################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 26301 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'FdIII chemical shift' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 26301 1 2 '3D HNCACB' 1 $sample_1 isotropic 26301 1 3 '3D CBCA(CO)NH' 1 $sample_1 isotropic 26301 1 4 '3D HNCA' 1 $sample_1 isotropic 26301 1 5 '3D HN(CO)CA' 1 $sample_1 isotropic 26301 1 6 '3D HNCO' 1 $sample_1 isotropic 26301 1 7 '3D HN(CA)CO' 1 $sample_1 isotropic 26301 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 26301 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 ALA C C 13 172.145 0.100 . 1 . . . . . 1 ALA C . 26301 1 2 . 1 . 1 1 1 ALA CA C 13 51.741 0.300 . 1 . . . . . 1 ALA CA . 26301 1 3 . 1 . 1 1 1 ALA CB C 13 19.928 0.300 . 1 . . . . . 1 ALA CB . 26301 1 4 . 1 . 1 2 2 VAL H H 1 7.979 0.020 . 1 . . . . . 2 VAL H . 26301 1 5 . 1 . 1 2 2 VAL C C 13 174.298 0.100 . 1 . . . . . 2 VAL C . 26301 1 6 . 1 . 1 2 2 VAL CA C 13 61.441 0.300 . 1 . . . . . 2 VAL CA . 26301 1 7 . 1 . 1 2 2 VAL CB C 13 33.858 0.300 . 1 . . . . . 2 VAL CB . 26301 1 8 . 1 . 1 2 2 VAL N N 15 119.114 0.150 . 1 . . . . . 2 VAL N . 26301 1 9 . 1 . 1 3 3 TYR H H 1 8.373 0.020 . 1 . . . . . 3 TYR H . 26301 1 10 . 1 . 1 3 3 TYR C C 13 173.806 0.100 . 1 . . . . . 3 TYR C . 26301 1 11 . 1 . 1 3 3 TYR CA C 13 56.632 0.300 . 1 . . . . . 3 TYR CA . 26301 1 12 . 1 . 1 3 3 TYR CB C 13 41.583 0.300 . 1 . . . . . 3 TYR CB . 26301 1 13 . 1 . 1 3 3 TYR N N 15 126.942 0.150 . 1 . . . . . 3 TYR N . 26301 1 14 . 1 . 1 4 4 LYS H H 1 9.133 0.020 . 1 . . . . . 4 LYS H . 26301 1 15 . 1 . 1 4 4 LYS C C 13 176.286 0.100 . 1 . . . . . 4 LYS C . 26301 1 16 . 1 . 1 4 4 LYS CA C 13 54.769 0.300 . 1 . . . . . 4 LYS CA . 26301 1 17 . 1 . 1 4 4 LYS CB C 13 32.884 0.300 . 1 . . . . . 4 LYS CB . 26301 1 18 . 1 . 1 4 4 LYS N N 15 121.190 0.150 . 1 . . . . . 4 LYS N . 26301 1 19 . 1 . 1 5 5 VAL H H 1 8.534 0.020 . 1 . . . . . 5 VAL H . 26301 1 20 . 1 . 1 5 5 VAL C C 13 172.692 0.100 . 1 . . . . . 5 VAL C . 26301 1 21 . 1 . 1 5 5 VAL CA C 13 60.705 0.300 . 1 . . . . . 5 VAL CA . 26301 1 22 . 1 . 1 5 5 VAL N N 15 125.772 0.150 . 1 . . . . . 5 VAL N . 26301 1 23 . 1 . 1 6 6 LYS H H 1 8.489 0.020 . 1 . . . . . 6 LYS H . 26301 1 24 . 1 . 1 6 6 LYS C C 13 174.556 0.100 . 1 . . . . . 6 LYS C . 26301 1 25 . 1 . 1 6 6 LYS CA C 13 54.112 0.300 . 1 . . . . . 6 LYS CA . 26301 1 26 . 1 . 1 6 6 LYS CB C 13 34.973 0.300 . 1 . . . . . 6 LYS CB . 26301 1 27 . 1 . 1 6 6 LYS N N 15 126.787 0.150 . 1 . . . . . 6 LYS N . 26301 1 28 . 1 . 1 7 7 LEU H H 1 9.231 0.020 . 1 . . . . . 7 LEU H . 26301 1 29 . 1 . 1 7 7 LEU C C 13 176.571 0.100 . 1 . . . . . 7 LEU C . 26301 1 30 . 1 . 1 7 7 LEU CA C 13 52.098 0.300 . 1 . . . . . 7 LEU CA . 26301 1 31 . 1 . 1 7 7 LEU CB C 13 43.262 0.300 . 1 . . . . . 7 LEU CB . 26301 1 32 . 1 . 1 7 7 LEU N N 15 125.294 0.150 . 1 . . . . . 7 LEU N . 26301 1 33 . 1 . 1 8 8 VAL H H 1 8.685 0.020 . 1 . . . . . 8 VAL H . 26301 1 34 . 1 . 1 8 8 VAL C C 13 177.016 0.100 . 1 . . . . . 8 VAL C . 26301 1 35 . 1 . 1 8 8 VAL CA C 13 61.245 0.300 . 1 . . . . . 8 VAL CA . 26301 1 36 . 1 . 1 8 8 VAL CB C 13 33.035 0.300 . 1 . . . . . 8 VAL CB . 26301 1 37 . 1 . 1 8 8 VAL N N 15 123.645 0.150 . 1 . . . . . 8 VAL N . 26301 1 38 . 1 . 1 9 9 GLY H H 1 9.161 0.020 . 1 . . . . . 9 GLY H . 26301 1 39 . 1 . 1 9 9 GLY C C 13 174.337 0.100 . 1 . . . . . 9 GLY C . 26301 1 40 . 1 . 1 9 9 GLY CA C 13 44.931 0.300 . 1 . . . . . 9 GLY CA . 26301 1 41 . 1 . 1 9 9 GLY N N 15 115.774 0.150 . 1 . . . . . 9 GLY N . 26301 1 42 . 1 . 1 10 10 PRO C C 13 178.069 0.100 . 1 . . . . . 10 PRO C . 26301 1 43 . 1 . 1 10 10 PRO CA C 13 64.668 0.300 . 1 . . . . . 10 PRO CA . 26301 1 44 . 1 . 1 10 10 PRO CB C 13 32.087 0.300 . 1 . . . . . 10 PRO CB . 26301 1 45 . 1 . 1 11 11 GLU H H 1 8.813 0.020 . 1 . . . . . 11 GLU H . 26301 1 46 . 1 . 1 11 11 GLU C C 13 176.867 0.100 . 1 . . . . . 11 GLU C . 26301 1 47 . 1 . 1 11 11 GLU CA C 13 55.406 0.300 . 1 . . . . . 11 GLU CA . 26301 1 48 . 1 . 1 11 11 GLU CB C 13 28.924 0.300 . 1 . . . . . 11 GLU CB . 26301 1 49 . 1 . 1 11 11 GLU N N 15 117.769 0.150 . 1 . . . . . 11 GLU N . 26301 1 50 . 1 . 1 12 12 GLY H H 1 8.117 0.020 . 1 . . . . . 12 GLY H . 26301 1 51 . 1 . 1 12 12 GLY C C 13 174.214 0.100 . 1 . . . . . 12 GLY C . 26301 1 52 . 1 . 1 12 12 GLY CA C 13 45.313 0.300 . 1 . . . . . 12 GLY CA . 26301 1 53 . 1 . 1 12 12 GLY N N 15 108.332 0.150 . 1 . . . . . 12 GLY N . 26301 1 54 . 1 . 1 13 13 GLU H H 1 9.346 0.020 . 1 . . . . . 13 GLU H . 26301 1 55 . 1 . 1 13 13 GLU C C 13 175.571 0.100 . 1 . . . . . 13 GLU C . 26301 1 56 . 1 . 1 13 13 GLU CA C 13 56.737 0.300 . 1 . . . . . 13 GLU CA . 26301 1 57 . 1 . 1 13 13 GLU N N 15 123.947 0.150 . 1 . . . . . 13 GLU N . 26301 1 58 . 1 . 1 14 14 GLU H H 1 8.419 0.020 . 1 . . . . . 14 GLU H . 26301 1 59 . 1 . 1 14 14 GLU C C 13 176.141 0.100 . 1 . . . . . 14 GLU C . 26301 1 60 . 1 . 1 14 14 GLU CA C 13 54.664 0.300 . 1 . . . . . 14 GLU CA . 26301 1 61 . 1 . 1 14 14 GLU CB C 13 33.389 0.300 . 1 . . . . . 14 GLU CB . 26301 1 62 . 1 . 1 14 14 GLU N N 15 122.214 0.150 . 1 . . . . . 14 GLU N . 26301 1 63 . 1 . 1 15 15 HIS H H 1 8.692 0.020 . 1 . . . . . 15 HIS H . 26301 1 64 . 1 . 1 15 15 HIS C C 13 173.102 0.100 . 1 . . . . . 15 HIS C . 26301 1 65 . 1 . 1 15 15 HIS CA C 13 55.964 0.300 . 1 . . . . . 15 HIS CA . 26301 1 66 . 1 . 1 15 15 HIS N N 15 118.949 0.150 . 1 . . . . . 15 HIS N . 26301 1 67 . 1 . 1 16 16 GLU H H 1 8.989 0.020 . 1 . . . . . 16 GLU H . 26301 1 68 . 1 . 1 16 16 GLU C C 13 175.022 0.100 . 1 . . . . . 16 GLU C . 26301 1 69 . 1 . 1 16 16 GLU CA C 13 54.810 0.300 . 1 . . . . . 16 GLU CA . 26301 1 70 . 1 . 1 16 16 GLU N N 15 123.774 0.150 . 1 . . . . . 16 GLU N . 26301 1 71 . 1 . 1 17 17 PHE H H 1 8.279 0.020 . 1 . . . . . 17 PHE H . 26301 1 72 . 1 . 1 17 17 PHE C C 13 172.700 0.100 . 1 . . . . . 17 PHE C . 26301 1 73 . 1 . 1 17 17 PHE CA C 13 55.648 0.300 . 1 . . . . . 17 PHE CA . 26301 1 74 . 1 . 1 17 17 PHE CB C 13 40.847 0.300 . 1 . . . . . 17 PHE CB . 26301 1 75 . 1 . 1 17 17 PHE N N 15 120.685 0.150 . 1 . . . . . 17 PHE N . 26301 1 76 . 1 . 1 18 18 ASP H H 1 8.491 0.020 . 1 . . . . . 18 ASP H . 26301 1 77 . 1 . 1 18 18 ASP CA C 13 54.264 0.300 . 1 . . . . . 18 ASP CA . 26301 1 78 . 1 . 1 18 18 ASP CB C 13 41.594 0.300 . 1 . . . . . 18 ASP CB . 26301 1 79 . 1 . 1 18 18 ASP N N 15 119.761 0.150 . 1 . . . . . 18 ASP N . 26301 1 80 . 1 . 1 19 19 ALA H H 1 9.622 0.020 . 1 . . . . . 19 ALA H . 26301 1 81 . 1 . 1 19 19 ALA C C 13 173.542 0.100 . 1 . . . . . 19 ALA C . 26301 1 82 . 1 . 1 19 19 ALA CA C 13 48.765 0.300 . 1 . . . . . 19 ALA CA . 26301 1 83 . 1 . 1 19 19 ALA CB C 13 22.293 0.300 . 1 . . . . . 19 ALA CB . 26301 1 84 . 1 . 1 19 19 ALA N N 15 128.051 0.150 . 1 . . . . . 19 ALA N . 26301 1 85 . 1 . 1 20 20 PRO C C 13 177.320 0.100 . 1 . . . . . 20 PRO C . 26301 1 86 . 1 . 1 20 20 PRO CA C 13 62.548 0.300 . 1 . . . . . 20 PRO CA . 26301 1 87 . 1 . 1 21 21 ASP H H 1 8.325 0.020 . 1 . . . . . 21 ASP H . 26301 1 88 . 1 . 1 21 21 ASP CA C 13 55.102 0.300 . 1 . . . . . 21 ASP CA . 26301 1 89 . 1 . 1 21 21 ASP N N 15 118.380 0.150 . 1 . . . . . 21 ASP N . 26301 1 90 . 1 . 1 22 22 ASP H H 1 7.986 0.020 . 1 . . . . . 22 ASP H . 26301 1 91 . 1 . 1 22 22 ASP C C 13 175.203 0.100 . 1 . . . . . 22 ASP C . 26301 1 92 . 1 . 1 22 22 ASP CA C 13 52.079 0.300 . 1 . . . . . 22 ASP CA . 26301 1 93 . 1 . 1 22 22 ASP CB C 13 39.460 0.300 . 1 . . . . . 22 ASP CB . 26301 1 94 . 1 . 1 22 22 ASP N N 15 116.335 0.150 . 1 . . . . . 22 ASP N . 26301 1 95 . 1 . 1 23 23 ALA H H 1 7.825 0.020 . 1 . . . . . 23 ALA H . 26301 1 96 . 1 . 1 23 23 ALA C C 13 176.079 0.100 . 1 . . . . . 23 ALA C . 26301 1 97 . 1 . 1 23 23 ALA CA C 13 50.234 0.300 . 1 . . . . . 23 ALA CA . 26301 1 98 . 1 . 1 23 23 ALA CB C 13 22.184 0.300 . 1 . . . . . 23 ALA CB . 26301 1 99 . 1 . 1 23 23 ALA N N 15 122.630 0.150 . 1 . . . . . 23 ALA N . 26301 1 100 . 1 . 1 24 24 TYR H H 1 8.699 0.020 . 1 . . . . . 24 TYR H . 26301 1 101 . 1 . 1 24 24 TYR C C 13 179.697 0.100 . 1 . . . . . 24 TYR C . 26301 1 102 . 1 . 1 24 24 TYR CA C 13 54.944 0.300 . 1 . . . . . 24 TYR CA . 26301 1 103 . 1 . 1 24 24 TYR CB C 13 38.097 0.300 . 1 . . . . . 24 TYR CB . 26301 1 104 . 1 . 1 24 24 TYR N N 15 120.818 0.150 . 1 . . . . . 24 TYR N . 26301 1 105 . 1 . 1 25 25 ILE H H 1 9.288 0.020 . 1 . . . . . 25 ILE H . 26301 1 106 . 1 . 1 25 25 ILE C C 13 176.942 0.100 . 1 . . . . . 25 ILE C . 26301 1 107 . 1 . 1 25 25 ILE CA C 13 65.681 0.300 . 1 . . . . . 25 ILE CA . 26301 1 108 . 1 . 1 25 25 ILE N N 15 121.127 0.150 . 1 . . . . . 25 ILE N . 26301 1 109 . 1 . 1 26 26 LEU H H 1 7.382 0.020 . 1 . . . . . 26 LEU H . 26301 1 110 . 1 . 1 26 26 LEU C C 13 176.510 0.100 . 1 . . . . . 26 LEU C . 26301 1 111 . 1 . 1 26 26 LEU CA C 13 58.910 0.300 . 1 . . . . . 26 LEU CA . 26301 1 112 . 1 . 1 26 26 LEU CB C 13 43.120 0.300 . 1 . . . . . 26 LEU CB . 26301 1 113 . 1 . 1 26 26 LEU N N 15 116.245 0.150 . 1 . . . . . 26 LEU N . 26301 1 114 . 1 . 1 27 27 ASP H H 1 6.672 0.020 . 1 . . . . . 27 ASP H . 26301 1 115 . 1 . 1 27 27 ASP C C 13 178.502 0.100 . 1 . . . . . 27 ASP C . 26301 1 116 . 1 . 1 27 27 ASP CA C 13 57.628 0.300 . 1 . . . . . 27 ASP CA . 26301 1 117 . 1 . 1 27 27 ASP CB C 13 40.577 0.300 . 1 . . . . . 27 ASP CB . 26301 1 118 . 1 . 1 27 27 ASP N N 15 116.284 0.150 . 1 . . . . . 27 ASP N . 26301 1 119 . 1 . 1 28 28 ALA H H 1 8.335 0.020 . 1 . . . . . 28 ALA H . 26301 1 120 . 1 . 1 28 28 ALA C C 13 180.120 0.100 . 1 . . . . . 28 ALA C . 26301 1 121 . 1 . 1 28 28 ALA CA C 13 55.219 0.300 . 1 . . . . . 28 ALA CA . 26301 1 122 . 1 . 1 28 28 ALA CB C 13 18.638 0.300 . 1 . . . . . 28 ALA CB . 26301 1 123 . 1 . 1 28 28 ALA N N 15 123.590 0.150 . 1 . . . . . 28 ALA N . 26301 1 124 . 1 . 1 29 29 ALA C C 13 179.276 0.100 . 1 . . . . . 29 ALA C . 26301 1 125 . 1 . 1 29 29 ALA CA C 13 54.414 0.300 . 1 . . . . . 29 ALA CA . 26301 1 126 . 1 . 1 29 29 ALA CB C 13 18.315 0.300 . 1 . . . . . 29 ALA CB . 26301 1 127 . 1 . 1 30 30 GLU H H 1 8.125 0.020 . 1 . . . . . 30 GLU H . 26301 1 128 . 1 . 1 30 30 GLU C C 13 182.207 0.100 . 1 . . . . . 30 GLU C . 26301 1 129 . 1 . 1 30 30 GLU CA C 13 59.579 0.300 . 1 . . . . . 30 GLU CA . 26301 1 130 . 1 . 1 30 30 GLU CB C 13 29.205 0.300 . 1 . . . . . 30 GLU CB . 26301 1 131 . 1 . 1 30 30 GLU N N 15 119.137 0.150 . 1 . . . . . 30 GLU N . 26301 1 132 . 1 . 1 31 31 THR H H 1 8.305 0.020 . 1 . . . . . 31 THR H . 26301 1 133 . 1 . 1 31 31 THR C C 13 174.921 0.100 . 1 . . . . . 31 THR C . 26301 1 134 . 1 . 1 31 31 THR CA C 13 66.649 0.300 . 1 . . . . . 31 THR CA . 26301 1 135 . 1 . 1 31 31 THR CB C 13 68.666 0.300 . 1 . . . . . 31 THR CB . 26301 1 136 . 1 . 1 31 31 THR N N 15 119.425 0.150 . 1 . . . . . 31 THR N . 26301 1 137 . 1 . 1 32 32 ALA H H 1 7.216 0.020 . 1 . . . . . 32 ALA H . 26301 1 138 . 1 . 1 32 32 ALA C C 13 176.859 0.100 . 1 . . . . . 32 ALA C . 26301 1 139 . 1 . 1 32 32 ALA CA C 13 52.194 0.300 . 1 . . . . . 32 ALA CA . 26301 1 140 . 1 . 1 32 32 ALA CB C 13 18.844 0.300 . 1 . . . . . 32 ALA CB . 26301 1 141 . 1 . 1 32 32 ALA N N 15 122.494 0.150 . 1 . . . . . 32 ALA N . 26301 1 142 . 1 . 1 33 33 GLY H H 1 7.768 0.020 . 1 . . . . . 33 GLY H . 26301 1 143 . 1 . 1 33 33 GLY C C 13 173.923 0.100 . 1 . . . . . 33 GLY C . 26301 1 144 . 1 . 1 33 33 GLY CA C 13 45.623 0.300 . 1 . . . . . 33 GLY CA . 26301 1 145 . 1 . 1 33 33 GLY N N 15 107.345 0.150 . 1 . . . . . 33 GLY N . 26301 1 146 . 1 . 1 34 34 VAL H H 1 8.102 0.020 . 1 . . . . . 34 VAL H . 26301 1 147 . 1 . 1 34 34 VAL C C 13 174.201 0.100 . 1 . . . . . 34 VAL C . 26301 1 148 . 1 . 1 34 34 VAL CA C 13 61.690 0.300 . 1 . . . . . 34 VAL CA . 26301 1 149 . 1 . 1 34 34 VAL CB C 13 32.031 0.300 . 1 . . . . . 34 VAL CB . 26301 1 150 . 1 . 1 34 34 VAL N N 15 123.471 0.150 . 1 . . . . . 34 VAL N . 26301 1 151 . 1 . 1 35 35 GLU H H 1 8.244 0.020 . 1 . . . . . 35 GLU H . 26301 1 152 . 1 . 1 35 35 GLU C C 13 175.515 0.100 . 1 . . . . . 35 GLU C . 26301 1 153 . 1 . 1 35 35 GLU CA C 13 55.912 0.300 . 1 . . . . . 35 GLU CA . 26301 1 154 . 1 . 1 35 35 GLU CB C 13 30.441 0.300 . 1 . . . . . 35 GLU CB . 26301 1 155 . 1 . 1 35 35 GLU N N 15 126.397 0.150 . 1 . . . . . 35 GLU N . 26301 1 156 . 1 . 1 36 36 LEU H H 1 8.177 0.020 . 1 . . . . . 36 LEU H . 26301 1 157 . 1 . 1 36 36 LEU C C 13 174.756 0.100 . 1 . . . . . 36 LEU C . 26301 1 158 . 1 . 1 36 36 LEU CA C 13 51.567 0.300 . 1 . . . . . 36 LEU CA . 26301 1 159 . 1 . 1 36 36 LEU CB C 13 43.987 0.300 . 1 . . . . . 36 LEU CB . 26301 1 160 . 1 . 1 36 36 LEU N N 15 126.448 0.150 . 1 . . . . . 36 LEU N . 26301 1 161 . 1 . 1 49 49 ALA C C 13 178.465 0.100 . 1 . . . . . 49 ALA C . 26301 1 162 . 1 . 1 49 49 ALA CA C 13 53.480 0.300 . 1 . . . . . 49 ALA CA . 26301 1 163 . 1 . 1 49 49 ALA CB C 13 18.887 0.300 . 1 . . . . . 49 ALA CB . 26301 1 164 . 1 . 1 50 50 GLY H H 1 9.567 0.020 . 1 . . . . . 50 GLY H . 26301 1 165 . 1 . 1 50 50 GLY C C 13 171.410 0.100 . 1 . . . . . 50 GLY C . 26301 1 166 . 1 . 1 50 50 GLY CA C 13 44.017 0.300 . 1 . . . . . 50 GLY CA . 26301 1 167 . 1 . 1 50 50 GLY N N 15 111.766 0.150 . 1 . . . . . 50 GLY N . 26301 1 168 . 1 . 1 51 51 LYS H H 1 9.504 0.020 . 1 . . . . . 51 LYS H . 26301 1 169 . 1 . 1 51 51 LYS C C 13 175.432 0.100 . 1 . . . . . 51 LYS C . 26301 1 170 . 1 . 1 51 51 LYS CA C 13 55.332 0.300 . 1 . . . . . 51 LYS CA . 26301 1 171 . 1 . 1 51 51 LYS CB C 13 37.862 0.300 . 1 . . . . . 51 LYS CB . 26301 1 172 . 1 . 1 51 51 LYS N N 15 121.927 0.150 . 1 . . . . . 51 LYS N . 26301 1 173 . 1 . 1 52 52 ILE H H 1 9.581 0.020 . 1 . . . . . 52 ILE H . 26301 1 174 . 1 . 1 52 52 ILE C C 13 174.931 0.100 . 1 . . . . . 52 ILE C . 26301 1 175 . 1 . 1 52 52 ILE CA C 13 62.435 0.300 . 1 . . . . . 52 ILE CA . 26301 1 176 . 1 . 1 52 52 ILE CB C 13 40.495 0.300 . 1 . . . . . 52 ILE CB . 26301 1 177 . 1 . 1 52 52 ILE N N 15 130.124 0.150 . 1 . . . . . 52 ILE N . 26301 1 178 . 1 . 1 53 53 GLU H H 1 9.081 0.020 . 1 . . . . . 53 GLU H . 26301 1 179 . 1 . 1 53 53 GLU C C 13 175.747 0.100 . 1 . . . . . 53 GLU C . 26301 1 180 . 1 . 1 53 53 GLU CA C 13 57.021 0.300 . 1 . . . . . 53 GLU CA . 26301 1 181 . 1 . 1 53 53 GLU CB C 13 31.466 0.300 . 1 . . . . . 53 GLU CB . 26301 1 182 . 1 . 1 53 53 GLU N N 15 129.836 0.150 . 1 . . . . . 53 GLU N . 26301 1 183 . 1 . 1 54 54 SER H H 1 7.725 0.020 . 1 . . . . . 54 SER H . 26301 1 184 . 1 . 1 54 54 SER C C 13 172.978 0.100 . 1 . . . . . 54 SER C . 26301 1 185 . 1 . 1 54 54 SER CA C 13 57.599 0.300 . 1 . . . . . 54 SER CA . 26301 1 186 . 1 . 1 54 54 SER CB C 13 64.895 0.300 . 1 . . . . . 54 SER CB . 26301 1 187 . 1 . 1 54 54 SER N N 15 111.673 0.150 . 1 . . . . . 54 SER N . 26301 1 188 . 1 . 1 55 55 GLY H H 1 8.533 0.020 . 1 . . . . . 55 GLY H . 26301 1 189 . 1 . 1 55 55 GLY C C 13 172.254 0.100 . 1 . . . . . 55 GLY C . 26301 1 190 . 1 . 1 55 55 GLY CA C 13 44.176 0.300 . 1 . . . . . 55 GLY CA . 26301 1 191 . 1 . 1 55 55 GLY N N 15 110.858 0.150 . 1 . . . . . 55 GLY N . 26301 1 192 . 1 . 1 56 56 SER H H 1 7.315 0.020 . 1 . . . . . 56 SER H . 26301 1 193 . 1 . 1 56 56 SER CA C 13 56.959 0.300 . 1 . . . . . 56 SER CA . 26301 1 194 . 1 . 1 56 56 SER CB C 13 65.932 0.300 . 1 . . . . . 56 SER CB . 26301 1 195 . 1 . 1 56 56 SER N N 15 111.636 0.150 . 1 . . . . . 56 SER N . 26301 1 196 . 1 . 1 57 57 VAL H H 1 8.546 0.020 . 1 . . . . . 57 VAL H . 26301 1 197 . 1 . 1 57 57 VAL C C 13 175.026 0.100 . 1 . . . . . 57 VAL C . 26301 1 198 . 1 . 1 57 57 VAL CA C 13 58.433 0.300 . 1 . . . . . 57 VAL CA . 26301 1 199 . 1 . 1 57 57 VAL CB C 13 36.207 0.300 . 1 . . . . . 57 VAL CB . 26301 1 200 . 1 . 1 57 57 VAL N N 15 113.485 0.150 . 1 . . . . . 57 VAL N . 26301 1 201 . 1 . 1 58 58 ASP H H 1 9.191 0.020 . 1 . . . . . 58 ASP H . 26301 1 202 . 1 . 1 58 58 ASP C C 13 176.254 0.100 . 1 . . . . . 58 ASP C . 26301 1 203 . 1 . 1 58 58 ASP CA C 13 53.081 0.300 . 1 . . . . . 58 ASP CA . 26301 1 204 . 1 . 1 58 58 ASP CB C 13 43.013 0.300 . 1 . . . . . 58 ASP CB . 26301 1 205 . 1 . 1 58 58 ASP N N 15 119.952 0.150 . 1 . . . . . 58 ASP N . 26301 1 206 . 1 . 1 59 59 GLN H H 1 9.598 0.020 . 1 . . . . . 59 GLN H . 26301 1 207 . 1 . 1 59 59 GLN C C 13 177.505 0.100 . 1 . . . . . 59 GLN C . 26301 1 208 . 1 . 1 59 59 GLN CA C 13 53.298 0.300 . 1 . . . . . 59 GLN CA . 26301 1 209 . 1 . 1 59 59 GLN CB C 13 28.358 0.300 . 1 . . . . . 59 GLN CB . 26301 1 210 . 1 . 1 59 59 GLN N N 15 125.370 0.150 . 1 . . . . . 59 GLN N . 26301 1 211 . 1 . 1 60 60 SER H H 1 8.694 0.020 . 1 . . . . . 60 SER H . 26301 1 212 . 1 . 1 60 60 SER CA C 13 61.952 0.300 . 1 . . . . . 60 SER CA . 26301 1 213 . 1 . 1 60 60 SER CB C 13 63.251 0.300 . 1 . . . . . 60 SER CB . 26301 1 214 . 1 . 1 60 60 SER N N 15 121.318 0.150 . 1 . . . . . 60 SER N . 26301 1 215 . 1 . 1 61 61 ASP H H 1 9.244 0.020 . 1 . . . . . 61 ASP H . 26301 1 216 . 1 . 1 61 61 ASP C C 13 177.643 0.100 . 1 . . . . . 61 ASP C . 26301 1 217 . 1 . 1 61 61 ASP CA C 13 55.986 0.300 . 1 . . . . . 61 ASP CA . 26301 1 218 . 1 . 1 61 61 ASP CB C 13 40.406 0.300 . 1 . . . . . 61 ASP CB . 26301 1 219 . 1 . 1 61 61 ASP N N 15 120.613 0.150 . 1 . . . . . 61 ASP N . 26301 1 220 . 1 . 1 62 62 GLY H H 1 8.199 0.020 . 1 . . . . . 62 GLY H . 26301 1 221 . 1 . 1 62 62 GLY C C 13 172.785 0.100 . 1 . . . . . 62 GLY C . 26301 1 222 . 1 . 1 62 62 GLY CA C 13 45.621 0.300 . 1 . . . . . 62 GLY CA . 26301 1 223 . 1 . 1 62 62 GLY N N 15 106.565 0.150 . 1 . . . . . 62 GLY N . 26301 1 224 . 1 . 1 63 63 SER H H 1 8.798 0.020 . 1 . . . . . 63 SER H . 26301 1 225 . 1 . 1 63 63 SER C C 13 174.720 0.100 . 1 . . . . . 63 SER C . 26301 1 226 . 1 . 1 63 63 SER CA C 13 57.893 0.300 . 1 . . . . . 63 SER CA . 26301 1 227 . 1 . 1 63 63 SER CB C 13 65.750 0.300 . 1 . . . . . 63 SER CB . 26301 1 228 . 1 . 1 63 63 SER N N 15 112.778 0.150 . 1 . . . . . 63 SER N . 26301 1 229 . 1 . 1 64 64 PHE H H 1 7.615 0.020 . 1 . . . . . 64 PHE H . 26301 1 230 . 1 . 1 64 64 PHE N N 15 123.108 0.150 . 1 . . . . . 64 PHE N . 26301 1 231 . 1 . 1 65 65 LEU H H 1 8.792 0.020 . 1 . . . . . 65 LEU H . 26301 1 232 . 1 . 1 65 65 LEU C C 13 177.824 0.100 . 1 . . . . . 65 LEU C . 26301 1 233 . 1 . 1 65 65 LEU CA C 13 53.793 0.300 . 1 . . . . . 65 LEU CA . 26301 1 234 . 1 . 1 65 65 LEU N N 15 116.414 0.150 . 1 . . . . . 65 LEU N . 26301 1 235 . 1 . 1 66 66 ASP C C 13 176.619 0.100 . 1 . . . . . 66 ASP C . 26301 1 236 . 1 . 1 66 66 ASP CA C 13 52.442 0.300 . 1 . . . . . 66 ASP CA . 26301 1 237 . 1 . 1 67 67 ASP H H 1 8.459 0.020 . 1 . . . . . 67 ASP H . 26301 1 238 . 1 . 1 67 67 ASP C C 13 179.023 0.100 . 1 . . . . . 67 ASP C . 26301 1 239 . 1 . 1 67 67 ASP CA C 13 58.045 0.300 . 1 . . . . . 67 ASP CA . 26301 1 240 . 1 . 1 67 67 ASP CB C 13 40.612 0.300 . 1 . . . . . 67 ASP CB . 26301 1 241 . 1 . 1 67 67 ASP N N 15 118.251 0.150 . 1 . . . . . 67 ASP N . 26301 1 242 . 1 . 1 68 68 GLY H H 1 8.456 0.020 . 1 . . . . . 68 GLY H . 26301 1 243 . 1 . 1 68 68 GLY C C 13 176.899 0.100 . 1 . . . . . 68 GLY C . 26301 1 244 . 1 . 1 68 68 GLY CA C 13 47.227 0.300 . 1 . . . . . 68 GLY CA . 26301 1 245 . 1 . 1 68 68 GLY N N 15 109.419 0.150 . 1 . . . . . 68 GLY N . 26301 1 246 . 1 . 1 69 69 GLN H H 1 8.464 0.020 . 1 . . . . . 69 GLN H . 26301 1 247 . 1 . 1 69 69 GLN C C 13 179.706 0.100 . 1 . . . . . 69 GLN C . 26301 1 248 . 1 . 1 69 69 GLN CA C 13 58.729 0.300 . 1 . . . . . 69 GLN CA . 26301 1 249 . 1 . 1 69 69 GLN N N 15 122.196 0.150 . 1 . . . . . 69 GLN N . 26301 1 250 . 1 . 1 70 70 GLN H H 1 8.191 0.020 . 1 . . . . . 70 GLN H . 26301 1 251 . 1 . 1 70 70 GLN C C 13 180.892 0.100 . 1 . . . . . 70 GLN C . 26301 1 252 . 1 . 1 70 70 GLN CA C 13 59.635 0.300 . 1 . . . . . 70 GLN CA . 26301 1 253 . 1 . 1 70 70 GLN CB C 13 28.268 0.300 . 1 . . . . . 70 GLN CB . 26301 1 254 . 1 . 1 70 70 GLN N N 15 117.819 0.150 . 1 . . . . . 70 GLN N . 26301 1 255 . 1 . 1 71 71 GLU H H 1 8.561 0.020 . 1 . . . . . 71 GLU H . 26301 1 256 . 1 . 1 71 71 GLU C C 13 178.387 0.100 . 1 . . . . . 71 GLU C . 26301 1 257 . 1 . 1 71 71 GLU CA C 13 59.485 0.300 . 1 . . . . . 71 GLU CA . 26301 1 258 . 1 . 1 71 71 GLU CB C 13 29.246 0.300 . 1 . . . . . 71 GLU CB . 26301 1 259 . 1 . 1 71 71 GLU N N 15 123.312 0.150 . 1 . . . . . 71 GLU N . 26301 1 260 . 1 . 1 72 72 GLU H H 1 7.684 0.020 . 1 . . . . . 72 GLU H . 26301 1 261 . 1 . 1 72 72 GLU C C 13 175.957 0.100 . 1 . . . . . 72 GLU C . 26301 1 262 . 1 . 1 72 72 GLU CA C 13 57.219 0.300 . 1 . . . . . 72 GLU CA . 26301 1 263 . 1 . 1 72 72 GLU CB C 13 30.591 0.300 . 1 . . . . . 72 GLU CB . 26301 1 264 . 1 . 1 72 72 GLU N N 15 117.248 0.150 . 1 . . . . . 72 GLU N . 26301 1 265 . 1 . 1 73 73 GLY H H 1 7.603 0.020 . 1 . . . . . 73 GLY H . 26301 1 266 . 1 . 1 73 73 GLY C C 13 174.535 0.100 . 1 . . . . . 73 GLY C . 26301 1 267 . 1 . 1 73 73 GLY CA C 13 44.700 0.300 . 1 . . . . . 73 GLY CA . 26301 1 268 . 1 . 1 73 73 GLY N N 15 103.475 0.150 . 1 . . . . . 73 GLY N . 26301 1 269 . 1 . 1 74 74 TYR H H 1 7.913 0.020 . 1 . . . . . 74 TYR H . 26301 1 270 . 1 . 1 74 74 TYR C C 13 176.114 0.100 . 1 . . . . . 74 TYR C . 26301 1 271 . 1 . 1 74 74 TYR CA C 13 60.761 0.300 . 1 . . . . . 74 TYR CA . 26301 1 272 . 1 . 1 74 74 TYR CB C 13 38.637 0.300 . 1 . . . . . 74 TYR CB . 26301 1 273 . 1 . 1 74 74 TYR N N 15 119.426 0.150 . 1 . . . . . 74 TYR N . 26301 1 274 . 1 . 1 75 75 VAL H H 1 8.642 0.020 . 1 . . . . . 75 VAL H . 26301 1 275 . 1 . 1 75 75 VAL C C 13 174.524 0.100 . 1 . . . . . 75 VAL C . 26301 1 276 . 1 . 1 75 75 VAL CA C 13 57.774 0.300 . 1 . . . . . 75 VAL CA . 26301 1 277 . 1 . 1 75 75 VAL CB C 13 34.721 0.300 . 1 . . . . . 75 VAL CB . 26301 1 278 . 1 . 1 75 75 VAL N N 15 113.796 0.150 . 1 . . . . . 75 VAL N . 26301 1 279 . 1 . 1 79 79 VAL C C 13 174.501 0.100 . 1 . . . . . 79 VAL C . 26301 1 280 . 1 . 1 79 79 VAL CA C 13 60.061 0.300 . 1 . . . . . 79 VAL CA . 26301 1 281 . 1 . 1 80 80 SER H H 1 6.415 0.020 . 1 . . . . . 80 SER H . 26301 1 282 . 1 . 1 80 80 SER CA C 13 58.343 0.300 . 1 . . . . . 80 SER CA . 26301 1 283 . 1 . 1 80 80 SER CB C 13 66.122 0.300 . 1 . . . . . 80 SER CB . 26301 1 284 . 1 . 1 80 80 SER N N 15 114.041 0.150 . 1 . . . . . 80 SER N . 26301 1 285 . 1 . 1 81 81 TYR H H 1 9.402 0.020 . 1 . . . . . 81 TYR H . 26301 1 286 . 1 . 1 81 81 TYR C C 13 174.933 0.100 . 1 . . . . . 81 TYR C . 26301 1 287 . 1 . 1 81 81 TYR CA C 13 55.047 0.300 . 1 . . . . . 81 TYR CA . 26301 1 288 . 1 . 1 81 81 TYR CB C 13 39.742 0.300 . 1 . . . . . 81 TYR CB . 26301 1 289 . 1 . 1 81 81 TYR N N 15 125.957 0.150 . 1 . . . . . 81 TYR N . 26301 1 290 . 1 . 1 82 82 PRO C C 13 175.926 0.100 . 1 . . . . . 82 PRO C . 26301 1 291 . 1 . 1 82 82 PRO CA C 13 63.771 0.300 . 1 . . . . . 82 PRO CA . 26301 1 292 . 1 . 1 83 83 LYS H H 1 8.312 0.020 . 1 . . . . . 83 LYS H . 26301 1 293 . 1 . 1 83 83 LYS CA C 13 54.315 0.300 . 1 . . . . . 83 LYS CA . 26301 1 294 . 1 . 1 83 83 LYS N N 15 118.535 0.150 . 1 . . . . . 83 LYS N . 26301 1 295 . 1 . 1 84 84 SER H H 1 7.559 0.020 . 1 . . . . . 84 SER H . 26301 1 296 . 1 . 1 84 84 SER C C 13 172.161 0.100 . 1 . . . . . 84 SER C . 26301 1 297 . 1 . 1 84 84 SER CA C 13 56.642 0.300 . 1 . . . . . 84 SER CA . 26301 1 298 . 1 . 1 84 84 SER CB C 13 66.155 0.300 . 1 . . . . . 84 SER CB . 26301 1 299 . 1 . 1 84 84 SER N N 15 113.780 0.150 . 1 . . . . . 84 SER N . 26301 1 300 . 1 . 1 85 85 ASP H H 1 8.543 0.020 . 1 . . . . . 85 ASP H . 26301 1 301 . 1 . 1 85 85 ASP CA C 13 56.434 0.300 . 1 . . . . . 85 ASP CA . 26301 1 302 . 1 . 1 85 85 ASP N N 15 119.715 0.150 . 1 . . . . . 85 ASP N . 26301 1 303 . 1 . 1 86 86 CYS H H 1 8.666 0.020 . 1 . . . . . 86 CYS H . 26301 1 304 . 1 . 1 86 86 CYS C C 13 173.652 0.100 . 1 . . . . . 86 CYS C . 26301 1 305 . 1 . 1 86 86 CYS CA C 13 58.119 0.300 . 1 . . . . . 86 CYS CA . 26301 1 306 . 1 . 1 86 86 CYS CB C 13 33.406 0.300 . 1 . . . . . 86 CYS CB . 26301 1 307 . 1 . 1 86 86 CYS N N 15 119.663 0.150 . 1 . . . . . 86 CYS N . 26301 1 308 . 1 . 1 87 87 VAL H H 1 8.621 0.020 . 1 . . . . . 87 VAL H . 26301 1 309 . 1 . 1 87 87 VAL CA C 13 62.136 0.300 . 1 . . . . . 87 VAL CA . 26301 1 310 . 1 . 1 87 87 VAL N N 15 122.929 0.150 . 1 . . . . . 87 VAL N . 26301 1 311 . 1 . 1 88 88 ILE H H 1 9.285 0.020 . 1 . . . . . 88 ILE H . 26301 1 312 . 1 . 1 88 88 ILE C C 13 173.986 0.100 . 1 . . . . . 88 ILE C . 26301 1 313 . 1 . 1 88 88 ILE CA C 13 59.807 0.300 . 1 . . . . . 88 ILE CA . 26301 1 314 . 1 . 1 88 88 ILE CB C 13 42.624 0.300 . 1 . . . . . 88 ILE CB . 26301 1 315 . 1 . 1 88 88 ILE N N 15 127.335 0.150 . 1 . . . . . 88 ILE N . 26301 1 316 . 1 . 1 89 89 HIS H H 1 9.461 0.020 . 1 . . . . . 89 HIS H . 26301 1 317 . 1 . 1 89 89 HIS C C 13 176.297 0.100 . 1 . . . . . 89 HIS C . 26301 1 318 . 1 . 1 89 89 HIS CA C 13 54.907 0.300 . 1 . . . . . 89 HIS CA . 26301 1 319 . 1 . 1 89 89 HIS CB C 13 31.724 0.300 . 1 . . . . . 89 HIS CB . 26301 1 320 . 1 . 1 89 89 HIS N N 15 128.506 0.150 . 1 . . . . . 89 HIS N . 26301 1 321 . 1 . 1 90 90 THR H H 1 8.584 0.020 . 1 . . . . . 90 THR H . 26301 1 322 . 1 . 1 90 90 THR C C 13 174.537 0.100 . 1 . . . . . 90 THR C . 26301 1 323 . 1 . 1 90 90 THR CA C 13 62.023 0.300 . 1 . . . . . 90 THR CA . 26301 1 324 . 1 . 1 90 90 THR CB C 13 69.108 0.300 . 1 . . . . . 90 THR CB . 26301 1 325 . 1 . 1 90 90 THR N N 15 115.002 0.150 . 1 . . . . . 90 THR N . 26301 1 326 . 1 . 1 91 91 HIS H H 1 9.073 0.020 . 1 . . . . . 91 HIS H . 26301 1 327 . 1 . 1 91 91 HIS C C 13 177.906 0.100 . 1 . . . . . 91 HIS C . 26301 1 328 . 1 . 1 91 91 HIS CA C 13 58.711 0.300 . 1 . . . . . 91 HIS CA . 26301 1 329 . 1 . 1 91 91 HIS CB C 13 26.222 0.300 . 1 . . . . . 91 HIS CB . 26301 1 330 . 1 . 1 91 91 HIS N N 15 112.778 0.150 . 1 . . . . . 91 HIS N . 26301 1 331 . 1 . 1 92 92 LYS H H 1 7.420 0.020 . 1 . . . . . 92 LYS H . 26301 1 332 . 1 . 1 92 92 LYS C C 13 176.283 0.100 . 1 . . . . . 92 LYS C . 26301 1 333 . 1 . 1 92 92 LYS CA C 13 53.637 0.300 . 1 . . . . . 92 LYS CA . 26301 1 334 . 1 . 1 92 92 LYS CB C 13 31.644 0.300 . 1 . . . . . 92 LYS CB . 26301 1 335 . 1 . 1 92 92 LYS N N 15 113.852 0.150 . 1 . . . . . 92 LYS N . 26301 1 336 . 1 . 1 93 93 GLU H H 1 8.421 0.020 . 1 . . . . . 93 GLU H . 26301 1 337 . 1 . 1 93 93 GLU C C 13 177.531 0.100 . 1 . . . . . 93 GLU C . 26301 1 338 . 1 . 1 93 93 GLU CA C 13 60.739 0.300 . 1 . . . . . 93 GLU CA . 26301 1 339 . 1 . 1 93 93 GLU CB C 13 29.319 0.300 . 1 . . . . . 93 GLU CB . 26301 1 340 . 1 . 1 93 93 GLU N N 15 121.818 0.150 . 1 . . . . . 93 GLU N . 26301 1 341 . 1 . 1 94 94 GLY H H 1 8.830 0.020 . 1 . . . . . 94 GLY H . 26301 1 342 . 1 . 1 94 94 GLY C C 13 175.483 0.100 . 1 . . . . . 94 GLY C . 26301 1 343 . 1 . 1 94 94 GLY CA C 13 46.316 0.300 . 1 . . . . . 94 GLY CA . 26301 1 344 . 1 . 1 94 94 GLY N N 15 103.123 0.150 . 1 . . . . . 94 GLY N . 26301 1 345 . 1 . 1 95 95 ASP H H 1 7.790 0.020 . 1 . . . . . 95 ASP H . 26301 1 346 . 1 . 1 95 95 ASP CA C 13 55.419 0.300 . 1 . . . . . 95 ASP CA . 26301 1 347 . 1 . 1 95 95 ASP CB C 13 40.260 0.300 . 1 . . . . . 95 ASP CB . 26301 1 348 . 1 . 1 95 95 ASP N N 15 119.712 0.150 . 1 . . . . . 95 ASP N . 26301 1 349 . 1 . 1 96 96 LEU H H 1 7.580 0.020 . 1 . . . . . 96 LEU H . 26301 1 350 . 1 . 1 96 96 LEU C C 13 175.585 0.100 . 1 . . . . . 96 LEU C . 26301 1 351 . 1 . 1 96 96 LEU CA C 13 54.999 0.300 . 1 . . . . . 96 LEU CA . 26301 1 352 . 1 . 1 96 96 LEU CB C 13 41.588 0.300 . 1 . . . . . 96 LEU CB . 26301 1 353 . 1 . 1 96 96 LEU N N 15 117.907 0.150 . 1 . . . . . 96 LEU N . 26301 1 354 . 1 . 1 97 97 TYR H H 1 7.068 0.020 . 1 . . . . . 97 TYR H . 26301 1 355 . 1 . 1 97 97 TYR C C 13 180.380 0.100 . 1 . . . . . 97 TYR C . 26301 1 356 . 1 . 1 97 97 TYR CA C 13 59.242 0.300 . 1 . . . . . 97 TYR CA . 26301 1 357 . 1 . 1 97 97 TYR CB C 13 40.315 0.300 . 1 . . . . . 97 TYR CB . 26301 1 358 . 1 . 1 97 97 TYR N N 15 123.371 0.150 . 1 . . . . . 97 TYR N . 26301 1 stop_ save_