################################### # 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 7191 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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 '2D 1H15N_HSQC' 1 $NC isotropic 7191 1 2 '2D 1H13C_HSQC (ali)' 1 $NC isotropic 7191 1 3 '2D 1H13C_HSQC (aro)' 1 $NC isotropic 7191 1 4 '2D CT-1H13C_HSQC (ali)' 1 $NC isotropic 7191 1 5 '2D CT-1H13C_HSQC (aro)' 1 $NC isotropic 7191 1 6 '3D HNCO' 1 $NC isotropic 7191 1 7 '(4,3)D GFT CABCA(CO)NHN' 1 $NC isotropic 7191 1 8 '3D HAB(CO)NH' 1 $NC isotropic 7191 1 9 '(4,3)D GFT HNNCABCA' 1 $NC isotropic 7191 1 10 '(4,3)D GFT HCCH-COSY (ali)' 1 $NC isotropic 7191 1 12 '3D 15N-, 13Cali-, 13Caro-resolved NOESY' 1 $NC isotropic 7191 1 13 '2D 28ms CT-1H13C_HSQC (methyl)' 2 $NC7 isotropic 7191 1 14 '2D 56ms CT-1H13C_HSQC (methyl)' 2 $NC7 isotropic 7191 1 15 '3D (H)CCH-TOCSY (ali)' 1 $NC isotropic 7191 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.Ambiguity_set_ID _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 13 13 GLY H H 1 8.500 0.02 . 1 . . . . . 13 GLY H . 7191 1 2 . 1 1 13 13 GLY HA2 H 1 4.007 0.02 . 1 . . . . . 13 GLY HA2 . 7191 1 3 . 1 1 13 13 GLY HA3 H 1 4.007 0.02 . 1 . . . . . 13 GLY HA3 . 7191 1 4 . 1 1 13 13 GLY C C 13 174.507 0.3 . 1 . . . . . 13 GLY C . 7191 1 5 . 1 1 13 13 GLY CA C 13 45.562 0.3 . 1 . . . . . 13 GLY CA . 7191 1 6 . 1 1 13 13 GLY N N 15 110.924 0.3 . 1 . . . . . 13 GLY N . 7191 1 7 . 1 1 14 14 ARG H H 1 8.202 0.02 . 1 . . . . . 14 ARG H . 7191 1 8 . 1 1 14 14 ARG HA H 1 4.304 0.02 . 1 . . . . . 14 ARG HA . 7191 1 9 . 1 1 14 14 ARG HB2 H 1 1.773 0.02 . 2 . . . . . 14 ARG HB2 . 7191 1 10 . 1 1 14 14 ARG HB3 H 1 1.873 0.02 . 2 . . . . . 14 ARG HB3 . 7191 1 11 . 1 1 14 14 ARG HG2 H 1 1.598 0.02 . 1 . . . . . 14 ARG HG2 . 7191 1 12 . 1 1 14 14 ARG HG3 H 1 1.598 0.02 . 1 . . . . . 14 ARG HG3 . 7191 1 13 . 1 1 14 14 ARG HD2 H 1 3.151 0.02 . 1 . . . . . 14 ARG HD2 . 7191 1 14 . 1 1 14 14 ARG HD3 H 1 3.151 0.02 . 1 . . . . . 14 ARG HD3 . 7191 1 15 . 1 1 14 14 ARG C C 13 176.687 0.3 . 1 . . . . . 14 ARG C . 7191 1 16 . 1 1 14 14 ARG CA C 13 56.164 0.3 . 1 . . . . . 14 ARG CA . 7191 1 17 . 1 1 14 14 ARG CB C 13 30.629 0.3 . 1 . . . . . 14 ARG CB . 7191 1 18 . 1 1 14 14 ARG CG C 13 27.105 0.3 . 1 . . . . . 14 ARG CG . 7191 1 19 . 1 1 14 14 ARG CD C 13 43.215 0.3 . 1 . . . . . 14 ARG CD . 7191 1 20 . 1 1 14 14 ARG N N 15 120.361 0.3 . 1 . . . . . 14 ARG N . 7191 1 21 . 1 1 15 15 GLU H H 1 8.629 0.02 . 1 . . . . . 15 GLU H . 7191 1 22 . 1 1 15 15 GLU HA H 1 4.230 0.02 . 1 . . . . . 15 GLU HA . 7191 1 23 . 1 1 15 15 GLU HB2 H 1 1.987 0.02 . 2 . . . . . 15 GLU HB2 . 7191 1 24 . 1 1 15 15 GLU HB3 H 1 2.067 0.02 . 2 . . . . . 15 GLU HB3 . 7191 1 25 . 1 1 15 15 GLU HG2 H 1 2.282 0.02 . 1 . . . . . 15 GLU HG2 . 7191 1 26 . 1 1 15 15 GLU HG3 H 1 2.282 0.02 . 1 . . . . . 15 GLU HG3 . 7191 1 27 . 1 1 15 15 GLU C C 13 176.501 0.3 . 1 . . . . . 15 GLU C . 7191 1 28 . 1 1 15 15 GLU CA C 13 57.031 0.3 . 1 . . . . . 15 GLU CA . 7191 1 29 . 1 1 15 15 GLU CB C 13 29.806 0.3 . 1 . . . . . 15 GLU CB . 7191 1 30 . 1 1 15 15 GLU CG C 13 36.260 0.3 . 1 . . . . . 15 GLU CG . 7191 1 31 . 1 1 15 15 GLU N N 15 120.846 0.3 . 1 . . . . . 15 GLU N . 7191 1 32 . 1 1 16 16 ASN H H 1 8.383 0.02 . 1 . . . . . 16 ASN H . 7191 1 33 . 1 1 16 16 ASN HA H 1 4.662 0.02 . 1 . . . . . 16 ASN HA . 7191 1 34 . 1 1 16 16 ASN HB2 H 1 2.794 0.02 . 2 . . . . . 16 ASN HB2 . 7191 1 35 . 1 1 16 16 ASN HB3 H 1 2.835 0.02 . 2 . . . . . 16 ASN HB3 . 7191 1 36 . 1 1 16 16 ASN HD21 H 1 6.929 0.02 . 2 . . . . . 16 ASN HD21 . 7191 1 37 . 1 1 16 16 ASN HD22 H 1 7.609 0.02 . 2 . . . . . 16 ASN HD22 . 7191 1 38 . 1 1 16 16 ASN C C 13 175.742 0.3 . 1 . . . . . 16 ASN C . 7191 1 39 . 1 1 16 16 ASN CA C 13 53.490 0.3 . 1 . . . . . 16 ASN CA . 7191 1 40 . 1 1 16 16 ASN CB C 13 38.655 0.3 . 1 . . . . . 16 ASN CB . 7191 1 41 . 1 1 16 16 ASN N N 15 118.986 0.3 . 1 . . . . . 16 ASN N . 7191 1 42 . 1 1 16 16 ASN ND2 N 15 112.842 0.3 . 1 . . . . . 16 ASN ND2 . 7191 1 43 . 1 1 17 17 LEU H H 1 8.114 0.02 . 1 . . . . . 17 LEU H . 7191 1 44 . 1 1 17 17 LEU HA H 1 4.171 0.02 . 1 . . . . . 17 LEU HA . 7191 1 45 . 1 1 17 17 LEU HB2 H 1 1.395 0.02 . 2 . . . . . 17 LEU HB2 . 7191 1 46 . 1 1 17 17 LEU HB3 H 1 1.613 0.02 . 2 . . . . . 17 LEU HB3 . 7191 1 47 . 1 1 17 17 LEU HG H 1 1.582 0.02 . 1 . . . . . 17 LEU HG . 7191 1 48 . 1 1 17 17 LEU HD11 H 1 0.860 0.02 . 1 . . . . . 17 LEU HD1 . 7191 1 49 . 1 1 17 17 LEU HD12 H 1 0.860 0.02 . 1 . . . . . 17 LEU HD1 . 7191 1 50 . 1 1 17 17 LEU HD13 H 1 0.860 0.02 . 1 . . . . . 17 LEU HD1 . 7191 1 51 . 1 1 17 17 LEU HD21 H 1 0.797 0.02 . 1 . . . . . 17 LEU HD2 . 7191 1 52 . 1 1 17 17 LEU HD22 H 1 0.797 0.02 . 1 . . . . . 17 LEU HD2 . 7191 1 53 . 1 1 17 17 LEU HD23 H 1 0.797 0.02 . 1 . . . . . 17 LEU HD2 . 7191 1 54 . 1 1 17 17 LEU C C 13 177.686 0.3 . 1 . . . . . 17 LEU C . 7191 1 55 . 1 1 17 17 LEU CA C 13 55.935 0.3 . 1 . . . . . 17 LEU CA . 7191 1 56 . 1 1 17 17 LEU CB C 13 41.850 0.3 . 1 . . . . . 17 LEU CB . 7191 1 57 . 1 1 17 17 LEU CG C 13 26.889 0.3 . 1 . . . . . 17 LEU CG . 7191 1 58 . 1 1 17 17 LEU CD1 C 13 25.206 0.3 . 1 . . . . . 17 LEU CD1 . 7191 1 59 . 1 1 17 17 LEU CD2 C 13 23.296 0.3 . 1 . . . . . 17 LEU CD2 . 7191 1 60 . 1 1 17 17 LEU N N 15 121.511 0.3 . 1 . . . . . 17 LEU N . 7191 1 61 . 1 1 18 18 TYR H H 1 8.061 0.02 . 1 . . . . . 18 TYR H . 7191 1 62 . 1 1 18 18 TYR N N 15 120.226 0.3 . 1 . . . . . 18 TYR N . 7191 1 63 . 1 1 19 19 PHE H H 1 8.073 0.02 . 1 . . . . . 19 PHE H . 7191 1 64 . 1 1 19 19 PHE N N 15 119.498 0.3 . 1 . . . . . 19 PHE N . 7191 1 65 . 1 1 20 20 GLN HA H 1 4.178 0.02 . 1 . . . . . 20 GLN HA . 7191 1 66 . 1 1 20 20 GLN HB2 H 1 2.064 0.02 . 2 . . . . . 20 GLN HB2 . 7191 1 67 . 1 1 20 20 GLN HB3 H 1 2.205 0.02 . 2 . . . . . 20 GLN HB3 . 7191 1 68 . 1 1 20 20 GLN HG2 H 1 2.417 0.02 . 1 . . . . . 20 GLN HG2 . 7191 1 69 . 1 1 20 20 GLN HG3 H 1 2.417 0.02 . 1 . . . . . 20 GLN HG3 . 7191 1 70 . 1 1 20 20 GLN HE21 H 1 7.464 0.02 . 2 . . . . . 20 GLN HE21 . 7191 1 71 . 1 1 20 20 GLN HE22 H 1 6.881 0.02 . 2 . . . . . 20 GLN HE22 . 7191 1 72 . 1 1 20 20 GLN CA C 13 56.632 0.3 . 1 . . . . . 20 GLN CA . 7191 1 73 . 1 1 20 20 GLN CB C 13 28.664 0.3 . 1 . . . . . 20 GLN CB . 7191 1 74 . 1 1 20 20 GLN CG C 13 34.031 0.3 . 1 . . . . . 20 GLN CG . 7191 1 75 . 1 1 20 20 GLN NE2 N 15 111.826 0.3 . 1 . . . . . 20 GLN NE2 . 7191 1 76 . 1 1 23 23 LEU H H 1 7.446 0.02 . 1 . . . . . 23 LEU H . 7191 1 77 . 1 1 23 23 LEU HA H 1 4.602 0.02 . 1 . . . . . 23 LEU HA . 7191 1 78 . 1 1 23 23 LEU HB2 H 1 1.139 0.02 . 2 . . . . . 23 LEU HB2 . 7191 1 79 . 1 1 23 23 LEU HB3 H 1 1.742 0.02 . 2 . . . . . 23 LEU HB3 . 7191 1 80 . 1 1 23 23 LEU HG H 1 1.567 0.02 . 1 . . . . . 23 LEU HG . 7191 1 81 . 1 1 23 23 LEU HD11 H 1 0.743 0.02 . 1 . . . . . 23 LEU HD1 . 7191 1 82 . 1 1 23 23 LEU HD12 H 1 0.743 0.02 . 1 . . . . . 23 LEU HD1 . 7191 1 83 . 1 1 23 23 LEU HD13 H 1 0.743 0.02 . 1 . . . . . 23 LEU HD1 . 7191 1 84 . 1 1 23 23 LEU HD21 H 1 0.580 0.02 . 1 . . . . . 23 LEU HD2 . 7191 1 85 . 1 1 23 23 LEU HD22 H 1 0.580 0.02 . 1 . . . . . 23 LEU HD2 . 7191 1 86 . 1 1 23 23 LEU HD23 H 1 0.580 0.02 . 1 . . . . . 23 LEU HD2 . 7191 1 87 . 1 1 23 23 LEU C C 13 177.246 0.3 . 1 . . . . . 23 LEU C . 7191 1 88 . 1 1 23 23 LEU CA C 13 53.930 0.3 . 1 . . . . . 23 LEU CA . 7191 1 89 . 1 1 23 23 LEU CB C 13 43.204 0.3 . 1 . . . . . 23 LEU CB . 7191 1 90 . 1 1 23 23 LEU CG C 13 26.894 0.3 . 1 . . . . . 23 LEU CG . 7191 1 91 . 1 1 23 23 LEU CD1 C 13 26.407 0.3 . 1 . . . . . 23 LEU CD1 . 7191 1 92 . 1 1 23 23 LEU CD2 C 13 22.165 0.3 . 1 . . . . . 23 LEU CD2 . 7191 1 93 . 1 1 23 23 LEU N N 15 118.501 0.3 . 1 . . . . . 23 LEU N . 7191 1 94 . 1 1 24 24 ARG H H 1 9.437 0.02 . 1 . . . . . 24 ARG H . 7191 1 95 . 1 1 24 24 ARG HA H 1 4.722 0.02 . 1 . . . . . 24 ARG HA . 7191 1 96 . 1 1 24 24 ARG HB2 H 1 1.506 0.02 . 2 . . . . . 24 ARG HB2 . 7191 1 97 . 1 1 24 24 ARG HB3 H 1 1.808 0.02 . 2 . . . . . 24 ARG HB3 . 7191 1 98 . 1 1 24 24 ARG HG2 H 1 1.455 0.02 . 2 . . . . . 24 ARG HG2 . 7191 1 99 . 1 1 24 24 ARG HG3 H 1 1.612 0.02 . 2 . . . . . 24 ARG HG3 . 7191 1 100 . 1 1 24 24 ARG HD2 H 1 3.168 0.02 . 2 . . . . . 24 ARG HD2 . 7191 1 101 . 1 1 24 24 ARG HD3 H 1 3.302 0.02 . 2 . . . . . 24 ARG HD3 . 7191 1 102 . 1 1 24 24 ARG C C 13 174.876 0.3 . 1 . . . . . 24 ARG C . 7191 1 103 . 1 1 24 24 ARG CA C 13 52.147 0.3 . 1 . . . . . 24 ARG CA . 7191 1 104 . 1 1 24 24 ARG CB C 13 34.188 0.3 . 1 . . . . . 24 ARG CB . 7191 1 105 . 1 1 24 24 ARG CG C 13 26.445 0.3 . 1 . . . . . 24 ARG CG . 7191 1 106 . 1 1 24 24 ARG CD C 13 41.889 0.3 . 1 . . . . . 24 ARG CD . 7191 1 107 . 1 1 24 24 ARG N N 15 120.307 0.3 . 1 . . . . . 24 ARG N . 7191 1 108 . 1 1 25 25 GLU H H 1 8.869 0.02 . 1 . . . . . 25 GLU H . 7191 1 109 . 1 1 25 25 GLU HA H 1 4.338 0.02 . 1 . . . . . 25 GLU HA . 7191 1 110 . 1 1 25 25 GLU HB2 H 1 1.933 0.02 . 1 . . . . . 25 GLU HB2 . 7191 1 111 . 1 1 25 25 GLU HB3 H 1 1.933 0.02 . 1 . . . . . 25 GLU HB3 . 7191 1 112 . 1 1 25 25 GLU HG2 H 1 1.803 0.02 . 2 . . . . . 25 GLU HG2 . 7191 1 113 . 1 1 25 25 GLU HG3 H 1 2.078 0.02 . 2 . . . . . 25 GLU HG3 . 7191 1 114 . 1 1 25 25 GLU C C 13 175.065 0.3 . 1 . . . . . 25 GLU C . 7191 1 115 . 1 1 25 25 GLU CA C 13 56.842 0.3 . 1 . . . . . 25 GLU CA . 7191 1 116 . 1 1 25 25 GLU CB C 13 30.696 0.3 . 1 . . . . . 25 GLU CB . 7191 1 117 . 1 1 25 25 GLU CG C 13 37.173 0.3 . 1 . . . . . 25 GLU CG . 7191 1 118 . 1 1 25 25 GLU N N 15 122.374 0.3 . 1 . . . . . 25 GLU N . 7191 1 119 . 1 1 26 26 LEU H H 1 9.548 0.02 . 1 . . . . . 26 LEU H . 7191 1 120 . 1 1 26 26 LEU HA H 1 4.383 0.02 . 1 . . . . . 26 LEU HA . 7191 1 121 . 1 1 26 26 LEU HB2 H 1 1.276 0.02 . 2 . . . . . 26 LEU HB2 . 7191 1 122 . 1 1 26 26 LEU HB3 H 1 1.719 0.02 . 2 . . . . . 26 LEU HB3 . 7191 1 123 . 1 1 26 26 LEU HG H 1 1.423 0.02 . 1 . . . . . 26 LEU HG . 7191 1 124 . 1 1 26 26 LEU HD11 H 1 0.884 0.02 . 1 . . . . . 26 LEU HD1 . 7191 1 125 . 1 1 26 26 LEU HD12 H 1 0.884 0.02 . 1 . . . . . 26 LEU HD1 . 7191 1 126 . 1 1 26 26 LEU HD13 H 1 0.884 0.02 . 1 . . . . . 26 LEU HD1 . 7191 1 127 . 1 1 26 26 LEU HD21 H 1 0.731 0.02 . 1 . . . . . 26 LEU HD2 . 7191 1 128 . 1 1 26 26 LEU HD22 H 1 0.731 0.02 . 1 . . . . . 26 LEU HD2 . 7191 1 129 . 1 1 26 26 LEU HD23 H 1 0.731 0.02 . 1 . . . . . 26 LEU HD2 . 7191 1 130 . 1 1 26 26 LEU C C 13 175.817 0.3 . 1 . . . . . 26 LEU C . 7191 1 131 . 1 1 26 26 LEU CA C 13 55.481 0.3 . 1 . . . . . 26 LEU CA . 7191 1 132 . 1 1 26 26 LEU CB C 13 44.776 0.3 . 1 . . . . . 26 LEU CB . 7191 1 133 . 1 1 26 26 LEU CG C 13 26.910 0.3 . 1 . . . . . 26 LEU CG . 7191 1 134 . 1 1 26 26 LEU CD1 C 13 24.433 0.3 . 1 . . . . . 26 LEU CD1 . 7191 1 135 . 1 1 26 26 LEU CD2 C 13 27.326 0.3 . 1 . . . . . 26 LEU CD2 . 7191 1 136 . 1 1 26 26 LEU N N 15 129.290 0.3 . 1 . . . . . 26 LEU N . 7191 1 137 . 1 1 27 27 LEU H H 1 7.549 0.02 . 1 . . . . . 27 LEU H . 7191 1 138 . 1 1 27 27 LEU HA H 1 4.682 0.02 . 1 . . . . . 27 LEU HA . 7191 1 139 . 1 1 27 27 LEU HB2 H 1 1.806 0.02 . 2 . . . . . 27 LEU HB2 . 7191 1 140 . 1 1 27 27 LEU HB3 H 1 1.857 0.02 . 2 . . . . . 27 LEU HB3 . 7191 1 141 . 1 1 27 27 LEU HG H 1 1.444 0.02 . 1 . . . . . 27 LEU HG . 7191 1 142 . 1 1 27 27 LEU HD11 H 1 0.722 0.02 . 1 . . . . . 27 LEU HD1 . 7191 1 143 . 1 1 27 27 LEU HD12 H 1 0.722 0.02 . 1 . . . . . 27 LEU HD1 . 7191 1 144 . 1 1 27 27 LEU HD13 H 1 0.722 0.02 . 1 . . . . . 27 LEU HD1 . 7191 1 145 . 1 1 27 27 LEU HD21 H 1 0.716 0.02 . 1 . . . . . 27 LEU HD2 . 7191 1 146 . 1 1 27 27 LEU HD22 H 1 0.716 0.02 . 1 . . . . . 27 LEU HD2 . 7191 1 147 . 1 1 27 27 LEU HD23 H 1 0.716 0.02 . 1 . . . . . 27 LEU HD2 . 7191 1 148 . 1 1 27 27 LEU C C 13 172.705 0.3 . 1 . . . . . 27 LEU C . 7191 1 149 . 1 1 27 27 LEU CA C 13 54.504 0.3 . 1 . . . . . 27 LEU CA . 7191 1 150 . 1 1 27 27 LEU CB C 13 44.314 0.3 . 1 . . . . . 27 LEU CB . 7191 1 151 . 1 1 27 27 LEU CG C 13 26.222 0.3 . 1 . . . . . 27 LEU CG . 7191 1 152 . 1 1 27 27 LEU CD1 C 13 25.759 0.3 . 1 . . . . . 27 LEU CD1 . 7191 1 153 . 1 1 27 27 LEU CD2 C 13 27.675 0.3 . 1 . . . . . 27 LEU CD2 . 7191 1 154 . 1 1 27 27 LEU N N 15 112.605 0.3 . 1 . . . . . 27 LEU N . 7191 1 155 . 1 1 28 28 ARG H H 1 8.811 0.02 . 1 . . . . . 28 ARG H . 7191 1 156 . 1 1 28 28 ARG HA H 1 5.544 0.02 . 1 . . . . . 28 ARG HA . 7191 1 157 . 1 1 28 28 ARG HB2 H 1 1.534 0.02 . 2 . . . . . 28 ARG HB2 . 7191 1 158 . 1 1 28 28 ARG HB3 H 1 2.015 0.02 . 2 . . . . . 28 ARG HB3 . 7191 1 159 . 1 1 28 28 ARG HG2 H 1 1.596 0.02 . 1 . . . . . 28 ARG HG2 . 7191 1 160 . 1 1 28 28 ARG HG3 H 1 1.596 0.02 . 1 . . . . . 28 ARG HG3 . 7191 1 161 . 1 1 28 28 ARG HD2 H 1 2.950 0.02 . 2 . . . . . 28 ARG HD2 . 7191 1 162 . 1 1 28 28 ARG HD3 H 1 3.241 0.02 . 2 . . . . . 28 ARG HD3 . 7191 1 163 . 1 1 28 28 ARG C C 13 174.321 0.3 . 1 . . . . . 28 ARG C . 7191 1 164 . 1 1 28 28 ARG CA C 13 53.975 0.3 . 1 . . . . . 28 ARG CA . 7191 1 165 . 1 1 28 28 ARG CB C 13 33.390 0.3 . 1 . . . . . 28 ARG CB . 7191 1 166 . 1 1 28 28 ARG CG C 13 24.640 0.3 . 1 . . . . . 28 ARG CG . 7191 1 167 . 1 1 28 28 ARG CD C 13 43.786 0.3 . 1 . . . . . 28 ARG CD . 7191 1 168 . 1 1 28 28 ARG N N 15 119.278 0.3 . 1 . . . . . 28 ARG N . 7191 1 169 . 1 1 29 29 THR H H 1 8.881 0.02 . 1 . . . . . 29 THR H . 7191 1 170 . 1 1 29 29 THR HA H 1 4.739 0.02 . 1 . . . . . 29 THR HA . 7191 1 171 . 1 1 29 29 THR HB H 1 4.377 0.02 . 1 . . . . . 29 THR HB . 7191 1 172 . 1 1 29 29 THR HG21 H 1 0.920 0.02 . 1 . . . . . 29 THR HG2 . 7191 1 173 . 1 1 29 29 THR HG22 H 1 0.920 0.02 . 1 . . . . . 29 THR HG2 . 7191 1 174 . 1 1 29 29 THR HG23 H 1 0.920 0.02 . 1 . . . . . 29 THR HG2 . 7191 1 175 . 1 1 29 29 THR C C 13 171.459 0.3 . 1 . . . . . 29 THR C . 7191 1 176 . 1 1 29 29 THR CA C 13 60.973 0.3 . 1 . . . . . 29 THR CA . 7191 1 177 . 1 1 29 29 THR CB C 13 67.094 0.3 . 1 . . . . . 29 THR CB . 7191 1 178 . 1 1 29 29 THR CG2 C 13 19.071 0.3 . 1 . . . . . 29 THR CG2 . 7191 1 179 . 1 1 29 29 THR N N 15 116.182 0.3 . 1 . . . . . 29 THR N . 7191 1 180 . 1 1 30 30 ASN H H 1 8.530 0.02 . 1 . . . . . 30 ASN H . 7191 1 181 . 1 1 30 30 ASN HA H 1 5.122 0.02 . 1 . . . . . 30 ASN HA . 7191 1 182 . 1 1 30 30 ASN HB2 H 1 2.835 0.02 . 2 . . . . . 30 ASN HB2 . 7191 1 183 . 1 1 30 30 ASN HB3 H 1 2.682 0.02 . 2 . . . . . 30 ASN HB3 . 7191 1 184 . 1 1 30 30 ASN HD21 H 1 7.584 0.02 . 2 . . . . . 30 ASN HD21 . 7191 1 185 . 1 1 30 30 ASN HD22 H 1 6.807 0.02 . 2 . . . . . 30 ASN HD22 . 7191 1 186 . 1 1 30 30 ASN C C 13 174.753 0.3 . 1 . . . . . 30 ASN C . 7191 1 187 . 1 1 30 30 ASN CA C 13 51.942 0.3 . 1 . . . . . 30 ASN CA . 7191 1 188 . 1 1 30 30 ASN CB C 13 39.244 0.3 . 1 . . . . . 30 ASN CB . 7191 1 189 . 1 1 30 30 ASN N N 15 124.415 0.3 . 1 . . . . . 30 ASN N . 7191 1 190 . 1 1 30 30 ASN ND2 N 15 111.055 0.3 . 1 . . . . . 30 ASN ND2 . 7191 1 191 . 1 1 31 31 ASP H H 1 8.957 0.02 . 1 . . . . . 31 ASP H . 7191 1 192 . 1 1 31 31 ASP HA H 1 4.622 0.02 . 1 . . . . . 31 ASP HA . 7191 1 193 . 1 1 31 31 ASP HB2 H 1 2.559 0.02 . 2 . . . . . 31 ASP HB2 . 7191 1 194 . 1 1 31 31 ASP HB3 H 1 3.145 0.02 . 2 . . . . . 31 ASP HB3 . 7191 1 195 . 1 1 31 31 ASP C C 13 175.724 0.3 . 1 . . . . . 31 ASP C . 7191 1 196 . 1 1 31 31 ASP CA C 13 53.481 0.3 . 1 . . . . . 31 ASP CA . 7191 1 197 . 1 1 31 31 ASP CB C 13 41.641 0.3 . 1 . . . . . 31 ASP CB . 7191 1 198 . 1 1 31 31 ASP N N 15 124.163 0.3 . 1 . . . . . 31 ASP N . 7191 1 199 . 1 1 32 32 ALA H H 1 8.834 0.02 . 1 . . . . . 32 ALA H . 7191 1 200 . 1 1 32 32 ALA HA H 1 4.000 0.02 . 1 . . . . . 32 ALA HA . 7191 1 201 . 1 1 32 32 ALA HB1 H 1 1.535 0.02 . 1 . . . . . 32 ALA HB . 7191 1 202 . 1 1 32 32 ALA HB2 H 1 1.535 0.02 . 1 . . . . . 32 ALA HB . 7191 1 203 . 1 1 32 32 ALA HB3 H 1 1.535 0.02 . 1 . . . . . 32 ALA HB . 7191 1 204 . 1 1 32 32 ALA C C 13 180.426 0.3 . 1 . . . . . 32 ALA C . 7191 1 205 . 1 1 32 32 ALA CA C 13 54.817 0.3 . 1 . . . . . 32 ALA CA . 7191 1 206 . 1 1 32 32 ALA CB C 13 19.373 0.3 . 1 . . . . . 32 ALA CB . 7191 1 207 . 1 1 32 32 ALA N N 15 129.421 0.3 . 1 . . . . . 32 ALA N . 7191 1 208 . 1 1 33 33 VAL H H 1 8.141 0.02 . 1 . . . . . 33 VAL H . 7191 1 209 . 1 1 33 33 VAL HA H 1 3.706 0.02 . 1 . . . . . 33 VAL HA . 7191 1 210 . 1 1 33 33 VAL HB H 1 2.367 0.02 . 1 . . . . . 33 VAL HB . 7191 1 211 . 1 1 33 33 VAL HG11 H 1 0.961 0.02 . 1 . . . . . 33 VAL HG1 . 7191 1 212 . 1 1 33 33 VAL HG12 H 1 0.961 0.02 . 1 . . . . . 33 VAL HG1 . 7191 1 213 . 1 1 33 33 VAL HG13 H 1 0.961 0.02 . 1 . . . . . 33 VAL HG1 . 7191 1 214 . 1 1 33 33 VAL HG21 H 1 1.073 0.02 . 1 . . . . . 33 VAL HG2 . 7191 1 215 . 1 1 33 33 VAL HG22 H 1 1.073 0.02 . 1 . . . . . 33 VAL HG2 . 7191 1 216 . 1 1 33 33 VAL HG23 H 1 1.073 0.02 . 1 . . . . . 33 VAL HG2 . 7191 1 217 . 1 1 33 33 VAL C C 13 179.112 0.3 . 1 . . . . . 33 VAL C . 7191 1 218 . 1 1 33 33 VAL CA C 13 65.779 0.3 . 1 . . . . . 33 VAL CA . 7191 1 219 . 1 1 33 33 VAL CB C 13 31.114 0.3 . 1 . . . . . 33 VAL CB . 7191 1 220 . 1 1 33 33 VAL CG1 C 13 21.188 0.3 . 1 . . . . . 33 VAL CG1 . 7191 1 221 . 1 1 33 33 VAL CG2 C 13 22.464 0.3 . 1 . . . . . 33 VAL CG2 . 7191 1 222 . 1 1 33 33 VAL N N 15 120.563 0.3 . 1 . . . . . 33 VAL N . 7191 1 223 . 1 1 34 34 LEU H H 1 7.531 0.02 . 1 . . . . . 34 LEU H . 7191 1 224 . 1 1 34 34 LEU HA H 1 4.202 0.02 . 1 . . . . . 34 LEU HA . 7191 1 225 . 1 1 34 34 LEU HB2 H 1 1.571 0.02 . 2 . . . . . 34 LEU HB2 . 7191 1 226 . 1 1 34 34 LEU HB3 H 1 1.946 0.02 . 2 . . . . . 34 LEU HB3 . 7191 1 227 . 1 1 34 34 LEU HG H 1 1.424 0.02 . 1 . . . . . 34 LEU HG . 7191 1 228 . 1 1 34 34 LEU HD11 H 1 0.946 0.02 . 1 . . . . . 34 LEU HD1 . 7191 1 229 . 1 1 34 34 LEU HD12 H 1 0.946 0.02 . 1 . . . . . 34 LEU HD1 . 7191 1 230 . 1 1 34 34 LEU HD13 H 1 0.946 0.02 . 1 . . . . . 34 LEU HD1 . 7191 1 231 . 1 1 34 34 LEU HD21 H 1 0.973 0.02 . 1 . . . . . 34 LEU HD2 . 7191 1 232 . 1 1 34 34 LEU HD22 H 1 0.973 0.02 . 1 . . . . . 34 LEU HD2 . 7191 1 233 . 1 1 34 34 LEU HD23 H 1 0.973 0.02 . 1 . . . . . 34 LEU HD2 . 7191 1 234 . 1 1 34 34 LEU C C 13 178.863 0.3 . 1 . . . . . 34 LEU C . 7191 1 235 . 1 1 34 34 LEU CA C 13 57.066 0.3 . 1 . . . . . 34 LEU CA . 7191 1 236 . 1 1 34 34 LEU CB C 13 40.767 0.3 . 1 . . . . . 34 LEU CB . 7191 1 237 . 1 1 34 34 LEU CG C 13 27.373 0.3 . 1 . . . . . 34 LEU CG . 7191 1 238 . 1 1 34 34 LEU CD1 C 13 24.215 0.3 . 1 . . . . . 34 LEU CD1 . 7191 1 239 . 1 1 34 34 LEU CD2 C 13 25.583 0.3 . 1 . . . . . 34 LEU CD2 . 7191 1 240 . 1 1 34 34 LEU N N 15 123.907 0.3 . 1 . . . . . 34 LEU N . 7191 1 241 . 1 1 35 35 LEU H H 1 8.330 0.02 . 1 . . . . . 35 LEU H . 7191 1 242 . 1 1 35 35 LEU HA H 1 3.722 0.02 . 1 . . . . . 35 LEU HA . 7191 1 243 . 1 1 35 35 LEU HB2 H 1 1.615 0.02 . 1 . . . . . 35 LEU HB2 . 7191 1 244 . 1 1 35 35 LEU HB3 H 1 1.615 0.02 . 1 . . . . . 35 LEU HB3 . 7191 1 245 . 1 1 35 35 LEU HG H 1 1.560 0.02 . 1 . . . . . 35 LEU HG . 7191 1 246 . 1 1 35 35 LEU HD11 H 1 0.738 0.02 . 2 . . . . . 35 LEU HD1 . 7191 1 247 . 1 1 35 35 LEU HD12 H 1 0.738 0.02 . 2 . . . . . 35 LEU HD1 . 7191 1 248 . 1 1 35 35 LEU HD13 H 1 0.738 0.02 . 2 . . . . . 35 LEU HD1 . 7191 1 249 . 1 1 35 35 LEU HD21 H 1 0.738 0.02 . 2 . . . . . 35 LEU HD2 . 7191 1 250 . 1 1 35 35 LEU HD22 H 1 0.738 0.02 . 2 . . . . . 35 LEU HD2 . 7191 1 251 . 1 1 35 35 LEU HD23 H 1 0.738 0.02 . 2 . . . . . 35 LEU HD2 . 7191 1 252 . 1 1 35 35 LEU C C 13 180.028 0.3 . 1 . . . . . 35 LEU C . 7191 1 253 . 1 1 35 35 LEU CA C 13 58.197 0.3 . 1 . . . . . 35 LEU CA . 7191 1 254 . 1 1 35 35 LEU CB C 13 41.689 0.3 . 1 . . . . . 35 LEU CB . 7191 1 255 . 1 1 35 35 LEU CG C 13 26.695 0.3 . 1 . . . . . 35 LEU CG . 7191 1 256 . 1 1 35 35 LEU CD1 C 13 24.653 0.3 . 1 . . . . . 35 LEU CD1 . 7191 1 257 . 1 1 35 35 LEU N N 15 117.741 0.3 . 1 . . . . . 35 LEU N . 7191 1 258 . 1 1 36 36 SER H H 1 7.939 0.02 . 1 . . . . . 36 SER H . 7191 1 259 . 1 1 36 36 SER HA H 1 4.274 0.02 . 1 . . . . . 36 SER HA . 7191 1 260 . 1 1 36 36 SER HB2 H 1 4.032 0.02 . 1 . . . . . 36 SER HB2 . 7191 1 261 . 1 1 36 36 SER HB3 H 1 4.032 0.02 . 1 . . . . . 36 SER HB3 . 7191 1 262 . 1 1 36 36 SER C C 13 176.931 0.3 . 1 . . . . . 36 SER C . 7191 1 263 . 1 1 36 36 SER CA C 13 61.278 0.3 . 1 . . . . . 36 SER CA . 7191 1 264 . 1 1 36 36 SER CB C 13 62.411 0.3 . 1 . . . . . 36 SER CB . 7191 1 265 . 1 1 36 36 SER N N 15 114.924 0.3 . 1 . . . . . 36 SER N . 7191 1 266 . 1 1 37 37 ALA H H 1 8.114 0.02 . 1 . . . . . 37 ALA H . 7191 1 267 . 1 1 37 37 ALA HA H 1 4.204 0.02 . 1 . . . . . 37 ALA HA . 7191 1 268 . 1 1 37 37 ALA HB1 H 1 1.558 0.02 . 1 . . . . . 37 ALA HB . 7191 1 269 . 1 1 37 37 ALA HB2 H 1 1.558 0.02 . 1 . . . . . 37 ALA HB . 7191 1 270 . 1 1 37 37 ALA HB3 H 1 1.558 0.02 . 1 . . . . . 37 ALA HB . 7191 1 271 . 1 1 37 37 ALA C C 13 180.915 0.3 . 1 . . . . . 37 ALA C . 7191 1 272 . 1 1 37 37 ALA CA C 13 54.832 0.3 . 1 . . . . . 37 ALA CA . 7191 1 273 . 1 1 37 37 ALA CB C 13 18.147 0.3 . 1 . . . . . 37 ALA CB . 7191 1 274 . 1 1 37 37 ALA N N 15 126.104 0.3 . 1 . . . . . 37 ALA N . 7191 1 275 . 1 1 38 38 VAL H H 1 8.875 0.02 . 1 . . . . . 38 VAL H . 7191 1 276 . 1 1 38 38 VAL HA H 1 3.405 0.02 . 1 . . . . . 38 VAL HA . 7191 1 277 . 1 1 38 38 VAL HB H 1 2.101 0.02 . 1 . . . . . 38 VAL HB . 7191 1 278 . 1 1 38 38 VAL HG11 H 1 0.736 0.02 . 1 . . . . . 38 VAL HG1 . 7191 1 279 . 1 1 38 38 VAL HG12 H 1 0.736 0.02 . 1 . . . . . 38 VAL HG1 . 7191 1 280 . 1 1 38 38 VAL HG13 H 1 0.736 0.02 . 1 . . . . . 38 VAL HG1 . 7191 1 281 . 1 1 38 38 VAL HG21 H 1 0.964 0.02 . 1 . . . . . 38 VAL HG2 . 7191 1 282 . 1 1 38 38 VAL HG22 H 1 0.964 0.02 . 1 . . . . . 38 VAL HG2 . 7191 1 283 . 1 1 38 38 VAL HG23 H 1 0.964 0.02 . 1 . . . . . 38 VAL HG2 . 7191 1 284 . 1 1 38 38 VAL C C 13 177.433 0.3 . 1 . . . . . 38 VAL C . 7191 1 285 . 1 1 38 38 VAL CA C 13 66.303 0.3 . 1 . . . . . 38 VAL CA . 7191 1 286 . 1 1 38 38 VAL CB C 13 31.568 0.3 . 1 . . . . . 38 VAL CB . 7191 1 287 . 1 1 38 38 VAL CG1 C 13 21.526 0.3 . 1 . . . . . 38 VAL CG1 . 7191 1 288 . 1 1 38 38 VAL CG2 C 13 23.755 0.3 . 1 . . . . . 38 VAL CG2 . 7191 1 289 . 1 1 38 38 VAL N N 15 118.905 0.3 . 1 . . . . . 38 VAL N . 7191 1 290 . 1 1 39 39 GLY H H 1 8.295 0.02 . 1 . . . . . 39 GLY H . 7191 1 291 . 1 1 39 39 GLY HA2 H 1 3.383 0.02 . 2 . . . . . 39 GLY HA2 . 7191 1 292 . 1 1 39 39 GLY HA3 H 1 3.907 0.02 . 2 . . . . . 39 GLY HA3 . 7191 1 293 . 1 1 39 39 GLY C C 13 174.697 0.3 . 1 . . . . . 39 GLY C . 7191 1 294 . 1 1 39 39 GLY CA C 13 47.661 0.3 . 1 . . . . . 39 GLY CA . 7191 1 295 . 1 1 39 39 GLY N N 15 106.943 0.3 . 1 . . . . . 39 GLY N . 7191 1 296 . 1 1 40 40 ALA H H 1 7.736 0.02 . 1 . . . . . 40 ALA H . 7191 1 297 . 1 1 40 40 ALA HA H 1 4.278 0.02 . 1 . . . . . 40 ALA HA . 7191 1 298 . 1 1 40 40 ALA HB1 H 1 1.525 0.02 . 1 . . . . . 40 ALA HB . 7191 1 299 . 1 1 40 40 ALA HB2 H 1 1.525 0.02 . 1 . . . . . 40 ALA HB . 7191 1 300 . 1 1 40 40 ALA HB3 H 1 1.525 0.02 . 1 . . . . . 40 ALA HB . 7191 1 301 . 1 1 40 40 ALA C C 13 181.798 0.3 . 1 . . . . . 40 ALA C . 7191 1 302 . 1 1 40 40 ALA CA C 13 54.697 0.3 . 1 . . . . . 40 ALA CA . 7191 1 303 . 1 1 40 40 ALA CB C 13 18.269 0.3 . 1 . . . . . 40 ALA CB . 7191 1 304 . 1 1 40 40 ALA N N 15 121.373 0.3 . 1 . . . . . 40 ALA N . 7191 1 305 . 1 1 41 41 LEU H H 1 7.889 0.02 . 1 . . . . . 41 LEU H . 7191 1 306 . 1 1 41 41 LEU HA H 1 4.078 0.02 . 1 . . . . . 41 LEU HA . 7191 1 307 . 1 1 41 41 LEU HB2 H 1 1.909 0.02 . 1 . . . . . 41 LEU HB2 . 7191 1 308 . 1 1 41 41 LEU HB3 H 1 1.331 0.02 . 1 . . . . . 41 LEU HB3 . 7191 1 309 . 1 1 41 41 LEU HG H 1 1.749 0.02 . 1 . . . . . 41 LEU HG . 7191 1 310 . 1 1 41 41 LEU HD11 H 1 0.769 0.02 . 1 . . . . . 41 LEU HD1 . 7191 1 311 . 1 1 41 41 LEU HD12 H 1 0.769 0.02 . 1 . . . . . 41 LEU HD1 . 7191 1 312 . 1 1 41 41 LEU HD13 H 1 0.769 0.02 . 1 . . . . . 41 LEU HD1 . 7191 1 313 . 1 1 41 41 LEU HD21 H 1 0.849 0.02 . 1 . . . . . 41 LEU HD2 . 7191 1 314 . 1 1 41 41 LEU HD22 H 1 0.849 0.02 . 1 . . . . . 41 LEU HD2 . 7191 1 315 . 1 1 41 41 LEU HD23 H 1 0.849 0.02 . 1 . . . . . 41 LEU HD2 . 7191 1 316 . 1 1 41 41 LEU C C 13 179.736 0.3 . 1 . . . . . 41 LEU C . 7191 1 317 . 1 1 41 41 LEU CA C 13 57.296 0.3 . 1 . . . . . 41 LEU CA . 7191 1 318 . 1 1 41 41 LEU CB C 13 42.534 0.3 . 1 . . . . . 41 LEU CB . 7191 1 319 . 1 1 41 41 LEU CG C 13 26.902 0.3 . 1 . . . . . 41 LEU CG . 7191 1 320 . 1 1 41 41 LEU CD1 C 13 25.776 0.3 . 1 . . . . . 41 LEU CD1 . 7191 1 321 . 1 1 41 41 LEU CD2 C 13 23.979 0.3 . 1 . . . . . 41 LEU CD2 . 7191 1 322 . 1 1 41 41 LEU N N 15 121.067 0.3 . 1 . . . . . 41 LEU N . 7191 1 323 . 1 1 42 42 LEU H H 1 8.325 0.02 . 1 . . . . . 42 LEU H . 7191 1 324 . 1 1 42 42 LEU HA H 1 3.860 0.02 . 1 . . . . . 42 LEU HA . 7191 1 325 . 1 1 42 42 LEU HB2 H 1 1.385 0.02 . 2 . . . . . 42 LEU HB2 . 7191 1 326 . 1 1 42 42 LEU HB3 H 1 1.563 0.02 . 2 . . . . . 42 LEU HB3 . 7191 1 327 . 1 1 42 42 LEU HG H 1 1.704 0.02 . 1 . . . . . 42 LEU HG . 7191 1 328 . 1 1 42 42 LEU HD11 H 1 0.087 0.02 . 1 . . . . . 42 LEU HD1 . 7191 1 329 . 1 1 42 42 LEU HD12 H 1 0.087 0.02 . 1 . . . . . 42 LEU HD1 . 7191 1 330 . 1 1 42 42 LEU HD13 H 1 0.087 0.02 . 1 . . . . . 42 LEU HD1 . 7191 1 331 . 1 1 42 42 LEU HD21 H 1 0.599 0.02 . 1 . . . . . 42 LEU HD2 . 7191 1 332 . 1 1 42 42 LEU HD22 H 1 0.599 0.02 . 1 . . . . . 42 LEU HD2 . 7191 1 333 . 1 1 42 42 LEU HD23 H 1 0.599 0.02 . 1 . . . . . 42 LEU HD2 . 7191 1 334 . 1 1 42 42 LEU C C 13 179.612 0.3 . 1 . . . . . 42 LEU C . 7191 1 335 . 1 1 42 42 LEU CA C 13 57.962 0.3 . 1 . . . . . 42 LEU CA . 7191 1 336 . 1 1 42 42 LEU CB C 13 39.646 0.3 . 1 . . . . . 42 LEU CB . 7191 1 337 . 1 1 42 42 LEU CG C 13 25.912 0.3 . 1 . . . . . 42 LEU CG . 7191 1 338 . 1 1 42 42 LEU CD1 C 13 25.545 0.3 . 1 . . . . . 42 LEU CD1 . 7191 1 339 . 1 1 42 42 LEU CD2 C 13 22.115 0.3 . 1 . . . . . 42 LEU CD2 . 7191 1 340 . 1 1 42 42 LEU N N 15 118.959 0.3 . 1 . . . . . 42 LEU N . 7191 1 341 . 1 1 43 43 ASP H H 1 8.958 0.02 . 1 . . . . . 43 ASP H . 7191 1 342 . 1 1 43 43 ASP HA H 1 4.547 0.02 . 1 . . . . . 43 ASP HA . 7191 1 343 . 1 1 43 43 ASP HB2 H 1 2.715 0.02 . 2 . . . . . 43 ASP HB2 . 7191 1 344 . 1 1 43 43 ASP HB3 H 1 2.899 0.02 . 2 . . . . . 43 ASP HB3 . 7191 1 345 . 1 1 43 43 ASP C C 13 181.104 0.3 . 1 . . . . . 43 ASP C . 7191 1 346 . 1 1 43 43 ASP CA C 13 57.290 0.3 . 1 . . . . . 43 ASP CA . 7191 1 347 . 1 1 43 43 ASP CB C 13 40.160 0.3 . 1 . . . . . 43 ASP CB . 7191 1 348 . 1 1 43 43 ASP N N 15 120.051 0.3 . 1 . . . . . 43 ASP N . 7191 1 349 . 1 1 44 44 GLY H H 1 8.165 0.02 . 1 . . . . . 44 GLY H . 7191 1 350 . 1 1 44 44 GLY HA2 H 1 3.951 0.02 . 1 . . . . . 44 GLY HA2 . 7191 1 351 . 1 1 44 44 GLY HA3 H 1 3.951 0.02 . 1 . . . . . 44 GLY HA3 . 7191 1 352 . 1 1 44 44 GLY C C 13 174.170 0.3 . 1 . . . . . 44 GLY C . 7191 1 353 . 1 1 44 44 GLY CA C 13 46.763 0.3 . 1 . . . . . 44 GLY CA . 7191 1 354 . 1 1 44 44 GLY N N 15 107.711 0.3 . 1 . . . . . 44 GLY N . 7191 1 355 . 1 1 45 45 ALA H H 1 7.306 0.02 . 1 . . . . . 45 ALA H . 7191 1 356 . 1 1 45 45 ALA HA H 1 4.566 0.02 . 1 . . . . . 45 ALA HA . 7191 1 357 . 1 1 45 45 ALA HB1 H 1 1.454 0.02 . 1 . . . . . 45 ALA HB . 7191 1 358 . 1 1 45 45 ALA HB2 H 1 1.454 0.02 . 1 . . . . . 45 ALA HB . 7191 1 359 . 1 1 45 45 ALA HB3 H 1 1.454 0.02 . 1 . . . . . 45 ALA HB . 7191 1 360 . 1 1 45 45 ALA C C 13 175.813 0.3 . 1 . . . . . 45 ALA C . 7191 1 361 . 1 1 45 45 ALA CA C 13 50.751 0.3 . 1 . . . . . 45 ALA CA . 7191 1 362 . 1 1 45 45 ALA CB C 13 20.842 0.3 . 1 . . . . . 45 ALA CB . 7191 1 363 . 1 1 45 45 ALA N N 15 122.006 0.3 . 1 . . . . . 45 ALA N . 7191 1 364 . 1 1 46 46 ASP H H 1 8.035 0.02 . 1 . . . . . 46 ASP H . 7191 1 365 . 1 1 46 46 ASP HA H 1 4.333 0.02 . 1 . . . . . 46 ASP HA . 7191 1 366 . 1 1 46 46 ASP HB2 H 1 2.650 0.02 . 2 . . . . . 46 ASP HB2 . 7191 1 367 . 1 1 46 46 ASP HB3 H 1 3.120 0.02 . 2 . . . . . 46 ASP HB3 . 7191 1 368 . 1 1 46 46 ASP C C 13 174.939 0.3 . 1 . . . . . 46 ASP C . 7191 1 369 . 1 1 46 46 ASP CA C 13 55.263 0.3 . 1 . . . . . 46 ASP CA . 7191 1 370 . 1 1 46 46 ASP CB C 13 39.630 0.3 . 1 . . . . . 46 ASP CB . 7191 1 371 . 1 1 46 46 ASP N N 15 117.502 0.3 . 1 . . . . . 46 ASP N . 7191 1 372 . 1 1 47 47 ILE H H 1 8.245 0.02 . 1 . . . . . 47 ILE H . 7191 1 373 . 1 1 47 47 ILE HA H 1 4.227 0.02 . 1 . . . . . 47 ILE HA . 7191 1 374 . 1 1 47 47 ILE HB H 1 1.661 0.02 . 1 . . . . . 47 ILE HB . 7191 1 375 . 1 1 47 47 ILE HG12 H 1 1.660 0.02 . 2 . . . . . 47 ILE HG12 . 7191 1 376 . 1 1 47 47 ILE HG13 H 1 0.886 0.02 . 2 . . . . . 47 ILE HG13 . 7191 1 377 . 1 1 47 47 ILE HG21 H 1 0.962 0.02 . 1 . . . . . 47 ILE HG2 . 7191 1 378 . 1 1 47 47 ILE HG22 H 1 0.962 0.02 . 1 . . . . . 47 ILE HG2 . 7191 1 379 . 1 1 47 47 ILE HG23 H 1 0.962 0.02 . 1 . . . . . 47 ILE HG2 . 7191 1 380 . 1 1 47 47 ILE HD11 H 1 0.790 0.02 . 1 . . . . . 47 ILE HD1 . 7191 1 381 . 1 1 47 47 ILE HD12 H 1 0.790 0.02 . 1 . . . . . 47 ILE HD1 . 7191 1 382 . 1 1 47 47 ILE HD13 H 1 0.790 0.02 . 1 . . . . . 47 ILE HD1 . 7191 1 383 . 1 1 47 47 ILE C C 13 176.625 0.3 . 1 . . . . . 47 ILE C . 7191 1 384 . 1 1 47 47 ILE CA C 13 60.613 0.3 . 1 . . . . . 47 ILE CA . 7191 1 385 . 1 1 47 47 ILE CB C 13 38.757 0.3 . 1 . . . . . 47 ILE CB . 7191 1 386 . 1 1 47 47 ILE CG1 C 13 27.325 0.3 . 1 . . . . . 47 ILE CG1 . 7191 1 387 . 1 1 47 47 ILE CG2 C 13 17.491 0.3 . 1 . . . . . 47 ILE CG2 . 7191 1 388 . 1 1 47 47 ILE CD1 C 13 13.474 0.3 . 1 . . . . . 47 ILE CD1 . 7191 1 389 . 1 1 47 47 ILE N N 15 118.501 0.3 . 1 . . . . . 47 ILE N . 7191 1 390 . 1 1 48 48 GLY H H 1 9.265 0.02 . 1 . . . . . 48 GLY H . 7191 1 391 . 1 1 48 48 GLY HA2 H 1 3.754 0.02 . 2 . . . . . 48 GLY HA2 . 7191 1 392 . 1 1 48 48 GLY HA3 H 1 4.127 0.02 . 2 . . . . . 48 GLY HA3 . 7191 1 393 . 1 1 48 48 GLY C C 13 173.016 0.3 . 1 . . . . . 48 GLY C . 7191 1 394 . 1 1 48 48 GLY CA C 13 45.453 0.3 . 1 . . . . . 48 GLY CA . 7191 1 395 . 1 1 48 48 GLY N N 15 118.743 0.3 . 1 . . . . . 48 GLY N . 7191 1 396 . 1 1 49 49 HIS H H 1 8.396 0.02 . 1 . . . . . 49 HIS H . 7191 1 397 . 1 1 49 49 HIS HA H 1 5.468 0.02 . 1 . . . . . 49 HIS HA . 7191 1 398 . 1 1 49 49 HIS HB2 H 1 2.892 0.02 . 1 . . . . . 49 HIS HB2 . 7191 1 399 . 1 1 49 49 HIS HB3 H 1 3.063 0.02 . 1 . . . . . 49 HIS HB3 . 7191 1 400 . 1 1 49 49 HIS HD2 H 1 6.486 0.02 . 1 . . . . . 49 HIS HD2 . 7191 1 401 . 1 1 49 49 HIS C C 13 172.396 0.3 . 1 . . . . . 49 HIS C . 7191 1 402 . 1 1 49 49 HIS CA C 13 55.028 0.3 . 1 . . . . . 49 HIS CA . 7191 1 403 . 1 1 49 49 HIS CB C 13 31.849 0.3 . 1 . . . . . 49 HIS CB . 7191 1 404 . 1 1 49 49 HIS CD2 C 13 125.249 0.3 . 1 . . . . . 49 HIS CD2 . 7191 1 405 . 1 1 49 49 HIS N N 15 117.750 0.3 . 1 . . . . . 49 HIS N . 7191 1 406 . 1 1 50 50 LEU H H 1 8.816 0.02 . 1 . . . . . 50 LEU H . 7191 1 407 . 1 1 50 50 LEU HA H 1 4.678 0.02 . 1 . . . . . 50 LEU HA . 7191 1 408 . 1 1 50 50 LEU HB2 H 1 1.389 0.02 . 2 . . . . . 50 LEU HB2 . 7191 1 409 . 1 1 50 50 LEU HB3 H 1 1.500 0.02 . 2 . . . . . 50 LEU HB3 . 7191 1 410 . 1 1 50 50 LEU HG H 1 1.427 0.02 . 1 . . . . . 50 LEU HG . 7191 1 411 . 1 1 50 50 LEU HD11 H 1 0.828 0.02 . 2 . . . . . 50 LEU HD1 . 7191 1 412 . 1 1 50 50 LEU HD12 H 1 0.828 0.02 . 2 . . . . . 50 LEU HD1 . 7191 1 413 . 1 1 50 50 LEU HD13 H 1 0.828 0.02 . 2 . . . . . 50 LEU HD1 . 7191 1 414 . 1 1 50 50 LEU HD21 H 1 0.797 0.02 . 2 . . . . . 50 LEU HD2 . 7191 1 415 . 1 1 50 50 LEU HD22 H 1 0.797 0.02 . 2 . . . . . 50 LEU HD2 . 7191 1 416 . 1 1 50 50 LEU HD23 H 1 0.797 0.02 . 2 . . . . . 50 LEU HD2 . 7191 1 417 . 1 1 50 50 LEU C C 13 175.126 0.3 . 1 . . . . . 50 LEU C . 7191 1 418 . 1 1 50 50 LEU CA C 13 53.258 0.3 . 1 . . . . . 50 LEU CA . 7191 1 419 . 1 1 50 50 LEU CB C 13 46.321 0.3 . 1 . . . . . 50 LEU CB . 7191 1 420 . 1 1 50 50 LEU CG C 13 27.104 0.3 . 1 . . . . . 50 LEU CG . 7191 1 421 . 1 1 50 50 LEU CD1 C 13 24.880 0.3 . 1 . . . . . 50 LEU CD1 . 7191 1 422 . 1 1 50 50 LEU CD2 C 13 25.307 0.3 . 1 . . . . . 50 LEU CD2 . 7191 1 423 . 1 1 50 50 LEU N N 15 121.062 0.3 . 1 . . . . . 50 LEU N . 7191 1 424 . 1 1 51 51 VAL H H 1 8.630 0.02 . 1 . . . . . 51 VAL H . 7191 1 425 . 1 1 51 51 VAL HA H 1 5.033 0.02 . 1 . . . . . 51 VAL HA . 7191 1 426 . 1 1 51 51 VAL HB H 1 2.077 0.02 . 1 . . . . . 51 VAL HB . 7191 1 427 . 1 1 51 51 VAL HG11 H 1 0.888 0.02 . 1 . . . . . 51 VAL HG1 . 7191 1 428 . 1 1 51 51 VAL HG12 H 1 0.888 0.02 . 1 . . . . . 51 VAL HG1 . 7191 1 429 . 1 1 51 51 VAL HG13 H 1 0.888 0.02 . 1 . . . . . 51 VAL HG1 . 7191 1 430 . 1 1 51 51 VAL HG21 H 1 1.099 0.02 . 1 . . . . . 51 VAL HG2 . 7191 1 431 . 1 1 51 51 VAL HG22 H 1 1.099 0.02 . 1 . . . . . 51 VAL HG2 . 7191 1 432 . 1 1 51 51 VAL HG23 H 1 1.099 0.02 . 1 . . . . . 51 VAL HG2 . 7191 1 433 . 1 1 51 51 VAL C C 13 175.685 0.3 . 1 . . . . . 51 VAL C . 7191 1 434 . 1 1 51 51 VAL CA C 13 61.051 0.3 . 1 . . . . . 51 VAL CA . 7191 1 435 . 1 1 51 51 VAL CB C 13 32.502 0.3 . 1 . . . . . 51 VAL CB . 7191 1 436 . 1 1 51 51 VAL CG1 C 13 21.983 0.3 . 1 . . . . . 51 VAL CG1 . 7191 1 437 . 1 1 51 51 VAL CG2 C 13 21.532 0.3 . 1 . . . . . 51 VAL CG2 . 7191 1 438 . 1 1 51 51 VAL N N 15 123.893 0.3 . 1 . . . . . 51 VAL N . 7191 1 439 . 1 1 52 52 LEU H H 1 9.121 0.02 . 1 . . . . . 52 LEU H . 7191 1 440 . 1 1 52 52 LEU HA H 1 4.769 0.02 . 1 . . . . . 52 LEU HA . 7191 1 441 . 1 1 52 52 LEU HB2 H 1 1.505 0.02 . 2 . . . . . 52 LEU HB2 . 7191 1 442 . 1 1 52 52 LEU HB3 H 1 1.673 0.02 . 2 . . . . . 52 LEU HB3 . 7191 1 443 . 1 1 52 52 LEU HG H 1 1.530 0.02 . 1 . . . . . 52 LEU HG . 7191 1 444 . 1 1 52 52 LEU HD11 H 1 0.837 0.02 . 1 . . . . . 52 LEU HD1 . 7191 1 445 . 1 1 52 52 LEU HD12 H 1 0.837 0.02 . 1 . . . . . 52 LEU HD1 . 7191 1 446 . 1 1 52 52 LEU HD13 H 1 0.837 0.02 . 1 . . . . . 52 LEU HD1 . 7191 1 447 . 1 1 52 52 LEU HD21 H 1 0.837 0.02 . 1 . . . . . 52 LEU HD2 . 7191 1 448 . 1 1 52 52 LEU HD22 H 1 0.837 0.02 . 1 . . . . . 52 LEU HD2 . 7191 1 449 . 1 1 52 52 LEU HD23 H 1 0.837 0.02 . 1 . . . . . 52 LEU HD2 . 7191 1 450 . 1 1 52 52 LEU C C 13 176.271 0.3 . 1 . . . . . 52 LEU C . 7191 1 451 . 1 1 52 52 LEU CA C 13 53.615 0.3 . 1 . . . . . 52 LEU CA . 7191 1 452 . 1 1 52 52 LEU CB C 13 44.761 0.3 . 1 . . . . . 52 LEU CB . 7191 1 453 . 1 1 52 52 LEU CG C 13 27.067 0.3 . 1 . . . . . 52 LEU CG . 7191 1 454 . 1 1 52 52 LEU CD1 C 13 25.558 0.3 . 1 . . . . . 52 LEU CD1 . 7191 1 455 . 1 1 52 52 LEU CD2 C 13 24.005 0.3 . 1 . . . . . 52 LEU CD2 . 7191 1 456 . 1 1 52 52 LEU N N 15 128.180 0.3 . 1 . . . . . 52 LEU N . 7191 1 457 . 1 1 53 53 ASP H H 1 8.673 0.02 . 1 . . . . . 53 ASP H . 7191 1 458 . 1 1 53 53 ASP HA H 1 4.797 0.02 . 1 . . . . . 53 ASP HA . 7191 1 459 . 1 1 53 53 ASP HB2 H 1 2.635 0.02 . 2 . . . . . 53 ASP HB2 . 7191 1 460 . 1 1 53 53 ASP HB3 H 1 2.772 0.02 . 2 . . . . . 53 ASP HB3 . 7191 1 461 . 1 1 53 53 ASP C C 13 176.667 0.3 . 1 . . . . . 53 ASP C . 7191 1 462 . 1 1 53 53 ASP CA C 13 53.980 0.3 . 1 . . . . . 53 ASP CA . 7191 1 463 . 1 1 53 53 ASP CB C 13 41.614 0.3 . 1 . . . . . 53 ASP CB . 7191 1 464 . 1 1 53 53 ASP N N 15 122.869 0.3 . 1 . . . . . 53 ASP N . 7191 1 465 . 1 1 54 54 GLN H H 1 8.691 0.02 . 1 . . . . . 54 GLN H . 7191 1 466 . 1 1 54 54 GLN HA H 1 4.289 0.02 . 1 . . . . . 54 GLN HA . 7191 1 467 . 1 1 54 54 GLN HB2 H 1 1.936 0.02 . 2 . . . . . 54 GLN HB2 . 7191 1 468 . 1 1 54 54 GLN HB3 H 1 2.080 0.02 . 2 . . . . . 54 GLN HB3 . 7191 1 469 . 1 1 54 54 GLN HG2 H 1 2.303 0.02 . 1 . . . . . 54 GLN HG2 . 7191 1 470 . 1 1 54 54 GLN HG3 H 1 2.303 0.02 . 1 . . . . . 54 GLN HG3 . 7191 1 471 . 1 1 54 54 GLN HE21 H 1 7.495 0.02 . 2 . . . . . 54 GLN HE21 . 7191 1 472 . 1 1 54 54 GLN HE22 H 1 6.847 0.02 . 2 . . . . . 54 GLN HE22 . 7191 1 473 . 1 1 54 54 GLN C C 13 175.437 0.3 . 1 . . . . . 54 GLN C . 7191 1 474 . 1 1 54 54 GLN CA C 13 55.950 0.3 . 1 . . . . . 54 GLN CA . 7191 1 475 . 1 1 54 54 GLN CB C 13 29.859 0.3 . 1 . . . . . 54 GLN CB . 7191 1 476 . 1 1 54 54 GLN CG C 13 34.068 0.3 . 1 . . . . . 54 GLN CG . 7191 1 477 . 1 1 54 54 GLN N N 15 121.062 0.3 . 1 . . . . . 54 GLN N . 7191 1 478 . 1 1 54 54 GLN NE2 N 15 111.373 0.3 . 1 . . . . . 54 GLN NE2 . 7191 1 479 . 1 1 55 55 ASN H H 1 8.569 0.02 . 1 . . . . . 55 ASN H . 7191 1 480 . 1 1 55 55 ASN HA H 1 4.686 0.02 . 1 . . . . . 55 ASN HA . 7191 1 481 . 1 1 55 55 ASN HB2 H 1 2.835 0.02 . 1 . . . . . 55 ASN HB2 . 7191 1 482 . 1 1 55 55 ASN HB3 H 1 2.835 0.02 . 1 . . . . . 55 ASN HB3 . 7191 1 483 . 1 1 55 55 ASN HD21 H 1 7.770 0.02 . 2 . . . . . 55 ASN HD21 . 7191 1 484 . 1 1 55 55 ASN HD22 H 1 7.126 0.02 . 2 . . . . . 55 ASN HD22 . 7191 1 485 . 1 1 55 55 ASN C C 13 175.229 0.3 . 1 . . . . . 55 ASN C . 7191 1 486 . 1 1 55 55 ASN CA C 13 53.452 0.3 . 1 . . . . . 55 ASN CA . 7191 1 487 . 1 1 55 55 ASN CB C 13 39.052 0.3 . 1 . . . . . 55 ASN CB . 7191 1 488 . 1 1 55 55 ASN N N 15 119.799 0.3 . 1 . . . . . 55 ASN N . 7191 1 489 . 1 1 55 55 ASN ND2 N 15 113.751 0.3 . 1 . . . . . 55 ASN ND2 . 7191 1 490 . 1 1 56 56 MET H H 1 8.368 0.02 . 1 . . . . . 56 MET H . 7191 1 491 . 1 1 56 56 MET HA H 1 4.572 0.02 . 1 . . . . . 56 MET HA . 7191 1 492 . 1 1 56 56 MET HB2 H 1 2.051 0.02 . 2 . . . . . 56 MET HB2 . 7191 1 493 . 1 1 56 56 MET HB3 H 1 2.146 0.02 . 2 . . . . . 56 MET HB3 . 7191 1 494 . 1 1 56 56 MET HG2 H 1 2.527 0.02 . 2 . . . . . 56 MET HG2 . 7191 1 495 . 1 1 56 56 MET HG3 H 1 2.610 0.02 . 2 . . . . . 56 MET HG3 . 7191 1 496 . 1 1 56 56 MET C C 13 176.001 0.3 . 1 . . . . . 56 MET C . 7191 1 497 . 1 1 56 56 MET CA C 13 55.274 0.3 . 1 . . . . . 56 MET CA . 7191 1 498 . 1 1 56 56 MET CB C 13 32.941 0.3 . 1 . . . . . 56 MET CB . 7191 1 499 . 1 1 56 56 MET CG C 13 32.049 0.3 . 1 . . . . . 56 MET CG . 7191 1 500 . 1 1 56 56 MET N N 15 120.302 0.3 . 1 . . . . . 56 MET N . 7191 1 501 . 1 1 57 57 SER H H 1 8.407 0.02 . 1 . . . . . 57 SER H . 7191 1 502 . 1 1 57 57 SER HA H 1 4.530 0.02 . 1 . . . . . 57 SER HA . 7191 1 503 . 1 1 57 57 SER HB2 H 1 3.896 0.02 . 1 . . . . . 57 SER HB2 . 7191 1 504 . 1 1 57 57 SER HB3 H 1 3.896 0.02 . 1 . . . . . 57 SER HB3 . 7191 1 505 . 1 1 57 57 SER C C 13 174.617 0.3 . 1 . . . . . 57 SER C . 7191 1 506 . 1 1 57 57 SER CA C 13 57.959 0.3 . 1 . . . . . 57 SER CA . 7191 1 507 . 1 1 57 57 SER CB C 13 63.655 0.3 . 1 . . . . . 57 SER CB . 7191 1 508 . 1 1 57 57 SER N N 15 116.532 0.3 . 1 . . . . . 57 SER N . 7191 1 509 . 1 1 58 58 ILE H H 1 8.120 0.02 . 1 . . . . . 58 ILE H . 7191 1 510 . 1 1 58 58 ILE HA H 1 4.243 0.02 . 1 . . . . . 58 ILE HA . 7191 1 511 . 1 1 58 58 ILE HB H 1 1.930 0.02 . 1 . . . . . 58 ILE HB . 7191 1 512 . 1 1 58 58 ILE HG12 H 1 1.462 0.02 . 2 . . . . . 58 ILE HG12 . 7191 1 513 . 1 1 58 58 ILE HG13 H 1 1.188 0.02 . 2 . . . . . 58 ILE HG13 . 7191 1 514 . 1 1 58 58 ILE HG21 H 1 0.915 0.02 . 1 . . . . . 58 ILE HG2 . 7191 1 515 . 1 1 58 58 ILE HG22 H 1 0.915 0.02 . 1 . . . . . 58 ILE HG2 . 7191 1 516 . 1 1 58 58 ILE HG23 H 1 0.915 0.02 . 1 . . . . . 58 ILE HG2 . 7191 1 517 . 1 1 58 58 ILE HD11 H 1 0.874 0.02 . 1 . . . . . 58 ILE HD1 . 7191 1 518 . 1 1 58 58 ILE HD12 H 1 0.874 0.02 . 1 . . . . . 58 ILE HD1 . 7191 1 519 . 1 1 58 58 ILE HD13 H 1 0.874 0.02 . 1 . . . . . 58 ILE HD1 . 7191 1 520 . 1 1 58 58 ILE C C 13 176.319 0.3 . 1 . . . . . 58 ILE C . 7191 1 521 . 1 1 58 58 ILE CA C 13 61.288 0.3 . 1 . . . . . 58 ILE CA . 7191 1 522 . 1 1 58 58 ILE CB C 13 38.500 0.3 . 1 . . . . . 58 ILE CB . 7191 1 523 . 1 1 58 58 ILE CG1 C 13 27.342 0.3 . 1 . . . . . 58 ILE CG1 . 7191 1 524 . 1 1 58 58 ILE CG2 C 13 17.910 0.3 . 1 . . . . . 58 ILE CG2 . 7191 1 525 . 1 1 58 58 ILE CD1 C 13 13.478 0.3 . 1 . . . . . 58 ILE CD1 . 7191 1 526 . 1 1 58 58 ILE N N 15 121.573 0.3 . 1 . . . . . 58 ILE N . 7191 1 527 . 1 1 59 59 LEU H H 1 8.209 0.02 . 1 . . . . . 59 LEU H . 7191 1 528 . 1 1 59 59 LEU HA H 1 4.382 0.02 . 1 . . . . . 59 LEU HA . 7191 1 529 . 1 1 59 59 LEU HB2 H 1 1.607 0.02 . 2 . . . . . 59 LEU HB2 . 7191 1 530 . 1 1 59 59 LEU HB3 H 1 1.659 0.02 . 2 . . . . . 59 LEU HB3 . 7191 1 531 . 1 1 59 59 LEU HG H 1 1.624 0.02 . 1 . . . . . 59 LEU HG . 7191 1 532 . 1 1 59 59 LEU HD11 H 1 0.942 0.02 . 1 . . . . . 59 LEU HD1 . 7191 1 533 . 1 1 59 59 LEU HD12 H 1 0.942 0.02 . 1 . . . . . 59 LEU HD1 . 7191 1 534 . 1 1 59 59 LEU HD13 H 1 0.942 0.02 . 1 . . . . . 59 LEU HD1 . 7191 1 535 . 1 1 59 59 LEU HD21 H 1 0.884 0.02 . 1 . . . . . 59 LEU HD2 . 7191 1 536 . 1 1 59 59 LEU HD22 H 1 0.884 0.02 . 1 . . . . . 59 LEU HD2 . 7191 1 537 . 1 1 59 59 LEU HD23 H 1 0.884 0.02 . 1 . . . . . 59 LEU HD2 . 7191 1 538 . 1 1 59 59 LEU C C 13 177.370 0.3 . 1 . . . . . 59 LEU C . 7191 1 539 . 1 1 59 59 LEU CA C 13 55.046 0.3 . 1 . . . . . 59 LEU CA . 7191 1 540 . 1 1 59 59 LEU CB C 13 42.342 0.3 . 1 . . . . . 59 LEU CB . 7191 1 541 . 1 1 59 59 LEU CG C 13 27.070 0.3 . 1 . . . . . 59 LEU CG . 7191 1 542 . 1 1 59 59 LEU CD1 C 13 25.059 0.3 . 1 . . . . . 59 LEU CD1 . 7191 1 543 . 1 1 59 59 LEU CD2 C 13 23.546 0.3 . 1 . . . . . 59 LEU CD2 . 7191 1 544 . 1 1 59 59 LEU N N 15 124.837 0.3 . 1 . . . . . 59 LEU N . 7191 1 545 . 1 1 60 60 GLU H H 1 8.351 0.02 . 1 . . . . . 60 GLU H . 7191 1 546 . 1 1 60 60 GLU HA H 1 4.244 0.02 . 1 . . . . . 60 GLU HA . 7191 1 547 . 1 1 60 60 GLU HB2 H 1 2.002 0.02 . 2 . . . . . 60 GLU HB2 . 7191 1 548 . 1 1 60 60 GLU HB3 H 1 2.077 0.02 . 2 . . . . . 60 GLU HB3 . 7191 1 549 . 1 1 60 60 GLU HG2 H 1 2.280 0.02 . 1 . . . . . 60 GLU HG2 . 7191 1 550 . 1 1 60 60 GLU HG3 H 1 2.280 0.02 . 1 . . . . . 60 GLU HG3 . 7191 1 551 . 1 1 60 60 GLU C C 13 177.114 0.3 . 1 . . . . . 60 GLU C . 7191 1 552 . 1 1 60 60 GLU CA C 13 56.863 0.3 . 1 . . . . . 60 GLU CA . 7191 1 553 . 1 1 60 60 GLU CB C 13 29.900 0.3 . 1 . . . . . 60 GLU CB . 7191 1 554 . 1 1 60 60 GLU CG C 13 36.276 0.3 . 1 . . . . . 60 GLU CG . 7191 1 555 . 1 1 60 60 GLU N N 15 121.494 0.3 . 1 . . . . . 60 GLU N . 7191 1 556 . 1 1 61 61 GLY H H 1 8.438 0.02 . 1 . . . . . 61 GLY H . 7191 1 557 . 1 1 61 61 GLY HA2 H 1 3.916 0.02 . 2 . . . . . 61 GLY HA2 . 7191 1 558 . 1 1 61 61 GLY HA3 H 1 4.103 0.02 . 2 . . . . . 61 GLY HA3 . 7191 1 559 . 1 1 61 61 GLY C C 13 174.454 0.3 . 1 . . . . . 61 GLY C . 7191 1 560 . 1 1 61 61 GLY CA C 13 45.490 0.3 . 1 . . . . . 61 GLY CA . 7191 1 561 . 1 1 61 61 GLY N N 15 109.778 0.3 . 1 . . . . . 61 GLY N . 7191 1 562 . 1 1 62 62 SER H H 1 8.149 0.02 . 1 . . . . . 62 SER H . 7191 1 563 . 1 1 62 62 SER HA H 1 4.509 0.02 . 1 . . . . . 62 SER HA . 7191 1 564 . 1 1 62 62 SER HB2 H 1 3.916 0.02 . 1 . . . . . 62 SER HB2 . 7191 1 565 . 1 1 62 62 SER HB3 H 1 3.916 0.02 . 1 . . . . . 62 SER HB3 . 7191 1 566 . 1 1 62 62 SER C C 13 174.570 0.3 . 1 . . . . . 62 SER C . 7191 1 567 . 1 1 62 62 SER CA C 13 57.968 0.3 . 1 . . . . . 62 SER CA . 7191 1 568 . 1 1 62 62 SER CB C 13 63.549 0.3 . 1 . . . . . 62 SER CB . 7191 1 569 . 1 1 62 62 SER N N 15 115.445 0.3 . 1 . . . . . 62 SER N . 7191 1 570 . 1 1 63 63 LEU H H 1 8.319 0.02 . 1 . . . . . 63 LEU H . 7191 1 571 . 1 1 63 63 LEU HA H 1 4.423 0.02 . 1 . . . . . 63 LEU HA . 7191 1 572 . 1 1 63 63 LEU HB2 H 1 1.654 0.02 . 2 . . . . . 63 LEU HB2 . 7191 1 573 . 1 1 63 63 LEU HB3 H 1 1.724 0.02 . 2 . . . . . 63 LEU HB3 . 7191 1 574 . 1 1 63 63 LEU HG H 1 1.669 0.02 . 1 . . . . . 63 LEU HG . 7191 1 575 . 1 1 63 63 LEU HD11 H 1 0.944 0.02 . 1 . . . . . 63 LEU HD1 . 7191 1 576 . 1 1 63 63 LEU HD12 H 1 0.944 0.02 . 1 . . . . . 63 LEU HD1 . 7191 1 577 . 1 1 63 63 LEU HD13 H 1 0.944 0.02 . 1 . . . . . 63 LEU HD1 . 7191 1 578 . 1 1 63 63 LEU HD21 H 1 0.894 0.02 . 1 . . . . . 63 LEU HD2 . 7191 1 579 . 1 1 63 63 LEU HD22 H 1 0.894 0.02 . 1 . . . . . 63 LEU HD2 . 7191 1 580 . 1 1 63 63 LEU HD23 H 1 0.894 0.02 . 1 . . . . . 63 LEU HD2 . 7191 1 581 . 1 1 63 63 LEU C C 13 177.720 0.3 . 1 . . . . . 63 LEU C . 7191 1 582 . 1 1 63 63 LEU CA C 13 55.071 0.3 . 1 . . . . . 63 LEU CA . 7191 1 583 . 1 1 63 63 LEU CB C 13 42.513 0.3 . 1 . . . . . 63 LEU CB . 7191 1 584 . 1 1 63 63 LEU CG C 13 26.905 0.3 . 1 . . . . . 63 LEU CG . 7191 1 585 . 1 1 63 63 LEU CD1 C 13 25.067 0.3 . 1 . . . . . 63 LEU CD1 . 7191 1 586 . 1 1 63 63 LEU CD2 C 13 23.522 0.3 . 1 . . . . . 63 LEU CD2 . 7191 1 587 . 1 1 63 63 LEU N N 15 123.516 0.3 . 1 . . . . . 63 LEU N . 7191 1 588 . 1 1 64 64 GLY H H 1 8.351 0.02 . 1 . . . . . 64 GLY H . 7191 1 589 . 1 1 64 64 GLY HA2 H 1 3.995 0.02 . 1 . . . . . 64 GLY HA2 . 7191 1 590 . 1 1 64 64 GLY HA3 H 1 3.995 0.02 . 1 . . . . . 64 GLY HA3 . 7191 1 591 . 1 1 64 64 GLY C C 13 173.616 0.3 . 1 . . . . . 64 GLY C . 7191 1 592 . 1 1 64 64 GLY CA C 13 45.234 0.3 . 1 . . . . . 64 GLY CA . 7191 1 593 . 1 1 64 64 GLY N N 15 109.416 0.3 . 1 . . . . . 64 GLY N . 7191 1 594 . 1 1 65 65 VAL H H 1 7.984 0.02 . 1 . . . . . 65 VAL H . 7191 1 595 . 1 1 65 65 VAL HA H 1 4.211 0.02 . 1 . . . . . 65 VAL HA . 7191 1 596 . 1 1 65 65 VAL HB H 1 2.076 0.02 . 1 . . . . . 65 VAL HB . 7191 1 597 . 1 1 65 65 VAL HG11 H 1 0.932 0.02 . 1 . . . . . 65 VAL HG1 . 7191 1 598 . 1 1 65 65 VAL HG12 H 1 0.932 0.02 . 1 . . . . . 65 VAL HG1 . 7191 1 599 . 1 1 65 65 VAL HG13 H 1 0.932 0.02 . 1 . . . . . 65 VAL HG1 . 7191 1 600 . 1 1 65 65 VAL HG21 H 1 0.955 0.02 . 1 . . . . . 65 VAL HG2 . 7191 1 601 . 1 1 65 65 VAL HG22 H 1 0.955 0.02 . 1 . . . . . 65 VAL HG2 . 7191 1 602 . 1 1 65 65 VAL HG23 H 1 0.955 0.02 . 1 . . . . . 65 VAL HG2 . 7191 1 603 . 1 1 65 65 VAL C C 13 176.063 0.3 . 1 . . . . . 65 VAL C . 7191 1 604 . 1 1 65 65 VAL CA C 13 61.770 0.3 . 1 . . . . . 65 VAL CA . 7191 1 605 . 1 1 65 65 VAL CB C 13 32.817 0.3 . 1 . . . . . 65 VAL CB . 7191 1 606 . 1 1 65 65 VAL CG1 C 13 21.504 0.3 . 1 . . . . . 65 VAL CG1 . 7191 1 607 . 1 1 65 65 VAL CG2 C 13 20.864 0.3 . 1 . . . . . 65 VAL CG2 . 7191 1 608 . 1 1 65 65 VAL N N 15 119.283 0.3 . 1 . . . . . 65 VAL N . 7191 1 609 . 1 1 66 66 ILE H H 1 8.477 0.02 . 1 . . . . . 66 ILE H . 7191 1 610 . 1 1 66 66 ILE HA H 1 4.484 0.02 . 1 . . . . . 66 ILE HA . 7191 1 611 . 1 1 66 66 ILE HB H 1 1.845 0.02 . 1 . . . . . 66 ILE HB . 7191 1 612 . 1 1 66 66 ILE HG12 H 1 1.196 0.02 . 2 . . . . . 66 ILE HG12 . 7191 1 613 . 1 1 66 66 ILE HG13 H 1 1.568 0.02 . 2 . . . . . 66 ILE HG13 . 7191 1 614 . 1 1 66 66 ILE HG21 H 1 0.991 0.02 . 1 . . . . . 66 ILE HG2 . 7191 1 615 . 1 1 66 66 ILE HG22 H 1 0.991 0.02 . 1 . . . . . 66 ILE HG2 . 7191 1 616 . 1 1 66 66 ILE HG23 H 1 0.991 0.02 . 1 . . . . . 66 ILE HG2 . 7191 1 617 . 1 1 66 66 ILE HD11 H 1 0.852 0.02 . 1 . . . . . 66 ILE HD1 . 7191 1 618 . 1 1 66 66 ILE HD12 H 1 0.852 0.02 . 1 . . . . . 66 ILE HD1 . 7191 1 619 . 1 1 66 66 ILE HD13 H 1 0.852 0.02 . 1 . . . . . 66 ILE HD1 . 7191 1 620 . 1 1 66 66 ILE CA C 13 58.335 0.3 . 1 . . . . . 66 ILE CA . 7191 1 621 . 1 1 66 66 ILE CB C 13 38.956 0.3 . 1 . . . . . 66 ILE CB . 7191 1 622 . 1 1 66 66 ILE CG1 C 13 27.336 0.3 . 1 . . . . . 66 ILE CG1 . 7191 1 623 . 1 1 66 66 ILE CG2 C 13 17.339 0.3 . 1 . . . . . 66 ILE CG2 . 7191 1 624 . 1 1 66 66 ILE CD1 C 13 13.220 0.3 . 1 . . . . . 66 ILE CD1 . 7191 1 625 . 1 1 66 66 ILE N N 15 127.247 0.3 . 1 . . . . . 66 ILE N . 7191 1 626 . 1 1 67 67 PRO HA H 1 4.311 0.02 . 1 . . . . . 67 PRO HA . 7191 1 627 . 1 1 67 67 PRO HB2 H 1 1.662 0.02 . 2 . . . . . 67 PRO HB2 . 7191 1 628 . 1 1 67 67 PRO HB3 H 1 2.042 0.02 . 2 . . . . . 67 PRO HB3 . 7191 1 629 . 1 1 67 67 PRO HG2 H 1 1.948 0.02 . 2 . . . . . 67 PRO HG2 . 7191 1 630 . 1 1 67 67 PRO HG3 H 1 1.998 0.02 . 2 . . . . . 67 PRO HG3 . 7191 1 631 . 1 1 67 67 PRO HD2 H 1 3.654 0.02 . 2 . . . . . 67 PRO HD2 . 7191 1 632 . 1 1 67 67 PRO HD3 H 1 4.032 0.02 . 2 . . . . . 67 PRO HD3 . 7191 1 633 . 1 1 67 67 PRO C C 13 175.590 0.3 . 1 . . . . . 67 PRO C . 7191 1 634 . 1 1 67 67 PRO CA C 13 62.615 0.3 . 1 . . . . . 67 PRO CA . 7191 1 635 . 1 1 67 67 PRO CB C 13 32.172 0.3 . 1 . . . . . 67 PRO CB . 7191 1 636 . 1 1 67 67 PRO CG C 13 27.573 0.3 . 1 . . . . . 67 PRO CG . 7191 1 637 . 1 1 67 67 PRO CD C 13 51.007 0.3 . 1 . . . . . 67 PRO CD . 7191 1 638 . 1 1 68 68 ARG H H 1 7.957 0.02 . 1 . . . . . 68 ARG H . 7191 1 639 . 1 1 68 68 ARG HA H 1 4.647 0.02 . 1 . . . . . 68 ARG HA . 7191 1 640 . 1 1 68 68 ARG HB2 H 1 1.701 0.02 . 2 . . . . . 68 ARG HB2 . 7191 1 641 . 1 1 68 68 ARG HB3 H 1 1.905 0.02 . 2 . . . . . 68 ARG HB3 . 7191 1 642 . 1 1 68 68 ARG HG2 H 1 1.770 0.02 . 2 . . . . . 68 ARG HG2 . 7191 1 643 . 1 1 68 68 ARG HG3 H 1 1.887 0.02 . 2 . . . . . 68 ARG HG3 . 7191 1 644 . 1 1 68 68 ARG HD2 H 1 3.106 0.02 . 2 . . . . . 68 ARG HD2 . 7191 1 645 . 1 1 68 68 ARG HD3 H 1 3.213 0.02 . 2 . . . . . 68 ARG HD3 . 7191 1 646 . 1 1 68 68 ARG C C 13 175.386 0.3 . 1 . . . . . 68 ARG C . 7191 1 647 . 1 1 68 68 ARG CA C 13 55.940 0.3 . 1 . . . . . 68 ARG CA . 7191 1 648 . 1 1 68 68 ARG CB C 13 31.997 0.3 . 1 . . . . . 68 ARG CB . 7191 1 649 . 1 1 68 68 ARG CG C 13 28.444 0.3 . 1 . . . . . 68 ARG CG . 7191 1 650 . 1 1 68 68 ARG CD C 13 43.630 0.3 . 1 . . . . . 68 ARG CD . 7191 1 651 . 1 1 68 68 ARG N N 15 121.130 0.3 . 1 . . . . . 68 ARG N . 7191 1 652 . 1 1 69 69 ARG H H 1 8.428 0.02 . 1 . . . . . 69 ARG H . 7191 1 653 . 1 1 69 69 ARG HA H 1 4.942 0.02 . 1 . . . . . 69 ARG HA . 7191 1 654 . 1 1 69 69 ARG HB2 H 1 1.614 0.02 . 2 . . . . . 69 ARG HB2 . 7191 1 655 . 1 1 69 69 ARG HB3 H 1 1.665 0.02 . 2 . . . . . 69 ARG HB3 . 7191 1 656 . 1 1 69 69 ARG HG2 H 1 1.581 0.02 . 2 . . . . . 69 ARG HG2 . 7191 1 657 . 1 1 69 69 ARG HG3 H 1 1.622 0.02 . 2 . . . . . 69 ARG HG3 . 7191 1 658 . 1 1 69 69 ARG HD2 H 1 3.073 0.02 . 1 . . . . . 69 ARG HD2 . 7191 1 659 . 1 1 69 69 ARG HD3 H 1 3.073 0.02 . 1 . . . . . 69 ARG HD3 . 7191 1 660 . 1 1 69 69 ARG C C 13 174.716 0.3 . 1 . . . . . 69 ARG C . 7191 1 661 . 1 1 69 69 ARG CA C 13 54.372 0.3 . 1 . . . . . 69 ARG CA . 7191 1 662 . 1 1 69 69 ARG CB C 13 34.030 0.3 . 1 . . . . . 69 ARG CB . 7191 1 663 . 1 1 69 69 ARG CG C 13 27.106 0.3 . 1 . . . . . 69 ARG CG . 7191 1 664 . 1 1 69 69 ARG CD C 13 44.329 0.3 . 1 . . . . . 69 ARG CD . 7191 1 665 . 1 1 69 69 ARG N N 15 118.247 0.3 . 1 . . . . . 69 ARG N . 7191 1 666 . 1 1 70 70 VAL H H 1 8.770 0.02 . 1 . . . . . 70 VAL H . 7191 1 667 . 1 1 70 70 VAL HA H 1 4.854 0.02 . 1 . . . . . 70 VAL HA . 7191 1 668 . 1 1 70 70 VAL HB H 1 1.978 0.02 . 1 . . . . . 70 VAL HB . 7191 1 669 . 1 1 70 70 VAL HG11 H 1 0.759 0.02 . 1 . . . . . 70 VAL HG1 . 7191 1 670 . 1 1 70 70 VAL HG12 H 1 0.759 0.02 . 1 . . . . . 70 VAL HG1 . 7191 1 671 . 1 1 70 70 VAL HG13 H 1 0.759 0.02 . 1 . . . . . 70 VAL HG1 . 7191 1 672 . 1 1 70 70 VAL HG21 H 1 0.849 0.02 . 1 . . . . . 70 VAL HG2 . 7191 1 673 . 1 1 70 70 VAL HG22 H 1 0.849 0.02 . 1 . . . . . 70 VAL HG2 . 7191 1 674 . 1 1 70 70 VAL HG23 H 1 0.849 0.02 . 1 . . . . . 70 VAL HG2 . 7191 1 675 . 1 1 70 70 VAL C C 13 174.704 0.3 . 1 . . . . . 70 VAL C . 7191 1 676 . 1 1 70 70 VAL CA C 13 61.311 0.3 . 1 . . . . . 70 VAL CA . 7191 1 677 . 1 1 70 70 VAL CB C 13 32.741 0.3 . 1 . . . . . 70 VAL CB . 7191 1 678 . 1 1 70 70 VAL CG1 C 13 21.540 0.3 . 1 . . . . . 70 VAL CG1 . 7191 1 679 . 1 1 70 70 VAL CG2 C 13 21.736 0.3 . 1 . . . . . 70 VAL CG2 . 7191 1 680 . 1 1 70 70 VAL N N 15 120.981 0.3 . 1 . . . . . 70 VAL N . 7191 1 681 . 1 1 71 71 LEU H H 1 9.547 0.02 . 1 . . . . . 71 LEU H . 7191 1 682 . 1 1 71 71 LEU HA H 1 5.407 0.02 . 1 . . . . . 71 LEU HA . 7191 1 683 . 1 1 71 71 LEU HB2 H 1 1.634 0.02 . 1 . . . . . 71 LEU HB2 . 7191 1 684 . 1 1 71 71 LEU HB3 H 1 1.429 0.02 . 1 . . . . . 71 LEU HB3 . 7191 1 685 . 1 1 71 71 LEU HG H 1 1.520 0.02 . 1 . . . . . 71 LEU HG . 7191 1 686 . 1 1 71 71 LEU HD11 H 1 0.762 0.02 . 1 . . . . . 71 LEU HD1 . 7191 1 687 . 1 1 71 71 LEU HD12 H 1 0.762 0.02 . 1 . . . . . 71 LEU HD1 . 7191 1 688 . 1 1 71 71 LEU HD13 H 1 0.762 0.02 . 1 . . . . . 71 LEU HD1 . 7191 1 689 . 1 1 71 71 LEU HD21 H 1 0.662 0.02 . 1 . . . . . 71 LEU HD2 . 7191 1 690 . 1 1 71 71 LEU HD22 H 1 0.662 0.02 . 1 . . . . . 71 LEU HD2 . 7191 1 691 . 1 1 71 71 LEU HD23 H 1 0.662 0.02 . 1 . . . . . 71 LEU HD2 . 7191 1 692 . 1 1 71 71 LEU C C 13 176.185 0.3 . 1 . . . . . 71 LEU C . 7191 1 693 . 1 1 71 71 LEU CA C 13 53.280 0.3 . 1 . . . . . 71 LEU CA . 7191 1 694 . 1 1 71 71 LEU CB C 13 44.783 0.3 . 1 . . . . . 71 LEU CB . 7191 1 695 . 1 1 71 71 LEU CG C 13 28.457 0.3 . 1 . . . . . 71 LEU CG . 7191 1 696 . 1 1 71 71 LEU CD1 C 13 26.225 0.3 . 1 . . . . . 71 LEU CD1 . 7191 1 697 . 1 1 71 71 LEU CD2 C 13 24.203 0.3 . 1 . . . . . 71 LEU CD2 . 7191 1 698 . 1 1 71 71 LEU N N 15 129.030 0.3 . 1 . . . . . 71 LEU N . 7191 1 699 . 1 1 72 72 VAL H H 1 8.840 0.02 . 1 . . . . . 72 VAL H . 7191 1 700 . 1 1 72 72 VAL HA H 1 4.818 0.02 . 1 . . . . . 72 VAL HA . 7191 1 701 . 1 1 72 72 VAL HB H 1 2.400 0.02 . 1 . . . . . 72 VAL HB . 7191 1 702 . 1 1 72 72 VAL HG11 H 1 0.972 0.02 . 1 . . . . . 72 VAL HG1 . 7191 1 703 . 1 1 72 72 VAL HG12 H 1 0.972 0.02 . 1 . . . . . 72 VAL HG1 . 7191 1 704 . 1 1 72 72 VAL HG13 H 1 0.972 0.02 . 1 . . . . . 72 VAL HG1 . 7191 1 705 . 1 1 72 72 VAL HG21 H 1 0.704 0.02 . 1 . . . . . 72 VAL HG2 . 7191 1 706 . 1 1 72 72 VAL HG22 H 1 0.704 0.02 . 1 . . . . . 72 VAL HG2 . 7191 1 707 . 1 1 72 72 VAL HG23 H 1 0.704 0.02 . 1 . . . . . 72 VAL HG2 . 7191 1 708 . 1 1 72 72 VAL C C 13 174.231 0.3 . 1 . . . . . 72 VAL C . 7191 1 709 . 1 1 72 72 VAL CA C 13 57.809 0.3 . 1 . . . . . 72 VAL CA . 7191 1 710 . 1 1 72 72 VAL CB C 13 35.979 0.3 . 1 . . . . . 72 VAL CB . 7191 1 711 . 1 1 72 72 VAL CG1 C 13 22.840 0.3 . 1 . . . . . 72 VAL CG1 . 7191 1 712 . 1 1 72 72 VAL CG2 C 13 19.290 0.3 . 1 . . . . . 72 VAL CG2 . 7191 1 713 . 1 1 72 72 VAL N N 15 111.059 0.3 . 1 . . . . . 72 VAL N . 7191 1 714 . 1 1 73 73 HIS H H 1 10.034 0.02 . 1 . . . . . 73 HIS H . 7191 1 715 . 1 1 73 73 HIS HA H 1 4.278 0.02 . 1 . . . . . 73 HIS HA . 7191 1 716 . 1 1 73 73 HIS HB2 H 1 2.930 0.02 . 2 . . . . . 73 HIS HB2 . 7191 1 717 . 1 1 73 73 HIS HB3 H 1 3.090 0.02 . 2 . . . . . 73 HIS HB3 . 7191 1 718 . 1 1 73 73 HIS HD2 H 1 7.039 0.02 . 1 . . . . . 73 HIS HD2 . 7191 1 719 . 1 1 73 73 HIS C C 13 177.744 0.3 . 1 . . . . . 73 HIS C . 7191 1 720 . 1 1 73 73 HIS CA C 13 59.180 0.3 . 1 . . . . . 73 HIS CA . 7191 1 721 . 1 1 73 73 HIS CB C 13 31.130 0.3 . 1 . . . . . 73 HIS CB . 7191 1 722 . 1 1 73 73 HIS CD2 C 13 117.665 0.3 . 1 . . . . . 73 HIS CD2 . 7191 1 723 . 1 1 73 73 HIS N N 15 123.885 0.3 . 1 . . . . . 73 HIS N . 7191 1 724 . 1 1 74 74 GLU H H 1 8.461 0.02 . 1 . . . . . 74 GLU H . 7191 1 725 . 1 1 74 74 GLU HA H 1 3.817 0.02 . 1 . . . . . 74 GLU HA . 7191 1 726 . 1 1 74 74 GLU HB2 H 1 1.869 0.02 . 2 . . . . . 74 GLU HB2 . 7191 1 727 . 1 1 74 74 GLU HB3 H 1 2.022 0.02 . 2 . . . . . 74 GLU HB3 . 7191 1 728 . 1 1 74 74 GLU HG2 H 1 2.178 0.02 . 1 . . . . . 74 GLU HG2 . 7191 1 729 . 1 1 74 74 GLU HG3 H 1 2.178 0.02 . 1 . . . . . 74 GLU HG3 . 7191 1 730 . 1 1 74 74 GLU C C 13 178.110 0.3 . 1 . . . . . 74 GLU C . 7191 1 731 . 1 1 74 74 GLU CA C 13 59.548 0.3 . 1 . . . . . 74 GLU CA . 7191 1 732 . 1 1 74 74 GLU CB C 13 29.352 0.3 . 1 . . . . . 74 GLU CB . 7191 1 733 . 1 1 74 74 GLU CG C 13 35.167 0.3 . 1 . . . . . 74 GLU CG . 7191 1 734 . 1 1 74 74 GLU N N 15 126.492 0.3 . 1 . . . . . 74 GLU N . 7191 1 735 . 1 1 75 75 ASP H H 1 11.133 0.02 . 1 . . . . . 75 ASP H . 7191 1 736 . 1 1 75 75 ASP HA H 1 4.578 0.02 . 1 . . . . . 75 ASP HA . 7191 1 737 . 1 1 75 75 ASP HB2 H 1 2.822 0.02 . 1 . . . . . 75 ASP HB2 . 7191 1 738 . 1 1 75 75 ASP HB3 H 1 2.822 0.02 . 1 . . . . . 75 ASP HB3 . 7191 1 739 . 1 1 75 75 ASP C C 13 177.533 0.3 . 1 . . . . . 75 ASP C . 7191 1 740 . 1 1 75 75 ASP CA C 13 56.834 0.3 . 1 . . . . . 75 ASP CA . 7191 1 741 . 1 1 75 75 ASP CB C 13 40.077 0.3 . 1 . . . . . 75 ASP CB . 7191 1 742 . 1 1 75 75 ASP N N 15 123.403 0.3 . 1 . . . . . 75 ASP N . 7191 1 743 . 1 1 76 76 ASP H H 1 8.326 0.02 . 1 . . . . . 76 ASP H . 7191 1 744 . 1 1 76 76 ASP HA H 1 5.096 0.02 . 1 . . . . . 76 ASP HA . 7191 1 745 . 1 1 76 76 ASP HB2 H 1 2.784 0.02 . 2 . . . . . 76 ASP HB2 . 7191 1 746 . 1 1 76 76 ASP HB3 H 1 2.992 0.02 . 2 . . . . . 76 ASP HB3 . 7191 1 747 . 1 1 76 76 ASP C C 13 176.305 0.3 . 1 . . . . . 76 ASP C . 7191 1 748 . 1 1 76 76 ASP CA C 13 54.166 0.3 . 1 . . . . . 76 ASP CA . 7191 1 749 . 1 1 76 76 ASP CB C 13 43.650 0.3 . 1 . . . . . 76 ASP CB . 7191 1 750 . 1 1 76 76 ASP N N 15 117.206 0.3 . 1 . . . . . 76 ASP N . 7191 1 751 . 1 1 77 77 LEU H H 1 7.391 0.02 . 1 . . . . . 77 LEU H . 7191 1 752 . 1 1 77 77 LEU HA H 1 3.870 0.02 . 1 . . . . . 77 LEU HA . 7191 1 753 . 1 1 77 77 LEU HB2 H 1 1.320 0.02 . 2 . . . . . 77 LEU HB2 . 7191 1 754 . 1 1 77 77 LEU HB3 H 1 1.952 0.02 . 2 . . . . . 77 LEU HB3 . 7191 1 755 . 1 1 77 77 LEU HG H 1 1.484 0.02 . 1 . . . . . 77 LEU HG . 7191 1 756 . 1 1 77 77 LEU HD11 H 1 0.807 0.02 . 1 . . . . . 77 LEU HD1 . 7191 1 757 . 1 1 77 77 LEU HD12 H 1 0.807 0.02 . 1 . . . . . 77 LEU HD1 . 7191 1 758 . 1 1 77 77 LEU HD13 H 1 0.807 0.02 . 1 . . . . . 77 LEU HD1 . 7191 1 759 . 1 1 77 77 LEU HD21 H 1 0.872 0.02 . 1 . . . . . 77 LEU HD2 . 7191 1 760 . 1 1 77 77 LEU HD22 H 1 0.872 0.02 . 1 . . . . . 77 LEU HD2 . 7191 1 761 . 1 1 77 77 LEU HD23 H 1 0.872 0.02 . 1 . . . . . 77 LEU HD2 . 7191 1 762 . 1 1 77 77 LEU C C 13 177.558 0.3 . 1 . . . . . 77 LEU C . 7191 1 763 . 1 1 77 77 LEU CA C 13 58.845 0.3 . 1 . . . . . 77 LEU CA . 7191 1 764 . 1 1 77 77 LEU CB C 13 42.757 0.3 . 1 . . . . . 77 LEU CB . 7191 1 765 . 1 1 77 77 LEU CG C 13 26.647 0.3 . 1 . . . . . 77 LEU CG . 7191 1 766 . 1 1 77 77 LEU CD1 C 13 23.336 0.3 . 1 . . . . . 77 LEU CD1 . 7191 1 767 . 1 1 77 77 LEU CD2 C 13 25.539 0.3 . 1 . . . . . 77 LEU CD2 . 7191 1 768 . 1 1 77 77 LEU N N 15 123.133 0.3 . 1 . . . . . 77 LEU N . 7191 1 769 . 1 1 78 78 ALA H H 1 9.051 0.02 . 1 . . . . . 78 ALA H . 7191 1 770 . 1 1 78 78 ALA HA H 1 4.101 0.02 . 1 . . . . . 78 ALA HA . 7191 1 771 . 1 1 78 78 ALA HB1 H 1 1.476 0.02 . 1 . . . . . 78 ALA HB . 7191 1 772 . 1 1 78 78 ALA HB2 H 1 1.476 0.02 . 1 . . . . . 78 ALA HB . 7191 1 773 . 1 1 78 78 ALA HB3 H 1 1.476 0.02 . 1 . . . . . 78 ALA HB . 7191 1 774 . 1 1 78 78 ALA C C 13 181.730 0.3 . 1 . . . . . 78 ALA C . 7191 1 775 . 1 1 78 78 ALA CA C 13 55.407 0.3 . 1 . . . . . 78 ALA CA . 7191 1 776 . 1 1 78 78 ALA CB C 13 17.703 0.3 . 1 . . . . . 78 ALA CB . 7191 1 777 . 1 1 78 78 ALA N N 15 121.062 0.3 . 1 . . . . . 78 ALA N . 7191 1 778 . 1 1 79 79 GLY H H 1 8.834 0.02 . 1 . . . . . 79 GLY H . 7191 1 779 . 1 1 79 79 GLY HA2 H 1 3.827 0.02 . 2 . . . . . 79 GLY HA2 . 7191 1 780 . 1 1 79 79 GLY HA3 H 1 3.938 0.02 . 2 . . . . . 79 GLY HA3 . 7191 1 781 . 1 1 79 79 GLY C C 13 176.626 0.3 . 1 . . . . . 79 GLY C . 7191 1 782 . 1 1 79 79 GLY CA C 13 46.562 0.3 . 1 . . . . . 79 GLY CA . 7191 1 783 . 1 1 79 79 GLY N N 15 108.243 0.3 . 1 . . . . . 79 GLY N . 7191 1 784 . 1 1 80 80 ALA H H 1 8.843 0.02 . 1 . . . . . 80 ALA H . 7191 1 785 . 1 1 80 80 ALA HA H 1 3.988 0.02 . 1 . . . . . 80 ALA HA . 7191 1 786 . 1 1 80 80 ALA HB1 H 1 1.505 0.02 . 1 . . . . . 80 ALA HB . 7191 1 787 . 1 1 80 80 ALA HB2 H 1 1.505 0.02 . 1 . . . . . 80 ALA HB . 7191 1 788 . 1 1 80 80 ALA HB3 H 1 1.505 0.02 . 1 . . . . . 80 ALA HB . 7191 1 789 . 1 1 80 80 ALA C C 13 179.044 0.3 . 1 . . . . . 80 ALA C . 7191 1 790 . 1 1 80 80 ALA CA C 13 54.815 0.3 . 1 . . . . . 80 ALA CA . 7191 1 791 . 1 1 80 80 ALA CB C 13 19.753 0.3 . 1 . . . . . 80 ALA CB . 7191 1 792 . 1 1 80 80 ALA N N 15 125.343 0.3 . 1 . . . . . 80 ALA N . 7191 1 793 . 1 1 81 81 ARG H H 1 8.740 0.02 . 1 . . . . . 81 ARG H . 7191 1 794 . 1 1 81 81 ARG HA H 1 3.844 0.02 . 1 . . . . . 81 ARG HA . 7191 1 795 . 1 1 81 81 ARG HB2 H 1 1.924 0.02 . 1 . . . . . 81 ARG HB2 . 7191 1 796 . 1 1 81 81 ARG HB3 H 1 1.924 0.02 . 1 . . . . . 81 ARG HB3 . 7191 1 797 . 1 1 81 81 ARG HG2 H 1 1.550 0.02 . 2 . . . . . 81 ARG HG2 . 7191 1 798 . 1 1 81 81 ARG HG3 H 1 1.939 0.02 . 2 . . . . . 81 ARG HG3 . 7191 1 799 . 1 1 81 81 ARG HD2 H 1 3.106 0.02 . 2 . . . . . 81 ARG HD2 . 7191 1 800 . 1 1 81 81 ARG HD3 H 1 3.243 0.02 . 2 . . . . . 81 ARG HD3 . 7191 1 801 . 1 1 81 81 ARG C C 13 179.792 0.3 . 1 . . . . . 81 ARG C . 7191 1 802 . 1 1 81 81 ARG CA C 13 60.068 0.3 . 1 . . . . . 81 ARG CA . 7191 1 803 . 1 1 81 81 ARG CB C 13 30.062 0.3 . 1 . . . . . 81 ARG CB . 7191 1 804 . 1 1 81 81 ARG CG C 13 29.131 0.3 . 1 . . . . . 81 ARG CG . 7191 1 805 . 1 1 81 81 ARG CD C 13 43.646 0.3 . 1 . . . . . 81 ARG CD . 7191 1 806 . 1 1 81 81 ARG N N 15 117.235 0.3 . 1 . . . . . 81 ARG N . 7191 1 807 . 1 1 82 82 ARG H H 1 8.081 0.02 . 1 . . . . . 82 ARG H . 7191 1 808 . 1 1 82 82 ARG HA H 1 4.041 0.02 . 1 . . . . . 82 ARG HA . 7191 1 809 . 1 1 82 82 ARG HB2 H 1 2.013 0.02 . 1 . . . . . 82 ARG HB2 . 7191 1 810 . 1 1 82 82 ARG HB3 H 1 2.013 0.02 . 1 . . . . . 82 ARG HB3 . 7191 1 811 . 1 1 82 82 ARG HG2 H 1 1.720 0.02 . 1 . . . . . 82 ARG HG2 . 7191 1 812 . 1 1 82 82 ARG HG3 H 1 1.720 0.02 . 1 . . . . . 82 ARG HG3 . 7191 1 813 . 1 1 82 82 ARG HD2 H 1 3.277 0.02 . 1 . . . . . 82 ARG HD2 . 7191 1 814 . 1 1 82 82 ARG HD3 H 1 3.277 0.02 . 1 . . . . . 82 ARG HD3 . 7191 1 815 . 1 1 82 82 ARG C C 13 177.640 0.3 . 1 . . . . . 82 ARG C . 7191 1 816 . 1 1 82 82 ARG CA C 13 59.080 0.3 . 1 . . . . . 82 ARG CA . 7191 1 817 . 1 1 82 82 ARG CB C 13 29.783 0.3 . 1 . . . . . 82 ARG CB . 7191 1 818 . 1 1 82 82 ARG CG C 13 26.896 0.3 . 1 . . . . . 82 ARG CG . 7191 1 819 . 1 1 82 82 ARG CD C 13 43.188 0.3 . 1 . . . . . 82 ARG CD . 7191 1 820 . 1 1 82 82 ARG N N 15 122.552 0.3 . 1 . . . . . 82 ARG N . 7191 1 821 . 1 1 83 83 LEU H H 1 7.971 0.02 . 1 . . . . . 83 LEU H . 7191 1 822 . 1 1 83 83 LEU HA H 1 4.148 0.02 . 1 . . . . . 83 LEU HA . 7191 1 823 . 1 1 83 83 LEU HB2 H 1 1.757 0.02 . 1 . . . . . 83 LEU HB2 . 7191 1 824 . 1 1 83 83 LEU HB3 H 1 1.757 0.02 . 1 . . . . . 83 LEU HB3 . 7191 1 825 . 1 1 83 83 LEU HG H 1 1.558 0.02 . 1 . . . . . 83 LEU HG . 7191 1 826 . 1 1 83 83 LEU HD11 H 1 0.907 0.02 . 1 . . . . . 83 LEU HD1 . 7191 1 827 . 1 1 83 83 LEU HD12 H 1 0.907 0.02 . 1 . . . . . 83 LEU HD1 . 7191 1 828 . 1 1 83 83 LEU HD13 H 1 0.907 0.02 . 1 . . . . . 83 LEU HD1 . 7191 1 829 . 1 1 83 83 LEU HD21 H 1 0.826 0.02 . 1 . . . . . 83 LEU HD2 . 7191 1 830 . 1 1 83 83 LEU HD22 H 1 0.826 0.02 . 1 . . . . . 83 LEU HD2 . 7191 1 831 . 1 1 83 83 LEU HD23 H 1 0.826 0.02 . 1 . . . . . 83 LEU HD2 . 7191 1 832 . 1 1 83 83 LEU C C 13 179.796 0.3 . 1 . . . . . 83 LEU C . 7191 1 833 . 1 1 83 83 LEU CA C 13 57.509 0.3 . 1 . . . . . 83 LEU CA . 7191 1 834 . 1 1 83 83 LEU CB C 13 42.522 0.3 . 1 . . . . . 83 LEU CB . 7191 1 835 . 1 1 83 83 LEU CG C 13 26.680 0.3 . 1 . . . . . 83 LEU CG . 7191 1 836 . 1 1 83 83 LEU CD1 C 13 24.867 0.3 . 1 . . . . . 83 LEU CD1 . 7191 1 837 . 1 1 83 83 LEU CD2 C 13 25.987 0.3 . 1 . . . . . 83 LEU CD2 . 7191 1 838 . 1 1 83 83 LEU N N 15 120.310 0.3 . 1 . . . . . 83 LEU N . 7191 1 839 . 1 1 84 84 LEU H H 1 8.026 0.02 . 1 . . . . . 84 LEU H . 7191 1 840 . 1 1 84 84 LEU HA H 1 3.886 0.02 . 1 . . . . . 84 LEU HA . 7191 1 841 . 1 1 84 84 LEU HB2 H 1 1.434 0.02 . 2 . . . . . 84 LEU HB2 . 7191 1 842 . 1 1 84 84 LEU HB3 H 1 1.767 0.02 . 2 . . . . . 84 LEU HB3 . 7191 1 843 . 1 1 84 84 LEU HG H 1 1.821 0.02 . 1 . . . . . 84 LEU HG . 7191 1 844 . 1 1 84 84 LEU HD11 H 1 0.859 0.02 . 1 . . . . . 84 LEU HD1 . 7191 1 845 . 1 1 84 84 LEU HD12 H 1 0.859 0.02 . 1 . . . . . 84 LEU HD1 . 7191 1 846 . 1 1 84 84 LEU HD13 H 1 0.859 0.02 . 1 . . . . . 84 LEU HD1 . 7191 1 847 . 1 1 84 84 LEU HD21 H 1 0.782 0.02 . 1 . . . . . 84 LEU HD2 . 7191 1 848 . 1 1 84 84 LEU HD22 H 1 0.782 0.02 . 1 . . . . . 84 LEU HD2 . 7191 1 849 . 1 1 84 84 LEU HD23 H 1 0.782 0.02 . 1 . . . . . 84 LEU HD2 . 7191 1 850 . 1 1 84 84 LEU C C 13 179.173 0.3 . 1 . . . . . 84 LEU C . 7191 1 851 . 1 1 84 84 LEU CA C 13 58.633 0.3 . 1 . . . . . 84 LEU CA . 7191 1 852 . 1 1 84 84 LEU CB C 13 40.763 0.3 . 1 . . . . . 84 LEU CB . 7191 1 853 . 1 1 84 84 LEU CG C 13 30.240 0.3 . 1 . . . . . 84 LEU CG . 7191 1 854 . 1 1 84 84 LEU CD1 C 13 24.919 0.3 . 1 . . . . . 84 LEU CD1 . 7191 1 855 . 1 1 84 84 LEU CD2 C 13 25.363 0.3 . 1 . . . . . 84 LEU CD2 . 7191 1 856 . 1 1 84 84 LEU N N 15 117.742 0.3 . 1 . . . . . 84 LEU N . 7191 1 857 . 1 1 85 85 THR H H 1 8.307 0.02 . 1 . . . . . 85 THR H . 7191 1 858 . 1 1 85 85 THR HA H 1 3.916 0.02 . 1 . . . . . 85 THR HA . 7191 1 859 . 1 1 85 85 THR HB H 1 4.437 0.02 . 1 . . . . . 85 THR HB . 7191 1 860 . 1 1 85 85 THR HG21 H 1 1.303 0.02 . 1 . . . . . 85 THR HG2 . 7191 1 861 . 1 1 85 85 THR HG22 H 1 1.303 0.02 . 1 . . . . . 85 THR HG2 . 7191 1 862 . 1 1 85 85 THR HG23 H 1 1.303 0.02 . 1 . . . . . 85 THR HG2 . 7191 1 863 . 1 1 85 85 THR C C 13 178.468 0.3 . 1 . . . . . 85 THR C . 7191 1 864 . 1 1 85 85 THR CA C 13 67.110 0.3 . 1 . . . . . 85 THR CA . 7191 1 865 . 1 1 85 85 THR CB C 13 67.983 0.3 . 1 . . . . . 85 THR CB . 7191 1 866 . 1 1 85 85 THR CG2 C 13 21.049 0.3 . 1 . . . . . 85 THR CG2 . 7191 1 867 . 1 1 85 85 THR N N 15 118.501 0.3 . 1 . . . . . 85 THR N . 7191 1 868 . 1 1 86 86 ASP H H 1 8.762 0.02 . 1 . . . . . 86 ASP H . 7191 1 869 . 1 1 86 86 ASP HA H 1 4.466 0.02 . 1 . . . . . 86 ASP HA . 7191 1 870 . 1 1 86 86 ASP HB2 H 1 2.724 0.02 . 2 . . . . . 86 ASP HB2 . 7191 1 871 . 1 1 86 86 ASP HB3 H 1 2.852 0.02 . 2 . . . . . 86 ASP HB3 . 7191 1 872 . 1 1 86 86 ASP C C 13 177.121 0.3 . 1 . . . . . 86 ASP C . 7191 1 873 . 1 1 86 86 ASP CA C 13 56.995 0.3 . 1 . . . . . 86 ASP CA . 7191 1 874 . 1 1 86 86 ASP CB C 13 39.839 0.3 . 1 . . . . . 86 ASP CB . 7191 1 875 . 1 1 86 86 ASP N N 15 125.488 0.3 . 1 . . . . . 86 ASP N . 7191 1 876 . 1 1 87 87 ALA H H 1 7.426 0.02 . 1 . . . . . 87 ALA H . 7191 1 877 . 1 1 87 87 ALA HA H 1 4.460 0.02 . 1 . . . . . 87 ALA HA . 7191 1 878 . 1 1 87 87 ALA HB1 H 1 1.511 0.02 . 1 . . . . . 87 ALA HB . 7191 1 879 . 1 1 87 87 ALA HB2 H 1 1.511 0.02 . 1 . . . . . 87 ALA HB . 7191 1 880 . 1 1 87 87 ALA HB3 H 1 1.511 0.02 . 1 . . . . . 87 ALA HB . 7191 1 881 . 1 1 87 87 ALA C C 13 177.198 0.3 . 1 . . . . . 87 ALA C . 7191 1 882 . 1 1 87 87 ALA CA C 13 51.799 0.3 . 1 . . . . . 87 ALA CA . 7191 1 883 . 1 1 87 87 ALA CB C 13 19.944 0.3 . 1 . . . . . 87 ALA CB . 7191 1 884 . 1 1 87 87 ALA N N 15 119.431 0.3 . 1 . . . . . 87 ALA N . 7191 1 885 . 1 1 88 88 GLY H H 1 7.809 0.02 . 1 . . . . . 88 GLY H . 7191 1 886 . 1 1 88 88 GLY HA2 H 1 4.106 0.02 . 2 . . . . . 88 GLY HA2 . 7191 1 887 . 1 1 88 88 GLY HA3 H 1 4.292 0.02 . 2 . . . . . 88 GLY HA3 . 7191 1 888 . 1 1 88 88 GLY C C 13 175.814 0.3 . 1 . . . . . 88 GLY C . 7191 1 889 . 1 1 88 88 GLY CA C 13 46.111 0.3 . 1 . . . . . 88 GLY CA . 7191 1 890 . 1 1 88 88 GLY N N 15 106.098 0.3 . 1 . . . . . 88 GLY N . 7191 1 891 . 1 1 89 89 LEU H H 1 8.067 0.02 . 1 . . . . . 89 LEU H . 7191 1 892 . 1 1 89 89 LEU HA H 1 4.648 0.02 . 1 . . . . . 89 LEU HA . 7191 1 893 . 1 1 89 89 LEU HB2 H 1 1.444 0.02 . 2 . . . . . 89 LEU HB2 . 7191 1 894 . 1 1 89 89 LEU HB3 H 1 1.540 0.02 . 2 . . . . . 89 LEU HB3 . 7191 1 895 . 1 1 89 89 LEU HG H 1 1.420 0.02 . 1 . . . . . 89 LEU HG . 7191 1 896 . 1 1 89 89 LEU HD11 H 1 0.719 0.02 . 1 . . . . . 89 LEU HD1 . 7191 1 897 . 1 1 89 89 LEU HD12 H 1 0.719 0.02 . 1 . . . . . 89 LEU HD1 . 7191 1 898 . 1 1 89 89 LEU HD13 H 1 0.719 0.02 . 1 . . . . . 89 LEU HD1 . 7191 1 899 . 1 1 89 89 LEU HD21 H 1 0.795 0.02 . 1 . . . . . 89 LEU HD2 . 7191 1 900 . 1 1 89 89 LEU HD22 H 1 0.795 0.02 . 1 . . . . . 89 LEU HD2 . 7191 1 901 . 1 1 89 89 LEU HD23 H 1 0.795 0.02 . 1 . . . . . 89 LEU HD2 . 7191 1 902 . 1 1 89 89 LEU C C 13 177.248 0.3 . 1 . . . . . 89 LEU C . 7191 1 903 . 1 1 89 89 LEU CA C 13 53.482 0.3 . 1 . . . . . 89 LEU CA . 7191 1 904 . 1 1 89 89 LEU CB C 13 42.303 0.3 . 1 . . . . . 89 LEU CB . 7191 1 905 . 1 1 89 89 LEU CG C 13 26.226 0.3 . 1 . . . . . 89 LEU CG . 7191 1 906 . 1 1 89 89 LEU CD1 C 13 25.788 0.3 . 1 . . . . . 89 LEU CD1 . 7191 1 907 . 1 1 89 89 LEU CD2 C 13 22.944 0.3 . 1 . . . . . 89 LEU CD2 . 7191 1 908 . 1 1 89 89 LEU N N 15 118.420 0.3 . 1 . . . . . 89 LEU N . 7191 1 909 . 1 1 90 90 ALA H H 1 8.661 0.02 . 1 . . . . . 90 ALA H . 7191 1 910 . 1 1 90 90 ALA HA H 1 3.929 0.02 . 1 . . . . . 90 ALA HA . 7191 1 911 . 1 1 90 90 ALA HB1 H 1 1.553 0.02 . 1 . . . . . 90 ALA HB . 7191 1 912 . 1 1 90 90 ALA HB2 H 1 1.553 0.02 . 1 . . . . . 90 ALA HB . 7191 1 913 . 1 1 90 90 ALA HB3 H 1 1.553 0.02 . 1 . . . . . 90 ALA HB . 7191 1 914 . 1 1 90 90 ALA C C 13 177.240 0.3 . 1 . . . . . 90 ALA C . 7191 1 915 . 1 1 90 90 ALA CA C 13 54.636 0.3 . 1 . . . . . 90 ALA CA . 7191 1 916 . 1 1 90 90 ALA CB C 13 19.698 0.3 . 1 . . . . . 90 ALA CB . 7191 1 917 . 1 1 90 90 ALA N N 15 121.860 0.3 . 1 . . . . . 90 ALA N . 7191 1 918 . 1 1 91 91 HIS H H 1 8.079 0.02 . 1 . . . . . 91 HIS H . 7191 1 919 . 1 1 91 91 HIS HA H 1 4.474 0.02 . 1 . . . . . 91 HIS HA . 7191 1 920 . 1 1 91 91 HIS HB2 H 1 3.094 0.02 . 2 . . . . . 91 HIS HB2 . 7191 1 921 . 1 1 91 91 HIS HB3 H 1 3.221 0.02 . 2 . . . . . 91 HIS HB3 . 7191 1 922 . 1 1 91 91 HIS HD2 H 1 7.045 0.02 . 1 . . . . . 91 HIS HD2 . 7191 1 923 . 1 1 91 91 HIS C C 13 176.315 0.3 . 1 . . . . . 91 HIS C . 7191 1 924 . 1 1 91 91 HIS CA C 13 57.685 0.3 . 1 . . . . . 91 HIS CA . 7191 1 925 . 1 1 91 91 HIS CB C 13 29.567 0.3 . 1 . . . . . 91 HIS CB . 7191 1 926 . 1 1 91 91 HIS CD2 C 13 118.527 0.3 . 1 . . . . . 91 HIS CD2 . 7191 1 927 . 1 1 91 91 HIS N N 15 119.525 0.3 . 1 . . . . . 91 HIS N . 7191 1 928 . 1 1 92 92 GLU H H 1 7.665 0.02 . 1 . . . . . 92 GLU H . 7191 1 929 . 1 1 92 92 GLU HA H 1 4.580 0.02 . 1 . . . . . 92 GLU HA . 7191 1 930 . 1 1 92 92 GLU HB2 H 1 1.620 0.02 . 2 . . . . . 92 GLU HB2 . 7191 1 931 . 1 1 92 92 GLU HB3 H 1 2.208 0.02 . 2 . . . . . 92 GLU HB3 . 7191 1 932 . 1 1 92 92 GLU HG2 H 1 1.656 0.02 . 2 . . . . . 92 GLU HG2 . 7191 1 933 . 1 1 92 92 GLU HG3 H 1 2.090 0.02 . 2 . . . . . 92 GLU HG3 . 7191 1 934 . 1 1 92 92 GLU C C 13 176.811 0.3 . 1 . . . . . 92 GLU C . 7191 1 935 . 1 1 92 92 GLU CA C 13 55.281 0.3 . 1 . . . . . 92 GLU CA . 7191 1 936 . 1 1 92 92 GLU CB C 13 29.346 0.3 . 1 . . . . . 92 GLU CB . 7191 1 937 . 1 1 92 92 GLU CG C 13 34.382 0.3 . 1 . . . . . 92 GLU CG . 7191 1 938 . 1 1 92 92 GLU N N 15 118.253 0.3 . 1 . . . . . 92 GLU N . 7191 1 939 . 1 1 93 93 LEU H H 1 7.340 0.02 . 1 . . . . . 93 LEU H . 7191 1 940 . 1 1 93 93 LEU HA H 1 4.297 0.02 . 1 . . . . . 93 LEU HA . 7191 1 941 . 1 1 93 93 LEU HB2 H 1 1.903 0.02 . 1 . . . . . 93 LEU HB2 . 7191 1 942 . 1 1 93 93 LEU HB3 H 1 1.571 0.02 . 1 . . . . . 93 LEU HB3 . 7191 1 943 . 1 1 93 93 LEU HG H 1 1.803 0.02 . 1 . . . . . 93 LEU HG . 7191 1 944 . 1 1 93 93 LEU HD11 H 1 0.946 0.02 . 1 . . . . . 93 LEU HD1 . 7191 1 945 . 1 1 93 93 LEU HD12 H 1 0.946 0.02 . 1 . . . . . 93 LEU HD1 . 7191 1 946 . 1 1 93 93 LEU HD13 H 1 0.946 0.02 . 1 . . . . . 93 LEU HD1 . 7191 1 947 . 1 1 93 93 LEU HD21 H 1 0.877 0.02 . 1 . . . . . 93 LEU HD2 . 7191 1 948 . 1 1 93 93 LEU HD22 H 1 0.877 0.02 . 1 . . . . . 93 LEU HD2 . 7191 1 949 . 1 1 93 93 LEU HD23 H 1 0.877 0.02 . 1 . . . . . 93 LEU HD2 . 7191 1 950 . 1 1 93 93 LEU C C 13 177.431 0.3 . 1 . . . . . 93 LEU C . 7191 1 951 . 1 1 93 93 LEU CA C 13 54.600 0.3 . 1 . . . . . 93 LEU CA . 7191 1 952 . 1 1 93 93 LEU CB C 13 41.952 0.3 . 1 . . . . . 93 LEU CB . 7191 1 953 . 1 1 93 93 LEU CG C 13 26.433 0.3 . 1 . . . . . 93 LEU CG . 7191 1 954 . 1 1 93 93 LEU CD1 C 13 25.787 0.3 . 1 . . . . . 93 LEU CD1 . 7191 1 955 . 1 1 93 93 LEU CD2 C 13 24.185 0.3 . 1 . . . . . 93 LEU CD2 . 7191 1 956 . 1 1 93 93 LEU N N 15 117.737 0.3 . 1 . . . . . 93 LEU N . 7191 1 957 . 1 1 94 94 ARG H H 1 8.012 0.02 . 1 . . . . . 94 ARG H . 7191 1 958 . 1 1 94 94 ARG HA H 1 4.388 0.02 . 1 . . . . . 94 ARG HA . 7191 1 959 . 1 1 94 94 ARG HB2 H 1 1.716 0.02 . 2 . . . . . 94 ARG HB2 . 7191 1 960 . 1 1 94 94 ARG HB3 H 1 1.832 0.02 . 2 . . . . . 94 ARG HB3 . 7191 1 961 . 1 1 94 94 ARG HG2 H 1 1.630 0.02 . 1 . . . . . 94 ARG HG2 . 7191 1 962 . 1 1 94 94 ARG HG3 H 1 1.630 0.02 . 1 . . . . . 94 ARG HG3 . 7191 1 963 . 1 1 94 94 ARG HD2 H 1 3.123 0.02 . 2 . . . . . 94 ARG HD2 . 7191 1 964 . 1 1 94 94 ARG HD3 H 1 3.237 0.02 . 2 . . . . . 94 ARG HD3 . 7191 1 965 . 1 1 94 94 ARG C C 13 176.499 0.3 . 1 . . . . . 94 ARG C . 7191 1 966 . 1 1 94 94 ARG CA C 13 55.521 0.3 . 1 . . . . . 94 ARG CA . 7191 1 967 . 1 1 94 94 ARG CB C 13 30.652 0.3 . 1 . . . . . 94 ARG CB . 7191 1 968 . 1 1 94 94 ARG CG C 13 26.901 0.3 . 1 . . . . . 94 ARG CG . 7191 1 969 . 1 1 94 94 ARG CD C 13 43.145 0.3 . 1 . . . . . 94 ARG CD . 7191 1 970 . 1 1 94 94 ARG N N 15 121.604 0.3 . 1 . . . . . 94 ARG N . 7191 1 971 . 1 1 95 95 SER H H 1 8.672 0.02 . 1 . . . . . 95 SER H . 7191 1 972 . 1 1 95 95 SER HA H 1 4.563 0.02 . 1 . . . . . 95 SER HA . 7191 1 973 . 1 1 95 95 SER HB2 H 1 3.901 0.02 . 1 . . . . . 95 SER HB2 . 7191 1 974 . 1 1 95 95 SER HB3 H 1 3.901 0.02 . 1 . . . . . 95 SER HB3 . 7191 1 975 . 1 1 95 95 SER C C 13 174.079 0.3 . 1 . . . . . 95 SER C . 7191 1 976 . 1 1 95 95 SER CA C 13 57.715 0.3 . 1 . . . . . 95 SER CA . 7191 1 977 . 1 1 95 95 SER CB C 13 63.533 0.3 . 1 . . . . . 95 SER CB . 7191 1 978 . 1 1 95 95 SER N N 15 120.060 0.3 . 1 . . . . . 95 SER N . 7191 1 979 . 1 1 96 96 ASP H H 1 8.490 0.02 . 1 . . . . . 96 ASP H . 7191 1 980 . 1 1 96 96 ASP HA H 1 4.698 0.02 . 1 . . . . . 96 ASP HA . 7191 1 981 . 1 1 96 96 ASP HB2 H 1 2.569 0.02 . 2 . . . . . 96 ASP HB2 . 7191 1 982 . 1 1 96 96 ASP HB3 H 1 2.770 0.02 . 2 . . . . . 96 ASP HB3 . 7191 1 983 . 1 1 96 96 ASP C C 13 175.106 0.3 . 1 . . . . . 96 ASP C . 7191 1 984 . 1 1 96 96 ASP CA C 13 54.154 0.3 . 1 . . . . . 96 ASP CA . 7191 1 985 . 1 1 96 96 ASP CB C 13 41.412 0.3 . 1 . . . . . 96 ASP CB . 7191 1 986 . 1 1 96 96 ASP N N 15 123.147 0.3 . 1 . . . . . 96 ASP N . 7191 1 987 . 1 1 97 97 ASP H H 1 7.989 0.02 . 1 . . . . . 97 ASP H . 7191 1 988 . 1 1 97 97 ASP HA H 1 4.386 0.02 . 1 . . . . . 97 ASP HA . 7191 1 989 . 1 1 97 97 ASP HB2 H 1 2.570 0.02 . 2 . . . . . 97 ASP HB2 . 7191 1 990 . 1 1 97 97 ASP HB3 H 1 2.677 0.02 . 2 . . . . . 97 ASP HB3 . 7191 1 991 . 1 1 97 97 ASP CA C 13 55.623 0.3 . 1 . . . . . 97 ASP CA . 7191 1 992 . 1 1 97 97 ASP CB C 13 42.306 0.3 . 1 . . . . . 97 ASP CB . 7191 1 993 . 1 1 97 97 ASP N N 15 125.715 0.3 . 1 . . . . . 97 ASP N . 7191 1 stop_ save_