################################### # 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 51230 _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' . . . 51230 1 2 '3D HNCO' . . . 51230 1 3 '3D HNCA' . . . 51230 1 4 '3D HNCACO' . . . 51230 1 5 '3D HNCACB' . . . 51230 1 6 '3D CBCA(CO)NH' . . . 51230 1 14 '3D H(CCO)NH' . . . 51230 1 15 '3D (H)C(CO)NH' . . . 51230 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 . . 51230 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 C C 13 171.558 0.1 . 1 . . . . . 1 MET C . 51230 1 2 . 1 . 1 1 1 MET CA C 13 54.999 0.1 . 1 . . . . . 1 MET CA . 51230 1 3 . 1 . 1 1 1 MET CB C 13 33.021 0.1 . 1 . . . . . 1 MET CB . 51230 1 4 . 1 . 1 2 2 LYS H H 1 8.777 0.01 . 1 . . . . . 2 LYS HN . 51230 1 5 . 1 . 1 2 2 LYS C C 13 175.318 0.1 . 1 . . . . . 2 LYS C . 51230 1 6 . 1 . 1 2 2 LYS CA C 13 56.615 0.1 . 1 . . . . . 2 LYS CA . 51230 1 7 . 1 . 1 2 2 LYS CB C 13 33.9 0.1 . 1 . . . . . 2 LYS CB . 51230 1 8 . 1 . 1 2 2 LYS N N 15 126.888 0.1 . 1 . . . . . 2 LYS N . 51230 1 9 . 1 . 1 3 3 THR H H 1 8.456 0.01 . 1 . . . . . 3 THR HN . 51230 1 10 . 1 . 1 3 3 THR HG21 H 1 1.073 0.01 . 1 . . . . . 3 THR MG . 51230 1 11 . 1 . 1 3 3 THR HG22 H 1 1.073 0.01 . 1 . . . . . 3 THR MG . 51230 1 12 . 1 . 1 3 3 THR HG23 H 1 1.073 0.01 . 1 . . . . . 3 THR MG . 51230 1 13 . 1 . 1 3 3 THR C C 13 173.041 0.1 . 1 . . . . . 3 THR C . 51230 1 14 . 1 . 1 3 3 THR CA C 13 61.041 0.1 . 1 . . . . . 3 THR CA . 51230 1 15 . 1 . 1 3 3 THR CB C 13 70.345 0.1 . 1 . . . . . 3 THR CB . 51230 1 16 . 1 . 1 3 3 THR CG2 C 13 21.79 0.1 . 1 . . . . . 3 THR CG2 . 51230 1 17 . 1 . 1 3 3 THR N N 15 112.093 0.1 . 1 . . . . . 3 THR N . 51230 1 18 . 1 . 1 4 4 GLU H H 1 6.693 0.01 . 1 . . . . . 4 GLU HN . 51230 1 19 . 1 . 1 4 4 GLU C C 13 174.864 0.1 . 1 . . . . . 4 GLU C . 51230 1 20 . 1 . 1 4 4 GLU CA C 13 55.173 0.1 . 1 . . . . . 4 GLU CA . 51230 1 21 . 1 . 1 4 4 GLU CB C 13 33.021 0.1 . 1 . . . . . 4 GLU CB . 51230 1 22 . 1 . 1 4 4 GLU N N 15 116.377 0.1 . 1 . . . . . 4 GLU N . 51230 1 23 . 1 . 1 5 5 TRP H H 1 8.259 0.01 . 1 . . . . . 5 TRP HN . 51230 1 24 . 1 . 1 5 5 TRP HE1 H 1 11.537 0.01 . 1 . . . . . 5 TRP HE1 . 51230 1 25 . 1 . 1 5 5 TRP C C 13 174.41 0.1 . 1 . . . . . 5 TRP C . 51230 1 26 . 1 . 1 5 5 TRP CA C 13 56.593 0.1 . 1 . . . . . 5 TRP CA . 51230 1 27 . 1 . 1 5 5 TRP CB C 13 31.928 0.1 . 1 . . . . . 5 TRP CB . 51230 1 28 . 1 . 1 5 5 TRP N N 15 118.359 0.1 . 1 . . . . . 5 TRP N . 51230 1 29 . 1 . 1 5 5 TRP NE1 N 15 131.311 0.1 . 1 . . . . . 5 TRP NE1 . 51230 1 30 . 1 . 1 6 6 PRO C C 13 178.07 0.1 . 1 . . . . . 6 PRO C . 51230 1 31 . 1 . 1 6 6 PRO CA C 13 65.768 0.1 . 1 . . . . . 6 PRO CA . 51230 1 32 . 1 . 1 6 6 PRO CB C 13 31.084 0.1 . 1 . . . . . 6 PRO CB . 51230 1 33 . 1 . 1 7 7 GLU H H 1 10.76 0.01 . 1 . . . . . 7 GLU HN . 51230 1 34 . 1 . 1 7 7 GLU C C 13 176.902 0.1 . 1 . . . . . 7 GLU C . 51230 1 35 . 1 . 1 7 7 GLU CA C 13 57.882 0.1 . 1 . . . . . 7 GLU CA . 51230 1 36 . 1 . 1 7 7 GLU CB C 13 27.723 0.1 . 1 . . . . . 7 GLU CB . 51230 1 37 . 1 . 1 7 7 GLU N N 15 119.855 0.1 . 1 . . . . . 7 GLU N . 51230 1 38 . 1 . 1 8 8 LEU H H 1 7.88 0.01 . 1 . . . . . 8 LEU HN . 51230 1 39 . 1 . 1 8 8 LEU HD11 H 1 0.8 0.01 . 1 . . . . . 8 LEU MD1 . 51230 1 40 . 1 . 1 8 8 LEU HD12 H 1 0.8 0.01 . 1 . . . . . 8 LEU MD1 . 51230 1 41 . 1 . 1 8 8 LEU HD13 H 1 0.8 0.01 . 1 . . . . . 8 LEU MD1 . 51230 1 42 . 1 . 1 8 8 LEU HD21 H 1 0.813 0.01 . 1 . . . . . 8 LEU MD2 . 51230 1 43 . 1 . 1 8 8 LEU HD22 H 1 0.813 0.01 . 1 . . . . . 8 LEU MD2 . 51230 1 44 . 1 . 1 8 8 LEU HD23 H 1 0.813 0.01 . 1 . . . . . 8 LEU MD2 . 51230 1 45 . 1 . 1 8 8 LEU C C 13 177.034 0.1 . 1 . . . . . 8 LEU C . 51230 1 46 . 1 . 1 8 8 LEU CA C 13 54.353 0.1 . 1 . . . . . 8 LEU CA . 51230 1 47 . 1 . 1 8 8 LEU CB C 13 42.563 0.1 . 1 . . . . . 8 LEU CB . 51230 1 48 . 1 . 1 8 8 LEU CD1 C 13 25.815 0.1 . 1 . . . . . 8 LEU CD1 . 51230 1 49 . 1 . 1 8 8 LEU CD2 C 13 22.164 0.1 . 1 . . . . . 8 LEU CD2 . 51230 1 50 . 1 . 1 8 8 LEU N N 15 118.511 0.1 . 1 . . . . . 8 LEU N . 51230 1 51 . 1 . 1 9 9 VAL H H 1 7.142 0.01 . 1 . . . . . 9 VAL HN . 51230 1 52 . 1 . 1 9 9 VAL HG11 H 1 0.841 0.01 . 1 . . . . . 9 VAL MG1 . 51230 1 53 . 1 . 1 9 9 VAL HG12 H 1 0.841 0.01 . 1 . . . . . 9 VAL MG1 . 51230 1 54 . 1 . 1 9 9 VAL HG13 H 1 0.841 0.01 . 1 . . . . . 9 VAL MG1 . 51230 1 55 . 1 . 1 9 9 VAL HG21 H 1 0.957 0.01 . 1 . . . . . 9 VAL MG2 . 51230 1 56 . 1 . 1 9 9 VAL HG22 H 1 0.957 0.01 . 1 . . . . . 9 VAL MG2 . 51230 1 57 . 1 . 1 9 9 VAL HG23 H 1 0.957 0.01 . 1 . . . . . 9 VAL MG2 . 51230 1 58 . 1 . 1 9 9 VAL C C 13 177.16 0.1 . 1 . . . . . 9 VAL C . 51230 1 59 . 1 . 1 9 9 VAL CA C 13 66.388 0.1 . 1 . . . . . 9 VAL CA . 51230 1 60 . 1 . 1 9 9 VAL CB C 13 30.854 0.1 . 1 . . . . . 9 VAL CB . 51230 1 61 . 1 . 1 9 9 VAL CG1 C 13 21.08 0.1 . 1 . . . . . 9 VAL CG1 . 51230 1 62 . 1 . 1 9 9 VAL CG2 C 13 23.33 0.1 . 1 . . . . . 9 VAL CG2 . 51230 1 63 . 1 . 1 9 9 VAL N N 15 118.981 0.1 . 1 . . . . . 9 VAL N . 51230 1 64 . 1 . 1 10 10 GLY H H 1 9.1 0.01 . 1 . . . . . 10 GLY HN . 51230 1 65 . 1 . 1 10 10 GLY C C 13 173.846 0.1 . 1 . . . . . 10 GLY C . 51230 1 66 . 1 . 1 10 10 GLY CA C 13 45.035 0.1 . 1 . . . . . 10 GLY CA . 51230 1 67 . 1 . 1 10 10 GLY N N 15 115.984 0.1 . 1 . . . . . 10 GLY N . 51230 1 68 . 1 . 1 11 11 LYS H H 1 7.791 0.01 . 1 . . . . . 11 LYS HN . 51230 1 69 . 1 . 1 11 11 LYS C C 13 175.248 0.1 . 1 . . . . . 11 LYS C . 51230 1 70 . 1 . 1 11 11 LYS CA C 13 54.149 0.1 . 1 . . . . . 11 LYS CA . 51230 1 71 . 1 . 1 11 11 LYS CB C 13 32.71 0.1 . 1 . . . . . 11 LYS CB . 51230 1 72 . 1 . 1 11 11 LYS N N 15 118.611 0.1 . 1 . . . . . 11 LYS N . 51230 1 73 . 1 . 1 12 12 SER H H 1 8.588 0.01 . 1 . . . . . 12 SER HN . 51230 1 74 . 1 . 1 12 12 SER C C 13 176.091 0.1 . 1 . . . . . 12 SER C . 51230 1 75 . 1 . 1 12 12 SER CA C 13 58.168 0.1 . 1 . . . . . 12 SER CA . 51230 1 76 . 1 . 1 12 12 SER CB C 13 65.229 0.1 . 1 . . . . . 12 SER CB . 51230 1 77 . 1 . 1 12 12 SER N N 15 115.198 0.1 . 1 . . . . . 12 SER N . 51230 1 78 . 1 . 1 13 13 VAL H H 1 8.426 0.01 . 1 . . . . . 13 VAL HN . 51230 1 79 . 1 . 1 13 13 VAL HG11 H 1 0.911 0.01 . 1 . . . . . 13 VAL MG1 . 51230 1 80 . 1 . 1 13 13 VAL HG12 H 1 0.911 0.01 . 1 . . . . . 13 VAL MG1 . 51230 1 81 . 1 . 1 13 13 VAL HG13 H 1 0.911 0.01 . 1 . . . . . 13 VAL MG1 . 51230 1 82 . 1 . 1 13 13 VAL HG21 H 1 0.901 0.01 . 1 . . . . . 13 VAL MG2 . 51230 1 83 . 1 . 1 13 13 VAL HG22 H 1 0.901 0.01 . 1 . . . . . 13 VAL MG2 . 51230 1 84 . 1 . 1 13 13 VAL HG23 H 1 0.901 0.01 . 1 . . . . . 13 VAL MG2 . 51230 1 85 . 1 . 1 13 13 VAL C C 13 176.807 0.1 . 1 . . . . . 13 VAL C . 51230 1 86 . 1 . 1 13 13 VAL CA C 13 66.428 0.1 . 1 . . . . . 13 VAL CA . 51230 1 87 . 1 . 1 13 13 VAL CB C 13 31.736 0.1 . 1 . . . . . 13 VAL CB . 51230 1 88 . 1 . 1 13 13 VAL CG1 C 13 21.784 0.1 . 1 . . . . . 13 VAL CG1 . 51230 1 89 . 1 . 1 13 13 VAL CG2 C 13 23.882 0.1 . 1 . . . . . 13 VAL CG2 . 51230 1 90 . 1 . 1 13 13 VAL N N 15 121.504 0.1 . 1 . . . . . 13 VAL N . 51230 1 91 . 1 . 1 14 14 GLU H H 1 8.286 0.01 . 1 . . . . . 14 GLU HN . 51230 1 92 . 1 . 1 14 14 GLU C C 13 179.488 0.1 . 1 . . . . . 14 GLU C . 51230 1 93 . 1 . 1 14 14 GLU CA C 13 59.807 0.1 . 1 . . . . . 14 GLU CA . 51230 1 94 . 1 . 1 14 14 GLU CB C 13 28.885 0.1 . 1 . . . . . 14 GLU CB . 51230 1 95 . 1 . 1 14 14 GLU N N 15 118.326 0.1 . 1 . . . . . 14 GLU N . 51230 1 96 . 1 . 1 15 15 GLU H H 1 7.646 0.01 . 1 . . . . . 15 GLU HN . 51230 1 97 . 1 . 1 15 15 GLU C C 13 178.365 0.1 . 1 . . . . . 15 GLU C . 51230 1 98 . 1 . 1 15 15 GLU CA C 13 58.921 0.1 . 1 . . . . . 15 GLU CA . 51230 1 99 . 1 . 1 15 15 GLU CB C 13 29.411 0.1 . 1 . . . . . 15 GLU CB . 51230 1 100 . 1 . 1 15 15 GLU N N 15 120.045 0.1 . 1 . . . . . 15 GLU N . 51230 1 101 . 1 . 1 16 16 ALA H H 1 8.424 0.01 . 1 . . . . . 16 ALA HN . 51230 1 102 . 1 . 1 16 16 ALA HB1 H 1 1.337 0.01 . 1 . . . . . 16 ALA MB . 51230 1 103 . 1 . 1 16 16 ALA HB2 H 1 1.337 0.01 . 1 . . . . . 16 ALA MB . 51230 1 104 . 1 . 1 16 16 ALA HB3 H 1 1.337 0.01 . 1 . . . . . 16 ALA MB . 51230 1 105 . 1 . 1 16 16 ALA C C 13 178.771 0.1 . 1 . . . . . 16 ALA C . 51230 1 106 . 1 . 1 16 16 ALA CA C 13 54.651 0.1 . 1 . . . . . 16 ALA CA . 51230 1 107 . 1 . 1 16 16 ALA CB C 13 19.469 0.1 . 1 . . . . . 16 ALA CB . 51230 1 108 . 1 . 1 16 16 ALA N N 15 119.964 0.1 . 1 . . . . . 16 ALA N . 51230 1 109 . 1 . 1 17 17 LYS H H 1 8.49 0.01 . 1 . . . . . 17 LYS HN . 51230 1 110 . 1 . 1 17 17 LYS C C 13 176.925 0.1 . 1 . . . . . 17 LYS C . 51230 1 111 . 1 . 1 17 17 LYS CA C 13 60.815 0.1 . 1 . . . . . 17 LYS CA . 51230 1 112 . 1 . 1 17 17 LYS CB C 13 32.816 0.1 . 1 . . . . . 17 LYS CB . 51230 1 113 . 1 . 1 17 17 LYS N N 15 115.642 0.1 . 1 . . . . . 17 LYS N . 51230 1 114 . 1 . 1 18 18 LYS H H 1 6.946 0.01 . 1 . . . . . 18 LYS HN . 51230 1 115 . 1 . 1 18 18 LYS C C 13 179.291 0.1 . 1 . . . . . 18 LYS C . 51230 1 116 . 1 . 1 18 18 LYS CA C 13 59.454 0.1 . 1 . . . . . 18 LYS CA . 51230 1 117 . 1 . 1 18 18 LYS CB C 13 32.554 0.1 . 1 . . . . . 18 LYS CB . 51230 1 118 . 1 . 1 18 18 LYS N N 15 115.093 0.1 . 1 . . . . . 18 LYS N . 51230 1 119 . 1 . 1 19 19 VAL H H 1 7.414 0.01 . 1 . . . . . 19 VAL HN . 51230 1 120 . 1 . 1 19 19 VAL HG11 H 1 1.002 0.01 . 1 . . . . . 19 VAL MG1 . 51230 1 121 . 1 . 1 19 19 VAL HG12 H 1 1.002 0.01 . 1 . . . . . 19 VAL MG1 . 51230 1 122 . 1 . 1 19 19 VAL HG13 H 1 1.002 0.01 . 1 . . . . . 19 VAL MG1 . 51230 1 123 . 1 . 1 19 19 VAL HG21 H 1 1.032 0.01 . 1 . . . . . 19 VAL MG2 . 51230 1 124 . 1 . 1 19 19 VAL HG22 H 1 1.032 0.01 . 1 . . . . . 19 VAL MG2 . 51230 1 125 . 1 . 1 19 19 VAL HG23 H 1 1.032 0.01 . 1 . . . . . 19 VAL MG2 . 51230 1 126 . 1 . 1 19 19 VAL C C 13 178.071 0.1 . 1 . . . . . 19 VAL C . 51230 1 127 . 1 . 1 19 19 VAL CA C 13 66.206 0.1 . 1 . . . . . 19 VAL CA . 51230 1 128 . 1 . 1 19 19 VAL CB C 13 32.475 0.1 . 1 . . . . . 19 VAL CB . 51230 1 129 . 1 . 1 19 19 VAL CG1 C 13 21.47 0.1 . 1 . . . . . 19 VAL CG1 . 51230 1 130 . 1 . 1 19 19 VAL CG2 C 13 22.487 0.1 . 1 . . . . . 19 VAL CG2 . 51230 1 131 . 1 . 1 19 19 VAL N N 15 119.148 0.1 . 1 . . . . . 19 VAL N . 51230 1 132 . 1 . 1 20 20 ILE H H 1 8.106 0.01 . 1 . . . . . 20 ILE HN . 51230 1 133 . 1 . 1 20 20 ILE HG21 H 1 0.042 0.01 . 1 . . . . . 20 ILE MG . 51230 1 134 . 1 . 1 20 20 ILE HG22 H 1 0.042 0.01 . 1 . . . . . 20 ILE MG . 51230 1 135 . 1 . 1 20 20 ILE HG23 H 1 0.042 0.01 . 1 . . . . . 20 ILE MG . 51230 1 136 . 1 . 1 20 20 ILE HD11 H 1 -0.152 0.01 . 1 . . . . . 20 ILE MD . 51230 1 137 . 1 . 1 20 20 ILE HD12 H 1 -0.152 0.01 . 1 . . . . . 20 ILE MD . 51230 1 138 . 1 . 1 20 20 ILE HD13 H 1 -0.152 0.01 . 1 . . . . . 20 ILE MD . 51230 1 139 . 1 . 1 20 20 ILE C C 13 177.422 0.1 . 1 . . . . . 20 ILE C . 51230 1 140 . 1 . 1 20 20 ILE CA C 13 65.394 0.1 . 1 . . . . . 20 ILE CA . 51230 1 141 . 1 . 1 20 20 ILE CB C 13 37.045 0.1 . 1 . . . . . 20 ILE CB . 51230 1 142 . 1 . 1 20 20 ILE CG1 C 13 27.444 0.1 . 1 . . . . . 20 ILE CG1 . 51230 1 143 . 1 . 1 20 20 ILE CG2 C 13 16.662 0.1 . 1 . . . . . 20 ILE CG2 . 51230 1 144 . 1 . 1 20 20 ILE CD1 C 13 14.186 0.1 . 1 . . . . . 20 ILE CD1 . 51230 1 145 . 1 . 1 20 20 ILE N N 15 119.267 0.1 . 1 . . . . . 20 ILE N . 51230 1 146 . 1 . 1 21 21 LEU H H 1 7.906 0.01 . 1 . . . . . 21 LEU HN . 51230 1 147 . 1 . 1 21 21 LEU HD11 H 1 0.769 0.01 . 1 . . . . . 21 LEU MD1 . 51230 1 148 . 1 . 1 21 21 LEU HD12 H 1 0.769 0.01 . 1 . . . . . 21 LEU MD1 . 51230 1 149 . 1 . 1 21 21 LEU HD13 H 1 0.769 0.01 . 1 . . . . . 21 LEU MD1 . 51230 1 150 . 1 . 1 21 21 LEU HD21 H 1 0.871 0.01 . 1 . . . . . 21 LEU MD2 . 51230 1 151 . 1 . 1 21 21 LEU HD22 H 1 0.871 0.01 . 1 . . . . . 21 LEU MD2 . 51230 1 152 . 1 . 1 21 21 LEU HD23 H 1 0.871 0.01 . 1 . . . . . 21 LEU MD2 . 51230 1 153 . 1 . 1 21 21 LEU C C 13 179.535 0.1 . 1 . . . . . 21 LEU C . 51230 1 154 . 1 . 1 21 21 LEU CA C 13 56.772 0.1 . 1 . . . . . 21 LEU CA . 51230 1 155 . 1 . 1 21 21 LEU CB C 13 41.234 0.1 . 1 . . . . . 21 LEU CB . 51230 1 156 . 1 . 1 21 21 LEU CD1 C 13 25.127 0.1 . 1 . . . . . 21 LEU CD1 . 51230 1 157 . 1 . 1 21 21 LEU CD2 C 13 23.184 0.1 . 1 . . . . . 21 LEU CD2 . 51230 1 158 . 1 . 1 21 21 LEU N N 15 115.623 0.1 . 1 . . . . . 21 LEU N . 51230 1 159 . 1 . 1 22 22 GLN H H 1 7.29 0.01 . 1 . . . . . 22 GLN HN . 51230 1 160 . 1 . 1 22 22 GLN HE21 H 1 6.466 0.01 . 2 . . . . . 22 GLN HE21 . 51230 1 161 . 1 . 1 22 22 GLN HE22 H 1 7.4 0.01 . 2 . . . . . 22 GLN HE22 . 51230 1 162 . 1 . 1 22 22 GLN C C 13 177.701 0.1 . 1 . . . . . 22 GLN C . 51230 1 163 . 1 . 1 22 22 GLN CA C 13 58.344 0.1 . 1 . . . . . 22 GLN CA . 51230 1 164 . 1 . 1 22 22 GLN CB C 13 28.642 0.1 . 1 . . . . . 22 GLN CB . 51230 1 165 . 1 . 1 22 22 GLN N N 15 117.633 0.1 . 1 . . . . . 22 GLN N . 51230 1 166 . 1 . 1 22 22 GLN NE2 N 15 112.158 0.1 . 1 . . . . . 22 GLN NE2 . 51230 1 167 . 1 . 1 23 23 ASP H H 1 7.603 0.01 . 1 . . . . . 23 ASP HN . 51230 1 168 . 1 . 1 23 23 ASP C C 13 176.794 0.1 . 1 . . . . . 23 ASP C . 51230 1 169 . 1 . 1 23 23 ASP CA C 13 56.417 0.1 . 1 . . . . . 23 ASP CA . 51230 1 170 . 1 . 1 23 23 ASP CB C 13 42.914 0.1 . 1 . . . . . 23 ASP CB . 51230 1 171 . 1 . 1 23 23 ASP N N 15 118.112 0.1 . 1 . . . . . 23 ASP N . 51230 1 172 . 1 . 1 24 24 LYS H H 1 9.139 0.01 . 1 . . . . . 24 LYS HN . 51230 1 173 . 1 . 1 24 24 LYS C C 13 171.741 0.1 . 1 . . . . . 24 LYS C . 51230 1 174 . 1 . 1 24 24 LYS CA C 13 53.987 0.1 . 1 . . . . . 24 LYS CA . 51230 1 175 . 1 . 1 24 24 LYS CB C 13 33.825 0.1 . 1 . . . . . 24 LYS CB . 51230 1 176 . 1 . 1 24 24 LYS N N 15 123.947 0.1 . 1 . . . . . 24 LYS N . 51230 1 177 . 1 . 1 25 25 PRO C C 13 177.853 0.1 . 1 . . . . . 25 PRO C . 51230 1 178 . 1 . 1 25 25 PRO CA C 13 65.075 0.1 . 1 . . . . . 25 PRO CA . 51230 1 179 . 1 . 1 25 25 PRO CB C 13 32.069 0.1 . 1 . . . . . 25 PRO CB . 51230 1 180 . 1 . 1 26 26 GLU H H 1 9.533 0.01 . 1 . . . . . 26 GLU HN . 51230 1 181 . 1 . 1 26 26 GLU C C 13 175.956 0.1 . 1 . . . . . 26 GLU C . 51230 1 182 . 1 . 1 26 26 GLU CA C 13 55.621 0.1 . 1 . . . . . 26 GLU CA . 51230 1 183 . 1 . 1 26 26 GLU CB C 13 27.985 0.1 . 1 . . . . . 26 GLU CB . 51230 1 184 . 1 . 1 26 26 GLU N N 15 118.252 0.1 . 1 . . . . . 26 GLU N . 51230 1 185 . 1 . 1 27 27 ALA H H 1 8.019 0.01 . 1 . . . . . 27 ALA HN . 51230 1 186 . 1 . 1 27 27 ALA HB1 H 1 1.091 0.01 . 1 . . . . . 27 ALA MB . 51230 1 187 . 1 . 1 27 27 ALA HB2 H 1 1.091 0.01 . 1 . . . . . 27 ALA MB . 51230 1 188 . 1 . 1 27 27 ALA HB3 H 1 1.091 0.01 . 1 . . . . . 27 ALA MB . 51230 1 189 . 1 . 1 27 27 ALA C C 13 177.142 0.1 . 1 . . . . . 27 ALA C . 51230 1 190 . 1 . 1 27 27 ALA CA C 13 52.941 0.1 . 1 . . . . . 27 ALA CA . 51230 1 191 . 1 . 1 27 27 ALA CB C 13 18.719 0.1 . 1 . . . . . 27 ALA CB . 51230 1 192 . 1 . 1 27 27 ALA N N 15 123.103 0.1 . 1 . . . . . 27 ALA N . 51230 1 193 . 1 . 1 28 28 GLN H H 1 8.976 0.01 . 1 . . . . . 28 GLN HN . 51230 1 194 . 1 . 1 28 28 GLN HE21 H 1 6.836 0.01 . 2 . . . . . 28 GLN HE21 . 51230 1 195 . 1 . 1 28 28 GLN HE22 H 1 7.555 0.01 . 2 . . . . . 28 GLN HE22 . 51230 1 196 . 1 . 1 28 28 GLN C C 13 174.566 0.1 . 1 . . . . . 28 GLN C . 51230 1 197 . 1 . 1 28 28 GLN CA C 13 54.09 0.1 . 1 . . . . . 28 GLN CA . 51230 1 198 . 1 . 1 28 28 GLN CB C 13 28.277 0.1 . 1 . . . . . 28 GLN CB . 51230 1 199 . 1 . 1 28 28 GLN N N 15 123.231 0.1 . 1 . . . . . 28 GLN N . 51230 1 200 . 1 . 1 28 28 GLN NE2 N 15 111.377 0.1 . 1 . . . . . 28 GLN NE2 . 51230 1 201 . 1 . 1 29 29 ILE H H 1 8.323 0.01 . 1 . . . . . 29 ILE HN . 51230 1 202 . 1 . 1 29 29 ILE HG21 H 1 0.605 0.01 . 1 . . . . . 29 ILE MG . 51230 1 203 . 1 . 1 29 29 ILE HG22 H 1 0.605 0.01 . 1 . . . . . 29 ILE MG . 51230 1 204 . 1 . 1 29 29 ILE HG23 H 1 0.605 0.01 . 1 . . . . . 29 ILE MG . 51230 1 205 . 1 . 1 29 29 ILE HD11 H 1 0.605 0.01 . 1 . . . . . 29 ILE MD . 51230 1 206 . 1 . 1 29 29 ILE HD12 H 1 0.605 0.01 . 1 . . . . . 29 ILE MD . 51230 1 207 . 1 . 1 29 29 ILE HD13 H 1 0.605 0.01 . 1 . . . . . 29 ILE MD . 51230 1 208 . 1 . 1 29 29 ILE C C 13 176.023 0.1 . 1 . . . . . 29 ILE C . 51230 1 209 . 1 . 1 29 29 ILE CA C 13 60.391 0.1 . 1 . . . . . 29 ILE CA . 51230 1 210 . 1 . 1 29 29 ILE CB C 13 38.048 0.1 . 1 . . . . . 29 ILE CB . 51230 1 211 . 1 . 1 29 29 ILE CG1 C 13 27.99 0.1 . 1 . . . . . 29 ILE CG1 . 51230 1 212 . 1 . 1 29 29 ILE CG2 C 13 17.504 0.1 . 1 . . . . . 29 ILE CG2 . 51230 1 213 . 1 . 1 29 29 ILE CD1 C 13 13.516 0.1 . 1 . . . . . 29 ILE CD1 . 51230 1 214 . 1 . 1 29 29 ILE N N 15 125.981 0.1 . 1 . . . . . 29 ILE N . 51230 1 215 . 1 . 1 30 30 ILE H H 1 7.884 0.01 . 1 . . . . . 30 ILE HN . 51230 1 216 . 1 . 1 30 30 ILE HG21 H 1 0.773 0.01 . 1 . . . . . 30 ILE MG . 51230 1 217 . 1 . 1 30 30 ILE HG22 H 1 0.773 0.01 . 1 . . . . . 30 ILE MG . 51230 1 218 . 1 . 1 30 30 ILE HG23 H 1 0.773 0.01 . 1 . . . . . 30 ILE MG . 51230 1 219 . 1 . 1 30 30 ILE HD11 H 1 0.714 0.01 . 1 . . . . . 30 ILE MD . 51230 1 220 . 1 . 1 30 30 ILE HD12 H 1 0.714 0.01 . 1 . . . . . 30 ILE MD . 51230 1 221 . 1 . 1 30 30 ILE HD13 H 1 0.714 0.01 . 1 . . . . . 30 ILE MD . 51230 1 222 . 1 . 1 30 30 ILE C C 13 173.319 0.1 . 1 . . . . . 30 ILE C . 51230 1 223 . 1 . 1 30 30 ILE CA C 13 58.767 0.1 . 1 . . . . . 30 ILE CA . 51230 1 224 . 1 . 1 30 30 ILE CB C 13 40.986 0.1 . 1 . . . . . 30 ILE CB . 51230 1 225 . 1 . 1 30 30 ILE CG1 C 13 26.704 0.1 . 1 . . . . . 30 ILE CG1 . 51230 1 226 . 1 . 1 30 30 ILE CG2 C 13 16.799 0.1 . 1 . . . . . 30 ILE CG2 . 51230 1 227 . 1 . 1 30 30 ILE CD1 C 13 12.432 0.1 . 1 . . . . . 30 ILE CD1 . 51230 1 228 . 1 . 1 30 30 ILE N N 15 129.29 0.1 . 1 . . . . . 30 ILE N . 51230 1 229 . 1 . 1 31 31 VAL H H 1 8.48 0.01 . 1 . . . . . 31 VAL HN . 51230 1 230 . 1 . 1 31 31 VAL HG11 H 1 0.798 0.01 . 1 . . . . . 31 VAL MG1 . 51230 1 231 . 1 . 1 31 31 VAL HG12 H 1 0.798 0.01 . 1 . . . . . 31 VAL MG1 . 51230 1 232 . 1 . 1 31 31 VAL HG13 H 1 0.798 0.01 . 1 . . . . . 31 VAL MG1 . 51230 1 233 . 1 . 1 31 31 VAL C C 13 175.562 0.1 . 1 . . . . . 31 VAL C . 51230 1 234 . 1 . 1 31 31 VAL CA C 13 61.805 0.1 . 1 . . . . . 31 VAL CA . 51230 1 235 . 1 . 1 31 31 VAL CB C 13 32.517 0.1 . 1 . . . . . 31 VAL CB . 51230 1 236 . 1 . 1 31 31 VAL CG1 C 13 21.979 0.1 . 1 . . . . . 31 VAL CG1 . 51230 1 237 . 1 . 1 31 31 VAL CG2 C 13 21.782 0.1 . 1 . . . . . 31 VAL CG2 . 51230 1 238 . 1 . 1 31 31 VAL N N 15 128.277 0.1 . 1 . . . . . 31 VAL N . 51230 1 239 . 1 . 1 32 32 LEU H H 1 9.115 0.01 . 1 . . . . . 32 LEU HN . 51230 1 240 . 1 . 1 32 32 LEU HD11 H 1 0.497 0.01 . 1 . . . . . 32 LEU MD1 . 51230 1 241 . 1 . 1 32 32 LEU HD12 H 1 0.497 0.01 . 1 . . . . . 32 LEU MD1 . 51230 1 242 . 1 . 1 32 32 LEU HD13 H 1 0.497 0.01 . 1 . . . . . 32 LEU MD1 . 51230 1 243 . 1 . 1 32 32 LEU HD21 H 1 0.721 0.01 . 1 . . . . . 32 LEU MD2 . 51230 1 244 . 1 . 1 32 32 LEU HD22 H 1 0.721 0.01 . 1 . . . . . 32 LEU MD2 . 51230 1 245 . 1 . 1 32 32 LEU HD23 H 1 0.721 0.01 . 1 . . . . . 32 LEU MD2 . 51230 1 246 . 1 . 1 32 32 LEU C C 13 173.416 0.1 . 1 . . . . . 32 LEU C . 51230 1 247 . 1 . 1 32 32 LEU CA C 13 51.86 0.1 . 1 . . . . . 32 LEU CA . 51230 1 248 . 1 . 1 32 32 LEU CB C 13 45.277 0.1 . 1 . . . . . 32 LEU CB . 51230 1 249 . 1 . 1 32 32 LEU CD1 C 13 26.319 0.1 . 1 . . . . . 32 LEU CD1 . 51230 1 250 . 1 . 1 32 32 LEU CD2 C 13 23.687 0.1 . 1 . . . . . 32 LEU CD2 . 51230 1 251 . 1 . 1 32 32 LEU N N 15 129.339 0.1 . 1 . . . . . 32 LEU N . 51230 1 252 . 1 . 1 33 33 PRO C C 13 179.304 0.1 . 1 . . . . . 33 PRO C . 51230 1 253 . 1 . 1 33 33 PRO CA C 13 62.611 0.1 . 1 . . . . . 33 PRO CA . 51230 1 254 . 1 . 1 33 33 PRO CB C 13 32.108 0.1 . 1 . . . . . 33 PRO CB . 51230 1 255 . 1 . 1 34 34 VAL H H 1 8.948 0.01 . 1 . . . . . 34 VAL HN . 51230 1 256 . 1 . 1 34 34 VAL HG11 H 1 0.899 0.01 . 1 . . . . . 34 VAL MG1 . 51230 1 257 . 1 . 1 34 34 VAL HG12 H 1 0.899 0.01 . 1 . . . . . 34 VAL MG1 . 51230 1 258 . 1 . 1 34 34 VAL HG13 H 1 0.899 0.01 . 1 . . . . . 34 VAL MG1 . 51230 1 259 . 1 . 1 34 34 VAL HG21 H 1 0.914 0.01 . 1 . . . . . 34 VAL MG2 . 51230 1 260 . 1 . 1 34 34 VAL HG22 H 1 0.914 0.01 . 1 . . . . . 34 VAL MG2 . 51230 1 261 . 1 . 1 34 34 VAL HG23 H 1 0.914 0.01 . 1 . . . . . 34 VAL MG2 . 51230 1 262 . 1 . 1 34 34 VAL C C 13 174.731 0.1 . 1 . . . . . 34 VAL C . 51230 1 263 . 1 . 1 34 34 VAL CA C 13 64.26 0.1 . 1 . . . . . 34 VAL CA . 51230 1 264 . 1 . 1 34 34 VAL CB C 13 32.088 0.1 . 1 . . . . . 34 VAL CB . 51230 1 265 . 1 . 1 34 34 VAL CG1 C 13 19.624 0.1 . 1 . . . . . 34 VAL CG1 . 51230 1 266 . 1 . 1 34 34 VAL CG2 C 13 21.723 0.1 . 1 . . . . . 34 VAL CG2 . 51230 1 267 . 1 . 1 34 34 VAL N N 15 125.591 0.1 . 1 . . . . . 34 VAL N . 51230 1 268 . 1 . 1 35 35 GLY H H 1 8.965 0.01 . 1 . . . . . 35 GLY HN . 51230 1 269 . 1 . 1 35 35 GLY C C 13 174.693 0.1 . 1 . . . . . 35 GLY C . 51230 1 270 . 1 . 1 35 35 GLY CA C 13 44.544 0.1 . 1 . . . . . 35 GLY CA . 51230 1 271 . 1 . 1 35 35 GLY N N 15 115.794 0.1 . 1 . . . . . 35 GLY N . 51230 1 272 . 1 . 1 36 36 THR H H 1 7.612 0.01 . 1 . . . . . 36 THR HN . 51230 1 273 . 1 . 1 36 36 THR HG21 H 1 1.292 0.01 . 1 . . . . . 36 THR MG . 51230 1 274 . 1 . 1 36 36 THR HG22 H 1 1.292 0.01 . 1 . . . . . 36 THR MG . 51230 1 275 . 1 . 1 36 36 THR HG23 H 1 1.292 0.01 . 1 . . . . . 36 THR MG . 51230 1 276 . 1 . 1 36 36 THR C C 13 173.291 0.1 . 1 . . . . . 36 THR C . 51230 1 277 . 1 . 1 36 36 THR CA C 13 64.904 0.1 . 1 . . . . . 36 THR CA . 51230 1 278 . 1 . 1 36 36 THR CB C 13 69.825 0.1 . 1 . . . . . 36 THR CB . 51230 1 279 . 1 . 1 36 36 THR CG2 C 13 21.714 0.1 . 1 . . . . . 36 THR CG2 . 51230 1 280 . 1 . 1 36 36 THR N N 15 117.848 0.1 . 1 . . . . . 36 THR N . 51230 1 281 . 1 . 1 37 37 ILE H H 1 8.583 0.01 . 1 . . . . . 37 ILE HN . 51230 1 282 . 1 . 1 37 37 ILE HG21 H 1 0.857 0.01 . 1 . . . . . 37 ILE MG . 51230 1 283 . 1 . 1 37 37 ILE HG22 H 1 0.857 0.01 . 1 . . . . . 37 ILE MG . 51230 1 284 . 1 . 1 37 37 ILE HG23 H 1 0.857 0.01 . 1 . . . . . 37 ILE MG . 51230 1 285 . 1 . 1 37 37 ILE HD11 H 1 0.838 0.01 . 1 . . . . . 37 ILE MD . 51230 1 286 . 1 . 1 37 37 ILE HD12 H 1 0.838 0.01 . 1 . . . . . 37 ILE MD . 51230 1 287 . 1 . 1 37 37 ILE HD13 H 1 0.838 0.01 . 1 . . . . . 37 ILE MD . 51230 1 288 . 1 . 1 37 37 ILE C C 13 176.165 0.1 . 1 . . . . . 37 ILE C . 51230 1 289 . 1 . 1 37 37 ILE CA C 13 61.567 0.1 . 1 . . . . . 37 ILE CA . 51230 1 290 . 1 . 1 37 37 ILE CB C 13 37.219 0.1 . 1 . . . . . 37 ILE CB . 51230 1 291 . 1 . 1 37 37 ILE CG1 C 13 27.329 0.1 . 1 . . . . . 37 ILE CG1 . 51230 1 292 . 1 . 1 37 37 ILE CG2 C 13 17.259 0.1 . 1 . . . . . 37 ILE CG2 . 51230 1 293 . 1 . 1 37 37 ILE CD1 C 13 12.011 0.1 . 1 . . . . . 37 ILE CD1 . 51230 1 294 . 1 . 1 37 37 ILE N N 15 129.006 0.1 . 1 . . . . . 37 ILE N . 51230 1 295 . 1 . 1 38 38 VAL H H 1 8.073 0.01 . 1 . . . . . 38 VAL HN . 51230 1 296 . 1 . 1 38 38 VAL HG11 H 1 0.917 0.01 . 1 . . . . . 38 VAL MG1 . 51230 1 297 . 1 . 1 38 38 VAL HG12 H 1 0.917 0.01 . 1 . . . . . 38 VAL MG1 . 51230 1 298 . 1 . 1 38 38 VAL HG13 H 1 0.917 0.01 . 1 . . . . . 38 VAL MG1 . 51230 1 299 . 1 . 1 38 38 VAL HG21 H 1 0.9 0.01 . 1 . . . . . 38 VAL MG2 . 51230 1 300 . 1 . 1 38 38 VAL HG22 H 1 0.9 0.01 . 1 . . . . . 38 VAL MG2 . 51230 1 301 . 1 . 1 38 38 VAL HG23 H 1 0.9 0.01 . 1 . . . . . 38 VAL MG2 . 51230 1 302 . 1 . 1 38 38 VAL C C 13 176.344 0.1 . 1 . . . . . 38 VAL C . 51230 1 303 . 1 . 1 38 38 VAL CA C 13 58.953 0.1 . 1 . . . . . 38 VAL CA . 51230 1 304 . 1 . 1 38 38 VAL CB C 13 34.956 0.1 . 1 . . . . . 38 VAL CB . 51230 1 305 . 1 . 1 38 38 VAL CG1 C 13 20.575 0.1 . 1 . . . . . 38 VAL CG1 . 51230 1 306 . 1 . 1 38 38 VAL CG2 C 13 18.31 0.1 . 1 . . . . . 38 VAL CG2 . 51230 1 307 . 1 . 1 38 38 VAL N N 15 120.261 0.1 . 1 . . . . . 38 VAL N . 51230 1 308 . 1 . 1 39 39 THR H H 1 7.972 0.01 . 1 . . . . . 39 THR HN . 51230 1 309 . 1 . 1 39 39 THR HG21 H 1 1.257 0.01 . 1 . . . . . 39 THR MG . 51230 1 310 . 1 . 1 39 39 THR HG22 H 1 1.257 0.01 . 1 . . . . . 39 THR MG . 51230 1 311 . 1 . 1 39 39 THR HG23 H 1 1.257 0.01 . 1 . . . . . 39 THR MG . 51230 1 312 . 1 . 1 39 39 THR C C 13 176.18 0.1 . 1 . . . . . 39 THR C . 51230 1 313 . 1 . 1 39 39 THR CA C 13 61.829 0.1 . 1 . . . . . 39 THR CA . 51230 1 314 . 1 . 1 39 39 THR CG2 C 13 21.974 0.1 . 1 . . . . . 39 THR CG2 . 51230 1 315 . 1 . 1 39 39 THR N N 15 112.034 0.1 . 1 . . . . . 39 THR N . 51230 1 316 . 1 . 1 40 40 MET H H 1 8.527 0.01 . 1 . . . . . 40 MET HN . 51230 1 317 . 1 . 1 40 40 MET C C 13 176.606 0.1 . 1 . . . . . 40 MET C . 51230 1 318 . 1 . 1 40 40 MET CA C 13 55.793 0.1 . 1 . . . . . 40 MET CA . 51230 1 319 . 1 . 1 40 40 MET CB C 13 32.355 0.1 . 1 . . . . . 40 MET CB . 51230 1 320 . 1 . 1 40 40 MET N N 15 117.571 0.1 . 1 . . . . . 40 MET N . 51230 1 321 . 1 . 1 41 41 GLU H H 1 8.566 0.01 . 1 . . . . . 41 GLU HN . 51230 1 322 . 1 . 1 41 41 GLU C C 13 174.215 0.1 . 1 . . . . . 41 GLU C . 51230 1 323 . 1 . 1 41 41 GLU CA C 13 57.113 0.1 . 1 . . . . . 41 GLU CA . 51230 1 324 . 1 . 1 41 41 GLU CB C 13 28.793 0.1 . 1 . . . . . 41 GLU CB . 51230 1 325 . 1 . 1 41 41 GLU N N 15 124.062 0.1 . 1 . . . . . 41 GLU N . 51230 1 326 . 1 . 1 42 42 TYR H H 1 8.646 0.01 . 1 . . . . . 42 TYR HN . 51230 1 327 . 1 . 1 42 42 TYR C C 13 175.718 0.1 . 1 . . . . . 42 TYR C . 51230 1 328 . 1 . 1 42 42 TYR CA C 13 57.658 0.1 . 1 . . . . . 42 TYR CA . 51230 1 329 . 1 . 1 42 42 TYR CB C 13 39.911 0.1 . 1 . . . . . 42 TYR CB . 51230 1 330 . 1 . 1 42 42 TYR N N 15 125.407 0.1 . 1 . . . . . 42 TYR N . 51230 1 331 . 1 . 1 43 43 ARG H H 1 8.827 0.01 . 1 . . . . . 43 ARG HN . 51230 1 332 . 1 . 1 43 43 ARG C C 13 175.303 0.1 . 1 . . . . . 43 ARG C . 51230 1 333 . 1 . 1 43 43 ARG CA C 13 54.167 0.1 . 1 . . . . . 43 ARG CA . 51230 1 334 . 1 . 1 43 43 ARG CB C 13 32.235 0.1 . 1 . . . . . 43 ARG CB . 51230 1 335 . 1 . 1 43 43 ARG N N 15 131.383 0.1 . 1 . . . . . 43 ARG N . 51230 1 336 . 1 . 1 44 44 ILE H H 1 8.044 0.01 . 1 . . . . . 44 ILE HN . 51230 1 337 . 1 . 1 44 44 ILE HG21 H 1 0.904 0.01 . 1 . . . . . 44 ILE MG . 51230 1 338 . 1 . 1 44 44 ILE HG22 H 1 0.904 0.01 . 1 . . . . . 44 ILE MG . 51230 1 339 . 1 . 1 44 44 ILE HG23 H 1 0.904 0.01 . 1 . . . . . 44 ILE MG . 51230 1 340 . 1 . 1 44 44 ILE HD11 H 1 0.952 0.01 . 1 . . . . . 44 ILE MD . 51230 1 341 . 1 . 1 44 44 ILE HD12 H 1 0.952 0.01 . 1 . . . . . 44 ILE MD . 51230 1 342 . 1 . 1 44 44 ILE HD13 H 1 0.952 0.01 . 1 . . . . . 44 ILE MD . 51230 1 343 . 1 . 1 44 44 ILE C C 13 174.177 0.1 . 1 . . . . . 44 ILE C . 51230 1 344 . 1 . 1 44 44 ILE CA C 13 62.867 0.1 . 1 . . . . . 44 ILE CA . 51230 1 345 . 1 . 1 44 44 ILE CB C 13 39.272 0.1 . 1 . . . . . 44 ILE CB . 51230 1 346 . 1 . 1 44 44 ILE CG1 C 13 28.337 0.1 . 1 . . . . . 44 ILE CG1 . 51230 1 347 . 1 . 1 44 44 ILE CG2 C 13 16.67 0.1 . 1 . . . . . 44 ILE CG2 . 51230 1 348 . 1 . 1 44 44 ILE CD1 C 13 14.524 0.1 . 1 . . . . . 44 ILE CD1 . 51230 1 349 . 1 . 1 44 44 ILE N N 15 121.77 0.1 . 1 . . . . . 44 ILE N . 51230 1 350 . 1 . 1 45 45 ASP H H 1 8.334 0.01 . 1 . . . . . 45 ASP HN . 51230 1 351 . 1 . 1 45 45 ASP C C 13 174.029 0.1 . 1 . . . . . 45 ASP C . 51230 1 352 . 1 . 1 45 45 ASP CA C 13 53.217 0.1 . 1 . . . . . 45 ASP CA . 51230 1 353 . 1 . 1 45 45 ASP CB C 13 40.431 0.1 . 1 . . . . . 45 ASP CB . 51230 1 354 . 1 . 1 45 45 ASP N N 15 115.656 0.1 . 1 . . . . . 45 ASP N . 51230 1 355 . 1 . 1 46 46 ARG H H 1 7.266 0.01 . 1 . . . . . 46 ARG HN . 51230 1 356 . 1 . 1 46 46 ARG C C 13 174.42 0.1 . 1 . . . . . 46 ARG C . 51230 1 357 . 1 . 1 46 46 ARG CA C 13 55.38 0.1 . 1 . . . . . 46 ARG CA . 51230 1 358 . 1 . 1 46 46 ARG CB C 13 34.215 0.1 . 1 . . . . . 46 ARG CB . 51230 1 359 . 1 . 1 46 46 ARG N N 15 122.906 0.1 . 1 . . . . . 46 ARG N . 51230 1 360 . 1 . 1 47 47 VAL H H 1 8.077 0.01 . 1 . . . . . 47 VAL HN . 51230 1 361 . 1 . 1 47 47 VAL HG11 H 1 0.506 0.01 . 1 . . . . . 47 VAL MG1 . 51230 1 362 . 1 . 1 47 47 VAL HG12 H 1 0.506 0.01 . 1 . . . . . 47 VAL MG1 . 51230 1 363 . 1 . 1 47 47 VAL HG13 H 1 0.506 0.01 . 1 . . . . . 47 VAL MG1 . 51230 1 364 . 1 . 1 47 47 VAL HG21 H 1 0.652 0.01 . 1 . . . . . 47 VAL MG2 . 51230 1 365 . 1 . 1 47 47 VAL HG22 H 1 0.652 0.01 . 1 . . . . . 47 VAL MG2 . 51230 1 366 . 1 . 1 47 47 VAL HG23 H 1 0.652 0.01 . 1 . . . . . 47 VAL MG2 . 51230 1 367 . 1 . 1 47 47 VAL C C 13 174.943 0.1 . 1 . . . . . 47 VAL C . 51230 1 368 . 1 . 1 47 47 VAL CA C 13 62.144 0.1 . 1 . . . . . 47 VAL CA . 51230 1 369 . 1 . 1 47 47 VAL CB C 13 35.264 0.1 . 1 . . . . . 47 VAL CB . 51230 1 370 . 1 . 1 47 47 VAL CG1 C 13 21.18 0.1 . 1 . . . . . 47 VAL CG1 . 51230 1 371 . 1 . 1 47 47 VAL CG2 C 13 21.732 0.1 . 1 . . . . . 47 VAL CG2 . 51230 1 372 . 1 . 1 47 47 VAL N N 15 122.294 0.1 . 1 . . . . . 47 VAL N . 51230 1 373 . 1 . 1 48 48 ARG H H 1 9.008 0.01 . 1 . . . . . 48 ARG HN . 51230 1 374 . 1 . 1 48 48 ARG C C 13 175.502 0.1 . 1 . . . . . 48 ARG C . 51230 1 375 . 1 . 1 48 48 ARG CA C 13 55.62 0.1 . 1 . . . . . 48 ARG CA . 51230 1 376 . 1 . 1 48 48 ARG CB C 13 30.976 0.1 . 1 . . . . . 48 ARG CB . 51230 1 377 . 1 . 1 48 48 ARG N N 15 125.741 0.1 . 1 . . . . . 48 ARG N . 51230 1 378 . 1 . 1 49 49 LEU H H 1 9.038 0.01 . 1 . . . . . 49 LEU HN . 51230 1 379 . 1 . 1 49 49 LEU HD11 H 1 0.56 0.01 . 1 . . . . . 49 LEU MD1 . 51230 1 380 . 1 . 1 49 49 LEU HD12 H 1 0.56 0.01 . 1 . . . . . 49 LEU MD1 . 51230 1 381 . 1 . 1 49 49 LEU HD13 H 1 0.56 0.01 . 1 . . . . . 49 LEU MD1 . 51230 1 382 . 1 . 1 49 49 LEU HD21 H 1 0.587 0.01 . 1 . . . . . 49 LEU MD2 . 51230 1 383 . 1 . 1 49 49 LEU HD22 H 1 0.587 0.01 . 1 . . . . . 49 LEU MD2 . 51230 1 384 . 1 . 1 49 49 LEU HD23 H 1 0.587 0.01 . 1 . . . . . 49 LEU MD2 . 51230 1 385 . 1 . 1 49 49 LEU C C 13 174.081 0.1 . 1 . . . . . 49 LEU C . 51230 1 386 . 1 . 1 49 49 LEU CA C 13 52.236 0.1 . 1 . . . . . 49 LEU CA . 51230 1 387 . 1 . 1 49 49 LEU CB C 13 42.144 0.1 . 1 . . . . . 49 LEU CB . 51230 1 388 . 1 . 1 49 49 LEU CG C 13 26.385 0.1 . 1 . . . . . 49 LEU CG . 51230 1 389 . 1 . 1 49 49 LEU CD1 C 13 26.696 0.1 . 1 . . . . . 49 LEU CD1 . 51230 1 390 . 1 . 1 49 49 LEU CD2 C 13 23.25 0.1 . 1 . . . . . 49 LEU CD2 . 51230 1 391 . 1 . 1 49 49 LEU N N 15 123.418 0.1 . 1 . . . . . 49 LEU N . 51230 1 392 . 1 . 1 50 50 PHE H H 1 9.065 0.01 . 1 . . . . . 50 PHE HN . 51230 1 393 . 1 . 1 50 50 PHE C C 13 177.312 0.1 . 1 . . . . . 50 PHE C . 51230 1 394 . 1 . 1 50 50 PHE CA C 13 56.401 0.1 . 1 . . . . . 50 PHE CA . 51230 1 395 . 1 . 1 50 50 PHE CB C 13 40.378 0.1 . 1 . . . . . 50 PHE CB . 51230 1 396 . 1 . 1 50 50 PHE N N 15 122.628 0.1 . 1 . . . . . 50 PHE N . 51230 1 397 . 1 . 1 51 51 VAL H H 1 8.722 0.01 . 1 . . . . . 51 VAL HN . 51230 1 398 . 1 . 1 51 51 VAL HG11 H 1 0.684 0.01 . 1 . . . . . 51 VAL MG1 . 51230 1 399 . 1 . 1 51 51 VAL HG12 H 1 0.684 0.01 . 1 . . . . . 51 VAL MG1 . 51230 1 400 . 1 . 1 51 51 VAL HG13 H 1 0.684 0.01 . 1 . . . . . 51 VAL MG1 . 51230 1 401 . 1 . 1 51 51 VAL HG21 H 1 0.686 0.01 . 1 . . . . . 51 VAL MG2 . 51230 1 402 . 1 . 1 51 51 VAL HG22 H 1 0.686 0.01 . 1 . . . . . 51 VAL MG2 . 51230 1 403 . 1 . 1 51 51 VAL HG23 H 1 0.686 0.01 . 1 . . . . . 51 VAL MG2 . 51230 1 404 . 1 . 1 51 51 VAL C C 13 177.026 0.1 . 1 . . . . . 51 VAL C . 51230 1 405 . 1 . 1 51 51 VAL CA C 13 58.655 0.1 . 1 . . . . . 51 VAL CA . 51230 1 406 . 1 . 1 51 51 VAL CB C 13 36.093 0.1 . 1 . . . . . 51 VAL CB . 51230 1 407 . 1 . 1 51 51 VAL CG1 C 13 20.503 0.1 . 1 . . . . . 51 VAL CG1 . 51230 1 408 . 1 . 1 51 51 VAL CG2 C 13 17.943 0.1 . 1 . . . . . 51 VAL CG2 . 51230 1 409 . 1 . 1 51 51 VAL N N 15 114.72 0.1 . 1 . . . . . 51 VAL N . 51230 1 410 . 1 . 1 52 52 ASP H H 1 8.818 0.01 . 1 . . . . . 52 ASP HN . 51230 1 411 . 1 . 1 52 52 ASP C C 13 178.301 0.1 . 1 . . . . . 52 ASP C . 51230 1 412 . 1 . 1 52 52 ASP CA C 13 52.284 0.1 . 1 . . . . . 52 ASP CA . 51230 1 413 . 1 . 1 52 52 ASP CB C 13 41.625 0.1 . 1 . . . . . 52 ASP CB . 51230 1 414 . 1 . 1 52 52 ASP N N 15 123.561 0.1 . 1 . . . . . 52 ASP N . 51230 1 415 . 1 . 1 53 53 LYS H H 1 8.22 0.01 . 1 . . . . . 53 LYS HN . 51230 1 416 . 1 . 1 53 53 LYS C C 13 176.979 0.1 . 1 . . . . . 53 LYS C . 51230 1 417 . 1 . 1 53 53 LYS CA C 13 58.315 0.1 . 1 . . . . . 53 LYS CA . 51230 1 418 . 1 . 1 53 53 LYS CB C 13 31.886 0.1 . 1 . . . . . 53 LYS CB . 51230 1 419 . 1 . 1 53 53 LYS N N 15 115.922 0.1 . 1 . . . . . 53 LYS N . 51230 1 420 . 1 . 1 54 54 LEU H H 1 8.067 0.01 . 1 . . . . . 54 LEU HN . 51230 1 421 . 1 . 1 54 54 LEU HD11 H 1 0.851 0.01 . 1 . . . . . 54 LEU MD1 . 51230 1 422 . 1 . 1 54 54 LEU HD12 H 1 0.851 0.01 . 1 . . . . . 54 LEU MD1 . 51230 1 423 . 1 . 1 54 54 LEU HD13 H 1 0.851 0.01 . 1 . . . . . 54 LEU MD1 . 51230 1 424 . 1 . 1 54 54 LEU HD21 H 1 0.796 0.01 . 1 . . . . . 54 LEU MD2 . 51230 1 425 . 1 . 1 54 54 LEU HD22 H 1 0.796 0.01 . 1 . . . . . 54 LEU MD2 . 51230 1 426 . 1 . 1 54 54 LEU HD23 H 1 0.796 0.01 . 1 . . . . . 54 LEU MD2 . 51230 1 427 . 1 . 1 54 54 LEU C C 13 176.166 0.1 . 1 . . . . . 54 LEU C . 51230 1 428 . 1 . 1 54 54 LEU CA C 13 54.318 0.1 . 1 . . . . . 54 LEU CA . 51230 1 429 . 1 . 1 54 54 LEU CB C 13 41.278 0.1 . 1 . . . . . 54 LEU CB . 51230 1 430 . 1 . 1 54 54 LEU CG C 13 27.15 0.1 . 1 . . . . . 54 LEU CG . 51230 1 431 . 1 . 1 54 54 LEU CD1 C 13 24.017 0.1 . 1 . . . . . 54 LEU CD1 . 51230 1 432 . 1 . 1 54 54 LEU CD2 C 13 23.014 0.1 . 1 . . . . . 54 LEU CD2 . 51230 1 433 . 1 . 1 54 54 LEU N N 15 121.277 0.1 . 1 . . . . . 54 LEU N . 51230 1 434 . 1 . 1 55 55 ASP H H 1 8.192 0.01 . 1 . . . . . 55 ASP HN . 51230 1 435 . 1 . 1 55 55 ASP C C 13 173.358 0.1 . 1 . . . . . 55 ASP C . 51230 1 436 . 1 . 1 55 55 ASP CA C 13 55.445 0.1 . 1 . . . . . 55 ASP CA . 51230 1 437 . 1 . 1 55 55 ASP CB C 13 38.163 0.1 . 1 . . . . . 55 ASP CB . 51230 1 438 . 1 . 1 55 55 ASP N N 15 114.711 0.1 . 1 . . . . . 55 ASP N . 51230 1 439 . 1 . 1 56 56 ASN H H 1 8.18 0.01 . 1 . . . . . 56 ASN HN . 51230 1 440 . 1 . 1 56 56 ASN HD21 H 1 6.715 0.01 . 2 . . . . . 56 ASN HD21 . 51230 1 441 . 1 . 1 56 56 ASN HD22 H 1 7.348 0.01 . 2 . . . . . 56 ASN HD22 . 51230 1 442 . 1 . 1 56 56 ASN C C 13 176.347 0.1 . 1 . . . . . 56 ASN C . 51230 1 443 . 1 . 1 56 56 ASN CA C 13 51.242 0.1 . 1 . . . . . 56 ASN CA . 51230 1 444 . 1 . 1 56 56 ASN CB C 13 39.705 0.1 . 1 . . . . . 56 ASN CB . 51230 1 445 . 1 . 1 56 56 ASN N N 15 114.461 0.1 . 1 . . . . . 56 ASN N . 51230 1 446 . 1 . 1 56 56 ASN ND2 N 15 112.543 0.1 . 1 . . . . . 56 ASN ND2 . 51230 1 447 . 1 . 1 57 57 ILE H H 1 9.13 0.01 . 1 . . . . . 57 ILE HN . 51230 1 448 . 1 . 1 57 57 ILE HG21 H 1 1.02 0.01 . 1 . . . . . 57 ILE MG . 51230 1 449 . 1 . 1 57 57 ILE HG22 H 1 1.02 0.01 . 1 . . . . . 57 ILE MG . 51230 1 450 . 1 . 1 57 57 ILE HG23 H 1 1.02 0.01 . 1 . . . . . 57 ILE MG . 51230 1 451 . 1 . 1 57 57 ILE HD11 H 1 0.67 0.01 . 1 . . . . . 57 ILE MD . 51230 1 452 . 1 . 1 57 57 ILE HD12 H 1 0.67 0.01 . 1 . . . . . 57 ILE MD . 51230 1 453 . 1 . 1 57 57 ILE HD13 H 1 0.67 0.01 . 1 . . . . . 57 ILE MD . 51230 1 454 . 1 . 1 57 57 ILE C C 13 178.683 0.1 . 1 . . . . . 57 ILE C . 51230 1 455 . 1 . 1 57 57 ILE CA C 13 60.719 0.1 . 1 . . . . . 57 ILE CA . 51230 1 456 . 1 . 1 57 57 ILE CB C 13 34.618 0.1 . 1 . . . . . 57 ILE CB . 51230 1 457 . 1 . 1 57 57 ILE CG1 C 13 27.316 0.1 . 1 . . . . . 57 ILE CG1 . 51230 1 458 . 1 . 1 57 57 ILE CG2 C 13 20.17 0.1 . 1 . . . . . 57 ILE CG2 . 51230 1 459 . 1 . 1 57 57 ILE CD1 C 13 11.928 0.1 . 1 . . . . . 57 ILE CD1 . 51230 1 460 . 1 . 1 57 57 ILE N N 15 119.702 0.1 . 1 . . . . . 57 ILE N . 51230 1 461 . 1 . 1 58 58 ALA H H 1 9.56 0.01 . 1 . . . . . 58 ALA HN . 51230 1 462 . 1 . 1 58 58 ALA HB1 H 1 1.384 0.01 . 1 . . . . . 58 ALA MB . 51230 1 463 . 1 . 1 58 58 ALA HB2 H 1 1.384 0.01 . 1 . . . . . 58 ALA MB . 51230 1 464 . 1 . 1 58 58 ALA HB3 H 1 1.384 0.01 . 1 . . . . . 58 ALA MB . 51230 1 465 . 1 . 1 58 58 ALA C C 13 176.288 0.1 . 1 . . . . . 58 ALA C . 51230 1 466 . 1 . 1 58 58 ALA CA C 13 52.584 0.1 . 1 . . . . . 58 ALA CA . 51230 1 467 . 1 . 1 58 58 ALA CB C 13 21.707 0.1 . 1 . . . . . 58 ALA CB . 51230 1 468 . 1 . 1 58 58 ALA N N 15 131.864 0.1 . 1 . . . . . 58 ALA N . 51230 1 469 . 1 . 1 59 59 GLN H H 1 7.288 0.01 . 1 . . . . . 59 GLN HN . 51230 1 470 . 1 . 1 59 59 GLN C C 13 175.347 0.1 . 1 . . . . . 59 GLN C . 51230 1 471 . 1 . 1 59 59 GLN CA C 13 53.556 0.1 . 1 . . . . . 59 GLN CA . 51230 1 472 . 1 . 1 59 59 GLN CB C 13 33.241 0.1 . 1 . . . . . 59 GLN CB . 51230 1 473 . 1 . 1 59 59 GLN N N 15 114.175 0.1 . 1 . . . . . 59 GLN N . 51230 1 474 . 1 . 1 60 60 VAL H H 1 8.927 0.01 . 1 . . . . . 60 VAL HN . 51230 1 475 . 1 . 1 60 60 VAL HG11 H 1 0.819 0.01 . 1 . . . . . 60 VAL MG1 . 51230 1 476 . 1 . 1 60 60 VAL HG12 H 1 0.819 0.01 . 1 . . . . . 60 VAL MG1 . 51230 1 477 . 1 . 1 60 60 VAL HG13 H 1 0.819 0.01 . 1 . . . . . 60 VAL MG1 . 51230 1 478 . 1 . 1 60 60 VAL HG21 H 1 1.129 0.01 . 1 . . . . . 60 VAL MG2 . 51230 1 479 . 1 . 1 60 60 VAL HG22 H 1 1.129 0.01 . 1 . . . . . 60 VAL MG2 . 51230 1 480 . 1 . 1 60 60 VAL HG23 H 1 1.129 0.01 . 1 . . . . . 60 VAL MG2 . 51230 1 481 . 1 . 1 60 60 VAL C C 13 174.663 0.1 . 1 . . . . . 60 VAL C . 51230 1 482 . 1 . 1 60 60 VAL CA C 13 62.678 0.1 . 1 . . . . . 60 VAL CA . 51230 1 483 . 1 . 1 60 60 VAL CB C 13 40.5 0.1 . 1 . . . . . 60 VAL CB . 51230 1 484 . 1 . 1 60 60 VAL CG1 C 13 20.003 0.1 . 1 . . . . . 60 VAL CG1 . 51230 1 485 . 1 . 1 60 60 VAL CG2 C 13 22.173 0.1 . 1 . . . . . 60 VAL CG2 . 51230 1 486 . 1 . 1 60 60 VAL N N 15 125.632 0.1 . 1 . . . . . 60 VAL N . 51230 1 487 . 1 . 1 61 61 PRO C C 13 175.044 0.1 . 1 . . . . . 61 PRO C . 51230 1 488 . 1 . 1 61 61 PRO CA C 13 62.917 0.1 . 1 . . . . . 61 PRO CA . 51230 1 489 . 1 . 1 61 61 PRO CB C 13 32.499 0.1 . 1 . . . . . 61 PRO CB . 51230 1 490 . 1 . 1 62 62 ARG H H 1 9.327 0.01 . 1 . . . . . 62 ARG HN . 51230 1 491 . 1 . 1 62 62 ARG C C 13 175.465 0.1 . 1 . . . . . 62 ARG C . 51230 1 492 . 1 . 1 62 62 ARG CA C 13 54.786 0.1 . 1 . . . . . 62 ARG CA . 51230 1 493 . 1 . 1 62 62 ARG CB C 13 34.679 0.1 . 1 . . . . . 62 ARG CB . 51230 1 494 . 1 . 1 62 62 ARG N N 15 123.068 0.1 . 1 . . . . . 62 ARG N . 51230 1 495 . 1 . 1 63 63 VAL H H 1 8.52 0.01 . 1 . . . . . 63 VAL HN . 51230 1 496 . 1 . 1 63 63 VAL HG11 H 1 1.111 0.01 . 1 . . . . . 63 VAL MG1 . 51230 1 497 . 1 . 1 63 63 VAL HG12 H 1 1.111 0.01 . 1 . . . . . 63 VAL MG1 . 51230 1 498 . 1 . 1 63 63 VAL HG13 H 1 1.111 0.01 . 1 . . . . . 63 VAL MG1 . 51230 1 499 . 1 . 1 63 63 VAL HG21 H 1 1.266 0.01 . 1 . . . . . 63 VAL MG2 . 51230 1 500 . 1 . 1 63 63 VAL HG22 H 1 1.266 0.01 . 1 . . . . . 63 VAL MG2 . 51230 1 501 . 1 . 1 63 63 VAL HG23 H 1 1.266 0.01 . 1 . . . . . 63 VAL MG2 . 51230 1 502 . 1 . 1 63 63 VAL C C 13 176.235 0.1 . 1 . . . . . 63 VAL C . 51230 1 503 . 1 . 1 63 63 VAL CA C 13 62.971 0.1 . 1 . . . . . 63 VAL CA . 51230 1 504 . 1 . 1 63 63 VAL CB C 13 32.908 0.1 . 1 . . . . . 63 VAL CB . 51230 1 505 . 1 . 1 63 63 VAL CG1 C 13 22.332 0.1 . 1 . . . . . 63 VAL CG1 . 51230 1 506 . 1 . 1 63 63 VAL CG2 C 13 23.08 0.1 . 1 . . . . . 63 VAL CG2 . 51230 1 507 . 1 . 1 63 63 VAL N N 15 122.241 0.1 . 1 . . . . . 63 VAL N . 51230 1 508 . 1 . 1 64 64 GLY H H 1 8.758 0.01 . 1 . . . . . 64 GLY HN . 51230 1 509 . 1 . 1 64 64 GLY C C 13 180.643 0.1 . 1 . . . . . 64 GLY C . 51230 1 510 . 1 . 1 64 64 GLY CA C 13 47.294 0.1 . 1 . . . . . 64 GLY CA . 51230 1 511 . 1 . 1 64 64 GLY N N 15 122.035 0.1 . 1 . . . . . 64 GLY N . 51230 1 stop_ save_