################################### # 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_assignment _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment _Assigned_chem_shift_list.Entry_ID 4075 _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 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_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 $sample_one . 4075 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 3 3 ASN H H 1 8.41 0.01 . 1 . . . . . . . . 4075 1 2 . 1 1 3 3 ASN HA H 1 4.68 0.01 . 1 . . . . . . . . 4075 1 3 . 1 1 3 3 ASN C C 13 174.9 0.1 . 1 . . . . . . . . 4075 1 4 . 1 1 3 3 ASN CA C 13 53.1 0.1 . 1 . . . . . . . . 4075 1 5 . 1 1 3 3 ASN N N 15 118.5 0.1 . 1 . . . . . . . . 4075 1 6 . 1 1 4 4 LYS H H 1 8.23 0.01 . 1 . . . . . . . . 4075 1 7 . 1 1 4 4 LYS HA H 1 4.57 0.01 . 1 . . . . . . . . 4075 1 8 . 1 1 4 4 LYS CA C 13 54.2 0.1 . 1 . . . . . . . . 4075 1 9 . 1 1 4 4 LYS N N 15 122.4 0.1 . 1 . . . . . . . . 4075 1 10 . 1 1 5 5 PRO HA H 1 4.35 0.01 . 1 . . . . . . . . 4075 1 11 . 1 1 5 5 PRO C C 13 176.7 0.1 . 1 . . . . . . . . 4075 1 12 . 1 1 5 5 PRO CA C 13 63.2 0.1 . 1 . . . . . . . . 4075 1 13 . 1 1 6 6 PHE H H 1 8.2 0.01 . 1 . . . . . . . . 4075 1 14 . 1 1 6 6 PHE HA H 1 4.54 0.01 . 1 . . . . . . . . 4075 1 15 . 1 1 6 6 PHE CA C 13 57.7 0.1 . 1 . . . . . . . . 4075 1 16 . 1 1 6 6 PHE N N 15 120.1 0.1 . 1 . . . . . . . . 4075 1 17 . 1 1 7 7 ASN H H 1 8.19 0.01 . 1 . . . . . . . . 4075 1 18 . 1 1 7 7 ASN HA H 1 4.6 0.01 . 1 . . . . . . . . 4075 1 19 . 1 1 7 7 ASN C C 13 174.7 0.1 . 1 . . . . . . . . 4075 1 20 . 1 1 7 7 ASN CA C 13 52.9 0.1 . 1 . . . . . . . . 4075 1 21 . 1 1 7 7 ASN N N 15 120.9 0.1 . 1 . . . . . . . . 4075 1 22 . 1 1 8 8 LYS H H 1 8.14 0.01 . 1 . . . . . . . . 4075 1 23 . 1 1 8 8 LYS HA H 1 4.19 0.01 . 1 . . . . . . . . 4075 1 24 . 1 1 8 8 LYS CA C 13 56.7 0.1 . 1 . . . . . . . . 4075 1 25 . 1 1 8 8 LYS N N 15 121.9 0.1 . 1 . . . . . . . . 4075 1 26 . 1 1 9 9 GLN H H 1 8.29 0.01 . 1 . . . . . . . . 4075 1 27 . 1 1 9 9 GLN HA H 1 4.26 0.01 . 1 . . . . . . . . 4075 1 28 . 1 1 9 9 GLN CA C 13 56.1 0.1 . 1 . . . . . . . . 4075 1 29 . 1 1 9 9 GLN N N 15 120.9 0.1 . 1 . . . . . . . . 4075 1 30 . 1 1 10 10 GLN H H 1 8.21 0.01 . 1 . . . . . . . . 4075 1 31 . 1 1 10 10 GLN HA H 1 4.27 0.01 . 1 . . . . . . . . 4075 1 32 . 1 1 10 10 GLN C C 13 175.4 0.1 . 1 . . . . . . . . 4075 1 33 . 1 1 10 10 GLN CA C 13 55.7 0.1 . 1 . . . . . . . . 4075 1 34 . 1 1 10 10 GLN N N 15 121.1 0.1 . 1 . . . . . . . . 4075 1 35 . 1 1 11 11 ALA H H 1 8.22 0.01 . 1 . . . . . . . . 4075 1 36 . 1 1 11 11 ALA HA H 1 4.3 0.01 . 1 . . . . . . . . 4075 1 37 . 1 1 11 11 ALA C C 13 177.3 0.1 . 1 . . . . . . . . 4075 1 38 . 1 1 11 11 ALA CA C 13 52.3 0.1 . 1 . . . . . . . . 4075 1 39 . 1 1 11 11 ALA N N 15 125.1 0.1 . 1 . . . . . . . . 4075 1 40 . 1 1 12 12 GLU H H 1 8.28 0.01 . 1 . . . . . . . . 4075 1 41 . 1 1 12 12 GLU HA H 1 4.54 0.01 . 1 . . . . . . . . 4075 1 42 . 1 1 12 12 GLU CA C 13 54.4 0.1 . 1 . . . . . . . . 4075 1 43 . 1 1 12 12 GLU N N 15 121.5 0.1 . 1 . . . . . . . . 4075 1 44 . 1 1 13 13 PRO HA H 1 4.38 0.01 . 1 . . . . . . . . 4075 1 45 . 1 1 13 13 PRO C C 13 177.00 0.1 . 1 . . . . . . . . 4075 1 46 . 1 1 13 13 PRO CA C 13 63.3 0.1 . 1 . . . . . . . . 4075 1 47 . 1 1 14 14 ARG H H 1 8.35 0.01 . 1 . . . . . . . . 4075 1 48 . 1 1 14 14 ARG HA H 1 4.3 0.01 . 1 . . . . . . . . 4075 1 49 . 1 1 14 14 ARG C C 13 176.4 0.1 . 1 . . . . . . . . 4075 1 50 . 1 1 14 14 ARG CA C 13 56.2 0.1 . 1 . . . . . . . . 4075 1 51 . 1 1 14 14 ARG N N 15 120.9 0.1 . 1 . . . . . . . . 4075 1 52 . 1 1 15 15 GLU H H 1 8.36 0.01 . 1 . . . . . . . . 4075 1 53 . 1 1 15 15 GLU HA H 1 4.24 0.01 . 1 . . . . . . . . 4075 1 54 . 1 1 15 15 GLU C C 13 176.2 0.1 . 1 . . . . . . . . 4075 1 55 . 1 1 15 15 GLU CA C 13 56.6 0.1 . 1 . . . . . . . . 4075 1 56 . 1 1 15 15 GLU N N 15 121.3 0.1 . 1 . . . . . . . . 4075 1 57 . 1 1 16 16 ARG H H 1 8.23 0.01 . 1 . . . . . . . . 4075 1 58 . 1 1 16 16 ARG HA H 1 4.26 0.01 . 1 . . . . . . . . 4075 1 59 . 1 1 16 16 ARG C C 13 175.7 0.1 . 1 . . . . . . . . 4075 1 60 . 1 1 16 16 ARG CA C 13 55.9 0.1 . 1 . . . . . . . . 4075 1 61 . 1 1 16 16 ARG N N 15 121.3 0.1 . 1 . . . . . . . . 4075 1 62 . 1 1 17 17 ASP H H 1 8.28 0.01 . 1 . . . . . . . . 4075 1 63 . 1 1 17 17 ASP HA H 1 4.82 0.01 . 1 . . . . . . . . 4075 1 64 . 1 1 17 17 ASP CA C 13 52.4 0.1 . 1 . . . . . . . . 4075 1 65 . 1 1 17 17 ASP N N 15 122.8 0.1 . 1 . . . . . . . . 4075 1 66 . 1 1 18 18 PRO HA H 1 4.36 0.01 . 1 . . . . . . . . 4075 1 67 . 1 1 18 18 PRO C C 13 177.4 0.1 . 1 . . . . . . . . 4075 1 68 . 1 1 18 18 PRO CA C 13 63.7 0.1 . 1 . . . . . . . . 4075 1 69 . 1 1 19 19 GLN H H 1 8.47 0.01 . 1 . . . . . . . . 4075 1 70 . 1 1 19 19 GLN HA H 1 4.25 0.01 . 1 . . . . . . . . 4075 1 71 . 1 1 19 19 GLN C C 13 176.5 0.1 . 1 . . . . . . . . 4075 1 72 . 1 1 19 19 GLN CA C 13 56.4 0.1 . 1 . . . . . . . . 4075 1 73 . 1 1 19 19 GLN N N 15 119.00 0.1 . 1 . . . . . . . . 4075 1 74 . 1 1 20 20 VAL H H 1 7.86 0.01 . 1 . . . . . . . . 4075 1 75 . 1 1 20 20 VAL HA H 1 4.06 0.01 . 1 . . . . . . . . 4075 1 76 . 1 1 20 20 VAL C C 13 176.1 0.1 . 1 . . . . . . . . 4075 1 77 . 1 1 20 20 VAL CA C 13 62.5 0.1 . 1 . . . . . . . . 4075 1 78 . 1 1 20 20 VAL N N 15 119.7 0.1 . 1 . . . . . . . . 4075 1 79 . 1 1 21 21 ALA H H 1 8.2 0.01 . 1 . . . . . . . . 4075 1 80 . 1 1 21 21 ALA HA H 1 4.27 0.01 . 1 . . . . . . . . 4075 1 81 . 1 1 21 21 ALA C C 13 178.2 0.1 . 1 . . . . . . . . 4075 1 82 . 1 1 21 21 ALA CA C 13 52.9 0.1 . 1 . . . . . . . . 4075 1 83 . 1 1 21 21 ALA N N 15 126.4 0.1 . 1 . . . . . . . . 4075 1 84 . 1 1 22 22 GLY H H 1 8.19 0.01 . 1 . . . . . . . . 4075 1 85 . 1 1 22 22 GLY HA2 H 1 3.9 0.1 . 2 . . . . . . . . 4075 1 86 . 1 1 22 22 GLY C C 13 174.00 0.1 . 1 . . . . . . . . 4075 1 87 . 1 1 22 22 GLY CA C 13 45.3 0.1 . 1 . . . . . . . . 4075 1 88 . 1 1 22 22 GLY N N 15 107.3 0.1 . 1 . . . . . . . . 4075 1 89 . 1 1 23 23 LEU H H 1 7.87 0.01 . 1 . . . . . . . . 4075 1 90 . 1 1 23 23 LEU HA H 1 4.31 0.01 . 1 . . . . . . . . 4075 1 91 . 1 1 23 23 LEU C C 13 177.3 0.1 . 1 . . . . . . . . 4075 1 92 . 1 1 23 23 LEU CA C 13 55.2 0.1 . 1 . . . . . . . . 4075 1 93 . 1 1 23 23 LEU N N 15 121.2 0.1 . 1 . . . . . . . . 4075 1 94 . 1 1 24 24 LYS H H 1 8.29 0.01 . 1 . . . . . . . . 4075 1 95 . 1 1 24 24 LYS HA H 1 4.33 0.01 . 1 . . . . . . . . 4075 1 96 . 1 1 24 24 LYS C C 13 176.2 0.1 . 1 . . . . . . . . 4075 1 97 . 1 1 24 24 LYS CA C 13 56.1 0.1 . 1 . . . . . . . . 4075 1 98 . 1 1 24 24 LYS N N 15 122.3 0.1 . 1 . . . . . . . . 4075 1 99 . 1 1 25 25 VAL H H 1 7.95 0.01 . 1 . . . . . . . . 4075 1 100 . 1 1 25 25 VAL HA H 1 4.41 0.01 . 1 . . . . . . . . 4075 1 101 . 1 1 25 25 VAL C C 13 173.9 0.1 . 1 . . . . . . . . 4075 1 102 . 1 1 25 25 VAL CA C 13 59.5 0.1 . 1 . . . . . . . . 4075 1 103 . 1 1 25 25 VAL N N 15 122.00 0.1 . 1 . . . . . . . . 4075 1 104 . 1 1 29 29 SER HA H 1 4.7 0.01 . 1 . . . . . . . . 4075 1 105 . 1 1 29 29 SER C C 13 174.6 0.1 . 1 . . . . . . . . 4075 1 106 . 1 1 30 30 ILE H H 1 9.16 0.01 . 1 . . . . . . . . 4075 1 107 . 1 1 30 30 ILE HA H 1 4.01 0.01 . 1 . . . . . . . . 4075 1 108 . 1 1 30 30 ILE C C 13 178.00 0.1 . 1 . . . . . . . . 4075 1 109 . 1 1 30 30 ILE CA C 13 64.2 0.1 . 1 . . . . . . . . 4075 1 110 . 1 1 30 30 ILE N N 15 129.9 0.1 . 1 . . . . . . . . 4075 1 111 . 1 1 31 31 GLU H H 1 8.93 0.01 . 1 . . . . . . . . 4075 1 112 . 1 1 31 31 GLU HA H 1 4.12 0.01 . 1 . . . . . . . . 4075 1 113 . 1 1 31 31 GLU C C 13 179.4 0.1 . 1 . . . . . . . . 4075 1 114 . 1 1 31 31 GLU CA C 13 60.00 0.1 . 1 . . . . . . . . 4075 1 115 . 1 1 31 31 GLU N N 15 120.1 0.1 . 1 . . . . . . . . 4075 1 116 . 1 1 32 32 ALA H H 1 8.02 0.01 . 1 . . . . . . . . 4075 1 117 . 1 1 32 32 ALA HA H 1 3.81 0.01 . 1 . . . . . . . . 4075 1 118 . 1 1 32 32 ALA C C 13 179.2 0.1 . 1 . . . . . . . . 4075 1 119 . 1 1 32 32 ALA CA C 13 55.5 0.1 . 1 . . . . . . . . 4075 1 120 . 1 1 32 32 ALA N N 15 122.7 0.1 . 1 . . . . . . . . 4075 1 121 . 1 1 33 33 GLU H H 1 7.9 0.01 . 1 . . . . . . . . 4075 1 122 . 1 1 33 33 GLU HA H 1 3.79 0.01 . 1 . . . . . . . . 4075 1 123 . 1 1 33 33 GLU C C 13 178.9 0.1 . 1 . . . . . . . . 4075 1 124 . 1 1 33 33 GLU CA C 13 60.9 0.1 . 1 . . . . . . . . 4075 1 125 . 1 1 33 33 GLU N N 15 115.8 0.1 . 1 . . . . . . . . 4075 1 126 . 1 1 34 34 GLN H H 1 8.65 0.01 . 1 . . . . . . . . 4075 1 127 . 1 1 34 34 GLN HA H 1 3.56 0.01 . 1 . . . . . . . . 4075 1 128 . 1 1 34 34 GLN C C 13 178.7 0.1 . 1 . . . . . . . . 4075 1 129 . 1 1 34 34 GLN CA C 13 59.6 0.1 . 1 . . . . . . . . 4075 1 130 . 1 1 34 34 GLN N N 15 115.2 0.1 . 1 . . . . . . . . 4075 1 131 . 1 1 35 35 SER H H 1 7.87 0.01 . 1 . . . . . . . . 4075 1 132 . 1 1 35 35 SER HA H 1 4.15 0.01 . 1 . . . . . . . . 4075 1 133 . 1 1 35 35 SER C C 13 176.9 0.1 . 1 . . . . . . . . 4075 1 134 . 1 1 35 35 SER CA C 13 62.4 0.1 . 1 . . . . . . . . 4075 1 135 . 1 1 35 35 SER N N 15 114.8 0.1 . 1 . . . . . . . . 4075 1 136 . 1 1 36 36 VAL H H 1 7.99 0.01 . 1 . . . . . . . . 4075 1 137 . 1 1 36 36 VAL HA H 1 3.67 0.01 . 1 . . . . . . . . 4075 1 138 . 1 1 36 36 VAL C C 13 176.4 0.1 . 1 . . . . . . . . 4075 1 139 . 1 1 36 36 VAL CA C 13 66.9 0.1 . 1 . . . . . . . . 4075 1 140 . 1 1 36 36 VAL N N 15 121.7 0.1 . 1 . . . . . . . . 4075 1 141 . 1 1 37 37 LEU H H 1 7.7 0.01 . 1 . . . . . . . . 4075 1 142 . 1 1 37 37 LEU HA H 1 4.05 0.01 . 1 . . . . . . . . 4075 1 143 . 1 1 37 37 LEU C C 13 179.00 0.1 . 1 . . . . . . . . 4075 1 144 . 1 1 37 37 LEU CA C 13 58.2 0.1 . 1 . . . . . . . . 4075 1 145 . 1 1 37 37 LEU N N 15 116.2 0.1 . 1 . . . . . . . . 4075 1 146 . 1 1 38 38 GLY H H 1 8.81 0.01 . 1 . . . . . . . . 4075 1 147 . 1 1 38 38 GLY HA2 H 1 3.88 0.1 . 2 . . . . . . . . 4075 1 148 . 1 1 38 38 GLY HA3 H 1 3.5 0.1 . 2 . . . . . . . . 4075 1 149 . 1 1 38 38 GLY C C 13 176.6 0.1 . 1 . . . . . . . . 4075 1 150 . 1 1 38 38 GLY CA C 13 47.4 0.1 . 1 . . . . . . . . 4075 1 151 . 1 1 38 38 GLY N N 15 104.6 0.1 . 1 . . . . . . . . 4075 1 152 . 1 1 39 39 GLY H H 1 8.06 0.01 . 1 . . . . . . . . 4075 1 153 . 1 1 39 39 GLY HA2 H 1 3.75 0.1 . 2 . . . . . . . . 4075 1 154 . 1 1 39 39 GLY C C 13 175.8 0.1 . 1 . . . . . . . . 4075 1 155 . 1 1 39 39 GLY CA C 13 47.6 0.1 . 1 . . . . . . . . 4075 1 156 . 1 1 39 39 GLY N N 15 108.6 0.1 . 1 . . . . . . . . 4075 1 157 . 1 1 40 40 LEU H H 1 7.93 0.01 . 1 . . . . . . . . 4075 1 158 . 1 1 40 40 LEU HA H 1 4.14 0.01 . 1 . . . . . . . . 4075 1 159 . 1 1 40 40 LEU C C 13 178.3 0.1 . 1 . . . . . . . . 4075 1 160 . 1 1 40 40 LEU CA C 13 56.9 0.1 . 1 . . . . . . . . 4075 1 161 . 1 1 40 40 LEU N N 15 122.1 0.1 . 1 . . . . . . . . 4075 1 162 . 1 1 41 41 MET H H 1 7.29 0.01 . 1 . . . . . . . . 4075 1 163 . 1 1 41 41 MET HA H 1 4.2 0.01 . 1 . . . . . . . . 4075 1 164 . 1 1 41 41 MET C C 13 178.6 0.1 . 1 . . . . . . . . 4075 1 165 . 1 1 41 41 MET CA C 13 58.9 0.1 . 1 . . . . . . . . 4075 1 166 . 1 1 41 41 MET N N 15 115.5 0.1 . 1 . . . . . . . . 4075 1 167 . 1 1 42 42 LEU H H 1 7.29 0.01 . 1 . . . . . . . . 4075 1 168 . 1 1 42 42 LEU HA H 1 4.23 0.01 . 1 . . . . . . . . 4075 1 169 . 1 1 42 42 LEU C C 13 177.2 0.1 . 1 . . . . . . . . 4075 1 170 . 1 1 42 42 LEU CA C 13 56.5 0.1 . 1 . . . . . . . . 4075 1 171 . 1 1 42 42 LEU N N 15 118.1 0.1 . 1 . . . . . . . . 4075 1 172 . 1 1 43 43 ASP H H 1 8.1 0.01 . 1 . . . . . . . . 4075 1 173 . 1 1 43 43 ASP HA H 1 4.93 0.01 . 1 . . . . . . . . 4075 1 174 . 1 1 43 43 ASP C C 13 175.3 0.1 . 1 . . . . . . . . 4075 1 175 . 1 1 43 43 ASP CA C 13 52.5 0.1 . 1 . . . . . . . . 4075 1 176 . 1 1 43 43 ASP N N 15 119.4 0.1 . 1 . . . . . . . . 4075 1 177 . 1 1 44 44 ASN H H 1 9.1 0.01 . 1 . . . . . . . . 4075 1 178 . 1 1 44 44 ASN HA H 1 4.55 0.01 . 1 . . . . . . . . 4075 1 179 . 1 1 44 44 ASN C C 13 177.4 0.1 . 1 . . . . . . . . 4075 1 180 . 1 1 44 44 ASN CA C 13 55.1 0.1 . 1 . . . . . . . . 4075 1 181 . 1 1 44 44 ASN N N 15 120.6 0.1 . 1 . . . . . . . . 4075 1 182 . 1 1 45 45 GLU H H 1 8.35 0.01 . 1 . . . . . . . . 4075 1 183 . 1 1 45 45 GLU HA H 1 4.26 0.01 . 1 . . . . . . . . 4075 1 184 . 1 1 45 45 GLU C C 13 177.6 0.1 . 1 . . . . . . . . 4075 1 185 . 1 1 45 45 GLU CA C 13 58.1 0.1 . 1 . . . . . . . . 4075 1 186 . 1 1 45 45 GLU N N 15 116.6 0.1 . 1 . . . . . . . . 4075 1 187 . 1 1 46 46 ARG H H 1 7.59 0.01 . 1 . . . . . . . . 4075 1 188 . 1 1 46 46 ARG HA H 1 4.52 0.01 . 1 . . . . . . . . 4075 1 189 . 1 1 46 46 ARG C C 13 175.4 0.1 . 1 . . . . . . . . 4075 1 190 . 1 1 46 46 ARG CA C 13 55.2 0.1 . 1 . . . . . . . . 4075 1 191 . 1 1 46 46 ARG N N 15 116.8 0.1 . 1 . . . . . . . . 4075 1 192 . 1 1 47 47 TRP H H 1 7.71 0.01 . 1 . . . . . . . . 4075 1 193 . 1 1 47 47 TRP HA H 1 4.00 0.01 . 1 . . . . . . . . 4075 1 194 . 1 1 47 47 TRP C C 13 176.3 0.1 . 1 . . . . . . . . 4075 1 195 . 1 1 47 47 TRP CA C 13 61.5 0.1 . 1 . . . . . . . . 4075 1 196 . 1 1 47 47 TRP N N 15 119.4 0.1 . 1 . . . . . . . . 4075 1 197 . 1 1 48 48 ASP H H 1 8.34 0.01 . 1 . . . . . . . . 4075 1 198 . 1 1 48 48 ASP HA H 1 4.06 0.01 . 1 . . . . . . . . 4075 1 199 . 1 1 48 48 ASP C C 13 178.3 0.1 . 1 . . . . . . . . 4075 1 200 . 1 1 48 48 ASP CA C 13 58.00 0.1 . 1 . . . . . . . . 4075 1 201 . 1 1 48 48 ASP N N 15 115.6 0.1 . 1 . . . . . . . . 4075 1 202 . 1 1 49 49 ASP H H 1 7.77 0.01 . 1 . . . . . . . . 4075 1 203 . 1 1 49 49 ASP HA H 1 4.24 0.01 . 1 . . . . . . . . 4075 1 204 . 1 1 49 49 ASP C C 13 178.3 0.1 . 1 . . . . . . . . 4075 1 205 . 1 1 49 49 ASP CA C 13 56.9 0.1 . 1 . . . . . . . . 4075 1 206 . 1 1 49 49 ASP N N 15 117.7 0.1 . 1 . . . . . . . . 4075 1 207 . 1 1 50 50 VAL H H 1 7.58 0.01 . 1 . . . . . . . . 4075 1 208 . 1 1 50 50 VAL HA H 1 3.35 0.01 . 1 . . . . . . . . 4075 1 209 . 1 1 50 50 VAL C C 13 177.7 0.1 . 1 . . . . . . . . 4075 1 210 . 1 1 50 50 VAL CA C 13 66.7 0.1 . 1 . . . . . . . . 4075 1 211 . 1 1 50 50 VAL N N 15 118.3 0.1 . 1 . . . . . . . . 4075 1 212 . 1 1 51 51 ALA H H 1 8.79 0.01 . 1 . . . . . . . . 4075 1 213 . 1 1 51 51 ALA HA H 1 4.04 0.01 . 1 . . . . . . . . 4075 1 214 . 1 1 51 51 ALA C C 13 178.8 0.1 . 1 . . . . . . . . 4075 1 215 . 1 1 51 51 ALA CA C 13 53.9 0.1 . 1 . . . . . . . . 4075 1 216 . 1 1 51 51 ALA N N 15 121.9 0.1 . 1 . . . . . . . . 4075 1 217 . 1 1 52 52 GLU H H 1 7.18 0.01 . 1 . . . . . . . . 4075 1 218 . 1 1 52 52 GLU HA H 1 4.22 0.01 . 1 . . . . . . . . 4075 1 219 . 1 1 52 52 GLU C C 13 177.00 0.1 . 1 . . . . . . . . 4075 1 220 . 1 1 52 52 GLU CA C 13 57.00 0.1 . 1 . . . . . . . . 4075 1 221 . 1 1 52 52 GLU N N 15 113.7 0.1 . 1 . . . . . . . . 4075 1 222 . 1 1 53 53 ARG H H 1 7.82 0.01 . 1 . . . . . . . . 4075 1 223 . 1 1 53 53 ARG HA H 1 4.28 0.01 . 1 . . . . . . . . 4075 1 224 . 1 1 53 53 ARG C C 13 175.3 0.1 . 1 . . . . . . . . 4075 1 225 . 1 1 53 53 ARG CA C 13 57.1 0.1 . 1 . . . . . . . . 4075 1 226 . 1 1 53 53 ARG N N 15 118.3 0.1 . 1 . . . . . . . . 4075 1 227 . 1 1 54 54 VAL H H 1 7.63 0.01 . 1 . . . . . . . . 4075 1 228 . 1 1 54 54 VAL HA H 1 4.79 0.01 . 1 . . . . . . . . 4075 1 229 . 1 1 54 54 VAL C C 13 173.6 0.1 . 1 . . . . . . . . 4075 1 230 . 1 1 54 54 VAL CA C 13 59.00 0.1 . 1 . . . . . . . . 4075 1 231 . 1 1 54 54 VAL N N 15 112.5 0.1 . 1 . . . . . . . . 4075 1 232 . 1 1 55 55 VAL H H 1 8.29 0.01 . 1 . . . . . . . . 4075 1 233 . 1 1 55 55 VAL HA H 1 4.66 0.01 . 1 . . . . . . . . 4075 1 234 . 1 1 55 55 VAL C C 13 177.6 0.1 . 1 . . . . . . . . 4075 1 235 . 1 1 55 55 VAL CA C 13 58.8 0.1 . 1 . . . . . . . . 4075 1 236 . 1 1 55 55 VAL N N 15 113.1 0.1 . 1 . . . . . . . . 4075 1 237 . 1 1 56 56 ALA H H 1 8.99 0.01 . 1 . . . . . . . . 4075 1 238 . 1 1 56 56 ALA HA H 1 3.94 0.01 . 1 . . . . . . . . 4075 1 239 . 1 1 56 56 ALA C C 13 179.2 0.1 . 1 . . . . . . . . 4075 1 240 . 1 1 56 56 ALA CA C 13 56.5 0.1 . 1 . . . . . . . . 4075 1 241 . 1 1 56 56 ALA N N 15 123.6 0.1 . 1 . . . . . . . . 4075 1 242 . 1 1 57 57 ASP H H 1 8.04 0.01 . 1 . . . . . . . . 4075 1 243 . 1 1 57 57 ASP HA H 1 4.34 0.01 . 1 . . . . . . . . 4075 1 244 . 1 1 57 57 ASP C C 13 176.1 0.1 . 1 . . . . . . . . 4075 1 245 . 1 1 57 57 ASP CA C 13 56.00 0.1 . 1 . . . . . . . . 4075 1 246 . 1 1 57 57 ASP N N 15 110.7 0.1 . 1 . . . . . . . . 4075 1 247 . 1 1 58 58 ASP H H 1 7.94 0.01 . 1 . . . . . . . . 4075 1 248 . 1 1 58 58 ASP HA H 1 4.28 0.01 . 1 . . . . . . . . 4075 1 249 . 1 1 58 58 ASP CA C 13 56.3 0.1 . 1 . . . . . . . . 4075 1 250 . 1 1 58 58 ASP N N 15 117.4 0.1 . 1 . . . . . . . . 4075 1 251 . 1 1 63 63 PRO HA H 1 4.25 0.01 . 1 . . . . . . . . 4075 1 252 . 1 1 63 63 PRO C C 13 178.2 0.1 . 1 . . . . . . . . 4075 1 253 . 1 1 63 63 PRO CA C 13 66.4 0.1 . 1 . . . . . . . . 4075 1 254 . 1 1 64 64 HIS H H 1 7.2 0.01 . 1 . . . . . . . . 4075 1 255 . 1 1 64 64 HIS HA H 1 4.33 0.01 . 1 . . . . . . . . 4075 1 256 . 1 1 64 64 HIS C C 13 176.8 0.1 . 1 . . . . . . . . 4075 1 257 . 1 1 64 64 HIS CA C 13 57.1 0.1 . 1 . . . . . . . . 4075 1 258 . 1 1 64 64 HIS N N 15 114.00 0.1 . 1 . . . . . . . . 4075 1 259 . 1 1 65 65 ARG H H 1 8.03 0.01 . 1 . . . . . . . . 4075 1 260 . 1 1 65 65 ARG HA H 1 3.89 0.01 . 1 . . . . . . . . 4075 1 261 . 1 1 65 65 ARG CA C 13 60.7 0.1 . 1 . . . . . . . . 4075 1 262 . 1 1 65 65 ARG N N 15 119.00 0.1 . 1 . . . . . . . . 4075 1 263 . 1 1 66 66 HIS H H 1 8.18 0.01 . 1 . . . . . . . . 4075 1 264 . 1 1 66 66 HIS HA H 1 4.3 0.01 . 1 . . . . . . . . 4075 1 265 . 1 1 66 66 HIS C C 13 178.8 0.1 . 1 . . . . . . . . 4075 1 266 . 1 1 66 66 HIS CA C 13 58.9 0.1 . 1 . . . . . . . . 4075 1 267 . 1 1 66 66 HIS N N 15 119.3 0.1 . 1 . . . . . . . . 4075 1 268 . 1 1 67 67 ILE H H 1 8.66 0.01 . 1 . . . . . . . . 4075 1 269 . 1 1 67 67 ILE HA H 1 3.46 0.01 . 1 . . . . . . . . 4075 1 270 . 1 1 67 67 ILE C C 13 176.8 0.1 . 1 . . . . . . . . 4075 1 271 . 1 1 67 67 ILE CA C 13 66.9 0.1 . 1 . . . . . . . . 4075 1 272 . 1 1 67 67 ILE N N 15 120.2 0.1 . 1 . . . . . . . . 4075 1 273 . 1 1 68 68 PHE H H 1 8.41 0.01 . 1 . . . . . . . . 4075 1 274 . 1 1 68 68 PHE HA H 1 4.02 0.01 . 1 . . . . . . . . 4075 1 275 . 1 1 68 68 PHE C C 13 177.1 0.1 . 1 . . . . . . . . 4075 1 276 . 1 1 68 68 PHE CA C 13 62.7 0.1 . 1 . . . . . . . . 4075 1 277 . 1 1 68 68 PHE N N 15 120.00 0.1 . 1 . . . . . . . . 4075 1 278 . 1 1 69 69 THR H H 1 8.21 0.01 . 1 . . . . . . . . 4075 1 279 . 1 1 69 69 THR HA H 1 3.94 0.01 . 1 . . . . . . . . 4075 1 280 . 1 1 69 69 THR C C 13 176.4 0.1 . 1 . . . . . . . . 4075 1 281 . 1 1 69 69 THR CA C 13 67.1 0.1 . 1 . . . . . . . . 4075 1 282 . 1 1 69 69 THR N N 15 113.4 0.1 . 1 . . . . . . . . 4075 1 283 . 1 1 70 70 GLU H H 1 7.92 0.01 . 1 . . . . . . . . 4075 1 284 . 1 1 70 70 GLU HA H 1 4.31 0.01 . 1 . . . . . . . . 4075 1 285 . 1 1 70 70 GLU C C 13 178.3 0.1 . 1 . . . . . . . . 4075 1 286 . 1 1 70 70 GLU CA C 13 58.2 0.1 . 1 . . . . . . . . 4075 1 287 . 1 1 70 70 GLU N N 15 123.3 0.1 . 1 . . . . . . . . 4075 1 288 . 1 1 71 71 MET H H 1 8.47 0.01 . 1 . . . . . . . . 4075 1 289 . 1 1 71 71 MET HA H 1 3.57 0.01 . 1 . . . . . . . . 4075 1 290 . 1 1 71 71 MET C C 13 176.7 0.1 . 1 . . . . . . . . 4075 1 291 . 1 1 71 71 MET CA C 13 60.3 0.1 . 1 . . . . . . . . 4075 1 292 . 1 1 71 71 MET N N 15 119.4 0.1 . 1 . . . . . . . . 4075 1 293 . 1 1 72 72 ALA H H 1 7.94 0.01 . 1 . . . . . . . . 4075 1 294 . 1 1 72 72 ALA HA H 1 3.34 0.01 . 1 . . . . . . . . 4075 1 295 . 1 1 72 72 ALA C C 13 180.3 0.1 . 1 . . . . . . . . 4075 1 296 . 1 1 72 72 ALA CA C 13 54.9 0.1 . 1 . . . . . . . . 4075 1 297 . 1 1 72 72 ALA N N 15 119.8 0.1 . 1 . . . . . . . . 4075 1 298 . 1 1 73 73 ARG H H 1 7.71 0.01 . 1 . . . . . . . . 4075 1 299 . 1 1 73 73 ARG HA H 1 3.88 0.01 . 1 . . . . . . . . 4075 1 300 . 1 1 73 73 ARG C C 13 180.2 0.1 . 1 . . . . . . . . 4075 1 301 . 1 1 73 73 ARG CA C 13 59.1 0.1 . 1 . . . . . . . . 4075 1 302 . 1 1 73 73 ARG N N 15 120.2 0.1 . 1 . . . . . . . . 4075 1 303 . 1 1 74 74 LEU H H 1 8.38 0.01 . 1 . . . . . . . . 4075 1 304 . 1 1 74 74 LEU HA H 1 3.75 0.01 . 1 . . . . . . . . 4075 1 305 . 1 1 74 74 LEU C C 13 179.8 0.1 . 1 . . . . . . . . 4075 1 306 . 1 1 74 74 LEU CA C 13 58.00 0.1 . 1 . . . . . . . . 4075 1 307 . 1 1 74 74 LEU N N 15 122.2 0.1 . 1 . . . . . . . . 4075 1 308 . 1 1 75 75 GLN H H 1 8.38 0.01 . 1 . . . . . . . . 4075 1 309 . 1 1 75 75 GLN HA H 1 3.73 0.01 . 1 . . . . . . . . 4075 1 310 . 1 1 75 75 GLN C C 13 180.4 0.1 . 1 . . . . . . . . 4075 1 311 . 1 1 75 75 GLN CA C 13 59.2 0.1 . 1 . . . . . . . . 4075 1 312 . 1 1 75 75 GLN N N 15 120.4 0.1 . 1 . . . . . . . . 4075 1 313 . 1 1 76 76 GLU H H 1 7.89 0.01 . 1 . . . . . . . . 4075 1 314 . 1 1 76 76 GLU HA H 1 3.92 0.01 . 1 . . . . . . . . 4075 1 315 . 1 1 76 76 GLU C C 13 177.6 0.1 . 1 . . . . . . . . 4075 1 316 . 1 1 76 76 GLU CA C 13 58.9 0.1 . 1 . . . . . . . . 4075 1 317 . 1 1 76 76 GLU N N 15 120.6 0.1 . 1 . . . . . . . . 4075 1 318 . 1 1 77 77 SER H H 1 7.41 0.01 . 1 . . . . . . . . 4075 1 319 . 1 1 77 77 SER HA H 1 4.5 0.01 . 1 . . . . . . . . 4075 1 320 . 1 1 77 77 SER C C 13 174.6 0.1 . 1 . . . . . . . . 4075 1 321 . 1 1 77 77 SER CA C 13 58.4 0.1 . 1 . . . . . . . . 4075 1 322 . 1 1 77 77 SER N N 15 111.9 0.1 . 1 . . . . . . . . 4075 1 323 . 1 1 78 78 GLY H H 1 7.77 0.01 . 1 . . . . . . . . 4075 1 324 . 1 1 78 78 GLY HA2 H 1 4.1 0.1 . 2 . . . . . . . . 4075 1 325 . 1 1 78 78 GLY HA3 H 1 3.76 0.1 . 2 . . . . . . . . 4075 1 326 . 1 1 78 78 GLY C C 13 174.6 0.1 . 1 . . . . . . . . 4075 1 327 . 1 1 78 78 GLY CA C 13 45.7 0.1 . 1 . . . . . . . . 4075 1 328 . 1 1 78 78 GLY N N 15 109.9 0.1 . 1 . . . . . . . . 4075 1 329 . 1 1 79 79 SER H H 1 7.84 0.01 . 1 . . . . . . . . 4075 1 330 . 1 1 79 79 SER HA H 1 4.83 0.01 . 1 . . . . . . . . 4075 1 331 . 1 1 79 79 SER CA C 13 56.00 0.1 . 1 . . . . . . . . 4075 1 332 . 1 1 79 79 SER N N 15 117.1 0.1 . 1 . . . . . . . . 4075 1 333 . 1 1 80 80 PRO HA H 1 4.43 0.01 . 1 . . . . . . . . 4075 1 334 . 1 1 80 80 PRO C C 13 174.5 0.1 . 1 . . . . . . . . 4075 1 335 . 1 1 80 80 PRO CA C 13 62.8 0.1 . 1 . . . . . . . . 4075 1 336 . 1 1 81 81 ILE H H 1 7.06 0.01 . 1 . . . . . . . . 4075 1 337 . 1 1 81 81 ILE HA H 1 4.33 0.01 . 1 . . . . . . . . 4075 1 338 . 1 1 81 81 ILE C C 13 173.4 0.1 . 1 . . . . . . . . 4075 1 339 . 1 1 81 81 ILE CA C 13 60.1 0.1 . 1 . . . . . . . . 4075 1 340 . 1 1 81 81 ILE N N 15 108.8 0.1 . 1 . . . . . . . . 4075 1 341 . 1 1 82 82 ASP H H 1 7.4 0.01 . 1 . . . . . . . . 4075 1 342 . 1 1 82 82 ASP HA H 1 4.81 0.01 . 1 . . . . . . . . 4075 1 343 . 1 1 82 82 ASP C C 13 173.6 0.1 . 1 . . . . . . . . 4075 1 344 . 1 1 82 82 ASP CA C 13 52.8 0.1 . 1 . . . . . . . . 4075 1 345 . 1 1 82 82 ASP N N 15 113.9 0.1 . 1 . . . . . . . . 4075 1 346 . 1 1 83 83 LEU H H 1 8.37 0.01 . 1 . . . . . . . . 4075 1 347 . 1 1 83 83 LEU HA H 1 3.94 0.01 . 1 . . . . . . . . 4075 1 348 . 1 1 83 83 LEU C C 13 177.00 0.1 . 1 . . . . . . . . 4075 1 349 . 1 1 83 83 LEU CA C 13 59.2 0.1 . 1 . . . . . . . . 4075 1 350 . 1 1 83 83 LEU N N 15 118.3 0.1 . 1 . . . . . . . . 4075 1 351 . 1 1 84 84 ILE H H 1 7.59 0.01 . 1 . . . . . . . . 4075 1 352 . 1 1 84 84 ILE HA H 1 3.8 0.01 . 1 . . . . . . . . 4075 1 353 . 1 1 84 84 ILE C C 13 178.4 0.1 . 1 . . . . . . . . 4075 1 354 . 1 1 84 84 ILE CA C 13 64.2 0.1 . 1 . . . . . . . . 4075 1 355 . 1 1 84 84 ILE N N 15 115.3 0.1 . 1 . . . . . . . . 4075 1 356 . 1 1 85 85 THR H H 1 7.95 0.01 . 1 . . . . . . . . 4075 1 357 . 1 1 85 85 THR HA H 1 3.76 0.01 . 1 . . . . . . . . 4075 1 358 . 1 1 85 85 THR C C 13 177.9 0.1 . 1 . . . . . . . . 4075 1 359 . 1 1 85 85 THR CA C 13 66.8 0.1 . 1 . . . . . . . . 4075 1 360 . 1 1 85 85 THR N N 15 119.1 0.1 . 1 . . . . . . . . 4075 1 361 . 1 1 86 86 LEU H H 1 8.58 0.01 . 1 . . . . . . . . 4075 1 362 . 1 1 86 86 LEU HA H 1 3.86 0.01 . 1 . . . . . . . . 4075 1 363 . 1 1 86 86 LEU C C 13 178.00 0.1 . 1 . . . . . . . . 4075 1 364 . 1 1 86 86 LEU CA C 13 58.2 0.1 . 1 . . . . . . . . 4075 1 365 . 1 1 86 86 LEU N N 15 122.1 0.1 . 1 . . . . . . . . 4075 1 366 . 1 1 87 87 ALA H H 1 8.59 0.01 . 1 . . . . . . . . 4075 1 367 . 1 1 87 87 ALA HA H 1 3.81 0.01 . 1 . . . . . . . . 4075 1 368 . 1 1 87 87 ALA C C 13 179.8 0.1 . 1 . . . . . . . . 4075 1 369 . 1 1 87 87 ALA CA C 13 55.8 0.1 . 1 . . . . . . . . 4075 1 370 . 1 1 87 87 ALA N N 15 120.2 0.1 . 1 . . . . . . . . 4075 1 371 . 1 1 88 88 GLU H H 1 8.45 0.01 . 1 . . . . . . . . 4075 1 372 . 1 1 88 88 GLU HA H 1 4.01 0.01 . 1 . . . . . . . . 4075 1 373 . 1 1 88 88 GLU C C 13 179.1 0.1 . 1 . . . . . . . . 4075 1 374 . 1 1 88 88 GLU CA C 13 60.1 0.1 . 1 . . . . . . . . 4075 1 375 . 1 1 88 88 GLU N N 15 116.7 0.1 . 1 . . . . . . . . 4075 1 376 . 1 1 89 89 SER H H 1 8.02 0.01 . 1 . . . . . . . . 4075 1 377 . 1 1 89 89 SER HA H 1 4.12 0.01 . 1 . . . . . . . . 4075 1 378 . 1 1 89 89 SER C C 13 179.00 0.1 . 1 . . . . . . . . 4075 1 379 . 1 1 89 89 SER CA C 13 61.3 0.1 . 1 . . . . . . . . 4075 1 380 . 1 1 89 89 SER N N 15 114.2 0.1 . 1 . . . . . . . . 4075 1 381 . 1 1 90 90 LEU H H 1 8.4 0.01 . 1 . . . . . . . . 4075 1 382 . 1 1 90 90 LEU HA H 1 3.89 0.01 . 1 . . . . . . . . 4075 1 383 . 1 1 90 90 LEU C C 13 179.6 0.1 . 1 . . . . . . . . 4075 1 384 . 1 1 90 90 LEU CA C 13 58.1 0.1 . 1 . . . . . . . . 4075 1 385 . 1 1 90 90 LEU N N 15 118.4 0.1 . 1 . . . . . . . . 4075 1 386 . 1 1 91 91 GLU H H 1 8.84 0.01 . 1 . . . . . . . . 4075 1 387 . 1 1 91 91 GLU HA H 1 4.14 0.01 . 1 . . . . . . . . 4075 1 388 . 1 1 91 91 GLU C C 13 180.6 0.1 . 1 . . . . . . . . 4075 1 389 . 1 1 91 91 GLU CA C 13 59.9 0.1 . 1 . . . . . . . . 4075 1 390 . 1 1 91 91 GLU N N 15 122.2 0.1 . 1 . . . . . . . . 4075 1 391 . 1 1 92 92 ARG H H 1 8.42 0.01 . 1 . . . . . . . . 4075 1 392 . 1 1 92 92 ARG HA H 1 4.13 0.01 . 1 . . . . . . . . 4075 1 393 . 1 1 92 92 ARG C C 13 178.3 0.1 . 1 . . . . . . . . 4075 1 394 . 1 1 92 92 ARG CA C 13 59.4 0.1 . 1 . . . . . . . . 4075 1 395 . 1 1 92 92 ARG N N 15 121.5 0.1 . 1 . . . . . . . . 4075 1 396 . 1 1 93 93 GLN H H 1 7.33 0.01 . 1 . . . . . . . . 4075 1 397 . 1 1 93 93 GLN HA H 1 4.38 0.01 . 1 . . . . . . . . 4075 1 398 . 1 1 93 93 GLN C C 13 176.3 0.1 . 1 . . . . . . . . 4075 1 399 . 1 1 93 93 GLN CA C 13 55.7 0.1 . 1 . . . . . . . . 4075 1 400 . 1 1 93 93 GLN N N 15 114.2 0.1 . 1 . . . . . . . . 4075 1 401 . 1 1 94 94 GLY H H 1 8.16 0.01 . 1 . . . . . . . . 4075 1 402 . 1 1 94 94 GLY HA2 H 1 4.08 0.1 . 2 . . . . . . . . 4075 1 403 . 1 1 94 94 GLY C C 13 176.2 0.1 . 1 . . . . . . . . 4075 1 404 . 1 1 94 94 GLY CA C 13 46.5 0.1 . 1 . . . . . . . . 4075 1 405 . 1 1 94 94 GLY N N 15 109.5 0.1 . 1 . . . . . . . . 4075 1 406 . 1 1 95 95 GLN H H 1 8.18 0.01 . 1 . . . . . . . . 4075 1 407 . 1 1 95 95 GLN HA H 1 4.63 0.01 . 1 . . . . . . . . 4075 1 408 . 1 1 95 95 GLN C C 13 176.4 0.1 . 1 . . . . . . . . 4075 1 409 . 1 1 95 95 GLN CA C 13 55.00 0.1 . 1 . . . . . . . . 4075 1 410 . 1 1 95 95 GLN N N 15 115.2 0.1 . 1 . . . . . . . . 4075 1 411 . 1 1 96 96 LEU H H 1 7.74 0.01 . 1 . . . . . . . . 4075 1 412 . 1 1 96 96 LEU HA H 1 3.98 0.01 . 1 . . . . . . . . 4075 1 413 . 1 1 96 96 LEU C C 13 178.9 0.1 . 1 . . . . . . . . 4075 1 414 . 1 1 96 96 LEU CA C 13 58.2 0.1 . 1 . . . . . . . . 4075 1 415 . 1 1 96 96 LEU N N 15 122.9 0.1 . 1 . . . . . . . . 4075 1 416 . 1 1 97 97 ASP H H 1 8.54 0.01 . 1 . . . . . . . . 4075 1 417 . 1 1 97 97 ASP HA H 1 4.29 0.01 . 1 . . . . . . . . 4075 1 418 . 1 1 97 97 ASP C C 13 179.8 0.1 . 1 . . . . . . . . 4075 1 419 . 1 1 97 97 ASP CA C 13 57.6 0.1 . 1 . . . . . . . . 4075 1 420 . 1 1 97 97 ASP N N 15 118.7 0.1 . 1 . . . . . . . . 4075 1 421 . 1 1 98 98 SER H H 1 7.82 0.01 . 1 . . . . . . . . 4075 1 422 . 1 1 98 98 SER HA H 1 4.23 0.01 . 1 . . . . . . . . 4075 1 423 . 1 1 98 98 SER C C 13 175.8 0.1 . 1 . . . . . . . . 4075 1 424 . 1 1 98 98 SER CA C 13 61.00 0.1 . 1 . . . . . . . . 4075 1 425 . 1 1 98 98 SER N N 15 115.2 0.1 . 1 . . . . . . . . 4075 1 426 . 1 1 99 99 VAL H H 1 7.11 0.01 . 1 . . . . . . . . 4075 1 427 . 1 1 99 99 VAL HA H 1 4.47 0.01 . 1 . . . . . . . . 4075 1 428 . 1 1 99 99 VAL C C 13 173.6 0.1 . 1 . . . . . . . . 4075 1 429 . 1 1 99 99 VAL CA C 13 60.4 0.1 . 1 . . . . . . . . 4075 1 430 . 1 1 99 99 VAL N N 15 111.2 0.1 . 1 . . . . . . . . 4075 1 431 . 1 1 100 100 GLY H H 1 7.39 0.01 . 1 . . . . . . . . 4075 1 432 . 1 1 100 100 GLY HA2 H 1 4.35 0.1 . 2 . . . . . . . . 4075 1 433 . 1 1 100 100 GLY HA3 H 1 3.55 0.1 . 2 . . . . . . . . 4075 1 434 . 1 1 100 100 GLY C C 13 175.4 0.1 . 1 . . . . . . . . 4075 1 435 . 1 1 100 100 GLY CA C 13 44.4 0.1 . 1 . . . . . . . . 4075 1 436 . 1 1 100 100 GLY N N 15 104.9 0.1 . 1 . . . . . . . . 4075 1 437 . 1 1 101 101 GLY H H 1 7.92 0.01 . 1 . . . . . . . . 4075 1 438 . 1 1 101 101 GLY HA2 H 1 3.68 0.01 . 2 . . . . . . . . 4075 1 439 . 1 1 101 101 GLY C C 13 172.9 0.1 . 1 . . . . . . . . 4075 1 440 . 1 1 101 101 GLY CA C 13 44.2 0.1 . 1 . . . . . . . . 4075 1 441 . 1 1 101 101 GLY N N 15 107.4 0.1 . 1 . . . . . . . . 4075 1 442 . 1 1 103 103 ALA HA H 1 3.94 0.01 . 1 . . . . . . . . 4075 1 443 . 1 1 103 103 ALA C C 13 180.2 0.1 . 1 . . . . . . . . 4075 1 444 . 1 1 103 103 ALA CA C 13 55.2 0.1 . 1 . . . . . . . . 4075 1 445 . 1 1 104 104 TYR H H 1 7.13 0.01 . 1 . . . . . . . . 4075 1 446 . 1 1 104 104 TYR HA H 1 4.36 0.01 . 1 . . . . . . . . 4075 1 447 . 1 1 104 104 TYR C C 13 177.2 0.1 . 1 . . . . . . . . 4075 1 448 . 1 1 104 104 TYR CA C 13 61.4 0.1 . 1 . . . . . . . . 4075 1 449 . 1 1 104 104 TYR N N 15 117.3 0.1 . 1 . . . . . . . . 4075 1 450 . 1 1 105 105 LEU H H 1 7.02 0.01 . 1 . . . . . . . . 4075 1 451 . 1 1 105 105 LEU HA H 1 3.56 0.01 . 1 . . . . . . . . 4075 1 452 . 1 1 105 105 LEU C C 13 178.6 0.1 . 1 . . . . . . . . 4075 1 453 . 1 1 105 105 LEU CA C 13 57.9 0.1 . 1 . . . . . . . . 4075 1 454 . 1 1 105 105 LEU N N 15 116.6 0.1 . 1 . . . . . . . . 4075 1 455 . 1 1 106 106 ALA H H 1 8.43 0.01 . 1 . . . . . . . . 4075 1 456 . 1 1 106 106 ALA HA H 1 3.67 0.01 . 1 . . . . . . . . 4075 1 457 . 1 1 106 106 ALA C C 13 180.7 0.1 . 1 . . . . . . . . 4075 1 458 . 1 1 106 106 ALA CA C 13 54.5 0.1 . 1 . . . . . . . . 4075 1 459 . 1 1 106 106 ALA N N 15 119.1 0.1 . 1 . . . . . . . . 4075 1 460 . 1 1 107 107 GLU H H 1 7.68 0.01 . 1 . . . . . . . . 4075 1 461 . 1 1 107 107 GLU HA H 1 3.82 0.01 . 1 . . . . . . . . 4075 1 462 . 1 1 107 107 GLU C C 13 179.1 0.1 . 1 . . . . . . . . 4075 1 463 . 1 1 107 107 GLU CA C 13 59.4 0.1 . 1 . . . . . . . . 4075 1 464 . 1 1 107 107 GLU N N 15 121.00 0.1 . 1 . . . . . . . . 4075 1 465 . 1 1 108 108 LEU H H 1 7.77 0.01 . 1 . . . . . . . . 4075 1 466 . 1 1 108 108 LEU HA H 1 3.69 0.01 . 1 . . . . . . . . 4075 1 467 . 1 1 108 108 LEU C C 13 179.4 0.1 . 1 . . . . . . . . 4075 1 468 . 1 1 108 108 LEU CA C 13 57.7 0.1 . 1 . . . . . . . . 4075 1 469 . 1 1 108 108 LEU N N 15 118.6 0.1 . 1 . . . . . . . . 4075 1 470 . 1 1 109 109 SER H H 1 7.53 0.01 . 1 . . . . . . . . 4075 1 471 . 1 1 109 109 SER HA H 1 4.18 0.01 . 1 . . . . . . . . 4075 1 472 . 1 1 109 109 SER C C 13 175.4 0.1 . 1 . . . . . . . . 4075 1 473 . 1 1 109 109 SER CA C 13 60.5 0.1 . 1 . . . . . . . . 4075 1 474 . 1 1 109 109 SER N N 15 111.7 0.1 . 1 . . . . . . . . 4075 1 475 . 1 1 110 110 LYS H H 1 7.66 0.01 . 1 . . . . . . . . 4075 1 476 . 1 1 110 110 LYS HA H 1 4.11 0.01 . 1 . . . . . . . . 4075 1 477 . 1 1 110 110 LYS C C 13 177.6 0.1 . 1 . . . . . . . . 4075 1 478 . 1 1 110 110 LYS CA C 13 57.9 0.1 . 1 . . . . . . . . 4075 1 479 . 1 1 110 110 LYS N N 15 120.2 0.1 . 1 . . . . . . . . 4075 1 480 . 1 1 111 111 ASN H H 1 7.75 0.01 . 1 . . . . . . . . 4075 1 481 . 1 1 111 111 ASN HA H 1 4.66 0.01 . 1 . . . . . . . . 4075 1 482 . 1 1 111 111 ASN C C 13 174.2 0.1 . 1 . . . . . . . . 4075 1 483 . 1 1 111 111 ASN CA C 13 53.4 0.1 . 1 . . . . . . . . 4075 1 484 . 1 1 111 111 ASN N N 15 116.5 0.1 . 1 . . . . . . . . 4075 1 485 . 1 1 112 112 THR H H 1 7.48 0.01 . 1 . . . . . . . . 4075 1 486 . 1 1 112 112 THR HA H 1 4.55 0.01 . 1 . . . . . . . . 4075 1 487 . 1 1 112 112 THR C C 13 172.8 0.1 . 1 . . . . . . . . 4075 1 488 . 1 1 112 112 THR CA C 13 59.5 0.1 . 1 . . . . . . . . 4075 1 489 . 1 1 112 112 THR N N 15 114.6 0.1 . 1 . . . . . . . . 4075 1 490 . 1 1 113 113 PRO HA H 1 4.53 0.01 . 1 . . . . . . . . 4075 1 491 . 1 1 113 113 PRO C C 13 176.6 0.1 . 1 . . . . . . . . 4075 1 492 . 1 1 113 113 PRO CA C 13 63.1 0.1 . 1 . . . . . . . . 4075 1 493 . 1 1 114 114 SER H H 1 7.97 0.01 . 1 . . . . . . . . 4075 1 494 . 1 1 114 114 SER HA H 1 4.42 0.01 . 1 . . . . . . . . 4075 1 495 . 1 1 114 114 SER C C 13 174.4 0.1 . 1 . . . . . . . . 4075 1 496 . 1 1 114 114 SER CA C 13 57.8 0.1 . 1 . . . . . . . . 4075 1 497 . 1 1 114 114 SER N N 15 113.2 0.1 . 1 . . . . . . . . 4075 1 498 . 1 1 115 115 ALA H H 1 8.81 0.01 . 1 . . . . . . . . 4075 1 499 . 1 1 115 115 ALA HA H 1 4.4 0.01 . 1 . . . . . . . . 4075 1 500 . 1 1 115 115 ALA C C 13 178.00 0.1 . 1 . . . . . . . . 4075 1 501 . 1 1 115 115 ALA CA C 13 53.00 0.1 . 1 . . . . . . . . 4075 1 502 . 1 1 115 115 ALA N N 15 125.4 0.1 . 1 . . . . . . . . 4075 1 503 . 1 1 116 116 ALA H H 1 8.1 0.01 . 1 . . . . . . . . 4075 1 504 . 1 1 116 116 ALA HA H 1 4.12 0.01 . 1 . . . . . . . . 4075 1 505 . 1 1 116 116 ALA C C 13 178.8 0.1 . 1 . . . . . . . . 4075 1 506 . 1 1 116 116 ALA CA C 13 54.2 0.1 . 1 . . . . . . . . 4075 1 507 . 1 1 116 116 ALA N N 15 120.4 0.1 . 1 . . . . . . . . 4075 1 508 . 1 1 117 117 ASN H H 1 8.26 0.01 . 1 . . . . . . . . 4075 1 509 . 1 1 117 117 ASN HA H 1 4.8 0.01 . 1 . . . . . . . . 4075 1 510 . 1 1 117 117 ASN C C 13 176.2 0.1 . 1 . . . . . . . . 4075 1 511 . 1 1 117 117 ASN CA C 13 52.9 0.1 . 1 . . . . . . . . 4075 1 512 . 1 1 117 117 ASN N N 15 116.1 0.1 . 1 . . . . . . . . 4075 1 513 . 1 1 118 118 ILE H H 1 8.00 0.01 . 1 . . . . . . . . 4075 1 514 . 1 1 118 118 ILE HA H 1 3.91 0.01 . 1 . . . . . . . . 4075 1 515 . 1 1 118 118 ILE C C 13 176.9 0.1 . 1 . . . . . . . . 4075 1 516 . 1 1 118 118 ILE CA C 13 66.1 0.1 . 1 . . . . . . . . 4075 1 517 . 1 1 118 118 ILE N N 15 121.00 0.1 . 1 . . . . . . . . 4075 1 518 . 1 1 119 119 SER H H 1 8.13 0.01 . 1 . . . . . . . . 4075 1 519 . 1 1 119 119 SER HA H 1 3.81 0.01 . 1 . . . . . . . . 4075 1 520 . 1 1 119 119 SER C C 13 174.9 0.1 . 1 . . . . . . . . 4075 1 521 . 1 1 119 119 SER CA C 13 62.5 0.1 . 1 . . . . . . . . 4075 1 522 . 1 1 119 119 SER N N 15 117.2 0.1 . 1 . . . . . . . . 4075 1 523 . 1 1 120 120 ALA H H 1 7.21 0.01 . 1 . . . . . . . . 4075 1 524 . 1 1 120 120 ALA HA H 1 4.12 0.01 . 1 . . . . . . . . 4075 1 525 . 1 1 120 120 ALA C C 13 181.5 0.1 . 1 . . . . . . . . 4075 1 526 . 1 1 120 120 ALA CA C 13 54.5 0.1 . 1 . . . . . . . . 4075 1 527 . 1 1 120 120 ALA N N 15 123.1 0.1 . 1 . . . . . . . . 4075 1 528 . 1 1 121 121 TYR H H 1 7.71 0.01 . 1 . . . . . . . . 4075 1 529 . 1 1 121 121 TYR HA H 1 4.4 0.01 . 1 . . . . . . . . 4075 1 530 . 1 1 121 121 TYR C C 13 177.8 0.1 . 1 . . . . . . . . 4075 1 531 . 1 1 121 121 TYR CA C 13 60.8 0.1 . 1 . . . . . . . . 4075 1 532 . 1 1 121 121 TYR N N 15 116.8 0.1 . 1 . . . . . . . . 4075 1 533 . 1 1 122 122 ALA H H 1 8.3 0.01 . 1 . . . . . . . . 4075 1 534 . 1 1 122 122 ALA HA H 1 3.73 0.01 . 1 . . . . . . . . 4075 1 535 . 1 1 122 122 ALA C C 13 177.9 0.1 . 1 . . . . . . . . 4075 1 536 . 1 1 122 122 ALA CA C 13 55.7 0.1 . 1 . . . . . . . . 4075 1 537 . 1 1 122 122 ALA N N 15 122.9 0.1 . 1 . . . . . . . . 4075 1 538 . 1 1 123 123 ASP H H 1 8.01 0.01 . 1 . . . . . . . . 4075 1 539 . 1 1 123 123 ASP HA H 1 4.37 0.01 . 1 . . . . . . . . 4075 1 540 . 1 1 123 123 ASP C C 13 179.1 0.1 . 1 . . . . . . . . 4075 1 541 . 1 1 123 123 ASP CA C 13 57.5 0.1 . 1 . . . . . . . . 4075 1 542 . 1 1 123 123 ASP N N 15 117.2 0.1 . 1 . . . . . . . . 4075 1 543 . 1 1 124 124 ILE H H 1 7.42 0.01 . 1 . . . . . . . . 4075 1 544 . 1 1 124 124 ILE HA H 1 3.76 0.01 . 1 . . . . . . . . 4075 1 545 . 1 1 124 124 ILE C C 13 177.4 0.1 . 1 . . . . . . . . 4075 1 546 . 1 1 124 124 ILE CA C 13 65.3 0.1 . 1 . . . . . . . . 4075 1 547 . 1 1 124 124 ILE N N 15 121.1 0.1 . 1 . . . . . . . . 4075 1 548 . 1 1 125 125 VAL H H 1 7.75 0.01 . 1 . . . . . . . . 4075 1 549 . 1 1 125 125 VAL HA H 1 3.37 0.01 . 1 . . . . . . . . 4075 1 550 . 1 1 125 125 VAL C C 13 179.7 0.1 . 1 . . . . . . . . 4075 1 551 . 1 1 125 125 VAL CA C 13 67.00 0.1 . 1 . . . . . . . . 4075 1 552 . 1 1 125 125 VAL N N 15 120.3 0.1 . 1 . . . . . . . . 4075 1 553 . 1 1 126 126 ARG H H 1 8.06 0.01 . 1 . . . . . . . . 4075 1 554 . 1 1 126 126 ARG HA H 1 3.82 0.01 . 1 . . . . . . . . 4075 1 555 . 1 1 126 126 ARG C C 13 177.4 0.1 . 1 . . . . . . . . 4075 1 556 . 1 1 126 126 ARG CA C 13 59.4 0.1 . 1 . . . . . . . . 4075 1 557 . 1 1 126 126 ARG N N 15 120.9 0.1 . 1 . . . . . . . . 4075 1 558 . 1 1 127 127 GLU H H 1 8.53 0.01 . 1 . . . . . . . . 4075 1 559 . 1 1 127 127 GLU HA H 1 3.92 0.01 . 1 . . . . . . . . 4075 1 560 . 1 1 127 127 GLU C C 13 180.00 0.1 . 1 . . . . . . . . 4075 1 561 . 1 1 127 127 GLU CA C 13 59.8 0.1 . 1 . . . . . . . . 4075 1 562 . 1 1 127 127 GLU N N 15 119.6 0.1 . 1 . . . . . . . . 4075 1 563 . 1 1 128 128 ARG H H 1 8.62 0.01 . 1 . . . . . . . . 4075 1 564 . 1 1 128 128 ARG HA H 1 3.99 0.01 . 1 . . . . . . . . 4075 1 565 . 1 1 128 128 ARG C C 13 177.5 0.1 . 1 . . . . . . . . 4075 1 566 . 1 1 128 128 ARG CA C 13 57.7 0.1 . 1 . . . . . . . . 4075 1 567 . 1 1 128 128 ARG N N 15 115.9 0.1 . 1 . . . . . . . . 4075 1 568 . 1 1 129 129 ALA H H 1 7.6 0.01 . 1 . . . . . . . . 4075 1 569 . 1 1 129 129 ALA HA H 1 3.98 0.01 . 1 . . . . . . . . 4075 1 570 . 1 1 129 129 ALA C C 13 180.4 0.1 . 1 . . . . . . . . 4075 1 571 . 1 1 129 129 ALA CA C 13 55.4 0.1 . 1 . . . . . . . . 4075 1 572 . 1 1 129 129 ALA N N 15 121.8 0.1 . 1 . . . . . . . . 4075 1 573 . 1 1 130 130 VAL H H 1 8.08 0.01 . 1 . . . . . . . . 4075 1 574 . 1 1 130 130 VAL HA H 1 3.67 0.01 . 1 . . . . . . . . 4075 1 575 . 1 1 130 130 VAL C C 13 179.00 0.1 . 1 . . . . . . . . 4075 1 576 . 1 1 130 130 VAL CA C 13 66.3 0.1 . 1 . . . . . . . . 4075 1 577 . 1 1 130 130 VAL N N 15 120.2 0.1 . 1 . . . . . . . . 4075 1 578 . 1 1 131 131 VAL H H 1 7.57 0.01 . 1 . . . . . . . . 4075 1 579 . 1 1 131 131 VAL HA H 1 3.75 0.01 . 1 . . . . . . . . 4075 1 580 . 1 1 131 131 VAL C C 13 178.3 0.1 . 1 . . . . . . . . 4075 1 581 . 1 1 131 131 VAL CA C 13 66.1 0.1 . 1 . . . . . . . . 4075 1 582 . 1 1 131 131 VAL N N 15 119.1 0.1 . 1 . . . . . . . . 4075 1 583 . 1 1 132 132 ARG H H 1 8.29 0.01 . 1 . . . . . . . . 4075 1 584 . 1 1 132 132 ARG HA H 1 3.97 0.01 . 1 . . . . . . . . 4075 1 585 . 1 1 132 132 ARG C C 13 178.5 0.1 . 1 . . . . . . . . 4075 1 586 . 1 1 132 132 ARG CA C 13 60.3 0.1 . 1 . . . . . . . . 4075 1 587 . 1 1 132 132 ARG N N 15 119.5 0.1 . 1 . . . . . . . . 4075 1 588 . 1 1 133 133 GLU H H 1 7.97 0.01 . 1 . . . . . . . . 4075 1 589 . 1 1 133 133 GLU HA H 1 4.18 0.01 . 1 . . . . . . . . 4075 1 590 . 1 1 133 133 GLU C C 13 178.00 0.1 . 1 . . . . . . . . 4075 1 591 . 1 1 133 133 GLU CA C 13 58.3 0.1 . 1 . . . . . . . . 4075 1 592 . 1 1 133 133 GLU N N 15 118.5 0.1 . 1 . . . . . . . . 4075 1 593 . 1 1 134 134 MET H H 1 7.89 0.01 . 1 . . . . . . . . 4075 1 594 . 1 1 134 134 MET HA H 1 4.29 0.01 . 1 . . . . . . . . 4075 1 595 . 1 1 134 134 MET C C 13 177.9 0.1 . 1 . . . . . . . . 4075 1 596 . 1 1 134 134 MET CA C 13 57.7 0.1 . 1 . . . . . . . . 4075 1 597 . 1 1 134 134 MET N N 15 118.5 0.1 . 1 . . . . . . . . 4075 1 598 . 1 1 135 135 ILE H H 1 7.97 0.01 . 1 . . . . . . . . 4075 1 599 . 1 1 135 135 ILE HA H 1 4.12 0.01 . 1 . . . . . . . . 4075 1 600 . 1 1 135 135 ILE C C 13 176.9 0.1 . 1 . . . . . . . . 4075 1 601 . 1 1 135 135 ILE CA C 13 62.6 0.1 . 1 . . . . . . . . 4075 1 602 . 1 1 135 135 ILE N N 15 118.3 0.1 . 1 . . . . . . . . 4075 1 603 . 1 1 136 136 SER H H 1 7.97 0.01 . 1 . . . . . . . . 4075 1 604 . 1 1 136 136 SER HA H 1 4.41 0.01 . 1 . . . . . . . . 4075 1 605 . 1 1 136 136 SER C C 13 175.2 0.1 . 1 . . . . . . . . 4075 1 606 . 1 1 136 136 SER CA C 13 59.4 0.1 . 1 . . . . . . . . 4075 1 607 . 1 1 136 136 SER N N 15 117.6 0.1 . 1 . . . . . . . . 4075 1 608 . 1 1 137 137 VAL H H 1 7.94 0.01 . 1 . . . . . . . . 4075 1 609 . 1 1 137 137 VAL HA H 1 4.13 0.01 . 1 . . . . . . . . 4075 1 610 . 1 1 137 137 VAL C C 13 176.3 0.1 . 1 . . . . . . . . 4075 1 611 . 1 1 137 137 VAL CA C 13 62.7 0.1 . 1 . . . . . . . . 4075 1 612 . 1 1 137 137 VAL N N 15 120.3 0.1 . 1 . . . . . . . . 4075 1 613 . 1 1 138 138 ALA H H 1 8.07 0.01 . 1 . . . . . . . . 4075 1 614 . 1 1 138 138 ALA HA H 1 4.3 0.01 . 1 . . . . . . . . 4075 1 615 . 1 1 138 138 ALA C C 13 177.6 0.1 . 1 . . . . . . . . 4075 1 616 . 1 1 138 138 ALA CA C 13 52.8 0.1 . 1 . . . . . . . . 4075 1 617 . 1 1 138 138 ALA N N 15 125.8 0.1 . 1 . . . . . . . . 4075 1 618 . 1 1 139 139 ASN H H 1 8.18 0.01 . 1 . . . . . . . . 4075 1 619 . 1 1 139 139 ASN HA H 1 4.68 0.01 . 1 . . . . . . . . 4075 1 620 . 1 1 139 139 ASN C C 13 175.1 0.1 . 1 . . . . . . . . 4075 1 621 . 1 1 139 139 ASN CA C 13 53.4 0.1 . 1 . . . . . . . . 4075 1 622 . 1 1 139 139 ASN N N 15 117.2 0.1 . 1 . . . . . . . . 4075 1 623 . 1 1 140 140 GLU H H 1 8.15 0.01 . 1 . . . . . . . . 4075 1 624 . 1 1 140 140 GLU HA H 1 4.28 0.01 . 1 . . . . . . . . 4075 1 625 . 1 1 140 140 GLU C C 13 176.2 0.1 . 1 . . . . . . . . 4075 1 626 . 1 1 140 140 GLU CA C 13 56.7 0.1 . 1 . . . . . . . . 4075 1 627 . 1 1 140 140 GLU N N 15 120.7 0.1 . 1 . . . . . . . . 4075 1 628 . 1 1 141 141 ILE H H 1 8.05 0.01 . 1 . . . . . . . . 4075 1 629 . 1 1 141 141 ILE HA H 1 4.16 0.01 . 1 . . . . . . . . 4075 1 630 . 1 1 141 141 ILE C C 13 174.9 0.1 . 1 . . . . . . . . 4075 1 631 . 1 1 141 141 ILE CA C 13 61.1 0.1 . 1 . . . . . . . . 4075 1 632 . 1 1 141 141 ILE N N 15 121.5 0.1 . 1 . . . . . . . . 4075 1 633 . 1 1 142 142 ALA H H 1 7.84 0.01 . 1 . . . . . . . . 4075 1 634 . 1 1 142 142 ALA HA H 1 4.13 0.01 . 1 . . . . . . . . 4075 1 635 . 1 1 142 142 ALA CA C 13 53.8 0.1 . 1 . . . . . . . . 4075 1 636 . 1 1 142 142 ALA N N 15 133.6 0.1 . 1 . . . . . . . . 4075 1 stop_ save_