################################### # 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 50328 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'BBP28(23-148) reduced' _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 3 '3D 1H-15N NOESY' . . . 50328 1 4 '3D HNCO' . . . 50328 1 5 '3D HNCA' . . . 50328 1 6 '3D HN(CO)CA' . . . 50328 1 7 '3D HNCACB' . . . 50328 1 8 '3D CBCA(CO)NH' . . . 50328 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 . . 50328 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 3 3 MET H H 1 8.541 0.020 . 1 . . . . . 3 MET H . 50328 1 2 . 1 . 1 3 3 MET C C 13 176.617 0.3 . 1 . . . . . 3 MET C . 50328 1 3 . 1 . 1 3 3 MET CA C 13 55.721 0.3 . 1 . . . . . 3 MET CA . 50328 1 4 . 1 . 1 3 3 MET CB C 13 32.994 0.3 . 1 . . . . . 3 MET CB . 50328 1 5 . 1 . 1 3 3 MET N N 15 119.599 0.3 . 1 . . . . . 3 MET N . 50328 1 6 . 1 . 1 4 4 GLY H H 1 8.393 0.020 . 1 . . . . . 4 GLY H . 50328 1 7 . 1 . 1 4 4 GLY C C 13 173.987 0.3 . 1 . . . . . 4 GLY C . 50328 1 8 . 1 . 1 4 4 GLY CA C 13 45.481 0.3 . 1 . . . . . 4 GLY CA . 50328 1 9 . 1 . 1 4 4 GLY N N 15 109.936 0.3 . 1 . . . . . 4 GLY N . 50328 1 10 . 1 . 1 5 5 ASN CA C 13 53.580 0.3 . 1 . . . . . 5 ASN CA . 50328 1 11 . 1 . 1 5 5 ASN CB C 13 38.900 0.3 . 1 . . . . . 5 ASN CB . 50328 1 12 . 1 . 1 6 6 ASP H H 1 8.461 0.020 . 1 . . . . . 6 ASP H . 50328 1 13 . 1 . 1 6 6 ASP C C 13 176.671 0.3 . 1 . . . . . 6 ASP C . 50328 1 14 . 1 . 1 6 6 ASP CA C 13 54.952 0.3 . 1 . . . . . 6 ASP CA . 50328 1 15 . 1 . 1 6 6 ASP CB C 13 41.125 0.3 . 1 . . . . . 6 ASP CB . 50328 1 16 . 1 . 1 6 6 ASP N N 15 120.846 0.3 . 1 . . . . . 6 ASP N . 50328 1 17 . 1 . 1 7 7 THR H H 1 8.082 0.020 . 1 . . . . . 7 THR H . 50328 1 18 . 1 . 1 7 7 THR C C 13 174.959 0.3 . 1 . . . . . 7 THR C . 50328 1 19 . 1 . 1 7 7 THR CA C 13 62.820 0.3 . 1 . . . . . 7 THR CA . 50328 1 20 . 1 . 1 7 7 THR CB C 13 69.585 0.3 . 1 . . . . . 7 THR CB . 50328 1 21 . 1 . 1 7 7 THR N N 15 114.134 0.3 . 1 . . . . . 7 THR N . 50328 1 22 . 1 . 1 8 8 LEU H H 1 8.112 0.020 . 1 . . . . . 8 LEU H . 50328 1 23 . 1 . 1 8 8 LEU C C 13 177.644 0.3 . 1 . . . . . 8 LEU C . 50328 1 24 . 1 . 1 8 8 LEU CA C 13 55.888 0.3 . 1 . . . . . 8 LEU CA . 50328 1 25 . 1 . 1 8 8 LEU CB C 13 41.997 0.3 . 1 . . . . . 8 LEU CB . 50328 1 26 . 1 . 1 8 8 LEU N N 15 123.493 0.3 . 1 . . . . . 8 LEU N . 50328 1 27 . 1 . 1 12 12 ALA CA C 13 53.450 0.3 . 1 . . . . . 12 ALA CA . 50328 1 28 . 1 . 1 12 12 ALA CB C 13 18.900 0.3 . 1 . . . . . 12 ALA CB . 50328 1 29 . 1 . 1 13 13 GLN H H 1 8.264 0.020 . 1 . . . . . 13 GLN H . 50328 1 30 . 1 . 1 13 13 GLN C C 13 176.365 0.3 . 1 . . . . . 13 GLN C . 50328 1 31 . 1 . 1 13 13 GLN CA C 13 56.492 0.3 . 1 . . . . . 13 GLN CA . 50328 1 32 . 1 . 1 13 13 GLN CB C 13 29.275 0.3 . 1 . . . . . 13 GLN CB . 50328 1 33 . 1 . 1 13 13 GLN N N 15 118.619 0.3 . 1 . . . . . 13 GLN N . 50328 1 34 . 1 . 1 14 14 GLN H H 1 8.321 0.020 . 1 . . . . . 14 GLN H . 50328 1 35 . 1 . 1 14 14 GLN C C 13 176.419 0.3 . 1 . . . . . 14 GLN C . 50328 1 36 . 1 . 1 14 14 GLN CA C 13 56.458 0.3 . 1 . . . . . 14 GLN CA . 50328 1 37 . 1 . 1 14 14 GLN CB C 13 29.031 0.3 . 1 . . . . . 14 GLN CB . 50328 1 38 . 1 . 1 14 14 GLN N N 15 120.965 0.3 . 1 . . . . . 14 GLN N . 50328 1 39 . 1 . 1 19 19 GLY CA C 13 45.440 0.3 . 1 . . . . . 19 GLY CA . 50328 1 40 . 1 . 1 20 20 LYS H H 1 8.211 0.020 . 1 . . . . . 20 LYS H . 50328 1 41 . 1 . 1 20 20 LYS C C 13 176.617 0.3 . 1 . . . . . 20 LYS C . 50328 1 42 . 1 . 1 20 20 LYS CA C 13 56.626 0.3 . 1 . . . . . 20 LYS CA . 50328 1 43 . 1 . 1 20 20 LYS CB C 13 33.204 0.3 . 1 . . . . . 20 LYS CB . 50328 1 44 . 1 . 1 20 20 LYS N N 15 121.104 0.3 . 1 . . . . . 20 LYS N . 50328 1 45 . 1 . 1 22 22 ASP CA C 13 54.360 0.3 . 1 . . . . . 22 ASP CA . 50328 1 46 . 1 . 1 22 22 ASP CB C 13 41.130 0.3 . 1 . . . . . 22 ASP CB . 50328 1 47 . 1 . 1 23 23 LEU H H 1 8.357 0.020 . 1 . . . . . 23 LEU H . 50328 1 48 . 1 . 1 23 23 LEU C C 13 177.806 0.3 . 1 . . . . . 23 LEU C . 50328 1 49 . 1 . 1 23 23 LEU CA C 13 55.779 0.3 . 1 . . . . . 23 LEU CA . 50328 1 50 . 1 . 1 23 23 LEU CB C 13 41.821 0.3 . 1 . . . . . 23 LEU CB . 50328 1 51 . 1 . 1 23 23 LEU N N 15 123.373 0.3 . 1 . . . . . 23 LEU N . 50328 1 52 . 1 . 1 24 24 THR H H 1 8.234 0.020 . 1 . . . . . 24 THR H . 50328 1 53 . 1 . 1 24 24 THR C C 13 174.725 0.3 . 1 . . . . . 24 THR C . 50328 1 54 . 1 . 1 24 24 THR CA C 13 62.552 0.3 . 1 . . . . . 24 THR CA . 50328 1 55 . 1 . 1 24 24 THR CB C 13 69.779 0.3 . 1 . . . . . 24 THR CB . 50328 1 56 . 1 . 1 24 24 THR N N 15 113.832 0.3 . 1 . . . . . 24 THR N . 50328 1 57 . 1 . 1 25 25 GLN H H 1 8.185 0.020 . 1 . . . . . 25 GLN H . 50328 1 58 . 1 . 1 25 25 GLN C C 13 175.806 0.3 . 1 . . . . . 25 GLN C . 50328 1 59 . 1 . 1 25 25 GLN CA C 13 56.055 0.3 . 1 . . . . . 25 GLN CA . 50328 1 60 . 1 . 1 25 25 GLN CB C 13 29.316 0.3 . 1 . . . . . 25 GLN CB . 50328 1 61 . 1 . 1 25 25 GLN N N 15 122.381 0.3 . 1 . . . . . 25 GLN N . 50328 1 62 . 1 . 1 26 26 LYS H H 1 8.349 0.020 . 1 . . . . . 26 LYS H . 50328 1 63 . 1 . 1 26 26 LYS C C 13 176.563 0.3 . 1 . . . . . 26 LYS C . 50328 1 64 . 1 . 1 26 26 LYS CA C 13 56.725 0.3 . 1 . . . . . 26 LYS CA . 50328 1 65 . 1 . 1 26 26 LYS CB C 13 33.215 0.3 . 1 . . . . . 26 LYS CB . 50328 1 66 . 1 . 1 26 26 LYS N N 15 123.125 0.3 . 1 . . . . . 26 LYS N . 50328 1 67 . 1 . 1 30 30 PRO CA C 13 63.440 0.3 . 1 . . . . . 30 PRO CA . 50328 1 68 . 1 . 1 30 30 PRO CB C 13 32.130 0.3 . 1 . . . . . 30 PRO CB . 50328 1 69 . 1 . 1 31 31 GLU H H 1 8.487 0.020 . 1 . . . . . 31 GLU H . 50328 1 70 . 1 . 1 31 31 GLU C C 13 176.221 0.3 . 1 . . . . . 31 GLU C . 50328 1 71 . 1 . 1 31 31 GLU CA C 13 56.693 0.3 . 1 . . . . . 31 GLU CA . 50328 1 72 . 1 . 1 31 31 GLU CB C 13 30.477 0.3 . 1 . . . . . 31 GLU CB . 50328 1 73 . 1 . 1 31 31 GLU N N 15 121.580 0.3 . 1 . . . . . 31 GLU N . 50328 1 74 . 1 . 1 32 32 LYS H H 1 8.343 0.020 . 1 . . . . . 32 LYS H . 50328 1 75 . 1 . 1 32 32 LYS C C 13 174.257 0.3 . 1 . . . . . 32 LYS C . 50328 1 76 . 1 . 1 32 32 LYS CA C 13 54.482 0.3 . 1 . . . . . 32 LYS CA . 50328 1 77 . 1 . 1 32 32 LYS CB C 13 32.801 0.3 . 1 . . . . . 32 LYS CB . 50328 1 78 . 1 . 1 32 32 LYS N N 15 124.212 0.3 . 1 . . . . . 32 LYS N . 50328 1 79 . 1 . 1 33 33 PRO CA C 13 63.140 0.3 . 1 . . . . . 33 PRO CA . 50328 1 80 . 1 . 1 33 33 PRO CB C 13 32.420 0.3 . 1 . . . . . 33 PRO CB . 50328 1 81 . 1 . 1 34 34 LYS H H 1 8.370 0.020 . 1 . . . . . 34 LYS H . 50328 1 82 . 1 . 1 34 34 LYS C C 13 176.581 0.3 . 1 . . . . . 34 LYS C . 50328 1 83 . 1 . 1 34 34 LYS CA C 13 56.369 0.3 . 1 . . . . . 34 LYS CA . 50328 1 84 . 1 . 1 34 34 LYS CB C 13 34.446 0.3 . 1 . . . . . 34 LYS CB . 50328 1 85 . 1 . 1 34 34 LYS N N 15 122.604 0.3 . 1 . . . . . 34 LYS N . 50328 1 86 . 1 . 1 35 35 SER H H 1 8.900 0.020 . 1 . . . . . 35 SER H . 50328 1 87 . 1 . 1 35 35 SER C C 13 174.347 0.3 . 1 . . . . . 35 SER C . 50328 1 88 . 1 . 1 35 35 SER CA C 13 57.262 0.3 . 1 . . . . . 35 SER CA . 50328 1 89 . 1 . 1 35 35 SER CB C 13 65.422 0.3 . 1 . . . . . 35 SER CB . 50328 1 90 . 1 . 1 35 35 SER N N 15 119.167 0.3 . 1 . . . . . 35 SER N . 50328 1 91 . 1 . 1 36 36 LYS H H 1 8.791 0.020 . 1 . . . . . 36 LYS H . 50328 1 92 . 1 . 1 36 36 LYS C C 13 179.626 0.3 . 1 . . . . . 36 LYS C . 50328 1 93 . 1 . 1 36 36 LYS CA C 13 60.209 0.3 . 1 . . . . . 36 LYS CA . 50328 1 94 . 1 . 1 36 36 LYS CB C 13 32.704 0.3 . 1 . . . . . 36 LYS CB . 50328 1 95 . 1 . 1 36 36 LYS N N 15 120.898 0.3 . 1 . . . . . 36 LYS N . 50328 1 96 . 1 . 1 37 37 GLU H H 1 8.767 0.020 . 1 . . . . . 37 GLU H . 50328 1 97 . 1 . 1 37 37 GLU C C 13 177.626 0.3 . 1 . . . . . 37 GLU C . 50328 1 98 . 1 . 1 37 37 GLU CA C 13 58.735 0.3 . 1 . . . . . 37 GLU CA . 50328 1 99 . 1 . 1 37 37 GLU CB C 13 29.800 0.3 . 1 . . . . . 37 GLU CB . 50328 1 100 . 1 . 1 37 37 GLU N N 15 119.602 0.3 . 1 . . . . . 37 GLU N . 50328 1 101 . 1 . 1 38 38 GLU H H 1 7.944 0.020 . 1 . . . . . 38 GLU H . 50328 1 102 . 1 . 1 38 38 GLU C C 13 179.607 0.3 . 1 . . . . . 38 GLU C . 50328 1 103 . 1 . 1 38 38 GLU CA C 13 60.073 0.3 . 1 . . . . . 38 GLU CA . 50328 1 104 . 1 . 1 38 38 GLU CB C 13 29.968 0.3 . 1 . . . . . 38 GLU CB . 50328 1 105 . 1 . 1 38 38 GLU N N 15 120.183 0.3 . 1 . . . . . 38 GLU N . 50328 1 106 . 1 . 1 39 39 LEU H H 1 8.321 0.020 . 1 . . . . . 39 LEU H . 50328 1 107 . 1 . 1 39 39 LEU C C 13 175.122 0.3 . 1 . . . . . 39 LEU C . 50328 1 108 . 1 . 1 39 39 LEU CA C 13 57.865 0.3 . 1 . . . . . 39 LEU CA . 50328 1 109 . 1 . 1 39 39 LEU CB C 13 42.145 0.3 . 1 . . . . . 39 LEU CB . 50328 1 110 . 1 . 1 39 39 LEU N N 15 119.104 0.3 . 1 . . . . . 39 LEU N . 50328 1 111 . 1 . 1 40 40 LEU CA C 13 57.770 0.3 . 1 . . . . . 40 LEU CA . 50328 1 112 . 1 . 1 40 40 LEU CB C 13 41.030 0.3 . 1 . . . . . 40 LEU CB . 50328 1 113 . 1 . 1 41 41 ARG H H 1 8.428 0.020 . 1 . . . . . 41 ARG H . 50328 1 114 . 1 . 1 41 41 ARG C C 13 178.148 0.3 . 1 . . . . . 41 ARG C . 50328 1 115 . 1 . 1 41 41 ARG CA C 13 60.979 0.3 . 1 . . . . . 41 ARG CA . 50328 1 116 . 1 . 1 41 41 ARG CB C 13 30.580 0.3 . 1 . . . . . 41 ARG CB . 50328 1 117 . 1 . 1 41 41 ARG N N 15 117.013 0.3 . 1 . . . . . 41 ARG N . 50328 1 118 . 1 . 1 42 42 GLU H H 1 7.290 0.020 . 1 . . . . . 42 GLU H . 50328 1 119 . 1 . 1 42 42 GLU C C 13 177.734 0.3 . 1 . . . . . 42 GLU C . 50328 1 120 . 1 . 1 42 42 GLU CA C 13 58.836 0.3 . 1 . . . . . 42 GLU CA . 50328 1 121 . 1 . 1 42 42 GLU CB C 13 29.993 0.3 . 1 . . . . . 42 GLU CB . 50328 1 122 . 1 . 1 42 42 GLU N N 15 114.916 0.3 . 1 . . . . . 42 GLU N . 50328 1 123 . 1 . 1 43 43 LYS H H 1 7.983 0.020 . 1 . . . . . 43 LYS H . 50328 1 124 . 1 . 1 43 43 LYS C C 13 176.221 0.3 . 1 . . . . . 43 LYS C . 50328 1 125 . 1 . 1 43 43 LYS CA C 13 55.856 0.3 . 1 . . . . . 43 LYS CA . 50328 1 126 . 1 . 1 43 43 LYS CB C 13 33.188 0.3 . 1 . . . . . 43 LYS CB . 50328 1 127 . 1 . 1 43 43 LYS N N 15 116.584 0.3 . 1 . . . . . 43 LYS N . 50328 1 128 . 1 . 1 44 44 LEU H H 1 7.188 0.020 . 1 . . . . . 44 LEU H . 50328 1 129 . 1 . 1 44 44 LEU C C 13 177.103 0.3 . 1 . . . . . 44 LEU C . 50328 1 130 . 1 . 1 44 44 LEU CA C 13 53.847 0.3 . 1 . . . . . 44 LEU CA . 50328 1 131 . 1 . 1 44 44 LEU CB C 13 43.642 0.3 . 1 . . . . . 44 LEU CB . 50328 1 132 . 1 . 1 44 44 LEU N N 15 118.351 0.3 . 1 . . . . . 44 LEU N . 50328 1 133 . 1 . 1 45 45 SER H H 1 8.884 0.020 . 1 . . . . . 45 SER H . 50328 1 134 . 1 . 1 45 45 SER C C 13 174.978 0.3 . 1 . . . . . 45 SER C . 50328 1 135 . 1 . 1 45 45 SER CA C 13 57.162 0.3 . 1 . . . . . 45 SER CA . 50328 1 136 . 1 . 1 45 45 SER CB C 13 65.325 0.3 . 1 . . . . . 45 SER CB . 50328 1 137 . 1 . 1 45 45 SER N N 15 117.185 0.3 . 1 . . . . . 45 SER N . 50328 1 138 . 1 . 1 46 46 GLU H H 1 9.007 0.020 . 1 . . . . . 46 GLU H . 50328 1 139 . 1 . 1 46 46 GLU C C 13 179.320 0.3 . 1 . . . . . 46 GLU C . 50328 1 140 . 1 . 1 46 46 GLU CA C 13 60.510 0.3 . 1 . . . . . 46 GLU CA . 50328 1 141 . 1 . 1 46 46 GLU CB C 13 29.025 0.3 . 1 . . . . . 46 GLU CB . 50328 1 142 . 1 . 1 46 46 GLU N N 15 120.670 0.3 . 1 . . . . . 46 GLU N . 50328 1 143 . 1 . 1 47 47 ASP H H 1 8.615 0.020 . 1 . . . . . 47 ASP H . 50328 1 144 . 1 . 1 47 47 ASP C C 13 179.355 0.3 . 1 . . . . . 47 ASP C . 50328 1 145 . 1 . 1 47 47 ASP CA C 13 57.630 0.3 . 1 . . . . . 47 ASP CA . 50328 1 146 . 1 . 1 47 47 ASP CB C 13 40.835 0.3 . 1 . . . . . 47 ASP CB . 50328 1 147 . 1 . 1 47 47 ASP N N 15 117.847 0.3 . 1 . . . . . 47 ASP N . 50328 1 148 . 1 . 1 48 48 GLN H H 1 7.897 0.020 . 1 . . . . . 48 GLN H . 50328 1 149 . 1 . 1 48 48 GLN C C 13 178.796 0.3 . 1 . . . . . 48 GLN C . 50328 1 150 . 1 . 1 48 48 GLN CA C 13 58.834 0.3 . 1 . . . . . 48 GLN CA . 50328 1 151 . 1 . 1 48 48 GLN CB C 13 28.741 0.3 . 1 . . . . . 48 GLN CB . 50328 1 152 . 1 . 1 48 48 GLN N N 15 120.962 0.3 . 1 . . . . . 48 GLN N . 50328 1 153 . 1 . 1 49 49 LYS H H 1 8.697 0.020 . 1 . . . . . 49 LYS H . 50328 1 154 . 1 . 1 49 49 LYS C C 13 178.509 0.3 . 1 . . . . . 49 LYS C . 50328 1 155 . 1 . 1 49 49 LYS CA C 13 61.447 0.3 . 1 . . . . . 49 LYS CA . 50328 1 156 . 1 . 1 49 49 LYS CB C 13 32.607 0.3 . 1 . . . . . 49 LYS CB . 50328 1 157 . 1 . 1 49 49 LYS N N 15 120.795 0.3 . 1 . . . . . 49 LYS N . 50328 1 158 . 1 . 1 50 50 THR H H 1 7.893 0.020 . 1 . . . . . 50 THR H . 50328 1 159 . 1 . 1 50 50 THR C C 13 177.337 0.3 . 1 . . . . . 50 THR C . 50328 1 160 . 1 . 1 50 50 THR CA C 13 66.135 0.3 . 1 . . . . . 50 THR CA . 50328 1 161 . 1 . 1 50 50 THR CB C 13 68.714 0.3 . 1 . . . . . 50 THR CB . 50328 1 162 . 1 . 1 50 50 THR N N 15 115.606 0.3 . 1 . . . . . 50 THR N . 50328 1 163 . 1 . 1 51 51 HIS H H 1 7.900 0.020 . 1 . . . . . 51 HIS H . 50328 1 164 . 1 . 1 51 51 HIS C C 13 175.950 0.3 . 1 . . . . . 51 HIS C . 50328 1 165 . 1 . 1 51 51 HIS CA C 13 62.452 0.3 . 1 . . . . . 51 HIS CA . 50328 1 166 . 1 . 1 51 51 HIS CB C 13 28.735 0.3 . 1 . . . . . 51 HIS CB . 50328 1 167 . 1 . 1 51 51 HIS N N 15 120.626 0.3 . 1 . . . . . 51 HIS N . 50328 1 168 . 1 . 1 52 52 LEU H H 1 8.927 0.020 . 1 . . . . . 52 LEU H . 50328 1 169 . 1 . 1 52 52 LEU C C 13 178.508 0.3 . 1 . . . . . 52 LEU C . 50328 1 170 . 1 . 1 52 52 LEU CA C 13 58.147 0.3 . 1 . . . . . 52 LEU CA . 50328 1 171 . 1 . 1 52 52 LEU CB C 13 41.125 0.3 . 1 . . . . . 52 LEU CB . 50328 1 172 . 1 . 1 52 52 LEU N N 15 126.565 0.3 . 1 . . . . . 52 LEU N . 50328 1 173 . 1 . 1 53 53 ASP H H 1 7.929 0.020 . 1 . . . . . 53 ASP H . 50328 1 174 . 1 . 1 53 53 ASP C C 13 179.175 0.3 . 1 . . . . . 53 ASP C . 50328 1 175 . 1 . 1 53 53 ASP CA C 13 57.930 0.3 . 1 . . . . . 53 ASP CA . 50328 1 176 . 1 . 1 53 53 ASP CB C 13 39.825 0.3 . 1 . . . . . 53 ASP CB . 50328 1 177 . 1 . 1 53 53 ASP N N 15 119.315 0.3 . 1 . . . . . 53 ASP N . 50328 1 178 . 1 . 1 54 54 TRP H H 1 7.727 0.020 . 1 . . . . . 54 TRP H . 50328 1 179 . 1 . 1 54 54 TRP C C 13 178.382 0.3 . 1 . . . . . 54 TRP C . 50328 1 180 . 1 . 1 54 54 TRP CA C 13 61.937 0.3 . 1 . . . . . 54 TRP CA . 50328 1 181 . 1 . 1 54 54 TRP CB C 13 29.025 0.3 . 1 . . . . . 54 TRP CB . 50328 1 182 . 1 . 1 54 54 TRP N N 15 121.363 0.3 . 1 . . . . . 54 TRP N . 50328 1 183 . 1 . 1 55 55 LEU H H 1 8.692 0.020 . 1 . . . . . 55 LEU H . 50328 1 184 . 1 . 1 55 55 LEU C C 13 177.302 0.3 . 1 . . . . . 55 LEU C . 50328 1 185 . 1 . 1 55 55 LEU CA C 13 57.932 0.3 . 1 . . . . . 55 LEU CA . 50328 1 186 . 1 . 1 55 55 LEU CB C 13 42.384 0.3 . 1 . . . . . 55 LEU CB . 50328 1 187 . 1 . 1 55 55 LEU N N 15 121.766 0.3 . 1 . . . . . 55 LEU N . 50328 1 188 . 1 . 1 56 56 LYS H H 1 8.385 0.020 . 1 . . . . . 56 LYS H . 50328 1 189 . 1 . 1 56 56 LYS C C 13 179.499 0.3 . 1 . . . . . 56 LYS C . 50328 1 190 . 1 . 1 56 56 LYS CA C 13 60.108 0.3 . 1 . . . . . 56 LYS CA . 50328 1 191 . 1 . 1 56 56 LYS CB C 13 32.801 0.3 . 1 . . . . . 56 LYS CB . 50328 1 192 . 1 . 1 56 56 LYS N N 15 119.957 0.3 . 1 . . . . . 56 LYS N . 50328 1 193 . 1 . 1 57 57 GLU H H 1 7.232 0.020 . 1 . . . . . 57 GLU H . 50328 1 194 . 1 . 1 57 57 GLU C C 13 178.094 0.3 . 1 . . . . . 57 GLU C . 50328 1 195 . 1 . 1 57 57 GLU CA C 13 58.600 0.3 . 1 . . . . . 57 GLU CA . 50328 1 196 . 1 . 1 57 57 GLU CB C 13 29.219 0.3 . 1 . . . . . 57 GLU CB . 50328 1 197 . 1 . 1 57 57 GLU N N 15 117.762 0.3 . 1 . . . . . 57 GLU N . 50328 1 198 . 1 . 1 58 58 ALA H H 1 7.945 0.020 . 1 . . . . . 58 ALA H . 50328 1 199 . 1 . 1 58 58 ALA C C 13 179.175 0.3 . 1 . . . . . 58 ALA C . 50328 1 200 . 1 . 1 58 58 ALA CA C 13 54.750 0.3 . 1 . . . . . 58 ALA CA . 50328 1 201 . 1 . 1 58 58 ALA CB C 13 17.990 0.3 . 1 . . . . . 58 ALA CB . 50328 1 202 . 1 . 1 58 58 ALA N N 15 121.672 0.3 . 1 . . . . . 58 ALA N . 50328 1 203 . 1 . 1 59 59 LEU H H 1 8.187 0.020 . 1 . . . . . 59 LEU H . 50328 1 204 . 1 . 1 59 59 LEU C C 13 178.563 0.3 . 1 . . . . . 59 LEU C . 50328 1 205 . 1 . 1 59 59 LEU CA C 13 56.454 0.3 . 1 . . . . . 59 LEU CA . 50328 1 206 . 1 . 1 59 59 LEU CB C 13 42.098 0.3 . 1 . . . . . 59 LEU CB . 50328 1 207 . 1 . 1 59 59 LEU N N 15 114.562 0.3 . 1 . . . . . 59 LEU N . 50328 1 208 . 1 . 1 60 60 GLY H H 1 7.302 0.020 . 1 . . . . . 60 GLY H . 50328 1 209 . 1 . 1 60 60 GLY C C 13 174.419 0.3 . 1 . . . . . 60 GLY C . 50328 1 210 . 1 . 1 60 60 GLY CA C 13 47.030 0.3 . 1 . . . . . 60 GLY CA . 50328 1 211 . 1 . 1 60 60 GLY N N 15 105.291 0.3 . 1 . . . . . 60 GLY N . 50328 1 212 . 1 . 1 61 61 ASN H H 1 8.335 0.020 . 1 . . . . . 61 ASN H . 50328 1 213 . 1 . 1 61 61 ASN C C 13 174.419 0.3 . 1 . . . . . 61 ASN C . 50328 1 214 . 1 . 1 61 61 ASN CA C 13 53.419 0.3 . 1 . . . . . 61 ASN CA . 50328 1 215 . 1 . 1 61 61 ASN CB C 13 39.964 0.3 . 1 . . . . . 61 ASN CB . 50328 1 216 . 1 . 1 61 61 ASN N N 15 116.925 0.3 . 1 . . . . . 61 ASN N . 50328 1 217 . 1 . 1 62 62 ASP H H 1 8.794 0.020 . 1 . . . . . 62 ASP H . 50328 1 218 . 1 . 1 62 62 ASP C C 13 177.644 0.3 . 1 . . . . . 62 ASP C . 50328 1 219 . 1 . 1 62 62 ASP CA C 13 56.841 0.3 . 1 . . . . . 62 ASP CA . 50328 1 220 . 1 . 1 62 62 ASP CB C 13 40.646 0.3 . 1 . . . . . 62 ASP CB . 50328 1 221 . 1 . 1 62 62 ASP N N 15 124.895 0.3 . 1 . . . . . 62 ASP N . 50328 1 222 . 1 . 1 63 63 GLY H H 1 8.435 0.020 . 1 . . . . . 63 GLY H . 50328 1 223 . 1 . 1 63 63 GLY C C 13 177.067 0.3 . 1 . . . . . 63 GLY C . 50328 1 224 . 1 . 1 63 63 GLY CA C 13 47.030 0.3 . 1 . . . . . 63 GLY CA . 50328 1 225 . 1 . 1 63 63 GLY N N 15 108.882 0.3 . 1 . . . . . 63 GLY N . 50328 1 226 . 1 . 1 64 64 GLU H H 1 8.259 0.020 . 1 . . . . . 64 GLU H . 50328 1 227 . 1 . 1 64 64 GLU C C 13 179.157 0.3 . 1 . . . . . 64 GLU C . 50328 1 228 . 1 . 1 64 64 GLU CA C 13 58.840 0.3 . 1 . . . . . 64 GLU CA . 50328 1 229 . 1 . 1 64 64 GLU CB C 13 29.999 0.3 . 1 . . . . . 64 GLU CB . 50328 1 230 . 1 . 1 64 64 GLU N N 15 122.152 0.3 . 1 . . . . . 64 GLU N . 50328 1 231 . 1 . 1 65 65 PHE H H 1 8.576 0.020 . 1 . . . . . 65 PHE H . 50328 1 232 . 1 . 1 65 65 PHE C C 13 176.383 0.3 . 1 . . . . . 65 PHE C . 50328 1 233 . 1 . 1 65 65 PHE CA C 13 61.849 0.3 . 1 . . . . . 65 PHE CA . 50328 1 234 . 1 . 1 65 65 PHE CB C 13 38.899 0.3 . 1 . . . . . 65 PHE CB . 50328 1 235 . 1 . 1 65 65 PHE N N 15 122.157 0.3 . 1 . . . . . 65 PHE N . 50328 1 236 . 1 . 1 66 66 ASP H H 1 8.243 0.020 . 1 . . . . . 66 ASP H . 50328 1 237 . 1 . 1 66 66 ASP C C 13 178.940 0.3 . 1 . . . . . 66 ASP C . 50328 1 238 . 1 . 1 66 66 ASP CA C 13 57.898 0.3 . 1 . . . . . 66 ASP CA . 50328 1 239 . 1 . 1 66 66 ASP CB C 13 41.250 0.3 . 1 . . . . . 66 ASP CB . 50328 1 240 . 1 . 1 66 66 ASP N N 15 117.770 0.3 . 1 . . . . . 66 ASP N . 50328 1 241 . 1 . 1 67 67 LYS H H 1 7.457 0.020 . 1 . . . . . 67 LYS H . 50328 1 242 . 1 . 1 67 67 LYS C C 13 178.940 0.3 . 1 . . . . . 67 LYS C . 50328 1 243 . 1 . 1 67 67 LYS CA C 13 59.539 0.3 . 1 . . . . . 67 LYS CA . 50328 1 244 . 1 . 1 67 67 LYS CB C 13 32.413 0.3 . 1 . . . . . 67 LYS CB . 50328 1 245 . 1 . 1 67 67 LYS N N 15 118.813 0.3 . 1 . . . . . 67 LYS N . 50328 1 246 . 1 . 1 68 68 PHE H H 1 7.523 0.020 . 1 . . . . . 68 PHE H . 50328 1 247 . 1 . 1 68 68 PHE C C 13 175.302 0.3 . 1 . . . . . 68 PHE C . 50328 1 248 . 1 . 1 68 68 PHE CA C 13 60.508 0.3 . 1 . . . . . 68 PHE CA . 50328 1 249 . 1 . 1 68 68 PHE CB C 13 38.609 0.3 . 1 . . . . . 68 PHE CB . 50328 1 250 . 1 . 1 68 68 PHE N N 15 121.796 0.3 . 1 . . . . . 68 PHE N . 50328 1 251 . 1 . 1 69 69 LEU H H 1 7.425 0.020 . 1 . . . . . 69 LEU H . 50328 1 252 . 1 . 1 69 69 LEU C C 13 177.085 0.3 . 1 . . . . . 69 LEU C . 50328 1 253 . 1 . 1 69 69 LEU CA C 13 55.856 0.3 . 1 . . . . . 69 LEU CA . 50328 1 254 . 1 . 1 69 69 LEU CB C 13 42.190 0.3 . 1 . . . . . 69 LEU CB . 50328 1 255 . 1 . 1 69 69 LEU N N 15 112.655 0.3 . 1 . . . . . 69 LEU N . 50328 1 256 . 1 . 1 70 70 GLY H H 1 7.306 0.020 . 1 . . . . . 70 GLY H . 50328 1 257 . 1 . 1 70 70 GLY C C 13 175.266 0.3 . 1 . . . . . 70 GLY C . 50328 1 258 . 1 . 1 70 70 GLY CA C 13 44.901 0.3 . 1 . . . . . 70 GLY CA . 50328 1 259 . 1 . 1 70 70 GLY N N 15 103.961 0.3 . 1 . . . . . 70 GLY N . 50328 1 260 . 1 . 1 71 71 TYR H H 1 7.115 0.020 . 1 . . . . . 71 TYR H . 50328 1 261 . 1 . 1 71 71 TYR C C 13 173.825 0.3 . 1 . . . . . 71 TYR C . 50328 1 262 . 1 . 1 71 71 TYR CA C 13 56.458 0.3 . 1 . . . . . 71 TYR CA . 50328 1 263 . 1 . 1 71 71 TYR CB C 13 38.517 0.3 . 1 . . . . . 71 TYR CB . 50328 1 264 . 1 . 1 71 71 TYR N N 15 120.607 0.3 . 1 . . . . . 71 TYR N . 50328 1 265 . 1 . 1 72 72 ASP H H 1 8.187 0.020 . 1 . . . . . 72 ASP H . 50328 1 266 . 1 . 1 72 72 ASP C C 13 176.887 0.3 . 1 . . . . . 72 ASP C . 50328 1 267 . 1 . 1 72 72 ASP CA C 13 55.019 0.3 . 1 . . . . . 72 ASP CA . 50328 1 268 . 1 . 1 72 72 ASP CB C 13 42.674 0.3 . 1 . . . . . 72 ASP CB . 50328 1 269 . 1 . 1 72 72 ASP N N 15 117.160 0.3 . 1 . . . . . 72 ASP N . 50328 1 270 . 1 . 1 73 73 GLU H H 1 8.855 0.020 . 1 . . . . . 73 GLU H . 50328 1 271 . 1 . 1 73 73 GLU C C 13 177.607 0.3 . 1 . . . . . 73 GLU C . 50328 1 272 . 1 . 1 73 73 GLU CA C 13 60.542 0.3 . 1 . . . . . 73 GLU CA . 50328 1 273 . 1 . 1 73 73 GLU CB C 13 30.381 0.3 . 1 . . . . . 73 GLU CB . 50328 1 274 . 1 . 1 73 73 GLU N N 15 124.150 0.3 . 1 . . . . . 73 GLU N . 50328 1 275 . 1 . 1 74 74 SER H H 1 8.537 0.020 . 1 . . . . . 74 SER H . 50328 1 276 . 1 . 1 74 74 SER C C 13 177.283 0.3 . 1 . . . . . 74 SER C . 50328 1 277 . 1 . 1 74 74 SER CA C 13 61.849 0.3 . 1 . . . . . 74 SER CA . 50328 1 278 . 1 . 1 74 74 SER N N 15 113.728 0.3 . 1 . . . . . 74 SER N . 50328 1 279 . 1 . 1 75 75 LYS H H 1 7.451 0.020 . 1 . . . . . 75 LYS H . 50328 1 280 . 1 . 1 75 75 LYS C C 13 179.301 0.3 . 1 . . . . . 75 LYS C . 50328 1 281 . 1 . 1 75 75 LYS CA C 13 59.102 0.3 . 1 . . . . . 75 LYS CA . 50328 1 282 . 1 . 1 75 75 LYS CB C 13 32.704 0.3 . 1 . . . . . 75 LYS CB . 50328 1 283 . 1 . 1 75 75 LYS N N 15 123.422 0.3 . 1 . . . . . 75 LYS N . 50328 1 284 . 1 . 1 76 76 ILE CA C 13 66.440 0.3 . 1 . . . . . 76 ILE CA . 50328 1 285 . 1 . 1 76 76 ILE CB C 13 38.670 0.3 . 1 . . . . . 76 ILE CB . 50328 1 286 . 1 . 1 77 77 LYS H H 1 8.262 0.020 . 1 . . . . . 77 LYS H . 50328 1 287 . 1 . 1 77 77 LYS C C 13 177.968 0.3 . 1 . . . . . 77 LYS C . 50328 1 288 . 1 . 1 77 77 LYS CB C 13 32.704 0.3 . 1 . . . . . 77 LYS CB . 50328 1 289 . 1 . 1 77 77 LYS N N 15 118.877 0.3 . 1 . . . . . 77 LYS N . 50328 1 290 . 1 . 1 78 78 THR H H 1 7.888 0.020 . 1 . . . . . 78 THR H . 50328 1 291 . 1 . 1 78 78 THR C C 13 177.140 0.3 . 1 . . . . . 78 THR C . 50328 1 292 . 1 . 1 78 78 THR CA C 13 66.805 0.3 . 1 . . . . . 78 THR CA . 50328 1 293 . 1 . 1 78 78 THR CB C 13 68.811 0.3 . 1 . . . . . 78 THR CB . 50328 1 294 . 1 . 1 78 78 THR N N 15 114.161 0.3 . 1 . . . . . 78 THR N . 50328 1 295 . 1 . 1 79 79 ALA H H 1 8.234 0.020 . 1 . . . . . 79 ALA H . 50328 1 296 . 1 . 1 79 79 ALA C C 13 179.967 0.3 . 1 . . . . . 79 ALA C . 50328 1 297 . 1 . 1 79 79 ALA CA C 13 55.988 0.3 . 1 . . . . . 79 ALA CA . 50328 1 298 . 1 . 1 79 79 ALA N N 15 125.027 0.3 . 1 . . . . . 79 ALA N . 50328 1 299 . 1 . 1 80 80 LEU H H 1 8.803 0.020 . 1 . . . . . 80 LEU H . 50328 1 300 . 1 . 1 80 80 LEU C C 13 180.093 0.3 . 1 . . . . . 80 LEU C . 50328 1 301 . 1 . 1 80 80 LEU CA C 13 58.300 0.3 . 1 . . . . . 80 LEU CA . 50328 1 302 . 1 . 1 80 80 LEU CB C 13 41.706 0.3 . 1 . . . . . 80 LEU CB . 50328 1 303 . 1 . 1 80 80 LEU N N 15 117.891 0.3 . 1 . . . . . 80 LEU N . 50328 1 304 . 1 . 1 81 81 ASP H H 1 8.747 0.020 . 1 . . . . . 81 ASP H . 50328 1 305 . 1 . 1 81 81 ASP C C 13 178.814 0.3 . 1 . . . . . 81 ASP C . 50328 1 306 . 1 . 1 81 81 ASP CA C 13 57.595 0.3 . 1 . . . . . 81 ASP CA . 50328 1 307 . 1 . 1 81 81 ASP CB C 13 39.577 0.3 . 1 . . . . . 81 ASP CB . 50328 1 308 . 1 . 1 81 81 ASP N N 15 123.184 0.3 . 1 . . . . . 81 ASP N . 50328 1 309 . 1 . 1 82 82 HIS H H 1 8.244 0.020 . 1 . . . . . 82 HIS H . 50328 1 310 . 1 . 1 82 82 HIS C C 13 176.942 0.3 . 1 . . . . . 82 HIS C . 50328 1 311 . 1 . 1 82 82 HIS CA C 13 59.740 0.3 . 1 . . . . . 82 HIS CA . 50328 1 312 . 1 . 1 82 82 HIS N N 15 122.507 0.3 . 1 . . . . . 82 HIS N . 50328 1 313 . 1 . 1 83 83 ILE CA C 13 66.140 0.3 . 1 . . . . . 83 ILE CA . 50328 1 314 . 1 . 1 83 83 ILE CB C 13 38.130 0.3 . 1 . . . . . 83 ILE CB . 50328 1 315 . 1 . 1 84 84 LYS H H 1 7.372 0.020 . 1 . . . . . 84 LYS H . 50328 1 316 . 1 . 1 84 84 LYS C C 13 177.157 0.3 . 1 . . . . . 84 LYS C . 50328 1 317 . 1 . 1 84 84 LYS CA C 13 59.874 0.3 . 1 . . . . . 84 LYS CA . 50328 1 318 . 1 . 1 84 84 LYS CB C 13 31.639 0.3 . 1 . . . . . 84 LYS CB . 50328 1 319 . 1 . 1 84 84 LYS N N 15 118.445 0.3 . 1 . . . . . 84 LYS N . 50328 1 320 . 1 . 1 85 85 SER H H 1 7.653 0.020 . 1 . . . . . 85 SER H . 50328 1 321 . 1 . 1 85 85 SER C C 13 177.121 0.3 . 1 . . . . . 85 SER C . 50328 1 322 . 1 . 1 85 85 SER CA C 13 61.447 0.3 . 1 . . . . . 85 SER CA . 50328 1 323 . 1 . 1 85 85 SER CB C 13 62.809 0.3 . 1 . . . . . 85 SER CB . 50328 1 324 . 1 . 1 85 85 SER N N 15 112.361 0.3 . 1 . . . . . 85 SER N . 50328 1 325 . 1 . 1 86 86 GLU H H 1 7.798 0.020 . 1 . . . . . 86 GLU H . 50328 1 326 . 1 . 1 86 86 GLU C C 13 179.967 0.3 . 1 . . . . . 86 GLU C . 50328 1 327 . 1 . 1 86 86 GLU CA C 13 58.300 0.3 . 1 . . . . . 86 GLU CA . 50328 1 328 . 1 . 1 86 86 GLU CB C 13 29.606 0.3 . 1 . . . . . 86 GLU CB . 50328 1 329 . 1 . 1 86 86 GLU N N 15 118.980 0.3 . 1 . . . . . 86 GLU N . 50328 1 330 . 1 . 1 87 87 LEU H H 1 8.175 0.020 . 1 . . . . . 87 LEU H . 50328 1 331 . 1 . 1 87 87 LEU C C 13 180.724 0.3 . 1 . . . . . 87 LEU C . 50328 1 332 . 1 . 1 87 87 LEU CA C 13 58.198 0.3 . 1 . . . . . 87 LEU CA . 50328 1 333 . 1 . 1 87 87 LEU CB C 13 41.673 0.3 . 1 . . . . . 87 LEU CB . 50328 1 334 . 1 . 1 87 87 LEU N N 15 121.742 0.3 . 1 . . . . . 87 LEU N . 50328 1 335 . 1 . 1 88 88 ASP H H 1 8.467 0.020 . 1 . . . . . 88 ASP H . 50328 1 336 . 1 . 1 88 88 ASP C C 13 177.806 0.3 . 1 . . . . . 88 ASP C . 50328 1 337 . 1 . 1 88 88 ASP CA C 13 56.659 0.3 . 1 . . . . . 88 ASP CA . 50328 1 338 . 1 . 1 88 88 ASP CB C 13 40.061 0.3 . 1 . . . . . 88 ASP CB . 50328 1 339 . 1 . 1 88 88 ASP N N 15 120.031 0.3 . 1 . . . . . 88 ASP N . 50328 1 340 . 1 . 1 89 89 LYS H H 1 7.063 0.020 . 1 . . . . . 89 LYS H . 50328 1 341 . 1 . 1 89 89 LYS C C 13 177.337 0.3 . 1 . . . . . 89 LYS C . 50328 1 342 . 1 . 1 89 89 LYS CA C 13 57.697 0.3 . 1 . . . . . 89 LYS CA . 50328 1 343 . 1 . 1 89 89 LYS CB C 13 33.188 0.3 . 1 . . . . . 89 LYS CB . 50328 1 344 . 1 . 1 89 89 LYS N N 15 116.921 0.3 . 1 . . . . . 89 LYS N . 50328 1 345 . 1 . 1 90 90 CYS H H 1 7.418 0.020 . 1 . . . . . 90 CYS H . 50328 1 346 . 1 . 1 90 90 CYS C C 13 173.951 0.3 . 1 . . . . . 90 CYS C . 50328 1 347 . 1 . 1 90 90 CYS CA C 13 59.104 0.3 . 1 . . . . . 90 CYS CA . 50328 1 348 . 1 . 1 90 90 CYS CB C 13 27.186 0.3 . 1 . . . . . 90 CYS CB . 50328 1 349 . 1 . 1 90 90 CYS N N 15 118.856 0.3 . 1 . . . . . 90 CYS N . 50328 1 350 . 1 . 1 91 91 ASN H H 1 8.019 0.020 . 1 . . . . . 91 ASN H . 50328 1 351 . 1 . 1 91 91 ASN C C 13 175.158 0.3 . 1 . . . . . 91 ASN C . 50328 1 352 . 1 . 1 91 91 ASN CA C 13 53.345 0.3 . 1 . . . . . 91 ASN CA . 50328 1 353 . 1 . 1 91 91 ASN CB C 13 40.351 0.3 . 1 . . . . . 91 ASN CB . 50328 1 354 . 1 . 1 91 91 ASN N N 15 120.241 0.3 . 1 . . . . . 91 ASN N . 50328 1 355 . 1 . 1 92 92 GLY H H 1 8.595 0.020 . 1 . . . . . 92 GLY H . 50328 1 356 . 1 . 1 92 92 GLY C C 13 175.122 0.3 . 1 . . . . . 92 GLY C . 50328 1 357 . 1 . 1 92 92 GLY CA C 13 44.804 0.3 . 1 . . . . . 92 GLY CA . 50328 1 358 . 1 . 1 92 92 GLY N N 15 108.885 0.3 . 1 . . . . . 92 GLY N . 50328 1 359 . 1 . 1 93 93 ASN CA C 13 55.390 0.3 . 1 . . . . . 93 ASN CA . 50328 1 360 . 1 . 1 93 93 ASN CB C 13 38.420 0.3 . 1 . . . . . 93 ASN CB . 50328 1 361 . 1 . 1 94 94 ASP H H 1 8.589 0.020 . 1 . . . . . 94 ASP H . 50328 1 362 . 1 . 1 94 94 ASP C C 13 176.275 0.3 . 1 . . . . . 94 ASP C . 50328 1 363 . 1 . 1 94 94 ASP CA C 13 53.679 0.3 . 1 . . . . . 94 ASP CA . 50328 1 364 . 1 . 1 94 94 ASP CB C 13 40.545 0.3 . 1 . . . . . 94 ASP CB . 50328 1 365 . 1 . 1 94 94 ASP N N 15 118.996 0.3 . 1 . . . . . 94 ASP N . 50328 1 366 . 1 . 1 95 95 ALA H H 1 7.564 0.020 . 1 . . . . . 95 ALA H . 50328 1 367 . 1 . 1 95 95 ALA C C 13 179.049 0.3 . 1 . . . . . 95 ALA C . 50328 1 368 . 1 . 1 95 95 ALA CA C 13 55.889 0.3 . 1 . . . . . 95 ALA CA . 50328 1 369 . 1 . 1 95 95 ALA CB C 13 19.442 0.3 . 1 . . . . . 95 ALA CB . 50328 1 370 . 1 . 1 95 95 ALA N N 15 122.831 0.3 . 1 . . . . . 95 ALA N . 50328 1 371 . 1 . 1 96 96 ASP H H 1 8.533 0.020 . 1 . . . . . 96 ASP H . 50328 1 372 . 1 . 1 96 96 ASP C C 13 178.832 0.3 . 1 . . . . . 96 ASP C . 50328 1 373 . 1 . 1 96 96 ASP CA C 13 57.764 0.3 . 1 . . . . . 96 ASP CA . 50328 1 374 . 1 . 1 96 96 ASP CB C 13 40.448 0.3 . 1 . . . . . 96 ASP CB . 50328 1 375 . 1 . 1 96 96 ASP N N 15 116.411 0.3 . 1 . . . . . 96 ASP N . 50328 1 376 . 1 . 1 97 97 GLN H H 1 8.113 0.020 . 1 . . . . . 97 GLN H . 50328 1 377 . 1 . 1 97 97 GLN C C 13 178.688 0.3 . 1 . . . . . 97 GLN C . 50328 1 378 . 1 . 1 97 97 GLN CA C 13 58.801 0.3 . 1 . . . . . 97 GLN CA . 50328 1 379 . 1 . 1 97 97 GLN CB C 13 28.555 0.3 . 1 . . . . . 97 GLN CB . 50328 1 380 . 1 . 1 97 97 GLN N N 15 121.276 0.3 . 1 . . . . . 97 GLN N . 50328 1 381 . 1 . 1 98 98 GLN H H 1 8.317 0.020 . 1 . . . . . 98 GLN H . 50328 1 382 . 1 . 1 98 98 GLN C C 13 179.355 0.3 . 1 . . . . . 98 GLN C . 50328 1 383 . 1 . 1 98 98 GLN CA C 13 59.104 0.3 . 1 . . . . . 98 GLN CA . 50328 1 384 . 1 . 1 98 98 GLN CB C 13 28.838 0.3 . 1 . . . . . 98 GLN CB . 50328 1 385 . 1 . 1 98 98 GLN N N 15 120.137 0.3 . 1 . . . . . 98 GLN N . 50328 1 386 . 1 . 1 99 99 LYS H H 1 8.578 0.020 . 1 . . . . . 99 LYS H . 50328 1 387 . 1 . 1 99 99 LYS C C 13 179.049 0.3 . 1 . . . . . 99 LYS C . 50328 1 388 . 1 . 1 99 99 LYS CA C 13 60.642 0.3 . 1 . . . . . 99 LYS CA . 50328 1 389 . 1 . 1 99 99 LYS CB C 13 32.897 0.3 . 1 . . . . . 99 LYS CB . 50328 1 390 . 1 . 1 99 99 LYS N N 15 120.920 0.3 . 1 . . . . . 99 LYS N . 50328 1 391 . 1 . 1 100 100 THR H H 1 8.193 0.020 . 1 . . . . . 100 THR H . 50328 1 392 . 1 . 1 100 100 THR C C 13 176.815 0.3 . 1 . . . . . 100 THR C . 50328 1 393 . 1 . 1 100 100 THR CA C 13 66.738 0.3 . 1 . . . . . 100 THR CA . 50328 1 394 . 1 . 1 100 100 THR CB C 13 68.663 0.3 . 1 . . . . . 100 THR CB . 50328 1 395 . 1 . 1 100 100 THR N N 15 117.619 0.3 . 1 . . . . . 100 THR N . 50328 1 396 . 1 . 1 101 101 THR H H 1 8.542 0.020 . 1 . . . . . 101 THR H . 50328 1 397 . 1 . 1 101 101 THR C C 13 176.599 0.3 . 1 . . . . . 101 THR C . 50328 1 398 . 1 . 1 101 101 THR CA C 13 66.367 0.3 . 1 . . . . . 101 THR CA . 50328 1 399 . 1 . 1 101 101 THR CB C 13 68.617 0.3 . 1 . . . . . 101 THR CB . 50328 1 400 . 1 . 1 101 101 THR N N 15 119.792 0.3 . 1 . . . . . 101 THR N . 50328 1 401 . 1 . 1 102 102 PHE H H 1 8.326 0.020 . 1 . . . . . 102 PHE H . 50328 1 402 . 1 . 1 102 102 PHE C C 13 177.247 0.3 . 1 . . . . . 102 PHE C . 50328 1 403 . 1 . 1 102 102 PHE CA C 13 61.146 0.3 . 1 . . . . . 102 PHE CA . 50328 1 404 . 1 . 1 102 102 PHE CB C 13 38.807 0.3 . 1 . . . . . 102 PHE CB . 50328 1 405 . 1 . 1 102 102 PHE N N 15 122.785 0.3 . 1 . . . . . 102 PHE N . 50328 1 406 . 1 . 1 103 103 LYS H H 1 8.305 0.020 . 1 . . . . . 103 LYS H . 50328 1 407 . 1 . 1 103 103 LYS C C 13 178.022 0.3 . 1 . . . . . 103 LYS C . 50328 1 408 . 1 . 1 103 103 LYS CA C 13 60.609 0.3 . 1 . . . . . 103 LYS CA . 50328 1 409 . 1 . 1 103 103 LYS CB C 13 32.704 0.3 . 1 . . . . . 103 LYS CB . 50328 1 410 . 1 . 1 103 103 LYS N N 15 119.580 0.3 . 1 . . . . . 103 LYS N . 50328 1 411 . 1 . 1 104 104 GLN H H 1 7.692 0.020 . 1 . . . . . 104 GLN H . 50328 1 412 . 1 . 1 104 104 GLN C C 13 178.995 0.3 . 1 . . . . . 104 GLN C . 50328 1 413 . 1 . 1 104 104 GLN CA C 13 58.534 0.3 . 1 . . . . . 104 GLN CA . 50328 1 414 . 1 . 1 104 104 GLN CB C 13 28.638 0.3 . 1 . . . . . 104 GLN CB . 50328 1 415 . 1 . 1 104 104 GLN N N 15 116.596 0.3 . 1 . . . . . 104 GLN N . 50328 1 416 . 1 . 1 105 105 THR H H 1 8.270 0.020 . 1 . . . . . 105 THR H . 50328 1 417 . 1 . 1 105 105 THR C C 13 176.815 0.3 . 1 . . . . . 105 THR C . 50328 1 418 . 1 . 1 105 105 THR CA C 13 65.427 0.3 . 1 . . . . . 105 THR CA . 50328 1 419 . 1 . 1 105 105 THR CB C 13 69.049 0.3 . 1 . . . . . 105 THR CB . 50328 1 420 . 1 . 1 105 105 THR N N 15 117.179 0.3 . 1 . . . . . 105 THR N . 50328 1 421 . 1 . 1 106 106 VAL H H 1 8.093 0.020 . 1 . . . . . 106 VAL H . 50328 1 422 . 1 . 1 106 106 VAL C C 13 176.599 0.3 . 1 . . . . . 106 VAL C . 50328 1 423 . 1 . 1 106 106 VAL CA C 13 66.635 0.3 . 1 . . . . . 106 VAL CA . 50328 1 424 . 1 . 1 106 106 VAL CB C 13 31.434 0.3 . 1 . . . . . 106 VAL CB . 50328 1 425 . 1 . 1 106 106 VAL N N 15 122.165 0.3 . 1 . . . . . 106 VAL N . 50328 1 426 . 1 . 1 107 107 GLN H H 1 8.078 0.020 . 1 . . . . . 107 GLN H . 50328 1 427 . 1 . 1 107 107 GLN C C 13 179.085 0.3 . 1 . . . . . 107 GLN C . 50328 1 428 . 1 . 1 107 107 GLN CA C 13 59.539 0.3 . 1 . . . . . 107 GLN CA . 50328 1 429 . 1 . 1 107 107 GLN CB C 13 28.445 0.3 . 1 . . . . . 107 GLN CB . 50328 1 430 . 1 . 1 107 107 GLN N N 15 118.826 0.3 . 1 . . . . . 107 GLN N . 50328 1 431 . 1 . 1 108 108 GLY H H 1 8.154 0.020 . 1 . . . . . 108 GLY H . 50328 1 432 . 1 . 1 108 108 GLY C C 13 176.220 0.3 . 1 . . . . . 108 GLY C . 50328 1 433 . 1 . 1 108 108 GLY CA C 13 46.837 0.3 . 1 . . . . . 108 GLY CA . 50328 1 434 . 1 . 1 108 108 GLY N N 15 105.758 0.3 . 1 . . . . . 108 GLY N . 50328 1 435 . 1 . 1 109 109 ALA H H 1 8.118 0.020 . 1 . . . . . 109 ALA H . 50328 1 436 . 1 . 1 109 109 ALA C C 13 179.571 0.3 . 1 . . . . . 109 ALA C . 50328 1 437 . 1 . 1 109 109 ALA CA C 13 54.758 0.3 . 1 . . . . . 109 ALA CA . 50328 1 438 . 1 . 1 109 109 ALA CB C 13 19.442 0.3 . 1 . . . . . 109 ALA CB . 50328 1 439 . 1 . 1 109 109 ALA N N 15 124.439 0.3 . 1 . . . . . 109 ALA N . 50328 1 440 . 1 . 1 110 110 LEU H H 1 8.018 0.020 . 1 . . . . . 110 LEU H . 50328 1 441 . 1 . 1 110 110 LEU C C 13 179.211 0.3 . 1 . . . . . 110 LEU C . 50328 1 442 . 1 . 1 110 110 LEU CA C 13 56.223 0.3 . 1 . . . . . 110 LEU CA . 50328 1 443 . 1 . 1 110 110 LEU CB C 13 41.711 0.3 . 1 . . . . . 110 LEU CB . 50328 1 444 . 1 . 1 110 110 LEU N N 15 116.656 0.3 . 1 . . . . . 110 LEU N . 50328 1 445 . 1 . 1 111 111 SER H H 1 7.776 0.020 . 1 . . . . . 111 SER H . 50328 1 446 . 1 . 1 111 111 SER C C 13 175.716 0.3 . 1 . . . . . 111 SER C . 50328 1 447 . 1 . 1 111 111 SER CA C 13 60.945 0.3 . 1 . . . . . 111 SER CA . 50328 1 448 . 1 . 1 111 111 SER CB C 13 63.101 0.3 . 1 . . . . . 111 SER CB . 50328 1 449 . 1 . 1 111 111 SER N N 15 115.911 0.3 . 1 . . . . . 111 SER N . 50328 1 450 . 1 . 1 112 112 GLY H H 1 8.038 0.020 . 1 . . . . . 112 GLY H . 50328 1 451 . 1 . 1 112 112 GLY C C 13 174.527 0.3 . 1 . . . . . 112 GLY C . 50328 1 452 . 1 . 1 112 112 GLY CA C 13 45.385 0.3 . 1 . . . . . 112 GLY CA . 50328 1 453 . 1 . 1 112 112 GLY N N 15 108.921 0.3 . 1 . . . . . 112 GLY N . 50328 1 454 . 1 . 1 113 113 GLY H H 1 7.768 0.020 . 1 . . . . . 113 GLY H . 50328 1 455 . 1 . 1 113 113 GLY C C 13 173.572 0.3 . 1 . . . . . 113 GLY C . 50328 1 456 . 1 . 1 113 113 GLY CA C 13 44.784 0.3 . 1 . . . . . 113 GLY CA . 50328 1 457 . 1 . 1 113 113 GLY N N 15 108.727 0.3 . 1 . . . . . 113 GLY N . 50328 1 458 . 1 . 1 114 114 ILE H H 1 7.583 0.020 . 1 . . . . . 114 ILE H . 50328 1 459 . 1 . 1 114 114 ILE C C 13 176.311 0.3 . 1 . . . . . 114 ILE C . 50328 1 460 . 1 . 1 114 114 ILE CA C 13 60.969 0.3 . 1 . . . . . 114 ILE CA . 50328 1 461 . 1 . 1 114 114 ILE CB C 13 39.577 0.3 . 1 . . . . . 114 ILE CB . 50328 1 462 . 1 . 1 114 114 ILE N N 15 118.073 0.3 . 1 . . . . . 114 ILE N . 50328 1 463 . 1 . 1 115 115 ASP H H 1 8.167 0.020 . 1 . . . . . 115 ASP H . 50328 1 464 . 1 . 1 115 115 ASP C C 13 177.085 0.3 . 1 . . . . . 115 ASP C . 50328 1 465 . 1 . 1 115 115 ASP CA C 13 56.156 0.3 . 1 . . . . . 115 ASP CA . 50328 1 466 . 1 . 1 115 115 ASP CB C 13 40.545 0.3 . 1 . . . . . 115 ASP CB . 50328 1 467 . 1 . 1 115 115 ASP N N 15 122.956 0.3 . 1 . . . . . 115 ASP N . 50328 1 468 . 1 . 1 116 116 GLY H H 1 8.220 0.020 . 1 . . . . . 116 GLY H . 50328 1 469 . 1 . 1 116 116 GLY C C 13 174.293 0.3 . 1 . . . . . 116 GLY C . 50328 1 470 . 1 . 1 116 116 GLY CA C 13 45.385 0.3 . 1 . . . . . 116 GLY CA . 50328 1 471 . 1 . 1 116 116 GLY N N 15 108.628 0.3 . 1 . . . . . 116 GLY N . 50328 1 472 . 1 . 1 117 117 PHE H H 1 7.786 0.020 . 1 . . . . . 117 PHE H . 50328 1 473 . 1 . 1 117 117 PHE C C 13 175.734 0.3 . 1 . . . . . 117 PHE C . 50328 1 474 . 1 . 1 117 117 PHE CA C 13 58.549 0.3 . 1 . . . . . 117 PHE CA . 50328 1 475 . 1 . 1 117 117 PHE CB C 13 39.678 0.3 . 1 . . . . . 117 PHE CB . 50328 1 476 . 1 . 1 117 117 PHE N N 15 121.204 0.3 . 1 . . . . . 117 PHE N . 50328 1 477 . 1 . 1 118 118 GLY H H 1 8.166 0.020 . 1 . . . . . 118 GLY H . 50328 1 478 . 1 . 1 118 118 GLY C C 13 173.771 0.3 . 1 . . . . . 118 GLY C . 50328 1 479 . 1 . 1 118 118 GLY CA C 13 44.873 0.3 . 1 . . . . . 118 GLY CA . 50328 1 480 . 1 . 1 118 118 GLY N N 15 111.929 0.3 . 1 . . . . . 118 GLY N . 50328 1 481 . 1 . 1 119 119 SER H H 1 7.941 0.020 . 1 . . . . . 119 SER H . 50328 1 482 . 1 . 1 119 119 SER C C 13 174.185 0.3 . 1 . . . . . 119 SER C . 50328 1 483 . 1 . 1 119 119 SER CA C 13 58.700 0.3 . 1 . . . . . 119 SER CA . 50328 1 484 . 1 . 1 119 119 SER CB C 13 63.873 0.3 . 1 . . . . . 119 SER CB . 50328 1 485 . 1 . 1 119 119 SER N N 15 115.143 0.3 . 1 . . . . . 119 SER N . 50328 1 486 . 1 . 1 120 120 ASN H H 1 8.459 0.020 . 1 . . . . . 120 ASN H . 50328 1 487 . 1 . 1 120 120 ASN C C 13 175.014 0.3 . 1 . . . . . 120 ASN C . 50328 1 488 . 1 . 1 120 120 ASN CA C 13 53.846 0.3 . 1 . . . . . 120 ASN CA . 50328 1 489 . 1 . 1 120 120 ASN N N 15 120.082 0.3 . 1 . . . . . 120 ASN N . 50328 1 490 . 1 . 1 121 121 ASN CA C 13 53.500 0.3 . 1 . . . . . 121 ASN CA . 50328 1 491 . 1 . 1 121 121 ASN CB C 13 38.900 0.3 . 1 . . . . . 121 ASN CB . 50328 1 492 . 1 . 1 122 122 ALA H H 1 8.216 0.020 . 1 . . . . . 122 ALA H . 50328 1 493 . 1 . 1 122 122 ALA C C 13 177.301 0.3 . 1 . . . . . 122 ALA C . 50328 1 494 . 1 . 1 122 122 ALA CA C 13 53.032 0.3 . 1 . . . . . 122 ALA CA . 50328 1 495 . 1 . 1 122 122 ALA CB C 13 19.442 0.3 . 1 . . . . . 122 ALA CB . 50328 1 496 . 1 . 1 122 122 ALA N N 15 124.042 0.3 . 1 . . . . . 122 ALA N . 50328 1 497 . 1 . 1 123 123 VAL H H 1 8.129 0.020 . 1 . . . . . 123 VAL H . 50328 1 498 . 1 . 1 123 123 VAL C C 13 176.491 0.3 . 1 . . . . . 123 VAL C . 50328 1 499 . 1 . 1 123 123 VAL CA C 13 62.084 0.3 . 1 . . . . . 123 VAL CA . 50328 1 500 . 1 . 1 123 123 VAL CB C 13 33.091 0.3 . 1 . . . . . 123 VAL CB . 50328 1 501 . 1 . 1 123 123 VAL N N 15 119.132 0.3 . 1 . . . . . 123 VAL N . 50328 1 502 . 1 . 1 124 124 THR H H 1 8.305 0.020 . 1 . . . . . 124 THR H . 50328 1 503 . 1 . 1 124 124 THR C C 13 174.743 0.3 . 1 . . . . . 124 THR C . 50328 1 504 . 1 . 1 124 124 THR CA C 13 61.581 0.3 . 1 . . . . . 124 THR CA . 50328 1 505 . 1 . 1 124 124 THR CB C 13 69.972 0.3 . 1 . . . . . 124 THR CB . 50328 1 506 . 1 . 1 124 124 THR N N 15 117.260 0.3 . 1 . . . . . 124 THR N . 50328 1 507 . 1 . 1 125 125 THR H H 1 8.152 0.020 . 1 . . . . . 125 THR H . 50328 1 508 . 1 . 1 125 125 THR C C 13 174.509 0.3 . 1 . . . . . 125 THR C . 50328 1 509 . 1 . 1 125 125 THR CA C 13 61.830 0.3 . 1 . . . . . 125 THR CA . 50328 1 510 . 1 . 1 125 125 THR CB C 13 69.880 0.3 . 1 . . . . . 125 THR CB . 50328 1 511 . 1 . 1 125 125 THR N N 15 115.688 0.3 . 1 . . . . . 125 THR N . 50328 1 512 . 1 . 1 126 126 CYS H H 1 8.389 0.020 . 1 . . . . . 126 CYS H . 50328 1 513 . 1 . 1 126 126 CYS C C 13 175.014 0.3 . 1 . . . . . 126 CYS C . 50328 1 514 . 1 . 1 126 126 CYS CA C 13 58.668 0.3 . 1 . . . . . 126 CYS CA . 50328 1 515 . 1 . 1 126 126 CYS CB C 13 28.257 0.3 . 1 . . . . . 126 CYS CB . 50328 1 516 . 1 . 1 126 126 CYS N N 15 121.149 0.3 . 1 . . . . . 126 CYS N . 50328 1 517 . 1 . 1 127 127 GLY H H 1 8.492 0.020 . 1 . . . . . 127 GLY H . 50328 1 518 . 1 . 1 127 127 GLY C C 13 173.969 0.3 . 1 . . . . . 127 GLY C . 50328 1 519 . 1 . 1 127 127 GLY CA C 13 45.454 0.3 . 1 . . . . . 127 GLY CA . 50328 1 520 . 1 . 1 127 127 GLY N N 15 111.371 0.3 . 1 . . . . . 127 GLY N . 50328 1 521 . 1 . 1 128 128 ASN H H 1 8.411 0.020 . 1 . . . . . 128 ASN H . 50328 1 522 . 1 . 1 128 128 ASN C C 13 175.788 0.3 . 1 . . . . . 128 ASN C . 50328 1 523 . 1 . 1 128 128 ASN CA C 13 53.636 0.3 . 1 . . . . . 128 ASN CA . 50328 1 524 . 1 . 1 128 128 ASN CB C 13 39.291 0.3 . 1 . . . . . 128 ASN CB . 50328 1 525 . 1 . 1 128 128 ASN N N 15 118.773 0.3 . 1 . . . . . 128 ASN N . 50328 1 526 . 1 . 1 129 129 GLY H H 1 8.477 0.020 . 1 . . . . . 129 GLY H . 50328 1 527 . 1 . 1 129 129 GLY C C 13 173.464 0.3 . 1 . . . . . 129 GLY C . 50328 1 528 . 1 . 1 129 129 GLY CA C 13 45.481 0.3 . 1 . . . . . 129 GLY CA . 50328 1 529 . 1 . 1 129 129 GLY N N 15 109.960 0.3 . 1 . . . . . 129 GLY N . 50328 1 530 . 1 . 1 130 130 SER H H 1 7.858 0.020 . 1 . . . . . 130 SER H . 50328 1 531 . 1 . 1 130 130 SER C C 13 178.652 0.3 . 1 . . . . . 130 SER C . 50328 1 532 . 1 . 1 130 130 SER CA C 13 60.001 0.3 . 1 . . . . . 130 SER CA . 50328 1 533 . 1 . 1 130 130 SER CB C 13 65.037 0.3 . 1 . . . . . 130 SER CB . 50328 1 534 . 1 . 1 130 130 SER N N 15 121.301 0.3 . 1 . . . . . 130 SER N . 50328 1 stop_ save_