################################### # 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18946 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_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 1H-13C NOESY aliphatic' . . . 18946 1 2 '3D 1H-13C NOESY aromatic' . . . 18946 1 3 '3D 1H-15N NOESY' . . . 18946 1 4 '3D HNCO' . . . 18946 1 5 '3D HNCACB' . . . 18946 1 6 '3D CBCA(CO)NH' . . . 18946 1 7 '3D C(CO)NH' . . . 18946 1 8 '3D H(CCO)NH' . . . 18946 1 9 '4D HC(CO)NH' . . . 18946 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 1 1 SER HA H 1 4.204 0.02 . 1 . . . A 1 SER HA . 18946 1 2 . 1 1 1 1 SER HB2 H 1 3.997 0.02 . 1 . . . A 1 SER HB2 . 18946 1 3 . 1 1 1 1 SER HB3 H 1 3.997 0.02 . 1 . . . A 1 SER HB3 . 18946 1 4 . 1 1 1 1 SER CB C 13 63.442 0.30 . 1 . . . A 1 SER CB . 18946 1 5 . 1 1 2 2 CYS HA H 1 4.714 0.02 . 1 . . . A 2 CYS HA . 18946 1 6 . 1 1 2 2 CYS HB2 H 1 3.178 0.02 . 2 . . . A 2 CYS HB2 . 18946 1 7 . 1 1 2 2 CYS HB3 H 1 2.877 0.02 . 2 . . . A 2 CYS HB3 . 18946 1 8 . 1 1 2 2 CYS C C 13 173.194 0.30 . 1 . . . A 2 CYS C . 18946 1 9 . 1 1 2 2 CYS CA C 13 54.527 0.30 . 1 . . . A 2 CYS CA . 18946 1 10 . 1 1 2 2 CYS CB C 13 42.266 0.30 . 1 . . . A 2 CYS CB . 18946 1 11 . 1 1 3 3 ASN H H 1 9.165 0.02 . 1 . . . A 3 ASN H . 18946 1 12 . 1 1 3 3 ASN HA H 1 5.231 0.02 . 1 . . . A 3 ASN HA . 18946 1 13 . 1 1 3 3 ASN HB2 H 1 3.053 0.02 . 2 . . . A 3 ASN HB2 . 18946 1 14 . 1 1 3 3 ASN HB3 H 1 2.817 0.02 . 2 . . . A 3 ASN HB3 . 18946 1 15 . 1 1 3 3 ASN HD21 H 1 8.003 0.02 . 2 . . . A 3 ASN HD21 . 18946 1 16 . 1 1 3 3 ASN HD22 H 1 7.013 0.02 . 2 . . . A 3 ASN HD22 . 18946 1 17 . 1 1 3 3 ASN C C 13 175.422 0.30 . 1 . . . A 3 ASN C . 18946 1 18 . 1 1 3 3 ASN CA C 13 52.515 0.30 . 1 . . . A 3 ASN CA . 18946 1 19 . 1 1 3 3 ASN CB C 13 39.858 0.30 . 1 . . . A 3 ASN CB . 18946 1 20 . 1 1 3 3 ASN N N 15 118.989 0.20 . 1 . . . A 3 ASN N . 18946 1 21 . 1 1 3 3 ASN ND2 N 15 114.264 0.20 . 1 . . . A 3 ASN ND2 . 18946 1 22 . 1 1 4 4 SER H H 1 8.840 0.02 . 1 . . . A 4 SER H . 18946 1 23 . 1 1 4 4 SER HA H 1 4.368 0.02 . 1 . . . A 4 SER HA . 18946 1 24 . 1 1 4 4 SER HB2 H 1 3.993 0.02 . 1 . . . A 4 SER HB2 . 18946 1 25 . 1 1 4 4 SER HB3 H 1 3.993 0.02 . 1 . . . A 4 SER HB3 . 18946 1 26 . 1 1 4 4 SER C C 13 174.380 0.30 . 1 . . . A 4 SER C . 18946 1 27 . 1 1 4 4 SER CA C 13 58.144 0.30 . 1 . . . A 4 SER CA . 18946 1 28 . 1 1 4 4 SER CB C 13 64.959 0.30 . 1 . . . A 4 SER CB . 18946 1 29 . 1 1 4 4 SER N N 15 118.061 0.20 . 1 . . . A 4 SER N . 18946 1 30 . 1 1 5 5 LYS H H 1 8.570 0.02 . 1 . . . A 5 LYS H . 18946 1 31 . 1 1 5 5 LYS HA H 1 3.793 0.02 . 1 . . . A 5 LYS HA . 18946 1 32 . 1 1 5 5 LYS HB2 H 1 1.772 0.02 . 2 . . . A 5 LYS HB2 . 18946 1 33 . 1 1 5 5 LYS HB3 H 1 1.678 0.02 . 2 . . . A 5 LYS HB3 . 18946 1 34 . 1 1 5 5 LYS HG2 H 1 1.288 0.02 . 1 . . . A 5 LYS HG2 . 18946 1 35 . 1 1 5 5 LYS HG3 H 1 1.288 0.02 . 1 . . . A 5 LYS HG3 . 18946 1 36 . 1 1 5 5 LYS HD2 H 1 1.505 0.02 . 2 . . . A 5 LYS HD2 . 18946 1 37 . 1 1 5 5 LYS HD3 H 1 1.512 0.02 . 2 . . . A 5 LYS HD3 . 18946 1 38 . 1 1 5 5 LYS HE2 H 1 2.852 0.02 . 2 . . . A 5 LYS HE2 . 18946 1 39 . 1 1 5 5 LYS HE3 H 1 2.822 0.02 . 2 . . . A 5 LYS HE3 . 18946 1 40 . 1 1 5 5 LYS C C 13 176.787 0.30 . 1 . . . A 5 LYS C . 18946 1 41 . 1 1 5 5 LYS CA C 13 57.710 0.30 . 1 . . . A 5 LYS CA . 18946 1 42 . 1 1 5 5 LYS CB C 13 32.685 0.30 . 1 . . . A 5 LYS CB . 18946 1 43 . 1 1 5 5 LYS CG C 13 23.940 0.30 . 1 . . . A 5 LYS CG . 18946 1 44 . 1 1 5 5 LYS CD C 13 29.809 0.30 . 1 . . . A 5 LYS CD . 18946 1 45 . 1 1 5 5 LYS CE C 13 42.024 0.30 . 1 . . . A 5 LYS CE . 18946 1 46 . 1 1 5 5 LYS N N 15 123.179 0.20 . 1 . . . A 5 LYS N . 18946 1 47 . 1 1 6 6 GLY H H 1 9.218 0.02 . 1 . . . A 6 GLY H . 18946 1 48 . 1 1 6 6 GLY HA2 H 1 4.463 0.02 . 2 . . . A 6 GLY HA2 . 18946 1 49 . 1 1 6 6 GLY HA3 H 1 3.680 0.02 . 2 . . . A 6 GLY HA3 . 18946 1 50 . 1 1 6 6 GLY C C 13 173.787 0.30 . 1 . . . A 6 GLY C . 18946 1 51 . 1 1 6 6 GLY CA C 13 44.885 0.30 . 1 . . . A 6 GLY CA . 18946 1 52 . 1 1 6 6 GLY N N 15 113.621 0.20 . 1 . . . A 6 GLY N . 18946 1 53 . 1 1 7 7 THR H H 1 7.693 0.02 . 1 . . . A 7 THR H . 18946 1 54 . 1 1 7 7 THR HA H 1 4.470 0.02 . 1 . . . A 7 THR HA . 18946 1 55 . 1 1 7 7 THR HB H 1 3.980 0.02 . 1 . . . A 7 THR HB . 18946 1 56 . 1 1 7 7 THR HG1 H 1 5.538 0.02 . 1 . . . A 7 THR HG1 . 18946 1 57 . 1 1 7 7 THR HG21 H 1 1.381 0.02 . 1 . . . A 7 THR HG21 . 18946 1 58 . 1 1 7 7 THR HG22 H 1 1.381 0.02 . 1 . . . A 7 THR HG22 . 18946 1 59 . 1 1 7 7 THR HG23 H 1 1.381 0.02 . 1 . . . A 7 THR HG23 . 18946 1 60 . 1 1 7 7 THR C C 13 175.386 0.30 . 1 . . . A 7 THR C . 18946 1 61 . 1 1 7 7 THR CA C 13 61.528 0.30 . 1 . . . A 7 THR CA . 18946 1 62 . 1 1 7 7 THR CB C 13 70.004 0.30 . 1 . . . A 7 THR CB . 18946 1 63 . 1 1 7 7 THR CG2 C 13 21.059 0.30 . 1 . . . A 7 THR CG2 . 18946 1 64 . 1 1 7 7 THR N N 15 117.669 0.20 . 1 . . . A 7 THR N . 18946 1 65 . 1 1 8 8 PRO HA H 1 4.846 0.02 . 1 . . . A 8 PRO HA . 18946 1 66 . 1 1 8 8 PRO HB2 H 1 2.392 0.02 . 2 . . . A 8 PRO HB2 . 18946 1 67 . 1 1 8 8 PRO HB3 H 1 1.820 0.02 . 2 . . . A 8 PRO HB3 . 18946 1 68 . 1 1 8 8 PRO HG2 H 1 2.138 0.02 . 2 . . . A 8 PRO HG2 . 18946 1 69 . 1 1 8 8 PRO HG3 H 1 1.931 0.02 . 2 . . . A 8 PRO HG3 . 18946 1 70 . 1 1 8 8 PRO HD2 H 1 4.094 0.02 . 2 . . . A 8 PRO HD2 . 18946 1 71 . 1 1 8 8 PRO HD3 H 1 3.675 0.02 . 2 . . . A 8 PRO HD3 . 18946 1 72 . 1 1 8 8 PRO CA C 13 63.715 0.30 . 1 . . . A 8 PRO CA . 18946 1 73 . 1 1 8 8 PRO CB C 13 32.544 0.30 . 1 . . . A 8 PRO CB . 18946 1 74 . 1 1 8 8 PRO CG C 13 28.169 0.30 . 1 . . . A 8 PRO CG . 18946 1 75 . 1 1 8 8 PRO CD C 13 51.411 0.30 . 1 . . . A 8 PRO CD . 18946 1 76 . 1 1 9 9 CYS H H 1 8.053 0.02 . 1 . . . A 9 CYS H . 18946 1 77 . 1 1 9 9 CYS HA H 1 4.981 0.02 . 1 . . . A 9 CYS HA . 18946 1 78 . 1 1 9 9 CYS HB2 H 1 3.022 0.02 . 1 . . . A 9 CYS HB2 . 18946 1 79 . 1 1 9 9 CYS HB3 H 1 3.266 0.02 . 1 . . . A 9 CYS HB3 . 18946 1 80 . 1 1 9 9 CYS C C 13 172.530 0.30 . 1 . . . A 9 CYS C . 18946 1 81 . 1 1 9 9 CYS CA C 13 53.720 0.30 . 1 . . . A 9 CYS CA . 18946 1 82 . 1 1 9 9 CYS CB C 13 48.546 0.30 . 1 . . . A 9 CYS CB . 18946 1 83 . 1 1 9 9 CYS N N 15 117.953 0.20 . 1 . . . A 9 CYS N . 18946 1 84 . 1 1 10 10 THR H H 1 9.547 0.02 . 1 . . . A 10 THR H . 18946 1 85 . 1 1 10 10 THR HA H 1 4.229 0.02 . 1 . . . A 10 THR HA . 18946 1 86 . 1 1 10 10 THR HB H 1 4.167 0.02 . 1 . . . A 10 THR HB . 18946 1 87 . 1 1 10 10 THR HG21 H 1 1.153 0.02 . 1 . . . A 10 THR HG21 . 18946 1 88 . 1 1 10 10 THR HG22 H 1 1.153 0.02 . 1 . . . A 10 THR HG22 . 18946 1 89 . 1 1 10 10 THR HG23 H 1 1.153 0.02 . 1 . . . A 10 THR HG23 . 18946 1 90 . 1 1 10 10 THR C C 13 173.661 0.30 . 1 . . . A 10 THR C . 18946 1 91 . 1 1 10 10 THR CA C 13 63.650 0.30 . 1 . . . A 10 THR CA . 18946 1 92 . 1 1 10 10 THR CB C 13 70.040 0.30 . 1 . . . A 10 THR CB . 18946 1 93 . 1 1 10 10 THR CG2 C 13 21.584 0.30 . 1 . . . A 10 THR CG2 . 18946 1 94 . 1 1 10 10 THR N N 15 113.269 0.20 . 1 . . . A 10 THR N . 18946 1 95 . 1 1 11 11 ASN H H 1 8.256 0.02 . 1 . . . A 11 ASN H . 18946 1 96 . 1 1 11 11 ASN HA H 1 4.844 0.02 . 1 . . . A 11 ASN HA . 18946 1 97 . 1 1 11 11 ASN HB2 H 1 2.852 0.02 . 2 . . . A 11 ASN HB2 . 18946 1 98 . 1 1 11 11 ASN HB3 H 1 2.742 0.02 . 2 . . . A 11 ASN HB3 . 18946 1 99 . 1 1 11 11 ASN HD21 H 1 7.688 0.02 . 2 . . . A 11 ASN HD21 . 18946 1 100 . 1 1 11 11 ASN HD22 H 1 6.887 0.02 . 2 . . . A 11 ASN HD22 . 18946 1 101 . 1 1 11 11 ASN C C 13 174.703 0.30 . 1 . . . A 11 ASN C . 18946 1 102 . 1 1 11 11 ASN CA C 13 52.019 0.30 . 1 . . . A 11 ASN CA . 18946 1 103 . 1 1 11 11 ASN CB C 13 42.021 0.30 . 1 . . . A 11 ASN CB . 18946 1 104 . 1 1 11 11 ASN N N 15 120.288 0.20 . 1 . . . A 11 ASN N . 18946 1 105 . 1 1 11 11 ASN ND2 N 15 115.033 0.20 . 1 . . . A 11 ASN ND2 . 18946 1 106 . 1 1 12 12 ALA H H 1 8.720 0.02 . 1 . . . A 12 ALA H . 18946 1 107 . 1 1 12 12 ALA HA H 1 3.605 0.02 . 1 . . . A 12 ALA HA . 18946 1 108 . 1 1 12 12 ALA HB1 H 1 1.374 0.02 . 1 . . . A 12 ALA HB1 . 18946 1 109 . 1 1 12 12 ALA HB2 H 1 1.374 0.02 . 1 . . . A 12 ALA HB2 . 18946 1 110 . 1 1 12 12 ALA HB3 H 1 1.374 0.02 . 1 . . . A 12 ALA HB3 . 18946 1 111 . 1 1 12 12 ALA C C 13 178.484 0.30 . 1 . . . A 12 ALA C . 18946 1 112 . 1 1 12 12 ALA CA C 13 55.905 0.30 . 1 . . . A 12 ALA CA . 18946 1 113 . 1 1 12 12 ALA CB C 13 18.819 0.30 . 1 . . . A 12 ALA CB . 18946 1 114 . 1 1 12 12 ALA N N 15 124.008 0.20 . 1 . . . A 12 ALA N . 18946 1 115 . 1 1 13 13 ASP H H 1 8.271 0.02 . 1 . . . A 13 ASP H . 18946 1 116 . 1 1 13 13 ASP HA H 1 4.361 0.02 . 1 . . . A 13 ASP HA . 18946 1 117 . 1 1 13 13 ASP HB2 H 1 2.690 0.02 . 2 . . . A 13 ASP HB2 . 18946 1 118 . 1 1 13 13 ASP HB3 H 1 2.336 0.02 . 2 . . . A 13 ASP HB3 . 18946 1 119 . 1 1 13 13 ASP C C 13 177.288 0.30 . 1 . . . A 13 ASP C . 18946 1 120 . 1 1 13 13 ASP CA C 13 55.785 0.30 . 1 . . . A 13 ASP CA . 18946 1 121 . 1 1 13 13 ASP CB C 13 39.745 0.30 . 1 . . . A 13 ASP CB . 18946 1 122 . 1 1 13 13 ASP N N 15 114.276 0.20 . 1 . . . A 13 ASP N . 18946 1 123 . 1 1 14 14 GLU H H 1 7.521 0.02 . 1 . . . A 14 GLU H . 18946 1 124 . 1 1 14 14 GLU HA H 1 4.214 0.02 . 1 . . . A 14 GLU HA . 18946 1 125 . 1 1 14 14 GLU HB2 H 1 2.328 0.02 . 2 . . . A 14 GLU HB2 . 18946 1 126 . 1 1 14 14 GLU HB3 H 1 2.250 0.02 . 2 . . . A 14 GLU HB3 . 18946 1 127 . 1 1 14 14 GLU HG2 H 1 2.717 0.02 . 2 . . . A 14 GLU HG2 . 18946 1 128 . 1 1 14 14 GLU HG3 H 1 2.353 0.02 . 2 . . . A 14 GLU HG3 . 18946 1 129 . 1 1 14 14 GLU C C 13 177.726 0.30 . 1 . . . A 14 GLU C . 18946 1 130 . 1 1 14 14 GLU CA C 13 57.161 0.30 . 1 . . . A 14 GLU CA . 18946 1 131 . 1 1 14 14 GLU CB C 13 31.897 0.30 . 1 . . . A 14 GLU CB . 18946 1 132 . 1 1 14 14 GLU CG C 13 37.097 0.30 . 1 . . . A 14 GLU CG . 18946 1 133 . 1 1 14 14 GLU N N 15 116.666 0.20 . 1 . . . A 14 GLU N . 18946 1 134 . 1 1 15 15 CYS H H 1 7.896 0.02 . 1 . . . A 15 CYS H . 18946 1 135 . 1 1 15 15 CYS HA H 1 5.115 0.02 . 1 . . . A 15 CYS HA . 18946 1 136 . 1 1 15 15 CYS HB2 H 1 3.376 0.02 . 2 . . . A 15 CYS HB2 . 18946 1 137 . 1 1 15 15 CYS HB3 H 1 2.708 0.02 . 2 . . . A 15 CYS HB3 . 18946 1 138 . 1 1 15 15 CYS C C 13 176.361 0.30 . 1 . . . A 15 CYS C . 18946 1 139 . 1 1 15 15 CYS CA C 13 53.135 0.30 . 1 . . . A 15 CYS CA . 18946 1 140 . 1 1 15 15 CYS CB C 13 38.011 0.30 . 1 . . . A 15 CYS CB . 18946 1 141 . 1 1 15 15 CYS N N 15 117.891 0.20 . 1 . . . A 15 CYS N . 18946 1 142 . 1 1 16 16 CYS H H 1 9.801 0.02 . 1 . . . A 16 CYS H . 18946 1 143 . 1 1 16 16 CYS HA H 1 4.512 0.02 . 1 . . . A 16 CYS HA . 18946 1 144 . 1 1 16 16 CYS HB2 H 1 3.215 0.02 . 2 . . . A 16 CYS HB2 . 18946 1 145 . 1 1 16 16 CYS HB3 H 1 2.765 0.02 . 2 . . . A 16 CYS HB3 . 18946 1 146 . 1 1 16 16 CYS C C 13 176.428 0.30 . 1 . . . A 16 CYS C . 18946 1 147 . 1 1 16 16 CYS CA C 13 56.768 0.30 . 1 . . . A 16 CYS CA . 18946 1 148 . 1 1 16 16 CYS CB C 13 38.457 0.30 . 1 . . . A 16 CYS CB . 18946 1 149 . 1 1 16 16 CYS N N 15 127.154 0.20 . 1 . . . A 16 CYS N . 18946 1 150 . 1 1 17 17 GLY H H 1 9.092 0.02 . 1 . . . A 17 GLY H . 18946 1 151 . 1 1 17 17 GLY HA2 H 1 4.076 0.02 . 2 . . . A 17 GLY HA2 . 18946 1 152 . 1 1 17 17 GLY HA3 H 1 3.903 0.02 . 2 . . . A 17 GLY HA3 . 18946 1 153 . 1 1 17 17 GLY C C 13 175.703 0.30 . 1 . . . A 17 GLY C . 18946 1 154 . 1 1 17 17 GLY CA C 13 45.462 0.30 . 1 . . . A 17 GLY CA . 18946 1 155 . 1 1 17 17 GLY N N 15 107.375 0.20 . 1 . . . A 17 GLY N . 18946 1 156 . 1 1 18 18 GLY H H 1 7.602 0.02 . 1 . . . A 18 GLY H . 18946 1 157 . 1 1 18 18 GLY HA2 H 1 3.903 0.02 . 2 . . . A 18 GLY HA2 . 18946 1 158 . 1 1 18 18 GLY HA3 H 1 3.887 0.02 . 2 . . . A 18 GLY HA3 . 18946 1 159 . 1 1 18 18 GLY C C 13 173.192 0.30 . 1 . . . A 18 GLY C . 18946 1 160 . 1 1 18 18 GLY CA C 13 45.942 0.30 . 1 . . . A 18 GLY CA . 18946 1 161 . 1 1 18 18 GLY N N 15 104.733 0.20 . 1 . . . A 18 GLY N . 18946 1 162 . 1 1 19 19 LYS H H 1 7.561 0.02 . 1 . . . A 19 LYS H . 18946 1 163 . 1 1 19 19 LYS HA H 1 4.611 0.02 . 1 . . . A 19 LYS HA . 18946 1 164 . 1 1 19 19 LYS HB2 H 1 1.590 0.02 . 2 . . . A 19 LYS HB2 . 18946 1 165 . 1 1 19 19 LYS HB3 H 1 1.475 0.02 . 2 . . . A 19 LYS HB3 . 18946 1 166 . 1 1 19 19 LYS HG2 H 1 1.319 0.02 . 2 . . . A 19 LYS HG2 . 18946 1 167 . 1 1 19 19 LYS HG3 H 1 1.180 0.02 . 2 . . . A 19 LYS HG3 . 18946 1 168 . 1 1 19 19 LYS HD2 H 1 1.530 0.02 . 2 . . . A 19 LYS HD2 . 18946 1 169 . 1 1 19 19 LYS HD3 H 1 1.508 0.02 . 2 . . . A 19 LYS HD3 . 18946 1 170 . 1 1 19 19 LYS HE2 H 1 2.849 0.02 . 1 . . . A 19 LYS HE2 . 18946 1 171 . 1 1 19 19 LYS HE3 H 1 2.849 0.02 . 1 . . . A 19 LYS HE3 . 18946 1 172 . 1 1 19 19 LYS C C 13 174.052 0.30 . 1 . . . A 19 LYS C . 18946 1 173 . 1 1 19 19 LYS CA C 13 54.913 0.30 . 1 . . . A 19 LYS CA . 18946 1 174 . 1 1 19 19 LYS CB C 13 35.238 0.30 . 1 . . . A 19 LYS CB . 18946 1 175 . 1 1 19 19 LYS CG C 13 24.715 0.30 . 1 . . . A 19 LYS CG . 18946 1 176 . 1 1 19 19 LYS CD C 13 28.989 0.30 . 1 . . . A 19 LYS CD . 18946 1 177 . 1 1 19 19 LYS CE C 13 42.114 0.30 . 1 . . . A 19 LYS CE . 18946 1 178 . 1 1 19 19 LYS N N 15 117.332 0.20 . 1 . . . A 19 LYS N . 18946 1 179 . 1 1 20 20 CYS H H 1 8.750 0.02 . 1 . . . A 20 CYS H . 18946 1 180 . 1 1 20 20 CYS HA H 1 4.888 0.02 . 1 . . . A 20 CYS HA . 18946 1 181 . 1 1 20 20 CYS HB2 H 1 2.723 0.02 . 2 . . . A 20 CYS HB2 . 18946 1 182 . 1 1 20 20 CYS HB3 H 1 2.485 0.02 . 2 . . . A 20 CYS HB3 . 18946 1 183 . 1 1 20 20 CYS C C 13 172.653 0.30 . 1 . . . A 20 CYS C . 18946 1 184 . 1 1 20 20 CYS CA C 13 55.450 0.30 . 1 . . . A 20 CYS CA . 18946 1 185 . 1 1 20 20 CYS CB C 13 41.038 0.30 . 1 . . . A 20 CYS CB . 18946 1 186 . 1 1 20 20 CYS N N 15 124.545 0.20 . 1 . . . A 20 CYS N . 18946 1 187 . 1 1 21 21 ALA H H 1 8.425 0.02 . 1 . . . A 21 ALA H . 18946 1 188 . 1 1 21 21 ALA HA H 1 4.571 0.02 . 1 . . . A 21 ALA HA . 18946 1 189 . 1 1 21 21 ALA HB1 H 1 1.342 0.02 . 1 . . . A 21 ALA HB1 . 18946 1 190 . 1 1 21 21 ALA HB2 H 1 1.342 0.02 . 1 . . . A 21 ALA HB2 . 18946 1 191 . 1 1 21 21 ALA HB3 H 1 1.342 0.02 . 1 . . . A 21 ALA HB3 . 18946 1 192 . 1 1 21 21 ALA C C 13 176.192 0.30 . 1 . . . A 21 ALA C . 18946 1 193 . 1 1 21 21 ALA CA C 13 51.185 0.30 . 1 . . . A 21 ALA CA . 18946 1 194 . 1 1 21 21 ALA CB C 13 22.948 0.30 . 1 . . . A 21 ALA CB . 18946 1 195 . 1 1 21 21 ALA N N 15 129.652 0.20 . 1 . . . A 21 ALA N . 18946 1 196 . 1 1 22 22 TYR H H 1 8.260 0.02 . 1 . . . A 22 TYR H . 18946 1 197 . 1 1 22 22 TYR HA H 1 4.586 0.02 . 1 . . . A 22 TYR HA . 18946 1 198 . 1 1 22 22 TYR HB2 H 1 3.072 0.02 . 2 . . . A 22 TYR HB2 . 18946 1 199 . 1 1 22 22 TYR HB3 H 1 2.760 0.02 . 2 . . . A 22 TYR HB3 . 18946 1 200 . 1 1 22 22 TYR HD1 H 1 7.073 0.02 . 1 . . . A 22 TYR HD1 . 18946 1 201 . 1 1 22 22 TYR HD2 H 1 7.073 0.02 . 1 . . . A 22 TYR HD2 . 18946 1 202 . 1 1 22 22 TYR HE1 H 1 6.779 0.02 . 1 . . . A 22 TYR HE1 . 18946 1 203 . 1 1 22 22 TYR HE2 H 1 6.779 0.02 . 1 . . . A 22 TYR HE2 . 18946 1 204 . 1 1 22 22 TYR C C 13 175.973 0.30 . 1 . . . A 22 TYR C . 18946 1 205 . 1 1 22 22 TYR CA C 13 59.127 0.30 . 1 . . . A 22 TYR CA . 18946 1 206 . 1 1 22 22 TYR CB C 13 38.138 0.30 . 1 . . . A 22 TYR CB . 18946 1 207 . 1 1 22 22 TYR CD1 C 13 133.281 0.30 . 1 . . . A 22 TYR CD1 . 18946 1 208 . 1 1 22 22 TYR CD2 C 13 133.281 0.30 . 1 . . . A 22 TYR CD2 . 18946 1 209 . 1 1 22 22 TYR CE1 C 13 118.281 0.30 . 1 . . . A 22 TYR CE1 . 18946 1 210 . 1 1 22 22 TYR CE2 C 13 118.281 0.30 . 1 . . . A 22 TYR CE2 . 18946 1 211 . 1 1 22 22 TYR N N 15 119.615 0.20 . 1 . . . A 22 TYR N . 18946 1 212 . 1 1 23 23 ASN H H 1 8.761 0.02 . 1 . . . A 23 ASN H . 18946 1 213 . 1 1 23 23 ASN HA H 1 4.662 0.02 . 1 . . . A 23 ASN HA . 18946 1 214 . 1 1 23 23 ASN HB2 H 1 2.604 0.02 . 2 . . . A 23 ASN HB2 . 18946 1 215 . 1 1 23 23 ASN HB3 H 1 2.501 0.02 . 2 . . . A 23 ASN HB3 . 18946 1 216 . 1 1 23 23 ASN HD21 H 1 7.405 0.02 . 2 . . . A 23 ASN HD21 . 18946 1 217 . 1 1 23 23 ASN HD22 H 1 6.736 0.02 . 2 . . . A 23 ASN HD22 . 18946 1 218 . 1 1 23 23 ASN C C 13 175.296 0.30 . 1 . . . A 23 ASN C . 18946 1 219 . 1 1 23 23 ASN CA C 13 53.357 0.30 . 1 . . . A 23 ASN CA . 18946 1 220 . 1 1 23 23 ASN CB C 13 38.989 0.30 . 1 . . . A 23 ASN CB . 18946 1 221 . 1 1 23 23 ASN N N 15 122.652 0.20 . 1 . . . A 23 ASN N . 18946 1 222 . 1 1 23 23 ASN ND2 N 15 113.657 0.20 . 1 . . . A 23 ASN ND2 . 18946 1 223 . 1 1 24 24 VAL H H 1 8.222 0.02 . 1 . . . A 24 VAL H . 18946 1 224 . 1 1 24 24 VAL HA H 1 4.076 0.02 . 1 . . . A 24 VAL HA . 18946 1 225 . 1 1 24 24 VAL HB H 1 2.029 0.02 . 1 . . . A 24 VAL HB . 18946 1 226 . 1 1 24 24 VAL HG11 H 1 0.775 0.02 . 1 . . . A 24 VAL HG11 . 18946 1 227 . 1 1 24 24 VAL HG12 H 1 0.775 0.02 . 1 . . . A 24 VAL HG12 . 18946 1 228 . 1 1 24 24 VAL HG13 H 1 0.775 0.02 . 1 . . . A 24 VAL HG13 . 18946 1 229 . 1 1 24 24 VAL HG21 H 1 0.792 0.02 . 1 . . . A 24 VAL HG21 . 18946 1 230 . 1 1 24 24 VAL HG22 H 1 0.792 0.02 . 1 . . . A 24 VAL HG22 . 18946 1 231 . 1 1 24 24 VAL HG23 H 1 0.792 0.02 . 1 . . . A 24 VAL HG23 . 18946 1 232 . 1 1 24 24 VAL C C 13 176.445 0.30 . 1 . . . A 24 VAL C . 18946 1 233 . 1 1 24 24 VAL CA C 13 62.851 0.30 . 1 . . . A 24 VAL CA . 18946 1 234 . 1 1 24 24 VAL CB C 13 32.307 0.30 . 1 . . . A 24 VAL CB . 18946 1 235 . 1 1 24 24 VAL CG1 C 13 21.143 0.30 . 1 . . . A 24 VAL CG1 . 18946 1 236 . 1 1 24 24 VAL CG2 C 13 20.008 0.30 . 1 . . . A 24 VAL CG2 . 18946 1 237 . 1 1 24 24 VAL N N 15 120.619 0.20 . 1 . . . A 24 VAL N . 18946 1 238 . 1 1 25 25 TRP H H 1 7.974 0.02 . 1 . . . A 25 TRP H . 18946 1 239 . 1 1 25 25 TRP HA H 1 4.477 0.02 . 1 . . . A 25 TRP HA . 18946 1 240 . 1 1 25 25 TRP HB2 H 1 3.291 0.02 . 1 . . . A 25 TRP HB2 . 18946 1 241 . 1 1 25 25 TRP HB3 H 1 3.291 0.02 . 1 . . . A 25 TRP HB3 . 18946 1 242 . 1 1 25 25 TRP HD1 H 1 7.293 0.02 . 1 . . . A 25 TRP HD1 . 18946 1 243 . 1 1 25 25 TRP HE1 H 1 10.151 0.02 . 1 . . . A 25 TRP HE1 . 18946 1 244 . 1 1 25 25 TRP HE3 H 1 7.612 0.02 . 1 . . . A 25 TRP HE3 . 18946 1 245 . 1 1 25 25 TRP HZ2 H 1 7.466 0.02 . 1 . . . A 25 TRP HZ2 . 18946 1 246 . 1 1 25 25 TRP HZ3 H 1 7.159 0.02 . 1 . . . A 25 TRP HZ3 . 18946 1 247 . 1 1 25 25 TRP HH2 H 1 7.097 0.02 . 1 . . . A 25 TRP HH2 . 18946 1 248 . 1 1 25 25 TRP C C 13 176.192 0.30 . 1 . . . A 25 TRP C . 18946 1 249 . 1 1 25 25 TRP CA C 13 58.344 0.30 . 1 . . . A 25 TRP CA . 18946 1 250 . 1 1 25 25 TRP CB C 13 28.650 0.30 . 1 . . . A 25 TRP CB . 18946 1 251 . 1 1 25 25 TRP CD1 C 13 127.187 0.30 . 1 . . . A 25 TRP CD1 . 18946 1 252 . 1 1 25 25 TRP CE3 C 13 120.625 0.30 . 1 . . . A 25 TRP CE3 . 18946 1 253 . 1 1 25 25 TRP CZ2 C 13 114.531 0.30 . 1 . . . A 25 TRP CZ2 . 18946 1 254 . 1 1 25 25 TRP CZ3 C 13 122.031 0.30 . 1 . . . A 25 TRP CZ3 . 18946 1 255 . 1 1 25 25 TRP CH2 C 13 121.562 0.30 . 1 . . . A 25 TRP CH2 . 18946 1 256 . 1 1 25 25 TRP N N 15 122.870 0.20 . 1 . . . A 25 TRP N . 18946 1 257 . 1 1 25 25 TRP NE1 N 15 129.686 0.20 . 1 . . . A 25 TRP NE1 . 18946 1 258 . 1 1 26 26 ASN H H 1 7.619 0.02 . 1 . . . A 26 ASN H . 18946 1 259 . 1 1 26 26 ASN HA H 1 4.492 0.02 . 1 . . . A 26 ASN HA . 18946 1 260 . 1 1 26 26 ASN HB2 H 1 2.421 0.02 . 2 . . . A 26 ASN HB2 . 18946 1 261 . 1 1 26 26 ASN HB3 H 1 2.136 0.02 . 2 . . . A 26 ASN HB3 . 18946 1 262 . 1 1 26 26 ASN HD21 H 1 7.322 0.02 . 2 . . . A 26 ASN HD21 . 18946 1 263 . 1 1 26 26 ASN HD22 H 1 6.658 0.02 . 2 . . . A 26 ASN HD22 . 18946 1 264 . 1 1 26 26 ASN C C 13 174.308 0.30 . 1 . . . A 26 ASN C . 18946 1 265 . 1 1 26 26 ASN CA C 13 52.441 0.30 . 1 . . . A 26 ASN CA . 18946 1 266 . 1 1 26 26 ASN CB C 13 37.444 0.30 . 1 . . . A 26 ASN CB . 18946 1 267 . 1 1 26 26 ASN N N 15 117.371 0.20 . 1 . . . A 26 ASN N . 18946 1 268 . 1 1 26 26 ASN ND2 N 15 110.875 0.20 . 1 . . . A 26 ASN ND2 . 18946 1 269 . 1 1 27 27 CYS H H 1 7.747 0.02 . 1 . . . A 27 CYS H . 18946 1 270 . 1 1 27 27 CYS HA H 1 4.592 0.02 . 1 . . . A 27 CYS HA . 18946 1 271 . 1 1 27 27 CYS HB2 H 1 3.141 0.02 . 2 . . . A 27 CYS HB2 . 18946 1 272 . 1 1 27 27 CYS HB3 H 1 2.715 0.02 . 2 . . . A 27 CYS HB3 . 18946 1 273 . 1 1 27 27 CYS C C 13 173.563 0.30 . 1 . . . A 27 CYS C . 18946 1 274 . 1 1 27 27 CYS CA C 13 56.965 0.30 . 1 . . . A 27 CYS CA . 18946 1 275 . 1 1 27 27 CYS CB C 13 40.911 0.30 . 1 . . . A 27 CYS CB . 18946 1 276 . 1 1 27 27 CYS N N 15 119.596 0.20 . 1 . . . A 27 CYS N . 18946 1 277 . 1 1 28 28 ILE H H 1 8.296 0.02 . 1 . . . A 28 ILE H . 18946 1 278 . 1 1 28 28 ILE HA H 1 3.994 0.02 . 1 . . . A 28 ILE HA . 18946 1 279 . 1 1 28 28 ILE HB H 1 1.746 0.02 . 1 . . . A 28 ILE HB . 18946 1 280 . 1 1 28 28 ILE HG12 H 1 1.380 0.02 . 2 . . . A 28 ILE HG12 . 18946 1 281 . 1 1 28 28 ILE HG13 H 1 1.059 0.02 . 2 . . . A 28 ILE HG13 . 18946 1 282 . 1 1 28 28 ILE HG21 H 1 0.805 0.02 . 1 . . . A 28 ILE HG21 . 18946 1 283 . 1 1 28 28 ILE HG22 H 1 0.805 0.02 . 1 . . . A 28 ILE HG22 . 18946 1 284 . 1 1 28 28 ILE HG23 H 1 0.805 0.02 . 1 . . . A 28 ILE HG23 . 18946 1 285 . 1 1 28 28 ILE HD11 H 1 0.809 0.02 . 1 . . . A 28 ILE HD11 . 18946 1 286 . 1 1 28 28 ILE HD12 H 1 0.809 0.02 . 1 . . . A 28 ILE HD12 . 18946 1 287 . 1 1 28 28 ILE HD13 H 1 0.809 0.02 . 1 . . . A 28 ILE HD13 . 18946 1 288 . 1 1 28 28 ILE C C 13 176.495 0.30 . 1 . . . A 28 ILE C . 18946 1 289 . 1 1 28 28 ILE CA C 13 61.032 0.30 . 1 . . . A 28 ILE CA . 18946 1 290 . 1 1 28 28 ILE CB C 13 39.272 0.30 . 1 . . . A 28 ILE CB . 18946 1 291 . 1 1 28 28 ILE CG1 C 13 27.295 0.30 . 1 . . . A 28 ILE CG1 . 18946 1 292 . 1 1 28 28 ILE CG2 C 13 17.426 0.30 . 1 . . . A 28 ILE CG2 . 18946 1 293 . 1 1 28 28 ILE CD1 C 13 13.011 0.30 . 1 . . . A 28 ILE CD1 . 18946 1 294 . 1 1 28 28 ILE N N 15 123.891 0.20 . 1 . . . A 28 ILE N . 18946 1 295 . 1 1 29 29 GLY H H 1 8.076 0.02 . 1 . . . A 29 GLY H . 18946 1 296 . 1 1 29 29 GLY HA2 H 1 4.077 0.02 . 2 . . . A 29 GLY HA2 . 18946 1 297 . 1 1 29 29 GLY HA3 H 1 3.806 0.02 . 2 . . . A 29 GLY HA3 . 18946 1 298 . 1 1 29 29 GLY C C 13 174.844 0.30 . 1 . . . A 29 GLY C . 18946 1 299 . 1 1 29 29 GLY CA C 13 44.848 0.30 . 1 . . . A 29 GLY CA . 18946 1 300 . 1 1 29 29 GLY N N 15 113.320 0.20 . 1 . . . A 29 GLY N . 18946 1 301 . 1 1 30 30 GLY H H 1 8.273 0.02 . 1 . . . A 30 GLY H . 18946 1 302 . 1 1 30 30 GLY HA2 H 1 3.925 0.02 . 1 . . . A 30 GLY HA2 . 18946 1 303 . 1 1 30 30 GLY HA3 H 1 3.925 0.02 . 1 . . . A 30 GLY HA3 . 18946 1 304 . 1 1 30 30 GLY C C 13 174.844 0.30 . 1 . . . A 30 GLY C . 18946 1 305 . 1 1 30 30 GLY CA C 13 46.215 0.30 . 1 . . . A 30 GLY CA . 18946 1 306 . 1 1 30 30 GLY N N 15 108.103 0.20 . 1 . . . A 30 GLY N . 18946 1 307 . 1 1 31 31 GLY H H 1 8.457 0.02 . 1 . . . A 31 GLY H . 18946 1 308 . 1 1 31 31 GLY HA2 H 1 4.058 0.02 . 2 . . . A 31 GLY HA2 . 18946 1 309 . 1 1 31 31 GLY HA3 H 1 3.854 0.02 . 2 . . . A 31 GLY HA3 . 18946 1 310 . 1 1 31 31 GLY C C 13 174.574 0.30 . 1 . . . A 31 GLY C . 18946 1 311 . 1 1 31 31 GLY CA C 13 45.668 0.30 . 1 . . . A 31 GLY CA . 18946 1 312 . 1 1 31 31 GLY N N 15 109.158 0.20 . 1 . . . A 31 GLY N . 18946 1 313 . 1 1 32 32 CYS H H 1 7.708 0.02 . 1 . . . A 32 CYS H . 18946 1 314 . 1 1 32 32 CYS HA H 1 4.679 0.02 . 1 . . . A 32 CYS HA . 18946 1 315 . 1 1 32 32 CYS HB2 H 1 3.132 0.02 . 2 . . . A 32 CYS HB2 . 18946 1 316 . 1 1 32 32 CYS HB3 H 1 2.932 0.02 . 2 . . . A 32 CYS HB3 . 18946 1 317 . 1 1 32 32 CYS C C 13 174.111 0.30 . 1 . . . A 32 CYS C . 18946 1 318 . 1 1 32 32 CYS CA C 13 55.450 0.30 . 1 . . . A 32 CYS CA . 18946 1 319 . 1 1 32 32 CYS CB C 13 42.316 0.30 . 1 . . . A 32 CYS CB . 18946 1 320 . 1 1 32 32 CYS N N 15 118.532 0.20 . 1 . . . A 32 CYS N . 18946 1 321 . 1 1 33 33 SER H H 1 8.559 0.02 . 1 . . . A 33 SER H . 18946 1 322 . 1 1 33 33 SER HA H 1 4.628 0.02 . 1 . . . A 33 SER HA . 18946 1 323 . 1 1 33 33 SER HB2 H 1 3.906 0.02 . 2 . . . A 33 SER HB2 . 18946 1 324 . 1 1 33 33 SER HB3 H 1 3.909 0.02 . 2 . . . A 33 SER HB3 . 18946 1 325 . 1 1 33 33 SER C C 13 174.102 0.30 . 1 . . . A 33 SER C . 18946 1 326 . 1 1 33 33 SER CA C 13 58.439 0.30 . 1 . . . A 33 SER CA . 18946 1 327 . 1 1 33 33 SER CB C 13 64.587 0.30 . 1 . . . A 33 SER CB . 18946 1 328 . 1 1 33 33 SER N N 15 117.584 0.20 . 1 . . . A 33 SER N . 18946 1 329 . 1 1 34 34 LYS H H 1 8.492 0.02 . 1 . . . A 34 LYS H . 18946 1 330 . 1 1 34 34 LYS HA H 1 4.162 0.02 . 1 . . . A 34 LYS HA . 18946 1 331 . 1 1 34 34 LYS HB2 H 1 1.693 0.02 . 2 . . . A 34 LYS HB2 . 18946 1 332 . 1 1 34 34 LYS HB3 H 1 1.391 0.02 . 2 . . . A 34 LYS HB3 . 18946 1 333 . 1 1 34 34 LYS HG2 H 1 0.958 0.02 . 2 . . . A 34 LYS HG2 . 18946 1 334 . 1 1 34 34 LYS HG3 H 1 0.253 0.02 . 2 . . . A 34 LYS HG3 . 18946 1 335 . 1 1 34 34 LYS HD2 H 1 1.240 0.02 . 1 . . . A 34 LYS HD2 . 18946 1 336 . 1 1 34 34 LYS HE2 H 1 2.597 0.02 . 2 . . . A 34 LYS HE2 . 18946 1 337 . 1 1 34 34 LYS HE3 H 1 2.563 0.02 . 2 . . . A 34 LYS HE3 . 18946 1 338 . 1 1 34 34 LYS C C 13 177.288 0.30 . 1 . . . A 34 LYS C . 18946 1 339 . 1 1 34 34 LYS CA C 13 57.327 0.30 . 1 . . . A 34 LYS CA . 18946 1 340 . 1 1 34 34 LYS CB C 13 34.576 0.30 . 1 . . . A 34 LYS CB . 18946 1 341 . 1 1 34 34 LYS CG C 13 25.839 0.30 . 1 . . . A 34 LYS CG . 18946 1 342 . 1 1 34 34 LYS CD C 13 29.842 0.30 . 1 . . . A 34 LYS CD . 18946 1 343 . 1 1 34 34 LYS CE C 13 41.805 0.30 . 1 . . . A 34 LYS CE . 18946 1 344 . 1 1 34 34 LYS N N 15 123.934 0.20 . 1 . . . A 34 LYS N . 18946 1 345 . 1 1 35 35 THR H H 1 8.621 0.02 . 1 . . . A 35 THR H . 18946 1 346 . 1 1 35 35 THR HA H 1 5.011 0.02 . 1 . . . A 35 THR HA . 18946 1 347 . 1 1 35 35 THR HB H 1 3.667 0.02 . 1 . . . A 35 THR HB . 18946 1 348 . 1 1 35 35 THR HG1 H 1 5.458 0.02 . 1 . . . A 35 THR HG1 . 18946 1 349 . 1 1 35 35 THR HG21 H 1 0.953 0.02 . 1 . . . A 35 THR HG21 . 18946 1 350 . 1 1 35 35 THR HG22 H 1 0.953 0.02 . 1 . . . A 35 THR HG22 . 18946 1 351 . 1 1 35 35 THR HG23 H 1 0.953 0.02 . 1 . . . A 35 THR HG23 . 18946 1 352 . 1 1 35 35 THR C C 13 175.979 0.30 . 1 . . . A 35 THR C . 18946 1 353 . 1 1 35 35 THR CA C 13 60.111 0.30 . 1 . . . A 35 THR CA . 18946 1 354 . 1 1 35 35 THR CB C 13 74.169 0.30 . 1 . . . A 35 THR CB . 18946 1 355 . 1 1 35 35 THR CG2 C 13 22.383 0.30 . 1 . . . A 35 THR CG2 . 18946 1 356 . 1 1 35 35 THR N N 15 111.686 0.20 . 1 . . . A 35 THR N . 18946 1 357 . 1 1 36 36 CYS H H 1 8.851 0.02 . 1 . . . A 36 CYS H . 18946 1 358 . 1 1 36 36 CYS HA H 1 5.365 0.02 . 1 . . . A 36 CYS HA . 18946 1 359 . 1 1 36 36 CYS HB2 H 1 2.856 0.02 . 1 . . . A 36 CYS HB2 . 18946 1 360 . 1 1 36 36 CYS HB3 H 1 3.415 0.02 . 1 . . . A 36 CYS HB3 . 18946 1 361 . 1 1 36 36 CYS C C 13 177.591 0.30 . 1 . . . A 36 CYS C . 18946 1 362 . 1 1 36 36 CYS CA C 13 53.590 0.30 . 1 . . . A 36 CYS CA . 18946 1 363 . 1 1 36 36 CYS CB C 13 36.183 0.30 . 1 . . . A 36 CYS CB . 18946 1 364 . 1 1 36 36 CYS N N 15 120.499 0.20 . 1 . . . A 36 CYS N . 18946 1 365 . 1 1 37 37 GLY H H 1 8.725 0.02 . 1 . . . A 37 GLY H . 18946 1 366 . 1 1 37 37 GLY HA2 H 1 4.151 0.02 . 1 . . . A 37 GLY HA2 . 18946 1 367 . 1 1 37 37 GLY HA3 H 1 3.811 0.02 . 1 . . . A 37 GLY HA3 . 18946 1 368 . 1 1 37 37 GLY C C 13 171.490 0.30 . 1 . . . A 37 GLY C . 18946 1 369 . 1 1 37 37 GLY CA C 13 45.204 0.30 . 1 . . . A 37 GLY CA . 18946 1 370 . 1 1 37 37 GLY N N 15 112.382 0.20 . 1 . . . A 37 GLY N . 18946 1 371 . 1 1 38 38 TYR H H 1 7.793 0.02 . 1 . . . A 38 TYR H . 18946 1 372 . 1 1 38 38 TYR HA H 1 4.341 0.02 . 1 . . . A 38 TYR HA . 18946 1 373 . 1 1 38 38 TYR HB2 H 1 3.029 0.02 . 2 . . . A 38 TYR HB2 . 18946 1 374 . 1 1 38 38 TYR HB3 H 1 2.852 0.02 . 2 . . . A 38 TYR HB3 . 18946 1 375 . 1 1 38 38 TYR HD1 H 1 7.122 0.02 . 1 . . . A 38 TYR HD1 . 18946 1 376 . 1 1 38 38 TYR HD2 H 1 7.122 0.02 . 1 . . . A 38 TYR HD2 . 18946 1 377 . 1 1 38 38 TYR HE1 H 1 6.785 0.02 . 1 . . . A 38 TYR HE1 . 18946 1 378 . 1 1 38 38 TYR HE2 H 1 6.785 0.02 . 1 . . . A 38 TYR HE2 . 18946 1 379 . 1 1 38 38 TYR CA C 13 59.614 0.30 . 1 . . . A 38 TYR CA . 18946 1 380 . 1 1 38 38 TYR CB C 13 40.200 0.30 . 1 . . . A 38 TYR CB . 18946 1 381 . 1 1 38 38 TYR CD1 C 13 133.281 0.30 . 1 . . . A 38 TYR CD1 . 18946 1 382 . 1 1 38 38 TYR CD2 C 13 133.281 0.30 . 1 . . . A 38 TYR CD2 . 18946 1 383 . 1 1 38 38 TYR CE1 C 13 118.281 0.30 . 1 . . . A 38 TYR CE1 . 18946 1 384 . 1 1 38 38 TYR CE2 C 13 118.281 0.30 . 1 . . . A 38 TYR CE2 . 18946 1 385 . 1 1 38 38 TYR N N 15 123.747 0.20 . 1 . . . A 38 TYR N . 18946 1 stop_ save_