################################### # 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 50396 _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' . . . 50396 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 . . 50396 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 6 6 LEU H H 1 8.013 0.020 . 1 . . . . . 2 LEU H . 50396 1 2 . 1 . 1 6 6 LEU N N 15 115.973 0.3 . 1 . . . . . 2 LEU N . 50396 1 3 . 1 . 1 7 7 SER H H 1 7.764 0.020 . 1 . . . . . 3 SER H . 50396 1 4 . 1 . 1 7 7 SER N N 15 113.077 0.3 . 1 . . . . . 3 SER N . 50396 1 5 . 1 . 1 8 8 ASN H H 1 7.769 0.020 . 1 . . . . . 4 ASN H . 50396 1 6 . 1 . 1 8 8 ASN N N 15 116.591 0.3 . 1 . . . . . 4 ASN N . 50396 1 7 . 1 . 1 9 9 PHE H H 1 7.853 0.020 . 1 . . . . . 5 PHE H . 50396 1 8 . 1 . 1 9 9 PHE N N 15 117.619 0.3 . 1 . . . . . 5 PHE N . 50396 1 9 . 1 . 1 10 10 GLU H H 1 9.512 0.020 . 1 . . . . . 6 GLU H . 50396 1 10 . 1 . 1 10 10 GLU N N 15 129.378 0.3 . 1 . . . . . 6 GLU N . 50396 1 11 . 1 . 1 11 11 HIS H H 1 8.116 0.020 . 1 . . . . . 7 HIS H . 50396 1 12 . 1 . 1 11 11 HIS N N 15 120.974 0.3 . 1 . . . . . 7 HIS N . 50396 1 13 . 1 . 1 12 12 LYS H H 1 9.114 0.020 . 1 . . . . . 8 LYS H . 50396 1 14 . 1 . 1 12 12 LYS N N 15 119.267 0.3 . 1 . . . . . 8 LYS N . 50396 1 15 . 1 . 1 13 13 VAL H H 1 8.887 0.020 . 1 . . . . . 9 VAL H . 50396 1 16 . 1 . 1 13 13 VAL N N 15 129.402 0.3 . 1 . . . . . 9 VAL N . 50396 1 17 . 1 . 1 14 14 ILE H H 1 8.764 0.020 . 1 . . . . . 10 ILE H . 50396 1 18 . 1 . 1 14 14 ILE N N 15 129.914 0.3 . 1 . . . . . 10 ILE N . 50396 1 19 . 1 . 1 15 15 THR H H 1 8.391 0.020 . 1 . . . . . 11 THR H . 50396 1 20 . 1 . 1 15 15 THR N N 15 110.04 0.3 . 1 . . . . . 11 THR N . 50396 1 21 . 1 . 1 16 16 GLU H H 1 8.873 0.3 . 1 . . . . . 12 GLU H . 50396 1 22 . 1 . 1 16 16 GLU N N 15 116.51 0.3 . 1 . . . . . 12 GLU N . 50396 1 23 . 1 . 1 17 17 CYS H H 1 7.631 0.020 . 1 . . . . . 13 CYS H . 50396 1 24 . 1 . 1 17 17 CYS N N 15 113.134 0.3 . 1 . . . . . 13 CYS N . 50396 1 25 . 1 . 1 18 18 VAL H H 1 7.339 0.020 . 1 . . . . . 14 VAL H . 50396 1 26 . 1 . 1 18 18 VAL N N 15 119.143 0.3 . 1 . . . . . 14 VAL N . 50396 1 27 . 1 . 1 19 19 THR H H 1 8.488 0.020 . 1 . . . . . 15 THR H . 50396 1 28 . 1 . 1 19 19 THR N N 15 126.863 0.3 . 1 . . . . . 15 THR N . 50396 1 29 . 1 . 1 20 20 ILE H H 1 9.033 0.020 . 1 . . . . . 16 ILE H . 50396 1 30 . 1 . 1 20 20 ILE N N 15 126.58 0.3 . 1 . . . . . 16 ILE N . 50396 1 31 . 1 . 1 21 21 VAL H H 1 9.389 0.020 . 1 . . . . . 17 VAL H . 50396 1 32 . 1 . 1 21 21 VAL N N 15 128.09 0.3 . 1 . . . . . 17 VAL N . 50396 1 33 . 1 . 1 22 22 LEU H H 1 8.221 0.020 . 1 . . . . . 18 LEU H . 50396 1 34 . 1 . 1 22 22 LEU N N 15 129.508 0.3 . 1 . . . . . 18 LEU N . 50396 1 35 . 1 . 1 23 23 GLY H H 1 8.562 0.020 . 1 . . . . . 19 GLY H . 50396 1 36 . 1 . 1 23 23 GLY N N 15 114.28 0.3 . 1 . . . . . 19 GLY N . 50396 1 37 . 1 . 1 24 24 ASP H H 1 7.57 0.020 . 1 . . . . . 20 ASP H . 50396 1 38 . 1 . 1 24 24 ASP N N 15 117.346 0.3 . 1 . . . . . 20 ASP N . 50396 1 39 . 1 . 1 26 26 ILE H H 1 8.225 0.020 . 1 . . . . . 22 ILE H . 50396 1 40 . 1 . 1 26 26 ILE N N 15 115.607 0.3 . 1 . . . . . 22 ILE N . 50396 1 41 . 1 . 1 27 27 GLN H H 1 7.123 0.020 . 1 . . . . . 23 GLN H . 50396 1 42 . 1 . 1 27 27 GLN N N 15 117.74 0.3 . 1 . . . . . 23 GLN N . 50396 1 43 . 1 . 1 28 28 VAL H H 1 7.805 0.020 . 1 . . . . . 24 VAL H . 50396 1 44 . 1 . 1 28 28 VAL N N 15 119.456 0.3 . 1 . . . . . 24 VAL N . 50396 1 45 . 1 . 1 29 29 ALA H H 1 8.188 0.020 . 1 . . . . . 25 ALA H . 50396 1 46 . 1 . 1 29 29 ALA N N 15 120.21 0.3 . 1 . . . . . 25 ALA N . 50396 1 47 . 1 . 1 30 30 LYS H H 1 7.398 0.020 . 1 . . . . . 26 LYS H . 50396 1 48 . 1 . 1 30 30 LYS N N 15 115.833 0.3 . 1 . . . . . 26 LYS N . 50396 1 49 . 1 . 1 31 31 CYS H H 1 7.498 0.020 . 1 . . . . . 27 CYS H . 50396 1 50 . 1 . 1 31 31 CYS N N 15 114.878 0.3 . 1 . . . . . 27 CYS N . 50396 1 51 . 1 . 1 32 32 TYR H H 1 7.54 0.020 . 1 . . . . . 28 TYR H . 50396 1 52 . 1 . 1 32 32 TYR N N 15 118.18 0.3 . 1 . . . . . 28 TYR N . 50396 1 53 . 1 . 1 33 33 GLY H H 1 8.721 0.020 . 1 . . . . . 29 GLY H . 50396 1 54 . 1 . 1 33 33 GLY N N 15 113.128 0.3 . 1 . . . . . 29 GLY N . 50396 1 55 . 1 . 1 34 34 GLU H H 1 9.004 0.020 . 1 . . . . . 30 GLU H . 50396 1 56 . 1 . 1 34 34 GLU N N 15 117.357 0.3 . 1 . . . . . 30 GLU N . 50396 1 57 . 1 . 1 35 35 SER H H 1 7.926 0.020 . 1 . . . . . 31 SER H . 50396 1 58 . 1 . 1 35 35 SER N N 15 115.28 0.3 . 1 . . . . . 31 SER N . 50396 1 59 . 1 . 1 36 36 VAL H H 1 7.485 0.020 . 1 . . . . . 32 VAL H . 50396 1 60 . 1 . 1 36 36 VAL N N 15 119.544 0.3 . 1 . . . . . 32 VAL N . 50396 1 61 . 1 . 1 37 37 LEU H H 1 7.361 0.020 . 1 . . . . . 33 LEU H . 50396 1 62 . 1 . 1 37 37 LEU N N 15 128.687 0.3 . 1 . . . . . 33 LEU N . 50396 1 63 . 1 . 1 39 39 ASN H H 1 8.12 0.020 . 1 . . . . . 35 ASN H . 50396 1 64 . 1 . 1 39 39 ASN N N 15 118.865 0.3 . 1 . . . . . 35 ASN N . 50396 1 65 . 1 . 1 42 42 ASN H H 1 7.128 0.020 . 1 . . . . . 38 ASN H . 50396 1 66 . 1 . 1 42 42 ASN N N 15 111.997 0.3 . 1 . . . . . 38 ASN N . 50396 1 67 . 1 . 1 43 43 THR H H 1 8.4 0.020 . 1 . . . . . 39 THR H . 50396 1 68 . 1 . 1 43 43 THR N N 15 107.745 0.3 . 1 . . . . . 39 THR N . 50396 1 69 . 1 . 1 44 44 HIS H H 1 7.309 0.020 . 1 . . . . . 40 HIS H . 50396 1 70 . 1 . 1 44 44 HIS N N 15 114.562 0.3 . 1 . . . . . 40 HIS N . 50396 1 71 . 1 . 1 45 45 LEU H H 1 8.036 0.020 . 1 . . . . . 41 LEU H . 50396 1 72 . 1 . 1 45 45 LEU N N 15 115.448 0.3 . 1 . . . . . 41 LEU N . 50396 1 73 . 1 . 1 46 46 LYS H H 1 8.054 0.020 . 1 . . . . . 42 LYS H . 50396 1 74 . 1 . 1 46 46 LYS N N 15 115.961 0.3 . 1 . . . . . 42 LYS N . 50396 1 75 . 1 . 1 48 48 GLY H H 1 7.881 0.020 . 1 . . . . . 44 GLY H . 50396 1 76 . 1 . 1 48 48 GLY N N 15 109.616 0.3 . 1 . . . . . 44 GLY N . 50396 1 77 . 1 . 1 49 49 GLY H H 1 7.976 0.020 . 1 . . . . . 45 GLY H . 50396 1 78 . 1 . 1 49 49 GLY N N 15 109.348 0.3 . 1 . . . . . 45 GLY N . 50396 1 79 . 1 . 1 50 50 GLY H H 1 8.406 0.020 . 1 . . . . . 46 GLY H . 50396 1 80 . 1 . 1 50 50 GLY N N 15 107.149 0.3 . 1 . . . . . 46 GLY N . 50396 1 81 . 1 . 1 51 51 ILE H H 1 8.641 0.020 . 1 . . . . . 47 ILE H . 50396 1 82 . 1 . 1 51 51 ILE N N 15 126.359 0.3 . 1 . . . . . 47 ILE N . 50396 1 83 . 1 . 1 52 52 ALA H H 1 8.375 0.020 . 1 . . . . . 48 ALA H . 50396 1 84 . 1 . 1 52 52 ALA N N 15 127.011 0.3 . 1 . . . . . 48 ALA N . 50396 1 85 . 1 . 1 53 53 GLY H H 1 7.912 0.020 . 1 . . . . . 49 GLY H . 50396 1 86 . 1 . 1 53 53 GLY N N 15 105.682 0.3 . 1 . . . . . 49 GLY N . 50396 1 87 . 1 . 1 54 54 ALA H H 1 7.494 0.3 . 1 . . . . . 50 ALA H . 50396 1 88 . 1 . 1 54 54 ALA N N 15 127.059 0.3 . 1 . . . . . 50 ALA N . 50396 1 89 . 1 . 1 55 55 ILE H H 1 9.113 0.020 . 1 . . . . . 51 ILE H . 50396 1 90 . 1 . 1 55 55 ILE N N 15 123.527 0.3 . 1 . . . . . 51 ILE N . 50396 1 91 . 1 . 1 56 56 ASN H H 1 8.547 0.020 . 1 . . . . . 52 ASN H . 50396 1 92 . 1 . 1 56 56 ASN N N 15 117.132 0.3 . 1 . . . . . 52 ASN N . 50396 1 93 . 1 . 1 57 57 ALA H H 1 8.639 0.020 . 1 . . . . . 53 ALA H . 50396 1 94 . 1 . 1 57 57 ALA N N 15 124.212 0.3 . 1 . . . . . 53 ALA N . 50396 1 95 . 1 . 1 58 58 ALA H H 1 8.154 0.020 . 1 . . . . . 54 ALA H . 50396 1 96 . 1 . 1 58 58 ALA N N 15 122.986 0.3 . 1 . . . . . 54 ALA N . 50396 1 97 . 1 . 1 59 59 SER H H 1 7.763 0.020 . 1 . . . . . 55 SER H . 50396 1 98 . 1 . 1 59 59 SER N N 15 111.727 0.3 . 1 . . . . . 55 SER N . 50396 1 99 . 1 . 1 60 60 LYS H H 1 8.34 0.020 . 1 . . . . . 56 LYS H . 50396 1 100 . 1 . 1 60 60 LYS N N 15 121.636 0.3 . 1 . . . . . 56 LYS N . 50396 1 101 . 1 . 1 61 61 GLY H H 1 7.675 0.020 . 1 . . . . . 57 GLY H . 50396 1 102 . 1 . 1 61 61 GLY N N 15 103.81 0.3 . 1 . . . . . 57 GLY N . 50396 1 103 . 1 . 1 62 62 ALA H H 1 7.623 0.020 . 1 . . . . . 58 ALA H . 50396 1 104 . 1 . 1 62 62 ALA N N 15 125.701 0.3 . 1 . . . . . 58 ALA N . 50396 1 105 . 1 . 1 63 63 VAL H H 1 8.059 0.020 . 1 . . . . . 59 VAL H . 50396 1 106 . 1 . 1 63 63 VAL N N 15 117.523 0.3 . 1 . . . . . 59 VAL N . 50396 1 107 . 1 . 1 64 64 GLN H H 1 8.1 0.020 . 1 . . . . . 60 GLN H . 50396 1 108 . 1 . 1 64 64 GLN N N 15 123.387 0.3 . 1 . . . . . 60 GLN N . 50396 1 109 . 1 . 1 66 66 GLU H H 1 7.885 0.020 . 1 . . . . . 62 GLU H . 50396 1 110 . 1 . 1 66 66 GLU N N 15 119.584 0.3 . 1 . . . . . 62 GLU N . 50396 1 111 . 1 . 1 67 67 SER H H 1 8.261 0.020 . 1 . . . . . 63 SER H . 50396 1 112 . 1 . 1 67 67 SER N N 15 117.183 0.3 . 1 . . . . . 63 SER N . 50396 1 113 . 1 . 1 68 68 ASP H H 1 8.763 0.020 . 1 . . . . . 64 ASP H . 50396 1 114 . 1 . 1 68 68 ASP N N 15 122.993 0.3 . 1 . . . . . 64 ASP N . 50396 1 115 . 1 . 1 70 70 TYR H H 1 8.018 0.3 . 1 . . . . . 66 TYR H . 50396 1 116 . 1 . 1 70 70 TYR N N 15 122.867 0.3 . 1 . . . . . 66 TYR N . 50396 1 117 . 1 . 1 71 71 ILE H H 1 8.5 0.020 . 1 . . . . . 67 ILE H . 50396 1 118 . 1 . 1 71 71 ILE N N 15 120.269 0.3 . 1 . . . . . 67 ILE N . 50396 1 119 . 1 . 1 72 72 LEU H H 1 7.788 0.020 . 1 . . . . . 68 LEU H . 50396 1 120 . 1 . 1 72 72 LEU N N 15 121.241 0.3 . 1 . . . . . 68 LEU N . 50396 1 121 . 1 . 1 73 73 ALA H H 1 7.206 0.020 . 1 . . . . . 69 ALA H . 50396 1 122 . 1 . 1 73 73 ALA N N 15 118.822 0.3 . 1 . . . . . 69 ALA N . 50396 1 123 . 1 . 1 74 74 LYS H H 1 8.352 0.020 . 1 . . . . . 70 LYS H . 50396 1 124 . 1 . 1 74 74 LYS N N 15 115.628 0.3 . 1 . . . . . 70 LYS N . 50396 1 125 . 1 . 1 75 75 GLY H H 1 8.01 0.020 . 1 . . . . . 71 GLY H . 50396 1 126 . 1 . 1 75 75 GLY N N 15 110.621 0.3 . 1 . . . . . 71 GLY N . 50396 1 127 . 1 . 1 77 77 LEU H H 1 8.34 0.020 . 1 . . . . . 73 LEU H . 50396 1 128 . 1 . 1 77 77 LEU N N 15 122.74 0.3 . 1 . . . . . 73 LEU N . 50396 1 129 . 1 . 1 78 78 GLN H H 1 8.323 0.020 . 1 . . . . . 74 GLN H . 50396 1 130 . 1 . 1 78 78 GLN N N 15 116.891 0.3 . 1 . . . . . 74 GLN N . 50396 1 131 . 1 . 1 79 79 VAL H H 1 8.137 0.020 . 1 . . . . . 75 VAL H . 50396 1 132 . 1 . 1 79 79 VAL N N 15 120.698 0.3 . 1 . . . . . 75 VAL N . 50396 1 133 . 1 . 1 80 80 GLY H H 1 9.327 0.020 . 1 . . . . . 76 GLY H . 50396 1 134 . 1 . 1 80 80 GLY N N 15 118.745 0.3 . 1 . . . . . 76 GLY N . 50396 1 135 . 1 . 1 81 81 ASP H H 1 7.773 0.020 . 1 . . . . . 77 ASP H . 50396 1 136 . 1 . 1 81 81 ASP N N 15 119.441 0.3 . 1 . . . . . 77 ASP N . 50396 1 137 . 1 . 1 82 82 SER H H 1 7.779 0.020 . 1 . . . . . 78 SER H . 50396 1 138 . 1 . 1 82 82 SER N N 15 107.412 0.3 . 1 . . . . . 78 SER N . 50396 1 139 . 1 . 1 83 83 VAL H H 1 8.743 0.020 . 1 . . . . . 79 VAL H . 50396 1 140 . 1 . 1 83 83 VAL N N 15 117.582 0.3 . 1 . . . . . 79 VAL N . 50396 1 141 . 1 . 1 84 84 LEU H H 1 8.518 0.020 . 1 . . . . . 80 LEU H . 50396 1 142 . 1 . 1 84 84 LEU N N 15 131.78 0.3 . 1 . . . . . 80 LEU N . 50396 1 143 . 1 . 1 85 85 LEU H H 1 9.119 0.020 . 1 . . . . . 81 LEU H . 50396 1 144 . 1 . 1 85 85 LEU N N 15 130.958 0.3 . 1 . . . . . 81 LEU N . 50396 1 145 . 1 . 1 86 86 GLN H H 1 9.837 0.020 . 1 . . . . . 82 GLN H . 50396 1 146 . 1 . 1 86 86 GLN N N 15 121.377 0.3 . 1 . . . . . 82 GLN N . 50396 1 147 . 1 . 1 87 87 GLY H H 1 8.526 0.020 . 1 . . . . . 83 GLY H . 50396 1 148 . 1 . 1 87 87 GLY N N 15 104.571 0.3 . 1 . . . . . 83 GLY N . 50396 1 149 . 1 . 1 88 88 HIS H H 1 7.652 0.020 . 1 . . . . . 84 HIS H . 50396 1 150 . 1 . 1 88 88 HIS N N 15 114.169 0.3 . 1 . . . . . 84 HIS N . 50396 1 151 . 1 . 1 89 89 SER H H 1 8.588 0.020 . 1 . . . . . 85 SER H . 50396 1 152 . 1 . 1 89 89 SER N N 15 108.619 0.3 . 1 . . . . . 85 SER N . 50396 1 153 . 1 . 1 90 90 LEU H H 1 8.461 0.020 . 1 . . . . . 86 LEU H . 50396 1 154 . 1 . 1 90 90 LEU N N 15 122.858 0.3 . 1 . . . . . 86 LEU N . 50396 1 155 . 1 . 1 91 91 ALA H H 1 7.173 0.020 . 1 . . . . . 87 ALA H . 50396 1 156 . 1 . 1 91 91 ALA N N 15 115.687 0.3 . 1 . . . . . 87 ALA N . 50396 1 157 . 1 . 1 92 92 LYS H H 1 8.739 0.020 . 1 . . . . . 88 LYS H . 50396 1 158 . 1 . 1 92 92 LYS N N 15 122.381 0.3 . 1 . . . . . 88 LYS N . 50396 1 159 . 1 . 1 93 93 ASN H H 1 7.325 0.020 . 1 . . . . . 89 ASN H . 50396 1 160 . 1 . 1 93 93 ASN N N 15 108.277 0.3 . 1 . . . . . 89 ASN N . 50396 1 161 . 1 . 1 94 94 ILE H H 1 6.989 0.020 . 1 . . . . . 90 ILE H . 50396 1 162 . 1 . 1 94 94 ILE N N 15 119.512 0.3 . 1 . . . . . 90 ILE N . 50396 1 163 . 1 . 1 95 95 LEU H H 1 8.525 0.020 . 1 . . . . . 91 LEU H . 50396 1 164 . 1 . 1 95 95 LEU N N 15 129.899 0.3 . 1 . . . . . 91 LEU N . 50396 1 165 . 1 . 1 96 96 HIS H H 1 8.995 0.020 . 1 . . . . . 92 HIS H . 50396 1 166 . 1 . 1 96 96 HIS N N 15 129.587 0.3 . 1 . . . . . 92 HIS N . 50396 1 167 . 1 . 1 97 97 VAL H H 1 8.603 0.020 . 1 . . . . . 93 VAL H . 50396 1 168 . 1 . 1 97 97 VAL N N 15 120.019 0.3 . 1 . . . . . 93 VAL N . 50396 1 169 . 1 . 1 99 99 GLY H H 1 8.698 0.020 . 1 . . . . . 95 GLY H . 50396 1 170 . 1 . 1 99 99 GLY N N 15 115.606 0.3 . 1 . . . . . 95 GLY N . 50396 1 171 . 1 . 1 101 101 ASP H H 1 8.528 0.020 . 1 . . . . . 97 ASP H . 50396 1 172 . 1 . 1 101 101 ASP N N 15 120.235 0.3 . 1 . . . . . 97 ASP N . 50396 1 173 . 1 . 1 102 102 ALA H H 1 9.408 0.020 . 1 . . . . . 98 ALA H . 50396 1 174 . 1 . 1 102 102 ALA N N 15 130.22 0.3 . 1 . . . . . 98 ALA N . 50396 1 175 . 1 . 1 103 103 ARG H H 1 8.379 0.020 . 1 . . . . . 99 ARG H . 50396 1 176 . 1 . 1 103 103 ARG N N 15 119.277 0.3 . 1 . . . . . 99 ARG N . 50396 1 177 . 1 . 1 104 104 ALA H H 1 6.593 0.020 . 1 . . . . . 100 ALA H . 50396 1 178 . 1 . 1 104 104 ALA N N 15 118.66 0.3 . 1 . . . . . 100 ALA N . 50396 1 179 . 1 . 1 105 105 LYS H H 1 7.646 0.020 . 1 . . . . . 101 LYS H . 50396 1 180 . 1 . 1 105 105 LYS N N 15 113.314 0.3 . 1 . . . . . 101 LYS N . 50396 1 181 . 1 . 1 106 106 GLN H H 1 6.88 0.020 . 1 . . . . . 102 GLN H . 50396 1 182 . 1 . 1 106 106 GLN N N 15 116.548 0.3 . 1 . . . . . 102 GLN N . 50396 1 183 . 1 . 1 108 108 VAL H H 1 8.278 0.020 . 1 . . . . . 104 VAL H . 50396 1 184 . 1 . 1 108 108 VAL N N 15 127.991 0.3 . 1 . . . . . 104 VAL N . 50396 1 185 . 1 . 1 109 109 SER H H 1 8.265 0.020 . 1 . . . . . 105 SER H . 50396 1 186 . 1 . 1 109 109 SER N N 15 114.205 0.3 . 1 . . . . . 105 SER N . 50396 1 187 . 1 . 1 110 110 LEU H H 1 7.811 0.020 . 1 . . . . . 106 LEU H . 50396 1 188 . 1 . 1 110 110 LEU N N 15 124.994 0.3 . 1 . . . . . 106 LEU N . 50396 1 189 . 1 . 1 111 111 LEU H H 1 8.23 0.020 . 1 . . . . . 107 LEU H . 50396 1 190 . 1 . 1 111 111 LEU N N 15 120.608 0.3 . 1 . . . . . 107 LEU N . 50396 1 191 . 1 . 1 112 112 SER H H 1 7.623 0.020 . 1 . . . . . 108 SER H . 50396 1 192 . 1 . 1 112 112 SER N N 15 113.56 0.3 . 1 . . . . . 108 SER N . 50396 1 193 . 1 . 1 113 113 LYS H H 1 6.834 0.020 . 1 . . . . . 109 LYS H . 50396 1 194 . 1 . 1 113 113 LYS N N 15 119.815 0.3 . 1 . . . . . 109 LYS N . 50396 1 195 . 1 . 1 114 114 CYS H H 1 7.23 0.020 . 1 . . . . . 110 CYS H . 50396 1 196 . 1 . 1 114 114 CYS N N 15 117.675 0.3 . 1 . . . . . 110 CYS N . 50396 1 197 . 1 . 1 115 115 TYR H H 1 7.727 0.020 . 1 . . . . . 111 TYR H . 50396 1 198 . 1 . 1 115 115 TYR N N 15 113.707 0.3 . 1 . . . . . 111 TYR N . 50396 1 199 . 1 . 1 116 116 LYS H H 1 8.4 0.020 . 1 . . . . . 112 LYS H . 50396 1 200 . 1 . 1 116 116 LYS N N 15 119.729 0.3 . 1 . . . . . 112 LYS N . 50396 1 201 . 1 . 1 117 117 ALA H H 1 7.085 0.020 . 1 . . . . . 113 ALA H . 50396 1 202 . 1 . 1 117 117 ALA N N 15 119.488 0.3 . 1 . . . . . 113 ALA N . 50396 1 203 . 1 . 1 118 118 MET H H 1 7.299 0.020 . 1 . . . . . 114 MET H . 50396 1 204 . 1 . 1 118 118 MET N N 15 113.657 0.3 . 1 . . . . . 114 MET N . 50396 1 205 . 1 . 1 119 119 ASN H H 1 7.023 0.020 . 1 . . . . . 115 ASN H . 50396 1 206 . 1 . 1 119 119 ASN N N 15 110.865 0.3 . 1 . . . . . 115 ASN N . 50396 1 207 . 1 . 1 120 120 ALA H H 1 6.431 0.020 . 1 . . . . . 116 ALA H . 50396 1 208 . 1 . 1 120 120 ALA N N 15 119.974 0.3 . 1 . . . . . 116 ALA N . 50396 1 209 . 1 . 1 121 121 TYR H H 1 7.058 0.020 . 1 . . . . . 117 TYR H . 50396 1 210 . 1 . 1 121 121 TYR N N 15 118.968 0.3 . 1 . . . . . 117 TYR N . 50396 1 211 . 1 . 1 123 123 LEU H H 1 7.43 0.020 . 1 . . . . . 119 LEU H . 50396 1 212 . 1 . 1 123 123 LEU N N 15 118.079 0.3 . 1 . . . . . 119 LEU N . 50396 1 213 . 1 . 1 124 124 VAL H H 1 8.807 0.020 . 1 . . . . . 120 VAL H . 50396 1 214 . 1 . 1 124 124 VAL N N 15 130.403 0.3 . 1 . . . . . 120 VAL N . 50396 1 215 . 1 . 1 125 125 VAL H H 1 8.863 0.020 . 1 . . . . . 121 VAL H . 50396 1 216 . 1 . 1 125 125 VAL N N 15 127.763 0.3 . 1 . . . . . 121 VAL N . 50396 1 217 . 1 . 1 126 126 THR H H 1 8.995 0.020 . 1 . . . . . 122 THR H . 50396 1 218 . 1 . 1 126 126 THR N N 15 121.127 0.3 . 1 . . . . . 122 THR N . 50396 1 219 . 1 . 1 128 128 LEU H H 1 8.707 0.020 . 1 . . . . . 124 LEU H . 50396 1 220 . 1 . 1 128 128 LEU N N 15 117.288 0.3 . 1 . . . . . 124 LEU N . 50396 1 221 . 1 . 1 130 130 SER H H 1 8.982 0.020 . 1 . . . . . 126 SER H . 50396 1 222 . 1 . 1 130 130 SER N N 15 119.533 0.3 . 1 . . . . . 126 SER N . 50396 1 223 . 1 . 1 131 131 ALA H H 1 7.057 0.020 . 1 . . . . . 127 ALA H . 50396 1 224 . 1 . 1 131 131 ALA N N 15 118.011 0.3 . 1 . . . . . 127 ALA N . 50396 1 225 . 1 . 1 132 132 GLY H H 1 9.547 0.020 . 1 . . . . . 128 GLY H . 50396 1 226 . 1 . 1 132 132 GLY N N 15 113.693 0.3 . 1 . . . . . 128 GLY N . 50396 1 227 . 1 . 1 134 134 PHE H H 1 7.662 0.020 . 1 . . . . . 130 PHE H . 50396 1 228 . 1 . 1 134 134 PHE N N 15 118.802 0.3 . 1 . . . . . 130 PHE N . 50396 1 229 . 1 . 1 135 135 GLY H H 1 7.571 0.020 . 1 . . . . . 131 GLY H . 50396 1 230 . 1 . 1 135 135 GLY N N 15 102.4 0.3 . 1 . . . . . 131 GLY N . 50396 1 231 . 1 . 1 136 136 VAL H H 1 8.431 0.020 . 1 . . . . . 132 VAL H . 50396 1 232 . 1 . 1 136 136 VAL N N 15 123.291 0.3 . 1 . . . . . 132 VAL N . 50396 1 233 . 1 . 1 137 137 LYS H H 1 8.566 0.020 . 1 . . . . . 133 LYS H . 50396 1 234 . 1 . 1 137 137 LYS N N 15 127.779 0.3 . 1 . . . . . 133 LYS N . 50396 1 235 . 1 . 1 139 139 ALA H H 1 8.615 0.020 . 1 . . . . . 135 ALA H . 50396 1 236 . 1 . 1 139 139 ALA N N 15 115.218 0.3 . 1 . . . . . 135 ALA N . 50396 1 237 . 1 . 1 140 140 VAL H H 1 7.232 0.020 . 1 . . . . . 136 VAL H . 50396 1 238 . 1 . 1 140 140 VAL N N 15 118.213 0.3 . 1 . . . . . 136 VAL N . 50396 1 239 . 1 . 1 141 141 SER H H 1 7.291 0.020 . 1 . . . . . 137 SER H . 50396 1 240 . 1 . 1 141 141 SER N N 15 111.779 0.3 . 1 . . . . . 137 SER N . 50396 1 241 . 1 . 1 142 142 PHE H H 1 8.796 0.020 . 1 . . . . . 138 PHE H . 50396 1 242 . 1 . 1 142 142 PHE N N 15 116.752 0.3 . 1 . . . . . 138 PHE N . 50396 1 243 . 1 . 1 143 143 ASP H H 1 7.619 0.020 . 1 . . . . . 139 ASP H . 50396 1 244 . 1 . 1 143 143 ASP N N 15 118.217 0.3 . 1 . . . . . 139 ASP N . 50396 1 245 . 1 . 1 144 144 TYR H H 1 7.643 0.020 . 1 . . . . . 140 TYR H . 50396 1 246 . 1 . 1 144 144 TYR N N 15 115.427 0.3 . 1 . . . . . 140 TYR N . 50396 1 247 . 1 . 1 145 145 LEU H H 1 7.213 0.020 . 1 . . . . . 141 LEU H . 50396 1 248 . 1 . 1 145 145 LEU N N 15 121.721 0.3 . 1 . . . . . 141 LEU N . 50396 1 249 . 1 . 1 146 146 ILE H H 1 8.051 0.020 . 1 . . . . . 142 ILE H . 50396 1 250 . 1 . 1 146 146 ILE N N 15 116.741 0.3 . 1 . . . . . 142 ILE N . 50396 1 251 . 1 . 1 147 147 ARG H H 1 7.528 0.020 . 1 . . . . . 143 ARG H . 50396 1 252 . 1 . 1 147 147 ARG N N 15 118.238 0.3 . 1 . . . . . 143 ARG N . 50396 1 253 . 1 . 1 148 148 GLU H H 1 7.4 0.020 . 1 . . . . . 144 GLU H . 50396 1 254 . 1 . 1 148 148 GLU N N 15 113.967 0.3 . 1 . . . . . 144 GLU N . 50396 1 255 . 1 . 1 149 149 ALA H H 1 8.29 0.020 . 1 . . . . . 145 ALA H . 50396 1 256 . 1 . 1 149 149 ALA N N 15 122.258 0.3 . 1 . . . . . 145 ALA N . 50396 1 257 . 1 . 1 150 150 LYS H H 1 9.053 0.020 . 1 . . . . . 146 LYS H . 50396 1 258 . 1 . 1 150 150 LYS N N 15 122.821 0.3 . 1 . . . . . 146 LYS N . 50396 1 259 . 1 . 1 151 151 THR H H 1 7.008 0.020 . 1 . . . . . 147 THR H . 50396 1 260 . 1 . 1 151 151 THR N N 15 115.717 0.3 . 1 . . . . . 147 THR N . 50396 1 261 . 1 . 1 152 152 ARG H H 1 7.35 0.020 . 1 . . . . . 148 ARG H . 50396 1 262 . 1 . 1 152 152 ARG N N 15 120.397 0.3 . 1 . . . . . 148 ARG N . 50396 1 263 . 1 . 1 154 154 LEU H H 1 9.161 0.020 . 1 . . . . . 150 LEU H . 50396 1 264 . 1 . 1 154 154 LEU N N 15 129.373 0.3 . 1 . . . . . 150 LEU N . 50396 1 265 . 1 . 1 155 155 VAL H H 1 8.961 0.020 . 1 . . . . . 151 VAL H . 50396 1 266 . 1 . 1 155 155 VAL N N 15 124.864 0.3 . 1 . . . . . 151 VAL N . 50396 1 267 . 1 . 1 156 156 VAL H H 1 8.945 0.020 . 1 . . . . . 152 VAL H . 50396 1 268 . 1 . 1 156 156 VAL N N 15 128.623 0.3 . 1 . . . . . 152 VAL N . 50396 1 269 . 1 . 1 157 157 VAL H H 1 9.073 0.020 . 1 . . . . . 153 VAL H . 50396 1 270 . 1 . 1 157 157 VAL N N 15 122.014 0.3 . 1 . . . . . 153 VAL N . 50396 1 271 . 1 . 1 159 159 SER H H 1 7.108 0.020 . 1 . . . . . 155 SER H . 50396 1 272 . 1 . 1 159 159 SER N N 15 113.633 0.3 . 1 . . . . . 155 SER N . 50396 1 273 . 1 . 1 160 160 GLN H H 1 9.211 0.020 . 1 . . . . . 156 GLN H . 50396 1 274 . 1 . 1 160 160 GLN N N 15 130.235 0.3 . 1 . . . . . 156 GLN N . 50396 1 275 . 1 . 1 161 161 ASP H H 1 8.2 0.020 . 1 . . . . . 157 ASP H . 50396 1 276 . 1 . 1 161 161 ASP N N 15 119.108 0.3 . 1 . . . . . 157 ASP N . 50396 1 277 . 1 . 1 162 162 VAL H H 1 7.445 0.020 . 1 . . . . . 158 VAL H . 50396 1 278 . 1 . 1 162 162 VAL N N 15 121.909 0.3 . 1 . . . . . 158 VAL N . 50396 1 279 . 1 . 1 163 163 TYR H H 1 8.218 0.020 . 1 . . . . . 159 TYR H . 50396 1 280 . 1 . 1 163 163 TYR N N 15 120.936 0.3 . 1 . . . . . 159 TYR N . 50396 1 281 . 1 . 1 164 164 LYS H H 1 8.628 0.020 . 1 . . . . . 160 LYS H . 50396 1 282 . 1 . 1 164 164 LYS N N 15 118.887 0.3 . 1 . . . . . 160 LYS N . 50396 1 283 . 1 . 1 165 165 SER H H 1 7.527 0.020 . 1 . . . . . 161 SER H . 50396 1 284 . 1 . 1 165 165 SER N N 15 113.355 0.3 . 1 . . . . . 161 SER N . 50396 1 285 . 1 . 1 166 166 LEU H H 1 7.177 0.020 . 1 . . . . . 162 LEU H . 50396 1 286 . 1 . 1 166 166 LEU N N 15 118.845 0.3 . 1 . . . . . 162 LEU N . 50396 1 287 . 1 . 1 167 167 THR H H 1 7.057 0.020 . 1 . . . . . 163 THR H . 50396 1 288 . 1 . 1 167 167 THR N N 15 106.128 0.3 . 1 . . . . . 163 THR N . 50396 1 289 . 1 . 1 168 168 ILE H H 1 6.981 0.020 . 1 . . . . . 164 ILE H . 50396 1 290 . 1 . 1 168 168 ILE N N 15 125.822 0.3 . 1 . . . . . 164 ILE N . 50396 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 50396 _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' . . . 50396 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 . . 50396 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 7.978 0.020 . 1 . . . . . 2 LEU H . 50396 2 2 . 1 . 1 6 6 LEU N N 15 116.503 0.3 . 1 . . . . . 2 LEU N . 50396 2 3 . 1 . 1 7 7 SER H H 1 7.824 0.020 . 1 . . . . . 3 SER H . 50396 2 4 . 1 . 1 7 7 SER N N 15 113.739 0.3 . 1 . . . . . 3 SER N . 50396 2 5 . 1 . 1 8 8 ASN H H 1 7.907 0.020 . 1 . . . . . 4 ASN H . 50396 2 6 . 1 . 1 8 8 ASN N N 15 116.873 0.3 . 1 . . . . . 4 ASN N . 50396 2 7 . 1 . 1 9 9 PHE H H 1 8.043 0.020 . 1 . . . . . 5 PHE H . 50396 2 8 . 1 . 1 9 9 PHE N N 15 117.829 0.3 . 1 . . . . . 5 PHE N . 50396 2 9 . 1 . 1 10 10 GLU H H 1 9.436 0.020 . 1 . . . . . 6 GLU H . 50396 2 10 . 1 . 1 10 10 GLU N N 15 128.764 0.3 . 1 . . . . . 6 GLU N . 50396 2 11 . 1 . 1 11 11 HIS H H 1 8.175 0.020 . 1 . . . . . 7 HIS H . 50396 2 12 . 1 . 1 11 11 HIS N N 15 121.805 0.3 . 1 . . . . . 7 HIS N . 50396 2 13 . 1 . 1 12 12 LYS H H 1 9.195 0.020 . 1 . . . . . 8 LYS H . 50396 2 14 . 1 . 1 12 12 LYS N N 15 118.933 0.3 . 1 . . . . . 8 LYS N . 50396 2 15 . 1 . 1 14 14 ILE H H 1 8.846 0.020 . 1 . . . . . 10 ILE H . 50396 2 16 . 1 . 1 14 14 ILE N N 15 129.813 0.3 . 1 . . . . . 10 ILE N . 50396 2 17 . 1 . 1 15 15 THR H H 1 8.463 0.020 . 1 . . . . . 11 THR H . 50396 2 18 . 1 . 1 15 15 THR N N 15 110.092 0.3 . 1 . . . . . 11 THR N . 50396 2 19 . 1 . 1 16 16 GLU H H 1 8.961 0.3 . 1 . . . . . 12 GLU H . 50396 2 20 . 1 . 1 16 16 GLU N N 15 116.616 0.3 . 1 . . . . . 12 GLU N . 50396 2 21 . 1 . 1 17 17 CYS H H 1 7.637 0.020 . 1 . . . . . 13 CYS H . 50396 2 22 . 1 . 1 17 17 CYS N N 15 112.672 0.3 . 1 . . . . . 13 CYS N . 50396 2 23 . 1 . 1 19 19 THR H H 1 8.479 0.020 . 1 . . . . . 15 THR H . 50396 2 24 . 1 . 1 19 19 THR N N 15 126.663 0.3 . 1 . . . . . 15 THR N . 50396 2 25 . 1 . 1 20 20 ILE H H 1 9.096 0.020 . 1 . . . . . 16 ILE H . 50396 2 26 . 1 . 1 20 20 ILE N N 15 126.173 0.3 . 1 . . . . . 16 ILE N . 50396 2 27 . 1 . 1 21 21 VAL H H 1 9.539 0.020 . 1 . . . . . 17 VAL H . 50396 2 28 . 1 . 1 21 21 VAL N N 15 127.884 0.3 . 1 . . . . . 17 VAL N . 50396 2 29 . 1 . 1 22 22 LEU H H 1 8.356 0.020 . 1 . . . . . 18 LEU H . 50396 2 30 . 1 . 1 22 22 LEU N N 15 129.769 0.3 . 1 . . . . . 18 LEU N . 50396 2 31 . 1 . 1 23 23 GLY H H 1 8.482 0.020 . 1 . . . . . 19 GLY H . 50396 2 32 . 1 . 1 23 23 GLY N N 15 113.217 0.3 . 1 . . . . . 19 GLY N . 50396 2 33 . 1 . 1 24 24 ASP H H 1 7.727 0.020 . 1 . . . . . 20 ASP H . 50396 2 34 . 1 . 1 24 24 ASP N N 15 119.707 0.3 . 1 . . . . . 20 ASP N . 50396 2 35 . 1 . 1 26 26 ILE H H 1 7.992 0.020 . 1 . . . . . 22 ILE H . 50396 2 36 . 1 . 1 26 26 ILE N N 15 115.818 0.3 . 1 . . . . . 22 ILE N . 50396 2 37 . 1 . 1 27 27 GLN H H 1 7.471 0.020 . 1 . . . . . 23 GLN H . 50396 2 38 . 1 . 1 27 27 GLN N N 15 119.542 0.3 . 1 . . . . . 23 GLN N . 50396 2 39 . 1 . 1 28 28 VAL H H 1 8.017 0.020 . 1 . . . . . 24 VAL H . 50396 2 40 . 1 . 1 28 28 VAL N N 15 119.466 0.3 . 1 . . . . . 24 VAL N . 50396 2 41 . 1 . 1 29 29 ALA H H 1 8.233 0.020 . 1 . . . . . 25 ALA H . 50396 2 42 . 1 . 1 29 29 ALA N N 15 120.574 0.3 . 1 . . . . . 25 ALA N . 50396 2 43 . 1 . 1 30 30 LYS H H 1 7.634 0.020 . 1 . . . . . 26 LYS H . 50396 2 44 . 1 . 1 30 30 LYS N N 15 115.881 0.3 . 1 . . . . . 26 LYS N . 50396 2 45 . 1 . 1 31 31 CYS H H 1 7.636 0.020 . 1 . . . . . 27 CYS H . 50396 2 46 . 1 . 1 31 31 CYS N N 15 115.29 0.3 . 1 . . . . . 27 CYS N . 50396 2 47 . 1 . 1 32 32 TYR H H 1 7.607 0.020 . 1 . . . . . 28 TYR H . 50396 2 48 . 1 . 1 32 32 TYR N N 15 117.904 0.3 . 1 . . . . . 28 TYR N . 50396 2 49 . 1 . 1 33 33 GLY H H 1 8.745 0.020 . 1 . . . . . 29 GLY H . 50396 2 50 . 1 . 1 33 33 GLY N N 15 112.886 0.3 . 1 . . . . . 29 GLY N . 50396 2 51 . 1 . 1 34 34 GLU H H 1 9.038 0.020 . 1 . . . . . 30 GLU H . 50396 2 52 . 1 . 1 34 34 GLU N N 15 117.715 0.3 . 1 . . . . . 30 GLU N . 50396 2 53 . 1 . 1 35 35 SER H H 1 7.987 0.020 . 1 . . . . . 31 SER H . 50396 2 54 . 1 . 1 35 35 SER N N 15 115.278 0.3 . 1 . . . . . 31 SER N . 50396 2 55 . 1 . 1 36 36 VAL H H 1 7.667 0.020 . 1 . . . . . 32 VAL H . 50396 2 56 . 1 . 1 36 36 VAL N N 15 119.472 0.3 . 1 . . . . . 32 VAL N . 50396 2 57 . 1 . 1 37 37 LEU H H 1 7.464 0.020 . 1 . . . . . 33 LEU H . 50396 2 58 . 1 . 1 37 37 LEU N N 15 128.825 0.3 . 1 . . . . . 33 LEU N . 50396 2 59 . 1 . 1 39 39 ASN H H 1 8.293 0.020 . 1 . . . . . 35 ASN H . 50396 2 60 . 1 . 1 39 39 ASN N N 15 119.244 0.3 . 1 . . . . . 35 ASN N . 50396 2 61 . 1 . 1 40 40 ALA H H 1 6.343 0.020 . 1 . . . . . 36 ALA H . 50396 2 62 . 1 . 1 40 40 ALA N N 15 131.073 0.3 . 1 . . . . . 36 ALA N . 50396 2 63 . 1 . 1 41 41 ALA H H 1 8.378 0.020 . 1 . . . . . 37 ALA H . 50396 2 64 . 1 . 1 41 41 ALA N N 15 128.823 0.3 . 1 . . . . . 37 ALA N . 50396 2 65 . 1 . 1 42 42 ASN H H 1 7.348 0.020 . 1 . . . . . 38 ASN H . 50396 2 66 . 1 . 1 42 42 ASN N N 15 112.765 0.3 . 1 . . . . . 38 ASN N . 50396 2 67 . 1 . 1 43 43 THR H H 1 8.235 0.020 . 1 . . . . . 39 THR H . 50396 2 68 . 1 . 1 43 43 THR N N 15 107.64 0.3 . 1 . . . . . 39 THR N . 50396 2 69 . 1 . 1 44 44 HIS H H 1 7.321 0.020 . 1 . . . . . 40 HIS H . 50396 2 70 . 1 . 1 44 44 HIS N N 15 115.447 0.3 . 1 . . . . . 40 HIS N . 50396 2 71 . 1 . 1 45 45 LEU H H 1 8.105 0.020 . 1 . . . . . 41 LEU H . 50396 2 72 . 1 . 1 45 45 LEU N N 15 115.045 0.3 . 1 . . . . . 41 LEU N . 50396 2 73 . 1 . 1 46 46 LYS H H 1 8.151 0.020 . 1 . . . . . 42 LYS H . 50396 2 74 . 1 . 1 46 46 LYS N N 15 115.994 0.3 . 1 . . . . . 42 LYS N . 50396 2 75 . 1 . 1 48 48 GLY H H 1 8.026 0.020 . 1 . . . . . 44 GLY H . 50396 2 76 . 1 . 1 48 48 GLY N N 15 110.202 0.3 . 1 . . . . . 44 GLY N . 50396 2 77 . 1 . 1 49 49 GLY H H 1 8.084 0.020 . 1 . . . . . 45 GLY H . 50396 2 78 . 1 . 1 49 49 GLY N N 15 108.792 0.3 . 1 . . . . . 45 GLY N . 50396 2 79 . 1 . 1 51 51 ILE H H 1 8.691 0.020 . 1 . . . . . 47 ILE H . 50396 2 80 . 1 . 1 51 51 ILE N N 15 126.059 0.3 . 1 . . . . . 47 ILE N . 50396 2 81 . 1 . 1 52 52 ALA H H 1 8.6 0.020 . 1 . . . . . 48 ALA H . 50396 2 82 . 1 . 1 52 52 ALA N N 15 127.232 0.3 . 1 . . . . . 48 ALA N . 50396 2 83 . 1 . 1 53 53 GLY H H 1 7.745 0.020 . 1 . . . . . 49 GLY H . 50396 2 84 . 1 . 1 53 53 GLY N N 15 105.531 0.3 . 1 . . . . . 49 GLY N . 50396 2 85 . 1 . 1 54 54 ALA H H 1 7.728 0.3 . 1 . . . . . 50 ALA H . 50396 2 86 . 1 . 1 54 54 ALA N N 15 126.862 0.3 . 1 . . . . . 50 ALA N . 50396 2 87 . 1 . 1 55 55 ILE H H 1 9.064 0.020 . 1 . . . . . 51 ILE H . 50396 2 88 . 1 . 1 55 55 ILE N N 15 122.628 0.3 . 1 . . . . . 51 ILE N . 50396 2 89 . 1 . 1 56 56 ASN H H 1 8.531 0.020 . 1 . . . . . 52 ASN H . 50396 2 90 . 1 . 1 56 56 ASN N N 15 117.5 0.3 . 1 . . . . . 52 ASN N . 50396 2 91 . 1 . 1 57 57 ALA H H 1 8.747 0.020 . 1 . . . . . 53 ALA H . 50396 2 92 . 1 . 1 57 57 ALA N N 15 124.113 0.3 . 1 . . . . . 53 ALA N . 50396 2 93 . 1 . 1 58 58 ALA H H 1 8.322 0.020 . 1 . . . . . 54 ALA H . 50396 2 94 . 1 . 1 58 58 ALA N N 15 123.004 0.3 . 1 . . . . . 54 ALA N . 50396 2 95 . 1 . 1 59 59 SER H H 1 7.837 0.020 . 1 . . . . . 55 SER H . 50396 2 96 . 1 . 1 59 59 SER N N 15 111.516 0.3 . 1 . . . . . 55 SER N . 50396 2 97 . 1 . 1 60 60 LYS H H 1 8.46 0.020 . 1 . . . . . 56 LYS H . 50396 2 98 . 1 . 1 60 60 LYS N N 15 121.684 0.3 . 1 . . . . . 56 LYS N . 50396 2 99 . 1 . 1 61 61 GLY H H 1 7.864 0.020 . 1 . . . . . 57 GLY H . 50396 2 100 . 1 . 1 61 61 GLY N N 15 104.06 0.3 . 1 . . . . . 57 GLY N . 50396 2 101 . 1 . 1 62 62 ALA H H 1 7.758 0.020 . 1 . . . . . 58 ALA H . 50396 2 102 . 1 . 1 62 62 ALA N N 15 125.91 0.3 . 1 . . . . . 58 ALA N . 50396 2 103 . 1 . 1 63 63 VAL H H 1 8.093 0.020 . 1 . . . . . 59 VAL H . 50396 2 104 . 1 . 1 63 63 VAL N N 15 117.553 0.3 . 1 . . . . . 59 VAL N . 50396 2 105 . 1 . 1 64 64 GLN H H 1 8.153 0.020 . 1 . . . . . 60 GLN H . 50396 2 106 . 1 . 1 64 64 GLN N N 15 123.336 0.3 . 1 . . . . . 60 GLN N . 50396 2 107 . 1 . 1 66 66 GLU H H 1 7.832 0.020 . 1 . . . . . 62 GLU H . 50396 2 108 . 1 . 1 66 66 GLU N N 15 119.183 0.3 . 1 . . . . . 62 GLU N . 50396 2 109 . 1 . 1 67 67 SER H H 1 8.364 0.020 . 1 . . . . . 63 SER H . 50396 2 110 . 1 . 1 67 67 SER N N 15 117.291 0.3 . 1 . . . . . 63 SER N . 50396 2 111 . 1 . 1 68 68 ASP H H 1 8.872 0.020 . 1 . . . . . 64 ASP H . 50396 2 112 . 1 . 1 68 68 ASP N N 15 123.142 0.3 . 1 . . . . . 64 ASP N . 50396 2 113 . 1 . 1 70 70 TYR H H 1 8.12 0.3 . 1 . . . . . 66 TYR H . 50396 2 114 . 1 . 1 70 70 TYR N N 15 122.837 0.3 . 1 . . . . . 66 TYR N . 50396 2 115 . 1 . 1 71 71 ILE H H 1 8.583 0.020 . 1 . . . . . 67 ILE H . 50396 2 116 . 1 . 1 71 71 ILE N N 15 120.223 0.3 . 1 . . . . . 67 ILE N . 50396 2 117 . 1 . 1 72 72 LEU H H 1 7.929 0.020 . 1 . . . . . 68 LEU H . 50396 2 118 . 1 . 1 72 72 LEU N N 15 121.292 0.3 . 1 . . . . . 68 LEU N . 50396 2 119 . 1 . 1 73 73 ALA H H 1 7.324 0.020 . 1 . . . . . 69 ALA H . 50396 2 120 . 1 . 1 73 73 ALA N N 15 118.898 0.3 . 1 . . . . . 69 ALA N . 50396 2 121 . 1 . 1 74 74 LYS H H 1 8.428 0.020 . 1 . . . . . 70 LYS H . 50396 2 122 . 1 . 1 74 74 LYS N N 15 115.786 0.3 . 1 . . . . . 70 LYS N . 50396 2 123 . 1 . 1 75 75 GLY H H 1 8.113 0.020 . 1 . . . . . 71 GLY H . 50396 2 124 . 1 . 1 75 75 GLY N N 15 110.737 0.3 . 1 . . . . . 71 GLY N . 50396 2 125 . 1 . 1 77 77 LEU H H 1 8.358 0.020 . 1 . . . . . 73 LEU H . 50396 2 126 . 1 . 1 77 77 LEU N N 15 123.128 0.3 . 1 . . . . . 73 LEU N . 50396 2 127 . 1 . 1 78 78 GLN H H 1 8.458 0.020 . 1 . . . . . 74 GLN H . 50396 2 128 . 1 . 1 78 78 GLN N N 15 117.08 0.3 . 1 . . . . . 74 GLN N . 50396 2 129 . 1 . 1 79 79 VAL H H 1 8.184 0.020 . 1 . . . . . 75 VAL H . 50396 2 130 . 1 . 1 79 79 VAL N N 15 120.42 0.3 . 1 . . . . . 75 VAL N . 50396 2 131 . 1 . 1 80 80 GLY H H 1 9.228 0.020 . 1 . . . . . 76 GLY H . 50396 2 132 . 1 . 1 80 80 GLY N N 15 118.184 0.3 . 1 . . . . . 76 GLY N . 50396 2 133 . 1 . 1 81 81 ASP H H 1 7.964 0.020 . 1 . . . . . 77 ASP H . 50396 2 134 . 1 . 1 81 81 ASP N N 15 119.839 0.3 . 1 . . . . . 77 ASP N . 50396 2 135 . 1 . 1 82 82 SER H H 1 7.895 0.020 . 1 . . . . . 78 SER H . 50396 2 136 . 1 . 1 82 82 SER N N 15 108.157 0.3 . 1 . . . . . 78 SER N . 50396 2 137 . 1 . 1 83 83 VAL H H 1 8.752 0.020 . 1 . . . . . 79 VAL H . 50396 2 138 . 1 . 1 83 83 VAL N N 15 117.663 0.3 . 1 . . . . . 79 VAL N . 50396 2 139 . 1 . 1 84 84 LEU H H 1 8.577 0.020 . 1 . . . . . 80 LEU H . 50396 2 140 . 1 . 1 84 84 LEU N N 15 131.948 0.3 . 1 . . . . . 80 LEU N . 50396 2 141 . 1 . 1 85 85 LEU H H 1 9.202 0.020 . 1 . . . . . 81 LEU H . 50396 2 142 . 1 . 1 85 85 LEU N N 15 130.939 0.3 . 1 . . . . . 81 LEU N . 50396 2 143 . 1 . 1 86 86 GLN H H 1 9.876 0.020 . 1 . . . . . 82 GLN H . 50396 2 144 . 1 . 1 86 86 GLN N N 15 121.415 0.3 . 1 . . . . . 82 GLN N . 50396 2 145 . 1 . 1 87 87 GLY H H 1 8.56 0.020 . 1 . . . . . 83 GLY H . 50396 2 146 . 1 . 1 87 87 GLY N N 15 104.515 0.3 . 1 . . . . . 83 GLY N . 50396 2 147 . 1 . 1 88 88 HIS H H 1 7.744 0.020 . 1 . . . . . 84 HIS H . 50396 2 148 . 1 . 1 88 88 HIS N N 15 114.169 0.3 . 1 . . . . . 84 HIS N . 50396 2 149 . 1 . 1 89 89 SER H H 1 8.63 0.020 . 1 . . . . . 85 SER H . 50396 2 150 . 1 . 1 89 89 SER N N 15 108.894 0.3 . 1 . . . . . 85 SER N . 50396 2 151 . 1 . 1 90 90 LEU H H 1 8.494 0.020 . 1 . . . . . 86 LEU H . 50396 2 152 . 1 . 1 90 90 LEU N N 15 122.698 0.3 . 1 . . . . . 86 LEU N . 50396 2 153 . 1 . 1 91 91 ALA H H 1 7.295 0.020 . 1 . . . . . 87 ALA H . 50396 2 154 . 1 . 1 91 91 ALA N N 15 115.793 0.3 . 1 . . . . . 87 ALA N . 50396 2 155 . 1 . 1 92 92 LYS H H 1 8.843 0.020 . 1 . . . . . 88 LYS H . 50396 2 156 . 1 . 1 92 92 LYS N N 15 122.381 0.3 . 1 . . . . . 88 LYS N . 50396 2 157 . 1 . 1 93 93 ASN H H 1 7.443 0.020 . 1 . . . . . 89 ASN H . 50396 2 158 . 1 . 1 93 93 ASN N N 15 108.463 0.3 . 1 . . . . . 89 ASN N . 50396 2 159 . 1 . 1 94 94 ILE H H 1 7.104 0.020 . 1 . . . . . 90 ILE H . 50396 2 160 . 1 . 1 94 94 ILE N N 15 119.6 0.3 . 1 . . . . . 90 ILE N . 50396 2 161 . 1 . 1 95 95 LEU H H 1 8.638 0.020 . 1 . . . . . 91 LEU H . 50396 2 162 . 1 . 1 95 95 LEU N N 15 129.867 0.3 . 1 . . . . . 91 LEU N . 50396 2 163 . 1 . 1 96 96 HIS H H 1 9.184 0.020 . 1 . . . . . 92 HIS H . 50396 2 164 . 1 . 1 96 96 HIS N N 15 130.067 0.3 . 1 . . . . . 92 HIS N . 50396 2 165 . 1 . 1 97 97 VAL H H 1 8.638 0.020 . 1 . . . . . 93 VAL H . 50396 2 166 . 1 . 1 97 97 VAL N N 15 120.942 0.3 . 1 . . . . . 93 VAL N . 50396 2 167 . 1 . 1 98 98 VAL H H 1 8.162 0.020 . 1 . . . . . 94 VAL H . 50396 2 168 . 1 . 1 98 98 VAL N N 15 126.446 0.3 . 1 . . . . . 94 VAL N . 50396 2 169 . 1 . 1 99 99 GLY H H 1 8.877 0.020 . 1 . . . . . 95 GLY H . 50396 2 170 . 1 . 1 99 99 GLY N N 15 114.574 0.3 . 1 . . . . . 95 GLY N . 50396 2 171 . 1 . 1 101 101 ASP H H 1 8.709 0.020 . 1 . . . . . 97 ASP H . 50396 2 172 . 1 . 1 101 101 ASP N N 15 120.796 0.3 . 1 . . . . . 97 ASP N . 50396 2 173 . 1 . 1 102 102 ALA H H 1 9.359 0.020 . 1 . . . . . 98 ALA H . 50396 2 174 . 1 . 1 102 102 ALA N N 15 130.075 0.3 . 1 . . . . . 98 ALA N . 50396 2 175 . 1 . 1 103 103 ARG H H 1 8.498 0.020 . 1 . . . . . 99 ARG H . 50396 2 176 . 1 . 1 103 103 ARG N N 15 119.451 0.3 . 1 . . . . . 99 ARG N . 50396 2 177 . 1 . 1 104 104 ALA H H 1 6.807 0.020 . 1 . . . . . 100 ALA H . 50396 2 178 . 1 . 1 104 104 ALA N N 15 118.975 0.3 . 1 . . . . . 100 ALA N . 50396 2 179 . 1 . 1 105 105 LYS H H 1 7.777 0.020 . 1 . . . . . 101 LYS H . 50396 2 180 . 1 . 1 105 105 LYS N N 15 113.373 0.3 . 1 . . . . . 101 LYS N . 50396 2 181 . 1 . 1 108 108 VAL H H 1 8.319 0.020 . 1 . . . . . 104 VAL H . 50396 2 182 . 1 . 1 108 108 VAL N N 15 127.644 0.3 . 1 . . . . . 104 VAL N . 50396 2 183 . 1 . 1 109 109 SER H H 1 8.412 0.020 . 1 . . . . . 105 SER H . 50396 2 184 . 1 . 1 109 109 SER N N 15 114.567 0.3 . 1 . . . . . 105 SER N . 50396 2 185 . 1 . 1 110 110 LEU H H 1 7.822 0.020 . 1 . . . . . 106 LEU H . 50396 2 186 . 1 . 1 110 110 LEU N N 15 124.415 0.3 . 1 . . . . . 106 LEU N . 50396 2 187 . 1 . 1 111 111 LEU H H 1 8.299 0.020 . 1 . . . . . 107 LEU H . 50396 2 188 . 1 . 1 111 111 LEU N N 15 119.914 0.3 . 1 . . . . . 107 LEU N . 50396 2 189 . 1 . 1 112 112 SER H H 1 7.687 0.020 . 1 . . . . . 108 SER H . 50396 2 190 . 1 . 1 112 112 SER N N 15 113.663 0.3 . 1 . . . . . 108 SER N . 50396 2 191 . 1 . 1 113 113 LYS H H 1 6.962 0.020 . 1 . . . . . 109 LYS H . 50396 2 192 . 1 . 1 113 113 LYS N N 15 120.003 0.3 . 1 . . . . . 109 LYS N . 50396 2 193 . 1 . 1 114 114 CYS H H 1 7.389 0.020 . 1 . . . . . 110 CYS H . 50396 2 194 . 1 . 1 114 114 CYS N N 15 117.509 0.3 . 1 . . . . . 110 CYS N . 50396 2 195 . 1 . 1 115 115 TYR H H 1 7.828 0.020 . 1 . . . . . 111 TYR H . 50396 2 196 . 1 . 1 115 115 TYR N N 15 113.032 0.3 . 1 . . . . . 111 TYR N . 50396 2 197 . 1 . 1 116 116 LYS H H 1 8.495 0.020 . 1 . . . . . 112 LYS H . 50396 2 198 . 1 . 1 116 116 LYS N N 15 119.802 0.3 . 1 . . . . . 112 LYS N . 50396 2 199 . 1 . 1 117 117 ALA H H 1 7.208 0.020 . 1 . . . . . 113 ALA H . 50396 2 200 . 1 . 1 117 117 ALA N N 15 119.536 0.3 . 1 . . . . . 113 ALA N . 50396 2 201 . 1 . 1 118 118 MET H H 1 7.42 0.020 . 1 . . . . . 114 MET H . 50396 2 202 . 1 . 1 118 118 MET N N 15 113.743 0.3 . 1 . . . . . 114 MET N . 50396 2 203 . 1 . 1 119 119 ASN H H 1 7.121 0.020 . 1 . . . . . 115 ASN H . 50396 2 204 . 1 . 1 119 119 ASN N N 15 111.063 0.3 . 1 . . . . . 115 ASN N . 50396 2 205 . 1 . 1 120 120 ALA H H 1 6.53 0.020 . 1 . . . . . 116 ALA H . 50396 2 206 . 1 . 1 120 120 ALA N N 15 119.977 0.3 . 1 . . . . . 116 ALA N . 50396 2 207 . 1 . 1 121 121 TYR H H 1 7.13 0.020 . 1 . . . . . 117 TYR H . 50396 2 208 . 1 . 1 121 121 TYR N N 15 118.911 0.3 . 1 . . . . . 117 TYR N . 50396 2 209 . 1 . 1 123 123 LEU H H 1 7.466 0.020 . 1 . . . . . 119 LEU H . 50396 2 210 . 1 . 1 123 123 LEU N N 15 118.142 0.3 . 1 . . . . . 119 LEU N . 50396 2 211 . 1 . 1 124 124 VAL H H 1 8.91 0.020 . 1 . . . . . 120 VAL H . 50396 2 212 . 1 . 1 124 124 VAL N N 15 130.047 0.3 . 1 . . . . . 120 VAL N . 50396 2 213 . 1 . 1 125 125 VAL H H 1 8.908 0.020 . 1 . . . . . 121 VAL H . 50396 2 214 . 1 . 1 125 125 VAL N N 15 127.826 0.3 . 1 . . . . . 121 VAL N . 50396 2 215 . 1 . 1 126 126 THR H H 1 9.134 0.020 . 1 . . . . . 122 THR H . 50396 2 216 . 1 . 1 126 126 THR N N 15 121.387 0.3 . 1 . . . . . 122 THR N . 50396 2 217 . 1 . 1 128 128 LEU H H 1 8.672 0.020 . 1 . . . . . 124 LEU H . 50396 2 218 . 1 . 1 128 128 LEU N N 15 117.276 0.3 . 1 . . . . . 124 LEU N . 50396 2 219 . 1 . 1 129 129 VAL H H 1 7.733 0.020 . 1 . . . . . 125 VAL H . 50396 2 220 . 1 . 1 129 129 VAL N N 15 129.714 0.3 . 1 . . . . . 125 VAL N . 50396 2 221 . 1 . 1 130 130 SER H H 1 8.826 0.020 . 1 . . . . . 126 SER H . 50396 2 222 . 1 . 1 130 130 SER N N 15 117.966 0.3 . 1 . . . . . 126 SER N . 50396 2 223 . 1 . 1 131 131 ALA H H 1 7.152 0.020 . 1 . . . . . 127 ALA H . 50396 2 224 . 1 . 1 131 131 ALA N N 15 120.185 0.3 . 1 . . . . . 127 ALA N . 50396 2 225 . 1 . 1 132 132 GLY H H 1 8.816 0.020 . 1 . . . . . 128 GLY H . 50396 2 226 . 1 . 1 132 132 GLY N N 15 112.117 0.3 . 1 . . . . . 128 GLY N . 50396 2 227 . 1 . 1 134 134 PHE H H 1 7.907 0.020 . 1 . . . . . 130 PHE H . 50396 2 228 . 1 . 1 134 134 PHE N N 15 118.981 0.3 . 1 . . . . . 130 PHE N . 50396 2 229 . 1 . 1 135 135 GLY H H 1 7.844 0.020 . 1 . . . . . 131 GLY H . 50396 2 230 . 1 . 1 135 135 GLY N N 15 102.617 0.3 . 1 . . . . . 131 GLY N . 50396 2 231 . 1 . 1 136 136 VAL H H 1 8.447 0.020 . 1 . . . . . 132 VAL H . 50396 2 232 . 1 . 1 136 136 VAL N N 15 122.844 0.3 . 1 . . . . . 132 VAL N . 50396 2 233 . 1 . 1 137 137 LYS H H 1 8.767 0.020 . 1 . . . . . 133 LYS H . 50396 2 234 . 1 . 1 137 137 LYS N N 15 128.916 0.3 . 1 . . . . . 133 LYS N . 50396 2 235 . 1 . 1 139 139 ALA H H 1 8.682 0.020 . 1 . . . . . 135 ALA H . 50396 2 236 . 1 . 1 139 139 ALA N N 15 115.676 0.3 . 1 . . . . . 135 ALA N . 50396 2 237 . 1 . 1 140 140 VAL H H 1 7.258 0.020 . 1 . . . . . 136 VAL H . 50396 2 238 . 1 . 1 140 140 VAL N N 15 118.14 0.3 . 1 . . . . . 136 VAL N . 50396 2 239 . 1 . 1 141 141 SER H H 1 7.503 0.020 . 1 . . . . . 137 SER H . 50396 2 240 . 1 . 1 141 141 SER N N 15 111.424 0.3 . 1 . . . . . 137 SER N . 50396 2 241 . 1 . 1 142 142 PHE H H 1 8.923 0.020 . 1 . . . . . 138 PHE H . 50396 2 242 . 1 . 1 142 142 PHE N N 15 117.081 0.3 . 1 . . . . . 138 PHE N . 50396 2 243 . 1 . 1 143 143 ASP H H 1 7.714 0.020 . 1 . . . . . 139 ASP H . 50396 2 244 . 1 . 1 143 143 ASP N N 15 118.541 0.3 . 1 . . . . . 139 ASP N . 50396 2 245 . 1 . 1 144 144 TYR H H 1 7.683 0.020 . 1 . . . . . 140 TYR H . 50396 2 246 . 1 . 1 144 144 TYR N N 15 115.252 0.3 . 1 . . . . . 140 TYR N . 50396 2 247 . 1 . 1 145 145 LEU H H 1 7.292 0.020 . 1 . . . . . 141 LEU H . 50396 2 248 . 1 . 1 145 145 LEU N N 15 121.59 0.3 . 1 . . . . . 141 LEU N . 50396 2 249 . 1 . 1 146 146 ILE H H 1 8.154 0.020 . 1 . . . . . 142 ILE H . 50396 2 250 . 1 . 1 146 146 ILE N N 15 117.079 0.3 . 1 . . . . . 142 ILE N . 50396 2 251 . 1 . 1 147 147 ARG H H 1 7.598 0.020 . 1 . . . . . 143 ARG H . 50396 2 252 . 1 . 1 147 147 ARG N N 15 118.36 0.3 . 1 . . . . . 143 ARG N . 50396 2 253 . 1 . 1 148 148 GLU H H 1 7.504 0.020 . 1 . . . . . 144 GLU H . 50396 2 254 . 1 . 1 148 148 GLU N N 15 113.984 0.3 . 1 . . . . . 144 GLU N . 50396 2 255 . 1 . 1 149 149 ALA H H 1 8.367 0.020 . 1 . . . . . 145 ALA H . 50396 2 256 . 1 . 1 149 149 ALA N N 15 122.142 0.3 . 1 . . . . . 145 ALA N . 50396 2 257 . 1 . 1 150 150 LYS H H 1 9.148 0.020 . 1 . . . . . 146 LYS H . 50396 2 258 . 1 . 1 150 150 LYS N N 15 122.821 0.3 . 1 . . . . . 146 LYS N . 50396 2 259 . 1 . 1 151 151 THR H H 1 7.144 0.020 . 1 . . . . . 147 THR H . 50396 2 260 . 1 . 1 151 151 THR N N 15 115.698 0.3 . 1 . . . . . 147 THR N . 50396 2 261 . 1 . 1 152 152 ARG H H 1 7.467 0.020 . 1 . . . . . 148 ARG H . 50396 2 262 . 1 . 1 152 152 ARG N N 15 120.223 0.3 . 1 . . . . . 148 ARG N . 50396 2 263 . 1 . 1 153 153 VAL H H 1 8.749 0.020 . 1 . . . . . 149 VAL H . 50396 2 264 . 1 . 1 153 153 VAL N N 15 126.08 0.3 . 1 . . . . . 149 VAL N . 50396 2 265 . 1 . 1 154 154 LEU H H 1 9.265 0.020 . 1 . . . . . 150 LEU H . 50396 2 266 . 1 . 1 154 154 LEU N N 15 129.249 0.3 . 1 . . . . . 150 LEU N . 50396 2 267 . 1 . 1 155 155 VAL H H 1 9.053 0.020 . 1 . . . . . 151 VAL H . 50396 2 268 . 1 . 1 155 155 VAL N N 15 124.933 0.3 . 1 . . . . . 151 VAL N . 50396 2 269 . 1 . 1 156 156 VAL H H 1 8.959 0.020 . 1 . . . . . 152 VAL H . 50396 2 270 . 1 . 1 156 156 VAL N N 15 127.901 0.3 . 1 . . . . . 152 VAL N . 50396 2 271 . 1 . 1 157 157 VAL H H 1 9.098 0.020 . 1 . . . . . 153 VAL H . 50396 2 272 . 1 . 1 157 157 VAL N N 15 122.75 0.3 . 1 . . . . . 153 VAL N . 50396 2 273 . 1 . 1 158 158 ASN H H 1 8.564 0.020 . 1 . . . . . 154 ASN H . 50396 2 274 . 1 . 1 158 158 ASN N N 15 119.539 0.3 . 1 . . . . . 154 ASN N . 50396 2 275 . 1 . 1 159 159 SER H H 1 7.17 0.020 . 1 . . . . . 155 SER H . 50396 2 276 . 1 . 1 159 159 SER N N 15 112.434 0.3 . 1 . . . . . 155 SER N . 50396 2 277 . 1 . 1 161 161 ASP H H 1 8.369 0.020 . 1 . . . . . 157 ASP H . 50396 2 278 . 1 . 1 161 161 ASP N N 15 118.823 0.3 . 1 . . . . . 157 ASP N . 50396 2 279 . 1 . 1 162 162 VAL H H 1 7.529 0.020 . 1 . . . . . 158 VAL H . 50396 2 280 . 1 . 1 162 162 VAL N N 15 121.572 0.3 . 1 . . . . . 158 VAL N . 50396 2 281 . 1 . 1 163 163 TYR H H 1 8.275 0.020 . 1 . . . . . 159 TYR H . 50396 2 282 . 1 . 1 163 163 TYR N N 15 120.584 0.3 . 1 . . . . . 159 TYR N . 50396 2 283 . 1 . 1 164 164 LYS H H 1 8.717 0.020 . 1 . . . . . 160 LYS H . 50396 2 284 . 1 . 1 164 164 LYS N N 15 118.518 0.3 . 1 . . . . . 160 LYS N . 50396 2 285 . 1 . 1 165 165 SER H H 1 7.605 0.020 . 1 . . . . . 161 SER H . 50396 2 286 . 1 . 1 165 165 SER N N 15 113.431 0.3 . 1 . . . . . 161 SER N . 50396 2 287 . 1 . 1 166 166 LEU H H 1 7.232 0.020 . 1 . . . . . 162 LEU H . 50396 2 288 . 1 . 1 166 166 LEU N N 15 119.192 0.3 . 1 . . . . . 162 LEU N . 50396 2 289 . 1 . 1 167 167 THR H H 1 7.207 0.020 . 1 . . . . . 163 THR H . 50396 2 290 . 1 . 1 167 167 THR N N 15 106.936 0.3 . 1 . . . . . 163 THR N . 50396 2 291 . 1 . 1 168 168 ILE H H 1 7.14 0.020 . 1 . . . . . 164 ILE H . 50396 2 292 . 1 . 1 168 168 ILE N N 15 125.766 0.3 . 1 . . . . . 164 ILE N . 50396 2 stop_ save_