################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 26628 _Assigned_chem_shift_list.ID 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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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 '3D CBCA(CO)NH' . . . 26628 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 9 9 SER H H 1 8.276 0.02 . 1 . . . . 2 SER H . 26628 1 2 . 1 1 9 9 SER N N 15 116.632 0.2 . 1 . . . . 2 SER N . 26628 1 3 . 1 1 10 10 ASN H H 1 8.496 0.02 . 1 . . . . 3 ASN H . 26628 1 4 . 1 1 10 10 ASN N N 15 121.903 0.2 . 1 . . . . 3 ASN N . 26628 1 5 . 1 1 11 11 GLY H H 1 8.255 0.02 . 1 . . . . 4 GLY H . 26628 1 6 . 1 1 11 11 GLY N N 15 108.87 0.2 . 1 . . . . 4 GLY N . 26628 1 7 . 1 1 12 12 TYR H H 1 7.924 0.02 . 1 . . . . 5 TYR H . 26628 1 8 . 1 1 12 12 TYR N N 15 119.926 0.2 . 1 . . . . 5 TYR N . 26628 1 9 . 1 1 14 14 ASP H H 1 8.126 0.02 . 1 . . . . 7 ASP H . 26628 1 10 . 1 1 14 14 ASP N N 15 120.867 0.2 . 1 . . . . 7 ASP N . 26628 1 11 . 1 1 16 16 MET H H 1 8.22 0.02 . 1 . . . . 9 MET H . 26628 1 12 . 1 1 16 16 MET N N 15 122.106 0.2 . 1 . . . . 9 MET N . 26628 1 13 . 1 1 17 17 ALA H H 1 8.457 0.02 . 1 . . . . 10 ALA H . 26628 1 14 . 1 1 17 17 ALA N N 15 124.901 0.2 . 1 . . . . 10 ALA N . 26628 1 15 . 1 1 18 18 GLU H H 1 8.372 0.02 . 1 . . . . 11 GLU H . 26628 1 16 . 1 1 18 18 GLU N N 15 119.689 0.2 . 1 . . . . 11 GLU N . 26628 1 17 . 1 1 19 19 ASP H H 1 8.304 0.02 . 1 . . . . 12 ASP H . 26628 1 18 . 1 1 19 19 ASP N N 15 121.396 0.2 . 1 . . . . 12 ASP N . 26628 1 19 . 1 1 20 20 CYS H H 1 8.199 0.02 . 1 . . . . 13 CYS H . 26628 1 20 . 1 1 20 20 CYS N N 15 119.839 0.2 . 1 . . . . 13 CYS N . 26628 1 21 . 1 1 21 21 ARG H H 1 8.206 0.02 . 1 . . . . 14 ARG H . 26628 1 22 . 1 1 21 21 ARG N N 15 122.538 0.2 . 1 . . . . 14 ARG N . 26628 1 23 . 1 1 22 22 GLY H H 1 8.234 0.02 . 1 . . . . 15 GLY H . 26628 1 24 . 1 1 22 22 GLY N N 15 108.822 0.2 . 1 . . . . 15 GLY N . 26628 1 25 . 1 1 23 23 ASP H H 1 8.164 0.02 . 1 . . . . 16 ASP H . 26628 1 26 . 1 1 23 23 ASP N N 15 120.336 0.2 . 1 . . . . 16 ASP N . 26628 1 27 . 1 1 24 24 ILE H H 1 7.84 0.02 . 1 . . . . 17 ILE H . 26628 1 28 . 1 1 24 24 ILE N N 15 119.774 0.2 . 1 . . . . 17 ILE N . 26628 1 29 . 1 1 25 25 GLY H H 1 8.405 0.02 . 1 . . . . 18 GLY H . 26628 1 30 . 1 1 25 25 GLY N N 15 111.35 0.2 . 1 . . . . 18 GLY N . 26628 1 31 . 1 1 27 27 THR H H 1 8.069 0.02 . 1 . . . . 20 THR H . 26628 1 32 . 1 1 27 27 THR N N 15 108.853 0.2 . 1 . . . . 20 THR N . 26628 1 33 . 1 1 28 28 ASN H H 1 7.764 0.02 . 1 . . . . 21 ASN H . 26628 1 34 . 1 1 28 28 ASN N N 15 120.406 0.2 . 1 . . . . 21 ASN N . 26628 1 35 . 1 1 29 29 LEU H H 1 9.614 0.02 . 1 . . . . 22 LEU H . 26628 1 36 . 1 1 29 29 LEU N N 15 127.194 0.2 . 1 . . . . 22 LEU N . 26628 1 37 . 1 1 30 30 ILE H H 1 9.154 0.02 . 1 . . . . 23 ILE H . 26628 1 38 . 1 1 30 30 ILE N N 15 121.436 0.2 . 1 . . . . 23 ILE N . 26628 1 39 . 1 1 31 31 VAL H H 1 8.573 0.02 . 1 . . . . 24 VAL H . 26628 1 40 . 1 1 31 31 VAL N N 15 128.388 0.2 . 1 . . . . 24 VAL N . 26628 1 41 . 1 1 33 33 TYR H H 1 8.297 0.02 . 1 . . . . 26 TYR H . 26628 1 42 . 1 1 33 33 TYR N N 15 114.589 0.2 . 1 . . . . 26 TYR N . 26628 1 43 . 1 1 34 34 LEU H H 1 8.177 0.02 . 1 . . . . 27 LEU H . 26628 1 44 . 1 1 34 34 LEU N N 15 112.331 0.2 . 1 . . . . 27 LEU N . 26628 1 45 . 1 1 36 36 GLN H H 1 9.093 0.02 . 1 . . . . 29 GLN H . 26628 1 46 . 1 1 36 36 GLN N N 15 123.652 0.2 . 1 . . . . 29 GLN N . 26628 1 47 . 1 1 37 37 ASN H H 1 7.848 0.02 . 1 . . . . 30 ASN H . 26628 1 48 . 1 1 37 37 ASN N N 15 114.234 0.2 . 1 . . . . 30 ASN N . 26628 1 49 . 1 1 38 38 MET H H 1 7.193 0.02 . 1 . . . . 31 MET H . 26628 1 50 . 1 1 38 38 MET N N 15 121.674 0.2 . 1 . . . . 31 MET N . 26628 1 51 . 1 1 39 39 THR H H 1 8.542 0.02 . 1 . . . . 32 THR H . 26628 1 52 . 1 1 39 39 THR N N 15 118.778 0.2 . 1 . . . . 32 THR N . 26628 1 53 . 1 1 40 40 GLN H H 1 9.116 0.02 . 1 . . . . 33 GLN H . 26628 1 54 . 1 1 40 40 GLN N N 15 121.049 0.2 . 1 . . . . 33 GLN N . 26628 1 55 . 1 1 41 41 ASP H H 1 8.312 0.02 . 1 . . . . 34 ASP H . 26628 1 56 . 1 1 41 41 ASP N N 15 118.079 0.2 . 1 . . . . 34 ASP N . 26628 1 57 . 1 1 42 42 GLU H H 1 7.595 0.02 . 1 . . . . 35 GLU H . 26628 1 58 . 1 1 42 42 GLU N N 15 121.468 0.2 . 1 . . . . 35 GLU N . 26628 1 59 . 1 1 43 43 LEU H H 1 8.126 0.02 . 1 . . . . 36 LEU H . 26628 1 60 . 1 1 43 43 LEU N N 15 123.096 0.2 . 1 . . . . 36 LEU N . 26628 1 61 . 1 1 44 44 ARG H H 1 8.231 0.02 . 1 . . . . 37 ARG H . 26628 1 62 . 1 1 44 44 ARG N N 15 118.1 0.2 . 1 . . . . 37 ARG N . 26628 1 63 . 1 1 45 45 SER H H 1 8.461 0.02 . 1 . . . . 38 SER H . 26628 1 64 . 1 1 45 45 SER N N 15 116.048 0.2 . 1 . . . . 38 SER N . 26628 1 65 . 1 1 46 46 LEU H H 1 8.004 0.02 . 1 . . . . 39 LEU H . 26628 1 66 . 1 1 46 46 LEU N N 15 122.458 0.2 . 1 . . . . 39 LEU N . 26628 1 67 . 1 1 47 47 PHE H H 1 7.836 0.02 . 1 . . . . 40 PHE H . 26628 1 68 . 1 1 47 47 PHE N N 15 116.813 0.2 . 1 . . . . 40 PHE N . 26628 1 69 . 1 1 48 48 SER H H 1 8.892 0.02 . 1 . . . . 41 SER H . 26628 1 70 . 1 1 48 48 SER N N 15 121.403 0.2 . 1 . . . . 41 SER N . 26628 1 71 . 1 1 49 49 SER H H 1 7.249 0.02 . 1 . . . . 42 SER H . 26628 1 72 . 1 1 49 49 SER N N 15 115.697 0.2 . 1 . . . . 42 SER N . 26628 1 73 . 1 1 50 50 ILE H H 1 7.04 0.02 . 1 . . . . 43 ILE H . 26628 1 74 . 1 1 50 50 ILE N N 15 120.067 0.2 . 1 . . . . 43 ILE N . 26628 1 75 . 1 1 51 51 GLY H H 1 7.081 0.02 . 1 . . . . 44 GLY H . 26628 1 76 . 1 1 51 51 GLY N N 15 104.604 0.2 . 1 . . . . 44 GLY N . 26628 1 77 . 1 1 52 52 GLU H H 1 8.162 0.02 . 1 . . . . 45 GLU H . 26628 1 78 . 1 1 52 52 GLU N N 15 117.149 0.2 . 1 . . . . 45 GLU N . 26628 1 79 . 1 1 53 53 VAL H H 1 8.888 0.02 . 1 . . . . 46 VAL H . 26628 1 80 . 1 1 53 53 VAL N N 15 129.136 0.2 . 1 . . . . 46 VAL N . 26628 1 81 . 1 1 54 54 GLU H H 1 9.152 0.02 . 1 . . . . 47 GLU H . 26628 1 82 . 1 1 54 54 GLU N N 15 130.976 0.2 . 1 . . . . 47 GLU N . 26628 1 83 . 1 1 55 55 SER H H 1 7.549 0.02 . 1 . . . . 48 SER H . 26628 1 84 . 1 1 55 55 SER N N 15 109.142 0.2 . 1 . . . . 48 SER N . 26628 1 85 . 1 1 56 56 ALA H H 1 8.053 0.02 . 1 . . . . 49 ALA H . 26628 1 86 . 1 1 56 56 ALA N N 15 122.959 0.2 . 1 . . . . 49 ALA N . 26628 1 87 . 1 1 58 58 LEU H H 1 8.655 0.02 . 1 . . . . 51 LEU H . 26628 1 88 . 1 1 58 58 LEU N N 15 126.704 0.2 . 1 . . . . 51 LEU N . 26628 1 89 . 1 1 59 59 ILE H H 1 8.147 0.02 . 1 . . . . 52 ILE H . 26628 1 90 . 1 1 59 59 ILE N N 15 127.566 0.2 . 1 . . . . 52 ILE N . 26628 1 91 . 1 1 60 60 ARG H H 1 8.015 0.02 . 1 . . . . 53 ARG H . 26628 1 92 . 1 1 60 60 ARG N N 15 124.789 0.2 . 1 . . . . 53 ARG N . 26628 1 93 . 1 1 62 62 LYS H H 1 8.565 0.02 . 1 . . . . 55 LYS H . 26628 1 94 . 1 1 62 62 LYS N N 15 122.975 0.2 . 1 . . . . 55 LYS N . 26628 1 95 . 1 1 63 63 VAL H H 1 7.998 0.02 . 1 . . . . 56 VAL H . 26628 1 96 . 1 1 63 63 VAL N N 15 119.251 0.2 . 1 . . . . 56 VAL N . 26628 1 97 . 1 1 65 65 GLY H H 1 7.629 0.02 . 1 . . . . 58 GLY H . 26628 1 98 . 1 1 65 65 GLY N N 15 105.16 0.2 . 1 . . . . 58 GLY N . 26628 1 99 . 1 1 66 66 HIS H H 1 7.715 0.02 . 1 . . . . 59 HIS H . 26628 1 100 . 1 1 66 66 HIS N N 15 118.365 0.2 . 1 . . . . 59 HIS N . 26628 1 101 . 1 1 67 67 SER H H 1 8.783 0.02 . 1 . . . . 60 SER H . 26628 1 102 . 1 1 67 67 SER N N 15 114.187 0.2 . 1 . . . . 60 SER N . 26628 1 103 . 1 1 68 68 LEU H H 1 8.979 0.02 . 1 . . . . 61 LEU H . 26628 1 104 . 1 1 68 68 LEU N N 15 125.587 0.2 . 1 . . . . 61 LEU N . 26628 1 105 . 1 1 69 69 GLY H H 1 9.131 0.02 . 1 . . . . 62 GLY H . 26628 1 106 . 1 1 69 69 GLY N N 15 107.766 0.2 . 1 . . . . 62 GLY N . 26628 1 107 . 1 1 71 71 GLY H H 1 8.519 0.02 . 1 . . . . 64 GLY H . 26628 1 108 . 1 1 71 71 GLY N N 15 104.872 0.2 . 1 . . . . 64 GLY N . 26628 1 109 . 1 1 72 72 PHE H H 1 8.677 0.02 . 1 . . . . 65 PHE H . 26628 1 110 . 1 1 72 72 PHE N N 15 116.216 0.2 . 1 . . . . 65 PHE N . 26628 1 111 . 1 1 74 74 ASN H H 1 8.721 0.02 . 1 . . . . 67 ASN H . 26628 1 112 . 1 1 74 74 ASN N N 15 125.3 0.2 . 1 . . . . 67 ASN N . 26628 1 113 . 1 1 75 75 TYR H H 1 8.534 0.02 . 1 . . . . 68 TYR H . 26628 1 114 . 1 1 75 75 TYR N N 15 125.954 0.2 . 1 . . . . 68 TYR N . 26628 1 115 . 1 1 77 77 THR H H 1 8.928 0.02 . 1 . . . . 70 THR H . 26628 1 116 . 1 1 77 77 THR N N 15 109.744 0.2 . 1 . . . . 70 THR N . 26628 1 117 . 1 1 78 78 ALA H H 1 8.731 0.02 . 1 . . . . 71 ALA H . 26628 1 118 . 1 1 78 78 ALA N N 15 126.873 0.2 . 1 . . . . 71 ALA N . 26628 1 119 . 1 1 80 80 ASP H H 1 7.27 0.02 . 1 . . . . 73 ASP H . 26628 1 120 . 1 1 80 80 ASP N N 15 119.915 0.2 . 1 . . . . 73 ASP N . 26628 1 121 . 1 1 81 81 ALA H H 1 6.948 0.02 . 1 . . . . 74 ALA H . 26628 1 122 . 1 1 81 81 ALA N N 15 122.223 0.2 . 1 . . . . 74 ALA N . 26628 1 123 . 1 1 82 82 GLU H H 1 7.644 0.02 . 1 . . . . 75 GLU H . 26628 1 124 . 1 1 82 82 GLU N N 15 116.825 0.2 . 1 . . . . 75 GLU N . 26628 1 125 . 1 1 83 83 ARG H H 1 7.641 0.02 . 1 . . . . 76 ARG H . 26628 1 126 . 1 1 83 83 ARG N N 15 119.223 0.2 . 1 . . . . 76 ARG N . 26628 1 127 . 1 1 84 84 ALA H H 1 8.096 0.02 . 1 . . . . 77 ALA H . 26628 1 128 . 1 1 84 84 ALA N N 15 124.648 0.2 . 1 . . . . 77 ALA N . 26628 1 129 . 1 1 85 85 ILE H H 1 7.758 0.02 . 1 . . . . 78 ILE H . 26628 1 130 . 1 1 85 85 ILE N N 15 119.237 0.2 . 1 . . . . 78 ILE N . 26628 1 131 . 1 1 86 86 ASN H H 1 7.619 0.02 . 1 . . . . 79 ASN H . 26628 1 132 . 1 1 86 86 ASN N N 15 114.606 0.2 . 1 . . . . 79 ASN N . 26628 1 133 . 1 1 87 87 THR H H 1 8.062 0.02 . 1 . . . . 80 THR H . 26628 1 134 . 1 1 87 87 THR N N 15 112.159 0.2 . 1 . . . . 80 THR N . 26628 1 135 . 1 1 88 88 LEU H H 1 8.583 0.02 . 1 . . . . 81 LEU H . 26628 1 136 . 1 1 88 88 LEU N N 15 119.18 0.2 . 1 . . . . 81 LEU N . 26628 1 137 . 1 1 89 89 ASN H H 1 7.363 0.02 . 1 . . . . 82 ASN H . 26628 1 138 . 1 1 89 89 ASN N N 15 114.926 0.2 . 1 . . . . 82 ASN N . 26628 1 139 . 1 1 90 90 GLY H H 1 8.421 0.02 . 1 . . . . 83 GLY H . 26628 1 140 . 1 1 90 90 GLY N N 15 116.534 0.2 . 1 . . . . 83 GLY N . 26628 1 141 . 1 1 91 91 LEU H H 1 7.38 0.02 . 1 . . . . 84 LEU H . 26628 1 142 . 1 1 91 91 LEU N N 15 123.561 0.2 . 1 . . . . 84 LEU N . 26628 1 143 . 1 1 92 92 ARG H H 1 8.154 0.02 . 1 . . . . 85 ARG H . 26628 1 144 . 1 1 92 92 ARG N N 15 125.958 0.2 . 1 . . . . 85 ARG N . 26628 1 145 . 1 1 93 93 LEU H H 1 8.556 0.02 . 1 . . . . 86 LEU H . 26628 1 146 . 1 1 93 93 LEU N N 15 128.501 0.2 . 1 . . . . 86 LEU N . 26628 1 147 . 1 1 94 94 GLN H H 1 9.035 0.02 . 1 . . . . 87 GLN H . 26628 1 148 . 1 1 94 94 GLN N N 15 120.986 0.2 . 1 . . . . 87 GLN N . 26628 1 149 . 1 1 96 96 LYS H H 1 8.112 0.02 . 1 . . . . 89 LYS H . 26628 1 150 . 1 1 96 96 LYS N N 15 122.155 0.2 . 1 . . . . 89 LYS N . 26628 1 151 . 1 1 97 97 THR H H 1 8.042 0.02 . 1 . . . . 90 THR H . 26628 1 152 . 1 1 97 97 THR N N 15 117.601 0.2 . 1 . . . . 90 THR N . 26628 1 153 . 1 1 98 98 ILE H H 1 8.481 0.02 . 1 . . . . 91 ILE H . 26628 1 154 . 1 1 98 98 ILE N N 15 121.333 0.2 . 1 . . . . 91 ILE N . 26628 1 155 . 1 1 100 100 VAL H H 1 8.702 0.02 . 1 . . . . 93 VAL H . 26628 1 156 . 1 1 100 100 VAL N N 15 126.859 0.2 . 1 . . . . 93 VAL N . 26628 1 157 . 1 1 101 101 SER H H 1 8.502 0.02 . 1 . . . . 94 SER H . 26628 1 158 . 1 1 101 101 SER N N 15 119.033 0.2 . 1 . . . . 94 SER N . 26628 1 159 . 1 1 102 102 TYR H H 1 8.244 0.02 . 1 . . . . 95 TYR H . 26628 1 160 . 1 1 102 102 TYR N N 15 120.684 0.2 . 1 . . . . 95 TYR N . 26628 1 161 . 1 1 103 103 ALA H H 1 8.679 0.02 . 1 . . . . 96 ALA H . 26628 1 162 . 1 1 103 103 ALA N N 15 125.382 0.2 . 1 . . . . 96 ALA N . 26628 1 163 . 1 1 104 104 ARG H H 1 8.714 0.02 . 1 . . . . 97 ARG H . 26628 1 164 . 1 1 104 104 ARG N N 15 121.214 0.2 . 1 . . . . 97 ARG N . 26628 1 165 . 1 1 109 109 VAL H H 1 7.989 0.02 . 1 . . . . 102 VAL H . 26628 1 166 . 1 1 109 109 VAL N N 15 120.017 0.2 . 1 . . . . 102 VAL N . 26628 1 167 . 1 1 110 110 ILE H H 1 7.997 0.02 . 1 . . . . 103 ILE H . 26628 1 168 . 1 1 110 110 ILE N N 15 124.038 0.2 . 1 . . . . 103 ILE N . 26628 1 169 . 1 1 112 112 ASP H H 1 7.903 0.02 . 1 . . . . 105 ASP H . 26628 1 170 . 1 1 112 112 ASP N N 15 121.909 0.2 . 1 . . . . 105 ASP N . 26628 1 171 . 1 1 113 113 ALA H H 1 8.422 0.02 . 1 . . . . 106 ALA H . 26628 1 172 . 1 1 113 113 ALA N N 15 124.841 0.2 . 1 . . . . 106 ALA N . 26628 1 173 . 1 1 114 114 ASN H H 1 8.012 0.02 . 1 . . . . 107 ASN H . 26628 1 174 . 1 1 114 114 ASN N N 15 117.989 0.2 . 1 . . . . 107 ASN N . 26628 1 175 . 1 1 115 115 LEU H H 1 9.544 0.02 . 1 . . . . 108 LEU H . 26628 1 176 . 1 1 115 115 LEU N N 15 125.245 0.2 . 1 . . . . 108 LEU N . 26628 1 177 . 1 1 116 116 TYR H H 1 9.122 0.02 . 1 . . . . 109 TYR H . 26628 1 178 . 1 1 116 116 TYR N N 15 122.633 0.2 . 1 . . . . 109 TYR N . 26628 1 179 . 1 1 117 117 ILE H H 1 8.371 0.02 . 1 . . . . 110 ILE H . 26628 1 180 . 1 1 117 117 ILE N N 15 128.688 0.2 . 1 . . . . 110 ILE N . 26628 1 181 . 1 1 118 118 SER H H 1 8.669 0.02 . 1 . . . . 111 SER H . 26628 1 182 . 1 1 118 118 SER N N 15 117.711 0.2 . 1 . . . . 111 SER N . 26628 1 183 . 1 1 119 119 GLY H H 1 8.075 0.02 . 1 . . . . 112 GLY H . 26628 1 184 . 1 1 119 119 GLY N N 15 108.906 0.2 . 1 . . . . 112 GLY N . 26628 1 185 . 1 1 120 120 LEU H H 1 8.374 0.02 . 1 . . . . 113 LEU H . 26628 1 186 . 1 1 120 120 LEU N N 15 120.167 0.2 . 1 . . . . 113 LEU N . 26628 1 187 . 1 1 122 122 ARG H H 1 9.073 0.02 . 1 . . . . 115 ARG H . 26628 1 188 . 1 1 122 122 ARG N N 15 123.768 0.2 . 1 . . . . 115 ARG N . 26628 1 189 . 1 1 123 123 THR H H 1 7.101 0.02 . 1 . . . . 116 THR H . 26628 1 190 . 1 1 123 123 THR N N 15 103.882 0.2 . 1 . . . . 116 THR N . 26628 1 191 . 1 1 124 124 MET H H 1 7.072 0.02 . 1 . . . . 117 MET H . 26628 1 192 . 1 1 124 124 MET N N 15 119.85 0.2 . 1 . . . . 117 MET N . 26628 1 193 . 1 1 125 125 THR H H 1 9.23 0.02 . 1 . . . . 118 THR H . 26628 1 194 . 1 1 125 125 THR N N 15 116.675 0.2 . 1 . . . . 118 THR N . 26628 1 195 . 1 1 126 126 GLN H H 1 8.926 0.02 . 1 . . . . 119 GLN H . 26628 1 196 . 1 1 126 126 GLN N N 15 120.122 0.2 . 1 . . . . 119 GLN N . 26628 1 197 . 1 1 127 127 LYS H H 1 8.026 0.02 . 1 . . . . 120 LYS H . 26628 1 198 . 1 1 127 127 LYS N N 15 118.95 0.2 . 1 . . . . 120 LYS N . 26628 1 199 . 1 1 128 128 ASP H H 1 7.375 0.02 . 1 . . . . 121 ASP H . 26628 1 200 . 1 1 128 128 ASP N N 15 118.516 0.2 . 1 . . . . 121 ASP N . 26628 1 201 . 1 1 129 129 VAL H H 1 8.149 0.02 . 1 . . . . 122 VAL H . 26628 1 202 . 1 1 129 129 VAL N N 15 121.494 0.2 . 1 . . . . 122 VAL N . 26628 1 203 . 1 1 130 130 GLU H H 1 8.294 0.02 . 1 . . . . 123 GLU H . 26628 1 204 . 1 1 130 130 GLU N N 15 120.335 0.2 . 1 . . . . 123 GLU N . 26628 1 205 . 1 1 131 131 ASP H H 1 8.713 0.02 . 1 . . . . 124 ASP H . 26628 1 206 . 1 1 131 131 ASP N N 15 119.217 0.2 . 1 . . . . 124 ASP N . 26628 1 207 . 1 1 132 132 MET H H 1 7.741 0.02 . 1 . . . . 125 MET H . 26628 1 208 . 1 1 132 132 MET N N 15 119.744 0.2 . 1 . . . . 125 MET N . 26628 1 209 . 1 1 133 133 PHE H H 1 7.872 0.02 . 1 . . . . 126 PHE H . 26628 1 210 . 1 1 133 133 PHE N N 15 113.601 0.2 . 1 . . . . 126 PHE N . 26628 1 211 . 1 1 134 134 SER H H 1 8.426 0.02 . 1 . . . . 127 SER H . 26628 1 212 . 1 1 134 134 SER N N 15 117.74 0.2 . 1 . . . . 127 SER N . 26628 1 213 . 1 1 135 135 ARG H H 1 7.071 0.02 . 1 . . . . 128 ARG H . 26628 1 214 . 1 1 135 135 ARG N N 15 117.607 0.2 . 1 . . . . 128 ARG N . 26628 1 215 . 1 1 136 136 PHE H H 1 7.329 0.02 . 1 . . . . 129 PHE H . 26628 1 216 . 1 1 136 136 PHE N N 15 116.81 0.2 . 1 . . . . 129 PHE N . 26628 1 217 . 1 1 137 137 GLY H H 1 7.344 0.02 . 1 . . . . 130 GLY H . 26628 1 218 . 1 1 137 137 GLY N N 15 104.107 0.2 . 1 . . . . 130 GLY N . 26628 1 219 . 1 1 138 138 ARG H H 1 8.172 0.02 . 1 . . . . 131 ARG H . 26628 1 220 . 1 1 138 138 ARG N N 15 119.561 0.2 . 1 . . . . 131 ARG N . 26628 1 221 . 1 1 139 139 ILE H H 1 8.489 0.02 . 1 . . . . 132 ILE H . 26628 1 222 . 1 1 139 139 ILE N N 15 127.785 0.2 . 1 . . . . 132 ILE N . 26628 1 223 . 1 1 140 140 ILE H H 1 8.898 0.02 . 1 . . . . 133 ILE H . 26628 1 224 . 1 1 140 140 ILE N N 15 127.767 0.2 . 1 . . . . 133 ILE N . 26628 1 225 . 1 1 141 141 ASN H H 1 7.328 0.02 . 1 . . . . 134 ASN H . 26628 1 226 . 1 1 141 141 ASN N N 15 114.424 0.2 . 1 . . . . 134 ASN N . 26628 1 227 . 1 1 142 142 SER H H 1 8.151 0.02 . 1 . . . . 135 SER H . 26628 1 228 . 1 1 142 142 SER N N 15 115.199 0.2 . 1 . . . . 135 SER N . 26628 1 229 . 1 1 143 143 ARG H H 1 8.522 0.02 . 1 . . . . 136 ARG H . 26628 1 230 . 1 1 143 143 ARG N N 15 117.808 0.2 . 1 . . . . 136 ARG N . 26628 1 231 . 1 1 144 144 VAL H H 1 8.599 0.02 . 1 . . . . 137 VAL H . 26628 1 232 . 1 1 144 144 VAL N N 15 123.781 0.2 . 1 . . . . 137 VAL N . 26628 1 233 . 1 1 145 145 LEU H H 1 8.561 0.02 . 1 . . . . 138 LEU H . 26628 1 234 . 1 1 145 145 LEU N N 15 128.424 0.2 . 1 . . . . 138 LEU N . 26628 1 235 . 1 1 146 146 VAL H H 1 8.225 0.02 . 1 . . . . 139 VAL H . 26628 1 236 . 1 1 146 146 VAL N N 15 118.656 0.2 . 1 . . . . 139 VAL N . 26628 1 237 . 1 1 147 147 ASP H H 1 8.592 0.02 . 1 . . . . 140 ASP H . 26628 1 238 . 1 1 147 147 ASP N N 15 125.358 0.2 . 1 . . . . 140 ASP N . 26628 1 239 . 1 1 148 148 GLN H H 1 9.104 0.02 . 1 . . . . 141 GLN H . 26628 1 240 . 1 1 148 148 GLN N N 15 126.828 0.2 . 1 . . . . 141 GLN N . 26628 1 241 . 1 1 149 149 THR H H 1 7.776 0.02 . 1 . . . . 142 THR H . 26628 1 242 . 1 1 149 149 THR N N 15 109.629 0.2 . 1 . . . . 142 THR N . 26628 1 243 . 1 1 150 150 THR H H 1 8.598 0.02 . 1 . . . . 143 THR H . 26628 1 244 . 1 1 150 150 THR N N 15 113.576 0.2 . 1 . . . . 143 THR N . 26628 1 245 . 1 1 154 154 ARG H H 1 8.805 0.02 . 1 . . . . 147 ARG H . 26628 1 246 . 1 1 154 154 ARG N N 15 123.386 0.2 . 1 . . . . 147 ARG N . 26628 1 247 . 1 1 155 155 GLY H H 1 9.515 0.02 . 1 . . . . 148 GLY H . 26628 1 248 . 1 1 155 155 GLY N N 15 109.84 0.2 . 1 . . . . 148 GLY N . 26628 1 249 . 1 1 157 157 ALA H H 1 8.98 0.02 . 1 . . . . 150 ALA H . 26628 1 250 . 1 1 157 157 ALA N N 15 126.54 0.2 . 1 . . . . 150 ALA N . 26628 1 251 . 1 1 158 158 PHE H H 1 8.5 0.02 . 1 . . . . 151 PHE H . 26628 1 252 . 1 1 158 158 PHE N N 15 116.44 0.2 . 1 . . . . 151 PHE N . 26628 1 253 . 1 1 159 159 ILE H H 1 8.104 0.02 . 1 . . . . 152 ILE H . 26628 1 254 . 1 1 159 159 ILE N N 15 120.161 0.2 . 1 . . . . 152 ILE N . 26628 1 255 . 1 1 160 160 ARG H H 1 8.392 0.02 . 1 . . . . 153 ARG H . 26628 1 256 . 1 1 160 160 ARG N N 15 127.373 0.2 . 1 . . . . 153 ARG N . 26628 1 257 . 1 1 161 161 PHE H H 1 8.309 0.02 . 1 . . . . 154 PHE H . 26628 1 258 . 1 1 161 161 PHE N N 15 126.791 0.2 . 1 . . . . 154 PHE N . 26628 1 259 . 1 1 162 162 ASP H H 1 8.667 0.02 . 1 . . . . 155 ASP H . 26628 1 260 . 1 1 162 162 ASP N N 15 120.337 0.2 . 1 . . . . 155 ASP N . 26628 1 261 . 1 1 163 163 LYS H H 1 8.33 0.02 . 1 . . . . 156 LYS H . 26628 1 262 . 1 1 163 163 LYS N N 15 113.33 0.2 . 1 . . . . 156 LYS N . 26628 1 263 . 1 1 164 164 ARG H H 1 8.998 0.02 . 1 . . . . 157 ARG H . 26628 1 264 . 1 1 164 164 ARG N N 15 125.541 0.2 . 1 . . . . 157 ARG N . 26628 1 265 . 1 1 165 165 SER H H 1 8.74 0.02 . 1 . . . . 158 SER H . 26628 1 266 . 1 1 165 165 SER N N 15 121.24 0.2 . 1 . . . . 158 SER N . 26628 1 267 . 1 1 166 166 GLU H H 1 6.788 0.02 . 1 . . . . 159 GLU H . 26628 1 268 . 1 1 166 166 GLU N N 15 124.124 0.2 . 1 . . . . 159 GLU N . 26628 1 269 . 1 1 167 167 ALA H H 1 6.675 0.02 . 1 . . . . 160 ALA H . 26628 1 270 . 1 1 167 167 ALA N N 15 119.58 0.2 . 1 . . . . 160 ALA N . 26628 1 271 . 1 1 168 168 GLU H H 1 8.534 0.02 . 1 . . . . 161 GLU H . 26628 1 272 . 1 1 168 168 GLU N N 15 115.264 0.2 . 1 . . . . 161 GLU N . 26628 1 273 . 1 1 169 169 GLU H H 1 7.371 0.02 . 1 . . . . 162 GLU H . 26628 1 274 . 1 1 169 169 GLU N N 15 120.239 0.2 . 1 . . . . 162 GLU N . 26628 1 275 . 1 1 170 170 ALA H H 1 7.199 0.02 . 1 . . . . 163 ALA H . 26628 1 276 . 1 1 170 170 ALA N N 15 123.104 0.2 . 1 . . . . 163 ALA N . 26628 1 277 . 1 1 171 171 ILE H H 1 7.555 0.02 . 1 . . . . 164 ILE H . 26628 1 278 . 1 1 171 171 ILE N N 15 117.747 0.2 . 1 . . . . 164 ILE N . 26628 1 279 . 1 1 172 172 THR H H 1 8 0.02 . 1 . . . . 165 THR H . 26628 1 280 . 1 1 172 172 THR N N 15 114.816 0.2 . 1 . . . . 165 THR N . 26628 1 281 . 1 1 173 173 SER H H 1 7.91 0.02 . 1 . . . . 166 SER H . 26628 1 282 . 1 1 173 173 SER N N 15 115.162 0.2 . 1 . . . . 166 SER N . 26628 1 283 . 1 1 174 174 PHE H H 1 8.015 0.02 . 1 . . . . 167 PHE H . 26628 1 284 . 1 1 174 174 PHE N N 15 116.912 0.2 . 1 . . . . 167 PHE N . 26628 1 285 . 1 1 175 175 ASN H H 1 8.602 0.02 . 1 . . . . 168 ASN H . 26628 1 286 . 1 1 175 175 ASN N N 15 119.05 0.2 . 1 . . . . 168 ASN N . 26628 1 287 . 1 1 176 176 GLY H H 1 9.275 0.02 . 1 . . . . 169 GLY H . 26628 1 288 . 1 1 176 176 GLY N N 15 118.121 0.2 . 1 . . . . 169 GLY N . 26628 1 289 . 1 1 181 181 GLY H H 1 8.571 0.02 . 1 . . . . 174 GLY H . 26628 1 290 . 1 1 181 181 GLY N N 15 112.633 0.2 . 1 . . . . 174 GLY N . 26628 1 291 . 1 1 182 182 SER H H 1 7.726 0.02 . 1 . . . . 175 SER H . 26628 1 292 . 1 1 182 182 SER N N 15 114.788 0.2 . 1 . . . . 175 SER N . 26628 1 293 . 1 1 184 184 GLU H H 1 7.785 0.02 . 1 . . . . 177 GLU H . 26628 1 294 . 1 1 184 184 GLU N N 15 121.799 0.2 . 1 . . . . 177 GLU N . 26628 1 295 . 1 1 188 188 VAL H H 1 8.6 0.02 . 1 . . . . 181 VAL H . 26628 1 296 . 1 1 188 188 VAL N N 15 124.692 0.2 . 1 . . . . 181 VAL N . 26628 1 297 . 1 1 189 189 LYS H H 1 8.629 0.02 . 1 . . . . 182 LYS H . 26628 1 298 . 1 1 189 189 LYS N N 15 122.588 0.2 . 1 . . . . 182 LYS N . 26628 1 299 . 1 1 190 190 PHE H H 1 8.505 0.02 . 1 . . . . 183 PHE H . 26628 1 300 . 1 1 190 190 PHE N N 15 119.699 0.2 . 1 . . . . 183 PHE N . 26628 1 301 . 1 1 191 191 ALA H H 1 8.71 0.02 . 1 . . . . 184 ALA H . 26628 1 302 . 1 1 191 191 ALA N N 15 125.261 0.2 . 1 . . . . 184 ALA N . 26628 1 303 . 1 1 192 192 ALA H H 1 8.516 0.02 . 1 . . . . 185 ALA H . 26628 1 304 . 1 1 192 192 ALA N N 15 122.982 0.2 . 1 . . . . 185 ALA N . 26628 1 305 . 1 1 193 193 ASN H H 1 7.831 0.02 . 1 . . . . 186 ASN H . 26628 1 306 . 1 1 193 193 ASN N N 15 123.112 0.2 . 1 . . . . 186 ASN N . 26628 1 stop_ save_