################################### # 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 52725 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'The methyl assignment of ADP-bound state of E coli Hsp90 N domain' _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-13C HMQC' . . . 52725 1 2 '3D 1H-13C NOESY' . . . 52725 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52725 1 2 $software_2 . . 52725 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 HE1 H 1 1.3669 0.0000 . 1 . . . . . 1 MET HE1 . 52725 1 2 . 1 . 1 1 1 MET HE2 H 1 1.3669 0.0000 . 1 . . . . . 1 MET HE1 . 52725 1 3 . 1 . 1 1 1 MET HE3 H 1 1.3669 0.0000 . 1 . . . . . 1 MET HE1 . 52725 1 4 . 1 . 1 1 1 MET CE C 13 16.6727 0.0000 . 1 . . . . . 1 MET CE . 52725 1 5 . 1 . 1 6 6 THR HG21 H 1 1.1687 0.0000 . 1 . . . . . 6 THR HG21 . 52725 1 6 . 1 . 1 6 6 THR HG22 H 1 1.1687 0.0000 . 1 . . . . . 6 THR HG21 . 52725 1 7 . 1 . 1 6 6 THR HG23 H 1 1.1687 0.0000 . 1 . . . . . 6 THR HG21 . 52725 1 8 . 1 . 1 6 6 THR CG2 C 13 21.4655 0.0000 . 1 . . . . . 6 THR CG2 . 52725 1 9 . 1 . 1 13 13 VAL HG11 H 1 0.9863 0.0000 . 1 . . . . . 13 VAL HG11 . 52725 1 10 . 1 . 1 13 13 VAL HG12 H 1 0.9863 0.0000 . 1 . . . . . 13 VAL HG11 . 52725 1 11 . 1 . 1 13 13 VAL HG13 H 1 0.9863 0.0000 . 1 . . . . . 13 VAL HG11 . 52725 1 12 . 1 . 1 13 13 VAL HG21 H 1 0.2256 0.0000 . 1 . . . . . 13 VAL HG21 . 52725 1 13 . 1 . 1 13 13 VAL HG22 H 1 0.2256 0.0000 . 1 . . . . . 13 VAL HG21 . 52725 1 14 . 1 . 1 13 13 VAL HG23 H 1 0.2256 0.0000 . 1 . . . . . 13 VAL HG21 . 52725 1 15 . 1 . 1 13 13 VAL CG1 C 13 23.0877 0.0000 . 1 . . . . . 13 VAL CG1 . 52725 1 16 . 1 . 1 13 13 VAL CG2 C 13 20.7036 0.0000 . 1 . . . . . 13 VAL CG2 . 52725 1 17 . 1 . 1 16 16 LEU HD11 H 1 0.4727 0.0000 . 1 . . . . . 16 LEU HD11 . 52725 1 18 . 1 . 1 16 16 LEU HD12 H 1 0.4727 0.0000 . 1 . . . . . 16 LEU HD11 . 52725 1 19 . 1 . 1 16 16 LEU HD13 H 1 0.4727 0.0000 . 1 . . . . . 16 LEU HD11 . 52725 1 20 . 1 . 1 16 16 LEU HD21 H 1 0.2709 0.0000 . 1 . . . . . 16 LEU HD21 . 52725 1 21 . 1 . 1 16 16 LEU HD22 H 1 0.2709 0.0000 . 1 . . . . . 16 LEU HD21 . 52725 1 22 . 1 . 1 16 16 LEU HD23 H 1 0.2709 0.0000 . 1 . . . . . 16 LEU HD21 . 52725 1 23 . 1 . 1 16 16 LEU CD1 C 13 24.0367 0.0000 . 1 . . . . . 16 LEU CD1 . 52725 1 24 . 1 . 1 16 16 LEU CD2 C 13 24.7093 0.0000 . 1 . . . . . 16 LEU CD2 . 52725 1 25 . 1 . 1 17 17 LEU HD11 H 1 0.9187 0.0000 . 1 . . . . . 17 LEU HD11 . 52725 1 26 . 1 . 1 17 17 LEU HD12 H 1 0.9187 0.0000 . 1 . . . . . 17 LEU HD11 . 52725 1 27 . 1 . 1 17 17 LEU HD13 H 1 0.9187 0.0000 . 1 . . . . . 17 LEU HD11 . 52725 1 28 . 1 . 1 17 17 LEU HD21 H 1 0.8997 0.0000 . 1 . . . . . 17 LEU HD21 . 52725 1 29 . 1 . 1 17 17 LEU HD22 H 1 0.8997 0.0000 . 1 . . . . . 17 LEU HD21 . 52725 1 30 . 1 . 1 17 17 LEU HD23 H 1 0.8997 0.0000 . 1 . . . . . 17 LEU HD21 . 52725 1 31 . 1 . 1 17 17 LEU CD1 C 13 24.3723 0.0000 . 1 . . . . . 17 LEU CD1 . 52725 1 32 . 1 . 1 17 17 LEU CD2 C 13 24.7253 0.0000 . 1 . . . . . 17 LEU CD2 . 52725 1 33 . 1 . 1 19 19 LEU HD11 H 1 0.8939 0.0000 . 1 . . . . . 19 LEU HD11 . 52725 1 34 . 1 . 1 19 19 LEU HD12 H 1 0.8939 0.0000 . 1 . . . . . 19 LEU HD11 . 52725 1 35 . 1 . 1 19 19 LEU HD13 H 1 0.8939 0.0000 . 1 . . . . . 19 LEU HD11 . 52725 1 36 . 1 . 1 19 19 LEU HD21 H 1 0.6972 0.0000 . 1 . . . . . 19 LEU HD21 . 52725 1 37 . 1 . 1 19 19 LEU HD22 H 1 0.6972 0.0000 . 1 . . . . . 19 LEU HD21 . 52725 1 38 . 1 . 1 19 19 LEU HD23 H 1 0.6972 0.0000 . 1 . . . . . 19 LEU HD21 . 52725 1 39 . 1 . 1 19 19 LEU CD1 C 13 24.3546 0.0000 . 1 . . . . . 19 LEU CD1 . 52725 1 40 . 1 . 1 19 19 LEU CD2 C 13 21.1963 0.0000 . 1 . . . . . 19 LEU CD2 . 52725 1 41 . 1 . 1 20 20 MET HE1 H 1 1.9545 0.0000 . 1 . . . . . 20 MET HE1 . 52725 1 42 . 1 . 1 20 20 MET HE2 H 1 1.9545 0.0000 . 1 . . . . . 20 MET HE1 . 52725 1 43 . 1 . 1 20 20 MET HE3 H 1 1.9545 0.0000 . 1 . . . . . 20 MET HE1 . 52725 1 44 . 1 . 1 20 20 MET CE C 13 17.4966 0.0000 . 1 . . . . . 20 MET CE . 52725 1 45 . 1 . 1 21 21 ILE HD11 H 1 0.7728 0.0000 . 1 . . . . . 21 ILE HD11 . 52725 1 46 . 1 . 1 21 21 ILE HD12 H 1 0.7728 0.0000 . 1 . . . . . 21 ILE HD11 . 52725 1 47 . 1 . 1 21 21 ILE HD13 H 1 0.7728 0.0000 . 1 . . . . . 21 ILE HD11 . 52725 1 48 . 1 . 1 21 21 ILE CD1 C 13 13.7376 0.0000 . 1 . . . . . 21 ILE CD1 . 52725 1 49 . 1 . 1 24 24 LEU HD11 H 1 0.9024 0.0000 . 1 . . . . . 24 LEU HD11 . 52725 1 50 . 1 . 1 24 24 LEU HD12 H 1 0.9024 0.0000 . 1 . . . . . 24 LEU HD11 . 52725 1 51 . 1 . 1 24 24 LEU HD13 H 1 0.9024 0.0000 . 1 . . . . . 24 LEU HD11 . 52725 1 52 . 1 . 1 24 24 LEU HD21 H 1 0.9028 0.0000 . 1 . . . . . 24 LEU HD21 . 52725 1 53 . 1 . 1 24 24 LEU HD22 H 1 0.9028 0.0000 . 1 . . . . . 24 LEU HD21 . 52725 1 54 . 1 . 1 24 24 LEU HD23 H 1 0.9028 0.0000 . 1 . . . . . 24 LEU HD21 . 52725 1 55 . 1 . 1 24 24 LEU CD1 C 13 25.9708 0.0000 . 1 . . . . . 24 LEU CD1 . 52725 1 56 . 1 . 1 24 24 LEU CD2 C 13 23.1935 0.0000 . 1 . . . . . 24 LEU CD2 . 52725 1 57 . 1 . 1 30 30 ILE HD11 H 1 0.8439 0.0000 . 1 . . . . . 30 ILE HD11 . 52725 1 58 . 1 . 1 30 30 ILE HD12 H 1 0.8439 0.0000 . 1 . . . . . 30 ILE HD11 . 52725 1 59 . 1 . 1 30 30 ILE HD13 H 1 0.8439 0.0000 . 1 . . . . . 30 ILE HD11 . 52725 1 60 . 1 . 1 30 30 ILE CD1 C 13 15.4231 0.0000 . 1 . . . . . 30 ILE CD1 . 52725 1 61 . 1 . 1 32 32 LEU HD11 H 1 0.5782 0.0000 . 1 . . . . . 32 LEU HD11 . 52725 1 62 . 1 . 1 32 32 LEU HD12 H 1 0.5782 0.0000 . 1 . . . . . 32 LEU HD11 . 52725 1 63 . 1 . 1 32 32 LEU HD13 H 1 0.5782 0.0000 . 1 . . . . . 32 LEU HD11 . 52725 1 64 . 1 . 1 32 32 LEU HD21 H 1 0.7879 0.0000 . 1 . . . . . 32 LEU HD21 . 52725 1 65 . 1 . 1 32 32 LEU HD22 H 1 0.7879 0.0000 . 1 . . . . . 32 LEU HD21 . 52725 1 66 . 1 . 1 32 32 LEU HD23 H 1 0.7879 0.0000 . 1 . . . . . 32 LEU HD21 . 52725 1 67 . 1 . 1 32 32 LEU CD1 C 13 24.0823 0.0000 . 1 . . . . . 32 LEU CD1 . 52725 1 68 . 1 . 1 32 32 LEU CD2 C 13 25.9088 0.0000 . 1 . . . . . 32 LEU CD2 . 52725 1 69 . 1 . 1 35 35 LEU HD11 H 1 0.8857 0.0000 . 1 . . . . . 35 LEU HD11 . 52725 1 70 . 1 . 1 35 35 LEU HD12 H 1 0.8857 0.0000 . 1 . . . . . 35 LEU HD11 . 52725 1 71 . 1 . 1 35 35 LEU HD13 H 1 0.8857 0.0000 . 1 . . . . . 35 LEU HD11 . 52725 1 72 . 1 . 1 35 35 LEU HD21 H 1 0.8076 0.0000 . 1 . . . . . 35 LEU HD21 . 52725 1 73 . 1 . 1 35 35 LEU HD22 H 1 0.8076 0.0000 . 1 . . . . . 35 LEU HD21 . 52725 1 74 . 1 . 1 35 35 LEU HD23 H 1 0.8076 0.0000 . 1 . . . . . 35 LEU HD21 . 52725 1 75 . 1 . 1 35 35 LEU CD1 C 13 26.5021 0.0000 . 1 . . . . . 35 LEU CD1 . 52725 1 76 . 1 . 1 35 35 LEU CD2 C 13 23.7541 0.0000 . 1 . . . . . 35 LEU CD2 . 52725 1 77 . 1 . 1 36 36 ILE HD11 H 1 0.6894 0.0000 . 1 . . . . . 36 ILE HD11 . 52725 1 78 . 1 . 1 36 36 ILE HD12 H 1 0.6894 0.0000 . 1 . . . . . 36 ILE HD11 . 52725 1 79 . 1 . 1 36 36 ILE HD13 H 1 0.6894 0.0000 . 1 . . . . . 36 ILE HD11 . 52725 1 80 . 1 . 1 36 36 ILE CD1 C 13 12.4191 0.0000 . 1 . . . . . 36 ILE CD1 . 52725 1 81 . 1 . 1 39 39 ALA HB1 H 1 1.4828 0.0000 . 1 . . . . . 39 ALA HB1 . 52725 1 82 . 1 . 1 39 39 ALA HB2 H 1 1.4828 0.0000 . 1 . . . . . 39 ALA HB1 . 52725 1 83 . 1 . 1 39 39 ALA HB3 H 1 1.4828 0.0000 . 1 . . . . . 39 ALA HB1 . 52725 1 84 . 1 . 1 39 39 ALA CB C 13 18.9069 0.0000 . 1 . . . . . 39 ALA CB . 52725 1 85 . 1 . 1 42 42 ALA HB1 H 1 1.4654 0.0000 . 1 . . . . . 42 ALA HB1 . 52725 1 86 . 1 . 1 42 42 ALA HB2 H 1 1.4654 0.0000 . 1 . . . . . 42 ALA HB1 . 52725 1 87 . 1 . 1 42 42 ALA HB3 H 1 1.4654 0.0000 . 1 . . . . . 42 ALA HB1 . 52725 1 88 . 1 . 1 42 42 ALA CB C 13 19.6669 0.0000 . 1 . . . . . 42 ALA CB . 52725 1 89 . 1 . 1 43 43 ALA HB1 H 1 1.6113 0.0000 . 1 . . . . . 43 ALA HB1 . 52725 1 90 . 1 . 1 43 43 ALA HB2 H 1 1.6113 0.0000 . 1 . . . . . 43 ALA HB1 . 52725 1 91 . 1 . 1 43 43 ALA HB3 H 1 1.6113 0.0000 . 1 . . . . . 43 ALA HB1 . 52725 1 92 . 1 . 1 43 43 ALA CB C 13 19.1110 0.0000 . 1 . . . . . 43 ALA CB . 52725 1 93 . 1 . 1 46 46 LEU HD11 H 1 0.9529 0.0000 . 1 . . . . . 46 LEU HD11 . 52725 1 94 . 1 . 1 46 46 LEU HD12 H 1 0.9529 0.0000 . 1 . . . . . 46 LEU HD11 . 52725 1 95 . 1 . 1 46 46 LEU HD13 H 1 0.9529 0.0000 . 1 . . . . . 46 LEU HD11 . 52725 1 96 . 1 . 1 46 46 LEU HD21 H 1 0.5692 0.0000 . 1 . . . . . 46 LEU HD21 . 52725 1 97 . 1 . 1 46 46 LEU HD22 H 1 0.5692 0.0000 . 1 . . . . . 46 LEU HD21 . 52725 1 98 . 1 . 1 46 46 LEU HD23 H 1 0.5692 0.0000 . 1 . . . . . 46 LEU HD21 . 52725 1 99 . 1 . 1 46 46 LEU CD1 C 13 28.0119 0.0000 . 1 . . . . . 46 LEU CD1 . 52725 1 100 . 1 . 1 46 46 LEU CD2 C 13 23.5214 0.0000 . 1 . . . . . 46 LEU CD2 . 52725 1 101 . 1 . 1 50 50 ALA HB1 H 1 0.8206 0.0000 . 1 . . . . . 50 ALA HB1 . 52725 1 102 . 1 . 1 50 50 ALA HB2 H 1 0.8206 0.0000 . 1 . . . . . 50 ALA HB1 . 52725 1 103 . 1 . 1 50 50 ALA HB3 H 1 0.8206 0.0000 . 1 . . . . . 50 ALA HB1 . 52725 1 104 . 1 . 1 50 50 ALA CB C 13 18.3401 0.0000 . 1 . . . . . 50 ALA CB . 52725 1 105 . 1 . 1 51 51 LEU HD11 H 1 0.8648 0.0000 . 1 . . . . . 51 LEU HD11 . 52725 1 106 . 1 . 1 51 51 LEU HD12 H 1 0.8648 0.0000 . 1 . . . . . 51 LEU HD11 . 52725 1 107 . 1 . 1 51 51 LEU HD13 H 1 0.8648 0.0000 . 1 . . . . . 51 LEU HD11 . 52725 1 108 . 1 . 1 51 51 LEU HD21 H 1 0.8945 0.0000 . 1 . . . . . 51 LEU HD21 . 52725 1 109 . 1 . 1 51 51 LEU HD22 H 1 0.8945 0.0000 . 1 . . . . . 51 LEU HD21 . 52725 1 110 . 1 . 1 51 51 LEU HD23 H 1 0.8945 0.0000 . 1 . . . . . 51 LEU HD21 . 52725 1 111 . 1 . 1 51 51 LEU CD1 C 13 22.7106 0.0000 . 1 . . . . . 51 LEU CD1 . 52725 1 112 . 1 . 1 51 51 LEU CD2 C 13 25.1295 0.0000 . 1 . . . . . 51 LEU CD2 . 52725 1 113 . 1 . 1 56 56 LEU HD11 H 1 0.6743 0.0000 . 1 . . . . . 56 LEU HD11 . 52725 1 114 . 1 . 1 56 56 LEU HD12 H 1 0.6743 0.0000 . 1 . . . . . 56 LEU HD11 . 52725 1 115 . 1 . 1 56 56 LEU HD13 H 1 0.6743 0.0000 . 1 . . . . . 56 LEU HD11 . 52725 1 116 . 1 . 1 56 56 LEU HD21 H 1 0.6318 0.0000 . 1 . . . . . 56 LEU HD21 . 52725 1 117 . 1 . 1 56 56 LEU HD22 H 1 0.6318 0.0000 . 1 . . . . . 56 LEU HD21 . 52725 1 118 . 1 . 1 56 56 LEU HD23 H 1 0.6318 0.0000 . 1 . . . . . 56 LEU HD21 . 52725 1 119 . 1 . 1 56 56 LEU CD1 C 13 25.8755 0.0000 . 1 . . . . . 56 LEU CD1 . 52725 1 120 . 1 . 1 56 56 LEU CD2 C 13 21.5392 0.0000 . 1 . . . . . 56 LEU CD2 . 52725 1 121 . 1 . 1 63 63 LEU HD11 H 1 1.0554 0.0000 . 1 . . . . . 63 LEU HD11 . 52725 1 122 . 1 . 1 63 63 LEU HD12 H 1 1.0554 0.0000 . 1 . . . . . 63 LEU HD11 . 52725 1 123 . 1 . 1 63 63 LEU HD13 H 1 1.0554 0.0000 . 1 . . . . . 63 LEU HD11 . 52725 1 124 . 1 . 1 63 63 LEU HD21 H 1 0.7454 0.0000 . 1 . . . . . 63 LEU HD21 . 52725 1 125 . 1 . 1 63 63 LEU HD22 H 1 0.7454 0.0000 . 1 . . . . . 63 LEU HD21 . 52725 1 126 . 1 . 1 63 63 LEU HD23 H 1 0.7454 0.0000 . 1 . . . . . 63 LEU HD21 . 52725 1 127 . 1 . 1 63 63 LEU CD1 C 13 27.2839 0.0000 . 1 . . . . . 63 LEU CD1 . 52725 1 128 . 1 . 1 63 63 LEU CD2 C 13 22.1429 0.0000 . 1 . . . . . 63 LEU CD2 . 52725 1 129 . 1 . 1 65 65 VAL HG11 H 1 0.9073 0.0000 . 1 . . . . . 65 VAL HG11 . 52725 1 130 . 1 . 1 65 65 VAL HG12 H 1 0.9073 0.0000 . 1 . . . . . 65 VAL HG11 . 52725 1 131 . 1 . 1 65 65 VAL HG13 H 1 0.9073 0.0000 . 1 . . . . . 65 VAL HG11 . 52725 1 132 . 1 . 1 65 65 VAL HG21 H 1 0.8103 0.0000 . 1 . . . . . 65 VAL HG21 . 52725 1 133 . 1 . 1 65 65 VAL HG22 H 1 0.8103 0.0000 . 1 . . . . . 65 VAL HG21 . 52725 1 134 . 1 . 1 65 65 VAL HG23 H 1 0.8103 0.0000 . 1 . . . . . 65 VAL HG21 . 52725 1 135 . 1 . 1 65 65 VAL CG1 C 13 21.7595 0.0000 . 1 . . . . . 65 VAL CG1 . 52725 1 136 . 1 . 1 65 65 VAL CG2 C 13 23.3158 0.0000 . 1 . . . . . 65 VAL CG2 . 52725 1 137 . 1 . 1 67 67 VAL HG11 H 1 1.0484 0.0000 . 1 . . . . . 67 VAL HG11 . 52725 1 138 . 1 . 1 67 67 VAL HG12 H 1 1.0484 0.0000 . 1 . . . . . 67 VAL HG11 . 52725 1 139 . 1 . 1 67 67 VAL HG13 H 1 1.0484 0.0000 . 1 . . . . . 67 VAL HG11 . 52725 1 140 . 1 . 1 67 67 VAL HG21 H 1 0.6875 0.0000 . 1 . . . . . 67 VAL HG21 . 52725 1 141 . 1 . 1 67 67 VAL HG22 H 1 0.6875 0.0000 . 1 . . . . . 67 VAL HG21 . 52725 1 142 . 1 . 1 67 67 VAL HG23 H 1 0.6875 0.0000 . 1 . . . . . 67 VAL HG21 . 52725 1 143 . 1 . 1 67 67 VAL CG1 C 13 21.5821 0.0000 . 1 . . . . . 67 VAL CG1 . 52725 1 144 . 1 . 1 67 67 VAL CG2 C 13 20.5869 0.0000 . 1 . . . . . 67 VAL CG2 . 52725 1 145 . 1 . 1 75 75 THR HG21 H 1 0.9212 0.0000 . 1 . . . . . 75 THR HG21 . 52725 1 146 . 1 . 1 75 75 THR HG22 H 1 0.9212 0.0000 . 1 . . . . . 75 THR HG21 . 52725 1 147 . 1 . 1 75 75 THR HG23 H 1 0.9212 0.0000 . 1 . . . . . 75 THR HG21 . 52725 1 148 . 1 . 1 75 75 THR CG2 C 13 21.4936 0.0000 . 1 . . . . . 75 THR CG2 . 52725 1 149 . 1 . 1 76 76 LEU HD11 H 1 1.0310 0.0000 . 1 . . . . . 76 LEU HD11 . 52725 1 150 . 1 . 1 76 76 LEU HD12 H 1 1.0310 0.0000 . 1 . . . . . 76 LEU HD11 . 52725 1 151 . 1 . 1 76 76 LEU HD13 H 1 1.0310 0.0000 . 1 . . . . . 76 LEU HD11 . 52725 1 152 . 1 . 1 76 76 LEU HD21 H 1 1.0822 0.0000 . 1 . . . . . 76 LEU HD21 . 52725 1 153 . 1 . 1 76 76 LEU HD22 H 1 1.0822 0.0000 . 1 . . . . . 76 LEU HD21 . 52725 1 154 . 1 . 1 76 76 LEU HD23 H 1 1.0822 0.0000 . 1 . . . . . 76 LEU HD21 . 52725 1 155 . 1 . 1 76 76 LEU CD1 C 13 26.5903 0.0000 . 1 . . . . . 76 LEU CD1 . 52725 1 156 . 1 . 1 76 76 LEU CD2 C 13 26.0300 0.0000 . 1 . . . . . 76 LEU CD2 . 52725 1 157 . 1 . 1 77 77 THR HG21 H 1 1.1737 0.0000 . 1 . . . . . 77 THR HG21 . 52725 1 158 . 1 . 1 77 77 THR HG22 H 1 1.1737 0.0000 . 1 . . . . . 77 THR HG21 . 52725 1 159 . 1 . 1 77 77 THR HG23 H 1 1.1737 0.0000 . 1 . . . . . 77 THR HG21 . 52725 1 160 . 1 . 1 77 77 THR CG2 C 13 20.3757 0.0000 . 1 . . . . . 77 THR CG2 . 52725 1 161 . 1 . 1 78 78 ILE HD11 H 1 0.7687 0.0000 . 1 . . . . . 78 ILE HD11 . 52725 1 162 . 1 . 1 78 78 ILE HD12 H 1 0.7687 0.0000 . 1 . . . . . 78 ILE HD11 . 52725 1 163 . 1 . 1 78 78 ILE HD13 H 1 0.7687 0.0000 . 1 . . . . . 78 ILE HD11 . 52725 1 164 . 1 . 1 78 78 ILE CD1 C 13 14.2631 0.0000 . 1 . . . . . 78 ILE CD1 . 52725 1 165 . 1 . 1 83 83 VAL HG11 H 1 10.7199 0.0000 . 1 . . . . . 83 VAL HG11 . 52725 1 166 . 1 . 1 83 83 VAL HG12 H 1 10.7199 0.0000 . 1 . . . . . 83 VAL HG11 . 52725 1 167 . 1 . 1 83 83 VAL HG13 H 1 10.7199 0.0000 . 1 . . . . . 83 VAL HG11 . 52725 1 168 . 1 . 1 83 83 VAL HG21 H 1 1.2028 0.0000 . 1 . . . . . 83 VAL HG21 . 52725 1 169 . 1 . 1 83 83 VAL HG22 H 1 1.2028 0.0000 . 1 . . . . . 83 VAL HG21 . 52725 1 170 . 1 . 1 83 83 VAL HG23 H 1 1.2028 0.0000 . 1 . . . . . 83 VAL HG21 . 52725 1 171 . 1 . 1 83 83 VAL CG1 C 13 22.0936 0.0000 . 1 . . . . . 83 VAL CG1 . 52725 1 172 . 1 . 1 83 83 VAL CG2 C 13 20.2906 0.0000 . 1 . . . . . 83 VAL CG2 . 52725 1 173 . 1 . 1 85 85 MET HE1 H 1 0.6912 0.0000 . 1 . . . . . 85 MET HE1 . 52725 1 174 . 1 . 1 85 85 MET HE2 H 1 0.6912 0.0000 . 1 . . . . . 85 MET HE1 . 52725 1 175 . 1 . 1 85 85 MET HE3 H 1 0.6912 0.0000 . 1 . . . . . 85 MET HE1 . 52725 1 176 . 1 . 1 85 85 MET CE C 13 16.2469 0.0000 . 1 . . . . . 85 MET CE . 52725 1 177 . 1 . 1 86 86 THR HG21 H 1 1.0486 0.0000 . 1 . . . . . 86 THR HG21 . 52725 1 178 . 1 . 1 86 86 THR HG22 H 1 1.0486 0.0000 . 1 . . . . . 86 THR HG21 . 52725 1 179 . 1 . 1 86 86 THR HG23 H 1 1.0486 0.0000 . 1 . . . . . 86 THR HG21 . 52725 1 180 . 1 . 1 86 86 THR CG2 C 13 21.1561 0.0000 . 1 . . . . . 86 THR CG2 . 52725 1 181 . 1 . 1 90 90 VAL HG11 H 1 0.7304 0.0000 . 1 . . . . . 90 VAL HG11 . 52725 1 182 . 1 . 1 90 90 VAL HG12 H 1 0.7304 0.0000 . 1 . . . . . 90 VAL HG11 . 52725 1 183 . 1 . 1 90 90 VAL HG13 H 1 0.7304 0.0000 . 1 . . . . . 90 VAL HG11 . 52725 1 184 . 1 . 1 90 90 VAL HG21 H 1 0.7199 0.0000 . 1 . . . . . 90 VAL HG21 . 52725 1 185 . 1 . 1 90 90 VAL HG22 H 1 0.7199 0.0000 . 1 . . . . . 90 VAL HG21 . 52725 1 186 . 1 . 1 90 90 VAL HG23 H 1 0.7199 0.0000 . 1 . . . . . 90 VAL HG21 . 52725 1 187 . 1 . 1 90 90 VAL CG1 C 13 22.6274 0.0000 . 1 . . . . . 90 VAL CG1 . 52725 1 188 . 1 . 1 90 90 VAL CG2 C 13 24.6915 0.0000 . 1 . . . . . 90 VAL CG2 . 52725 1 189 . 1 . 1 91 91 ILE HD11 H 1 0.9570 0.0000 . 1 . . . . . 91 ILE HD11 . 52725 1 190 . 1 . 1 91 91 ILE HD12 H 1 0.9570 0.0000 . 1 . . . . . 91 ILE HD11 . 52725 1 191 . 1 . 1 91 91 ILE HD13 H 1 0.9570 0.0000 . 1 . . . . . 91 ILE HD11 . 52725 1 192 . 1 . 1 91 91 ILE CD1 C 13 12.9801 0.0000 . 1 . . . . . 91 ILE CD1 . 52725 1 193 . 1 . 1 94 94 LEU HD11 H 1 -0.7331 0.0000 . 1 . . . . . 94 LEU HD11 . 52725 1 194 . 1 . 1 94 94 LEU HD12 H 1 -0.7331 0.0000 . 1 . . . . . 94 LEU HD11 . 52725 1 195 . 1 . 1 94 94 LEU HD13 H 1 -0.7331 0.0000 . 1 . . . . . 94 LEU HD11 . 52725 1 196 . 1 . 1 94 94 LEU HD21 H 1 -0.8784 0.0000 . 1 . . . . . 94 LEU HD21 . 52725 1 197 . 1 . 1 94 94 LEU HD22 H 1 -0.8784 0.0000 . 1 . . . . . 94 LEU HD21 . 52725 1 198 . 1 . 1 94 94 LEU HD23 H 1 -0.8784 0.0000 . 1 . . . . . 94 LEU HD21 . 52725 1 199 . 1 . 1 94 94 LEU CD1 C 13 23.6051 0.0000 . 1 . . . . . 94 LEU CD1 . 52725 1 200 . 1 . 1 94 94 LEU CD2 C 13 19.4627 0.0000 . 1 . . . . . 94 LEU CD2 . 52725 1 201 . 1 . 1 97 97 ILE HD11 H 1 0.6544 0.0000 . 1 . . . . . 97 ILE HD11 . 52725 1 202 . 1 . 1 97 97 ILE HD12 H 1 0.6544 0.0000 . 1 . . . . . 97 ILE HD11 . 52725 1 203 . 1 . 1 97 97 ILE HD13 H 1 0.6544 0.0000 . 1 . . . . . 97 ILE HD11 . 52725 1 204 . 1 . 1 97 97 ILE CD1 C 13 13.5931 0.0000 . 1 . . . . . 97 ILE CD1 . 52725 1 205 . 1 . 1 98 98 ALA HB1 H 1 1.5011 0.0000 . 1 . . . . . 98 ALA HB1 . 52725 1 206 . 1 . 1 98 98 ALA HB2 H 1 1.5011 0.0000 . 1 . . . . . 98 ALA HB1 . 52725 1 207 . 1 . 1 98 98 ALA HB3 H 1 1.5011 0.0000 . 1 . . . . . 98 ALA HB1 . 52725 1 208 . 1 . 1 98 98 ALA CB C 13 19.3253 0.0000 . 1 . . . . . 98 ALA CB . 52725 1 209 . 1 . 1 102 102 THR HG21 H 1 1.2641 0.0000 . 1 . . . . . 102 THR HG21 . 52725 1 210 . 1 . 1 102 102 THR HG22 H 1 1.2641 0.0000 . 1 . . . . . 102 THR HG21 . 52725 1 211 . 1 . 1 102 102 THR HG23 H 1 1.2641 0.0000 . 1 . . . . . 102 THR HG21 . 52725 1 212 . 1 . 1 102 102 THR CG2 C 13 22.2494 0.0000 . 1 . . . . . 102 THR CG2 . 52725 1 213 . 1 . 1 106 106 LEU HD11 H 1 0.8033 0.0000 . 1 . . . . . 106 LEU HD11 . 52725 1 214 . 1 . 1 106 106 LEU HD12 H 1 0.8033 0.0000 . 1 . . . . . 106 LEU HD11 . 52725 1 215 . 1 . 1 106 106 LEU HD13 H 1 0.8033 0.0000 . 1 . . . . . 106 LEU HD11 . 52725 1 216 . 1 . 1 106 106 LEU HD21 H 1 0.7505 0.0000 . 1 . . . . . 106 LEU HD21 . 52725 1 217 . 1 . 1 106 106 LEU HD22 H 1 0.7505 0.0000 . 1 . . . . . 106 LEU HD21 . 52725 1 218 . 1 . 1 106 106 LEU HD23 H 1 0.7505 0.0000 . 1 . . . . . 106 LEU HD21 . 52725 1 219 . 1 . 1 106 106 LEU CD1 C 13 26.7123 0.0000 . 1 . . . . . 106 LEU CD1 . 52725 1 220 . 1 . 1 106 106 LEU CD2 C 13 22.9537 0.0000 . 1 . . . . . 106 LEU CD2 . 52725 1 221 . 1 . 1 109 109 LEU HD11 H 1 0.5590 0.0000 . 1 . . . . . 109 LEU HD11 . 52725 1 222 . 1 . 1 109 109 LEU HD12 H 1 0.5590 0.0000 . 1 . . . . . 109 LEU HD11 . 52725 1 223 . 1 . 1 109 109 LEU HD13 H 1 0.5590 0.0000 . 1 . . . . . 109 LEU HD11 . 52725 1 224 . 1 . 1 109 109 LEU HD21 H 1 0.4946 0.0000 . 1 . . . . . 109 LEU HD21 . 52725 1 225 . 1 . 1 109 109 LEU HD22 H 1 0.4946 0.0000 . 1 . . . . . 109 LEU HD21 . 52725 1 226 . 1 . 1 109 109 LEU HD23 H 1 0.4946 0.0000 . 1 . . . . . 109 LEU HD21 . 52725 1 227 . 1 . 1 109 109 LEU CD1 C 13 25.9167 0.0000 . 1 . . . . . 109 LEU CD1 . 52725 1 228 . 1 . 1 109 109 LEU CD2 C 13 22.0598 0.0000 . 1 . . . . . 109 LEU CD2 . 52725 1 229 . 1 . 1 114 114 ALA HB1 H 1 1.4360 0.0000 . 1 . . . . . 114 ALA HB1 . 52725 1 230 . 1 . 1 114 114 ALA HB2 H 1 1.4360 0.0000 . 1 . . . . . 114 ALA HB1 . 52725 1 231 . 1 . 1 114 114 ALA HB3 H 1 1.4360 0.0000 . 1 . . . . . 114 ALA HB1 . 52725 1 232 . 1 . 1 114 114 ALA CB C 13 18.4630 0.0000 . 1 . . . . . 114 ALA CB . 52725 1 233 . 1 . 1 119 119 LEU HD11 H 1 0.9443 0.0000 . 1 . . . . . 119 LEU HD11 . 52725 1 234 . 1 . 1 119 119 LEU HD12 H 1 0.9443 0.0000 . 1 . . . . . 119 LEU HD11 . 52725 1 235 . 1 . 1 119 119 LEU HD13 H 1 0.9443 0.0000 . 1 . . . . . 119 LEU HD11 . 52725 1 236 . 1 . 1 119 119 LEU HD21 H 1 0.8978 0.0000 . 1 . . . . . 119 LEU HD21 . 52725 1 237 . 1 . 1 119 119 LEU HD22 H 1 0.8978 0.0000 . 1 . . . . . 119 LEU HD21 . 52725 1 238 . 1 . 1 119 119 LEU HD23 H 1 0.8978 0.0000 . 1 . . . . . 119 LEU HD21 . 52725 1 239 . 1 . 1 119 119 LEU CD1 C 13 25.1254 0.0000 . 1 . . . . . 119 LEU CD1 . 52725 1 240 . 1 . 1 119 119 LEU CD2 C 13 23.2921 0.0000 . 1 . . . . . 119 LEU CD2 . 52725 1 241 . 1 . 1 120 120 ILE HD11 H 1 1.0032 0.0000 . 1 . . . . . 120 ILE HD11 . 52725 1 242 . 1 . 1 120 120 ILE HD12 H 1 1.0032 0.0000 . 1 . . . . . 120 ILE HD11 . 52725 1 243 . 1 . 1 120 120 ILE HD13 H 1 1.0032 0.0000 . 1 . . . . . 120 ILE HD11 . 52725 1 244 . 1 . 1 120 120 ILE CD1 C 13 15.0780 0.0000 . 1 . . . . . 120 ILE CD1 . 52725 1 245 . 1 . 1 125 125 VAL HG11 H 1 1.0066 0.0000 . 1 . . . . . 125 VAL HG11 . 52725 1 246 . 1 . 1 125 125 VAL HG12 H 1 1.0066 0.0000 . 1 . . . . . 125 VAL HG11 . 52725 1 247 . 1 . 1 125 125 VAL HG13 H 1 1.0066 0.0000 . 1 . . . . . 125 VAL HG11 . 52725 1 248 . 1 . 1 125 125 VAL HG21 H 1 0.9777 0.0000 . 1 . . . . . 125 VAL HG21 . 52725 1 249 . 1 . 1 125 125 VAL HG22 H 1 0.9777 0.0000 . 1 . . . . . 125 VAL HG21 . 52725 1 250 . 1 . 1 125 125 VAL HG23 H 1 0.9777 0.0000 . 1 . . . . . 125 VAL HG21 . 52725 1 251 . 1 . 1 125 125 VAL CG1 C 13 22.0641 0.0000 . 1 . . . . . 125 VAL CG1 . 52725 1 252 . 1 . 1 125 125 VAL CG2 C 13 20.4655 0.0000 . 1 . . . . . 125 VAL CG2 . 52725 1 253 . 1 . 1 130 130 ALA HB1 H 1 0.7790 0.0000 . 1 . . . . . 130 ALA HB1 . 52725 1 254 . 1 . 1 130 130 ALA HB2 H 1 0.7790 0.0000 . 1 . . . . . 130 ALA HB1 . 52725 1 255 . 1 . 1 130 130 ALA HB3 H 1 0.7790 0.0000 . 1 . . . . . 130 ALA HB1 . 52725 1 256 . 1 . 1 130 130 ALA CB C 13 18.4306 0.0000 . 1 . . . . . 130 ALA CB . 52725 1 257 . 1 . 1 132 132 ILE HD11 H 1 0.8034 0.0000 . 1 . . . . . 132 ILE HD11 . 52725 1 258 . 1 . 1 132 132 ILE HD12 H 1 0.8034 0.0000 . 1 . . . . . 132 ILE HD11 . 52725 1 259 . 1 . 1 132 132 ILE HD13 H 1 0.8034 0.0000 . 1 . . . . . 132 ILE HD11 . 52725 1 260 . 1 . 1 132 132 ILE CD1 C 13 14.1693 0.0000 . 1 . . . . . 132 ILE CD1 . 52725 1 261 . 1 . 1 133 133 VAL HG11 H 1 0.4922 0.0000 . 1 . . . . . 133 VAL HG11 . 52725 1 262 . 1 . 1 133 133 VAL HG12 H 1 0.4922 0.0000 . 1 . . . . . 133 VAL HG11 . 52725 1 263 . 1 . 1 133 133 VAL HG13 H 1 0.4922 0.0000 . 1 . . . . . 133 VAL HG11 . 52725 1 264 . 1 . 1 133 133 VAL HG21 H 1 -0.5597 0.0000 . 1 . . . . . 133 VAL HG21 . 52725 1 265 . 1 . 1 133 133 VAL HG22 H 1 -0.5597 0.0000 . 1 . . . . . 133 VAL HG21 . 52725 1 266 . 1 . 1 133 133 VAL HG23 H 1 -0.5597 0.0000 . 1 . . . . . 133 VAL HG21 . 52725 1 267 . 1 . 1 133 133 VAL CG1 C 13 22.1167 0.0000 . 1 . . . . . 133 VAL CG1 . 52725 1 268 . 1 . 1 133 133 VAL CG2 C 13 15.8852 0.0000 . 1 . . . . . 133 VAL CG2 . 52725 1 269 . 1 . 1 134 134 ALA HB1 H 1 11.3746 0.0000 . 1 . . . . . 134 ALA HB1 . 52725 1 270 . 1 . 1 134 134 ALA HB2 H 1 11.3746 0.0000 . 1 . . . . . 134 ALA HB1 . 52725 1 271 . 1 . 1 134 134 ALA HB3 H 1 11.3746 0.0000 . 1 . . . . . 134 ALA HB1 . 52725 1 272 . 1 . 1 134 134 ALA CB C 13 21.7967 0.0000 . 1 . . . . . 134 ALA CB . 52725 1 273 . 1 . 1 137 137 VAL HG21 H 1 0.3635 0.0000 . 1 . . . . . 137 VAL HG21 . 52725 1 274 . 1 . 1 137 137 VAL HG22 H 1 0.3635 0.0000 . 1 . . . . . 137 VAL HG21 . 52725 1 275 . 1 . 1 137 137 VAL HG23 H 1 0.3635 0.0000 . 1 . . . . . 137 VAL HG21 . 52725 1 276 . 1 . 1 137 137 VAL CG2 C 13 22.2322 0.0000 . 1 . . . . . 137 VAL CG2 . 52725 1 277 . 1 . 1 138 138 THR HG21 H 1 1.2001 0.0000 . 1 . . . . . 138 THR HG21 . 52725 1 278 . 1 . 1 138 138 THR HG22 H 1 1.2001 0.0000 . 1 . . . . . 138 THR HG21 . 52725 1 279 . 1 . 1 138 138 THR HG23 H 1 1.2001 0.0000 . 1 . . . . . 138 THR HG21 . 52725 1 280 . 1 . 1 138 138 THR CG2 C 13 22.6859 0.0000 . 1 . . . . . 138 THR CG2 . 52725 1 281 . 1 . 1 139 139 VAL HG11 H 1 0.4263 0.0000 . 1 . . . . . 139 VAL HG11 . 52725 1 282 . 1 . 1 139 139 VAL HG12 H 1 0.4263 0.0000 . 1 . . . . . 139 VAL HG11 . 52725 1 283 . 1 . 1 139 139 VAL HG13 H 1 0.4263 0.0000 . 1 . . . . . 139 VAL HG11 . 52725 1 284 . 1 . 1 139 139 VAL HG21 H 1 0.8207 0.0000 . 1 . . . . . 139 VAL HG21 . 52725 1 285 . 1 . 1 139 139 VAL HG22 H 1 0.8207 0.0000 . 1 . . . . . 139 VAL HG21 . 52725 1 286 . 1 . 1 139 139 VAL HG23 H 1 0.8207 0.0000 . 1 . . . . . 139 VAL HG21 . 52725 1 287 . 1 . 1 139 139 VAL CG1 C 13 20.3125 0.0000 . 1 . . . . . 139 VAL CG1 . 52725 1 288 . 1 . 1 139 139 VAL CG2 C 13 21.7236 0.0000 . 1 . . . . . 139 VAL CG2 . 52725 1 289 . 1 . 1 141 141 THR HG21 H 1 1.0287 0.0000 . 1 . . . . . 141 THR HG21 . 52725 1 290 . 1 . 1 141 141 THR HG22 H 1 1.0287 0.0000 . 1 . . . . . 141 THR HG21 . 52725 1 291 . 1 . 1 141 141 THR HG23 H 1 1.0287 0.0000 . 1 . . . . . 141 THR HG21 . 52725 1 292 . 1 . 1 141 141 THR CG2 C 13 19.6265 0.0000 . 1 . . . . . 141 THR CG2 . 52725 1 293 . 1 . 1 143 143 ALA HB1 H 1 1.3218 0.0000 . 1 . . . . . 143 ALA HB1 . 52725 1 294 . 1 . 1 143 143 ALA HB2 H 1 1.3218 0.0000 . 1 . . . . . 143 ALA HB1 . 52725 1 295 . 1 . 1 143 143 ALA HB3 H 1 1.3218 0.0000 . 1 . . . . . 143 ALA HB1 . 52725 1 296 . 1 . 1 143 143 ALA CB C 13 19.3544 0.0000 . 1 . . . . . 143 ALA CB . 52725 1 297 . 1 . 1 144 144 ALA HB1 H 1 1.3562 0.0000 . 1 . . . . . 144 ALA HB1 . 52725 1 298 . 1 . 1 144 144 ALA HB2 H 1 1.3562 0.0000 . 1 . . . . . 144 ALA HB1 . 52725 1 299 . 1 . 1 144 144 ALA HB3 H 1 1.3562 0.0000 . 1 . . . . . 144 ALA HB1 . 52725 1 300 . 1 . 1 144 144 ALA CB C 13 19.7156 0.0000 . 1 . . . . . 144 ALA CB . 52725 1 301 . 1 . 1 152 152 VAL HG11 H 1 1.1480 0.0000 . 1 . . . . . 152 VAL HG11 . 52725 1 302 . 1 . 1 152 152 VAL HG12 H 1 1.1480 0.0000 . 1 . . . . . 152 VAL HG11 . 52725 1 303 . 1 . 1 152 152 VAL HG13 H 1 1.1480 0.0000 . 1 . . . . . 152 VAL HG11 . 52725 1 304 . 1 . 1 152 152 VAL HG21 H 1 0.8419 0.0000 . 1 . . . . . 152 VAL HG21 . 52725 1 305 . 1 . 1 152 152 VAL HG22 H 1 0.8419 0.0000 . 1 . . . . . 152 VAL HG21 . 52725 1 306 . 1 . 1 152 152 VAL HG23 H 1 0.8419 0.0000 . 1 . . . . . 152 VAL HG21 . 52725 1 307 . 1 . 1 152 152 VAL CG1 C 13 23.0278 0.0000 . 1 . . . . . 152 VAL CG1 . 52725 1 308 . 1 . 1 152 152 VAL CG2 C 13 20.8291 0.0000 . 1 . . . . . 152 VAL CG2 . 52725 1 309 . 1 . 1 157 157 ALA HB1 H 1 1.5904 0.0000 . 1 . . . . . 157 ALA HB1 . 52725 1 310 . 1 . 1 157 157 ALA HB2 H 1 1.5904 0.0000 . 1 . . . . . 157 ALA HB1 . 52725 1 311 . 1 . 1 157 157 ALA HB3 H 1 1.5904 0.0000 . 1 . . . . . 157 ALA HB1 . 52725 1 312 . 1 . 1 157 157 ALA CB C 13 19.4346 0.0000 . 1 . . . . . 157 ALA CB . 52725 1 313 . 1 . 1 163 163 THR HG21 H 1 1.1718 0.0000 . 1 . . . . . 163 THR HG21 . 52725 1 314 . 1 . 1 163 163 THR HG22 H 1 1.1718 0.0000 . 1 . . . . . 163 THR HG21 . 52725 1 315 . 1 . 1 163 163 THR HG23 H 1 1.1718 0.0000 . 1 . . . . . 163 THR HG21 . 52725 1 316 . 1 . 1 163 163 THR CG2 C 13 20.4009 0.0000 . 1 . . . . . 163 THR CG2 . 52725 1 317 . 1 . 1 164 164 VAL HG11 H 1 1.1660 0.0000 . 1 . . . . . 164 VAL HG11 . 52725 1 318 . 1 . 1 164 164 VAL HG12 H 1 1.1660 0.0000 . 1 . . . . . 164 VAL HG11 . 52725 1 319 . 1 . 1 164 164 VAL HG13 H 1 1.1660 0.0000 . 1 . . . . . 164 VAL HG11 . 52725 1 320 . 1 . 1 164 164 VAL HG21 H 1 1.2165 0.0000 . 1 . . . . . 164 VAL HG21 . 52725 1 321 . 1 . 1 164 164 VAL HG22 H 1 1.2165 0.0000 . 1 . . . . . 164 VAL HG21 . 52725 1 322 . 1 . 1 164 164 VAL HG23 H 1 1.2165 0.0000 . 1 . . . . . 164 VAL HG21 . 52725 1 323 . 1 . 1 164 164 VAL CG1 C 13 20.8193 0.0000 . 1 . . . . . 164 VAL CG1 . 52725 1 324 . 1 . 1 164 164 VAL CG2 C 13 21.4754 0.0000 . 1 . . . . . 164 VAL CG2 . 52725 1 325 . 1 . 1 165 165 ALA HB1 H 1 1.3467 0.0000 . 1 . . . . . 165 ALA HB1 . 52725 1 326 . 1 . 1 165 165 ALA HB2 H 1 1.3467 0.0000 . 1 . . . . . 165 ALA HB1 . 52725 1 327 . 1 . 1 165 165 ALA HB3 H 1 1.3467 0.0000 . 1 . . . . . 165 ALA HB1 . 52725 1 328 . 1 . 1 165 165 ALA CB C 13 23.3486 0.0000 . 1 . . . . . 165 ALA CB . 52725 1 329 . 1 . 1 167 167 ILE HD11 H 1 0.9108 0.0000 . 1 . . . . . 167 ILE HD11 . 52725 1 330 . 1 . 1 167 167 ILE HD12 H 1 0.9108 0.0000 . 1 . . . . . 167 ILE HD11 . 52725 1 331 . 1 . 1 167 167 ILE HD13 H 1 0.9108 0.0000 . 1 . . . . . 167 ILE HD11 . 52725 1 332 . 1 . 1 167 167 ILE CD1 C 13 14.2136 0.0000 . 1 . . . . . 167 ILE CD1 . 52725 1 333 . 1 . 1 174 174 THR HG21 H 1 0.9619 0.0000 . 1 . . . . . 174 THR HG21 . 52725 1 334 . 1 . 1 174 174 THR HG22 H 1 0.9619 0.0000 . 1 . . . . . 174 THR HG21 . 52725 1 335 . 1 . 1 174 174 THR HG23 H 1 0.9619 0.0000 . 1 . . . . . 174 THR HG21 . 52725 1 336 . 1 . 1 174 174 THR CG2 C 13 21.0634 0.0000 . 1 . . . . . 174 THR CG2 . 52725 1 337 . 1 . 1 176 176 ILE HD11 H 1 0.8588 0.0000 . 1 . . . . . 176 ILE HD11 . 52725 1 338 . 1 . 1 176 176 ILE HD12 H 1 0.8588 0.0000 . 1 . . . . . 176 ILE HD11 . 52725 1 339 . 1 . 1 176 176 ILE HD13 H 1 0.8588 0.0000 . 1 . . . . . 176 ILE HD11 . 52725 1 340 . 1 . 1 176 176 ILE CD1 C 13 14.7708 0.0000 . 1 . . . . . 176 ILE CD1 . 52725 1 341 . 1 . 1 177 177 THR HG21 H 1 1.2119 0.0000 . 1 . . . . . 177 THR HG21 . 52725 1 342 . 1 . 1 177 177 THR HG22 H 1 1.2119 0.0000 . 1 . . . . . 177 THR HG21 . 52725 1 343 . 1 . 1 177 177 THR HG23 H 1 1.2119 0.0000 . 1 . . . . . 177 THR HG21 . 52725 1 344 . 1 . 1 177 177 THR CG2 C 13 21.8766 0.0000 . 1 . . . . . 177 THR CG2 . 52725 1 345 . 1 . 1 178 178 LEU HD11 H 1 0.4522 0.0000 . 1 . . . . . 178 LEU HD11 . 52725 1 346 . 1 . 1 178 178 LEU HD12 H 1 0.4522 0.0000 . 1 . . . . . 178 LEU HD11 . 52725 1 347 . 1 . 1 178 178 LEU HD13 H 1 0.4522 0.0000 . 1 . . . . . 178 LEU HD11 . 52725 1 348 . 1 . 1 178 178 LEU HD21 H 1 0.7120 0.0000 . 1 . . . . . 178 LEU HD21 . 52725 1 349 . 1 . 1 178 178 LEU HD22 H 1 0.7120 0.0000 . 1 . . . . . 178 LEU HD21 . 52725 1 350 . 1 . 1 178 178 LEU HD23 H 1 0.7120 0.0000 . 1 . . . . . 178 LEU HD21 . 52725 1 351 . 1 . 1 178 178 LEU CD1 C 13 27.7594 0.0000 . 1 . . . . . 178 LEU CD1 . 52725 1 352 . 1 . 1 178 178 LEU CD2 C 13 25.3992 0.0000 . 1 . . . . . 178 LEU CD2 . 52725 1 353 . 1 . 1 180 180 LEU HD11 H 1 0.7841 0.0000 . 1 . . . . . 180 LEU HD11 . 52725 1 354 . 1 . 1 180 180 LEU HD12 H 1 0.7841 0.0000 . 1 . . . . . 180 LEU HD11 . 52725 1 355 . 1 . 1 180 180 LEU HD13 H 1 0.7841 0.0000 . 1 . . . . . 180 LEU HD11 . 52725 1 356 . 1 . 1 180 180 LEU HD21 H 1 0.6052 0.0000 . 1 . . . . . 180 LEU HD21 . 52725 1 357 . 1 . 1 180 180 LEU HD22 H 1 0.6052 0.0000 . 1 . . . . . 180 LEU HD21 . 52725 1 358 . 1 . 1 180 180 LEU HD23 H 1 0.6052 0.0000 . 1 . . . . . 180 LEU HD21 . 52725 1 359 . 1 . 1 180 180 LEU CD1 C 13 26.4056 0.0000 . 1 . . . . . 180 LEU CD1 . 52725 1 360 . 1 . 1 180 180 LEU CD2 C 13 21.9345 0.0000 . 1 . . . . . 180 LEU CD2 . 52725 1 361 . 1 . 1 188 188 LEU HD11 H 1 0.9268 0.0000 . 1 . . . . . 188 LEU HD11 . 52725 1 362 . 1 . 1 188 188 LEU HD12 H 1 0.9268 0.0000 . 1 . . . . . 188 LEU HD11 . 52725 1 363 . 1 . 1 188 188 LEU HD13 H 1 0.9268 0.0000 . 1 . . . . . 188 LEU HD11 . 52725 1 364 . 1 . 1 188 188 LEU HD21 H 1 0.7991 0.0000 . 1 . . . . . 188 LEU HD21 . 52725 1 365 . 1 . 1 188 188 LEU HD22 H 1 0.7991 0.0000 . 1 . . . . . 188 LEU HD21 . 52725 1 366 . 1 . 1 188 188 LEU HD23 H 1 0.7991 0.0000 . 1 . . . . . 188 LEU HD21 . 52725 1 367 . 1 . 1 188 188 LEU CD1 C 13 26.4144 0.0000 . 1 . . . . . 188 LEU CD1 . 52725 1 368 . 1 . 1 188 188 LEU CD2 C 13 24.1785 0.0000 . 1 . . . . . 188 LEU CD2 . 52725 1 369 . 1 . 1 193 193 VAL HG11 H 1 0.6121 0.0000 . 1 . . . . . 193 VAL HG11 . 52725 1 370 . 1 . 1 193 193 VAL HG12 H 1 0.6121 0.0000 . 1 . . . . . 193 VAL HG11 . 52725 1 371 . 1 . 1 193 193 VAL HG13 H 1 0.6121 0.0000 . 1 . . . . . 193 VAL HG11 . 52725 1 372 . 1 . 1 193 193 VAL HG21 H 1 1.2975 0.0000 . 1 . . . . . 193 VAL HG21 . 52725 1 373 . 1 . 1 193 193 VAL HG22 H 1 1.2975 0.0000 . 1 . . . . . 193 VAL HG21 . 52725 1 374 . 1 . 1 193 193 VAL HG23 H 1 1.2975 0.0000 . 1 . . . . . 193 VAL HG21 . 52725 1 375 . 1 . 1 193 193 VAL CG1 C 13 21.2765 0.0000 . 1 . . . . . 193 VAL CG1 . 52725 1 376 . 1 . 1 193 193 VAL CG2 C 13 24.1347 0.0000 . 1 . . . . . 193 VAL CG2 . 52725 1 377 . 1 . 1 196 196 ILE HD11 H 1 0.9373 0.0000 . 1 . . . . . 196 ILE HD11 . 52725 1 378 . 1 . 1 196 196 ILE HD12 H 1 0.9373 0.0000 . 1 . . . . . 196 ILE HD11 . 52725 1 379 . 1 . 1 196 196 ILE HD13 H 1 0.9373 0.0000 . 1 . . . . . 196 ILE HD11 . 52725 1 380 . 1 . 1 196 196 ILE CD1 C 13 15.0599 0.0000 . 1 . . . . . 196 ILE CD1 . 52725 1 381 . 1 . 1 197 197 ILE HD11 H 1 0.7029 0.0000 . 1 . . . . . 197 ILE HD11 . 52725 1 382 . 1 . 1 197 197 ILE HD12 H 1 0.7029 0.0000 . 1 . . . . . 197 ILE HD11 . 52725 1 383 . 1 . 1 197 197 ILE HD13 H 1 0.7029 0.0000 . 1 . . . . . 197 ILE HD11 . 52725 1 384 . 1 . 1 197 197 ILE CD1 C 13 14.3434 0.0000 . 1 . . . . . 197 ILE CD1 . 52725 1 385 . 1 . 1 204 204 ILE HD11 H 1 0.7265 0.0000 . 1 . . . . . 204 ILE HD11 . 52725 1 386 . 1 . 1 204 204 ILE HD12 H 1 0.7265 0.0000 . 1 . . . . . 204 ILE HD11 . 52725 1 387 . 1 . 1 204 204 ILE HD13 H 1 0.7265 0.0000 . 1 . . . . . 204 ILE HD11 . 52725 1 388 . 1 . 1 204 204 ILE CD1 C 13 12.4690 0.0000 . 1 . . . . . 204 ILE CD1 . 52725 1 389 . 1 . 1 205 205 ALA HB1 H 1 1.3579 0.0000 . 1 . . . . . 205 ALA HB1 . 52725 1 390 . 1 . 1 205 205 ALA HB2 H 1 1.3579 0.0000 . 1 . . . . . 205 ALA HB1 . 52725 1 391 . 1 . 1 205 205 ALA HB3 H 1 1.3579 0.0000 . 1 . . . . . 205 ALA HB1 . 52725 1 392 . 1 . 1 205 205 ALA CB C 13 18.9362 0.0000 . 1 . . . . . 205 ALA CB . 52725 1 393 . 1 . 1 206 206 LEU HD11 H 1 0.6654 0.0000 . 1 . . . . . 206 LEU HD11 . 52725 1 394 . 1 . 1 206 206 LEU HD12 H 1 0.6654 0.0000 . 1 . . . . . 206 LEU HD11 . 52725 1 395 . 1 . 1 206 206 LEU HD13 H 1 0.6654 0.0000 . 1 . . . . . 206 LEU HD11 . 52725 1 396 . 1 . 1 206 206 LEU HD21 H 1 0.6867 0.0000 . 1 . . . . . 206 LEU HD21 . 52725 1 397 . 1 . 1 206 206 LEU HD22 H 1 0.6867 0.0000 . 1 . . . . . 206 LEU HD21 . 52725 1 398 . 1 . 1 206 206 LEU HD23 H 1 0.6867 0.0000 . 1 . . . . . 206 LEU HD21 . 52725 1 399 . 1 . 1 206 206 LEU CD1 C 13 25.2188 0.0000 . 1 . . . . . 206 LEU CD1 . 52725 1 400 . 1 . 1 206 206 LEU CD2 C 13 25.0984 0.0000 . 1 . . . . . 206 LEU CD2 . 52725 1 401 . 1 . 1 208 208 VAL HG11 H 1 0.8204 0.0000 . 1 . . . . . 208 VAL HG11 . 52725 1 402 . 1 . 1 208 208 VAL HG12 H 1 0.8204 0.0000 . 1 . . . . . 208 VAL HG11 . 52725 1 403 . 1 . 1 208 208 VAL HG13 H 1 0.8204 0.0000 . 1 . . . . . 208 VAL HG11 . 52725 1 404 . 1 . 1 208 208 VAL HG21 H 1 0.7209 0.0000 . 1 . . . . . 208 VAL HG21 . 52725 1 405 . 1 . 1 208 208 VAL HG22 H 1 0.7209 0.0000 . 1 . . . . . 208 VAL HG21 . 52725 1 406 . 1 . 1 208 208 VAL HG23 H 1 0.7209 0.0000 . 1 . . . . . 208 VAL HG21 . 52725 1 407 . 1 . 1 208 208 VAL CG1 C 13 20.5390 0.0000 . 1 . . . . . 208 VAL CG1 . 52725 1 408 . 1 . 1 208 208 VAL CG2 C 13 21.4624 0.0000 . 1 . . . . . 208 VAL CG2 . 52725 1 409 . 1 . 1 210 210 ILE HD11 H 1 0.8090 0.0000 . 1 . . . . . 210 ILE HD11 . 52725 1 410 . 1 . 1 210 210 ILE HD12 H 1 0.8090 0.0000 . 1 . . . . . 210 ILE HD11 . 52725 1 411 . 1 . 1 210 210 ILE HD13 H 1 0.8090 0.0000 . 1 . . . . . 210 ILE HD11 . 52725 1 412 . 1 . 1 210 210 ILE CD1 C 13 13.6348 0.0000 . 1 . . . . . 210 ILE CD1 . 52725 1 stop_ save_