################################### # 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 30009 _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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' . . . 30009 1 2 '3D CBCA(CO)NH' . . . 30009 1 3 '3D HNCO' . . . 30009 1 4 '3D HNCACB' . . . 30009 1 5 '3D 1H-15N NOESY' . . . 30009 1 6 '3D HCCH TOCSY' . . . 30009 1 7 '3D 1H-13C NOESY aliphatic' . . . 30009 1 8 '3D 1H-13C NOESY aromatic' . . . 30009 1 9 '3D HBHA(CO)NH' . . . 30009 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 $software_1 . . 30009 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 SER C C 13 170.662 0.000 . 1 . . . 1 A 1 SER C . 30009 1 2 . 1 1 1 1 SER CA C 13 57.499 0.003 . 1 . . . 1 A 1 SER CA . 30009 1 3 . 1 1 1 1 SER CB C 13 63.053 0.000 . 1 . . . 1 A 1 SER CB . 30009 1 4 . 1 1 1 1 SER HA H 1 4.154 0.004 . 1 . . . 1 A 1 SER HA . 30009 1 5 . 1 1 1 1 SER HB2 H 1 3.979 0.000 . 2 . . . 1 A 1 SER HB2 . 30009 1 6 . 1 1 1 1 SER HB3 H 1 3.979 0.000 . 2 . . . 1 A 1 SER HB3 . 30009 1 7 . 1 1 2 2 GLU C C 13 175.847 0.000 . 1 . . . 1 A 2 GLU C . 30009 1 8 . 1 1 2 2 GLU CA C 13 56.395 0.005 . 1 . . . 1 A 2 GLU CA . 30009 1 9 . 1 1 2 2 GLU CB C 13 30.430 0.000 . 1 . . . 1 A 2 GLU CB . 30009 1 10 . 1 1 2 2 GLU CG C 13 36.029 0.000 . 1 . . . 1 A 2 GLU CG . 30009 1 11 . 1 1 2 2 GLU H H 1 8.809 0.001 . 1 . . . 1 A 2 GLU H . 30009 1 12 . 1 1 2 2 GLU HA H 1 4.431 0.001 . 1 . . . 1 A 2 GLU HA . 30009 1 13 . 1 1 2 2 GLU HB2 H 1 2.128 0.010 . 2 . . . 1 A 2 GLU HB2 . 30009 1 14 . 1 1 2 2 GLU HB3 H 1 1.949 0.003 . 2 . . . 1 A 2 GLU HB3 . 30009 1 15 . 1 1 2 2 GLU N N 15 121.416 0.013 . 1 . . . 1 A 2 GLU N . 30009 1 16 . 1 1 2 2 GLU HG2 H 1 2.293 0.000 . 2 . . . 1 A 2 GLU HG2 . 30009 1 17 . 1 1 2 2 GLU HG3 H 1 2.293 0.000 . 2 . . . 1 A 2 GLU HG3 . 30009 1 18 . 1 1 3 3 ASP C C 13 175.519 0.000 . 1 . . . 1 A 3 ASP C . 30009 1 19 . 1 1 3 3 ASP CA C 13 54.190 0.000 . 1 . . . 1 A 3 ASP CA . 30009 1 20 . 1 1 3 3 ASP CB C 13 41.044 0.023 . 1 . . . 1 A 3 ASP CB . 30009 1 21 . 1 1 3 3 ASP H H 1 8.557 0.004 . 1 . . . 1 A 3 ASP H . 30009 1 22 . 1 1 3 3 ASP HA H 1 4.686 0.002 . 1 . . . 1 A 3 ASP HA . 30009 1 23 . 1 1 3 3 ASP HB2 H 1 2.732 0.007 . 2 . . . 1 A 3 ASP HB2 . 30009 1 24 . 1 1 3 3 ASP HB3 H 1 2.589 0.006 . 2 . . . 1 A 3 ASP HB3 . 30009 1 25 . 1 1 3 3 ASP N N 15 122.670 0.031 . 1 . . . 1 A 3 ASP N . 30009 1 26 . 1 1 4 4 CYS C C 13 173.141 0.000 . 1 . . . 1 A 4 CYS C . 30009 1 27 . 1 1 4 4 CYS CA C 13 54.173 0.000 . 1 . . . 1 A 4 CYS CA . 30009 1 28 . 1 1 4 4 CYS CB C 13 43.241 0.038 . 1 . . . 1 A 4 CYS CB . 30009 1 29 . 1 1 4 4 CYS H H 1 8.167 0.003 . 1 . . . 1 A 4 CYS H . 30009 1 30 . 1 1 4 4 CYS HA H 1 4.902 0.004 . 1 . . . 1 A 4 CYS HA . 30009 1 31 . 1 1 4 4 CYS N N 15 116.311 0.007 . 1 . . . 1 A 4 CYS N . 30009 1 32 . 1 1 4 4 CYS HB2 H 1 3.240 0.004 . 2 . . . 1 A 4 CYS HB2 . 30009 1 33 . 1 1 4 4 CYS HB3 H 1 3.240 0.004 . 2 . . . 1 A 4 CYS HB3 . 30009 1 34 . 1 1 5 5 LEU C C 13 175.050 0.000 . 1 . . . 1 A 5 LEU C . 30009 1 35 . 1 1 5 5 LEU CA C 13 54.436 0.018 . 1 . . . 1 A 5 LEU CA . 30009 1 36 . 1 1 5 5 LEU CB C 13 43.287 0.032 . 1 . . . 1 A 5 LEU CB . 30009 1 37 . 1 1 5 5 LEU CD1 C 13 26.233 0.000 . 2 . . . 1 A 5 LEU CD1 . 30009 1 38 . 1 1 5 5 LEU CD2 C 13 21.960 0.043 . 2 . . . 1 A 5 LEU CD2 . 30009 1 39 . 1 1 5 5 LEU CG C 13 26.267 0.078 . 1 . . . 1 A 5 LEU CG . 30009 1 40 . 1 1 5 5 LEU H H 1 8.649 0.009 . 1 . . . 1 A 5 LEU H . 30009 1 41 . 1 1 5 5 LEU HA H 1 4.410 0.003 . 1 . . . 1 A 5 LEU HA . 30009 1 42 . 1 1 5 5 LEU HB2 H 1 1.764 0.010 . 2 . . . 1 A 5 LEU HB2 . 30009 1 43 . 1 1 5 5 LEU HB3 H 1 1.470 0.009 . 2 . . . 1 A 5 LEU HB3 . 30009 1 44 . 1 1 5 5 LEU HG H 1 1.569 0.005 . 1 . . . 1 A 5 LEU HG . 30009 1 45 . 1 1 5 5 LEU N N 15 120.935 0.015 . 1 . . . 1 A 5 LEU N . 30009 1 46 . 1 1 5 5 LEU HD11 H 1 0.927 0.008 . 2 . . . 1 A 5 LEU HD11 . 30009 1 47 . 1 1 5 5 LEU HD12 H 1 0.927 0.008 . 2 . . . 1 A 5 LEU HD12 . 30009 1 48 . 1 1 5 5 LEU HD13 H 1 0.927 0.008 . 2 . . . 1 A 5 LEU HD13 . 30009 1 49 . 1 1 5 5 LEU HD21 H 1 0.831 0.006 . 2 . . . 1 A 5 LEU HD21 . 30009 1 50 . 1 1 5 5 LEU HD22 H 1 0.831 0.006 . 2 . . . 1 A 5 LEU HD22 . 30009 1 51 . 1 1 5 5 LEU HD23 H 1 0.831 0.006 . 2 . . . 1 A 5 LEU HD23 . 30009 1 52 . 1 1 6 6 GLY C C 13 172.888 0.000 . 1 . . . 1 A 6 GLY C . 30009 1 53 . 1 1 6 6 GLY CA C 13 43.195 0.043 . 1 . . . 1 A 6 GLY CA . 30009 1 54 . 1 1 6 6 GLY H H 1 8.292 0.003 . 1 . . . 1 A 6 GLY H . 30009 1 55 . 1 1 6 6 GLY HA2 H 1 3.954 0.004 . 2 . . . 1 A 6 GLY HA2 . 30009 1 56 . 1 1 6 6 GLY HA3 H 1 3.609 0.001 . 2 . . . 1 A 6 GLY HA3 . 30009 1 57 . 1 1 6 6 GLY N N 15 109.114 0.028 . 1 . . . 1 A 6 GLY N . 30009 1 58 . 1 1 7 7 TRP C C 13 176.734 0.000 . 1 . . . 1 A 7 TRP C . 30009 1 59 . 1 1 7 7 TRP CA C 13 59.291 0.044 . 1 . . . 1 A 7 TRP CA . 30009 1 60 . 1 1 7 7 TRP CB C 13 28.433 0.061 . 1 . . . 1 A 7 TRP CB . 30009 1 61 . 1 1 7 7 TRP CD1 C 13 126.954 0.039 . 1 . . . 1 A 7 TRP CD1 . 30009 1 62 . 1 1 7 7 TRP CE3 C 13 121.248 0.016 . 1 . . . 1 A 7 TRP CE3 . 30009 1 63 . 1 1 7 7 TRP CH2 C 13 124.464 0.003 . 1 . . . 1 A 7 TRP CH2 . 30009 1 64 . 1 1 7 7 TRP CZ2 C 13 114.347 0.008 . 1 . . . 1 A 7 TRP CZ2 . 30009 1 65 . 1 1 7 7 TRP CZ3 C 13 121.598 0.000 . 1 . . . 1 A 7 TRP CZ3 . 30009 1 66 . 1 1 7 7 TRP H H 1 7.784 0.004 . 1 . . . 1 A 7 TRP H . 30009 1 67 . 1 1 7 7 TRP HA H 1 3.333 0.005 . 1 . . . 1 A 7 TRP HA . 30009 1 68 . 1 1 7 7 TRP HD1 H 1 6.972 0.007 . 1 . . . 1 A 7 TRP HD1 . 30009 1 69 . 1 1 7 7 TRP HE1 H 1 10.227 0.012 . 1 . . . 1 A 7 TRP HE1 . 30009 1 70 . 1 1 7 7 TRP HE3 H 1 7.329 0.002 . 1 . . . 1 A 7 TRP HE3 . 30009 1 71 . 1 1 7 7 TRP HH2 H 1 7.199 0.001 . 1 . . . 1 A 7 TRP HH2 . 30009 1 72 . 1 1 7 7 TRP HZ2 H 1 7.531 0.004 . 1 . . . 1 A 7 TRP HZ2 . 30009 1 73 . 1 1 7 7 TRP HZ3 H 1 6.911 0.006 . 1 . . . 1 A 7 TRP HZ3 . 30009 1 74 . 1 1 7 7 TRP N N 15 118.627 0.027 . 1 . . . 1 A 7 TRP N . 30009 1 75 . 1 1 7 7 TRP NE1 N 15 129.510 0.004 . 1 . . . 1 A 7 TRP NE1 . 30009 1 76 . 1 1 7 7 TRP HB2 H 1 2.902 0.004 . 2 . . . 1 A 7 TRP HB2 . 30009 1 77 . 1 1 7 7 TRP HB3 H 1 2.902 0.004 . 2 . . . 1 A 7 TRP HB3 . 30009 1 78 . 1 1 8 8 ALA C C 13 176.165 0.000 . 1 . . . 1 A 8 ALA C . 30009 1 79 . 1 1 8 8 ALA CA C 13 53.582 0.063 . 1 . . . 1 A 8 ALA CA . 30009 1 80 . 1 1 8 8 ALA CB C 13 15.474 0.068 . 1 . . . 1 A 8 ALA CB . 30009 1 81 . 1 1 8 8 ALA H H 1 8.214 0.004 . 1 . . . 1 A 8 ALA H . 30009 1 82 . 1 1 8 8 ALA HA H 1 3.186 0.009 . 1 . . . 1 A 8 ALA HA . 30009 1 83 . 1 1 8 8 ALA N N 15 123.506 0.019 . 1 . . . 1 A 8 ALA N . 30009 1 84 . 1 1 8 8 ALA HB1 H 1 0.156 0.007 . 1 . . . 1 A 8 ALA HB1 . 30009 1 85 . 1 1 8 8 ALA HB2 H 1 0.156 0.007 . 1 . . . 1 A 8 ALA HB2 . 30009 1 86 . 1 1 8 8 ALA HB3 H 1 0.156 0.007 . 1 . . . 1 A 8 ALA HB3 . 30009 1 87 . 1 1 9 9 SER C C 13 174.100 0.000 . 1 . . . 1 A 9 SER C . 30009 1 88 . 1 1 9 9 SER CA C 13 59.428 0.062 . 1 . . . 1 A 9 SER CA . 30009 1 89 . 1 1 9 9 SER CB C 13 64.664 0.115 . 1 . . . 1 A 9 SER CB . 30009 1 90 . 1 1 9 9 SER H H 1 7.734 0.004 . 1 . . . 1 A 9 SER H . 30009 1 91 . 1 1 9 9 SER HA H 1 4.301 0.001 . 1 . . . 1 A 9 SER HA . 30009 1 92 . 1 1 9 9 SER N N 15 115.657 0.025 . 1 . . . 1 A 9 SER N . 30009 1 93 . 1 1 9 9 SER HB2 H 1 3.757 0.003 . 2 . . . 1 A 9 SER HB2 . 30009 1 94 . 1 1 9 9 SER HB3 H 1 3.757 0.003 . 2 . . . 1 A 9 SER HB3 . 30009 1 95 . 1 1 10 10 ARG C C 13 175.865 0.000 . 1 . . . 1 A 10 ARG C . 30009 1 96 . 1 1 10 10 ARG CA C 13 56.385 0.000 . 1 . . . 1 A 10 ARG CA . 30009 1 97 . 1 1 10 10 ARG CB C 13 29.519 0.029 . 1 . . . 1 A 10 ARG CB . 30009 1 98 . 1 1 10 10 ARG CD C 13 42.753 0.000 . 1 . . . 1 A 10 ARG CD . 30009 1 99 . 1 1 10 10 ARG CG C 13 27.026 0.024 . 1 . . . 1 A 10 ARG CG . 30009 1 100 . 1 1 10 10 ARG H H 1 8.561 0.004 . 1 . . . 1 A 10 ARG H . 30009 1 101 . 1 1 10 10 ARG HA H 1 4.772 0.003 . 1 . . . 1 A 10 ARG HA . 30009 1 102 . 1 1 10 10 ARG HD2 H 1 3.304 0.001 . 2 . . . 1 A 10 ARG HD2 . 30009 1 103 . 1 1 10 10 ARG HD3 H 1 3.260 0.001 . 2 . . . 1 A 10 ARG HD3 . 30009 1 104 . 1 1 10 10 ARG HG2 H 1 1.792 0.001 . 2 . . . 1 A 10 ARG HG2 . 30009 1 105 . 1 1 10 10 ARG HG3 H 1 1.677 0.000 . 2 . . . 1 A 10 ARG HG3 . 30009 1 106 . 1 1 10 10 ARG N N 15 124.788 0.008 . 1 . . . 1 A 10 ARG N . 30009 1 107 . 1 1 10 10 ARG HB2 H 1 1.833 0.002 . 2 . . . 1 A 10 ARG HB2 . 30009 1 108 . 1 1 10 10 ARG HB3 H 1 1.833 0.002 . 2 . . . 1 A 10 ARG HB3 . 30009 1 109 . 1 1 11 11 CYS C C 13 171.660 0.000 . 1 . . . 1 A 11 CYS C . 30009 1 110 . 1 1 11 11 CYS CA C 13 53.798 0.000 . 1 . . . 1 A 11 CYS CA . 30009 1 111 . 1 1 11 11 CYS CB C 13 45.601 0.076 . 1 . . . 1 A 11 CYS CB . 30009 1 112 . 1 1 11 11 CYS H H 1 8.097 0.002 . 1 . . . 1 A 11 CYS H . 30009 1 113 . 1 1 11 11 CYS HA H 1 4.808 0.005 . 1 . . . 1 A 11 CYS HA . 30009 1 114 . 1 1 11 11 CYS HB2 H 1 3.099 0.004 . 2 . . . 1 A 11 CYS HB2 . 30009 1 115 . 1 1 11 11 CYS HB3 H 1 2.867 0.007 . 2 . . . 1 A 11 CYS HB3 . 30009 1 116 . 1 1 11 11 CYS N N 15 119.587 0.008 . 1 . . . 1 A 11 CYS N . 30009 1 117 . 1 1 12 12 SER CA C 13 52.964 0.025 . 1 . . . 1 A 12 SER CA . 30009 1 118 . 1 1 12 12 SER CB C 13 65.012 0.074 . 1 . . . 1 A 12 SER CB . 30009 1 119 . 1 1 12 12 SER H H 1 8.939 0.008 . 1 . . . 1 A 12 SER H . 30009 1 120 . 1 1 12 12 SER HA H 1 5.048 0.005 . 1 . . . 1 A 12 SER HA . 30009 1 121 . 1 1 12 12 SER HB2 H 1 3.809 0.000 . 2 . . . 1 A 12 SER HB2 . 30009 1 122 . 1 1 12 12 SER HB3 H 1 3.679 0.003 . 2 . . . 1 A 12 SER HB3 . 30009 1 123 . 1 1 12 12 SER N N 15 114.807 0.029 . 1 . . . 1 A 12 SER N . 30009 1 124 . 1 1 13 13 PRO C C 13 176.960 0.000 . 1 . . . 1 A 13 PRO C . 30009 1 125 . 1 1 13 13 PRO CA C 13 64.334 0.027 . 1 . . . 1 A 13 PRO CA . 30009 1 126 . 1 1 13 13 PRO CB C 13 32.124 0.035 . 1 . . . 1 A 13 PRO CB . 30009 1 127 . 1 1 13 13 PRO CD C 13 51.279 0.026 . 1 . . . 1 A 13 PRO CD . 30009 1 128 . 1 1 13 13 PRO CG C 13 27.826 0.063 . 1 . . . 1 A 13 PRO CG . 30009 1 129 . 1 1 13 13 PRO HA H 1 3.988 0.007 . 1 . . . 1 A 13 PRO HA . 30009 1 130 . 1 1 13 13 PRO HB2 H 1 2.122 0.005 . 2 . . . 1 A 13 PRO HB2 . 30009 1 131 . 1 1 13 13 PRO HB3 H 1 1.907 0.001 . 2 . . . 1 A 13 PRO HB3 . 30009 1 132 . 1 1 13 13 PRO HD2 H 1 3.839 0.001 . 2 . . . 1 A 13 PRO HD2 . 30009 1 133 . 1 1 13 13 PRO HD3 H 1 3.733 0.001 . 2 . . . 1 A 13 PRO HD3 . 30009 1 134 . 1 1 13 13 PRO HG2 H 1 1.973 0.008 . 2 . . . 1 A 13 PRO HG2 . 30009 1 135 . 1 1 13 13 PRO HG3 H 1 1.619 0.006 . 2 . . . 1 A 13 PRO HG3 . 30009 1 136 . 1 1 14 14 LYS C C 13 176.142 0.000 . 1 . . . 1 A 14 LYS C . 30009 1 137 . 1 1 14 14 LYS CA C 13 56.979 0.075 . 1 . . . 1 A 14 LYS CA . 30009 1 138 . 1 1 14 14 LYS CB C 13 32.513 0.058 . 1 . . . 1 A 14 LYS CB . 30009 1 139 . 1 1 14 14 LYS CD C 13 28.529 0.000 . 1 . . . 1 A 14 LYS CD . 30009 1 140 . 1 1 14 14 LYS CE C 13 42.067 0.000 . 1 . . . 1 A 14 LYS CE . 30009 1 141 . 1 1 14 14 LYS CG C 13 24.798 0.000 . 1 . . . 1 A 14 LYS CG . 30009 1 142 . 1 1 14 14 LYS H H 1 7.547 0.004 . 1 . . . 1 A 14 LYS H . 30009 1 143 . 1 1 14 14 LYS HA H 1 4.157 0.005 . 1 . . . 1 A 14 LYS HA . 30009 1 144 . 1 1 14 14 LYS HB2 H 1 1.779 0.003 . 2 . . . 1 A 14 LYS HB2 . 30009 1 145 . 1 1 14 14 LYS HB3 H 1 1.596 0.009 . 2 . . . 1 A 14 LYS HB3 . 30009 1 146 . 1 1 14 14 LYS HG2 H 1 1.384 0.004 . 2 . . . 1 A 14 LYS HG2 . 30009 1 147 . 1 1 14 14 LYS HG3 H 1 1.319 0.001 . 2 . . . 1 A 14 LYS HG3 . 30009 1 148 . 1 1 14 14 LYS N N 15 114.849 0.017 . 1 . . . 1 A 14 LYS N . 30009 1 149 . 1 1 14 14 LYS HD2 H 1 1.604 0.000 . 2 . . . 1 A 14 LYS HD2 . 30009 1 150 . 1 1 14 14 LYS HD3 H 1 1.604 0.000 . 2 . . . 1 A 14 LYS HD3 . 30009 1 151 . 1 1 14 14 LYS HE2 H 1 2.944 0.006 . 2 . . . 1 A 14 LYS HE2 . 30009 1 152 . 1 1 14 14 LYS HE3 H 1 2.944 0.006 . 2 . . . 1 A 14 LYS HE3 . 30009 1 153 . 1 1 15 15 ASN C C 13 173.566 0.000 . 1 . . . 1 A 15 ASN C . 30009 1 154 . 1 1 15 15 ASN CA C 13 52.521 0.000 . 1 . . . 1 A 15 ASN CA . 30009 1 155 . 1 1 15 15 ASN CB C 13 38.098 0.093 . 1 . . . 1 A 15 ASN CB . 30009 1 156 . 1 1 15 15 ASN H H 1 7.159 0.004 . 1 . . . 1 A 15 ASN H . 30009 1 157 . 1 1 15 15 ASN HA H 1 4.693 0.001 . 1 . . . 1 A 15 ASN HA . 30009 1 158 . 1 1 15 15 ASN HB2 H 1 2.665 0.007 . 2 . . . 1 A 15 ASN HB2 . 30009 1 159 . 1 1 15 15 ASN HB3 H 1 2.557 0.003 . 2 . . . 1 A 15 ASN HB3 . 30009 1 160 . 1 1 15 15 ASN HD21 H 1 7.491 0.003 . 2 . . . 1 A 15 ASN HD21 . 30009 1 161 . 1 1 15 15 ASN HD22 H 1 6.819 0.001 . 2 . . . 1 A 15 ASN HD22 . 30009 1 162 . 1 1 15 15 ASN N N 15 118.201 0.019 . 1 . . . 1 A 15 ASN N . 30009 1 163 . 1 1 15 15 ASN ND2 N 15 110.837 0.016 . 1 . . . 1 A 15 ASN ND2 . 30009 1 164 . 1 1 16 16 ASP C C 13 177.377 0.000 . 1 . . . 1 A 16 ASP C . 30009 1 165 . 1 1 16 16 ASP CA C 13 55.620 0.100 . 1 . . . 1 A 16 ASP CA . 30009 1 166 . 1 1 16 16 ASP CB C 13 41.408 0.066 . 1 . . . 1 A 16 ASP CB . 30009 1 167 . 1 1 16 16 ASP H H 1 8.509 0.002 . 1 . . . 1 A 16 ASP H . 30009 1 168 . 1 1 16 16 ASP HA H 1 4.343 0.002 . 1 . . . 1 A 16 ASP HA . 30009 1 169 . 1 1 16 16 ASP HB2 H 1 3.014 0.002 . 2 . . . 1 A 16 ASP HB2 . 30009 1 170 . 1 1 16 16 ASP HB3 H 1 2.488 0.003 . 2 . . . 1 A 16 ASP HB3 . 30009 1 171 . 1 1 16 16 ASP N N 15 124.159 0.021 . 1 . . . 1 A 16 ASP N . 30009 1 172 . 1 1 17 17 LYS C C 13 177.176 0.000 . 1 . . . 1 A 17 LYS C . 30009 1 173 . 1 1 17 17 LYS CA C 13 54.318 0.000 . 1 . . . 1 A 17 LYS CA . 30009 1 174 . 1 1 17 17 LYS CB C 13 31.352 0.016 . 1 . . . 1 A 17 LYS CB . 30009 1 175 . 1 1 17 17 LYS CD C 13 28.874 0.000 . 1 . . . 1 A 17 LYS CD . 30009 1 176 . 1 1 17 17 LYS CE C 13 42.157 0.000 . 1 . . . 1 A 17 LYS CE . 30009 1 177 . 1 1 17 17 LYS CG C 13 24.413 0.023 . 1 . . . 1 A 17 LYS CG . 30009 1 178 . 1 1 17 17 LYS H H 1 8.068 0.003 . 1 . . . 1 A 17 LYS H . 30009 1 179 . 1 1 17 17 LYS HA H 1 4.628 0.003 . 1 . . . 1 A 17 LYS HA . 30009 1 180 . 1 1 17 17 LYS HB2 H 1 2.361 0.003 . 2 . . . 1 A 17 LYS HB2 . 30009 1 181 . 1 1 17 17 LYS HB3 H 1 1.582 0.005 . 2 . . . 1 A 17 LYS HB3 . 30009 1 182 . 1 1 17 17 LYS HG2 H 1 1.486 0.001 . 2 . . . 1 A 17 LYS HG2 . 30009 1 183 . 1 1 17 17 LYS HG3 H 1 1.375 0.002 . 2 . . . 1 A 17 LYS HG3 . 30009 1 184 . 1 1 17 17 LYS N N 15 127.999 0.021 . 1 . . . 1 A 17 LYS N . 30009 1 185 . 1 1 17 17 LYS HD2 H 1 1.624 0.006 . 2 . . . 1 A 17 LYS HD2 . 30009 1 186 . 1 1 17 17 LYS HD3 H 1 1.624 0.006 . 2 . . . 1 A 17 LYS HD3 . 30009 1 187 . 1 1 17 17 LYS HE2 H 1 2.878 0.000 . 2 . . . 1 A 17 LYS HE2 . 30009 1 188 . 1 1 17 17 LYS HE3 H 1 2.878 0.000 . 2 . . . 1 A 17 LYS HE3 . 30009 1 189 . 1 1 18 18 CYS C C 13 175.894 0.000 . 1 . . . 1 A 18 CYS C . 30009 1 190 . 1 1 18 18 CYS CA C 13 57.006 0.037 . 1 . . . 1 A 18 CYS CA . 30009 1 191 . 1 1 18 18 CYS CB C 13 39.382 0.047 . 1 . . . 1 A 18 CYS CB . 30009 1 192 . 1 1 18 18 CYS H H 1 9.373 0.002 . 1 . . . 1 A 18 CYS H . 30009 1 193 . 1 1 18 18 CYS HA H 1 5.004 0.006 . 1 . . . 1 A 18 CYS HA . 30009 1 194 . 1 1 18 18 CYS N N 15 121.594 0.029 . 1 . . . 1 A 18 CYS N . 30009 1 195 . 1 1 18 18 CYS HB2 H 1 2.983 0.006 . 2 . . . 1 A 18 CYS HB2 . 30009 1 196 . 1 1 18 18 CYS HB3 H 1 2.983 0.006 . 2 . . . 1 A 18 CYS HB3 . 30009 1 197 . 1 1 19 19 CYS CA C 13 54.014 0.000 . 1 . . . 1 A 19 CYS CA . 30009 1 198 . 1 1 19 19 CYS CB C 13 38.504 0.039 . 1 . . . 1 A 19 CYS CB . 30009 1 199 . 1 1 19 19 CYS H H 1 9.888 0.003 . 1 . . . 1 A 19 CYS H . 30009 1 200 . 1 1 19 19 CYS HA H 1 4.794 0.001 . 1 . . . 1 A 19 CYS HA . 30009 1 201 . 1 1 19 19 CYS HB2 H 1 3.599 0.008 . 2 . . . 1 A 19 CYS HB2 . 30009 1 202 . 1 1 19 19 CYS HB3 H 1 2.567 0.007 . 2 . . . 1 A 19 CYS HB3 . 30009 1 203 . 1 1 19 19 CYS N N 15 123.013 0.012 . 1 . . . 1 A 19 CYS N . 30009 1 204 . 1 1 20 20 PRO C C 13 176.557 0.000 . 1 . . . 1 A 20 PRO C . 30009 1 205 . 1 1 20 20 PRO CA C 13 65.634 0.011 . 1 . . . 1 A 20 PRO CA . 30009 1 206 . 1 1 20 20 PRO CB C 13 31.911 0.000 . 1 . . . 1 A 20 PRO CB . 30009 1 207 . 1 1 20 20 PRO CD C 13 50.852 0.081 . 1 . . . 1 A 20 PRO CD . 30009 1 208 . 1 1 20 20 PRO CG C 13 27.704 0.042 . 1 . . . 1 A 20 PRO CG . 30009 1 209 . 1 1 20 20 PRO HA H 1 4.306 0.001 . 1 . . . 1 A 20 PRO HA . 30009 1 210 . 1 1 20 20 PRO HB2 H 1 2.345 0.004 . 2 . . . 1 A 20 PRO HB2 . 30009 1 211 . 1 1 20 20 PRO HB3 H 1 1.832 0.003 . 2 . . . 1 A 20 PRO HB3 . 30009 1 212 . 1 1 20 20 PRO HD2 H 1 3.977 0.003 . 2 . . . 1 A 20 PRO HD2 . 30009 1 213 . 1 1 20 20 PRO HD3 H 1 3.705 0.009 . 2 . . . 1 A 20 PRO HD3 . 30009 1 214 . 1 1 20 20 PRO HG2 H 1 2.092 0.005 . 2 . . . 1 A 20 PRO HG2 . 30009 1 215 . 1 1 20 20 PRO HG3 H 1 2.031 0.001 . 2 . . . 1 A 20 PRO HG3 . 30009 1 216 . 1 1 21 21 ASN C C 13 173.630 0.000 . 1 . . . 1 A 21 ASN C . 30009 1 217 . 1 1 21 21 ASN CA C 13 54.808 0.000 . 1 . . . 1 A 21 ASN CA . 30009 1 218 . 1 1 21 21 ASN CB C 13 37.200 0.000 . 1 . . . 1 A 21 ASN CB . 30009 1 219 . 1 1 21 21 ASN H H 1 8.165 0.005 . 1 . . . 1 A 21 ASN H . 30009 1 220 . 1 1 21 21 ASN HA H 1 4.370 0.009 . 1 . . . 1 A 21 ASN HA . 30009 1 221 . 1 1 21 21 ASN HD21 H 1 7.318 0.001 . 2 . . . 1 A 21 ASN HD21 . 30009 1 222 . 1 1 21 21 ASN HD22 H 1 6.810 0.010 . 2 . . . 1 A 21 ASN HD22 . 30009 1 223 . 1 1 21 21 ASN N N 15 113.181 0.032 . 1 . . . 1 A 21 ASN N . 30009 1 224 . 1 1 21 21 ASN ND2 N 15 112.015 0.015 . 1 . . . 1 A 21 ASN ND2 . 30009 1 225 . 1 1 21 21 ASN HB2 H 1 2.517 0.002 . 2 . . . 1 A 21 ASN HB2 . 30009 1 226 . 1 1 21 21 ASN HB3 H 1 2.517 0.002 . 2 . . . 1 A 21 ASN HB3 . 30009 1 227 . 1 1 22 22 TYR C C 13 173.668 0.000 . 1 . . . 1 A 22 TYR C . 30009 1 228 . 1 1 22 22 TYR CA C 13 55.742 0.072 . 1 . . . 1 A 22 TYR CA . 30009 1 229 . 1 1 22 22 TYR CB C 13 42.036 0.055 . 1 . . . 1 A 22 TYR CB . 30009 1 230 . 1 1 22 22 TYR CD1 C 13 132.436 0.046 . 1 . . . 1 A 22 TYR CD1 . 30009 1 231 . 1 1 22 22 TYR CD2 C 13 132.436 0.046 . 1 . . . 1 A 22 TYR CD2 . 30009 1 232 . 1 1 22 22 TYR CE1 C 13 118.249 0.020 . 1 . . . 1 A 22 TYR CE1 . 30009 1 233 . 1 1 22 22 TYR CE2 C 13 118.249 0.020 . 1 . . . 1 A 22 TYR CE2 . 30009 1 234 . 1 1 22 22 TYR H H 1 8.835 0.001 . 1 . . . 1 A 22 TYR H . 30009 1 235 . 1 1 22 22 TYR HA H 1 5.341 0.006 . 1 . . . 1 A 22 TYR HA . 30009 1 236 . 1 1 22 22 TYR HB2 H 1 3.058 0.002 . 2 . . . 1 A 22 TYR HB2 . 30009 1 237 . 1 1 22 22 TYR HB3 H 1 2.913 0.007 . 2 . . . 1 A 22 TYR HB3 . 30009 1 238 . 1 1 22 22 TYR N N 15 119.029 0.027 . 1 . . . 1 A 22 TYR N . 30009 1 239 . 1 1 22 22 TYR HD1 H 1 6.795 0.008 . 3 . . . 1 A 22 TYR HD1 . 30009 1 240 . 1 1 22 22 TYR HD2 H 1 6.795 0.008 . 3 . . . 1 A 22 TYR HD2 . 30009 1 241 . 1 1 22 22 TYR HE1 H 1 6.717 0.008 . 3 . . . 1 A 22 TYR HE1 . 30009 1 242 . 1 1 22 22 TYR HE2 H 1 6.717 0.008 . 3 . . . 1 A 22 TYR HE2 . 30009 1 243 . 1 1 23 23 LYS C C 13 175.931 0.000 . 1 . . . 1 A 23 LYS C . 30009 1 244 . 1 1 23 23 LYS CA C 13 54.961 0.015 . 1 . . . 1 A 23 LYS CA . 30009 1 245 . 1 1 23 23 LYS CB C 13 37.073 0.045 . 1 . . . 1 A 23 LYS CB . 30009 1 246 . 1 1 23 23 LYS CD C 13 29.309 0.011 . 1 . . . 1 A 23 LYS CD . 30009 1 247 . 1 1 23 23 LYS CE C 13 42.229 0.000 . 1 . . . 1 A 23 LYS CE . 30009 1 248 . 1 1 23 23 LYS CG C 13 24.858 0.002 . 1 . . . 1 A 23 LYS CG . 30009 1 249 . 1 1 23 23 LYS H H 1 9.100 0.007 . 1 . . . 1 A 23 LYS H . 30009 1 250 . 1 1 23 23 LYS HA H 1 4.566 0.006 . 1 . . . 1 A 23 LYS HA . 30009 1 251 . 1 1 23 23 LYS HG2 H 1 1.394 0.008 . 2 . . . 1 A 23 LYS HG2 . 30009 1 252 . 1 1 23 23 LYS HG3 H 1 1.298 0.000 . 2 . . . 1 A 23 LYS HG3 . 30009 1 253 . 1 1 23 23 LYS N N 15 118.345 0.032 . 1 . . . 1 A 23 LYS N . 30009 1 254 . 1 1 23 23 LYS HB2 H 1 1.603 0.003 . 2 . . . 1 A 23 LYS HB2 . 30009 1 255 . 1 1 23 23 LYS HB3 H 1 1.603 0.003 . 2 . . . 1 A 23 LYS HB3 . 30009 1 256 . 1 1 23 23 LYS HD2 H 1 1.665 0.001 . 2 . . . 1 A 23 LYS HD2 . 30009 1 257 . 1 1 23 23 LYS HD3 H 1 1.665 0.001 . 2 . . . 1 A 23 LYS HD3 . 30009 1 258 . 1 1 23 23 LYS HE2 H 1 2.996 0.002 . 2 . . . 1 A 23 LYS HE2 . 30009 1 259 . 1 1 23 23 LYS HE3 H 1 2.996 0.002 . 2 . . . 1 A 23 LYS HE3 . 30009 1 260 . 1 1 24 24 CYS C C 13 174.442 0.000 . 1 . . . 1 A 24 CYS C . 30009 1 261 . 1 1 24 24 CYS CA C 13 56.790 0.027 . 1 . . . 1 A 24 CYS CA . 30009 1 262 . 1 1 24 24 CYS CB C 13 38.456 0.040 . 1 . . . 1 A 24 CYS CB . 30009 1 263 . 1 1 24 24 CYS H H 1 10.415 0.006 . 1 . . . 1 A 24 CYS H . 30009 1 264 . 1 1 24 24 CYS HA H 1 4.383 0.009 . 1 . . . 1 A 24 CYS HA . 30009 1 265 . 1 1 24 24 CYS HB2 H 1 2.496 0.004 . 2 . . . 1 A 24 CYS HB2 . 30009 1 266 . 1 1 24 24 CYS HB3 H 1 3.130 0.005 . 2 . . . 1 A 24 CYS HB3 . 30009 1 267 . 1 1 24 24 CYS N N 15 129.728 0.008 . 1 . . . 1 A 24 CYS N . 30009 1 268 . 1 1 25 25 SER C C 13 176.008 0.000 . 1 . . . 1 A 25 SER C . 30009 1 269 . 1 1 25 25 SER CA C 13 57.164 0.044 . 1 . . . 1 A 25 SER CA . 30009 1 270 . 1 1 25 25 SER CB C 13 63.608 0.091 . 1 . . . 1 A 25 SER CB . 30009 1 271 . 1 1 25 25 SER H H 1 7.762 0.005 . 1 . . . 1 A 25 SER H . 30009 1 272 . 1 1 25 25 SER HA H 1 4.439 0.003 . 1 . . . 1 A 25 SER HA . 30009 1 273 . 1 1 25 25 SER HB2 H 1 3.716 0.004 . 2 . . . 1 A 25 SER HB2 . 30009 1 274 . 1 1 25 25 SER HB3 H 1 3.936 0.010 . 2 . . . 1 A 25 SER HB3 . 30009 1 275 . 1 1 25 25 SER N N 15 124.172 0.025 . 1 . . . 1 A 25 SER N . 30009 1 276 . 1 1 26 26 SER C C 13 174.166 0.000 . 1 . . . 1 A 26 SER C . 30009 1 277 . 1 1 26 26 SER CA C 13 61.181 0.023 . 1 . . . 1 A 26 SER CA . 30009 1 278 . 1 1 26 26 SER CB C 13 62.709 0.045 . 1 . . . 1 A 26 SER CB . 30009 1 279 . 1 1 26 26 SER H H 1 8.945 0.006 . 1 . . . 1 A 26 SER H . 30009 1 280 . 1 1 26 26 SER HA H 1 3.988 0.002 . 1 . . . 1 A 26 SER HA . 30009 1 281 . 1 1 26 26 SER HB2 H 1 3.916 0.001 . 2 . . . 1 A 26 SER HB2 . 30009 1 282 . 1 1 26 26 SER HB3 H 1 3.838 0.001 . 2 . . . 1 A 26 SER HB3 . 30009 1 283 . 1 1 26 26 SER N N 15 125.468 0.023 . 1 . . . 1 A 26 SER N . 30009 1 284 . 1 1 27 27 LYS C C 13 176.882 0.000 . 1 . . . 1 A 27 LYS C . 30009 1 285 . 1 1 27 27 LYS CA C 13 57.681 0.056 . 1 . . . 1 A 27 LYS CA . 30009 1 286 . 1 1 27 27 LYS CB C 13 33.562 0.032 . 1 . . . 1 A 27 LYS CB . 30009 1 287 . 1 1 27 27 LYS CD C 13 28.900 0.000 . 1 . . . 1 A 27 LYS CD . 30009 1 288 . 1 1 27 27 LYS CE C 13 41.993 0.000 . 1 . . . 1 A 27 LYS CE . 30009 1 289 . 1 1 27 27 LYS CG C 13 24.550 0.000 . 1 . . . 1 A 27 LYS CG . 30009 1 290 . 1 1 27 27 LYS H H 1 7.645 0.010 . 1 . . . 1 A 27 LYS H . 30009 1 291 . 1 1 27 27 LYS HA H 1 4.183 0.003 . 1 . . . 1 A 27 LYS HA . 30009 1 292 . 1 1 27 27 LYS HB2 H 1 1.639 0.007 . 2 . . . 1 A 27 LYS HB2 . 30009 1 293 . 1 1 27 27 LYS HB3 H 1 1.498 0.001 . 2 . . . 1 A 27 LYS HB3 . 30009 1 294 . 1 1 27 27 LYS HG2 H 1 1.310 0.000 . 2 . . . 1 A 27 LYS HG2 . 30009 1 295 . 1 1 27 27 LYS HG3 H 1 1.238 0.001 . 2 . . . 1 A 27 LYS HG3 . 30009 1 296 . 1 1 27 27 LYS N N 15 119.237 0.024 . 1 . . . 1 A 27 LYS N . 30009 1 297 . 1 1 27 27 LYS HD2 H 1 1.554 0.000 . 2 . . . 1 A 27 LYS HD2 . 30009 1 298 . 1 1 27 27 LYS HD3 H 1 1.554 0.000 . 2 . . . 1 A 27 LYS HD3 . 30009 1 299 . 1 1 27 27 LYS HE2 H 1 2.930 0.000 . 2 . . . 1 A 27 LYS HE2 . 30009 1 300 . 1 1 27 27 LYS HE3 H 1 2.930 0.000 . 2 . . . 1 A 27 LYS HE3 . 30009 1 301 . 1 1 28 28 ASP C C 13 174.746 0.000 . 1 . . . 1 A 28 ASP C . 30009 1 302 . 1 1 28 28 ASP CA C 13 54.743 0.069 . 1 . . . 1 A 28 ASP CA . 30009 1 303 . 1 1 28 28 ASP CB C 13 41.719 0.053 . 1 . . . 1 A 28 ASP CB . 30009 1 304 . 1 1 28 28 ASP H H 1 7.329 0.009 . 1 . . . 1 A 28 ASP H . 30009 1 305 . 1 1 28 28 ASP HA H 1 4.413 0.007 . 1 . . . 1 A 28 ASP HA . 30009 1 306 . 1 1 28 28 ASP HB2 H 1 1.686 0.015 . 2 . . . 1 A 28 ASP HB2 . 30009 1 307 . 1 1 28 28 ASP HB3 H 1 1.413 0.012 . 2 . . . 1 A 28 ASP HB3 . 30009 1 308 . 1 1 28 28 ASP N N 15 114.522 0.013 . 1 . . . 1 A 28 ASP N . 30009 1 309 . 1 1 29 29 LEU C C 13 176.075 0.000 . 1 . . . 1 A 29 LEU C . 30009 1 310 . 1 1 29 29 LEU CA C 13 55.935 0.088 . 1 . . . 1 A 29 LEU CA . 30009 1 311 . 1 1 29 29 LEU CB C 13 37.259 0.000 . 1 . . . 1 A 29 LEU CB . 30009 1 312 . 1 1 29 29 LEU CD1 C 13 25.565 0.000 . 2 . . . 1 A 29 LEU CD1 . 30009 1 313 . 1 1 29 29 LEU CD2 C 13 23.560 0.021 . 2 . . . 1 A 29 LEU CD2 . 30009 1 314 . 1 1 29 29 LEU CG C 13 27.086 0.032 . 1 . . . 1 A 29 LEU CG . 30009 1 315 . 1 1 29 29 LEU H H 1 8.053 0.003 . 1 . . . 1 A 29 LEU H . 30009 1 316 . 1 1 29 29 LEU HA H 1 3.879 0.008 . 1 . . . 1 A 29 LEU HA . 30009 1 317 . 1 1 29 29 LEU HB2 H 1 2.053 0.000 . 2 . . . 1 A 29 LEU HB2 . 30009 1 318 . 1 1 29 29 LEU HB3 H 1 1.906 0.000 . 2 . . . 1 A 29 LEU HB3 . 30009 1 319 . 1 1 29 29 LEU HG H 1 1.311 0.001 . 1 . . . 1 A 29 LEU HG . 30009 1 320 . 1 1 29 29 LEU N N 15 113.893 0.010 . 1 . . . 1 A 29 LEU N . 30009 1 321 . 1 1 29 29 LEU HD11 H 1 0.880 0.006 . 2 . . . 1 A 29 LEU HD11 . 30009 1 322 . 1 1 29 29 LEU HD12 H 1 0.880 0.006 . 2 . . . 1 A 29 LEU HD12 . 30009 1 323 . 1 1 29 29 LEU HD13 H 1 0.880 0.006 . 2 . . . 1 A 29 LEU HD13 . 30009 1 324 . 1 1 29 29 LEU HD21 H 1 0.869 0.006 . 2 . . . 1 A 29 LEU HD21 . 30009 1 325 . 1 1 29 29 LEU HD22 H 1 0.869 0.006 . 2 . . . 1 A 29 LEU HD22 . 30009 1 326 . 1 1 29 29 LEU HD23 H 1 0.869 0.006 . 2 . . . 1 A 29 LEU HD23 . 30009 1 327 . 1 1 30 30 TRP C C 13 177.923 0.000 . 1 . . . 1 A 30 TRP C . 30009 1 328 . 1 1 30 30 TRP CA C 13 55.516 0.077 . 1 . . . 1 A 30 TRP CA . 30009 1 329 . 1 1 30 30 TRP CB C 13 31.705 0.076 . 1 . . . 1 A 30 TRP CB . 30009 1 330 . 1 1 30 30 TRP CD1 C 13 127.985 0.038 . 1 . . . 1 A 30 TRP CD1 . 30009 1 331 . 1 1 30 30 TRP CE3 C 13 122.069 0.000 . 1 . . . 1 A 30 TRP CE3 . 30009 1 332 . 1 1 30 30 TRP CH2 C 13 124.342 0.000 . 1 . . . 1 A 30 TRP CH2 . 30009 1 333 . 1 1 30 30 TRP CZ2 C 13 114.123 0.036 . 1 . . . 1 A 30 TRP CZ2 . 30009 1 334 . 1 1 30 30 TRP CZ3 C 13 121.411 0.000 . 1 . . . 1 A 30 TRP CZ3 . 30009 1 335 . 1 1 30 30 TRP H H 1 6.711 0.005 . 1 . . . 1 A 30 TRP H . 30009 1 336 . 1 1 30 30 TRP HA H 1 5.586 0.002 . 1 . . . 1 A 30 TRP HA . 30009 1 337 . 1 1 30 30 TRP HB2 H 1 2.913 0.000 . 2 . . . 1 A 30 TRP HB2 . 30009 1 338 . 1 1 30 30 TRP HB3 H 1 2.415 0.005 . 2 . . . 1 A 30 TRP HB3 . 30009 1 339 . 1 1 30 30 TRP HD1 H 1 6.848 0.002 . 1 . . . 1 A 30 TRP HD1 . 30009 1 340 . 1 1 30 30 TRP HE1 H 1 10.108 0.003 . 1 . . . 1 A 30 TRP HE1 . 30009 1 341 . 1 1 30 30 TRP HE3 H 1 7.123 0.009 . 1 . . . 1 A 30 TRP HE3 . 30009 1 342 . 1 1 30 30 TRP HH2 H 1 7.151 0.004 . 1 . . . 1 A 30 TRP HH2 . 30009 1 343 . 1 1 30 30 TRP HZ2 H 1 7.367 0.005 . 1 . . . 1 A 30 TRP HZ2 . 30009 1 344 . 1 1 30 30 TRP HZ3 H 1 6.722 0.011 . 1 . . . 1 A 30 TRP HZ3 . 30009 1 345 . 1 1 30 30 TRP N N 15 110.801 0.026 . 1 . . . 1 A 30 TRP N . 30009 1 346 . 1 1 30 30 TRP NE1 N 15 129.321 0.021 . 1 . . . 1 A 30 TRP NE1 . 30009 1 347 . 1 1 31 31 CYS C C 13 173.882 0.000 . 1 . . . 1 A 31 CYS C . 30009 1 348 . 1 1 31 31 CYS CA C 13 55.065 0.000 . 1 . . . 1 A 31 CYS CA . 30009 1 349 . 1 1 31 31 CYS CB C 13 39.110 0.016 . 1 . . . 1 A 31 CYS CB . 30009 1 350 . 1 1 31 31 CYS H H 1 8.261 0.007 . 1 . . . 1 A 31 CYS H . 30009 1 351 . 1 1 31 31 CYS HA H 1 4.600 0.012 . 1 . . . 1 A 31 CYS HA . 30009 1 352 . 1 1 31 31 CYS HB2 H 1 2.986 0.009 . 2 . . . 1 A 31 CYS HB2 . 30009 1 353 . 1 1 31 31 CYS HB3 H 1 2.530 0.009 . 2 . . . 1 A 31 CYS HB3 . 30009 1 354 . 1 1 31 31 CYS N N 15 117.961 0.012 . 1 . . . 1 A 31 CYS N . 30009 1 355 . 1 1 32 32 LYS C C 13 176.275 0.000 . 1 . . . 1 A 32 LYS C . 30009 1 356 . 1 1 32 32 LYS CA C 13 55.072 0.000 . 1 . . . 1 A 32 LYS CA . 30009 1 357 . 1 1 32 32 LYS CB C 13 35.700 0.000 . 1 . . . 1 A 32 LYS CB . 30009 1 358 . 1 1 32 32 LYS CD C 13 29.572 0.030 . 1 . . . 1 A 32 LYS CD . 30009 1 359 . 1 1 32 32 LYS CE C 13 41.751 0.004 . 1 . . . 1 A 32 LYS CE . 30009 1 360 . 1 1 32 32 LYS CG C 13 25.129 0.011 . 1 . . . 1 A 32 LYS CG . 30009 1 361 . 1 1 32 32 LYS H H 1 8.492 0.005 . 1 . . . 1 A 32 LYS H . 30009 1 362 . 1 1 32 32 LYS HA H 1 4.885 0.004 . 1 . . . 1 A 32 LYS HA . 30009 1 363 . 1 1 32 32 LYS HB2 H 1 1.992 0.001 . 2 . . . 1 A 32 LYS HB2 . 30009 1 364 . 1 1 32 32 LYS HB3 H 1 1.762 0.006 . 2 . . . 1 A 32 LYS HB3 . 30009 1 365 . 1 1 32 32 LYS HD2 H 1 1.530 0.001 . 2 . . . 1 A 32 LYS HD2 . 30009 1 366 . 1 1 32 32 LYS HD3 H 1 1.421 0.006 . 2 . . . 1 A 32 LYS HD3 . 30009 1 367 . 1 1 32 32 LYS HE2 H 1 2.465 0.006 . 2 . . . 1 A 32 LYS HE2 . 30009 1 368 . 1 1 32 32 LYS HE3 H 1 2.334 0.005 . 2 . . . 1 A 32 LYS HE3 . 30009 1 369 . 1 1 32 32 LYS HG2 H 1 1.216 0.005 . 2 . . . 1 A 32 LYS HG2 . 30009 1 370 . 1 1 32 32 LYS HG3 H 1 1.010 0.001 . 2 . . . 1 A 32 LYS HG3 . 30009 1 371 . 1 1 32 32 LYS N N 15 125.139 0.043 . 1 . . . 1 A 32 LYS N . 30009 1 372 . 1 1 33 33 TYR C C 13 176.789 0.000 . 1 . . . 1 A 33 TYR C . 30009 1 373 . 1 1 33 33 TYR CA C 13 60.215 0.099 . 1 . . . 1 A 33 TYR CA . 30009 1 374 . 1 1 33 33 TYR CB C 13 38.515 0.061 . 1 . . . 1 A 33 TYR CB . 30009 1 375 . 1 1 33 33 TYR CD1 C 13 133.099 0.046 . 1 . . . 1 A 33 TYR CD1 . 30009 1 376 . 1 1 33 33 TYR CD2 C 13 133.099 0.046 . 1 . . . 1 A 33 TYR CD2 . 30009 1 377 . 1 1 33 33 TYR CE1 C 13 118.488 0.024 . 1 . . . 1 A 33 TYR CE1 . 30009 1 378 . 1 1 33 33 TYR CE2 C 13 118.488 0.024 . 1 . . . 1 A 33 TYR CE2 . 30009 1 379 . 1 1 33 33 TYR H H 1 8.457 0.002 . 1 . . . 1 A 33 TYR H . 30009 1 380 . 1 1 33 33 TYR HA H 1 4.482 0.007 . 1 . . . 1 A 33 TYR HA . 30009 1 381 . 1 1 33 33 TYR HB2 H 1 3.130 0.006 . 2 . . . 1 A 33 TYR HB2 . 30009 1 382 . 1 1 33 33 TYR HB3 H 1 2.898 0.010 . 2 . . . 1 A 33 TYR HB3 . 30009 1 383 . 1 1 33 33 TYR N N 15 120.544 0.026 . 1 . . . 1 A 33 TYR N . 30009 1 384 . 1 1 33 33 TYR HD1 H 1 7.101 0.007 . 3 . . . 1 A 33 TYR HD1 . 30009 1 385 . 1 1 33 33 TYR HD2 H 1 7.101 0.007 . 3 . . . 1 A 33 TYR HD2 . 30009 1 386 . 1 1 33 33 TYR HE1 H 1 6.620 0.002 . 3 . . . 1 A 33 TYR HE1 . 30009 1 387 . 1 1 33 33 TYR HE2 H 1 6.620 0.002 . 3 . . . 1 A 33 TYR HE2 . 30009 1 388 . 1 1 34 34 LYS C C 13 175.064 0.000 . 1 . . . 1 A 34 LYS C . 30009 1 389 . 1 1 34 34 LYS CA C 13 57.323 0.044 . 1 . . . 1 A 34 LYS CA . 30009 1 390 . 1 1 34 34 LYS CB C 13 33.098 0.037 . 1 . . . 1 A 34 LYS CB . 30009 1 391 . 1 1 34 34 LYS CD C 13 29.583 0.000 . 1 . . . 1 A 34 LYS CD . 30009 1 392 . 1 1 34 34 LYS CE C 13 41.949 0.000 . 1 . . . 1 A 34 LYS CE . 30009 1 393 . 1 1 34 34 LYS CG C 13 25.229 0.015 . 1 . . . 1 A 34 LYS CG . 30009 1 394 . 1 1 34 34 LYS H H 1 8.298 0.005 . 1 . . . 1 A 34 LYS H . 30009 1 395 . 1 1 34 34 LYS HA H 1 3.952 0.006 . 1 . . . 1 A 34 LYS HA . 30009 1 396 . 1 1 34 34 LYS HB2 H 1 1.456 0.001 . 2 . . . 1 A 34 LYS HB2 . 30009 1 397 . 1 1 34 34 LYS HB3 H 1 1.375 0.001 . 2 . . . 1 A 34 LYS HB3 . 30009 1 398 . 1 1 34 34 LYS HD2 H 1 1.446 0.001 . 2 . . . 1 A 34 LYS HD2 . 30009 1 399 . 1 1 34 34 LYS HD3 H 1 1.398 0.001 . 2 . . . 1 A 34 LYS HD3 . 30009 1 400 . 1 1 34 34 LYS HE2 H 1 2.729 0.000 . 2 . . . 1 A 34 LYS HE2 . 30009 1 401 . 1 1 34 34 LYS HE3 H 1 2.624 0.001 . 2 . . . 1 A 34 LYS HE3 . 30009 1 402 . 1 1 34 34 LYS N N 15 124.857 0.011 . 1 . . . 1 A 34 LYS N . 30009 1 403 . 1 1 34 34 LYS HG2 H 1 0.963 0.007 . 2 . . . 1 A 34 LYS HG2 . 30009 1 404 . 1 1 34 34 LYS HG3 H 1 0.963 0.007 . 2 . . . 1 A 34 LYS HG3 . 30009 1 405 . 1 1 35 35 ILE C C 13 174.942 0.000 . 1 . . . 1 A 35 ILE C . 30009 1 406 . 1 1 35 35 ILE CA C 13 60.978 0.020 . 1 . . . 1 A 35 ILE CA . 30009 1 407 . 1 1 35 35 ILE CB C 13 38.730 0.007 . 1 . . . 1 A 35 ILE CB . 30009 1 408 . 1 1 35 35 ILE CD1 C 13 12.882 0.000 . 1 . . . 1 A 35 ILE CD1 . 30009 1 409 . 1 1 35 35 ILE CG1 C 13 27.072 0.062 . 1 . . . 1 A 35 ILE CG1 . 30009 1 410 . 1 1 35 35 ILE CG2 C 13 17.515 0.000 . 1 . . . 1 A 35 ILE CG2 . 30009 1 411 . 1 1 35 35 ILE H H 1 7.799 0.007 . 1 . . . 1 A 35 ILE H . 30009 1 412 . 1 1 35 35 ILE HA H 1 4.099 0.001 . 1 . . . 1 A 35 ILE HA . 30009 1 413 . 1 1 35 35 ILE HB H 1 1.768 0.004 . 1 . . . 1 A 35 ILE HB . 30009 1 414 . 1 1 35 35 ILE HG12 H 1 1.347 0.001 . 2 . . . 1 A 35 ILE HG12 . 30009 1 415 . 1 1 35 35 ILE HG13 H 1 1.076 0.000 . 2 . . . 1 A 35 ILE HG13 . 30009 1 416 . 1 1 35 35 ILE N N 15 121.753 0.027 . 1 . . . 1 A 35 ILE N . 30009 1 417 . 1 1 35 35 ILE HD11 H 1 0.814 0.001 . 1 . . . 1 A 35 ILE HD11 . 30009 1 418 . 1 1 35 35 ILE HD12 H 1 0.814 0.001 . 1 . . . 1 A 35 ILE HD12 . 30009 1 419 . 1 1 35 35 ILE HD13 H 1 0.814 0.001 . 1 . . . 1 A 35 ILE HD13 . 30009 1 420 . 1 1 35 35 ILE HG21 H 1 0.811 0.001 . 1 . . . 1 A 35 ILE HG21 . 30009 1 421 . 1 1 35 35 ILE HG22 H 1 0.811 0.001 . 1 . . . 1 A 35 ILE HG22 . 30009 1 422 . 1 1 35 35 ILE HG23 H 1 0.811 0.001 . 1 . . . 1 A 35 ILE HG23 . 30009 1 423 . 1 1 36 36 TRP CA C 13 58.606 0.048 . 1 . . . 1 A 36 TRP CA . 30009 1 424 . 1 1 36 36 TRP CB C 13 30.261 0.021 . 1 . . . 1 A 36 TRP CB . 30009 1 425 . 1 1 36 36 TRP CD1 C 13 127.042 0.007 . 1 . . . 1 A 36 TRP CD1 . 30009 1 426 . 1 1 36 36 TRP CE3 C 13 122.131 0.000 . 1 . . . 1 A 36 TRP CE3 . 30009 1 427 . 1 1 36 36 TRP CH2 C 13 124.342 0.000 . 1 . . . 1 A 36 TRP CH2 . 30009 1 428 . 1 1 36 36 TRP CZ2 C 13 114.667 0.001 . 1 . . . 1 A 36 TRP CZ2 . 30009 1 429 . 1 1 36 36 TRP CZ3 C 13 121.110 0.000 . 1 . . . 1 A 36 TRP CZ3 . 30009 1 430 . 1 1 36 36 TRP H H 1 7.701 0.003 . 1 . . . 1 A 36 TRP H . 30009 1 431 . 1 1 36 36 TRP HA H 1 4.463 0.001 . 1 . . . 1 A 36 TRP HA . 30009 1 432 . 1 1 36 36 TRP HB2 H 1 3.299 0.000 . 2 . . . 1 A 36 TRP HB2 . 30009 1 433 . 1 1 36 36 TRP HB3 H 1 3.140 0.002 . 2 . . . 1 A 36 TRP HB3 . 30009 1 434 . 1 1 36 36 TRP HD1 H 1 7.204 0.003 . 1 . . . 1 A 36 TRP HD1 . 30009 1 435 . 1 1 36 36 TRP HE1 H 1 10.057 0.003 . 1 . . . 1 A 36 TRP HE1 . 30009 1 436 . 1 1 36 36 TRP HE3 H 1 7.655 0.004 . 1 . . . 1 A 36 TRP HE3 . 30009 1 437 . 1 1 36 36 TRP HH2 H 1 7.150 0.000 . 1 . . . 1 A 36 TRP HH2 . 30009 1 438 . 1 1 36 36 TRP HZ2 H 1 7.471 0.002 . 1 . . . 1 A 36 TRP HZ2 . 30009 1 439 . 1 1 36 36 TRP HZ3 H 1 7.133 0.011 . 1 . . . 1 A 36 TRP HZ3 . 30009 1 440 . 1 1 36 36 TRP N N 15 130.135 0.005 . 1 . . . 1 A 36 TRP N . 30009 1 441 . 1 1 36 36 TRP NE1 N 15 128.753 0.009 . 1 . . . 1 A 36 TRP NE1 . 30009 1 stop_ save_