################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 10225 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _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 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10225 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10225 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 6 6 SER HA H 1 4.443 0.030 . 1 . . . . 6 SER HA . 10225 1 2 . 1 1 6 6 SER HB2 H 1 3.875 0.030 . 1 . . . . 6 SER HB2 . 10225 1 3 . 1 1 6 6 SER HB3 H 1 3.875 0.030 . 1 . . . . 6 SER HB3 . 10225 1 4 . 1 1 6 6 SER C C 13 174.977 0.300 . 1 . . . . 6 SER C . 10225 1 5 . 1 1 6 6 SER CA C 13 58.518 0.300 . 1 . . . . 6 SER CA . 10225 1 6 . 1 1 6 6 SER CB C 13 63.628 0.300 . 1 . . . . 6 SER CB . 10225 1 7 . 1 1 7 7 GLY H H 1 8.375 0.030 . 1 . . . . 7 GLY H . 10225 1 8 . 1 1 7 7 GLY HA2 H 1 3.943 0.030 . 1 . . . . 7 GLY HA2 . 10225 1 9 . 1 1 7 7 GLY HA3 H 1 3.943 0.030 . 1 . . . . 7 GLY HA3 . 10225 1 10 . 1 1 7 7 GLY C C 13 174.013 0.300 . 1 . . . . 7 GLY C . 10225 1 11 . 1 1 7 7 GLY CA C 13 45.265 0.300 . 1 . . . . 7 GLY CA . 10225 1 12 . 1 1 7 7 GLY N N 15 110.641 0.300 . 1 . . . . 7 GLY N . 10225 1 13 . 1 1 8 8 GLU H H 1 8.221 0.030 . 1 . . . . 8 GLU H . 10225 1 14 . 1 1 8 8 GLU HA H 1 4.211 0.030 . 1 . . . . 8 GLU HA . 10225 1 15 . 1 1 8 8 GLU HB2 H 1 1.902 0.030 . 1 . . . . 8 GLU HB2 . 10225 1 16 . 1 1 8 8 GLU HB3 H 1 1.902 0.030 . 1 . . . . 8 GLU HB3 . 10225 1 17 . 1 1 8 8 GLU HG2 H 1 2.212 0.030 . 1 . . . . 8 GLU HG2 . 10225 1 18 . 1 1 8 8 GLU HG3 H 1 2.212 0.030 . 1 . . . . 8 GLU HG3 . 10225 1 19 . 1 1 8 8 GLU C C 13 176.367 0.300 . 1 . . . . 8 GLU C . 10225 1 20 . 1 1 8 8 GLU CA C 13 56.659 0.300 . 1 . . . . 8 GLU CA . 10225 1 21 . 1 1 8 8 GLU CB C 13 30.440 0.300 . 1 . . . . 8 GLU CB . 10225 1 22 . 1 1 8 8 GLU CG C 13 36.289 0.300 . 1 . . . . 8 GLU CG . 10225 1 23 . 1 1 8 8 GLU N N 15 120.286 0.300 . 1 . . . . 8 GLU N . 10225 1 24 . 1 1 9 9 LYS H H 1 8.366 0.030 . 1 . . . . 9 LYS H . 10225 1 25 . 1 1 9 9 LYS HA H 1 4.523 0.030 . 1 . . . . 9 LYS HA . 10225 1 26 . 1 1 9 9 LYS HB2 H 1 1.567 0.030 . 1 . . . . 9 LYS HB2 . 10225 1 27 . 1 1 9 9 LYS HB3 H 1 1.567 0.030 . 1 . . . . 9 LYS HB3 . 10225 1 28 . 1 1 9 9 LYS HD2 H 1 1.563 0.030 . 2 . . . . 9 LYS HD2 . 10225 1 29 . 1 1 9 9 LYS HD3 H 1 1.507 0.030 . 2 . . . . 9 LYS HD3 . 10225 1 30 . 1 1 9 9 LYS HE2 H 1 3.004 0.030 . 2 . . . . 9 LYS HE2 . 10225 1 31 . 1 1 9 9 LYS HE3 H 1 2.900 0.030 . 2 . . . . 9 LYS HE3 . 10225 1 32 . 1 1 9 9 LYS HG2 H 1 1.324 0.030 . 2 . . . . 9 LYS HG2 . 10225 1 33 . 1 1 9 9 LYS HG3 H 1 1.226 0.030 . 2 . . . . 9 LYS HG3 . 10225 1 34 . 1 1 9 9 LYS C C 13 174.265 0.300 . 1 . . . . 9 LYS C . 10225 1 35 . 1 1 9 9 LYS CA C 13 53.760 0.300 . 1 . . . . 9 LYS CA . 10225 1 36 . 1 1 9 9 LYS CB C 13 32.697 0.300 . 1 . . . . 9 LYS CB . 10225 1 37 . 1 1 9 9 LYS CD C 13 29.266 0.300 . 1 . . . . 9 LYS CD . 10225 1 38 . 1 1 9 9 LYS CE C 13 42.308 0.300 . 1 . . . . 9 LYS CE . 10225 1 39 . 1 1 9 9 LYS CG C 13 24.621 0.300 . 1 . . . . 9 LYS CG . 10225 1 40 . 1 1 9 9 LYS N N 15 122.243 0.300 . 1 . . . . 9 LYS N . 10225 1 41 . 1 1 10 10 PRO HA H 1 4.279 0.030 . 1 . . . . 10 PRO HA . 10225 1 42 . 1 1 10 10 PRO HB2 H 1 1.252 0.030 . 2 . . . . 10 PRO HB2 . 10225 1 43 . 1 1 10 10 PRO HB3 H 1 2.002 0.030 . 2 . . . . 10 PRO HB3 . 10225 1 44 . 1 1 10 10 PRO HD2 H 1 3.566 0.030 . 1 . . . . 10 PRO HD2 . 10225 1 45 . 1 1 10 10 PRO HD3 H 1 3.566 0.030 . 1 . . . . 10 PRO HD3 . 10225 1 46 . 1 1 10 10 PRO HG2 H 1 1.613 0.030 . 2 . . . . 10 PRO HG2 . 10225 1 47 . 1 1 10 10 PRO HG3 H 1 1.797 0.030 . 2 . . . . 10 PRO HG3 . 10225 1 48 . 1 1 10 10 PRO C C 13 176.457 0.300 . 1 . . . . 10 PRO C . 10225 1 49 . 1 1 10 10 PRO CA C 13 63.415 0.300 . 1 . . . . 10 PRO CA . 10225 1 50 . 1 1 10 10 PRO CB C 13 32.074 0.300 . 1 . . . . 10 PRO CB . 10225 1 51 . 1 1 10 10 PRO CD C 13 50.437 0.300 . 1 . . . . 10 PRO CD . 10225 1 52 . 1 1 10 10 PRO CG C 13 26.799 0.300 . 1 . . . . 10 PRO CG . 10225 1 53 . 1 1 11 11 TYR H H 1 8.273 0.030 . 1 . . . . 11 TYR H . 10225 1 54 . 1 1 11 11 TYR HA H 1 4.715 0.030 . 1 . . . . 11 TYR HA . 10225 1 55 . 1 1 11 11 TYR HB2 H 1 2.958 0.030 . 2 . . . . 11 TYR HB2 . 10225 1 56 . 1 1 11 11 TYR HB3 H 1 2.883 0.030 . 2 . . . . 11 TYR HB3 . 10225 1 57 . 1 1 11 11 TYR HD1 H 1 7.018 0.030 . 1 . . . . 11 TYR HD1 . 10225 1 58 . 1 1 11 11 TYR HD2 H 1 7.018 0.030 . 1 . . . . 11 TYR HD2 . 10225 1 59 . 1 1 11 11 TYR HE1 H 1 6.852 0.030 . 1 . . . . 11 TYR HE1 . 10225 1 60 . 1 1 11 11 TYR HE2 H 1 6.852 0.030 . 1 . . . . 11 TYR HE2 . 10225 1 61 . 1 1 11 11 TYR C C 13 174.995 0.300 . 1 . . . . 11 TYR C . 10225 1 62 . 1 1 11 11 TYR CA C 13 56.584 0.300 . 1 . . . . 11 TYR CA . 10225 1 63 . 1 1 11 11 TYR CB C 13 38.169 0.300 . 1 . . . . 11 TYR CB . 10225 1 64 . 1 1 11 11 TYR CD1 C 13 132.996 0.300 . 1 . . . . 11 TYR CD1 . 10225 1 65 . 1 1 11 11 TYR CD2 C 13 132.996 0.300 . 1 . . . . 11 TYR CD2 . 10225 1 66 . 1 1 11 11 TYR CE1 C 13 118.299 0.300 . 1 . . . . 11 TYR CE1 . 10225 1 67 . 1 1 11 11 TYR CE2 C 13 118.299 0.300 . 1 . . . . 11 TYR CE2 . 10225 1 68 . 1 1 11 11 TYR N N 15 118.862 0.300 . 1 . . . . 11 TYR N . 10225 1 69 . 1 1 12 12 GLY H H 1 8.221 0.030 . 1 . . . . 12 GLY H . 10225 1 70 . 1 1 12 12 GLY HA2 H 1 3.613 0.030 . 2 . . . . 12 GLY HA2 . 10225 1 71 . 1 1 12 12 GLY HA3 H 1 4.865 0.030 . 2 . . . . 12 GLY HA3 . 10225 1 72 . 1 1 12 12 GLY C C 13 173.074 0.300 . 1 . . . . 12 GLY C . 10225 1 73 . 1 1 12 12 GLY CA C 13 44.870 0.300 . 1 . . . . 12 GLY CA . 10225 1 74 . 1 1 12 12 GLY N N 15 110.093 0.300 . 1 . . . . 12 GLY N . 10225 1 75 . 1 1 13 13 CYS H H 1 9.115 0.030 . 1 . . . . 13 CYS H . 10225 1 76 . 1 1 13 13 CYS HA H 1 4.665 0.030 . 1 . . . . 13 CYS HA . 10225 1 77 . 1 1 13 13 CYS HB2 H 1 2.860 0.030 . 2 . . . . 13 CYS HB2 . 10225 1 78 . 1 1 13 13 CYS HB3 H 1 3.440 0.030 . 2 . . . . 13 CYS HB3 . 10225 1 79 . 1 1 13 13 CYS C C 13 177.041 0.300 . 1 . . . . 13 CYS C . 10225 1 80 . 1 1 13 13 CYS CA C 13 58.883 0.300 . 1 . . . . 13 CYS CA . 10225 1 81 . 1 1 13 13 CYS CB C 13 29.920 0.300 . 1 . . . . 13 CYS CB . 10225 1 82 . 1 1 13 13 CYS N N 15 123.945 0.300 . 1 . . . . 13 CYS N . 10225 1 83 . 1 1 14 14 ASN H H 1 9.374 0.030 . 1 . . . . 14 ASN H . 10225 1 84 . 1 1 14 14 ASN HA H 1 4.550 0.030 . 1 . . . . 14 ASN HA . 10225 1 85 . 1 1 14 14 ASN HB2 H 1 2.894 0.030 . 1 . . . . 14 ASN HB2 . 10225 1 86 . 1 1 14 14 ASN HB3 H 1 2.894 0.030 . 1 . . . . 14 ASN HB3 . 10225 1 87 . 1 1 14 14 ASN HD21 H 1 7.667 0.030 . 2 . . . . 14 ASN HD21 . 10225 1 88 . 1 1 14 14 ASN HD22 H 1 6.976 0.030 . 2 . . . . 14 ASN HD22 . 10225 1 89 . 1 1 14 14 ASN C C 13 175.484 0.300 . 1 . . . . 14 ASN C . 10225 1 90 . 1 1 14 14 ASN CA C 13 55.420 0.300 . 1 . . . . 14 ASN CA . 10225 1 91 . 1 1 14 14 ASN CB C 13 38.238 0.300 . 1 . . . . 14 ASN CB . 10225 1 92 . 1 1 14 14 ASN N N 15 129.983 0.300 . 1 . . . . 14 ASN N . 10225 1 93 . 1 1 14 14 ASN ND2 N 15 113.111 0.300 . 1 . . . . 14 ASN ND2 . 10225 1 94 . 1 1 15 15 GLU H H 1 8.645 0.030 . 1 . . . . 15 GLU H . 10225 1 95 . 1 1 15 15 GLU HA H 1 4.212 0.030 . 1 . . . . 15 GLU HA . 10225 1 96 . 1 1 15 15 GLU HB2 H 1 1.371 0.030 . 1 . . . . 15 GLU HB2 . 10225 1 97 . 1 1 15 15 GLU HB3 H 1 1.371 0.030 . 1 . . . . 15 GLU HB3 . 10225 1 98 . 1 1 15 15 GLU HG2 H 1 1.908 0.030 . 2 . . . . 15 GLU HG2 . 10225 1 99 . 1 1 15 15 GLU HG3 H 1 1.774 0.030 . 2 . . . . 15 GLU HG3 . 10225 1 100 . 1 1 15 15 GLU C C 13 177.052 0.300 . 1 . . . . 15 GLU C . 10225 1 101 . 1 1 15 15 GLU CA C 13 58.326 0.300 . 1 . . . . 15 GLU CA . 10225 1 102 . 1 1 15 15 GLU CB C 13 29.466 0.300 . 1 . . . . 15 GLU CB . 10225 1 103 . 1 1 15 15 GLU CG C 13 35.717 0.300 . 1 . . . . 15 GLU CG . 10225 1 104 . 1 1 15 15 GLU N N 15 120.926 0.300 . 1 . . . . 15 GLU N . 10225 1 105 . 1 1 16 16 CYS H H 1 7.846 0.030 . 1 . . . . 16 CYS H . 10225 1 106 . 1 1 16 16 CYS HA H 1 5.144 0.030 . 1 . . . . 16 CYS HA . 10225 1 107 . 1 1 16 16 CYS HB2 H 1 2.904 0.030 . 2 . . . . 16 CYS HB2 . 10225 1 108 . 1 1 16 16 CYS HB3 H 1 3.422 0.030 . 2 . . . . 16 CYS HB3 . 10225 1 109 . 1 1 16 16 CYS C C 13 176.147 0.300 . 1 . . . . 16 CYS C . 10225 1 110 . 1 1 16 16 CYS CA C 13 58.213 0.300 . 1 . . . . 16 CYS CA . 10225 1 111 . 1 1 16 16 CYS CB C 13 32.251 0.300 . 1 . . . . 16 CYS CB . 10225 1 112 . 1 1 16 16 CYS N N 15 114.327 0.300 . 1 . . . . 16 CYS N . 10225 1 113 . 1 1 17 17 GLY H H 1 8.188 0.030 . 1 . . . . 17 GLY H . 10225 1 114 . 1 1 17 17 GLY HA2 H 1 3.875 0.030 . 2 . . . . 17 GLY HA2 . 10225 1 115 . 1 1 17 17 GLY HA3 H 1 4.202 0.030 . 2 . . . . 17 GLY HA3 . 10225 1 116 . 1 1 17 17 GLY C C 13 174.225 0.300 . 1 . . . . 17 GLY C . 10225 1 117 . 1 1 17 17 GLY CA C 13 46.360 0.300 . 1 . . . . 17 GLY CA . 10225 1 118 . 1 1 17 17 GLY N N 15 113.009 0.300 . 1 . . . . 17 GLY N . 10225 1 119 . 1 1 18 18 LYS H H 1 7.801 0.030 . 1 . . . . 18 LYS H . 10225 1 120 . 1 1 18 18 LYS HA H 1 4.087 0.030 . 1 . . . . 18 LYS HA . 10225 1 121 . 1 1 18 18 LYS HB2 H 1 1.411 0.030 . 2 . . . . 18 LYS HB2 . 10225 1 122 . 1 1 18 18 LYS HB3 H 1 1.336 0.030 . 2 . . . . 18 LYS HB3 . 10225 1 123 . 1 1 18 18 LYS HD2 H 1 1.558 0.030 . 1 . . . . 18 LYS HD2 . 10225 1 124 . 1 1 18 18 LYS HD3 H 1 1.558 0.030 . 1 . . . . 18 LYS HD3 . 10225 1 125 . 1 1 18 18 LYS HE2 H 1 2.966 0.030 . 1 . . . . 18 LYS HE2 . 10225 1 126 . 1 1 18 18 LYS HE3 H 1 2.966 0.030 . 1 . . . . 18 LYS HE3 . 10225 1 127 . 1 1 18 18 LYS HG2 H 1 1.526 0.030 . 2 . . . . 18 LYS HG2 . 10225 1 128 . 1 1 18 18 LYS HG3 H 1 1.238 0.030 . 2 . . . . 18 LYS HG3 . 10225 1 129 . 1 1 18 18 LYS C C 13 173.597 0.300 . 1 . . . . 18 LYS C . 10225 1 130 . 1 1 18 18 LYS CA C 13 57.553 0.300 . 1 . . . . 18 LYS CA . 10225 1 131 . 1 1 18 18 LYS CB C 13 34.123 0.300 . 1 . . . . 18 LYS CB . 10225 1 132 . 1 1 18 18 LYS CD C 13 29.355 0.300 . 1 . . . . 18 LYS CD . 10225 1 133 . 1 1 18 18 LYS CE C 13 42.186 0.300 . 1 . . . . 18 LYS CE . 10225 1 134 . 1 1 18 18 LYS CG C 13 26.334 0.300 . 1 . . . . 18 LYS CG . 10225 1 135 . 1 1 18 18 LYS N N 15 122.310 0.300 . 1 . . . . 18 LYS N . 10225 1 136 . 1 1 19 19 ASP H H 1 7.782 0.030 . 1 . . . . 19 ASP H . 10225 1 137 . 1 1 19 19 ASP HA H 1 5.140 0.030 . 1 . . . . 19 ASP HA . 10225 1 138 . 1 1 19 19 ASP HB2 H 1 2.445 0.030 . 2 . . . . 19 ASP HB2 . 10225 1 139 . 1 1 19 19 ASP HB3 H 1 2.355 0.030 . 2 . . . . 19 ASP HB3 . 10225 1 140 . 1 1 19 19 ASP C C 13 174.660 0.300 . 1 . . . . 19 ASP C . 10225 1 141 . 1 1 19 19 ASP CA C 13 52.887 0.300 . 1 . . . . 19 ASP CA . 10225 1 142 . 1 1 19 19 ASP CB C 13 43.759 0.300 . 1 . . . . 19 ASP CB . 10225 1 143 . 1 1 19 19 ASP N N 15 118.910 0.300 . 1 . . . . 19 ASP N . 10225 1 144 . 1 1 20 20 PHE H H 1 8.207 0.030 . 1 . . . . 20 PHE H . 10225 1 145 . 1 1 20 20 PHE HA H 1 4.735 0.030 . 1 . . . . 20 PHE HA . 10225 1 146 . 1 1 20 20 PHE HB2 H 1 2.978 0.030 . 2 . . . . 20 PHE HB2 . 10225 1 147 . 1 1 20 20 PHE HB3 H 1 3.341 0.030 . 2 . . . . 20 PHE HB3 . 10225 1 148 . 1 1 20 20 PHE HD1 H 1 7.309 0.030 . 1 . . . . 20 PHE HD1 . 10225 1 149 . 1 1 20 20 PHE HD2 H 1 7.309 0.030 . 1 . . . . 20 PHE HD2 . 10225 1 150 . 1 1 20 20 PHE HE1 H 1 6.797 0.030 . 1 . . . . 20 PHE HE1 . 10225 1 151 . 1 1 20 20 PHE HE2 H 1 6.797 0.030 . 1 . . . . 20 PHE HE2 . 10225 1 152 . 1 1 20 20 PHE HZ H 1 6.072 0.030 . 1 . . . . 20 PHE HZ . 10225 1 153 . 1 1 20 20 PHE C C 13 175.997 0.300 . 1 . . . . 20 PHE C . 10225 1 154 . 1 1 20 20 PHE CA C 13 57.637 0.300 . 1 . . . . 20 PHE CA . 10225 1 155 . 1 1 20 20 PHE CB C 13 43.683 0.300 . 1 . . . . 20 PHE CB . 10225 1 156 . 1 1 20 20 PHE CD1 C 13 132.166 0.300 . 1 . . . . 20 PHE CD1 . 10225 1 157 . 1 1 20 20 PHE CD2 C 13 132.166 0.300 . 1 . . . . 20 PHE CD2 . 10225 1 158 . 1 1 20 20 PHE CE1 C 13 130.748 0.300 . 1 . . . . 20 PHE CE1 . 10225 1 159 . 1 1 20 20 PHE CE2 C 13 130.748 0.300 . 1 . . . . 20 PHE CE2 . 10225 1 160 . 1 1 20 20 PHE CZ C 13 128.692 0.300 . 1 . . . . 20 PHE CZ . 10225 1 161 . 1 1 20 20 PHE N N 15 116.189 0.300 . 1 . . . . 20 PHE N . 10225 1 162 . 1 1 21 21 SER H H 1 9.247 0.030 . 1 . . . . 21 SER H . 10225 1 163 . 1 1 21 21 SER HA H 1 4.557 0.030 . 1 . . . . 21 SER HA . 10225 1 164 . 1 1 21 21 SER HB2 H 1 3.976 0.030 . 2 . . . . 21 SER HB2 . 10225 1 165 . 1 1 21 21 SER HB3 H 1 4.183 0.030 . 2 . . . . 21 SER HB3 . 10225 1 166 . 1 1 21 21 SER C C 13 173.988 0.300 . 1 . . . . 21 SER C . 10225 1 167 . 1 1 21 21 SER CA C 13 59.854 0.300 . 1 . . . . 21 SER CA . 10225 1 168 . 1 1 21 21 SER CB C 13 63.994 0.300 . 1 . . . . 21 SER CB . 10225 1 169 . 1 1 21 21 SER N N 15 114.221 0.300 . 1 . . . . 21 SER N . 10225 1 170 . 1 1 22 22 SER H H 1 7.490 0.030 . 1 . . . . 22 SER H . 10225 1 171 . 1 1 22 22 SER HA H 1 4.473 0.030 . 1 . . . . 22 SER HA . 10225 1 172 . 1 1 22 22 SER HB2 H 1 3.649 0.030 . 2 . . . . 22 SER HB2 . 10225 1 173 . 1 1 22 22 SER HB3 H 1 3.878 0.030 . 2 . . . . 22 SER HB3 . 10225 1 174 . 1 1 22 22 SER C C 13 173.228 0.300 . 1 . . . . 22 SER C . 10225 1 175 . 1 1 22 22 SER CA C 13 56.284 0.300 . 1 . . . . 22 SER CA . 10225 1 176 . 1 1 22 22 SER CB C 13 66.196 0.300 . 1 . . . . 22 SER CB . 10225 1 177 . 1 1 22 22 SER N N 15 113.081 0.300 . 1 . . . . 22 SER N . 10225 1 178 . 1 1 23 23 LYS H H 1 8.298 0.030 . 1 . . . . 23 LYS H . 10225 1 179 . 1 1 23 23 LYS HA H 1 3.376 0.030 . 1 . . . . 23 LYS HA . 10225 1 180 . 1 1 23 23 LYS HB2 H 1 1.590 0.030 . 2 . . . . 23 LYS HB2 . 10225 1 181 . 1 1 23 23 LYS HB3 H 1 1.351 0.030 . 2 . . . . 23 LYS HB3 . 10225 1 182 . 1 1 23 23 LYS HD2 H 1 1.692 0.030 . 2 . . . . 23 LYS HD2 . 10225 1 183 . 1 1 23 23 LYS HD3 H 1 1.634 0.030 . 2 . . . . 23 LYS HD3 . 10225 1 184 . 1 1 23 23 LYS HE2 H 1 2.977 0.030 . 2 . . . . 23 LYS HE2 . 10225 1 185 . 1 1 23 23 LYS HE3 H 1 2.940 0.030 . 2 . . . . 23 LYS HE3 . 10225 1 186 . 1 1 23 23 LYS HG2 H 1 1.326 0.030 . 2 . . . . 23 LYS HG2 . 10225 1 187 . 1 1 23 23 LYS HG3 H 1 1.212 0.030 . 2 . . . . 23 LYS HG3 . 10225 1 188 . 1 1 23 23 LYS C C 13 177.950 0.300 . 1 . . . . 23 LYS C . 10225 1 189 . 1 1 23 23 LYS CA C 13 58.783 0.300 . 1 . . . . 23 LYS CA . 10225 1 190 . 1 1 23 23 LYS CB C 13 31.851 0.300 . 1 . . . . 23 LYS CB . 10225 1 191 . 1 1 23 23 LYS CD C 13 29.355 0.300 . 1 . . . . 23 LYS CD . 10225 1 192 . 1 1 23 23 LYS CE C 13 42.219 0.300 . 1 . . . . 23 LYS CE . 10225 1 193 . 1 1 23 23 LYS CG C 13 24.978 0.300 . 1 . . . . 23 LYS CG . 10225 1 194 . 1 1 23 23 LYS N N 15 124.483 0.300 . 1 . . . . 23 LYS N . 10225 1 195 . 1 1 24 24 SER H H 1 8.124 0.030 . 1 . . . . 24 SER H . 10225 1 196 . 1 1 24 24 SER HA H 1 3.971 0.030 . 1 . . . . 24 SER HA . 10225 1 197 . 1 1 24 24 SER HB2 H 1 3.675 0.030 . 2 . . . . 24 SER HB2 . 10225 1 198 . 1 1 24 24 SER HB3 H 1 3.636 0.030 . 2 . . . . 24 SER HB3 . 10225 1 199 . 1 1 24 24 SER C C 13 176.849 0.300 . 1 . . . . 24 SER C . 10225 1 200 . 1 1 24 24 SER CA C 13 61.969 0.300 . 1 . . . . 24 SER CA . 10225 1 201 . 1 1 24 24 SER CB C 13 61.969 0.300 . 1 . . . . 24 SER CB . 10225 1 202 . 1 1 24 24 SER N N 15 113.002 0.300 . 1 . . . . 24 SER N . 10225 1 203 . 1 1 25 25 TYR H H 1 7.305 0.030 . 1 . . . . 25 TYR H . 10225 1 204 . 1 1 25 25 TYR HA H 1 4.325 0.030 . 1 . . . . 25 TYR HA . 10225 1 205 . 1 1 25 25 TYR HB2 H 1 3.256 0.030 . 2 . . . . 25 TYR HB2 . 10225 1 206 . 1 1 25 25 TYR HB3 H 1 3.042 0.030 . 2 . . . . 25 TYR HB3 . 10225 1 207 . 1 1 25 25 TYR HD1 H 1 7.224 0.030 . 1 . . . . 25 TYR HD1 . 10225 1 208 . 1 1 25 25 TYR HD2 H 1 7.224 0.030 . 1 . . . . 25 TYR HD2 . 10225 1 209 . 1 1 25 25 TYR HE1 H 1 6.862 0.030 . 1 . . . . 25 TYR HE1 . 10225 1 210 . 1 1 25 25 TYR HE2 H 1 6.862 0.030 . 1 . . . . 25 TYR HE2 . 10225 1 211 . 1 1 25 25 TYR C C 13 178.583 0.300 . 1 . . . . 25 TYR C . 10225 1 212 . 1 1 25 25 TYR CA C 13 59.396 0.300 . 1 . . . . 25 TYR CA . 10225 1 213 . 1 1 25 25 TYR CB C 13 37.560 0.300 . 1 . . . . 25 TYR CB . 10225 1 214 . 1 1 25 25 TYR CD1 C 13 132.145 0.300 . 1 . . . . 25 TYR CD1 . 10225 1 215 . 1 1 25 25 TYR CD2 C 13 132.145 0.300 . 1 . . . . 25 TYR CD2 . 10225 1 216 . 1 1 25 25 TYR CE1 C 13 118.299 0.300 . 1 . . . . 25 TYR CE1 . 10225 1 217 . 1 1 25 25 TYR CE2 C 13 118.299 0.300 . 1 . . . . 25 TYR CE2 . 10225 1 218 . 1 1 25 25 TYR N N 15 119.444 0.300 . 1 . . . . 25 TYR N . 10225 1 219 . 1 1 26 26 LEU H H 1 7.358 0.030 . 1 . . . . 26 LEU H . 10225 1 220 . 1 1 26 26 LEU HA H 1 3.339 0.030 . 1 . . . . 26 LEU HA . 10225 1 221 . 1 1 26 26 LEU HB2 H 1 1.436 0.030 . 2 . . . . 26 LEU HB2 . 10225 1 222 . 1 1 26 26 LEU HB3 H 1 2.115 0.030 . 2 . . . . 26 LEU HB3 . 10225 1 223 . 1 1 26 26 LEU HD11 H 1 1.009 0.030 . 1 . . . . 26 LEU HD1 . 10225 1 224 . 1 1 26 26 LEU HD12 H 1 1.009 0.030 . 1 . . . . 26 LEU HD1 . 10225 1 225 . 1 1 26 26 LEU HD13 H 1 1.009 0.030 . 1 . . . . 26 LEU HD1 . 10225 1 226 . 1 1 26 26 LEU HD21 H 1 0.980 0.030 . 1 . . . . 26 LEU HD2 . 10225 1 227 . 1 1 26 26 LEU HD22 H 1 0.980 0.030 . 1 . . . . 26 LEU HD2 . 10225 1 228 . 1 1 26 26 LEU HD23 H 1 0.980 0.030 . 1 . . . . 26 LEU HD2 . 10225 1 229 . 1 1 26 26 LEU HG H 1 1.483 0.030 . 1 . . . . 26 LEU HG . 10225 1 230 . 1 1 26 26 LEU C C 13 177.371 0.300 . 1 . . . . 26 LEU C . 10225 1 231 . 1 1 26 26 LEU CA C 13 58.191 0.300 . 1 . . . . 26 LEU CA . 10225 1 232 . 1 1 26 26 LEU CB C 13 40.695 0.300 . 1 . . . . 26 LEU CB . 10225 1 233 . 1 1 26 26 LEU CD1 C 13 26.586 0.300 . 2 . . . . 26 LEU CD1 . 10225 1 234 . 1 1 26 26 LEU CD2 C 13 22.890 0.300 . 2 . . . . 26 LEU CD2 . 10225 1 235 . 1 1 26 26 LEU CG C 13 27.486 0.300 . 1 . . . . 26 LEU CG . 10225 1 236 . 1 1 26 26 LEU N N 15 122.536 0.300 . 1 . . . . 26 LEU N . 10225 1 237 . 1 1 27 27 ILE H H 1 8.225 0.030 . 1 . . . . 27 ILE H . 10225 1 238 . 1 1 27 27 ILE HA H 1 3.778 0.030 . 1 . . . . 27 ILE HA . 10225 1 239 . 1 1 27 27 ILE HB H 1 1.852 0.030 . 1 . . . . 27 ILE HB . 10225 1 240 . 1 1 27 27 ILE HD11 H 1 0.786 0.030 . 1 . . . . 27 ILE HD1 . 10225 1 241 . 1 1 27 27 ILE HD12 H 1 0.786 0.030 . 1 . . . . 27 ILE HD1 . 10225 1 242 . 1 1 27 27 ILE HD13 H 1 0.786 0.030 . 1 . . . . 27 ILE HD1 . 10225 1 243 . 1 1 27 27 ILE HG12 H 1 1.213 0.030 . 2 . . . . 27 ILE HG12 . 10225 1 244 . 1 1 27 27 ILE HG13 H 1 1.608 0.030 . 2 . . . . 27 ILE HG13 . 10225 1 245 . 1 1 27 27 ILE HG21 H 1 0.873 0.030 . 1 . . . . 27 ILE HG2 . 10225 1 246 . 1 1 27 27 ILE HG22 H 1 0.873 0.030 . 1 . . . . 27 ILE HG2 . 10225 1 247 . 1 1 27 27 ILE HG23 H 1 0.873 0.030 . 1 . . . . 27 ILE HG2 . 10225 1 248 . 1 1 27 27 ILE C C 13 179.086 0.300 . 1 . . . . 27 ILE C . 10225 1 249 . 1 1 27 27 ILE CA C 13 64.790 0.300 . 1 . . . . 27 ILE CA . 10225 1 250 . 1 1 27 27 ILE CB C 13 37.725 0.300 . 1 . . . . 27 ILE CB . 10225 1 251 . 1 1 27 27 ILE CD1 C 13 13.064 0.300 . 1 . . . . 27 ILE CD1 . 10225 1 252 . 1 1 27 27 ILE CG1 C 13 29.076 0.300 . 1 . . . . 27 ILE CG1 . 10225 1 253 . 1 1 27 27 ILE CG2 C 13 17.194 0.300 . 1 . . . . 27 ILE CG2 . 10225 1 254 . 1 1 27 27 ILE N N 15 119.370 0.300 . 1 . . . . 27 ILE N . 10225 1 255 . 1 1 28 28 VAL H H 1 7.394 0.030 . 1 . . . . 28 VAL H . 10225 1 256 . 1 1 28 28 VAL HA H 1 3.507 0.030 . 1 . . . . 28 VAL HA . 10225 1 257 . 1 1 28 28 VAL HB H 1 1.960 0.030 . 1 . . . . 28 VAL HB . 10225 1 258 . 1 1 28 28 VAL HG11 H 1 0.922 0.030 . 1 . . . . 28 VAL HG1 . 10225 1 259 . 1 1 28 28 VAL HG12 H 1 0.922 0.030 . 1 . . . . 28 VAL HG1 . 10225 1 260 . 1 1 28 28 VAL HG13 H 1 0.922 0.030 . 1 . . . . 28 VAL HG1 . 10225 1 261 . 1 1 28 28 VAL HG21 H 1 1.033 0.030 . 1 . . . . 28 VAL HG2 . 10225 1 262 . 1 1 28 28 VAL HG22 H 1 1.033 0.030 . 1 . . . . 28 VAL HG2 . 10225 1 263 . 1 1 28 28 VAL HG23 H 1 1.033 0.030 . 1 . . . . 28 VAL HG2 . 10225 1 264 . 1 1 28 28 VAL C C 13 178.897 0.300 . 1 . . . . 28 VAL C . 10225 1 265 . 1 1 28 28 VAL CA C 13 66.606 0.300 . 1 . . . . 28 VAL CA . 10225 1 266 . 1 1 28 28 VAL CB C 13 31.929 0.300 . 1 . . . . 28 VAL CB . 10225 1 267 . 1 1 28 28 VAL CG1 C 13 21.181 0.300 . 2 . . . . 28 VAL CG1 . 10225 1 268 . 1 1 28 28 VAL CG2 C 13 22.603 0.300 . 2 . . . . 28 VAL CG2 . 10225 1 269 . 1 1 28 28 VAL N N 15 118.982 0.300 . 1 . . . . 28 VAL N . 10225 1 270 . 1 1 29 29 HIS H H 1 7.587 0.030 . 1 . . . . 29 HIS H . 10225 1 271 . 1 1 29 29 HIS HA H 1 4.134 0.030 . 1 . . . . 29 HIS HA . 10225 1 272 . 1 1 29 29 HIS HB2 H 1 2.679 0.030 . 2 . . . . 29 HIS HB2 . 10225 1 273 . 1 1 29 29 HIS HB3 H 1 3.042 0.030 . 2 . . . . 29 HIS HB3 . 10225 1 274 . 1 1 29 29 HIS HD2 H 1 6.808 0.030 . 1 . . . . 29 HIS HD2 . 10225 1 275 . 1 1 29 29 HIS HE1 H 1 8.041 0.030 . 1 . . . . 29 HIS HE1 . 10225 1 276 . 1 1 29 29 HIS C C 13 176.397 0.300 . 1 . . . . 29 HIS C . 10225 1 277 . 1 1 29 29 HIS CA C 13 59.312 0.300 . 1 . . . . 29 HIS CA . 10225 1 278 . 1 1 29 29 HIS CB C 13 27.959 0.300 . 1 . . . . 29 HIS CB . 10225 1 279 . 1 1 29 29 HIS CD2 C 13 127.109 0.300 . 1 . . . . 29 HIS CD2 . 10225 1 280 . 1 1 29 29 HIS CE1 C 13 139.318 0.300 . 1 . . . . 29 HIS CE1 . 10225 1 281 . 1 1 29 29 HIS N N 15 119.908 0.300 . 1 . . . . 29 HIS N . 10225 1 282 . 1 1 30 30 GLN H H 1 8.502 0.030 . 1 . . . . 30 GLN H . 10225 1 283 . 1 1 30 30 GLN HA H 1 3.615 0.030 . 1 . . . . 30 GLN HA . 10225 1 284 . 1 1 30 30 GLN HB2 H 1 2.308 0.030 . 2 . . . . 30 GLN HB2 . 10225 1 285 . 1 1 30 30 GLN HB3 H 1 2.205 0.030 . 2 . . . . 30 GLN HB3 . 10225 1 286 . 1 1 30 30 GLN HE21 H 1 7.707 0.030 . 2 . . . . 30 GLN HE21 . 10225 1 287 . 1 1 30 30 GLN HE22 H 1 6.944 0.030 . 2 . . . . 30 GLN HE22 . 10225 1 288 . 1 1 30 30 GLN HG2 H 1 2.933 0.030 . 2 . . . . 30 GLN HG2 . 10225 1 289 . 1 1 30 30 GLN HG3 H 1 2.788 0.030 . 2 . . . . 30 GLN HG3 . 10225 1 290 . 1 1 30 30 GLN C C 13 177.427 0.300 . 1 . . . . 30 GLN C . 10225 1 291 . 1 1 30 30 GLN CA C 13 59.579 0.300 . 1 . . . . 30 GLN CA . 10225 1 292 . 1 1 30 30 GLN CB C 13 28.227 0.300 . 1 . . . . 30 GLN CB . 10225 1 293 . 1 1 30 30 GLN CG C 13 36.144 0.300 . 1 . . . . 30 GLN CG . 10225 1 294 . 1 1 30 30 GLN N N 15 115.041 0.300 . 1 . . . . 30 GLN N . 10225 1 295 . 1 1 30 30 GLN NE2 N 15 112.605 0.300 . 1 . . . . 30 GLN NE2 . 10225 1 296 . 1 1 31 31 ARG H H 1 7.242 0.030 . 1 . . . . 31 ARG H . 10225 1 297 . 1 1 31 31 ARG HA H 1 4.142 0.030 . 1 . . . . 31 ARG HA . 10225 1 298 . 1 1 31 31 ARG HB2 H 1 1.899 0.030 . 2 . . . . 31 ARG HB2 . 10225 1 299 . 1 1 31 31 ARG HB3 H 1 1.790 0.030 . 2 . . . . 31 ARG HB3 . 10225 1 300 . 1 1 31 31 ARG HD2 H 1 3.192 0.030 . 1 . . . . 31 ARG HD2 . 10225 1 301 . 1 1 31 31 ARG HD3 H 1 3.192 0.030 . 1 . . . . 31 ARG HD3 . 10225 1 302 . 1 1 31 31 ARG HG2 H 1 1.917 0.030 . 2 . . . . 31 ARG HG2 . 10225 1 303 . 1 1 31 31 ARG HG3 H 1 1.661 0.030 . 2 . . . . 31 ARG HG3 . 10225 1 304 . 1 1 31 31 ARG C C 13 178.802 0.300 . 1 . . . . 31 ARG C . 10225 1 305 . 1 1 31 31 ARG CA C 13 58.548 0.300 . 1 . . . . 31 ARG CA . 10225 1 306 . 1 1 31 31 ARG CB C 13 30.083 0.300 . 1 . . . . 31 ARG CB . 10225 1 307 . 1 1 31 31 ARG CD C 13 43.533 0.300 . 1 . . . . 31 ARG CD . 10225 1 308 . 1 1 31 31 ARG CG C 13 27.926 0.300 . 1 . . . . 31 ARG CG . 10225 1 309 . 1 1 31 31 ARG N N 15 118.327 0.300 . 1 . . . . 31 ARG N . 10225 1 310 . 1 1 32 32 ILE H H 1 7.871 0.030 . 1 . . . . 32 ILE H . 10225 1 311 . 1 1 32 32 ILE HA H 1 3.947 0.030 . 1 . . . . 32 ILE HA . 10225 1 312 . 1 1 32 32 ILE HB H 1 1.653 0.030 . 1 . . . . 32 ILE HB . 10225 1 313 . 1 1 32 32 ILE HD11 H 1 0.713 0.030 . 1 . . . . 32 ILE HD1 . 10225 1 314 . 1 1 32 32 ILE HD12 H 1 0.713 0.030 . 1 . . . . 32 ILE HD1 . 10225 1 315 . 1 1 32 32 ILE HD13 H 1 0.713 0.030 . 1 . . . . 32 ILE HD1 . 10225 1 316 . 1 1 32 32 ILE HG12 H 1 0.920 0.030 . 2 . . . . 32 ILE HG12 . 10225 1 317 . 1 1 32 32 ILE HG13 H 1 0.794 0.030 . 2 . . . . 32 ILE HG13 . 10225 1 318 . 1 1 32 32 ILE HG21 H 1 0.574 0.030 . 1 . . . . 32 ILE HG2 . 10225 1 319 . 1 1 32 32 ILE HG22 H 1 0.574 0.030 . 1 . . . . 32 ILE HG2 . 10225 1 320 . 1 1 32 32 ILE HG23 H 1 0.574 0.030 . 1 . . . . 32 ILE HG2 . 10225 1 321 . 1 1 32 32 ILE C C 13 177.496 0.300 . 1 . . . . 32 ILE C . 10225 1 322 . 1 1 32 32 ILE CA C 13 63.124 0.300 . 1 . . . . 32 ILE CA . 10225 1 323 . 1 1 32 32 ILE CB C 13 37.609 0.300 . 1 . . . . 32 ILE CB . 10225 1 324 . 1 1 32 32 ILE CD1 C 13 14.348 0.300 . 1 . . . . 32 ILE CD1 . 10225 1 325 . 1 1 32 32 ILE CG1 C 13 26.746 0.300 . 1 . . . . 32 ILE CG1 . 10225 1 326 . 1 1 32 32 ILE CG2 C 13 16.425 0.300 . 1 . . . . 32 ILE CG2 . 10225 1 327 . 1 1 32 32 ILE N N 15 116.287 0.300 . 1 . . . . 32 ILE N . 10225 1 328 . 1 1 33 33 HIS H H 1 7.158 0.030 . 1 . . . . 33 HIS H . 10225 1 329 . 1 1 33 33 HIS HA H 1 4.846 0.030 . 1 . . . . 33 HIS HA . 10225 1 330 . 1 1 33 33 HIS HB2 H 1 3.344 0.030 . 2 . . . . 33 HIS HB2 . 10225 1 331 . 1 1 33 33 HIS HB3 H 1 3.243 0.030 . 2 . . . . 33 HIS HB3 . 10225 1 332 . 1 1 33 33 HIS HD2 H 1 6.751 0.030 . 1 . . . . 33 HIS HD2 . 10225 1 333 . 1 1 33 33 HIS HE1 H 1 8.052 0.030 . 1 . . . . 33 HIS HE1 . 10225 1 334 . 1 1 33 33 HIS C C 13 176.000 0.300 . 1 . . . . 33 HIS C . 10225 1 335 . 1 1 33 33 HIS CA C 13 55.125 0.300 . 1 . . . . 33 HIS CA . 10225 1 336 . 1 1 33 33 HIS CB C 13 28.536 0.300 . 1 . . . . 33 HIS CB . 10225 1 337 . 1 1 33 33 HIS CD2 C 13 127.577 0.300 . 1 . . . . 33 HIS CD2 . 10225 1 338 . 1 1 33 33 HIS CE1 C 13 139.996 0.300 . 1 . . . . 33 HIS CE1 . 10225 1 339 . 1 1 33 33 HIS N N 15 117.660 0.300 . 1 . . . . 33 HIS N . 10225 1 340 . 1 1 34 34 THR H H 1 7.811 0.030 . 1 . . . . 34 THR H . 10225 1 341 . 1 1 34 34 THR HA H 1 4.320 0.030 . 1 . . . . 34 THR HA . 10225 1 342 . 1 1 34 34 THR HB H 1 4.320 0.030 . 1 . . . . 34 THR HB . 10225 1 343 . 1 1 34 34 THR HG21 H 1 1.247 0.030 . 1 . . . . 34 THR HG2 . 10225 1 344 . 1 1 34 34 THR HG22 H 1 1.247 0.030 . 1 . . . . 34 THR HG2 . 10225 1 345 . 1 1 34 34 THR HG23 H 1 1.247 0.030 . 1 . . . . 34 THR HG2 . 10225 1 346 . 1 1 34 34 THR C C 13 175.641 0.300 . 1 . . . . 34 THR C . 10225 1 347 . 1 1 34 34 THR CA C 13 62.869 0.300 . 1 . . . . 34 THR CA . 10225 1 348 . 1 1 34 34 THR CB C 13 69.771 0.300 . 1 . . . . 34 THR CB . 10225 1 349 . 1 1 34 34 THR CG2 C 13 21.193 0.300 . 1 . . . . 34 THR CG2 . 10225 1 350 . 1 1 34 34 THR N N 15 112.089 0.300 . 1 . . . . 34 THR N . 10225 1 351 . 1 1 35 35 GLY H H 1 8.210 0.030 . 1 . . . . 35 GLY H . 10225 1 352 . 1 1 35 35 GLY HA2 H 1 4.019 0.030 . 2 . . . . 35 GLY HA2 . 10225 1 353 . 1 1 35 35 GLY HA3 H 1 3.944 0.030 . 2 . . . . 35 GLY HA3 . 10225 1 354 . 1 1 35 35 GLY C C 13 174.359 0.300 . 1 . . . . 35 GLY C . 10225 1 355 . 1 1 35 35 GLY CA C 13 45.494 0.300 . 1 . . . . 35 GLY CA . 10225 1 356 . 1 1 35 35 GLY N N 15 110.437 0.300 . 1 . . . . 35 GLY N . 10225 1 357 . 1 1 36 36 GLU H H 1 8.085 0.030 . 1 . . . . 36 GLU H . 10225 1 358 . 1 1 36 36 GLU HA H 1 4.214 0.030 . 1 . . . . 36 GLU HA . 10225 1 359 . 1 1 36 36 GLU HB2 H 1 2.004 0.030 . 2 . . . . 36 GLU HB2 . 10225 1 360 . 1 1 36 36 GLU HB3 H 1 1.953 0.030 . 2 . . . . 36 GLU HB3 . 10225 1 361 . 1 1 36 36 GLU HG2 H 1 2.272 0.030 . 2 . . . . 36 GLU HG2 . 10225 1 362 . 1 1 36 36 GLU HG3 H 1 2.216 0.030 . 2 . . . . 36 GLU HG3 . 10225 1 363 . 1 1 36 36 GLU C C 13 176.485 0.300 . 1 . . . . 36 GLU C . 10225 1 364 . 1 1 36 36 GLU CA C 13 56.691 0.300 . 1 . . . . 36 GLU CA . 10225 1 365 . 1 1 36 36 GLU CB C 13 30.455 0.300 . 1 . . . . 36 GLU CB . 10225 1 366 . 1 1 36 36 GLU CG C 13 36.287 0.300 . 1 . . . . 36 GLU CG . 10225 1 367 . 1 1 36 36 GLU N N 15 120.789 0.300 . 1 . . . . 36 GLU N . 10225 1 368 . 1 1 37 37 LYS H H 1 8.316 0.030 . 1 . . . . 37 LYS H . 10225 1 369 . 1 1 37 37 LYS HA H 1 4.313 0.030 . 1 . . . . 37 LYS HA . 10225 1 370 . 1 1 37 37 LYS HB2 H 1 1.831 0.030 . 2 . . . . 37 LYS HB2 . 10225 1 371 . 1 1 37 37 LYS HB3 H 1 1.758 0.030 . 2 . . . . 37 LYS HB3 . 10225 1 372 . 1 1 37 37 LYS HD2 H 1 1.668 0.030 . 1 . . . . 37 LYS HD2 . 10225 1 373 . 1 1 37 37 LYS HD3 H 1 1.668 0.030 . 1 . . . . 37 LYS HD3 . 10225 1 374 . 1 1 37 37 LYS HE2 H 1 2.962 0.030 . 1 . . . . 37 LYS HE2 . 10225 1 375 . 1 1 37 37 LYS HE3 H 1 2.962 0.030 . 1 . . . . 37 LYS HE3 . 10225 1 376 . 1 1 37 37 LYS HG2 H 1 1.457 0.030 . 2 . . . . 37 LYS HG2 . 10225 1 377 . 1 1 37 37 LYS HG3 H 1 1.399 0.030 . 2 . . . . 37 LYS HG3 . 10225 1 378 . 1 1 37 37 LYS C C 13 176.554 0.300 . 1 . . . . 37 LYS C . 10225 1 379 . 1 1 37 37 LYS CA C 13 56.270 0.300 . 1 . . . . 37 LYS CA . 10225 1 380 . 1 1 37 37 LYS CB C 13 32.830 0.300 . 1 . . . . 37 LYS CB . 10225 1 381 . 1 1 37 37 LYS CD C 13 28.999 0.300 . 1 . . . . 37 LYS CD . 10225 1 382 . 1 1 37 37 LYS CE C 13 42.203 0.300 . 1 . . . . 37 LYS CE . 10225 1 383 . 1 1 37 37 LYS CG C 13 24.678 0.300 . 1 . . . . 37 LYS CG . 10225 1 384 . 1 1 37 37 LYS N N 15 122.204 0.300 . 1 . . . . 37 LYS N . 10225 1 385 . 1 1 38 38 LEU H H 1 8.295 0.030 . 1 . . . . 38 LEU H . 10225 1 386 . 1 1 38 38 LEU HA H 1 4.390 0.030 . 1 . . . . 38 LEU HA . 10225 1 387 . 1 1 38 38 LEU HB2 H 1 1.663 0.030 . 2 . . . . 38 LEU HB2 . 10225 1 388 . 1 1 38 38 LEU HB3 H 1 1.598 0.030 . 2 . . . . 38 LEU HB3 . 10225 1 389 . 1 1 38 38 LEU HD11 H 1 0.911 0.030 . 1 . . . . 38 LEU HD1 . 10225 1 390 . 1 1 38 38 LEU HD12 H 1 0.911 0.030 . 1 . . . . 38 LEU HD1 . 10225 1 391 . 1 1 38 38 LEU HD13 H 1 0.911 0.030 . 1 . . . . 38 LEU HD1 . 10225 1 392 . 1 1 38 38 LEU HD21 H 1 0.850 0.030 . 1 . . . . 38 LEU HD2 . 10225 1 393 . 1 1 38 38 LEU HD22 H 1 0.850 0.030 . 1 . . . . 38 LEU HD2 . 10225 1 394 . 1 1 38 38 LEU HD23 H 1 0.850 0.030 . 1 . . . . 38 LEU HD2 . 10225 1 395 . 1 1 38 38 LEU HG H 1 1.623 0.030 . 1 . . . . 38 LEU HG . 10225 1 396 . 1 1 38 38 LEU C C 13 177.408 0.300 . 1 . . . . 38 LEU C . 10225 1 397 . 1 1 38 38 LEU CA C 13 55.081 0.300 . 1 . . . . 38 LEU CA . 10225 1 398 . 1 1 38 38 LEU CB C 13 42.248 0.300 . 1 . . . . 38 LEU CB . 10225 1 399 . 1 1 38 38 LEU CD1 C 13 24.978 0.300 . 2 . . . . 38 LEU CD1 . 10225 1 400 . 1 1 38 38 LEU CD2 C 13 23.370 0.300 . 2 . . . . 38 LEU CD2 . 10225 1 401 . 1 1 38 38 LEU CG C 13 27.211 0.300 . 1 . . . . 38 LEU CG . 10225 1 402 . 1 1 38 38 LEU N N 15 123.561 0.300 . 1 . . . . 38 LEU N . 10225 1 403 . 1 1 39 39 SER H H 1 8.293 0.030 . 1 . . . . 39 SER H . 10225 1 404 . 1 1 39 39 SER HA H 1 4.487 0.030 . 1 . . . . 39 SER HA . 10225 1 405 . 1 1 39 39 SER HB2 H 1 3.857 0.030 . 1 . . . . 39 SER HB2 . 10225 1 406 . 1 1 39 39 SER HB3 H 1 3.857 0.030 . 1 . . . . 39 SER HB3 . 10225 1 407 . 1 1 39 39 SER C C 13 174.479 0.300 . 1 . . . . 39 SER C . 10225 1 408 . 1 1 39 39 SER CA C 13 58.221 0.300 . 1 . . . . 39 SER CA . 10225 1 409 . 1 1 39 39 SER CB C 13 63.918 0.300 . 1 . . . . 39 SER CB . 10225 1 410 . 1 1 39 39 SER N N 15 116.483 0.300 . 1 . . . . 39 SER N . 10225 1 411 . 1 1 40 40 GLY H H 1 8.210 0.030 . 1 . . . . 40 GLY H . 10225 1 412 . 1 1 40 40 GLY HA2 H 1 4.163 0.030 . 2 . . . . 40 GLY HA2 . 10225 1 413 . 1 1 40 40 GLY HA3 H 1 4.097 0.030 . 2 . . . . 40 GLY HA3 . 10225 1 414 . 1 1 40 40 GLY C C 13 171.732 0.300 . 1 . . . . 40 GLY C . 10225 1 415 . 1 1 40 40 GLY CA C 13 44.672 0.300 . 1 . . . . 40 GLY CA . 10225 1 416 . 1 1 40 40 GLY N N 15 110.630 0.300 . 1 . . . . 40 GLY N . 10225 1 417 . 1 1 41 41 PRO HA H 1 4.476 0.030 . 1 . . . . 41 PRO HA . 10225 1 418 . 1 1 41 41 PRO HB2 H 1 1.968 0.030 . 2 . . . . 41 PRO HB2 . 10225 1 419 . 1 1 41 41 PRO HB3 H 1 2.295 0.030 . 2 . . . . 41 PRO HB3 . 10225 1 420 . 1 1 41 41 PRO HD2 H 1 3.627 0.030 . 1 . . . . 41 PRO HD2 . 10225 1 421 . 1 1 41 41 PRO HD3 H 1 3.627 0.030 . 1 . . . . 41 PRO HD3 . 10225 1 422 . 1 1 41 41 PRO HG2 H 1 2.017 0.030 . 1 . . . . 41 PRO HG2 . 10225 1 423 . 1 1 41 41 PRO HG3 H 1 2.017 0.030 . 1 . . . . 41 PRO HG3 . 10225 1 424 . 1 1 41 41 PRO C C 13 177.357 0.300 . 1 . . . . 41 PRO C . 10225 1 425 . 1 1 41 41 PRO CA C 13 63.215 0.300 . 1 . . . . 41 PRO CA . 10225 1 426 . 1 1 41 41 PRO CB C 13 32.212 0.300 . 1 . . . . 41 PRO CB . 10225 1 427 . 1 1 41 41 PRO CD C 13 49.791 0.300 . 1 . . . . 41 PRO CD . 10225 1 428 . 1 1 41 41 PRO CG C 13 27.142 0.300 . 1 . . . . 41 PRO CG . 10225 1 429 . 1 1 42 42 SER H H 1 8.535 0.030 . 1 . . . . 42 SER H . 10225 1 430 . 1 1 42 42 SER HA H 1 4.470 0.030 . 1 . . . . 42 SER HA . 10225 1 431 . 1 1 42 42 SER HB2 H 1 3.879 0.030 . 1 . . . . 42 SER HB2 . 10225 1 432 . 1 1 42 42 SER HB3 H 1 3.879 0.030 . 1 . . . . 42 SER HB3 . 10225 1 433 . 1 1 42 42 SER C C 13 174.589 0.300 . 1 . . . . 42 SER C . 10225 1 434 . 1 1 42 42 SER CA C 13 58.435 0.300 . 1 . . . . 42 SER CA . 10225 1 435 . 1 1 42 42 SER CB C 13 63.984 0.300 . 1 . . . . 42 SER CB . 10225 1 436 . 1 1 42 42 SER N N 15 116.375 0.300 . 1 . . . . 42 SER N . 10225 1 437 . 1 1 43 43 SER H H 1 8.303 0.030 . 1 . . . . 43 SER H . 10225 1 438 . 1 1 43 43 SER HA H 1 4.457 0.030 . 1 . . . . 43 SER HA . 10225 1 439 . 1 1 43 43 SER HB2 H 1 3.860 0.030 . 1 . . . . 43 SER HB2 . 10225 1 440 . 1 1 43 43 SER HB3 H 1 3.860 0.030 . 1 . . . . 43 SER HB3 . 10225 1 441 . 1 1 43 43 SER C C 13 173.896 0.300 . 1 . . . . 43 SER C . 10225 1 442 . 1 1 43 43 SER CA C 13 58.281 0.300 . 1 . . . . 43 SER CA . 10225 1 443 . 1 1 43 43 SER CB C 13 64.036 0.300 . 1 . . . . 43 SER CB . 10225 1 444 . 1 1 43 43 SER N N 15 117.817 0.300 . 1 . . . . 43 SER N . 10225 1 445 . 1 1 44 44 GLY H H 1 8.050 0.030 . 1 . . . . 44 GLY H . 10225 1 446 . 1 1 44 44 GLY C C 13 178.954 0.300 . 1 . . . . 44 GLY C . 10225 1 447 . 1 1 44 44 GLY CA C 13 46.178 0.300 . 1 . . . . 44 GLY CA . 10225 1 448 . 1 1 44 44 GLY N N 15 116.847 0.300 . 1 . . . . 44 GLY N . 10225 1 stop_ save_