################################### # 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 11328 _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 15N-separated NOESY' 1 $sample_1 isotropic 11328 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11328 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XWINNMR . . 11328 1 2 $NMRPipe . . 11328 1 3 $NMRView . . 11328 1 4 $Kujira . . 11328 1 5 $CYANA . . 11328 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 7 7 GLY H H 1 8.317 0.030 . 1 . . . . 7 GLY H . 11328 1 2 . 1 1 7 7 GLY HA2 H 1 3.906 0.030 . 2 . . . . 7 GLY HA2 . 11328 1 3 . 1 1 7 7 GLY HA3 H 1 3.857 0.030 . 2 . . . . 7 GLY HA3 . 11328 1 4 . 1 1 7 7 GLY CA C 13 45.349 0.300 . 1 . . . . 7 GLY CA . 11328 1 5 . 1 1 7 7 GLY N N 15 110.501 0.300 . 1 . . . . 7 GLY N . 11328 1 6 . 1 1 8 8 LEU H H 1 7.869 0.030 . 1 . . . . 8 LEU H . 11328 1 7 . 1 1 8 8 LEU HA H 1 4.301 0.030 . 1 . . . . 8 LEU HA . 11328 1 8 . 1 1 8 8 LEU HB2 H 1 1.344 0.030 . 2 . . . . 8 LEU HB2 . 11328 1 9 . 1 1 8 8 LEU HB3 H 1 0.763 0.030 . 2 . . . . 8 LEU HB3 . 11328 1 10 . 1 1 8 8 LEU HD11 H 1 0.805 0.030 . 1 . . . . 8 LEU HD1 . 11328 1 11 . 1 1 8 8 LEU HD12 H 1 0.805 0.030 . 1 . . . . 8 LEU HD1 . 11328 1 12 . 1 1 8 8 LEU HD13 H 1 0.805 0.030 . 1 . . . . 8 LEU HD1 . 11328 1 13 . 1 1 8 8 LEU HD21 H 1 0.740 0.030 . 1 . . . . 8 LEU HD2 . 11328 1 14 . 1 1 8 8 LEU HD22 H 1 0.740 0.030 . 1 . . . . 8 LEU HD2 . 11328 1 15 . 1 1 8 8 LEU HD23 H 1 0.740 0.030 . 1 . . . . 8 LEU HD2 . 11328 1 16 . 1 1 8 8 LEU HG H 1 1.448 0.030 . 1 . . . . 8 LEU HG . 11328 1 17 . 1 1 8 8 LEU C C 13 176.614 0.300 . 1 . . . . 8 LEU C . 11328 1 18 . 1 1 8 8 LEU CA C 13 52.390 0.300 . 1 . . . . 8 LEU CA . 11328 1 19 . 1 1 8 8 LEU CB C 13 40.900 0.300 . 1 . . . . 8 LEU CB . 11328 1 20 . 1 1 8 8 LEU CD1 C 13 25.156 0.300 . 2 . . . . 8 LEU CD1 . 11328 1 21 . 1 1 8 8 LEU CD2 C 13 22.716 0.300 . 2 . . . . 8 LEU CD2 . 11328 1 22 . 1 1 8 8 LEU CG C 13 26.959 0.300 . 1 . . . . 8 LEU CG . 11328 1 23 . 1 1 8 8 LEU N N 15 122.372 0.300 . 1 . . . . 8 LEU N . 11328 1 24 . 1 1 9 9 PRO HA H 1 4.388 0.030 . 1 . . . . 9 PRO HA . 11328 1 25 . 1 1 9 9 PRO HB2 H 1 1.777 0.030 . 2 . . . . 9 PRO HB2 . 11328 1 26 . 1 1 9 9 PRO HB3 H 1 2.059 0.030 . 2 . . . . 9 PRO HB3 . 11328 1 27 . 1 1 9 9 PRO HD2 H 1 3.370 0.030 . 2 . . . . 9 PRO HD2 . 11328 1 28 . 1 1 9 9 PRO HD3 H 1 2.673 0.030 . 2 . . . . 9 PRO HD3 . 11328 1 29 . 1 1 9 9 PRO HG2 H 1 1.125 0.030 . 2 . . . . 9 PRO HG2 . 11328 1 30 . 1 1 9 9 PRO HG3 H 1 1.691 0.030 . 2 . . . . 9 PRO HG3 . 11328 1 31 . 1 1 9 9 PRO C C 13 174.952 0.300 . 1 . . . . 9 PRO C . 11328 1 32 . 1 1 9 9 PRO CA C 13 63.256 0.300 . 1 . . . . 9 PRO CA . 11328 1 33 . 1 1 9 9 PRO CB C 13 30.262 0.300 . 1 . . . . 9 PRO CB . 11328 1 34 . 1 1 9 9 PRO CD C 13 49.562 0.300 . 1 . . . . 9 PRO CD . 11328 1 35 . 1 1 9 9 PRO CG C 13 26.434 0.300 . 1 . . . . 9 PRO CG . 11328 1 36 . 1 1 10 10 TRP H H 1 7.103 0.030 . 1 . . . . 10 TRP H . 11328 1 37 . 1 1 10 10 TRP HA H 1 5.015 0.030 . 1 . . . . 10 TRP HA . 11328 1 38 . 1 1 10 10 TRP HB2 H 1 2.894 0.030 . 2 . . . . 10 TRP HB2 . 11328 1 39 . 1 1 10 10 TRP HB3 H 1 3.171 0.030 . 2 . . . . 10 TRP HB3 . 11328 1 40 . 1 1 10 10 TRP HD1 H 1 6.949 0.030 . 1 . . . . 10 TRP HD1 . 11328 1 41 . 1 1 10 10 TRP HE1 H 1 10.048 0.030 . 1 . . . . 10 TRP HE1 . 11328 1 42 . 1 1 10 10 TRP HE3 H 1 7.443 0.030 . 1 . . . . 10 TRP HE3 . 11328 1 43 . 1 1 10 10 TRP HH2 H 1 7.181 0.030 . 1 . . . . 10 TRP HH2 . 11328 1 44 . 1 1 10 10 TRP HZ2 H 1 7.408 0.030 . 1 . . . . 10 TRP HZ2 . 11328 1 45 . 1 1 10 10 TRP HZ3 H 1 7.123 0.030 . 1 . . . . 10 TRP HZ3 . 11328 1 46 . 1 1 10 10 TRP C C 13 174.539 0.300 . 1 . . . . 10 TRP C . 11328 1 47 . 1 1 10 10 TRP CA C 13 54.194 0.300 . 1 . . . . 10 TRP CA . 11328 1 48 . 1 1 10 10 TRP CB C 13 31.389 0.300 . 1 . . . . 10 TRP CB . 11328 1 49 . 1 1 10 10 TRP CD1 C 13 125.502 0.300 . 1 . . . . 10 TRP CD1 . 11328 1 50 . 1 1 10 10 TRP CE3 C 13 121.141 0.300 . 1 . . . . 10 TRP CE3 . 11328 1 51 . 1 1 10 10 TRP CH2 C 13 124.584 0.300 . 1 . . . . 10 TRP CH2 . 11328 1 52 . 1 1 10 10 TRP CZ2 C 13 114.588 0.300 . 1 . . . . 10 TRP CZ2 . 11328 1 53 . 1 1 10 10 TRP CZ3 C 13 121.830 0.300 . 1 . . . . 10 TRP CZ3 . 11328 1 54 . 1 1 10 10 TRP N N 15 119.826 0.300 . 1 . . . . 10 TRP N . 11328 1 55 . 1 1 10 10 TRP NE1 N 15 128.749 0.300 . 1 . . . . 10 TRP NE1 . 11328 1 56 . 1 1 11 11 CYS H H 1 9.433 0.030 . 1 . . . . 11 CYS H . 11328 1 57 . 1 1 11 11 CYS HA H 1 3.739 0.030 . 1 . . . . 11 CYS HA . 11328 1 58 . 1 1 11 11 CYS HB2 H 1 2.647 0.030 . 2 . . . . 11 CYS HB2 . 11328 1 59 . 1 1 11 11 CYS HB3 H 1 3.217 0.030 . 2 . . . . 11 CYS HB3 . 11328 1 60 . 1 1 11 11 CYS C C 13 177.331 0.300 . 1 . . . . 11 CYS C . 11328 1 61 . 1 1 11 11 CYS CA C 13 60.130 0.300 . 1 . . . . 11 CYS CA . 11328 1 62 . 1 1 11 11 CYS CB C 13 30.531 0.300 . 1 . . . . 11 CYS CB . 11328 1 63 . 1 1 11 11 CYS N N 15 122.118 0.300 . 1 . . . . 11 CYS N . 11328 1 64 . 1 1 12 12 CYS H H 1 9.008 0.030 . 1 . . . . 12 CYS H . 11328 1 65 . 1 1 12 12 CYS HA H 1 4.399 0.030 . 1 . . . . 12 CYS HA . 11328 1 66 . 1 1 12 12 CYS HB2 H 1 2.863 0.030 . 2 . . . . 12 CYS HB2 . 11328 1 67 . 1 1 12 12 CYS HB3 H 1 3.174 0.030 . 2 . . . . 12 CYS HB3 . 11328 1 68 . 1 1 12 12 CYS C C 13 174.112 0.300 . 1 . . . . 12 CYS C . 11328 1 69 . 1 1 12 12 CYS CA C 13 60.255 0.300 . 1 . . . . 12 CYS CA . 11328 1 70 . 1 1 12 12 CYS CB C 13 27.576 0.300 . 1 . . . . 12 CYS CB . 11328 1 71 . 1 1 12 12 CYS N N 15 128.164 0.300 . 1 . . . . 12 CYS N . 11328 1 72 . 1 1 13 13 ILE H H 1 9.029 0.030 . 1 . . . . 13 ILE H . 11328 1 73 . 1 1 13 13 ILE HA H 1 4.335 0.030 . 1 . . . . 13 ILE HA . 11328 1 74 . 1 1 13 13 ILE HB H 1 2.874 0.030 . 1 . . . . 13 ILE HB . 11328 1 75 . 1 1 13 13 ILE HD11 H 1 0.862 0.030 . 1 . . . . 13 ILE HD1 . 11328 1 76 . 1 1 13 13 ILE HD12 H 1 0.862 0.030 . 1 . . . . 13 ILE HD1 . 11328 1 77 . 1 1 13 13 ILE HD13 H 1 0.862 0.030 . 1 . . . . 13 ILE HD1 . 11328 1 78 . 1 1 13 13 ILE HG12 H 1 1.763 0.030 . 2 . . . . 13 ILE HG12 . 11328 1 79 . 1 1 13 13 ILE HG13 H 1 1.834 0.030 . 2 . . . . 13 ILE HG13 . 11328 1 80 . 1 1 13 13 ILE HG21 H 1 0.941 0.030 . 1 . . . . 13 ILE HG2 . 11328 1 81 . 1 1 13 13 ILE HG22 H 1 0.941 0.030 . 1 . . . . 13 ILE HG2 . 11328 1 82 . 1 1 13 13 ILE HG23 H 1 0.941 0.030 . 1 . . . . 13 ILE HG2 . 11328 1 83 . 1 1 13 13 ILE C C 13 177.539 0.300 . 1 . . . . 13 ILE C . 11328 1 84 . 1 1 13 13 ILE CA C 13 61.972 0.300 . 1 . . . . 13 ILE CA . 11328 1 85 . 1 1 13 13 ILE CB C 13 36.527 0.300 . 1 . . . . 13 ILE CB . 11328 1 86 . 1 1 13 13 ILE CD1 C 13 10.293 0.300 . 1 . . . . 13 ILE CD1 . 11328 1 87 . 1 1 13 13 ILE CG1 C 13 27.428 0.300 . 1 . . . . 13 ILE CG1 . 11328 1 88 . 1 1 13 13 ILE CG2 C 13 17.752 0.300 . 1 . . . . 13 ILE CG2 . 11328 1 89 . 1 1 13 13 ILE N N 15 126.802 0.300 . 1 . . . . 13 ILE N . 11328 1 90 . 1 1 14 14 CYS H H 1 8.177 0.030 . 1 . . . . 14 CYS H . 11328 1 91 . 1 1 14 14 CYS HA H 1 4.844 0.030 . 1 . . . . 14 CYS HA . 11328 1 92 . 1 1 14 14 CYS HB2 H 1 2.584 0.030 . 2 . . . . 14 CYS HB2 . 11328 1 93 . 1 1 14 14 CYS HB3 H 1 3.255 0.030 . 2 . . . . 14 CYS HB3 . 11328 1 94 . 1 1 14 14 CYS C C 13 176.305 0.300 . 1 . . . . 14 CYS C . 11328 1 95 . 1 1 14 14 CYS CA C 13 59.436 0.300 . 1 . . . . 14 CYS CA . 11328 1 96 . 1 1 14 14 CYS CB C 13 33.155 0.300 . 1 . . . . 14 CYS CB . 11328 1 97 . 1 1 14 14 CYS N N 15 118.675 0.300 . 1 . . . . 14 CYS N . 11328 1 98 . 1 1 15 15 ASN H H 1 7.830 0.030 . 1 . . . . 15 ASN H . 11328 1 99 . 1 1 15 15 ASN HA H 1 4.376 0.030 . 1 . . . . 15 ASN HA . 11328 1 100 . 1 1 15 15 ASN HB2 H 1 2.418 0.030 . 2 . . . . 15 ASN HB2 . 11328 1 101 . 1 1 15 15 ASN HB3 H 1 2.725 0.030 . 2 . . . . 15 ASN HB3 . 11328 1 102 . 1 1 15 15 ASN HD21 H 1 6.560 0.030 . 2 . . . . 15 ASN HD21 . 11328 1 103 . 1 1 15 15 ASN HD22 H 1 6.998 0.030 . 2 . . . . 15 ASN HD22 . 11328 1 104 . 1 1 15 15 ASN C C 13 173.859 0.300 . 1 . . . . 15 ASN C . 11328 1 105 . 1 1 15 15 ASN CA C 13 55.364 0.300 . 1 . . . . 15 ASN CA . 11328 1 106 . 1 1 15 15 ASN CB C 13 37.990 0.300 . 1 . . . . 15 ASN CB . 11328 1 107 . 1 1 15 15 ASN N N 15 116.679 0.300 . 1 . . . . 15 ASN N . 11328 1 108 . 1 1 15 15 ASN ND2 N 15 110.954 0.300 . 1 . . . . 15 ASN ND2 . 11328 1 109 . 1 1 16 16 GLU H H 1 8.727 0.030 . 1 . . . . 16 GLU H . 11328 1 110 . 1 1 16 16 GLU HA H 1 4.454 0.030 . 1 . . . . 16 GLU HA . 11328 1 111 . 1 1 16 16 GLU HB2 H 1 2.260 0.030 . 2 . . . . 16 GLU HB2 . 11328 1 112 . 1 1 16 16 GLU HB3 H 1 2.147 0.030 . 2 . . . . 16 GLU HB3 . 11328 1 113 . 1 1 16 16 GLU HG2 H 1 2.534 0.030 . 2 . . . . 16 GLU HG2 . 11328 1 114 . 1 1 16 16 GLU HG3 H 1 2.285 0.030 . 2 . . . . 16 GLU HG3 . 11328 1 115 . 1 1 16 16 GLU C C 13 175.167 0.300 . 1 . . . . 16 GLU C . 11328 1 116 . 1 1 16 16 GLU CA C 13 56.366 0.300 . 1 . . . . 16 GLU CA . 11328 1 117 . 1 1 16 16 GLU CB C 13 29.682 0.300 . 1 . . . . 16 GLU CB . 11328 1 118 . 1 1 16 16 GLU CG C 13 37.457 0.300 . 1 . . . . 16 GLU CG . 11328 1 119 . 1 1 16 16 GLU N N 15 120.249 0.300 . 1 . . . . 16 GLU N . 11328 1 120 . 1 1 17 17 ASP H H 1 8.429 0.030 . 1 . . . . 17 ASP H . 11328 1 121 . 1 1 17 17 ASP HA H 1 4.568 0.030 . 1 . . . . 17 ASP HA . 11328 1 122 . 1 1 17 17 ASP HB2 H 1 2.662 0.030 . 2 . . . . 17 ASP HB2 . 11328 1 123 . 1 1 17 17 ASP HB3 H 1 2.587 0.030 . 2 . . . . 17 ASP HB3 . 11328 1 124 . 1 1 17 17 ASP C C 13 175.794 0.300 . 1 . . . . 17 ASP C . 11328 1 125 . 1 1 17 17 ASP CA C 13 56.627 0.300 . 1 . . . . 17 ASP CA . 11328 1 126 . 1 1 17 17 ASP CB C 13 40.649 0.300 . 1 . . . . 17 ASP CB . 11328 1 127 . 1 1 17 17 ASP N N 15 118.895 0.300 . 1 . . . . 17 ASP N . 11328 1 128 . 1 1 18 18 ALA H H 1 8.439 0.030 . 1 . . . . 18 ALA H . 11328 1 129 . 1 1 18 18 ALA HA H 1 4.079 0.030 . 1 . . . . 18 ALA HA . 11328 1 130 . 1 1 18 18 ALA HB1 H 1 1.031 0.030 . 1 . . . . 18 ALA HB . 11328 1 131 . 1 1 18 18 ALA HB2 H 1 1.031 0.030 . 1 . . . . 18 ALA HB . 11328 1 132 . 1 1 18 18 ALA HB3 H 1 1.031 0.030 . 1 . . . . 18 ALA HB . 11328 1 133 . 1 1 18 18 ALA C C 13 177.002 0.300 . 1 . . . . 18 ALA C . 11328 1 134 . 1 1 18 18 ALA CA C 13 51.521 0.300 . 1 . . . . 18 ALA CA . 11328 1 135 . 1 1 18 18 ALA CB C 13 21.868 0.300 . 1 . . . . 18 ALA CB . 11328 1 136 . 1 1 18 18 ALA N N 15 122.830 0.300 . 1 . . . . 18 ALA N . 11328 1 137 . 1 1 19 19 THR H H 1 8.274 0.030 . 1 . . . . 19 THR H . 11328 1 138 . 1 1 19 19 THR HA H 1 4.990 0.030 . 1 . . . . 19 THR HA . 11328 1 139 . 1 1 19 19 THR HB H 1 4.505 0.030 . 1 . . . . 19 THR HB . 11328 1 140 . 1 1 19 19 THR HG21 H 1 1.255 0.030 . 1 . . . . 19 THR HG2 . 11328 1 141 . 1 1 19 19 THR HG22 H 1 1.255 0.030 . 1 . . . . 19 THR HG2 . 11328 1 142 . 1 1 19 19 THR HG23 H 1 1.255 0.030 . 1 . . . . 19 THR HG2 . 11328 1 143 . 1 1 19 19 THR C C 13 175.510 0.300 . 1 . . . . 19 THR C . 11328 1 144 . 1 1 19 19 THR CA C 13 61.627 0.300 . 1 . . . . 19 THR CA . 11328 1 145 . 1 1 19 19 THR CB C 13 70.307 0.300 . 1 . . . . 19 THR CB . 11328 1 146 . 1 1 19 19 THR CG2 C 13 22.574 0.300 . 1 . . . . 19 THR CG2 . 11328 1 147 . 1 1 19 19 THR N N 15 106.035 0.300 . 1 . . . . 19 THR N . 11328 1 148 . 1 1 20 20 LEU H H 1 8.680 0.030 . 1 . . . . 20 LEU H . 11328 1 149 . 1 1 20 20 LEU HA H 1 5.061 0.030 . 1 . . . . 20 LEU HA . 11328 1 150 . 1 1 20 20 LEU HB2 H 1 1.112 0.030 . 2 . . . . 20 LEU HB2 . 11328 1 151 . 1 1 20 20 LEU HB3 H 1 1.510 0.030 . 2 . . . . 20 LEU HB3 . 11328 1 152 . 1 1 20 20 LEU HD11 H 1 0.370 0.030 . 1 . . . . 20 LEU HD1 . 11328 1 153 . 1 1 20 20 LEU HD12 H 1 0.370 0.030 . 1 . . . . 20 LEU HD1 . 11328 1 154 . 1 1 20 20 LEU HD13 H 1 0.370 0.030 . 1 . . . . 20 LEU HD1 . 11328 1 155 . 1 1 20 20 LEU HD21 H 1 0.484 0.030 . 1 . . . . 20 LEU HD2 . 11328 1 156 . 1 1 20 20 LEU HD22 H 1 0.484 0.030 . 1 . . . . 20 LEU HD2 . 11328 1 157 . 1 1 20 20 LEU HD23 H 1 0.484 0.030 . 1 . . . . 20 LEU HD2 . 11328 1 158 . 1 1 20 20 LEU HG H 1 1.539 0.030 . 1 . . . . 20 LEU HG . 11328 1 159 . 1 1 20 20 LEU C C 13 174.022 0.300 . 1 . . . . 20 LEU C . 11328 1 160 . 1 1 20 20 LEU CA C 13 54.523 0.300 . 1 . . . . 20 LEU CA . 11328 1 161 . 1 1 20 20 LEU CB C 13 46.928 0.300 . 1 . . . . 20 LEU CB . 11328 1 162 . 1 1 20 20 LEU CD1 C 13 25.657 0.300 . 2 . . . . 20 LEU CD1 . 11328 1 163 . 1 1 20 20 LEU CD2 C 13 24.000 0.300 . 2 . . . . 20 LEU CD2 . 11328 1 164 . 1 1 20 20 LEU CG C 13 25.551 0.300 . 1 . . . . 20 LEU CG . 11328 1 165 . 1 1 20 20 LEU N N 15 125.017 0.300 . 1 . . . . 20 LEU N . 11328 1 166 . 1 1 21 21 ARG H H 1 8.949 0.030 . 1 . . . . 21 ARG H . 11328 1 167 . 1 1 21 21 ARG HA H 1 4.862 0.030 . 1 . . . . 21 ARG HA . 11328 1 168 . 1 1 21 21 ARG HB2 H 1 1.363 0.030 . 2 . . . . 21 ARG HB2 . 11328 1 169 . 1 1 21 21 ARG HB3 H 1 1.644 0.030 . 2 . . . . 21 ARG HB3 . 11328 1 170 . 1 1 21 21 ARG HD2 H 1 3.008 0.030 . 2 . . . . 21 ARG HD2 . 11328 1 171 . 1 1 21 21 ARG HD3 H 1 3.189 0.030 . 2 . . . . 21 ARG HD3 . 11328 1 172 . 1 1 21 21 ARG HG2 H 1 1.116 0.030 . 2 . . . . 21 ARG HG2 . 11328 1 173 . 1 1 21 21 ARG HG3 H 1 1.441 0.030 . 2 . . . . 21 ARG HG3 . 11328 1 174 . 1 1 21 21 ARG C C 13 175.812 0.300 . 1 . . . . 21 ARG C . 11328 1 175 . 1 1 21 21 ARG CA C 13 54.643 0.300 . 1 . . . . 21 ARG CA . 11328 1 176 . 1 1 21 21 ARG CB C 13 32.985 0.300 . 1 . . . . 21 ARG CB . 11328 1 177 . 1 1 21 21 ARG CD C 13 43.698 0.300 . 1 . . . . 21 ARG CD . 11328 1 178 . 1 1 21 21 ARG CG C 13 27.356 0.300 . 1 . . . . 21 ARG CG . 11328 1 179 . 1 1 21 21 ARG N N 15 120.754 0.300 . 1 . . . . 21 ARG N . 11328 1 180 . 1 1 22 22 CYS H H 1 9.079 0.030 . 1 . . . . 22 CYS H . 11328 1 181 . 1 1 22 22 CYS HA H 1 4.800 0.030 . 1 . . . . 22 CYS HA . 11328 1 182 . 1 1 22 22 CYS HB2 H 1 2.739 0.030 . 2 . . . . 22 CYS HB2 . 11328 1 183 . 1 1 22 22 CYS HB3 H 1 3.442 0.030 . 2 . . . . 22 CYS HB3 . 11328 1 184 . 1 1 22 22 CYS C C 13 177.109 0.300 . 1 . . . . 22 CYS C . 11328 1 185 . 1 1 22 22 CYS CA C 13 58.710 0.300 . 1 . . . . 22 CYS CA . 11328 1 186 . 1 1 22 22 CYS CB C 13 30.812 0.300 . 1 . . . . 22 CYS CB . 11328 1 187 . 1 1 22 22 CYS N N 15 127.638 0.300 . 1 . . . . 22 CYS N . 11328 1 188 . 1 1 23 23 ALA H H 1 9.141 0.030 . 1 . . . . 23 ALA H . 11328 1 189 . 1 1 23 23 ALA HA H 1 4.162 0.030 . 1 . . . . 23 ALA HA . 11328 1 190 . 1 1 23 23 ALA HB1 H 1 1.511 0.030 . 1 . . . . 23 ALA HB . 11328 1 191 . 1 1 23 23 ALA HB2 H 1 1.511 0.030 . 1 . . . . 23 ALA HB . 11328 1 192 . 1 1 23 23 ALA HB3 H 1 1.511 0.030 . 1 . . . . 23 ALA HB . 11328 1 193 . 1 1 23 23 ALA C C 13 180.134 0.300 . 1 . . . . 23 ALA C . 11328 1 194 . 1 1 23 23 ALA CA C 13 54.922 0.300 . 1 . . . . 23 ALA CA . 11328 1 195 . 1 1 23 23 ALA CB C 13 18.909 0.300 . 1 . . . . 23 ALA CB . 11328 1 196 . 1 1 23 23 ALA N N 15 133.399 0.300 . 1 . . . . 23 ALA N . 11328 1 197 . 1 1 24 24 GLY H H 1 8.656 0.030 . 1 . . . . 24 GLY H . 11328 1 198 . 1 1 24 24 GLY HA2 H 1 2.517 0.030 . 2 . . . . 24 GLY HA2 . 11328 1 199 . 1 1 24 24 GLY HA3 H 1 3.910 0.030 . 2 . . . . 24 GLY HA3 . 11328 1 200 . 1 1 24 24 GLY C C 13 174.587 0.300 . 1 . . . . 24 GLY C . 11328 1 201 . 1 1 24 24 GLY CA C 13 45.585 0.300 . 1 . . . . 24 GLY CA . 11328 1 202 . 1 1 24 24 GLY N N 15 109.270 0.300 . 1 . . . . 24 GLY N . 11328 1 203 . 1 1 25 25 CYS H H 1 7.416 0.030 . 1 . . . . 25 CYS H . 11328 1 204 . 1 1 25 25 CYS HA H 1 4.727 0.030 . 1 . . . . 25 CYS HA . 11328 1 205 . 1 1 25 25 CYS HB2 H 1 2.948 0.030 . 2 . . . . 25 CYS HB2 . 11328 1 206 . 1 1 25 25 CYS HB3 H 1 3.949 0.030 . 2 . . . . 25 CYS HB3 . 11328 1 207 . 1 1 25 25 CYS C C 13 174.993 0.300 . 1 . . . . 25 CYS C . 11328 1 208 . 1 1 25 25 CYS CA C 13 59.520 0.300 . 1 . . . . 25 CYS CA . 11328 1 209 . 1 1 25 25 CYS CB C 13 29.069 0.300 . 1 . . . . 25 CYS CB . 11328 1 210 . 1 1 25 25 CYS N N 15 123.919 0.300 . 1 . . . . 25 CYS N . 11328 1 211 . 1 1 26 26 ASP H H 1 7.753 0.030 . 1 . . . . 26 ASP H . 11328 1 212 . 1 1 26 26 ASP HA H 1 4.290 0.030 . 1 . . . . 26 ASP HA . 11328 1 213 . 1 1 26 26 ASP HB2 H 1 2.554 0.030 . 2 . . . . 26 ASP HB2 . 11328 1 214 . 1 1 26 26 ASP HB3 H 1 2.983 0.030 . 2 . . . . 26 ASP HB3 . 11328 1 215 . 1 1 26 26 ASP C C 13 175.758 0.300 . 1 . . . . 26 ASP C . 11328 1 216 . 1 1 26 26 ASP CA C 13 55.544 0.300 . 1 . . . . 26 ASP CA . 11328 1 217 . 1 1 26 26 ASP CB C 13 39.770 0.300 . 1 . . . . 26 ASP CB . 11328 1 218 . 1 1 26 26 ASP N N 15 116.069 0.300 . 1 . . . . 26 ASP N . 11328 1 219 . 1 1 27 27 GLY H H 1 8.155 0.030 . 1 . . . . 27 GLY H . 11328 1 220 . 1 1 27 27 GLY HA2 H 1 3.215 0.030 . 2 . . . . 27 GLY HA2 . 11328 1 221 . 1 1 27 27 GLY HA3 H 1 4.115 0.030 . 2 . . . . 27 GLY HA3 . 11328 1 222 . 1 1 27 27 GLY C C 13 173.982 0.300 . 1 . . . . 27 GLY C . 11328 1 223 . 1 1 27 27 GLY CA C 13 45.531 0.300 . 1 . . . . 27 GLY CA . 11328 1 224 . 1 1 27 27 GLY N N 15 103.806 0.300 . 1 . . . . 27 GLY N . 11328 1 225 . 1 1 28 28 ASP H H 1 7.298 0.030 . 1 . . . . 28 ASP H . 11328 1 226 . 1 1 28 28 ASP HA H 1 4.420 0.030 . 1 . . . . 28 ASP HA . 11328 1 227 . 1 1 28 28 ASP HB2 H 1 2.711 0.030 . 1 . . . . 28 ASP HB2 . 11328 1 228 . 1 1 28 28 ASP HB3 H 1 2.711 0.030 . 1 . . . . 28 ASP HB3 . 11328 1 229 . 1 1 28 28 ASP C C 13 174.447 0.300 . 1 . . . . 28 ASP C . 11328 1 230 . 1 1 28 28 ASP CA C 13 55.534 0.300 . 1 . . . . 28 ASP CA . 11328 1 231 . 1 1 28 28 ASP CB C 13 41.553 0.300 . 1 . . . . 28 ASP CB . 11328 1 232 . 1 1 28 28 ASP N N 15 121.343 0.300 . 1 . . . . 28 ASP N . 11328 1 233 . 1 1 29 29 LEU H H 1 8.091 0.030 . 1 . . . . 29 LEU H . 11328 1 234 . 1 1 29 29 LEU HA H 1 5.047 0.030 . 1 . . . . 29 LEU HA . 11328 1 235 . 1 1 29 29 LEU HB2 H 1 0.700 0.030 . 2 . . . . 29 LEU HB2 . 11328 1 236 . 1 1 29 29 LEU HB3 H 1 1.610 0.030 . 2 . . . . 29 LEU HB3 . 11328 1 237 . 1 1 29 29 LEU HD11 H 1 0.234 0.030 . 1 . . . . 29 LEU HD1 . 11328 1 238 . 1 1 29 29 LEU HD12 H 1 0.234 0.030 . 1 . . . . 29 LEU HD1 . 11328 1 239 . 1 1 29 29 LEU HD13 H 1 0.234 0.030 . 1 . . . . 29 LEU HD1 . 11328 1 240 . 1 1 29 29 LEU HD21 H 1 0.182 0.030 . 1 . . . . 29 LEU HD2 . 11328 1 241 . 1 1 29 29 LEU HD22 H 1 0.182 0.030 . 1 . . . . 29 LEU HD2 . 11328 1 242 . 1 1 29 29 LEU HD23 H 1 0.182 0.030 . 1 . . . . 29 LEU HD2 . 11328 1 243 . 1 1 29 29 LEU HG H 1 1.491 0.030 . 1 . . . . 29 LEU HG . 11328 1 244 . 1 1 29 29 LEU C C 13 176.801 0.300 . 1 . . . . 29 LEU C . 11328 1 245 . 1 1 29 29 LEU CA C 13 52.925 0.300 . 1 . . . . 29 LEU CA . 11328 1 246 . 1 1 29 29 LEU CB C 13 43.110 0.300 . 1 . . . . 29 LEU CB . 11328 1 247 . 1 1 29 29 LEU CD1 C 13 25.304 0.300 . 2 . . . . 29 LEU CD1 . 11328 1 248 . 1 1 29 29 LEU CD2 C 13 22.845 0.300 . 2 . . . . 29 LEU CD2 . 11328 1 249 . 1 1 29 29 LEU CG C 13 26.417 0.300 . 1 . . . . 29 LEU CG . 11328 1 250 . 1 1 29 29 LEU N N 15 118.520 0.300 . 1 . . . . 29 LEU N . 11328 1 251 . 1 1 30 30 TYR H H 1 9.101 0.030 . 1 . . . . 30 TYR H . 11328 1 252 . 1 1 30 30 TYR HA H 1 6.195 0.030 . 1 . . . . 30 TYR HA . 11328 1 253 . 1 1 30 30 TYR HB2 H 1 2.487 0.030 . 2 . . . . 30 TYR HB2 . 11328 1 254 . 1 1 30 30 TYR HB3 H 1 3.926 0.030 . 2 . . . . 30 TYR HB3 . 11328 1 255 . 1 1 30 30 TYR HD1 H 1 7.074 0.030 . 1 . . . . 30 TYR HD1 . 11328 1 256 . 1 1 30 30 TYR HD2 H 1 7.074 0.030 . 1 . . . . 30 TYR HD2 . 11328 1 257 . 1 1 30 30 TYR HE1 H 1 6.812 0.030 . 1 . . . . 30 TYR HE1 . 11328 1 258 . 1 1 30 30 TYR HE2 H 1 6.812 0.030 . 1 . . . . 30 TYR HE2 . 11328 1 259 . 1 1 30 30 TYR C C 13 177.381 0.300 . 1 . . . . 30 TYR C . 11328 1 260 . 1 1 30 30 TYR CA C 13 57.293 0.300 . 1 . . . . 30 TYR CA . 11328 1 261 . 1 1 30 30 TYR CB C 13 45.963 0.300 . 1 . . . . 30 TYR CB . 11328 1 262 . 1 1 30 30 TYR CD1 C 13 133.372 0.300 . 1 . . . . 30 TYR CD1 . 11328 1 263 . 1 1 30 30 TYR CD2 C 13 133.372 0.300 . 1 . . . . 30 TYR CD2 . 11328 1 264 . 1 1 30 30 TYR CE1 C 13 119.216 0.300 . 1 . . . . 30 TYR CE1 . 11328 1 265 . 1 1 30 30 TYR CE2 C 13 119.216 0.300 . 1 . . . . 30 TYR CE2 . 11328 1 266 . 1 1 30 30 TYR N N 15 117.442 0.300 . 1 . . . . 30 TYR N . 11328 1 267 . 1 1 31 31 CYS H H 1 9.496 0.030 . 1 . . . . 31 CYS H . 11328 1 268 . 1 1 31 31 CYS HA H 1 5.253 0.030 . 1 . . . . 31 CYS HA . 11328 1 269 . 1 1 31 31 CYS HB2 H 1 3.167 0.030 . 2 . . . . 31 CYS HB2 . 11328 1 270 . 1 1 31 31 CYS HB3 H 1 3.539 0.030 . 2 . . . . 31 CYS HB3 . 11328 1 271 . 1 1 31 31 CYS C C 13 175.562 0.300 . 1 . . . . 31 CYS C . 11328 1 272 . 1 1 31 31 CYS CA C 13 57.967 0.300 . 1 . . . . 31 CYS CA . 11328 1 273 . 1 1 31 31 CYS CB C 13 31.276 0.300 . 1 . . . . 31 CYS CB . 11328 1 274 . 1 1 31 31 CYS N N 15 118.998 0.300 . 1 . . . . 31 CYS N . 11328 1 275 . 1 1 32 32 ALA H H 1 8.743 0.030 . 1 . . . . 32 ALA H . 11328 1 276 . 1 1 32 32 ALA HA H 1 3.939 0.030 . 1 . . . . 32 ALA HA . 11328 1 277 . 1 1 32 32 ALA HB1 H 1 1.455 0.030 . 1 . . . . 32 ALA HB . 11328 1 278 . 1 1 32 32 ALA HB2 H 1 1.455 0.030 . 1 . . . . 32 ALA HB . 11328 1 279 . 1 1 32 32 ALA HB3 H 1 1.455 0.030 . 1 . . . . 32 ALA HB . 11328 1 280 . 1 1 32 32 ALA C C 13 180.204 0.300 . 1 . . . . 32 ALA C . 11328 1 281 . 1 1 32 32 ALA CA C 13 56.062 0.300 . 1 . . . . 32 ALA CA . 11328 1 282 . 1 1 32 32 ALA CB C 13 18.297 0.300 . 1 . . . . 32 ALA CB . 11328 1 283 . 1 1 32 32 ALA N N 15 122.627 0.300 . 1 . . . . 32 ALA N . 11328 1 284 . 1 1 33 33 ARG H H 1 8.347 0.030 . 1 . . . . 33 ARG H . 11328 1 285 . 1 1 33 33 ARG HA H 1 4.052 0.030 . 1 . . . . 33 ARG HA . 11328 1 286 . 1 1 33 33 ARG HB2 H 1 1.972 0.030 . 2 . . . . 33 ARG HB2 . 11328 1 287 . 1 1 33 33 ARG HB3 H 1 2.178 0.030 . 2 . . . . 33 ARG HB3 . 11328 1 288 . 1 1 33 33 ARG HD2 H 1 3.217 0.030 . 2 . . . . 33 ARG HD2 . 11328 1 289 . 1 1 33 33 ARG HD3 H 1 3.070 0.030 . 2 . . . . 33 ARG HD3 . 11328 1 290 . 1 1 33 33 ARG HE H 1 7.440 0.030 . 1 . . . . 33 ARG HE . 11328 1 291 . 1 1 33 33 ARG HG2 H 1 1.810 0.030 . 2 . . . . 33 ARG HG2 . 11328 1 292 . 1 1 33 33 ARG HG3 H 1 1.491 0.030 . 2 . . . . 33 ARG HG3 . 11328 1 293 . 1 1 33 33 ARG C C 13 178.848 0.300 . 1 . . . . 33 ARG C . 11328 1 294 . 1 1 33 33 ARG CA C 13 59.800 0.300 . 1 . . . . 33 ARG CA . 11328 1 295 . 1 1 33 33 ARG CB C 13 29.315 0.300 . 1 . . . . 33 ARG CB . 11328 1 296 . 1 1 33 33 ARG CD C 13 42.583 0.300 . 1 . . . . 33 ARG CD . 11328 1 297 . 1 1 33 33 ARG CG C 13 26.383 0.300 . 1 . . . . 33 ARG CG . 11328 1 298 . 1 1 33 33 ARG N N 15 120.352 0.300 . 1 . . . . 33 ARG N . 11328 1 299 . 1 1 33 33 ARG NE N 15 84.903 0.300 . 1 . . . . 33 ARG NE . 11328 1 300 . 1 1 34 34 CYS H H 1 9.232 0.030 . 1 . . . . 34 CYS H . 11328 1 301 . 1 1 34 34 CYS HA H 1 3.968 0.030 . 1 . . . . 34 CYS HA . 11328 1 302 . 1 1 34 34 CYS HB2 H 1 3.236 0.030 . 2 . . . . 34 CYS HB2 . 11328 1 303 . 1 1 34 34 CYS HB3 H 1 3.175 0.030 . 2 . . . . 34 CYS HB3 . 11328 1 304 . 1 1 34 34 CYS C C 13 179.893 0.300 . 1 . . . . 34 CYS C . 11328 1 305 . 1 1 34 34 CYS CA C 13 64.304 0.300 . 1 . . . . 34 CYS CA . 11328 1 306 . 1 1 34 34 CYS CB C 13 30.642 0.300 . 1 . . . . 34 CYS CB . 11328 1 307 . 1 1 34 34 CYS N N 15 123.391 0.300 . 1 . . . . 34 CYS N . 11328 1 308 . 1 1 35 35 PHE H H 1 8.746 0.030 . 1 . . . . 35 PHE H . 11328 1 309 . 1 1 35 35 PHE HA H 1 3.256 0.030 . 1 . . . . 35 PHE HA . 11328 1 310 . 1 1 35 35 PHE HB2 H 1 2.794 0.030 . 2 . . . . 35 PHE HB2 . 11328 1 311 . 1 1 35 35 PHE HB3 H 1 2.918 0.030 . 2 . . . . 35 PHE HB3 . 11328 1 312 . 1 1 35 35 PHE HD1 H 1 6.361 0.030 . 1 . . . . 35 PHE HD1 . 11328 1 313 . 1 1 35 35 PHE HD2 H 1 6.361 0.030 . 1 . . . . 35 PHE HD2 . 11328 1 314 . 1 1 35 35 PHE HE1 H 1 6.912 0.030 . 1 . . . . 35 PHE HE1 . 11328 1 315 . 1 1 35 35 PHE HE2 H 1 6.912 0.030 . 1 . . . . 35 PHE HE2 . 11328 1 316 . 1 1 35 35 PHE HZ H 1 6.834 0.030 . 1 . . . . 35 PHE HZ . 11328 1 317 . 1 1 35 35 PHE C C 13 177.728 0.300 . 1 . . . . 35 PHE C . 11328 1 318 . 1 1 35 35 PHE CA C 13 63.162 0.300 . 1 . . . . 35 PHE CA . 11328 1 319 . 1 1 35 35 PHE CB C 13 39.339 0.300 . 1 . . . . 35 PHE CB . 11328 1 320 . 1 1 35 35 PHE CD1 C 13 130.218 0.300 . 1 . . . . 35 PHE CD1 . 11328 1 321 . 1 1 35 35 PHE CD2 C 13 130.218 0.300 . 1 . . . . 35 PHE CD2 . 11328 1 322 . 1 1 35 35 PHE CE1 C 13 131.517 0.300 . 1 . . . . 35 PHE CE1 . 11328 1 323 . 1 1 35 35 PHE CE2 C 13 131.517 0.300 . 1 . . . . 35 PHE CE2 . 11328 1 324 . 1 1 35 35 PHE CZ C 13 130.310 0.300 . 1 . . . . 35 PHE CZ . 11328 1 325 . 1 1 35 35 PHE N N 15 119.737 0.300 . 1 . . . . 35 PHE N . 11328 1 326 . 1 1 36 36 ARG H H 1 7.812 0.030 . 1 . . . . 36 ARG H . 11328 1 327 . 1 1 36 36 ARG HA H 1 3.822 0.030 . 1 . . . . 36 ARG HA . 11328 1 328 . 1 1 36 36 ARG HB2 H 1 2.015 0.030 . 1 . . . . 36 ARG HB2 . 11328 1 329 . 1 1 36 36 ARG HB3 H 1 2.015 0.030 . 1 . . . . 36 ARG HB3 . 11328 1 330 . 1 1 36 36 ARG HD2 H 1 3.257 0.030 . 1 . . . . 36 ARG HD2 . 11328 1 331 . 1 1 36 36 ARG HD3 H 1 3.257 0.030 . 1 . . . . 36 ARG HD3 . 11328 1 332 . 1 1 36 36 ARG HG2 H 1 1.688 0.030 . 2 . . . . 36 ARG HG2 . 11328 1 333 . 1 1 36 36 ARG HG3 H 1 1.784 0.030 . 2 . . . . 36 ARG HG3 . 11328 1 334 . 1 1 36 36 ARG C C 13 178.895 0.300 . 1 . . . . 36 ARG C . 11328 1 335 . 1 1 36 36 ARG CA C 13 59.239 0.300 . 1 . . . . 36 ARG CA . 11328 1 336 . 1 1 36 36 ARG CB C 13 29.857 0.300 . 1 . . . . 36 ARG CB . 11328 1 337 . 1 1 36 36 ARG CD C 13 43.355 0.300 . 1 . . . . 36 ARG CD . 11328 1 338 . 1 1 36 36 ARG CG C 13 27.195 0.300 . 1 . . . . 36 ARG CG . 11328 1 339 . 1 1 36 36 ARG N N 15 119.301 0.300 . 1 . . . . 36 ARG N . 11328 1 340 . 1 1 37 37 GLU H H 1 8.110 0.030 . 1 . . . . 37 GLU H . 11328 1 341 . 1 1 37 37 GLU HA H 1 3.981 0.030 . 1 . . . . 37 GLU HA . 11328 1 342 . 1 1 37 37 GLU HB2 H 1 1.928 0.030 . 2 . . . . 37 GLU HB2 . 11328 1 343 . 1 1 37 37 GLU HB3 H 1 2.006 0.030 . 2 . . . . 37 GLU HB3 . 11328 1 344 . 1 1 37 37 GLU HG2 H 1 2.469 0.030 . 2 . . . . 37 GLU HG2 . 11328 1 345 . 1 1 37 37 GLU HG3 H 1 2.240 0.030 . 2 . . . . 37 GLU HG3 . 11328 1 346 . 1 1 37 37 GLU C C 13 178.678 0.300 . 1 . . . . 37 GLU C . 11328 1 347 . 1 1 37 37 GLU CA C 13 58.781 0.300 . 1 . . . . 37 GLU CA . 11328 1 348 . 1 1 37 37 GLU CB C 13 29.763 0.300 . 1 . . . . 37 GLU CB . 11328 1 349 . 1 1 37 37 GLU CG C 13 36.645 0.300 . 1 . . . . 37 GLU CG . 11328 1 350 . 1 1 37 37 GLU N N 15 116.713 0.300 . 1 . . . . 37 GLU N . 11328 1 351 . 1 1 38 38 GLY H H 1 7.754 0.030 . 1 . . . . 38 GLY H . 11328 1 352 . 1 1 38 38 GLY HA2 H 1 3.474 0.030 . 2 . . . . 38 GLY HA2 . 11328 1 353 . 1 1 38 38 GLY HA3 H 1 4.051 0.030 . 2 . . . . 38 GLY HA3 . 11328 1 354 . 1 1 38 38 GLY C C 13 174.005 0.300 . 1 . . . . 38 GLY C . 11328 1 355 . 1 1 38 38 GLY CA C 13 45.300 0.300 . 1 . . . . 38 GLY CA . 11328 1 356 . 1 1 38 38 GLY N N 15 103.860 0.300 . 1 . . . . 38 GLY N . 11328 1 357 . 1 1 39 39 HIS H H 1 7.089 0.030 . 1 . . . . 39 HIS H . 11328 1 358 . 1 1 39 39 HIS HA H 1 4.009 0.030 . 1 . . . . 39 HIS HA . 11328 1 359 . 1 1 39 39 HIS HB2 H 1 1.881 0.030 . 2 . . . . 39 HIS HB2 . 11328 1 360 . 1 1 39 39 HIS HB3 H 1 2.770 0.030 . 2 . . . . 39 HIS HB3 . 11328 1 361 . 1 1 39 39 HIS HD2 H 1 5.988 0.030 . 1 . . . . 39 HIS HD2 . 11328 1 362 . 1 1 39 39 HIS HE1 H 1 6.578 0.030 . 1 . . . . 39 HIS HE1 . 11328 1 363 . 1 1 39 39 HIS C C 13 174.149 0.300 . 1 . . . . 39 HIS C . 11328 1 364 . 1 1 39 39 HIS CA C 13 56.010 0.300 . 1 . . . . 39 HIS CA . 11328 1 365 . 1 1 39 39 HIS CB C 13 27.315 0.300 . 1 . . . . 39 HIS CB . 11328 1 366 . 1 1 39 39 HIS CD2 C 13 125.449 0.300 . 1 . . . . 39 HIS CD2 . 11328 1 367 . 1 1 39 39 HIS CE1 C 13 137.734 0.300 . 1 . . . . 39 HIS CE1 . 11328 1 368 . 1 1 39 39 HIS N N 15 116.223 0.300 . 1 . . . . 39 HIS N . 11328 1 369 . 1 1 40 40 ASP H H 1 7.532 0.030 . 1 . . . . 40 ASP H . 11328 1 370 . 1 1 40 40 ASP HA H 1 4.460 0.030 . 1 . . . . 40 ASP HA . 11328 1 371 . 1 1 40 40 ASP HB2 H 1 2.607 0.030 . 2 . . . . 40 ASP HB2 . 11328 1 372 . 1 1 40 40 ASP HB3 H 1 2.532 0.030 . 2 . . . . 40 ASP HB3 . 11328 1 373 . 1 1 40 40 ASP C C 13 176.193 0.300 . 1 . . . . 40 ASP C . 11328 1 374 . 1 1 40 40 ASP CA C 13 55.321 0.300 . 1 . . . . 40 ASP CA . 11328 1 375 . 1 1 40 40 ASP CB C 13 40.828 0.300 . 1 . . . . 40 ASP CB . 11328 1 376 . 1 1 40 40 ASP N N 15 120.750 0.300 . 1 . . . . 40 ASP N . 11328 1 377 . 1 1 41 41 ASN H H 1 8.015 0.030 . 1 . . . . 41 ASN H . 11328 1 378 . 1 1 41 41 ASN HA H 1 4.588 0.030 . 1 . . . . 41 ASN HA . 11328 1 379 . 1 1 41 41 ASN HB2 H 1 2.671 0.030 . 2 . . . . 41 ASN HB2 . 11328 1 380 . 1 1 41 41 ASN HB3 H 1 2.548 0.030 . 2 . . . . 41 ASN HB3 . 11328 1 381 . 1 1 41 41 ASN HD21 H 1 6.708 0.030 . 2 . . . . 41 ASN HD21 . 11328 1 382 . 1 1 41 41 ASN HD22 H 1 7.403 0.030 . 2 . . . . 41 ASN HD22 . 11328 1 383 . 1 1 41 41 ASN C C 13 175.139 0.300 . 1 . . . . 41 ASN C . 11328 1 384 . 1 1 41 41 ASN CA C 13 53.341 0.300 . 1 . . . . 41 ASN CA . 11328 1 385 . 1 1 41 41 ASN CB C 13 39.070 0.300 . 1 . . . . 41 ASN CB . 11328 1 386 . 1 1 41 41 ASN N N 15 116.123 0.300 . 1 . . . . 41 ASN N . 11328 1 387 . 1 1 41 41 ASN ND2 N 15 113.316 0.300 . 1 . . . . 41 ASN ND2 . 11328 1 388 . 1 1 42 42 PHE H H 1 7.896 0.030 . 1 . . . . 42 PHE H . 11328 1 389 . 1 1 42 42 PHE HA H 1 4.563 0.030 . 1 . . . . 42 PHE HA . 11328 1 390 . 1 1 42 42 PHE HB2 H 1 2.808 0.030 . 2 . . . . 42 PHE HB2 . 11328 1 391 . 1 1 42 42 PHE HB3 H 1 2.964 0.030 . 2 . . . . 42 PHE HB3 . 11328 1 392 . 1 1 42 42 PHE HD1 H 1 6.896 0.030 . 1 . . . . 42 PHE HD1 . 11328 1 393 . 1 1 42 42 PHE HD2 H 1 6.896 0.030 . 1 . . . . 42 PHE HD2 . 11328 1 394 . 1 1 42 42 PHE HE1 H 1 7.156 0.030 . 1 . . . . 42 PHE HE1 . 11328 1 395 . 1 1 42 42 PHE HE2 H 1 7.156 0.030 . 1 . . . . 42 PHE HE2 . 11328 1 396 . 1 1 42 42 PHE HZ H 1 7.209 0.030 . 1 . . . . 42 PHE HZ . 11328 1 397 . 1 1 42 42 PHE C C 13 175.557 0.300 . 1 . . . . 42 PHE C . 11328 1 398 . 1 1 42 42 PHE CA C 13 57.533 0.300 . 1 . . . . 42 PHE CA . 11328 1 399 . 1 1 42 42 PHE CB C 13 39.785 0.300 . 1 . . . . 42 PHE CB . 11328 1 400 . 1 1 42 42 PHE CD1 C 13 131.041 0.300 . 1 . . . . 42 PHE CD1 . 11328 1 401 . 1 1 42 42 PHE CD2 C 13 131.041 0.300 . 1 . . . . 42 PHE CD2 . 11328 1 402 . 1 1 42 42 PHE CE1 C 13 131.260 0.300 . 1 . . . . 42 PHE CE1 . 11328 1 403 . 1 1 42 42 PHE CE2 C 13 131.260 0.300 . 1 . . . . 42 PHE CE2 . 11328 1 404 . 1 1 42 42 PHE CZ C 13 129.836 0.300 . 1 . . . . 42 PHE CZ . 11328 1 405 . 1 1 42 42 PHE N N 15 118.763 0.300 . 1 . . . . 42 PHE N . 11328 1 406 . 1 1 43 43 ASP H H 1 8.429 0.030 . 1 . . . . 43 ASP H . 11328 1 407 . 1 1 43 43 ASP HA H 1 4.595 0.030 . 1 . . . . 43 ASP HA . 11328 1 408 . 1 1 43 43 ASP HB2 H 1 2.604 0.030 . 2 . . . . 43 ASP HB2 . 11328 1 409 . 1 1 43 43 ASP HB3 H 1 2.791 0.030 . 2 . . . . 43 ASP HB3 . 11328 1 410 . 1 1 43 43 ASP C C 13 177.739 0.300 . 1 . . . . 43 ASP C . 11328 1 411 . 1 1 43 43 ASP CA C 13 54.719 0.300 . 1 . . . . 43 ASP CA . 11328 1 412 . 1 1 43 43 ASP CB C 13 40.851 0.300 . 1 . . . . 43 ASP CB . 11328 1 413 . 1 1 43 43 ASP N N 15 119.003 0.300 . 1 . . . . 43 ASP N . 11328 1 414 . 1 1 44 44 LEU H H 1 8.418 0.030 . 1 . . . . 44 LEU H . 11328 1 415 . 1 1 44 44 LEU HA H 1 4.017 0.030 . 1 . . . . 44 LEU HA . 11328 1 416 . 1 1 44 44 LEU HB2 H 1 1.592 0.030 . 2 . . . . 44 LEU HB2 . 11328 1 417 . 1 1 44 44 LEU HB3 H 1 1.453 0.030 . 2 . . . . 44 LEU HB3 . 11328 1 418 . 1 1 44 44 LEU HD11 H 1 0.741 0.030 . 1 . . . . 44 LEU HD1 . 11328 1 419 . 1 1 44 44 LEU HD12 H 1 0.741 0.030 . 1 . . . . 44 LEU HD1 . 11328 1 420 . 1 1 44 44 LEU HD13 H 1 0.741 0.030 . 1 . . . . 44 LEU HD1 . 11328 1 421 . 1 1 44 44 LEU HD21 H 1 0.867 0.030 . 1 . . . . 44 LEU HD2 . 11328 1 422 . 1 1 44 44 LEU HD22 H 1 0.867 0.030 . 1 . . . . 44 LEU HD2 . 11328 1 423 . 1 1 44 44 LEU HD23 H 1 0.867 0.030 . 1 . . . . 44 LEU HD2 . 11328 1 424 . 1 1 44 44 LEU HG H 1 1.704 0.030 . 1 . . . . 44 LEU HG . 11328 1 425 . 1 1 44 44 LEU C C 13 178.611 0.300 . 1 . . . . 44 LEU C . 11328 1 426 . 1 1 44 44 LEU CA C 13 56.726 0.300 . 1 . . . . 44 LEU CA . 11328 1 427 . 1 1 44 44 LEU CB C 13 41.297 0.300 . 1 . . . . 44 LEU CB . 11328 1 428 . 1 1 44 44 LEU CD1 C 13 22.845 0.300 . 2 . . . . 44 LEU CD1 . 11328 1 429 . 1 1 44 44 LEU CD2 C 13 25.302 0.300 . 2 . . . . 44 LEU CD2 . 11328 1 430 . 1 1 44 44 LEU CG C 13 27.137 0.300 . 1 . . . . 44 LEU CG . 11328 1 431 . 1 1 44 44 LEU N N 15 123.907 0.300 . 1 . . . . 44 LEU N . 11328 1 432 . 1 1 45 45 LYS H H 1 8.162 0.030 . 1 . . . . 45 LYS H . 11328 1 433 . 1 1 45 45 LYS HA H 1 4.110 0.030 . 1 . . . . 45 LYS HA . 11328 1 434 . 1 1 45 45 LYS HB2 H 1 1.940 0.030 . 2 . . . . 45 LYS HB2 . 11328 1 435 . 1 1 45 45 LYS HB3 H 1 1.857 0.030 . 2 . . . . 45 LYS HB3 . 11328 1 436 . 1 1 45 45 LYS HD2 H 1 1.684 0.030 . 1 . . . . 45 LYS HD2 . 11328 1 437 . 1 1 45 45 LYS HD3 H 1 1.684 0.030 . 1 . . . . 45 LYS HD3 . 11328 1 438 . 1 1 45 45 LYS HE2 H 1 2.980 0.030 . 1 . . . . 45 LYS HE2 . 11328 1 439 . 1 1 45 45 LYS HE3 H 1 2.980 0.030 . 1 . . . . 45 LYS HE3 . 11328 1 440 . 1 1 45 45 LYS HG2 H 1 1.450 0.030 . 1 . . . . 45 LYS HG2 . 11328 1 441 . 1 1 45 45 LYS HG3 H 1 1.450 0.030 . 1 . . . . 45 LYS HG3 . 11328 1 442 . 1 1 45 45 LYS C C 13 177.921 0.300 . 1 . . . . 45 LYS C . 11328 1 443 . 1 1 45 45 LYS CA C 13 58.857 0.300 . 1 . . . . 45 LYS CA . 11328 1 444 . 1 1 45 45 LYS CB C 13 31.952 0.300 . 1 . . . . 45 LYS CB . 11328 1 445 . 1 1 45 45 LYS CD C 13 29.128 0.300 . 1 . . . . 45 LYS CD . 11328 1 446 . 1 1 45 45 LYS CE C 13 41.956 0.300 . 1 . . . . 45 LYS CE . 11328 1 447 . 1 1 45 45 LYS CG C 13 24.924 0.300 . 1 . . . . 45 LYS CG . 11328 1 448 . 1 1 45 45 LYS N N 15 118.892 0.300 . 1 . . . . 45 LYS N . 11328 1 449 . 1 1 46 46 GLU H H 1 7.894 0.030 . 1 . . . . 46 GLU H . 11328 1 450 . 1 1 46 46 GLU HA H 1 4.362 0.030 . 1 . . . . 46 GLU HA . 11328 1 451 . 1 1 46 46 GLU HB2 H 1 2.029 0.030 . 2 . . . . 46 GLU HB2 . 11328 1 452 . 1 1 46 46 GLU HB3 H 1 2.235 0.030 . 2 . . . . 46 GLU HB3 . 11328 1 453 . 1 1 46 46 GLU HG2 H 1 2.148 0.030 . 2 . . . . 46 GLU HG2 . 11328 1 454 . 1 1 46 46 GLU HG3 H 1 2.304 0.030 . 2 . . . . 46 GLU HG3 . 11328 1 455 . 1 1 46 46 GLU C C 13 177.262 0.300 . 1 . . . . 46 GLU C . 11328 1 456 . 1 1 46 46 GLU CA C 13 56.344 0.300 . 1 . . . . 46 GLU CA . 11328 1 457 . 1 1 46 46 GLU CB C 13 29.957 0.300 . 1 . . . . 46 GLU CB . 11328 1 458 . 1 1 46 46 GLU CG C 13 36.317 0.300 . 1 . . . . 46 GLU CG . 11328 1 459 . 1 1 46 46 GLU N N 15 116.576 0.300 . 1 . . . . 46 GLU N . 11328 1 460 . 1 1 47 47 HIS H H 1 8.154 0.030 . 1 . . . . 47 HIS H . 11328 1 461 . 1 1 47 47 HIS HA H 1 4.265 0.030 . 1 . . . . 47 HIS HA . 11328 1 462 . 1 1 47 47 HIS HB2 H 1 3.058 0.030 . 2 . . . . 47 HIS HB2 . 11328 1 463 . 1 1 47 47 HIS HB3 H 1 3.541 0.030 . 2 . . . . 47 HIS HB3 . 11328 1 464 . 1 1 47 47 HIS HD2 H 1 7.368 0.030 . 1 . . . . 47 HIS HD2 . 11328 1 465 . 1 1 47 47 HIS HE1 H 1 7.758 0.030 . 1 . . . . 47 HIS HE1 . 11328 1 466 . 1 1 47 47 HIS C C 13 173.541 0.300 . 1 . . . . 47 HIS C . 11328 1 467 . 1 1 47 47 HIS CA C 13 56.175 0.300 . 1 . . . . 47 HIS CA . 11328 1 468 . 1 1 47 47 HIS CB C 13 31.117 0.300 . 1 . . . . 47 HIS CB . 11328 1 469 . 1 1 47 47 HIS CD2 C 13 119.058 0.300 . 1 . . . . 47 HIS CD2 . 11328 1 470 . 1 1 47 47 HIS CE1 C 13 140.759 0.300 . 1 . . . . 47 HIS CE1 . 11328 1 471 . 1 1 47 47 HIS N N 15 121.973 0.300 . 1 . . . . 47 HIS N . 11328 1 472 . 1 1 48 48 GLN H H 1 8.025 0.030 . 1 . . . . 48 GLN H . 11328 1 473 . 1 1 48 48 GLN HA H 1 4.422 0.030 . 1 . . . . 48 GLN HA . 11328 1 474 . 1 1 48 48 GLN HB2 H 1 2.099 0.030 . 2 . . . . 48 GLN HB2 . 11328 1 475 . 1 1 48 48 GLN HB3 H 1 1.951 0.030 . 2 . . . . 48 GLN HB3 . 11328 1 476 . 1 1 48 48 GLN HE21 H 1 7.624 0.030 . 2 . . . . 48 GLN HE21 . 11328 1 477 . 1 1 48 48 GLN HE22 H 1 6.906 0.030 . 2 . . . . 48 GLN HE22 . 11328 1 478 . 1 1 48 48 GLN HG2 H 1 2.406 0.030 . 1 . . . . 48 GLN HG2 . 11328 1 479 . 1 1 48 48 GLN HG3 H 1 2.406 0.030 . 1 . . . . 48 GLN HG3 . 11328 1 480 . 1 1 48 48 GLN C C 13 175.916 0.300 . 1 . . . . 48 GLN C . 11328 1 481 . 1 1 48 48 GLN CA C 13 55.592 0.300 . 1 . . . . 48 GLN CA . 11328 1 482 . 1 1 48 48 GLN CB C 13 29.889 0.300 . 1 . . . . 48 GLN CB . 11328 1 483 . 1 1 48 48 GLN CG C 13 34.063 0.300 . 1 . . . . 48 GLN CG . 11328 1 484 . 1 1 48 48 GLN N N 15 120.436 0.300 . 1 . . . . 48 GLN N . 11328 1 485 . 1 1 48 48 GLN NE2 N 15 113.752 0.300 . 1 . . . . 48 GLN NE2 . 11328 1 486 . 1 1 49 49 THR H H 1 8.296 0.030 . 1 . . . . 49 THR H . 11328 1 487 . 1 1 49 49 THR HA H 1 5.462 0.030 . 1 . . . . 49 THR HA . 11328 1 488 . 1 1 49 49 THR HB H 1 3.814 0.030 . 1 . . . . 49 THR HB . 11328 1 489 . 1 1 49 49 THR HG21 H 1 0.458 0.030 . 1 . . . . 49 THR HG2 . 11328 1 490 . 1 1 49 49 THR HG22 H 1 0.458 0.030 . 1 . . . . 49 THR HG2 . 11328 1 491 . 1 1 49 49 THR HG23 H 1 0.458 0.030 . 1 . . . . 49 THR HG2 . 11328 1 492 . 1 1 49 49 THR C C 13 174.613 0.300 . 1 . . . . 49 THR C . 11328 1 493 . 1 1 49 49 THR CA C 13 59.305 0.300 . 1 . . . . 49 THR CA . 11328 1 494 . 1 1 49 49 THR CB C 13 72.049 0.300 . 1 . . . . 49 THR CB . 11328 1 495 . 1 1 49 49 THR CG2 C 13 23.317 0.300 . 1 . . . . 49 THR CG2 . 11328 1 496 . 1 1 49 49 THR N N 15 113.240 0.300 . 1 . . . . 49 THR N . 11328 1 497 . 1 1 50 50 SER H H 1 8.500 0.030 . 1 . . . . 50 SER H . 11328 1 498 . 1 1 50 50 SER HA H 1 4.958 0.030 . 1 . . . . 50 SER HA . 11328 1 499 . 1 1 50 50 SER HB2 H 1 3.872 0.030 . 2 . . . . 50 SER HB2 . 11328 1 500 . 1 1 50 50 SER HB3 H 1 3.785 0.030 . 2 . . . . 50 SER HB3 . 11328 1 501 . 1 1 50 50 SER C C 13 171.269 0.300 . 1 . . . . 50 SER C . 11328 1 502 . 1 1 50 50 SER CA C 13 55.659 0.300 . 1 . . . . 50 SER CA . 11328 1 503 . 1 1 50 50 SER CB C 13 64.731 0.300 . 1 . . . . 50 SER CB . 11328 1 504 . 1 1 50 50 SER N N 15 113.893 0.300 . 1 . . . . 50 SER N . 11328 1 505 . 1 1 51 51 PRO HA H 1 4.526 0.030 . 1 . . . . 51 PRO HA . 11328 1 506 . 1 1 51 51 PRO HB2 H 1 1.672 0.030 . 2 . . . . 51 PRO HB2 . 11328 1 507 . 1 1 51 51 PRO HB3 H 1 2.294 0.030 . 2 . . . . 51 PRO HB3 . 11328 1 508 . 1 1 51 51 PRO HD2 H 1 3.653 0.030 . 2 . . . . 51 PRO HD2 . 11328 1 509 . 1 1 51 51 PRO HD3 H 1 3.816 0.030 . 2 . . . . 51 PRO HD3 . 11328 1 510 . 1 1 51 51 PRO HG2 H 1 2.083 0.030 . 2 . . . . 51 PRO HG2 . 11328 1 511 . 1 1 51 51 PRO HG3 H 1 1.978 0.030 . 2 . . . . 51 PRO HG3 . 11328 1 512 . 1 1 51 51 PRO C C 13 176.041 0.300 . 1 . . . . 51 PRO C . 11328 1 513 . 1 1 51 51 PRO CA C 13 62.961 0.300 . 1 . . . . 51 PRO CA . 11328 1 514 . 1 1 51 51 PRO CB C 13 32.279 0.300 . 1 . . . . 51 PRO CB . 11328 1 515 . 1 1 51 51 PRO CD C 13 50.670 0.300 . 1 . . . . 51 PRO CD . 11328 1 516 . 1 1 51 51 PRO CG C 13 27.634 0.300 . 1 . . . . 51 PRO CG . 11328 1 517 . 1 1 52 52 TYR H H 1 7.820 0.030 . 1 . . . . 52 TYR H . 11328 1 518 . 1 1 52 52 TYR HA H 1 4.421 0.030 . 1 . . . . 52 TYR HA . 11328 1 519 . 1 1 52 52 TYR HB2 H 1 2.188 0.030 . 2 . . . . 52 TYR HB2 . 11328 1 520 . 1 1 52 52 TYR HB3 H 1 2.398 0.030 . 2 . . . . 52 TYR HB3 . 11328 1 521 . 1 1 52 52 TYR HD1 H 1 6.764 0.030 . 1 . . . . 52 TYR HD1 . 11328 1 522 . 1 1 52 52 TYR HD2 H 1 6.764 0.030 . 1 . . . . 52 TYR HD2 . 11328 1 523 . 1 1 52 52 TYR HE1 H 1 6.615 0.030 . 1 . . . . 52 TYR HE1 . 11328 1 524 . 1 1 52 52 TYR HE2 H 1 6.615 0.030 . 1 . . . . 52 TYR HE2 . 11328 1 525 . 1 1 52 52 TYR C C 13 173.133 0.300 . 1 . . . . 52 TYR C . 11328 1 526 . 1 1 52 52 TYR CA C 13 57.194 0.300 . 1 . . . . 52 TYR CA . 11328 1 527 . 1 1 52 52 TYR CB C 13 40.751 0.300 . 1 . . . . 52 TYR CB . 11328 1 528 . 1 1 52 52 TYR CD1 C 13 132.920 0.300 . 1 . . . . 52 TYR CD1 . 11328 1 529 . 1 1 52 52 TYR CD2 C 13 132.920 0.300 . 1 . . . . 52 TYR CD2 . 11328 1 530 . 1 1 52 52 TYR CE1 C 13 118.317 0.300 . 1 . . . . 52 TYR CE1 . 11328 1 531 . 1 1 52 52 TYR CE2 C 13 118.317 0.300 . 1 . . . . 52 TYR CE2 . 11328 1 532 . 1 1 52 52 TYR N N 15 124.116 0.300 . 1 . . . . 52 TYR N . 11328 1 533 . 1 1 53 53 HIS H H 1 7.666 0.030 . 1 . . . . 53 HIS H . 11328 1 534 . 1 1 53 53 HIS HA H 1 4.764 0.030 . 1 . . . . 53 HIS HA . 11328 1 535 . 1 1 53 53 HIS HB2 H 1 2.886 0.030 . 2 . . . . 53 HIS HB2 . 11328 1 536 . 1 1 53 53 HIS HB3 H 1 2.756 0.030 . 2 . . . . 53 HIS HB3 . 11328 1 537 . 1 1 53 53 HIS HD2 H 1 6.906 0.030 . 1 . . . . 53 HIS HD2 . 11328 1 538 . 1 1 53 53 HIS HE1 H 1 7.857 0.030 . 1 . . . . 53 HIS HE1 . 11328 1 539 . 1 1 53 53 HIS C C 13 172.233 0.300 . 1 . . . . 53 HIS C . 11328 1 540 . 1 1 53 53 HIS CA C 13 52.919 0.300 . 1 . . . . 53 HIS CA . 11328 1 541 . 1 1 53 53 HIS CB C 13 30.861 0.300 . 1 . . . . 53 HIS CB . 11328 1 542 . 1 1 53 53 HIS CD2 C 13 120.265 0.300 . 1 . . . . 53 HIS CD2 . 11328 1 543 . 1 1 53 53 HIS CE1 C 13 137.907 0.300 . 1 . . . . 53 HIS CE1 . 11328 1 544 . 1 1 53 53 HIS N N 15 125.831 0.300 . 1 . . . . 53 HIS N . 11328 1 545 . 1 1 54 54 PRO HA H 1 4.193 0.030 . 1 . . . . 54 PRO HA . 11328 1 546 . 1 1 54 54 PRO HB2 H 1 1.854 0.030 . 2 . . . . 54 PRO HB2 . 11328 1 547 . 1 1 54 54 PRO HB3 H 1 2.267 0.030 . 2 . . . . 54 PRO HB3 . 11328 1 548 . 1 1 54 54 PRO HD2 H 1 3.421 0.030 . 2 . . . . 54 PRO HD2 . 11328 1 549 . 1 1 54 54 PRO HD3 H 1 3.482 0.030 . 2 . . . . 54 PRO HD3 . 11328 1 550 . 1 1 54 54 PRO HG2 H 1 2.014 0.030 . 2 . . . . 54 PRO HG2 . 11328 1 551 . 1 1 54 54 PRO HG3 H 1 1.916 0.030 . 2 . . . . 54 PRO HG3 . 11328 1 552 . 1 1 54 54 PRO C C 13 176.628 0.300 . 1 . . . . 54 PRO C . 11328 1 553 . 1 1 54 54 PRO CA C 13 62.881 0.300 . 1 . . . . 54 PRO CA . 11328 1 554 . 1 1 54 54 PRO CB C 13 32.199 0.300 . 1 . . . . 54 PRO CB . 11328 1 555 . 1 1 54 54 PRO CD C 13 50.756 0.300 . 1 . . . . 54 PRO CD . 11328 1 556 . 1 1 54 54 PRO CG C 13 27.290 0.300 . 1 . . . . 54 PRO CG . 11328 1 557 . 1 1 55 55 ARG H H 1 8.440 0.030 . 1 . . . . 55 ARG H . 11328 1 558 . 1 1 55 55 ARG HA H 1 4.261 0.030 . 1 . . . . 55 ARG HA . 11328 1 559 . 1 1 55 55 ARG HB2 H 1 1.789 0.030 . 2 . . . . 55 ARG HB2 . 11328 1 560 . 1 1 55 55 ARG HB3 H 1 1.714 0.030 . 2 . . . . 55 ARG HB3 . 11328 1 561 . 1 1 55 55 ARG HD2 H 1 3.151 0.030 . 1 . . . . 55 ARG HD2 . 11328 1 562 . 1 1 55 55 ARG HD3 H 1 3.151 0.030 . 1 . . . . 55 ARG HD3 . 11328 1 563 . 1 1 55 55 ARG HG2 H 1 1.590 0.030 . 2 . . . . 55 ARG HG2 . 11328 1 564 . 1 1 55 55 ARG HG3 H 1 1.554 0.030 . 2 . . . . 55 ARG HG3 . 11328 1 565 . 1 1 55 55 ARG C C 13 175.940 0.300 . 1 . . . . 55 ARG C . 11328 1 566 . 1 1 55 55 ARG CA C 13 55.970 0.300 . 1 . . . . 55 ARG CA . 11328 1 567 . 1 1 55 55 ARG CB C 13 30.557 0.300 . 1 . . . . 55 ARG CB . 11328 1 568 . 1 1 55 55 ARG CD C 13 43.288 0.300 . 1 . . . . 55 ARG CD . 11328 1 569 . 1 1 55 55 ARG CG C 13 27.243 0.300 . 1 . . . . 55 ARG CG . 11328 1 570 . 1 1 55 55 ARG N N 15 120.927 0.300 . 1 . . . . 55 ARG N . 11328 1 571 . 1 1 56 56 ARG H H 1 8.327 0.030 . 1 . . . . 56 ARG H . 11328 1 572 . 1 1 56 56 ARG HA H 1 4.608 0.030 . 1 . . . . 56 ARG HA . 11328 1 573 . 1 1 56 56 ARG HB2 H 1 1.826 0.030 . 2 . . . . 56 ARG HB2 . 11328 1 574 . 1 1 56 56 ARG HB3 H 1 1.680 0.030 . 2 . . . . 56 ARG HB3 . 11328 1 575 . 1 1 56 56 ARG HD2 H 1 3.151 0.030 . 1 . . . . 56 ARG HD2 . 11328 1 576 . 1 1 56 56 ARG HD3 H 1 3.151 0.030 . 1 . . . . 56 ARG HD3 . 11328 1 577 . 1 1 56 56 ARG HG2 H 1 1.619 0.030 . 1 . . . . 56 ARG HG2 . 11328 1 578 . 1 1 56 56 ARG HG3 H 1 1.619 0.030 . 1 . . . . 56 ARG HG3 . 11328 1 579 . 1 1 56 56 ARG CA C 13 53.702 0.300 . 1 . . . . 56 ARG CA . 11328 1 580 . 1 1 56 56 ARG CB C 13 30.385 0.300 . 1 . . . . 56 ARG CB . 11328 1 581 . 1 1 56 56 ARG CD C 13 43.380 0.300 . 1 . . . . 56 ARG CD . 11328 1 582 . 1 1 56 56 ARG CG C 13 26.924 0.300 . 1 . . . . 56 ARG CG . 11328 1 583 . 1 1 56 56 ARG N N 15 123.800 0.300 . 1 . . . . 56 ARG N . 11328 1 584 . 1 1 57 57 PRO HB2 H 1 1.962 0.030 . 2 . . . . 57 PRO HB2 . 11328 1 585 . 1 1 57 57 PRO HB3 H 1 2.260 0.030 . 2 . . . . 57 PRO HB3 . 11328 1 586 . 1 1 57 57 PRO HD2 H 1 3.625 0.030 . 2 . . . . 57 PRO HD2 . 11328 1 587 . 1 1 57 57 PRO HD3 H 1 3.769 0.030 . 2 . . . . 57 PRO HD3 . 11328 1 588 . 1 1 57 57 PRO HG2 H 1 1.673 0.030 . 2 . . . . 57 PRO HG2 . 11328 1 589 . 1 1 57 57 PRO HG3 H 1 1.852 0.030 . 2 . . . . 57 PRO HG3 . 11328 1 590 . 1 1 57 57 PRO CA C 13 63.000 0.300 . 1 . . . . 57 PRO CA . 11328 1 591 . 1 1 57 57 PRO CB C 13 32.310 0.300 . 1 . . . . 57 PRO CB . 11328 1 592 . 1 1 57 57 PRO CD C 13 50.631 0.300 . 1 . . . . 57 PRO CD . 11328 1 593 . 1 1 57 57 PRO CG C 13 27.621 0.300 . 1 . . . . 57 PRO CG . 11328 1 594 . 1 1 58 58 CYS HA H 1 4.431 0.030 . 1 . . . . 58 CYS HA . 11328 1 595 . 1 1 58 58 CYS HB2 H 1 2.932 0.030 . 1 . . . . 58 CYS HB2 . 11328 1 596 . 1 1 58 58 CYS HB3 H 1 2.932 0.030 . 1 . . . . 58 CYS HB3 . 11328 1 597 . 1 1 58 58 CYS CA C 13 58.786 0.300 . 1 . . . . 58 CYS CA . 11328 1 598 . 1 1 58 58 CYS CB C 13 28.033 0.300 . 1 . . . . 58 CYS CB . 11328 1 599 . 1 1 59 59 GLN HA H 1 4.312 0.030 . 1 . . . . 59 GLN HA . 11328 1 600 . 1 1 59 59 GLN HB2 H 1 1.984 0.030 . 2 . . . . 59 GLN HB2 . 11328 1 601 . 1 1 59 59 GLN HB3 H 1 2.118 0.030 . 2 . . . . 59 GLN HB3 . 11328 1 602 . 1 1 59 59 GLN HE21 H 1 6.875 0.030 . 2 . . . . 59 GLN HE21 . 11328 1 603 . 1 1 59 59 GLN HE22 H 1 7.548 0.030 . 2 . . . . 59 GLN HE22 . 11328 1 604 . 1 1 59 59 GLN HG2 H 1 2.344 0.030 . 1 . . . . 59 GLN HG2 . 11328 1 605 . 1 1 59 59 GLN HG3 H 1 2.344 0.030 . 1 . . . . 59 GLN HG3 . 11328 1 606 . 1 1 59 59 GLN CA C 13 55.970 0.300 . 1 . . . . 59 GLN CA . 11328 1 607 . 1 1 59 59 GLN CB C 13 29.133 0.300 . 1 . . . . 59 GLN CB . 11328 1 608 . 1 1 59 59 GLN CG C 13 33.909 0.300 . 1 . . . . 59 GLN CG . 11328 1 609 . 1 1 59 59 GLN NE2 N 15 112.634 0.300 . 1 . . . . 59 GLN NE2 . 11328 1 610 . 1 1 60 60 GLU HA H 1 4.214 0.030 . 1 . . . . 60 GLU HA . 11328 1 611 . 1 1 60 60 GLU HB2 H 1 1.927 0.030 . 2 . . . . 60 GLU HB2 . 11328 1 612 . 1 1 60 60 GLU HB3 H 1 1.651 0.030 . 2 . . . . 60 GLU HB3 . 11328 1 613 . 1 1 60 60 GLU HG2 H 1 2.183 0.030 . 2 . . . . 60 GLU HG2 . 11328 1 614 . 1 1 60 60 GLU HG3 H 1 2.023 0.030 . 2 . . . . 60 GLU HG3 . 11328 1 615 . 1 1 60 60 GLU CA C 13 56.726 0.300 . 1 . . . . 60 GLU CA . 11328 1 616 . 1 1 60 60 GLU CB C 13 30.004 0.300 . 1 . . . . 60 GLU CB . 11328 1 617 . 1 1 60 60 GLU CG C 13 36.212 0.300 . 1 . . . . 60 GLU CG . 11328 1 618 . 1 1 61 61 HIS HA H 1 4.689 0.030 . 1 . . . . 61 HIS HA . 11328 1 619 . 1 1 61 61 HIS HB2 H 1 3.081 0.030 . 2 . . . . 61 HIS HB2 . 11328 1 620 . 1 1 61 61 HIS HB3 H 1 3.157 0.030 . 2 . . . . 61 HIS HB3 . 11328 1 621 . 1 1 61 61 HIS HD2 H 1 7.038 0.030 . 1 . . . . 61 HIS HD2 . 11328 1 622 . 1 1 61 61 HIS HE1 H 1 7.900 0.030 . 1 . . . . 61 HIS HE1 . 11328 1 623 . 1 1 61 61 HIS CA C 13 56.203 0.300 . 1 . . . . 61 HIS CA . 11328 1 624 . 1 1 61 61 HIS CB C 13 30.702 0.300 . 1 . . . . 61 HIS CB . 11328 1 625 . 1 1 61 61 HIS CD2 C 13 119.937 0.300 . 1 . . . . 61 HIS CD2 . 11328 1 626 . 1 1 61 61 HIS CE1 C 13 138.154 0.300 . 1 . . . . 61 HIS CE1 . 11328 1 627 . 1 1 62 62 SER HA H 1 4.490 0.030 . 1 . . . . 62 SER HA . 11328 1 628 . 1 1 62 62 SER HB2 H 1 3.881 0.030 . 1 . . . . 62 SER HB2 . 11328 1 629 . 1 1 62 62 SER HB3 H 1 3.881 0.030 . 1 . . . . 62 SER HB3 . 11328 1 630 . 1 1 62 62 SER C C 13 174.497 0.300 . 1 . . . . 62 SER C . 11328 1 631 . 1 1 62 62 SER CA C 13 58.287 0.300 . 1 . . . . 62 SER CA . 11328 1 632 . 1 1 62 62 SER CB C 13 63.762 0.300 . 1 . . . . 62 SER CB . 11328 1 stop_ save_