################################### # 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 11461 _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 0.1 _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 1H-15N HSQC-NOESY-HSQC' . . . 11461 1 4 '2D 1H-15N HSQC' . . . 11461 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 LYS H H 1 8.63 0.02 . 1 . . . . 1 LYS H . 11461 1 2 . 1 1 2 2 LYS N N 15 122.19 0.1 . 1 . . . . 1 LYS N . 11461 1 3 . 1 1 3 3 VAL H H 1 7.95 0.02 . 1 . . . . 2 VAL H . 11461 1 4 . 1 1 3 3 VAL N N 15 116.39 0.1 . 1 . . . . 2 VAL N . 11461 1 5 . 1 1 4 4 PHE H H 1 8.17 0.02 . 1 . . . . 3 PHE H . 11461 1 6 . 1 1 4 4 PHE N N 15 119.95 0.1 . 1 . . . . 3 PHE N . 11461 1 7 . 1 1 5 5 GLY H H 1 8.29 0.02 . 1 . . . . 4 GLY H . 11461 1 8 . 1 1 5 5 GLY N N 15 106.24 0.1 . 1 . . . . 4 GLY N . 11461 1 9 . 1 1 6 6 ARG H H 1 8.19 0.02 . 1 . . . . 5 ARG H . 11461 1 10 . 1 1 6 6 ARG N N 15 118.08 0.1 . 1 . . . . 5 ARG N . 11461 1 11 . 1 1 7 7 SER H H 1 8.22 0.02 . 1 . . . . 6 SER H . 11461 1 12 . 1 1 7 7 SER N N 15 114.64 0.1 . 1 . . . . 6 SER N . 11461 1 13 . 1 1 8 8 GLU H H 1 8.23 0.02 . 1 . . . . 7 GLU H . 11461 1 14 . 1 1 8 8 GLU N N 15 120.20 0.1 . 1 . . . . 7 GLU N . 11461 1 15 . 1 1 9 9 LEU H H 1 7.99 0.02 . 1 . . . . 8 LEU H . 11461 1 16 . 1 1 9 9 LEU N N 15 118.79 0.1 . 1 . . . . 8 LEU N . 11461 1 17 . 1 1 10 10 ALA H H 1 8.07 0.02 . 1 . . . . 9 ALA H . 11461 1 18 . 1 1 10 10 ALA N N 15 120.87 0.1 . 1 . . . . 9 ALA N . 11461 1 19 . 1 1 11 11 ALA H H 1 7.94 0.02 . 1 . . . . 10 ALA H . 11461 1 20 . 1 1 11 11 ALA N N 15 118.84 0.1 . 1 . . . . 10 ALA N . 11461 1 21 . 1 1 12 12 ALA H H 1 7.98 0.02 . 1 . . . . 11 ALA H . 11461 1 22 . 1 1 12 12 ALA N N 15 118.92 0.1 . 1 . . . . 11 ALA N . 11461 1 23 . 1 1 13 13 MET H H 1 7.95 0.02 . 1 . . . . 12 MET H . 11461 1 24 . 1 1 13 13 MET N N 15 115.53 0.1 . 1 . . . . 12 MET N . 11461 1 25 . 1 1 14 14 LYS H H 1 7.89 0.02 . 1 . . . . 13 LYS H . 11461 1 26 . 1 1 14 14 LYS N N 15 117.71 0.1 . 1 . . . . 13 LYS N . 11461 1 27 . 1 1 15 15 ARG H H 1 8.02 0.02 . 1 . . . . 14 ARG H . 11461 1 28 . 1 1 15 15 ARG N N 15 117.99 0.1 . 1 . . . . 14 ARG N . 11461 1 29 . 1 1 16 16 HIS H H 1 8.16 0.02 . 1 . . . . 15 HIS H . 11461 1 30 . 1 1 16 16 HIS N N 15 115.74 0.1 . 1 . . . . 15 HIS N . 11461 1 31 . 1 1 17 17 GLY H H 1 8.31 0.02 . 1 . . . . 16 GLY H . 11461 1 32 . 1 1 17 17 GLY N N 15 106.73 0.1 . 1 . . . . 16 GLY N . 11461 1 33 . 1 1 18 18 LEU H H 1 8.18 0.02 . 1 . . . . 17 LEU H . 11461 1 34 . 1 1 18 18 LEU N N 15 118.89 0.1 . 1 . . . . 17 LEU N . 11461 1 35 . 1 1 19 19 ASP H H 1 8.35 0.02 . 1 . . . . 18 ASP H . 11461 1 36 . 1 1 19 19 ASP N N 15 117.43 0.1 . 1 . . . . 18 ASP N . 11461 1 37 . 1 1 20 20 ASN H H 1 8.05 0.02 . 1 . . . . 19 ASN H . 11461 1 38 . 1 1 20 20 ASN N N 15 116.50 0.1 . 1 . . . . 19 ASN N . 11461 1 39 . 1 1 22 22 ARG H H 1 8.12 0.02 . 1 . . . . 21 ARG H . 11461 1 40 . 1 1 22 22 ARG N N 15 118.09 0.1 . 1 . . . . 21 ARG N . 11461 1 41 . 1 1 23 23 GLY H H 1 7.99 0.02 . 1 . . . . 22 GLY H . 11461 1 42 . 1 1 23 23 GLY N N 15 106.03 0.1 . 1 . . . . 22 GLY N . 11461 1 43 . 1 1 24 24 TYR H H 1 8.03 0.02 . 1 . . . . 23 TYR H . 11461 1 44 . 1 1 24 24 TYR N N 15 116.56 0.1 . 1 . . . . 23 TYR N . 11461 1 45 . 1 1 25 25 SER H H 1 8.28 0.02 . 1 . . . . 24 SER H . 11461 1 46 . 1 1 25 25 SER N N 15 114.40 0.1 . 1 . . . . 24 SER N . 11461 1 47 . 1 1 26 26 LEU H H 1 8.14 0.02 . 1 . . . . 25 LEU H . 11461 1 48 . 1 1 26 26 LEU N N 15 120.82 0.1 . 1 . . . . 25 LEU N . 11461 1 49 . 1 1 27 27 GLY H H 1 8.19 0.02 . 1 . . . . 26 GLY H . 11461 1 50 . 1 1 27 27 GLY N N 15 105.42 0.1 . 1 . . . . 26 GLY N . 11461 1 51 . 1 1 28 28 ASN H H 1 8.12 0.02 . 1 . . . . 27 ASN H . 11461 1 52 . 1 1 28 28 ASN N N 15 117.05 0.1 . 1 . . . . 27 ASN N . 11461 1 53 . 1 1 29 29 TRP H H 1 8.16 0.02 . 1 . . . . 28 TRP H . 11461 1 54 . 1 1 29 29 TRP N N 15 119.53 0.1 . 1 . . . . 28 TRP N . 11461 1 55 . 1 1 30 30 VAL H H 1 7.85 0.02 . 1 . . . . 29 VAL H . 11461 1 56 . 1 1 30 30 VAL N N 15 115.86 0.1 . 1 . . . . 29 VAL N . 11461 1 57 . 1 1 31 31 ALA H H 1 7.97 0.02 . 1 . . . . 30 ALA H . 11461 1 58 . 1 1 31 31 ALA N N 15 122.68 0.1 . 1 . . . . 30 ALA N . 11461 1 59 . 1 1 32 32 ALA H H 1 7.90 0.02 . 1 . . . . 31 ALA H . 11461 1 60 . 1 1 32 32 ALA N N 15 118.99 0.1 . 1 . . . . 31 ALA N . 11461 1 61 . 1 1 33 33 ALA H H 1 7.95 0.02 . 1 . . . . 32 ALA H . 11461 1 62 . 1 1 33 33 ALA N N 15 119.21 0.1 . 1 . . . . 32 ALA N . 11461 1 63 . 1 1 34 34 LYS H H 1 7.86 0.02 . 1 . . . . 33 LYS H . 11461 1 64 . 1 1 34 34 LYS N N 15 115.96 0.1 . 1 . . . . 33 LYS N . 11461 1 65 . 1 1 35 35 PHE H H 1 7.93 0.02 . 1 . . . . 34 PHE H . 11461 1 66 . 1 1 35 35 PHE N N 15 116.20 0.1 . 1 . . . . 34 PHE N . 11461 1 67 . 1 1 36 36 GLU H H 1 8.08 0.02 . 1 . . . . 35 GLU H . 11461 1 68 . 1 1 36 36 GLU N N 15 117.33 0.1 . 1 . . . . 35 GLU N . 11461 1 69 . 1 1 37 37 SER H H 1 7.94 0.02 . 1 . . . . 36 SER H . 11461 1 70 . 1 1 37 37 SER N N 15 113.45 0.1 . 1 . . . . 36 SER N . 11461 1 71 . 1 1 38 38 ASN H H 1 8.20 0.02 . 1 . . . . 37 ASN H . 11461 1 72 . 1 1 38 38 ASN N N 15 118.75 0.1 . 1 . . . . 37 ASN N . 11461 1 73 . 1 1 39 39 PHE H H 1 8.06 0.02 . 1 . . . . 38 PHE H . 11461 1 74 . 1 1 39 39 PHE N N 15 116.38 0.1 . 1 . . . . 38 PHE N . 11461 1 75 . 1 1 40 40 ASN H H 1 8.34 0.02 . 1 . . . . 39 ASN H . 11461 1 76 . 1 1 40 40 ASN N N 15 117.88 0.1 . 1 . . . . 39 ASN N . 11461 1 77 . 1 1 41 41 THR H H 1 7.76 0.02 . 1 . . . . 40 THR H . 11461 1 78 . 1 1 41 41 THR N N 15 111.24 0.1 . 1 . . . . 40 THR N . 11461 1 79 . 1 1 42 42 GLN H H 1 8.03 0.02 . 1 . . . . 41 GLN H . 11461 1 80 . 1 1 42 42 GLN N N 15 118.43 0.1 . 1 . . . . 41 GLN N . 11461 1 81 . 1 1 43 43 ALA H H 1 8.00 0.02 . 1 . . . . 42 ALA H . 11461 1 82 . 1 1 43 43 ALA N N 15 121.35 0.1 . 1 . . . . 42 ALA N . 11461 1 83 . 1 1 44 44 THR H H 1 7.76 0.02 . 1 . . . . 43 THR H . 11461 1 84 . 1 1 44 44 THR N N 15 109.67 0.1 . 1 . . . . 43 THR N . 11461 1 85 . 1 1 45 45 ASN H H 1 8.10 0.02 . 1 . . . . 44 ASN H . 11461 1 86 . 1 1 45 45 ASN N N 15 118.62 0.1 . 1 . . . . 44 ASN N . 11461 1 87 . 1 1 46 46 ARG H H 1 8.04 0.02 . 1 . . . . 45 ARG H . 11461 1 88 . 1 1 46 46 ARG N N 15 117.60 0.1 . 1 . . . . 45 ARG N . 11461 1 89 . 1 1 47 47 ASN H H 1 8.27 0.02 . 1 . . . . 46 ASN H . 11461 1 90 . 1 1 47 47 ASN N N 15 117.79 0.1 . 1 . . . . 46 ASN N . 11461 1 91 . 1 1 48 48 THR H H 1 7.74 0.02 . 1 . . . . 47 THR H . 11461 1 92 . 1 1 48 48 THR N N 15 110.76 0.1 . 1 . . . . 47 THR N . 11461 1 93 . 1 1 49 49 ASP H H 1 8.28 0.02 . 1 . . . . 48 ASP H . 11461 1 94 . 1 1 49 49 ASP N N 15 118.25 0.1 . 1 . . . . 48 ASP N . 11461 1 95 . 1 1 50 50 GLY H H 1 8.00 0.02 . 1 . . . . 49 GLY H . 11461 1 96 . 1 1 50 50 GLY N N 15 105.13 0.1 . 1 . . . . 49 GLY N . 11461 1 97 . 1 1 51 51 SER H H 1 7.96 0.02 . 1 . . . . 50 SER H . 11461 1 98 . 1 1 51 51 SER N N 15 112.83 0.1 . 1 . . . . 50 SER N . 11461 1 99 . 1 1 52 52 THR H H 1 7.87 0.02 . 1 . . . . 51 THR H . 11461 1 100 . 1 1 52 52 THR N N 15 112.17 0.1 . 1 . . . . 51 THR N . 11461 1 101 . 1 1 53 53 ASP H H 1 8.21 0.02 . 1 . . . . 52 ASP H . 11461 1 102 . 1 1 53 53 ASP N N 15 118.48 0.1 . 1 . . . . 52 ASP N . 11461 1 103 . 1 1 54 54 TYR H H 1 7.89 0.02 . 1 . . . . 53 TYR H . 11461 1 104 . 1 1 54 54 TYR N N 15 116.86 0.1 . 1 . . . . 53 TYR N . 11461 1 105 . 1 1 55 55 GLY H H 1 8.19 0.02 . 1 . . . . 54 GLY H . 11461 1 106 . 1 1 55 55 GLY N N 15 106.31 0.1 . 1 . . . . 54 GLY N . 11461 1 107 . 1 1 56 56 ILE H H 1 7.81 0.02 . 1 . . . . 55 ILE H . 11461 1 108 . 1 1 56 56 ILE N N 15 115.95 0.1 . 1 . . . . 55 ILE N . 11461 1 109 . 1 1 57 57 LEU H H 1 8.09 0.02 . 1 . . . . 56 LEU H . 11461 1 110 . 1 1 57 57 LEU N N 15 121.92 0.1 . 1 . . . . 56 LEU N . 11461 1 111 . 1 1 58 58 GLN H H 1 8.02 0.02 . 1 . . . . 57 GLN H . 11461 1 112 . 1 1 58 58 GLN N N 15 118.76 0.1 . 1 . . . . 57 GLN N . 11461 1 113 . 1 1 59 59 ILE H H 1 7.81 0.02 . 1 . . . . 58 ILE H . 11461 1 114 . 1 1 59 59 ILE N N 15 116.95 0.1 . 1 . . . . 58 ILE N . 11461 1 115 . 1 1 60 60 ASN H H 1 8.27 0.02 . 1 . . . . 59 ASN H . 11461 1 116 . 1 1 60 60 ASN N N 15 120.63 0.1 . 1 . . . . 59 ASN N . 11461 1 117 . 1 1 61 61 SER H H 1 7.96 0.02 . 1 . . . . 60 SER H . 11461 1 118 . 1 1 61 61 SER N N 15 114.26 0.1 . 1 . . . . 60 SER N . 11461 1 119 . 1 1 62 62 ARG H H 1 8.12 0.02 . 1 . . . . 61 ARG H . 11461 1 120 . 1 1 62 62 ARG N N 15 119.27 0.1 . 1 . . . . 61 ARG N . 11461 1 121 . 1 1 63 63 TRP H H 1 7.94 0.02 . 1 . . . . 62 TRP H . 11461 1 122 . 1 1 63 63 TRP N N 15 118.09 0.1 . 1 . . . . 62 TRP N . 11461 1 123 . 1 1 66 66 ASN H H 1 8.44 0.02 . 1 . . . . 65 ASN H . 11461 1 124 . 1 1 66 66 ASN N N 15 117.79 0.1 . 1 . . . . 65 ASN N . 11461 1 125 . 1 1 67 67 ASP H H 1 8.45 0.02 . 1 . . . . 66 ASP H . 11461 1 126 . 1 1 67 67 ASP N N 15 119.15 0.1 . 1 . . . . 66 ASP N . 11461 1 127 . 1 1 68 68 GLY H H 1 8.24 0.02 . 1 . . . . 67 GLY H . 11461 1 128 . 1 1 68 68 GLY N N 15 104.99 0.1 . 1 . . . . 67 GLY N . 11461 1 129 . 1 1 69 69 ARG H H 1 7.94 0.02 . 1 . . . . 68 ARG H . 11461 1 130 . 1 1 69 69 ARG N N 15 116.99 0.1 . 1 . . . . 68 ARG N . 11461 1 131 . 1 1 70 70 THR H H 1 7.98 0.02 . 1 . . . . 69 THR H . 11461 1 132 . 1 1 70 70 THR N N 15 115.13 0.1 . 1 . . . . 69 THR N . 11461 1 133 . 1 1 72 72 GLY H H 1 8.37 0.02 . 1 . . . . 71 GLY H . 11461 1 134 . 1 1 72 72 GLY N N 15 105.98 0.1 . 1 . . . . 71 GLY N . 11461 1 135 . 1 1 73 73 SER H H 1 7.78 0.02 . 1 . . . . 72 SER H . 11461 1 136 . 1 1 73 73 SER N N 15 112.43 0.1 . 1 . . . . 72 SER N . 11461 1 137 . 1 1 74 74 ARG H H 1 8.29 0.02 . 1 . . . . 73 ARG H . 11461 1 138 . 1 1 74 74 ARG N N 15 120.03 0.1 . 1 . . . . 73 ARG N . 11461 1 139 . 1 1 75 75 ASN H H 1 8.06 0.02 . 1 . . . . 74 ASN H . 11461 1 140 . 1 1 75 75 ASN N N 15 116.38 0.1 . 1 . . . . 74 ASN N . 11461 1 141 . 1 1 76 76 LEU H H 1 7.90 0.02 . 1 . . . . 75 LEU H . 11461 1 142 . 1 1 76 76 LEU N N 15 118.67 0.1 . 1 . . . . 75 LEU N . 11461 1 143 . 1 1 77 77 ALA H H 1 8.03 0.02 . 1 . . . . 76 ALA H . 11461 1 144 . 1 1 77 77 ALA N N 15 119.11 0.1 . 1 . . . . 76 ALA N . 11461 1 145 . 1 1 78 78 ASN H H 1 8.09 0.02 . 1 . . . . 77 ASN H . 11461 1 146 . 1 1 78 78 ASN N N 15 116.11 0.1 . 1 . . . . 77 ASN N . 11461 1 147 . 1 1 79 79 ILE H H 1 7.75 0.02 . 1 . . . . 78 ILE H . 11461 1 148 . 1 1 79 79 ILE N N 15 117.30 0.1 . 1 . . . . 78 ILE N . 11461 1 149 . 1 1 81 81 CYS H H 1 8.30 0.02 . 1 . . . . 80 CYS H . 11461 1 150 . 1 1 81 81 CYS N N 15 116.50 0.1 . 1 . . . . 80 CYS N . 11461 1 151 . 1 1 82 82 SER H H 1 8.00 0.02 . 1 . . . . 81 SER H . 11461 1 152 . 1 1 82 82 SER N N 15 113.21 0.1 . 1 . . . . 81 SER N . 11461 1 153 . 1 1 83 83 ALA H H 1 8.17 0.02 . 1 . . . . 82 ALA H . 11461 1 154 . 1 1 83 83 ALA N N 15 122.90 0.1 . 1 . . . . 82 ALA N . 11461 1 155 . 1 1 84 84 LEU H H 1 7.87 0.02 . 1 . . . . 83 LEU H . 11461 1 156 . 1 1 84 84 LEU N N 15 117.08 0.1 . 1 . . . . 83 LEU N . 11461 1 157 . 1 1 85 85 LEU H H 1 7.85 0.02 . 1 . . . . 84 LEU H . 11461 1 158 . 1 1 85 85 LEU N N 15 118.41 0.1 . 1 . . . . 84 LEU N . 11461 1 159 . 1 1 86 86 SER H H 1 7.91 0.02 . 1 . . . . 85 SER H . 11461 1 160 . 1 1 86 86 SER N N 15 113.11 0.1 . 1 . . . . 85 SER N . 11461 1 161 . 1 1 87 87 SER H H 1 7.95 0.02 . 1 . . . . 86 SER H . 11461 1 162 . 1 1 87 87 SER N N 15 114.32 0.1 . 1 . . . . 86 SER N . 11461 1 163 . 1 1 88 88 ASP H H 1 8.31 0.02 . 1 . . . . 87 ASP H . 11461 1 164 . 1 1 88 88 ASP N N 15 119.13 0.1 . 1 . . . . 87 ASP N . 11461 1 165 . 1 1 89 89 ILE H H 1 7.74 0.02 . 1 . . . . 88 ILE H . 11461 1 166 . 1 1 89 89 ILE N N 15 116.07 0.1 . 1 . . . . 88 ILE N . 11461 1 167 . 1 1 90 90 THR H H 1 7.85 0.02 . 1 . . . . 89 THR H . 11461 1 168 . 1 1 90 90 THR N N 15 114.63 0.1 . 1 . . . . 89 THR N . 11461 1 169 . 1 1 91 91 ALA H H 1 7.94 0.02 . 1 . . . . 90 ALA H . 11461 1 170 . 1 1 91 91 ALA N N 15 122.11 0.1 . 1 . . . . 90 ALA N . 11461 1 171 . 1 1 92 92 SER H H 1 8.04 0.02 . 1 . . . . 91 SER H . 11461 1 172 . 1 1 92 92 SER N N 15 112.83 0.1 . 1 . . . . 91 SER N . 11461 1 173 . 1 1 93 93 VAL H H 1 7.80 0.02 . 1 . . . . 92 VAL H . 11461 1 174 . 1 1 93 93 VAL N N 15 116.29 0.1 . 1 . . . . 92 VAL N . 11461 1 175 . 1 1 94 94 ASN H H 1 8.16 0.02 . 1 . . . . 93 ASN H . 11461 1 176 . 1 1 94 94 ASN N N 15 119.10 0.1 . 1 . . . . 93 ASN N . 11461 1 177 . 1 1 95 95 ALA H H 1 8.03 0.02 . 1 . . . . 94 ALA H . 11461 1 178 . 1 1 95 95 ALA N N 15 121.17 0.1 . 1 . . . . 94 ALA N . 11461 1 179 . 1 1 96 96 ALA H H 1 8.00 0.02 . 1 . . . . 95 ALA H . 11461 1 180 . 1 1 96 96 ALA N N 15 118.79 0.1 . 1 . . . . 95 ALA N . 11461 1 181 . 1 1 97 97 LYS H H 1 7.81 0.02 . 1 . . . . 96 LYS H . 11461 1 182 . 1 1 97 97 LYS N N 15 115.95 0.1 . 1 . . . . 96 LYS N . 11461 1 183 . 1 1 98 98 LYS H H 1 7.89 0.02 . 1 . . . . 97 LYS H . 11461 1 184 . 1 1 98 98 LYS N N 15 117.90 0.1 . 1 . . . . 97 LYS N . 11461 1 185 . 1 1 99 99 ILE H H 1 7.87 0.02 . 1 . . . . 98 ILE H . 11461 1 186 . 1 1 99 99 ILE N N 15 117.32 0.1 . 1 . . . . 98 ILE N . 11461 1 187 . 1 1 100 100 VAL H H 1 7.89 0.02 . 1 . . . . 99 VAL H . 11461 1 188 . 1 1 100 100 VAL N N 15 118.01 0.1 . 1 . . . . 99 VAL N . 11461 1 189 . 1 1 101 101 SER H H 1 7.94 0.02 . 1 . . . . 100 SER H . 11461 1 190 . 1 1 101 101 SER N N 15 115.47 0.1 . 1 . . . . 100 SER N . 11461 1 191 . 1 1 102 102 ASP H H 1 8.36 0.02 . 1 . . . . 101 ASP H . 11461 1 192 . 1 1 102 102 ASP N N 15 119.38 0.1 . 1 . . . . 101 ASP N . 11461 1 193 . 1 1 103 103 GLY H H 1 8.10 0.02 . 1 . . . . 102 GLY H . 11461 1 194 . 1 1 103 103 GLY N N 15 105.33 0.1 . 1 . . . . 102 GLY N . 11461 1 195 . 1 1 104 104 ASN H H 1 8.14 0.02 . 1 . . . . 103 ASN H . 11461 1 196 . 1 1 104 104 ASN N N 15 116.74 0.1 . 1 . . . . 103 ASN N . 11461 1 197 . 1 1 105 105 GLY H H 1 8.24 0.02 . 1 . . . . 104 GLY H . 11461 1 198 . 1 1 105 105 GLY N N 15 106.26 0.1 . 1 . . . . 104 GLY N . 11461 1 199 . 1 1 106 106 MET H H 1 8.07 0.02 . 1 . . . . 105 MET H . 11461 1 200 . 1 1 106 106 MET N N 15 116.37 0.1 . 1 . . . . 105 MET N . 11461 1 201 . 1 1 107 107 ASN H H 1 8.21 0.02 . 1 . . . . 106 ASN H . 11461 1 202 . 1 1 107 107 ASN N N 15 117.62 0.1 . 1 . . . . 106 ASN N . 11461 1 203 . 1 1 108 108 ALA H H 1 8.21 0.02 . 1 . . . . 107 ALA H . 11461 1 204 . 1 1 108 108 ALA N N 15 121.73 0.1 . 1 . . . . 107 ALA N . 11461 1 205 . 1 1 109 109 TRP H H 1 8.15 0.02 . 1 . . . . 108 TRP H . 11461 1 206 . 1 1 109 109 TRP N N 15 117.03 0.1 . 1 . . . . 108 TRP N . 11461 1 207 . 1 1 110 110 VAL H H 1 7.68 0.02 . 1 . . . . 109 VAL H . 11461 1 208 . 1 1 110 110 VAL N N 15 115.36 0.1 . 1 . . . . 109 VAL N . 11461 1 209 . 1 1 111 111 ALA H H 1 7.99 0.02 . 1 . . . . 110 ALA H . 11461 1 210 . 1 1 111 111 ALA N N 15 122.75 0.1 . 1 . . . . 110 ALA N . 11461 1 211 . 1 1 112 112 TRP H H 1 7.97 0.02 . 1 . . . . 111 TRP H . 11461 1 212 . 1 1 112 112 TRP N N 15 117.42 0.1 . 1 . . . . 111 TRP N . 11461 1 213 . 1 1 113 113 ARG H H 1 8.06 0.02 . 1 . . . . 112 ARG H . 11461 1 214 . 1 1 113 113 ARG N N 15 117.89 0.1 . 1 . . . . 112 ARG N . 11461 1 215 . 1 1 114 114 ASN H H 1 8.14 0.02 . 1 . . . . 113 ASN H . 11461 1 216 . 1 1 114 114 ASN N N 15 117.33 0.1 . 1 . . . . 113 ASN N . 11461 1 217 . 1 1 115 115 ARG H H 1 8.02 0.02 . 1 . . . . 114 ARG H . 11461 1 218 . 1 1 115 115 ARG N N 15 118.00 0.1 . 1 . . . . 114 ARG N . 11461 1 219 . 1 1 116 116 ALA H H 1 8.05 0.02 . 1 . . . . 115 ALA H . 11461 1 220 . 1 1 116 116 ALA N N 15 120.65 0.1 . 1 . . . . 115 ALA N . 11461 1 221 . 1 1 117 117 LYS H H 1 7.92 0.02 . 1 . . . . 116 LYS H . 11461 1 222 . 1 1 117 117 LYS N N 15 116.49 0.1 . 1 . . . . 116 LYS N . 11461 1 223 . 1 1 118 118 GLY H H 1 8.11 0.02 . 1 . . . . 117 GLY H . 11461 1 224 . 1 1 118 118 GLY N N 15 105.98 0.1 . 1 . . . . 117 GLY N . 11461 1 225 . 1 1 119 119 THR H H 1 7.86 0.02 . 1 . . . . 118 THR H . 11461 1 226 . 1 1 119 119 THR N N 15 110.67 0.1 . 1 . . . . 118 THR N . 11461 1 227 . 1 1 120 120 ASP H H 1 8.33 0.02 . 1 . . . . 119 ASP H . 11461 1 228 . 1 1 120 120 ASP N N 15 119.56 0.1 . 1 . . . . 119 ASP N . 11461 1 229 . 1 1 121 121 VAL H H 1 7.74 0.02 . 1 . . . . 120 VAL H . 11461 1 230 . 1 1 121 121 VAL N N 15 115.35 0.1 . 1 . . . . 120 VAL N . 11461 1 231 . 1 1 122 122 GLN H H 1 8.13 0.02 . 1 . . . . 121 GLN H . 11461 1 232 . 1 1 122 122 GLN N N 15 120.41 0.1 . 1 . . . . 121 GLN N . 11461 1 233 . 1 1 123 123 ALA H H 1 7.93 0.02 . 1 . . . . 122 ALA H . 11461 1 234 . 1 1 123 123 ALA N N 15 120.58 0.1 . 1 . . . . 122 ALA N . 11461 1 235 . 1 1 124 124 TRP H H 1 8.09 0.02 . 1 . . . . 123 TRP H . 11461 1 236 . 1 1 124 124 TRP N N 15 118.06 0.1 . 1 . . . . 123 TRP N . 11461 1 237 . 1 1 125 125 ILE H H 1 7.86 0.02 . 1 . . . . 124 ILE H . 11461 1 238 . 1 1 125 125 ILE N N 15 116.83 0.1 . 1 . . . . 124 ILE N . 11461 1 239 . 1 1 126 126 ARG H H 1 8.09 0.02 . 1 . . . . 125 ARG H . 11461 1 240 . 1 1 126 126 ARG N N 15 121.17 0.1 . 1 . . . . 125 ARG N . 11461 1 241 . 1 1 127 127 GLY H H 1 8.20 0.02 . 1 . . . . 126 GLY H . 11461 1 242 . 1 1 127 127 GLY N N 15 106.73 0.1 . 1 . . . . 126 GLY N . 11461 1 243 . 1 1 128 128 ALA H H 1 8.01 0.02 . 1 . . . . 127 ALA H . 11461 1 244 . 1 1 128 128 ALA N N 15 120.30 0.1 . 1 . . . . 127 ALA N . 11461 1 245 . 1 1 129 129 ARG H H 1 8.10 0.02 . 1 . . . . 128 ARG H . 11461 1 246 . 1 1 129 129 ARG N N 15 116.96 0.1 . 1 . . . . 128 ARG N . 11461 1 247 . 1 1 130 130 LEU H H 1 8.12 0.02 . 1 . . . . 129 LEU H . 11461 1 248 . 1 1 130 130 LEU N N 15 119.13 0.1 . 1 . . . . 129 LEU N . 11461 1 stop_ save_