################################### # 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 51234 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name CI2 _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' . . . 51234 1 2 '3D HNCA' . . . 51234 1 3 '2D 1H-13C HSQC' . . . 51234 1 10 '3D H(CCO)NH' . . . 51234 1 11 '3D (H)C(CO)NH' . . . 51234 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 4 $software_4 . . 51234 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 MET CA C 13 55.028 0.1 . 1 . . . . . 1 MET CA . 51234 1 2 . 1 . 1 2 2 LYS H H 1 8.684 0.01 . 1 . . . . . 2 LYS HN . 51234 1 3 . 1 . 1 2 2 LYS CA C 13 56.583 0.1 . 1 . . . . . 2 LYS CA . 51234 1 4 . 1 . 1 2 2 LYS N N 15 126.84 0.1 . 1 . . . . . 2 LYS N . 51234 1 5 . 1 . 1 3 3 THR H H 1 8.393 0.01 . 1 . . . . . 3 THR HN . 51234 1 6 . 1 . 1 3 3 THR HG21 H 1 1.078 0.01 . 1 . . . . . 3 THR MG . 51234 1 7 . 1 . 1 3 3 THR HG22 H 1 1.078 0.01 . 1 . . . . . 3 THR MG . 51234 1 8 . 1 . 1 3 3 THR HG23 H 1 1.078 0.01 . 1 . . . . . 3 THR MG . 51234 1 9 . 1 . 1 3 3 THR CA C 13 61.015 0.1 . 1 . . . . . 3 THR CA . 51234 1 10 . 1 . 1 3 3 THR CG2 C 13 21.801 0.1 . 1 . . . . . 3 THR CG2 . 51234 1 11 . 1 . 1 3 3 THR N N 15 112.179 0.1 . 1 . . . . . 3 THR N . 51234 1 12 . 1 . 1 4 4 GLU H H 1 6.623 0.01 . 1 . . . . . 4 GLU HN . 51234 1 13 . 1 . 1 4 4 GLU CA C 13 55.188 0.1 . 1 . . . . . 4 GLU CA . 51234 1 14 . 1 . 1 4 4 GLU N N 15 116.438 0.1 . 1 . . . . . 4 GLU N . 51234 1 15 . 1 . 1 5 5 TRP H H 1 8.197 0.01 . 1 . . . . . 5 TRP HN . 51234 1 16 . 1 . 1 5 5 TRP CA C 13 56.562 0.1 . 1 . . . . . 5 TRP CA . 51234 1 17 . 1 . 1 5 5 TRP N N 15 118.429 0.1 . 1 . . . . . 5 TRP N . 51234 1 18 . 1 . 1 6 6 PRO CA C 13 65.358 0.1 . 1 . . . . . 6 PRO CA . 51234 1 19 . 1 . 1 7 7 GLU H H 1 10.72 0.01 . 1 . . . . . 7 GLU HN . 51234 1 20 . 1 . 1 7 7 GLU CA C 13 57.828 0.1 . 1 . . . . . 7 GLU CA . 51234 1 21 . 1 . 1 7 7 GLU N N 15 119.779 0.1 . 1 . . . . . 7 GLU N . 51234 1 22 . 1 . 1 8 8 LEU H H 1 7.82 0.01 . 1 . . . . . 8 LEU HN . 51234 1 23 . 1 . 1 8 8 LEU HD11 H 1 0.804 0.01 . 1 . . . . . 8 LEU HD1# . 51234 1 24 . 1 . 1 8 8 LEU HD12 H 1 0.804 0.01 . 1 . . . . . 8 LEU HD1# . 51234 1 25 . 1 . 1 8 8 LEU HD13 H 1 0.804 0.01 . 1 . . . . . 8 LEU HD1# . 51234 1 26 . 1 . 1 8 8 LEU HD21 H 1 0.804 0.01 . 1 . . . . . 8 LEU HD2# . 51234 1 27 . 1 . 1 8 8 LEU HD22 H 1 0.804 0.01 . 1 . . . . . 8 LEU HD2# . 51234 1 28 . 1 . 1 8 8 LEU HD23 H 1 0.804 0.01 . 1 . . . . . 8 LEU HD2# . 51234 1 29 . 1 . 1 8 8 LEU CA C 13 54.307 0.1 . 1 . . . . . 8 LEU CA . 51234 1 30 . 1 . 1 8 8 LEU CD1 C 13 25.957 0.1 . 1 . . . . . 8 LEU CD# . 51234 1 31 . 1 . 1 8 8 LEU CD2 C 13 25.957 0.1 . 1 . . . . . 8 LEU CD# . 51234 1 32 . 1 . 1 8 8 LEU N N 15 118.503 0.1 . 1 . . . . . 8 LEU N . 51234 1 33 . 1 . 1 9 9 VAL H H 1 7.036 0.01 . 1 . . . . . 9 VAL HN . 51234 1 34 . 1 . 1 9 9 VAL HG11 H 1 0.836 0.01 . 1 . . . . . 9 VAL MG1 . 51234 1 35 . 1 . 1 9 9 VAL HG12 H 1 0.836 0.01 . 1 . . . . . 9 VAL MG1 . 51234 1 36 . 1 . 1 9 9 VAL HG13 H 1 0.836 0.01 . 1 . . . . . 9 VAL MG1 . 51234 1 37 . 1 . 1 9 9 VAL HG21 H 1 0.935 0.01 . 1 . . . . . 9 VAL MG2 . 51234 1 38 . 1 . 1 9 9 VAL HG22 H 1 0.935 0.01 . 1 . . . . . 9 VAL MG2 . 51234 1 39 . 1 . 1 9 9 VAL HG23 H 1 0.935 0.01 . 1 . . . . . 9 VAL MG2 . 51234 1 40 . 1 . 1 9 9 VAL CA C 13 66.141 0.1 . 1 . . . . . 9 VAL CA . 51234 1 41 . 1 . 1 9 9 VAL CG1 C 13 21.088 0.1 . 1 . . . . . 9 VAL CG1 . 51234 1 42 . 1 . 1 9 9 VAL CG2 C 13 23.285 0.1 . 1 . . . . . 9 VAL CG2 . 51234 1 43 . 1 . 1 9 9 VAL N N 15 118.905 0.1 . 1 . . . . . 9 VAL N . 51234 1 44 . 1 . 1 10 10 GLY H H 1 9.153 0.01 . 1 . . . . . 10 GLY HN . 51234 1 45 . 1 . 1 10 10 GLY CA C 13 44.928 0.1 . 1 . . . . . 10 GLY CA . 51234 1 46 . 1 . 1 10 10 GLY N N 15 116.421 0.1 . 1 . . . . . 10 GLY N . 51234 1 47 . 1 . 1 11 11 LYS H H 1 7.713 0.01 . 1 . . . . . 11 LYS HN . 51234 1 48 . 1 . 1 11 11 LYS CA C 13 54.084 0.1 . 1 . . . . . 11 LYS CA . 51234 1 49 . 1 . 1 11 11 LYS N N 15 118.719 0.1 . 1 . . . . . 11 LYS N . 51234 1 50 . 1 . 1 12 12 SER H H 1 8.552 0.01 . 1 . . . . . 12 SER HN . 51234 1 51 . 1 . 1 12 12 SER CA C 13 58.275 0.1 . 1 . . . . . 12 SER CA . 51234 1 52 . 1 . 1 12 12 SER N N 15 115.701 0.1 . 1 . . . . . 12 SER N . 51234 1 53 . 1 . 1 13 13 VAL H H 1 8.368 0.01 . 1 . . . . . 13 VAL HN . 51234 1 54 . 1 . 1 13 13 VAL HG11 H 1 0.891 0.01 . 1 . . . . . 13 VAL MG1 . 51234 1 55 . 1 . 1 13 13 VAL HG12 H 1 0.891 0.01 . 1 . . . . . 13 VAL MG1 . 51234 1 56 . 1 . 1 13 13 VAL HG13 H 1 0.891 0.01 . 1 . . . . . 13 VAL MG1 . 51234 1 57 . 1 . 1 13 13 VAL HG21 H 1 0.909 0.01 . 1 . . . . . 13 VAL MG2 . 51234 1 58 . 1 . 1 13 13 VAL HG22 H 1 0.909 0.01 . 1 . . . . . 13 VAL MG2 . 51234 1 59 . 1 . 1 13 13 VAL HG23 H 1 0.909 0.01 . 1 . . . . . 13 VAL MG2 . 51234 1 60 . 1 . 1 13 13 VAL CA C 13 66.701 0.1 . 1 . . . . . 13 VAL CA . 51234 1 61 . 1 . 1 13 13 VAL CG1 C 13 21.057 0.1 . 1 . . . . . 13 VAL CG1 . 51234 1 62 . 1 . 1 13 13 VAL CG2 C 13 24.273 0.1 . 1 . . . . . 13 VAL CG2 . 51234 1 63 . 1 . 1 13 13 VAL N N 15 121.376 0.1 . 1 . . . . . 13 VAL N . 51234 1 64 . 1 . 1 14 14 GLU H H 1 8.223 0.01 . 1 . . . . . 14 GLU HN . 51234 1 65 . 1 . 1 14 14 GLU CA C 13 59.574 0.1 . 1 . . . . . 14 GLU CA . 51234 1 66 . 1 . 1 14 14 GLU N N 15 118.008 0.1 . 1 . . . . . 14 GLU N . 51234 1 67 . 1 . 1 15 15 GLU H H 1 7.547 0.01 . 1 . . . . . 15 GLU HN . 51234 1 68 . 1 . 1 15 15 GLU CA C 13 58.618 0.1 . 1 . . . . . 15 GLU CA . 51234 1 69 . 1 . 1 15 15 GLU N N 15 119.874 0.1 . 1 . . . . . 15 GLU N . 51234 1 70 . 1 . 1 16 16 ALA H H 1 8.482 0.01 . 1 . . . . . 16 ALA HN . 51234 1 71 . 1 . 1 16 16 ALA HB1 H 1 1.307 0.01 . 1 . . . . . 16 ALA MB . 51234 1 72 . 1 . 1 16 16 ALA HB2 H 1 1.307 0.01 . 1 . . . . . 16 ALA MB . 51234 1 73 . 1 . 1 16 16 ALA HB3 H 1 1.307 0.01 . 1 . . . . . 16 ALA MB . 51234 1 74 . 1 . 1 16 16 ALA CA C 13 54.654 0.1 . 1 . . . . . 16 ALA CA . 51234 1 75 . 1 . 1 16 16 ALA CB C 13 19.508 0.1 . 1 . . . . . 16 ALA CB . 51234 1 76 . 1 . 1 16 16 ALA N N 15 120.188 0.1 . 1 . . . . . 16 ALA N . 51234 1 77 . 1 . 1 17 17 LYS H H 1 8.466 0.01 . 1 . . . . . 17 LYS HN . 51234 1 78 . 1 . 1 17 17 LYS CA C 13 60.659 0.1 . 1 . . . . . 17 LYS CA . 51234 1 79 . 1 . 1 17 17 LYS N N 15 115.694 0.1 . 1 . . . . . 17 LYS N . 51234 1 80 . 1 . 1 18 18 LYS H H 1 6.872 0.01 . 1 . . . . . 18 LYS HN . 51234 1 81 . 1 . 1 18 18 LYS CA C 13 59.445 0.1 . 1 . . . . . 18 LYS CA . 51234 1 82 . 1 . 1 18 18 LYS N N 15 115.085 0.1 . 1 . . . . . 18 LYS N . 51234 1 83 . 1 . 1 19 19 VAL H H 1 7.292 0.01 . 1 . . . . . 19 VAL HN . 51234 1 84 . 1 . 1 19 19 VAL HG11 H 1 1.011 0.01 . 1 . . . . . 19 VAL MG1 . 51234 1 85 . 1 . 1 19 19 VAL HG12 H 1 1.011 0.01 . 1 . . . . . 19 VAL MG1 . 51234 1 86 . 1 . 1 19 19 VAL HG13 H 1 1.011 0.01 . 1 . . . . . 19 VAL MG1 . 51234 1 87 . 1 . 1 19 19 VAL HG21 H 1 1.025 0.01 . 1 . . . . . 19 VAL MG2 . 51234 1 88 . 1 . 1 19 19 VAL HG22 H 1 1.025 0.01 . 1 . . . . . 19 VAL MG2 . 51234 1 89 . 1 . 1 19 19 VAL HG23 H 1 1.025 0.01 . 1 . . . . . 19 VAL MG2 . 51234 1 90 . 1 . 1 19 19 VAL CA C 13 66.139 0.1 . 1 . . . . . 19 VAL CA . 51234 1 91 . 1 . 1 19 19 VAL CG1 C 13 21.543 0.1 . 1 . . . . . 19 VAL CG1 . 51234 1 92 . 1 . 1 19 19 VAL CG2 C 13 22.463 0.1 . 1 . . . . . 19 VAL CG2 . 51234 1 93 . 1 . 1 19 19 VAL N N 15 119.055 0.1 . 1 . . . . . 19 VAL N . 51234 1 94 . 1 . 1 20 20 ILE H H 1 7.958 0.01 . 1 . . . . . 20 ILE HN . 51234 1 95 . 1 . 1 20 20 ILE HG21 H 1 0.023 0.01 . 1 . . . . . 20 ILE MG . 51234 1 96 . 1 . 1 20 20 ILE HG22 H 1 0.023 0.01 . 1 . . . . . 20 ILE MG . 51234 1 97 . 1 . 1 20 20 ILE HG23 H 1 0.023 0.01 . 1 . . . . . 20 ILE MG . 51234 1 98 . 1 . 1 20 20 ILE HD11 H 1 -0.063 0.01 . 1 . . . . . 20 ILE MD . 51234 1 99 . 1 . 1 20 20 ILE HD12 H 1 -0.063 0.01 . 1 . . . . . 20 ILE MD . 51234 1 100 . 1 . 1 20 20 ILE HD13 H 1 -0.063 0.01 . 1 . . . . . 20 ILE MD . 51234 1 101 . 1 . 1 20 20 ILE CA C 13 65.452 0.1 . 1 . . . . . 20 ILE CA . 51234 1 102 . 1 . 1 20 20 ILE CG2 C 13 16.741 0.1 . 1 . . . . . 20 ILE CG2 . 51234 1 103 . 1 . 1 20 20 ILE CD1 C 13 14.322 0.1 . 1 . . . . . 20 ILE CD1 . 51234 1 104 . 1 . 1 20 20 ILE N N 15 119.384 0.1 . 1 . . . . . 20 ILE N . 51234 1 105 . 1 . 1 21 21 LEU H H 1 7.871 0.01 . 1 . . . . . 21 LEU HN . 51234 1 106 . 1 . 1 21 21 LEU HD11 H 1 0.763 0.01 . 1 . . . . . 21 LEU MD1 . 51234 1 107 . 1 . 1 21 21 LEU HD12 H 1 0.763 0.01 . 1 . . . . . 21 LEU MD1 . 51234 1 108 . 1 . 1 21 21 LEU HD13 H 1 0.763 0.01 . 1 . . . . . 21 LEU MD1 . 51234 1 109 . 1 . 1 21 21 LEU HD21 H 1 0.866 0.01 . 1 . . . . . 21 LEU MD2 . 51234 1 110 . 1 . 1 21 21 LEU HD22 H 1 0.866 0.01 . 1 . . . . . 21 LEU MD2 . 51234 1 111 . 1 . 1 21 21 LEU HD23 H 1 0.866 0.01 . 1 . . . . . 21 LEU MD2 . 51234 1 112 . 1 . 1 21 21 LEU CA C 13 56.682 0.1 . 1 . . . . . 21 LEU CA . 51234 1 113 . 1 . 1 21 21 LEU CD1 C 13 25.256 0.1 . 1 . . . . . 21 LEU CD1 . 51234 1 114 . 1 . 1 21 21 LEU CD2 C 13 23.263 0.1 . 1 . . . . . 21 LEU CD2 . 51234 1 115 . 1 . 1 21 21 LEU N N 15 115.57 0.1 . 1 . . . . . 21 LEU N . 51234 1 116 . 1 . 1 22 22 GLN H H 1 7.25 0.01 . 1 . . . . . 22 GLN HN . 51234 1 117 . 1 . 1 22 22 GLN CA C 13 58.303 0.1 . 1 . . . . . 22 GLN CA . 51234 1 118 . 1 . 1 22 22 GLN N N 15 117.826 0.1 . 1 . . . . . 22 GLN N . 51234 1 119 . 1 . 1 23 23 ASP H H 1 7.526 0.01 . 1 . . . . . 23 ASP HN . 51234 1 120 . 1 . 1 23 23 ASP CA C 13 56.457 0.1 . 1 . . . . . 23 ASP CA . 51234 1 121 . 1 . 1 23 23 ASP N N 15 118.126 0.1 . 1 . . . . . 23 ASP N . 51234 1 122 . 1 . 1 24 24 LYS H H 1 9.074 0.01 . 1 . . . . . 24 LYS HN . 51234 1 123 . 1 . 1 24 24 LYS CA C 13 53.968 0.1 . 1 . . . . . 24 LYS CA . 51234 1 124 . 1 . 1 24 24 LYS N N 15 124.007 0.1 . 1 . . . . . 24 LYS N . 51234 1 125 . 1 . 1 25 25 PRO CA C 13 64.705 0.1 . 1 . . . . . 25 PRO CA . 51234 1 126 . 1 . 1 26 26 GLU H H 1 9.537 0.01 . 1 . . . . . 26 GLU HN . 51234 1 127 . 1 . 1 26 26 GLU CA C 13 55.59 0.1 . 1 . . . . . 26 GLU CA . 51234 1 128 . 1 . 1 26 26 GLU N N 15 118.092 0.1 . 1 . . . . . 26 GLU N . 51234 1 129 . 1 . 1 27 27 ALA H H 1 7.972 0.01 . 1 . . . . . 27 ALA HN . 51234 1 130 . 1 . 1 27 27 ALA HB1 H 1 1.084 0.01 . 1 . . . . . 27 ALA MB . 51234 1 131 . 1 . 1 27 27 ALA HB2 H 1 1.084 0.01 . 1 . . . . . 27 ALA MB . 51234 1 132 . 1 . 1 27 27 ALA HB3 H 1 1.084 0.01 . 1 . . . . . 27 ALA MB . 51234 1 133 . 1 . 1 27 27 ALA CA C 13 52.923 0.1 . 1 . . . . . 27 ALA CA . 51234 1 134 . 1 . 1 27 27 ALA CB C 13 18.702 0.1 . 1 . . . . . 27 ALA CB . 51234 1 135 . 1 . 1 27 27 ALA N N 15 123.198 0.1 . 1 . . . . . 27 ALA N . 51234 1 136 . 1 . 1 28 28 GLN H H 1 8.895 0.01 . 1 . . . . . 28 GLN HN . 51234 1 137 . 1 . 1 28 28 GLN CA C 13 53.993 0.1 . 1 . . . . . 28 GLN CA . 51234 1 138 . 1 . 1 28 28 GLN N N 15 123.232 0.1 . 1 . . . . . 28 GLN N . 51234 1 139 . 1 . 1 29 29 ILE H H 1 8.275 0.01 . 1 . . . . . 29 ILE HN . 51234 1 140 . 1 . 1 29 29 ILE HG21 H 1 0.59 0.01 . 1 . . . . . 29 ILE MG . 51234 1 141 . 1 . 1 29 29 ILE HG22 H 1 0.59 0.01 . 1 . . . . . 29 ILE MG . 51234 1 142 . 1 . 1 29 29 ILE HG23 H 1 0.59 0.01 . 1 . . . . . 29 ILE MG . 51234 1 143 . 1 . 1 29 29 ILE HD11 H 1 0.602 0.01 . 1 . . . . . 29 ILE MD . 51234 1 144 . 1 . 1 29 29 ILE HD12 H 1 0.602 0.01 . 1 . . . . . 29 ILE MD . 51234 1 145 . 1 . 1 29 29 ILE HD13 H 1 0.602 0.01 . 1 . . . . . 29 ILE MD . 51234 1 146 . 1 . 1 29 29 ILE CA C 13 60.339 0.1 . 1 . . . . . 29 ILE CA . 51234 1 147 . 1 . 1 29 29 ILE CG2 C 13 17.378 0.1 . 1 . . . . . 29 ILE CG2 . 51234 1 148 . 1 . 1 29 29 ILE CD1 C 13 13.89 0.1 . 1 . . . . . 29 ILE CD1 . 51234 1 149 . 1 . 1 29 29 ILE N N 15 125.866 0.1 . 1 . . . . . 29 ILE N . 51234 1 150 . 1 . 1 30 30 ILE H H 1 7.838 0.01 . 1 . . . . . 30 ILE HN . 51234 1 151 . 1 . 1 30 30 ILE HG21 H 1 0.768 0.01 . 1 . . . . . 30 ILE MG . 51234 1 152 . 1 . 1 30 30 ILE HG22 H 1 0.768 0.01 . 1 . . . . . 30 ILE MG . 51234 1 153 . 1 . 1 30 30 ILE HG23 H 1 0.768 0.01 . 1 . . . . . 30 ILE MG . 51234 1 154 . 1 . 1 30 30 ILE HD11 H 1 0.694 0.01 . 1 . . . . . 30 ILE MD . 51234 1 155 . 1 . 1 30 30 ILE HD12 H 1 0.694 0.01 . 1 . . . . . 30 ILE MD . 51234 1 156 . 1 . 1 30 30 ILE HD13 H 1 0.694 0.01 . 1 . . . . . 30 ILE MD . 51234 1 157 . 1 . 1 30 30 ILE CA C 13 58.567 0.1 . 1 . . . . . 30 ILE CA . 51234 1 158 . 1 . 1 30 30 ILE CG2 C 13 16.841 0.1 . 1 . . . . . 30 ILE CG2 . 51234 1 159 . 1 . 1 30 30 ILE CD1 C 13 12.089 0.1 . 1 . . . . . 30 ILE CD1 . 51234 1 160 . 1 . 1 30 30 ILE N N 15 129.656 0.1 . 1 . . . . . 30 ILE N . 51234 1 161 . 1 . 1 31 31 VAL H H 1 8.415 0.01 . 1 . . . . . 31 VAL HN . 51234 1 162 . 1 . 1 31 31 VAL HG11 H 1 0.81 0.01 . 1 . . . . . 31 VAL MG1 . 51234 1 163 . 1 . 1 31 31 VAL HG12 H 1 0.81 0.01 . 1 . . . . . 31 VAL MG1 . 51234 1 164 . 1 . 1 31 31 VAL HG13 H 1 0.81 0.01 . 1 . . . . . 31 VAL MG1 . 51234 1 165 . 1 . 1 31 31 VAL HG21 H 1 0.788 0.01 . 1 . . . . . 31 VAL MG2 . 51234 1 166 . 1 . 1 31 31 VAL HG22 H 1 0.788 0.01 . 1 . . . . . 31 VAL MG2 . 51234 1 167 . 1 . 1 31 31 VAL HG23 H 1 0.788 0.01 . 1 . . . . . 31 VAL MG2 . 51234 1 168 . 1 . 1 31 31 VAL CA C 13 61.831 0.1 . 1 . . . . . 31 VAL CA . 51234 1 169 . 1 . 1 31 31 VAL CG1 C 13 22.238 0.1 . 1 . . . . . 31 VAL CG1 . 51234 1 170 . 1 . 1 31 31 VAL CG2 C 13 21.792 0.1 . 1 . . . . . 31 VAL CG2 . 51234 1 171 . 1 . 1 31 31 VAL N N 15 128.368 0.1 . 1 . . . . . 31 VAL N . 51234 1 172 . 1 . 1 32 32 LEU H H 1 9.013 0.01 . 1 . . . . . 32 LEU HN . 51234 1 173 . 1 . 1 32 32 LEU HD11 H 1 0.495 0.01 . 1 . . . . . 32 LEU MD1 . 51234 1 174 . 1 . 1 32 32 LEU HD12 H 1 0.495 0.01 . 1 . . . . . 32 LEU MD1 . 51234 1 175 . 1 . 1 32 32 LEU HD13 H 1 0.495 0.01 . 1 . . . . . 32 LEU MD1 . 51234 1 176 . 1 . 1 32 32 LEU HD21 H 1 0.711 0.01 . 1 . . . . . 32 LEU MD2 . 51234 1 177 . 1 . 1 32 32 LEU HD22 H 1 0.711 0.01 . 1 . . . . . 32 LEU MD2 . 51234 1 178 . 1 . 1 32 32 LEU HD23 H 1 0.711 0.01 . 1 . . . . . 32 LEU MD2 . 51234 1 179 . 1 . 1 32 32 LEU CA C 13 51.85 0.1 . 1 . . . . . 32 LEU CA . 51234 1 180 . 1 . 1 32 32 LEU CD1 C 13 26.267 0.1 . 1 . . . . . 32 LEU CD1 . 51234 1 181 . 1 . 1 32 32 LEU CD2 C 13 23.618 0.1 . 1 . . . . . 32 LEU CD2 . 51234 1 182 . 1 . 1 32 32 LEU N N 15 129.408 0.1 . 1 . . . . . 32 LEU N . 51234 1 183 . 1 . 1 33 33 PRO CA C 13 62.544 0.1 . 1 . . . . . 33 PRO CA . 51234 1 184 . 1 . 1 34 34 VAL H H 1 8.823 0.01 . 1 . . . . . 34 VAL HN . 51234 1 185 . 1 . 1 34 34 VAL HG11 H 1 0.892 0.01 . 1 . . . . . 34 VAL MG1 . 51234 1 186 . 1 . 1 34 34 VAL HG12 H 1 0.892 0.01 . 1 . . . . . 34 VAL MG1 . 51234 1 187 . 1 . 1 34 34 VAL HG13 H 1 0.892 0.01 . 1 . . . . . 34 VAL MG1 . 51234 1 188 . 1 . 1 34 34 VAL HG21 H 1 0.914 0.01 . 1 . . . . . 34 VAL MG2 . 51234 1 189 . 1 . 1 34 34 VAL HG22 H 1 0.914 0.01 . 1 . . . . . 34 VAL MG2 . 51234 1 190 . 1 . 1 34 34 VAL HG23 H 1 0.914 0.01 . 1 . . . . . 34 VAL MG2 . 51234 1 191 . 1 . 1 34 34 VAL CA C 13 64.349 0.1 . 1 . . . . . 34 VAL CA . 51234 1 192 . 1 . 1 34 34 VAL CG1 C 13 19.89 0.1 . 1 . . . . . 34 VAL CG1 . 51234 1 193 . 1 . 1 34 34 VAL CG2 C 13 21.745 0.1 . 1 . . . . . 34 VAL CG2 . 51234 1 194 . 1 . 1 34 34 VAL N N 15 125.307 0.1 . 1 . . . . . 34 VAL N . 51234 1 195 . 1 . 1 35 35 GLY H H 1 8.923 0.01 . 1 . . . . . 35 GLY HN . 51234 1 196 . 1 . 1 35 35 GLY CA C 13 44.045 0.1 . 1 . . . . . 35 GLY CA . 51234 1 197 . 1 . 1 35 35 GLY N N 15 115.674 0.1 . 1 . . . . . 35 GLY N . 51234 1 198 . 1 . 1 36 36 THR H H 1 7.556 0.01 . 1 . . . . . 36 THR HN . 51234 1 199 . 1 . 1 36 36 THR HG21 H 1 1.291 0.01 . 1 . . . . . 36 THR MG . 51234 1 200 . 1 . 1 36 36 THR HG22 H 1 1.291 0.01 . 1 . . . . . 36 THR MG . 51234 1 201 . 1 . 1 36 36 THR HG23 H 1 1.291 0.01 . 1 . . . . . 36 THR MG . 51234 1 202 . 1 . 1 36 36 THR CA C 13 64.859 0.1 . 1 . . . . . 36 THR CA . 51234 1 203 . 1 . 1 36 36 THR CG2 C 13 21.689 0.1 . 1 . . . . . 36 THR CG2 . 51234 1 204 . 1 . 1 36 36 THR N N 15 117.883 0.1 . 1 . . . . . 36 THR N . 51234 1 205 . 1 . 1 37 37 ILE H H 1 8.524 0.01 . 1 . . . . . 37 ILE HN . 51234 1 206 . 1 . 1 37 37 ILE HG21 H 1 0.857 0.01 . 1 . . . . . 37 ILE MG . 51234 1 207 . 1 . 1 37 37 ILE HG22 H 1 0.857 0.01 . 1 . . . . . 37 ILE MG . 51234 1 208 . 1 . 1 37 37 ILE HG23 H 1 0.857 0.01 . 1 . . . . . 37 ILE MG . 51234 1 209 . 1 . 1 37 37 ILE HD11 H 1 0.833 0.01 . 1 . . . . . 37 ILE MD . 51234 1 210 . 1 . 1 37 37 ILE HD12 H 1 0.833 0.01 . 1 . . . . . 37 ILE MD . 51234 1 211 . 1 . 1 37 37 ILE HD13 H 1 0.833 0.01 . 1 . . . . . 37 ILE MD . 51234 1 212 . 1 . 1 37 37 ILE CA C 13 61.472 0.1 . 1 . . . . . 37 ILE CA . 51234 1 213 . 1 . 1 37 37 ILE CG2 C 13 17.287 0.1 . 1 . . . . . 37 ILE CG2 . 51234 1 214 . 1 . 1 37 37 ILE CD1 C 13 11.952 0.1 . 1 . . . . . 37 ILE CD1 . 51234 1 215 . 1 . 1 37 37 ILE N N 15 129.03 0.1 . 1 . . . . . 37 ILE N . 51234 1 216 . 1 . 1 38 38 VAL H H 1 8.009 0.01 . 1 . . . . . 38 VAL HN . 51234 1 217 . 1 . 1 38 38 VAL HG11 H 1 0.92 0.01 . 1 . . . . . 38 VAL MG1 . 51234 1 218 . 1 . 1 38 38 VAL HG12 H 1 0.92 0.01 . 1 . . . . . 38 VAL MG1 . 51234 1 219 . 1 . 1 38 38 VAL HG13 H 1 0.92 0.01 . 1 . . . . . 38 VAL MG1 . 51234 1 220 . 1 . 1 38 38 VAL HG21 H 1 0.906 0.01 . 1 . . . . . 38 VAL MG2 . 51234 1 221 . 1 . 1 38 38 VAL HG22 H 1 0.906 0.01 . 1 . . . . . 38 VAL MG2 . 51234 1 222 . 1 . 1 38 38 VAL HG23 H 1 0.906 0.01 . 1 . . . . . 38 VAL MG2 . 51234 1 223 . 1 . 1 38 38 VAL CA C 13 58.944 0.1 . 1 . . . . . 38 VAL CA . 51234 1 224 . 1 . 1 38 38 VAL CG1 C 13 22.322 0.1 . 1 . . . . . 38 VAL CG1 . 51234 1 225 . 1 . 1 38 38 VAL CG2 C 13 18.301 0.1 . 1 . . . . . 38 VAL CG2 . 51234 1 226 . 1 . 1 38 38 VAL N N 15 120.285 0.1 . 1 . . . . . 38 VAL N . 51234 1 227 . 1 . 1 39 39 THR H H 1 7.916 0.01 . 1 . . . . . 39 THR HN . 51234 1 228 . 1 . 1 39 39 THR HG21 H 1 1.252 0.01 . 1 . . . . . 39 THR MG . 51234 1 229 . 1 . 1 39 39 THR HG22 H 1 1.252 0.01 . 1 . . . . . 39 THR MG . 51234 1 230 . 1 . 1 39 39 THR HG23 H 1 1.252 0.01 . 1 . . . . . 39 THR MG . 51234 1 231 . 1 . 1 39 39 THR CA C 13 61.76 0.1 . 1 . . . . . 39 THR CA . 51234 1 232 . 1 . 1 39 39 THR CG2 C 13 21.952 0.1 . 1 . . . . . 39 THR CG2 . 51234 1 233 . 1 . 1 39 39 THR N N 15 112.02 0.1 . 1 . . . . . 39 THR N . 51234 1 234 . 1 . 1 40 40 MET H H 1 8.457 0.01 . 1 . . . . . 40 MET HN . 51234 1 235 . 1 . 1 40 40 MET CA C 13 55.782 0.1 . 1 . . . . . 40 MET CA . 51234 1 236 . 1 . 1 40 40 MET N N 15 117.515 0.1 . 1 . . . . . 40 MET N . 51234 1 237 . 1 . 1 41 41 GLU H H 1 8.474 0.01 . 1 . . . . . 41 GLU HN . 51234 1 238 . 1 . 1 41 41 GLU CA C 13 57.094 0.1 . 1 . . . . . 41 GLU CA . 51234 1 239 . 1 . 1 41 41 GLU N N 15 124.024 0.1 . 1 . . . . . 41 GLU N . 51234 1 240 . 1 . 1 42 42 TYR H H 1 8.577 0.01 . 1 . . . . . 42 TYR HN . 51234 1 241 . 1 . 1 42 42 TYR CA C 13 57.622 0.1 . 1 . . . . . 42 TYR CA . 51234 1 242 . 1 . 1 42 42 TYR N N 15 125.471 0.1 . 1 . . . . . 42 TYR N . 51234 1 243 . 1 . 1 43 43 ARG H H 1 8.754 0.01 . 1 . . . . . 43 ARG HN . 51234 1 244 . 1 . 1 43 43 ARG CA C 13 54.17 0.1 . 1 . . . . . 43 ARG CA . 51234 1 245 . 1 . 1 43 43 ARG N N 15 131.358 0.1 . 1 . . . . . 43 ARG N . 51234 1 246 . 1 . 1 44 44 ILE H H 1 7.976 0.01 . 1 . . . . . 44 ILE HN . 51234 1 247 . 1 . 1 44 44 ILE HG21 H 1 0.906 0.01 . 1 . . . . . 44 ILE MG . 51234 1 248 . 1 . 1 44 44 ILE HG22 H 1 0.906 0.01 . 1 . . . . . 44 ILE MG . 51234 1 249 . 1 . 1 44 44 ILE HG23 H 1 0.906 0.01 . 1 . . . . . 44 ILE MG . 51234 1 250 . 1 . 1 44 44 ILE HD11 H 1 0.945 0.01 . 1 . . . . . 44 ILE MD . 51234 1 251 . 1 . 1 44 44 ILE HD12 H 1 0.945 0.01 . 1 . . . . . 44 ILE MD . 51234 1 252 . 1 . 1 44 44 ILE HD13 H 1 0.945 0.01 . 1 . . . . . 44 ILE MD . 51234 1 253 . 1 . 1 44 44 ILE CA C 13 62.786 0.1 . 1 . . . . . 44 ILE CA . 51234 1 254 . 1 . 1 44 44 ILE CG2 C 13 16.69 0.1 . 1 . . . . . 44 ILE CG2 . 51234 1 255 . 1 . 1 44 44 ILE CD1 C 13 14.448 0.1 . 1 . . . . . 44 ILE CD1 . 51234 1 256 . 1 . 1 44 44 ILE N N 15 121.645 0.1 . 1 . . . . . 44 ILE N . 51234 1 257 . 1 . 1 45 45 ASP H H 1 8.267 0.01 . 1 . . . . . 45 ASP HN . 51234 1 258 . 1 . 1 45 45 ASP CA C 13 53.142 0.1 . 1 . . . . . 45 ASP CA . 51234 1 259 . 1 . 1 45 45 ASP N N 15 115.635 0.1 . 1 . . . . . 45 ASP N . 51234 1 260 . 1 . 1 46 46 ARG H H 1 7.177 0.01 . 1 . . . . . 46 ARG HN . 51234 1 261 . 1 . 1 46 46 ARG CA C 13 55.266 0.1 . 1 . . . . . 46 ARG CA . 51234 1 262 . 1 . 1 46 46 ARG N N 15 122.849 0.1 . 1 . . . . . 46 ARG N . 51234 1 263 . 1 . 1 47 47 VAL H H 1 8.003 0.01 . 1 . . . . . 47 VAL HN . 51234 1 264 . 1 . 1 47 47 VAL HG11 H 1 0.503 0.01 . 1 . . . . . 47 VAL MG1 . 51234 1 265 . 1 . 1 47 47 VAL HG12 H 1 0.503 0.01 . 1 . . . . . 47 VAL MG1 . 51234 1 266 . 1 . 1 47 47 VAL HG13 H 1 0.503 0.01 . 1 . . . . . 47 VAL MG1 . 51234 1 267 . 1 . 1 47 47 VAL HG21 H 1 0.65 0.01 . 1 . . . . . 47 VAL MG2 . 51234 1 268 . 1 . 1 47 47 VAL HG22 H 1 0.65 0.01 . 1 . . . . . 47 VAL MG2 . 51234 1 269 . 1 . 1 47 47 VAL HG23 H 1 0.65 0.01 . 1 . . . . . 47 VAL MG2 . 51234 1 270 . 1 . 1 47 47 VAL CA C 13 62.028 0.1 . 1 . . . . . 47 VAL CA . 51234 1 271 . 1 . 1 47 47 VAL CG1 C 13 20.965 0.1 . 1 . . . . . 47 VAL CG1 . 51234 1 272 . 1 . 1 47 47 VAL CG2 C 13 21.736 0.1 . 1 . . . . . 47 VAL CG2 . 51234 1 273 . 1 . 1 47 47 VAL N N 15 122.268 0.1 . 1 . . . . . 47 VAL N . 51234 1 274 . 1 . 1 48 48 ARG H H 1 8.915 0.01 . 1 . . . . . 48 ARG HN . 51234 1 275 . 1 . 1 48 48 ARG CA C 13 55.594 0.1 . 1 . . . . . 48 ARG CA . 51234 1 276 . 1 . 1 48 48 ARG N N 15 125.771 0.1 . 1 . . . . . 48 ARG N . 51234 1 277 . 1 . 1 49 49 LEU H H 1 8.938 0.01 . 1 . . . . . 49 LEU HN . 51234 1 278 . 1 . 1 49 49 LEU HD11 H 1 0.574 0.01 . 1 . . . . . 49 LEU MD1 . 51234 1 279 . 1 . 1 49 49 LEU HD12 H 1 0.574 0.01 . 1 . . . . . 49 LEU MD1 . 51234 1 280 . 1 . 1 49 49 LEU HD13 H 1 0.574 0.01 . 1 . . . . . 49 LEU MD1 . 51234 1 281 . 1 . 1 49 49 LEU HD21 H 1 0.616 0.01 . 1 . . . . . 49 LEU MD2 . 51234 1 282 . 1 . 1 49 49 LEU HD22 H 1 0.616 0.01 . 1 . . . . . 49 LEU MD2 . 51234 1 283 . 1 . 1 49 49 LEU HD23 H 1 0.616 0.01 . 1 . . . . . 49 LEU MD2 . 51234 1 284 . 1 . 1 49 49 LEU CA C 13 52.353 0.1 . 1 . . . . . 49 LEU CA . 51234 1 285 . 1 . 1 49 49 LEU CD1 C 13 26.873 0.1 . 1 . . . . . 49 LEU CD1 . 51234 1 286 . 1 . 1 49 49 LEU CD2 C 13 24.32 0.1 . 1 . . . . . 49 LEU CD2 . 51234 1 287 . 1 . 1 49 49 LEU N N 15 123.594 0.1 . 1 . . . . . 49 LEU N . 51234 1 288 . 1 . 1 50 50 PHE H H 1 9.022 0.01 . 1 . . . . . 50 PHE HN . 51234 1 289 . 1 . 1 50 50 PHE CA C 13 56.407 0.1 . 1 . . . . . 50 PHE CA . 51234 1 290 . 1 . 1 50 50 PHE N N 15 123.254 0.1 . 1 . . . . . 50 PHE N . 51234 1 291 . 1 . 1 51 51 VAL H H 1 8.718 0.01 . 1 . . . . . 51 VAL HN . 51234 1 292 . 1 . 1 51 51 VAL HG11 H 1 0.572 0.01 . 1 . . . . . 51 VAL MG1 . 51234 1 293 . 1 . 1 51 51 VAL HG12 H 1 0.572 0.01 . 1 . . . . . 51 VAL MG1 . 51234 1 294 . 1 . 1 51 51 VAL HG13 H 1 0.572 0.01 . 1 . . . . . 51 VAL MG1 . 51234 1 295 . 1 . 1 51 51 VAL HG21 H 1 0.781 0.01 . 1 . . . . . 51 VAL MG2 . 51234 1 296 . 1 . 1 51 51 VAL HG22 H 1 0.781 0.01 . 1 . . . . . 51 VAL MG2 . 51234 1 297 . 1 . 1 51 51 VAL HG23 H 1 0.781 0.01 . 1 . . . . . 51 VAL MG2 . 51234 1 298 . 1 . 1 51 51 VAL CA C 13 58.653 0.1 . 1 . . . . . 51 VAL CA . 51234 1 299 . 1 . 1 51 51 VAL CG1 C 13 21.369 0.1 . 1 . . . . . 51 VAL CG1 . 51234 1 300 . 1 . 1 51 51 VAL CG2 C 13 18.006 0.1 . 1 . . . . . 51 VAL CG2 . 51234 1 301 . 1 . 1 51 51 VAL N N 15 114.9 0.1 . 1 . . . . . 51 VAL N . 51234 1 302 . 1 . 1 52 52 ASP H H 1 8.741 0.01 . 1 . . . . . 52 ASP HN . 51234 1 303 . 1 . 1 52 52 ASP CA C 13 52.346 0.1 . 1 . . . . . 52 ASP CA . 51234 1 304 . 1 . 1 52 52 ASP N N 15 123.706 0.1 . 1 . . . . . 52 ASP N . 51234 1 305 . 1 . 1 53 53 LYS H H 1 8.136 0.01 . 1 . . . . . 53 LYS HN . 51234 1 306 . 1 . 1 53 53 LYS CA C 13 58.15 0.1 . 1 . . . . . 53 LYS CA . 51234 1 307 . 1 . 1 53 53 LYS N N 15 115.792 0.1 . 1 . . . . . 53 LYS N . 51234 1 308 . 1 . 1 54 54 LEU H H 1 8.025 0.01 . 1 . . . . . 54 LEU HN . 51234 1 309 . 1 . 1 54 54 LEU HD11 H 1 0.856 0.01 . 1 . . . . . 54 LEU MD1 . 51234 1 310 . 1 . 1 54 54 LEU HD12 H 1 0.856 0.01 . 1 . . . . . 54 LEU MD1 . 51234 1 311 . 1 . 1 54 54 LEU HD13 H 1 0.856 0.01 . 1 . . . . . 54 LEU MD1 . 51234 1 312 . 1 . 1 54 54 LEU HD21 H 1 0.795 0.01 . 1 . . . . . 54 LEU MD2 . 51234 1 313 . 1 . 1 54 54 LEU HD22 H 1 0.795 0.01 . 1 . . . . . 54 LEU MD2 . 51234 1 314 . 1 . 1 54 54 LEU HD23 H 1 0.795 0.01 . 1 . . . . . 54 LEU MD2 . 51234 1 315 . 1 . 1 54 54 LEU CA C 13 54.252 0.1 . 1 . . . . . 54 LEU CA . 51234 1 316 . 1 . 1 54 54 LEU CD1 C 13 25.137 0.1 . 1 . . . . . 54 LEU CD1 . 51234 1 317 . 1 . 1 54 54 LEU CD2 C 13 22.968 0.1 . 1 . . . . . 54 LEU CD2 . 51234 1 318 . 1 . 1 54 54 LEU N N 15 121.32 0.1 . 1 . . . . . 54 LEU N . 51234 1 319 . 1 . 1 55 55 ASP H H 1 8.08 0.01 . 1 . . . . . 55 ASP HN . 51234 1 320 . 1 . 1 55 55 ASP CA C 13 56.205 0.1 . 1 . . . . . 55 ASP CA . 51234 1 321 . 1 . 1 55 55 ASP N N 15 114.766 0.1 . 1 . . . . . 55 ASP N . 51234 1 322 . 1 . 1 56 56 ASN H H 1 8.082 0.01 . 1 . . . . . 56 ASN HN . 51234 1 323 . 1 . 1 56 56 ASN CA C 13 51.179 0.1 . 1 . . . . . 56 ASN CA . 51234 1 324 . 1 . 1 56 56 ASN N N 15 114.231 0.1 . 1 . . . . . 56 ASN N . 51234 1 325 . 1 . 1 57 57 VAL H H 1 9.105 0.01 . 1 . . . . . 57 VAL HN . 51234 1 326 . 1 . 1 57 57 VAL HG11 H 1 1.036 0.01 . 1 . . . . . 57 VAL MG1 . 51234 1 327 . 1 . 1 57 57 VAL HG12 H 1 1.036 0.01 . 1 . . . . . 57 VAL MG1 . 51234 1 328 . 1 . 1 57 57 VAL HG13 H 1 1.036 0.01 . 1 . . . . . 57 VAL MG1 . 51234 1 329 . 1 . 1 57 57 VAL HG21 H 1 0.837 0.01 . 1 . . . . . 57 VAL MG2 . 51234 1 330 . 1 . 1 57 57 VAL HG22 H 1 0.837 0.01 . 1 . . . . . 57 VAL MG2 . 51234 1 331 . 1 . 1 57 57 VAL HG23 H 1 0.837 0.01 . 1 . . . . . 57 VAL MG2 . 51234 1 332 . 1 . 1 57 57 VAL CA C 13 65.041 0.1 . 1 . . . . . 57 VAL CA . 51234 1 333 . 1 . 1 57 57 VAL CG1 C 13 23.23 0.1 . 1 . . . . . 57 VAL CG1 . 51234 1 334 . 1 . 1 57 57 VAL CG2 C 13 23.207 0.1 . 1 . . . . . 57 VAL CG2 . 51234 1 335 . 1 . 1 57 57 VAL N N 15 121.524 0.1 . 1 . . . . . 57 VAL N . 51234 1 336 . 1 . 1 58 58 ALA H H 1 9.566 0.01 . 1 . . . . . 58 ALA HN . 51234 1 337 . 1 . 1 58 58 ALA HB1 H 1 1.384 0.01 . 1 . . . . . 58 ALA MB . 51234 1 338 . 1 . 1 58 58 ALA HB2 H 1 1.384 0.01 . 1 . . . . . 58 ALA MB . 51234 1 339 . 1 . 1 58 58 ALA HB3 H 1 1.384 0.01 . 1 . . . . . 58 ALA MB . 51234 1 340 . 1 . 1 58 58 ALA CA C 13 52.599 0.1 . 1 . . . . . 58 ALA CA . 51234 1 341 . 1 . 1 58 58 ALA CB C 13 21.732 0.1 . 1 . . . . . 58 ALA CB . 51234 1 342 . 1 . 1 58 58 ALA N N 15 132.105 0.1 . 1 . . . . . 58 ALA N . 51234 1 343 . 1 . 1 59 59 GLN H H 1 7.251 0.01 . 1 . . . . . 59 GLN HN . 51234 1 344 . 1 . 1 59 59 GLN CA C 13 53.444 0.1 . 1 . . . . . 59 GLN CA . 51234 1 345 . 1 . 1 59 59 GLN N N 15 114.397 0.1 . 1 . . . . . 59 GLN N . 51234 1 346 . 1 . 1 60 60 VAL H H 1 8.881 0.01 . 1 . . . . . 60 VAL HN . 51234 1 347 . 1 . 1 60 60 VAL HG11 H 1 0.814 0.01 . 1 . . . . . 60 VAL MG1 . 51234 1 348 . 1 . 1 60 60 VAL HG12 H 1 0.814 0.01 . 1 . . . . . 60 VAL MG1 . 51234 1 349 . 1 . 1 60 60 VAL HG13 H 1 0.814 0.01 . 1 . . . . . 60 VAL MG1 . 51234 1 350 . 1 . 1 60 60 VAL HG21 H 1 1.124 0.01 . 1 . . . . . 60 VAL MG2 . 51234 1 351 . 1 . 1 60 60 VAL HG22 H 1 1.124 0.01 . 1 . . . . . 60 VAL MG2 . 51234 1 352 . 1 . 1 60 60 VAL HG23 H 1 1.124 0.01 . 1 . . . . . 60 VAL MG2 . 51234 1 353 . 1 . 1 60 60 VAL CA C 13 62.602 0.1 . 1 . . . . . 60 VAL CA . 51234 1 354 . 1 . 1 60 60 VAL CG1 C 13 20.029 0.1 . 1 . . . . . 60 VAL CG1 . 51234 1 355 . 1 . 1 60 60 VAL CG2 C 13 22.115 0.1 . 1 . . . . . 60 VAL CG2 . 51234 1 356 . 1 . 1 60 60 VAL N N 15 125.76 0.1 . 1 . . . . . 60 VAL N . 51234 1 357 . 1 . 1 61 61 PRO CA C 13 62.424 0.1 . 1 . . . . . 61 PRO CA . 51234 1 358 . 1 . 1 62 62 ARG H H 1 9.263 0.01 . 1 . . . . . 62 ARG HN . 51234 1 359 . 1 . 1 62 62 ARG CA C 13 54.665 0.1 . 1 . . . . . 62 ARG CA . 51234 1 360 . 1 . 1 62 62 ARG N N 15 122.855 0.1 . 1 . . . . . 62 ARG N . 51234 1 361 . 1 . 1 63 63 VAL H H 1 8.447 0.01 . 1 . . . . . 63 VAL HN . 51234 1 362 . 1 . 1 63 63 VAL HG11 H 1 1.111 0.01 . 1 . . . . . 63 VAL MG1 . 51234 1 363 . 1 . 1 63 63 VAL HG12 H 1 1.111 0.01 . 1 . . . . . 63 VAL MG1 . 51234 1 364 . 1 . 1 63 63 VAL HG13 H 1 1.111 0.01 . 1 . . . . . 63 VAL MG1 . 51234 1 365 . 1 . 1 63 63 VAL HG21 H 1 1.261 0.01 . 1 . . . . . 63 VAL MG2 . 51234 1 366 . 1 . 1 63 63 VAL HG22 H 1 1.261 0.01 . 1 . . . . . 63 VAL MG2 . 51234 1 367 . 1 . 1 63 63 VAL HG23 H 1 1.261 0.01 . 1 . . . . . 63 VAL MG2 . 51234 1 368 . 1 . 1 63 63 VAL CA C 13 62.947 0.1 . 1 . . . . . 63 VAL CA . 51234 1 369 . 1 . 1 63 63 VAL CG1 C 13 22.293 0.1 . 1 . . . . . 63 VAL CG1 . 51234 1 370 . 1 . 1 63 63 VAL CG2 C 13 23.245 0.1 . 1 . . . . . 63 VAL CG2 . 51234 1 371 . 1 . 1 63 63 VAL N N 15 122.32 0.1 . 1 . . . . . 63 VAL N . 51234 1 372 . 1 . 1 64 64 GLY H H 1 8.698 0.01 . 1 . . . . . 64 GLY HN . 51234 1 373 . 1 . 1 64 64 GLY CA C 13 47.353 0.1 . 1 . . . . . 64 GLY CA . 51234 1 374 . 1 . 1 64 64 GLY N N 15 122.192 0.1 . 1 . . . . . 64 GLY N . 51234 1 stop_ save_