################################### # 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 27997 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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-1H TOCSY' . . . 27997 1 2 '3D HNCA' . . . 27997 1 3 '3D HNCACB' . . . 27997 1 4 '3D HN(CO)CA' . . . 27997 1 5 '3D 1H-15N NOESY' . . . 27997 1 6 '3D 1H-13C NOESY aliphatic' . . . 27997 1 7 '2D 1H-13C HSQC' . . . 27997 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 4 4 ASN H H 1 8.294 0.002 . 1 . . . . . 4 ASN H . 27997 1 2 . 1 . 1 4 4 ASN CA C 13 53.385 0.3 . 1 . . . . . 4 ASN CA . 27997 1 3 . 1 . 1 4 4 ASN CB C 13 38.396 0.3 . 1 . . . . . 4 ASN CB . 27997 1 4 . 1 . 1 4 4 ASN N N 15 120.716 0.2 . 1 . . . . . 4 ASN N . 27997 1 5 . 1 . 1 5 5 TYR H H 1 8.113 0.002 . 1 . . . . . 5 TYR H . 27997 1 6 . 1 . 1 5 5 TYR CA C 13 59.928 0.3 . 1 . . . . . 5 TYR CA . 27997 1 7 . 1 . 1 5 5 TYR CB C 13 38.516 0.3 . 1 . . . . . 5 TYR CB . 27997 1 8 . 1 . 1 5 5 TYR N N 15 121.927 0.2 . 1 . . . . . 5 TYR N . 27997 1 9 . 1 . 1 6 6 ASP H H 1 8.123 0.002 . 1 . . . . . 6 ASP H . 27997 1 10 . 1 . 1 6 6 ASP CA C 13 56.089 0.3 . 1 . . . . . 6 ASP CA . 27997 1 11 . 1 . 1 6 6 ASP CB C 13 40.84 0.3 . 1 . . . . . 6 ASP CB . 27997 1 12 . 1 . 1 6 6 ASP N N 15 120.594 0.2 . 1 . . . . . 6 ASP N . 27997 1 13 . 1 . 1 7 7 LEU H H 1 7.72 0.002 . 1 . . . . . 7 LEU H . 27997 1 14 . 1 . 1 7 7 LEU HD11 H 1 0.91 0.002 . 1 . . . . . 7 LEU HD11 . 27997 1 15 . 1 . 1 7 7 LEU HD12 H 1 0.91 0.002 . 1 . . . . . 7 LEU HD12 . 27997 1 16 . 1 . 1 7 7 LEU HD13 H 1 0.91 0.002 . 1 . . . . . 7 LEU HD13 . 27997 1 17 . 1 . 1 7 7 LEU HD21 H 1 0.951 0.002 . 1 . . . . . 7 LEU HD21 . 27997 1 18 . 1 . 1 7 7 LEU HD22 H 1 0.951 0.002 . 1 . . . . . 7 LEU HD22 . 27997 1 19 . 1 . 1 7 7 LEU HD23 H 1 0.951 0.002 . 1 . . . . . 7 LEU HD23 . 27997 1 20 . 1 . 1 7 7 LEU CA C 13 56.846 0.3 . 1 . . . . . 7 LEU CA . 27997 1 21 . 1 . 1 7 7 LEU CB C 13 41.083 0.3 . 1 . . . . . 7 LEU CB . 27997 1 22 . 1 . 1 7 7 LEU CD1 C 13 24.466 0.2 . 1 . . . . . 7 LEU CD1 . 27997 1 23 . 1 . 1 7 7 LEU CD2 C 13 23.415 0.2 . 1 . . . . . 7 LEU CD2 . 27997 1 24 . 1 . 1 7 7 LEU N N 15 122.839 0.2 . 1 . . . . . 7 LEU N . 27997 1 25 . 1 . 1 8 8 LEU H H 1 7.682 0.002 . 1 . . . . . 8 LEU H . 27997 1 26 . 1 . 1 8 8 LEU HD11 H 1 0.778 0.002 . 1 . . . . . 8 LEU HD11 . 27997 1 27 . 1 . 1 8 8 LEU HD12 H 1 0.778 0.002 . 1 . . . . . 8 LEU HD12 . 27997 1 28 . 1 . 1 8 8 LEU HD13 H 1 0.778 0.002 . 1 . . . . . 8 LEU HD13 . 27997 1 29 . 1 . 1 8 8 LEU HD21 H 1 0.82 0.002 . 1 . . . . . 8 LEU HD21 . 27997 1 30 . 1 . 1 8 8 LEU HD22 H 1 0.82 0.002 . 1 . . . . . 8 LEU HD22 . 27997 1 31 . 1 . 1 8 8 LEU HD23 H 1 0.82 0.002 . 1 . . . . . 8 LEU HD23 . 27997 1 32 . 1 . 1 8 8 LEU CA C 13 57.306 0.3 . 1 . . . . . 8 LEU CA . 27997 1 33 . 1 . 1 8 8 LEU CB C 13 41.073 0.3 . 1 . . . . . 8 LEU CB . 27997 1 34 . 1 . 1 8 8 LEU CD1 C 13 23.335 0.2 . 1 . . . . . 8 LEU CD1 . 27997 1 35 . 1 . 1 8 8 LEU CD2 C 13 24.636 0.2 . 1 . . . . . 8 LEU CD2 . 27997 1 36 . 1 . 1 8 8 LEU N N 15 119.449 0.2 . 1 . . . . . 8 LEU N . 27997 1 37 . 1 . 1 9 9 TYR H H 1 7.979 0.002 . 1 . . . . . 9 TYR H . 27997 1 38 . 1 . 1 9 9 TYR CA C 13 59.955 0.3 . 1 . . . . . 9 TYR CA . 27997 1 39 . 1 . 1 9 9 TYR CB C 13 38.137 0.3 . 1 . . . . . 9 TYR CB . 27997 1 40 . 1 . 1 9 9 TYR N N 15 120.036 0.2 . 1 . . . . . 9 TYR N . 27997 1 41 . 1 . 1 10 10 ALA H H 1 7.705 0.002 . 1 . . . . . 10 ALA H . 27997 1 42 . 1 . 1 10 10 ALA CA C 13 54.521 0.3 . 1 . . . . . 10 ALA CA . 27997 1 43 . 1 . 1 10 10 ALA CB C 13 18.277 0.3 . 1 . . . . . 10 ALA CB . 27997 1 44 . 1 . 1 10 10 ALA N N 15 122.837 0.2 . 1 . . . . . 10 ALA N . 27997 1 45 . 1 . 1 11 11 ILE H H 1 7.824 0.002 . 1 . . . . . 11 ILE H . 27997 1 46 . 1 . 1 11 11 ILE HD11 H 1 0.713 0.002 . 1 . . . . . 11 ILE HD11 . 27997 1 47 . 1 . 1 11 11 ILE HD12 H 1 0.713 0.002 . 1 . . . . . 11 ILE HD12 . 27997 1 48 . 1 . 1 11 11 ILE HD13 H 1 0.713 0.002 . 1 . . . . . 11 ILE HD13 . 27997 1 49 . 1 . 1 11 11 ILE CA C 13 63.389 0.3 . 1 . . . . . 11 ILE CA . 27997 1 50 . 1 . 1 11 11 ILE CD1 C 13 20.275 0.2 . 1 . . . . . 11 ILE CD1 . 27997 1 51 . 1 . 1 11 11 ILE N N 15 117.138 0.2 . 1 . . . . . 11 ILE N . 27997 1 52 . 1 . 1 12 12 SER H H 1 7.734 0.002 . 1 . . . . . 12 SER H . 27997 1 53 . 1 . 1 12 12 SER CA C 13 60.469 0.3 . 1 . . . . . 12 SER CA . 27997 1 54 . 1 . 1 12 12 SER CB C 13 63.022 0.3 . 1 . . . . . 12 SER CB . 27997 1 55 . 1 . 1 12 12 SER N N 15 117.134 0.2 . 1 . . . . . 12 SER N . 27997 1 56 . 1 . 1 13 13 LYS H H 1 7.245 0.002 . 1 . . . . . 13 LYS H . 27997 1 57 . 1 . 1 13 13 LYS CA C 13 55.9 0.3 . 1 . . . . . 13 LYS CA . 27997 1 58 . 1 . 1 13 13 LYS CB C 13 32.675 0.3 . 1 . . . . . 13 LYS CB . 27997 1 59 . 1 . 1 13 13 LYS N N 15 120.024 0.2 . 1 . . . . . 13 LYS N . 27997 1 60 . 1 . 1 14 14 LEU H H 1 7.344 0.002 . 1 . . . . . 14 LEU H . 27997 1 61 . 1 . 1 14 14 LEU HD11 H 1 0.777 0.002 . 1 . . . . . 14 LEU HD11 . 27997 1 62 . 1 . 1 14 14 LEU HD12 H 1 0.777 0.002 . 1 . . . . . 14 LEU HD12 . 27997 1 63 . 1 . 1 14 14 LEU HD13 H 1 0.777 0.002 . 1 . . . . . 14 LEU HD13 . 27997 1 64 . 1 . 1 14 14 LEU HD21 H 1 0.815 0.002 . 1 . . . . . 14 LEU HD21 . 27997 1 65 . 1 . 1 14 14 LEU HD22 H 1 0.815 0.002 . 1 . . . . . 14 LEU HD22 . 27997 1 66 . 1 . 1 14 14 LEU HD23 H 1 0.815 0.002 . 1 . . . . . 14 LEU HD23 . 27997 1 67 . 1 . 1 14 14 LEU CA C 13 55.575 0.3 . 1 . . . . . 14 LEU CA . 27997 1 68 . 1 . 1 14 14 LEU CB C 13 42.491 0.3 . 1 . . . . . 14 LEU CB . 27997 1 69 . 1 . 1 14 14 LEU CD1 C 13 22.892 0.2 . 1 . . . . . 14 LEU CD1 . 27997 1 70 . 1 . 1 14 14 LEU CD2 C 13 25.929 0.2 . 1 . . . . . 14 LEU CD2 . 27997 1 71 . 1 . 1 14 14 LEU N N 15 122.001 0.2 . 1 . . . . . 14 LEU N . 27997 1 72 . 1 . 1 15 15 GLY H H 1 8.55 0.002 . 1 . . . . . 15 GLY H . 27997 1 73 . 1 . 1 15 15 GLY CA C 13 44.192 0.3 . 1 . . . . . 15 GLY CA . 27997 1 74 . 1 . 1 15 15 GLY N N 15 111.297 0.2 . 1 . . . . . 15 GLY N . 27997 1 75 . 1 . 1 17 17 GLY H H 1 8.026 0.002 . 1 . . . . . 17 GLY H . 27997 1 76 . 1 . 1 17 17 GLY CA C 13 45.896 0.3 . 1 . . . . . 17 GLY CA . 27997 1 77 . 1 . 1 17 17 GLY N N 15 112.039 0.2 . 1 . . . . . 17 GLY N . 27997 1 78 . 1 . 1 18 18 GLU H H 1 7.664 0.002 . 1 . . . . . 18 GLU H . 27997 1 79 . 1 . 1 18 18 GLU CA C 13 57.143 0.3 . 1 . . . . . 18 GLU CA . 27997 1 80 . 1 . 1 18 18 GLU CB C 13 30.812 0.3 . 1 . . . . . 18 GLU CB . 27997 1 81 . 1 . 1 18 18 GLU N N 15 120.88 0.2 . 1 . . . . . 18 GLU N . 27997 1 82 . 1 . 1 19 19 LYS H H 1 7.975 0.002 . 1 . . . . . 19 LYS H . 27997 1 83 . 1 . 1 19 19 LYS CA C 13 54.953 0.3 . 1 . . . . . 19 LYS CA . 27997 1 84 . 1 . 1 19 19 LYS CB C 13 35.276 0.3 . 1 . . . . . 19 LYS CB . 27997 1 85 . 1 . 1 19 19 LYS N N 15 118.567 0.2 . 1 . . . . . 19 LYS N . 27997 1 86 . 1 . 1 20 20 TYR H H 1 8.674 0.002 . 1 . . . . . 20 TYR H . 27997 1 87 . 1 . 1 20 20 TYR CA C 13 57.441 0.3 . 1 . . . . . 20 TYR CA . 27997 1 88 . 1 . 1 20 20 TYR CB C 13 42.246 0.3 . 1 . . . . . 20 TYR CB . 27997 1 89 . 1 . 1 20 20 TYR N N 15 122.071 0.2 . 1 . . . . . 20 TYR N . 27997 1 90 . 1 . 1 21 21 GLU H H 1 8.332 0.002 . 1 . . . . . 21 GLU H . 27997 1 91 . 1 . 1 21 21 GLU CA C 13 57.387 0.3 . 1 . . . . . 21 GLU CA . 27997 1 92 . 1 . 1 21 21 GLU CB C 13 30.538 0.3 . 1 . . . . . 21 GLU CB . 27997 1 93 . 1 . 1 21 21 GLU N N 15 128.263 0.2 . 1 . . . . . 21 GLU N . 27997 1 94 . 1 . 1 22 22 LEU H H 1 7.684 0.002 . 1 . . . . . 22 LEU H . 27997 1 95 . 1 . 1 22 22 LEU HD11 H 1 0.83 0.002 . 1 . . . . . 22 LEU HD11 . 27997 1 96 . 1 . 1 22 22 LEU HD12 H 1 0.83 0.002 . 1 . . . . . 22 LEU HD12 . 27997 1 97 . 1 . 1 22 22 LEU HD13 H 1 0.83 0.002 . 1 . . . . . 22 LEU HD13 . 27997 1 98 . 1 . 1 22 22 LEU HD21 H 1 0.889 0.002 . 1 . . . . . 22 LEU HD21 . 27997 1 99 . 1 . 1 22 22 LEU HD22 H 1 0.889 0.002 . 1 . . . . . 22 LEU HD22 . 27997 1 100 . 1 . 1 22 22 LEU HD23 H 1 0.889 0.002 . 1 . . . . . 22 LEU HD23 . 27997 1 101 . 1 . 1 22 22 LEU CA C 13 57.279 0.3 . 1 . . . . . 22 LEU CA . 27997 1 102 . 1 . 1 22 22 LEU CB C 13 41.073 0.3 . 1 . . . . . 22 LEU CB . 27997 1 103 . 1 . 1 22 22 LEU CD1 C 13 25.939 0.2 . 1 . . . . . 22 LEU CD1 . 27997 1 104 . 1 . 1 22 22 LEU CD2 C 13 24.342 0.2 . 1 . . . . . 22 LEU CD2 . 27997 1 105 . 1 . 1 22 22 LEU N N 15 119.75 0.2 . 1 . . . . . 22 LEU N . 27997 1 106 . 1 . 1 23 23 HIS H H 1 7.736 0.002 . 1 . . . . . 23 HIS H . 27997 1 107 . 1 . 1 23 23 HIS CA C 13 56.711 0.3 . 1 . . . . . 23 HIS CA . 27997 1 108 . 1 . 1 23 23 HIS CB C 13 33.686 0.3 . 1 . . . . . 23 HIS CB . 27997 1 109 . 1 . 1 23 23 HIS N N 15 118.033 0.2 . 1 . . . . . 23 HIS N . 27997 1 110 . 1 . 1 24 24 ALA H H 1 8.022 0.002 . 1 . . . . . 24 ALA H . 27997 1 111 . 1 . 1 24 24 ALA CA C 13 52.277 0.3 . 1 . . . . . 24 ALA CA . 27997 1 112 . 1 . 1 24 24 ALA CB C 13 19.194 0.3 . 1 . . . . . 24 ALA CB . 27997 1 113 . 1 . 1 24 24 ALA N N 15 130.17 0.2 . 1 . . . . . 24 ALA N . 27997 1 114 . 1 . 1 25 25 ALA H H 1 8.761 0.002 . 1 . . . . . 25 ALA H . 27997 1 115 . 1 . 1 25 25 ALA CA C 13 53.142 0.3 . 1 . . . . . 25 ALA CA . 27997 1 116 . 1 . 1 25 25 ALA CB C 13 19.683 0.3 . 1 . . . . . 25 ALA CB . 27997 1 117 . 1 . 1 25 25 ALA N N 15 124.126 0.2 . 1 . . . . . 25 ALA N . 27997 1 118 . 1 . 1 26 26 THR H H 1 8.243 0.002 . 1 . . . . . 26 THR H . 27997 1 119 . 1 . 1 26 26 THR CA C 13 61.145 0.3 . 1 . . . . . 26 THR CA . 27997 1 120 . 1 . 1 26 26 THR CB C 13 71.536 0.3 . 1 . . . . . 26 THR CB . 27997 1 121 . 1 . 1 26 26 THR N N 15 111.199 0.2 . 1 . . . . . 26 THR N . 27997 1 122 . 1 . 1 27 27 ASP H H 1 8.612 0.002 . 1 . . . . . 27 ASP H . 27997 1 123 . 1 . 1 27 27 ASP CA C 13 57.441 0.3 . 1 . . . . . 27 ASP CA . 27997 1 124 . 1 . 1 27 27 ASP CB C 13 40.473 0.3 . 1 . . . . . 27 ASP CB . 27997 1 125 . 1 . 1 27 27 ASP N N 15 117.553 0.2 . 1 . . . . . 27 ASP N . 27997 1 126 . 1 . 1 28 28 THR H H 1 7.703 0.002 . 1 . . . . . 28 THR H . 27997 1 127 . 1 . 1 28 28 THR CA C 13 61.524 0.3 . 1 . . . . . 28 THR CA . 27997 1 128 . 1 . 1 28 28 THR CB C 13 70.557 0.3 . 1 . . . . . 28 THR CB . 27997 1 129 . 1 . 1 28 28 THR N N 15 104.578 0.2 . 1 . . . . . 28 THR N . 27997 1 130 . 1 . 1 29 29 THR H H 1 7.135 0.002 . 1 . . . . . 29 THR H . 27997 1 131 . 1 . 1 29 29 THR CA C 13 58.441 0.3 . 1 . . . . . 29 THR CA . 27997 1 132 . 1 . 1 29 29 THR CB C 13 70.261 0.3 . 1 . . . . . 29 THR CB . 27997 1 133 . 1 . 1 29 29 THR N N 15 112.881 0.2 . 1 . . . . . 29 THR N . 27997 1 134 . 1 . 1 31 31 SER H H 1 7.927 0.002 . 1 . . . . . 31 SER H . 27997 1 135 . 1 . 1 31 31 SER CA C 13 57.495 0.3 . 1 . . . . . 31 SER CA . 27997 1 136 . 1 . 1 31 31 SER CB C 13 64.81 0.3 . 1 . . . . . 31 SER CB . 27997 1 137 . 1 . 1 31 31 SER N N 15 113.857 0.2 . 1 . . . . . 31 SER N . 27997 1 138 . 1 . 1 32 32 VAL H H 1 9.007 0.002 . 1 . . . . . 32 VAL H . 27997 1 139 . 1 . 1 32 32 VAL HG11 H 1 0.81 0.002 . 1 . . . . . 32 VAL HG11 . 27997 1 140 . 1 . 1 32 32 VAL HG12 H 1 0.81 0.002 . 1 . . . . . 32 VAL HG12 . 27997 1 141 . 1 . 1 32 32 VAL HG13 H 1 0.81 0.002 . 1 . . . . . 32 VAL HG13 . 27997 1 142 . 1 . 1 32 32 VAL HG21 H 1 0.942 0.002 . 1 . . . . . 32 VAL HG21 . 27997 1 143 . 1 . 1 32 32 VAL HG22 H 1 0.942 0.002 . 1 . . . . . 32 VAL HG22 . 27997 1 144 . 1 . 1 32 32 VAL HG23 H 1 0.942 0.002 . 1 . . . . . 32 VAL HG23 . 27997 1 145 . 1 . 1 32 32 VAL CA C 13 61.929 0.3 . 1 . . . . . 32 VAL CA . 27997 1 146 . 1 . 1 32 32 VAL CB C 13 33.197 0.3 . 1 . . . . . 32 VAL CB . 27997 1 147 . 1 . 1 32 32 VAL CG1 C 13 20.666 0.2 . 1 . . . . . 32 VAL CG1 . 27997 1 148 . 1 . 1 32 32 VAL CG2 C 13 20.208 0.2 . 1 . . . . . 32 VAL CG2 . 27997 1 149 . 1 . 1 32 32 VAL N N 15 120.714 0.2 . 1 . . . . . 32 VAL N . 27997 1 150 . 1 . 1 33 33 VAL H H 1 8.99 0.002 . 1 . . . . . 33 VAL H . 27997 1 151 . 1 . 1 33 33 VAL HG11 H 1 0.775 0.002 . 1 . . . . . 33 VAL HG11 . 27997 1 152 . 1 . 1 33 33 VAL HG12 H 1 0.775 0.002 . 1 . . . . . 33 VAL HG12 . 27997 1 153 . 1 . 1 33 33 VAL HG13 H 1 0.775 0.002 . 1 . . . . . 33 VAL HG13 . 27997 1 154 . 1 . 1 33 33 VAL HG21 H 1 0.881 0.002 . 1 . . . . . 33 VAL HG21 . 27997 1 155 . 1 . 1 33 33 VAL HG22 H 1 0.881 0.002 . 1 . . . . . 33 VAL HG22 . 27997 1 156 . 1 . 1 33 33 VAL HG23 H 1 0.881 0.002 . 1 . . . . . 33 VAL HG23 . 27997 1 157 . 1 . 1 33 33 VAL CA C 13 59.685 0.3 . 1 . . . . . 33 VAL CA . 27997 1 158 . 1 . 1 33 33 VAL CB C 13 35.695 0.3 . 1 . . . . . 33 VAL CB . 27997 1 159 . 1 . 1 33 33 VAL CG1 C 13 20.843 0.2 . 1 . . . . . 33 VAL CG1 . 27997 1 160 . 1 . 1 33 33 VAL CG2 C 13 21.187 0.2 . 1 . . . . . 33 VAL CG2 . 27997 1 161 . 1 . 1 33 33 VAL N N 15 126.165 0.2 . 1 . . . . . 33 VAL N . 27997 1 162 . 1 . 1 34 34 ILE H H 1 9.078 0.002 . 1 . . . . . 34 ILE H . 27997 1 163 . 1 . 1 34 34 ILE HD11 H 1 0.631 0.002 . 1 . . . . . 34 ILE HD11 . 27997 1 164 . 1 . 1 34 34 ILE HD12 H 1 0.631 0.002 . 1 . . . . . 34 ILE HD12 . 27997 1 165 . 1 . 1 34 34 ILE HD13 H 1 0.631 0.002 . 1 . . . . . 34 ILE HD13 . 27997 1 166 . 1 . 1 34 34 ILE CA C 13 58.252 0.3 . 1 . . . . . 34 ILE CA . 27997 1 167 . 1 . 1 34 34 ILE CB C 13 41.146 0.3 . 1 . . . . . 34 ILE CB . 27997 1 168 . 1 . 1 34 34 ILE CD1 C 13 21.078 0.2 . 1 . . . . . 34 ILE CD1 . 27997 1 169 . 1 . 1 34 34 ILE N N 15 125.677 0.2 . 1 . . . . . 34 ILE N . 27997 1 170 . 1 . 1 35 35 THR H H 1 8.871 0.002 . 1 . . . . . 35 THR H . 27997 1 171 . 1 . 1 35 35 THR CA C 13 61.767 0.3 . 1 . . . . . 35 THR CA . 27997 1 172 . 1 . 1 35 35 THR CB C 13 70.435 0.3 . 1 . . . . . 35 THR CB . 27997 1 173 . 1 . 1 35 35 THR N N 15 121.802 0.2 . 1 . . . . . 35 THR N . 27997 1 174 . 1 . 1 36 36 VAL H H 1 8.209 0.002 . 1 . . . . . 36 VAL H . 27997 1 175 . 1 . 1 36 36 VAL HG11 H 1 0.97 0.002 . 1 . . . . . 36 VAL HG11 . 27997 1 176 . 1 . 1 36 36 VAL HG12 H 1 0.97 0.002 . 1 . . . . . 36 VAL HG12 . 27997 1 177 . 1 . 1 36 36 VAL HG13 H 1 0.97 0.002 . 1 . . . . . 36 VAL HG13 . 27997 1 178 . 1 . 1 36 36 VAL HG21 H 1 0.976 0.002 . 1 . . . . . 36 VAL HG21 . 27997 1 179 . 1 . 1 36 36 VAL HG22 H 1 0.976 0.002 . 1 . . . . . 36 VAL HG22 . 27997 1 180 . 1 . 1 36 36 VAL HG23 H 1 0.976 0.002 . 1 . . . . . 36 VAL HG23 . 27997 1 181 . 1 . 1 36 36 VAL CA C 13 61.949 0.3 . 1 . . . . . 36 VAL CA . 27997 1 182 . 1 . 1 36 36 VAL CB C 13 32.341 0.3 . 1 . . . . . 36 VAL CB . 27997 1 183 . 1 . 1 36 36 VAL CG1 C 13 20.755 0.2 . 1 . . . . . 36 VAL CG1 . 27997 1 184 . 1 . 1 36 36 VAL CG2 C 13 21.791 0.2 . 1 . . . . . 36 VAL CG2 . 27997 1 185 . 1 . 1 36 36 VAL N N 15 122.304 0.2 . 1 . . . . . 36 VAL N . 27997 1 186 . 1 . 1 37 37 CYS H H 1 7.95 0.002 . 1 . . . . . 37 CYS H . 27997 1 187 . 1 . 1 37 37 CYS CA C 13 58.793 0.3 . 1 . . . . . 37 CYS CA . 27997 1 188 . 1 . 1 37 37 CYS CB C 13 28.45 0.3 . 1 . . . . . 37 CYS CB . 27997 1 189 . 1 . 1 37 37 CYS N N 15 120.687 0.2 . 1 . . . . . 37 CYS N . 27997 1 190 . 1 . 1 38 38 GLU H H 1 8.69 0.002 . 1 . . . . . 38 GLU H . 27997 1 191 . 1 . 1 38 38 GLU CA C 13 57.225 0.3 . 1 . . . . . 38 GLU CA . 27997 1 192 . 1 . 1 38 38 GLU CB C 13 30.345 0.3 . 1 . . . . . 38 GLU CB . 27997 1 193 . 1 . 1 38 38 GLU N N 15 122.971 0.2 . 1 . . . . . 38 GLU N . 27997 1 194 . 1 . 1 39 39 SER H H 1 8.378 0.002 . 1 . . . . . 39 SER H . 27997 1 195 . 1 . 1 39 39 SER CA C 13 58.82 0.3 . 1 . . . . . 39 SER CA . 27997 1 196 . 1 . 1 39 39 SER CB C 13 64.259 0.3 . 1 . . . . . 39 SER CB . 27997 1 197 . 1 . 1 39 39 SER N N 15 116.856 0.2 . 1 . . . . . 39 SER N . 27997 1 198 . 1 . 1 40 40 ASP H H 1 7.947 0.002 . 1 . . . . . 40 ASP H . 27997 1 199 . 1 . 1 40 40 ASP CA C 13 56.359 0.3 . 1 . . . . . 40 ASP CA . 27997 1 200 . 1 . 1 40 40 ASP CB C 13 42.307 0.3 . 1 . . . . . 40 ASP CB . 27997 1 201 . 1 . 1 40 40 ASP N N 15 127.892 0.2 . 1 . . . . . 40 ASP N . 27997 1 stop_ save_