################################### # 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 27449 _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 . _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' . . . 27449 1 2 '3D HNCA' . . . 27449 1 3 '3D HNCO' . . . 27449 1 4 '3D HN(CO)CA' . . . 27449 1 5 '3D HN(CA)CO' . . . 27449 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY H H 1 7.690 0.03 . 1 . . . . . 1 G HN . 27449 1 2 . 1 1 1 1 GLY N N 15 106.193 0.40 . 1 . . . . . 1 G N . 27449 1 3 . 1 1 2 2 THR H H 1 8.668 0.03 . 1 . . . . . 2 T HN . 27449 1 4 . 1 1 2 2 THR C C 13 175.474 0.40 . 1 . . . . . 2 T C . 27449 1 5 . 1 1 2 2 THR CA C 13 62.014 0.03 . 1 . . . . . 2 T CA . 27449 1 6 . 1 1 2 2 THR N N 15 113.808 0.40 . 1 . . . . . 2 T N . 27449 1 7 . 1 1 3 3 LYS H H 1 8.863 0.03 . 1 . . . . . 3 K HN . 27449 1 8 . 1 1 3 3 LYS C C 13 178.885 0.40 . 1 . . . . . 3 K C . 27449 1 9 . 1 1 3 3 LYS CA C 13 59.462 0.03 . 1 . . . . . 3 K CA . 27449 1 10 . 1 1 3 3 LYS N N 15 122.051 0.40 . 1 . . . . . 3 K N . 27449 1 11 . 1 1 4 4 GLN H H 1 8.417 0.03 . 1 . . . . . 4 Q HN . 27449 1 12 . 1 1 4 4 GLN C C 13 178.908 0.40 . 1 . . . . . 4 Q C . 27449 1 13 . 1 1 4 4 GLN CA C 13 59.306 0.03 . 1 . . . . . 4 Q CA . 27449 1 14 . 1 1 4 4 GLN N N 15 119.082 0.40 . 1 . . . . . 4 Q N . 27449 1 15 . 1 1 5 5 GLU H H 1 7.846 0.03 . 1 . . . . . 5 E HN . 27449 1 16 . 1 1 5 5 GLU C C 13 177.897 0.40 . 1 . . . . . 5 E C . 27449 1 17 . 1 1 5 5 GLU CA C 13 59.119 0.03 . 1 . . . . . 5 E CA . 27449 1 18 . 1 1 5 5 GLU N N 15 121.609 0.40 . 1 . . . . . 5 E N . 27449 1 19 . 1 1 6 6 LYS H H 1 8.137 0.03 . 1 . . . . . 6 K HN . 27449 1 20 . 1 1 6 6 LYS C C 13 178.984 0.40 . 1 . . . . . 6 K C . 27449 1 21 . 1 1 6 6 LYS CA C 13 58.824 0.03 . 1 . . . . . 6 K CA . 27449 1 22 . 1 1 6 6 LYS N N 15 118.832 0.40 . 1 . . . . . 6 K N . 27449 1 23 . 1 1 7 7 THR H H 1 8.204 0.03 . 1 . . . . . 7 T HN . 27449 1 24 . 1 1 7 7 THR CA C 13 66.323 0.03 . 1 . . . . . 7 T CA . 27449 1 25 . 1 1 7 7 THR N N 15 116.159 0.40 . 1 . . . . . 7 T N . 27449 1 26 . 1 1 8 8 ALA H H 1 7.733 0.03 . 1 . . . . . 8 A HN . 27449 1 27 . 1 1 8 8 ALA C C 13 178.591 0.40 . 1 . . . . . 8 A C . 27449 1 28 . 1 1 8 8 ALA CA C 13 55.502 0.03 . 1 . . . . . 8 A CA . 27449 1 29 . 1 1 8 8 ALA N N 15 123.856 0.40 . 1 . . . . . 8 A N . 27449 1 30 . 1 1 9 9 LEU H H 1 8.063 0.03 . 1 . . . . . 9 L HN . 27449 1 31 . 1 1 9 9 LEU C C 13 178.445 0.40 . 1 . . . . . 9 L C . 27449 1 32 . 1 1 9 9 LEU CA C 13 58.605 0.03 . 1 . . . . . 9 L CA . 27449 1 33 . 1 1 9 9 LEU N N 15 118.744 0.40 . 1 . . . . . 9 L N . 27449 1 34 . 1 1 10 10 ASN H H 1 8.679 0.03 . 1 . . . . . 10 N HN . 27449 1 35 . 1 1 10 10 ASN C C 13 178.812 0.40 . 1 . . . . . 10 N C . 27449 1 36 . 1 1 10 10 ASN CA C 13 56.126 0.03 . 1 . . . . . 10 N CA . 27449 1 37 . 1 1 10 10 ASN N N 15 117.780 0.40 . 1 . . . . . 10 N N . 27449 1 38 . 1 1 11 11 MET H H 1 8.591 0.03 . 1 . . . . . 11 M HN . 27449 1 39 . 1 1 11 11 MET C C 13 178.240 0.40 . 1 . . . . . 11 M C . 27449 1 40 . 1 1 11 11 MET CA C 13 59.788 0.03 . 1 . . . . . 11 M CA . 27449 1 41 . 1 1 11 11 MET N N 15 120.931 0.40 . 1 . . . . . 11 M N . 27449 1 42 . 1 1 12 12 ALA H H 1 8.567 0.03 . 1 . . . . . 12 A HN . 27449 1 43 . 1 1 12 12 ALA C C 13 180.246 0.40 . 1 . . . . . 12 A C . 27449 1 44 . 1 1 12 12 ALA CA C 13 55.497 0.03 . 1 . . . . . 12 A CA . 27449 1 45 . 1 1 12 12 ALA N N 15 122.069 0.40 . 1 . . . . . 12 A N . 27449 1 46 . 1 1 13 13 ARG H H 1 8.673 0.03 . 1 . . . . . 13 R HN . 27449 1 47 . 1 1 13 13 ARG C C 13 178.355 0.40 . 1 . . . . . 13 R C . 27449 1 48 . 1 1 13 13 ARG CA C 13 60.068 0.03 . 1 . . . . . 13 R CA . 27449 1 49 . 1 1 13 13 ARG N N 15 121.177 0.40 . 1 . . . . . 13 R N . 27449 1 50 . 1 1 14 14 PHE H H 1 8.534 0.03 . 1 . . . . . 14 F HN . 27449 1 51 . 1 1 14 14 PHE C C 13 178.319 0.40 . 1 . . . . . 14 F C . 27449 1 52 . 1 1 14 14 PHE CA C 13 60.608 0.03 . 1 . . . . . 14 F CA . 27449 1 53 . 1 1 14 14 PHE N N 15 121.881 0.40 . 1 . . . . . 14 F N . 27449 1 54 . 1 1 15 15 ILE H H 1 8.814 0.03 . 1 . . . . . 15 I HN . 27449 1 55 . 1 1 15 15 ILE C C 13 178.287 0.40 . 1 . . . . . 15 I C . 27449 1 56 . 1 1 15 15 ILE CA C 13 65.907 0.03 . 1 . . . . . 15 I CA . 27449 1 57 . 1 1 15 15 ILE N N 15 120.264 0.40 . 1 . . . . . 15 I N . 27449 1 58 . 1 1 16 16 ARG H H 1 7.938 0.03 . 1 . . . . . 16 R HN . 27449 1 59 . 1 1 16 16 ARG C C 13 177.710 0.40 . 1 . . . . . 16 R C . 27449 1 60 . 1 1 16 16 ARG CA C 13 60.731 0.03 . 1 . . . . . 16 R CA . 27449 1 61 . 1 1 16 16 ARG N N 15 119.617 0.40 . 1 . . . . . 16 R N . 27449 1 62 . 1 1 17 17 SER H H 1 8.111 0.03 . 1 . . . . . 17 S HN . 27449 1 63 . 1 1 17 17 SER C C 13 177.351 0.40 . 1 . . . . . 17 S C . 27449 1 64 . 1 1 17 17 SER CA C 13 61.799 0.03 . 1 . . . . . 17 S CA . 27449 1 65 . 1 1 17 17 SER N N 15 115.572 0.40 . 1 . . . . . 17 S N . 27449 1 66 . 1 1 18 18 GLN H H 1 8.791 0.03 . 1 . . . . . 18 Q HN . 27449 1 67 . 1 1 18 18 GLN C C 13 178.927 0.40 . 1 . . . . . 18 Q C . 27449 1 68 . 1 1 18 18 GLN CA C 13 58.693 0.03 . 1 . . . . . 18 Q CA . 27449 1 69 . 1 1 18 18 GLN N N 15 121.955 0.40 . 1 . . . . . 18 Q N . 27449 1 70 . 1 1 19 19 THR H H 1 8.493 0.03 . 1 . . . . . 19 T HN . 27449 1 71 . 1 1 19 19 THR C C 13 177.192 0.40 . 1 . . . . . 19 T C . 27449 1 72 . 1 1 19 19 THR CA C 13 65.872 0.03 . 1 . . . . . 19 T CA . 27449 1 73 . 1 1 19 19 THR N N 15 109.434 0.40 . 1 . . . . . 19 T N . 27449 1 74 . 1 1 20 20 LEU H H 1 7.270 0.03 . 1 . . . . . 20 L HN . 27449 1 75 . 1 1 20 20 LEU C C 13 178.067 0.40 . 1 . . . . . 20 L C . 27449 1 76 . 1 1 20 20 LEU CA C 13 57.912 0.03 . 1 . . . . . 20 L CA . 27449 1 77 . 1 1 20 20 LEU N N 15 124.827 0.40 . 1 . . . . . 20 L N . 27449 1 78 . 1 1 21 21 THR H H 1 7.801 0.03 . 1 . . . . . 21 T HN . 27449 1 79 . 1 1 21 21 THR C C 13 176.325 0.40 . 1 . . . . . 21 T C . 27449 1 80 . 1 1 21 21 THR CA C 13 66.546 0.03 . 1 . . . . . 21 T CA . 27449 1 81 . 1 1 21 21 THR N N 15 117.104 0.40 . 1 . . . . . 21 T N . 27449 1 82 . 1 1 22 22 LEU H H 1 8.313 0.03 . 1 . . . . . 22 L HN . 27449 1 83 . 1 1 22 22 LEU C C 13 177.457 0.40 . 1 . . . . . 22 L C . 27449 1 84 . 1 1 22 22 LEU CA C 13 58.038 0.03 . 1 . . . . . 22 L CA . 27449 1 85 . 1 1 22 22 LEU N N 15 121.869 0.40 . 1 . . . . . 22 L N . 27449 1 86 . 1 1 23 23 LEU H H 1 7.835 0.03 . 1 . . . . . 23 L HN . 27449 1 87 . 1 1 23 23 LEU C C 13 177.576 0.40 . 1 . . . . . 23 L C . 27449 1 88 . 1 1 23 23 LEU CA C 13 59.108 0.03 . 1 . . . . . 23 L CA . 27449 1 89 . 1 1 23 23 LEU N N 15 120.958 0.40 . 1 . . . . . 23 L N . 27449 1 90 . 1 1 24 24 GLU H H 1 7.964 0.03 . 1 . . . . . 24 E HN . 27449 1 91 . 1 1 24 24 GLU C C 13 180.105 0.40 . 1 . . . . . 24 E C . 27449 1 92 . 1 1 24 24 GLU CA C 13 59.730 0.03 . 1 . . . . . 24 E CA . 27449 1 93 . 1 1 24 24 GLU N N 15 117.846 0.40 . 1 . . . . . 24 E N . 27449 1 94 . 1 1 25 25 LYS H H 1 8.250 0.03 . 1 . . . . . 25 K HN . 27449 1 95 . 1 1 25 25 LYS C C 13 180.015 0.40 . 1 . . . . . 25 K C . 27449 1 96 . 1 1 25 25 LYS CA C 13 58.504 0.03 . 1 . . . . . 25 K CA . 27449 1 97 . 1 1 25 25 LYS N N 15 119.163 0.40 . 1 . . . . . 25 K N . 27449 1 98 . 1 1 26 26 LEU H H 1 8.680 0.03 . 1 . . . . . 26 L HN . 27449 1 99 . 1 1 26 26 LEU C C 13 179.130 0.40 . 1 . . . . . 26 L C . 27449 1 100 . 1 1 26 26 LEU CA C 13 58.011 0.03 . 1 . . . . . 26 L CA . 27449 1 101 . 1 1 26 26 LEU N N 15 119.614 0.40 . 1 . . . . . 26 L N . 27449 1 102 . 1 1 27 27 ASN H H 1 8.451 0.03 . 1 . . . . . 27 N HN . 27449 1 103 . 1 1 27 27 ASN C C 13 179.075 0.40 . 1 . . . . . 27 N C . 27449 1 104 . 1 1 27 27 ASN CA C 13 55.908 0.03 . 1 . . . . . 27 N CA . 27449 1 105 . 1 1 27 27 ASN N N 15 118.856 0.40 . 1 . . . . . 27 N N . 27449 1 106 . 1 1 28 28 GLU H H 1 7.920 0.03 . 1 . . . . . 28 E HN . 27449 1 107 . 1 1 28 28 GLU C C 13 177.761 0.40 . 1 . . . . . 28 E C . 27449 1 108 . 1 1 28 28 GLU CA C 13 58.534 0.03 . 1 . . . . . 28 E CA . 27449 1 109 . 1 1 28 28 GLU N N 15 121.024 0.40 . 1 . . . . . 28 E N . 27449 1 110 . 1 1 29 29 LEU H H 1 7.268 0.03 . 1 . . . . . 29 L HN . 27449 1 111 . 1 1 29 29 LEU C C 13 175.601 0.40 . 1 . . . . . 29 L C . 27449 1 112 . 1 1 29 29 LEU CA C 13 54.566 0.03 . 1 . . . . . 29 L CA . 27449 1 113 . 1 1 29 29 LEU N N 15 118.403 0.40 . 1 . . . . . 29 L N . 27449 1 114 . 1 1 30 30 ASP H H 1 8.193 0.03 . 1 . . . . . 30 D HN . 27449 1 115 . 1 1 30 30 ASP C C 13 175.215 0.40 . 1 . . . . . 30 D C . 27449 1 116 . 1 1 30 30 ASP CA C 13 54.865 0.03 . 1 . . . . . 30 D CA . 27449 1 117 . 1 1 30 30 ASP N N 15 118.508 0.40 . 1 . . . . . 30 D N . 27449 1 118 . 1 1 31 31 ALA H H 1 7.889 0.03 . 1 . . . . . 31 A HN . 27449 1 119 . 1 1 31 31 ALA C C 13 176.642 0.40 . 1 . . . . . 31 A C . 27449 1 120 . 1 1 31 31 ALA CA C 13 50.265 0.03 . 1 . . . . . 31 A CA . 27449 1 121 . 1 1 31 31 ALA N N 15 123.404 0.40 . 1 . . . . . 31 A N . 27449 1 122 . 1 1 32 32 ASP H H 1 8.081 0.03 . 1 . . . . . 32 D HN . 27449 1 123 . 1 1 32 32 ASP C C 13 178.079 0.40 . 1 . . . . . 32 D C . 27449 1 124 . 1 1 32 32 ASP CA C 13 58.631 0.03 . 1 . . . . . 32 D CA . 27449 1 125 . 1 1 32 32 ASP N N 15 121.596 0.40 . 1 . . . . . 32 D N . 27449 1 126 . 1 1 33 33 GLU H H 1 8.965 0.03 . 1 . . . . . 33 E HN . 27449 1 127 . 1 1 33 33 GLU C C 13 178.844 0.40 . 1 . . . . . 33 E C . 27449 1 128 . 1 1 33 33 GLU CA C 13 59.739 0.03 . 1 . . . . . 33 E CA . 27449 1 129 . 1 1 33 33 GLU N N 15 119.403 0.40 . 1 . . . . . 33 E N . 27449 1 130 . 1 1 34 34 GLN H H 1 7.335 0.03 . 1 . . . . . 34 Q HN . 27449 1 131 . 1 1 34 34 GLN C C 13 177.377 0.40 . 1 . . . . . 34 Q C . 27449 1 132 . 1 1 34 34 GLN CA C 13 60.530 0.03 . 1 . . . . . 34 Q CA . 27449 1 133 . 1 1 34 34 GLN N N 15 117.635 0.40 . 1 . . . . . 34 Q N . 27449 1 134 . 1 1 35 35 ALA H H 1 9.076 0.03 . 1 . . . . . 35 A HN . 27449 1 135 . 1 1 35 35 ALA C C 13 179.027 0.40 . 1 . . . . . 35 A C . 27449 1 136 . 1 1 35 35 ALA CA C 13 55.502 0.03 . 1 . . . . . 35 A CA . 27449 1 137 . 1 1 35 35 ALA N N 15 123.537 0.40 . 1 . . . . . 35 A N . 27449 1 138 . 1 1 36 36 ASP H H 1 7.998 0.03 . 1 . . . . . 36 D HN . 27449 1 139 . 1 1 36 36 ASP C C 13 179.761 0.40 . 1 . . . . . 36 D C . 27449 1 140 . 1 1 36 36 ASP CA C 13 57.871 0.03 . 1 . . . . . 36 D CA . 27449 1 141 . 1 1 36 36 ASP N N 15 118.295 0.40 . 1 . . . . . 36 D N . 27449 1 142 . 1 1 37 37 ILE H H 1 7.269 0.03 . 1 . . . . . 37 I HN . 27449 1 143 . 1 1 37 37 ILE C C 13 178.334 0.40 . 1 . . . . . 37 I C . 27449 1 144 . 1 1 37 37 ILE CA C 13 64.756 0.03 . 1 . . . . . 37 I CA . 27449 1 145 . 1 1 37 37 ILE N N 15 120.171 0.40 . 1 . . . . . 37 I N . 27449 1 146 . 1 1 38 38 ALA H H 1 8.782 0.03 . 1 . . . . . 38 A HN . 27449 1 147 . 1 1 38 38 ALA C C 13 179.411 0.40 . 1 . . . . . 38 A C . 27449 1 148 . 1 1 38 38 ALA CA C 13 55.114 0.03 . 1 . . . . . 38 A CA . 27449 1 149 . 1 1 38 38 ALA N N 15 123.087 0.40 . 1 . . . . . 38 A N . 27449 1 150 . 1 1 39 39 GLU H H 1 8.984 0.03 . 1 . . . . . 39 E HN . 27449 1 151 . 1 1 39 39 GLU C C 13 178.565 0.40 . 1 . . . . . 39 E C . 27449 1 152 . 1 1 39 39 GLU CA C 13 60.223 0.03 . 1 . . . . . 39 E CA . 27449 1 153 . 1 1 39 39 GLU N N 15 122.223 0.40 . 1 . . . . . 39 E N . 27449 1 154 . 1 1 40 40 SER H H 1 7.463 0.03 . 1 . . . . . 40 S HN . 27449 1 155 . 1 1 40 40 SER C C 13 178.209 0.40 . 1 . . . . . 40 S C . 27449 1 156 . 1 1 40 40 SER CA C 13 61.044 0.03 . 1 . . . . . 40 S CA . 27449 1 157 . 1 1 40 40 SER N N 15 114.759 0.40 . 1 . . . . . 40 S N . 27449 1 158 . 1 1 41 41 LEU H H 1 9.087 0.03 . 1 . . . . . 41 L HN . 27449 1 159 . 1 1 41 41 LEU C C 13 177.992 0.40 . 1 . . . . . 41 L C . 27449 1 160 . 1 1 41 41 LEU CA C 13 58.052 0.03 . 1 . . . . . 41 L CA . 27449 1 161 . 1 1 41 41 LEU N N 15 124.569 0.40 . 1 . . . . . 41 L N . 27449 1 162 . 1 1 42 42 HIS H H 1 8.543 0.03 . 1 . . . . . 42 H HN . 27449 1 163 . 1 1 42 42 HIS C C 13 176.708 0.40 . 1 . . . . . 42 H C . 27449 1 164 . 1 1 42 42 HIS CA C 13 59.567 0.03 . 1 . . . . . 42 H CA . 27449 1 165 . 1 1 42 42 HIS N N 15 119.130 0.40 . 1 . . . . . 42 H N . 27449 1 166 . 1 1 43 43 ASP H H 1 7.962 0.03 . 1 . . . . . 43 D HN . 27449 1 167 . 1 1 43 43 ASP C C 13 178.737 0.40 . 1 . . . . . 43 D C . 27449 1 168 . 1 1 43 43 ASP CA C 13 57.721 0.03 . 1 . . . . . 43 D CA . 27449 1 169 . 1 1 43 43 ASP N N 15 120.510 0.40 . 1 . . . . . 43 D N . 27449 1 170 . 1 1 44 44 HIS H H 1 8.446 0.03 . 1 . . . . . 44 H HN . 27449 1 171 . 1 1 44 44 HIS C C 13 177.499 0.40 . 1 . . . . . 44 H C . 27449 1 172 . 1 1 44 44 HIS CA C 13 56.929 0.03 . 1 . . . . . 44 H CA . 27449 1 173 . 1 1 44 44 HIS N N 15 122.810 0.40 . 1 . . . . . 44 H N . 27449 1 174 . 1 1 45 45 ALA H H 1 9.039 0.03 . 1 . . . . . 45 A HN . 27449 1 175 . 1 1 45 45 ALA C C 13 180.907 0.40 . 1 . . . . . 45 A C . 27449 1 176 . 1 1 45 45 ALA CA C 13 54.790 0.03 . 1 . . . . . 45 A CA . 27449 1 177 . 1 1 45 45 ALA N N 15 123.074 0.40 . 1 . . . . . 45 A N . 27449 1 178 . 1 1 46 46 ASP H H 1 8.540 0.03 . 1 . . . . . 46 D HN . 27449 1 179 . 1 1 46 46 ASP C C 13 177.096 0.40 . 1 . . . . . 46 D C . 27449 1 180 . 1 1 46 46 ASP CA C 13 58.354 0.03 . 1 . . . . . 46 D CA . 27449 1 181 . 1 1 46 46 ASP N N 15 121.761 0.40 . 1 . . . . . 46 D N . 27449 1 182 . 1 1 47 47 GLU H H 1 8.170 0.03 . 1 . . . . . 47 E HN . 27449 1 183 . 1 1 47 47 GLU C C 13 180.180 0.40 . 1 . . . . . 47 E C . 27449 1 184 . 1 1 47 47 GLU CA C 13 59.966 0.03 . 1 . . . . . 47 E CA . 27449 1 185 . 1 1 47 47 GLU N N 15 120.539 0.40 . 1 . . . . . 47 E N . 27449 1 186 . 1 1 48 48 LEU H H 1 8.143 0.03 . 1 . . . . . 48 L HN . 27449 1 187 . 1 1 48 48 LEU C C 13 177.810 0.40 . 1 . . . . . 48 L C . 27449 1 188 . 1 1 48 48 LEU CA C 13 58.189 0.03 . 1 . . . . . 48 L CA . 27449 1 189 . 1 1 48 48 LEU N N 15 118.918 0.40 . 1 . . . . . 48 L N . 27449 1 190 . 1 1 49 49 TYR H H 1 8.569 0.03 . 1 . . . . . 49 Y HN . 27449 1 191 . 1 1 49 49 TYR C C 13 175.909 0.40 . 1 . . . . . 49 Y C . 27449 1 192 . 1 1 49 49 TYR CA C 13 61.927 0.03 . 1 . . . . . 49 Y CA . 27449 1 193 . 1 1 49 49 TYR N N 15 119.510 0.40 . 1 . . . . . 49 Y N . 27449 1 194 . 1 1 50 50 ARG H H 1 8.715 0.03 . 1 . . . . . 50 R HN . 27449 1 195 . 1 1 50 50 ARG C C 13 179.083 0.40 . 1 . . . . . 50 R C . 27449 1 196 . 1 1 50 50 ARG CA C 13 60.174 0.03 . 1 . . . . . 50 R CA . 27449 1 197 . 1 1 50 50 ARG N N 15 116.684 0.40 . 1 . . . . . 50 R N . 27449 1 198 . 1 1 51 51 SER H H 1 7.743 0.03 . 1 . . . . . 51 S HN . 27449 1 199 . 1 1 51 51 SER C C 13 178.434 0.40 . 1 . . . . . 51 S C . 27449 1 200 . 1 1 51 51 SER CA C 13 61.358 0.03 . 1 . . . . . 51 S CA . 27449 1 201 . 1 1 51 51 SER N N 15 114.624 0.40 . 1 . . . . . 51 S N . 27449 1 202 . 1 1 52 52 VAL H H 1 8.669 0.03 . 1 . . . . . 52 V HN . 27449 1 203 . 1 1 52 52 VAL C C 13 177.200 0.40 . 1 . . . . . 52 V C . 27449 1 204 . 1 1 52 52 VAL CA C 13 66.823 0.03 . 1 . . . . . 52 V CA . 27449 1 205 . 1 1 52 52 VAL N N 15 119.696 0.40 . 1 . . . . . 52 V N . 27449 1 206 . 1 1 53 53 LEU H H 1 8.769 0.03 . 1 . . . . . 53 L HN . 27449 1 207 . 1 1 53 53 LEU C C 13 179.493 0.40 . 1 . . . . . 53 L C . 27449 1 208 . 1 1 53 53 LEU CA C 13 58.147 0.03 . 1 . . . . . 53 L CA . 27449 1 209 . 1 1 53 53 LEU N N 15 122.590 0.40 . 1 . . . . . 53 L N . 27449 1 210 . 1 1 54 54 ALA H H 1 7.699 0.03 . 1 . . . . . 54 A HN . 27449 1 211 . 1 1 54 54 ALA C C 13 178.866 0.40 . 1 . . . . . 54 A C . 27449 1 212 . 1 1 54 54 ALA CA C 13 54.506 0.03 . 1 . . . . . 54 A CA . 27449 1 213 . 1 1 54 54 ALA N N 15 120.185 0.40 . 1 . . . . . 54 A N . 27449 1 214 . 1 1 55 55 ARG H H 1 7.272 0.03 . 1 . . . . . 55 R HN . 27449 1 215 . 1 1 55 55 ARG C C 13 177.728 0.40 . 1 . . . . . 55 R C . 27449 1 216 . 1 1 55 55 ARG CA C 13 57.714 0.03 . 1 . . . . . 55 R CA . 27449 1 217 . 1 1 55 55 ARG N N 15 116.664 0.40 . 1 . . . . . 55 R N . 27449 1 218 . 1 1 56 56 PHE H H 1 8.368 0.03 . 1 . . . . . 56 F HN . 27449 1 219 . 1 1 56 56 PHE C C 13 176.920 0.40 . 1 . . . . . 56 F C . 27449 1 220 . 1 1 56 56 PHE CA C 13 56.653 0.03 . 1 . . . . . 56 F CA . 27449 1 221 . 1 1 56 56 PHE N N 15 114.269 0.40 . 1 . . . . . 56 F N . 27449 1 222 . 1 1 57 57 GLY H H 1 8.242 0.03 . 1 . . . . . 57 G HN . 27449 1 223 . 1 1 57 57 GLY C C 13 172.417 0.40 . 1 . . . . . 57 G C . 27449 1 224 . 1 1 57 57 GLY CA C 13 45.361 0.03 . 1 . . . . . 57 G CA . 27449 1 225 . 1 1 57 57 GLY N N 15 109.405 0.40 . 1 . . . . . 57 G N . 27449 1 226 . 1 1 58 58 ASP H H 1 8.267 0.03 . 1 . . . . . 58 D HN . 27449 1 227 . 1 1 58 58 ASP C C 13 176.353 0.40 . 1 . . . . . 58 D C . 27449 1 228 . 1 1 58 58 ASP CA C 13 53.793 0.03 . 1 . . . . . 58 D CA . 27449 1 229 . 1 1 58 58 ASP N N 15 118.627 0.40 . 1 . . . . . 58 D N . 27449 1 230 . 1 1 59 59 ASP H H 1 8.510 0.03 . 1 . . . . . 59 D HN . 27449 1 231 . 1 1 59 59 ASP C C 13 177.108 0.40 . 1 . . . . . 59 D C . 27449 1 232 . 1 1 59 59 ASP CA C 13 54.630 0.03 . 1 . . . . . 59 D CA . 27449 1 233 . 1 1 59 59 ASP N N 15 121.569 0.40 . 1 . . . . . 59 D N . 27449 1 234 . 1 1 60 60 GLY H H 1 8.497 0.03 . 1 . . . . . 60 G HN . 27449 1 235 . 1 1 60 60 GLY C C 13 174.476 0.40 . 1 . . . . . 60 G C . 27449 1 236 . 1 1 60 60 GLY CA C 13 45.697 0.03 . 1 . . . . . 60 G CA . 27449 1 237 . 1 1 60 60 GLY N N 15 109.214 0.40 . 1 . . . . . 60 G N . 27449 1 238 . 1 1 61 61 GLU H H 1 8.217 0.03 . 1 . . . . . 61 E HN . 27449 1 239 . 1 1 61 61 GLU C C 13 176.222 0.40 . 1 . . . . . 61 E C . 27449 1 240 . 1 1 61 61 GLU CA C 13 56.631 0.03 . 1 . . . . . 61 E CA . 27449 1 241 . 1 1 61 61 GLU N N 15 120.155 0.40 . 1 . . . . . 61 E N . 27449 1 242 . 1 1 62 62 ASN H H 1 8.520 0.03 . 1 . . . . . 62 N HN . 27449 1 243 . 1 1 62 62 ASN C C 13 174.019 0.40 . 1 . . . . . 62 N C . 27449 1 244 . 1 1 62 62 ASN CA C 13 53.367 0.03 . 1 . . . . . 62 N CA . 27449 1 245 . 1 1 62 62 ASN N N 15 119.799 0.40 . 1 . . . . . 62 N N . 27449 1 246 . 1 1 63 63 LEU H H 1 7.831 0.03 . 1 . . . . . 63 L HN . 27449 1 247 . 1 1 63 63 LEU C C 13 182.544 0.40 . 1 . . . . . 63 L C . 27449 1 248 . 1 1 63 63 LEU CA C 13 56.861 0.03 . 1 . . . . . 63 L CA . 27449 1 249 . 1 1 63 63 LEU N N 15 127.774 0.40 . 1 . . . . . 63 L N . 27449 1 stop_ save_