################################### # 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 16010 _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 0.001 _Assigned_chem_shift_list.Chem_shift_13C_err 0.01 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 2 '2D 1H-15N HSQC' . . . 16010 1 4 '3D HNCO' . . . 16010 1 5 '3D HNCA' . . . 16010 1 6 '3D HNCACB' . . . 16010 1 7 '3D HN(CO)CA' . . . 16010 1 8 '3D CBCA(CO)NH' . . . 16010 1 9 '3D HNHA' . . . 16010 1 10 '3D HACANH' . . . 16010 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 2 $SPARKY . . 16010 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 LYS HA H 1 4.139 0.001 . 1 . . . . 1 LYS HA . 16010 1 2 . 1 1 1 1 LYS C C 13 172.4 0.1 . 1 . . . . 1 LYS C . 16010 1 3 . 1 1 1 1 LYS CA C 13 55.78 0.01 . 1 . . . . 1 LYS CA . 16010 1 4 . 1 1 1 1 LYS CB C 13 33.22 0.01 . 1 . . . . 1 LYS CB . 16010 1 5 . 1 1 2 2 GLU H H 1 8.731 0.001 . 1 . . . . 2 GLU H . 16010 1 6 . 1 1 2 2 GLU HA H 1 4.599 0.001 . 1 . . . . 2 GLU HA . 16010 1 7 . 1 1 2 2 GLU C C 13 175.7 0.1 . 1 . . . . 2 GLU C . 16010 1 8 . 1 1 2 2 GLU CA C 13 55.81 0.01 . 1 . . . . 2 GLU CA . 16010 1 9 . 1 1 2 2 GLU CB C 13 29.31 0.01 . 1 . . . . 2 GLU CB . 16010 1 10 . 1 1 2 2 GLU N N 15 122.9 0.1 . 1 . . . . 2 GLU N . 16010 1 11 . 1 1 3 3 THR H H 1 8.207 0.001 . 1 . . . . 3 THR H . 16010 1 12 . 1 1 3 3 THR HA H 1 4.452 0.001 . 1 . . . . 3 THR HA . 16010 1 13 . 1 1 3 3 THR C C 13 174.4 0.1 . 1 . . . . 3 THR C . 16010 1 14 . 1 1 3 3 THR CA C 13 61.41 0.01 . 1 . . . . 3 THR CA . 16010 1 15 . 1 1 3 3 THR CB C 13 70.40 0.01 . 1 . . . . 3 THR CB . 16010 1 16 . 1 1 3 3 THR N N 15 115.4 0.1 . 1 . . . . 3 THR N . 16010 1 17 . 1 1 4 4 ALA H H 1 8.426 0.001 . 1 . . . . 4 ALA H . 16010 1 18 . 1 1 4 4 ALA HA H 1 4.293 0.001 . 1 . . . . 4 ALA HA . 16010 1 19 . 1 1 4 4 ALA C C 13 178.0 0.1 . 1 . . . . 4 ALA C . 16010 1 20 . 1 1 4 4 ALA CA C 13 53.50 0.01 . 1 . . . . 4 ALA CA . 16010 1 21 . 1 1 4 4 ALA CB C 13 18.81 0.01 . 1 . . . . 4 ALA CB . 16010 1 22 . 1 1 4 4 ALA N N 15 125.2 0.1 . 1 . . . . 4 ALA N . 16010 1 23 . 1 1 5 5 ALA H H 1 8.147 0.001 . 1 . . . . 5 ALA H . 16010 1 24 . 1 1 5 5 ALA HA H 1 4.278 0.001 . 1 . . . . 5 ALA HA . 16010 1 25 . 1 1 5 5 ALA C C 13 178.2 0.1 . 1 . . . . 5 ALA C . 16010 1 26 . 1 1 5 5 ALA CA C 13 53.50 0.01 . 1 . . . . 5 ALA CA . 16010 1 27 . 1 1 5 5 ALA CB C 13 18.85 0.01 . 1 . . . . 5 ALA CB . 16010 1 28 . 1 1 5 5 ALA N N 15 121.3 0.1 . 1 . . . . 5 ALA N . 16010 1 29 . 1 1 6 6 ALA H H 1 7.965 0.001 . 1 . . . . 6 ALA H . 16010 1 30 . 1 1 6 6 ALA HA H 1 4.242 0.001 . 1 . . . . 6 ALA HA . 16010 1 31 . 1 1 6 6 ALA C C 13 178.6 0.1 . 1 . . . . 6 ALA C . 16010 1 32 . 1 1 6 6 ALA CA C 13 53.62 0.01 . 1 . . . . 6 ALA CA . 16010 1 33 . 1 1 6 6 ALA CB C 13 18.86 0.01 . 1 . . . . 6 ALA CB . 16010 1 34 . 1 1 6 6 ALA N N 15 121.6 0.1 . 1 . . . . 6 ALA N . 16010 1 35 . 1 1 7 7 LYS H H 1 7.986 0.001 . 1 . . . . 7 LYS H . 16010 1 36 . 1 1 7 7 LYS HA H 1 4.151 0.001 . 1 . . . . 7 LYS HA . 16010 1 37 . 1 1 7 7 LYS C C 13 177.1 0.1 . 1 . . . . 7 LYS C . 16010 1 38 . 1 1 7 7 LYS CA C 13 57.80 0.01 . 1 . . . . 7 LYS CA . 16010 1 39 . 1 1 7 7 LYS CB C 13 32.77 0.01 . 1 . . . . 7 LYS CB . 16010 1 40 . 1 1 7 7 LYS N N 15 118.6 0.1 . 1 . . . . 7 LYS N . 16010 1 41 . 1 1 8 8 PHE H H 1 8.014 0.001 . 1 . . . . 8 PHE H . 16010 1 42 . 1 1 8 8 PHE HA H 1 4.579 0.001 . 1 . . . . 8 PHE HA . 16010 1 43 . 1 1 8 8 PHE C C 13 176.7 0.1 . 1 . . . . 8 PHE C . 16010 1 44 . 1 1 8 8 PHE CA C 13 58.79 0.01 . 1 . . . . 8 PHE CA . 16010 1 45 . 1 1 8 8 PHE CB C 13 39.31 0.01 . 1 . . . . 8 PHE CB . 16010 1 46 . 1 1 8 8 PHE N N 15 118.9 0.1 . 1 . . . . 8 PHE N . 16010 1 47 . 1 1 9 9 GLU H H 1 8.148 0.001 . 1 . . . . 9 GLU H . 16010 1 48 . 1 1 9 9 GLU HA H 1 4.319 0.001 . 1 . . . . 9 GLU HA . 16010 1 49 . 1 1 9 9 GLU C C 13 176.7 0.1 . 1 . . . . 9 GLU C . 16010 1 50 . 1 1 9 9 GLU CA C 13 58.67 0.01 . 1 . . . . 9 GLU CA . 16010 1 51 . 1 1 9 9 GLU CB C 13 28.68 0.01 . 1 . . . . 9 GLU CB . 16010 1 52 . 1 1 9 9 GLU N N 15 120.4 0.1 . 1 . . . . 9 GLU N . 16010 1 53 . 1 1 10 10 ARG H H 1 8.181 0.001 . 1 . . . . 10 ARG H . 16010 1 54 . 1 1 10 10 ARG HA H 1 4.274 0.001 . 1 . . . . 10 ARG HA . 16010 1 55 . 1 1 10 10 ARG C C 13 176.8 0.1 . 1 . . . . 10 ARG C . 16010 1 56 . 1 1 10 10 ARG CA C 13 57.17 0.01 . 1 . . . . 10 ARG CA . 16010 1 57 . 1 1 10 10 ARG CB C 13 30.47 0.01 . 1 . . . . 10 ARG CB . 16010 1 58 . 1 1 10 10 ARG N N 15 120.5 0.1 . 1 . . . . 10 ARG N . 16010 1 59 . 1 1 11 11 GLN H H 1 8.172 0.001 . 1 . . . . 11 GLN H . 16010 1 60 . 1 1 11 11 GLN HA H 1 4.279 0.001 . 1 . . . . 11 GLN HA . 16010 1 61 . 1 1 11 11 GLN C C 13 176.2 0.1 . 1 . . . . 11 GLN C . 16010 1 62 . 1 1 11 11 GLN CA C 13 56.66 0.01 . 1 . . . . 11 GLN CA . 16010 1 63 . 1 1 11 11 GLN CB C 13 29.30 0.01 . 1 . . . . 11 GLN CB . 16010 1 64 . 1 1 11 11 GLN N N 15 119.0 0.1 . 1 . . . . 11 GLN N . 16010 1 65 . 1 1 12 12 HIS H H 1 8.284 0.001 . 1 . . . . 12 HIS H . 16010 1 66 . 1 1 12 12 HIS HA H 1 4.687 0.001 . 1 . . . . 12 HIS HA . 16010 1 67 . 1 1 12 12 HIS C C 13 174.5 0.1 . 1 . . . . 12 HIS C . 16010 1 68 . 1 1 12 12 HIS CA C 13 55.84 0.01 . 1 . . . . 12 HIS CA . 16010 1 69 . 1 1 12 12 HIS CB C 13 28.74 0.01 . 1 . . . . 12 HIS CB . 16010 1 70 . 1 1 12 12 HIS N N 15 117.8 0.1 . 1 . . . . 12 HIS N . 16010 1 71 . 1 1 13 13 MET H H 1 8.236 0.001 . 1 . . . . 13 MET H . 16010 1 72 . 1 1 13 13 MET HA H 1 4.489 0.001 . 1 . . . . 13 MET HA . 16010 1 73 . 1 1 13 13 MET C C 13 176.0 0.1 . 1 . . . . 13 MET C . 16010 1 74 . 1 1 13 13 MET CA C 13 56.12 0.01 . 1 . . . . 13 MET CA . 16010 1 75 . 1 1 13 13 MET CB C 13 33.01 0.01 . 1 . . . . 13 MET CB . 16010 1 76 . 1 1 13 13 MET N N 15 120.7 0.1 . 1 . . . . 13 MET N . 16010 1 77 . 1 1 14 14 ASP H H 1 8.424 0.001 . 1 . . . . 14 ASP H . 16010 1 78 . 1 1 14 14 ASP HA H 1 4.801 0.001 . 1 . . . . 14 ASP HA . 16010 1 79 . 1 1 14 14 ASP C C 13 175.3 0.1 . 1 . . . . 14 ASP C . 16010 1 80 . 1 1 14 14 ASP CA C 13 53.35 0.01 . 1 . . . . 14 ASP CA . 16010 1 81 . 1 1 14 14 ASP CB C 13 38.39 0.01 . 1 . . . . 14 ASP CB . 16010 1 82 . 1 1 14 14 ASP N N 15 119.8 0.1 . 1 . . . . 14 ASP N . 16010 1 83 . 1 1 15 15 SER H H 1 8.219 0.001 . 1 . . . . 15 SER H . 16010 1 84 . 1 1 15 15 SER HA H 1 4.546 0.001 . 1 . . . . 15 SER HA . 16010 1 85 . 1 1 15 15 SER C C 13 174.8 0.1 . 1 . . . . 15 SER C . 16010 1 86 . 1 1 15 15 SER CA C 13 58.73 0.01 . 1 . . . . 15 SER CA . 16010 1 87 . 1 1 15 15 SER CB C 13 63.86 0.01 . 1 . . . . 15 SER CB . 16010 1 88 . 1 1 15 15 SER N N 15 115.8 0.1 . 1 . . . . 15 SER N . 16010 1 89 . 1 1 16 16 SER H H 1 8.281 0.001 . 1 . . . . 16 SER H . 16010 1 90 . 1 1 16 16 SER HA H 1 4.577 0.001 . 1 . . . . 16 SER HA . 16010 1 91 . 1 1 16 16 SER C C 13 175.1 0.1 . 1 . . . . 16 SER C . 16010 1 92 . 1 1 16 16 SER CA C 13 58.99 0.01 . 1 . . . . 16 SER CA . 16010 1 93 . 1 1 16 16 SER CB C 13 63.75 0.01 . 1 . . . . 16 SER CB . 16010 1 94 . 1 1 16 16 SER N N 15 117.2 0.1 . 1 . . . . 16 SER N . 16010 1 95 . 1 1 17 17 THR H H 1 8.098 0.001 . 1 . . . . 17 THR H . 16010 1 96 . 1 1 17 17 THR HA H 1 4.436 0.001 . 1 . . . . 17 THR HA . 16010 1 97 . 1 1 17 17 THR C C 13 175.0 0.1 . 1 . . . . 17 THR C . 16010 1 98 . 1 1 17 17 THR CA C 13 62.38 0.01 . 1 . . . . 17 THR CA . 16010 1 99 . 1 1 17 17 THR CB C 13 69.61 0.01 . 1 . . . . 17 THR CB . 16010 1 100 . 1 1 17 17 THR N N 15 114.8 0.1 . 1 . . . . 17 THR N . 16010 1 101 . 1 1 18 18 SER H H 1 8.189 0.001 . 1 . . . . 18 SER H . 16010 1 102 . 1 1 18 18 SER HA H 1 4.504 0.001 . 1 . . . . 18 SER HA . 16010 1 103 . 1 1 18 18 SER C C 13 175.0 0.1 . 1 . . . . 18 SER C . 16010 1 104 . 1 1 18 18 SER CA C 13 58.92 0.01 . 1 . . . . 18 SER CA . 16010 1 105 . 1 1 18 18 SER CB C 13 63.85 0.01 . 1 . . . . 18 SER CB . 16010 1 106 . 1 1 18 18 SER N N 15 117.4 0.1 . 1 . . . . 18 SER N . 16010 1 107 . 1 1 19 19 ALA H H 1 8.257 0.001 . 1 . . . . 19 ALA H . 16010 1 108 . 1 1 19 19 ALA HA H 1 4.341 0.001 . 1 . . . . 19 ALA HA . 16010 1 109 . 1 1 19 19 ALA C C 13 178.1 0.1 . 1 . . . . 19 ALA C . 16010 1 110 . 1 1 19 19 ALA CA C 13 53.44 0.01 . 1 . . . . 19 ALA CA . 16010 1 111 . 1 1 19 19 ALA CB C 13 18.85 0.01 . 1 . . . . 19 ALA CB . 16010 1 112 . 1 1 19 19 ALA N N 15 125.5 0.1 . 1 . . . . 19 ALA N . 16010 1 113 . 1 1 20 20 ALA H H 1 8.100 0.001 . 1 . . . . 20 ALA H . 16010 1 114 . 1 1 20 20 ALA HA H 1 4.336 0.001 . 1 . . . . 20 ALA HA . 16010 1 115 . 1 1 20 20 ALA C C 13 178.3 0.1 . 1 . . . . 20 ALA C . 16010 1 116 . 1 1 20 20 ALA CA C 13 53.28 0.01 . 1 . . . . 20 ALA CA . 16010 1 117 . 1 1 20 20 ALA CB C 13 18.86 0.01 . 1 . . . . 20 ALA CB . 16010 1 118 . 1 1 20 20 ALA N N 15 121.5 0.1 . 1 . . . . 20 ALA N . 16010 1 119 . 1 1 21 21 SER H H 1 8.085 0.001 . 1 . . . . 21 SER H . 16010 1 120 . 1 1 21 21 SER HA H 1 4.500 0.001 . 1 . . . . 21 SER HA . 16010 1 121 . 1 1 21 21 SER C C 13 175.4 0.1 . 1 . . . . 21 SER C . 16010 1 122 . 1 1 21 21 SER CA C 13 59.18 0.01 . 1 . . . . 21 SER CA . 16010 1 123 . 1 1 21 21 SER CB C 13 63.82 0.01 . 1 . . . . 21 SER CB . 16010 1 124 . 1 1 21 21 SER N N 15 113.7 0.1 . 1 . . . . 21 SER N . 16010 1 125 . 1 1 22 22 SER H H 1 8.218 0.001 . 1 . . . . 22 SER H . 16010 1 126 . 1 1 22 22 SER HA H 1 4.520 0.001 . 1 . . . . 22 SER HA . 16010 1 127 . 1 1 22 22 SER C C 13 175.6 0.1 . 1 . . . . 22 SER C . 16010 1 128 . 1 1 22 22 SER CA C 13 59.43 0.01 . 1 . . . . 22 SER CA . 16010 1 129 . 1 1 22 22 SER CB C 13 63.69 0.01 . 1 . . . . 22 SER CB . 16010 1 130 . 1 1 22 22 SER N N 15 117.2 0.1 . 1 . . . . 22 SER N . 16010 1 131 . 1 1 23 23 SER H H 1 8.201 0.001 . 1 . . . . 23 SER H . 16010 1 132 . 1 1 23 23 SER HA H 1 4.469 0.001 . 1 . . . . 23 SER HA . 16010 1 133 . 1 1 23 23 SER C C 13 175.0 0.1 . 1 . . . . 23 SER C . 16010 1 134 . 1 1 23 23 SER CA C 13 59.53 0.01 . 1 . . . . 23 SER CA . 16010 1 135 . 1 1 23 23 SER CB C 13 63.58 0.01 . 1 . . . . 23 SER CB . 16010 1 136 . 1 1 23 23 SER N N 15 117.0 0.1 . 1 . . . . 23 SER N . 16010 1 137 . 1 1 24 24 ASN H H 1 8.272 0.001 . 1 . . . . 24 ASN H . 16010 1 138 . 1 1 24 24 ASN HA H 1 4.736 0.001 . 1 . . . . 24 ASN HA . 16010 1 139 . 1 1 24 24 ASN C C 13 176.1 0.1 . 1 . . . . 24 ASN C . 16010 1 140 . 1 1 24 24 ASN CA C 13 54.60 0.01 . 1 . . . . 24 ASN CA . 16010 1 141 . 1 1 24 24 ASN CB C 13 38.73 0.01 . 1 . . . . 24 ASN CB . 16010 1 142 . 1 1 24 24 ASN N N 15 120.5 0.1 . 1 . . . . 24 ASN N . 16010 1 143 . 1 1 25 25 TYR H H 1 8.192 0.001 . 1 . . . . 25 TYR H . 16010 1 144 . 1 1 25 25 TYR HA H 1 4.392 0.001 . 1 . . . . 25 TYR HA . 16010 1 145 . 1 1 25 25 TYR C C 13 177.1 0.1 . 1 . . . . 25 TYR C . 16010 1 146 . 1 1 25 25 TYR CA C 13 60.57 0.01 . 1 . . . . 25 TYR CA . 16010 1 147 . 1 1 25 25 TYR CB C 13 38.51 0.01 . 1 . . . . 25 TYR CB . 16010 1 148 . 1 1 25 25 TYR N N 15 120.7 0.1 . 1 . . . . 25 TYR N . 16010 1 149 . 1 1 26 26 CYS H H 1 8.394 0.001 . 1 . . . . 26 CYS H . 16010 1 150 . 1 1 26 26 CYS HA H 1 4.492 0.001 . 1 . . . . 26 CYS HA . 16010 1 151 . 1 1 26 26 CYS C C 13 176.0 0.1 . 1 . . . . 26 CYS C . 16010 1 152 . 1 1 26 26 CYS CA C 13 57.20 0.01 . 1 . . . . 26 CYS CA . 16010 1 153 . 1 1 26 26 CYS N N 15 117.4 0.1 . 1 . . . . 26 CYS N . 16010 1 154 . 1 1 27 27 ASN H H 1 8.316 0.001 . 1 . . . . 27 ASN H . 16010 1 155 . 1 1 27 27 ASN CA C 13 55.49 0.01 . 1 . . . . 27 ASN CA . 16010 1 156 . 1 1 27 27 ASN CB C 13 38.43 0.01 . 1 . . . . 27 ASN CB . 16010 1 157 . 1 1 27 27 ASN N N 15 119.2 0.1 . 1 . . . . 27 ASN N . 16010 1 158 . 1 1 29 29 MET C C 13 177.9 0.1 . 1 . . . . 29 MET C . 16010 1 159 . 1 1 29 29 MET CA C 13 57.35 0.01 . 1 . . . . 29 MET CA . 16010 1 160 . 1 1 29 29 MET CB C 13 32.03 0.01 . 1 . . . . 29 MET CB . 16010 1 161 . 1 1 30 30 MET H H 1 8.075 0.001 . 1 . . . . 30 MET H . 16010 1 162 . 1 1 30 30 MET HA H 1 4.403 0.001 . 1 . . . . 30 MET HA . 16010 1 163 . 1 1 30 30 MET C C 13 177.5 0.1 . 1 . . . . 30 MET C . 16010 1 164 . 1 1 30 30 MET CA C 13 57.06 0.01 . 1 . . . . 30 MET CA . 16010 1 165 . 1 1 30 30 MET CB C 13 32.42 0.01 . 1 . . . . 30 MET CB . 16010 1 166 . 1 1 30 30 MET N N 15 118.5 0.1 . 1 . . . . 30 MET N . 16010 1 167 . 1 1 31 31 LYS H H 1 7.921 0.001 . 1 . . . . 31 LYS H . 16010 1 168 . 1 1 31 31 LYS HA H 1 4.253 0.001 . 1 . . . . 31 LYS HA . 16010 1 169 . 1 1 31 31 LYS C C 13 177.4 0.1 . 1 . . . . 31 LYS C . 16010 1 170 . 1 1 31 31 LYS CA C 13 57.86 0.01 . 1 . . . . 31 LYS CA . 16010 1 171 . 1 1 31 31 LYS CB C 13 32.66 0.01 . 1 . . . . 31 LYS CB . 16010 1 172 . 1 1 31 31 LYS N N 15 119.4 0.1 . 1 . . . . 31 LYS N . 16010 1 173 . 1 1 32 32 SER H H 1 7.954 0.001 . 1 . . . . 32 SER H . 16010 1 174 . 1 1 32 32 SER HA H 1 4.425 0.001 . 1 . . . . 32 SER HA . 16010 1 175 . 1 1 32 32 SER C C 13 175.3 0.1 . 1 . . . . 32 SER C . 16010 1 176 . 1 1 32 32 SER CA C 13 59.47 0.01 . 1 . . . . 32 SER CA . 16010 1 177 . 1 1 32 32 SER CB C 13 63.77 0.01 . 1 . . . . 32 SER CB . 16010 1 178 . 1 1 32 32 SER N N 15 114.1 0.1 . 1 . . . . 32 SER N . 16010 1 179 . 1 1 33 33 ARG H H 1 8.111 0.001 . 1 . . . . 33 ARG H . 16010 1 180 . 1 1 33 33 ARG HA H 1 4.326 0.001 . 1 . . . . 33 ARG HA . 16010 1 181 . 1 1 33 33 ARG C C 13 176.4 0.1 . 1 . . . . 33 ARG C . 16010 1 182 . 1 1 33 33 ARG CA C 13 57.09 0.01 . 1 . . . . 33 ARG CA . 16010 1 183 . 1 1 33 33 ARG CB C 13 30.39 0.01 . 1 . . . . 33 ARG CB . 16010 1 184 . 1 1 33 33 ARG N N 15 121.6 0.1 . 1 . . . . 33 ARG N . 16010 1 185 . 1 1 34 34 ASN H H 1 8.239 0.001 . 1 . . . . 34 ASN H . 16010 1 186 . 1 1 34 34 ASN HA H 1 4.705 0.001 . 1 . . . . 34 ASN HA . 16010 1 187 . 1 1 34 34 ASN C C 13 175.6 0.1 . 1 . . . . 34 ASN C . 16010 1 188 . 1 1 34 34 ASN CA C 13 53.93 0.01 . 1 . . . . 34 ASN CA . 16010 1 189 . 1 1 34 34 ASN CB C 13 38.59 0.01 . 1 . . . . 34 ASN CB . 16010 1 190 . 1 1 34 34 ASN N N 15 117.9 0.1 . 1 . . . . 34 ASN N . 16010 1 191 . 1 1 35 35 LEU H H 1 8.056 0.001 . 1 . . . . 35 LEU H . 16010 1 192 . 1 1 35 35 LEU HA H 1 4.414 0.001 . 1 . . . . 35 LEU HA . 16010 1 193 . 1 1 35 35 LEU C C 13 177.7 0.1 . 1 . . . . 35 LEU C . 16010 1 194 . 1 1 35 35 LEU CA C 13 55.88 0.01 . 1 . . . . 35 LEU CA . 16010 1 195 . 1 1 35 35 LEU CB C 13 42.20 0.01 . 1 . . . . 35 LEU CB . 16010 1 196 . 1 1 35 35 LEU N N 15 121.0 0.1 . 1 . . . . 35 LEU N . 16010 1 197 . 1 1 36 36 THR H H 1 7.925 0.001 . 1 . . . . 36 THR H . 16010 1 198 . 1 1 36 36 THR HA H 1 4.325 0.001 . 1 . . . . 36 THR HA . 16010 1 199 . 1 1 36 36 THR C C 13 175.0 0.1 . 1 . . . . 36 THR C . 16010 1 200 . 1 1 36 36 THR CA C 13 62.65 0.01 . 1 . . . . 36 THR CA . 16010 1 201 . 1 1 36 36 THR CB C 13 69.74 0.01 . 1 . . . . 36 THR CB . 16010 1 202 . 1 1 36 36 THR N N 15 112.3 0.1 . 1 . . . . 36 THR N . 16010 1 203 . 1 1 37 37 LYS H H 1 8.043 0.001 . 1 . . . . 37 LYS H . 16010 1 204 . 1 1 37 37 LYS HA H 1 4.535 0.001 . 1 . . . . 37 LYS HA . 16010 1 205 . 1 1 37 37 LYS C C 13 176.4 0.1 . 1 . . . . 37 LYS C . 16010 1 206 . 1 1 37 37 LYS CA C 13 56.93 0.01 . 1 . . . . 37 LYS CA . 16010 1 207 . 1 1 37 37 LYS CB C 13 32.69 0.01 . 1 . . . . 37 LYS CB . 16010 1 208 . 1 1 37 37 LYS N N 15 121.4 0.1 . 1 . . . . 37 LYS N . 16010 1 209 . 1 1 38 38 ASP H H 1 8.194 0.001 . 1 . . . . 38 ASP H . 16010 1 210 . 1 1 38 38 ASP HA H 1 4.719 0.001 . 1 . . . . 38 ASP HA . 16010 1 211 . 1 1 38 38 ASP C C 13 175.1 0.1 . 1 . . . . 38 ASP C . 16010 1 212 . 1 1 38 38 ASP CA C 13 53.40 0.01 . 1 . . . . 38 ASP CA . 16010 1 213 . 1 1 38 38 ASP CB C 13 38.51 0.01 . 1 . . . . 38 ASP CB . 16010 1 214 . 1 1 38 38 ASP N N 15 118.4 0.1 . 1 . . . . 38 ASP N . 16010 1 215 . 1 1 39 39 ARG H H 1 8.076 0.001 . 1 . . . . 39 ARG H . 16010 1 216 . 1 1 39 39 ARG C C 13 175.8 0.1 . 1 . . . . 39 ARG C . 16010 1 217 . 1 1 39 39 ARG CA C 13 56.22 0.01 . 1 . . . . 39 ARG CA . 16010 1 218 . 1 1 39 39 ARG CB C 13 30.78 0.01 . 1 . . . . 39 ARG CB . 16010 1 219 . 1 1 39 39 ARG N N 15 120.1 0.1 . 1 . . . . 39 ARG N . 16010 1 220 . 1 1 40 40 CYS H H 1 8.207 0.001 . 1 . . . . 40 CYS H . 16010 1 221 . 1 1 40 40 CYS C C 13 173.8 0.1 . 1 . . . . 40 CYS C . 16010 1 222 . 1 1 40 40 CYS CA C 13 54.91 0.01 . 1 . . . . 40 CYS CA . 16010 1 223 . 1 1 40 40 CYS CB C 13 40.60 0.01 . 1 . . . . 40 CYS CB . 16010 1 224 . 1 1 40 40 CYS N N 15 117.8 0.1 . 1 . . . . 40 CYS N . 16010 1 225 . 1 1 41 41 LYS H H 1 8.236 0.001 . 1 . . . . 41 LYS H . 16010 1 226 . 1 1 41 41 LYS HA H 1 4.678 0.001 . 1 . . . . 41 LYS HA . 16010 1 227 . 1 1 41 41 LYS CA C 13 54.32 0.01 . 1 . . . . 41 LYS CA . 16010 1 228 . 1 1 41 41 LYS CB C 13 32.91 0.01 . 1 . . . . 41 LYS CB . 16010 1 229 . 1 1 41 41 LYS N N 15 123.4 0.1 . 1 . . . . 41 LYS N . 16010 1 230 . 1 1 42 42 PRO C C 13 176.6 0.1 . 1 . . . . 42 PRO C . 16010 1 231 . 1 1 42 42 PRO CA C 13 63.30 0.01 . 1 . . . . 42 PRO CA . 16010 1 232 . 1 1 42 42 PRO CB C 13 31.96 0.01 . 1 . . . . 42 PRO CB . 16010 1 233 . 1 1 43 43 VAL H H 1 8.078 0.001 . 1 . . . . 43 VAL H . 16010 1 234 . 1 1 43 43 VAL HA H 1 4.161 0.001 . 1 . . . . 43 VAL HA . 16010 1 235 . 1 1 43 43 VAL C C 13 175.7 0.1 . 1 . . . . 43 VAL C . 16010 1 236 . 1 1 43 43 VAL CA C 13 62.20 0.01 . 1 . . . . 43 VAL CA . 16010 1 237 . 1 1 43 43 VAL CB C 13 33.15 0.01 . 1 . . . . 43 VAL CB . 16010 1 238 . 1 1 43 43 VAL N N 15 119.1 0.1 . 1 . . . . 43 VAL N . 16010 1 239 . 1 1 44 44 ASN H H 1 8.345 0.001 . 1 . . . . 44 ASN H . 16010 1 240 . 1 1 44 44 ASN HA H 1 4.806 0.001 . 1 . . . . 44 ASN HA . 16010 1 241 . 1 1 44 44 ASN C C 13 175.3 0.1 . 1 . . . . 44 ASN C . 16010 1 242 . 1 1 44 44 ASN CA C 13 53.34 0.01 . 1 . . . . 44 ASN CA . 16010 1 243 . 1 1 44 44 ASN CB C 13 38.83 0.01 . 1 . . . . 44 ASN CB . 16010 1 244 . 1 1 44 44 ASN N N 15 121.2 0.1 . 1 . . . . 44 ASN N . 16010 1 245 . 1 1 45 45 THR H H 1 7.962 0.001 . 1 . . . . 45 THR H . 16010 1 246 . 1 1 45 45 THR HA H 1 4.298 0.001 . 1 . . . . 45 THR HA . 16010 1 247 . 1 1 45 45 THR C C 13 174.3 0.1 . 1 . . . . 45 THR C . 16010 1 248 . 1 1 45 45 THR CA C 13 62.26 0.01 . 1 . . . . 45 THR CA . 16010 1 249 . 1 1 45 45 THR CB C 13 69.59 0.01 . 1 . . . . 45 THR CB . 16010 1 250 . 1 1 45 45 THR N N 15 113.8 0.1 . 1 . . . . 45 THR N . 16010 1 251 . 1 1 46 46 PHE H H 1 8.101 0.001 . 1 . . . . 46 PHE H . 16010 1 252 . 1 1 46 46 PHE HA H 1 4.655 0.001 . 1 . . . . 46 PHE HA . 16010 1 253 . 1 1 46 46 PHE C C 13 175.9 0.1 . 1 . . . . 46 PHE C . 16010 1 254 . 1 1 46 46 PHE CA C 13 58.18 0.01 . 1 . . . . 46 PHE CA . 16010 1 255 . 1 1 46 46 PHE CB C 13 39.20 0.01 . 1 . . . . 46 PHE CB . 16010 1 256 . 1 1 46 46 PHE N N 15 121.3 0.1 . 1 . . . . 46 PHE N . 16010 1 257 . 1 1 47 47 VAL H H 1 7.876 0.001 . 1 . . . . 47 VAL H . 16010 1 258 . 1 1 47 47 VAL HA H 1 4.053 0.001 . 1 . . . . 47 VAL HA . 16010 1 259 . 1 1 47 47 VAL C C 13 175.8 0.1 . 1 . . . . 47 VAL C . 16010 1 260 . 1 1 47 47 VAL CA C 13 62.74 0.01 . 1 . . . . 47 VAL CA . 16010 1 261 . 1 1 47 47 VAL CB C 13 32.72 0.01 . 1 . . . . 47 VAL CB . 16010 1 262 . 1 1 47 47 VAL N N 15 119.9 0.1 . 1 . . . . 47 VAL N . 16010 1 263 . 1 1 48 48 HIS H H 1 8.386 0.001 . 1 . . . . 48 HIS H . 16010 1 264 . 1 1 48 48 HIS HA H 1 4.713 0.001 . 1 . . . . 48 HIS HA . 16010 1 265 . 1 1 48 48 HIS C C 13 174.3 0.1 . 1 . . . . 48 HIS C . 16010 1 266 . 1 1 48 48 HIS CA C 13 55.66 0.01 . 1 . . . . 48 HIS CA . 16010 1 267 . 1 1 48 48 HIS CB C 13 28.72 0.01 . 1 . . . . 48 HIS CB . 16010 1 268 . 1 1 48 48 HIS N N 15 120.7 0.1 . 1 . . . . 48 HIS N . 16010 1 269 . 1 1 49 49 GLU H H 1 8.273 0.001 . 1 . . . . 49 GLU H . 16010 1 270 . 1 1 49 49 GLU HA H 1 4.463 0.001 . 1 . . . . 49 GLU HA . 16010 1 271 . 1 1 49 49 GLU C C 13 175.7 0.1 . 1 . . . . 49 GLU C . 16010 1 272 . 1 1 49 49 GLU CA C 13 56.03 0.01 . 1 . . . . 49 GLU CA . 16010 1 273 . 1 1 49 49 GLU CB C 13 29.32 0.01 . 1 . . . . 49 GLU CB . 16010 1 274 . 1 1 49 49 GLU N N 15 120.9 0.1 . 1 . . . . 49 GLU N . 16010 1 275 . 1 1 50 50 SER H H 1 8.306 0.001 . 1 . . . . 50 SER H . 16010 1 276 . 1 1 50 50 SER HA H 1 4.556 0.001 . 1 . . . . 50 SER HA . 16010 1 277 . 1 1 50 50 SER C C 13 175.0 0.1 . 1 . . . . 50 SER C . 16010 1 278 . 1 1 50 50 SER CA C 13 58.17 0.01 . 1 . . . . 50 SER CA . 16010 1 279 . 1 1 50 50 SER CB C 13 64.35 0.01 . 1 . . . . 50 SER CB . 16010 1 280 . 1 1 50 50 SER N N 15 117.0 0.1 . 1 . . . . 50 SER N . 16010 1 281 . 1 1 51 51 LEU H H 1 8.355 0.001 . 1 . . . . 51 LEU H . 16010 1 282 . 1 1 51 51 LEU HA H 1 4.274 0.001 . 1 . . . . 51 LEU HA . 16010 1 283 . 1 1 51 51 LEU C C 13 177.9 0.1 . 1 . . . . 51 LEU C . 16010 1 284 . 1 1 51 51 LEU CA C 13 56.70 0.01 . 1 . . . . 51 LEU CA . 16010 1 285 . 1 1 51 51 LEU CB C 13 41.85 0.01 . 1 . . . . 51 LEU CB . 16010 1 286 . 1 1 51 51 LEU N N 15 123.2 0.1 . 1 . . . . 51 LEU N . 16010 1 287 . 1 1 52 52 ALA H H 1 8.108 0.001 . 1 . . . . 52 ALA H . 16010 1 288 . 1 1 52 52 ALA HA H 1 4.258 0.001 . 1 . . . . 52 ALA HA . 16010 1 289 . 1 1 52 52 ALA C C 13 178.7 0.1 . 1 . . . . 52 ALA C . 16010 1 290 . 1 1 52 52 ALA CA C 13 53.86 0.01 . 1 . . . . 52 ALA CA . 16010 1 291 . 1 1 52 52 ALA CB C 13 18.57 0.01 . 1 . . . . 52 ALA CB . 16010 1 292 . 1 1 52 52 ALA N N 15 121.4 0.1 . 1 . . . . 52 ALA N . 16010 1 293 . 1 1 53 53 ASP H H 1 8.007 0.001 . 1 . . . . 53 ASP H . 16010 1 294 . 1 1 53 53 ASP HA H 1 4.654 0.001 . 1 . . . . 53 ASP HA . 16010 1 295 . 1 1 53 53 ASP C C 13 176.1 0.1 . 1 . . . . 53 ASP C . 16010 1 296 . 1 1 53 53 ASP CA C 13 54.46 0.01 . 1 . . . . 53 ASP CA . 16010 1 297 . 1 1 53 53 ASP CB C 13 38.15 0.01 . 1 . . . . 53 ASP CB . 16010 1 298 . 1 1 53 53 ASP N N 15 117.0 0.1 . 1 . . . . 53 ASP N . 16010 1 299 . 1 1 54 54 VAL H H 1 7.865 0.001 . 1 . . . . 54 VAL H . 16010 1 300 . 1 1 54 54 VAL HA H 1 3.956 0.001 . 1 . . . . 54 VAL HA . 16010 1 301 . 1 1 54 54 VAL C C 13 176.9 0.1 . 1 . . . . 54 VAL C . 16010 1 302 . 1 1 54 54 VAL CA C 13 64.88 0.01 . 1 . . . . 54 VAL CA . 16010 1 303 . 1 1 54 54 VAL CB C 13 32.14 0.01 . 1 . . . . 54 VAL CB . 16010 1 304 . 1 1 54 54 VAL N N 15 119.7 0.1 . 1 . . . . 54 VAL N . 16010 1 305 . 1 1 55 55 GLN H H 1 8.293 0.001 . 1 . . . . 55 GLN H . 16010 1 306 . 1 1 55 55 GLN HA H 1 4.168 0.001 . 1 . . . . 55 GLN HA . 16010 1 307 . 1 1 55 55 GLN C C 13 177.2 0.1 . 1 . . . . 55 GLN C . 16010 1 308 . 1 1 55 55 GLN CA C 13 57.79 0.01 . 1 . . . . 55 GLN CA . 16010 1 309 . 1 1 55 55 GLN CB C 13 28.72 0.01 . 1 . . . . 55 GLN CB . 16010 1 310 . 1 1 55 55 GLN N N 15 119.7 0.1 . 1 . . . . 55 GLN N . 16010 1 311 . 1 1 56 56 ALA H H 1 7.966 0.001 . 1 . . . . 56 ALA H . 16010 1 312 . 1 1 56 56 ALA HA H 1 4.322 0.001 . 1 . . . . 56 ALA HA . 16010 1 313 . 1 1 56 56 ALA C C 13 179.0 0.1 . 1 . . . . 56 ALA C . 16010 1 314 . 1 1 56 56 ALA CA C 13 54.05 0.01 . 1 . . . . 56 ALA CA . 16010 1 315 . 1 1 56 56 ALA CB C 13 18.85 0.01 . 1 . . . . 56 ALA CB . 16010 1 316 . 1 1 56 56 ALA N N 15 122.6 0.1 . 1 . . . . 56 ALA N . 16010 1 317 . 1 1 57 57 VAL H H 1 7.987 0.001 . 1 . . . . 57 VAL H . 16010 1 318 . 1 1 57 57 VAL CA C 13 64.36 0.01 . 1 . . . . 57 VAL CA . 16010 1 319 . 1 1 57 57 VAL N N 15 117.5 0.1 . 1 . . . . 57 VAL N . 16010 1 320 . 1 1 58 58 CYS C C 13 175.5 0.1 . 1 . . . . 58 CYS C . 16010 1 321 . 1 1 58 58 CYS CA C 13 56.04 0.01 . 1 . . . . 58 CYS CA . 16010 1 322 . 1 1 59 59 SER H H 1 8.126 0.001 . 1 . . . . 59 SER H . 16010 1 323 . 1 1 59 59 SER HA H 1 4.525 0.001 . 1 . . . . 59 SER HA . 16010 1 324 . 1 1 59 59 SER CA C 13 59.39 0.01 . 1 . . . . 59 SER CA . 16010 1 325 . 1 1 59 59 SER CB C 13 64.03 0.01 . 1 . . . . 59 SER CB . 16010 1 326 . 1 1 59 59 SER N N 15 115.5 0.1 . 1 . . . . 59 SER N . 16010 1 327 . 1 1 60 60 GLN H H 1 8.059 0.001 . 1 . . . . 60 GLN H . 16010 1 328 . 1 1 60 60 GLN CA C 13 56.64 0.01 . 1 . . . . 60 GLN CA . 16010 1 329 . 1 1 60 60 GLN CB C 13 29.20 0.01 . 1 . . . . 60 GLN CB . 16010 1 330 . 1 1 60 60 GLN N N 15 121.2 0.1 . 1 . . . . 60 GLN N . 16010 1 331 . 1 1 61 61 LYS HA H 1 4.332 0.001 . 1 . . . . 61 LYS HA . 16010 1 332 . 1 1 61 61 LYS C C 13 176.3 0.1 . 1 . . . . 61 LYS C . 16010 1 333 . 1 1 61 61 LYS CA C 13 56.74 0.01 . 1 . . . . 61 LYS CA . 16010 1 334 . 1 1 61 61 LYS CB C 13 33.02 0.01 . 1 . . . . 61 LYS CB . 16010 1 335 . 1 1 62 62 ASN H H 1 8.251 0.001 . 1 . . . . 62 ASN H . 16010 1 336 . 1 1 62 62 ASN HA H 1 4.786 0.001 . 1 . . . . 62 ASN HA . 16010 1 337 . 1 1 62 62 ASN C C 13 175.3 0.1 . 1 . . . . 62 ASN C . 16010 1 338 . 1 1 62 62 ASN CA C 13 53.61 0.01 . 1 . . . . 62 ASN CA . 16010 1 339 . 1 1 62 62 ASN CB C 13 38.95 0.01 . 1 . . . . 62 ASN CB . 16010 1 340 . 1 1 62 62 ASN N N 15 118.7 0.1 . 1 . . . . 62 ASN N . 16010 1 341 . 1 1 63 63 VAL H H 1 7.946 0.001 . 1 . . . . 63 VAL H . 16010 1 342 . 1 1 63 63 VAL HA H 1 4.139 0.001 . 1 . . . . 63 VAL HA . 16010 1 343 . 1 1 63 63 VAL C C 13 175.7 0.1 . 1 . . . . 63 VAL C . 16010 1 344 . 1 1 63 63 VAL CA C 13 62.68 0.01 . 1 . . . . 63 VAL CA . 16010 1 345 . 1 1 63 63 VAL CB C 13 32.70 0.01 . 1 . . . . 63 VAL CB . 16010 1 346 . 1 1 63 63 VAL N N 15 119.2 0.1 . 1 . . . . 63 VAL N . 16010 1 347 . 1 1 64 64 ALA H H 1 8.139 0.001 . 1 . . . . 64 ALA H . 16010 1 348 . 1 1 64 64 ALA HA H 1 4.398 0.001 . 1 . . . . 64 ALA HA . 16010 1 349 . 1 1 64 64 ALA C C 13 177.6 0.1 . 1 . . . . 64 ALA C . 16010 1 350 . 1 1 64 64 ALA CA C 13 52.75 0.01 . 1 . . . . 64 ALA CA . 16010 1 351 . 1 1 64 64 ALA CB C 13 19.33 0.01 . 1 . . . . 64 ALA CB . 16010 1 352 . 1 1 64 64 ALA N N 15 125.3 0.1 . 1 . . . . 64 ALA N . 16010 1 353 . 1 1 65 65 CYS H H 1 8.140 0.001 . 1 . . . . 65 CYS H . 16010 1 354 . 1 1 65 65 CYS HA H 1 4.720 0.001 . 1 . . . . 65 CYS HA . 16010 1 355 . 1 1 65 65 CYS C C 13 175.1 0.1 . 1 . . . . 65 CYS C . 16010 1 356 . 1 1 65 65 CYS CA C 13 55.31 0.01 . 1 . . . . 65 CYS CA . 16010 1 357 . 1 1 65 65 CYS CB C 13 41.01 0.01 . 1 . . . . 65 CYS CB . 16010 1 358 . 1 1 65 65 CYS N N 15 117.3 0.1 . 1 . . . . 65 CYS N . 16010 1 359 . 1 1 66 66 LYS H H 1 8.359 0.001 . 1 . . . . 66 LYS H . 16010 1 360 . 1 1 66 66 LYS HA H 1 4.375 0.001 . 1 . . . . 66 LYS HA . 16010 1 361 . 1 1 66 66 LYS C C 13 176.3 0.1 . 1 . . . . 66 LYS C . 16010 1 362 . 1 1 66 66 LYS CA C 13 56.72 0.01 . 1 . . . . 66 LYS CA . 16010 1 363 . 1 1 66 66 LYS CB C 13 33.12 0.01 . 1 . . . . 66 LYS CB . 16010 1 364 . 1 1 66 66 LYS N N 15 122.8 0.1 . 1 . . . . 66 LYS N . 16010 1 365 . 1 1 67 67 ASN H H 1 8.295 0.001 . 1 . . . . 67 ASN H . 16010 1 366 . 1 1 67 67 ASN HA H 1 4.655 0.001 . 1 . . . . 67 ASN HA . 16010 1 367 . 1 1 67 67 ASN C C 13 175.8 0.1 . 1 . . . . 67 ASN C . 16010 1 368 . 1 1 67 67 ASN CA C 13 53.87 0.01 . 1 . . . . 67 ASN CA . 16010 1 369 . 1 1 67 67 ASN CB C 13 38.35 0.01 . 1 . . . . 67 ASN CB . 16010 1 370 . 1 1 67 67 ASN N N 15 117.5 0.1 . 1 . . . . 67 ASN N . 16010 1 371 . 1 1 68 68 GLY H H 1 8.356 0.001 . 1 . . . . 68 GLY H . 16010 1 372 . 1 1 68 68 GLY HA2 H 1 3.820 0.001 . 2 . . . . 68 GLY HA2 . 16010 1 373 . 1 1 68 68 GLY HA3 H 1 4.205 0.001 . 2 . . . . 68 GLY HA3 . 16010 1 374 . 1 1 68 68 GLY C C 13 174.4 0.1 . 1 . . . . 68 GLY C . 16010 1 375 . 1 1 68 68 GLY CA C 13 45.69 0.01 . 1 . . . . 68 GLY CA . 16010 1 376 . 1 1 68 68 GLY N N 15 109.4 0.1 . 1 . . . . 68 GLY N . 16010 1 377 . 1 1 69 69 GLN H H 1 8.062 0.001 . 1 . . . . 69 GLN H . 16010 1 378 . 1 1 69 69 GLN HA H 1 4.462 0.001 . 1 . . . . 69 GLN HA . 16010 1 379 . 1 1 69 69 GLN C C 13 176.5 0.1 . 1 . . . . 69 GLN C . 16010 1 380 . 1 1 69 69 GLN CA C 13 56.16 0.01 . 1 . . . . 69 GLN CA . 16010 1 381 . 1 1 69 69 GLN CB C 13 29.38 0.01 . 1 . . . . 69 GLN CB . 16010 1 382 . 1 1 69 69 GLN N N 15 119.4 0.1 . 1 . . . . 69 GLN N . 16010 1 383 . 1 1 70 70 THR H H 1 8.185 0.001 . 1 . . . . 70 THR H . 16010 1 384 . 1 1 70 70 THR HA H 1 4.335 0.001 . 1 . . . . 70 THR HA . 16010 1 385 . 1 1 70 70 THR C C 13 174.6 0.1 . 1 . . . . 70 THR C . 16010 1 386 . 1 1 70 70 THR CA C 13 62.74 0.01 . 1 . . . . 70 THR CA . 16010 1 387 . 1 1 70 70 THR CB C 13 69.59 0.01 . 1 . . . . 70 THR CB . 16010 1 388 . 1 1 70 70 THR N N 15 113.3 0.1 . 1 . . . . 70 THR N . 16010 1 389 . 1 1 71 71 ASN H H 1 8.336 0.001 . 1 . . . . 71 ASN H . 16010 1 390 . 1 1 71 71 ASN HA H 1 4.758 0.001 . 1 . . . . 71 ASN HA . 16010 1 391 . 1 1 71 71 ASN C C 13 175.0 0.1 . 1 . . . . 71 ASN C . 16010 1 392 . 1 1 71 71 ASN CA C 13 53.49 0.01 . 1 . . . . 71 ASN CA . 16010 1 393 . 1 1 71 71 ASN CB C 13 37.99 0.01 . 1 . . . . 71 ASN CB . 16010 1 394 . 1 1 71 71 ASN N N 15 118.5 0.1 . 1 . . . . 71 ASN N . 16010 1 395 . 1 1 72 72 CYS H H 1 8.081 0.001 . 1 . . . . 72 CYS H . 16010 1 396 . 1 1 72 72 CYS HA H 1 4.613 0.001 . 1 . . . . 72 CYS HA . 16010 1 397 . 1 1 72 72 CYS C C 13 174.1 0.1 . 1 . . . . 72 CYS C . 16010 1 398 . 1 1 72 72 CYS CA C 13 56.98 0.01 . 1 . . . . 72 CYS CA . 16010 1 399 . 1 1 72 72 CYS CB C 13 41.40 0.01 . 1 . . . . 72 CYS CB . 16010 1 400 . 1 1 72 72 CYS N N 15 117.8 0.1 . 1 . . . . 72 CYS N . 16010 1 401 . 1 1 73 73 TYR H H 1 8.113 0.001 . 1 . . . . 73 TYR H . 16010 1 402 . 1 1 73 73 TYR HA H 1 4.555 0.001 . 1 . . . . 73 TYR HA . 16010 1 403 . 1 1 73 73 TYR C C 13 175.7 0.1 . 1 . . . . 73 TYR C . 16010 1 404 . 1 1 73 73 TYR CA C 13 58.42 0.01 . 1 . . . . 73 TYR CA . 16010 1 405 . 1 1 73 73 TYR CB C 13 38.65 0.01 . 1 . . . . 73 TYR CB . 16010 1 406 . 1 1 73 73 TYR N N 15 120.5 0.1 . 1 . . . . 73 TYR N . 16010 1 407 . 1 1 74 74 GLN H H 1 8.128 0.001 . 1 . . . . 74 GLN H . 16010 1 408 . 1 1 74 74 GLN HA H 1 4.365 0.001 . 1 . . . . 74 GLN HA . 16010 1 409 . 1 1 74 74 GLN C C 13 175.7 0.1 . 1 . . . . 74 GLN C . 16010 1 410 . 1 1 74 74 GLN CA C 13 56.09 0.01 . 1 . . . . 74 GLN CA . 16010 1 411 . 1 1 74 74 GLN CB C 13 29.71 0.01 . 1 . . . . 74 GLN CB . 16010 1 412 . 1 1 74 74 GLN N N 15 120.7 0.1 . 1 . . . . 74 GLN N . 16010 1 413 . 1 1 75 75 SER H H 1 8.155 0.001 . 1 . . . . 75 SER H . 16010 1 414 . 1 1 75 75 SER HA H 1 4.490 0.001 . 1 . . . . 75 SER HA . 16010 1 415 . 1 1 75 75 SER C C 13 174.2 0.1 . 1 . . . . 75 SER C . 16010 1 416 . 1 1 75 75 SER CA C 13 58.51 0.01 . 1 . . . . 75 SER CA . 16010 1 417 . 1 1 75 75 SER CB C 13 63.89 0.01 . 1 . . . . 75 SER CB . 16010 1 418 . 1 1 75 75 SER N N 15 116.3 0.1 . 1 . . . . 75 SER N . 16010 1 419 . 1 1 76 76 TYR H H 1 8.102 0.001 . 1 . . . . 76 TYR H . 16010 1 420 . 1 1 76 76 TYR HA H 1 4.638 0.001 . 1 . . . . 76 TYR HA . 16010 1 421 . 1 1 76 76 TYR C C 13 176.1 0.1 . 1 . . . . 76 TYR C . 16010 1 422 . 1 1 76 76 TYR CA C 13 58.45 0.01 . 1 . . . . 76 TYR CA . 16010 1 423 . 1 1 76 76 TYR CB C 13 38.79 0.01 . 1 . . . . 76 TYR CB . 16010 1 424 . 1 1 76 76 TYR N N 15 121.4 0.1 . 1 . . . . 76 TYR N . 16010 1 425 . 1 1 77 77 SER H H 1 8.179 0.001 . 1 . . . . 77 SER H . 16010 1 426 . 1 1 77 77 SER HA H 1 4.542 0.001 . 1 . . . . 77 SER HA . 16010 1 427 . 1 1 77 77 SER C C 13 174.9 0.1 . 1 . . . . 77 SER C . 16010 1 428 . 1 1 77 77 SER CA C 13 58.70 0.01 . 1 . . . . 77 SER CA . 16010 1 429 . 1 1 77 77 SER CB C 13 63.95 0.01 . 1 . . . . 77 SER CB . 16010 1 430 . 1 1 77 77 SER N N 15 115.8 0.1 . 1 . . . . 77 SER N . 16010 1 431 . 1 1 78 78 THR H H 1 8.074 0.001 . 1 . . . . 78 THR H . 16010 1 432 . 1 1 78 78 THR HA H 1 4.400 0.001 . 1 . . . . 78 THR HA . 16010 1 433 . 1 1 78 78 THR C C 13 174.9 0.1 . 1 . . . . 78 THR C . 16010 1 434 . 1 1 78 78 THR CA C 13 62.51 0.01 . 1 . . . . 78 THR CA . 16010 1 435 . 1 1 78 78 THR CB C 13 69.51 0.01 . 1 . . . . 78 THR CB . 16010 1 436 . 1 1 78 78 THR N N 15 115.1 0.1 . 1 . . . . 78 THR N . 16010 1 437 . 1 1 79 79 MET H H 1 8.137 0.001 . 1 . . . . 79 MET H . 16010 1 438 . 1 1 79 79 MET HA H 1 4.473 0.001 . 1 . . . . 79 MET HA . 16010 1 439 . 1 1 79 79 MET C C 13 176.1 0.1 . 1 . . . . 79 MET C . 16010 1 440 . 1 1 79 79 MET CA C 13 56.25 0.01 . 1 . . . . 79 MET CA . 16010 1 441 . 1 1 79 79 MET CB C 13 33.15 0.01 . 1 . . . . 79 MET CB . 16010 1 442 . 1 1 79 79 MET N N 15 121.5 0.1 . 1 . . . . 79 MET N . 16010 1 443 . 1 1 80 80 SER H H 1 8.135 0.001 . 1 . . . . 80 SER H . 16010 1 444 . 1 1 80 80 SER HA H 1 4.527 0.001 . 1 . . . . 80 SER HA . 16010 1 445 . 1 1 80 80 SER C C 13 174.8 0.1 . 1 . . . . 80 SER C . 16010 1 446 . 1 1 80 80 SER CA C 13 58.60 0.01 . 1 . . . . 80 SER CA . 16010 1 447 . 1 1 80 80 SER CB C 13 63.87 0.01 . 1 . . . . 80 SER CB . 16010 1 448 . 1 1 80 80 SER N N 15 115.9 0.1 . 1 . . . . 80 SER N . 16010 1 449 . 1 1 81 81 ILE H H 1 8.043 0.001 . 1 . . . . 81 ILE H . 16010 1 450 . 1 1 81 81 ILE HA H 1 4.309 0.001 . 1 . . . . 81 ILE HA . 16010 1 451 . 1 1 81 81 ILE C C 13 176.5 0.1 . 1 . . . . 81 ILE C . 16010 1 452 . 1 1 81 81 ILE CA C 13 62.07 0.01 . 1 . . . . 81 ILE CA . 16010 1 453 . 1 1 81 81 ILE CB C 13 38.69 0.01 . 1 . . . . 81 ILE CB . 16010 1 454 . 1 1 81 81 ILE N N 15 121.4 0.1 . 1 . . . . 81 ILE N . 16010 1 455 . 1 1 82 82 THR H H 1 7.989 0.001 . 1 . . . . 82 THR H . 16010 1 456 . 1 1 82 82 THR HA H 1 4.365 0.001 . 1 . . . . 82 THR HA . 16010 1 457 . 1 1 82 82 THR C C 13 174.7 0.1 . 1 . . . . 82 THR C . 16010 1 458 . 1 1 82 82 THR CA C 13 62.54 0.01 . 1 . . . . 82 THR CA . 16010 1 459 . 1 1 82 82 THR CB C 13 69.58 0.01 . 1 . . . . 82 THR CB . 16010 1 460 . 1 1 82 82 THR N N 15 115.4 0.1 . 1 . . . . 82 THR N . 16010 1 461 . 1 1 83 83 ASP H H 1 8.232 0.001 . 1 . . . . 83 ASP H . 16010 1 462 . 1 1 83 83 ASP HA H 1 4.802 0.001 . 1 . . . . 83 ASP HA . 16010 1 463 . 1 1 83 83 ASP C C 13 175.4 0.1 . 1 . . . . 83 ASP C . 16010 1 464 . 1 1 83 83 ASP CA C 13 53.50 0.01 . 1 . . . . 83 ASP CA . 16010 1 465 . 1 1 83 83 ASP CB C 13 38.68 0.01 . 1 . . . . 83 ASP CB . 16010 1 466 . 1 1 83 83 ASP N N 15 120.3 0.1 . 1 . . . . 83 ASP N . 16010 1 467 . 1 1 84 84 CYS H H 1 8.283 0.001 . 1 . . . . 84 CYS H . 16010 1 468 . 1 1 84 84 CYS HA H 1 4.597 0.001 . 1 . . . . 84 CYS HA . 16010 1 469 . 1 1 84 84 CYS C C 13 175.0 0.1 . 1 . . . . 84 CYS C . 16010 1 470 . 1 1 84 84 CYS CA C 13 54.85 0.01 . 1 . . . . 84 CYS CA . 16010 1 471 . 1 1 84 84 CYS CB C 13 39.94 0.01 . 1 . . . . 84 CYS CB . 16010 1 472 . 1 1 84 84 CYS N N 15 118.2 0.1 . 1 . . . . 84 CYS N . 16010 1 473 . 1 1 85 85 ARG H H 1 8.233 0.001 . 1 . . . . 85 ARG H . 16010 1 474 . 1 1 85 85 ARG HA H 1 4.277 0.001 . 1 . . . . 85 ARG HA . 16010 1 475 . 1 1 85 85 ARG C C 13 176.2 0.1 . 1 . . . . 85 ARG C . 16010 1 476 . 1 1 85 85 ARG CA C 13 54.94 0.01 . 1 . . . . 85 ARG CA . 16010 1 477 . 1 1 85 85 ARG CB C 13 29.34 0.01 . 1 . . . . 85 ARG CB . 16010 1 478 . 1 1 85 85 ARG N N 15 120.9 0.1 . 1 . . . . 85 ARG N . 16010 1 479 . 1 1 86 86 GLU H H 1 8.239 0.001 . 1 . . . . 86 GLU H . 16010 1 480 . 1 1 86 86 GLU C C 13 176.2 0.1 . 1 . . . . 86 GLU C . 16010 1 481 . 1 1 86 86 GLU CA C 13 56.00 0.01 . 1 . . . . 86 GLU CA . 16010 1 482 . 1 1 86 86 GLU CB C 13 29.00 0.01 . 1 . . . . 86 GLU CB . 16010 1 483 . 1 1 86 86 GLU N N 15 120.2 0.1 . 1 . . . . 86 GLU N . 16010 1 484 . 1 1 87 87 THR H H 1 8.107 0.001 . 1 . . . . 87 THR H . 16010 1 485 . 1 1 87 87 THR HA H 1 4.431 0.001 . 1 . . . . 87 THR HA . 16010 1 486 . 1 1 87 87 THR C C 13 175.1 0.1 . 1 . . . . 87 THR C . 16010 1 487 . 1 1 87 87 THR CA C 13 62.04 0.01 . 1 . . . . 87 THR CA . 16010 1 488 . 1 1 87 87 THR CB C 13 69.96 0.01 . 1 . . . . 87 THR CB . 16010 1 489 . 1 1 87 87 THR N N 15 113.7 0.1 . 1 . . . . 87 THR N . 16010 1 490 . 1 1 88 88 GLY H H 1 8.326 0.001 . 1 . . . . 88 GLY H . 16010 1 491 . 1 1 88 88 GLY HA2 H 1 4.069 0.001 . 2 . . . . 88 GLY HA2 . 16010 1 492 . 1 1 88 88 GLY C C 13 174.1 0.1 . 1 . . . . 88 GLY C . 16010 1 493 . 1 1 88 88 GLY CA C 13 45.57 0.01 . 1 . . . . 88 GLY CA . 16010 1 494 . 1 1 88 88 GLY N N 15 110.3 0.1 . 1 . . . . 88 GLY N . 16010 1 495 . 1 1 89 89 SER H H 1 8.122 0.001 . 1 . . . . 89 SER H . 16010 1 496 . 1 1 89 89 SER C C 13 174.7 0.1 . 1 . . . . 89 SER C . 16010 1 497 . 1 1 89 89 SER CA C 13 58.33 0.01 . 1 . . . . 89 SER CA . 16010 1 498 . 1 1 89 89 SER CB C 13 64.14 0.01 . 1 . . . . 89 SER CB . 16010 1 499 . 1 1 89 89 SER N N 15 114.7 0.1 . 1 . . . . 89 SER N . 16010 1 500 . 1 1 90 90 SER H H 1 8.220 0.001 . 1 . . . . 90 SER H . 16010 1 501 . 1 1 90 90 SER HA H 1 4.485 0.001 . 1 . . . . 90 SER HA . 16010 1 502 . 1 1 90 90 SER C C 13 174.3 0.1 . 1 . . . . 90 SER C . 16010 1 503 . 1 1 90 90 SER CA C 13 58.63 0.01 . 1 . . . . 90 SER CA . 16010 1 504 . 1 1 90 90 SER CB C 13 63.77 0.01 . 1 . . . . 90 SER CB . 16010 1 505 . 1 1 90 90 SER N N 15 117.2 0.1 . 1 . . . . 90 SER N . 16010 1 506 . 1 1 91 91 LYS H H 1 8.063 0.001 . 1 . . . . 91 LYS H . 16010 1 507 . 1 1 91 91 LYS HA H 1 4.285 0.001 . 1 . . . . 91 LYS HA . 16010 1 508 . 1 1 91 91 LYS C C 13 175.5 0.1 . 1 . . . . 91 LYS C . 16010 1 509 . 1 1 91 91 LYS CA C 13 56.41 0.01 . 1 . . . . 91 LYS CA . 16010 1 510 . 1 1 91 91 LYS CB C 13 33.10 0.01 . 1 . . . . 91 LYS CB . 16010 1 511 . 1 1 91 91 LYS N N 15 121.6 0.1 . 1 . . . . 91 LYS N . 16010 1 512 . 1 1 92 92 TYR H H 1 7.891 0.001 . 1 . . . . 92 TYR H . 16010 1 513 . 1 1 92 92 TYR HA H 1 4.887 0.001 . 1 . . . . 92 TYR HA . 16010 1 514 . 1 1 92 92 TYR CA C 13 55.41 0.01 . 1 . . . . 92 TYR CA . 16010 1 515 . 1 1 92 92 TYR CB C 13 38.49 0.01 . 1 . . . . 92 TYR CB . 16010 1 516 . 1 1 92 92 TYR N N 15 119.8 0.1 . 1 . . . . 92 TYR N . 16010 1 517 . 1 1 93 93 PRO HA H 1 4.498 0.001 . 1 . . . . 93 PRO HA . 16010 1 518 . 1 1 93 93 PRO C C 13 176.3 0.1 . 1 . . . . 93 PRO C . 16010 1 519 . 1 1 93 93 PRO CA C 13 63.25 0.01 . 1 . . . . 93 PRO CA . 16010 1 520 . 1 1 93 93 PRO CB C 13 31.99 0.01 . 1 . . . . 93 PRO CB . 16010 1 521 . 1 1 94 94 ASN H H 1 8.360 0.001 . 1 . . . . 94 ASN H . 16010 1 522 . 1 1 94 94 ASN HA H 1 4.816 0.001 . 1 . . . . 94 ASN HA . 16010 1 523 . 1 1 94 94 ASN C C 13 175.4 0.1 . 1 . . . . 94 ASN C . 16010 1 524 . 1 1 94 94 ASN CA C 13 53.32 0.01 . 1 . . . . 94 ASN CA . 16010 1 525 . 1 1 94 94 ASN CB C 13 38.85 0.01 . 1 . . . . 94 ASN CB . 16010 1 526 . 1 1 94 94 ASN N N 15 118.3 0.1 . 1 . . . . 94 ASN N . 16010 1 527 . 1 1 95 95 CYS H H 1 8.348 0.001 . 1 . . . . 95 CYS H . 16010 1 528 . 1 1 95 95 CYS HA H 1 4.479 0.001 . 1 . . . . 95 CYS HA . 16010 1 529 . 1 1 95 95 CYS C C 13 174.2 0.1 . 1 . . . . 95 CYS C . 16010 1 530 . 1 1 95 95 CYS CA C 13 55.40 0.01 . 1 . . . . 95 CYS CA . 16010 1 531 . 1 1 95 95 CYS CB C 13 40.81 0.01 . 1 . . . . 95 CYS CB . 16010 1 532 . 1 1 95 95 CYS N N 15 118.6 0.1 . 1 . . . . 95 CYS N . 16010 1 533 . 1 1 96 96 ALA H H 1 8.268 0.001 . 1 . . . . 96 ALA H . 16010 1 534 . 1 1 96 96 ALA HA H 1 4.396 0.001 . 1 . . . . 96 ALA HA . 16010 1 535 . 1 1 96 96 ALA C C 13 177.0 0.1 . 1 . . . . 96 ALA C . 16010 1 536 . 1 1 96 96 ALA CA C 13 52.72 0.01 . 1 . . . . 96 ALA CA . 16010 1 537 . 1 1 96 96 ALA CB C 13 19.17 0.01 . 1 . . . . 96 ALA CB . 16010 1 538 . 1 1 96 96 ALA N N 15 124.5 0.1 . 1 . . . . 96 ALA N . 16010 1 539 . 1 1 97 97 TYR H H 1 7.945 0.001 . 1 . . . . 97 TYR H . 16010 1 540 . 1 1 97 97 TYR HA H 1 4.622 0.001 . 1 . . . . 97 TYR HA . 16010 1 541 . 1 1 97 97 TYR C C 13 175.7 0.1 . 1 . . . . 97 TYR C . 16010 1 542 . 1 1 97 97 TYR CA C 13 58.06 0.01 . 1 . . . . 97 TYR CA . 16010 1 543 . 1 1 97 97 TYR CB C 13 38.58 0.01 . 1 . . . . 97 TYR CB . 16010 1 544 . 1 1 97 97 TYR N N 15 119.0 0.1 . 1 . . . . 97 TYR N . 16010 1 545 . 1 1 98 98 LYS H H 1 8.185 0.001 . 1 . . . . 98 LYS H . 16010 1 546 . 1 1 98 98 LYS C C 13 176.5 0.1 . 1 . . . . 98 LYS C . 16010 1 547 . 1 1 98 98 LYS CA C 13 56.47 0.01 . 1 . . . . 98 LYS CA . 16010 1 548 . 1 1 98 98 LYS N N 15 119.1 0.1 . 1 . . . . 98 LYS N . 16010 1 549 . 1 1 99 99 THR H H 1 8.103 0.001 . 1 . . . . 99 THR H . 16010 1 550 . 1 1 99 99 THR HA H 1 4.436 0.001 . 1 . . . . 99 THR HA . 16010 1 551 . 1 1 99 99 THR C C 13 174.8 0.1 . 1 . . . . 99 THR C . 16010 1 552 . 1 1 99 99 THR CA C 13 62.03 0.01 . 1 . . . . 99 THR CA . 16010 1 553 . 1 1 99 99 THR CB C 13 69.85 0.01 . 1 . . . . 99 THR CB . 16010 1 554 . 1 1 99 99 THR N N 15 114.5 0.1 . 1 . . . . 99 THR N . 16010 1 555 . 1 1 100 100 THR H H 1 8.121 0.001 . 1 . . . . 100 THR H . 16010 1 556 . 1 1 100 100 THR HA H 1 4.537 0.001 . 1 . . . . 100 THR HA . 16010 1 557 . 1 1 100 100 THR C C 13 174.8 0.1 . 1 . . . . 100 THR C . 16010 1 558 . 1 1 100 100 THR CA C 13 62.26 0.01 . 1 . . . . 100 THR CA . 16010 1 559 . 1 1 100 100 THR CB C 13 69.72 0.01 . 1 . . . . 100 THR CB . 16010 1 560 . 1 1 100 100 THR N N 15 115.1 0.1 . 1 . . . . 100 THR N . 16010 1 561 . 1 1 101 101 GLN H H 1 8.274 0.001 . 1 . . . . 101 GLN H . 16010 1 562 . 1 1 101 101 GLN HA H 1 4.351 0.001 . 1 . . . . 101 GLN HA . 16010 1 563 . 1 1 101 101 GLN C C 13 176.0 0.1 . 1 . . . . 101 GLN C . 16010 1 564 . 1 1 101 101 GLN CA C 13 56.43 0.01 . 1 . . . . 101 GLN CA . 16010 1 565 . 1 1 101 101 GLN CB C 13 29.33 0.01 . 1 . . . . 101 GLN CB . 16010 1 566 . 1 1 101 101 GLN N N 15 121.1 0.1 . 1 . . . . 101 GLN N . 16010 1 567 . 1 1 102 102 ALA H H 1 8.171 0.001 . 1 . . . . 102 ALA H . 16010 1 568 . 1 1 102 102 ALA HA H 1 4.305 0.001 . 1 . . . . 102 ALA HA . 16010 1 569 . 1 1 102 102 ALA C C 13 177.5 0.1 . 1 . . . . 102 ALA C . 16010 1 570 . 1 1 102 102 ALA CA C 13 53.16 0.01 . 1 . . . . 102 ALA CA . 16010 1 571 . 1 1 102 102 ALA CB C 13 19.02 0.01 . 1 . . . . 102 ALA CB . 16010 1 572 . 1 1 102 102 ALA N N 15 123.6 0.1 . 1 . . . . 102 ALA N . 16010 1 573 . 1 1 103 103 ASN H H 1 8.170 0.001 . 1 . . . . 103 ASN H . 16010 1 574 . 1 1 103 103 ASN HA H 1 4.683 0.001 . 1 . . . . 103 ASN HA . 16010 1 575 . 1 1 103 103 ASN C C 13 175.4 0.1 . 1 . . . . 103 ASN C . 16010 1 576 . 1 1 103 103 ASN CA C 13 53.52 0.01 . 1 . . . . 103 ASN CA . 16010 1 577 . 1 1 103 103 ASN CB C 13 38.67 0.01 . 1 . . . . 103 ASN CB . 16010 1 578 . 1 1 103 103 ASN N N 15 116.6 0.1 . 1 . . . . 103 ASN N . 16010 1 579 . 1 1 104 104 LYS H H 1 8.077 0.001 . 1 . . . . 104 LYS H . 16010 1 580 . 1 1 104 104 LYS HA H 1 4.281 0.001 . 1 . . . . 104 LYS HA . 16010 1 581 . 1 1 104 104 LYS C C 13 176.3 0.1 . 1 . . . . 104 LYS C . 16010 1 582 . 1 1 104 104 LYS CA C 13 56.84 0.01 . 1 . . . . 104 LYS CA . 16010 1 583 . 1 1 104 104 LYS CB C 13 32.87 0.01 . 1 . . . . 104 LYS CB . 16010 1 584 . 1 1 104 104 LYS N N 15 120.2 0.1 . 1 . . . . 104 LYS N . 16010 1 585 . 1 1 105 105 HIS H H 1 8.333 0.001 . 1 . . . . 105 HIS H . 16010 1 586 . 1 1 105 105 HIS HA H 1 4.758 0.001 . 1 . . . . 105 HIS HA . 16010 1 587 . 1 1 105 105 HIS C C 13 174.2 0.1 . 1 . . . . 105 HIS C . 16010 1 588 . 1 1 105 105 HIS CA C 13 55.62 0.01 . 1 . . . . 105 HIS CA . 16010 1 589 . 1 1 105 105 HIS CB C 13 28.93 0.01 . 1 . . . . 105 HIS CB . 16010 1 590 . 1 1 105 105 HIS N N 15 117.6 0.1 . 1 . . . . 105 HIS N . 16010 1 591 . 1 1 106 106 ILE H H 1 8.015 0.001 . 1 . . . . 106 ILE H . 16010 1 592 . 1 1 106 106 ILE HA H 1 4.198 0.001 . 1 . . . . 106 ILE HA . 16010 1 593 . 1 1 106 106 ILE C C 13 175.5 0.1 . 1 . . . . 106 ILE C . 16010 1 594 . 1 1 106 106 ILE CA C 13 61.44 0.01 . 1 . . . . 106 ILE CA . 16010 1 595 . 1 1 106 106 ILE CB C 13 38.38 0.01 . 1 . . . . 106 ILE CB . 16010 1 596 . 1 1 106 106 ILE N N 15 120.8 0.1 . 1 . . . . 106 ILE N . 16010 1 597 . 1 1 107 107 ILE H H 1 8.100 0.001 . 1 . . . . 107 ILE H . 16010 1 598 . 1 1 107 107 ILE HA H 1 4.220 0.001 . 1 . . . . 107 ILE HA . 16010 1 599 . 1 1 107 107 ILE C C 13 176.0 0.1 . 1 . . . . 107 ILE C . 16010 1 600 . 1 1 107 107 ILE CA C 13 61.37 0.01 . 1 . . . . 107 ILE CA . 16010 1 601 . 1 1 107 107 ILE CB C 13 38.55 0.01 . 1 . . . . 107 ILE CB . 16010 1 602 . 1 1 107 107 ILE N N 15 124.0 0.1 . 1 . . . . 107 ILE N . 16010 1 603 . 1 1 108 108 VAL H H 1 8.119 0.001 . 1 . . . . 108 VAL H . 16010 1 604 . 1 1 108 108 VAL HA H 1 4.454 0.001 . 1 . . . . 108 VAL HA . 16010 1 605 . 1 1 108 108 VAL C C 13 175.5 0.1 . 1 . . . . 108 VAL C . 16010 1 606 . 1 1 108 108 VAL CA C 13 62.30 0.01 . 1 . . . . 108 VAL CA . 16010 1 607 . 1 1 108 108 VAL CB C 13 32.81 0.01 . 1 . . . . 108 VAL CB . 16010 1 608 . 1 1 108 108 VAL N N 15 123.0 0.1 . 1 . . . . 108 VAL N . 16010 1 609 . 1 1 109 109 ALA H H 1 8.183 0.001 . 1 . . . . 109 ALA H . 16010 1 610 . 1 1 109 109 ALA HA H 1 4.498 0.001 . 1 . . . . 109 ALA HA . 16010 1 611 . 1 1 109 109 ALA C C 13 177.5 0.1 . 1 . . . . 109 ALA C . 16010 1 612 . 1 1 109 109 ALA CA C 13 52.44 0.01 . 1 . . . . 109 ALA CA . 16010 1 613 . 1 1 109 109 ALA CB C 13 19.46 0.01 . 1 . . . . 109 ALA CB . 16010 1 614 . 1 1 109 109 ALA N N 15 126.1 0.1 . 1 . . . . 109 ALA N . 16010 1 615 . 1 1 110 110 CYS H H 1 8.293 0.001 . 1 . . . . 110 CYS H . 16010 1 616 . 1 1 110 110 CYS HA H 1 4.745 0.001 . 1 . . . . 110 CYS HA . 16010 1 617 . 1 1 110 110 CYS C C 13 174.7 0.1 . 1 . . . . 110 CYS C . 16010 1 618 . 1 1 110 110 CYS CA C 13 53.92 0.01 . 1 . . . . 110 CYS CA . 16010 1 619 . 1 1 110 110 CYS CB C 13 38.63 0.01 . 1 . . . . 110 CYS CB . 16010 1 620 . 1 1 110 110 CYS N N 15 117.2 0.1 . 1 . . . . 110 CYS N . 16010 1 621 . 1 1 111 111 GLU H H 1 8.057 0.001 . 1 . . . . 111 GLU H . 16010 1 622 . 1 1 111 111 GLU HA H 1 4.462 0.001 . 1 . . . . 111 GLU HA . 16010 1 623 . 1 1 111 111 GLU C C 13 176.0 0.1 . 1 . . . . 111 GLU C . 16010 1 624 . 1 1 111 111 GLU CA C 13 55.95 0.01 . 1 . . . . 111 GLU CA . 16010 1 625 . 1 1 111 111 GLU CB C 13 29.14 0.01 . 1 . . . . 111 GLU CB . 16010 1 626 . 1 1 111 111 GLU N N 15 121.2 0.1 . 1 . . . . 111 GLU N . 16010 1 627 . 1 1 112 112 GLY H H 1 8.213 0.001 . 1 . . . . 112 GLY H . 16010 1 628 . 1 1 112 112 GLY HA2 H 1 3.982 0.001 . 2 . . . . 112 GLY HA2 . 16010 1 629 . 1 1 112 112 GLY C C 13 173.0 0.1 . 1 . . . . 112 GLY C . 16010 1 630 . 1 1 112 112 GLY CA C 13 45.08 0.01 . 1 . . . . 112 GLY CA . 16010 1 631 . 1 1 112 112 GLY N N 15 108.7 0.1 . 1 . . . . 112 GLY N . 16010 1 632 . 1 1 113 113 ASN H H 1 8.153 0.001 . 1 . . . . 113 ASN H . 16010 1 633 . 1 1 113 113 ASN HA H 1 5.018 0.001 . 1 . . . . 113 ASN HA . 16010 1 634 . 1 1 113 113 ASN CA C 13 51.03 0.01 . 1 . . . . 113 ASN CA . 16010 1 635 . 1 1 113 113 ASN CB C 13 39.26 0.01 . 1 . . . . 113 ASN CB . 16010 1 636 . 1 1 113 113 ASN N N 15 118.8 0.1 . 1 . . . . 113 ASN N . 16010 1 637 . 1 1 114 114 PRO HA H 1 4.456 0.001 . 1 . . . . 114 PRO HA . 16010 1 638 . 1 1 114 114 PRO C C 13 176.1 0.1 . 1 . . . . 114 PRO C . 16010 1 639 . 1 1 114 114 PRO CA C 13 63.40 0.01 . 1 . . . . 114 PRO CA . 16010 1 640 . 1 1 114 114 PRO CB C 13 31.97 0.01 . 1 . . . . 114 PRO CB . 16010 1 641 . 1 1 115 115 TYR H H 1 8.075 0.001 . 1 . . . . 115 TYR H . 16010 1 642 . 1 1 115 115 TYR HA H 1 4.574 0.001 . 1 . . . . 115 TYR HA . 16010 1 643 . 1 1 115 115 TYR C C 13 175.1 0.1 . 1 . . . . 115 TYR C . 16010 1 644 . 1 1 115 115 TYR CA C 13 57.94 0.01 . 1 . . . . 115 TYR CA . 16010 1 645 . 1 1 115 115 TYR CB C 13 38.52 0.01 . 1 . . . . 115 TYR CB . 16010 1 646 . 1 1 115 115 TYR N N 15 119.3 0.1 . 1 . . . . 115 TYR N . 16010 1 647 . 1 1 116 116 VAL H H 1 7.631 0.001 . 1 . . . . 116 VAL H . 16010 1 648 . 1 1 116 116 VAL HA H 1 4.395 0.001 . 1 . . . . 116 VAL HA . 16010 1 649 . 1 1 116 116 VAL CA C 13 59.36 0.01 . 1 . . . . 116 VAL CA . 16010 1 650 . 1 1 116 116 VAL CB C 13 33.15 0.01 . 1 . . . . 116 VAL CB . 16010 1 651 . 1 1 116 116 VAL N N 15 122.7 0.1 . 1 . . . . 116 VAL N . 16010 1 652 . 1 1 117 117 PRO HA H 1 4.430 0.001 . 1 . . . . 117 PRO HA . 16010 1 653 . 1 1 117 117 PRO C C 13 176.3 0.1 . 1 . . . . 117 PRO C . 16010 1 654 . 1 1 117 117 PRO CA C 13 63.03 0.01 . 1 . . . . 117 PRO CA . 16010 1 655 . 1 1 117 117 PRO CB C 13 31.91 0.01 . 1 . . . . 117 PRO CB . 16010 1 656 . 1 1 118 118 VAL H H 1 7.868 0.001 . 1 . . . . 118 VAL H . 16010 1 657 . 1 1 118 118 VAL HA H 1 4.083 0.001 . 1 . . . . 118 VAL HA . 16010 1 658 . 1 1 118 118 VAL C C 13 175.6 0.1 . 1 . . . . 118 VAL C . 16010 1 659 . 1 1 118 118 VAL CA C 13 62.05 0.01 . 1 . . . . 118 VAL CA . 16010 1 660 . 1 1 118 118 VAL CB C 13 33.02 0.01 . 1 . . . . 118 VAL CB . 16010 1 661 . 1 1 118 118 VAL N N 15 119.0 0.1 . 1 . . . . 118 VAL N . 16010 1 662 . 1 1 119 119 HIS H H 1 8.283 0.001 . 1 . . . . 119 HIS H . 16010 1 663 . 1 1 119 119 HIS HA H 1 4.781 0.001 . 1 . . . . 119 HIS HA . 16010 1 664 . 1 1 119 119 HIS C C 13 173.6 0.1 . 1 . . . . 119 HIS C . 16010 1 665 . 1 1 119 119 HIS CA C 13 54.80 0.01 . 1 . . . . 119 HIS CA . 16010 1 666 . 1 1 119 119 HIS CB C 13 29.33 0.01 . 1 . . . . 119 HIS CB . 16010 1 667 . 1 1 119 119 HIS N N 15 120.8 0.1 . 1 . . . . 119 HIS N . 16010 1 668 . 1 1 120 120 PHE H H 1 8.228 0.001 . 1 . . . . 120 PHE H . 16010 1 669 . 1 1 120 120 PHE HA H 1 4.648 0.001 . 1 . . . . 120 PHE HA . 16010 1 670 . 1 1 120 120 PHE C C 13 175.1 0.1 . 1 . . . . 120 PHE C . 16010 1 671 . 1 1 120 120 PHE CA C 13 57.76 0.01 . 1 . . . . 120 PHE CA . 16010 1 672 . 1 1 120 120 PHE CB C 13 39.89 0.01 . 1 . . . . 120 PHE CB . 16010 1 673 . 1 1 120 120 PHE N N 15 121.8 0.1 . 1 . . . . 120 PHE N . 16010 1 674 . 1 1 121 121 ASP H H 1 8.333 0.001 . 1 . . . . 121 ASP H . 16010 1 675 . 1 1 121 121 ASP HA H 1 4.725 0.001 . 1 . . . . 121 ASP HA . 16010 1 676 . 1 1 121 121 ASP C C 13 174.2 0.1 . 1 . . . . 121 ASP C . 16010 1 677 . 1 1 121 121 ASP CA C 13 52.74 0.01 . 1 . . . . 121 ASP CA . 16010 1 678 . 1 1 121 121 ASP CB C 13 38.31 0.01 . 1 . . . . 121 ASP CB . 16010 1 679 . 1 1 121 121 ASP N N 15 120.8 0.1 . 1 . . . . 121 ASP N . 16010 1 680 . 1 1 122 122 ALA H H 1 8.078 0.001 . 1 . . . . 122 ALA H . 16010 1 681 . 1 1 122 122 ALA HA H 1 4.391 0.001 . 1 . . . . 122 ALA HA . 16010 1 682 . 1 1 122 122 ALA C C 13 177.1 0.1 . 1 . . . . 122 ALA C . 16010 1 683 . 1 1 122 122 ALA CA C 13 52.51 0.01 . 1 . . . . 122 ALA CA . 16010 1 684 . 1 1 122 122 ALA CB C 13 19.44 0.01 . 1 . . . . 122 ALA CB . 16010 1 685 . 1 1 122 122 ALA N N 15 124.2 0.1 . 1 . . . . 122 ALA N . 16010 1 686 . 1 1 123 123 SER H H 1 8.103 0.001 . 1 . . . . 123 SER H . 16010 1 687 . 1 1 123 123 SER HA H 1 4.561 0.001 . 1 . . . . 123 SER HA . 16010 1 688 . 1 1 123 123 SER C C 13 174.0 0.1 . 1 . . . . 123 SER C . 16010 1 689 . 1 1 123 123 SER CA C 13 58.29 0.01 . 1 . . . . 123 SER CA . 16010 1 690 . 1 1 123 123 SER CB C 13 63.96 0.01 . 1 . . . . 123 SER CB . 16010 1 691 . 1 1 123 123 SER N N 15 114.4 0.1 . 1 . . . . 123 SER N . 16010 1 692 . 1 1 124 124 VAL H H 1 7.856 0.001 . 1 . . . . 124 VAL H . 16010 1 693 . 1 1 124 124 VAL HA H 1 4.329 0.001 . 1 . . . . 124 VAL HA . 16010 1 694 . 1 1 124 124 VAL CA C 13 61.07 0.01 . 1 . . . . 124 VAL CA . 16010 1 695 . 1 1 124 124 VAL CB C 13 32.91 0.01 . 1 . . . . 124 VAL CB . 16010 1 696 . 1 1 124 124 VAL N N 15 119.4 0.1 . 1 . . . . 124 VAL N . 16010 1 stop_ save_