################################### # 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 5996 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $283K _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 '15N T1' 1 $sample_1 . 5996 1 2 '15N T2' 1 $sample_1 . 5996 1 3 '{1H}-15N NOE' 1 $sample_1 . 5996 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 2 2 GLU H H 1 8.538 0.01 . 1 . . . . . . . . 5996 1 2 . 1 1 2 2 GLU N N 15 119.871 0.10 . 1 . . . . . . . . 5996 1 3 . 1 1 3 3 ALA H H 1 8.879 0.01 . 1 . . . . . . . . 5996 1 4 . 1 1 3 3 ALA N N 15 125.550 0.10 . 1 . . . . . . . . 5996 1 5 . 1 1 4 4 SER H H 1 8.128 0.01 . 1 . . . . . . . . 5996 1 6 . 1 1 4 4 SER N N 15 111.891 0.10 . 1 . . . . . . . . 5996 1 7 . 1 1 5 5 SER H H 1 9.302 0.01 . 1 . . . . . . . . 5996 1 8 . 1 1 5 5 SER N N 15 120.847 0.10 . 1 . . . . . . . . 5996 1 9 . 1 1 6 6 THR H H 1 7.146 0.01 . 1 . . . . . . . . 5996 1 10 . 1 1 6 6 THR N N 15 108.519 0.10 . 1 . . . . . . . . 5996 1 11 . 1 1 7 7 GLY H H 1 7.660 0.01 . 1 . . . . . . . . 5996 1 12 . 1 1 7 7 GLY N N 15 110.645 0.10 . 1 . . . . . . . . 5996 1 13 . 1 1 8 8 ARG H H 1 8.632 0.01 . 1 . . . . . . . . 5996 1 14 . 1 1 8 8 ARG N N 15 120.526 0.10 . 1 . . . . . . . . 5996 1 15 . 1 1 9 9 ASN H H 1 8.673 0.01 . 1 . . . . . . . . 5996 1 16 . 1 1 9 9 ASN N N 15 115.302 0.10 . 1 . . . . . . . . 5996 1 17 . 1 1 10 10 PHE H H 1 7.832 0.01 . 1 . . . . . . . . 5996 1 18 . 1 1 10 10 PHE N N 15 121.842 0.10 . 1 . . . . . . . . 5996 1 19 . 1 1 11 11 ASN H H 1 7.710 0.01 . 1 . . . . . . . . 5996 1 20 . 1 1 11 11 ASN N N 15 127.727 0.10 . 1 . . . . . . . . 5996 1 21 . 1 1 12 12 VAL H H 1 8.172 0.01 . 1 . . . . . . . . 5996 1 22 . 1 1 12 12 VAL N N 15 123.609 0.10 . 1 . . . . . . . . 5996 1 23 . 1 1 13 13 GLU H H 1 8.097 0.01 . 1 . . . . . . . . 5996 1 24 . 1 1 13 13 GLU N N 15 118.489 0.10 . 1 . . . . . . . . 5996 1 25 . 1 1 14 14 LYS H H 1 7.351 0.01 . 1 . . . . . . . . 5996 1 26 . 1 1 14 14 LYS N N 15 115.140 0.10 . 1 . . . . . . . . 5996 1 27 . 1 1 15 15 ILE H H 1 7.681 0.01 . 1 . . . . . . . . 5996 1 28 . 1 1 15 15 ILE N N 15 110.300 0.10 . 1 . . . . . . . . 5996 1 29 . 1 1 16 16 ASN H H 1 7.137 0.01 . 1 . . . . . . . . 5996 1 30 . 1 1 16 16 ASN N N 15 119.523 0.10 . 1 . . . . . . . . 5996 1 31 . 1 1 17 17 GLY H H 1 9.401 0.01 . 1 . . . . . . . . 5996 1 32 . 1 1 17 17 GLY N N 15 111.924 0.10 . 1 . . . . . . . . 5996 1 33 . 1 1 18 18 GLU H H 1 8.386 0.01 . 1 . . . . . . . . 5996 1 34 . 1 1 18 18 GLU N N 15 121.661 0.10 . 1 . . . . . . . . 5996 1 35 . 1 1 19 19 TRP H H 1 7.476 0.01 . 1 . . . . . . . . 5996 1 36 . 1 1 19 19 TRP N N 15 122.365 0.10 . 1 . . . . . . . . 5996 1 37 . 1 1 20 20 HIS H H 1 8.932 0.01 . 1 . . . . . . . . 5996 1 38 . 1 1 20 20 HIS N N 15 112.684 0.10 . 1 . . . . . . . . 5996 1 39 . 1 1 21 21 THR H H 1 10.389 0.01 . 1 . . . . . . . . 5996 1 40 . 1 1 21 21 THR N N 15 122.737 0.10 . 1 . . . . . . . . 5996 1 41 . 1 1 22 22 ILE H H 1 8.971 0.01 . 1 . . . . . . . . 5996 1 42 . 1 1 22 22 ILE N N 15 127.793 0.10 . 1 . . . . . . . . 5996 1 43 . 1 1 23 23 ILE H H 1 7.534 0.01 . 1 . . . . . . . . 5996 1 44 . 1 1 23 23 ILE N N 15 115.011 0.10 . 1 . . . . . . . . 5996 1 45 . 1 1 24 24 LEU H H 1 8.272 0.01 . 1 . . . . . . . . 5996 1 46 . 1 1 24 24 LEU N N 15 123.133 0.10 . 1 . . . . . . . . 5996 1 47 . 1 1 25 25 ALA H H 1 9.113 0.01 . 1 . . . . . . . . 5996 1 48 . 1 1 25 25 ALA N N 15 122.592 0.10 . 1 . . . . . . . . 5996 1 49 . 1 1 26 26 SER H H 1 7.370 0.01 . 1 . . . . . . . . 5996 1 50 . 1 1 26 26 SER N N 15 112.728 0.10 . 1 . . . . . . . . 5996 1 51 . 1 1 27 27 ASP H H 1 8.695 0.01 . 1 . . . . . . . . 5996 1 52 . 1 1 27 27 ASP N N 15 123.016 0.10 . 1 . . . . . . . . 5996 1 53 . 1 1 28 28 LYS H H 1 8.263 0.01 . 1 . . . . . . . . 5996 1 54 . 1 1 28 28 LYS N N 15 122.827 0.10 . 1 . . . . . . . . 5996 1 55 . 1 1 29 29 ARG H H 1 8.619 0.01 . 1 . . . . . . . . 5996 1 56 . 1 1 29 29 ARG N N 15 127.156 0.10 . 1 . . . . . . . . 5996 1 57 . 1 1 30 30 GLU H H 1 9.403 0.01 . 1 . . . . . . . . 5996 1 58 . 1 1 30 30 GLU N N 15 115.068 0.10 . 1 . . . . . . . . 5996 1 59 . 1 1 31 31 LYS H H 1 7.483 0.01 . 1 . . . . . . . . 5996 1 60 . 1 1 31 31 LYS N N 15 116.324 0.10 . 1 . . . . . . . . 5996 1 61 . 1 1 32 32 ILE H H 1 7.545 0.01 . 1 . . . . . . . . 5996 1 62 . 1 1 32 32 ILE N N 15 106.532 0.10 . 1 . . . . . . . . 5996 1 63 . 1 1 33 33 GLU H H 1 6.633 0.01 . 1 . . . . . . . . 5996 1 64 . 1 1 33 33 GLU N N 15 121.398 0.10 . 1 . . . . . . . . 5996 1 65 . 1 1 34 34 ASP H H 1 8.440 0.01 . 1 . . . . . . . . 5996 1 66 . 1 1 34 34 ASP N N 15 118.288 0.10 . 1 . . . . . . . . 5996 1 67 . 1 1 35 35 ASN H H 1 8.888 0.01 . 1 . . . . . . . . 5996 1 68 . 1 1 35 35 ASN N N 15 116.847 0.10 . 1 . . . . . . . . 5996 1 69 . 1 1 36 36 GLY H H 1 8.792 0.01 . 1 . . . . . . . . 5996 1 70 . 1 1 36 36 GLY N N 15 109.966 0.10 . 1 . . . . . . . . 5996 1 71 . 1 1 37 37 ASN H H 1 9.336 0.01 . 1 . . . . . . . . 5996 1 72 . 1 1 37 37 ASN N N 15 121.331 0.10 . 1 . . . . . . . . 5996 1 73 . 1 1 38 38 PHE H H 1 8.670 0.01 . 1 . . . . . . . . 5996 1 74 . 1 1 38 38 PHE N N 15 115.519 0.10 . 1 . . . . . . . . 5996 1 75 . 1 1 39 39 ARG H H 1 7.131 0.01 . 1 . . . . . . . . 5996 1 76 . 1 1 39 39 ARG N N 15 123.979 0.10 . 1 . . . . . . . . 5996 1 77 . 1 1 40 40 LEU H H 1 6.782 0.01 . 1 . . . . . . . . 5996 1 78 . 1 1 40 40 LEU N N 15 124.226 0.10 . 1 . . . . . . . . 5996 1 79 . 1 1 41 41 PHE H H 1 8.503 0.01 . 1 . . . . . . . . 5996 1 80 . 1 1 41 41 PHE N N 15 123.051 0.10 . 1 . . . . . . . . 5996 1 81 . 1 1 42 42 LEU H H 1 8.491 0.01 . 1 . . . . . . . . 5996 1 82 . 1 1 42 42 LEU N N 15 129.122 0.10 . 1 . . . . . . . . 5996 1 83 . 1 1 43 43 GLU H H 1 9.025 0.01 . 1 . . . . . . . . 5996 1 84 . 1 1 43 43 GLU N N 15 121.331 0.10 . 1 . . . . . . . . 5996 1 85 . 1 1 44 44 GLN H H 1 7.359 0.01 . 1 . . . . . . . . 5996 1 86 . 1 1 44 44 GLN N N 15 115.165 0.10 . 1 . . . . . . . . 5996 1 87 . 1 1 45 45 ILE H H 1 8.792 0.01 . 1 . . . . . . . . 5996 1 88 . 1 1 45 45 ILE N N 15 120.966 0.10 . 1 . . . . . . . . 5996 1 89 . 1 1 46 46 HIS H H 1 9.413 0.01 . 1 . . . . . . . . 5996 1 90 . 1 1 46 46 HIS N N 15 127.214 0.10 . 1 . . . . . . . . 5996 1 91 . 1 1 47 47 VAL H H 1 8.836 0.01 . 1 . . . . . . . . 5996 1 92 . 1 1 47 47 VAL N N 15 128.058 0.10 . 1 . . . . . . . . 5996 1 93 . 1 1 48 48 LEU H H 1 8.245 0.01 . 1 . . . . . . . . 5996 1 94 . 1 1 48 48 LEU N N 15 130.193 0.10 . 1 . . . . . . . . 5996 1 95 . 1 1 49 49 GLU H H 1 8.469 0.01 . 1 . . . . . . . . 5996 1 96 . 1 1 49 49 GLU N N 15 120.118 0.10 . 1 . . . . . . . . 5996 1 97 . 1 1 50 50 ASN H H 1 8.640 0.01 . 1 . . . . . . . . 5996 1 98 . 1 1 50 50 ASN N N 15 114.900 0.10 . 1 . . . . . . . . 5996 1 99 . 1 1 51 51 SER H H 1 7.503 0.01 . 1 . . . . . . . . 5996 1 100 . 1 1 51 51 SER N N 15 112.365 0.10 . 1 . . . . . . . . 5996 1 101 . 1 1 52 52 LEU H H 1 9.227 0.01 . 1 . . . . . . . . 5996 1 102 . 1 1 52 52 LEU N N 15 119.055 0.10 . 1 . . . . . . . . 5996 1 103 . 1 1 53 53 VAL H H 1 9.246 0.01 . 1 . . . . . . . . 5996 1 104 . 1 1 53 53 VAL N N 15 123.001 0.10 . 1 . . . . . . . . 5996 1 105 . 1 1 54 54 LEU H H 1 9.118 0.01 . 1 . . . . . . . . 5996 1 106 . 1 1 54 54 LEU N N 15 129.357 0.10 . 1 . . . . . . . . 5996 1 107 . 1 1 55 55 LYS H H 1 8.013 0.01 . 1 . . . . . . . . 5996 1 108 . 1 1 55 55 LYS N N 15 122.330 0.10 . 1 . . . . . . . . 5996 1 109 . 1 1 56 56 PHE H H 1 9.253 0.01 . 1 . . . . . . . . 5996 1 110 . 1 1 56 56 PHE N N 15 122.623 0.10 . 1 . . . . . . . . 5996 1 111 . 1 1 57 57 HIS H H 1 9.065 0.01 . 1 . . . . . . . . 5996 1 112 . 1 1 57 57 HIS N N 15 113.986 0.10 . 1 . . . . . . . . 5996 1 113 . 1 1 58 58 THR H H 1 9.072 0.01 . 1 . . . . . . . . 5996 1 114 . 1 1 58 58 THR N N 15 113.296 0.10 . 1 . . . . . . . . 5996 1 115 . 1 1 59 59 VAL H H 1 8.939 0.01 . 1 . . . . . . . . 5996 1 116 . 1 1 59 59 VAL N N 15 122.952 0.10 . 1 . . . . . . . . 5996 1 117 . 1 1 60 60 ARG H H 1 8.427 0.01 . 1 . . . . . . . . 5996 1 118 . 1 1 60 60 ARG N N 15 127.731 0.10 . 1 . . . . . . . . 5996 1 119 . 1 1 61 61 ASP H H 1 9.454 0.01 . 1 . . . . . . . . 5996 1 120 . 1 1 61 61 ASP N N 15 127.479 0.10 . 1 . . . . . . . . 5996 1 121 . 1 1 62 62 GLU H H 1 8.422 0.01 . 1 . . . . . . . . 5996 1 122 . 1 1 62 62 GLU N N 15 110.639 0.10 . 1 . . . . . . . . 5996 1 123 . 1 1 63 63 GLU H H 1 8.017 0.01 . 1 . . . . . . . . 5996 1 124 . 1 1 63 63 GLU N N 15 120.381 0.10 . 1 . . . . . . . . 5996 1 125 . 1 1 64 64 CYS H H 1 8.973 0.01 . 1 . . . . . . . . 5996 1 126 . 1 1 64 64 CYS N N 15 124.454 0.10 . 1 . . . . . . . . 5996 1 127 . 1 1 65 65 SER H H 1 8.848 0.01 . 1 . . . . . . . . 5996 1 128 . 1 1 65 65 SER N N 15 118.342 0.10 . 1 . . . . . . . . 5996 1 129 . 1 1 66 66 GLU H H 1 8.700 0.01 . 1 . . . . . . . . 5996 1 130 . 1 1 66 66 GLU N N 15 123.806 0.10 . 1 . . . . . . . . 5996 1 131 . 1 1 67 67 LEU H H 1 8.607 0.01 . 1 . . . . . . . . 5996 1 132 . 1 1 67 67 LEU N N 15 124.866 0.10 . 1 . . . . . . . . 5996 1 133 . 1 1 68 68 SER H H 1 8.580 0.01 . 1 . . . . . . . . 5996 1 134 . 1 1 68 68 SER N N 15 118.844 0.10 . 1 . . . . . . . . 5996 1 135 . 1 1 69 69 MET H H 1 9.093 0.01 . 1 . . . . . . . . 5996 1 136 . 1 1 69 69 MET N N 15 120.332 0.10 . 1 . . . . . . . . 5996 1 137 . 1 1 70 70 VAL H H 1 8.592 0.01 . 1 . . . . . . . . 5996 1 138 . 1 1 70 70 VAL N N 15 121.766 0.10 . 1 . . . . . . . . 5996 1 139 . 1 1 71 71 ALA H H 1 9.493 0.01 . 1 . . . . . . . . 5996 1 140 . 1 1 71 71 ALA N N 15 130.490 0.10 . 1 . . . . . . . . 5996 1 141 . 1 1 72 72 ASP H H 1 8.931 0.01 . 1 . . . . . . . . 5996 1 142 . 1 1 72 72 ASP N N 15 123.306 0.10 . 1 . . . . . . . . 5996 1 143 . 1 1 73 73 LYS H H 1 8.166 0.01 . 1 . . . . . . . . 5996 1 144 . 1 1 73 73 LYS N N 15 121.068 0.10 . 1 . . . . . . . . 5996 1 145 . 1 1 74 74 THR H H 1 7.836 0.01 . 1 . . . . . . . . 5996 1 146 . 1 1 74 74 THR N N 15 114.949 0.10 . 1 . . . . . . . . 5996 1 147 . 1 1 75 75 GLU H H 1 8.699 0.01 . 1 . . . . . . . . 5996 1 148 . 1 1 75 75 GLU N N 15 116.983 0.10 . 1 . . . . . . . . 5996 1 149 . 1 1 76 76 LYS H H 1 8.050 0.01 . 1 . . . . . . . . 5996 1 150 . 1 1 76 76 LYS N N 15 122.350 0.10 . 1 . . . . . . . . 5996 1 151 . 1 1 77 77 ALA H H 1 8.275 0.01 . 1 . . . . . . . . 5996 1 152 . 1 1 77 77 ALA N N 15 127.559 0.10 . 1 . . . . . . . . 5996 1 153 . 1 1 78 78 GLY H H 1 8.417 0.01 . 1 . . . . . . . . 5996 1 154 . 1 1 78 78 GLY N N 15 108.321 0.10 . 1 . . . . . . . . 5996 1 155 . 1 1 79 79 GLU H H 1 7.279 0.01 . 1 . . . . . . . . 5996 1 156 . 1 1 79 79 GLU N N 15 120.481 0.10 . 1 . . . . . . . . 5996 1 157 . 1 1 80 80 TYR H H 1 8.447 0.01 . 1 . . . . . . . . 5996 1 158 . 1 1 80 80 TYR N N 15 125.783 0.10 . 1 . . . . . . . . 5996 1 159 . 1 1 81 81 SER H H 1 9.623 0.01 . 1 . . . . . . . . 5996 1 160 . 1 1 81 81 SER N N 15 114.459 0.10 . 1 . . . . . . . . 5996 1 161 . 1 1 82 82 VAL H H 1 8.593 0.01 . 1 . . . . . . . . 5996 1 162 . 1 1 82 82 VAL N N 15 117.228 0.10 . 1 . . . . . . . . 5996 1 163 . 1 1 83 83 THR H H 1 9.337 0.01 . 1 . . . . . . . . 5996 1 164 . 1 1 83 83 THR N N 15 129.089 0.10 . 1 . . . . . . . . 5996 1 165 . 1 1 84 84 TYR H H 1 8.727 0.01 . 1 . . . . . . . . 5996 1 166 . 1 1 84 84 TYR N N 15 128.752 0.10 . 1 . . . . . . . . 5996 1 167 . 1 1 85 85 ASP H H 1 8.617 0.01 . 1 . . . . . . . . 5996 1 168 . 1 1 85 85 ASP N N 15 129.989 0.10 . 1 . . . . . . . . 5996 1 169 . 1 1 86 86 GLY H H 1 7.860 0.01 . 1 . . . . . . . . 5996 1 170 . 1 1 86 86 GLY N N 15 103.311 0.10 . 1 . . . . . . . . 5996 1 171 . 1 1 87 87 PHE H H 1 8.781 0.01 . 1 . . . . . . . . 5996 1 172 . 1 1 87 87 PHE N N 15 120.195 0.10 . 1 . . . . . . . . 5996 1 173 . 1 1 88 88 ASN H H 1 7.897 0.01 . 1 . . . . . . . . 5996 1 174 . 1 1 88 88 ASN N N 15 123.436 0.10 . 1 . . . . . . . . 5996 1 175 . 1 1 89 89 THR H H 1 8.741 0.01 . 1 . . . . . . . . 5996 1 176 . 1 1 89 89 THR N N 15 112.689 0.10 . 1 . . . . . . . . 5996 1 177 . 1 1 90 90 PHE H H 1 9.410 0.01 . 1 . . . . . . . . 5996 1 178 . 1 1 90 90 PHE N N 15 117.966 0.10 . 1 . . . . . . . . 5996 1 179 . 1 1 91 91 THR H H 1 8.784 0.01 . 1 . . . . . . . . 5996 1 180 . 1 1 91 91 THR N N 15 108.472 0.10 . 1 . . . . . . . . 5996 1 181 . 1 1 92 92 ILE H H 1 8.293 0.01 . 1 . . . . . . . . 5996 1 182 . 1 1 92 92 ILE N N 15 119.496 0.10 . 1 . . . . . . . . 5996 1 183 . 1 1 93 93 PRO N N 15 111.893 0.10 . 1 . . . . . . . . 5996 1 184 . 1 1 94 94 LYS H H 1 6.983 0.01 . 1 . . . . . . . . 5996 1 185 . 1 1 95 95 THR H H 1 8.821 0.01 . 1 . . . . . . . . 5996 1 186 . 1 1 95 95 THR N N 15 119.165 0.10 . 1 . . . . . . . . 5996 1 187 . 1 1 96 96 ASP H H 1 6.928 0.01 . 1 . . . . . . . . 5996 1 188 . 1 1 96 96 ASP N N 15 124.991 0.10 . 1 . . . . . . . . 5996 1 189 . 1 1 97 97 TYR H H 1 8.769 0.01 . 1 . . . . . . . . 5996 1 190 . 1 1 97 97 TYR N N 15 115.881 0.10 . 1 . . . . . . . . 5996 1 191 . 1 1 98 98 ASP H H 1 9.319 0.01 . 1 . . . . . . . . 5996 1 192 . 1 1 98 98 ASP N N 15 119.910 0.10 . 1 . . . . . . . . 5996 1 193 . 1 1 99 99 ASN H H 1 9.025 0.01 . 1 . . . . . . . . 5996 1 194 . 1 1 99 99 ASN N N 15 116.859 0.10 . 1 . . . . . . . . 5996 1 195 . 1 1 100 100 PHE H H 1 9.793 0.01 . 1 . . . . . . . . 5996 1 196 . 1 1 100 100 PHE N N 15 117.749 0.10 . 1 . . . . . . . . 5996 1 197 . 1 1 101 101 LEU H H 1 9.338 0.01 . 1 . . . . . . . . 5996 1 198 . 1 1 101 101 LEU N N 15 126.418 0.10 . 1 . . . . . . . . 5996 1 199 . 1 1 102 102 MET H H 1 9.159 0.01 . 1 . . . . . . . . 5996 1 200 . 1 1 102 102 MET N N 15 125.394 0.10 . 1 . . . . . . . . 5996 1 201 . 1 1 103 103 ALA H H 1 9.431 0.01 . 1 . . . . . . . . 5996 1 202 . 1 1 103 103 ALA N N 15 122.811 0.10 . 1 . . . . . . . . 5996 1 203 . 1 1 104 104 HIS H H 1 8.626 0.01 . 1 . . . . . . . . 5996 1 204 . 1 1 104 104 HIS N N 15 120.857 0.10 . 1 . . . . . . . . 5996 1 205 . 1 1 105 105 LEU H H 1 9.727 0.01 . 1 . . . . . . . . 5996 1 206 . 1 1 105 105 LEU N N 15 132.297 0.10 . 1 . . . . . . . . 5996 1 207 . 1 1 106 106 ILE H H 1 9.111 0.01 . 1 . . . . . . . . 5996 1 208 . 1 1 106 106 ILE N N 15 125.500 0.10 . 1 . . . . . . . . 5996 1 209 . 1 1 107 107 ASN H H 1 8.329 0.01 . 1 . . . . . . . . 5996 1 210 . 1 1 107 107 ASN N N 15 128.527 0.10 . 1 . . . . . . . . 5996 1 211 . 1 1 108 108 GLU H H 1 8.835 0.01 . 1 . . . . . . . . 5996 1 212 . 1 1 108 108 GLU N N 15 124.089 0.10 . 1 . . . . . . . . 5996 1 213 . 1 1 109 109 LYS H H 1 8.672 0.01 . 1 . . . . . . . . 5996 1 214 . 1 1 109 109 LYS N N 15 126.291 0.10 . 1 . . . . . . . . 5996 1 215 . 1 1 110 110 ASP H H 1 9.490 0.01 . 1 . . . . . . . . 5996 1 216 . 1 1 110 110 ASP N N 15 128.992 0.10 . 1 . . . . . . . . 5996 1 217 . 1 1 111 111 GLY H H 1 8.797 0.01 . 1 . . . . . . . . 5996 1 218 . 1 1 111 111 GLY N N 15 104.767 0.10 . 1 . . . . . . . . 5996 1 219 . 1 1 112 112 GLU H H 1 7.973 0.01 . 1 . . . . . . . . 5996 1 220 . 1 1 112 112 GLU N N 15 120.606 0.10 . 1 . . . . . . . . 5996 1 221 . 1 1 113 113 THR H H 1 8.716 0.01 . 1 . . . . . . . . 5996 1 222 . 1 1 113 113 THR N N 15 117.578 0.10 . 1 . . . . . . . . 5996 1 223 . 1 1 114 114 PHE H H 1 8.368 0.01 . 1 . . . . . . . . 5996 1 224 . 1 1 114 114 PHE N N 15 120.362 0.10 . 1 . . . . . . . . 5996 1 225 . 1 1 115 115 GLN H H 1 10.024 0.01 . 1 . . . . . . . . 5996 1 226 . 1 1 115 115 GLN N N 15 118.461 0.10 . 1 . . . . . . . . 5996 1 227 . 1 1 116 116 LEU H H 1 9.392 0.01 . 1 . . . . . . . . 5996 1 228 . 1 1 116 116 LEU N N 15 126.172 0.10 . 1 . . . . . . . . 5996 1 229 . 1 1 117 117 MET H H 1 9.534 0.01 . 1 . . . . . . . . 5996 1 230 . 1 1 117 117 MET N N 15 125.059 0.10 . 1 . . . . . . . . 5996 1 231 . 1 1 118 118 GLY H H 1 8.903 0.01 . 1 . . . . . . . . 5996 1 232 . 1 1 118 118 GLY N N 15 108.770 0.10 . 1 . . . . . . . . 5996 1 233 . 1 1 119 119 LEU H H 1 8.345 0.01 . 1 . . . . . . . . 5996 1 234 . 1 1 119 119 LEU N N 15 124.278 0.10 . 1 . . . . . . . . 5996 1 235 . 1 1 120 120 TYR H H 1 9.388 0.01 . 1 . . . . . . . . 5996 1 236 . 1 1 120 120 TYR N N 15 126.582 0.10 . 1 . . . . . . . . 5996 1 237 . 1 1 121 121 GLY H H 1 9.560 0.01 . 1 . . . . . . . . 5996 1 238 . 1 1 121 121 GLY N N 15 108.387 0.10 . 1 . . . . . . . . 5996 1 239 . 1 1 122 122 ARG H H 1 8.369 0.01 . 1 . . . . . . . . 5996 1 240 . 1 1 122 122 ARG N N 15 122.565 0.10 . 1 . . . . . . . . 5996 1 241 . 1 1 123 123 GLU H H 1 8.442 0.01 . 1 . . . . . . . . 5996 1 242 . 1 1 123 123 GLU N N 15 118.673 0.10 . 1 . . . . . . . . 5996 1 243 . 1 1 125 125 ASP H H 1 7.188 0.01 . 1 . . . . . . . . 5996 1 244 . 1 1 125 125 ASP N N 15 113.878 0.10 . 1 . . . . . . . . 5996 1 245 . 1 1 126 126 LEU H H 1 8.511 0.01 . 1 . . . . . . . . 5996 1 246 . 1 1 126 126 LEU N N 15 119.454 0.10 . 1 . . . . . . . . 5996 1 247 . 1 1 127 127 SER H H 1 8.195 0.01 . 1 . . . . . . . . 5996 1 248 . 1 1 127 127 SER N N 15 114.483 0.10 . 1 . . . . . . . . 5996 1 249 . 1 1 128 128 SER H H 1 8.980 0.01 . 1 . . . . . . . . 5996 1 250 . 1 1 128 128 SER N N 15 118.054 0.10 . 1 . . . . . . . . 5996 1 251 . 1 1 129 129 ASP H H 1 8.506 0.01 . 1 . . . . . . . . 5996 1 252 . 1 1 129 129 ASP N N 15 120.888 0.10 . 1 . . . . . . . . 5996 1 253 . 1 1 130 130 ILE H H 1 7.406 0.01 . 1 . . . . . . . . 5996 1 254 . 1 1 130 130 ILE N N 15 121.650 0.10 . 1 . . . . . . . . 5996 1 255 . 1 1 131 131 LYS H H 1 7.619 0.01 . 1 . . . . . . . . 5996 1 256 . 1 1 131 131 LYS N N 15 119.254 0.10 . 1 . . . . . . . . 5996 1 257 . 1 1 132 132 GLU H H 1 8.238 0.01 . 1 . . . . . . . . 5996 1 258 . 1 1 132 132 GLU N N 15 121.143 0.10 . 1 . . . . . . . . 5996 1 259 . 1 1 133 133 ARG H H 1 7.842 0.01 . 1 . . . . . . . . 5996 1 260 . 1 1 133 133 ARG N N 15 120.706 0.10 . 1 . . . . . . . . 5996 1 261 . 1 1 134 134 PHE H H 1 8.421 0.01 . 1 . . . . . . . . 5996 1 262 . 1 1 134 134 PHE N N 15 120.340 0.10 . 1 . . . . . . . . 5996 1 263 . 1 1 135 135 ALA H H 1 8.342 0.01 . 1 . . . . . . . . 5996 1 264 . 1 1 135 135 ALA N N 15 124.617 0.10 . 1 . . . . . . . . 5996 1 265 . 1 1 136 136 GLN H H 1 8.088 0.01 . 1 . . . . . . . . 5996 1 266 . 1 1 136 136 GLN N N 15 116.119 0.10 . 1 . . . . . . . . 5996 1 267 . 1 1 137 137 LEU H H 1 7.545 0.01 . 1 . . . . . . . . 5996 1 268 . 1 1 137 137 LEU N N 15 123.140 0.10 . 1 . . . . . . . . 5996 1 269 . 1 1 138 138 CYS H H 1 8.022 0.01 . 1 . . . . . . . . 5996 1 270 . 1 1 138 138 CYS N N 15 118.786 0.10 . 1 . . . . . . . . 5996 1 271 . 1 1 139 139 GLU H H 1 7.987 0.01 . 1 . . . . . . . . 5996 1 272 . 1 1 139 139 GLU N N 15 120.609 0.10 . 1 . . . . . . . . 5996 1 273 . 1 1 140 140 LYS H H 1 7.739 0.01 . 1 . . . . . . . . 5996 1 274 . 1 1 140 140 LYS N N 15 120.700 0.10 . 1 . . . . . . . . 5996 1 275 . 1 1 141 141 HIS H H 1 7.453 0.01 . 1 . . . . . . . . 5996 1 276 . 1 1 141 141 HIS N N 15 115.962 0.10 . 1 . . . . . . . . 5996 1 277 . 1 1 142 142 GLY H H 1 7.775 0.01 . 1 . . . . . . . . 5996 1 278 . 1 1 142 142 GLY N N 15 106.807 0.10 . 1 . . . . . . . . 5996 1 279 . 1 1 143 143 ILE H H 1 7.839 0.01 . 1 . . . . . . . . 5996 1 280 . 1 1 143 143 ILE N N 15 122.924 0.10 . 1 . . . . . . . . 5996 1 281 . 1 1 144 144 LEU H H 1 8.019 0.01 . 1 . . . . . . . . 5996 1 282 . 1 1 144 144 LEU N N 15 125.106 0.10 . 1 . . . . . . . . 5996 1 283 . 1 1 145 145 ARG H H 1 8.667 0.01 . 1 . . . . . . . . 5996 1 284 . 1 1 145 145 ARG N N 15 119.781 0.10 . 1 . . . . . . . . 5996 1 285 . 1 1 146 146 GLU H H 1 8.810 0.01 . 1 . . . . . . . . 5996 1 286 . 1 1 146 146 GLU N N 15 116.749 0.10 . 1 . . . . . . . . 5996 1 287 . 1 1 147 147 ASN H H 1 8.214 0.01 . 1 . . . . . . . . 5996 1 288 . 1 1 147 147 ASN N N 15 120.859 0.10 . 1 . . . . . . . . 5996 1 289 . 1 1 148 148 ILE H H 1 7.110 0.01 . 1 . . . . . . . . 5996 1 290 . 1 1 148 148 ILE N N 15 118.491 0.10 . 1 . . . . . . . . 5996 1 291 . 1 1 149 149 ILE H H 1 9.367 0.01 . 1 . . . . . . . . 5996 1 292 . 1 1 149 149 ILE N N 15 128.783 0.10 . 1 . . . . . . . . 5996 1 293 . 1 1 150 150 ASP H H 1 8.703 0.01 . 1 . . . . . . . . 5996 1 294 . 1 1 150 150 ASP N N 15 127.365 0.10 . 1 . . . . . . . . 5996 1 295 . 1 1 151 151 LEU H H 1 9.019 0.01 . 1 . . . . . . . . 5996 1 296 . 1 1 151 151 LEU N N 15 130.437 0.10 . 1 . . . . . . . . 5996 1 297 . 1 1 152 152 SER H H 1 9.046 0.01 . 1 . . . . . . . . 5996 1 298 . 1 1 152 152 SER N N 15 118.980 0.10 . 1 . . . . . . . . 5996 1 299 . 1 1 153 153 ASN H H 1 8.399 0.01 . 1 . . . . . . . . 5996 1 300 . 1 1 153 153 ASN N N 15 117.700 0.10 . 1 . . . . . . . . 5996 1 301 . 1 1 154 154 ALA H H 1 7.830 0.01 . 1 . . . . . . . . 5996 1 302 . 1 1 154 154 ALA N N 15 122.605 0.10 . 1 . . . . . . . . 5996 1 303 . 1 1 155 155 ASN H H 1 7.986 0.01 . 1 . . . . . . . . 5996 1 304 . 1 1 155 155 ASN N N 15 117.043 0.10 . 1 . . . . . . . . 5996 1 305 . 1 1 156 156 ARG H H 1 7.916 0.01 . 1 . . . . . . . . 5996 1 306 . 1 1 156 156 ARG N N 15 122.170 0.10 . 1 . . . . . . . . 5996 1 307 . 1 1 157 157 CYS H H 1 8.319 0.01 . 1 . . . . . . . . 5996 1 308 . 1 1 157 157 CYS N N 15 118.221 0.10 . 1 . . . . . . . . 5996 1 309 . 1 1 158 158 LEU H H 1 8.103 0.01 . 1 . . . . . . . . 5996 1 310 . 1 1 158 158 LEU N N 15 122.760 0.10 . 1 . . . . . . . . 5996 1 311 . 1 1 159 159 GLN H H 1 8.316 0.01 . 1 . . . . . . . . 5996 1 312 . 1 1 159 159 GLN N N 15 120.951 0.10 . 1 . . . . . . . . 5996 1 313 . 1 1 160 160 ALA H H 1 8.235 0.01 . 1 . . . . . . . . 5996 1 314 . 1 1 160 160 ALA N N 15 125.851 0.10 . 1 . . . . . . . . 5996 1 315 . 1 1 161 161 ARG H H 1 8.229 0.01 . 1 . . . . . . . . 5996 1 316 . 1 1 161 161 ARG N N 15 121.126 0.10 . 1 . . . . . . . . 5996 1 317 . 1 1 162 162 GLU H H 1 7.996 0.01 . 1 . . . . . . . . 5996 1 318 . 1 1 162 162 GLU N N 15 127.051 0.10 . 1 . . . . . . . . 5996 1 stop_ save_