################################### # 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 16503 _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 0.005 _Assigned_chem_shift_list.Chem_shift_13C_err 0.05 _Assigned_chem_shift_list.Chem_shift_15N_err 0.08 _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 'standard deviation of values assigned in multiple spectra.' _Assigned_chem_shift_list.Details "Note: the uncertainty for C' is 0.1 ppm; it is higher than the values for CA and CB (whose value is 0.05ppm), because C' assignments are based on only 1 spectrum" _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' . . . 16503 1 2 '2D 1H-13C HSQC' . . . 16503 1 3 '2D 1H-1H TOCSY' . . . 16503 1 4 '2D 1H-1H NOESY' . . . 16503 1 5 '3D CBCA(CO)NH' . . . 16503 1 6 '3D HNCO' . . . 16503 1 7 '3D HNCA' . . . 16503 1 8 '3D HNCACB' . . . 16503 1 9 '3D HN(CO)CA' . . . 16503 1 10 '3D HN(COCA)CB' . . . 16503 1 11 '1H-15N HSQC side chain filtered' . . . 16503 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 $SPARKY . . 16503 1 2 $TOPSPIN . . 16503 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 4.152 0.005 . 1 . . . . 1 LYS HA . 16503 1 2 . 1 1 1 1 LYS C C 13 172.4 0.1 . 1 . . . . 1 LYS C . 16503 1 3 . 1 1 1 1 LYS CA C 13 55.78 0.05 . 1 . . . . 1 LYS CA . 16503 1 4 . 1 1 1 1 LYS CB C 13 33.22 0.05 . 1 . . . . 1 LYS CB . 16503 1 5 . 1 1 2 2 GLU H H 1 8.715 0.005 . 1 . . . . 2 GLU H . 16503 1 6 . 1 1 2 2 GLU HA H 1 4.613 0.005 . 1 . . . . 2 GLU HA . 16503 1 7 . 1 1 2 2 GLU C C 13 175.7 0.1 . 1 . . . . 2 GLU C . 16503 1 8 . 1 1 2 2 GLU CA C 13 55.81 0.05 . 1 . . . . 2 GLU CA . 16503 1 9 . 1 1 2 2 GLU CB C 13 29.31 0.05 . 1 . . . . 2 GLU CB . 16503 1 10 . 1 1 2 2 GLU N N 15 122.9 0.08 . 1 . . . . 2 GLU N . 16503 1 11 . 1 1 3 3 THR H H 1 8.198 0.005 . 1 . . . . 3 THR H . 16503 1 12 . 1 1 3 3 THR HA H 1 4.468 0.005 . 1 . . . . 3 THR HA . 16503 1 13 . 1 1 3 3 THR C C 13 174.4 0.1 . 1 . . . . 3 THR C . 16503 1 14 . 1 1 3 3 THR CA C 13 61.41 0.05 . 1 . . . . 3 THR CA . 16503 1 15 . 1 1 3 3 THR CB C 13 70.40 0.05 . 1 . . . . 3 THR CB . 16503 1 16 . 1 1 3 3 THR N N 15 115.4 0.08 . 1 . . . . 3 THR N . 16503 1 17 . 1 1 4 4 ALA H H 1 8.417 0.005 . 1 . . . . 4 ALA H . 16503 1 18 . 1 1 4 4 ALA HA H 1 4.292 0.005 . 1 . . . . 4 ALA HA . 16503 1 19 . 1 1 4 4 ALA C C 13 178.0 0.1 . 1 . . . . 4 ALA C . 16503 1 20 . 1 1 4 4 ALA CA C 13 53.50 0.05 . 1 . . . . 4 ALA CA . 16503 1 21 . 1 1 4 4 ALA CB C 13 18.81 0.05 . 1 . . . . 4 ALA CB . 16503 1 22 . 1 1 4 4 ALA N N 15 125.2 0.08 . 1 . . . . 4 ALA N . 16503 1 23 . 1 1 5 5 ALA H H 1 8.148 0.005 . 1 . . . . 5 ALA H . 16503 1 24 . 1 1 5 5 ALA HA H 1 4.271 0.005 . 1 . . . . 5 ALA HA . 16503 1 25 . 1 1 5 5 ALA C C 13 178.2 0.1 . 1 . . . . 5 ALA C . 16503 1 26 . 1 1 5 5 ALA CA C 13 53.5 0.05 . 1 . . . . 5 ALA CA . 16503 1 27 . 1 1 5 5 ALA CB C 13 18.85 0.05 . 1 . . . . 5 ALA CB . 16503 1 28 . 1 1 5 5 ALA N N 15 121.3 0.08 . 1 . . . . 5 ALA N . 16503 1 29 . 1 1 6 6 ALA H H 1 7.96 0.005 . 1 . . . . 6 ALA H . 16503 1 30 . 1 1 6 6 ALA HA H 1 4.242 0.005 . 1 . . . . 6 ALA HA . 16503 1 31 . 1 1 6 6 ALA C C 13 178.6 0.1 . 1 . . . . 6 ALA C . 16503 1 32 . 1 1 6 6 ALA CA C 13 53.62 0.05 . 1 . . . . 6 ALA CA . 16503 1 33 . 1 1 6 6 ALA CB C 13 18.86 0.05 . 1 . . . . 6 ALA CB . 16503 1 34 . 1 1 6 6 ALA N N 15 121.6 0.08 . 1 . . . . 6 ALA N . 16503 1 35 . 1 1 7 7 LYS H H 1 7.979 0.005 . 1 . . . . 7 LYS H . 16503 1 36 . 1 1 7 7 LYS HA H 1 4.148 0.005 . 1 . . . . 7 LYS HA . 16503 1 37 . 1 1 7 7 LYS C C 13 177.1 0.05 . 1 . . . . 7 LYS C . 16503 1 38 . 1 1 7 7 LYS CA C 13 57.80 0.05 . 1 . . . . 7 LYS CA . 16503 1 39 . 1 1 7 7 LYS CB C 13 32.77 0.05 . 1 . . . . 7 LYS CB . 16503 1 40 . 1 1 7 7 LYS N N 15 118.6 0.08 . 1 . . . . 7 LYS N . 16503 1 41 . 1 1 8 8 PHE H H 1 8.017 0.005 . 1 . . . . 8 PHE H . 16503 1 42 . 1 1 8 8 PHE HA H 1 4.576 0.005 . 1 . . . . 8 PHE HA . 16503 1 43 . 1 1 8 8 PHE C C 13 176.6 0.1 . 1 . . . . 8 PHE C . 16503 1 44 . 1 1 8 8 PHE CA C 13 58.79 0.05 . 1 . . . . 8 PHE CA . 16503 1 45 . 1 1 8 8 PHE CB C 13 39.31 0.05 . 1 . . . . 8 PHE CB . 16503 1 46 . 1 1 8 8 PHE N N 15 118.9 0.08 . 1 . . . . 8 PHE N . 16503 1 47 . 1 1 9 9 GLU H H 1 8.137 0.005 . 1 . . . . 9 GLU H . 16503 1 48 . 1 1 9 9 GLU HA H 1 4.333 0.005 . 1 . . . . 9 GLU HA . 16503 1 49 . 1 1 9 9 GLU C C 13 176.7 0.1 . 1 . . . . 9 GLU C . 16503 1 50 . 1 1 9 9 GLU CA C 13 56.87 0.05 . 1 . . . . 9 GLU CA . 16503 1 51 . 1 1 9 9 GLU CB C 13 28.68 0.05 . 1 . . . . 9 GLU CB . 16503 1 52 . 1 1 9 9 GLU N N 15 120.4 0.08 . 1 . . . . 9 GLU N . 16503 1 53 . 1 1 10 10 ARG H H 1 8.181 0.005 . 1 . . . . 10 ARG H . 16503 1 54 . 1 1 10 10 ARG HA H 1 4.274 0.005 . 1 . . . . 10 ARG HA . 16503 1 55 . 1 1 10 10 ARG C C 13 176.8 0.1 . 1 . . . . 10 ARG C . 16503 1 56 . 1 1 10 10 ARG CA C 13 57.17 0.05 . 1 . . . . 10 ARG CA . 16503 1 57 . 1 1 10 10 ARG CB C 13 30.47 0.05 . 1 . . . . 10 ARG CB . 16503 1 58 . 1 1 10 10 ARG N N 15 120.5 0.08 . 1 . . . . 10 ARG N . 16503 1 59 . 1 1 11 11 GLN H H 1 8.172 0.005 . 1 . . . . 11 GLN H . 16503 1 60 . 1 1 11 11 GLN HA H 1 4.279 0.005 . 1 . . . . 11 GLN HA . 16503 1 61 . 1 1 11 11 GLN C C 13 176.2 0.1 . 1 . . . . 11 GLN C . 16503 1 62 . 1 1 11 11 GLN CA C 13 56.66 0.05 . 1 . . . . 11 GLN CA . 16503 1 63 . 1 1 11 11 GLN CB C 13 29.30 0.05 . 1 . . . . 11 GLN CB . 16503 1 64 . 1 1 11 11 GLN N N 15 119.0 0.08 . 1 . . . . 11 GLN N . 16503 1 65 . 1 1 12 12 HIS H H 1 8.276 0.005 . 1 . . . . 12 HIS H . 16503 1 66 . 1 1 12 12 HIS HA H 1 4.687 0.005 . 1 . . . . 12 HIS HA . 16503 1 67 . 1 1 12 12 HIS C C 13 174.5 0.1 . 1 . . . . 12 HIS C . 16503 1 68 . 1 1 12 12 HIS CA C 13 55.84 0.05 . 1 . . . . 12 HIS CA . 16503 1 69 . 1 1 12 12 HIS CB C 13 28.74 0.05 . 1 . . . . 12 HIS CB . 16503 1 70 . 1 1 12 12 HIS N N 15 117.8 0.08 . 1 . . . . 12 HIS N . 16503 1 71 . 1 1 13 13 MET H H 1 8.233 0.005 . 1 . . . . 13 MET H . 16503 1 72 . 1 1 13 13 MET HA H 1 4.490 0.005 . 1 . . . . 13 MET HA . 16503 1 73 . 1 1 13 13 MET C C 13 176.0 0.1 . 1 . . . . 13 MET C . 16503 1 74 . 1 1 13 13 MET CA C 13 56.12 0.05 . 1 . . . . 13 MET CA . 16503 1 75 . 1 1 13 13 MET CB C 13 33.01 0.05 . 1 . . . . 13 MET CB . 16503 1 76 . 1 1 13 13 MET N N 15 120.7 0.08 . 1 . . . . 13 MET N . 16503 1 77 . 1 1 14 14 ASP H H 1 8.416 0.005 . 1 . . . . 14 ASP H . 16503 1 78 . 1 1 14 14 ASP HA H 1 4.800 0.005 . 1 . . . . 14 ASP HA . 16503 1 79 . 1 1 14 14 ASP C C 13 175.3 0.1 . 1 . . . . 14 ASP C . 16503 1 80 . 1 1 14 14 ASP CA C 13 53.35 0.05 . 1 . . . . 14 ASP CA . 16503 1 81 . 1 1 14 14 ASP CB C 13 38.39 0.05 . 1 . . . . 14 ASP CB . 16503 1 82 . 1 1 14 14 ASP N N 15 119.8 0.08 . 1 . . . . 14 ASP N . 16503 1 83 . 1 1 15 15 SER H H 1 8.216 0.005 . 1 . . . . 15 SER H . 16503 1 84 . 1 1 15 15 SER HA H 1 4.513 0.005 . 1 . . . . 15 SER HA . 16503 1 85 . 1 1 15 15 SER C C 13 174.8 0.1 . 1 . . . . 15 SER C . 16503 1 86 . 1 1 15 15 SER CA C 13 58.73 0.05 . 1 . . . . 15 SER CA . 16503 1 87 . 1 1 15 15 SER CB C 13 63.86 0.05 . 1 . . . . 15 SER CB . 16503 1 88 . 1 1 15 15 SER N N 15 115.8 0.08 . 1 . . . . 15 SER N . 16503 1 89 . 1 1 16 16 SER H H 1 8.284 0.005 . 1 . . . . 16 SER H . 16503 1 90 . 1 1 16 16 SER HA H 1 4.570 0.005 . 1 . . . . 16 SER HA . 16503 1 91 . 1 1 16 16 SER C C 13 175.1 0.1 . 1 . . . . 16 SER C . 16503 1 92 . 1 1 16 16 SER CA C 13 58.99 0.05 . 1 . . . . 16 SER CA . 16503 1 93 . 1 1 16 16 SER CB C 13 63.75 0.05 . 1 . . . . 16 SER CB . 16503 1 94 . 1 1 16 16 SER N N 15 117.2 0.08 . 1 . . . . 16 SER N . 16503 1 95 . 1 1 17 17 THR H H 1 8.098 0.005 . 1 . . . . 17 THR H . 16503 1 96 . 1 1 17 17 THR HA H 1 4.436 0.005 . 1 . . . . 17 THR HA . 16503 1 97 . 1 1 17 17 THR C C 13 175.0 0.1 . 1 . . . . 17 THR C . 16503 1 98 . 1 1 17 17 THR CA C 13 62.38 0.05 . 1 . . . . 17 THR CA . 16503 1 99 . 1 1 17 17 THR CB C 13 69.61 0.05 . 1 . . . . 17 THR CB . 16503 1 100 . 1 1 17 17 THR N N 15 114.7 0.08 . 1 . . . . 17 THR N . 16503 1 101 . 1 1 18 18 SER H H 1 8.187 0.005 . 1 . . . . 18 SER H . 16503 1 102 . 1 1 18 18 SER HA H 1 4.526 0.005 . 1 . . . . 18 SER HA . 16503 1 103 . 1 1 18 18 SER C C 13 175.0 0.1 . 1 . . . . 18 SER C . 16503 1 104 . 1 1 18 18 SER CA C 13 58.92 0.05 . 1 . . . . 18 SER CA . 16503 1 105 . 1 1 18 18 SER CB C 13 63.85 0.05 . 1 . . . . 18 SER CB . 16503 1 106 . 1 1 18 18 SER N N 15 117.4 0.08 . 1 . . . . 18 SER N . 16503 1 107 . 1 1 19 19 ALA H H 1 8.252 0.005 . 1 . . . . 19 ALA H . 16503 1 108 . 1 1 19 19 ALA HA H 1 4.337 0.005 . 1 . . . . 19 ALA HA . 16503 1 109 . 1 1 19 19 ALA C C 13 178.1 0.1 . 1 . . . . 19 ALA C . 16503 1 110 . 1 1 19 19 ALA CA C 13 53.44 0.05 . 1 . . . . 19 ALA CA . 16503 1 111 . 1 1 19 19 ALA CB C 13 18.85 0.05 . 1 . . . . 19 ALA CB . 16503 1 112 . 1 1 19 19 ALA N N 15 125.5 0.08 . 1 . . . . 19 ALA N . 16503 1 113 . 1 1 20 20 ALA H H 1 8.099 0.005 . 1 . . . . 20 ALA H . 16503 1 114 . 1 1 20 20 ALA HA H 1 4.336 0.005 . 1 . . . . 20 ALA HA . 16503 1 115 . 1 1 20 20 ALA C C 13 178.3 0.1 . 1 . . . . 20 ALA C . 16503 1 116 . 1 1 20 20 ALA CA C 13 53.28 0.05 . 1 . . . . 20 ALA CA . 16503 1 117 . 1 1 20 20 ALA CB C 13 18.86 0.05 . 1 . . . . 20 ALA CB . 16503 1 118 . 1 1 20 20 ALA N N 15 121.5 0.08 . 1 . . . . 20 ALA N . 16503 1 119 . 1 1 21 21 SER H H 1 8.085 0.005 . 1 . . . . 21 SER H . 16503 1 120 . 1 1 21 21 SER HA H 1 4.500 0.005 . 1 . . . . 21 SER HA . 16503 1 121 . 1 1 21 21 SER C C 13 175.4 0.1 . 1 . . . . 21 SER C . 16503 1 122 . 1 1 21 21 SER CA C 13 59.18 0.05 . 1 . . . . 21 SER CA . 16503 1 123 . 1 1 21 21 SER CB C 13 63.82 0.05 . 1 . . . . 21 SER CB . 16503 1 124 . 1 1 21 21 SER N N 15 113.7 0.08 . 1 . . . . 21 SER N . 16503 1 125 . 1 1 22 22 SER H H 1 8.218 0.005 . 1 . . . . 22 SER H . 16503 1 126 . 1 1 22 22 SER HA H 1 4.520 0.005 . 1 . . . . 22 SER HA . 16503 1 127 . 1 1 22 22 SER C C 13 175.6 0.1 . 1 . . . . 22 SER C . 16503 1 128 . 1 1 22 22 SER CA C 13 59.43 0.05 . 1 . . . . 22 SER CA . 16503 1 129 . 1 1 22 22 SER CB C 13 63.69 0.05 . 1 . . . . 22 SER CB . 16503 1 130 . 1 1 22 22 SER N N 15 117.2 0.08 . 1 . . . . 22 SER N . 16503 1 131 . 1 1 23 23 SER H H 1 8.200 0.005 . 1 . . . . 23 SER H . 16503 1 132 . 1 1 23 23 SER HA H 1 4.469 0.005 . 1 . . . . 23 SER HA . 16503 1 133 . 1 1 23 23 SER C C 13 175.0 0.1 . 1 . . . . 23 SER C . 16503 1 134 . 1 1 23 23 SER CA C 13 59.53 0.05 . 1 . . . . 23 SER CA . 16503 1 135 . 1 1 23 23 SER CB C 13 63.58 0.05 . 1 . . . . 23 SER CB . 16503 1 136 . 1 1 23 23 SER N N 15 117.0 0.08 . 1 . . . . 23 SER N . 16503 1 137 . 1 1 24 24 ASN H H 1 8.272 0.005 . 1 . . . . 24 ASN H . 16503 1 138 . 1 1 24 24 ASN HA H 1 4.736 0.005 . 1 . . . . 24 ASN HA . 16503 1 139 . 1 1 24 24 ASN C C 13 176.1 0.1 . 1 . . . . 24 ASN C . 16503 1 140 . 1 1 24 24 ASN CA C 13 54.60 0.05 . 1 . . . . 24 ASN CA . 16503 1 141 . 1 1 24 24 ASN CB C 13 38.73 0.05 . 1 . . . . 24 ASN CB . 16503 1 142 . 1 1 24 24 ASN N N 15 120.5 0.08 . 1 . . . . 24 ASN N . 16503 1 143 . 1 1 25 25 TYR H H 1 8.192 0.005 . 1 . . . . 25 TYR H . 16503 1 144 . 1 1 25 25 TYR HA H 1 4.366 0.005 . 1 . . . . 25 TYR HA . 16503 1 145 . 1 1 25 25 TYR C C 13 177.1 0.1 . 1 . . . . 25 TYR C . 16503 1 146 . 1 1 25 25 TYR CA C 13 60.57 0.05 . 1 . . . . 25 TYR CA . 16503 1 147 . 1 1 25 25 TYR CB C 13 38.51 0.05 . 1 . . . . 25 TYR CB . 16503 1 148 . 1 1 25 25 TYR N N 15 120.7 0.08 . 1 . . . . 25 TYR N . 16503 1 149 . 1 1 26 26 CYS H H 1 8.396 0.005 . 1 . . . . 26 CYS H . 16503 1 150 . 1 1 26 26 CYS HA H 1 4.470 0.005 . 1 . . . . 26 CYS HA . 16503 1 151 . 1 1 26 26 CYS C C 13 176.0 0.1 . 1 . . . . 26 CYS C . 16503 1 152 . 1 1 26 26 CYS CA C 13 57.20 0.05 . 1 . . . . 26 CYS CA . 16503 1 153 . 1 1 26 26 CYS N N 15 117.4 0.08 . 1 . . . . 26 CYS N . 16503 1 154 . 1 1 27 27 ASN H H 1 8.314 0.005 . 1 . . . . 27 ASN H . 16503 1 155 . 1 1 27 27 ASN C C 13 177.9 0.1 . 1 . . . . 27 ASN C . 16503 1 156 . 1 1 27 27 ASN CA C 13 55.48 0.05 . 1 . . . . 27 ASN CA . 16503 1 157 . 1 1 27 27 ASN CB C 13 38.43 0.05 . 1 . . . . 27 ASN CB . 16503 1 158 . 1 1 27 27 ASN N N 15 119.2 0.08 . 1 . . . . 27 ASN N . 16503 1 159 . 1 1 28 28 GLN H H 1 8.188 0.005 . 1 . . . . 28 GLN H . 16503 1 160 . 1 1 28 28 GLN HA H 1 4.245 0.05 . 1 . . . . 28 GLN HA . 16503 1 161 . 1 1 28 28 GLN C C 13 177.9 0.1 . 1 . . . . 28 GLN C . 16503 1 162 . 1 1 28 28 GLN CA C 13 57.43 0.05 . 1 . . . . 28 GLN CA . 16503 1 163 . 1 1 28 28 GLN CB C 13 28.32 0.05 . 1 . . . . 28 GLN CB . 16503 1 164 . 1 1 28 28 GLN N N 15 119.0 0.08 . 1 . . . . 28 GLN N . 16503 1 165 . 1 1 29 29 MET H H 1 8.098 0.005 . 1 . . . . 29 MET H . 16503 1 166 . 1 1 29 29 MET HA H 1 4.364 0.005 . 1 . . . . 29 MET HA . 16503 1 167 . 1 1 29 29 MET C C 13 177.9 0.1 . 1 . . . . 29 MET C . 16503 1 168 . 1 1 29 29 MET CA C 13 57.34 0.05 . 1 . . . . 29 MET CA . 16503 1 169 . 1 1 29 29 MET CB C 13 32.03 0.05 . 1 . . . . 29 MET CB . 16503 1 170 . 1 1 29 29 MET N N 15 118.5 0.08 . 1 . . . . 29 MET N . 16503 1 171 . 1 1 30 30 MET H H 1 8.074 0.005 . 1 . . . . 30 MET H . 16503 1 172 . 1 1 30 30 MET HA H 1 4.403 0.005 . 1 . . . . 30 MET HA . 16503 1 173 . 1 1 30 30 MET C C 13 177.5 0.1 . 1 . . . . 30 MET C . 16503 1 174 . 1 1 30 30 MET CA C 13 57.06 0.05 . 1 . . . . 30 MET CA . 16503 1 175 . 1 1 30 30 MET CB C 13 32.42 0.05 . 1 . . . . 30 MET CB . 16503 1 176 . 1 1 30 30 MET N N 15 118.5 0.08 . 1 . . . . 30 MET N . 16503 1 177 . 1 1 31 31 LYS H H 1 7.920 0.005 . 1 . . . . 31 LYS H . 16503 1 178 . 1 1 31 31 LYS HA H 1 4.253 0.005 . 1 . . . . 31 LYS HA . 16503 1 179 . 1 1 31 31 LYS C C 13 177.4 0.1 . 1 . . . . 31 LYS C . 16503 1 180 . 1 1 31 31 LYS CA C 13 57.86 0.05 . 1 . . . . 31 LYS CA . 16503 1 181 . 1 1 31 31 LYS CB C 13 32.66 0.05 . 1 . . . . 31 LYS CB . 16503 1 182 . 1 1 31 31 LYS N N 15 119.4 0.08 . 1 . . . . 31 LYS N . 16503 1 183 . 1 1 32 32 SER H H 1 7.953 0.005 . 1 . . . . 32 SER H . 16503 1 184 . 1 1 32 32 SER HA H 1 4.424 0.005 . 1 . . . . 32 SER HA . 16503 1 185 . 1 1 32 32 SER C C 13 175.3 0.1 . 1 . . . . 32 SER C . 16503 1 186 . 1 1 32 32 SER CA C 13 59.47 0.05 . 1 . . . . 32 SER CA . 16503 1 187 . 1 1 32 32 SER CB C 13 63.77 0.05 . 1 . . . . 32 SER CB . 16503 1 188 . 1 1 32 32 SER N N 15 114.1 0.08 . 1 . . . . 32 SER N . 16503 1 189 . 1 1 33 33 ARG H H 1 8.111 0.005 . 1 . . . . 33 ARG H . 16503 1 190 . 1 1 33 33 ARG HA H 1 4.326 0.005 . 1 . . . . 33 ARG HA . 16503 1 191 . 1 1 33 33 ARG C C 13 176.4 0.1 . 1 . . . . 33 ARG C . 16503 1 192 . 1 1 33 33 ARG CA C 13 57.09 0.05 . 1 . . . . 33 ARG CA . 16503 1 193 . 1 1 33 33 ARG CB C 13 30.39 0.05 . 1 . . . . 33 ARG CB . 16503 1 194 . 1 1 33 33 ARG N N 15 121.6 0.08 . 1 . . . . 33 ARG N . 16503 1 195 . 1 1 34 34 ASN H H 1 8.238 0.005 . 1 . . . . 34 ASN H . 16503 1 196 . 1 1 34 34 ASN HA H 1 4.705 0.005 . 1 . . . . 34 ASN HA . 16503 1 197 . 1 1 34 34 ASN C C 13 175.6 0.1 . 1 . . . . 34 ASN C . 16503 1 198 . 1 1 34 34 ASN CA C 13 53.93 0.05 . 1 . . . . 34 ASN CA . 16503 1 199 . 1 1 34 34 ASN CB C 13 38.59 0.05 . 1 . . . . 34 ASN CB . 16503 1 200 . 1 1 34 34 ASN N N 15 117.9 0.08 . 1 . . . . 34 ASN N . 16503 1 201 . 1 1 35 35 LEU H H 1 8.056 0.005 . 1 . . . . 35 LEU H . 16503 1 202 . 1 1 35 35 LEU HA H 1 4.413 0.005 . 1 . . . . 35 LEU HA . 16503 1 203 . 1 1 35 35 LEU C C 13 177.7 0.1 . 1 . . . . 35 LEU C . 16503 1 204 . 1 1 35 35 LEU CA C 13 55.88 0.05 . 1 . . . . 35 LEU CA . 16503 1 205 . 1 1 35 35 LEU CB C 13 42.20 0.05 . 1 . . . . 35 LEU CB . 16503 1 206 . 1 1 35 35 LEU N N 15 121.0 0.08 . 1 . . . . 35 LEU N . 16503 1 207 . 1 1 36 36 THR H H 1 7.923 0.005 . 1 . . . . 36 THR H . 16503 1 208 . 1 1 36 36 THR HA H 1 4.356 0.005 . 1 . . . . 36 THR HA . 16503 1 209 . 1 1 36 36 THR C C 13 175.0 0.1 . 1 . . . . 36 THR C . 16503 1 210 . 1 1 36 36 THR CA C 13 62.65 0.05 . 1 . . . . 36 THR CA . 16503 1 211 . 1 1 36 36 THR CB C 13 69.74 0.05 . 1 . . . . 36 THR CB . 16503 1 212 . 1 1 36 36 THR N N 15 112.3 0.08 . 1 . . . . 36 THR N . 16503 1 213 . 1 1 37 37 LYS H H 1 8.063 0.005 . 1 . . . . 37 LYS H . 16503 1 214 . 1 1 37 37 LYS HA H 1 4.566 0.005 . 1 . . . . 37 LYS HA . 16503 1 215 . 1 1 37 37 LYS C C 13 176.4 0.1 . 1 . . . . 37 LYS C . 16503 1 216 . 1 1 37 37 LYS CA C 13 56.93 0.05 . 1 . . . . 37 LYS CA . 16503 1 217 . 1 1 37 37 LYS CB C 13 32.69 0.05 . 1 . . . . 37 LYS CB . 16503 1 218 . 1 1 37 37 LYS N N 15 121.4 0.08 . 1 . . . . 37 LYS N . 16503 1 219 . 1 1 38 38 ASP H H 1 8.245 0.005 . 1 . . . . 38 ASP H . 16503 1 220 . 1 1 38 38 ASP HA H 1 4.770 0.005 . 1 . . . . 38 ASP HA . 16503 1 221 . 1 1 38 38 ASP C C 13 175.1 0.1 . 1 . . . . 38 ASP C . 16503 1 222 . 1 1 38 38 ASP CA C 13 53.40 0.05 . 1 . . . . 38 ASP CA . 16503 1 223 . 1 1 38 38 ASP CB C 13 38.51 0.05 . 1 . . . . 38 ASP CB . 16503 1 224 . 1 1 38 38 ASP N N 15 118.4 0.08 . 1 . . . . 38 ASP N . 16503 1 225 . 1 1 39 39 ARG H H 1 8.077 0.005 . 1 . . . . 39 ARG H . 16503 1 226 . 1 1 39 39 ARG C C 13 175.8 0.1 . 1 . . . . 39 ARG C . 16503 1 227 . 1 1 39 39 ARG CA C 13 56.22 0.05 . 1 . . . . 39 ARG CA . 16503 1 228 . 1 1 39 39 ARG CB C 13 30.78 0.05 . 1 . . . . 39 ARG CB . 16503 1 229 . 1 1 39 39 ARG N N 15 120.1 0.08 . 1 . . . . 39 ARG N . 16503 1 230 . 1 1 40 40 CYS H H 1 8.206 0.005 . 1 . . . . 40 CYS H . 16503 1 231 . 1 1 40 40 CYS C C 13 173.8 0.1 . 1 . . . . 40 CYS C . 16503 1 232 . 1 1 40 40 CYS CA C 13 54.91 0.05 . 1 . . . . 40 CYS CA . 16503 1 233 . 1 1 40 40 CYS CB C 13 40.60 0.05 . 1 . . . . 40 CYS CB . 16503 1 234 . 1 1 40 40 CYS N N 15 117.8 0.08 . 1 . . . . 40 CYS N . 16503 1 235 . 1 1 41 41 LYS H H 1 8.326 0.005 . 1 . . . . 41 LYS H . 16503 1 236 . 1 1 41 41 LYS HA H 1 4.680 0.005 . 1 . . . . 41 LYS HA . 16503 1 237 . 1 1 41 41 LYS CA C 13 54.32 0.05 . 1 . . . . 41 LYS CA . 16503 1 238 . 1 1 41 41 LYS CB C 13 32.91 0.05 . 1 . . . . 41 LYS CB . 16503 1 239 . 1 1 41 41 LYS N N 15 123.4 0.08 . 1 . . . . 41 LYS N . 16503 1 240 . 1 1 42 42 PRO HA H 1 4.507 0.005 . 1 . . . . 42 PRO HA . 16503 1 241 . 1 1 42 42 PRO C C 13 176.6 0.1 . 1 . . . . 42 PRO C . 16503 1 242 . 1 1 42 42 PRO CA C 13 63.3 0.05 . 1 . . . . 42 PRO CA . 16503 1 243 . 1 1 42 42 PRO CB C 13 31.96 0.05 . 1 . . . . 42 PRO CB . 16503 1 244 . 1 1 43 43 VAL H H 1 8.079 0.005 . 1 . . . . 43 VAL H . 16503 1 245 . 1 1 43 43 VAL HA H 1 4.161 0.005 . 1 . . . . 43 VAL HA . 16503 1 246 . 1 1 43 43 VAL C C 13 175.7 0.1 . 1 . . . . 43 VAL C . 16503 1 247 . 1 1 43 43 VAL CA C 13 62.2 0.05 . 1 . . . . 43 VAL CA . 16503 1 248 . 1 1 43 43 VAL CB C 13 33.15 0.05 . 1 . . . . 43 VAL CB . 16503 1 249 . 1 1 43 43 VAL N N 15 119.1 0.08 . 1 . . . . 43 VAL N . 16503 1 250 . 1 1 44 44 ASN H H 1 8.339 0.005 . 1 . . . . 44 ASN H . 16503 1 251 . 1 1 44 44 ASN HA H 1 4.811 0.005 . 1 . . . . 44 ASN HA . 16503 1 252 . 1 1 44 44 ASN C C 13 175.3 0.1 . 1 . . . . 44 ASN C . 16503 1 253 . 1 1 44 44 ASN CA C 13 53.34 0.05 . 1 . . . . 44 ASN CA . 16503 1 254 . 1 1 44 44 ASN CB C 13 38.83 0.05 . 1 . . . . 44 ASN CB . 16503 1 255 . 1 1 44 44 ASN N N 15 121.2 0.08 . 1 . . . . 44 ASN N . 16503 1 256 . 1 1 45 45 THR H H 1 7.964 0.005 . 1 . . . . 45 THR H . 16503 1 257 . 1 1 45 45 THR HA H 1 4.315 0.005 . 1 . . . . 45 THR HA . 16503 1 258 . 1 1 45 45 THR C C 13 174.3 0.1 . 1 . . . . 45 THR C . 16503 1 259 . 1 1 45 45 THR CA C 13 62.26 0.05 . 1 . . . . 45 THR CA . 16503 1 260 . 1 1 45 45 THR CB C 13 69.59 0.05 . 1 . . . . 45 THR CB . 16503 1 261 . 1 1 45 45 THR N N 15 113.8 0.08 . 1 . . . . 45 THR N . 16503 1 262 . 1 1 46 46 PHE H H 1 8.097 0.005 . 1 . . . . 46 PHE H . 16503 1 263 . 1 1 46 46 PHE HA H 1 4.663 0.005 . 1 . . . . 46 PHE HA . 16503 1 264 . 1 1 46 46 PHE C C 13 175.9 0.1 . 1 . . . . 46 PHE C . 16503 1 265 . 1 1 46 46 PHE CA C 13 58.18 0.05 . 1 . . . . 46 PHE CA . 16503 1 266 . 1 1 46 46 PHE CB C 13 39.20 0.05 . 1 . . . . 46 PHE CB . 16503 1 267 . 1 1 46 46 PHE N N 15 121.3 0.08 . 1 . . . . 46 PHE N . 16503 1 268 . 1 1 47 47 VAL H H 1 7.879 0.005 . 1 . . . . 47 VAL H . 16503 1 269 . 1 1 47 47 VAL HA H 1 4.050 0.005 . 1 . . . . 47 VAL HA . 16503 1 270 . 1 1 47 47 VAL C C 13 175.8 0.1 . 1 . . . . 47 VAL C . 16503 1 271 . 1 1 47 47 VAL CA C 13 62.74 0.05 . 1 . . . . 47 VAL CA . 16503 1 272 . 1 1 47 47 VAL CB C 13 32.72 0.05 . 1 . . . . 47 VAL CB . 16503 1 273 . 1 1 47 47 VAL N N 15 119.9 0.08 . 1 . . . . 47 VAL N . 16503 1 274 . 1 1 48 48 HIS H H 1 8.373 0.005 . 1 . . . . 48 HIS H . 16503 1 275 . 1 1 48 48 HIS HA H 1 4.719 0.005 . 1 . . . . 48 HIS HA . 16503 1 276 . 1 1 48 48 HIS C C 13 174.3 0.1 . 1 . . . . 48 HIS C . 16503 1 277 . 1 1 48 48 HIS CA C 13 55.66 0.05 . 1 . . . . 48 HIS CA . 16503 1 278 . 1 1 48 48 HIS CB C 13 28.72 0.05 . 1 . . . . 48 HIS CB . 16503 1 279 . 1 1 48 48 HIS N N 15 120.7 0.08 . 1 . . . . 48 HIS N . 16503 1 280 . 1 1 49 49 GLU H H 1 8.273 0.005 . 1 . . . . 49 GLU H . 16503 1 281 . 1 1 49 49 GLU HA H 1 4.465 0.005 . 1 . . . . 49 GLU HA . 16503 1 282 . 1 1 49 49 GLU C C 13 175.7 0.1 . 1 . . . . 49 GLU C . 16503 1 283 . 1 1 49 49 GLU CA C 13 56.03 0.05 . 1 . . . . 49 GLU CA . 16503 1 284 . 1 1 49 49 GLU CB C 13 29.32 0.05 . 1 . . . . 49 GLU CB . 16503 1 285 . 1 1 49 49 GLU N N 15 120.9 0.08 . 1 . . . . 49 GLU N . 16503 1 286 . 1 1 50 50 SER H H 1 8.305 0.005 . 1 . . . . 50 SER H . 16503 1 287 . 1 1 50 50 SER HA H 1 4.556 0.005 . 1 . . . . 50 SER HA . 16503 1 288 . 1 1 50 50 SER C C 13 175.0 0.1 . 1 . . . . 50 SER C . 16503 1 289 . 1 1 50 50 SER CA C 13 58.17 0.05 . 1 . . . . 50 SER CA . 16503 1 290 . 1 1 50 50 SER CB C 13 64.35 0.05 . 1 . . . . 50 SER CB . 16503 1 291 . 1 1 50 50 SER N N 15 117.0 0.08 . 1 . . . . 50 SER N . 16503 1 292 . 1 1 51 51 LEU H H 1 8.350 0.005 . 1 . . . . 51 LEU H . 16503 1 293 . 1 1 51 51 LEU HA H 1 4.269 0.005 . 1 . . . . 51 LEU HA . 16503 1 294 . 1 1 51 51 LEU C C 13 177.9 0.1 . 1 . . . . 51 LEU C . 16503 1 295 . 1 1 51 51 LEU CA C 13 56.70 0.05 . 1 . . . . 51 LEU CA . 16503 1 296 . 1 1 51 51 LEU CB C 13 41.85 0.05 . 1 . . . . 51 LEU CB . 16503 1 297 . 1 1 51 51 LEU N N 15 123.2 0.08 . 1 . . . . 51 LEU N . 16503 1 298 . 1 1 52 52 ALA H H 1 8.100 0.005 . 1 . . . . 52 ALA H . 16503 1 299 . 1 1 52 52 ALA HA H 1 4.258 0.005 . 1 . . . . 52 ALA HA . 16503 1 300 . 1 1 52 52 ALA C C 13 178.7 0.1 . 1 . . . . 52 ALA C . 16503 1 301 . 1 1 52 52 ALA CA C 13 53.86 0.05 . 1 . . . . 52 ALA CA . 16503 1 302 . 1 1 52 52 ALA CB C 13 18.57 0.05 . 1 . . . . 52 ALA CB . 16503 1 303 . 1 1 52 52 ALA N N 15 121.3 0.08 . 1 . . . . 52 ALA N . 16503 1 304 . 1 1 53 53 ASP H H 1 8.003 0.005 . 1 . . . . 53 ASP H . 16503 1 305 . 1 1 53 53 ASP HA H 1 4.653 0.005 . 1 . . . . 53 ASP HA . 16503 1 306 . 1 1 53 53 ASP C C 13 176.1 0.1 . 1 . . . . 53 ASP C . 16503 1 307 . 1 1 53 53 ASP CA C 13 54.46 0.05 . 1 . . . . 53 ASP CA . 16503 1 308 . 1 1 53 53 ASP CB C 13 38.15 0.05 . 1 . . . . 53 ASP CB . 16503 1 309 . 1 1 53 53 ASP N N 15 117.0 0.08 . 1 . . . . 53 ASP N . 16503 1 310 . 1 1 54 54 VAL H H 1 7.868 0.005 . 1 . . . . 54 VAL H . 16503 1 311 . 1 1 54 54 VAL HA H 1 3.874 0.005 . 1 . . . . 54 VAL HA . 16503 1 312 . 1 1 54 54 VAL C C 13 176.9 0.1 . 1 . . . . 54 VAL C . 16503 1 313 . 1 1 54 54 VAL CA C 13 64.88 0.05 . 1 . . . . 54 VAL CA . 16503 1 314 . 1 1 54 54 VAL CB C 13 32.14 0.05 . 1 . . . . 54 VAL CB . 16503 1 315 . 1 1 54 54 VAL N N 15 119.7 0.08 . 1 . . . . 54 VAL N . 16503 1 316 . 1 1 55 55 GLN H H 1 8.287 0.005 . 1 . . . . 55 GLN H . 16503 1 317 . 1 1 55 55 GLN HA H 1 4.369 0.005 . 1 . . . . 55 GLN HA . 16503 1 318 . 1 1 55 55 GLN C C 13 177.2 0.1 . 1 . . . . 55 GLN C . 16503 1 319 . 1 1 55 55 GLN CA C 13 57.79 0.05 . 1 . . . . 55 GLN CA . 16503 1 320 . 1 1 55 55 GLN CB C 13 28.72 0.05 . 1 . . . . 55 GLN CB . 16503 1 321 . 1 1 55 55 GLN N N 15 119.7 0.08 . 1 . . . . 55 GLN N . 16503 1 322 . 1 1 56 56 ALA H H 1 7.965 0.005 . 1 . . . . 56 ALA H . 16503 1 323 . 1 1 56 56 ALA HA H 1 4.322 0.005 . 1 . . . . 56 ALA HA . 16503 1 324 . 1 1 56 56 ALA C C 13 179.0 0.1 . 1 . . . . 56 ALA C . 16503 1 325 . 1 1 56 56 ALA CA C 13 54.05 0.05 . 1 . . . . 56 ALA CA . 16503 1 326 . 1 1 56 56 ALA CB C 13 18.85 0.05 . 1 . . . . 56 ALA CB . 16503 1 327 . 1 1 56 56 ALA N N 15 122.6 0.08 . 1 . . . . 56 ALA N . 16503 1 328 . 1 1 57 57 VAL H H 1 7.999 0.005 . 1 . . . . 57 VAL H . 16503 1 329 . 1 1 57 57 VAL HA H 1 3.988 0.005 . 1 . . . . 57 VAL HA . 16503 1 330 . 1 1 57 57 VAL C C 13 177.5 0.1 . 1 . . . . 57 VAL C . 16503 1 331 . 1 1 57 57 VAL CA C 13 64.34 0.05 . 1 . . . . 57 VAL CA . 16503 1 332 . 1 1 57 57 VAL CB C 13 32.06 0.05 . 1 . . . . 57 VAL CB . 16503 1 333 . 1 1 57 57 VAL N N 15 117.4 0.08 . 1 . . . . 57 VAL N . 16503 1 334 . 1 1 58 58 CYS H H 1 8.368 0.005 . 1 . . . . 58 CYS H . 16503 1 335 . 1 1 58 58 CYS C C 13 175.5 0.1 . 1 . . . . 58 CYS C . 16503 1 336 . 1 1 58 58 CYS CA C 13 56.08 0.005 . 1 . . . . 58 CYS CA . 16503 1 337 . 1 1 58 58 CYS N N 15 118.1 0.08 . 1 . . . . 58 CYS N . 16503 1 338 . 1 1 59 59 SER H H 1 8.125 0.005 . 1 . . . . 59 SER H . 16503 1 339 . 1 1 59 59 SER HA H 1 4.525 0.005 . 1 . . . . 59 SER HA . 16503 1 340 . 1 1 59 59 SER CA C 13 59.39 0.05 . 1 . . . . 59 SER CA . 16503 1 341 . 1 1 59 59 SER CB C 13 64.03 0.05 . 1 . . . . 59 SER CB . 16503 1 342 . 1 1 59 59 SER N N 15 115.5 0.08 . 1 . . . . 59 SER N . 16503 1 343 . 1 1 60 60 GLN H H 1 8.06 0.005 . 1 . . . . 60 GLN H . 16503 1 344 . 1 1 60 60 GLN HA H 1 4.718 0.005 . 1 . . . . 60 GLN HA . 16503 1 345 . 1 1 60 60 GLN C C 13 176.2 0.1 . 1 . . . . 60 GLN C . 16503 1 346 . 1 1 60 60 GLN CA C 13 56.60 0.05 . 1 . . . . 60 GLN CA . 16503 1 347 . 1 1 60 60 GLN CB C 13 29.22 0.05 . 1 . . . . 60 GLN CB . 16503 1 348 . 1 1 60 60 GLN N N 15 121.2 0.08 . 1 . . . . 60 GLN N . 16503 1 349 . 1 1 61 61 LYS H H 1 8.157 0.005 . 1 . . . . 61 LYS H . 16503 1 350 . 1 1 61 61 LYS HA H 1 4.338 0.005 . 1 . . . . 61 LYS HA . 16503 1 351 . 1 1 61 61 LYS C C 13 176.3 0.1 . 1 . . . . 61 LYS C . 16503 1 352 . 1 1 61 61 LYS CA C 13 56.74 0.05 . 1 . . . . 61 LYS CA . 16503 1 353 . 1 1 61 61 LYS CB C 13 33.02 0.05 . 1 . . . . 61 LYS CB . 16503 1 354 . 1 1 61 61 LYS N N 15 120.5 0.08 . 1 . . . . 61 LYS N . 16503 1 355 . 1 1 62 62 ASN H H 1 8.243 0.005 . 1 . . . . 62 ASN H . 16503 1 356 . 1 1 62 62 ASN HA H 1 4.785 0.005 . 1 . . . . 62 ASN HA . 16503 1 357 . 1 1 62 62 ASN C C 13 175.3 0.1 . 1 . . . . 62 ASN C . 16503 1 358 . 1 1 62 62 ASN CA C 13 53.61 0.05 . 1 . . . . 62 ASN CA . 16503 1 359 . 1 1 62 62 ASN CB C 13 38.95 0.05 . 1 . . . . 62 ASN CB . 16503 1 360 . 1 1 62 62 ASN N N 15 118.7 0.08 . 1 . . . . 62 ASN N . 16503 1 361 . 1 1 63 63 VAL H H 1 7.938 0.005 . 1 . . . . 63 VAL H . 16503 1 362 . 1 1 63 63 VAL HA H 1 4.133 0.005 . 1 . . . . 63 VAL HA . 16503 1 363 . 1 1 63 63 VAL C C 13 175.7 0.1 . 1 . . . . 63 VAL C . 16503 1 364 . 1 1 63 63 VAL CA C 13 62.68 0.05 . 1 . . . . 63 VAL CA . 16503 1 365 . 1 1 63 63 VAL CB C 13 32.70 0.05 . 1 . . . . 63 VAL CB . 16503 1 366 . 1 1 63 63 VAL N N 15 119.2 0.08 . 1 . . . . 63 VAL N . 16503 1 367 . 1 1 64 64 ALA H H 1 8.138 0.005 . 1 . . . . 64 ALA H . 16503 1 368 . 1 1 64 64 ALA HA H 1 4.398 0.005 . 1 . . . . 64 ALA HA . 16503 1 369 . 1 1 64 64 ALA C C 13 177.6 0.1 . 1 . . . . 64 ALA C . 16503 1 370 . 1 1 64 64 ALA CA C 13 52.75 0.05 . 1 . . . . 64 ALA CA . 16503 1 371 . 1 1 64 64 ALA CB C 13 19.33 0.05 . 1 . . . . 64 ALA CB . 16503 1 372 . 1 1 64 64 ALA N N 15 125.3 0.08 . 1 . . . . 64 ALA N . 16503 1 373 . 1 1 65 65 CYS H H 1 8.140 0.005 . 1 . . . . 65 CYS H . 16503 1 374 . 1 1 65 65 CYS HA H 1 4.720 0.005 . 1 . . . . 65 CYS HA . 16503 1 375 . 1 1 65 65 CYS C C 13 175.1 0.1 . 1 . . . . 65 CYS C . 16503 1 376 . 1 1 65 65 CYS CA C 13 55.31 0.05 . 1 . . . . 65 CYS CA . 16503 1 377 . 1 1 65 65 CYS CB C 13 41.01 0.05 . 1 . . . . 65 CYS CB . 16503 1 378 . 1 1 66 66 LYS H H 1 8.359 0.005 . 1 . . . . 66 LYS H . 16503 1 379 . 1 1 66 66 LYS HA H 1 4.375 0.005 . 1 . . . . 66 LYS HA . 16503 1 380 . 1 1 66 66 LYS C C 13 176.3 0.1 . 1 . . . . 66 LYS C . 16503 1 381 . 1 1 66 66 LYS CA C 13 56.72 0.05 . 1 . . . . 66 LYS CA . 16503 1 382 . 1 1 66 66 LYS CB C 13 33.12 0.05 . 1 . . . . 66 LYS CB . 16503 1 383 . 1 1 66 66 LYS N N 15 122.8 0.08 . 1 . . . . 66 LYS N . 16503 1 384 . 1 1 67 67 ASN H H 1 8.295 0.005 . 1 . . . . 67 ASN H . 16503 1 385 . 1 1 67 67 ASN HA H 1 4.669 0.005 . 1 . . . . 67 ASN HA . 16503 1 386 . 1 1 67 67 ASN C C 13 175.8 0.1 . 1 . . . . 67 ASN C . 16503 1 387 . 1 1 67 67 ASN CA C 13 53.87 0.05 . 1 . . . . 67 ASN CA . 16503 1 388 . 1 1 67 67 ASN CB C 13 38.35 0.05 . 1 . . . . 67 ASN CB . 16503 1 389 . 1 1 67 67 ASN N N 15 117.5 0.08 . 1 . . . . 67 ASN N . 16503 1 390 . 1 1 68 68 GLY H H 1 8.345 0.005 . 1 . . . . 68 GLY H . 16503 1 391 . 1 1 68 68 GLY HA2 H 1 4.018 0.005 . 1 . . . . 68 GLY HA2 . 16503 1 392 . 1 1 68 68 GLY HA3 H 1 4.018 0.005 . 1 . . . . 68 GLY HA3 . 16503 1 393 . 1 1 68 68 GLY C C 13 174.4 0.1 . 1 . . . . 68 GLY C . 16503 1 394 . 1 1 68 68 GLY CA C 13 45.69 0.05 . 1 . . . . 68 GLY CA . 16503 1 395 . 1 1 68 68 GLY N N 15 109.4 0.08 . 1 . . . . 68 GLY N . 16503 1 396 . 1 1 69 69 GLN H H 1 8.069 0.005 . 1 . . . . 69 GLN H . 16503 1 397 . 1 1 69 69 GLN HA H 1 4.470 0.005 . 1 . . . . 69 GLN HA . 16503 1 398 . 1 1 69 69 GLN C C 13 176.5 0.1 . 1 . . . . 69 GLN C . 16503 1 399 . 1 1 69 69 GLN CA C 13 56.16 0.05 . 1 . . . . 69 GLN CA . 16503 1 400 . 1 1 69 69 GLN CB C 13 29.38 0.05 . 1 . . . . 69 GLN CB . 16503 1 401 . 1 1 69 69 GLN N N 15 119.4 0.08 . 1 . . . . 69 GLN N . 16503 1 402 . 1 1 70 70 THR H H 1 8.182 0.005 . 1 . . . . 70 THR H . 16503 1 403 . 1 1 70 70 THR HA H 1 4.328 0.005 . 1 . . . . 70 THR HA . 16503 1 404 . 1 1 70 70 THR C C 13 174.6 0.1 . 1 . . . . 70 THR C . 16503 1 405 . 1 1 70 70 THR CA C 13 62.74 0.05 . 1 . . . . 70 THR CA . 16503 1 406 . 1 1 70 70 THR CB C 13 69.59 0.05 . 1 . . . . 70 THR CB . 16503 1 407 . 1 1 70 70 THR N N 15 113.3 0.08 . 1 . . . . 70 THR N . 16503 1 408 . 1 1 71 71 ASN H H 1 8.336 0.005 . 1 . . . . 71 ASN H . 16503 1 409 . 1 1 71 71 ASN HA H 1 4.758 0.005 . 1 . . . . 71 ASN HA . 16503 1 410 . 1 1 71 71 ASN C C 13 175.0 0.1 . 1 . . . . 71 ASN C . 16503 1 411 . 1 1 71 71 ASN CA C 13 53.49 0.05 . 1 . . . . 71 ASN CA . 16503 1 412 . 1 1 71 71 ASN CB C 13 37.99 0.05 . 1 . . . . 71 ASN CB . 16503 1 413 . 1 1 71 71 ASN N N 15 118.5 0.08 . 1 . . . . 71 ASN N . 16503 1 414 . 1 1 72 72 CYS H H 1 8.080 0.005 . 1 . . . . 72 CYS H . 16503 1 415 . 1 1 72 72 CYS HA H 1 4.613 0.005 . 1 . . . . 72 CYS HA . 16503 1 416 . 1 1 72 72 CYS C C 13 174.1 0.1 . 1 . . . . 72 CYS C . 16503 1 417 . 1 1 72 72 CYS CA C 13 56.98 0.05 . 1 . . . . 72 CYS CA . 16503 1 418 . 1 1 72 72 CYS CB C 13 41.40 0.05 . 1 . . . . 72 CYS CB . 16503 1 419 . 1 1 72 72 CYS N N 15 117.8 0.08 . 1 . . . . 72 CYS N . 16503 1 420 . 1 1 73 73 TYR H H 1 8.112 0.005 . 1 . . . . 73 TYR H . 16503 1 421 . 1 1 73 73 TYR HA H 1 4.555 0.005 . 1 . . . . 73 TYR HA . 16503 1 422 . 1 1 73 73 TYR C C 13 175.7 0.1 . 1 . . . . 73 TYR C . 16503 1 423 . 1 1 73 73 TYR CA C 13 58.42 0.05 . 1 . . . . 73 TYR CA . 16503 1 424 . 1 1 73 73 TYR CB C 13 38.65 0.05 . 1 . . . . 73 TYR CB . 16503 1 425 . 1 1 73 73 TYR N N 15 120.5 0.08 . 1 . . . . 73 TYR N . 16503 1 426 . 1 1 74 74 GLN H H 1 8.122 0.005 . 1 . . . . 74 GLN H . 16503 1 427 . 1 1 74 74 GLN HA H 1 4.370 0.005 . 1 . . . . 74 GLN HA . 16503 1 428 . 1 1 74 74 GLN C C 13 175.7 0.1 . 1 . . . . 74 GLN C . 16503 1 429 . 1 1 74 74 GLN CA C 13 56.09 0.05 . 1 . . . . 74 GLN CA . 16503 1 430 . 1 1 74 74 GLN CB C 13 29.71 0.05 . 1 . . . . 74 GLN CB . 16503 1 431 . 1 1 74 74 GLN N N 15 120.7 0.08 . 1 . . . . 74 GLN N . 16503 1 432 . 1 1 75 75 SER H H 1 8.153 0.005 . 1 . . . . 75 SER H . 16503 1 433 . 1 1 75 75 SER HA H 1 4.49 0.005 . 1 . . . . 75 SER HA . 16503 1 434 . 1 1 75 75 SER C C 13 174.2 0.1 . 1 . . . . 75 SER C . 16503 1 435 . 1 1 75 75 SER CA C 13 58.51 0.05 . 1 . . . . 75 SER CA . 16503 1 436 . 1 1 75 75 SER CB C 13 63.89 0.05 . 1 . . . . 75 SER CB . 16503 1 437 . 1 1 75 75 SER N N 15 116.3 0.08 . 1 . . . . 75 SER N . 16503 1 438 . 1 1 76 76 TYR H H 1 8.108 0.005 . 1 . . . . 76 TYR H . 16503 1 439 . 1 1 76 76 TYR HA H 1 4.638 0.005 . 1 . . . . 76 TYR HA . 16503 1 440 . 1 1 76 76 TYR C C 13 176.1 0.1 . 1 . . . . 76 TYR C . 16503 1 441 . 1 1 76 76 TYR CA C 13 58.45 0.05 . 1 . . . . 76 TYR CA . 16503 1 442 . 1 1 76 76 TYR CB C 13 38.79 0.05 . 1 . . . . 76 TYR CB . 16503 1 443 . 1 1 76 76 TYR N N 15 120.9 0.08 . 1 . . . . 76 TYR N . 16503 1 444 . 1 1 77 77 SER H H 1 8.178 0.005 . 1 . . . . 77 SER H . 16503 1 445 . 1 1 77 77 SER HA H 1 4.542 0.005 . 1 . . . . 77 SER HA . 16503 1 446 . 1 1 77 77 SER C C 13 174.9 0.1 . 1 . . . . 77 SER C . 16503 1 447 . 1 1 77 77 SER CA C 13 58.70 0.05 . 1 . . . . 77 SER CA . 16503 1 448 . 1 1 77 77 SER CB C 13 63.95 0.05 . 1 . . . . 77 SER CB . 16503 1 449 . 1 1 77 77 SER N N 15 115.8 0.08 . 1 . . . . 77 SER N . 16503 1 450 . 1 1 78 78 THR H H 1 8.073 0.005 . 1 . . . . 78 THR H . 16503 1 451 . 1 1 78 78 THR HA H 1 4.400 0.005 . 1 . . . . 78 THR HA . 16503 1 452 . 1 1 78 78 THR C C 13 174.9 0.1 . 1 . . . . 78 THR C . 16503 1 453 . 1 1 78 78 THR CA C 13 62.51 0.05 . 1 . . . . 78 THR CA . 16503 1 454 . 1 1 78 78 THR CB C 13 69.51 0.05 . 1 . . . . 78 THR CB . 16503 1 455 . 1 1 78 78 THR N N 15 115.1 0.08 . 1 . . . . 78 THR N . 16503 1 456 . 1 1 79 79 MET H H 1 8.137 0.005 . 1 . . . . 79 MET H . 16503 1 457 . 1 1 79 79 MET HA H 1 4.473 0.005 . 1 . . . . 79 MET HA . 16503 1 458 . 1 1 79 79 MET C C 13 176.1 0.1 . 1 . . . . 79 MET C . 16503 1 459 . 1 1 79 79 MET CA C 13 56.25 0.05 . 1 . . . . 79 MET CA . 16503 1 460 . 1 1 79 79 MET CB C 13 33.15 0.05 . 1 . . . . 79 MET CB . 16503 1 461 . 1 1 79 79 MET N N 15 121.5 0.08 . 1 . . . . 79 MET N . 16503 1 462 . 1 1 80 80 SER H H 1 8.135 0.005 . 1 . . . . 80 SER H . 16503 1 463 . 1 1 80 80 SER HA H 1 4.528 0.005 . 1 . . . . 80 SER HA . 16503 1 464 . 1 1 80 80 SER C C 13 174.8 0.1 . 1 . . . . 80 SER C . 16503 1 465 . 1 1 80 80 SER CA C 13 58.60 0.05 . 1 . . . . 80 SER CA . 16503 1 466 . 1 1 80 80 SER CB C 13 63.87 0.05 . 1 . . . . 80 SER CB . 16503 1 467 . 1 1 80 80 SER N N 15 115.9 0.08 . 1 . . . . 80 SER N . 16503 1 468 . 1 1 81 81 ILE H H 1 8.032 0.005 . 1 . . . . 81 ILE H . 16503 1 469 . 1 1 81 81 ILE HA H 1 4.274 0.005 . 1 . . . . 81 ILE HA . 16503 1 470 . 1 1 81 81 ILE C C 13 176.5 0.1 . 1 . . . . 81 ILE C . 16503 1 471 . 1 1 81 81 ILE CA C 13 62.07 0.05 . 1 . . . . 81 ILE CA . 16503 1 472 . 1 1 81 81 ILE CB C 13 38.69 0.05 . 1 . . . . 81 ILE CB . 16503 1 473 . 1 1 81 81 ILE N N 15 121.4 0.08 . 1 . . . . 81 ILE N . 16503 1 474 . 1 1 82 82 THR H H 1 7.985 0.005 . 1 . . . . 82 THR H . 16503 1 475 . 1 1 82 82 THR HA H 1 4.367 0.005 . 1 . . . . 82 THR HA . 16503 1 476 . 1 1 82 82 THR C C 13 174.7 0.1 . 1 . . . . 82 THR C . 16503 1 477 . 1 1 82 82 THR CA C 13 62.54 0.05 . 1 . . . . 82 THR CA . 16503 1 478 . 1 1 82 82 THR CB C 13 69.58 0.05 . 1 . . . . 82 THR CB . 16503 1 479 . 1 1 82 82 THR N N 15 115.4 0.08 . 1 . . . . 82 THR N . 16503 1 480 . 1 1 83 83 ASP H H 1 8.230 0.005 . 1 . . . . 83 ASP H . 16503 1 481 . 1 1 83 83 ASP HA H 1 4.802 0.005 . 1 . . . . 83 ASP HA . 16503 1 482 . 1 1 83 83 ASP C C 13 175.4 0.1 . 1 . . . . 83 ASP C . 16503 1 483 . 1 1 83 83 ASP CA C 13 53.50 0.05 . 1 . . . . 83 ASP CA . 16503 1 484 . 1 1 83 83 ASP CB C 13 38.68 0.05 . 1 . . . . 83 ASP CB . 16503 1 485 . 1 1 83 83 ASP N N 15 120.3 0.08 . 1 . . . . 83 ASP N . 16503 1 486 . 1 1 84 84 CYS H H 1 8.282 0.005 . 1 . . . . 84 CYS H . 16503 1 487 . 1 1 84 84 CYS HA H 1 4.597 0.005 . 1 . . . . 84 CYS HA . 16503 1 488 . 1 1 84 84 CYS C C 13 175.0 0.1 . 1 . . . . 84 CYS C . 16503 1 489 . 1 1 84 84 CYS CA C 13 54.85 0.05 . 1 . . . . 84 CYS CA . 16503 1 490 . 1 1 84 84 CYS CB C 13 39.94 0.05 . 1 . . . . 84 CYS CB . 16503 1 491 . 1 1 84 84 CYS N N 15 118.2 0.08 . 1 . . . . 84 CYS N . 16503 1 492 . 1 1 85 85 ARG H H 1 8.233 0.005 . 1 . . . . 85 ARG H . 16503 1 493 . 1 1 85 85 ARG HA H 1 4.277 0.005 . 1 . . . . 85 ARG HA . 16503 1 494 . 1 1 85 85 ARG C C 13 176.2 0.1 . 1 . . . . 85 ARG C . 16503 1 495 . 1 1 85 85 ARG CA C 13 54.94 0.05 . 1 . . . . 85 ARG CA . 16503 1 496 . 1 1 85 85 ARG CB C 13 29.34 0.05 . 1 . . . . 85 ARG CB . 16503 1 497 . 1 1 85 85 ARG N N 15 120.9 0.08 . 1 . . . . 85 ARG N . 16503 1 498 . 1 1 86 86 GLU H H 1 8.239 0.005 . 1 . . . . 86 GLU H . 16503 1 499 . 1 1 86 86 GLU C C 13 176.2 0.1 . 1 . . . . 86 GLU C . 16503 1 500 . 1 1 86 86 GLU CA C 13 56.00 0.05 . 1 . . . . 86 GLU CA . 16503 1 501 . 1 1 86 86 GLU CB C 13 29.00 0.05 . 1 . . . . 86 GLU CB . 16503 1 502 . 1 1 86 86 GLU N N 15 120.2 0.08 . 1 . . . . 86 GLU N . 16503 1 503 . 1 1 87 87 THR H H 1 8.107 0.005 . 1 . . . . 87 THR H . 16503 1 504 . 1 1 87 87 THR HA H 1 4.431 0.005 . 1 . . . . 87 THR HA . 16503 1 505 . 1 1 87 87 THR C C 13 175.1 0.1 . 1 . . . . 87 THR C . 16503 1 506 . 1 1 87 87 THR CA C 13 62.04 0.05 . 1 . . . . 87 THR CA . 16503 1 507 . 1 1 87 87 THR CB C 13 69.96 0.05 . 1 . . . . 87 THR CB . 16503 1 508 . 1 1 87 87 THR N N 15 113.7 0.08 . 1 . . . . 87 THR N . 16503 1 509 . 1 1 88 88 GLY H H 1 8.325 0.005 . 1 . . . . 88 GLY H . 16503 1 510 . 1 1 88 88 GLY HA2 H 1 4.069 0.005 . 1 . . . . 88 GLY HA2 . 16503 1 511 . 1 1 88 88 GLY HA3 H 1 4.069 0.005 . 1 . . . . 88 GLY HA3 . 16503 1 512 . 1 1 88 88 GLY C C 13 174.1 0.1 . 1 . . . . 88 GLY C . 16503 1 513 . 1 1 88 88 GLY CA C 13 45.57 0.05 . 1 . . . . 88 GLY CA . 16503 1 514 . 1 1 88 88 GLY N N 15 110.3 0.08 . 1 . . . . 88 GLY N . 16503 1 515 . 1 1 89 89 SER H H 1 8.121 0.005 . 1 . . . . 89 SER H . 16503 1 516 . 1 1 89 89 SER C C 13 174.7 0.1 . 1 . . . . 89 SER C . 16503 1 517 . 1 1 89 89 SER CA C 13 58.33 0.05 . 1 . . . . 89 SER CA . 16503 1 518 . 1 1 89 89 SER CB C 13 64.14 0.05 . 1 . . . . 89 SER CB . 16503 1 519 . 1 1 89 89 SER N N 15 114.7 0.08 . 1 . . . . 89 SER N . 16503 1 520 . 1 1 90 90 SER H H 1 8.208 0.005 . 1 . . . . 90 SER H . 16503 1 521 . 1 1 90 90 SER HA H 1 4.489 0.005 . 1 . . . . 90 SER HA . 16503 1 522 . 1 1 90 90 SER C C 13 174.3 0.1 . 1 . . . . 90 SER C . 16503 1 523 . 1 1 90 90 SER CA C 13 58.63 0.05 . 1 . . . . 90 SER CA . 16503 1 524 . 1 1 90 90 SER CB C 13 63.77 0.05 . 1 . . . . 90 SER CB . 16503 1 525 . 1 1 90 90 SER N N 15 117.2 0.08 . 1 . . . . 90 SER N . 16503 1 526 . 1 1 91 91 LYS H H 1 8.054 0.005 . 1 . . . . 91 LYS H . 16503 1 527 . 1 1 91 91 LYS HA H 1 4.300 0.005 . 1 . . . . 91 LYS HA . 16503 1 528 . 1 1 91 91 LYS C C 13 175.5 0.1 . 1 . . . . 91 LYS C . 16503 1 529 . 1 1 91 91 LYS CA C 13 56.41 0.05 . 1 . . . . 91 LYS CA . 16503 1 530 . 1 1 91 91 LYS CB C 13 33.10 0.05 . 1 . . . . 91 LYS CB . 16503 1 531 . 1 1 91 91 LYS N N 15 121.6 0.08 . 1 . . . . 91 LYS N . 16503 1 532 . 1 1 92 92 TYR H H 1 7.887 0.005 . 1 . . . . 92 TYR H . 16503 1 533 . 1 1 92 92 TYR HA H 1 4.888 0.005 . 1 . . . . 92 TYR HA . 16503 1 534 . 1 1 92 92 TYR CA C 13 55.41 0.1 . 1 . . . . 92 TYR CA . 16503 1 535 . 1 1 92 92 TYR CB C 13 38.49 0.05 . 1 . . . . 92 TYR CB . 16503 1 536 . 1 1 92 92 TYR N N 15 119.8 0.08 . 1 . . . . 92 TYR N . 16503 1 537 . 1 1 93 93 PRO HA H 1 4.503 0.005 . 1 . . . . 93 PRO HA . 16503 1 538 . 1 1 93 93 PRO C C 13 176.3 0.1 . 1 . . . . 93 PRO C . 16503 1 539 . 1 1 93 93 PRO CA C 13 63.25 0.05 . 1 . . . . 93 PRO CA . 16503 1 540 . 1 1 93 93 PRO CB C 13 31.99 0.05 . 1 . . . . 93 PRO CB . 16503 1 541 . 1 1 94 94 ASN H H 1 8.355 0.005 . 1 . . . . 94 ASN H . 16503 1 542 . 1 1 94 94 ASN HA H 1 4.816 0.005 . 1 . . . . 94 ASN HA . 16503 1 543 . 1 1 94 94 ASN C C 13 175.4 0.1 . 1 . . . . 94 ASN C . 16503 1 544 . 1 1 94 94 ASN CA C 13 53.32 0.05 . 1 . . . . 94 ASN CA . 16503 1 545 . 1 1 94 94 ASN CB C 13 38.85 0.05 . 1 . . . . 94 ASN CB . 16503 1 546 . 1 1 94 94 ASN N N 15 118.3 0.08 . 1 . . . . 94 ASN N . 16503 1 547 . 1 1 95 95 CYS H H 1 8.349 0.005 . 1 . . . . 95 CYS H . 16503 1 548 . 1 1 95 95 CYS HA H 1 4.749 0.005 . 1 . . . . 95 CYS HA . 16503 1 549 . 1 1 95 95 CYS C C 13 174.2 0.1 . 1 . . . . 95 CYS C . 16503 1 550 . 1 1 95 95 CYS CA C 13 55.40 0.05 . 1 . . . . 95 CYS CA . 16503 1 551 . 1 1 95 95 CYS CB C 13 40.81 0.05 . 1 . . . . 95 CYS CB . 16503 1 552 . 1 1 95 95 CYS N N 15 118.6 0.08 . 1 . . . . 95 CYS N . 16503 1 553 . 1 1 96 96 ALA H H 1 8.263 0.005 . 1 . . . . 96 ALA H . 16503 1 554 . 1 1 96 96 ALA HA H 1 4.393 0.005 . 1 . . . . 96 ALA HA . 16503 1 555 . 1 1 96 96 ALA C C 13 177.0 0.1 . 1 . . . . 96 ALA C . 16503 1 556 . 1 1 96 96 ALA CA C 13 52.72 0.05 . 1 . . . . 96 ALA CA . 16503 1 557 . 1 1 96 96 ALA CB C 13 19.17 0.05 . 1 . . . . 96 ALA CB . 16503 1 558 . 1 1 96 96 ALA N N 15 124.5 0.08 . 1 . . . . 96 ALA N . 16503 1 559 . 1 1 97 97 TYR H H 1 7.940 0.005 . 1 . . . . 97 TYR H . 16503 1 560 . 1 1 97 97 TYR HA H 1 4.622 0.005 . 1 . . . . 97 TYR HA . 16503 1 561 . 1 1 97 97 TYR C C 13 175.7 0.1 . 1 . . . . 97 TYR C . 16503 1 562 . 1 1 97 97 TYR CA C 13 58.06 0.05 . 1 . . . . 97 TYR CA . 16503 1 563 . 1 1 97 97 TYR CB C 13 38.58 0.05 . 1 . . . . 97 TYR CB . 16503 1 564 . 1 1 97 97 TYR N N 15 118.9 0.08 . 1 . . . . 97 TYR N . 16503 1 565 . 1 1 98 98 LYS H H 1 8.184 0.005 . 1 . . . . 98 LYS H . 16503 1 566 . 1 1 98 98 LYS C C 13 176.5 0.1 . 1 . . . . 98 LYS C . 16503 1 567 . 1 1 98 98 LYS CA C 13 56.47 0.05 . 1 . . . . 98 LYS CA . 16503 1 568 . 1 1 98 98 LYS N N 15 119.1 0.08 . 1 . . . . 98 LYS N . 16503 1 569 . 1 1 99 99 THR H H 1 8.103 0.005 . 1 . . . . 99 THR H . 16503 1 570 . 1 1 99 99 THR HA H 1 4.436 0.005 . 1 . . . . 99 THR HA . 16503 1 571 . 1 1 99 99 THR C C 13 174.8 0.1 . 1 . . . . 99 THR C . 16503 1 572 . 1 1 99 99 THR CA C 13 62.03 0.05 . 1 . . . . 99 THR CA . 16503 1 573 . 1 1 99 99 THR CB C 13 69.85 0.05 . 1 . . . . 99 THR CB . 16503 1 574 . 1 1 99 99 THR N N 15 114.5 0.08 . 1 . . . . 99 THR N . 16503 1 575 . 1 1 100 100 THR H H 1 8.120 0.005 . 1 . . . . 100 THR H . 16503 1 576 . 1 1 100 100 THR HA H 1 4.537 0.005 . 1 . . . . 100 THR HA . 16503 1 577 . 1 1 100 100 THR C C 13 174.8 0.1 . 1 . . . . 100 THR C . 16503 1 578 . 1 1 100 100 THR CA C 13 62.26 0.05 . 1 . . . . 100 THR CA . 16503 1 579 . 1 1 100 100 THR CB C 13 69.72 0.05 . 1 . . . . 100 THR CB . 16503 1 580 . 1 1 100 100 THR N N 15 115.1 0.08 . 1 . . . . 100 THR N . 16503 1 581 . 1 1 101 101 GLN H H 1 8.269 0.005 . 1 . . . . 101 GLN H . 16503 1 582 . 1 1 101 101 GLN HA H 1 4.347 0.005 . 1 . . . . 101 GLN HA . 16503 1 583 . 1 1 101 101 GLN C C 13 176.0 0.1 . 1 . . . . 101 GLN C . 16503 1 584 . 1 1 101 101 GLN CA C 13 56.43 0.05 . 1 . . . . 101 GLN CA . 16503 1 585 . 1 1 101 101 GLN CB C 13 29.33 0.05 . 1 . . . . 101 GLN CB . 16503 1 586 . 1 1 101 101 GLN N N 15 121.1 0.08 . 1 . . . . 101 GLN N . 16503 1 587 . 1 1 102 102 ALA H H 1 8.168 0.005 . 1 . . . . 102 ALA H . 16503 1 588 . 1 1 102 102 ALA HA H 1 4.305 0.005 . 1 . . . . 102 ALA HA . 16503 1 589 . 1 1 102 102 ALA C C 13 177.5 0.1 . 1 . . . . 102 ALA C . 16503 1 590 . 1 1 102 102 ALA CA C 13 53.16 0.05 . 1 . . . . 102 ALA CA . 16503 1 591 . 1 1 102 102 ALA CB C 13 19.02 0.05 . 1 . . . . 102 ALA CB . 16503 1 592 . 1 1 102 102 ALA N N 15 123.6 0.08 . 1 . . . . 102 ALA N . 16503 1 593 . 1 1 103 103 ASN H H 1 8.170 0.005 . 1 . . . . 103 ASN H . 16503 1 594 . 1 1 103 103 ASN HA H 1 4.683 0.005 . 1 . . . . 103 ASN HA . 16503 1 595 . 1 1 103 103 ASN C C 13 175.4 0.1 . 1 . . . . 103 ASN C . 16503 1 596 . 1 1 103 103 ASN CA C 13 53.52 0.05 . 1 . . . . 103 ASN CA . 16503 1 597 . 1 1 103 103 ASN CB C 13 38.67 0.05 . 1 . . . . 103 ASN CB . 16503 1 598 . 1 1 103 103 ASN N N 15 116.6 0.08 . 1 . . . . 103 ASN N . 16503 1 599 . 1 1 104 104 LYS H H 1 8.076 0.005 . 1 . . . . 104 LYS H . 16503 1 600 . 1 1 104 104 LYS HA H 1 4.285 0.005 . 1 . . . . 104 LYS HA . 16503 1 601 . 1 1 104 104 LYS C C 13 176.3 0.1 . 1 . . . . 104 LYS C . 16503 1 602 . 1 1 104 104 LYS CA C 13 56.84 0.05 . 1 . . . . 104 LYS CA . 16503 1 603 . 1 1 104 104 LYS CB C 13 32.87 0.05 . 1 . . . . 104 LYS CB . 16503 1 604 . 1 1 104 104 LYS N N 15 120.2 0.08 . 1 . . . . 104 LYS N . 16503 1 605 . 1 1 105 105 HIS H H 1 8.334 0.005 . 1 . . . . 105 HIS H . 16503 1 606 . 1 1 105 105 HIS HA H 1 4.757 0.005 . 1 . . . . 105 HIS HA . 16503 1 607 . 1 1 105 105 HIS C C 13 174.2 0.1 . 1 . . . . 105 HIS C . 16503 1 608 . 1 1 105 105 HIS CA C 13 55.62 0.05 . 1 . . . . 105 HIS CA . 16503 1 609 . 1 1 105 105 HIS CB C 13 28.93 0.05 . 1 . . . . 105 HIS CB . 16503 1 610 . 1 1 105 105 HIS N N 15 117.6 0.08 . 1 . . . . 105 HIS N . 16503 1 611 . 1 1 106 106 ILE H H 1 8.009 0.005 . 1 . . . . 106 ILE H . 16503 1 612 . 1 1 106 106 ILE HA H 1 4.207 0.005 . 1 . . . . 106 ILE HA . 16503 1 613 . 1 1 106 106 ILE C C 13 175.5 0.1 . 1 . . . . 106 ILE C . 16503 1 614 . 1 1 106 106 ILE CA C 13 61.44 0.05 . 1 . . . . 106 ILE CA . 16503 1 615 . 1 1 106 106 ILE CB C 13 38.38 0.05 . 1 . . . . 106 ILE CB . 16503 1 616 . 1 1 106 106 ILE N N 15 120.8 0.08 . 1 . . . . 106 ILE N . 16503 1 617 . 1 1 107 107 ILE H H 1 8.095 0.005 . 1 . . . . 107 ILE H . 16503 1 618 . 1 1 107 107 ILE HA H 1 4.220 0.005 . 1 . . . . 107 ILE HA . 16503 1 619 . 1 1 107 107 ILE C C 13 176.0 0.1 . 1 . . . . 107 ILE C . 16503 1 620 . 1 1 107 107 ILE CA C 13 61.37 0.05 . 1 . . . . 107 ILE CA . 16503 1 621 . 1 1 107 107 ILE CB C 13 38.55 0.05 . 1 . . . . 107 ILE CB . 16503 1 622 . 1 1 107 107 ILE N N 15 124.0 0.08 . 1 . . . . 107 ILE N . 16503 1 623 . 1 1 108 108 VAL H H 1 8.119 0.005 . 1 . . . . 108 VAL H . 16503 1 624 . 1 1 108 108 VAL HA H 1 4.454 0.005 . 1 . . . . 108 VAL HA . 16503 1 625 . 1 1 108 108 VAL C C 13 175.5 0.1 . 1 . . . . 108 VAL C . 16503 1 626 . 1 1 108 108 VAL CA C 13 62.30 0.05 . 1 . . . . 108 VAL CA . 16503 1 627 . 1 1 108 108 VAL CB C 13 32.81 0.05 . 1 . . . . 108 VAL CB . 16503 1 628 . 1 1 108 108 VAL N N 15 123.0 0.08 . 1 . . . . 108 VAL N . 16503 1 629 . 1 1 109 109 ALA H H 1 8.183 0.005 . 1 . . . . 109 ALA H . 16503 1 630 . 1 1 109 109 ALA HA H 1 4.498 0.005 . 1 . . . . 109 ALA HA . 16503 1 631 . 1 1 109 109 ALA C C 13 177.5 0.1 . 1 . . . . 109 ALA C . 16503 1 632 . 1 1 109 109 ALA CA C 13 52.44 0.05 . 1 . . . . 109 ALA CA . 16503 1 633 . 1 1 109 109 ALA CB C 13 19.46 0.05 . 1 . . . . 109 ALA CB . 16503 1 634 . 1 1 109 109 ALA N N 15 126.1 0.08 . 1 . . . . 109 ALA N . 16503 1 635 . 1 1 110 110 CYS H H 1 8.291 0.005 . 1 . . . . 110 CYS H . 16503 1 636 . 1 1 110 110 CYS HA H 1 4.745 0.005 . 1 . . . . 110 CYS HA . 16503 1 637 . 1 1 110 110 CYS C C 13 174.7 0.1 . 1 . . . . 110 CYS C . 16503 1 638 . 1 1 110 110 CYS CA C 13 53.92 0.05 . 1 . . . . 110 CYS CA . 16503 1 639 . 1 1 110 110 CYS CB C 13 38.63 0.05 . 1 . . . . 110 CYS CB . 16503 1 640 . 1 1 110 110 CYS N N 15 117.2 0.08 . 1 . . . . 110 CYS N . 16503 1 641 . 1 1 111 111 GLU H H 1 8.057 0.005 . 1 . . . . 111 GLU H . 16503 1 642 . 1 1 111 111 GLU HA H 1 4.462 0.005 . 1 . . . . 111 GLU HA . 16503 1 643 . 1 1 111 111 GLU C C 13 176.0 0.1 . 1 . . . . 111 GLU C . 16503 1 644 . 1 1 111 111 GLU CA C 13 55.95 0.05 . 1 . . . . 111 GLU CA . 16503 1 645 . 1 1 111 111 GLU CB C 13 29.14 0.05 . 1 . . . . 111 GLU CB . 16503 1 646 . 1 1 111 111 GLU N N 15 121.2 0.08 . 1 . . . . 111 GLU N . 16503 1 647 . 1 1 112 112 GLY H H 1 8.213 0.005 . 1 . . . . 112 GLY H . 16503 1 648 . 1 1 112 112 GLY HA2 H 1 3.982 0.005 . 1 . . . . 112 GLY HA2 . 16503 1 649 . 1 1 112 112 GLY HA3 H 1 3.982 0.005 . 1 . . . . 112 GLY HA3 . 16503 1 650 . 1 1 112 112 GLY C C 13 173.0 0.1 . 1 . . . . 112 GLY C . 16503 1 651 . 1 1 112 112 GLY CA C 13 45.08 0.05 . 1 . . . . 112 GLY CA . 16503 1 652 . 1 1 112 112 GLY N N 15 108.7 0.08 . 1 . . . . 112 GLY N . 16503 1 653 . 1 1 113 113 ASN H H 1 8.145 0.005 . 1 . . . . 113 ASN H . 16503 1 654 . 1 1 113 113 ASN HA H 1 5.031 0.005 . 1 . . . . 113 ASN HA . 16503 1 655 . 1 1 113 113 ASN CA C 13 51.03 0.05 . 1 . . . . 113 ASN CA . 16503 1 656 . 1 1 113 113 ASN CB C 13 39.26 0.05 . 1 . . . . 113 ASN CB . 16503 1 657 . 1 1 113 113 ASN N N 15 118.8 0.08 . 1 . . . . 113 ASN N . 16503 1 658 . 1 1 114 114 PRO HA H 1 4.468 0.005 . 1 . . . . 114 PRO HA . 16503 1 659 . 1 1 114 114 PRO C C 13 176.1 0.1 . 1 . . . . 114 PRO C . 16503 1 660 . 1 1 114 114 PRO CA C 13 63.40 0.05 . 1 . . . . 114 PRO CA . 16503 1 661 . 1 1 114 114 PRO CB C 13 31.97 0.05 . 1 . . . . 114 PRO CB . 16503 1 662 . 1 1 115 115 TYR H H 1 8.067 0.005 . 1 . . . . 115 TYR H . 16503 1 663 . 1 1 115 115 TYR HA H 1 4.583 0.005 . 1 . . . . 115 TYR HA . 16503 1 664 . 1 1 115 115 TYR C C 13 175.1 0.1 . 1 . . . . 115 TYR C . 16503 1 665 . 1 1 115 115 TYR CA C 13 57.94 0.05 . 1 . . . . 115 TYR CA . 16503 1 666 . 1 1 115 115 TYR CB C 13 38.52 0.05 . 1 . . . . 115 TYR CB . 16503 1 667 . 1 1 115 115 TYR N N 15 119.3 0.08 . 1 . . . . 115 TYR N . 16503 1 668 . 1 1 116 116 VAL H H 1 7.646 0.005 . 1 . . . . 116 VAL H . 16503 1 669 . 1 1 116 116 VAL HA H 1 4.407 0.005 . 1 . . . . 116 VAL HA . 16503 1 670 . 1 1 116 116 VAL CA C 13 59.36 0.05 . 1 . . . . 116 VAL CA . 16503 1 671 . 1 1 116 116 VAL CB C 13 33.15 0.05 . 1 . . . . 116 VAL CB . 16503 1 672 . 1 1 116 116 VAL N N 15 122.7 0.08 . 1 . . . . 116 VAL N . 16503 1 673 . 1 1 117 117 PRO HA H 1 4.445 0.005 . 1 . . . . 117 PRO HA . 16503 1 674 . 1 1 117 117 PRO C C 13 176.3 0.1 . 1 . . . . 117 PRO C . 16503 1 675 . 1 1 117 117 PRO CA C 13 63.03 0.05 . 1 . . . . 117 PRO CA . 16503 1 676 . 1 1 117 117 PRO CB C 13 31.91 0.05 . 1 . . . . 117 PRO CB . 16503 1 677 . 1 1 118 118 VAL H H 1 7.853 0.005 . 1 . . . . 118 VAL H . 16503 1 678 . 1 1 118 118 VAL HA H 1 4.103 0.005 . 1 . . . . 118 VAL HA . 16503 1 679 . 1 1 118 118 VAL C C 13 175.6 0.1 . 1 . . . . 118 VAL C . 16503 1 680 . 1 1 118 118 VAL CA C 13 62.05 0.05 . 1 . . . . 118 VAL CA . 16503 1 681 . 1 1 118 118 VAL CB C 13 33.02 0.05 . 1 . . . . 118 VAL CB . 16503 1 682 . 1 1 118 118 VAL N N 15 119.0 0.08 . 1 . . . . 118 VAL N . 16503 1 683 . 1 1 119 119 HIS H H 1 8.264 0.005 . 1 . . . . 119 HIS H . 16503 1 684 . 1 1 119 119 HIS HA H 1 4.793 0.005 . 1 . . . . 119 HIS HA . 16503 1 685 . 1 1 119 119 HIS C C 13 173.6 0.1 . 1 . . . . 119 HIS C . 16503 1 686 . 1 1 119 119 HIS CA C 13 54.80 0.05 . 1 . . . . 119 HIS CA . 16503 1 687 . 1 1 119 119 HIS CB C 13 29.33 0.05 . 1 . . . . 119 HIS CB . 16503 1 688 . 1 1 119 119 HIS N N 15 120.8 0.08 . 1 . . . . 119 HIS N . 16503 1 689 . 1 1 120 120 PHE H H 1 8.227 0.005 . 1 . . . . 120 PHE H . 16503 1 690 . 1 1 120 120 PHE HA H 1 4.648 0.005 . 1 . . . . 120 PHE HA . 16503 1 691 . 1 1 120 120 PHE C C 13 175.1 0.1 . 1 . . . . 120 PHE C . 16503 1 692 . 1 1 120 120 PHE CA C 13 57.75 0.05 . 1 . . . . 120 PHE CA . 16503 1 693 . 1 1 120 120 PHE CB C 13 39.89 0.05 . 1 . . . . 120 PHE CB . 16503 1 694 . 1 1 120 120 PHE N N 15 121.8 0.08 . 1 . . . . 120 PHE N . 16503 1 695 . 1 1 121 121 ASP H H 1 8.332 0.005 . 1 . . . . 121 ASP H . 16503 1 696 . 1 1 121 121 ASP HA H 1 4.725 0.005 . 1 . . . . 121 ASP HA . 16503 1 697 . 1 1 121 121 ASP C C 13 174.2 0.1 . 1 . . . . 121 ASP C . 16503 1 698 . 1 1 121 121 ASP CA C 13 52.74 0.05 . 1 . . . . 121 ASP CA . 16503 1 699 . 1 1 121 121 ASP CB C 13 38.31 0.05 . 1 . . . . 121 ASP CB . 16503 1 700 . 1 1 121 121 ASP N N 15 120.8 0.08 . 1 . . . . 121 ASP N . 16503 1 701 . 1 1 122 122 ALA H H 1 8.078 0.005 . 1 . . . . 122 ALA H . 16503 1 702 . 1 1 122 122 ALA HA H 1 4.391 0.005 . 1 . . . . 122 ALA HA . 16503 1 703 . 1 1 122 122 ALA CA C 13 52.51 0.05 . 1 . . . . 122 ALA CA . 16503 1 704 . 1 1 122 122 ALA CB C 13 19.44 0.05 . 1 . . . . 122 ALA CB . 16503 1 705 . 1 1 122 122 ALA N N 15 124.2 0.08 . 1 . . . . 122 ALA N . 16503 1 706 . 1 1 123 123 SER H H 1 8.102 0.005 . 1 . . . . 123 SER H . 16503 1 707 . 1 1 123 123 SER HA H 1 4.569 0.005 . 1 . . . . 123 SER HA . 16503 1 708 . 1 1 123 123 SER C C 13 174.0 0.1 . 1 . . . . 123 SER C . 16503 1 709 . 1 1 123 123 SER CA C 13 58.29 0.05 . 1 . . . . 123 SER CA . 16503 1 710 . 1 1 123 123 SER CB C 13 63.96 0.05 . 1 . . . . 123 SER CB . 16503 1 711 . 1 1 123 123 SER N N 15 114.4 0.08 . 1 . . . . 123 SER N . 16503 1 712 . 1 1 124 124 VAL H H 1 7.847 0.005 . 1 . . . . 124 VAL H . 16503 1 713 . 1 1 124 124 VAL HA H 1 4.351 0.005 . 1 . . . . 124 VAL HA . 16503 1 714 . 1 1 124 124 VAL CA C 13 61.07 0.05 . 1 . . . . 124 VAL CA . 16503 1 715 . 1 1 124 124 VAL CB C 13 32.91 0.05 . 1 . . . . 124 VAL CB . 16503 1 716 . 1 1 124 124 VAL N N 15 119.4 0.08 . 1 . . . . 124 VAL N . 16503 1 stop_ save_ ################################### # 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_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 16503 _Assigned_chem_shift_list.ID 2 _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 0.005 _Assigned_chem_shift_list.Chem_shift_13C_err 0.05 _Assigned_chem_shift_list.Chem_shift_15N_err 0.08 _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 'standard deviation of values assigned in multiple spectra.' _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' . . . 16503 2 2 '2D 1H-13C HSQC' . . . 16503 2 3 '2D 1H-1H TOCSY' . . . 16503 2 5 '3D CBCA(CO)NH' . . . 16503 2 7 '3D HNCA' . . . 16503 2 8 '3D HNCACB' . . . 16503 2 9 '3D HN(CO)CA' . . . 16503 2 10 '3D HN(COCA)CB' . . . 16503 2 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 $SPARKY . . 16503 2 2 $TOPSPIN . . 16503 2 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 CA C 13 55.83 0.05 . 1 . . . . 1 LYS CA . 16503 2 2 . 1 1 1 1 LYS CB C 13 33.46 0.05 . 1 . . . . 1 LYS CB . 16503 2 3 . 1 1 2 2 GLU H H 1 8.950 0.005 . 1 . . . . 2 GLU H . 16503 2 4 . 1 1 2 2 GLU CA C 13 55.87 0.05 . 1 . . . . 2 GLU CA . 16503 2 5 . 1 1 2 2 GLU CB C 13 29.25 0.05 . 1 . . . . 2 GLU CB . 16503 2 6 . 1 1 2 2 GLU N N 15 123.9 0.08 . 1 . . . . 2 GLU N . 16503 2 7 . 1 1 3 3 THR H H 1 8.469 0.005 . 1 . . . . 3 THR H . 16503 2 8 . 1 1 3 3 THR CA C 13 61.82 0.05 . 1 . . . . 3 THR CA . 16503 2 9 . 1 1 3 3 THR CB C 13 70.24 0.05 . 1 . . . . 3 THR CB . 16503 2 10 . 1 1 3 3 THR N N 15 117.0 0.08 . 1 . . . . 3 THR N . 16503 2 11 . 1 1 4 4 ALA H H 1 8.421 0.005 . 1 . . . . 4 ALA H . 16503 2 12 . 1 1 4 4 ALA CA C 13 52.48 0.05 . 1 . . . . 4 ALA CA . 16503 2 13 . 1 1 4 4 ALA CB C 13 19.50 0.05 . 1 . . . . 4 ALA CB . 16503 2 14 . 1 1 4 4 ALA N N 15 126.6 0.08 . 1 . . . . 4 ALA N . 16503 2 15 . 1 1 5 5 ALA H H 1 8.285 0.005 . 1 . . . . 5 ALA H . 16503 2 16 . 1 1 5 5 ALA CA C 13 52.47 0.05 . 1 . . . . 5 ALA CA . 16503 2 17 . 1 1 5 5 ALA CB C 13 19.40 0.05 . 1 . . . . 5 ALA CB . 16503 2 18 . 1 1 5 5 ALA N N 15 123.6 0.08 . 1 . . . . 5 ALA N . 16503 2 19 . 1 1 6 6 ALA H H 1 8.231 0.005 . 1 . . . . 6 ALA H . 16503 2 20 . 1 1 6 6 ALA CA C 13 52.54 0.05 . 1 . . . . 6 ALA CA . 16503 2 21 . 1 1 6 6 ALA CB C 13 19.36 0.05 . 1 . . . . 6 ALA CB . 16503 2 22 . 1 1 6 6 ALA N N 15 123.6 0.08 . 1 . . . . 6 ALA N . 16503 2 23 . 1 1 7 7 LYS H H 1 8.249 0.005 . 1 . . . . 7 LYS H . 16503 2 24 . 1 1 7 7 LYS CA C 13 56.61 0.05 . 1 . . . . 7 LYS CA . 16503 2 25 . 1 1 7 7 LYS CB C 13 33.39 0.05 . 1 . . . . 7 LYS CB . 16503 2 26 . 1 1 7 7 LYS N N 15 120.7 0.08 . 1 . . . . 7 LYS N . 16503 2 27 . 1 1 8 8 PHE H H 1 8.261 0.005 . 1 . . . . 8 PHE H . 16503 2 28 . 1 1 8 8 PHE CA C 13 57.64 0.05 . 1 . . . . 8 PHE CA . 16503 2 29 . 1 1 8 8 PHE CB C 13 39.80 0.05 . 1 . . . . 8 PHE CB . 16503 2 30 . 1 1 8 8 PHE N N 15 120.8 0.08 . 1 . . . . 8 PHE N . 16503 2 31 . 1 1 9 9 GLU H H 1 8.340 0.005 . 1 . . . . 9 GLU H . 16503 2 32 . 1 1 9 9 GLU CA C 13 55.54 0.05 . 1 . . . . 9 GLU CA . 16503 2 33 . 1 1 9 9 GLU CB C 13 29.38 0.05 . 1 . . . . 9 GLU CB . 16503 2 34 . 1 1 9 9 GLU N N 15 122.5 0.08 . 1 . . . . 9 GLU N . 16503 2 35 . 1 1 10 10 ARG H H 1 8.431 0.005 . 1 . . . . 10 ARG H . 16503 2 36 . 1 1 10 10 ARG CA C 13 56.41 0.05 . 1 . . . . 10 ARG CA . 16503 2 37 . 1 1 10 10 ARG CB C 13 30.96 0.05 . 1 . . . . 10 ARG CB . 16503 2 38 . 1 1 10 10 ARG N N 15 122.9 0.08 . 1 . . . . 10 ARG N . 16503 2 39 . 1 1 11 11 GLN H H 1 8.562 0.005 . 1 . . . . 11 GLN H . 16503 2 40 . 1 1 11 11 GLN CA C 13 56.06 0.05 . 1 . . . . 11 GLN CA . 16503 2 41 . 1 1 11 11 GLN CB C 13 29.85 0.05 . 1 . . . . 11 GLN CB . 16503 2 42 . 1 1 11 11 GLN N N 15 121.7 0.08 . 1 . . . . 11 GLN N . 16503 2 43 . 1 1 12 12 HIS H H 1 8.748 0.005 . 1 . . . . 12 HIS H . 16503 2 44 . 1 1 12 12 HIS CA C 13 55.46 0.05 . 1 . . . . 12 HIS CA . 16503 2 45 . 1 1 12 12 HIS CB C 13 29.06 0.05 . 1 . . . . 12 HIS CB . 16503 2 46 . 1 1 12 12 HIS N N 15 120.3 0.08 . 1 . . . . 12 HIS N . 16503 2 47 . 1 1 13 13 MET H H 1 8.606 0.005 . 1 . . . . 13 MET H . 16503 2 48 . 1 1 13 13 MET CA C 13 55.50 0.05 . 1 . . . . 13 MET CA . 16503 2 49 . 1 1 13 13 MET CB C 13 33.35 0.05 . 1 . . . . 13 MET CB . 16503 2 50 . 1 1 13 13 MET N N 15 122.7 0.08 . 1 . . . . 13 MET N . 16503 2 51 . 1 1 14 14 ASP H H 1 8.763 0.005 . 1 . . . . 14 ASP H . 16503 2 52 . 1 1 14 14 ASP CA C 13 53.04 0.05 . 1 . . . . 14 ASP CA . 16503 2 53 . 1 1 14 14 ASP CB C 13 38.42 0.05 . 1 . . . . 14 ASP CB . 16503 2 54 . 1 1 14 14 ASP N N 15 121.2 0.08 . 1 . . . . 14 ASP N . 16503 2 55 . 1 1 15 15 SER H H 1 8.436 0.005 . 1 . . . . 15 SER H . 16503 2 56 . 1 1 15 15 SER CA C 13 58.46 0.05 . 1 . . . . 15 SER CA . 16503 2 57 . 1 1 15 15 SER CB C 13 64.03 0.05 . 1 . . . . 15 SER CB . 16503 2 58 . 1 1 15 15 SER N N 15 116.6 0.08 . 1 . . . . 15 SER N . 16503 2 59 . 1 1 16 16 SER H H 1 8.370 0.005 . 1 . . . . 16 SER H . 16503 2 60 . 1 1 16 16 SER CA C 13 58.58 0.05 . 1 . . . . 16 SER CA . 16503 2 61 . 1 1 16 16 SER CB C 13 63.96 0.05 . 1 . . . . 16 SER CB . 16503 2 62 . 1 1 16 16 SER N N 15 117.5 0.08 . 1 . . . . 16 SER N . 16503 2 63 . 1 1 17 17 THR H H 1 8.259 0.005 . 1 . . . . 17 THR H . 16503 2 64 . 1 1 17 17 THR CA C 13 61.86 0.05 . 1 . . . . 17 THR CA . 16503 2 65 . 1 1 17 17 THR CB C 13 69.95 0.05 . 1 . . . . 17 THR CB . 16503 2 66 . 1 1 17 17 THR N N 15 115.3 0.08 . 1 . . . . 17 THR N . 16503 2 67 . 1 1 18 18 SER H H 1 8.328 0.005 . 1 . . . . 18 SER H . 16503 2 68 . 1 1 18 18 SER CA C 13 58.40 0.05 . 1 . . . . 18 SER CA . 16503 2 69 . 1 1 18 18 SER CB C 13 64.08 0.05 . 1 . . . . 18 SER CB . 16503 2 70 . 1 1 18 18 SER N N 15 117.9 0.08 . 1 . . . . 18 SER N . 16503 2 71 . 1 1 19 19 ALA H H 1 8.367 0.005 . 1 . . . . 19 ALA H . 16503 2 72 . 1 1 19 19 ALA CA C 13 52.68 0.05 . 1 . . . . 19 ALA CA . 16503 2 73 . 1 1 19 19 ALA CB C 13 19.34 0.05 . 1 . . . . 19 ALA CB . 16503 2 74 . 1 1 19 19 ALA N N 15 126.2 0.08 . 1 . . . . 19 ALA N . 16503 2 75 . 1 1 20 20 ALA H H 1 8.263 0.005 . 1 . . . . 20 ALA H . 16503 2 76 . 1 1 20 20 ALA CA C 13 52.01 0.05 . 1 . . . . 20 ALA CA . 16503 2 77 . 1 1 20 20 ALA CB C 13 19.06 0.05 . 1 . . . . 20 ALA CB . 16503 2 78 . 1 1 20 20 ALA N N 15 123.1 0.08 . 1 . . . . 20 ALA N . 16503 2 79 . 1 1 21 21 SER H H 1 8.800 0.05 . 1 . . . . 21 SER H . 16503 2 80 . 1 1 21 21 SER CA C 13 58.44 0.05 . 1 . . . . 21 SER CA . 16503 2 81 . 1 1 21 21 SER CB C 13 63.98 0.05 . 1 . . . . 21 SER CB . 16503 2 82 . 1 1 21 21 SER N N 15 117.8 0.08 . 1 . . . . 21 SER N . 16503 2 83 . 1 1 22 22 SER H H 1 8.477 0.005 . 1 . . . . 22 SER H . 16503 2 84 . 1 1 22 22 SER CA C 13 58.54 0.05 . 1 . . . . 22 SER CA . 16503 2 85 . 1 1 22 22 SER N N 15 117.8 0.08 . 1 . . . . 22 SER N . 16503 2 86 . 1 1 23 23 SER CA C 13 58.59 0.05 . 1 . . . . 23 SER CA . 16503 2 87 . 1 1 23 23 SER CB C 13 63.94 0.05 . 1 . . . . 23 SER CB . 16503 2 88 . 1 1 24 24 ASN H H 1 8.501 0.005 . 1 . . . . 24 ASN H . 16503 2 89 . 1 1 24 24 ASN CA C 13 53.34 0.05 . 1 . . . . 24 ASN CA . 16503 2 90 . 1 1 24 24 ASN CB C 13 38.98 0.05 . 1 . . . . 24 ASN CB . 16503 2 91 . 1 1 24 24 ASN N N 15 120.8 0.08 . 1 . . . . 24 ASN N . 16503 2 92 . 1 1 25 25 TYR H H 1 8.226 0.005 . 1 . . . . 25 TYR H . 16503 2 93 . 1 1 25 25 TYR CA C 13 59.00 0.05 . 1 . . . . 25 TYR CA . 16503 2 94 . 1 1 25 25 TYR CB C 13 38.54 0.05 . 1 . . . . 25 TYR CB . 16503 2 95 . 1 1 25 25 TYR N N 15 121.0 0.08 . 1 . . . . 25 TYR N . 16503 2 96 . 1 1 26 26 CYS H H 1 8.465 0.005 . 1 . . . . 26 CYS H . 16503 2 97 . 1 1 26 26 CYS CA C 13 55.60 0.05 . 1 . . . . 26 CYS CA . 16503 2 98 . 1 1 26 26 CYS CB C 13 40.28 0.05 . 1 . . . . 26 CYS CB . 16503 2 99 . 1 1 26 26 CYS N N 15 118.9 0.08 . 1 . . . . 26 CYS N . 16503 2 100 . 1 1 27 27 ASN H H 1 8.583 0.005 . 1 . . . . 27 ASN H . 16503 2 101 . 1 1 27 27 ASN CA C 13 53.83 0.05 . 1 . . . . 27 ASN CA . 16503 2 102 . 1 1 27 27 ASN CB C 13 38.88 0.05 . 1 . . . . 27 ASN CB . 16503 2 103 . 1 1 27 27 ASN N N 15 120.3 0.08 . 1 . . . . 27 ASN N . 16503 2 104 . 1 1 28 28 GLN H H 1 8.326 0.005 . 1 . . . . 28 GLN H . 16503 2 105 . 1 1 28 28 GLN CA C 13 56.47 0.05 . 1 . . . . 28 GLN CA . 16503 2 106 . 1 1 28 28 GLN CB C 13 29.53 0.05 . 1 . . . . 28 GLN CB . 16503 2 107 . 1 1 28 28 GLN N N 15 120.5 0.08 . 1 . . . . 28 GLN N . 16503 2 108 . 1 1 29 29 MET H H 1 8.342 0.005 . 1 . . . . 29 MET H . 16503 2 109 . 1 1 29 29 MET CA C 13 56.03 0.05 . 1 . . . . 29 MET CA . 16503 2 110 . 1 1 29 29 MET CB C 13 32.99 0.05 . 1 . . . . 29 MET CB . 16503 2 111 . 1 1 29 29 MET N N 15 120.7 0.08 . 1 . . . . 29 MET N . 16503 2 112 . 1 1 30 30 MET H H 1 8.362 0.005 . 1 . . . . 30 MET H . 16503 2 113 . 1 1 30 30 MET CA C 13 55.86 0.05 . 1 . . . . 30 MET CA . 16503 2 114 . 1 1 30 30 MET CB C 13 33.09 0.05 . 1 . . . . 30 MET CB . 16503 2 115 . 1 1 30 30 MET N N 15 121.3 0.08 . 1 . . . . 30 MET N . 16503 2 116 . 1 1 31 31 LYS H H 1 8.409 0.005 . 1 . . . . 31 LYS H . 16503 2 117 . 1 1 31 31 LYS CA C 13 56.65 0.05 . 1 . . . . 31 LYS CA . 16503 2 118 . 1 1 31 31 LYS CB C 13 33.30 0.05 . 1 . . . . 31 LYS CB . 16503 2 119 . 1 1 31 31 LYS N N 15 122.6 0.08 . 1 . . . . 31 LYS N . 16503 2 120 . 1 1 32 32 SER H H 1 8.346 0.005 . 1 . . . . 32 SER H . 16503 2 121 . 1 1 32 32 SER CA C 13 58.42 0.05 . 1 . . . . 32 SER CA . 16503 2 122 . 1 1 32 32 SER CB C 13 64.06 0.05 . 1 . . . . 32 SER CB . 16503 2 123 . 1 1 32 32 SER N N 15 116.7 0.08 . 1 . . . . 32 SER N . 16503 2 124 . 1 1 33 33 ARG H H 1 8.497 0.005 . 1 . . . . 33 ARG H . 16503 2 125 . 1 1 33 33 ARG CA C 13 56.40 0.05 . 1 . . . . 33 ARG CA . 16503 2 126 . 1 1 33 33 ARG CB C 13 31.08 0.05 . 1 . . . . 33 ARG CB . 16503 2 127 . 1 1 33 33 ARG N N 15 122.9 0.08 . 1 . . . . 33 ARG N . 16503 2 128 . 1 1 34 34 ASN H H 1 8.493 0.005 . 1 . . . . 34 ASN H . 16503 2 129 . 1 1 34 34 ASN CA C 13 53.27 0.05 . 1 . . . . 34 ASN CA . 16503 2 130 . 1 1 34 34 ASN CB C 13 38.96 0.05 . 1 . . . . 34 ASN CB . 16503 2 131 . 1 1 34 34 ASN N N 15 119.4 0.08 . 1 . . . . 34 ASN N . 16503 2 132 . 1 1 35 35 LEU H H 1 8.331 0.005 . 1 . . . . 35 LEU H . 16503 2 133 . 1 1 35 35 LEU CA C 13 55.38 0.05 . 1 . . . . 35 LEU CA . 16503 2 134 . 1 1 35 35 LEU CB C 13 42.45 0.05 . 1 . . . . 35 LEU CB . 16503 2 135 . 1 1 35 35 LEU N N 15 123.0 0.08 . 1 . . . . 35 LEU N . 16503 2 136 . 1 1 36 36 THR H H 1 8.206 0.005 . 1 . . . . 36 THR H . 16503 2 137 . 1 1 36 36 THR CA C 13 62.29 0.05 . 1 . . . . 36 THR CA . 16503 2 138 . 1 1 36 36 THR CB C 13 69.92 0.05 . 1 . . . . 36 THR CB . 16503 2 139 . 1 1 36 36 THR N N 15 114.9 0.08 . 1 . . . . 36 THR N . 16503 2 140 . 1 1 37 37 LYS H H 1 8.342 0.005 . 1 . . . . 37 LYS H . 16503 2 141 . 1 1 37 37 LYS CA C 13 56.52 0.05 . 1 . . . . 37 LYS CA . 16503 2 142 . 1 1 37 37 LYS CB C 13 33.28 0.05 . 1 . . . . 37 LYS CB . 16503 2 143 . 1 1 37 37 LYS N N 15 123.4 0.08 . 1 . . . . 37 LYS N . 16503 2 144 . 1 1 38 38 ASP H H 1 8.489 0.005 . 1 . . . . 38 ASP H . 16503 2 145 . 1 1 38 38 ASP CA C 13 53.01 0.05 . 1 . . . . 38 ASP CA . 16503 2 146 . 1 1 38 38 ASP CB C 13 38.46 0.05 . 1 . . . . 38 ASP CB . 16503 2 147 . 1 1 38 38 ASP N N 15 120.0 0.08 . 1 . . . . 38 ASP N . 16503 2 148 . 1 1 39 39 ARG H H 1 8.443 0.005 . 1 . . . . 39 ARG H . 16503 2 149 . 1 1 39 39 ARG CA C 13 56.28 0.05 . 1 . . . . 39 ARG CA . 16503 2 150 . 1 1 39 39 ARG CB C 13 31.20 0.05 . 1 . . . . 39 ARG CB . 16503 2 151 . 1 1 39 39 ARG N N 15 121.9 0.08 . 1 . . . . 39 ARG N . 16503 2 152 . 1 1 40 40 CYS H H 1 8.447 0.005 . 1 . . . . 40 CYS H . 16503 2 153 . 1 1 40 40 CYS CA C 13 54.95 0.05 . 1 . . . . 40 CYS CA . 16503 2 154 . 1 1 40 40 CYS CB C 13 40.92 0.05 . 1 . . . . 40 CYS CB . 16503 2 155 . 1 1 40 40 CYS N N 15 119.5 0.08 . 1 . . . . 40 CYS N . 16503 2 156 . 1 1 41 41 LYS H H 1 8.763 0.005 . 1 . . . . 41 LYS H . 16503 2 157 . 1 1 41 41 LYS CA C 13 54.61 0.05 . 1 . . . . 41 LYS CA . 16503 2 158 . 1 1 41 41 LYS CB C 13 32.96 0.05 . 1 . . . . 41 LYS CB . 16503 2 159 . 1 1 41 41 LYS N N 15 124.8 0.08 . 1 . . . . 41 LYS N . 16503 2 160 . 1 1 42 42 PRO CA C 13 63.14 0.05 . 1 . . . . 42 PRO CA . 16503 2 161 . 1 1 42 42 PRO CB C 13 32.22 0.05 . 1 . . . . 42 PRO CB . 16503 2 162 . 1 1 43 43 VAL H H 1 8.302 0.005 . 1 . . . . 43 VAL H . 16503 2 163 . 1 1 43 43 VAL CA C 13 62.17 0.05 . 1 . . . . 43 VAL CA . 16503 2 164 . 1 1 43 43 VAL CB C 13 33.22 0.05 . 1 . . . . 43 VAL CB . 16503 2 165 . 1 1 43 43 VAL N N 15 120.3 0.08 . 1 . . . . 43 VAL N . 16503 2 166 . 1 1 44 44 ASN H H 1 8.697 0.005 . 1 . . . . 44 ASN H . 16503 2 167 . 1 1 44 44 ASN CA C 13 53.10 0.05 . 1 . . . . 44 ASN CA . 16503 2 168 . 1 1 44 44 ASN CB C 13 39.17 0.05 . 1 . . . . 44 ASN CB . 16503 2 169 . 1 1 44 44 ASN N N 15 122.3 0.08 . 1 . . . . 44 ASN N . 16503 2 170 . 1 1 45 45 THR H H 1 8.119 0.005 . 1 . . . . 45 THR H . 16503 2 171 . 1 1 45 45 THR CA C 13 61.97 0.05 . 1 . . . . 45 THR CA . 16503 2 172 . 1 1 45 45 THR CB C 13 69.77 0.05 . 1 . . . . 45 THR CB . 16503 2 173 . 1 1 45 45 THR N N 15 114.5 0.08 . 1 . . . . 45 THR N . 16503 2 174 . 1 1 46 46 PHE H H 1 8.262 0.005 . 1 . . . . 46 PHE H . 16503 2 175 . 1 1 46 46 PHE CA C 13 57.70 0.05 . 1 . . . . 46 PHE CA . 16503 2 176 . 1 1 46 46 PHE CB C 13 39.58 0.05 . 1 . . . . 46 PHE CB . 16503 2 177 . 1 1 46 46 PHE N N 15 122.1 0.08 . 1 . . . . 46 PHE N . 16503 2 178 . 1 1 47 47 VAL H H 1 8.046 0.005 . 1 . . . . 47 VAL H . 16503 2 179 . 1 1 47 47 VAL CA C 13 62.36 0.05 . 1 . . . . 47 VAL CA . 16503 2 180 . 1 1 47 47 VAL CB C 13 33.02 0.05 . 1 . . . . 47 VAL CB . 16503 2 181 . 1 1 47 47 VAL N N 15 121.4 0.08 . 1 . . . . 47 VAL N . 16503 2 182 . 1 1 48 48 HIS H H 1 8.676 0.005 . 1 . . . . 48 HIS H . 16503 2 183 . 1 1 48 48 HIS CA C 13 55.28 0.05 . 1 . . . . 48 HIS CA . 16503 2 184 . 1 1 48 48 HIS CB C 13 28.92 0.05 . 1 . . . . 48 HIS CB . 16503 2 185 . 1 1 48 48 HIS N N 15 122.6 0.08 . 1 . . . . 48 HIS N . 16503 2 186 . 1 1 49 49 GLU H H 1 8.569 0.005 . 1 . . . . 49 GLU H . 16503 2 187 . 1 1 49 49 GLU CA C 13 55.63 0.05 . 1 . . . . 49 GLU CA . 16503 2 188 . 1 1 49 49 GLU CB C 13 29.44 0.05 . 1 . . . . 49 GLU CB . 16503 2 189 . 1 1 49 49 GLU N N 15 122.5 0.08 . 1 . . . . 49 GLU N . 16503 2 190 . 1 1 50 50 SER H H 1 8.469 0.005 . 1 . . . . 50 SER H . 16503 2 191 . 1 1 50 50 SER CA C 13 58.21 0.05 . 1 . . . . 50 SER CA . 16503 2 192 . 1 1 50 50 SER CB C 13 63.95 0.05 . 1 . . . . 50 SER CB . 16503 2 193 . 1 1 50 50 SER N N 15 117.9 0.08 . 1 . . . . 50 SER N . 16503 2 194 . 1 1 51 51 LEU H H 1 8.439 0.005 . 1 . . . . 51 LEU H . 16503 2 195 . 1 1 51 51 LEU CA C 13 55.39 0.05 . 1 . . . . 51 LEU CA . 16503 2 196 . 1 1 51 51 LEU CB C 13 42.36 0.05 . 1 . . . . 51 LEU CB . 16503 2 197 . 1 1 51 51 LEU N N 15 124.7 0.08 . 1 . . . . 51 LEU N . 16503 2 198 . 1 1 52 52 ALA H H 1 8.304 0.005 . 1 . . . . 52 ALA H . 16503 2 199 . 1 1 52 52 ALA CA C 13 52.79 0.05 . 1 . . . . 52 ALA CA . 16503 2 200 . 1 1 52 52 ALA CB C 13 19.33 0.05 . 1 . . . . 52 ALA CB . 16503 2 201 . 1 1 52 52 ALA N N 15 123.5 0.08 . 1 . . . . 52 ALA N . 16503 2 202 . 1 1 53 53 ASP H H 1 8.343 0.005 . 1 . . . . 53 ASP H . 16503 2 203 . 1 1 53 53 ASP CA C 13 53.08 0.05 . 1 . . . . 53 ASP CA . 16503 2 204 . 1 1 53 53 ASP CB C 13 38.12 0.05 . 1 . . . . 53 ASP CB . 16503 2 205 . 1 1 53 53 ASP N N 15 117.8 0.08 . 1 . . . . 53 ASP N . 16503 2 206 . 1 1 54 54 VAL H H 1 8.085 0.005 . 1 . . . . 54 VAL H . 16503 2 207 . 1 1 54 54 VAL CA C 13 62.70 0.05 . 1 . . . . 54 VAL CA . 16503 2 208 . 1 1 54 54 VAL CB C 13 32.88 0.05 . 1 . . . . 54 VAL CB . 16503 2 209 . 1 1 54 54 VAL N N 15 120.1 0.08 . 1 . . . . 54 VAL N . 16503 2 210 . 1 1 55 55 GLN H H 1 8.417 0.005 . 1 . . . . 55 GLN H . 16503 2 211 . 1 1 55 55 GLN CA C 13 56.12 0.05 . 1 . . . . 55 GLN CA . 16503 2 212 . 1 1 55 55 GLN CB C 13 29.63 0.05 . 1 . . . . 55 GLN CB . 16503 2 213 . 1 1 55 55 GLN N N 15 123.1 0.08 . 1 . . . . 55 GLN N . 16503 2 214 . 1 1 56 56 ALA H H 1 8.275 0.005 . 1 . . . . 56 ALA H . 16503 2 215 . 1 1 56 56 ALA CA C 13 52.63 0.05 . 1 . . . . 56 ALA CA . 16503 2 216 . 1 1 56 56 ALA CB C 13 19.58 0.05 . 1 . . . . 56 ALA CB . 16503 2 217 . 1 1 56 56 ALA N N 15 125.3 0.08 . 1 . . . . 56 ALA N . 16503 2 218 . 1 1 57 57 VAL H H 1 8.163 0.005 . 1 . . . . 57 VAL H . 16503 2 219 . 1 1 57 57 VAL CA C 13 62.52 0.05 . 1 . . . . 57 VAL CA . 16503 2 220 . 1 1 57 57 VAL CB C 13 33.12 0.05 . 1 . . . . 57 VAL CB . 16503 2 221 . 1 1 57 57 VAL N N 15 118.9 0.08 . 1 . . . . 57 VAL N . 16503 2 222 . 1 1 58 58 CYS H H 1 8.512 0.005 . 1 . . . . 58 CYS H . 16503 2 223 . 1 1 58 58 CYS CA C 13 55.31 0.05 . 1 . . . . 58 CYS CA . 16503 2 224 . 1 1 58 58 CYS CB C 13 40.84 0.05 . 1 . . . . 58 CYS CB . 16503 2 225 . 1 1 58 58 CYS N N 15 121.4 0.08 . 1 . . . . 58 CYS N . 16503 2 226 . 1 1 59 59 SER CA C 13 58.61 0.05 . 1 . . . . 59 SER CA . 16503 2 227 . 1 1 60 60 GLN H H 1 8.515 0.005 . 1 . . . . 60 GLN H . 16503 2 228 . 1 1 60 60 GLN CA C 13 55.84 0.05 . 1 . . . . 60 GLN CA . 16503 2 229 . 1 1 60 60 GLN CB C 13 29.80 0.05 . 1 . . . . 60 GLN CB . 16503 2 230 . 1 1 60 60 GLN N N 15 123.0 0.08 . 1 . . . . 60 GLN N . 16503 2 231 . 1 1 61 61 LYS H H 1 8.413 0.005 . 1 . . . . 61 LYS H . 16503 2 232 . 1 1 61 61 LYS CA C 13 56.45 0.05 . 1 . . . . 61 LYS CA . 16503 2 233 . 1 1 61 61 LYS CB C 13 33.53 0.05 . 1 . . . . 61 LYS CB . 16503 2 234 . 1 1 61 61 LYS N N 15 122.1 0.08 . 1 . . . . 61 LYS N . 16503 2 235 . 1 1 62 62 ASN H H 1 8.431 0.005 . 1 . . . . 62 ASN H . 16503 2 236 . 1 1 62 62 ASN CA C 13 53.25 0.05 . 1 . . . . 62 ASN CA . 16503 2 237 . 1 1 62 62 ASN CB C 13 39.10 0.05 . 1 . . . . 62 ASN CB . 16503 2 238 . 1 1 62 62 ASN N N 15 120.5 0.08 . 1 . . . . 62 ASN N . 16503 2 239 . 1 1 63 63 VAL H H 1 8.059 0.005 . 1 . . . . 63 VAL H . 16503 2 240 . 1 1 63 63 VAL CA C 13 62.06 0.05 . 1 . . . . 63 VAL CA . 16503 2 241 . 1 1 63 63 VAL CB C 13 33.05 0.05 . 1 . . . . 63 VAL CB . 16503 2 242 . 1 1 63 63 VAL N N 15 120.4 0.08 . 1 . . . . 63 VAL N . 16503 2 243 . 1 1 64 64 ALA H H 1 8.391 0.005 . 1 . . . . 64 ALA H . 16503 2 244 . 1 1 64 64 ALA CA C 13 52.44 0.05 . 1 . . . . 64 ALA CA . 16503 2 245 . 1 1 64 64 ALA CB C 13 19.63 0.05 . 1 . . . . 64 ALA CB . 16503 2 246 . 1 1 64 64 ALA N N 15 127.1 0.08 . 1 . . . . 64 ALA N . 16503 2 247 . 1 1 65 65 CYS H H 1 8.384 0.005 . 1 . . . . 65 CYS H . 16503 2 248 . 1 1 65 65 CYS CA C 13 55.03 0.05 . 1 . . . . 65 CYS CA . 16503 2 249 . 1 1 65 65 CYS CB C 13 40.87 0.05 . 1 . . . . 65 CYS CB . 16503 2 250 . 1 1 66 66 LYS H H 1 8.84 0.005 . 1 . . . . 66 LYS H . 16503 2 251 . 1 1 66 66 LYS CA C 13 56.68 0.05 . 1 . . . . 66 LYS CA . 16503 2 252 . 1 1 66 66 LYS CB C 13 33.52 0.05 . 1 . . . . 66 LYS CB . 16503 2 253 . 1 1 66 66 LYS N N 15 124.1 0.08 . 1 . . . . 66 LYS N . 16503 2 254 . 1 1 67 67 ASN H H 1 8.597 0.005 . 1 . . . . 67 ASN H . 16503 2 255 . 1 1 67 67 ASN CA C 13 54.28 0.05 . 1 . . . . 67 ASN CA . 16503 2 256 . 1 1 67 67 ASN CB C 13 38.36 0.05 . 1 . . . . 67 ASN CB . 16503 2 257 . 1 1 67 67 ASN N N 15 118.8 0.08 . 1 . . . . 67 ASN N . 16503 2 258 . 1 1 68 68 GLY H H 1 8.546 0.005 . 1 . . . . 68 GLY H . 16503 2 259 . 1 1 68 68 GLY CA C 13 45.66 0.05 . 1 . . . . 68 GLY CA . 16503 2 260 . 1 1 68 68 GLY N N 15 110.2 0.08 . 1 . . . . 68 GLY N . 16503 2 261 . 1 1 69 69 GLN H H 1 7.951 0.005 . 1 . . . . 69 GLN H . 16503 2 262 . 1 1 69 69 GLN CA C 13 56.15 0.05 . 1 . . . . 69 GLN CA . 16503 2 263 . 1 1 69 69 GLN CB C 13 29.66 0.05 . 1 . . . . 69 GLN CB . 16503 2 264 . 1 1 69 69 GLN N N 15 119.8 0.08 . 1 . . . . 69 GLN N . 16503 2 265 . 1 1 70 70 THR H H 1 8.355 0.005 . 1 . . . . 70 THR H . 16503 2 266 . 1 1 70 70 THR CA C 13 62.69 0.05 . 1 . . . . 70 THR CA . 16503 2 267 . 1 1 70 70 THR CB C 13 69.71 0.05 . 1 . . . . 70 THR CB . 16503 2 268 . 1 1 70 70 THR N N 15 114.0 0.08 . 1 . . . . 70 THR N . 16503 2 269 . 1 1 71 71 ASN H H 1 8.436 0.005 . 1 . . . . 71 ASN H . 16503 2 270 . 1 1 71 71 ASN CA C 13 53.32 0.05 . 1 . . . . 71 ASN CA . 16503 2 271 . 1 1 71 71 ASN CB C 13 38.33 0.05 . 1 . . . . 71 ASN CB . 16503 2 272 . 1 1 71 71 ASN N N 15 119.0 0.08 . 1 . . . . 71 ASN N . 16503 2 273 . 1 1 72 72 CYS H H 1 8.148 0.005 . 1 . . . . 72 CYS H . 16503 2 274 . 1 1 72 72 CYS CA C 13 56.49 0.05 . 1 . . . . 72 CYS CA . 16503 2 275 . 1 1 72 72 CYS CB C 13 41.41 0.05 . 1 . . . . 72 CYS CB . 16503 2 276 . 1 1 72 72 CYS N N 15 117.8 0.08 . 1 . . . . 72 CYS N . 16503 2 277 . 1 1 73 73 TYR H H 1 8.345 0.005 . 1 . . . . 73 TYR H . 16503 2 278 . 1 1 73 73 TYR CA C 13 57.94 0.05 . 1 . . . . 73 TYR CA . 16503 2 279 . 1 1 73 73 TYR CB C 13 39.00 0.05 . 1 . . . . 73 TYR CB . 16503 2 280 . 1 1 73 73 TYR N N 15 122.0 0.08 . 1 . . . . 73 TYR N . 16503 2 281 . 1 1 74 74 GLN H H 1 8.351 0.005 . 1 . . . . 74 GLN H . 16503 2 282 . 1 1 74 74 GLN CA C 13 55.70 0.05 . 1 . . . . 74 GLN CA . 16503 2 283 . 1 1 74 74 GLN CB C 13 29.98 0.05 . 1 . . . . 74 GLN CB . 16503 2 284 . 1 1 74 74 GLN N N 15 122.2 0.08 . 1 . . . . 74 GLN N . 16503 2 285 . 1 1 75 75 SER H H 1 8.338 0.005 . 1 . . . . 75 SER H . 16503 2 286 . 1 1 75 75 SER CA C 13 58.25 0.05 . 1 . . . . 75 SER CA . 16503 2 287 . 1 1 75 75 SER CB C 13 64.00 0.05 . 1 . . . . 75 SER CB . 16503 2 288 . 1 1 75 75 SER N N 15 117.4 0.08 . 1 . . . . 75 SER N . 16503 2 289 . 1 1 76 76 TYR H H 1 8.287 0.005 . 1 . . . . 76 TYR H . 16503 2 290 . 1 1 76 76 TYR CA C 13 57.97 0.05 . 1 . . . . 76 TYR CA . 16503 2 291 . 1 1 76 76 TYR CB C 13 39.23 0.05 . 1 . . . . 76 TYR CB . 16503 2 292 . 1 1 76 76 TYR N N 15 122.1 0.08 . 1 . . . . 76 TYR N . 16503 2 293 . 1 1 77 77 SER H H 1 8.373 0.005 . 1 . . . . 77 SER H . 16503 2 294 . 1 1 77 77 SER CA C 13 58.16 0.05 . 1 . . . . 77 SER CA . 16503 2 295 . 1 1 77 77 SER CB C 13 64.28 0.05 . 1 . . . . 77 SER CB . 16503 2 296 . 1 1 77 77 SER N N 15 117.1 0.08 . 1 . . . . 77 SER N . 16503 2 297 . 1 1 78 78 THR H H 1 8.309 0.005 . 1 . . . . 78 THR H . 16503 2 298 . 1 1 78 78 THR CA C 13 61.97 0.05 . 1 . . . . 78 THR CA . 16503 2 299 . 1 1 78 78 THR CB C 13 69.84 0.05 . 1 . . . . 78 THR CB . 16503 2 300 . 1 1 78 78 THR N N 15 115.8 0.08 . 1 . . . . 78 THR N . 16503 2 301 . 1 1 79 79 MET H H 1 8.339 0.005 . 1 . . . . 79 MET H . 16503 2 302 . 1 1 79 79 MET CA C 13 55.73 0.05 . 1 . . . . 79 MET CA . 16503 2 303 . 1 1 79 79 MET CB C 13 33.47 0.05 . 1 . . . . 79 MET CB . 16503 2 304 . 1 1 79 79 MET N N 15 122.3 0.08 . 1 . . . . 79 MET N . 16503 2 305 . 1 1 80 80 SER H H 1 8.397 0.005 . 1 . . . . 80 SER H . 16503 2 306 . 1 1 80 80 SER CA C 13 58.37 0.05 . 1 . . . . 80 SER CA . 16503 2 307 . 1 1 80 80 SER CB C 13 63.97 0.05 . 1 . . . . 80 SER CB . 16503 2 308 . 1 1 80 80 SER N N 15 117.5 0.08 . 1 . . . . 80 SER N . 16503 2 309 . 1 1 81 81 ILE CA C 13 61.50 0.05 . 1 . . . . 81 ILE CA . 16503 2 310 . 1 1 81 81 ILE CB C 13 39.01 0.05 . 1 . . . . 81 ILE CB . 16503 2 311 . 1 1 82 82 THR H H 1 8.212 0.005 . 1 . . . . 82 THR H . 16503 2 312 . 1 1 82 82 THR CA C 13 61.87 0.05 . 1 . . . . 82 THR CA . 16503 2 313 . 1 1 82 82 THR CB C 13 69.92 0.05 . 1 . . . . 82 THR CB . 16503 2 314 . 1 1 82 82 THR N N 15 117.1 0.08 . 1 . . . . 82 THR N . 16503 2 315 . 1 1 83 83 ASP H H 1 8.450 0.005 . 1 . . . . 83 ASP H . 16503 2 316 . 1 1 83 83 ASP CA C 13 53.04 0.05 . 1 . . . . 83 ASP CA . 16503 2 317 . 1 1 83 83 ASP CB C 13 38.41 0.05 . 1 . . . . 83 ASP CB . 16503 2 318 . 1 1 83 83 ASP N N 15 121.3 0.08 . 1 . . . . 83 ASP N . 16503 2 319 . 1 1 84 84 CYS H H 1 8.473 0.005 . 1 . . . . 84 CYS H . 16503 2 320 . 1 1 84 84 CYS CA C 13 55.26 0.05 . 1 . . . . 84 CYS CA . 16503 2 321 . 1 1 84 84 CYS CB C 13 40.49 0.05 . 1 . . . . 84 CYS CB . 16503 2 322 . 1 1 84 84 CYS N N 15 119.3 0.08 . 1 . . . . 84 CYS N . 16503 2 323 . 1 1 85 85 ARG CA C 13 55.79 0.05 . 1 . . . . 85 ARG CA . 16503 2 324 . 1 1 85 85 ARG CB C 13 29.17 0.05 . 1 . . . . 85 ARG CB . 16503 2 325 . 1 1 86 86 GLU CA C 13 55.79 0.05 . 1 . . . . 86 GLU CA . 16503 2 326 . 1 1 86 86 GLU CB C 13 29.17 0.05 . 1 . . . . 86 GLU CB . 16503 2 327 . 1 1 87 87 THR H H 1 8.309 0.005 . 1 . . . . 87 THR H . 16503 2 328 . 1 1 87 87 THR CA C 13 61.92 0.05 . 1 . . . . 87 THR CA . 16503 2 329 . 1 1 87 87 THR CB C 13 70.15 0.05 . 1 . . . . 87 THR CB . 16503 2 330 . 1 1 87 87 THR N N 15 114.9 0.08 . 1 . . . . 87 THR N . 16503 2 331 . 1 1 88 88 GLY H H 1 8.433 0.005 . 1 . . . . 88 GLY H . 16503 2 332 . 1 1 88 88 GLY CA C 13 45.40 0.05 . 1 . . . . 88 GLY CA . 16503 2 333 . 1 1 88 88 GLY N N 15 110.8 0.08 . 1 . . . . 88 GLY N . 16503 2 334 . 1 1 89 89 SER H H 1 8.280 0.005 . 1 . . . . 89 SER H . 16503 2 335 . 1 1 89 89 SER CA C 13 58.33 0.05 . 1 . . . . 89 SER CA . 16503 2 336 . 1 1 89 89 SER CB C 13 64.13 0.05 . 1 . . . . 89 SER CB . 16503 2 337 . 1 1 89 89 SER N N 15 115.3 0.08 . 1 . . . . 89 SER N . 16503 2 338 . 1 1 90 90 SER H H 1 8.454 0.005 . 1 . . . . 90 SER H . 16503 2 339 . 1 1 90 90 SER CA C 13 58.46 0.05 . 1 . . . . 90 SER CA . 16503 2 340 . 1 1 90 90 SER CB C 13 63.86 0.05 . 1 . . . . 90 SER CB . 16503 2 341 . 1 1 90 90 SER N N 15 118.0 0.08 . 1 . . . . 90 SER N . 16503 2 342 . 1 1 91 91 LYS H H 1 8.303 0.005 . 1 . . . . 91 LYS H . 16503 2 343 . 1 1 91 91 LYS CA C 13 56.90 0.05 . 1 . . . . 91 LYS CA . 16503 2 344 . 1 1 91 91 LYS CB C 13 33.37 0.05 . 1 . . . . 91 LYS CB . 16503 2 345 . 1 1 91 91 LYS N N 15 123.1 0.08 . 1 . . . . 91 LYS N . 16503 2 346 . 1 1 92 92 TYR H H 1 8.156 0.005 . 1 . . . . 92 TYR H . 16503 2 347 . 1 1 92 92 TYR CA C 13 55.42 0.05 . 1 . . . . 92 TYR CA . 16503 2 348 . 1 1 92 92 TYR CB C 13 38.58 0.05 . 1 . . . . 92 TYR CB . 16503 2 349 . 1 1 92 92 TYR N N 15 120.6 0.08 . 1 . . . . 92 TYR N . 16503 2 350 . 1 1 93 93 PRO CA C 13 63.17 0.05 . 1 . . . . 93 PRO CA . 16503 2 351 . 1 1 93 93 PRO CB C 13 32.31 0.05 . 1 . . . . 93 PRO CB . 16503 2 352 . 1 1 94 94 ASN H H 1 8.553 0.005 . 1 . . . . 94 ASN H . 16503 2 353 . 1 1 94 94 ASN CA C 13 53.30 0.05 . 1 . . . . 94 ASN CA . 16503 2 354 . 1 1 94 94 ASN CB C 13 38.97 0.05 . 1 . . . . 94 ASN CB . 16503 2 355 . 1 1 94 94 ASN N N 15 119.1 0.08 . 1 . . . . 94 ASN N . 16503 2 356 . 1 1 95 95 CYS CA C 13 55.16 0.05 . 1 . . . . 95 CYS CA . 16503 2 357 . 1 1 96 96 ALA H H 1 8.423 0.005 . 1 . . . . 96 ALA H . 16503 2 358 . 1 1 96 96 ALA CA C 13 52.56 0.05 . 1 . . . . 96 ALA CA . 16503 2 359 . 1 1 96 96 ALA CB C 13 19.49 0.05 . 1 . . . . 96 ALA CB . 16503 2 360 . 1 1 96 96 ALA N N 15 125.2 0.08 . 1 . . . . 96 ALA N . 16503 2 361 . 1 1 97 97 TYR H H 1 8.143 0.005 . 1 . . . . 97 TYR H . 16503 2 362 . 1 1 97 97 TYR CA C 13 57.66 0.05 . 1 . . . . 97 TYR CA . 16503 2 363 . 1 1 97 97 TYR CB C 13 39.26 0.05 . 1 . . . . 97 TYR CB . 16503 2 364 . 1 1 97 97 TYR N N 15 120.1 0.08 . 1 . . . . 97 TYR N . 16503 2 365 . 1 1 98 98 LYS H H 1 8.409 0.005 . 1 . . . . 98 LYS H . 16503 2 366 . 1 1 98 98 LYS CA C 13 56.25 0.05 . 1 . . . . 98 LYS CA . 16503 2 367 . 1 1 98 98 LYS CB C 13 33.63 0.05 . 1 . . . . 98 LYS CB . 16503 2 368 . 1 1 98 98 LYS N N 15 123.5 0.08 . 1 . . . . 98 LYS N . 16503 2 369 . 1 1 99 99 THR H H 1 8.315 0.005 . 1 . . . . 99 THR H . 16503 2 370 . 1 1 99 99 THR CA C 13 61.71 0.05 . 1 . . . . 99 THR CA . 16503 2 371 . 1 1 99 99 THR N N 15 115.5 0.08 . 1 . . . . 99 THR N . 16503 2 372 . 1 1 100 100 THR H H 1 8.277 0.005 . 1 . . . . 100 THR H . 16503 2 373 . 1 1 100 100 THR CA C 13 61.81 0.05 . 1 . . . . 100 THR CA . 16503 2 374 . 1 1 100 100 THR CB C 13 70.06 0.05 . 1 . . . . 100 THR CB . 16503 2 375 . 1 1 100 100 THR N N 15 115.7 0.08 . 1 . . . . 100 THR N . 16503 2 376 . 1 1 101 101 GLN H H 1 8.277 0.005 . 1 . . . . 101 GLN H . 16503 2 377 . 1 1 101 101 GLN CA C 13 55.93 0.05 . 1 . . . . 101 GLN CA . 16503 2 378 . 1 1 101 101 GLN CB C 13 29.72 0.05 . 1 . . . . 101 GLN CB . 16503 2 379 . 1 1 101 101 GLN N N 15 122.5 0.08 . 1 . . . . 101 GLN N . 16503 2 380 . 1 1 102 102 ALA H H 1 8.369 0.005 . 1 . . . . 102 ALA H . 16503 2 381 . 1 1 102 102 ALA CA C 13 52.72 0.05 . 1 . . . . 102 ALA CA . 16503 2 382 . 1 1 102 102 ALA CB C 13 19.41 0.05 . 1 . . . . 102 ALA CB . 16503 2 383 . 1 1 102 102 ALA N N 15 125.1 0.08 . 1 . . . . 102 ALA N . 16503 2 384 . 1 1 103 103 ASN H H 1 8.402 0.005 . 1 . . . . 103 ASN H . 16503 2 385 . 1 1 103 103 ASN CA C 13 53.17 0.05 . 1 . . . . 103 ASN CA . 16503 2 386 . 1 1 103 103 ASN CB C 13 39.00 0.05 . 1 . . . . 103 ASN CB . 16503 2 387 . 1 1 103 103 ASN N N 15 118.0 0.08 . 1 . . . . 103 ASN N . 16503 2 388 . 1 1 104 104 LYS H H 1 8.296 0.005 . 1 . . . . 104 LYS H . 16503 2 389 . 1 1 104 104 LYS CA C 13 56.47 0.05 . 1 . . . . 104 LYS CA . 16503 2 390 . 1 1 104 104 LYS CB C 13 33.36 0.05 . 1 . . . . 104 LYS CB . 16503 2 391 . 1 1 104 104 LYS N N 15 121.6 0.08 . 1 . . . . 104 LYS N . 16503 2 392 . 1 1 105 105 HIS H H 1 8.664 0.005 . 1 . . . . 105 HIS H . 16503 2 393 . 1 1 105 105 HIS CA C 13 55.19 0.05 . 1 . . . . 105 HIS CA . 16503 2 394 . 1 1 105 105 HIS CB C 13 29.11 0.05 . 1 . . . . 105 HIS CB . 16503 2 395 . 1 1 105 105 HIS N N 15 119.9 0.08 . 1 . . . . 105 HIS N . 16503 2 396 . 1 1 106 106 ILE H H 1 8.304 0.005 . 1 . . . . 106 ILE H . 16503 2 397 . 1 1 106 106 ILE CA C 13 61.01 0.05 . 1 . . . . 106 ILE CA . 16503 2 398 . 1 1 106 106 ILE CB C 13 38.99 0.05 . 1 . . . . 106 ILE CB . 16503 2 399 . 1 1 106 106 ILE N N 15 123.0 0.08 . 1 . . . . 106 ILE N . 16503 2 400 . 1 1 107 107 ILE H H 1 8.461 0.005 . 1 . . . . 107 ILE H . 16503 2 401 . 1 1 107 107 ILE CA C 13 60.81 0.05 . 1 . . . . 107 ILE CA . 16503 2 402 . 1 1 107 107 ILE CB C 13 38.66 0.05 . 1 . . . . 107 ILE CB . 16503 2 403 . 1 1 107 107 ILE N N 15 126.4 0.08 . 1 . . . . 107 ILE N . 16503 2 404 . 1 1 108 108 VAL H H 1 8.405 0.005 . 1 . . . . 108 VAL H . 16503 2 405 . 1 1 108 108 VAL CA C 13 62.00 0.05 . 1 . . . . 108 VAL CA . 16503 2 406 . 1 1 108 108 VAL CB C 13 33.02 0.05 . 1 . . . . 108 VAL CB . 16503 2 407 . 1 1 108 108 VAL N N 15 125.7 0.08 . 1 . . . . 108 VAL N . 16503 2 408 . 1 1 109 109 ALA H H 1 8.443 0.005 . 1 . . . . 109 ALA H . 16503 2 409 . 1 1 109 109 ALA CA C 13 52.25 0.05 . 1 . . . . 109 ALA CA . 16503 2 410 . 1 1 109 109 ALA CB C 13 19.64 0.05 . 1 . . . . 109 ALA CB . 16503 2 411 . 1 1 109 109 ALA N N 15 127.7 0.08 . 1 . . . . 109 ALA N . 16503 2 412 . 1 1 110 110 CYS H H 1 8.487 0.005 . 1 . . . . 110 CYS H . 16503 2 413 . 1 1 110 110 CYS CA C 13 55.22 0.05 . 1 . . . . 110 CYS CA . 16503 2 414 . 1 1 110 110 CYS CB C 13 40.79 0.05 . 1 . . . . 110 CYS CB . 16503 2 415 . 1 1 110 110 CYS N N 15 118.6 0.08 . 1 . . . . 110 CYS N . 16503 2 416 . 1 1 111 111 GLU CA C 13 55.89 0.05 . 1 . . . . 111 GLU CA . 16503 2 417 . 1 1 111 111 GLU CB C 13 29.34 0.05 . 1 . . . . 111 GLU CB . 16503 2 418 . 1 1 112 112 GLY H H 1 8.428 0.005 . 1 . . . . 112 GLY H . 16503 2 419 . 1 1 112 112 GLY CA C 13 45.00 0.05 . 1 . . . . 112 GLY CA . 16503 2 420 . 1 1 112 112 GLY N N 15 109.8 0.08 . 1 . . . . 112 GLY N . 16503 2 421 . 1 1 113 113 ASN H H 1 8.433 0.005 . 1 . . . . 113 ASN H . 16503 2 422 . 1 1 113 113 ASN CA C 13 51.28 0.05 . 1 . . . . 113 ASN CA . 16503 2 423 . 1 1 113 113 ASN CB C 13 39.06 0.05 . 1 . . . . 113 ASN CB . 16503 2 424 . 1 1 113 113 ASN N N 15 119.5 0.08 . 1 . . . . 113 ASN N . 16503 2 425 . 1 1 114 114 PRO CA C 13 63.37 0.05 . 1 . . . . 114 PRO CA . 16503 2 426 . 1 1 114 114 PRO CB C 13 32.21 0.05 . 1 . . . . 114 PRO CB . 16503 2 427 . 1 1 115 115 TYR H H 1 8.289 0.005 . 1 . . . . 115 TYR H . 16503 2 428 . 1 1 115 115 TYR CA C 13 58.06 0.05 . 1 . . . . 115 TYR CA . 16503 2 429 . 1 1 115 115 TYR CB C 13 38.79 0.05 . 1 . . . . 115 TYR CB . 16503 2 430 . 1 1 115 115 TYR N N 15 120.8 0.08 . 1 . . . . 115 TYR N . 16503 2 431 . 1 1 116 116 VAL H H 1 7.888 0.005 . 1 . . . . 116 VAL H . 16503 2 432 . 1 1 116 116 VAL CA C 13 59.31 0.05 . 1 . . . . 116 VAL CA . 16503 2 433 . 1 1 116 116 VAL CB C 13 33.30 0.05 . 1 . . . . 116 VAL CB . 16503 2 434 . 1 1 116 116 VAL N N 15 124.9 0.08 . 1 . . . . 116 VAL N . 16503 2 435 . 1 1 117 117 PRO CA C 13 62.94 0.05 . 1 . . . . 117 PRO CA . 16503 2 436 . 1 1 117 117 PRO CB C 13 32.36 0.05 . 1 . . . . 117 PRO CB . 16503 2 437 . 1 1 118 118 VAL H H 1 8.145 0.005 . 1 . . . . 118 VAL H . 16503 2 438 . 1 1 118 118 VAL CA C 13 62.39 0.05 . 1 . . . . 118 VAL CA . 16503 2 439 . 1 1 118 118 VAL CB C 13 33.07 0.05 . 1 . . . . 118 VAL CB . 16503 2 440 . 1 1 118 118 VAL N N 15 120.3 0.08 . 1 . . . . 118 VAL N . 16503 2 441 . 1 1 119 119 HIS H H 1 8.569 0.005 . 1 . . . . 119 HIS H . 16503 2 442 . 1 1 119 119 HIS C C 13 173.6 0.05 . 1 . . . . 119 HIS C . 16503 2 443 . 1 1 119 119 HIS CA C 13 54.86 0.05 . 1 . . . . 119 HIS CA . 16503 2 444 . 1 1 119 119 HIS CB C 13 29.41 0.05 . 1 . . . . 119 HIS CB . 16503 2 445 . 1 1 119 119 HIS N N 15 122.1 0.08 . 1 . . . . 119 HIS N . 16503 2 446 . 1 1 120 120 PHE H H 1 8.521 0.005 . 1 . . . . 120 PHE H . 16503 2 447 . 1 1 120 120 PHE C C 13 175.1 0.05 . 1 . . . . 120 PHE C . 16503 2 448 . 1 1 120 120 PHE CA C 13 57.75 0.05 . 1 . . . . 120 PHE CA . 16503 2 449 . 1 1 120 120 PHE CB C 13 40.31 0.05 . 1 . . . . 120 PHE CB . 16503 2 450 . 1 1 120 120 PHE N N 15 123.2 0.08 . 1 . . . . 120 PHE N . 16503 2 451 . 1 1 121 121 ASP H H 1 8.665 0.005 . 1 . . . . 121 ASP H . 16503 2 452 . 1 1 121 121 ASP CA C 13 52.67 0.05 . 1 . . . . 121 ASP CA . 16503 2 453 . 1 1 121 121 ASP CB C 13 38.41 0.05 . 1 . . . . 121 ASP CB . 16503 2 454 . 1 1 121 121 ASP N N 15 122.2 0.08 . 1 . . . . 121 ASP N . 16503 2 455 . 1 1 122 122 ALA H H 1 8.260 0.005 . 1 . . . . 122 ALA H . 16503 2 456 . 1 1 122 122 ALA CA C 13 52.62 0.05 . 1 . . . . 122 ALA CA . 16503 2 457 . 1 1 122 122 ALA CB C 13 19.61 0.05 . 1 . . . . 122 ALA CB . 16503 2 458 . 1 1 122 122 ALA N N 15 125.0 0.08 . 1 . . . . 122 ALA N . 16503 2 459 . 1 1 123 123 SER H H 1 8.281 0.005 . 1 . . . . 123 SER H . 16503 2 460 . 1 1 123 123 SER CA C 13 58.50 0.05 . 1 . . . . 123 SER CA . 16503 2 461 . 1 1 123 123 SER CB C 13 63.98 0.05 . 1 . . . . 123 SER CB . 16503 2 462 . 1 1 123 123 SER N N 15 115.0 0.08 . 1 . . . . 123 SER N . 16503 2 463 . 1 1 124 124 VAL H H 1 8.066 0.005 . 1 . . . . 124 VAL H . 16503 2 464 . 1 1 124 124 VAL CA C 13 61.32 0.05 . 1 . . . . 124 VAL CA . 16503 2 465 . 1 1 124 124 VAL CB C 13 32.94 0.05 . 1 . . . . 124 VAL CB . 16503 2 466 . 1 1 124 124 VAL N N 15 119.4 0.08 . 1 . . . . 124 VAL N . 16503 2 stop_ save_