################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30538 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_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 '2D 1H-15N HSQC' . . . 30538 1 2 '3D CBCA(CO)NH' . . . 30538 1 3 '3D HNCO' . . . 30538 1 4 '3D HNCACB' . . . 30538 1 5 '3D HBHA(CO)NH' . . . 30538 1 6 '3D 1H-15N NOESY' . . . 30538 1 7 '3D 1H-13C NOESY aliphatic' . . . 30538 1 8 '3D 1H-13C NOESY aromatic' . . . 30538 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLY HA2 H 1 3.800 0.040 . 2 . . . . A 1 GLY HA2 . 30538 1 2 . 1 . 1 1 1 GLY C C 13 169.683 0.500 . 1 . . . . A 1 GLY C . 30538 1 3 . 1 . 1 1 1 GLY CA C 13 43.310 0.500 . 1 . . . . A 1 GLY CA . 30538 1 4 . 1 . 1 2 2 ASP H H 1 8.600 0.040 . 1 . . . . A 2 ASP H . 30538 1 5 . 1 . 1 2 2 ASP HA H 1 4.651 0.040 . 1 . . . . A 2 ASP HA . 30538 1 6 . 1 . 1 2 2 ASP HB2 H 1 2.461 0.040 . 2 . . . . A 2 ASP HB2 . 30538 1 7 . 1 . 1 2 2 ASP HB3 H 1 2.461 0.040 . 2 . . . . A 2 ASP HB3 . 30538 1 8 . 1 . 1 2 2 ASP C C 13 175.631 0.500 . 1 . . . . A 2 ASP C . 30538 1 9 . 1 . 1 2 2 ASP CA C 13 54.364 0.500 . 1 . . . . A 2 ASP CA . 30538 1 10 . 1 . 1 2 2 ASP CB C 13 42.242 0.500 . 1 . . . . A 2 ASP CB . 30538 1 11 . 1 . 1 2 2 ASP N N 15 120.424 0.500 . 1 . . . . A 2 ASP N . 30538 1 12 . 1 . 1 3 3 ILE H H 1 8.909 0.040 . 1 . . . . A 3 ILE H . 30538 1 13 . 1 . 1 3 3 ILE HA H 1 4.125 0.040 . 1 . . . . A 3 ILE HA . 30538 1 14 . 1 . 1 3 3 ILE HB H 1 1.535 0.040 . 1 . . . . A 3 ILE HB . 30538 1 15 . 1 . 1 3 3 ILE HG12 H 1 1.498 0.040 . 2 . . . . A 3 ILE HG12 . 30538 1 16 . 1 . 1 3 3 ILE HG13 H 1 1.099 0.040 . 2 . . . . A 3 ILE HG13 . 30538 1 17 . 1 . 1 3 3 ILE HG21 H 1 0.854 0.040 . 1 . . . . A 3 ILE HG21 . 30538 1 18 . 1 . 1 3 3 ILE HG22 H 1 0.854 0.040 . 1 . . . . A 3 ILE HG22 . 30538 1 19 . 1 . 1 3 3 ILE HG23 H 1 0.854 0.040 . 1 . . . . A 3 ILE HG23 . 30538 1 20 . 1 . 1 3 3 ILE HD11 H 1 0.769 0.040 . 1 . . . . A 3 ILE HD11 . 30538 1 21 . 1 . 1 3 3 ILE HD12 H 1 0.769 0.040 . 1 . . . . A 3 ILE HD12 . 30538 1 22 . 1 . 1 3 3 ILE HD13 H 1 0.769 0.040 . 1 . . . . A 3 ILE HD13 . 30538 1 23 . 1 . 1 3 3 ILE C C 13 175.309 0.500 . 1 . . . . A 3 ILE C . 30538 1 24 . 1 . 1 3 3 ILE CA C 13 60.297 0.500 . 1 . . . . A 3 ILE CA . 30538 1 25 . 1 . 1 3 3 ILE CB C 13 39.468 0.500 . 1 . . . . A 3 ILE CB . 30538 1 26 . 1 . 1 3 3 ILE CG1 C 13 26.650 0.500 . 1 . . . . A 3 ILE CG1 . 30538 1 27 . 1 . 1 3 3 ILE CG2 C 13 18.184 0.500 . 1 . . . . A 3 ILE CG2 . 30538 1 28 . 1 . 1 3 3 ILE CD1 C 13 13.190 0.500 . 1 . . . . A 3 ILE CD1 . 30538 1 29 . 1 . 1 3 3 ILE N N 15 124.080 0.500 . 1 . . . . A 3 ILE N . 30538 1 30 . 1 . 1 4 4 LYS H H 1 8.397 0.040 . 1 . . . . A 4 LYS H . 30538 1 31 . 1 . 1 4 4 LYS HA H 1 4.649 0.040 . 1 . . . . A 4 LYS HA . 30538 1 32 . 1 . 1 4 4 LYS HB2 H 1 1.758 0.040 . 2 . . . . A 4 LYS HB2 . 30538 1 33 . 1 . 1 4 4 LYS HB3 H 1 1.696 0.040 . 2 . . . . A 4 LYS HB3 . 30538 1 34 . 1 . 1 4 4 LYS C C 13 175.465 0.500 . 1 . . . . A 4 LYS C . 30538 1 35 . 1 . 1 4 4 LYS CA C 13 56.591 0.500 . 1 . . . . A 4 LYS CA . 30538 1 36 . 1 . 1 4 4 LYS CB C 13 33.289 0.500 . 1 . . . . A 4 LYS CB . 30538 1 37 . 1 . 1 4 4 LYS N N 15 127.179 0.500 . 1 . . . . A 4 LYS N . 30538 1 38 . 1 . 1 5 5 CYS H H 1 8.013 0.040 . 1 . . . . A 5 CYS H . 30538 1 39 . 1 . 1 5 5 CYS HA H 1 4.802 0.040 . 1 . . . . A 5 CYS HA . 30538 1 40 . 1 . 1 5 5 CYS HB2 H 1 3.124 0.040 . 2 . . . . A 5 CYS HB2 . 30538 1 41 . 1 . 1 5 5 CYS HB3 H 1 2.918 0.040 . 2 . . . . A 5 CYS HB3 . 30538 1 42 . 1 . 1 5 5 CYS C C 13 172.985 0.500 . 1 . . . . A 5 CYS C . 30538 1 43 . 1 . 1 5 5 CYS CA C 13 53.869 0.500 . 1 . . . . A 5 CYS CA . 30538 1 44 . 1 . 1 5 5 CYS CB C 13 46.640 0.500 . 1 . . . . A 5 CYS CB . 30538 1 45 . 1 . 1 5 5 CYS N N 15 115.248 0.500 . 1 . . . . A 5 CYS N . 30538 1 46 . 1 . 1 6 6 SER H H 1 9.041 0.040 . 1 . . . . A 6 SER H . 30538 1 47 . 1 . 1 6 6 SER HA H 1 4.552 0.040 . 1 . . . . A 6 SER HA . 30538 1 48 . 1 . 1 6 6 SER HB2 H 1 3.901 0.040 . 2 . . . . A 6 SER HB2 . 30538 1 49 . 1 . 1 6 6 SER HB3 H 1 3.758 0.040 . 2 . . . . A 6 SER HB3 . 30538 1 50 . 1 . 1 6 6 SER C C 13 174.121 0.500 . 1 . . . . A 6 SER C . 30538 1 51 . 1 . 1 6 6 SER CA C 13 57.813 0.500 . 1 . . . . A 6 SER CA . 30538 1 52 . 1 . 1 6 6 SER CB C 13 64.105 0.500 . 1 . . . . A 6 SER CB . 30538 1 53 . 1 . 1 6 6 SER N N 15 113.812 0.500 . 1 . . . . A 6 SER N . 30538 1 54 . 1 . 1 7 7 GLY H H 1 7.534 0.040 . 1 . . . . A 7 GLY H . 30538 1 55 . 1 . 1 7 7 GLY HA2 H 1 4.283 0.040 . 2 . . . . A 7 GLY HA2 . 30538 1 56 . 1 . 1 7 7 GLY HA3 H 1 3.926 0.040 . 2 . . . . A 7 GLY HA3 . 30538 1 57 . 1 . 1 7 7 GLY C C 13 173.673 0.500 . 1 . . . . A 7 GLY C . 30538 1 58 . 1 . 1 7 7 GLY CA C 13 44.559 0.500 . 1 . . . . A 7 GLY CA . 30538 1 59 . 1 . 1 7 7 GLY N N 15 110.373 0.500 . 1 . . . . A 7 GLY N . 30538 1 60 . 1 . 1 8 8 THR H H 1 8.843 0.040 . 1 . . . . A 8 THR H . 30538 1 61 . 1 . 1 8 8 THR HA H 1 3.549 0.040 . 1 . . . . A 8 THR HA . 30538 1 62 . 1 . 1 8 8 THR HB H 1 4.087 0.040 . 1 . . . . A 8 THR HB . 30538 1 63 . 1 . 1 8 8 THR HG21 H 1 1.300 0.040 . 1 . . . . A 8 THR HG21 . 30538 1 64 . 1 . 1 8 8 THR HG22 H 1 1.300 0.040 . 1 . . . . A 8 THR HG22 . 30538 1 65 . 1 . 1 8 8 THR HG23 H 1 1.300 0.040 . 1 . . . . A 8 THR HG23 . 30538 1 66 . 1 . 1 8 8 THR C C 13 175.135 0.500 . 1 . . . . A 8 THR C . 30538 1 67 . 1 . 1 8 8 THR CA C 13 67.341 0.500 . 1 . . . . A 8 THR CA . 30538 1 68 . 1 . 1 8 8 THR CB C 13 69.115 0.500 . 1 . . . . A 8 THR CB . 30538 1 69 . 1 . 1 8 8 THR CG2 C 13 24.297 0.500 . 1 . . . . A 8 THR CG2 . 30538 1 70 . 1 . 1 8 8 THR N N 15 120.646 0.500 . 1 . . . . A 8 THR N . 30538 1 71 . 1 . 1 9 9 ARG H H 1 8.461 0.040 . 1 . . . . A 9 ARG H . 30538 1 72 . 1 . 1 9 9 ARG HA H 1 2.269 0.040 . 1 . . . . A 9 ARG HA . 30538 1 73 . 1 . 1 9 9 ARG HB2 H 1 1.233 0.040 . 2 . . . . A 9 ARG HB2 . 30538 1 74 . 1 . 1 9 9 ARG HB3 H 1 1.176 0.040 . 2 . . . . A 9 ARG HB3 . 30538 1 75 . 1 . 1 9 9 ARG HG2 H 1 0.959 0.040 . 2 . . . . A 9 ARG HG2 . 30538 1 76 . 1 . 1 9 9 ARG HG3 H 1 0.854 0.040 . 2 . . . . A 9 ARG HG3 . 30538 1 77 . 1 . 1 9 9 ARG HD2 H 1 2.611 0.040 . 2 . . . . A 9 ARG HD2 . 30538 1 78 . 1 . 1 9 9 ARG HD3 H 1 2.611 0.040 . 2 . . . . A 9 ARG HD3 . 30538 1 79 . 1 . 1 9 9 ARG C C 13 178.131 0.500 . 1 . . . . A 9 ARG C . 30538 1 80 . 1 . 1 9 9 ARG CA C 13 57.885 0.500 . 1 . . . . A 9 ARG CA . 30538 1 81 . 1 . 1 9 9 ARG CB C 13 28.690 0.500 . 1 . . . . A 9 ARG CB . 30538 1 82 . 1 . 1 9 9 ARG CG C 13 26.868 0.500 . 1 . . . . A 9 ARG CG . 30538 1 83 . 1 . 1 9 9 ARG CD C 13 42.629 0.500 . 1 . . . . A 9 ARG CD . 30538 1 84 . 1 . 1 9 9 ARG N N 15 119.316 0.500 . 1 . . . . A 9 ARG N . 30538 1 85 . 1 . 1 10 10 GLN H H 1 7.154 0.040 . 1 . . . . A 10 GLN H . 30538 1 86 . 1 . 1 10 10 GLN HA H 1 4.027 0.040 . 1 . . . . A 10 GLN HA . 30538 1 87 . 1 . 1 10 10 GLN HB2 H 1 2.145 0.040 . 2 . . . . A 10 GLN HB2 . 30538 1 88 . 1 . 1 10 10 GLN HB3 H 1 2.145 0.040 . 2 . . . . A 10 GLN HB3 . 30538 1 89 . 1 . 1 10 10 GLN HG2 H 1 2.408 0.040 . 2 . . . . A 10 GLN HG2 . 30538 1 90 . 1 . 1 10 10 GLN HG3 H 1 2.279 0.040 . 2 . . . . A 10 GLN HG3 . 30538 1 91 . 1 . 1 10 10 GLN HE21 H 1 7.532 0.040 . 2 . . . . A 10 GLN HE21 . 30538 1 92 . 1 . 1 10 10 GLN HE22 H 1 6.869 0.040 . 2 . . . . A 10 GLN HE22 . 30538 1 93 . 1 . 1 10 10 GLN C C 13 176.738 0.500 . 1 . . . . A 10 GLN C . 30538 1 94 . 1 . 1 10 10 GLN CA C 13 57.570 0.500 . 1 . . . . A 10 GLN CA . 30538 1 95 . 1 . 1 10 10 GLN CB C 13 28.996 0.500 . 1 . . . . A 10 GLN CB . 30538 1 96 . 1 . 1 10 10 GLN CG C 13 34.617 0.500 . 1 . . . . A 10 GLN CG . 30538 1 97 . 1 . 1 10 10 GLN N N 15 115.938 0.500 . 1 . . . . A 10 GLN N . 30538 1 98 . 1 . 1 10 10 GLN NE2 N 15 112.277 0.500 . 1 . . . . A 10 GLN NE2 . 30538 1 99 . 1 . 1 11 11 CYS H H 1 8.144 0.040 . 1 . . . . A 11 CYS H . 30538 1 100 . 1 . 1 11 11 CYS HA H 1 4.676 0.040 . 1 . . . . A 11 CYS HA . 30538 1 101 . 1 . 1 11 11 CYS HB2 H 1 3.249 0.040 . 2 . . . . A 11 CYS HB2 . 30538 1 102 . 1 . 1 11 11 CYS HB3 H 1 3.151 0.040 . 2 . . . . A 11 CYS HB3 . 30538 1 103 . 1 . 1 11 11 CYS C C 13 175.663 0.500 . 1 . . . . A 11 CYS C . 30538 1 104 . 1 . 1 11 11 CYS CA C 13 54.413 0.500 . 1 . . . . A 11 CYS CA . 30538 1 105 . 1 . 1 11 11 CYS CB C 13 38.387 0.500 . 1 . . . . A 11 CYS CB . 30538 1 106 . 1 . 1 11 11 CYS N N 15 114.438 0.500 . 1 . . . . A 11 CYS N . 30538 1 107 . 1 . 1 12 12 TRP H H 1 7.293 0.040 . 1 . . . . A 12 TRP H . 30538 1 108 . 1 . 1 12 12 TRP HA H 1 4.536 0.040 . 1 . . . . A 12 TRP HA . 30538 1 109 . 1 . 1 12 12 TRP HB2 H 1 3.303 0.040 . 2 . . . . A 12 TRP HB2 . 30538 1 110 . 1 . 1 12 12 TRP HB3 H 1 3.139 0.040 . 2 . . . . A 12 TRP HB3 . 30538 1 111 . 1 . 1 12 12 TRP HD1 H 1 7.031 0.040 . 1 . . . . A 12 TRP HD1 . 30538 1 112 . 1 . 1 12 12 TRP HE1 H 1 9.856 0.040 . 1 . . . . A 12 TRP HE1 . 30538 1 113 . 1 . 1 12 12 TRP HE3 H 1 7.589 0.040 . 1 . . . . A 12 TRP HE3 . 30538 1 114 . 1 . 1 12 12 TRP HZ2 H 1 7.419 0.040 . 1 . . . . A 12 TRP HZ2 . 30538 1 115 . 1 . 1 12 12 TRP HZ3 H 1 7.119 0.040 . 1 . . . . A 12 TRP HZ3 . 30538 1 116 . 1 . 1 12 12 TRP HH2 H 1 7.191 0.040 . 1 . . . . A 12 TRP HH2 . 30538 1 117 . 1 . 1 12 12 TRP C C 13 177.583 0.500 . 1 . . . . A 12 TRP C . 30538 1 118 . 1 . 1 12 12 TRP CA C 13 59.944 0.500 . 1 . . . . A 12 TRP CA . 30538 1 119 . 1 . 1 12 12 TRP CB C 13 29.057 0.500 . 1 . . . . A 12 TRP CB . 30538 1 120 . 1 . 1 12 12 TRP CD1 C 13 124.992 0.500 . 1 . . . . A 12 TRP CD1 . 30538 1 121 . 1 . 1 12 12 TRP CE3 C 13 120.812 0.500 . 1 . . . . A 12 TRP CE3 . 30538 1 122 . 1 . 1 12 12 TRP CZ2 C 13 114.272 0.500 . 1 . . . . A 12 TRP CZ2 . 30538 1 123 . 1 . 1 12 12 TRP CZ3 C 13 122.085 0.500 . 1 . . . . A 12 TRP CZ3 . 30538 1 124 . 1 . 1 12 12 TRP CH2 C 13 124.769 0.500 . 1 . . . . A 12 TRP CH2 . 30538 1 125 . 1 . 1 12 12 TRP N N 15 122.082 0.500 . 1 . . . . A 12 TRP N . 30538 1 126 . 1 . 1 12 12 TRP NE1 N 15 127.645 0.500 . 1 . . . . A 12 TRP NE1 . 30538 1 127 . 1 . 1 13 13 GLY H H 1 9.080 0.040 . 1 . . . . A 13 GLY H . 30538 1 128 . 1 . 1 13 13 GLY HA2 H 1 4.025 0.040 . 2 . . . . A 13 GLY HA2 . 30538 1 129 . 1 . 1 13 13 GLY HA3 H 1 3.907 0.040 . 2 . . . . A 13 GLY HA3 . 30538 1 130 . 1 . 1 13 13 GLY CA C 13 47.752 0.500 . 1 . . . . A 13 GLY CA . 30538 1 131 . 1 . 1 13 13 GLY N N 15 105.099 0.500 . 1 . . . . A 13 GLY N . 30538 1 132 . 1 . 1 14 14 PRO HA H 1 4.256 0.040 . 1 . . . . A 14 PRO HA . 30538 1 133 . 1 . 1 14 14 PRO HB2 H 1 1.826 0.040 . 2 . . . . A 14 PRO HB2 . 30538 1 134 . 1 . 1 14 14 PRO HB3 H 1 2.436 0.040 . 2 . . . . A 14 PRO HB3 . 30538 1 135 . 1 . 1 14 14 PRO HG2 H 1 2.043 0.040 . 2 . . . . A 14 PRO HG2 . 30538 1 136 . 1 . 1 14 14 PRO HG3 H 1 2.248 0.040 . 2 . . . . A 14 PRO HG3 . 30538 1 137 . 1 . 1 14 14 PRO HD2 H 1 3.720 0.040 . 2 . . . . A 14 PRO HD2 . 30538 1 138 . 1 . 1 14 14 PRO HD3 H 1 3.613 0.040 . 2 . . . . A 14 PRO HD3 . 30538 1 139 . 1 . 1 14 14 PRO C C 13 180.237 0.500 . 1 . . . . A 14 PRO C . 30538 1 140 . 1 . 1 14 14 PRO CA C 13 65.461 0.500 . 1 . . . . A 14 PRO CA . 30538 1 141 . 1 . 1 14 14 PRO CB C 13 32.685 0.500 . 1 . . . . A 14 PRO CB . 30538 1 142 . 1 . 1 14 14 PRO CG C 13 27.950 0.500 . 1 . . . . A 14 PRO CG . 30538 1 143 . 1 . 1 14 14 PRO CD C 13 51.257 0.500 . 1 . . . . A 14 PRO CD . 30538 1 144 . 1 . 1 15 15 CYS H H 1 8.478 0.040 . 1 . . . . A 15 CYS H . 30538 1 145 . 1 . 1 15 15 CYS HA H 1 4.750 0.040 . 1 . . . . A 15 CYS HA . 30538 1 146 . 1 . 1 15 15 CYS HB2 H 1 3.433 0.040 . 2 . . . . A 15 CYS HB2 . 30538 1 147 . 1 . 1 15 15 CYS HB3 H 1 2.909 0.040 . 2 . . . . A 15 CYS HB3 . 30538 1 148 . 1 . 1 15 15 CYS C C 13 178.283 0.500 . 1 . . . . A 15 CYS C . 30538 1 149 . 1 . 1 15 15 CYS CA C 13 56.068 0.500 . 1 . . . . A 15 CYS CA . 30538 1 150 . 1 . 1 15 15 CYS CB C 13 33.930 0.500 . 1 . . . . A 15 CYS CB . 30538 1 151 . 1 . 1 15 15 CYS N N 15 115.051 0.500 . 1 . . . . A 15 CYS N . 30538 1 152 . 1 . 1 16 16 LYS H H 1 8.731 0.040 . 1 . . . . A 16 LYS H . 30538 1 153 . 1 . 1 16 16 LYS HA H 1 3.715 0.040 . 1 . . . . A 16 LYS HA . 30538 1 154 . 1 . 1 16 16 LYS HB2 H 1 1.987 0.040 . 2 . . . . A 16 LYS HB2 . 30538 1 155 . 1 . 1 16 16 LYS HB3 H 1 1.592 0.040 . 2 . . . . A 16 LYS HB3 . 30538 1 156 . 1 . 1 16 16 LYS HG2 H 1 0.934 0.040 . 2 . . . . A 16 LYS HG2 . 30538 1 157 . 1 . 1 16 16 LYS HG3 H 1 1.202 0.040 . 2 . . . . A 16 LYS HG3 . 30538 1 158 . 1 . 1 16 16 LYS HD2 H 1 1.538 0.040 . 2 . . . . A 16 LYS HD2 . 30538 1 159 . 1 . 1 16 16 LYS HD3 H 1 1.438 0.040 . 2 . . . . A 16 LYS HD3 . 30538 1 160 . 1 . 1 16 16 LYS HE2 H 1 2.889 0.040 . 2 . . . . A 16 LYS HE2 . 30538 1 161 . 1 . 1 16 16 LYS HE3 H 1 2.889 0.040 . 2 . . . . A 16 LYS HE3 . 30538 1 162 . 1 . 1 16 16 LYS C C 13 179.846 0.500 . 1 . . . . A 16 LYS C . 30538 1 163 . 1 . 1 16 16 LYS CA C 13 59.755 0.500 . 1 . . . . A 16 LYS CA . 30538 1 164 . 1 . 1 16 16 LYS CB C 13 31.886 0.500 . 1 . . . . A 16 LYS CB . 30538 1 165 . 1 . 1 16 16 LYS CG C 13 25.259 0.500 . 1 . . . . A 16 LYS CG . 30538 1 166 . 1 . 1 16 16 LYS CD C 13 29.595 0.500 . 1 . . . . A 16 LYS CD . 30538 1 167 . 1 . 1 16 16 LYS CE C 13 42.236 0.500 . 1 . . . . A 16 LYS CE . 30538 1 168 . 1 . 1 16 16 LYS N N 15 128.572 0.500 . 1 . . . . A 16 LYS N . 30538 1 169 . 1 . 1 17 17 LYS H H 1 8.152 0.040 . 1 . . . . A 17 LYS H . 30538 1 170 . 1 . 1 17 17 LYS HA H 1 3.974 0.040 . 1 . . . . A 17 LYS HA . 30538 1 171 . 1 . 1 17 17 LYS HB2 H 1 1.891 0.040 . 2 . . . . A 17 LYS HB2 . 30538 1 172 . 1 . 1 17 17 LYS HB3 H 1 1.986 0.040 . 2 . . . . A 17 LYS HB3 . 30538 1 173 . 1 . 1 17 17 LYS HG2 H 1 1.487 0.040 . 2 . . . . A 17 LYS HG2 . 30538 1 174 . 1 . 1 17 17 LYS HG3 H 1 1.405 0.040 . 2 . . . . A 17 LYS HG3 . 30538 1 175 . 1 . 1 17 17 LYS HD2 H 1 1.643 0.040 . 2 . . . . A 17 LYS HD2 . 30538 1 176 . 1 . 1 17 17 LYS HE2 H 1 2.936 0.040 . 2 . . . . A 17 LYS HE2 . 30538 1 177 . 1 . 1 17 17 LYS C C 13 178.093 0.500 . 1 . . . . A 17 LYS C . 30538 1 178 . 1 . 1 17 17 LYS CA C 13 59.425 0.500 . 1 . . . . A 17 LYS CA . 30538 1 179 . 1 . 1 17 17 LYS CB C 13 31.915 0.500 . 1 . . . . A 17 LYS CB . 30538 1 180 . 1 . 1 17 17 LYS CG C 13 25.029 0.500 . 1 . . . . A 17 LYS CG . 30538 1 181 . 1 . 1 17 17 LYS CD C 13 29.110 0.500 . 1 . . . . A 17 LYS CD . 30538 1 182 . 1 . 1 17 17 LYS CE C 13 42.111 0.500 . 1 . . . . A 17 LYS CE . 30538 1 183 . 1 . 1 17 17 LYS N N 15 121.669 0.500 . 1 . . . . A 17 LYS N . 30538 1 184 . 1 . 1 18 18 GLN H H 1 7.594 0.040 . 1 . . . . A 18 GLN H . 30538 1 185 . 1 . 1 18 18 GLN HA H 1 4.230 0.040 . 1 . . . . A 18 GLN HA . 30538 1 186 . 1 . 1 18 18 GLN HB2 H 1 2.220 0.040 . 2 . . . . A 18 GLN HB2 . 30538 1 187 . 1 . 1 18 18 GLN HB3 H 1 2.220 0.040 . 2 . . . . A 18 GLN HB3 . 30538 1 188 . 1 . 1 18 18 GLN HG2 H 1 2.527 0.040 . 2 . . . . A 18 GLN HG2 . 30538 1 189 . 1 . 1 18 18 GLN HG3 H 1 2.323 0.040 . 2 . . . . A 18 GLN HG3 . 30538 1 190 . 1 . 1 18 18 GLN HE21 H 1 7.343 0.040 . 2 . . . . A 18 GLN HE21 . 30538 1 191 . 1 . 1 18 18 GLN HE22 H 1 6.693 0.040 . 2 . . . . A 18 GLN HE22 . 30538 1 192 . 1 . 1 18 18 GLN C C 13 177.890 0.500 . 1 . . . . A 18 GLN C . 30538 1 193 . 1 . 1 18 18 GLN CA C 13 58.671 0.500 . 1 . . . . A 18 GLN CA . 30538 1 194 . 1 . 1 18 18 GLN CB C 13 30.760 0.500 . 1 . . . . A 18 GLN CB . 30538 1 195 . 1 . 1 18 18 GLN CG C 13 34.102 0.500 . 1 . . . . A 18 GLN CG . 30538 1 196 . 1 . 1 18 18 GLN N N 15 114.543 0.500 . 1 . . . . A 18 GLN N . 30538 1 197 . 1 . 1 18 18 GLN NE2 N 15 110.565 0.500 . 1 . . . . A 18 GLN NE2 . 30538 1 198 . 1 . 1 19 19 THR H H 1 8.401 0.040 . 1 . . . . A 19 THR H . 30538 1 199 . 1 . 1 19 19 THR HA H 1 4.900 0.040 . 1 . . . . A 19 THR HA . 30538 1 200 . 1 . 1 19 19 THR HB H 1 4.509 0.040 . 1 . . . . A 19 THR HB . 30538 1 201 . 1 . 1 19 19 THR HG21 H 1 1.208 0.040 . 1 . . . . A 19 THR HG21 . 30538 1 202 . 1 . 1 19 19 THR HG22 H 1 1.208 0.040 . 1 . . . . A 19 THR HG22 . 30538 1 203 . 1 . 1 19 19 THR HG23 H 1 1.208 0.040 . 1 . . . . A 19 THR HG23 . 30538 1 204 . 1 . 1 19 19 THR C C 13 176.286 0.500 . 1 . . . . A 19 THR C . 30538 1 205 . 1 . 1 19 19 THR CA C 13 62.531 0.500 . 1 . . . . A 19 THR CA . 30538 1 206 . 1 . 1 19 19 THR CB C 13 73.411 0.500 . 1 . . . . A 19 THR CB . 30538 1 207 . 1 . 1 19 19 THR CG2 C 13 20.633 0.500 . 1 . . . . A 19 THR CG2 . 30538 1 208 . 1 . 1 19 19 THR N N 15 105.443 0.500 . 1 . . . . A 19 THR N . 30538 1 209 . 1 . 1 20 20 THR H H 1 8.535 0.040 . 1 . . . . A 20 THR H . 30538 1 210 . 1 . 1 20 20 THR HA H 1 4.299 0.040 . 1 . . . . A 20 THR HA . 30538 1 211 . 1 . 1 20 20 THR HB H 1 4.543 0.040 . 1 . . . . A 20 THR HB . 30538 1 212 . 1 . 1 20 20 THR HG21 H 1 1.224 0.040 . 1 . . . . A 20 THR HG21 . 30538 1 213 . 1 . 1 20 20 THR HG22 H 1 1.224 0.040 . 1 . . . . A 20 THR HG22 . 30538 1 214 . 1 . 1 20 20 THR HG23 H 1 1.224 0.040 . 1 . . . . A 20 THR HG23 . 30538 1 215 . 1 . 1 20 20 THR C C 13 173.253 0.500 . 1 . . . . A 20 THR C . 30538 1 216 . 1 . 1 20 20 THR CA C 13 67.329 0.500 . 1 . . . . A 20 THR CA . 30538 1 217 . 1 . 1 20 20 THR CB C 13 69.153 0.500 . 1 . . . . A 20 THR CB . 30538 1 218 . 1 . 1 20 20 THR CG2 C 13 21.728 0.500 . 1 . . . . A 20 THR CG2 . 30538 1 219 . 1 . 1 20 20 THR N N 15 116.430 0.500 . 1 . . . . A 20 THR N . 30538 1 220 . 1 . 1 21 21 CYS H H 1 8.500 0.040 . 1 . . . . A 21 CYS H . 30538 1 221 . 1 . 1 21 21 CYS HA H 1 4.986 0.040 . 1 . . . . A 21 CYS HA . 30538 1 222 . 1 . 1 21 21 CYS HB2 H 1 3.788 0.040 . 2 . . . . A 21 CYS HB2 . 30538 1 223 . 1 . 1 21 21 CYS HB3 H 1 2.084 0.040 . 2 . . . . A 21 CYS HB3 . 30538 1 224 . 1 . 1 21 21 CYS C C 13 173.828 0.500 . 1 . . . . A 21 CYS C . 30538 1 225 . 1 . 1 21 21 CYS CA C 13 56.809 0.500 . 1 . . . . A 21 CYS CA . 30538 1 226 . 1 . 1 21 21 CYS CB C 13 50.306 0.500 . 1 . . . . A 21 CYS CB . 30538 1 227 . 1 . 1 21 21 CYS N N 15 119.999 0.500 . 1 . . . . A 21 CYS N . 30538 1 228 . 1 . 1 22 22 THR H H 1 8.396 0.040 . 1 . . . . A 22 THR H . 30538 1 229 . 1 . 1 22 22 THR HA H 1 3.960 0.040 . 1 . . . . A 22 THR HA . 30538 1 230 . 1 . 1 22 22 THR HB H 1 3.745 0.040 . 1 . . . . A 22 THR HB . 30538 1 231 . 1 . 1 22 22 THR HG21 H 1 1.043 0.040 . 1 . . . . A 22 THR HG21 . 30538 1 232 . 1 . 1 22 22 THR HG22 H 1 1.043 0.040 . 1 . . . . A 22 THR HG22 . 30538 1 233 . 1 . 1 22 22 THR HG23 H 1 1.043 0.040 . 1 . . . . A 22 THR HG23 . 30538 1 234 . 1 . 1 22 22 THR C C 13 175.297 0.500 . 1 . . . . A 22 THR C . 30538 1 235 . 1 . 1 22 22 THR CA C 13 62.966 0.500 . 1 . . . . A 22 THR CA . 30538 1 236 . 1 . 1 22 22 THR CB C 13 69.540 0.500 . 1 . . . . A 22 THR CB . 30538 1 237 . 1 . 1 22 22 THR CG2 C 13 22.355 0.500 . 1 . . . . A 22 THR CG2 . 30538 1 238 . 1 . 1 22 22 THR N N 15 111.211 0.500 . 1 . . . . A 22 THR N . 30538 1 239 . 1 . 1 23 23 ASN H H 1 7.443 0.040 . 1 . . . . A 23 ASN H . 30538 1 240 . 1 . 1 23 23 ASN HA H 1 4.396 0.040 . 1 . . . . A 23 ASN HA . 30538 1 241 . 1 . 1 23 23 ASN HB2 H 1 3.033 0.040 . 2 . . . . A 23 ASN HB2 . 30538 1 242 . 1 . 1 23 23 ASN HB3 H 1 2.905 0.040 . 2 . . . . A 23 ASN HB3 . 30538 1 243 . 1 . 1 23 23 ASN HD21 H 1 6.977 0.040 . 2 . . . . A 23 ASN HD21 . 30538 1 244 . 1 . 1 23 23 ASN HD22 H 1 7.710 0.040 . 2 . . . . A 23 ASN HD22 . 30538 1 245 . 1 . 1 23 23 ASN C C 13 175.898 0.500 . 1 . . . . A 23 ASN C . 30538 1 246 . 1 . 1 23 23 ASN CA C 13 55.374 0.500 . 1 . . . . A 23 ASN CA . 30538 1 247 . 1 . 1 23 23 ASN CB C 13 37.655 0.500 . 1 . . . . A 23 ASN CB . 30538 1 248 . 1 . 1 23 23 ASN N N 15 116.204 0.500 . 1 . . . . A 23 ASN N . 30538 1 249 . 1 . 1 23 23 ASN ND2 N 15 113.718 0.500 . 1 . . . . A 23 ASN ND2 . 30538 1 250 . 1 . 1 24 24 SER H H 1 8.494 0.040 . 1 . . . . A 24 SER H . 30538 1 251 . 1 . 1 24 24 SER HA H 1 5.137 0.040 . 1 . . . . A 24 SER HA . 30538 1 252 . 1 . 1 24 24 SER HB2 H 1 3.379 0.040 . 2 . . . . A 24 SER HB2 . 30538 1 253 . 1 . 1 24 24 SER HB3 H 1 4.438 0.040 . 2 . . . . A 24 SER HB3 . 30538 1 254 . 1 . 1 24 24 SER C C 13 173.373 0.500 . 1 . . . . A 24 SER C . 30538 1 255 . 1 . 1 24 24 SER CA C 13 58.593 0.500 . 1 . . . . A 24 SER CA . 30538 1 256 . 1 . 1 24 24 SER CB C 13 67.783 0.500 . 1 . . . . A 24 SER CB . 30538 1 257 . 1 . 1 24 24 SER N N 15 120.589 0.500 . 1 . . . . A 24 SER N . 30538 1 258 . 1 . 1 25 25 LYS H H 1 8.261 0.040 . 1 . . . . A 25 LYS H . 30538 1 259 . 1 . 1 25 25 LYS HA H 1 4.612 0.040 . 1 . . . . A 25 LYS HA . 30538 1 260 . 1 . 1 25 25 LYS HB2 H 1 1.952 0.040 . 2 . . . . A 25 LYS HB2 . 30538 1 261 . 1 . 1 25 25 LYS HB3 H 1 1.712 0.040 . 2 . . . . A 25 LYS HB3 . 30538 1 262 . 1 . 1 25 25 LYS HG2 H 1 1.439 0.040 . 2 . . . . A 25 LYS HG2 . 30538 1 263 . 1 . 1 25 25 LYS HG3 H 1 1.296 0.040 . 2 . . . . A 25 LYS HG3 . 30538 1 264 . 1 . 1 25 25 LYS HD2 H 1 1.784 0.040 . 2 . . . . A 25 LYS HD2 . 30538 1 265 . 1 . 1 25 25 LYS HD3 H 1 1.784 0.040 . 2 . . . . A 25 LYS HD3 . 30538 1 266 . 1 . 1 25 25 LYS HE2 H 1 3.021 0.040 . 2 . . . . A 25 LYS HE2 . 30538 1 267 . 1 . 1 25 25 LYS HE3 H 1 3.021 0.040 . 2 . . . . A 25 LYS HE3 . 30538 1 268 . 1 . 1 25 25 LYS C C 13 174.395 0.500 . 1 . . . . A 25 LYS C . 30538 1 269 . 1 . 1 25 25 LYS CA C 13 55.947 0.500 . 1 . . . . A 25 LYS CA . 30538 1 270 . 1 . 1 25 25 LYS CB C 13 38.111 0.500 . 1 . . . . A 25 LYS CB . 30538 1 271 . 1 . 1 25 25 LYS CG C 13 25.706 0.500 . 1 . . . . A 25 LYS CG . 30538 1 272 . 1 . 1 25 25 LYS CD C 13 29.466 0.500 . 1 . . . . A 25 LYS CD . 30538 1 273 . 1 . 1 25 25 LYS CE C 13 42.278 0.500 . 1 . . . . A 25 LYS CE . 30538 1 274 . 1 . 1 25 25 LYS N N 15 115.843 0.500 . 1 . . . . A 25 LYS N . 30538 1 275 . 1 . 1 26 26 CYS H H 1 8.522 0.040 . 1 . . . . A 26 CYS H . 30538 1 276 . 1 . 1 26 26 CYS HA H 1 4.775 0.040 . 1 . . . . A 26 CYS HA . 30538 1 277 . 1 . 1 26 26 CYS HB2 H 1 2.466 0.040 . 2 . . . . A 26 CYS HB2 . 30538 1 278 . 1 . 1 26 26 CYS HB3 H 1 2.794 0.040 . 2 . . . . A 26 CYS HB3 . 30538 1 279 . 1 . 1 26 26 CYS C C 13 173.283 0.500 . 1 . . . . A 26 CYS C . 30538 1 280 . 1 . 1 26 26 CYS CA C 13 55.772 0.500 . 1 . . . . A 26 CYS CA . 30538 1 281 . 1 . 1 26 26 CYS CB C 13 40.126 0.500 . 1 . . . . A 26 CYS CB . 30538 1 282 . 1 . 1 26 26 CYS N N 15 125.679 0.500 . 1 . . . . A 26 CYS N . 30538 1 283 . 1 . 1 27 27 MET H H 1 8.891 0.040 . 1 . . . . A 27 MET H . 30538 1 284 . 1 . 1 27 27 MET HA H 1 4.717 0.040 . 1 . . . . A 27 MET HA . 30538 1 285 . 1 . 1 27 27 MET HB2 H 1 2.038 0.040 . 2 . . . . A 27 MET HB2 . 30538 1 286 . 1 . 1 27 27 MET HB3 H 1 1.794 0.040 . 2 . . . . A 27 MET HB3 . 30538 1 287 . 1 . 1 27 27 MET HG2 H 1 2.393 0.040 . 2 . . . . A 27 MET HG2 . 30538 1 288 . 1 . 1 27 27 MET HG3 H 1 2.393 0.040 . 2 . . . . A 27 MET HG3 . 30538 1 289 . 1 . 1 27 27 MET HE1 H 1 2.078 0.040 . 1 . . . . A 27 MET HE1 . 30538 1 290 . 1 . 1 27 27 MET HE2 H 1 2.078 0.040 . 1 . . . . A 27 MET HE2 . 30538 1 291 . 1 . 1 27 27 MET HE3 H 1 2.078 0.040 . 1 . . . . A 27 MET HE3 . 30538 1 292 . 1 . 1 27 27 MET C C 13 174.783 0.500 . 1 . . . . A 27 MET C . 30538 1 293 . 1 . 1 27 27 MET CA C 13 54.359 0.500 . 1 . . . . A 27 MET CA . 30538 1 294 . 1 . 1 27 27 MET CB C 13 34.480 0.500 . 1 . . . . A 27 MET CB . 30538 1 295 . 1 . 1 27 27 MET CG C 13 31.540 0.500 . 1 . . . . A 27 MET CG . 30538 1 296 . 1 . 1 27 27 MET CE C 13 16.940 0.500 . 1 . . . . A 27 MET CE . 30538 1 297 . 1 . 1 27 27 MET N N 15 130.422 0.500 . 1 . . . . A 27 MET N . 30538 1 298 . 1 . 1 28 28 ASN H H 1 9.396 0.040 . 1 . . . . A 28 ASN H . 30538 1 299 . 1 . 1 28 28 ASN HA H 1 4.302 0.040 . 1 . . . . A 28 ASN HA . 30538 1 300 . 1 . 1 28 28 ASN HB2 H 1 3.003 0.040 . 2 . . . . A 28 ASN HB2 . 30538 1 301 . 1 . 1 28 28 ASN HB3 H 1 2.716 0.040 . 2 . . . . A 28 ASN HB3 . 30538 1 302 . 1 . 1 28 28 ASN HD21 H 1 6.911 0.040 . 2 . . . . A 28 ASN HD21 . 30538 1 303 . 1 . 1 28 28 ASN HD22 H 1 7.618 0.040 . 2 . . . . A 28 ASN HD22 . 30538 1 304 . 1 . 1 28 28 ASN C C 13 175.483 0.500 . 1 . . . . A 28 ASN C . 30538 1 305 . 1 . 1 28 28 ASN CA C 13 54.253 0.500 . 1 . . . . A 28 ASN CA . 30538 1 306 . 1 . 1 28 28 ASN CB C 13 37.454 0.500 . 1 . . . . A 28 ASN CB . 30538 1 307 . 1 . 1 28 28 ASN N N 15 124.735 0.500 . 1 . . . . A 28 ASN N . 30538 1 308 . 1 . 1 28 28 ASN ND2 N 15 112.956 0.500 . 1 . . . . A 28 ASN ND2 . 30538 1 309 . 1 . 1 29 29 GLY H H 1 8.188 0.040 . 1 . . . . A 29 GLY H . 30538 1 310 . 1 . 1 29 29 GLY HA2 H 1 4.065 0.040 . 2 . . . . A 29 GLY HA2 . 30538 1 311 . 1 . 1 29 29 GLY HA3 H 1 4.065 0.040 . 2 . . . . A 29 GLY HA3 . 30538 1 312 . 1 . 1 29 29 GLY C C 13 174.909 0.500 . 1 . . . . A 29 GLY C . 30538 1 313 . 1 . 1 29 29 GLY CA C 13 45.821 0.500 . 1 . . . . A 29 GLY CA . 30538 1 314 . 1 . 1 29 29 GLY N N 15 102.702 0.500 . 1 . . . . A 29 GLY N . 30538 1 315 . 1 . 1 30 30 LYS H H 1 7.646 0.040 . 1 . . . . A 30 LYS H . 30538 1 316 . 1 . 1 30 30 LYS HA H 1 5.299 0.040 . 1 . . . . A 30 LYS HA . 30538 1 317 . 1 . 1 30 30 LYS HB2 H 1 1.647 0.040 . 2 . . . . A 30 LYS HB2 . 30538 1 318 . 1 . 1 30 30 LYS HB3 H 1 1.701 0.040 . 2 . . . . A 30 LYS HB3 . 30538 1 319 . 1 . 1 30 30 LYS HG2 H 1 1.350 0.040 . 2 . . . . A 30 LYS HG2 . 30538 1 320 . 1 . 1 30 30 LYS HG3 H 1 1.261 0.040 . 2 . . . . A 30 LYS HG3 . 30538 1 321 . 1 . 1 30 30 LYS C C 13 176.813 0.500 . 1 . . . . A 30 LYS C . 30538 1 322 . 1 . 1 30 30 LYS CA C 13 54.432 0.500 . 1 . . . . A 30 LYS CA . 30538 1 323 . 1 . 1 30 30 LYS CB C 13 36.143 0.500 . 1 . . . . A 30 LYS CB . 30538 1 324 . 1 . 1 30 30 LYS CG C 13 24.783 0.500 . 1 . . . . A 30 LYS CG . 30538 1 325 . 1 . 1 30 30 LYS N N 15 119.989 0.500 . 1 . . . . A 30 LYS N . 30538 1 326 . 1 . 1 31 31 CYS H H 1 8.897 0.040 . 1 . . . . A 31 CYS H . 30538 1 327 . 1 . 1 31 31 CYS HA H 1 4.699 0.040 . 1 . . . . A 31 CYS HA . 30538 1 328 . 1 . 1 31 31 CYS HB2 H 1 2.538 0.040 . 2 . . . . A 31 CYS HB2 . 30538 1 329 . 1 . 1 31 31 CYS HB3 H 1 2.757 0.040 . 2 . . . . A 31 CYS HB3 . 30538 1 330 . 1 . 1 31 31 CYS C C 13 174.926 0.500 . 1 . . . . A 31 CYS C . 30538 1 331 . 1 . 1 31 31 CYS CA C 13 56.077 0.500 . 1 . . . . A 31 CYS CA . 30538 1 332 . 1 . 1 31 31 CYS CB C 13 40.072 0.500 . 1 . . . . A 31 CYS CB . 30538 1 333 . 1 . 1 31 31 CYS N N 15 120.472 0.500 . 1 . . . . A 31 CYS N . 30538 1 334 . 1 . 1 32 32 LYS H H 1 8.986 0.040 . 1 . . . . A 32 LYS H . 30538 1 335 . 1 . 1 32 32 LYS HA H 1 4.460 0.040 . 1 . . . . A 32 LYS HA . 30538 1 336 . 1 . 1 32 32 LYS HB2 H 1 1.716 0.040 . 2 . . . . A 32 LYS HB2 . 30538 1 337 . 1 . 1 32 32 LYS HB3 H 1 1.614 0.040 . 2 . . . . A 32 LYS HB3 . 30538 1 338 . 1 . 1 32 32 LYS HG2 H 1 1.048 0.040 . 2 . . . . A 32 LYS HG2 . 30538 1 339 . 1 . 1 32 32 LYS HG3 H 1 0.865 0.040 . 2 . . . . A 32 LYS HG3 . 30538 1 340 . 1 . 1 32 32 LYS HD2 H 1 1.541 0.040 . 2 . . . . A 32 LYS HD2 . 30538 1 341 . 1 . 1 32 32 LYS HD3 H 1 1.541 0.040 . 2 . . . . A 32 LYS HD3 . 30538 1 342 . 1 . 1 32 32 LYS C C 13 174.266 0.500 . 1 . . . . A 32 LYS C . 30538 1 343 . 1 . 1 32 32 LYS CA C 13 54.337 0.500 . 1 . . . . A 32 LYS CA . 30538 1 344 . 1 . 1 32 32 LYS CB C 13 33.120 0.500 . 1 . . . . A 32 LYS CB . 30538 1 345 . 1 . 1 32 32 LYS CG C 13 24.435 0.500 . 1 . . . . A 32 LYS CG . 30538 1 346 . 1 . 1 32 32 LYS CD C 13 28.615 0.500 . 1 . . . . A 32 LYS CD . 30538 1 347 . 1 . 1 32 32 LYS N N 15 125.666 0.500 . 1 . . . . A 32 LYS N . 30538 1 348 . 1 . 1 33 33 CYS H H 1 8.837 0.040 . 1 . . . . A 33 CYS H . 30538 1 349 . 1 . 1 33 33 CYS HA H 1 4.766 0.040 . 1 . . . . A 33 CYS HA . 30538 1 350 . 1 . 1 33 33 CYS HB2 H 1 2.583 0.040 . 2 . . . . A 33 CYS HB2 . 30538 1 351 . 1 . 1 33 33 CYS HB3 H 1 3.488 0.040 . 2 . . . . A 33 CYS HB3 . 30538 1 352 . 1 . 1 33 33 CYS C C 13 175.477 0.500 . 1 . . . . A 33 CYS C . 30538 1 353 . 1 . 1 33 33 CYS CA C 13 51.704 0.500 . 1 . . . . A 33 CYS CA . 30538 1 354 . 1 . 1 33 33 CYS CB C 13 34.534 0.500 . 1 . . . . A 33 CYS CB . 30538 1 355 . 1 . 1 33 33 CYS N N 15 123.142 0.500 . 1 . . . . A 33 CYS N . 30538 1 356 . 1 . 1 34 34 TYR H H 1 8.109 0.040 . 1 . . . . A 34 TYR H . 30538 1 357 . 1 . 1 34 34 TYR HA H 1 4.486 0.040 . 1 . . . . A 34 TYR HA . 30538 1 358 . 1 . 1 34 34 TYR HB2 H 1 2.402 0.040 . 2 . . . . A 34 TYR HB2 . 30538 1 359 . 1 . 1 34 34 TYR HB3 H 1 3.159 0.040 . 2 . . . . A 34 TYR HB3 . 30538 1 360 . 1 . 1 34 34 TYR HD1 H 1 6.916 0.040 . 1 . . . . A 34 TYR HD1 . 30538 1 361 . 1 . 1 34 34 TYR HD2 H 1 6.916 0.040 . 1 . . . . A 34 TYR HD2 . 30538 1 362 . 1 . 1 34 34 TYR HE1 H 1 6.631 0.040 . 1 . . . . A 34 TYR HE1 . 30538 1 363 . 1 . 1 34 34 TYR HE2 H 1 6.631 0.040 . 1 . . . . A 34 TYR HE2 . 30538 1 364 . 1 . 1 34 34 TYR C C 13 176.743 0.500 . 1 . . . . A 34 TYR C . 30538 1 365 . 1 . 1 34 34 TYR CA C 13 58.816 0.500 . 1 . . . . A 34 TYR CA . 30538 1 366 . 1 . 1 34 34 TYR CB C 13 39.250 0.500 . 1 . . . . A 34 TYR CB . 30538 1 367 . 1 . 1 34 34 TYR CD1 C 13 131.963 0.500 . 3 . . . . A 34 TYR CD1 . 30538 1 368 . 1 . 1 34 34 TYR CE1 C 13 118.090 0.500 . 3 . . . . A 34 TYR CE1 . 30538 1 369 . 1 . 1 34 34 TYR N N 15 123.452 0.500 . 1 . . . . A 34 TYR N . 30538 1 370 . 1 . 1 35 35 GLY H H 1 9.161 0.040 . 1 . . . . A 35 GLY H . 30538 1 371 . 1 . 1 35 35 GLY HA2 H 1 3.650 0.040 . 2 . . . . A 35 GLY HA2 . 30538 1 372 . 1 . 1 35 35 GLY HA3 H 1 4.244 0.040 . 2 . . . . A 35 GLY HA3 . 30538 1 373 . 1 . 1 35 35 GLY C C 13 172.830 0.500 . 1 . . . . A 35 GLY C . 30538 1 374 . 1 . 1 35 35 GLY CA C 13 43.811 0.500 . 1 . . . . A 35 GLY CA . 30538 1 375 . 1 . 1 35 35 GLY N N 15 108.526 0.500 . 1 . . . . A 35 GLY N . 30538 1 376 . 1 . 1 36 36 CYS H H 1 8.630 0.040 . 1 . . . . A 36 CYS H . 30538 1 377 . 1 . 1 36 36 CYS HA H 1 4.556 0.040 . 1 . . . . A 36 CYS HA . 30538 1 378 . 1 . 1 36 36 CYS HB2 H 1 2.732 0.040 . 2 . . . . A 36 CYS HB2 . 30538 1 379 . 1 . 1 36 36 CYS HB3 H 1 3.142 0.040 . 2 . . . . A 36 CYS HB3 . 30538 1 380 . 1 . 1 36 36 CYS C C 13 174.852 0.500 . 1 . . . . A 36 CYS C . 30538 1 381 . 1 . 1 36 36 CYS CA C 13 54.520 0.500 . 1 . . . . A 36 CYS CA . 30538 1 382 . 1 . 1 36 36 CYS CB C 13 41.603 0.500 . 1 . . . . A 36 CYS CB . 30538 1 383 . 1 . 1 36 36 CYS N N 15 117.411 0.500 . 1 . . . . A 36 CYS N . 30538 1 384 . 1 . 1 37 37 VAL H H 1 7.607 0.040 . 1 . . . . A 37 VAL H . 30538 1 385 . 1 . 1 37 37 VAL HA H 1 4.030 0.040 . 1 . . . . A 37 VAL HA . 30538 1 386 . 1 . 1 37 37 VAL HB H 1 2.050 0.040 . 1 . . . . A 37 VAL HB . 30538 1 387 . 1 . 1 37 37 VAL HG11 H 1 0.818 0.040 . 2 . . . . A 37 VAL HG11 . 30538 1 388 . 1 . 1 37 37 VAL HG12 H 1 0.818 0.040 . 2 . . . . A 37 VAL HG12 . 30538 1 389 . 1 . 1 37 37 VAL HG13 H 1 0.818 0.040 . 2 . . . . A 37 VAL HG13 . 30538 1 390 . 1 . 1 37 37 VAL HG21 H 1 0.763 0.040 . 2 . . . . A 37 VAL HG21 . 30538 1 391 . 1 . 1 37 37 VAL HG22 H 1 0.763 0.040 . 2 . . . . A 37 VAL HG22 . 30538 1 392 . 1 . 1 37 37 VAL HG23 H 1 0.763 0.040 . 2 . . . . A 37 VAL HG23 . 30538 1 393 . 1 . 1 37 37 VAL CA C 13 63.326 0.500 . 1 . . . . A 37 VAL CA . 30538 1 394 . 1 . 1 37 37 VAL CB C 13 33.308 0.500 . 1 . . . . A 37 VAL CB . 30538 1 395 . 1 . 1 37 37 VAL CG1 C 13 21.491 0.500 . 2 . . . . A 37 VAL CG1 . 30538 1 396 . 1 . 1 37 37 VAL CG2 C 13 19.762 0.500 . 2 . . . . A 37 VAL CG2 . 30538 1 397 . 1 . 1 37 37 VAL N N 15 124.326 0.500 . 1 . . . . A 37 VAL N . 30538 1 stop_ save_