################################### # 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_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 10051 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 1H15N-HSQC' 1 $sample_1 isotropic 10051 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 4 4 GLY H H 1 8.461 0.030 . 1 . . . . 4 GLY H . 10051 1 2 . 1 1 4 4 GLY N N 15 111.063 0.300 . 1 . . . . 4 GLY N . 10051 1 3 . 1 1 5 5 SER H H 1 8.304 0.030 . 1 . . . . 5 SER H . 10051 1 4 . 1 1 5 5 SER N N 15 115.903 0.300 . 1 . . . . 5 SER N . 10051 1 5 . 1 1 6 6 SER H H 1 8.440 0.030 . 1 . . . . 6 SER H . 10051 1 6 . 1 1 6 6 SER N N 15 117.826 0.300 . 1 . . . . 6 SER N . 10051 1 7 . 1 1 7 7 GLY H H 1 8.356 0.030 . 1 . . . . 7 GLY H . 10051 1 8 . 1 1 7 7 GLY N N 15 110.641 0.300 . 1 . . . . 7 GLY N . 10051 1 9 . 1 1 8 8 MET H H 1 8.009 0.030 . 1 . . . . 8 MET H . 10051 1 10 . 1 1 8 8 MET N N 15 119.888 0.300 . 1 . . . . 8 MET N . 10051 1 11 . 1 1 9 9 THR H H 1 8.667 0.030 . 1 . . . . 9 THR H . 10051 1 12 . 1 1 9 9 THR N N 15 122.668 0.300 . 1 . . . . 9 THR N . 10051 1 13 . 1 1 10 10 GLU H H 1 8.347 0.030 . 1 . . . . 10 GLU H . 10051 1 14 . 1 1 10 10 GLU N N 15 126.947 0.300 . 1 . . . . 10 GLU N . 10051 1 15 . 1 1 11 11 TYR H H 1 8.738 0.030 . 1 . . . . 11 TYR H . 10051 1 16 . 1 1 11 11 TYR N N 15 121.926 0.300 . 1 . . . . 11 TYR N . 10051 1 17 . 1 1 12 12 LYS H H 1 9.147 0.030 . 1 . . . . 12 LYS H . 10051 1 18 . 1 1 12 12 LYS N N 15 124.519 0.300 . 1 . . . . 12 LYS N . 10051 1 19 . 1 1 13 13 LEU H H 1 9.471 0.030 . 1 . . . . 13 LEU H . 10051 1 20 . 1 1 13 13 LEU N N 15 126.632 0.300 . 1 . . . . 13 LEU N . 10051 1 21 . 1 1 14 14 VAL H H 1 7.936 0.030 . 1 . . . . 14 VAL H . 10051 1 22 . 1 1 14 14 VAL N N 15 120.646 0.300 . 1 . . . . 14 VAL N . 10051 1 23 . 1 1 15 15 VAL H H 1 9.005 0.030 . 1 . . . . 15 VAL H . 10051 1 24 . 1 1 15 15 VAL N N 15 129.139 0.300 . 1 . . . . 15 VAL N . 10051 1 25 . 1 1 16 16 VAL H H 1 9.150 0.030 . 1 . . . . 16 VAL H . 10051 1 26 . 1 1 16 16 VAL N N 15 120.464 0.300 . 1 . . . . 16 VAL N . 10051 1 27 . 1 1 17 17 GLY H H 1 7.120 0.030 . 1 . . . . 17 GLY H . 10051 1 28 . 1 1 17 17 GLY N N 15 107.516 0.300 . 1 . . . . 17 GLY N . 10051 1 29 . 1 1 18 18 ALA H H 1 9.212 0.030 . 1 . . . . 18 ALA H . 10051 1 30 . 1 1 18 18 ALA N N 15 123.753 0.300 . 1 . . . . 18 ALA N . 10051 1 31 . 1 1 19 19 GLY H H 1 8.625 0.030 . 1 . . . . 19 GLY H . 10051 1 32 . 1 1 19 19 GLY N N 15 106.331 0.300 . 1 . . . . 19 GLY N . 10051 1 33 . 1 1 20 20 GLY H H 1 10.570 0.030 . 1 . . . . 20 GLY H . 10051 1 34 . 1 1 20 20 GLY N N 15 115.156 0.300 . 1 . . . . 20 GLY N . 10051 1 35 . 1 1 21 21 VAL H H 1 7.672 0.030 . 1 . . . . 21 VAL H . 10051 1 36 . 1 1 21 21 VAL N N 15 113.398 0.300 . 1 . . . . 21 VAL N . 10051 1 37 . 1 1 22 22 GLY H H 1 8.568 0.030 . 1 . . . . 22 GLY H . 10051 1 38 . 1 1 22 22 GLY N N 15 109.422 0.300 . 1 . . . . 22 GLY N . 10051 1 39 . 1 1 23 23 LYS H H 1 10.575 0.030 . 1 . . . . 23 LYS H . 10051 1 40 . 1 1 23 23 LYS N N 15 125.411 0.300 . 1 . . . . 23 LYS N . 10051 1 41 . 1 1 24 24 SER H H 1 9.295 0.030 . 1 . . . . 24 SER H . 10051 1 42 . 1 1 24 24 SER N N 15 120.438 0.300 . 1 . . . . 24 SER N . 10051 1 43 . 1 1 25 25 ALA H H 1 9.586 0.030 . 1 . . . . 25 ALA H . 10051 1 44 . 1 1 25 25 ALA N N 15 125.405 0.300 . 1 . . . . 25 ALA N . 10051 1 45 . 1 1 26 26 LEU H H 1 9.008 0.030 . 1 . . . . 26 LEU H . 10051 1 46 . 1 1 26 26 LEU N N 15 120.349 0.300 . 1 . . . . 26 LEU N . 10051 1 47 . 1 1 27 27 THR H H 1 7.658 0.030 . 1 . . . . 27 THR H . 10051 1 48 . 1 1 27 27 THR N N 15 116.904 0.300 . 1 . . . . 27 THR N . 10051 1 49 . 1 1 28 28 ILE H H 1 8.871 0.030 . 1 . . . . 28 ILE H . 10051 1 50 . 1 1 28 28 ILE N N 15 120.454 0.300 . 1 . . . . 28 ILE N . 10051 1 51 . 1 1 29 29 GLN H H 1 7.835 0.030 . 1 . . . . 29 GLN H . 10051 1 52 . 1 1 29 29 GLN N N 15 121.062 0.300 . 1 . . . . 29 GLN N . 10051 1 53 . 1 1 30 30 LEU H H 1 7.603 0.030 . 1 . . . . 30 LEU H . 10051 1 54 . 1 1 30 30 LEU N N 15 120.468 0.300 . 1 . . . . 30 LEU N . 10051 1 55 . 1 1 31 31 ILE H H 1 8.141 0.030 . 1 . . . . 31 ILE H . 10051 1 56 . 1 1 31 31 ILE N N 15 114.146 0.300 . 1 . . . . 31 ILE N . 10051 1 57 . 1 1 32 32 GLN H H 1 8.966 0.030 . 1 . . . . 32 GLN H . 10051 1 58 . 1 1 32 32 GLN N N 15 115.844 0.300 . 1 . . . . 32 GLN N . 10051 1 59 . 1 1 33 33 ASN H H 1 7.914 0.030 . 1 . . . . 33 ASN H . 10051 1 60 . 1 1 33 33 ASN N N 15 116.553 0.300 . 1 . . . . 33 ASN N . 10051 1 61 . 1 1 34 34 HIS H H 1 6.733 0.030 . 1 . . . . 34 HIS H . 10051 1 62 . 1 1 34 34 HIS N N 15 110.857 0.300 . 1 . . . . 34 HIS N . 10051 1 63 . 1 1 35 35 PHE H H 1 8.589 0.030 . 1 . . . . 35 PHE H . 10051 1 64 . 1 1 35 35 PHE N N 15 122.396 0.300 . 1 . . . . 35 PHE N . 10051 1 65 . 1 1 36 36 VAL H H 1 7.753 0.030 . 1 . . . . 36 VAL H . 10051 1 66 . 1 1 36 36 VAL N N 15 125.698 0.300 . 1 . . . . 36 VAL N . 10051 1 67 . 1 1 37 37 ASP H H 1 7.919 0.030 . 1 . . . . 37 ASP H . 10051 1 68 . 1 1 37 37 ASP N N 15 122.223 0.300 . 1 . . . . 37 ASP N . 10051 1 69 . 1 1 38 38 GLU H H 1 7.702 0.030 . 1 . . . . 38 GLU H . 10051 1 70 . 1 1 38 38 GLU N N 15 119.135 0.300 . 1 . . . . 38 GLU N . 10051 1 71 . 1 1 39 39 TRP H H 1 9.005 0.030 . 1 . . . . 39 TRP H . 10051 1 72 . 1 1 39 39 TRP N N 15 126.895 0.300 . 1 . . . . 39 TRP N . 10051 1 73 . 1 1 40 40 ASP H H 1 7.786 0.030 . 1 . . . . 40 ASP H . 10051 1 74 . 1 1 40 40 ASP N N 15 130.179 0.300 . 1 . . . . 40 ASP N . 10051 1 75 . 1 1 42 42 THR H H 1 9.024 0.030 . 1 . . . . 42 THR H . 10051 1 76 . 1 1 42 42 THR N N 15 109.435 0.300 . 1 . . . . 42 THR N . 10051 1 77 . 1 1 43 43 ILE H H 1 6.917 0.030 . 1 . . . . 43 ILE H . 10051 1 78 . 1 1 43 43 ILE N N 15 120.768 0.300 . 1 . . . . 43 ILE N . 10051 1 79 . 1 1 44 44 GLU H H 1 8.516 0.030 . 1 . . . . 44 GLU H . 10051 1 80 . 1 1 44 44 GLU N N 15 133.956 0.300 . 1 . . . . 44 GLU N . 10051 1 81 . 1 1 45 45 ASP H H 1 8.175 0.030 . 1 . . . . 45 ASP H . 10051 1 82 . 1 1 45 45 ASP N N 15 123.826 0.300 . 1 . . . . 45 ASP N . 10051 1 83 . 1 1 46 46 SER H H 1 8.499 0.030 . 1 . . . . 46 SER H . 10051 1 84 . 1 1 46 46 SER N N 15 114.621 0.300 . 1 . . . . 46 SER N . 10051 1 85 . 1 1 47 47 TYR H H 1 9.135 0.030 . 1 . . . . 47 TYR H . 10051 1 86 . 1 1 47 47 TYR N N 15 122.173 0.300 . 1 . . . . 47 TYR N . 10051 1 87 . 1 1 48 48 ARG H H 1 8.414 0.030 . 1 . . . . 48 ARG H . 10051 1 88 . 1 1 48 48 ARG N N 15 120.595 0.300 . 1 . . . . 48 ARG N . 10051 1 89 . 1 1 49 49 LYS H H 1 8.569 0.030 . 1 . . . . 49 LYS H . 10051 1 90 . 1 1 49 49 LYS N N 15 121.593 0.300 . 1 . . . . 49 LYS N . 10051 1 91 . 1 1 50 50 GLN H H 1 8.823 0.030 . 1 . . . . 50 GLN H . 10051 1 92 . 1 1 50 50 GLN N N 15 128.920 0.300 . 1 . . . . 50 GLN N . 10051 1 93 . 1 1 51 51 VAL H H 1 9.104 0.030 . 1 . . . . 51 VAL H . 10051 1 94 . 1 1 51 51 VAL N N 15 121.614 0.300 . 1 . . . . 51 VAL N . 10051 1 95 . 1 1 52 52 VAL H H 1 8.055 0.030 . 1 . . . . 52 VAL H . 10051 1 96 . 1 1 52 52 VAL N N 15 121.630 0.300 . 1 . . . . 52 VAL N . 10051 1 97 . 1 1 53 53 ILE H H 1 8.262 0.030 . 1 . . . . 53 ILE H . 10051 1 98 . 1 1 53 53 ILE N N 15 125.735 0.300 . 1 . . . . 53 ILE N . 10051 1 99 . 1 1 54 54 ASP H H 1 9.587 0.030 . 1 . . . . 54 ASP H . 10051 1 100 . 1 1 54 54 ASP N N 15 130.576 0.300 . 1 . . . . 54 ASP N . 10051 1 101 . 1 1 55 55 GLY H H 1 8.300 0.030 . 1 . . . . 55 GLY H . 10051 1 102 . 1 1 55 55 GLY N N 15 103.476 0.300 . 1 . . . . 55 GLY N . 10051 1 103 . 1 1 56 56 GLU H H 1 7.682 0.030 . 1 . . . . 56 GLU H . 10051 1 104 . 1 1 56 56 GLU N N 15 122.818 0.300 . 1 . . . . 56 GLU N . 10051 1 105 . 1 1 57 57 THR H H 1 9.000 0.030 . 1 . . . . 57 THR H . 10051 1 106 . 1 1 57 57 THR N N 15 126.232 0.300 . 1 . . . . 57 THR N . 10051 1 107 . 1 1 58 58 CYS H H 1 9.392 0.030 . 1 . . . . 58 CYS H . 10051 1 108 . 1 1 58 58 CYS N N 15 124.753 0.300 . 1 . . . . 58 CYS N . 10051 1 109 . 1 1 59 59 LEU H H 1 8.788 0.030 . 1 . . . . 59 LEU H . 10051 1 110 . 1 1 59 59 LEU N N 15 122.470 0.300 . 1 . . . . 59 LEU N . 10051 1 111 . 1 1 60 60 LEU H H 1 9.016 0.030 . 1 . . . . 60 LEU H . 10051 1 112 . 1 1 60 60 LEU N N 15 123.711 0.300 . 1 . . . . 60 LEU N . 10051 1 113 . 1 1 61 61 ASP H H 1 8.652 0.030 . 1 . . . . 61 ASP H . 10051 1 114 . 1 1 61 61 ASP N N 15 125.410 0.300 . 1 . . . . 61 ASP N . 10051 1 115 . 1 1 62 62 ILE H H 1 9.183 0.030 . 1 . . . . 62 ILE H . 10051 1 116 . 1 1 62 62 ILE N N 15 123.876 0.300 . 1 . . . . 62 ILE N . 10051 1 117 . 1 1 63 63 LEU H H 1 8.803 0.030 . 1 . . . . 63 LEU H . 10051 1 118 . 1 1 63 63 LEU N N 15 127.915 0.300 . 1 . . . . 63 LEU N . 10051 1 119 . 1 1 64 64 ASP H H 1 8.572 0.030 . 1 . . . . 64 ASP H . 10051 1 120 . 1 1 64 64 ASP N N 15 129.383 0.300 . 1 . . . . 64 ASP N . 10051 1 121 . 1 1 65 65 THR H H 1 6.728 0.030 . 1 . . . . 65 THR H . 10051 1 122 . 1 1 65 65 THR N N 15 110.373 0.300 . 1 . . . . 65 THR N . 10051 1 123 . 1 1 66 66 ALA H H 1 9.175 0.030 . 1 . . . . 66 ALA H . 10051 1 124 . 1 1 66 66 ALA N N 15 121.157 0.300 . 1 . . . . 66 ALA N . 10051 1 125 . 1 1 67 67 GLY H H 1 8.309 0.030 . 1 . . . . 67 GLY H . 10051 1 126 . 1 1 67 67 GLY N N 15 108.129 0.300 . 1 . . . . 67 GLY N . 10051 1 127 . 1 1 68 68 GLN H H 1 8.614 0.030 . 1 . . . . 68 GLN H . 10051 1 128 . 1 1 68 68 GLN N N 15 119.127 0.300 . 1 . . . . 68 GLN N . 10051 1 129 . 1 1 69 69 GLU H H 1 8.763 0.030 . 1 . . . . 69 GLU H . 10051 1 130 . 1 1 69 69 GLU N N 15 120.712 0.300 . 1 . . . . 69 GLU N . 10051 1 131 . 1 1 70 70 GLU H H 1 8.330 0.030 . 1 . . . . 70 GLU H . 10051 1 132 . 1 1 70 70 GLU N N 15 120.144 0.300 . 1 . . . . 70 GLU N . 10051 1 133 . 1 1 71 71 TYR H H 1 8.254 0.030 . 1 . . . . 71 TYR H . 10051 1 134 . 1 1 71 71 TYR N N 15 120.848 0.300 . 1 . . . . 71 TYR N . 10051 1 135 . 1 1 72 72 SER H H 1 7.900 0.030 . 1 . . . . 72 SER H . 10051 1 136 . 1 1 72 72 SER N N 15 119.859 0.300 . 1 . . . . 72 SER N . 10051 1 137 . 1 1 73 73 ALA H H 1 8.807 0.030 . 1 . . . . 73 ALA H . 10051 1 138 . 1 1 73 73 ALA N N 15 128.969 0.300 . 1 . . . . 73 ALA N . 10051 1 139 . 1 1 74 74 MET H H 1 8.237 0.030 . 1 . . . . 74 MET H . 10051 1 140 . 1 1 74 74 MET N N 15 117.668 0.300 . 1 . . . . 74 MET N . 10051 1 141 . 1 1 75 75 ARG H H 1 7.814 0.030 . 1 . . . . 75 ARG H . 10051 1 142 . 1 1 75 75 ARG N N 15 120.921 0.300 . 1 . . . . 75 ARG N . 10051 1 143 . 1 1 76 76 ASP H H 1 8.076 0.030 . 1 . . . . 76 ASP H . 10051 1 144 . 1 1 76 76 ASP N N 15 118.430 0.300 . 1 . . . . 76 ASP N . 10051 1 145 . 1 1 77 77 GLN H H 1 7.801 0.030 . 1 . . . . 77 GLN H . 10051 1 146 . 1 1 77 77 GLN N N 15 117.402 0.300 . 1 . . . . 77 GLN N . 10051 1 147 . 1 1 78 78 TYR H H 1 8.222 0.030 . 1 . . . . 78 TYR H . 10051 1 148 . 1 1 78 78 TYR N N 15 119.531 0.300 . 1 . . . . 78 TYR N . 10051 1 149 . 1 1 79 79 MET H H 1 8.521 0.030 . 1 . . . . 79 MET H . 10051 1 150 . 1 1 79 79 MET N N 15 119.540 0.300 . 1 . . . . 79 MET N . 10051 1 151 . 1 1 80 80 ARG H H 1 7.983 0.030 . 1 . . . . 80 ARG H . 10051 1 152 . 1 1 80 80 ARG N N 15 116.022 0.300 . 1 . . . . 80 ARG N . 10051 1 153 . 1 1 81 81 THR H H 1 7.933 0.030 . 1 . . . . 81 THR H . 10051 1 154 . 1 1 81 81 THR N N 15 108.138 0.300 . 1 . . . . 81 THR N . 10051 1 155 . 1 1 82 82 GLY H H 1 7.985 0.030 . 1 . . . . 82 GLY H . 10051 1 156 . 1 1 82 82 GLY N N 15 111.124 0.300 . 1 . . . . 82 GLY N . 10051 1 157 . 1 1 83 83 GLU H H 1 8.876 0.030 . 1 . . . . 83 GLU H . 10051 1 158 . 1 1 83 83 GLU N N 15 121.918 0.300 . 1 . . . . 83 GLU N . 10051 1 159 . 1 1 84 84 GLY H H 1 7.166 0.030 . 1 . . . . 84 GLY H . 10051 1 160 . 1 1 84 84 GLY N N 15 100.871 0.300 . 1 . . . . 84 GLY N . 10051 1 161 . 1 1 85 85 PHE H H 1 8.160 0.030 . 1 . . . . 85 PHE H . 10051 1 162 . 1 1 85 85 PHE N N 15 121.185 0.300 . 1 . . . . 85 PHE N . 10051 1 163 . 1 1 86 86 LEU H H 1 9.213 0.030 . 1 . . . . 86 LEU H . 10051 1 164 . 1 1 86 86 LEU N N 15 126.622 0.300 . 1 . . . . 86 LEU N . 10051 1 165 . 1 1 87 87 CYS H H 1 8.694 0.030 . 1 . . . . 87 CYS H . 10051 1 166 . 1 1 87 87 CYS N N 15 124.502 0.300 . 1 . . . . 87 CYS N . 10051 1 167 . 1 1 88 88 VAL H H 1 8.955 0.030 . 1 . . . . 88 VAL H . 10051 1 168 . 1 1 88 88 VAL N N 15 125.943 0.300 . 1 . . . . 88 VAL N . 10051 1 169 . 1 1 89 89 PHE H H 1 9.253 0.030 . 1 . . . . 89 PHE H . 10051 1 170 . 1 1 89 89 PHE N N 15 123.826 0.300 . 1 . . . . 89 PHE N . 10051 1 171 . 1 1 90 90 ALA H H 1 8.671 0.030 . 1 . . . . 90 ALA H . 10051 1 172 . 1 1 90 90 ALA N N 15 121.083 0.300 . 1 . . . . 90 ALA N . 10051 1 173 . 1 1 91 91 ILE H H 1 8.469 0.030 . 1 . . . . 91 ILE H . 10051 1 174 . 1 1 91 91 ILE N N 15 113.240 0.300 . 1 . . . . 91 ILE N . 10051 1 175 . 1 1 92 92 ASN H H 1 7.867 0.030 . 1 . . . . 92 ASN H . 10051 1 176 . 1 1 92 92 ASN N N 15 117.102 0.300 . 1 . . . . 92 ASN N . 10051 1 177 . 1 1 93 93 ASN H H 1 7.932 0.030 . 1 . . . . 93 ASN H . 10051 1 178 . 1 1 93 93 ASN N N 15 119.284 0.300 . 1 . . . . 93 ASN N . 10051 1 179 . 1 1 94 94 THR H H 1 9.238 0.030 . 1 . . . . 94 THR H . 10051 1 180 . 1 1 94 94 THR N N 15 124.474 0.300 . 1 . . . . 94 THR N . 10051 1 181 . 1 1 95 95 LYS H H 1 8.444 0.030 . 1 . . . . 95 LYS H . 10051 1 182 . 1 1 95 95 LYS N N 15 124.102 0.300 . 1 . . . . 95 LYS N . 10051 1 183 . 1 1 96 96 SER H H 1 8.069 0.030 . 1 . . . . 96 SER H . 10051 1 184 . 1 1 96 96 SER N N 15 114.332 0.300 . 1 . . . . 96 SER N . 10051 1 185 . 1 1 97 97 PHE H H 1 7.398 0.030 . 1 . . . . 97 PHE H . 10051 1 186 . 1 1 97 97 PHE N N 15 124.640 0.300 . 1 . . . . 97 PHE N . 10051 1 187 . 1 1 98 98 GLU H H 1 8.452 0.030 . 1 . . . . 98 GLU H . 10051 1 188 . 1 1 98 98 GLU N N 15 121.675 0.300 . 1 . . . . 98 GLU N . 10051 1 189 . 1 1 99 99 ASP H H 1 8.452 0.030 . 1 . . . . 99 ASP H . 10051 1 190 . 1 1 99 99 ASP N N 15 117.376 0.300 . 1 . . . . 99 ASP N . 10051 1 191 . 1 1 100 100 ILE H H 1 7.555 0.030 . 1 . . . . 100 ILE H . 10051 1 192 . 1 1 100 100 ILE N N 15 120.397 0.300 . 1 . . . . 100 ILE N . 10051 1 193 . 1 1 101 101 HIS H H 1 7.772 0.030 . 1 . . . . 101 HIS H . 10051 1 194 . 1 1 101 101 HIS N N 15 116.866 0.300 . 1 . . . . 101 HIS N . 10051 1 195 . 1 1 102 102 GLN H H 1 7.434 0.030 . 1 . . . . 102 GLN H . 10051 1 196 . 1 1 102 102 GLN N N 15 116.654 0.300 . 1 . . . . 102 GLN N . 10051 1 197 . 1 1 103 103 TYR H H 1 7.526 0.030 . 1 . . . . 103 TYR H . 10051 1 198 . 1 1 103 103 TYR N N 15 119.160 0.300 . 1 . . . . 103 TYR N . 10051 1 199 . 1 1 104 104 ARG H H 1 8.367 0.030 . 1 . . . . 104 ARG H . 10051 1 200 . 1 1 104 104 ARG N N 15 118.669 0.300 . 1 . . . . 104 ARG N . 10051 1 201 . 1 1 105 105 GLU H H 1 7.967 0.030 . 1 . . . . 105 GLU H . 10051 1 202 . 1 1 105 105 GLU N N 15 117.391 0.300 . 1 . . . . 105 GLU N . 10051 1 203 . 1 1 106 106 GLN H H 1 7.853 0.030 . 1 . . . . 106 GLN H . 10051 1 204 . 1 1 106 106 GLN N N 15 119.841 0.300 . 1 . . . . 106 GLN N . 10051 1 205 . 1 1 107 107 ILE H H 1 7.797 0.030 . 1 . . . . 107 ILE H . 10051 1 206 . 1 1 107 107 ILE N N 15 119.952 0.300 . 1 . . . . 107 ILE N . 10051 1 207 . 1 1 108 108 LYS H H 1 7.845 0.030 . 1 . . . . 108 LYS H . 10051 1 208 . 1 1 108 108 LYS N N 15 117.416 0.300 . 1 . . . . 108 LYS N . 10051 1 209 . 1 1 109 109 ARG H H 1 7.771 0.030 . 1 . . . . 109 ARG H . 10051 1 210 . 1 1 109 109 ARG N N 15 117.876 0.300 . 1 . . . . 109 ARG N . 10051 1 211 . 1 1 110 110 VAL H H 1 8.067 0.030 . 1 . . . . 110 VAL H . 10051 1 212 . 1 1 110 110 VAL N N 15 118.394 0.300 . 1 . . . . 110 VAL N . 10051 1 213 . 1 1 111 111 LYS H H 1 8.060 0.030 . 1 . . . . 111 LYS H . 10051 1 214 . 1 1 111 111 LYS N N 15 116.481 0.300 . 1 . . . . 111 LYS N . 10051 1 215 . 1 1 112 112 ASP H H 1 7.993 0.030 . 1 . . . . 112 ASP H . 10051 1 216 . 1 1 112 112 ASP N N 15 120.649 0.300 . 1 . . . . 112 ASP N . 10051 1 217 . 1 1 113 113 SER H H 1 7.472 0.030 . 1 . . . . 113 SER H . 10051 1 218 . 1 1 113 113 SER N N 15 108.874 0.300 . 1 . . . . 113 SER N . 10051 1 219 . 1 1 114 114 ASP H H 1 8.276 0.030 . 1 . . . . 114 ASP H . 10051 1 220 . 1 1 114 114 ASP N N 15 121.472 0.300 . 1 . . . . 114 ASP N . 10051 1 221 . 1 1 115 115 ASP H H 1 8.473 0.030 . 1 . . . . 115 ASP H . 10051 1 222 . 1 1 115 115 ASP N N 15 121.550 0.300 . 1 . . . . 115 ASP N . 10051 1 223 . 1 1 116 116 VAL H H 1 7.570 0.030 . 1 . . . . 116 VAL H . 10051 1 224 . 1 1 116 116 VAL N N 15 121.630 0.300 . 1 . . . . 116 VAL N . 10051 1 225 . 1 1 118 118 MET H H 1 8.194 0.030 . 1 . . . . 118 MET H . 10051 1 226 . 1 1 118 118 MET N N 15 123.001 0.300 . 1 . . . . 118 MET N . 10051 1 227 . 1 1 119 119 VAL H H 1 8.055 0.030 . 1 . . . . 119 VAL H . 10051 1 228 . 1 1 119 119 VAL N N 15 118.170 0.300 . 1 . . . . 119 VAL N . 10051 1 229 . 1 1 120 120 LEU H H 1 8.889 0.030 . 1 . . . . 120 LEU H . 10051 1 230 . 1 1 120 120 LEU N N 15 129.066 0.300 . 1 . . . . 120 LEU N . 10051 1 231 . 1 1 121 121 VAL H H 1 9.171 0.030 . 1 . . . . 121 VAL H . 10051 1 232 . 1 1 121 121 VAL N N 15 128.186 0.300 . 1 . . . . 121 VAL N . 10051 1 233 . 1 1 122 122 GLY H H 1 7.997 0.030 . 1 . . . . 122 GLY H . 10051 1 234 . 1 1 122 122 GLY N N 15 114.426 0.300 . 1 . . . . 122 GLY N . 10051 1 235 . 1 1 123 123 ASN H H 1 8.731 0.030 . 1 . . . . 123 ASN H . 10051 1 236 . 1 1 123 123 ASN N N 15 121.171 0.300 . 1 . . . . 123 ASN N . 10051 1 237 . 1 1 124 124 LYS H H 1 7.331 0.030 . 1 . . . . 124 LYS H . 10051 1 238 . 1 1 124 124 LYS N N 15 112.136 0.300 . 1 . . . . 124 LYS N . 10051 1 239 . 1 1 125 125 CYS H H 1 8.762 0.030 . 1 . . . . 125 CYS H . 10051 1 240 . 1 1 125 125 CYS N N 15 114.191 0.300 . 1 . . . . 125 CYS N . 10051 1 241 . 1 1 126 126 ASP H H 1 8.609 0.030 . 1 . . . . 126 ASP H . 10051 1 242 . 1 1 126 126 ASP N N 15 117.391 0.300 . 1 . . . . 126 ASP N . 10051 1 243 . 1 1 127 127 LEU H H 1 7.788 0.030 . 1 . . . . 127 LEU H . 10051 1 244 . 1 1 127 127 LEU N N 15 120.889 0.300 . 1 . . . . 127 LEU N . 10051 1 245 . 1 1 128 128 ALA H H 1 8.138 0.030 . 1 . . . . 128 ALA H . 10051 1 246 . 1 1 128 128 ALA N N 15 122.698 0.300 . 1 . . . . 128 ALA N . 10051 1 247 . 1 1 129 129 ALA H H 1 7.677 0.030 . 1 . . . . 129 ALA H . 10051 1 248 . 1 1 129 129 ALA N N 15 121.670 0.300 . 1 . . . . 129 ALA N . 10051 1 249 . 1 1 130 130 ARG H H 1 8.002 0.030 . 1 . . . . 130 ARG H . 10051 1 250 . 1 1 130 130 ARG N N 15 120.055 0.300 . 1 . . . . 130 ARG N . 10051 1 251 . 1 1 131 131 THR H H 1 9.101 0.030 . 1 . . . . 131 THR H . 10051 1 252 . 1 1 131 131 THR N N 15 114.027 0.300 . 1 . . . . 131 THR N . 10051 1 253 . 1 1 132 132 VAL H H 1 7.619 0.030 . 1 . . . . 132 VAL H . 10051 1 254 . 1 1 132 132 VAL N N 15 124.508 0.300 . 1 . . . . 132 VAL N . 10051 1 255 . 1 1 133 133 GLU H H 1 8.722 0.030 . 1 . . . . 133 GLU H . 10051 1 256 . 1 1 133 133 GLU N N 15 127.146 0.300 . 1 . . . . 133 GLU N . 10051 1 257 . 1 1 134 134 SER H H 1 9.413 0.030 . 1 . . . . 134 SER H . 10051 1 258 . 1 1 134 134 SER N N 15 121.707 0.300 . 1 . . . . 134 SER N . 10051 1 259 . 1 1 135 135 ARG H H 1 8.650 0.030 . 1 . . . . 135 ARG H . 10051 1 260 . 1 1 135 135 ARG N N 15 117.864 0.300 . 1 . . . . 135 ARG N . 10051 1 261 . 1 1 136 136 GLN H H 1 6.775 0.030 . 1 . . . . 136 GLN H . 10051 1 262 . 1 1 136 136 GLN N N 15 116.845 0.300 . 1 . . . . 136 GLN N . 10051 1 263 . 1 1 137 137 ALA H H 1 7.004 0.030 . 1 . . . . 137 ALA H . 10051 1 264 . 1 1 137 137 ALA N N 15 123.455 0.300 . 1 . . . . 137 ALA N . 10051 1 265 . 1 1 138 138 GLN H H 1 8.588 0.030 . 1 . . . . 138 GLN H . 10051 1 266 . 1 1 138 138 GLN N N 15 117.935 0.300 . 1 . . . . 138 GLN N . 10051 1 267 . 1 1 139 139 ASP H H 1 8.194 0.030 . 1 . . . . 139 ASP H . 10051 1 268 . 1 1 139 139 ASP N N 15 120.087 0.300 . 1 . . . . 139 ASP N . 10051 1 269 . 1 1 140 140 LEU H H 1 7.452 0.030 . 1 . . . . 140 LEU H . 10051 1 270 . 1 1 140 140 LEU N N 15 123.566 0.300 . 1 . . . . 140 LEU N . 10051 1 271 . 1 1 141 141 ALA H H 1 8.398 0.030 . 1 . . . . 141 ALA H . 10051 1 272 . 1 1 141 141 ALA N N 15 121.781 0.300 . 1 . . . . 141 ALA N . 10051 1 273 . 1 1 142 142 ARG H H 1 8.453 0.030 . 1 . . . . 142 ARG H . 10051 1 274 . 1 1 142 142 ARG N N 15 118.308 0.300 . 1 . . . . 142 ARG N . 10051 1 275 . 1 1 143 143 SER H H 1 7.920 0.030 . 1 . . . . 143 SER H . 10051 1 276 . 1 1 143 143 SER N N 15 117.734 0.300 . 1 . . . . 143 SER N . 10051 1 277 . 1 1 144 144 TYR H H 1 7.599 0.030 . 1 . . . . 144 TYR H . 10051 1 278 . 1 1 144 144 TYR N N 15 120.095 0.300 . 1 . . . . 144 TYR N . 10051 1 279 . 1 1 145 145 GLY H H 1 8.299 0.030 . 1 . . . . 145 GLY H . 10051 1 280 . 1 1 145 145 GLY N N 15 110.948 0.300 . 1 . . . . 145 GLY N . 10051 1 281 . 1 1 146 146 ILE H H 1 8.031 0.030 . 1 . . . . 146 ILE H . 10051 1 282 . 1 1 146 146 ILE N N 15 112.925 0.300 . 1 . . . . 146 ILE N . 10051 1 283 . 1 1 148 148 TYR H H 1 8.245 0.030 . 1 . . . . 148 TYR H . 10051 1 284 . 1 1 148 148 TYR N N 15 119.982 0.300 . 1 . . . . 148 TYR N . 10051 1 285 . 1 1 149 149 ILE H H 1 8.476 0.030 . 1 . . . . 149 ILE H . 10051 1 286 . 1 1 149 149 ILE N N 15 130.144 0.300 . 1 . . . . 149 ILE N . 10051 1 287 . 1 1 150 150 GLU H H 1 7.809 0.030 . 1 . . . . 150 GLU H . 10051 1 288 . 1 1 150 150 GLU N N 15 124.637 0.300 . 1 . . . . 150 GLU N . 10051 1 289 . 1 1 151 151 THR H H 1 8.741 0.030 . 1 . . . . 151 THR H . 10051 1 290 . 1 1 151 151 THR N N 15 112.232 0.300 . 1 . . . . 151 THR N . 10051 1 291 . 1 1 152 152 SER H H 1 8.834 0.030 . 1 . . . . 152 SER H . 10051 1 292 . 1 1 152 152 SER N N 15 112.654 0.300 . 1 . . . . 152 SER N . 10051 1 293 . 1 1 153 153 ALA H H 1 9.094 0.030 . 1 . . . . 153 ALA H . 10051 1 294 . 1 1 153 153 ALA N N 15 132.404 0.300 . 1 . . . . 153 ALA N . 10051 1 295 . 1 1 154 154 LYS H H 1 6.970 0.030 . 1 . . . . 154 LYS H . 10051 1 296 . 1 1 154 154 LYS N N 15 116.042 0.300 . 1 . . . . 154 LYS N . 10051 1 297 . 1 1 155 155 THR H H 1 7.696 0.030 . 1 . . . . 155 THR H . 10051 1 298 . 1 1 155 155 THR N N 15 106.400 0.300 . 1 . . . . 155 THR N . 10051 1 299 . 1 1 156 156 ARG H H 1 7.813 0.030 . 1 . . . . 156 ARG H . 10051 1 300 . 1 1 156 156 ARG N N 15 118.415 0.300 . 1 . . . . 156 ARG N . 10051 1 301 . 1 1 157 157 GLN H H 1 7.822 0.030 . 1 . . . . 157 GLN H . 10051 1 302 . 1 1 157 157 GLN N N 15 124.320 0.300 . 1 . . . . 157 GLN N . 10051 1 303 . 1 1 158 158 GLY H H 1 8.908 0.030 . 1 . . . . 158 GLY H . 10051 1 304 . 1 1 158 158 GLY N N 15 115.225 0.300 . 1 . . . . 158 GLY N . 10051 1 305 . 1 1 159 159 VAL H H 1 7.066 0.030 . 1 . . . . 159 VAL H . 10051 1 306 . 1 1 159 159 VAL N N 15 120.601 0.300 . 1 . . . . 159 VAL N . 10051 1 307 . 1 1 160 160 GLU H H 1 8.234 0.030 . 1 . . . . 160 GLU H . 10051 1 308 . 1 1 160 160 GLU N N 15 116.786 0.300 . 1 . . . . 160 GLU N . 10051 1 309 . 1 1 161 161 ASP H H 1 8.135 0.030 . 1 . . . . 161 ASP H . 10051 1 310 . 1 1 161 161 ASP N N 15 116.477 0.300 . 1 . . . . 161 ASP N . 10051 1 311 . 1 1 162 162 ALA H H 1 8.593 0.030 . 1 . . . . 162 ALA H . 10051 1 312 . 1 1 162 162 ALA N N 15 124.091 0.300 . 1 . . . . 162 ALA N . 10051 1 313 . 1 1 163 163 PHE H H 1 7.243 0.030 . 1 . . . . 163 PHE H . 10051 1 314 . 1 1 163 163 PHE N N 15 112.612 0.300 . 1 . . . . 163 PHE N . 10051 1 315 . 1 1 164 164 TYR H H 1 9.649 0.030 . 1 . . . . 164 TYR H . 10051 1 316 . 1 1 164 164 TYR N N 15 119.392 0.300 . 1 . . . . 164 TYR N . 10051 1 317 . 1 1 165 165 THR H H 1 8.516 0.030 . 1 . . . . 165 THR H . 10051 1 318 . 1 1 165 165 THR N N 15 117.134 0.300 . 1 . . . . 165 THR N . 10051 1 319 . 1 1 166 166 LEU H H 1 7.236 0.030 . 1 . . . . 166 LEU H . 10051 1 320 . 1 1 166 166 LEU N N 15 121.663 0.300 . 1 . . . . 166 LEU N . 10051 1 321 . 1 1 167 167 VAL H H 1 7.631 0.030 . 1 . . . . 167 VAL H . 10051 1 322 . 1 1 167 167 VAL N N 15 119.337 0.300 . 1 . . . . 167 VAL N . 10051 1 323 . 1 1 168 168 ARG H H 1 8.148 0.030 . 1 . . . . 168 ARG H . 10051 1 324 . 1 1 168 168 ARG N N 15 119.342 0.300 . 1 . . . . 168 ARG N . 10051 1 325 . 1 1 169 169 GLU H H 1 8.367 0.030 . 1 . . . . 169 GLU H . 10051 1 326 . 1 1 169 169 GLU N N 15 119.600 0.300 . 1 . . . . 169 GLU N . 10051 1 327 . 1 1 170 170 ILE H H 1 8.424 0.030 . 1 . . . . 170 ILE H . 10051 1 328 . 1 1 170 170 ILE N N 15 123.220 0.300 . 1 . . . . 170 ILE N . 10051 1 329 . 1 1 171 171 ARG H H 1 8.749 0.030 . 1 . . . . 171 ARG H . 10051 1 330 . 1 1 171 171 ARG N N 15 119.634 0.300 . 1 . . . . 171 ARG N . 10051 1 331 . 1 1 172 172 GLN H H 1 8.060 0.030 . 1 . . . . 172 GLN H . 10051 1 332 . 1 1 172 172 GLN N N 15 116.390 0.300 . 1 . . . . 172 GLN N . 10051 1 333 . 1 1 173 173 HIS H H 1 8.159 0.030 . 1 . . . . 173 HIS H . 10051 1 334 . 1 1 173 173 HIS N N 15 120.375 0.300 . 1 . . . . 173 HIS N . 10051 1 335 . 1 1 174 174 LYS H H 1 8.307 0.030 . 1 . . . . 174 LYS H . 10051 1 336 . 1 1 174 174 LYS N N 15 118.195 0.300 . 1 . . . . 174 LYS N . 10051 1 337 . 1 1 175 175 LEU H H 1 7.541 0.030 . 1 . . . . 175 LEU H . 10051 1 338 . 1 1 175 175 LEU N N 15 118.085 0.300 . 1 . . . . 175 LEU N . 10051 1 339 . 1 1 176 176 ARG H H 1 7.585 0.030 . 1 . . . . 176 ARG H . 10051 1 340 . 1 1 176 176 ARG N N 15 118.357 0.300 . 1 . . . . 176 ARG N . 10051 1 341 . 1 1 177 177 LYS H H 1 7.749 0.030 . 1 . . . . 177 LYS H . 10051 1 342 . 1 1 177 177 LYS N N 15 120.833 0.300 . 1 . . . . 177 LYS N . 10051 1 343 . 1 1 178 178 LEU H H 1 7.677 0.030 . 1 . . . . 178 LEU H . 10051 1 344 . 1 1 178 178 LEU N N 15 128.854 0.300 . 1 . . . . 178 LEU N . 10051 1 stop_ save_