119.537 0.3 . 1 . . . . . 77 ASP N . 50394 2 131 . 1 . 1 82 82 SER H H 1 7.849 0.020 . 1 . . . . . 78 SER H . 50394 2 132 . 1 . 1 82 82 SER N N 15 107.54 0.3 . 1 . . . . . 78 SER N . 50394 2 133 . 1 . 1 83 83 VAL H H 1 8.862 0.020 . 1 . . . . . 79 VAL H . 50394 2 134 . 1 . 1 83 83 VAL N N 15 117.525 0.3 . 1 . . . . . 79 VAL N . 50394 2 135 . 1 . 1 84 84 LEU H H 1 8.53 0.020 . 1 . . . . . 80 LEU H . 50394 2 136 . 1 . 1 84 84 LEU N N 15 131.874 0.3 . 1 . . . . . 80 LEU N . 50394 2 137 . 1 . 1 85 85 LEU H H 1 9.201 0.020 . 1 . . . . . 81 LEU H . 50394 2 138 . 1 . 1 85 85 LEU N N 15 131.048 0.3 . 1 . . . . . 81 LEU N . 50394 2 139 . 1 . 1 86 86 GLN H H 1 9.944 0.020 . 1 . . . . . 82 GLN H . 50394 2 140 . 1 . 1 86 86 GLN N N 15 121.55 0.3 . 1 . . . . . 82 GLN N . 50394 2 141 . 1 . 1 87 87 GLY H H 1 8.556 0.020 . 1 . . . . . 83 GLY H . 50394 2 142 . 1 . 1 87 87 GLY N N 15 104.456 0.3 . 1 . . . . . 83 GLY N . 50394 2 143 . 1 . 1 88 88 HIS H H 1 7.735 0.020 . 1 . . . . . 84 HIS H . 50394 2 144 . 1 . 1 88 88 HIS N N 15 114.251 0.3 . 1 . . . . . 84 HIS N . 50394 2 145 . 1 . 1 89 89 SER H H 1 8.631 0.020 . 1 . . . . . 85 SER H . 50394 2 146 . 1 . 1 89 89 SER N N 15 108.922 0.3 . 1 . . . . . 85 SER N . 50394 2 147 . 1 . 1 90 90 LEU H H 1 8.509 0.020 . 1 . . . . . 86 LEU H . 50394 2 148 . 1 . 1 90 90 LEU N N 15 122.804 0.3 . 1 . . . . . 86 LEU N . 50394 2 149 . 1 . 1 91 91 ALA H H 1 7.271 0.020 . 1 . . . . . 87 ALA H . 50394 2 150 . 1 . 1 91 91 ALA N N 15 115.672 0.3 . 1 . . . . . 87 ALA N . 50394 2 151 . 1 . 1 92 92 LYS H H 1 8.824 0.020 . 1 . . . . . 88 LYS H . 50394 2 152 . 1 . 1 92 92 LYS N N 15 122.498 0.3 . 1 . . . . . 88 LYS N . 50394 2 153 . 1 . 1 93 93 ASN H H 1 7.439 0.020 . 1 . . . . . 89 ASN H . 50394 2 154 . 1 . 1 93 93 ASN N N 15 108.499 0.3 . 1 . . . . . 89 ASN N . 50394 2 155 . 1 . 1 94 94 ILE H H 1 7.098 0.020 . 1 . . . . . 90 ILE H . 50394 2 156 . 1 . 1 94 94 ILE N N 15 119.729 0.3 . 1 . . . . . 90 ILE N . 50394 2 157 . 1 . 1 95 95 LEU H H 1 8.637 0.020 . 1 . . . . . 91 LEU H . 50394 2 158 . 1 . 1 95 95 LEU N N 15 130.127 0.3 . 1 . . . . . 91 LEU N . 50394 2 159 . 1 . 1 96 96 HIS H H 1 9.114 0.020 . 1 . . . . . 92 HIS H . 50394 2 160 . 1 . 1 96 96 HIS N N 15 129.733 0.3 . 1 . . . . . 92 HIS N . 50394 2 161 . 1 . 1 97 97 VAL H H 1 8.765 0.020 . 1 . . . . . 93 VAL H . 50394 2 162 . 1 . 1 97 97 VAL N N 15 120.165 0.3 . 1 . . . . . 93 VAL N . 50394 2 163 . 1 . 1 98 98 VAL H H 1 7.86 0.020 . 1 . . . . . 94 VAL H . 50394 2 164 . 1 . 1 98 98 VAL N N 15 123.453 0.3 . 1 . . . . . 94 VAL N . 50394 2 165 . 1 . 1 99 99 GLY H H 1 8.747 0.020 . 1 . . . . . 95 GLY H . 50394 2 166 . 1 . 1 99 99 GLY N N 15 115.549 0.3 . 1 . . . . . 95 GLY N . 50394 2 167 . 1 . 1 101 101 ASP H H 1 8.374 0.020 . 1 . . . . . 97 ASP H . 50394 2 168 . 1 . 1 101 101 ASP N N 15 120.115 0.3 . 1 . . . . . 97 ASP N . 50394 2 169 . 1 . 1 102 102 ALA H H 1 9.42 0.020 . 1 . . . . . 98 ALA H . 50394 2 170 . 1 . 1 102 102 ALA N N 15 130.237 0.3 . 1 . . . . . 98 ALA N . 50394 2 171 . 1 . 1 103 103 ARG H H 1 8.492 0.020 . 1 . . . . . 99 ARG H . 50394 2 172 . 1 . 1 103 103 ARG N N 15 119.396 0.3 . 1 . . . . . 99 ARG N . 50394 2 173 . 1 . 1 104 104 ALA H H 1 6.738 0.020 . 1 . . . . . 100 ALA H . 50394 2 174 . 1 . 1 104 104 ALA N N 15 119.083 0.3 . 1 . . . . . 100 ALA N . 50394 2 175 . 1 . 1 105 105 LYS H H 1 7.736 0.020 . 1 . . . . . 101 LYS H . 50394 2 176 . 1 . 1 105 105 LYS N N 15 113.401 0.3 . 1 . . . . . 101 LYS N . 50394 2 177 . 1 . 1 107 107 ASP H H 1 8.286 0.020 . 1 . . . . . 103 ASP H . 50394 2 178 . 1 . 1 107 107 ASP N N 15 120.436 0.3 . 1 . . . . . 103 ASP N . 50394 2 179 . 1 . 1 108 108 VAL H H 1 8.298 0.020 . 1 . . . . . 104 VAL H . 50394 2 180 . 1 . 1 108 108 VAL N N 15 127.643 0.3 . 1 . . . . . 104 VAL N . 50394 2 181 . 1 . 1 109 109 SER H H 1 8.386 0.020 . 1 . . . . . 105 SER H . 50394 2 182 . 1 . 1 109 109 SER N N 15 114.394 0.3 . 1 . . . . . 105 SER N . 50394 2 183 . 1 . 1 110 110 LEU H H 1 7.882 0.020 . 1 . . . . . 106 LEU H . 50394 2 184 . 1 . 1 110 110 LEU N N 15 124.975 0.3 . 1 . . . . . 106 LEU N . 50394 2 185 . 1 . 1 111 111 LEU H H 1 8.24 0.020 . 1 . . . . . 107 LEU H . 50394 2 186 . 1 . 1 111 111 LEU N N 15 120.286 0.3 . 1 . . . . . 107 LEU N . 50394 2 187 . 1 . 1 112 112 SER H H 1 7.71 0.020 . 1 . . . . . 108 SER H . 50394 2 188 . 1 . 1 112 112 SER N N 15 113.775 0.3 . 1 . . . . . 108 SER N . 50394 2 189 . 1 . 1 113 113 LYS H H 1 6.959 0.020 . 1 . . . . . 109 LYS H . 50394 2 190 . 1 . 1 113 113 LYS N N 15 119.767 0.3 . 1 . . . . . 109 LYS N . 50394 2 191 . 1 . 1 114 114 CYS H H 1 7.33 0.020 . 1 . . . . . 110 CYS H . 50394 2 192 . 1 . 1 114 114 CYS N N 15 117.796 0.3 . 1 . . . . . 110 CYS N . 50394 2 193 . 1 . 1 115 115 TYR H H 1 7.8 0.020 . 1 . . . . . 111 TYR H . 50394 2 194 . 1 . 1 115 115 TYR N N 15 113.709 0.3 . 1 . . . . . 111 TYR N . 50394 2 195 . 1 . 1 116 116 LYS H H 1 8.464 0.020 . 1 . . . . . 112 LYS H . 50394 2 196 . 1 . 1 116 116 LYS N N 15 119.867 0.3 . 1 . . . . . 112 LYS N . 50394 2 197 . 1 . 1 117 117 ALA H H 1 7.199 0.020 . 1 . . . . . 113 ALA H . 50394 2 198 . 1 . 1 117 117 ALA N N 15 119.585 0.3 . 1 . . . . . 113 ALA N . 50394 2 199 . 1 . 1 118 118 MET H H 1 7.414 0.020 . 1 . . . . . 114 MET H . 50394 2 200 . 1 . 1 118 118 MET N N 15 113.775 0.3 . 1 . . . . . 114 MET N . 50394 2 201 . 1 . 1 119 119 ASN H H 1 7.117 0.020 . 1 . . . . . 115 ASN H . 50394 2 202 . 1 . 1 119 119 ASN N N 15 111.027 0.3 . 1 . . . . . 115 ASN N . 50394 2 203 . 1 . 1 120 120 ALA H H 1 6.548 0.020 . 1 . . . . . 116 ALA H . 50394 2 204 . 1 . 1 120 120 ALA N N 15 120.062 0.3 . 1 . . . . . 116 ALA N . 50394 2 205 . 1 . 1 121 121 TYR H H 1 7.178 0.020 . 1 . . . . . 117 TYR H . 50394 2 206 . 1 . 1 121 121 TYR N N 15 118.93 0.3 . 1 . . . . . 117 TYR N . 50394 2 207 . 1 . 1 123 123 LEU H H 1 7.483 0.020 . 1 . . . . . 119 LEU H . 50394 2 208 . 1 . 1 123 123 LEU N N 15 118.132 0.3 . 1 . . . . . 119 LEU N . 50394 2 209 . 1 . 1 124 124 VAL H H 1 8.886 0.020 . 1 . . . . . 120 VAL H . 50394 2 210 . 1 . 1 124 124 VAL N N 15 130.323 0.3 . 1 . . . . . 120 VAL N . 50394 2 211 . 1 . 1 125 125 VAL H H 1 8.953 0.020 . 1 . . . . . 121 VAL H . 50394 2 212 . 1 . 1 125 125 VAL N N 15 128.05 0.3 . 1 . . . . . 121 VAL N . 50394 2 213 . 1 . 1 126 126 THR H H 1 9.101 0.020 . 1 . . . . . 122 THR H . 50394 2 214 . 1 . 1 126 126 THR N N 15 121.296 0.3 . 1 . . . . . 122 THR N . 50394 2 215 . 1 . 1 128 128 LEU H H 1 8.762 0.020 . 1 . . . . . 124 LEU H . 50394 2 216 . 1 . 1 128 128 LEU N N 15 117.511 0.3 . 1 . . . . . 124 LEU N . 50394 2 217 . 1 . 1 129 129 VAL H H 1 7.401 0.020 . 1 . . . . . 125 VAL H . 50394 2 218 . 1 . 1 129 129 VAL N N 15 127.867 0.3 . 1 . . . . . 125 VAL N . 50394 2 219 . 1 . 1 130 130 SER H H 1 8.698 0.020 . 1 . . . . . 126 SER H . 50394 2 220 . 1 . 1 130 130 SER N N 15 118.747 0.3 . 1 . . . . . 126 SER N . 50394 2 221 . 1 . 1 131 131 ALA H H 1 7.223 0.020 . 1 . . . . . 127 ALA H . 50394 2 222 . 1 . 1 131 131 ALA N N 15 118.804 0.3 . 1 . . . . . 127 ALA N . 50394 2 223 . 1 . 1 135 135 GLY H H 1 7.689 0.020 . 1 . . . . . 131 GLY H . 50394 2 224 . 1 . 1 135 135 GLY N N 15 102.729 0.3 . 1 . . . . . 131 GLY N . 50394 2 225 . 1 . 1 137 137 LYS H H 1 8.606 0.020 . 1 . . . . . 133 LYS H . 50394 2 226 . 1 . 1 137 137 LYS N N 15 127.131 0.3 . 1 . . . . . 133 LYS N . 50394 2 227 . 1 . 1 139 139 ALA H H 1 8.663 0.020 . 1 . . . . . 135 ALA H . 50394 2 228 . 1 . 1 139 139 ALA N N 15 115.46 0.3 . 1 . . . . . 135 ALA N . 50394 2 229 . 1 . 1 140 140 VAL H H 1 7.28 0.020 . 1 . . . . . 136 VAL H . 50394 2 230 . 1 . 1 140 140 VAL N N 15 118.432 0.3 . 1 . . . . . 136 VAL N . 50394 2 231 . 1 . 1 141 141 SER H H 1 7.37 0.020 . 1 . . . . . 137 SER H . 50394 2 232 . 1 . 1 141 141 SER N N 15 111.67 0.3 . 1 . . . . . 137 SER N . 50394 2 233 . 1 . 1 142 142 PHE H H 1 8.878 0.020 . 1 . . . . . 138 PHE H . 50394 2 234 . 1 . 1 142 142 PHE N N 15 116.803 0.3 . 1 . . . . . 138 PHE N . 50394 2 235 . 1 . 1 143 143 ASP H H 1 7.673 0.020 . 1 . . . . . 139 ASP H . 50394 2 236 . 1 . 1 143 143 ASP N N 15 118.324 0.3 . 1 . . . . . 139 ASP N . 50394 2 237 . 1 . 1 144 144 TYR H H 1 7.703 0.020 . 1 . . . . . 140 TYR H . 50394 2 238 . 1 . 1 144 144 TYR N N 15 115.284 0.3 . 1 . . . . . 140 TYR N . 50394 2 239 . 1 . 1 145 145 LEU H H 1 7.315 0.020 . 1 . . . . . 141 LEU H . 50394 2 240 . 1 . 1 145 145 LEU N N 15 121.897 0.3 . 1 . . . . . 141 LEU N . 50394 2 241 . 1 . 1 146 146 ILE H H 1 8.142 0.020 . 1 . . . . . 142 ILE H . 50394 2 242 . 1 . 1 146 146 ILE N N 15 116.944 0.3 . 1 . . . . . 142 ILE N . 50394 2 243 . 1 . 1 147 147 ARG H H 1 7.597 0.020 . 1 . . . . . 143 ARG H . 50394 2 244 . 1 . 1 147 147 ARG N N 15 118.454 0.3 . 1 . . . . . 143 ARG N . 50394 2 245 . 1 . 1 148 148 GLU H H 1 7.484 0.020 . 1 . . . . . 144 GLU H . 50394 2 246 . 1 . 1 148 148 GLU N N 15 114.064 0.3 . 1 . . . . . 144 GLU N . 50394 2 247 . 1 . 1 149 149 ALA H H 1 8.251 0.020 . 1 . . . . . 145 ALA H . 50394 2 248 . 1 . 1 149 149 ALA N N 15 123.1 0.3 . 1 . . . . . 145 ALA N . 50394 2 249 . 1 . 1 150 150 LYS H H 1 9.162 0.020 . 1 . . . . . 146 LYS H . 50394 2 250 . 1 . 1 150 150 LYS N N 15 123.047 0.3 . 1 . . . . . 146 LYS N . 50394 2 251 . 1 . 1 151 151 THR H H 1 7.106 0.020 . 1 . . . . . 147 THR H . 50394 2 252 . 1 . 1 151 151 THR N N 15 115.682 0.3 . 1 . . . . . 147 THR N . 50394 2 253 . 1 . 1 152 152 ARG H H 1 7.472 0.020 . 1 . . . . . 148 ARG H . 50394 2 254 . 1 . 1 152 152 ARG N N 15 120.507 0.3 . 1 . . . . . 148 ARG N . 50394 2 255 . 1 . 1 153 153 VAL H H 1 8.721 0.020 . 1 . . . . . 149 VAL H . 50394 2 256 . 1 . 1 153 153 VAL N N 15 126.394 0.3 . 1 . . . . . 149 VAL N . 50394 2 257 . 1 . 1 154 154 LEU H H 1 9.256 0.020 . 1 . . . . . 150 LEU H . 50394 2 258 . 1 . 1 154 154 LEU N N 15 129.402 0.3 . 1 . . . . . 150 LEU N . 50394 2 259 . 1 . 1 155 155 VAL H H 1 9.07 0.020 . 1 . . . . . 151 VAL H . 50394 2 260 . 1 . 1 155 155 VAL N N 15 125.159 0.3 . 1 . . . . . 151 VAL N . 50394 2 261 . 1 . 1 156 156 VAL H H 1 8.977 0.020 . 1 . . . . . 152 VAL H . 50394 2 262 . 1 . 1 156 156 VAL N N 15 128.479 0.3 . 1 . . . . . 152 VAL N . 50394 2 263 . 1 . 1 157 157 VAL H H 1 9.155 0.020 . 1 . . . . . 153 VAL H . 50394 2 264 . 1 . 1 157 157 VAL N N 15 122.05 0.3 . 1 . . . . . 153 VAL N . 50394 2 265 . 1 . 1 158 158 ASN H H 1 7.951 0.020 . 1 . . . . . 154 ASN H . 50394 2 266 . 1 . 1 158 158 ASN N N 15 120.091 0.3 . 1 . . . . . 154 ASN N . 50394 2 267 . 1 . 1 159 159 SER H H 1 7.125 0.020 . 1 . . . . . 155 SER H . 50394 2 268 . 1 . 1 159 159 SER N N 15 113.241 0.3 . 1 . . . . . 155 SER N . 50394 2 269 . 1 . 1 160 160 GLN H H 1 9.293 0.020 . 1 . . . . . 156 GLN H . 50394 2 270 . 1 . 1 160 160 GLN N N 15 129.993 0.3 . 1 . . . . . 156 GLN N . 50394 2 271 . 1 . 1 161 161 ASP H H 1 8.3 0.020 . 1 . . . . . 157 ASP H . 50394 2 272 . 1 . 1 161 161 ASP N N 15 119.044 0.3 . 1 . . . . . 157 ASP N . 50394 2 273 . 1 . 1 162 162 VAL H H 1 7.523 0.020 . 1 . . . . . 158 VAL H . 50394 2 274 . 1 . 1 162 162 VAL N N 15 121.729 0.3 . 1 . . . . . 158 VAL N . 50394 2 275 . 1 . 1 163 163 TYR H H 1 8.341 0.020 . 1 . . . . . 159 TYR H . 50394 2 276 . 1 . 1 163 163 TYR N N 15 120.949 0.3 . 1 . . . . . 159 TYR N . 50394 2 277 . 1 . 1 164 164 LYS H H 1 8.752 0.020 . 1 . . . . . 160 LYS H . 50394 2 278 . 1 . 1 164 164 LYS N N 15 119.045 0.3 . 1 . . . . . 160 LYS N . 50394 2 279 . 1 . 1 165 165 SER H H 1 7.615 0.020 . 1 . . . . . 161 SER H . 50394 2 280 . 1 . 1 165 165 SER N N 15 113.466 0.3 . 1 . . . . . 161 SER N . 50394 2 281 . 1 . 1 166 166 LEU H H 1 7.277 0.020 . 1 . . . . . 162 LEU H . 50394 2 282 . 1 . 1 166 166 LEU N N 15 119.037 0.3 . 1 . . . . . 162 LEU N . 50394 2 283 . 1 . 1 167 167 THR H H 1 7.182 0.020 . 1 . . . . . 163 THR H . 50394 2 284 . 1 . 1 167 167 THR N N 15 106.5 0.3 . 1 . . . . . 163 THR N . 50394 2 285 . 1 . 1 168 168 ILE H H 1 7.106 0.020 . 1 . . . . . 164 ILE H . 50394 2 286 . 1 . 1 168 168 ILE N N 15 125.915 0.3 . 1 . . . . . 164 ILE N . 50394 2 stop_ save_