################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6981 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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_1 isotropic 6981 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 SER HA H 1 3.813 . . 1 . . . . 2 SER HA . 6981 1 2 . 1 1 2 2 SER HB2 H 1 3.820 . . 2 . . . . 2 SER HB2 . 6981 1 3 . 1 1 2 2 SER HB3 H 1 3.784 . . 2 . . . . 2 SER HB3 . 6981 1 4 . 1 1 2 2 SER CA C 13 57.696 . . 1 . . . . 2 SER CA . 6981 1 5 . 1 1 2 2 SER CB C 13 64.482 . . 1 . . . . 2 SER CB . 6981 1 6 . 1 1 3 3 ASN HA H 1 5.005 . . 1 . . . . 3 ASN HA . 6981 1 7 . 1 1 3 3 ASN HB2 H 1 2.767 . . 2 . . . . 3 ASN HB2 . 6981 1 8 . 1 1 3 3 ASN HB3 H 1 2.591 . . 2 . . . . 3 ASN HB3 . 6981 1 9 . 1 1 3 3 ASN CA C 13 51.389 . . 1 . . . . 3 ASN CA . 6981 1 10 . 1 1 3 3 ASN CB C 13 38.380 . . 1 . . . . 3 ASN CB . 6981 1 11 . 1 1 4 4 PRO HA H 1 4.661 . . 1 . . . . 4 PRO HA . 6981 1 12 . 1 1 4 4 PRO HB2 H 1 1.880 . . 2 . . . . 4 PRO HB2 . 6981 1 13 . 1 1 4 4 PRO HB3 H 1 2.301 . . 2 . . . . 4 PRO HB3 . 6981 1 14 . 1 1 4 4 PRO HG2 H 1 2.007 . . 2 . . . . 4 PRO HG2 . 6981 1 15 . 1 1 4 4 PRO HG3 H 1 1.974 . . 2 . . . . 4 PRO HG3 . 6981 1 16 . 1 1 4 4 PRO HD2 H 1 3.780 . . 2 . . . . 4 PRO HD2 . 6981 1 17 . 1 1 4 4 PRO HD3 H 1 3.621 . . 2 . . . . 4 PRO HD3 . 6981 1 18 . 1 1 4 4 PRO CA C 13 61.555 . . 1 . . . . 4 PRO CA . 6981 1 19 . 1 1 4 4 PRO CB C 13 30.785 . . 1 . . . . 4 PRO CB . 6981 1 20 . 1 1 4 4 PRO CG C 13 27.260 . . 1 . . . . 4 PRO CG . 6981 1 21 . 1 1 4 4 PRO CD C 13 50.523 . . 1 . . . . 4 PRO CD . 6981 1 22 . 1 1 5 5 PRO HA H 1 4.437 . . 1 . . . . 5 PRO HA . 6981 1 23 . 1 1 5 5 PRO HB2 H 1 2.231 . . 2 . . . . 5 PRO HB2 . 6981 1 24 . 1 1 5 5 PRO HB3 H 1 1.869 . . 2 . . . . 5 PRO HB3 . 6981 1 25 . 1 1 5 5 PRO HG2 H 1 1.974 . . 1 . . . . 5 PRO QG . 6981 1 26 . 1 1 5 5 PRO HG3 H 1 1.974 . . 1 . . . . 5 PRO QG . 6981 1 27 . 1 1 5 5 PRO HD2 H 1 3.739 . . 2 . . . . 5 PRO HD2 . 6981 1 28 . 1 1 5 5 PRO HD3 H 1 3.599 . . 2 . . . . 5 PRO HD3 . 6981 1 29 . 1 1 5 5 PRO C C 13 175.335 . . 1 . . . . 5 PRO C . 6981 1 30 . 1 1 5 5 PRO CA C 13 62.860 . . 1 . . . . 5 PRO CA . 6981 1 31 . 1 1 5 5 PRO CB C 13 32.018 . . 1 . . . . 5 PRO CB . 6981 1 32 . 1 1 5 5 PRO CG C 13 27.289 . . 1 . . . . 5 PRO CG . 6981 1 33 . 1 1 5 5 PRO CD C 13 50.373 . . 1 . . . . 5 PRO CD . 6981 1 34 . 1 1 6 6 THR H H 1 7.828 . . 1 . . . . 6 THR HN . 6981 1 35 . 1 1 6 6 THR HA H 1 4.521 . . 1 . . . . 6 THR HA . 6981 1 36 . 1 1 6 6 THR HB H 1 4.091 . . 1 . . . . 6 THR HB . 6981 1 37 . 1 1 6 6 THR HG21 H 1 1.163 . . 1 . . . . 6 THR QG2 . 6981 1 38 . 1 1 6 6 THR HG22 H 1 1.163 . . 1 . . . . 6 THR QG2 . 6981 1 39 . 1 1 6 6 THR HG23 H 1 1.163 . . 1 . . . . 6 THR QG2 . 6981 1 40 . 1 1 6 6 THR CA C 13 59.652 . . 1 . . . . 6 THR CA . 6981 1 41 . 1 1 6 6 THR CB C 13 69.650 . . 1 . . . . 6 THR CB . 6981 1 42 . 1 1 6 6 THR CG2 C 13 21.470 . . 1 . . . . 6 THR CG2 . 6981 1 43 . 1 1 6 6 THR N N 15 112.936 . . 1 . . . . 6 THR N . 6981 1 44 . 1 1 7 7 PRO HA H 1 4.337 . . 1 . . . . 7 PRO HA . 6981 1 45 . 1 1 7 7 PRO HB2 H 1 1.807 . . 2 . . . . 7 PRO HB2 . 6981 1 46 . 1 1 7 7 PRO HB3 H 1 2.211 . . 2 . . . . 7 PRO HB3 . 6981 1 47 . 1 1 7 7 PRO HG2 H 1 1.941 . . 2 . . . . 7 PRO HG2 . 6981 1 48 . 1 1 7 7 PRO HG3 H 1 1.900 . . 2 . . . . 7 PRO HG3 . 6981 1 49 . 1 1 7 7 PRO HD2 H 1 3.776 . . 2 . . . . 7 PRO HD2 . 6981 1 50 . 1 1 7 7 PRO HD3 H 1 3.630 . . 2 . . . . 7 PRO HD3 . 6981 1 51 . 1 1 7 7 PRO C C 13 176.501 . . 1 . . . . 7 PRO C . 6981 1 52 . 1 1 7 7 PRO CA C 13 63.253 . . 1 . . . . 7 PRO CA . 6981 1 53 . 1 1 7 7 PRO CB C 13 32.182 . . 1 . . . . 7 PRO CB . 6981 1 54 . 1 1 7 7 PRO CG C 13 27.424 . . 1 . . . . 7 PRO CG . 6981 1 55 . 1 1 7 7 PRO CD C 13 51.015 . . 1 . . . . 7 PRO CD . 6981 1 56 . 1 1 8 8 LEU H H 1 8.262 . . 1 . . . . 8 LEU HN . 6981 1 57 . 1 1 8 8 LEU HA H 1 4.252 . . 1 . . . . 8 LEU HA . 6981 1 58 . 1 1 8 8 LEU HB2 H 1 1.576 . . 2 . . . . 8 LEU HB2 . 6981 1 59 . 1 1 8 8 LEU HB3 H 1 1.477 . . 2 . . . . 8 LEU HB3 . 6981 1 60 . 1 1 8 8 LEU C C 13 177.141 . . 1 . . . . 8 LEU C . 6981 1 61 . 1 1 8 8 LEU CA C 13 55.149 . . 1 . . . . 8 LEU CA . 6981 1 62 . 1 1 8 8 LEU CB C 13 42.174 . . 1 . . . . 8 LEU CB . 6981 1 63 . 1 1 8 8 LEU N N 15 122.435 . . 1 . . . . 8 LEU N . 6981 1 64 . 1 1 9 9 LEU H H 1 8.098 . . 1 . . . . 9 LEU HN . 6981 1 65 . 1 1 9 9 LEU HA H 1 4.288 . . 1 . . . . 9 LEU HA . 6981 1 66 . 1 1 9 9 LEU HB2 H 1 1.558 . . 2 . . . . 9 LEU HB2 . 6981 1 67 . 1 1 9 9 LEU HB3 H 1 1.523 . . 2 . . . . 9 LEU HB3 . 6981 1 68 . 1 1 9 9 LEU CA C 13 54.821 . . 1 . . . . 9 LEU CA . 6981 1 69 . 1 1 9 9 LEU CB C 13 42.233 . . 1 . . . . 9 LEU CB . 6981 1 70 . 1 1 9 9 LEU N N 15 123.034 . . 1 . . . . 9 LEU N . 6981 1 71 . 1 1 10 10 ALA H H 1 8.227 . . 1 . . . . 10 ALA HN . 6981 1 72 . 1 1 10 10 ALA HA H 1 4.206 . . 1 . . . . 10 ALA HA . 6981 1 73 . 1 1 10 10 ALA HB1 H 1 1.268 . . 1 . . . . 10 ALA QB . 6981 1 74 . 1 1 10 10 ALA HB2 H 1 1.268 . . 1 . . . . 10 ALA QB . 6981 1 75 . 1 1 10 10 ALA HB3 H 1 1.268 . . 1 . . . . 10 ALA QB . 6981 1 76 . 1 1 10 10 ALA C C 13 177.094 . . 1 . . . . 10 ALA C . 6981 1 77 . 1 1 10 10 ALA CA C 13 52.458 . . 1 . . . . 10 ALA CA . 6981 1 78 . 1 1 10 10 ALA CB C 13 19.057 . . 1 . . . . 10 ALA CB . 6981 1 79 . 1 1 10 10 ALA N N 15 124.316 . . 1 . . . . 10 ALA N . 6981 1 80 . 1 1 11 11 ASP H H 1 8.151 . . 1 . . . . 11 ASP HN . 6981 1 81 . 1 1 11 11 ASP HA H 1 4.445 . . 1 . . . . 11 ASP HA . 6981 1 82 . 1 1 11 11 ASP HB2 H 1 2.523 . . 2 . . . . 11 ASP HB2 . 6981 1 83 . 1 1 11 11 ASP HB3 H 1 2.589 . . 2 . . . . 11 ASP HB3 . 6981 1 84 . 1 1 11 11 ASP C C 13 176.163 . . 1 . . . . 11 ASP C . 6981 1 85 . 1 1 11 11 ASP CA C 13 54.493 . . 1 . . . . 11 ASP CA . 6981 1 86 . 1 1 11 11 ASP CB C 13 40.876 . . 1 . . . . 11 ASP CB . 6981 1 87 . 1 1 11 11 ASP N N 15 118.895 . . 1 . . . . 11 ASP N . 6981 1 88 . 1 1 12 12 TYR H H 1 7.883 . . 1 . . . . 12 TYR HN . 6981 1 89 . 1 1 12 12 TYR HA H 1 4.408 . . 1 . . . . 12 TYR HA . 6981 1 90 . 1 1 12 12 TYR HB2 H 1 2.816 . . 1 . . . . 12 TYR QB . 6981 1 91 . 1 1 12 12 TYR HB3 H 1 2.816 . . 1 . . . . 12 TYR QB . 6981 1 92 . 1 1 12 12 TYR C C 13 175.987 . . 1 . . . . 12 TYR C . 6981 1 93 . 1 1 12 12 TYR CA C 13 57.921 . . 1 . . . . 12 TYR CA . 6981 1 94 . 1 1 12 12 TYR CB C 13 38.500 . . 1 . . . . 12 TYR CB . 6981 1 95 . 1 1 12 12 TYR N N 15 119.541 . . 1 . . . . 12 TYR N . 6981 1 96 . 1 1 13 13 GLU H H 1 8.162 . . 1 . . . . 13 GLU HN . 6981 1 97 . 1 1 13 13 GLU HA H 1 4.162 . . 1 . . . . 13 GLU HA . 6981 1 98 . 1 1 13 13 GLU HB2 H 1 1.887 . . 1 . . . . 13 GLU QB . 6981 1 99 . 1 1 13 13 GLU HB3 H 1 1.887 . . 1 . . . . 13 GLU QB . 6981 1 100 . 1 1 13 13 GLU HG2 H 1 2.075 . . 1 . . . . 13 GLU QG . 6981 1 101 . 1 1 13 13 GLU HG3 H 1 2.075 . . 1 . . . . 13 GLU QG . 6981 1 102 . 1 1 13 13 GLU C C 13 176.302 . . 1 . . . . 13 GLU C . 6981 1 103 . 1 1 13 13 GLU CA C 13 56.790 . . 1 . . . . 13 GLU CA . 6981 1 104 . 1 1 13 13 GLU CB C 13 30.049 . . 1 . . . . 13 GLU CB . 6981 1 105 . 1 1 13 13 GLU CG C 13 36.360 . . 1 . . . . 13 GLU CG . 6981 1 106 . 1 1 13 13 GLU N N 15 122.248 . . 1 . . . . 13 GLU N . 6981 1 107 . 1 1 14 14 TRP H H 1 7.983 . . 1 . . . . 14 TRP HN . 6981 1 108 . 1 1 14 14 TRP HA H 1 4.606 . . 1 . . . . 14 TRP HA . 6981 1 109 . 1 1 14 14 TRP HE1 H 1 10.105 . . 2 . . . . 14 TRP HE1 . 6981 1 110 . 1 1 14 14 TRP C C 13 176.621 . . 1 . . . . 14 TRP C . 6981 1 111 . 1 1 14 14 TRP CA C 13 57.499 . . 1 . . . . 14 TRP CA . 6981 1 112 . 1 1 14 14 TRP CB C 13 29.437 . . 1 . . . . 14 TRP CB . 6981 1 113 . 1 1 14 14 TRP N N 15 121.613 . . 1 . . . . 14 TRP N . 6981 1 114 . 1 1 14 14 TRP NE1 N 15 129.648 . . 1 . . . . 14 TRP NE1 . 6981 1 115 . 1 1 15 15 SER H H 1 8.099 . . 1 . . . . 15 SER HN . 6981 1 116 . 1 1 15 15 SER HA H 1 4.188 . . 1 . . . . 15 SER HA . 6981 1 117 . 1 1 15 15 SER HB2 H 1 3.743 . . 2 . . . . 15 SER HB2 . 6981 1 118 . 1 1 15 15 SER HB3 H 1 3.650 . . 2 . . . . 15 SER HB3 . 6981 1 119 . 1 1 15 15 SER C C 13 175.227 . . 1 . . . . 15 SER C . 6981 1 120 . 1 1 15 15 SER CA C 13 59.242 . . 1 . . . . 15 SER CA . 6981 1 121 . 1 1 15 15 SER CB C 13 63.284 . . 1 . . . . 15 SER CB . 6981 1 122 . 1 1 15 15 SER N N 15 117.465 . . 1 . . . . 15 SER N . 6981 1 123 . 1 1 16 16 GLY H H 1 7.564 . . 1 . . . . 16 GLY HN . 6981 1 124 . 1 1 16 16 GLY HA2 H 1 3.642 . . 1 . . . . 16 GLY QA . 6981 1 125 . 1 1 16 16 GLY HA3 H 1 3.642 . . 1 . . . . 16 GLY QA . 6981 1 126 . 1 1 16 16 GLY C C 13 174.232 . . 1 . . . . 16 GLY C . 6981 1 127 . 1 1 16 16 GLY CA C 13 45.477 . . 1 . . . . 16 GLY CA . 6981 1 128 . 1 1 16 16 GLY N N 15 109.726 . . 1 . . . . 16 GLY N . 6981 1 129 . 1 1 17 17 TYR H H 1 7.812 . . 1 . . . . 17 TYR HN . 6981 1 130 . 1 1 17 17 TYR HA H 1 4.410 . . 1 . . . . 17 TYR HA . 6981 1 131 . 1 1 17 17 TYR C C 13 176.164 . . 1 . . . . 17 TYR C . 6981 1 132 . 1 1 17 17 TYR CA C 13 58.594 . . 1 . . . . 17 TYR CA . 6981 1 133 . 1 1 17 17 TYR N N 15 120.116 . . 1 . . . . 17 TYR N . 6981 1 134 . 1 1 18 18 LEU H H 1 8.070 . . 1 . . . . 18 LEU HN . 6981 1 135 . 1 1 18 18 LEU HA H 1 4.200 . . 1 . . . . 18 LEU HA . 6981 1 136 . 1 1 18 18 LEU C C 13 177.541 . . 1 . . . . 18 LEU C . 6981 1 137 . 1 1 18 18 LEU CA C 13 55.477 . . 1 . . . . 18 LEU CA . 6981 1 138 . 1 1 18 18 LEU N N 15 121.824 . . 1 . . . . 18 LEU N . 6981 1 139 . 1 1 19 19 THR H H 1 7.930 . . 1 . . . . 19 THR HN . 6981 1 140 . 1 1 19 19 THR HA H 1 4.227 . . 1 . . . . 19 THR HA . 6981 1 141 . 1 1 19 19 THR HB H 1 4.196 . . 1 . . . . 19 THR HB . 6981 1 142 . 1 1 19 19 THR HG21 H 1 1.168 . . 1 . . . . 19 THR QG2 . 6981 1 143 . 1 1 19 19 THR HG22 H 1 1.168 . . 1 . . . . 19 THR QG2 . 6981 1 144 . 1 1 19 19 THR HG23 H 1 1.168 . . 1 . . . . 19 THR QG2 . 6981 1 145 . 1 1 19 19 THR C C 13 175.274 . . 1 . . . . 19 THR C . 6981 1 146 . 1 1 19 19 THR CA C 13 62.337 . . 1 . . . . 19 THR CA . 6981 1 147 . 1 1 19 19 THR CB C 13 69.589 . . 1 . . . . 19 THR CB . 6981 1 148 . 1 1 19 19 THR CG2 C 13 21.518 . . 1 . . . . 19 THR CG2 . 6981 1 149 . 1 1 19 19 THR N N 15 112.947 . . 1 . . . . 19 THR N . 6981 1 150 . 1 1 20 20 GLY H H 1 8.198 . . 1 . . . . 20 GLY HN . 6981 1 151 . 1 1 20 20 GLY HA2 H 1 3.875 . . 1 . . . . 20 GLY QA . 6981 1 152 . 1 1 20 20 GLY HA3 H 1 3.875 . . 1 . . . . 20 GLY QA . 6981 1 153 . 1 1 20 20 GLY C C 13 174.263 . . 1 . . . . 20 GLY C . 6981 1 154 . 1 1 20 20 GLY CA C 13 45.464 . . 1 . . . . 20 GLY CA . 6981 1 155 . 1 1 20 20 GLY N N 15 110.490 . . 1 . . . . 20 GLY N . 6981 1 156 . 1 1 21 21 ILE H H 1 7.874 . . 1 . . . . 21 ILE HN . 6981 1 157 . 1 1 21 21 ILE HA H 1 4.146 . . 1 . . . . 21 ILE HA . 6981 1 158 . 1 1 21 21 ILE HB H 1 1.779 . . 1 . . . . 21 ILE HB . 6981 1 159 . 1 1 21 21 ILE C C 13 176.730 . . 1 . . . . 21 ILE C . 6981 1 160 . 1 1 21 21 ILE CA C 13 61.547 . . 1 . . . . 21 ILE CA . 6981 1 161 . 1 1 21 21 ILE CB C 13 38.580 . . 1 . . . . 21 ILE CB . 6981 1 162 . 1 1 21 21 ILE N N 15 119.435 . . 1 . . . . 21 ILE N . 6981 1 163 . 1 1 22 22 GLY H H 1 8.402 . . 1 . . . . 22 GLY HN . 6981 1 164 . 1 1 22 22 GLY HA2 H 1 3.879 . . 1 . . . . 22 GLY QA . 6981 1 165 . 1 1 22 22 GLY HA3 H 1 3.879 . . 1 . . . . 22 GLY QA . 6981 1 166 . 1 1 22 22 GLY C C 13 174.006 . . 1 . . . . 22 GLY C . 6981 1 167 . 1 1 22 22 GLY CA C 13 45.462 . . 1 . . . . 22 GLY CA . 6981 1 168 . 1 1 22 22 GLY N N 15 112.067 . . 1 . . . . 22 GLY N . 6981 1 169 . 1 1 23 23 ARG H H 1 8.013 . . 1 . . . . 23 ARG HN . 6981 1 170 . 1 1 23 23 ARG HA H 1 4.258 . . 1 . . . . 23 ARG HA . 6981 1 171 . 1 1 23 23 ARG HB2 H 1 1.761 . . 2 . . . . 23 ARG HB2 . 6981 1 172 . 1 1 23 23 ARG HB3 H 1 1.643 . . 2 . . . . 23 ARG HB3 . 6981 1 173 . 1 1 23 23 ARG HG2 H 1 1.521 . . 1 . . . . 23 ARG QG . 6981 1 174 . 1 1 23 23 ARG HG3 H 1 1.521 . . 1 . . . . 23 ARG QG . 6981 1 175 . 1 1 23 23 ARG HD2 H 1 3.083 . . 1 . . . . 23 ARG QD . 6981 1 176 . 1 1 23 23 ARG HD3 H 1 3.083 . . 1 . . . . 23 ARG QD . 6981 1 177 . 1 1 23 23 ARG HE H 1 3.084 . . 1 . . . . 23 ARG HE . 6981 1 178 . 1 1 23 23 ARG C C 13 175.828 . . 1 . . . . 23 ARG C . 6981 1 179 . 1 1 23 23 ARG CA C 13 55.970 . . 1 . . . . 23 ARG CA . 6981 1 180 . 1 1 23 23 ARG CB C 13 30.853 . . 1 . . . . 23 ARG CB . 6981 1 181 . 1 1 23 23 ARG CG C 13 26.825 . . 1 . . . . 23 ARG CG . 6981 1 182 . 1 1 23 23 ARG CD C 13 43.126 . . 1 . . . . 23 ARG CD . 6981 1 183 . 1 1 23 23 ARG N N 15 120.483 . . 1 . . . . 23 ARG N . 6981 1 184 . 1 1 24 24 ALA H H 1 8.287 . . 1 . . . . 24 ALA HN . 6981 1 185 . 1 1 24 24 ALA HA H 1 4.207 . . 1 . . . . 24 ALA HA . 6981 1 186 . 1 1 24 24 ALA HB1 H 1 1.249 . . 1 . . . . 24 ALA QB . 6981 1 187 . 1 1 24 24 ALA HB2 H 1 1.249 . . 1 . . . . 24 ALA QB . 6981 1 188 . 1 1 24 24 ALA HB3 H 1 1.249 . . 1 . . . . 24 ALA QB . 6981 1 189 . 1 1 24 24 ALA C C 13 177.656 . . 1 . . . . 24 ALA C . 6981 1 190 . 1 1 24 24 ALA CA C 13 52.688 . . 1 . . . . 24 ALA CA . 6981 1 191 . 1 1 24 24 ALA CB C 13 19.195 . . 1 . . . . 24 ALA CB . 6981 1 192 . 1 1 24 24 ALA N N 15 124.459 . . 1 . . . . 24 ALA N . 6981 1 193 . 1 1 25 25 PHE H H 1 8.159 . . 1 . . . . 25 PHE HN . 6981 1 194 . 1 1 25 25 PHE HA H 1 4.502 . . 1 . . . . 25 PHE HA . 6981 1 195 . 1 1 25 25 PHE HB2 H 1 3.095 . . 2 . . . . 25 PHE HB2 . 6981 1 196 . 1 1 25 25 PHE HB3 H 1 2.976 . . 2 . . . . 25 PHE HB3 . 6981 1 197 . 1 1 25 25 PHE C C 13 175.643 . . 1 . . . . 25 PHE C . 6981 1 198 . 1 1 25 25 PHE CA C 13 58.102 . . 1 . . . . 25 PHE CA . 6981 1 199 . 1 1 25 25 PHE CB C 13 39.380 . . 1 . . . . 25 PHE CB . 6981 1 200 . 1 1 25 25 PHE N N 15 119.032 . . 1 . . . . 25 PHE N . 6981 1 201 . 1 1 26 26 ASP H H 1 8.154 . . 1 . . . . 26 ASP HN . 6981 1 202 . 1 1 26 26 ASP HA H 1 4.509 . . 1 . . . . 26 ASP HA . 6981 1 203 . 1 1 26 26 ASP HB2 H 1 2.658 . . 1 . . . . 26 ASP QB . 6981 1 204 . 1 1 26 26 ASP HB3 H 1 2.658 . . 1 . . . . 26 ASP QB . 6981 1 205 . 1 1 26 26 ASP C C 13 176.303 . . 1 . . . . 26 ASP C . 6981 1 206 . 1 1 26 26 ASP CA C 13 54.744 . . 1 . . . . 26 ASP CA . 6981 1 207 . 1 1 26 26 ASP CB C 13 41.205 . . 1 . . . . 26 ASP CB . 6981 1 208 . 1 1 26 26 ASP N N 15 121.146 . . 1 . . . . 26 ASP N . 6981 1 209 . 1 1 27 27 ASP H H 1 8.253 . . 1 . . . . 27 ASP HN . 6981 1 210 . 1 1 27 27 ASP HA H 1 4.474 . . 1 . . . . 27 ASP HA . 6981 1 211 . 1 1 27 27 ASP HB2 H 1 2.669 . . 2 . . . . 27 ASP HB2 . 6981 1 212 . 1 1 27 27 ASP HB3 H 1 2.670 . . 1 . . . . 27 ASP QB . 6981 1 213 . 1 1 27 27 ASP C C 13 177.321 . . 1 . . . . 27 ASP C . 6981 1 214 . 1 1 27 27 ASP CA C 13 55.313 . . 1 . . . . 27 ASP CA . 6981 1 215 . 1 1 27 27 ASP CB C 13 40.874 . . 1 . . . . 27 ASP CB . 6981 1 216 . 1 1 27 27 ASP N N 15 121.013 . . 1 . . . . 27 ASP N . 6981 1 217 . 1 1 28 28 GLY H H 1 8.379 . . 1 . . . . 28 GLY HN . 6981 1 218 . 1 1 28 28 GLY HA2 H 1 3.869 . . 1 . . . . 28 GLY QA . 6981 1 219 . 1 1 28 28 GLY HA3 H 1 3.869 . . 1 . . . . 28 GLY QA . 6981 1 220 . 1 1 28 28 GLY C C 13 175.046 . . 1 . . . . 28 GLY C . 6981 1 221 . 1 1 28 28 GLY CA C 13 45.962 . . 1 . . . . 28 GLY CA . 6981 1 222 . 1 1 28 28 GLY N N 15 108.843 . . 1 . . . . 28 GLY N . 6981 1 223 . 1 1 29 29 VAL H H 1 7.879 . . 1 . . . . 29 VAL HN . 6981 1 224 . 1 1 29 29 VAL HA H 1 3.832 . . 1 . . . . 29 VAL HA . 6981 1 225 . 1 1 29 29 VAL HB H 1 2.028 . . 1 . . . . 29 VAL HB . 6981 1 226 . 1 1 29 29 VAL HG11 H 1 0.834 . . 1 . . . . 29 VAL QQG . 6981 1 227 . 1 1 29 29 VAL HG12 H 1 0.834 . . 1 . . . . 29 VAL QQG . 6981 1 228 . 1 1 29 29 VAL HG13 H 1 0.834 . . 1 . . . . 29 VAL QQG . 6981 1 229 . 1 1 29 29 VAL HG21 H 1 0.834 . . 1 . . . . 29 VAL QQG . 6981 1 230 . 1 1 29 29 VAL HG22 H 1 0.834 . . 1 . . . . 29 VAL QQG . 6981 1 231 . 1 1 29 29 VAL HG23 H 1 0.834 . . 1 . . . . 29 VAL QQG . 6981 1 232 . 1 1 29 29 VAL C C 13 176.532 . . 1 . . . . 29 VAL C . 6981 1 233 . 1 1 29 29 VAL CA C 13 63.625 . . 1 . . . . 29 VAL CA . 6981 1 234 . 1 1 29 29 VAL CB C 13 32.102 . . 1 . . . . 29 VAL CB . 6981 1 235 . 1 1 29 29 VAL CG1 C 13 21.648 . . 2 . . . . 29 VAL CG1 . 6981 1 236 . 1 1 29 29 VAL CG2 C 13 21.326 . . 2 . . . . 29 VAL CG2 . 6981 1 237 . 1 1 29 29 VAL N N 15 120.147 . . 1 . . . . 29 VAL N . 6981 1 238 . 1 1 30 30 LYS H H 1 8.131 . . 1 . . . . 30 LYS HN . 6981 1 239 . 1 1 30 30 LYS HA H 1 4.118 . . 1 . . . . 30 LYS HA . 6981 1 240 . 1 1 30 30 LYS HB2 H 1 1.770 . . 1 . . . . 30 LYS QB . 6981 1 241 . 1 1 30 30 LYS HB3 H 1 1.770 . . 1 . . . . 30 LYS QB . 6981 1 242 . 1 1 30 30 LYS HG2 H 1 1.331 . . 1 . . . . 30 LYS QG . 6981 1 243 . 1 1 30 30 LYS HG3 H 1 1.331 . . 1 . . . . 30 LYS QG . 6981 1 244 . 1 1 30 30 LYS HD2 H 1 1.622 . . 1 . . . . 30 LYS QD . 6981 1 245 . 1 1 30 30 LYS HD3 H 1 1.622 . . 1 . . . . 30 LYS QD . 6981 1 246 . 1 1 30 30 LYS HE2 H 1 2.919 . . 1 . . . . 30 LYS QE . 6981 1 247 . 1 1 30 30 LYS HE3 H 1 2.919 . . 1 . . . . 30 LYS QE . 6981 1 248 . 1 1 30 30 LYS C C 13 177.097 . . 1 . . . . 30 LYS C . 6981 1 249 . 1 1 30 30 LYS CA C 13 57.774 . . 1 . . . . 30 LYS CA . 6981 1 250 . 1 1 30 30 LYS CB C 13 32.692 . . 1 . . . . 30 LYS CB . 6981 1 251 . 1 1 30 30 LYS CG C 13 24.963 . . 1 . . . . 30 LYS CG . 6981 1 252 . 1 1 30 30 LYS CE C 13 52.196 . . 1 . . . . 30 LYS CE . 6981 1 253 . 1 1 30 30 LYS N N 15 123.325 . . 1 . . . . 30 LYS N . 6981 1 254 . 1 1 31 31 ASP H H 1 8.195 . . 1 . . . . 31 ASP HN . 6981 1 255 . 1 1 31 31 ASP HA H 1 4.536 . . 1 . . . . 31 ASP HA . 6981 1 256 . 1 1 31 31 ASP HB2 H 1 2.715 . . 2 . . . . 31 ASP HB2 . 6981 1 257 . 1 1 31 31 ASP HB3 H 1 2.592 . . 2 . . . . 31 ASP HB3 . 6981 1 258 . 1 1 31 31 ASP C C 13 177.204 . . 1 . . . . 31 ASP C . 6981 1 259 . 1 1 31 31 ASP CA C 13 54.985 . . 1 . . . . 31 ASP CA . 6981 1 260 . 1 1 31 31 ASP CB C 13 41.041 . . 1 . . . . 31 ASP CB . 6981 1 261 . 1 1 31 31 ASP N N 15 121.333 . . 1 . . . . 31 ASP N . 6981 1 262 . 1 1 32 32 LEU H H 1 8.148 . . 1 . . . . 32 LEU HN . 6981 1 263 . 1 1 32 32 LEU HA H 1 4.004 . . 1 . . . . 32 LEU HA . 6981 1 264 . 1 1 32 32 LEU HB2 H 1 1.596 . . 2 . . . . 32 LEU HB2 . 6981 1 265 . 1 1 32 32 LEU HB3 H 1 1.413 . . 2 . . . . 32 LEU HB3 . 6981 1 266 . 1 1 32 32 LEU HG H 1 1.538 . . 1 . . . . 32 LEU HG . 6981 1 267 . 1 1 32 32 LEU HD11 H 1 0.722 . . 2 . . . . 32 LEU QD1 . 6981 1 268 . 1 1 32 32 LEU HD12 H 1 0.722 . . 2 . . . . 32 LEU QD1 . 6981 1 269 . 1 1 32 32 LEU HD13 H 1 0.722 . . 2 . . . . 32 LEU QD1 . 6981 1 270 . 1 1 32 32 LEU HD21 H 1 0.698 . . 1 . . . . 32 LEU QQD . 6981 1 271 . 1 1 32 32 LEU HD22 H 1 0.698 . . 1 . . . . 32 LEU QQD . 6981 1 272 . 1 1 32 32 LEU HD23 H 1 0.698 . . 1 . . . . 32 LEU QQD . 6981 1 273 . 1 1 32 32 LEU C C 13 178.239 . . 1 . . . . 32 LEU C . 6981 1 274 . 1 1 32 32 LEU CA C 13 57.610 . . 1 . . . . 32 LEU CA . 6981 1 275 . 1 1 32 32 LEU CB C 13 42.225 . . 1 . . . . 32 LEU CB . 6981 1 276 . 1 1 32 32 LEU CD1 C 13 25.016 . . 2 . . . . 32 LEU CD1 . 6981 1 277 . 1 1 32 32 LEU N N 15 123.234 . . 1 . . . . 32 LEU N . 6981 1 278 . 1 1 33 33 ASN H H 1 8.340 . . 1 . . . . 33 ASN HN . 6981 1 279 . 1 1 33 33 ASN HA H 1 4.269 . . 1 . . . . 33 ASN HA . 6981 1 280 . 1 1 33 33 ASN HB2 H 1 2.741 . . 2 . . . . 33 ASN HB2 . 6981 1 281 . 1 1 33 33 ASN HB3 H 1 2.862 . . 2 . . . . 33 ASN HB3 . 6981 1 282 . 1 1 33 33 ASN HD21 H 1 7.652 . . 2 . . . . 33 ASN HD21 . 6981 1 283 . 1 1 33 33 ASN HD22 H 1 6.900 . . 2 . . . . 33 ASN HD22 . 6981 1 284 . 1 1 33 33 ASN C C 13 177.361 . . 1 . . . . 33 ASN C . 6981 1 285 . 1 1 33 33 ASN CA C 13 56.462 . . 1 . . . . 33 ASN CA . 6981 1 286 . 1 1 33 33 ASN CB C 13 38.301 . . 1 . . . . 33 ASN CB . 6981 1 287 . 1 1 33 33 ASN N N 15 116.975 . . 1 . . . . 33 ASN N . 6981 1 288 . 1 1 33 33 ASN ND2 N 15 112.856 . . 1 . . . . 33 ASN ND2 . 6981 1 289 . 1 1 34 34 LYS H H 1 7.835 . . 1 . . . . 34 LYS HN . 6981 1 290 . 1 1 34 34 LYS HA H 1 4.030 . . 1 . . . . 34 LYS HA . 6981 1 291 . 1 1 34 34 LYS HB2 H 1 1.912 . . 2 . . . . 34 LYS HB2 . 6981 1 292 . 1 1 34 34 LYS HB3 H 1 1.933 . . 2 . . . . 34 LYS HB3 . 6981 1 293 . 1 1 34 34 LYS HG2 H 1 1.430 . . 2 . . . . 34 LYS HG2 . 6981 1 294 . 1 1 34 34 LYS HG3 H 1 1.458 . . 2 . . . . 34 LYS HG3 . 6981 1 295 . 1 1 34 34 LYS HD2 H 1 1.914 . . 2 . . . . 34 LYS HD2 . 6981 1 296 . 1 1 34 34 LYS HD3 H 1 1.707 . . 2 . . . . 34 LYS HD3 . 6981 1 297 . 1 1 34 34 LYS HE2 H 1 2.724 . . 1 . . . . 34 LYS QE . 6981 1 298 . 1 1 34 34 LYS HE3 H 1 2.724 . . 1 . . . . 34 LYS QE . 6981 1 299 . 1 1 34 34 LYS C C 13 178.331 . . 1 . . . . 34 LYS C . 6981 1 300 . 1 1 34 34 LYS CA C 13 58.923 . . 1 . . . . 34 LYS CA . 6981 1 301 . 1 1 34 34 LYS CB C 13 32.024 . . 1 . . . . 34 LYS CB . 6981 1 302 . 1 1 34 34 LYS CG C 13 24.946 . . 1 . . . . 34 LYS CG . 6981 1 303 . 1 1 34 34 LYS CD C 13 28.572 . . 1 . . . . 34 LYS CD . 6981 1 304 . 1 1 34 34 LYS CE C 13 42.012 . . 1 . . . . 34 LYS CE . 6981 1 305 . 1 1 34 34 LYS N N 15 121.428 . . 1 . . . . 34 LYS N . 6981 1 306 . 1 1 35 35 GLN H H 1 8.130 . . 1 . . . . 35 GLN HN . 6981 1 307 . 1 1 35 35 GLN HA H 1 4.072 . . 1 . . . . 35 GLN HA . 6981 1 308 . 1 1 35 35 GLN HB2 H 1 2.128 . . 1 . . . . 35 GLN QB . 6981 1 309 . 1 1 35 35 GLN HB3 H 1 2.128 . . 1 . . . . 35 GLN QB . 6981 1 310 . 1 1 35 35 GLN HG2 H 1 2.322 . . 2 . . . . 35 GLN HG2 . 6981 1 311 . 1 1 35 35 GLN HG3 H 1 2.518 . . 2 . . . . 35 GLN HG3 . 6981 1 312 . 1 1 35 35 GLN HE21 H 1 7.300 . . 2 . . . . 35 GLN HE21 . 6981 1 313 . 1 1 35 35 GLN HE22 H 1 6.781 . . 2 . . . . 35 GLN HE22 . 6981 1 314 . 1 1 35 35 GLN C C 13 179.586 . . 1 . . . . 35 GLN C . 6981 1 315 . 1 1 35 35 GLN CA C 13 59.011 . . 1 . . . . 35 GLN CA . 6981 1 316 . 1 1 35 35 GLN CB C 13 28.901 . . 1 . . . . 35 GLN CB . 6981 1 317 . 1 1 35 35 GLN CG C 13 34.478 . . 1 . . . . 35 GLN CG . 6981 1 318 . 1 1 35 35 GLN N N 15 118.089 . . 1 . . . . 35 GLN N . 6981 1 319 . 1 1 35 35 GLN NE2 N 15 110.986 . . 1 . . . . 35 GLN NE2 . 6981 1 320 . 1 1 36 36 LEU H H 1 8.475 . . 1 . . . . 36 LEU HN . 6981 1 321 . 1 1 36 36 LEU HA H 1 3.997 . . 1 . . . . 36 LEU HA . 6981 1 322 . 1 1 36 36 LEU HB2 H 1 1.397 . . 2 . . . . 36 LEU HB2 . 6981 1 323 . 1 1 36 36 LEU HB3 H 1 1.772 . . 2 . . . . 36 LEU HB3 . 6981 1 324 . 1 1 36 36 LEU HG H 1 1.469 . . 1 . . . . 36 LEU HG . 6981 1 325 . 1 1 36 36 LEU HD11 H 1 0.625 . . 2 . . . . 36 LEU QD1 . 6981 1 326 . 1 1 36 36 LEU HD12 H 1 0.625 . . 2 . . . . 36 LEU QD1 . 6981 1 327 . 1 1 36 36 LEU HD13 H 1 0.625 . . 2 . . . . 36 LEU QD1 . 6981 1 328 . 1 1 36 36 LEU HD21 H 1 0.450 . . 2 . . . . 36 LEU QD2 . 6981 1 329 . 1 1 36 36 LEU HD22 H 1 0.450 . . 2 . . . . 36 LEU QD2 . 6981 1 330 . 1 1 36 36 LEU HD23 H 1 0.450 . . 2 . . . . 36 LEU QD2 . 6981 1 331 . 1 1 36 36 LEU C C 13 178.186 . . 1 . . . . 36 LEU C . 6981 1 332 . 1 1 36 36 LEU CA C 13 58.128 . . 1 . . . . 36 LEU CA . 6981 1 333 . 1 1 36 36 LEU CB C 13 41.533 . . 1 . . . . 36 LEU CB . 6981 1 334 . 1 1 36 36 LEU CG C 13 26.768 . . 1 . . . . 36 LEU CG . 6981 1 335 . 1 1 36 36 LEU CD1 C 13 24.085 . . 2 . . . . 36 LEU CD1 . 6981 1 336 . 1 1 36 36 LEU CD2 C 13 24.994 . . 2 . . . . 36 LEU CD2 . 6981 1 337 . 1 1 36 36 LEU N N 15 122.236 . . 1 . . . . 36 LEU N . 6981 1 338 . 1 1 37 37 GLN H H 1 8.129 . . 1 . . . . 37 GLN HN . 6981 1 339 . 1 1 37 37 GLN HA H 1 4.050 . . 1 . . . . 37 GLN HA . 6981 1 340 . 1 1 37 37 GLN HB2 H 1 2.149 . . 2 . . . . 37 GLN HB2 . 6981 1 341 . 1 1 37 37 GLN HB3 H 1 2.201 . . 2 . . . . 37 GLN HB3 . 6981 1 342 . 1 1 37 37 GLN HG2 H 1 2.438 . . 2 . . . . 37 GLN HG2 . 6981 1 343 . 1 1 37 37 GLN HG3 H 1 2.447 . . 2 . . . . 37 GLN HG3 . 6981 1 344 . 1 1 37 37 GLN HE21 H 1 7.374 . . 2 . . . . 37 GLN HE21 . 6981 1 345 . 1 1 37 37 GLN HE22 H 1 6.798 . . 2 . . . . 37 GLN HE22 . 6981 1 346 . 1 1 37 37 GLN C C 13 179.583 . . 1 . . . . 37 GLN C . 6981 1 347 . 1 1 37 37 GLN CA C 13 58.923 . . 1 . . . . 37 GLN CA . 6981 1 348 . 1 1 37 37 GLN CB C 13 28.244 . . 1 . . . . 37 GLN CB . 6981 1 349 . 1 1 37 37 GLN CG C 13 33.985 . . 1 . . . . 37 GLN CG . 6981 1 350 . 1 1 37 37 GLN N N 15 119.626 . . 1 . . . . 37 GLN N . 6981 1 351 . 1 1 37 37 GLN NE2 N 15 111.562 . . 1 . . . . 37 GLN NE2 . 6981 1 352 . 1 1 38 38 ASP H H 1 8.536 . . 1 . . . . 38 ASP HN . 6981 1 353 . 1 1 38 38 ASP HA H 1 4.429 . . 1 . . . . 38 ASP HA . 6981 1 354 . 1 1 38 38 ASP HB2 H 1 2.629 . . 2 . . . . 38 ASP HB2 . 6981 1 355 . 1 1 38 38 ASP HB3 H 1 2.748 . . 2 . . . . 38 ASP HB3 . 6981 1 356 . 1 1 38 38 ASP C C 13 178.473 . . 1 . . . . 38 ASP C . 6981 1 357 . 1 1 38 38 ASP CA C 13 57.066 . . 1 . . . . 38 ASP CA . 6981 1 358 . 1 1 38 38 ASP CB C 13 40.056 . . 1 . . . . 38 ASP CB . 6981 1 359 . 1 1 38 38 ASP N N 15 121.204 . . 1 . . . . 38 ASP N . 6981 1 360 . 1 1 39 39 ALA H H 1 8.329 . . 1 . . . . 39 ALA HN . 6981 1 361 . 1 1 39 39 ALA HA H 1 4.240 . . 1 . . . . 39 ALA HA . 6981 1 362 . 1 1 39 39 ALA HB1 H 1 1.644 . . 1 . . . . 39 ALA QB . 6981 1 363 . 1 1 39 39 ALA HB2 H 1 1.644 . . 1 . . . . 39 ALA QB . 6981 1 364 . 1 1 39 39 ALA HB3 H 1 1.644 . . 1 . . . . 39 ALA QB . 6981 1 365 . 1 1 39 39 ALA C C 13 181.246 . . 1 . . . . 39 ALA C . 6981 1 366 . 1 1 39 39 ALA CA C 13 54.811 . . 1 . . . . 39 ALA CA . 6981 1 367 . 1 1 39 39 ALA CB C 13 18.565 . . 1 . . . . 39 ALA CB . 6981 1 368 . 1 1 39 39 ALA N N 15 123.277 . . 1 . . . . 39 ALA N . 6981 1 369 . 1 1 40 40 GLN H H 1 8.924 . . 1 . . . . 40 GLN HN . 6981 1 370 . 1 1 40 40 GLN HA H 1 3.792 . . 1 . . . . 40 GLN HA . 6981 1 371 . 1 1 40 40 GLN HB2 H 1 2.172 . . 2 . . . . 40 GLN HB2 . 6981 1 372 . 1 1 40 40 GLN HB3 H 1 2.276 . . 2 . . . . 40 GLN HB3 . 6981 1 373 . 1 1 40 40 GLN HG2 H 1 2.231 . . 2 . . . . 40 GLN HG2 . 6981 1 374 . 1 1 40 40 GLN HG3 H 1 2.324 . . 2 . . . . 40 GLN HG3 . 6981 1 375 . 1 1 40 40 GLN HE21 H 1 7.209 . . 2 . . . . 40 GLN HE21 . 6981 1 376 . 1 1 40 40 GLN HE22 H 1 6.722 . . 2 . . . . 40 GLN HE22 . 6981 1 377 . 1 1 40 40 GLN C C 13 178.094 . . 1 . . . . 40 GLN C . 6981 1 378 . 1 1 40 40 GLN CA C 13 58.923 . . 1 . . . . 40 GLN CA . 6981 1 379 . 1 1 40 40 GLN CB C 13 28.574 . . 1 . . . . 40 GLN CB . 6981 1 380 . 1 1 40 40 GLN CG C 13 34.132 . . 1 . . . . 40 GLN CG . 6981 1 381 . 1 1 40 40 GLN N N 15 120.607 . . 1 . . . . 40 GLN N . 6981 1 382 . 1 1 41 41 ALA H H 1 8.246 . . 1 . . . . 41 ALA HN . 6981 1 383 . 1 1 41 41 ALA HA H 1 4.118 . . 1 . . . . 41 ALA HA . 6981 1 384 . 1 1 41 41 ALA HB1 H 1 1.527 . . 1 . . . . 41 ALA QB . 6981 1 385 . 1 1 41 41 ALA HB2 H 1 1.527 . . 1 . . . . 41 ALA QB . 6981 1 386 . 1 1 41 41 ALA HB3 H 1 1.527 . . 1 . . . . 41 ALA QB . 6981 1 387 . 1 1 41 41 ALA C C 13 180.426 . . 1 . . . . 41 ALA C . 6981 1 388 . 1 1 41 41 ALA CA C 13 55.149 . . 1 . . . . 41 ALA CA . 6981 1 389 . 1 1 41 41 ALA CB C 13 17.745 . . 1 . . . . 41 ALA CB . 6981 1 390 . 1 1 41 41 ALA N N 15 123.540 . . 1 . . . . 41 ALA N . 6981 1 391 . 1 1 42 42 ASN H H 1 8.091 . . 1 . . . . 42 ASN HN . 6981 1 392 . 1 1 42 42 ASN HA H 1 4.438 . . 1 . . . . 42 ASN HA . 6981 1 393 . 1 1 42 42 ASN HB2 H 1 2.864 . . 2 . . . . 42 ASN HB2 . 6981 1 394 . 1 1 42 42 ASN HB3 H 1 2.787 . . 2 . . . . 42 ASN HB3 . 6981 1 395 . 1 1 42 42 ASN HD21 H 1 7.639 . . 2 . . . . 42 ASN HD21 . 6981 1 396 . 1 1 42 42 ASN HD22 H 1 7.119 . . 2 . . . . 42 ASN HD22 . 6981 1 397 . 1 1 42 42 ASN C C 13 177.193 . . 1 . . . . 42 ASN C . 6981 1 398 . 1 1 42 42 ASN CA C 13 55.860 . . 1 . . . . 42 ASN CA . 6981 1 399 . 1 1 42 42 ASN CB C 13 38.460 . . 1 . . . . 42 ASN CB . 6981 1 400 . 1 1 42 42 ASN N N 15 116.590 . . 1 . . . . 42 ASN N . 6981 1 401 . 1 1 42 42 ASN ND2 N 15 113.425 . . 1 . . . . 42 ASN ND2 . 6981 1 402 . 1 1 43 43 LEU H H 1 7.779 . . 1 . . . . 43 LEU HN . 6981 1 403 . 1 1 43 43 LEU HA H 1 4.019 . . 1 . . . . 43 LEU HA . 6981 1 404 . 1 1 43 43 LEU HB2 H 1 1.698 . . 2 . . . . 43 LEU HB2 . 6981 1 405 . 1 1 43 43 LEU HB3 H 1 1.259 . . 2 . . . . 43 LEU HB3 . 6981 1 406 . 1 1 43 43 LEU HG H 1 1.428 . . 1 . . . . 43 LEU HG . 6981 1 407 . 1 1 43 43 LEU HD11 H 1 0.721 . . 2 . . . . 43 LEU QD1 . 6981 1 408 . 1 1 43 43 LEU HD12 H 1 0.721 . . 2 . . . . 43 LEU QD1 . 6981 1 409 . 1 1 43 43 LEU HD13 H 1 0.721 . . 2 . . . . 43 LEU QD1 . 6981 1 410 . 1 1 43 43 LEU HD21 H 1 0.504 . . 2 . . . . 43 LEU QD2 . 6981 1 411 . 1 1 43 43 LEU HD22 H 1 0.504 . . 2 . . . . 43 LEU QD2 . 6981 1 412 . 1 1 43 43 LEU HD23 H 1 0.504 . . 2 . . . . 43 LEU QD2 . 6981 1 413 . 1 1 43 43 LEU C C 13 177.820 . . 1 . . . . 43 LEU C . 6981 1 414 . 1 1 43 43 LEU CA C 13 57.061 . . 1 . . . . 43 LEU CA . 6981 1 415 . 1 1 43 43 LEU CB C 13 42.025 . . 1 . . . . 43 LEU CB . 6981 1 416 . 1 1 43 43 LEU CG C 13 26.796 . . 1 . . . . 43 LEU CG . 6981 1 417 . 1 1 43 43 LEU CD1 C 13 23.984 . . 2 . . . . 43 LEU CD1 . 6981 1 418 . 1 1 43 43 LEU CD2 C 13 25.290 . . 2 . . . . 43 LEU CD2 . 6981 1 419 . 1 1 43 43 LEU N N 15 121.122 . . 1 . . . . 43 LEU N . 6981 1 420 . 1 1 44 44 THR H H 1 8.081 . . 1 . . . . 44 THR HN . 6981 1 421 . 1 1 44 44 THR HA H 1 3.812 . . 1 . . . . 44 THR HA . 6981 1 422 . 1 1 44 44 THR HB H 1 4.189 . . 1 . . . . 44 THR HB . 6981 1 423 . 1 1 44 44 THR HG21 H 1 1.186 . . 1 . . . . 44 THR QG2 . 6981 1 424 . 1 1 44 44 THR HG22 H 1 1.186 . . 1 . . . . 44 THR QG2 . 6981 1 425 . 1 1 44 44 THR HG23 H 1 1.186 . . 1 . . . . 44 THR QG2 . 6981 1 426 . 1 1 44 44 THR C C 13 175.917 . . 1 . . . . 44 THR C . 6981 1 427 . 1 1 44 44 THR CA C 13 65.682 . . 1 . . . . 44 THR CA . 6981 1 428 . 1 1 44 44 THR CB C 13 68.775 . . 1 . . . . 44 THR CB . 6981 1 429 . 1 1 44 44 THR CG2 C 13 21.635 . . 1 . . . . 44 THR CG2 . 6981 1 430 . 1 1 44 44 THR N N 15 113.765 . . 1 . . . . 44 THR N . 6981 1 431 . 1 1 45 45 LYS H H 1 7.397 . . 1 . . . . 45 LYS HN . 6981 1 432 . 1 1 45 45 LYS HA H 1 4.092 . . 1 . . . . 45 LYS HA . 6981 1 433 . 1 1 45 45 LYS HB2 H 1 1.867 . . 2 . . . . 45 LYS HB2 . 6981 1 434 . 1 1 45 45 LYS HB3 H 1 1.816 . . 2 . . . . 45 LYS HB3 . 6981 1 435 . 1 1 45 45 LYS HG2 H 1 1.461 . . 1 . . . . 45 LYS QG . 6981 1 436 . 1 1 45 45 LYS HG3 H 1 1.461 . . 1 . . . . 45 LYS QG . 6981 1 437 . 1 1 45 45 LYS HD2 H 1 1.625 . . 1 . . . . 45 LYS QD . 6981 1 438 . 1 1 45 45 LYS HD3 H 1 1.625 . . 1 . . . . 45 LYS QD . 6981 1 439 . 1 1 45 45 LYS HE2 H 1 2.949 . . 1 . . . . 45 LYS QE . 6981 1 440 . 1 1 45 45 LYS HE3 H 1 2.949 . . 1 . . . . 45 LYS QE . 6981 1 441 . 1 1 45 45 LYS C C 13 176.304 . . 1 . . . . 45 LYS C . 6981 1 442 . 1 1 45 45 LYS CA C 13 57.938 . . 1 . . . . 45 LYS CA . 6981 1 443 . 1 1 45 45 LYS CB C 13 33.341 . . 1 . . . . 45 LYS CB . 6981 1 444 . 1 1 45 45 LYS CG C 13 24.963 . . 1 . . . . 45 LYS CG . 6981 1 445 . 1 1 45 45 LYS CD C 13 29.073 . . 1 . . . . 45 LYS CD . 6981 1 446 . 1 1 45 45 LYS CE C 13 41.925 . . 1 . . . . 45 LYS CE . 6981 1 447 . 1 1 45 45 LYS N N 15 118.948 . . 1 . . . . 45 LYS N . 6981 1 448 . 1 1 46 46 ASN H H 1 7.532 . . 1 . . . . 46 ASN HN . 6981 1 449 . 1 1 46 46 ASN HA H 1 5.095 . . 1 . . . . 46 ASN HA . 6981 1 450 . 1 1 46 46 ASN HB2 H 1 2.736 . . 2 . . . . 46 ASN HB2 . 6981 1 451 . 1 1 46 46 ASN HB3 H 1 2.694 . . 2 . . . . 46 ASN HB3 . 6981 1 452 . 1 1 46 46 ASN HD21 H 1 7.605 . . 2 . . . . 46 ASN HD21 . 6981 1 453 . 1 1 46 46 ASN HD22 H 1 6.965 . . 2 . . . . 46 ASN HD22 . 6981 1 454 . 1 1 46 46 ASN CA C 13 51.189 . . 1 . . . . 46 ASN CA . 6981 1 455 . 1 1 46 46 ASN CB C 13 39.564 . . 1 . . . . 46 ASN CB . 6981 1 456 . 1 1 46 46 ASN N N 15 115.749 . . 1 . . . . 46 ASN N . 6981 1 457 . 1 1 46 46 ASN ND2 N 15 114.553 . . 1 . . . . 46 ASN ND2 . 6981 1 458 . 1 1 47 47 PRO HA H 1 4.523 . . 1 . . . . 47 PRO HA . 6981 1 459 . 1 1 47 47 PRO HB2 H 1 2.259 . . 2 . . . . 47 PRO HB2 . 6981 1 460 . 1 1 47 47 PRO HB3 H 1 1.910 . . 2 . . . . 47 PRO HB3 . 6981 1 461 . 1 1 47 47 PRO HG2 H 1 1.993 . . 2 . . . . 47 PRO HG2 . 6981 1 462 . 1 1 47 47 PRO HG3 H 1 1.913 . . 2 . . . . 47 PRO HG3 . 6981 1 463 . 1 1 47 47 PRO HD2 H 1 3.617 . . 2 . . . . 47 PRO HD2 . 6981 1 464 . 1 1 47 47 PRO HD3 H 1 3.465 . . 2 . . . . 47 PRO HD3 . 6981 1 465 . 1 1 47 47 PRO C C 13 177.703 . . 1 . . . . 47 PRO C . 6981 1 466 . 1 1 47 47 PRO CA C 13 64.826 . . 1 . . . . 47 PRO CA . 6981 1 467 . 1 1 47 47 PRO CB C 13 32.107 . . 1 . . . . 47 PRO CB . 6981 1 468 . 1 1 47 47 PRO CG C 13 27.260 . . 1 . . . . 47 PRO CG . 6981 1 469 . 1 1 47 47 PRO CD C 13 50.221 . . 1 . . . . 47 PRO CD . 6981 1 470 . 1 1 48 48 SER H H 1 8.110 . . 1 . . . . 48 SER HN . 6981 1 471 . 1 1 48 48 SER HA H 1 4.545 . . 1 . . . . 48 SER HA . 6981 1 472 . 1 1 48 48 SER HB2 H 1 3.936 . . 2 . . . . 48 SER HB2 . 6981 1 473 . 1 1 48 48 SER HB3 H 1 3.865 . . 2 . . . . 48 SER HB3 . 6981 1 474 . 1 1 48 48 SER C C 13 174.101 . . 1 . . . . 48 SER C . 6981 1 475 . 1 1 48 48 SER CA C 13 57.268 . . 1 . . . . 48 SER CA . 6981 1 476 . 1 1 48 48 SER CB C 13 63.631 . . 1 . . . . 48 SER CB . 6981 1 477 . 1 1 48 48 SER N N 15 112.044 . . 1 . . . . 48 SER N . 6981 1 478 . 1 1 49 49 ASP H H 1 7.562 . . 1 . . . . 49 ASP HN . 6981 1 479 . 1 1 49 49 ASP HA H 1 4.843 . . 1 . . . . 49 ASP HA . 6981 1 480 . 1 1 49 49 ASP HB2 H 1 2.983 . . 2 . . . . 49 ASP HB2 . 6981 1 481 . 1 1 49 49 ASP HB3 H 1 2.628 . . 2 . . . . 49 ASP HB3 . 6981 1 482 . 1 1 49 49 ASP CA C 13 51.704 . . 1 . . . . 49 ASP CA . 6981 1 483 . 1 1 49 49 ASP CB C 13 42.736 . . 1 . . . . 49 ASP CB . 6981 1 484 . 1 1 49 49 ASP N N 15 124.661 . . 1 . . . . 49 ASP N . 6981 1 485 . 1 1 50 50 PRO HA H 1 4.301 . . 1 . . . . 50 PRO HA . 6981 1 486 . 1 1 50 50 PRO HB2 H 1 2.019 . . 2 . . . . 50 PRO HB2 . 6981 1 487 . 1 1 50 50 PRO HB3 H 1 2.380 . . 2 . . . . 50 PRO HB3 . 6981 1 488 . 1 1 50 50 PRO HG2 H 1 2.131 . . 2 . . . . 50 PRO HG2 . 6981 1 489 . 1 1 50 50 PRO HG3 H 1 2.070 . . 2 . . . . 50 PRO HG3 . 6981 1 490 . 1 1 50 50 PRO HD2 H 1 4.265 . . 2 . . . . 50 PRO HD2 . 6981 1 491 . 1 1 50 50 PRO HD3 H 1 3.948 . . 2 . . . . 50 PRO HD3 . 6981 1 492 . 1 1 50 50 PRO C C 13 179.632 . . 1 . . . . 50 PRO C . 6981 1 493 . 1 1 50 50 PRO CA C 13 64.997 . . 1 . . . . 50 PRO CA . 6981 1 494 . 1 1 50 50 PRO CB C 13 32.296 . . 1 . . . . 50 PRO CB . 6981 1 495 . 1 1 50 50 PRO CG C 13 27.432 . . 1 . . . . 50 PRO CG . 6981 1 496 . 1 1 50 50 PRO CD C 13 51.350 . . 1 . . . . 50 PRO CD . 6981 1 497 . 1 1 51 51 THR H H 1 8.128 . . 1 . . . . 51 THR HN . 6981 1 498 . 1 1 51 51 THR HA H 1 4.052 . . 1 . . . . 51 THR HA . 6981 1 499 . 1 1 51 51 THR HB H 1 4.312 . . 1 . . . . 51 THR HB . 6981 1 500 . 1 1 51 51 THR HG21 H 1 1.219 . . 1 . . . . 51 THR QG2 . 6981 1 501 . 1 1 51 51 THR HG22 H 1 1.219 . . 1 . . . . 51 THR QG2 . 6981 1 502 . 1 1 51 51 THR HG23 H 1 1.219 . . 1 . . . . 51 THR QG2 . 6981 1 503 . 1 1 51 51 THR C C 13 175.884 . . 1 . . . . 51 THR C . 6981 1 504 . 1 1 51 51 THR CA C 13 65.692 . . 1 . . . . 51 THR CA . 6981 1 505 . 1 1 51 51 THR CB C 13 67.945 . . 1 . . . . 51 THR CB . 6981 1 506 . 1 1 51 51 THR CG2 C 13 21.828 . . 1 . . . . 51 THR CG2 . 6981 1 507 . 1 1 51 51 THR N N 15 116.518 . . 1 . . . . 51 THR N . 6981 1 508 . 1 1 52 52 ALA H H 1 8.096 . . 1 . . . . 52 ALA HN . 6981 1 509 . 1 1 52 52 ALA HA H 1 4.109 . . 1 . . . . 52 ALA HA . 6981 1 510 . 1 1 52 52 ALA HB1 H 1 1.488 . . 1 . . . . 52 ALA QB . 6981 1 511 . 1 1 52 52 ALA HB2 H 1 1.488 . . 1 . . . . 52 ALA QB . 6981 1 512 . 1 1 52 52 ALA HB3 H 1 1.488 . . 1 . . . . 52 ALA QB . 6981 1 513 . 1 1 52 52 ALA C C 13 181.321 . . 1 . . . . 52 ALA C . 6981 1 514 . 1 1 52 52 ALA CA C 13 54.874 . . 1 . . . . 52 ALA CA . 6981 1 515 . 1 1 52 52 ALA CB C 13 18.237 . . 1 . . . . 52 ALA CB . 6981 1 516 . 1 1 52 52 ALA N N 15 126.167 . . 1 . . . . 52 ALA N . 6981 1 517 . 1 1 53 53 LEU H H 1 7.967 . . 1 . . . . 53 LEU HN . 6981 1 518 . 1 1 53 53 LEU HA H 1 4.155 . . 1 . . . . 53 LEU HA . 6981 1 519 . 1 1 53 53 LEU HB2 H 1 1.682 . . 1 . . . . 53 LEU QB . 6981 1 520 . 1 1 53 53 LEU HB3 H 1 1.682 . . 1 . . . . 53 LEU QB . 6981 1 521 . 1 1 53 53 LEU HG H 1 1.536 . . 1 . . . . 53 LEU HG . 6981 1 522 . 1 1 53 53 LEU HD11 H 1 0.909 . . 2 . . . . 53 LEU QD1 . 6981 1 523 . 1 1 53 53 LEU HD12 H 1 0.909 . . 2 . . . . 53 LEU QD1 . 6981 1 524 . 1 1 53 53 LEU HD13 H 1 0.909 . . 2 . . . . 53 LEU QD1 . 6981 1 525 . 1 1 53 53 LEU HD21 H 1 0.912 . . 2 . . . . 53 LEU QD2 . 6981 1 526 . 1 1 53 53 LEU HD22 H 1 0.912 . . 2 . . . . 53 LEU QD2 . 6981 1 527 . 1 1 53 53 LEU HD23 H 1 0.912 . . 2 . . . . 53 LEU QD2 . 6981 1 528 . 1 1 53 53 LEU C C 13 178.133 . . 1 . . . . 53 LEU C . 6981 1 529 . 1 1 53 53 LEU CA C 13 58.102 . . 1 . . . . 53 LEU CA . 6981 1 530 . 1 1 53 53 LEU CB C 13 41.683 . . 1 . . . . 53 LEU CB . 6981 1 531 . 1 1 53 53 LEU CG C 13 27.023 . . 1 . . . . 53 LEU CG . 6981 1 532 . 1 1 53 53 LEU CD1 C 13 23.976 . . 2 . . . . 53 LEU CD1 . 6981 1 533 . 1 1 53 53 LEU CD2 C 13 24.959 . . 2 . . . . 53 LEU CD2 . 6981 1 534 . 1 1 53 53 LEU N N 15 120.475 . . 1 . . . . 53 LEU N . 6981 1 535 . 1 1 54 54 ALA H H 1 8.020 . . 1 . . . . 54 ALA HN . 6981 1 536 . 1 1 54 54 ALA HA H 1 4.180 . . 1 . . . . 54 ALA HA . 6981 1 537 . 1 1 54 54 ALA HB1 H 1 1.509 . . 1 . . . . 54 ALA QB . 6981 1 538 . 1 1 54 54 ALA HB2 H 1 1.509 . . 1 . . . . 54 ALA QB . 6981 1 539 . 1 1 54 54 ALA HB3 H 1 1.509 . . 1 . . . . 54 ALA QB . 6981 1 540 . 1 1 54 54 ALA C C 13 180.594 . . 1 . . . . 54 ALA C . 6981 1 541 . 1 1 54 54 ALA CA C 13 54.985 . . 1 . . . . 54 ALA CA . 6981 1 542 . 1 1 54 54 ALA CB C 13 17.909 . . 1 . . . . 54 ALA CB . 6981 1 543 . 1 1 54 54 ALA N N 15 122.224 . . 1 . . . . 54 ALA N . 6981 1 544 . 1 1 55 55 ASN H H 1 8.521 . . 1 . . . . 55 ASN HN . 6981 1 545 . 1 1 55 55 ASN HA H 1 4.491 . . 1 . . . . 55 ASN HA . 6981 1 546 . 1 1 55 55 ASN HB2 H 1 2.762 . . 2 . . . . 55 ASN HB2 . 6981 1 547 . 1 1 55 55 ASN HB3 H 1 2.888 . . 2 . . . . 55 ASN HB3 . 6981 1 548 . 1 1 55 55 ASN HD21 H 1 7.580 . . 2 . . . . 55 ASN HD21 . 6981 1 549 . 1 1 55 55 ASN HD22 H 1 6.879 . . 2 . . . . 55 ASN HD22 . 6981 1 550 . 1 1 55 55 ASN C C 13 177.059 . . 1 . . . . 55 ASN C . 6981 1 551 . 1 1 55 55 ASN CA C 13 56.134 . . 1 . . . . 55 ASN CA . 6981 1 552 . 1 1 55 55 ASN CB C 13 38.363 . . 1 . . . . 55 ASN CB . 6981 1 553 . 1 1 55 55 ASN N N 15 117.039 . . 1 . . . . 55 ASN N . 6981 1 554 . 1 1 55 55 ASN ND2 N 15 111.870 . . 1 . . . . 55 ASN ND2 . 6981 1 555 . 1 1 56 56 TYR H H 1 7.829 . . 1 . . . . 56 TYR HN . 6981 1 556 . 1 1 56 56 TYR HA H 1 4.048 . . 1 . . . . 56 TYR HA . 6981 1 557 . 1 1 56 56 TYR HB2 H 1 3.238 . . 2 . . . . 56 TYR HB2 . 6981 1 558 . 1 1 56 56 TYR HB3 H 1 2.974 . . 2 . . . . 56 TYR HB3 . 6981 1 559 . 1 1 56 56 TYR HD1 H 1 6.792 . . 1 . . . . 56 TYR QD . 6981 1 560 . 1 1 56 56 TYR HD2 H 1 6.792 . . 1 . . . . 56 TYR QD . 6981 1 561 . 1 1 56 56 TYR C C 13 177.239 . . 1 . . . . 56 TYR C . 6981 1 562 . 1 1 56 56 TYR CA C 13 61.575 . . 1 . . . . 56 TYR CA . 6981 1 563 . 1 1 56 56 TYR CB C 13 38.709 . . 1 . . . . 56 TYR CB . 6981 1 564 . 1 1 56 56 TYR N N 15 119.507 . . 1 . . . . 56 TYR N . 6981 1 565 . 1 1 57 57 GLN H H 1 8.454 . . 1 . . . . 57 GLN HN . 6981 1 566 . 1 1 57 57 GLN HA H 1 3.762 . . 1 . . . . 57 GLN HA . 6981 1 567 . 1 1 57 57 GLN HB2 H 1 2.055 . . 2 . . . . 57 GLN HB2 . 6981 1 568 . 1 1 57 57 GLN HB3 H 1 2.223 . . 2 . . . . 57 GLN HB3 . 6981 1 569 . 1 1 57 57 GLN HG2 H 1 2.614 . . 2 . . . . 57 GLN HG2 . 6981 1 570 . 1 1 57 57 GLN HG3 H 1 2.430 . . 2 . . . . 57 GLN HG3 . 6981 1 571 . 1 1 57 57 GLN HE21 H 1 7.390 . . 2 . . . . 57 GLN HE21 . 6981 1 572 . 1 1 57 57 GLN HE22 H 1 6.865 . . 2 . . . . 57 GLN HE22 . 6981 1 573 . 1 1 57 57 GLN C C 13 178.998 . . 1 . . . . 57 GLN C . 6981 1 574 . 1 1 57 57 GLN CA C 13 58.926 . . 1 . . . . 57 GLN CA . 6981 1 575 . 1 1 57 57 GLN CB C 13 28.054 . . 1 . . . . 57 GLN CB . 6981 1 576 . 1 1 57 57 GLN CG C 13 33.986 . . 1 . . . . 57 GLN CG . 6981 1 577 . 1 1 57 57 GLN N N 15 117.332 . . 1 . . . . 57 GLN N . 6981 1 578 . 1 1 57 57 GLN NE2 N 15 110.909 . . 1 . . . . 57 GLN NE2 . 6981 1 579 . 1 1 58 58 MET H H 1 8.203 . . 1 . . . . 58 MET HN . 6981 1 580 . 1 1 58 58 MET HA H 1 4.188 . . 1 . . . . 58 MET HA . 6981 1 581 . 1 1 58 58 MET HB2 H 1 2.231 . . 2 . . . . 58 MET HB2 . 6981 1 582 . 1 1 58 58 MET HE1 H 1 2.071 . . 1 . . . . 58 MET QE . 6981 1 583 . 1 1 58 58 MET HE2 H 1 2.071 . . 1 . . . . 58 MET QE . 6981 1 584 . 1 1 58 58 MET HE3 H 1 2.071 . . 1 . . . . 58 MET QE . 6981 1 585 . 1 1 58 58 MET C C 13 178.687 . . 1 . . . . 58 MET C . 6981 1 586 . 1 1 58 58 MET CA C 13 58.828 . . 1 . . . . 58 MET CA . 6981 1 587 . 1 1 58 58 MET CB C 13 32.510 . . 1 . . . . 58 MET CB . 6981 1 588 . 1 1 58 58 MET CE C 13 16.924 . . 1 . . . . 58 MET CE . 6981 1 589 . 1 1 58 58 MET N N 15 119.805 . . 1 . . . . 58 MET N . 6981 1 590 . 1 1 59 59 ILE H H 1 7.990 . . 1 . . . . 59 ILE HN . 6981 1 591 . 1 1 59 59 ILE HA H 1 3.886 . . 1 . . . . 59 ILE HA . 6981 1 592 . 1 1 59 59 ILE HB H 1 1.719 . . 1 . . . . 59 ILE HB . 6981 1 593 . 1 1 59 59 ILE HG12 H 1 1.554 . . 9 . . . . 59 ILE HG12 . 6981 1 594 . 1 1 59 59 ILE HG13 H 1 1.196 . . 9 . . . . 59 ILE HG13 . 6981 1 595 . 1 1 59 59 ILE HG21 H 1 0.832 . . 1 . . . . 59 ILE QG2 . 6981 1 596 . 1 1 59 59 ILE HG22 H 1 0.832 . . 1 . . . . 59 ILE QG2 . 6981 1 597 . 1 1 59 59 ILE HG23 H 1 0.832 . . 1 . . . . 59 ILE QG2 . 6981 1 598 . 1 1 59 59 ILE HD11 H 1 0.780 . . 1 . . . . 59 ILE QD1 . 6981 1 599 . 1 1 59 59 ILE HD12 H 1 0.780 . . 1 . . . . 59 ILE QD1 . 6981 1 600 . 1 1 59 59 ILE HD13 H 1 0.780 . . 1 . . . . 59 ILE QD1 . 6981 1 601 . 1 1 59 59 ILE C C 13 177.816 . . 1 . . . . 59 ILE C . 6981 1 602 . 1 1 59 59 ILE CA C 13 63.352 . . 1 . . . . 59 ILE CA . 6981 1 603 . 1 1 59 59 ILE CB C 13 37.364 . . 1 . . . . 59 ILE CB . 6981 1 604 . 1 1 59 59 ILE CG1 C 13 29.064 . . 2 . . . . 59 ILE CG1 . 6981 1 605 . 1 1 59 59 ILE CG2 C 13 18.479 . . 2 . . . . 59 ILE CG2 . 6981 1 606 . 1 1 59 59 ILE CD1 C 13 13.477 . . 1 . . . . 59 ILE CD1 . 6981 1 607 . 1 1 59 59 ILE N N 15 121.192 . . 1 . . . . 59 ILE N . 6981 1 608 . 1 1 60 60 MET H H 1 8.436 . . 1 . . . . 60 MET HN . 6981 1 609 . 1 1 60 60 MET HA H 1 4.183 . . 1 . . . . 60 MET HA . 6981 1 610 . 1 1 60 60 MET HB2 H 1 1.652 . . 2 . . . . 60 MET HB2 . 6981 1 611 . 1 1 60 60 MET HB3 H 1 1.765 . . 2 . . . . 60 MET HB3 . 6981 1 612 . 1 1 60 60 MET HG2 H 1 2.188 . . 2 . . . . 60 MET HG2 . 6981 1 613 . 1 1 60 60 MET HE1 H 1 1.889 . . 1 . . . . 60 MET QE . 6981 1 614 . 1 1 60 60 MET HE2 H 1 1.889 . . 1 . . . . 60 MET QE . 6981 1 615 . 1 1 60 60 MET HE3 H 1 1.889 . . 1 . . . . 60 MET QE . 6981 1 616 . 1 1 60 60 MET C C 13 178.524 . . 1 . . . . 60 MET C . 6981 1 617 . 1 1 60 60 MET CA C 13 57.774 . . 1 . . . . 60 MET CA . 6981 1 618 . 1 1 60 60 MET CB C 13 31.033 . . 1 . . . . 60 MET CB . 6981 1 619 . 1 1 60 60 MET CE C 13 17.053 . . 1 . . . . 60 MET CE . 6981 1 620 . 1 1 60 60 MET N N 15 120.393 . . 1 . . . . 60 MET N . 6981 1 621 . 1 1 61 61 SER H H 1 7.976 . . 1 . . . . 61 SER HN . 6981 1 622 . 1 1 61 61 SER HA H 1 4.267 . . 1 . . . . 61 SER HA . 6981 1 623 . 1 1 61 61 SER HB2 H 1 4.026 . . 1 . . . . 61 SER QB . 6981 1 624 . 1 1 61 61 SER HB3 H 1 4.026 . . 1 . . . . 61 SER QB . 6981 1 625 . 1 1 61 61 SER C C 13 176.829 . . 1 . . . . 61 SER C . 6981 1 626 . 1 1 61 61 SER CA C 13 61.712 . . 1 . . . . 61 SER CA . 6981 1 627 . 1 1 61 61 SER CB C 13 62.564 . . 1 . . . . 61 SER CB . 6981 1 628 . 1 1 61 61 SER N N 15 114.743 . . 1 . . . . 61 SER N . 6981 1 629 . 1 1 62 62 GLU H H 1 7.811 . . 1 . . . . 62 GLU HN . 6981 1 630 . 1 1 62 62 GLU HA H 1 4.090 . . 1 . . . . 62 GLU HA . 6981 1 631 . 1 1 62 62 GLU HB2 H 1 2.150 . . 2 . . . . 62 GLU HB2 . 6981 1 632 . 1 1 62 62 GLU HG2 H 1 2.381 . . 2 . . . . 62 GLU HG2 . 6981 1 633 . 1 1 62 62 GLU HG3 H 1 2.264 . . 2 . . . . 62 GLU HG3 . 6981 1 634 . 1 1 62 62 GLU C C 13 178.561 . . 1 . . . . 62 GLU C . 6981 1 635 . 1 1 62 62 GLU CA C 13 59.251 . . 1 . . . . 62 GLU CA . 6981 1 636 . 1 1 62 62 GLU CB C 13 29.721 . . 1 . . . . 62 GLU CB . 6981 1 637 . 1 1 62 62 GLU CG C 13 36.307 . . 1 . . . . 62 GLU CG . 6981 1 638 . 1 1 62 62 GLU N N 15 122.693 . . 1 . . . . 62 GLU N . 6981 1 639 . 1 1 63 63 TYR H H 1 8.863 . . 1 . . . . 63 TYR HN . 6981 1 640 . 1 1 63 63 TYR HA H 1 4.147 . . 1 . . . . 63 TYR HA . 6981 1 641 . 1 1 63 63 TYR HB2 H 1 3.211 . . 2 . . . . 63 TYR HB2 . 6981 1 642 . 1 1 63 63 TYR HB3 H 1 2.970 . . 2 . . . . 63 TYR HB3 . 6981 1 643 . 1 1 63 63 TYR C C 13 176.062 . . 1 . . . . 63 TYR C . 6981 1 644 . 1 1 63 63 TYR CA C 13 61.383 . . 1 . . . . 63 TYR CA . 6981 1 645 . 1 1 63 63 TYR CB C 13 38.574 . . 1 . . . . 63 TYR CB . 6981 1 646 . 1 1 63 63 TYR N N 15 121.146 . . 1 . . . . 63 TYR N . 6981 1 647 . 1 1 64 64 ASN H H 1 8.443 . . 1 . . . . 64 ASN HN . 6981 1 648 . 1 1 64 64 ASN HA H 1 4.353 . . 1 . . . . 64 ASN HA . 6981 1 649 . 1 1 64 64 ASN HB2 H 1 2.876 . . 2 . . . . 64 ASN HB2 . 6981 1 650 . 1 1 64 64 ASN HB3 H 1 2.722 . . 2 . . . . 64 ASN HB3 . 6981 1 651 . 1 1 64 64 ASN HD21 H 1 7.588 . . 2 . . . . 64 ASN HD21 . 6981 1 652 . 1 1 64 64 ASN HD22 H 1 6.938 . . 2 . . . . 64 ASN HD22 . 6981 1 653 . 1 1 64 64 ASN C C 13 177.328 . . 1 . . . . 64 ASN C . 6981 1 654 . 1 1 64 64 ASN CA C 13 55.641 . . 1 . . . . 64 ASN CA . 6981 1 655 . 1 1 64 64 ASN CB C 13 38.088 . . 1 . . . . 64 ASN CB . 6981 1 656 . 1 1 64 64 ASN N N 15 117.301 . . 1 . . . . 64 ASN N . 6981 1 657 . 1 1 64 64 ASN ND2 N 15 111.603 . . 1 . . . . 64 ASN ND2 . 6981 1 658 . 1 1 65 65 LEU H H 1 7.834 . . 1 . . . . 65 LEU HN . 6981 1 659 . 1 1 65 65 LEU HA H 1 4.060 . . 1 . . . . 65 LEU HA . 6981 1 660 . 1 1 65 65 LEU HB2 H 1 1.780 . . 2 . . . . 65 LEU HB2 . 6981 1 661 . 1 1 65 65 LEU HB3 H 1 1.505 . . 2 . . . . 65 LEU HB3 . 6981 1 662 . 1 1 65 65 LEU HG H 1 1.653 . . 1 . . . . 65 LEU HG . 6981 1 663 . 1 1 65 65 LEU HD11 H 1 0.803 . . 2 . . . . 65 LEU QD1 . 6981 1 664 . 1 1 65 65 LEU HD12 H 1 0.803 . . 2 . . . . 65 LEU QD1 . 6981 1 665 . 1 1 65 65 LEU HD13 H 1 0.803 . . 2 . . . . 65 LEU QD1 . 6981 1 666 . 1 1 65 65 LEU HD21 H 1 0.848 . . 2 . . . . 65 LEU QD2 . 6981 1 667 . 1 1 65 65 LEU HD22 H 1 0.848 . . 2 . . . . 65 LEU QD2 . 6981 1 668 . 1 1 65 65 LEU HD23 H 1 0.848 . . 2 . . . . 65 LEU QD2 . 6981 1 669 . 1 1 65 65 LEU C C 13 179.094 . . 1 . . . . 65 LEU C . 6981 1 670 . 1 1 65 65 LEU CA C 13 57.689 . . 1 . . . . 65 LEU CA . 6981 1 671 . 1 1 65 65 LEU CB C 13 41.786 . . 1 . . . . 65 LEU CB . 6981 1 672 . 1 1 65 65 LEU N N 15 120.998 . . 1 . . . . 65 LEU N . 6981 1 673 . 1 1 66 66 TYR H H 1 7.891 . . 1 . . . . 66 TYR HN . 6981 1 674 . 1 1 66 66 TYR HA H 1 4.215 . . 1 . . . . 66 TYR HA . 6981 1 675 . 1 1 66 66 TYR HB2 H 1 3.007 . . 2 . . . . 66 TYR HB2 . 6981 1 676 . 1 1 66 66 TYR HB3 H 1 2.937 . . 2 . . . . 66 TYR HB3 . 6981 1 677 . 1 1 66 66 TYR C C 13 177.447 . . 1 . . . . 66 TYR C . 6981 1 678 . 1 1 66 66 TYR CA C 13 60.235 . . 1 . . . . 66 TYR CA . 6981 1 679 . 1 1 66 66 TYR CB C 13 38.252 . . 1 . . . . 66 TYR CB . 6981 1 680 . 1 1 66 66 TYR N N 15 119.755 . . 1 . . . . 66 TYR N . 6981 1 681 . 1 1 67 67 ARG H H 1 8.191 . . 1 . . . . 67 ARG HN . 6981 1 682 . 1 1 67 67 ARG HA H 1 3.851 . . 1 . . . . 67 ARG HA . 6981 1 683 . 1 1 67 67 ARG HB2 H 1 1.637 . . 1 . . . . 67 ARG QB . 6981 1 684 . 1 1 67 67 ARG HB3 H 1 1.637 . . 1 . . . . 67 ARG QB . 6981 1 685 . 1 1 67 67 ARG HG2 H 1 1.438 . . 2 . . . . 67 ARG HG2 . 6981 1 686 . 1 1 67 67 ARG HG3 H 1 1.374 . . 2 . . . . 67 ARG HG3 . 6981 1 687 . 1 1 67 67 ARG HD2 H 1 2.968 . . 2 . . . . 67 ARG HD2 . 6981 1 688 . 1 1 67 67 ARG HD3 H 1 2.936 . . 2 . . . . 67 ARG HD3 . 6981 1 689 . 1 1 67 67 ARG C C 13 177.794 . . 1 . . . . 67 ARG C . 6981 1 690 . 1 1 67 67 ARG CA C 13 57.938 . . 1 . . . . 67 ARG CA . 6981 1 691 . 1 1 67 67 ARG CB C 13 29.739 . . 1 . . . . 67 ARG CB . 6981 1 692 . 1 1 67 67 ARG CG C 13 26.932 . . 1 . . . . 67 ARG CG . 6981 1 693 . 1 1 67 67 ARG CD C 13 43.006 . . 1 . . . . 67 ARG CD . 6981 1 694 . 1 1 67 67 ARG N N 15 119.335 . . 1 . . . . 67 ARG N . 6981 1 695 . 1 1 68 68 ASN H H 1 8.080 . . 1 . . . . 68 ASN HN . 6981 1 696 . 1 1 68 68 ASN HA H 1 4.538 . . 1 . . . . 68 ASN HA . 6981 1 697 . 1 1 68 68 ASN HB2 H 1 2.784 . . 2 . . . . 68 ASN HB2 . 6981 1 698 . 1 1 68 68 ASN HB3 H 1 2.788 . . 1 . . . . 68 ASN QB . 6981 1 699 . 1 1 68 68 ASN HD21 H 1 7.539 . . 2 . . . . 68 ASN HD21 . 6981 1 700 . 1 1 68 68 ASN HD22 H 1 6.868 . . 2 . . . . 68 ASN HD22 . 6981 1 701 . 1 1 68 68 ASN C C 13 176.024 . . 1 . . . . 68 ASN C . 6981 1 702 . 1 1 68 68 ASN CA C 13 54.368 . . 1 . . . . 68 ASN CA . 6981 1 703 . 1 1 68 68 ASN CB C 13 38.432 . . 1 . . . . 68 ASN CB . 6981 1 704 . 1 1 68 68 ASN N N 15 117.919 . . 1 . . . . 68 ASN N . 6981 1 705 . 1 1 68 68 ASN ND2 N 15 112.432 . . 1 . . . . 68 ASN ND2 . 6981 1 706 . 1 1 69 69 ALA H H 1 7.892 . . 1 . . . . 69 ALA HN . 6981 1 707 . 1 1 69 69 ALA HA H 1 4.183 . . 1 . . . . 69 ALA HA . 6981 1 708 . 1 1 69 69 ALA HB1 H 1 1.386 . . 1 . . . . 69 ALA QB . 6981 1 709 . 1 1 69 69 ALA HB2 H 1 1.386 . . 1 . . . . 69 ALA QB . 6981 1 710 . 1 1 69 69 ALA HB3 H 1 1.386 . . 1 . . . . 69 ALA QB . 6981 1 711 . 1 1 69 69 ALA C C 13 178.499 . . 1 . . . . 69 ALA C . 6981 1 712 . 1 1 69 69 ALA CA C 13 53.509 . . 1 . . . . 69 ALA CA . 6981 1 713 . 1 1 69 69 ALA CB C 13 18.565 . . 1 . . . . 69 ALA CB . 6981 1 714 . 1 1 69 69 ALA N N 15 123.350 . . 1 . . . . 69 ALA N . 6981 1 715 . 1 1 70 70 GLN H H 1 8.019 . . 1 . . . . 70 GLN HN . 6981 1 716 . 1 1 70 70 GLN HA H 1 4.119 . . 1 . . . . 70 GLN HA . 6981 1 717 . 1 1 70 70 GLN HB2 H 1 2.071 . . 2 . . . . 70 GLN HB2 . 6981 1 718 . 1 1 70 70 GLN HB3 H 1 1.901 . . 2 . . . . 70 GLN HB3 . 6981 1 719 . 1 1 70 70 GLN HG2 H 1 2.202 . . 1 . . . . 70 GLN QG . 6981 1 720 . 1 1 70 70 GLN HG3 H 1 2.202 . . 1 . . . . 70 GLN QG . 6981 1 721 . 1 1 70 70 GLN HE21 H 1 7.265 . . 2 . . . . 70 GLN HE21 . 6981 1 722 . 1 1 70 70 GLN HE22 H 1 6.763 . . 2 . . . . 70 GLN HE22 . 6981 1 723 . 1 1 70 70 GLN C C 13 176.207 . . 1 . . . . 70 GLN C . 6981 1 724 . 1 1 70 70 GLN CA C 13 56.541 . . 1 . . . . 70 GLN CA . 6981 1 725 . 1 1 70 70 GLN CB C 13 29.162 . . 1 . . . . 70 GLN CB . 6981 1 726 . 1 1 70 70 GLN CG C 13 33.658 . . 1 . . . . 70 GLN CG . 6981 1 727 . 1 1 70 70 GLN N N 15 117.826 . . 1 . . . . 70 GLN N . 6981 1 728 . 1 1 70 70 GLN NE2 N 15 112.466 . . 1 . . . . 70 GLN NE2 . 6981 1 729 . 1 1 71 71 SER H H 1 8.111 . . 1 . . . . 71 SER HN . 6981 1 730 . 1 1 71 71 SER HA H 1 4.340 . . 1 . . . . 71 SER HA . 6981 1 731 . 1 1 71 71 SER HB2 H 1 3.927 . . 2 . . . . 71 SER HB2 . 6981 1 732 . 1 1 71 71 SER HB3 H 1 3.851 . . 2 . . . . 71 SER HB3 . 6981 1 733 . 1 1 71 71 SER CA C 13 59.087 . . 1 . . . . 71 SER CA . 6981 1 734 . 1 1 71 71 SER CB C 13 63.352 . . 1 . . . . 71 SER CB . 6981 1 735 . 1 1 71 71 SER N N 15 119.600 . . 1 . . . . 71 SER N . 6981 1 736 . 1 1 72 72 SER HA H 1 4.365 . . 1 . . . . 72 SER HA . 6981 1 737 . 1 1 72 72 SER HB2 H 1 3.897 . . 2 . . . . 72 SER HB2 . 6981 1 738 . 1 1 72 72 SER HB3 H 1 3.839 . . 2 . . . . 72 SER HB3 . 6981 1 739 . 1 1 72 72 SER C C 13 174.480 . . 1 . . . . 72 SER C . 6981 1 740 . 1 1 72 72 SER CA C 13 58.758 . . 1 . . . . 72 SER CA . 6981 1 741 . 1 1 72 72 SER CB C 13 63.516 . . 1 . . . . 72 SER CB . 6981 1 742 . 1 1 73 73 ALA H H 1 8.080 . . 1 . . . . 73 ALA HN . 6981 1 743 . 1 1 73 73 ALA HA H 1 4.262 . . 1 . . . . 73 ALA HA . 6981 1 744 . 1 1 73 73 ALA HB1 H 1 1.362 . . 1 . . . . 73 ALA QB . 6981 1 745 . 1 1 73 73 ALA HB2 H 1 1.362 . . 1 . . . . 73 ALA QB . 6981 1 746 . 1 1 73 73 ALA HB3 H 1 1.362 . . 1 . . . . 73 ALA QB . 6981 1 747 . 1 1 73 73 ALA C C 13 177.936 . . 1 . . . . 73 ALA C . 6981 1 748 . 1 1 73 73 ALA CA C 13 53.017 . . 1 . . . . 73 ALA CA . 6981 1 749 . 1 1 73 73 ALA CB C 13 19.057 . . 1 . . . . 73 ALA CB . 6981 1 750 . 1 1 73 73 ALA N N 15 125.405 . . 1 . . . . 73 ALA N . 6981 1 751 . 1 1 74 74 VAL H H 1 7.915 . . 1 . . . . 74 VAL HN . 6981 1 752 . 1 1 74 74 VAL HA H 1 3.982 . . 1 . . . . 74 VAL HA . 6981 1 753 . 1 1 74 74 VAL HB H 1 2.036 . . 1 . . . . 74 VAL HB . 6981 1 754 . 1 1 74 74 VAL HG11 H 1 0.916 . . 2 . . . . 74 VAL QG1 . 6981 1 755 . 1 1 74 74 VAL HG12 H 1 0.916 . . 2 . . . . 74 VAL QG1 . 6981 1 756 . 1 1 74 74 VAL HG13 H 1 0.916 . . 2 . . . . 74 VAL QG1 . 6981 1 757 . 1 1 74 74 VAL HG21 H 1 0.887 . . 2 . . . . 74 VAL QG2 . 6981 1 758 . 1 1 74 74 VAL HG22 H 1 0.887 . . 2 . . . . 74 VAL QG2 . 6981 1 759 . 1 1 74 74 VAL HG23 H 1 0.887 . . 2 . . . . 74 VAL QG2 . 6981 1 760 . 1 1 74 74 VAL C C 13 176.364 . . 1 . . . . 74 VAL C . 6981 1 761 . 1 1 74 74 VAL CA C 13 62.796 . . 1 . . . . 74 VAL CA . 6981 1 762 . 1 1 74 74 VAL CB C 13 32.436 . . 1 . . . . 74 VAL CB . 6981 1 763 . 1 1 74 74 VAL CG1 C 13 20.874 . . 2 . . . . 74 VAL CG1 . 6981 1 764 . 1 1 74 74 VAL CG2 C 13 21.190 . . 2 . . . . 74 VAL CG2 . 6981 1 765 . 1 1 74 74 VAL N N 15 118.717 . . 1 . . . . 74 VAL N . 6981 1 766 . 1 1 75 75 LYS H H 1 8.261 . . 1 . . . . 75 LYS HN . 6981 1 767 . 1 1 75 75 LYS HA H 1 4.277 . . 1 . . . . 75 LYS HA . 6981 1 768 . 1 1 75 75 LYS HB2 H 1 1.789 . . 2 . . . . 75 LYS HB2 . 6981 1 769 . 1 1 75 75 LYS HB3 H 1 1.730 . . 2 . . . . 75 LYS HB3 . 6981 1 770 . 1 1 75 75 LYS C C 13 176.400 . . 1 . . . . 75 LYS C . 6981 1 771 . 1 1 75 75 LYS CA C 13 56.462 . . 1 . . . . 75 LYS CA . 6981 1 772 . 1 1 75 75 LYS N N 15 124.623 . . 1 . . . . 75 LYS N . 6981 1 773 . 1 1 76 76 SER H H 1 8.268 . . 1 . . . . 76 SER HN . 6981 1 774 . 1 1 76 76 SER HA H 1 4.411 . . 1 . . . . 76 SER HA . 6981 1 775 . 1 1 76 76 SER HB2 H 1 3.879 . . 2 . . . . 76 SER HB2 . 6981 1 776 . 1 1 76 76 SER HB3 H 1 3.825 . . 2 . . . . 76 SER HB3 . 6981 1 777 . 1 1 76 76 SER CA C 13 58.292 . . 1 . . . . 76 SER CA . 6981 1 778 . 1 1 76 76 SER CB C 13 63.674 . . 1 . . . . 76 SER CB . 6981 1 779 . 1 1 76 76 SER N N 15 124.355 . . 1 . . . . 76 SER N . 6981 1 780 . 1 1 77 77 MET HA H 1 4.439 . . 1 . . . . 77 MET HA . 6981 1 781 . 1 1 77 77 MET HB2 H 1 2.596 . . 2 . . . . 77 MET HB2 . 6981 1 782 . 1 1 77 77 MET HB3 H 1 2.504 . . 2 . . . . 77 MET HB3 . 6981 1 783 . 1 1 77 77 MET HE1 H 1 2.028 . . 1 . . . . 77 MET QE . 6981 1 784 . 1 1 77 77 MET HE2 H 1 2.028 . . 1 . . . . 77 MET QE . 6981 1 785 . 1 1 77 77 MET HE3 H 1 2.028 . . 1 . . . . 77 MET QE . 6981 1 786 . 1 1 77 77 MET CA C 13 55.806 . . 1 . . . . 77 MET CA . 6981 1 787 . 1 1 77 77 MET CB C 13 32.017 . . 1 . . . . 77 MET CB . 6981 1 788 . 1 1 77 77 MET CE C 13 16.932 . . 1 . . . . 77 MET CE . 6981 1 789 . 1 1 78 78 LYS HA H 1 4.245 . . 1 . . . . 78 LYS HA . 6981 1 790 . 1 1 78 78 LYS CA C 13 56.626 . . 1 . . . . 78 LYS CA . 6981 1 791 . 1 1 79 79 ASP HA H 1 4.563 . . 1 . . . . 79 ASP HA . 6981 1 792 . 1 1 79 79 ASP HB2 H 1 2.709 . . 2 . . . . 79 ASP HB2 . 6981 1 793 . 1 1 79 79 ASP HB3 H 1 2.588 . . 2 . . . . 79 ASP HB3 . 6981 1 794 . 1 1 79 79 ASP CA C 13 54.657 . . 1 . . . . 79 ASP CA . 6981 1 795 . 1 1 79 79 ASP CB C 13 41.041 . . 1 . . . . 79 ASP CB . 6981 1 796 . 1 1 80 80 ILE H H 1 7.971 . . 1 . . . . 80 ILE HN . 6981 1 797 . 1 1 80 80 ILE HA H 1 4.085 . . 1 . . . . 80 ILE HA . 6981 1 798 . 1 1 80 80 ILE HB H 1 1.840 . . 1 . . . . 80 ILE HB . 6981 1 799 . 1 1 80 80 ILE HD11 H 1 0.807 . . 1 . . . . 80 ILE QD1 . 6981 1 800 . 1 1 80 80 ILE HD12 H 1 0.807 . . 1 . . . . 80 ILE QD1 . 6981 1 801 . 1 1 80 80 ILE HD13 H 1 0.807 . . 1 . . . . 80 ILE QD1 . 6981 1 802 . 1 1 80 80 ILE C C 13 175.922 . . 1 . . . . 80 ILE C . 6981 1 803 . 1 1 80 80 ILE CA C 13 61.547 . . 1 . . . . 80 ILE CA . 6981 1 804 . 1 1 80 80 ILE CB C 13 38.820 . . 1 . . . . 80 ILE CB . 6981 1 805 . 1 1 80 80 ILE CD1 C 13 13.151 . . 1 . . . . 80 ILE CD1 . 6981 1 806 . 1 1 80 80 ILE N N 15 120.242 . . 1 . . . . 80 ILE N . 6981 1 807 . 1 1 81 81 ASP H H 1 8.310 . . 1 . . . . 81 ASP HN . 6981 1 808 . 1 1 81 81 ASP HA H 1 4.613 . . 1 . . . . 81 ASP HA . 6981 1 809 . 1 1 81 81 ASP HB2 H 1 2.736 . . 2 . . . . 81 ASP HB2 . 6981 1 810 . 1 1 81 81 ASP HB3 H 1 2.635 . . 2 . . . . 81 ASP HB3 . 6981 1 811 . 1 1 81 81 ASP C C 13 176.631 . . 1 . . . . 81 ASP C . 6981 1 812 . 1 1 81 81 ASP CA C 13 54.329 . . 1 . . . . 81 ASP CA . 6981 1 813 . 1 1 81 81 ASP CB C 13 41.205 . . 1 . . . . 81 ASP CB . 6981 1 814 . 1 1 81 81 ASP N N 15 123.945 . . 1 . . . . 81 ASP N . 6981 1 815 . 1 1 82 82 SER H H 1 8.328 . . 1 . . . . 82 SER HN . 6981 1 816 . 1 1 82 82 SER HA H 1 4.336 . . 1 . . . . 82 SER HA . 6981 1 817 . 1 1 82 82 SER HB2 H 1 3.854 . . 2 . . . . 82 SER HB2 . 6981 1 818 . 1 1 82 82 SER HB3 H 1 3.930 . . 2 . . . . 82 SER HB3 . 6981 1 819 . 1 1 82 82 SER C C 13 175.060 . . 1 . . . . 82 SER C . 6981 1 820 . 1 1 82 82 SER CA C 13 59.182 . . 1 . . . . 82 SER CA . 6981 1 821 . 1 1 82 82 SER CB C 13 63.352 . . 1 . . . . 82 SER CB . 6981 1 822 . 1 1 82 82 SER N N 15 117.540 . . 1 . . . . 82 SER N . 6981 1 823 . 1 1 83 83 SER H H 1 8.433 . . 1 . . . . 83 SER HN . 6981 1 824 . 1 1 83 83 SER HA H 1 4.350 . . 1 . . . . 83 SER HA . 6981 1 825 . 1 1 83 83 SER HB2 H 1 3.887 . . 2 . . . . 83 SER HB2 . 6981 1 826 . 1 1 83 83 SER HB3 H 1 3.864 . . 2 . . . . 83 SER HB3 . 6981 1 827 . 1 1 83 83 SER C C 13 177.161 . . 1 . . . . 83 SER C . 6981 1 828 . 1 1 83 83 SER CA C 13 59.579 . . 1 . . . . 83 SER CA . 6981 1 829 . 1 1 83 83 SER CB C 13 63.352 . . 1 . . . . 83 SER CB . 6981 1 830 . 1 1 83 83 SER N N 15 118.213 . . 1 . . . . 83 SER N . 6981 1 831 . 1 1 84 84 ILE H H 1 7.792 . . 1 . . . . 84 ILE HN . 6981 1 832 . 1 1 84 84 ILE HA H 1 4.079 . . 1 . . . . 84 ILE HA . 6981 1 833 . 1 1 84 84 ILE HB H 1 1.874 . . 1 . . . . 84 ILE HB . 6981 1 834 . 1 1 84 84 ILE C C 13 176.292 . . 1 . . . . 84 ILE C . 6981 1 835 . 1 1 84 84 ILE CA C 13 61.219 . . 1 . . . . 84 ILE CA . 6981 1 836 . 1 1 84 84 ILE CB C 13 38.276 . . 1 . . . . 84 ILE CB . 6981 1 837 . 1 1 84 84 ILE N N 15 121.451 . . 1 . . . . 84 ILE N . 6981 1 838 . 1 1 85 85 LEU H H 1 8.006 . . 1 . . . . 85 LEU HN . 6981 1 839 . 1 1 85 85 LEU HD11 H 1 1.459 . . 1 . . . . 85 LEU QQD . 6981 1 840 . 1 1 85 85 LEU HD12 H 1 1.459 . . 1 . . . . 85 LEU QQD . 6981 1 841 . 1 1 85 85 LEU HD13 H 1 1.459 . . 1 . . . . 85 LEU QQD . 6981 1 842 . 1 1 85 85 LEU HD21 H 1 1.459 . . 1 . . . . 85 LEU QQD . 6981 1 843 . 1 1 85 85 LEU HD22 H 1 1.459 . . 1 . . . . 85 LEU QQD . 6981 1 844 . 1 1 85 85 LEU HD23 H 1 1.459 . . 1 . . . . 85 LEU QQD . 6981 1 845 . 1 1 85 85 LEU C C 13 177.525 . . 1 . . . . 85 LEU C . 6981 1 846 . 1 1 85 85 LEU N N 15 124.612 . . 1 . . . . 85 LEU N . 6981 1 847 . 1 1 86 86 GLU H H 1 8.160 . . 1 . . . . 86 GLU HN . 6981 1 848 . 1 1 86 86 GLU N N 15 123.625 . . 1 . . . . 86 GLU N . 6981 1 stop_ save_