################################### # 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 52723 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'The AMPPNP-bound state of E coli Hsp90' _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' . . . 52723 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 . . 52723 1 2 $software_2 . . 52723 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 6 6 THR HG21 H 1 1.1618 0.0000 . 1 . . . . . 6 THR HG21 . 52723 1 2 . 1 . 1 6 6 THR HG22 H 1 1.1618 0.0000 . 1 . . . . . 6 THR HG21 . 52723 1 3 . 1 . 1 6 6 THR HG23 H 1 1.1618 0.0000 . 1 . . . . . 6 THR HG21 . 52723 1 4 . 1 . 1 6 6 THR CG2 C 13 21.9185 0.0000 . 1 . . . . . 6 THR CG2 . 52723 1 5 . 1 . 1 13 13 VAL HG11 H 1 0.9008 0.0000 . 1 . . . . . 13 VAL HG11 . 52723 1 6 . 1 . 1 13 13 VAL HG12 H 1 0.9008 0.0000 . 1 . . . . . 13 VAL HG11 . 52723 1 7 . 1 . 1 13 13 VAL HG13 H 1 0.9008 0.0000 . 1 . . . . . 13 VAL HG11 . 52723 1 8 . 1 . 1 13 13 VAL HG21 H 1 0.3526 0.0000 . 1 . . . . . 13 VAL HG21 . 52723 1 9 . 1 . 1 13 13 VAL HG22 H 1 0.3526 0.0000 . 1 . . . . . 13 VAL HG21 . 52723 1 10 . 1 . 1 13 13 VAL HG23 H 1 0.3526 0.0000 . 1 . . . . . 13 VAL HG21 . 52723 1 11 . 1 . 1 13 13 VAL CG1 C 13 23.2028 0.0000 . 1 . . . . . 13 VAL CG1 . 52723 1 12 . 1 . 1 13 13 VAL CG2 C 13 21.0575 0.0000 . 1 . . . . . 13 VAL CG2 . 52723 1 13 . 1 . 1 16 16 LEU HD21 H 1 0.4103 0.0000 . 1 . . . . . 16 LEU HD21 . 52723 1 14 . 1 . 1 16 16 LEU HD22 H 1 0.4103 0.0000 . 1 . . . . . 16 LEU HD21 . 52723 1 15 . 1 . 1 16 16 LEU HD23 H 1 0.4103 0.0000 . 1 . . . . . 16 LEU HD21 . 52723 1 16 . 1 . 1 16 16 LEU CD2 C 13 24.9445 0.0000 . 1 . . . . . 16 LEU CD2 . 52723 1 17 . 1 . 1 20 20 MET HE1 H 1 1.9733 0.0000 . 1 . . . . . 20 MET HE1 . 52723 1 18 . 1 . 1 20 20 MET HE2 H 1 1.9733 0.0000 . 1 . . . . . 20 MET HE1 . 52723 1 19 . 1 . 1 20 20 MET HE3 H 1 1.9733 0.0000 . 1 . . . . . 20 MET HE1 . 52723 1 20 . 1 . 1 20 20 MET CE C 13 17.8046 0.0000 . 1 . . . . . 20 MET CE . 52723 1 21 . 1 . 1 21 21 ILE HD11 H 1 0.7649 0.0000 . 1 . . . . . 21 ILE HD11 . 52723 1 22 . 1 . 1 21 21 ILE HD12 H 1 0.7649 0.0000 . 1 . . . . . 21 ILE HD11 . 52723 1 23 . 1 . 1 21 21 ILE HD13 H 1 0.7649 0.0000 . 1 . . . . . 21 ILE HD11 . 52723 1 24 . 1 . 1 21 21 ILE CD1 C 13 13.6891 0.0000 . 1 . . . . . 21 ILE CD1 . 52723 1 25 . 1 . 1 24 24 LEU HD11 H 1 0.8378 0.0000 . 1 . . . . . 24 LEU HD11 . 52723 1 26 . 1 . 1 24 24 LEU HD12 H 1 0.8378 0.0000 . 1 . . . . . 24 LEU HD11 . 52723 1 27 . 1 . 1 24 24 LEU HD13 H 1 0.8378 0.0000 . 1 . . . . . 24 LEU HD11 . 52723 1 28 . 1 . 1 24 24 LEU HD21 H 1 0.7883 0.0000 . 1 . . . . . 24 LEU HD21 . 52723 1 29 . 1 . 1 24 24 LEU HD22 H 1 0.7883 0.0000 . 1 . . . . . 24 LEU HD21 . 52723 1 30 . 1 . 1 24 24 LEU HD23 H 1 0.7883 0.0000 . 1 . . . . . 24 LEU HD21 . 52723 1 31 . 1 . 1 24 24 LEU CD1 C 13 25.5670 0.0000 . 1 . . . . . 24 LEU CD1 . 52723 1 32 . 1 . 1 24 24 LEU CD2 C 13 23.7764 0.0000 . 1 . . . . . 24 LEU CD2 . 52723 1 33 . 1 . 1 30 30 ILE HD11 H 1 0.8528 0.0000 . 1 . . . . . 30 ILE HD11 . 52723 1 34 . 1 . 1 30 30 ILE HD12 H 1 0.8528 0.0000 . 1 . . . . . 30 ILE HD11 . 52723 1 35 . 1 . 1 30 30 ILE HD13 H 1 0.8528 0.0000 . 1 . . . . . 30 ILE HD11 . 52723 1 36 . 1 . 1 30 30 ILE CD1 C 13 14.2780 0.0000 . 1 . . . . . 30 ILE CD1 . 52723 1 37 . 1 . 1 32 32 LEU HD11 H 1 0.5512 0.0000 . 1 . . . . . 32 LEU HD11 . 52723 1 38 . 1 . 1 32 32 LEU HD12 H 1 0.5512 0.0000 . 1 . . . . . 32 LEU HD11 . 52723 1 39 . 1 . 1 32 32 LEU HD13 H 1 0.5512 0.0000 . 1 . . . . . 32 LEU HD11 . 52723 1 40 . 1 . 1 32 32 LEU HD21 H 1 0.7895 0.0000 . 1 . . . . . 32 LEU HD21 . 52723 1 41 . 1 . 1 32 32 LEU HD22 H 1 0.7895 0.0000 . 1 . . . . . 32 LEU HD21 . 52723 1 42 . 1 . 1 32 32 LEU HD23 H 1 0.7895 0.0000 . 1 . . . . . 32 LEU HD21 . 52723 1 43 . 1 . 1 32 32 LEU CD1 C 13 24.3554 0.0000 . 1 . . . . . 32 LEU CD1 . 52723 1 44 . 1 . 1 32 32 LEU CD2 C 13 25.8135 0.0000 . 1 . . . . . 32 LEU CD2 . 52723 1 45 . 1 . 1 35 35 LEU HD11 H 1 0.9309 0.0000 . 1 . . . . . 35 LEU HD11 . 52723 1 46 . 1 . 1 35 35 LEU HD12 H 1 0.9309 0.0000 . 1 . . . . . 35 LEU HD11 . 52723 1 47 . 1 . 1 35 35 LEU HD13 H 1 0.9309 0.0000 . 1 . . . . . 35 LEU HD11 . 52723 1 48 . 1 . 1 35 35 LEU CD1 C 13 26.5243 0.0000 . 1 . . . . . 35 LEU CD1 . 52723 1 49 . 1 . 1 36 36 ILE HD11 H 1 0.6770 0.0000 . 1 . . . . . 36 ILE HD11 . 52723 1 50 . 1 . 1 36 36 ILE HD12 H 1 0.6770 0.0000 . 1 . . . . . 36 ILE HD11 . 52723 1 51 . 1 . 1 36 36 ILE HD13 H 1 0.6770 0.0000 . 1 . . . . . 36 ILE HD11 . 52723 1 52 . 1 . 1 36 36 ILE CD1 C 13 12.6677 0.0000 . 1 . . . . . 36 ILE CD1 . 52723 1 53 . 1 . 1 39 39 ALA HB1 H 1 1.4213 0.0000 . 1 . . . . . 39 ALA HB1 . 52723 1 54 . 1 . 1 39 39 ALA HB2 H 1 1.4213 0.0000 . 1 . . . . . 39 ALA HB1 . 52723 1 55 . 1 . 1 39 39 ALA HB3 H 1 1.4213 0.0000 . 1 . . . . . 39 ALA HB1 . 52723 1 56 . 1 . 1 39 39 ALA CB C 13 18.6061 0.0000 . 1 . . . . . 39 ALA CB . 52723 1 57 . 1 . 1 42 42 ALA HB1 H 1 1.7190 0.0000 . 1 . . . . . 42 ALA HB1 . 52723 1 58 . 1 . 1 42 42 ALA HB2 H 1 1.7190 0.0000 . 1 . . . . . 42 ALA HB1 . 52723 1 59 . 1 . 1 42 42 ALA HB3 H 1 1.7190 0.0000 . 1 . . . . . 42 ALA HB1 . 52723 1 60 . 1 . 1 42 42 ALA CB C 13 19.0268 0.0000 . 1 . . . . . 42 ALA CB . 52723 1 61 . 1 . 1 43 43 ALA HB1 H 1 1.6438 0.0000 . 1 . . . . . 43 ALA HB1 . 52723 1 62 . 1 . 1 43 43 ALA HB2 H 1 1.6438 0.0000 . 1 . . . . . 43 ALA HB1 . 52723 1 63 . 1 . 1 43 43 ALA HB3 H 1 1.6438 0.0000 . 1 . . . . . 43 ALA HB1 . 52723 1 64 . 1 . 1 43 43 ALA CB C 13 19.5137 0.0000 . 1 . . . . . 43 ALA CB . 52723 1 65 . 1 . 1 46 46 LEU HD11 H 1 0.9524 0.0000 . 1 . . . . . 46 LEU HD11 . 52723 1 66 . 1 . 1 46 46 LEU HD12 H 1 0.9524 0.0000 . 1 . . . . . 46 LEU HD11 . 52723 1 67 . 1 . 1 46 46 LEU HD13 H 1 0.9524 0.0000 . 1 . . . . . 46 LEU HD11 . 52723 1 68 . 1 . 1 46 46 LEU CD1 C 13 28.1013 0.0000 . 1 . . . . . 46 LEU CD1 . 52723 1 69 . 1 . 1 56 56 LEU HD11 H 1 0.6693 0.0000 . 1 . . . . . 56 LEU HD11 . 52723 1 70 . 1 . 1 56 56 LEU HD12 H 1 0.6693 0.0000 . 1 . . . . . 56 LEU HD11 . 52723 1 71 . 1 . 1 56 56 LEU HD13 H 1 0.6693 0.0000 . 1 . . . . . 56 LEU HD11 . 52723 1 72 . 1 . 1 56 56 LEU HD21 H 1 0.6415 0.0000 . 1 . . . . . 56 LEU HD21 . 52723 1 73 . 1 . 1 56 56 LEU HD22 H 1 0.6415 0.0000 . 1 . . . . . 56 LEU HD21 . 52723 1 74 . 1 . 1 56 56 LEU HD23 H 1 0.6415 0.0000 . 1 . . . . . 56 LEU HD21 . 52723 1 75 . 1 . 1 56 56 LEU CD1 C 13 26.0382 0.0000 . 1 . . . . . 56 LEU CD1 . 52723 1 76 . 1 . 1 56 56 LEU CD2 C 13 21.7694 0.0000 . 1 . . . . . 56 LEU CD2 . 52723 1 77 . 1 . 1 63 63 LEU HD11 H 1 1.0660 0.0000 . 1 . . . . . 63 LEU HD11 . 52723 1 78 . 1 . 1 63 63 LEU HD12 H 1 1.0660 0.0000 . 1 . . . . . 63 LEU HD11 . 52723 1 79 . 1 . 1 63 63 LEU HD13 H 1 1.0660 0.0000 . 1 . . . . . 63 LEU HD11 . 52723 1 80 . 1 . 1 63 63 LEU CD1 C 13 27.2902 0.0000 . 1 . . . . . 63 LEU CD1 . 52723 1 81 . 1 . 1 67 67 VAL HG11 H 1 1.0496 0.0000 . 1 . . . . . 67 VAL HG11 . 52723 1 82 . 1 . 1 67 67 VAL HG12 H 1 1.0496 0.0000 . 1 . . . . . 67 VAL HG11 . 52723 1 83 . 1 . 1 67 67 VAL HG13 H 1 1.0496 0.0000 . 1 . . . . . 67 VAL HG11 . 52723 1 84 . 1 . 1 67 67 VAL CG1 C 13 21.8698 0.0000 . 1 . . . . . 67 VAL CG1 . 52723 1 85 . 1 . 1 76 76 LEU HD11 H 1 0.9317 0.0000 . 1 . . . . . 76 LEU HD11 . 52723 1 86 . 1 . 1 76 76 LEU HD12 H 1 0.9317 0.0000 . 1 . . . . . 76 LEU HD11 . 52723 1 87 . 1 . 1 76 76 LEU HD13 H 1 0.9317 0.0000 . 1 . . . . . 76 LEU HD11 . 52723 1 88 . 1 . 1 76 76 LEU HD21 H 1 1.1216 0.0000 . 1 . . . . . 76 LEU HD21 . 52723 1 89 . 1 . 1 76 76 LEU HD22 H 1 1.1216 0.0000 . 1 . . . . . 76 LEU HD21 . 52723 1 90 . 1 . 1 76 76 LEU HD23 H 1 1.1216 0.0000 . 1 . . . . . 76 LEU HD21 . 52723 1 91 . 1 . 1 76 76 LEU CD1 C 13 20.7086 0.0000 . 1 . . . . . 76 LEU CD1 . 52723 1 92 . 1 . 1 76 76 LEU CD2 C 13 26.1340 0.0000 . 1 . . . . . 76 LEU CD2 . 52723 1 93 . 1 . 1 77 77 THR HG21 H 1 1.1759 0.0000 . 1 . . . . . 77 THR HG21 . 52723 1 94 . 1 . 1 77 77 THR HG22 H 1 1.1759 0.0000 . 1 . . . . . 77 THR HG21 . 52723 1 95 . 1 . 1 77 77 THR HG23 H 1 1.1759 0.0000 . 1 . . . . . 77 THR HG21 . 52723 1 96 . 1 . 1 77 77 THR CG2 C 13 20.5547 0.0000 . 1 . . . . . 77 THR CG2 . 52723 1 97 . 1 . 1 83 83 VAL HG11 H 1 1.1555 0.0000 . 1 . . . . . 83 VAL HG11 . 52723 1 98 . 1 . 1 83 83 VAL HG12 H 1 1.1555 0.0000 . 1 . . . . . 83 VAL HG11 . 52723 1 99 . 1 . 1 83 83 VAL HG13 H 1 1.1555 0.0000 . 1 . . . . . 83 VAL HG11 . 52723 1 100 . 1 . 1 83 83 VAL CG1 C 13 21.0827 0.0000 . 1 . . . . . 83 VAL CG1 . 52723 1 101 . 1 . 1 85 85 MET HE1 H 1 1.6559 0.0000 . 1 . . . . . 85 MET HE1 . 52723 1 102 . 1 . 1 85 85 MET HE2 H 1 1.6559 0.0000 . 1 . . . . . 85 MET HE1 . 52723 1 103 . 1 . 1 85 85 MET HE3 H 1 1.6559 0.0000 . 1 . . . . . 85 MET HE1 . 52723 1 104 . 1 . 1 85 85 MET CE C 13 17.2873 0.0000 . 1 . . . . . 85 MET CE . 52723 1 105 . 1 . 1 86 86 THR HG21 H 1 1.0547 0.0000 . 1 . . . . . 86 THR HG21 . 52723 1 106 . 1 . 1 86 86 THR HG22 H 1 1.0547 0.0000 . 1 . . . . . 86 THR HG21 . 52723 1 107 . 1 . 1 86 86 THR HG23 H 1 1.0547 0.0000 . 1 . . . . . 86 THR HG21 . 52723 1 108 . 1 . 1 86 86 THR CG2 C 13 21.4066 0.0000 . 1 . . . . . 86 THR CG2 . 52723 1 109 . 1 . 1 90 90 VAL HG11 H 1 0.7470 0.0000 . 1 . . . . . 90 VAL HG11 . 52723 1 110 . 1 . 1 90 90 VAL HG12 H 1 0.7470 0.0000 . 1 . . . . . 90 VAL HG11 . 52723 1 111 . 1 . 1 90 90 VAL HG13 H 1 0.7470 0.0000 . 1 . . . . . 90 VAL HG11 . 52723 1 112 . 1 . 1 90 90 VAL CG1 C 13 22.2994 0.0000 . 1 . . . . . 90 VAL CG1 . 52723 1 113 . 1 . 1 91 91 ILE HD11 H 1 0.9771 0.0000 . 1 . . . . . 91 ILE HD11 . 52723 1 114 . 1 . 1 91 91 ILE HD12 H 1 0.9771 0.0000 . 1 . . . . . 91 ILE HD11 . 52723 1 115 . 1 . 1 91 91 ILE HD13 H 1 0.9771 0.0000 . 1 . . . . . 91 ILE HD11 . 52723 1 116 . 1 . 1 91 91 ILE CD1 C 13 12.4321 0.0000 . 1 . . . . . 91 ILE CD1 . 52723 1 117 . 1 . 1 94 94 LEU HD11 H 1 -0.7288 0.0000 . 1 . . . . . 94 LEU HD11 . 52723 1 118 . 1 . 1 94 94 LEU HD12 H 1 -0.7288 0.0000 . 1 . . . . . 94 LEU HD11 . 52723 1 119 . 1 . 1 94 94 LEU HD13 H 1 -0.7288 0.0000 . 1 . . . . . 94 LEU HD11 . 52723 1 120 . 1 . 1 94 94 LEU HD21 H 1 -0.8345 0.0000 . 1 . . . . . 94 LEU HD21 . 52723 1 121 . 1 . 1 94 94 LEU HD22 H 1 -0.8345 0.0000 . 1 . . . . . 94 LEU HD21 . 52723 1 122 . 1 . 1 94 94 LEU HD23 H 1 -0.8345 0.0000 . 1 . . . . . 94 LEU HD21 . 52723 1 123 . 1 . 1 94 94 LEU CD1 C 13 23.6681 0.0000 . 1 . . . . . 94 LEU CD1 . 52723 1 124 . 1 . 1 94 94 LEU CD2 C 13 19.8706 0.0000 . 1 . . . . . 94 LEU CD2 . 52723 1 125 . 1 . 1 97 97 ILE HD11 H 1 0.5732 0.0000 . 1 . . . . . 97 ILE HD11 . 52723 1 126 . 1 . 1 97 97 ILE HD12 H 1 0.5732 0.0000 . 1 . . . . . 97 ILE HD11 . 52723 1 127 . 1 . 1 97 97 ILE HD13 H 1 0.5732 0.0000 . 1 . . . . . 97 ILE HD11 . 52723 1 128 . 1 . 1 97 97 ILE CD1 C 13 13.5168 0.0000 . 1 . . . . . 97 ILE CD1 . 52723 1 129 . 1 . 1 98 98 ALA HB1 H 1 1.3592 0.0000 . 1 . . . . . 98 ALA HB1 . 52723 1 130 . 1 . 1 98 98 ALA HB2 H 1 1.3592 0.0000 . 1 . . . . . 98 ALA HB1 . 52723 1 131 . 1 . 1 98 98 ALA HB3 H 1 1.3592 0.0000 . 1 . . . . . 98 ALA HB1 . 52723 1 132 . 1 . 1 98 98 ALA CB C 13 19.1522 0.0000 . 1 . . . . . 98 ALA CB . 52723 1 133 . 1 . 1 102 102 THR HG21 H 1 1.1895 0.0000 . 1 . . . . . 102 THR HG21 . 52723 1 134 . 1 . 1 102 102 THR HG22 H 1 1.1895 0.0000 . 1 . . . . . 102 THR HG21 . 52723 1 135 . 1 . 1 102 102 THR HG23 H 1 1.1895 0.0000 . 1 . . . . . 102 THR HG21 . 52723 1 136 . 1 . 1 102 102 THR CG2 C 13 22.5005 0.0000 . 1 . . . . . 102 THR CG2 . 52723 1 137 . 1 . 1 109 109 LEU HD11 H 1 0.6062 0.0000 . 1 . . . . . 109 LEU HD11 . 52723 1 138 . 1 . 1 109 109 LEU HD12 H 1 0.6062 0.0000 . 1 . . . . . 109 LEU HD11 . 52723 1 139 . 1 . 1 109 109 LEU HD13 H 1 0.6062 0.0000 . 1 . . . . . 109 LEU HD11 . 52723 1 140 . 1 . 1 109 109 LEU HD21 H 1 0.5902 0.0000 . 1 . . . . . 109 LEU HD21 . 52723 1 141 . 1 . 1 109 109 LEU HD22 H 1 0.5902 0.0000 . 1 . . . . . 109 LEU HD21 . 52723 1 142 . 1 . 1 109 109 LEU HD23 H 1 0.5902 0.0000 . 1 . . . . . 109 LEU HD21 . 52723 1 143 . 1 . 1 109 109 LEU CD1 C 13 25.6258 0.0000 . 1 . . . . . 109 LEU CD1 . 52723 1 144 . 1 . 1 109 109 LEU CD2 C 13 23.4894 0.0000 . 1 . . . . . 109 LEU CD2 . 52723 1 145 . 1 . 1 114 114 ALA HB1 H 1 1.3961 0.0000 . 1 . . . . . 114 ALA HB1 . 52723 1 146 . 1 . 1 114 114 ALA HB2 H 1 1.3961 0.0000 . 1 . . . . . 114 ALA HB1 . 52723 1 147 . 1 . 1 114 114 ALA HB3 H 1 1.3961 0.0000 . 1 . . . . . 114 ALA HB1 . 52723 1 148 . 1 . 1 114 114 ALA CB C 13 18.8792 0.0000 . 1 . . . . . 114 ALA CB . 52723 1 149 . 1 . 1 119 119 LEU HD11 H 1 0.8736 0.0000 . 1 . . . . . 119 LEU HD11 . 52723 1 150 . 1 . 1 119 119 LEU HD12 H 1 0.8736 0.0000 . 1 . . . . . 119 LEU HD11 . 52723 1 151 . 1 . 1 119 119 LEU HD13 H 1 0.8736 0.0000 . 1 . . . . . 119 LEU HD11 . 52723 1 152 . 1 . 1 119 119 LEU CD1 C 13 25.2348 0.0000 . 1 . . . . . 119 LEU CD1 . 52723 1 153 . 1 . 1 120 120 ILE HD11 H 1 0.7511 0.0000 . 1 . . . . . 120 ILE HD11 . 52723 1 154 . 1 . 1 120 120 ILE HD12 H 1 0.7511 0.0000 . 1 . . . . . 120 ILE HD11 . 52723 1 155 . 1 . 1 120 120 ILE HD13 H 1 0.7511 0.0000 . 1 . . . . . 120 ILE HD11 . 52723 1 156 . 1 . 1 120 120 ILE CD1 C 13 13.6153 0.0000 . 1 . . . . . 120 ILE CD1 . 52723 1 157 . 1 . 1 125 125 VAL HG21 H 1 0.8020 0.0000 . 1 . . . . . 125 VAL HG21 . 52723 1 158 . 1 . 1 125 125 VAL HG22 H 1 0.8020 0.0000 . 1 . . . . . 125 VAL HG21 . 52723 1 159 . 1 . 1 125 125 VAL HG23 H 1 0.8020 0.0000 . 1 . . . . . 125 VAL HG21 . 52723 1 160 . 1 . 1 125 125 VAL CG2 C 13 20.5873 0.0000 . 1 . . . . . 125 VAL CG2 . 52723 1 161 . 1 . 1 130 130 ALA HB1 H 1 0.8392 0.0000 . 1 . . . . . 130 ALA HB1 . 52723 1 162 . 1 . 1 130 130 ALA HB2 H 1 0.8392 0.0000 . 1 . . . . . 130 ALA HB1 . 52723 1 163 . 1 . 1 130 130 ALA HB3 H 1 0.8392 0.0000 . 1 . . . . . 130 ALA HB1 . 52723 1 164 . 1 . 1 130 130 ALA CB C 13 18.6974 0.0000 . 1 . . . . . 130 ALA CB . 52723 1 165 . 1 . 1 132 132 ILE HD11 H 1 0.7872 0.0000 . 1 . . . . . 132 ILE HD11 . 52723 1 166 . 1 . 1 132 132 ILE HD12 H 1 0.7872 0.0000 . 1 . . . . . 132 ILE HD11 . 52723 1 167 . 1 . 1 132 132 ILE HD13 H 1 0.7872 0.0000 . 1 . . . . . 132 ILE HD11 . 52723 1 168 . 1 . 1 132 132 ILE CD1 C 13 14.5037 0.0000 . 1 . . . . . 132 ILE CD1 . 52723 1 169 . 1 . 1 133 133 VAL HG11 H 1 0.5310 0.0000 . 1 . . . . . 133 VAL HG11 . 52723 1 170 . 1 . 1 133 133 VAL HG12 H 1 0.5310 0.0000 . 1 . . . . . 133 VAL HG11 . 52723 1 171 . 1 . 1 133 133 VAL HG13 H 1 0.5310 0.0000 . 1 . . . . . 133 VAL HG11 . 52723 1 172 . 1 . 1 133 133 VAL HG21 H 1 -0.4895 0.0000 . 1 . . . . . 133 VAL HG21 . 52723 1 173 . 1 . 1 133 133 VAL HG22 H 1 -0.4895 0.0000 . 1 . . . . . 133 VAL HG21 . 52723 1 174 . 1 . 1 133 133 VAL HG23 H 1 -0.4895 0.0000 . 1 . . . . . 133 VAL HG21 . 52723 1 175 . 1 . 1 133 133 VAL CG1 C 13 22.4598 0.0000 . 1 . . . . . 133 VAL CG1 . 52723 1 176 . 1 . 1 133 133 VAL CG2 C 13 16.3668 0.0000 . 1 . . . . . 133 VAL CG2 . 52723 1 177 . 1 . 1 134 134 ALA HB1 H 1 0.9318 0.0000 . 1 . . . . . 134 ALA HB1 . 52723 1 178 . 1 . 1 134 134 ALA HB2 H 1 0.9318 0.0000 . 1 . . . . . 134 ALA HB1 . 52723 1 179 . 1 . 1 134 134 ALA HB3 H 1 0.9318 0.0000 . 1 . . . . . 134 ALA HB1 . 52723 1 180 . 1 . 1 134 134 ALA CB C 13 21.8878 0.0000 . 1 . . . . . 134 ALA CB . 52723 1 181 . 1 . 1 137 137 VAL HG11 H 1 -0.1098 0.0000 . 1 . . . . . 137 VAL HG11 . 52723 1 182 . 1 . 1 137 137 VAL HG12 H 1 -0.1098 0.0000 . 1 . . . . . 137 VAL HG11 . 52723 1 183 . 1 . 1 137 137 VAL HG13 H 1 -0.1098 0.0000 . 1 . . . . . 137 VAL HG11 . 52723 1 184 . 1 . 1 137 137 VAL HG21 H 1 0.9339 0.0000 . 1 . . . . . 137 VAL HG21 . 52723 1 185 . 1 . 1 137 137 VAL HG22 H 1 0.9339 0.0000 . 1 . . . . . 137 VAL HG21 . 52723 1 186 . 1 . 1 137 137 VAL HG23 H 1 0.9339 0.0000 . 1 . . . . . 137 VAL HG21 . 52723 1 187 . 1 . 1 137 137 VAL CG1 C 13 21.8689 0.0000 . 1 . . . . . 137 VAL CG1 . 52723 1 188 . 1 . 1 137 137 VAL CG2 C 13 23.1967 0.0000 . 1 . . . . . 137 VAL CG2 . 52723 1 189 . 1 . 1 138 138 THR H H 1 0.0000 0.0000 . 1 . . . . . 138 THR H . 52723 1 190 . 1 . 1 138 138 THR HG21 H 1 1.2261 0.0000 . 1 . . . . . 138 THR HG21 . 52723 1 191 . 1 . 1 138 138 THR HG22 H 1 1.2261 0.0000 . 1 . . . . . 138 THR HG21 . 52723 1 192 . 1 . 1 138 138 THR HG23 H 1 1.2261 0.0000 . 1 . . . . . 138 THR HG21 . 52723 1 193 . 1 . 1 138 138 THR CG2 C 13 22.8556 0.0000 . 1 . . . . . 138 THR CG2 . 52723 1 194 . 1 . 1 139 139 VAL HG11 H 1 0.4469 0.0000 . 1 . . . . . 139 VAL HG11 . 52723 1 195 . 1 . 1 139 139 VAL HG12 H 1 0.4469 0.0000 . 1 . . . . . 139 VAL HG11 . 52723 1 196 . 1 . 1 139 139 VAL HG13 H 1 0.4469 0.0000 . 1 . . . . . 139 VAL HG11 . 52723 1 197 . 1 . 1 139 139 VAL HG21 H 1 0.9943 0.0000 . 1 . . . . . 139 VAL HG21 . 52723 1 198 . 1 . 1 139 139 VAL HG22 H 1 0.9943 0.0000 . 1 . . . . . 139 VAL HG21 . 52723 1 199 . 1 . 1 139 139 VAL HG23 H 1 0.9943 0.0000 . 1 . . . . . 139 VAL HG21 . 52723 1 200 . 1 . 1 139 139 VAL CG1 C 13 20.4511 0.0000 . 1 . . . . . 139 VAL CG1 . 52723 1 201 . 1 . 1 139 139 VAL CG2 C 13 22.5801 0.0000 . 1 . . . . . 139 VAL CG2 . 52723 1 202 . 1 . 1 141 141 THR HG21 H 1 1.1686 0.0000 . 1 . . . . . 141 THR HG21 . 52723 1 203 . 1 . 1 141 141 THR HG22 H 1 1.1686 0.0000 . 1 . . . . . 141 THR HG21 . 52723 1 204 . 1 . 1 141 141 THR HG23 H 1 1.1686 0.0000 . 1 . . . . . 141 THR HG21 . 52723 1 205 . 1 . 1 141 141 THR CG2 C 13 19.8664 0.0000 . 1 . . . . . 141 THR CG2 . 52723 1 206 . 1 . 1 143 143 ALA HB1 H 1 1.3462 0.0000 . 1 . . . . . 143 ALA HB1 . 52723 1 207 . 1 . 1 143 143 ALA HB2 H 1 1.3462 0.0000 . 1 . . . . . 143 ALA HB1 . 52723 1 208 . 1 . 1 143 143 ALA HB3 H 1 1.3462 0.0000 . 1 . . . . . 143 ALA HB1 . 52723 1 209 . 1 . 1 143 143 ALA CB C 13 19.3421 0.0000 . 1 . . . . . 143 ALA CB . 52723 1 210 . 1 . 1 144 144 ALA HB1 H 1 1.3590 0.0000 . 1 . . . . . 144 ALA HB1 . 52723 1 211 . 1 . 1 144 144 ALA HB2 H 1 1.3590 0.0000 . 1 . . . . . 144 ALA HB1 . 52723 1 212 . 1 . 1 144 144 ALA HB3 H 1 1.3590 0.0000 . 1 . . . . . 144 ALA HB1 . 52723 1 213 . 1 . 1 144 144 ALA CB C 13 19.8942 0.0000 . 1 . . . . . 144 ALA CB . 52723 1 214 . 1 . 1 152 152 VAL HG11 H 1 1.1409 0.0000 . 1 . . . . . 152 VAL HG11 . 52723 1 215 . 1 . 1 152 152 VAL HG12 H 1 1.1409 0.0000 . 1 . . . . . 152 VAL HG11 . 52723 1 216 . 1 . 1 152 152 VAL HG13 H 1 1.1409 0.0000 . 1 . . . . . 152 VAL HG11 . 52723 1 217 . 1 . 1 152 152 VAL HG21 H 1 0.9121 0.0000 . 1 . . . . . 152 VAL HG21 . 52723 1 218 . 1 . 1 152 152 VAL HG22 H 1 0.9121 0.0000 . 1 . . . . . 152 VAL HG21 . 52723 1 219 . 1 . 1 152 152 VAL HG23 H 1 0.9121 0.0000 . 1 . . . . . 152 VAL HG21 . 52723 1 220 . 1 . 1 152 152 VAL CG1 C 13 23.1523 0.0000 . 1 . . . . . 152 VAL CG1 . 52723 1 221 . 1 . 1 152 152 VAL CG2 C 13 20.9452 0.0000 . 1 . . . . . 152 VAL CG2 . 52723 1 222 . 1 . 1 157 157 ALA HB1 H 1 1.5833 0.0000 . 1 . . . . . 157 ALA HB1 . 52723 1 223 . 1 . 1 157 157 ALA HB2 H 1 1.5833 0.0000 . 1 . . . . . 157 ALA HB1 . 52723 1 224 . 1 . 1 157 157 ALA HB3 H 1 1.5833 0.0000 . 1 . . . . . 157 ALA HB1 . 52723 1 225 . 1 . 1 157 157 ALA CB C 13 19.7003 0.0000 . 1 . . . . . 157 ALA CB . 52723 1 226 . 1 . 1 163 163 THR HG21 H 1 1.2162 0.0000 . 1 . . . . . 163 THR HG21 . 52723 1 227 . 1 . 1 163 163 THR HG22 H 1 1.2162 0.0000 . 1 . . . . . 163 THR HG21 . 52723 1 228 . 1 . 1 163 163 THR HG23 H 1 1.2162 0.0000 . 1 . . . . . 163 THR HG21 . 52723 1 229 . 1 . 1 163 163 THR CG2 C 13 21.5082 0.0000 . 1 . . . . . 163 THR CG2 . 52723 1 230 . 1 . 1 164 164 VAL HG11 H 1 1.2218 0.0000 . 1 . . . . . 164 VAL HG11 . 52723 1 231 . 1 . 1 164 164 VAL HG12 H 1 1.2218 0.0000 . 1 . . . . . 164 VAL HG11 . 52723 1 232 . 1 . 1 164 164 VAL HG13 H 1 1.2218 0.0000 . 1 . . . . . 164 VAL HG11 . 52723 1 233 . 1 . 1 164 164 VAL CG1 C 13 20.9913 0.0000 . 1 . . . . . 164 VAL CG1 . 52723 1 234 . 1 . 1 165 165 ALA HB1 H 1 1.3861 0.0000 . 1 . . . . . 165 ALA HB1 . 52723 1 235 . 1 . 1 165 165 ALA HB2 H 1 1.3861 0.0000 . 1 . . . . . 165 ALA HB1 . 52723 1 236 . 1 . 1 165 165 ALA HB3 H 1 1.3861 0.0000 . 1 . . . . . 165 ALA HB1 . 52723 1 237 . 1 . 1 165 165 ALA CB C 13 23.5565 0.0000 . 1 . . . . . 165 ALA CB . 52723 1 238 . 1 . 1 167 167 ILE HD11 H 1 0.9237 0.0000 . 1 . . . . . 167 ILE HD11 . 52723 1 239 . 1 . 1 167 167 ILE HD12 H 1 0.9237 0.0000 . 1 . . . . . 167 ILE HD11 . 52723 1 240 . 1 . 1 167 167 ILE HD13 H 1 0.9237 0.0000 . 1 . . . . . 167 ILE HD11 . 52723 1 241 . 1 . 1 167 167 ILE CD1 C 13 14.4103 0.0000 . 1 . . . . . 167 ILE CD1 . 52723 1 242 . 1 . 1 176 176 ILE HD11 H 1 0.8404 0.0000 . 1 . . . . . 176 ILE HD11 . 52723 1 243 . 1 . 1 176 176 ILE HD12 H 1 0.8404 0.0000 . 1 . . . . . 176 ILE HD11 . 52723 1 244 . 1 . 1 176 176 ILE HD13 H 1 0.8404 0.0000 . 1 . . . . . 176 ILE HD11 . 52723 1 245 . 1 . 1 176 176 ILE CD1 C 13 14.7810 0.0000 . 1 . . . . . 176 ILE CD1 . 52723 1 246 . 1 . 1 178 178 LEU HD11 H 1 0.4736 0.0000 . 1 . . . . . 178 LEU HD11 . 52723 1 247 . 1 . 1 178 178 LEU HD12 H 1 0.4736 0.0000 . 1 . . . . . 178 LEU HD11 . 52723 1 248 . 1 . 1 178 178 LEU HD13 H 1 0.4736 0.0000 . 1 . . . . . 178 LEU HD11 . 52723 1 249 . 1 . 1 178 178 LEU CD1 C 13 27.9877 0.0000 . 1 . . . . . 178 LEU CD1 . 52723 1 250 . 1 . 1 180 180 LEU HD11 H 1 0.8013 0.0000 . 1 . . . . . 180 LEU HD11 . 52723 1 251 . 1 . 1 180 180 LEU HD12 H 1 0.8013 0.0000 . 1 . . . . . 180 LEU HD11 . 52723 1 252 . 1 . 1 180 180 LEU HD13 H 1 0.8013 0.0000 . 1 . . . . . 180 LEU HD11 . 52723 1 253 . 1 . 1 180 180 LEU HD21 H 1 0.6493 0.0000 . 1 . . . . . 180 LEU HD21 . 52723 1 254 . 1 . 1 180 180 LEU HD22 H 1 0.6493 0.0000 . 1 . . . . . 180 LEU HD21 . 52723 1 255 . 1 . 1 180 180 LEU HD23 H 1 0.6493 0.0000 . 1 . . . . . 180 LEU HD21 . 52723 1 256 . 1 . 1 180 180 LEU CD1 C 13 26.4682 0.0000 . 1 . . . . . 180 LEU CD1 . 52723 1 257 . 1 . 1 180 180 LEU CD2 C 13 22.4163 0.0000 . 1 . . . . . 180 LEU CD2 . 52723 1 258 . 1 . 1 193 193 VAL HG11 H 1 0.6739 0.0000 . 1 . . . . . 193 VAL HG11 . 52723 1 259 . 1 . 1 193 193 VAL HG12 H 1 0.6739 0.0000 . 1 . . . . . 193 VAL HG11 . 52723 1 260 . 1 . 1 193 193 VAL HG13 H 1 0.6739 0.0000 . 1 . . . . . 193 VAL HG11 . 52723 1 261 . 1 . 1 193 193 VAL HG21 H 1 1.2108 0.0000 . 1 . . . . . 193 VAL HG21 . 52723 1 262 . 1 . 1 193 193 VAL HG22 H 1 1.2108 0.0000 . 1 . . . . . 193 VAL HG21 . 52723 1 263 . 1 . 1 193 193 VAL HG23 H 1 1.2108 0.0000 . 1 . . . . . 193 VAL HG21 . 52723 1 264 . 1 . 1 193 193 VAL CG1 C 13 21.6692 0.0000 . 1 . . . . . 193 VAL CG1 . 52723 1 265 . 1 . 1 193 193 VAL CG2 C 13 24.3251 0.0000 . 1 . . . . . 193 VAL CG2 . 52723 1 266 . 1 . 1 196 196 ILE HD11 H 1 0.9232 0.0000 . 1 . . . . . 196 ILE HD11 . 52723 1 267 . 1 . 1 196 196 ILE HD12 H 1 0.9232 0.0000 . 1 . . . . . 196 ILE HD11 . 52723 1 268 . 1 . 1 196 196 ILE HD13 H 1 0.9232 0.0000 . 1 . . . . . 196 ILE HD11 . 52723 1 269 . 1 . 1 196 196 ILE CD1 C 13 14.9658 0.0000 . 1 . . . . . 196 ILE CD1 . 52723 1 270 . 1 . 1 197 197 ILE HD11 H 1 0.7146 0.0000 . 1 . . . . . 197 ILE HD11 . 52723 1 271 . 1 . 1 197 197 ILE HD12 H 1 0.7146 0.0000 . 1 . . . . . 197 ILE HD11 . 52723 1 272 . 1 . 1 197 197 ILE HD13 H 1 0.7146 0.0000 . 1 . . . . . 197 ILE HD11 . 52723 1 273 . 1 . 1 197 197 ILE CD1 C 13 14.3558 0.0000 . 1 . . . . . 197 ILE CD1 . 52723 1 274 . 1 . 1 204 204 ILE HD11 H 1 0.7319 0.0000 . 1 . . . . . 204 ILE HD11 . 52723 1 275 . 1 . 1 204 204 ILE HD12 H 1 0.7319 0.0000 . 1 . . . . . 204 ILE HD11 . 52723 1 276 . 1 . 1 204 204 ILE HD13 H 1 0.7319 0.0000 . 1 . . . . . 204 ILE HD11 . 52723 1 277 . 1 . 1 204 204 ILE CD1 C 13 12.7724 0.0000 . 1 . . . . . 204 ILE CD1 . 52723 1 278 . 1 . 1 205 205 ALA HB1 H 1 1.4269 0.0000 . 1 . . . . . 205 ALA HB1 . 52723 1 279 . 1 . 1 205 205 ALA HB2 H 1 1.4269 0.0000 . 1 . . . . . 205 ALA HB1 . 52723 1 280 . 1 . 1 205 205 ALA HB3 H 1 1.4269 0.0000 . 1 . . . . . 205 ALA HB1 . 52723 1 281 . 1 . 1 205 205 ALA CB C 13 19.3116 0.0000 . 1 . . . . . 205 ALA CB . 52723 1 282 . 1 . 1 206 206 LEU HD11 H 1 0.7052 0.0000 . 1 . . . . . 206 LEU HD11 . 52723 1 283 . 1 . 1 206 206 LEU HD12 H 1 0.7052 0.0000 . 1 . . . . . 206 LEU HD11 . 52723 1 284 . 1 . 1 206 206 LEU HD13 H 1 0.7052 0.0000 . 1 . . . . . 206 LEU HD11 . 52723 1 285 . 1 . 1 206 206 LEU HD21 H 1 0.7032 0.0000 . 1 . . . . . 206 LEU HD21 . 52723 1 286 . 1 . 1 206 206 LEU HD22 H 1 0.7032 0.0000 . 1 . . . . . 206 LEU HD21 . 52723 1 287 . 1 . 1 206 206 LEU HD23 H 1 0.7032 0.0000 . 1 . . . . . 206 LEU HD21 . 52723 1 288 . 1 . 1 206 206 LEU CD1 C 13 25.3173 0.0000 . 1 . . . . . 206 LEU CD1 . 52723 1 289 . 1 . 1 206 206 LEU CD2 C 13 25.0358 0.0000 . 1 . . . . . 206 LEU CD2 . 52723 1 290 . 1 . 1 208 208 VAL HG11 H 1 0.7636 0.0000 . 1 . . . . . 208 VAL HG11 . 52723 1 291 . 1 . 1 208 208 VAL HG12 H 1 0.7636 0.0000 . 1 . . . . . 208 VAL HG11 . 52723 1 292 . 1 . 1 208 208 VAL HG13 H 1 0.7636 0.0000 . 1 . . . . . 208 VAL HG11 . 52723 1 293 . 1 . 1 208 208 VAL HG21 H 1 0.7391 0.0000 . 1 . . . . . 208 VAL HG21 . 52723 1 294 . 1 . 1 208 208 VAL HG22 H 1 0.7391 0.0000 . 1 . . . . . 208 VAL HG21 . 52723 1 295 . 1 . 1 208 208 VAL HG23 H 1 0.7391 0.0000 . 1 . . . . . 208 VAL HG21 . 52723 1 296 . 1 . 1 208 208 VAL CG1 C 13 20.1281 0.0000 . 1 . . . . . 208 VAL CG1 . 52723 1 297 . 1 . 1 208 208 VAL CG2 C 13 21.6186 0.0000 . 1 . . . . . 208 VAL CG2 . 52723 1 298 . 1 . 1 210 210 ILE HD11 H 1 0.7803 0.0000 . 1 . . . . . 210 ILE HD11 . 52723 1 299 . 1 . 1 210 210 ILE HD12 H 1 0.7803 0.0000 . 1 . . . . . 210 ILE HD11 . 52723 1 300 . 1 . 1 210 210 ILE HD13 H 1 0.7803 0.0000 . 1 . . . . . 210 ILE HD11 . 52723 1 301 . 1 . 1 210 210 ILE CD1 C 13 13.7364 0.0000 . 1 . . . . . 210 ILE CD1 . 52723 1 302 . 1 . 1 222 222 ILE HD11 H 1 1.1308 0.0000 . 1 . . . . . 222 ILE HD11 . 52723 1 303 . 1 . 1 222 222 ILE HD12 H 1 1.1308 0.0000 . 1 . . . . . 222 ILE HD11 . 52723 1 304 . 1 . 1 222 222 ILE HD13 H 1 1.1308 0.0000 . 1 . . . . . 222 ILE HD11 . 52723 1 305 . 1 . 1 222 222 ILE CD1 C 13 16.9690 0.0000 . 1 . . . . . 222 ILE CD1 . 52723 1 306 . 1 . 1 227 227 ILE HD11 H 1 0.5955 0.0000 . 1 . . . . . 227 ILE HD11 . 52723 1 307 . 1 . 1 227 227 ILE HD12 H 1 0.5955 0.0000 . 1 . . . . . 227 ILE HD11 . 52723 1 308 . 1 . 1 227 227 ILE HD13 H 1 0.5955 0.0000 . 1 . . . . . 227 ILE HD11 . 52723 1 309 . 1 . 1 227 227 ILE CD1 C 13 10.7494 0.0000 . 1 . . . . . 227 ILE CD1 . 52723 1 310 . 1 . 1 230 230 ALA HB1 H 1 1.2978 0.0000 . 1 . . . . . 230 ALA HB1 . 52723 1 311 . 1 . 1 230 230 ALA HB2 H 1 1.2978 0.0000 . 1 . . . . . 230 ALA HB1 . 52723 1 312 . 1 . 1 230 230 ALA HB3 H 1 1.2978 0.0000 . 1 . . . . . 230 ALA HB1 . 52723 1 313 . 1 . 1 230 230 ALA CB C 13 18.9411 0.0000 . 1 . . . . . 230 ALA CB . 52723 1 314 . 1 . 1 232 232 ALA HB1 H 1 -0.1775 0.0000 . 1 . . . . . 232 ALA HB1 . 52723 1 315 . 1 . 1 232 232 ALA HB2 H 1 -0.1775 0.0000 . 1 . . . . . 232 ALA HB1 . 52723 1 316 . 1 . 1 232 232 ALA HB3 H 1 -0.1775 0.0000 . 1 . . . . . 232 ALA HB1 . 52723 1 317 . 1 . 1 232 232 ALA CB C 13 16.2222 0.0000 . 1 . . . . . 232 ALA CB . 52723 1 318 . 1 . 1 233 233 LEU HD11 H 1 0.1181 0.0000 . 1 . . . . . 233 LEU HD11 . 52723 1 319 . 1 . 1 233 233 LEU HD12 H 1 0.1181 0.0000 . 1 . . . . . 233 LEU HD11 . 52723 1 320 . 1 . 1 233 233 LEU HD13 H 1 0.1181 0.0000 . 1 . . . . . 233 LEU HD11 . 52723 1 321 . 1 . 1 233 233 LEU HD21 H 1 0.3964 0.0000 . 1 . . . . . 233 LEU HD21 . 52723 1 322 . 1 . 1 233 233 LEU HD22 H 1 0.3964 0.0000 . 1 . . . . . 233 LEU HD21 . 52723 1 323 . 1 . 1 233 233 LEU HD23 H 1 0.3964 0.0000 . 1 . . . . . 233 LEU HD21 . 52723 1 324 . 1 . 1 233 233 LEU CD1 C 13 25.2441 0.0000 . 1 . . . . . 233 LEU CD1 . 52723 1 325 . 1 . 1 233 233 LEU CD2 C 13 26.2317 0.0000 . 1 . . . . . 233 LEU CD2 . 52723 1 326 . 1 . 1 235 235 THR HG21 H 1 0.3840 0.0000 . 1 . . . . . 235 THR HG21 . 52723 1 327 . 1 . 1 235 235 THR HG22 H 1 0.3840 0.0000 . 1 . . . . . 235 THR HG21 . 52723 1 328 . 1 . 1 235 235 THR HG23 H 1 0.3840 0.0000 . 1 . . . . . 235 THR HG21 . 52723 1 329 . 1 . 1 235 235 THR CG2 C 13 21.2563 0.0000 . 1 . . . . . 235 THR CG2 . 52723 1 330 . 1 . 1 241 241 ILE HD11 H 1 0.6692 0.0000 . 1 . . . . . 241 ILE HD11 . 52723 1 331 . 1 . 1 241 241 ILE HD12 H 1 0.6692 0.0000 . 1 . . . . . 241 ILE HD11 . 52723 1 332 . 1 . 1 241 241 ILE HD13 H 1 0.6692 0.0000 . 1 . . . . . 241 ILE HD11 . 52723 1 333 . 1 . 1 241 241 ILE CD1 C 13 14.1247 0.0000 . 1 . . . . . 241 ILE CD1 . 52723 1 334 . 1 . 1 242 242 THR HG21 H 1 1.3599 0.0000 . 1 . . . . . 242 THR HG21 . 52723 1 335 . 1 . 1 242 242 THR HG22 H 1 1.3599 0.0000 . 1 . . . . . 242 THR HG21 . 52723 1 336 . 1 . 1 242 242 THR HG23 H 1 1.3599 0.0000 . 1 . . . . . 242 THR HG21 . 52723 1 337 . 1 . 1 242 242 THR CG2 C 13 22.0527 0.0000 . 1 . . . . . 242 THR CG2 . 52723 1 338 . 1 . 1 253 253 ILE HD11 H 1 0.7322 0.0000 . 1 . . . . . 253 ILE HD11 . 52723 1 339 . 1 . 1 253 253 ILE HD12 H 1 0.7322 0.0000 . 1 . . . . . 253 ILE HD11 . 52723 1 340 . 1 . 1 253 253 ILE HD13 H 1 0.7322 0.0000 . 1 . . . . . 253 ILE HD11 . 52723 1 341 . 1 . 1 253 253 ILE CD1 C 13 14.4587 0.0000 . 1 . . . . . 253 ILE CD1 . 52723 1 342 . 1 . 1 254 254 ALA HB1 H 1 0.6597 0.0000 . 1 . . . . . 254 ALA HB1 . 52723 1 343 . 1 . 1 254 254 ALA HB2 H 1 0.6597 0.0000 . 1 . . . . . 254 ALA HB1 . 52723 1 344 . 1 . 1 254 254 ALA HB3 H 1 0.6597 0.0000 . 1 . . . . . 254 ALA HB1 . 52723 1 345 . 1 . 1 254 254 ALA CB C 13 19.7296 0.0000 . 1 . . . . . 254 ALA CB . 52723 1 346 . 1 . 1 261 261 LEU HD11 H 1 1.0279 0.0000 . 1 . . . . . 261 LEU HD11 . 52723 1 347 . 1 . 1 261 261 LEU HD12 H 1 1.0279 0.0000 . 1 . . . . . 261 LEU HD11 . 52723 1 348 . 1 . 1 261 261 LEU HD13 H 1 1.0279 0.0000 . 1 . . . . . 261 LEU HD11 . 52723 1 349 . 1 . 1 261 261 LEU HD21 H 1 0.9410 0.0000 . 1 . . . . . 261 LEU HD21 . 52723 1 350 . 1 . 1 261 261 LEU HD22 H 1 0.9410 0.0000 . 1 . . . . . 261 LEU HD21 . 52723 1 351 . 1 . 1 261 261 LEU HD23 H 1 0.9410 0.0000 . 1 . . . . . 261 LEU HD21 . 52723 1 352 . 1 . 1 261 261 LEU CD1 C 13 25.1819 0.0000 . 1 . . . . . 261 LEU CD1 . 52723 1 353 . 1 . 1 261 261 LEU CD2 C 13 24.5702 0.0000 . 1 . . . . . 261 LEU CD2 . 52723 1 354 . 1 . 1 262 262 THR HG21 H 1 0.8702 0.0000 . 1 . . . . . 262 THR HG21 . 52723 1 355 . 1 . 1 262 262 THR HG22 H 1 0.8702 0.0000 . 1 . . . . . 262 THR HG21 . 52723 1 356 . 1 . 1 262 262 THR HG23 H 1 0.8702 0.0000 . 1 . . . . . 262 THR HG21 . 52723 1 357 . 1 . 1 262 262 THR CG2 C 13 18.6198 0.0000 . 1 . . . . . 262 THR CG2 . 52723 1 358 . 1 . 1 268 268 VAL HG21 H 1 0.4739 0.0000 . 1 . . . . . 268 VAL HG21 . 52723 1 359 . 1 . 1 268 268 VAL HG22 H 1 0.4739 0.0000 . 1 . . . . . 268 VAL HG21 . 52723 1 360 . 1 . 1 268 268 VAL HG23 H 1 0.4739 0.0000 . 1 . . . . . 268 VAL HG21 . 52723 1 361 . 1 . 1 268 268 VAL CG2 C 13 21.3511 0.0000 . 1 . . . . . 268 VAL CG2 . 52723 1 362 . 1 . 1 275 275 THR HG21 H 1 1.5590 0.0000 . 1 . . . . . 275 THR HG21 . 52723 1 363 . 1 . 1 275 275 THR HG22 H 1 1.5590 0.0000 . 1 . . . . . 275 THR HG21 . 52723 1 364 . 1 . 1 275 275 THR HG23 H 1 1.5590 0.0000 . 1 . . . . . 275 THR HG21 . 52723 1 365 . 1 . 1 275 275 THR CG2 C 13 21.5276 0.0000 . 1 . . . . . 275 THR CG2 . 52723 1 366 . 1 . 1 277 277 LEU HD11 H 1 0.8108 0.0000 . 1 . . . . . 277 LEU HD11 . 52723 1 367 . 1 . 1 277 277 LEU HD12 H 1 0.8108 0.0000 . 1 . . . . . 277 LEU HD11 . 52723 1 368 . 1 . 1 277 277 LEU HD13 H 1 0.8108 0.0000 . 1 . . . . . 277 LEU HD11 . 52723 1 369 . 1 . 1 277 277 LEU CD1 C 13 26.9675 0.0000 . 1 . . . . . 277 LEU CD1 . 52723 1 370 . 1 . 1 278 278 LEU HD21 H 1 1.0504 0.0000 . 1 . . . . . 278 LEU HD21 . 52723 1 371 . 1 . 1 278 278 LEU HD22 H 1 1.0504 0.0000 . 1 . . . . . 278 LEU HD21 . 52723 1 372 . 1 . 1 278 278 LEU HD23 H 1 1.0504 0.0000 . 1 . . . . . 278 LEU HD21 . 52723 1 373 . 1 . 1 278 278 LEU CD2 C 13 24.5183 0.0000 . 1 . . . . . 278 LEU CD2 . 52723 1 374 . 1 . 1 280 280 ILE HD11 H 1 0.8068 0.0000 . 1 . . . . . 280 ILE HD11 . 52723 1 375 . 1 . 1 280 280 ILE HD12 H 1 0.8068 0.0000 . 1 . . . . . 280 ILE HD11 . 52723 1 376 . 1 . 1 280 280 ILE HD13 H 1 0.8068 0.0000 . 1 . . . . . 280 ILE HD11 . 52723 1 377 . 1 . 1 280 280 ILE CD1 C 13 11.0608 0.0000 . 1 . . . . . 280 ILE CD1 . 52723 1 378 . 1 . 1 284 284 ALA HB1 H 1 1.0543 0.0000 . 1 . . . . . 284 ALA HB1 . 52723 1 379 . 1 . 1 284 284 ALA HB2 H 1 1.0543 0.0000 . 1 . . . . . 284 ALA HB1 . 52723 1 380 . 1 . 1 284 284 ALA HB3 H 1 1.0543 0.0000 . 1 . . . . . 284 ALA HB1 . 52723 1 381 . 1 . 1 284 284 ALA CB C 13 17.9038 0.0000 . 1 . . . . . 284 ALA CB . 52723 1 382 . 1 . 1 288 288 MET HE1 H 1 1.5961 0.0000 . 1 . . . . . 288 MET HE1 . 52723 1 383 . 1 . 1 288 288 MET HE2 H 1 1.5961 0.0000 . 1 . . . . . 288 MET HE1 . 52723 1 384 . 1 . 1 288 288 MET HE3 H 1 1.5961 0.0000 . 1 . . . . . 288 MET HE1 . 52723 1 385 . 1 . 1 288 288 MET CE C 13 17.6944 0.0000 . 1 . . . . . 288 MET CE . 52723 1 386 . 1 . 1 299 299 LEU HD11 H 1 0.7455 0.0000 . 1 . . . . . 299 LEU HD11 . 52723 1 387 . 1 . 1 299 299 LEU HD12 H 1 0.7455 0.0000 . 1 . . . . . 299 LEU HD11 . 52723 1 388 . 1 . 1 299 299 LEU HD13 H 1 0.7455 0.0000 . 1 . . . . . 299 LEU HD11 . 52723 1 389 . 1 . 1 299 299 LEU HD21 H 1 0.7320 0.0000 . 1 . . . . . 299 LEU HD21 . 52723 1 390 . 1 . 1 299 299 LEU HD22 H 1 0.7320 0.0000 . 1 . . . . . 299 LEU HD21 . 52723 1 391 . 1 . 1 299 299 LEU HD23 H 1 0.7320 0.0000 . 1 . . . . . 299 LEU HD21 . 52723 1 392 . 1 . 1 299 299 LEU CD1 C 13 26.6352 0.0000 . 1 . . . . . 299 LEU CD1 . 52723 1 393 . 1 . 1 299 299 LEU CD2 C 13 25.8752 0.0000 . 1 . . . . . 299 LEU CD2 . 52723 1 394 . 1 . 1 301 301 VAL HG11 H 1 0.9195 0.0000 . 1 . . . . . 301 VAL HG11 . 52723 1 395 . 1 . 1 301 301 VAL HG12 H 1 0.9195 0.0000 . 1 . . . . . 301 VAL HG11 . 52723 1 396 . 1 . 1 301 301 VAL HG13 H 1 0.9195 0.0000 . 1 . . . . . 301 VAL HG11 . 52723 1 397 . 1 . 1 301 301 VAL HG21 H 1 0.8883 0.0000 . 1 . . . . . 301 VAL HG21 . 52723 1 398 . 1 . 1 301 301 VAL HG22 H 1 0.8883 0.0000 . 1 . . . . . 301 VAL HG21 . 52723 1 399 . 1 . 1 301 301 VAL HG23 H 1 0.8883 0.0000 . 1 . . . . . 301 VAL HG21 . 52723 1 400 . 1 . 1 301 301 VAL CG1 C 13 21.8458 0.0000 . 1 . . . . . 301 VAL CG1 . 52723 1 401 . 1 . 1 301 301 VAL CG2 C 13 22.6096 0.0000 . 1 . . . . . 301 VAL CG2 . 52723 1 402 . 1 . 1 304 304 VAL HG11 H 1 1.0695 0.0000 . 1 . . . . . 304 VAL HG11 . 52723 1 403 . 1 . 1 304 304 VAL HG12 H 1 1.0695 0.0000 . 1 . . . . . 304 VAL HG11 . 52723 1 404 . 1 . 1 304 304 VAL HG13 H 1 1.0695 0.0000 . 1 . . . . . 304 VAL HG11 . 52723 1 405 . 1 . 1 304 304 VAL CG1 C 13 22.0237 0.0000 . 1 . . . . . 304 VAL CG1 . 52723 1 406 . 1 . 1 306 306 ILE HD11 H 1 0.7059 0.0000 . 1 . . . . . 306 ILE HD11 . 52723 1 407 . 1 . 1 306 306 ILE HD12 H 1 0.7059 0.0000 . 1 . . . . . 306 ILE HD11 . 52723 1 408 . 1 . 1 306 306 ILE HD13 H 1 0.7059 0.0000 . 1 . . . . . 306 ILE HD11 . 52723 1 409 . 1 . 1 306 306 ILE CD1 C 13 9.1561 0.0000 . 1 . . . . . 306 ILE CD1 . 52723 1 410 . 1 . 1 307 307 MET HE1 H 1 1.8582 0.0000 . 1 . . . . . 307 MET HE1 . 52723 1 411 . 1 . 1 307 307 MET HE2 H 1 1.8582 0.0000 . 1 . . . . . 307 MET HE1 . 52723 1 412 . 1 . 1 307 307 MET HE3 H 1 1.8582 0.0000 . 1 . . . . . 307 MET HE1 . 52723 1 413 . 1 . 1 307 307 MET CE C 13 17.0244 0.0000 . 1 . . . . . 307 MET CE . 52723 1 414 . 1 . 1 310 310 ALA HB1 H 1 1.3636 0.0000 . 1 . . . . . 310 ALA HB1 . 52723 1 415 . 1 . 1 310 310 ALA HB2 H 1 1.3636 0.0000 . 1 . . . . . 310 ALA HB1 . 52723 1 416 . 1 . 1 310 310 ALA HB3 H 1 1.3636 0.0000 . 1 . . . . . 310 ALA HB1 . 52723 1 417 . 1 . 1 310 310 ALA CB C 13 17.7166 0.0000 . 1 . . . . . 310 ALA CB . 52723 1 418 . 1 . 1 314 314 MET HE1 H 1 1.9308 0.0000 . 1 . . . . . 314 MET HE1 . 52723 1 419 . 1 . 1 314 314 MET HE2 H 1 1.9308 0.0000 . 1 . . . . . 314 MET HE1 . 52723 1 420 . 1 . 1 314 314 MET HE3 H 1 1.9308 0.0000 . 1 . . . . . 314 MET HE1 . 52723 1 421 . 1 . 1 314 314 MET CE C 13 19.4258 0.0000 . 1 . . . . . 314 MET CE . 52723 1 422 . 1 . 1 318 318 LEU HD11 H 1 1.4039 0.0000 . 1 . . . . . 318 LEU HD11 . 52723 1 423 . 1 . 1 318 318 LEU HD12 H 1 1.4039 0.0000 . 1 . . . . . 318 LEU HD11 . 52723 1 424 . 1 . 1 318 318 LEU HD13 H 1 1.4039 0.0000 . 1 . . . . . 318 LEU HD11 . 52723 1 425 . 1 . 1 318 318 LEU HD21 H 1 1.4161 0.0000 . 1 . . . . . 318 LEU HD21 . 52723 1 426 . 1 . 1 318 318 LEU HD22 H 1 1.4161 0.0000 . 1 . . . . . 318 LEU HD21 . 52723 1 427 . 1 . 1 318 318 LEU HD23 H 1 1.4161 0.0000 . 1 . . . . . 318 LEU HD21 . 52723 1 428 . 1 . 1 318 318 LEU CD1 C 13 26.4586 0.0000 . 1 . . . . . 318 LEU CD1 . 52723 1 429 . 1 . 1 318 318 LEU CD2 C 13 25.5522 0.0000 . 1 . . . . . 318 LEU CD2 . 52723 1 430 . 1 . 1 324 324 LEU HD11 H 1 -0.2581 0.0000 . 1 . . . . . 324 LEU HD11 . 52723 1 431 . 1 . 1 324 324 LEU HD12 H 1 -0.2581 0.0000 . 1 . . . . . 324 LEU HD11 . 52723 1 432 . 1 . 1 324 324 LEU HD13 H 1 -0.2581 0.0000 . 1 . . . . . 324 LEU HD11 . 52723 1 433 . 1 . 1 324 324 LEU HD21 H 1 0.0966 0.0000 . 1 . . . . . 324 LEU HD21 . 52723 1 434 . 1 . 1 324 324 LEU HD22 H 1 0.0966 0.0000 . 1 . . . . . 324 LEU HD21 . 52723 1 435 . 1 . 1 324 324 LEU HD23 H 1 0.0966 0.0000 . 1 . . . . . 324 LEU HD21 . 52723 1 436 . 1 . 1 324 324 LEU CD1 C 13 24.8893 0.0000 . 1 . . . . . 324 LEU CD1 . 52723 1 437 . 1 . 1 324 324 LEU CD2 C 13 27.1481 0.0000 . 1 . . . . . 324 LEU CD2 . 52723 1 438 . 1 . 1 325 325 ILE HD11 H 1 0.4186 0.0000 . 1 . . . . . 325 ILE HD11 . 52723 1 439 . 1 . 1 325 325 ILE HD12 H 1 0.4186 0.0000 . 1 . . . . . 325 ILE HD11 . 52723 1 440 . 1 . 1 325 325 ILE HD13 H 1 0.4186 0.0000 . 1 . . . . . 325 ILE HD11 . 52723 1 441 . 1 . 1 325 325 ILE CD1 C 13 14.5923 0.0000 . 1 . . . . . 325 ILE CD1 . 52723 1 442 . 1 . 1 330 330 LEU HD11 H 1 0.9511 0.0000 . 1 . . . . . 330 LEU HD11 . 52723 1 443 . 1 . 1 330 330 LEU HD12 H 1 0.9511 0.0000 . 1 . . . . . 330 LEU HD11 . 52723 1 444 . 1 . 1 330 330 LEU HD13 H 1 0.9511 0.0000 . 1 . . . . . 330 LEU HD11 . 52723 1 445 . 1 . 1 330 330 LEU CD1 C 13 26.1343 0.0000 . 1 . . . . . 330 LEU CD1 . 52723 1 446 . 1 . 1 332 332 LEU HD11 H 1 0.8682 0.0000 . 1 . . . . . 332 LEU HD11 . 52723 1 447 . 1 . 1 332 332 LEU HD12 H 1 0.8682 0.0000 . 1 . . . . . 332 LEU HD11 . 52723 1 448 . 1 . 1 332 332 LEU HD13 H 1 0.8682 0.0000 . 1 . . . . . 332 LEU HD11 . 52723 1 449 . 1 . 1 332 332 LEU HD21 H 1 0.9092 0.0000 . 1 . . . . . 332 LEU HD21 . 52723 1 450 . 1 . 1 332 332 LEU HD22 H 1 0.9092 0.0000 . 1 . . . . . 332 LEU HD21 . 52723 1 451 . 1 . 1 332 332 LEU HD23 H 1 0.9092 0.0000 . 1 . . . . . 332 LEU HD21 . 52723 1 452 . 1 . 1 332 332 LEU CD1 C 13 24.1536 0.0000 . 1 . . . . . 332 LEU CD1 . 52723 1 453 . 1 . 1 332 332 LEU CD2 C 13 25.0447 0.0000 . 1 . . . . . 332 LEU CD2 . 52723 1 454 . 1 . 1 334 334 VAL HG21 H 1 0.9184 0.0000 . 1 . . . . . 334 VAL HG21 . 52723 1 455 . 1 . 1 334 334 VAL HG22 H 1 0.9184 0.0000 . 1 . . . . . 334 VAL HG21 . 52723 1 456 . 1 . 1 334 334 VAL HG23 H 1 0.9184 0.0000 . 1 . . . . . 334 VAL HG21 . 52723 1 457 . 1 . 1 334 334 VAL CG2 C 13 20.6981 0.0000 . 1 . . . . . 334 VAL CG2 . 52723 1 458 . 1 . 1 338 338 ILE HD11 H 1 0.8833 0.0000 . 1 . . . . . 338 ILE HD11 . 52723 1 459 . 1 . 1 338 338 ILE HD12 H 1 0.8833 0.0000 . 1 . . . . . 338 ILE HD11 . 52723 1 460 . 1 . 1 338 338 ILE HD13 H 1 0.8833 0.0000 . 1 . . . . . 338 ILE HD11 . 52723 1 461 . 1 . 1 338 338 ILE CD1 C 13 12.8135 0.0000 . 1 . . . . . 338 ILE CD1 . 52723 1 462 . 1 . 1 339 339 LEU HD11 H 1 0.7474 0.0000 . 1 . . . . . 339 LEU HD11 . 52723 1 463 . 1 . 1 339 339 LEU HD12 H 1 0.7474 0.0000 . 1 . . . . . 339 LEU HD11 . 52723 1 464 . 1 . 1 339 339 LEU HD13 H 1 0.7474 0.0000 . 1 . . . . . 339 LEU HD11 . 52723 1 465 . 1 . 1 339 339 LEU HD21 H 1 0.7174 0.0000 . 1 . . . . . 339 LEU HD21 . 52723 1 466 . 1 . 1 339 339 LEU HD22 H 1 0.7174 0.0000 . 1 . . . . . 339 LEU HD21 . 52723 1 467 . 1 . 1 339 339 LEU HD23 H 1 0.7174 0.0000 . 1 . . . . . 339 LEU HD21 . 52723 1 468 . 1 . 1 339 339 LEU CD1 C 13 24.3092 0.0000 . 1 . . . . . 339 LEU CD1 . 52723 1 469 . 1 . 1 339 339 LEU CD2 C 13 22.6557 0.0000 . 1 . . . . . 339 LEU CD2 . 52723 1 470 . 1 . 1 343 343 THR HG21 H 1 1.3156 0.0000 . 1 . . . . . 343 THR HG21 . 52723 1 471 . 1 . 1 343 343 THR HG22 H 1 1.3156 0.0000 . 1 . . . . . 343 THR HG21 . 52723 1 472 . 1 . 1 343 343 THR HG23 H 1 1.3156 0.0000 . 1 . . . . . 343 THR HG21 . 52723 1 473 . 1 . 1 343 343 THR CG2 C 13 22.1816 0.0000 . 1 . . . . . 343 THR CG2 . 52723 1 474 . 1 . 1 344 344 VAL HG21 H 1 1.0389 0.0000 . 1 . . . . . 344 VAL HG21 . 52723 1 475 . 1 . 1 344 344 VAL HG22 H 1 1.0389 0.0000 . 1 . . . . . 344 VAL HG21 . 52723 1 476 . 1 . 1 344 344 VAL HG23 H 1 1.0389 0.0000 . 1 . . . . . 344 VAL HG21 . 52723 1 477 . 1 . 1 344 344 VAL CG2 C 13 22.3302 0.0000 . 1 . . . . . 344 VAL CG2 . 52723 1 478 . 1 . 1 348 348 LEU HD11 H 1 0.2124 0.0000 . 1 . . . . . 348 LEU HD11 . 52723 1 479 . 1 . 1 348 348 LEU HD12 H 1 0.2124 0.0000 . 1 . . . . . 348 LEU HD11 . 52723 1 480 . 1 . 1 348 348 LEU HD13 H 1 0.2124 0.0000 . 1 . . . . . 348 LEU HD11 . 52723 1 481 . 1 . 1 348 348 LEU HD21 H 1 0.6019 0.0000 . 1 . . . . . 348 LEU HD21 . 52723 1 482 . 1 . 1 348 348 LEU HD22 H 1 0.6019 0.0000 . 1 . . . . . 348 LEU HD21 . 52723 1 483 . 1 . 1 348 348 LEU HD23 H 1 0.6019 0.0000 . 1 . . . . . 348 LEU HD21 . 52723 1 484 . 1 . 1 348 348 LEU CD1 C 13 23.0694 0.0000 . 1 . . . . . 348 LEU CD1 . 52723 1 485 . 1 . 1 348 348 LEU CD2 C 13 24.9674 0.0000 . 1 . . . . . 348 LEU CD2 . 52723 1 486 . 1 . 1 351 351 ALA HB1 H 1 1.5890 0.0000 . 1 . . . . . 351 ALA HB1 . 52723 1 487 . 1 . 1 351 351 ALA HB2 H 1 1.5890 0.0000 . 1 . . . . . 351 ALA HB1 . 52723 1 488 . 1 . 1 351 351 ALA HB3 H 1 1.5890 0.0000 . 1 . . . . . 351 ALA HB1 . 52723 1 489 . 1 . 1 351 351 ALA CB C 13 18.7781 0.0000 . 1 . . . . . 351 ALA CB . 52723 1 490 . 1 . 1 352 352 LEU HD11 H 1 0.5586 0.0000 . 1 . . . . . 352 LEU HD11 . 52723 1 491 . 1 . 1 352 352 LEU HD12 H 1 0.5586 0.0000 . 1 . . . . . 352 LEU HD11 . 52723 1 492 . 1 . 1 352 352 LEU HD13 H 1 0.5586 0.0000 . 1 . . . . . 352 LEU HD11 . 52723 1 493 . 1 . 1 352 352 LEU HD21 H 1 0.7232 0.0000 . 1 . . . . . 352 LEU HD21 . 52723 1 494 . 1 . 1 352 352 LEU HD22 H 1 0.7232 0.0000 . 1 . . . . . 352 LEU HD21 . 52723 1 495 . 1 . 1 352 352 LEU HD23 H 1 0.7232 0.0000 . 1 . . . . . 352 LEU HD21 . 52723 1 496 . 1 . 1 352 352 LEU CD1 C 13 26.2293 0.0000 . 1 . . . . . 352 LEU CD1 . 52723 1 497 . 1 . 1 352 352 LEU CD2 C 13 26.3932 0.0000 . 1 . . . . . 352 LEU CD2 . 52723 1 498 . 1 . 1 353 353 THR HG21 H 1 1.1825 0.0000 . 1 . . . . . 353 THR HG21 . 52723 1 499 . 1 . 1 353 353 THR HG22 H 1 1.1825 0.0000 . 1 . . . . . 353 THR HG21 . 52723 1 500 . 1 . 1 353 353 THR HG23 H 1 1.1825 0.0000 . 1 . . . . . 353 THR HG21 . 52723 1 501 . 1 . 1 353 353 THR CG2 C 13 21.0173 0.0000 . 1 . . . . . 353 THR CG2 . 52723 1 502 . 1 . 1 356 356 VAL HG11 H 1 0.0185 0.0000 . 1 . . . . . 356 VAL HG11 . 52723 1 503 . 1 . 1 356 356 VAL HG12 H 1 0.0185 0.0000 . 1 . . . . . 356 VAL HG11 . 52723 1 504 . 1 . 1 356 356 VAL HG13 H 1 0.0185 0.0000 . 1 . . . . . 356 VAL HG11 . 52723 1 505 . 1 . 1 356 356 VAL CG1 C 13 21.1124 0.0000 . 1 . . . . . 356 VAL CG1 . 52723 1 506 . 1 . 1 357 357 LEU HD11 H 1 0.9658 0.0000 . 1 . . . . . 357 LEU HD11 . 52723 1 507 . 1 . 1 357 357 LEU HD12 H 1 0.9658 0.0000 . 1 . . . . . 357 LEU HD11 . 52723 1 508 . 1 . 1 357 357 LEU HD13 H 1 0.9658 0.0000 . 1 . . . . . 357 LEU HD11 . 52723 1 509 . 1 . 1 357 357 LEU CD1 C 13 21.9732 0.0000 . 1 . . . . . 357 LEU CD1 . 52723 1 510 . 1 . 1 359 359 MET HE1 H 1 1.7957 0.0000 . 1 . . . . . 359 MET HE1 . 52723 1 511 . 1 . 1 359 359 MET HE2 H 1 1.7957 0.0000 . 1 . . . . . 359 MET HE1 . 52723 1 512 . 1 . 1 359 359 MET HE3 H 1 1.7957 0.0000 . 1 . . . . . 359 MET HE1 . 52723 1 513 . 1 . 1 359 359 MET CE C 13 16.2182 0.0000 . 1 . . . . . 359 MET CE . 52723 1 514 . 1 . 1 360 360 LEU HD11 H 1 0.5791 0.0000 . 1 . . . . . 360 LEU HD11 . 52723 1 515 . 1 . 1 360 360 LEU HD12 H 1 0.5791 0.0000 . 1 . . . . . 360 LEU HD11 . 52723 1 516 . 1 . 1 360 360 LEU HD13 H 1 0.5791 0.0000 . 1 . . . . . 360 LEU HD11 . 52723 1 517 . 1 . 1 360 360 LEU CD1 C 13 26.3848 0.0000 . 1 . . . . . 360 LEU CD1 . 52723 1 518 . 1 . 1 363 363 LEU HD11 H 1 0.9542 0.0000 . 1 . . . . . 363 LEU HD11 . 52723 1 519 . 1 . 1 363 363 LEU HD12 H 1 0.9542 0.0000 . 1 . . . . . 363 LEU HD11 . 52723 1 520 . 1 . 1 363 363 LEU HD13 H 1 0.9542 0.0000 . 1 . . . . . 363 LEU HD11 . 52723 1 521 . 1 . 1 363 363 LEU HD21 H 1 0.7377 0.0000 . 1 . . . . . 363 LEU HD21 . 52723 1 522 . 1 . 1 363 363 LEU HD22 H 1 0.7377 0.0000 . 1 . . . . . 363 LEU HD21 . 52723 1 523 . 1 . 1 363 363 LEU HD23 H 1 0.7377 0.0000 . 1 . . . . . 363 LEU HD21 . 52723 1 524 . 1 . 1 363 363 LEU CD1 C 13 24.0097 0.0000 . 1 . . . . . 363 LEU CD1 . 52723 1 525 . 1 . 1 363 363 LEU CD2 C 13 25.6448 0.0000 . 1 . . . . . 363 LEU CD2 . 52723 1 526 . 1 . 1 364 364 ALA HB1 H 1 0.5371 0.0000 . 1 . . . . . 364 ALA HB1 . 52723 1 527 . 1 . 1 364 364 ALA HB2 H 1 0.5371 0.0000 . 1 . . . . . 364 ALA HB1 . 52723 1 528 . 1 . 1 364 364 ALA HB3 H 1 0.5371 0.0000 . 1 . . . . . 364 ALA HB1 . 52723 1 529 . 1 . 1 364 364 ALA CB C 13 17.1679 0.0000 . 1 . . . . . 364 ALA CB . 52723 1 530 . 1 . 1 373 373 THR HG21 H 1 1.2837 0.0000 . 1 . . . . . 373 THR HG21 . 52723 1 531 . 1 . 1 373 373 THR HG22 H 1 1.2837 0.0000 . 1 . . . . . 373 THR HG21 . 52723 1 532 . 1 . 1 373 373 THR HG23 H 1 1.2837 0.0000 . 1 . . . . . 373 THR HG21 . 52723 1 533 . 1 . 1 373 373 THR CG2 C 13 22.6867 0.0000 . 1 . . . . . 373 THR CG2 . 52723 1 534 . 1 . 1 380 380 LEU HD21 H 1 0.8015 0.0000 . 1 . . . . . 380 LEU HD21 . 52723 1 535 . 1 . 1 380 380 LEU HD22 H 1 0.8015 0.0000 . 1 . . . . . 380 LEU HD21 . 52723 1 536 . 1 . 1 380 380 LEU HD23 H 1 0.8015 0.0000 . 1 . . . . . 380 LEU HD21 . 52723 1 537 . 1 . 1 380 380 LEU CD2 C 13 25.1899 0.0000 . 1 . . . . . 380 LEU CD2 . 52723 1 538 . 1 . 1 381 381 VAL HG11 H 1 0.8795 0.0000 . 1 . . . . . 381 VAL HG11 . 52723 1 539 . 1 . 1 381 381 VAL HG12 H 1 0.8795 0.0000 . 1 . . . . . 381 VAL HG11 . 52723 1 540 . 1 . 1 381 381 VAL HG13 H 1 0.8795 0.0000 . 1 . . . . . 381 VAL HG11 . 52723 1 541 . 1 . 1 381 381 VAL CG1 C 13 22.7525 0.0000 . 1 . . . . . 381 VAL CG1 . 52723 1 542 . 1 . 1 382 382 LEU HD11 H 1 0.6638 0.0000 . 1 . . . . . 382 LEU HD11 . 52723 1 543 . 1 . 1 382 382 LEU HD12 H 1 0.6638 0.0000 . 1 . . . . . 382 LEU HD11 . 52723 1 544 . 1 . 1 382 382 LEU HD13 H 1 0.6638 0.0000 . 1 . . . . . 382 LEU HD11 . 52723 1 545 . 1 . 1 382 382 LEU CD1 C 13 23.8844 0.0000 . 1 . . . . . 382 LEU CD1 . 52723 1 546 . 1 . 1 387 387 ALA HB1 H 1 0.4905 0.0000 . 1 . . . . . 387 ALA HB1 . 52723 1 547 . 1 . 1 387 387 ALA HB2 H 1 0.4905 0.0000 . 1 . . . . . 387 ALA HB1 . 52723 1 548 . 1 . 1 387 387 ALA HB3 H 1 0.4905 0.0000 . 1 . . . . . 387 ALA HB1 . 52723 1 549 . 1 . 1 387 387 ALA CB C 13 19.9774 0.0000 . 1 . . . . . 387 ALA CB . 52723 1 550 . 1 . 1 395 395 ALA HB1 H 1 1.5037 0.0000 . 1 . . . . . 395 ALA HB1 . 52723 1 551 . 1 . 1 395 395 ALA HB2 H 1 1.5037 0.0000 . 1 . . . . . 395 ALA HB1 . 52723 1 552 . 1 . 1 395 395 ALA HB3 H 1 1.5037 0.0000 . 1 . . . . . 395 ALA HB1 . 52723 1 553 . 1 . 1 395 395 ALA CB C 13 19.1160 0.0000 . 1 . . . . . 395 ALA CB . 52723 1 554 . 1 . 1 396 396 ILE HD11 H 1 0.4813 0.0000 . 1 . . . . . 396 ILE HD11 . 52723 1 555 . 1 . 1 396 396 ILE HD12 H 1 0.4813 0.0000 . 1 . . . . . 396 ILE HD11 . 52723 1 556 . 1 . 1 396 396 ILE HD13 H 1 0.4813 0.0000 . 1 . . . . . 396 ILE HD11 . 52723 1 557 . 1 . 1 396 396 ILE CD1 C 13 13.8211 0.0000 . 1 . . . . . 396 ILE CD1 . 52723 1 558 . 1 . 1 397 397 ALA HB1 H 1 1.7113 0.0000 . 1 . . . . . 397 ALA HB1 . 52723 1 559 . 1 . 1 397 397 ALA HB2 H 1 1.7113 0.0000 . 1 . . . . . 397 ALA HB1 . 52723 1 560 . 1 . 1 397 397 ALA HB3 H 1 1.7113 0.0000 . 1 . . . . . 397 ALA HB1 . 52723 1 561 . 1 . 1 397 397 ALA CB C 13 18.3238 0.0000 . 1 . . . . . 397 ALA CB . 52723 1 562 . 1 . 1 399 399 LEU HD11 H 1 1.0838 0.0000 . 1 . . . . . 399 LEU HD11 . 52723 1 563 . 1 . 1 399 399 LEU HD12 H 1 1.0838 0.0000 . 1 . . . . . 399 LEU HD11 . 52723 1 564 . 1 . 1 399 399 LEU HD13 H 1 1.0838 0.0000 . 1 . . . . . 399 LEU HD11 . 52723 1 565 . 1 . 1 399 399 LEU HD21 H 1 0.7045 0.0000 . 1 . . . . . 399 LEU HD21 . 52723 1 566 . 1 . 1 399 399 LEU HD22 H 1 0.7045 0.0000 . 1 . . . . . 399 LEU HD21 . 52723 1 567 . 1 . 1 399 399 LEU HD23 H 1 0.7045 0.0000 . 1 . . . . . 399 LEU HD21 . 52723 1 568 . 1 . 1 399 399 LEU CD1 C 13 27.7598 0.0000 . 1 . . . . . 399 LEU CD1 . 52723 1 569 . 1 . 1 399 399 LEU CD2 C 13 20.8896 0.0000 . 1 . . . . . 399 LEU CD2 . 52723 1 570 . 1 . 1 400 400 LEU HD11 H 1 0.9927 0.0000 . 1 . . . . . 400 LEU HD11 . 52723 1 571 . 1 . 1 400 400 LEU HD12 H 1 0.9927 0.0000 . 1 . . . . . 400 LEU HD11 . 52723 1 572 . 1 . 1 400 400 LEU HD13 H 1 0.9927 0.0000 . 1 . . . . . 400 LEU HD11 . 52723 1 573 . 1 . 1 400 400 LEU HD21 H 1 0.9370 0.0000 . 1 . . . . . 400 LEU HD21 . 52723 1 574 . 1 . 1 400 400 LEU HD22 H 1 0.9370 0.0000 . 1 . . . . . 400 LEU HD21 . 52723 1 575 . 1 . 1 400 400 LEU HD23 H 1 0.9370 0.0000 . 1 . . . . . 400 LEU HD21 . 52723 1 576 . 1 . 1 400 400 LEU CD1 C 13 27.0532 0.0000 . 1 . . . . . 400 LEU CD1 . 52723 1 577 . 1 . 1 400 400 LEU CD2 C 13 22.4478 0.0000 . 1 . . . . . 400 LEU CD2 . 52723 1 578 . 1 . 1 403 403 ALA HB1 H 1 1.7167 0.0000 . 1 . . . . . 403 ALA HB1 . 52723 1 579 . 1 . 1 403 403 ALA HB2 H 1 1.7167 0.0000 . 1 . . . . . 403 ALA HB1 . 52723 1 580 . 1 . 1 403 403 ALA HB3 H 1 1.7167 0.0000 . 1 . . . . . 403 ALA HB1 . 52723 1 581 . 1 . 1 403 403 ALA CB C 13 19.5460 0.0000 . 1 . . . . . 403 ALA CB . 52723 1 582 . 1 . 1 405 405 THR HG21 H 1 1.5163 0.0000 . 1 . . . . . 405 THR HG21 . 52723 1 583 . 1 . 1 405 405 THR HG22 H 1 1.5163 0.0000 . 1 . . . . . 405 THR HG21 . 52723 1 584 . 1 . 1 405 405 THR HG23 H 1 1.5163 0.0000 . 1 . . . . . 405 THR HG21 . 52723 1 585 . 1 . 1 405 405 THR CG2 C 13 23.6385 0.0000 . 1 . . . . . 405 THR CG2 . 52723 1 586 . 1 . 1 411 411 ALA HB1 H 1 1.2643 0.0000 . 1 . . . . . 411 ALA HB1 . 52723 1 587 . 1 . 1 411 411 ALA HB2 H 1 1.2643 0.0000 . 1 . . . . . 411 ALA HB1 . 52723 1 588 . 1 . 1 411 411 ALA HB3 H 1 1.2643 0.0000 . 1 . . . . . 411 ALA HB1 . 52723 1 589 . 1 . 1 411 411 ALA CB C 13 18.7400 0.0000 . 1 . . . . . 411 ALA CB . 52723 1 590 . 1 . 1 414 414 VAL HG11 H 1 1.1973 0.0000 . 1 . . . . . 414 VAL HG11 . 52723 1 591 . 1 . 1 414 414 VAL HG12 H 1 1.1973 0.0000 . 1 . . . . . 414 VAL HG11 . 52723 1 592 . 1 . 1 414 414 VAL HG13 H 1 1.1973 0.0000 . 1 . . . . . 414 VAL HG11 . 52723 1 593 . 1 . 1 414 414 VAL CG1 C 13 21.6702 0.0000 . 1 . . . . . 414 VAL CG1 . 52723 1 594 . 1 . 1 416 416 LEU HD11 H 1 0.5896 0.0000 . 1 . . . . . 416 LEU HD11 . 52723 1 595 . 1 . 1 416 416 LEU HD12 H 1 0.5896 0.0000 . 1 . . . . . 416 LEU HD11 . 52723 1 596 . 1 . 1 416 416 LEU HD13 H 1 0.5896 0.0000 . 1 . . . . . 416 LEU HD11 . 52723 1 597 . 1 . 1 416 416 LEU HD21 H 1 -0.1679 0.0000 . 1 . . . . . 416 LEU HD21 . 52723 1 598 . 1 . 1 416 416 LEU HD22 H 1 -0.1679 0.0000 . 1 . . . . . 416 LEU HD21 . 52723 1 599 . 1 . 1 416 416 LEU HD23 H 1 -0.1679 0.0000 . 1 . . . . . 416 LEU HD21 . 52723 1 600 . 1 . 1 416 416 LEU CD1 C 13 25.9639 0.0000 . 1 . . . . . 416 LEU CD1 . 52723 1 601 . 1 . 1 416 416 LEU CD2 C 13 24.9964 0.0000 . 1 . . . . . 416 LEU CD2 . 52723 1 602 . 1 . 1 420 420 VAL HG11 H 1 1.3188 0.0000 . 1 . . . . . 420 VAL HG11 . 52723 1 603 . 1 . 1 420 420 VAL HG12 H 1 1.3188 0.0000 . 1 . . . . . 420 VAL HG11 . 52723 1 604 . 1 . 1 420 420 VAL HG13 H 1 1.3188 0.0000 . 1 . . . . . 420 VAL HG11 . 52723 1 605 . 1 . 1 420 420 VAL HG21 H 1 1.0753 0.0000 . 1 . . . . . 420 VAL HG21 . 52723 1 606 . 1 . 1 420 420 VAL HG22 H 1 1.0753 0.0000 . 1 . . . . . 420 VAL HG21 . 52723 1 607 . 1 . 1 420 420 VAL HG23 H 1 1.0753 0.0000 . 1 . . . . . 420 VAL HG21 . 52723 1 608 . 1 . 1 420 420 VAL CG1 C 13 23.1360 0.0000 . 1 . . . . . 420 VAL CG1 . 52723 1 609 . 1 . 1 420 420 VAL CG2 C 13 21.6237 0.0000 . 1 . . . . . 420 VAL CG2 . 52723 1 610 . 1 . 1 423 423 MET HE1 H 1 1.8629 0.0000 . 1 . . . . . 423 MET HE1 . 52723 1 611 . 1 . 1 423 423 MET HE2 H 1 1.8629 0.0000 . 1 . . . . . 423 MET HE1 . 52723 1 612 . 1 . 1 423 423 MET HE3 H 1 1.8629 0.0000 . 1 . . . . . 423 MET HE1 . 52723 1 613 . 1 . 1 423 423 MET CE C 13 16.4101 0.0000 . 1 . . . . . 423 MET CE . 52723 1 614 . 1 . 1 430 430 ILE HD11 H 1 0.1694 0.0000 . 1 . . . . . 430 ILE HD11 . 52723 1 615 . 1 . 1 430 430 ILE HD12 H 1 0.1694 0.0000 . 1 . . . . . 430 ILE HD11 . 52723 1 616 . 1 . 1 430 430 ILE HD13 H 1 0.1694 0.0000 . 1 . . . . . 430 ILE HD11 . 52723 1 617 . 1 . 1 430 430 ILE CD1 C 13 13.9497 0.0000 . 1 . . . . . 430 ILE CD1 . 52723 1 618 . 1 . 1 433 433 ILE HD11 H 1 0.9997 0.0000 . 1 . . . . . 433 ILE HD11 . 52723 1 619 . 1 . 1 433 433 ILE HD12 H 1 0.9997 0.0000 . 1 . . . . . 433 ILE HD11 . 52723 1 620 . 1 . 1 433 433 ILE HD13 H 1 0.9997 0.0000 . 1 . . . . . 433 ILE HD11 . 52723 1 621 . 1 . 1 433 433 ILE CD1 C 13 14.6836 0.0000 . 1 . . . . . 433 ILE CD1 . 52723 1 622 . 1 . 1 434 434 THR HG21 H 1 1.3701 0.0000 . 1 . . . . . 434 THR HG21 . 52723 1 623 . 1 . 1 434 434 THR HG22 H 1 1.3701 0.0000 . 1 . . . . . 434 THR HG21 . 52723 1 624 . 1 . 1 434 434 THR HG23 H 1 1.3701 0.0000 . 1 . . . . . 434 THR HG21 . 52723 1 625 . 1 . 1 434 434 THR CG2 C 13 22.8099 0.0000 . 1 . . . . . 434 THR CG2 . 52723 1 626 . 1 . 1 435 435 ALA HB1 H 1 1.4301 0.0000 . 1 . . . . . 435 ALA HB1 . 52723 1 627 . 1 . 1 435 435 ALA HB2 H 1 1.4301 0.0000 . 1 . . . . . 435 ALA HB1 . 52723 1 628 . 1 . 1 435 435 ALA HB3 H 1 1.4301 0.0000 . 1 . . . . . 435 ALA HB1 . 52723 1 629 . 1 . 1 435 435 ALA CB C 13 18.8331 0.0000 . 1 . . . . . 435 ALA CB . 52723 1 630 . 1 . 1 439 439 ALA HB1 H 1 1.4141 0.0000 . 1 . . . . . 439 ALA HB1 . 52723 1 631 . 1 . 1 439 439 ALA HB2 H 1 1.4141 0.0000 . 1 . . . . . 439 ALA HB1 . 52723 1 632 . 1 . 1 439 439 ALA HB3 H 1 1.4141 0.0000 . 1 . . . . . 439 ALA HB1 . 52723 1 633 . 1 . 1 439 439 ALA CB C 13 18.3199 0.0000 . 1 . . . . . 439 ALA CB . 52723 1 634 . 1 . 1 441 441 ALA HB1 H 1 1.2996 0.0000 . 1 . . . . . 441 ALA HB1 . 52723 1 635 . 1 . 1 441 441 ALA HB2 H 1 1.2996 0.0000 . 1 . . . . . 441 ALA HB1 . 52723 1 636 . 1 . 1 441 441 ALA HB3 H 1 1.2996 0.0000 . 1 . . . . . 441 ALA HB1 . 52723 1 637 . 1 . 1 441 441 ALA CB C 13 18.1381 0.0000 . 1 . . . . . 441 ALA CB . 52723 1 638 . 1 . 1 447 447 LEU HD21 H 1 0.9508 0.0000 . 1 . . . . . 447 LEU HD21 . 52723 1 639 . 1 . 1 447 447 LEU HD22 H 1 0.9508 0.0000 . 1 . . . . . 447 LEU HD21 . 52723 1 640 . 1 . 1 447 447 LEU HD23 H 1 0.9508 0.0000 . 1 . . . . . 447 LEU HD21 . 52723 1 641 . 1 . 1 447 447 LEU CD2 C 13 25.8367 0.0000 . 1 . . . . . 447 LEU CD2 . 52723 1 642 . 1 . 1 449 449 LEU HD11 H 1 0.8025 0.0000 . 1 . . . . . 449 LEU HD11 . 52723 1 643 . 1 . 1 449 449 LEU HD12 H 1 0.8025 0.0000 . 1 . . . . . 449 LEU HD11 . 52723 1 644 . 1 . 1 449 449 LEU HD13 H 1 0.8025 0.0000 . 1 . . . . . 449 LEU HD11 . 52723 1 645 . 1 . 1 449 449 LEU HD21 H 1 0.8921 0.0000 . 1 . . . . . 449 LEU HD21 . 52723 1 646 . 1 . 1 449 449 LEU HD22 H 1 0.8921 0.0000 . 1 . . . . . 449 LEU HD21 . 52723 1 647 . 1 . 1 449 449 LEU HD23 H 1 0.8921 0.0000 . 1 . . . . . 449 LEU HD21 . 52723 1 648 . 1 . 1 449 449 LEU CD1 C 13 24.3806 0.0000 . 1 . . . . . 449 LEU CD1 . 52723 1 649 . 1 . 1 449 449 LEU CD2 C 13 24.2823 0.0000 . 1 . . . . . 449 LEU CD2 . 52723 1 650 . 1 . 1 450 450 LEU HD11 H 1 0.4674 0.0000 . 1 . . . . . 450 LEU HD11 . 52723 1 651 . 1 . 1 450 450 LEU HD12 H 1 0.4674 0.0000 . 1 . . . . . 450 LEU HD11 . 52723 1 652 . 1 . 1 450 450 LEU HD13 H 1 0.4674 0.0000 . 1 . . . . . 450 LEU HD11 . 52723 1 653 . 1 . 1 450 450 LEU CD1 C 13 25.0480 0.0000 . 1 . . . . . 450 LEU CD1 . 52723 1 654 . 1 . 1 455 455 ILE HD11 H 1 0.7121 0.0000 . 1 . . . . . 455 ILE HD11 . 52723 1 655 . 1 . 1 455 455 ILE HD12 H 1 0.7121 0.0000 . 1 . . . . . 455 ILE HD11 . 52723 1 656 . 1 . 1 455 455 ILE HD13 H 1 0.7121 0.0000 . 1 . . . . . 455 ILE HD11 . 52723 1 657 . 1 . 1 455 455 ILE CD1 C 13 12.3905 0.0000 . 1 . . . . . 455 ILE CD1 . 52723 1 658 . 1 . 1 457 457 VAL HG21 H 1 0.8227 0.0000 . 1 . . . . . 457 VAL HG21 . 52723 1 659 . 1 . 1 457 457 VAL HG22 H 1 0.8227 0.0000 . 1 . . . . . 457 VAL HG21 . 52723 1 660 . 1 . 1 457 457 VAL HG23 H 1 0.8227 0.0000 . 1 . . . . . 457 VAL HG21 . 52723 1 661 . 1 . 1 457 457 VAL CG2 C 13 21.8791 0.0000 . 1 . . . . . 457 VAL CG2 . 52723 1 662 . 1 . 1 458 458 LEU HD11 H 1 0.3388 0.0000 . 1 . . . . . 458 LEU HD11 . 52723 1 663 . 1 . 1 458 458 LEU HD12 H 1 0.3388 0.0000 . 1 . . . . . 458 LEU HD11 . 52723 1 664 . 1 . 1 458 458 LEU HD13 H 1 0.3388 0.0000 . 1 . . . . . 458 LEU HD11 . 52723 1 665 . 1 . 1 458 458 LEU CD1 C 13 23.1188 0.0000 . 1 . . . . . 458 LEU CD1 . 52723 1 666 . 1 . 1 459 459 LEU HD11 H 1 0.8161 0.0000 . 1 . . . . . 459 LEU HD11 . 52723 1 667 . 1 . 1 459 459 LEU HD12 H 1 0.8161 0.0000 . 1 . . . . . 459 LEU HD11 . 52723 1 668 . 1 . 1 459 459 LEU HD13 H 1 0.8161 0.0000 . 1 . . . . . 459 LEU HD11 . 52723 1 669 . 1 . 1 459 459 LEU HD21 H 1 0.6901 0.0000 . 1 . . . . . 459 LEU HD21 . 52723 1 670 . 1 . 1 459 459 LEU HD22 H 1 0.6901 0.0000 . 1 . . . . . 459 LEU HD21 . 52723 1 671 . 1 . 1 459 459 LEU HD23 H 1 0.6901 0.0000 . 1 . . . . . 459 LEU HD21 . 52723 1 672 . 1 . 1 459 459 LEU CD1 C 13 27.4841 0.0000 . 1 . . . . . 459 LEU CD1 . 52723 1 673 . 1 . 1 459 459 LEU CD2 C 13 23.3945 0.0000 . 1 . . . . . 459 LEU CD2 . 52723 1 674 . 1 . 1 460 460 LEU HD11 H 1 0.6732 0.0000 . 1 . . . . . 460 LEU HD11 . 52723 1 675 . 1 . 1 460 460 LEU HD12 H 1 0.6732 0.0000 . 1 . . . . . 460 LEU HD11 . 52723 1 676 . 1 . 1 460 460 LEU HD13 H 1 0.6732 0.0000 . 1 . . . . . 460 LEU HD11 . 52723 1 677 . 1 . 1 460 460 LEU CD1 C 13 27.0040 0.0000 . 1 . . . . . 460 LEU CD1 . 52723 1 678 . 1 . 1 464 464 ILE HD11 H 1 1.0277 0.0000 . 1 . . . . . 464 ILE HD11 . 52723 1 679 . 1 . 1 464 464 ILE HD12 H 1 1.0277 0.0000 . 1 . . . . . 464 ILE HD11 . 52723 1 680 . 1 . 1 464 464 ILE HD13 H 1 1.0277 0.0000 . 1 . . . . . 464 ILE HD11 . 52723 1 681 . 1 . 1 464 464 ILE CD1 C 13 15.4431 0.0000 . 1 . . . . . 464 ILE CD1 . 52723 1 682 . 1 . 1 468 468 MET HE1 H 1 0.3385 0.0000 . 1 . . . . . 468 MET HE1 . 52723 1 683 . 1 . 1 468 468 MET HE2 H 1 0.3385 0.0000 . 1 . . . . . 468 MET HE1 . 52723 1 684 . 1 . 1 468 468 MET HE3 H 1 0.3385 0.0000 . 1 . . . . . 468 MET HE1 . 52723 1 685 . 1 . 1 468 468 MET CE C 13 14.5385 0.0000 . 1 . . . . . 468 MET CE . 52723 1 686 . 1 . 1 469 469 MET HE1 H 1 2.1117 0.0000 . 1 . . . . . 469 MET HE1 . 52723 1 687 . 1 . 1 469 469 MET HE2 H 1 2.1117 0.0000 . 1 . . . . . 469 MET HE1 . 52723 1 688 . 1 . 1 469 469 MET HE3 H 1 2.1117 0.0000 . 1 . . . . . 469 MET HE1 . 52723 1 689 . 1 . 1 469 469 MET CE C 13 16.6977 0.0000 . 1 . . . . . 469 MET CE . 52723 1 690 . 1 . 1 472 472 LEU HD11 H 1 0.7944 0.0000 . 1 . . . . . 472 LEU HD11 . 52723 1 691 . 1 . 1 472 472 LEU HD12 H 1 0.7944 0.0000 . 1 . . . . . 472 LEU HD11 . 52723 1 692 . 1 . 1 472 472 LEU HD13 H 1 0.7944 0.0000 . 1 . . . . . 472 LEU HD11 . 52723 1 693 . 1 . 1 472 472 LEU CD1 C 13 24.1069 0.0000 . 1 . . . . . 472 LEU CD1 . 52723 1 694 . 1 . 1 483 483 VAL HG11 H 1 0.8665 0.0000 . 1 . . . . . 483 VAL HG11 . 52723 1 695 . 1 . 1 483 483 VAL HG12 H 1 0.8665 0.0000 . 1 . . . . . 483 VAL HG11 . 52723 1 696 . 1 . 1 483 483 VAL HG13 H 1 0.8665 0.0000 . 1 . . . . . 483 VAL HG11 . 52723 1 697 . 1 . 1 483 483 VAL HG21 H 1 0.9938 0.0000 . 1 . . . . . 483 VAL HG21 . 52723 1 698 . 1 . 1 483 483 VAL HG22 H 1 0.9938 0.0000 . 1 . . . . . 483 VAL HG21 . 52723 1 699 . 1 . 1 483 483 VAL HG23 H 1 0.9938 0.0000 . 1 . . . . . 483 VAL HG21 . 52723 1 700 . 1 . 1 483 483 VAL CG1 C 13 20.9320 0.0000 . 1 . . . . . 483 VAL CG1 . 52723 1 701 . 1 . 1 483 483 VAL CG2 C 13 23.5316 0.0000 . 1 . . . . . 483 VAL CG2 . 52723 1 702 . 1 . 1 486 486 VAL HG11 H 1 0.9267 0.0000 . 1 . . . . . 486 VAL HG11 . 52723 1 703 . 1 . 1 486 486 VAL HG12 H 1 0.9267 0.0000 . 1 . . . . . 486 VAL HG11 . 52723 1 704 . 1 . 1 486 486 VAL HG13 H 1 0.9267 0.0000 . 1 . . . . . 486 VAL HG11 . 52723 1 705 . 1 . 1 486 486 VAL CG1 C 13 21.3734 0.0000 . 1 . . . . . 486 VAL CG1 . 52723 1 706 . 1 . 1 490 490 LEU HD11 H 1 0.7453 0.0000 . 1 . . . . . 490 LEU HD11 . 52723 1 707 . 1 . 1 490 490 LEU HD12 H 1 0.7453 0.0000 . 1 . . . . . 490 LEU HD11 . 52723 1 708 . 1 . 1 490 490 LEU HD13 H 1 0.7453 0.0000 . 1 . . . . . 490 LEU HD11 . 52723 1 709 . 1 . 1 490 490 LEU HD21 H 1 0.8389 0.0000 . 1 . . . . . 490 LEU HD21 . 52723 1 710 . 1 . 1 490 490 LEU HD22 H 1 0.8389 0.0000 . 1 . . . . . 490 LEU HD21 . 52723 1 711 . 1 . 1 490 490 LEU HD23 H 1 0.8389 0.0000 . 1 . . . . . 490 LEU HD21 . 52723 1 712 . 1 . 1 490 490 LEU CD1 C 13 23.8154 0.0000 . 1 . . . . . 490 LEU CD1 . 52723 1 713 . 1 . 1 490 490 LEU CD2 C 13 25.3386 0.0000 . 1 . . . . . 490 LEU CD2 . 52723 1 714 . 1 . 1 494 494 ALA HB1 H 1 1.3795 0.0000 . 1 . . . . . 494 ALA HB1 . 52723 1 715 . 1 . 1 494 494 ALA HB2 H 1 1.3795 0.0000 . 1 . . . . . 494 ALA HB1 . 52723 1 716 . 1 . 1 494 494 ALA HB3 H 1 1.3795 0.0000 . 1 . . . . . 494 ALA HB1 . 52723 1 717 . 1 . 1 494 494 ALA CB C 13 19.4321 0.0000 . 1 . . . . . 494 ALA CB . 52723 1 718 . 1 . 1 512 512 ILE HD11 H 1 0.5357 0.0000 . 1 . . . . . 512 ILE HD11 . 52723 1 719 . 1 . 1 512 512 ILE HD12 H 1 0.5357 0.0000 . 1 . . . . . 512 ILE HD11 . 52723 1 720 . 1 . 1 512 512 ILE HD13 H 1 0.5357 0.0000 . 1 . . . . . 512 ILE HD11 . 52723 1 721 . 1 . 1 512 512 ILE CD1 C 13 11.7790 0.0000 . 1 . . . . . 512 ILE CD1 . 52723 1 722 . 1 . 1 515 515 VAL HG11 H 1 0.4483 0.0000 . 1 . . . . . 515 VAL HG11 . 52723 1 723 . 1 . 1 515 515 VAL HG12 H 1 0.4483 0.0000 . 1 . . . . . 515 VAL HG11 . 52723 1 724 . 1 . 1 515 515 VAL HG13 H 1 0.4483 0.0000 . 1 . . . . . 515 VAL HG11 . 52723 1 725 . 1 . 1 515 515 VAL HG21 H 1 0.5508 0.0000 . 1 . . . . . 515 VAL HG21 . 52723 1 726 . 1 . 1 515 515 VAL HG22 H 1 0.5508 0.0000 . 1 . . . . . 515 VAL HG21 . 52723 1 727 . 1 . 1 515 515 VAL HG23 H 1 0.5508 0.0000 . 1 . . . . . 515 VAL HG21 . 52723 1 728 . 1 . 1 515 515 VAL CG1 C 13 24.0499 0.0000 . 1 . . . . . 515 VAL CG1 . 52723 1 729 . 1 . 1 515 515 VAL CG2 C 13 23.3168 0.0000 . 1 . . . . . 515 VAL CG2 . 52723 1 730 . 1 . 1 517 517 ALA HB1 H 1 1.5154 0.0000 . 1 . . . . . 517 ALA HB1 . 52723 1 731 . 1 . 1 517 517 ALA HB2 H 1 1.5154 0.0000 . 1 . . . . . 517 ALA HB1 . 52723 1 732 . 1 . 1 517 517 ALA HB3 H 1 1.5154 0.0000 . 1 . . . . . 517 ALA HB1 . 52723 1 733 . 1 . 1 517 517 ALA CB C 13 18.2022 0.0000 . 1 . . . . . 517 ALA CB . 52723 1 734 . 1 . 1 518 518 LEU HD11 H 1 0.9852 0.0000 . 1 . . . . . 518 LEU HD11 . 52723 1 735 . 1 . 1 518 518 LEU HD12 H 1 0.9852 0.0000 . 1 . . . . . 518 LEU HD11 . 52723 1 736 . 1 . 1 518 518 LEU HD13 H 1 0.9852 0.0000 . 1 . . . . . 518 LEU HD11 . 52723 1 737 . 1 . 1 518 518 LEU HD21 H 1 1.1135 0.0000 . 1 . . . . . 518 LEU HD21 . 52723 1 738 . 1 . 1 518 518 LEU HD22 H 1 1.1135 0.0000 . 1 . . . . . 518 LEU HD21 . 52723 1 739 . 1 . 1 518 518 LEU HD23 H 1 1.1135 0.0000 . 1 . . . . . 518 LEU HD21 . 52723 1 740 . 1 . 1 518 518 LEU CD1 C 13 26.3461 0.0000 . 1 . . . . . 518 LEU CD1 . 52723 1 741 . 1 . 1 518 518 LEU CD2 C 13 23.8438 0.0000 . 1 . . . . . 518 LEU CD2 . 52723 1 742 . 1 . 1 519 519 LEU HD11 H 1 0.5774 0.0000 . 1 . . . . . 519 LEU HD11 . 52723 1 743 . 1 . 1 519 519 LEU HD12 H 1 0.5774 0.0000 . 1 . . . . . 519 LEU HD11 . 52723 1 744 . 1 . 1 519 519 LEU HD13 H 1 0.5774 0.0000 . 1 . . . . . 519 LEU HD11 . 52723 1 745 . 1 . 1 519 519 LEU HD21 H 1 0.4776 0.0000 . 1 . . . . . 519 LEU HD21 . 52723 1 746 . 1 . 1 519 519 LEU HD22 H 1 0.4776 0.0000 . 1 . . . . . 519 LEU HD21 . 52723 1 747 . 1 . 1 519 519 LEU HD23 H 1 0.4776 0.0000 . 1 . . . . . 519 LEU HD21 . 52723 1 748 . 1 . 1 519 519 LEU CD1 C 13 27.5529 0.0000 . 1 . . . . . 519 LEU CD1 . 52723 1 749 . 1 . 1 519 519 LEU CD2 C 13 26.2238 0.0000 . 1 . . . . . 519 LEU CD2 . 52723 1 750 . 1 . 1 523 523 VAL HG11 H 1 0.6129 0.0000 . 1 . . . . . 523 VAL HG11 . 52723 1 751 . 1 . 1 523 523 VAL HG12 H 1 0.6129 0.0000 . 1 . . . . . 523 VAL HG11 . 52723 1 752 . 1 . 1 523 523 VAL HG13 H 1 0.6129 0.0000 . 1 . . . . . 523 VAL HG11 . 52723 1 753 . 1 . 1 523 523 VAL CG1 C 13 18.8313 0.0000 . 1 . . . . . 523 VAL CG1 . 52723 1 754 . 1 . 1 526 526 VAL HG11 H 1 1.0203 0.0000 . 1 . . . . . 526 VAL HG11 . 52723 1 755 . 1 . 1 526 526 VAL HG12 H 1 1.0203 0.0000 . 1 . . . . . 526 VAL HG11 . 52723 1 756 . 1 . 1 526 526 VAL HG13 H 1 1.0203 0.0000 . 1 . . . . . 526 VAL HG11 . 52723 1 757 . 1 . 1 526 526 VAL HG21 H 1 0.7742 0.0000 . 1 . . . . . 526 VAL HG21 . 52723 1 758 . 1 . 1 526 526 VAL HG22 H 1 0.7742 0.0000 . 1 . . . . . 526 VAL HG21 . 52723 1 759 . 1 . 1 526 526 VAL HG23 H 1 0.7742 0.0000 . 1 . . . . . 526 VAL HG21 . 52723 1 760 . 1 . 1 526 526 VAL CG1 C 13 22.7349 0.0000 . 1 . . . . . 526 VAL CG1 . 52723 1 761 . 1 . 1 526 526 VAL CG2 C 13 21.3767 0.0000 . 1 . . . . . 526 VAL CG2 . 52723 1 762 . 1 . 1 528 528 LEU HD11 H 1 0.9136 0.0000 . 1 . . . . . 528 LEU HD11 . 52723 1 763 . 1 . 1 528 528 LEU HD12 H 1 0.9136 0.0000 . 1 . . . . . 528 LEU HD11 . 52723 1 764 . 1 . 1 528 528 LEU HD13 H 1 0.9136 0.0000 . 1 . . . . . 528 LEU HD11 . 52723 1 765 . 1 . 1 528 528 LEU CD1 C 13 25.3028 0.0000 . 1 . . . . . 528 LEU CD1 . 52723 1 766 . 1 . 1 529 529 THR HG21 H 1 0.8430 0.0000 . 1 . . . . . 529 THR HG21 . 52723 1 767 . 1 . 1 529 529 THR HG22 H 1 0.8430 0.0000 . 1 . . . . . 529 THR HG21 . 52723 1 768 . 1 . 1 529 529 THR HG23 H 1 0.8430 0.0000 . 1 . . . . . 529 THR HG21 . 52723 1 769 . 1 . 1 529 529 THR CG2 C 13 20.0150 0.0000 . 1 . . . . . 529 THR CG2 . 52723 1 770 . 1 . 1 533 533 THR HG21 H 1 1.1450 0.0000 . 1 . . . . . 533 THR HG21 . 52723 1 771 . 1 . 1 533 533 THR HG22 H 1 1.1450 0.0000 . 1 . . . . . 533 THR HG21 . 52723 1 772 . 1 . 1 533 533 THR HG23 H 1 1.1450 0.0000 . 1 . . . . . 533 THR HG21 . 52723 1 773 . 1 . 1 533 533 THR CG2 C 13 22.1415 0.0000 . 1 . . . . . 533 THR CG2 . 52723 1 774 . 1 . 1 535 535 THR HG21 H 1 1.2341 0.0000 . 1 . . . . . 535 THR HG21 . 52723 1 775 . 1 . 1 535 535 THR HG22 H 1 1.2341 0.0000 . 1 . . . . . 535 THR HG21 . 52723 1 776 . 1 . 1 535 535 THR HG23 H 1 1.2341 0.0000 . 1 . . . . . 535 THR HG21 . 52723 1 777 . 1 . 1 535 535 THR CG2 C 13 22.1828 0.0000 . 1 . . . . . 535 THR CG2 . 52723 1 778 . 1 . 1 537 537 ALA HB1 H 1 1.2261 0.0000 . 1 . . . . . 537 ALA HB1 . 52723 1 779 . 1 . 1 537 537 ALA HB2 H 1 1.2261 0.0000 . 1 . . . . . 537 ALA HB1 . 52723 1 780 . 1 . 1 537 537 ALA HB3 H 1 1.2261 0.0000 . 1 . . . . . 537 ALA HB1 . 52723 1 781 . 1 . 1 537 537 ALA CB C 13 23.7458 0.0000 . 1 . . . . . 537 ALA CB . 52723 1 782 . 1 . 1 539 539 VAL HG11 H 1 1.5513 0.0000 . 1 . . . . . 539 VAL HG11 . 52723 1 783 . 1 . 1 539 539 VAL HG12 H 1 1.5513 0.0000 . 1 . . . . . 539 VAL HG11 . 52723 1 784 . 1 . 1 539 539 VAL HG13 H 1 1.5513 0.0000 . 1 . . . . . 539 VAL HG11 . 52723 1 785 . 1 . 1 539 539 VAL HG21 H 1 0.2149 0.0000 . 1 . . . . . 539 VAL HG21 . 52723 1 786 . 1 . 1 539 539 VAL HG22 H 1 0.2149 0.0000 . 1 . . . . . 539 VAL HG21 . 52723 1 787 . 1 . 1 539 539 VAL HG23 H 1 0.2149 0.0000 . 1 . . . . . 539 VAL HG21 . 52723 1 788 . 1 . 1 539 539 VAL CG1 C 13 21.8903 0.0000 . 1 . . . . . 539 VAL CG1 . 52723 1 789 . 1 . 1 539 539 VAL CG2 C 13 18.0526 0.0000 . 1 . . . . . 539 VAL CG2 . 52723 1 790 . 1 . 1 541 541 THR HG21 H 1 1.1078 0.0000 . 1 . . . . . 541 THR HG21 . 52723 1 791 . 1 . 1 541 541 THR HG22 H 1 1.1078 0.0000 . 1 . . . . . 541 THR HG21 . 52723 1 792 . 1 . 1 541 541 THR HG23 H 1 1.1078 0.0000 . 1 . . . . . 541 THR HG21 . 52723 1 793 . 1 . 1 541 541 THR CG2 C 13 21.7467 0.0000 . 1 . . . . . 541 THR CG2 . 52723 1 794 . 1 . 1 546 546 MET HE1 H 1 1.9729 0.0000 . 1 . . . . . 546 MET HE1 . 52723 1 795 . 1 . 1 546 546 MET HE2 H 1 1.9729 0.0000 . 1 . . . . . 546 MET HE1 . 52723 1 796 . 1 . 1 546 546 MET HE3 H 1 1.9729 0.0000 . 1 . . . . . 546 MET HE1 . 52723 1 797 . 1 . 1 546 546 MET CE C 13 16.9084 0.0000 . 1 . . . . . 546 MET CE . 52723 1 798 . 1 . 1 548 548 THR HG21 H 1 0.9669 0.0000 . 1 . . . . . 548 THR HG21 . 52723 1 799 . 1 . 1 548 548 THR HG22 H 1 0.9669 0.0000 . 1 . . . . . 548 THR HG21 . 52723 1 800 . 1 . 1 548 548 THR HG23 H 1 0.9669 0.0000 . 1 . . . . . 548 THR HG21 . 52723 1 801 . 1 . 1 548 548 THR CG2 C 13 19.5433 0.0000 . 1 . . . . . 548 THR CG2 . 52723 1 802 . 1 . 1 550 550 MET HE1 H 1 1.9961 0.0000 . 1 . . . . . 550 MET HE1 . 52723 1 803 . 1 . 1 550 550 MET HE2 H 1 1.9961 0.0000 . 1 . . . . . 550 MET HE1 . 52723 1 804 . 1 . 1 550 550 MET HE3 H 1 1.9961 0.0000 . 1 . . . . . 550 MET HE1 . 52723 1 805 . 1 . 1 550 550 MET CE C 13 17.4209 0.0000 . 1 . . . . . 550 MET CE . 52723 1 806 . 1 . 1 551 551 ALA HB1 H 1 1.4784 0.0000 . 1 . . . . . 551 ALA HB1 . 52723 1 807 . 1 . 1 551 551 ALA HB2 H 1 1.4784 0.0000 . 1 . . . . . 551 ALA HB1 . 52723 1 808 . 1 . 1 551 551 ALA HB3 H 1 1.4784 0.0000 . 1 . . . . . 551 ALA HB1 . 52723 1 809 . 1 . 1 551 551 ALA CB C 13 18.3790 0.0000 . 1 . . . . . 551 ALA CB . 52723 1 810 . 1 . 1 555 555 ALA HB1 H 1 1.4696 0.0000 . 1 . . . . . 555 ALA HB1 . 52723 1 811 . 1 . 1 555 555 ALA HB2 H 1 1.4696 0.0000 . 1 . . . . . 555 ALA HB1 . 52723 1 812 . 1 . 1 555 555 ALA HB3 H 1 1.4696 0.0000 . 1 . . . . . 555 ALA HB1 . 52723 1 813 . 1 . 1 555 555 ALA CB C 13 18.6072 0.0000 . 1 . . . . . 555 ALA CB . 52723 1 814 . 1 . 1 557 557 ALA HB1 H 1 1.4560 0.0000 . 1 . . . . . 557 ALA HB1 . 52723 1 815 . 1 . 1 557 557 ALA HB2 H 1 1.4560 0.0000 . 1 . . . . . 557 ALA HB1 . 52723 1 816 . 1 . 1 557 557 ALA HB3 H 1 1.4560 0.0000 . 1 . . . . . 557 ALA HB1 . 52723 1 817 . 1 . 1 557 557 ALA CB C 13 19.0284 0.0000 . 1 . . . . . 557 ALA CB . 52723 1 818 . 1 . 1 561 561 VAL HG11 H 1 0.9306 0.0000 . 1 . . . . . 561 VAL HG11 . 52723 1 819 . 1 . 1 561 561 VAL HG12 H 1 0.9306 0.0000 . 1 . . . . . 561 VAL HG11 . 52723 1 820 . 1 . 1 561 561 VAL HG13 H 1 0.9306 0.0000 . 1 . . . . . 561 VAL HG11 . 52723 1 821 . 1 . 1 561 561 VAL CG1 C 13 20.4632 0.0000 . 1 . . . . . 561 VAL CG1 . 52723 1 822 . 1 . 1 564 564 VAL HG11 H 1 1.2462 0.0000 . 1 . . . . . 564 VAL HG11 . 52723 1 823 . 1 . 1 564 564 VAL HG12 H 1 1.2462 0.0000 . 1 . . . . . 564 VAL HG11 . 52723 1 824 . 1 . 1 564 564 VAL HG13 H 1 1.2462 0.0000 . 1 . . . . . 564 VAL HG11 . 52723 1 825 . 1 . 1 564 564 VAL HG21 H 1 0.6925 0.0000 . 1 . . . . . 564 VAL HG21 . 52723 1 826 . 1 . 1 564 564 VAL HG22 H 1 0.6925 0.0000 . 1 . . . . . 564 VAL HG21 . 52723 1 827 . 1 . 1 564 564 VAL HG23 H 1 0.6925 0.0000 . 1 . . . . . 564 VAL HG21 . 52723 1 828 . 1 . 1 564 564 VAL CG1 C 13 22.1440 0.0000 . 1 . . . . . 564 VAL CG1 . 52723 1 829 . 1 . 1 564 564 VAL CG2 C 13 21.3747 0.0000 . 1 . . . . . 564 VAL CG2 . 52723 1 830 . 1 . 1 567 567 ILE HD11 H 1 0.7486 0.0000 . 1 . . . . . 567 ILE HD11 . 52723 1 831 . 1 . 1 567 567 ILE HD12 H 1 0.7486 0.0000 . 1 . . . . . 567 ILE HD11 . 52723 1 832 . 1 . 1 567 567 ILE HD13 H 1 0.7486 0.0000 . 1 . . . . . 567 ILE HD11 . 52723 1 833 . 1 . 1 567 567 ILE CD1 C 13 13.5875 0.0000 . 1 . . . . . 567 ILE CD1 . 52723 1 834 . 1 . 1 570 570 LEU HD11 H 1 0.3864 0.0000 . 1 . . . . . 570 LEU HD11 . 52723 1 835 . 1 . 1 570 570 LEU HD12 H 1 0.3864 0.0000 . 1 . . . . . 570 LEU HD11 . 52723 1 836 . 1 . 1 570 570 LEU HD13 H 1 0.3864 0.0000 . 1 . . . . . 570 LEU HD11 . 52723 1 837 . 1 . 1 570 570 LEU CD1 C 13 26.1417 0.0000 . 1 . . . . . 570 LEU CD1 . 52723 1 838 . 1 . 1 575 575 VAL HG21 H 1 0.4156 0.0000 . 1 . . . . . 575 VAL HG21 . 52723 1 839 . 1 . 1 575 575 VAL HG22 H 1 0.4156 0.0000 . 1 . . . . . 575 VAL HG21 . 52723 1 840 . 1 . 1 575 575 VAL HG23 H 1 0.4156 0.0000 . 1 . . . . . 575 VAL HG21 . 52723 1 841 . 1 . 1 575 575 VAL CG2 C 13 21.0599 0.0000 . 1 . . . . . 575 VAL CG2 . 52723 1 842 . 1 . 1 576 576 LEU HD11 H 1 0.9093 0.0000 . 1 . . . . . 576 LEU HD11 . 52723 1 843 . 1 . 1 576 576 LEU HD12 H 1 0.9093 0.0000 . 1 . . . . . 576 LEU HD11 . 52723 1 844 . 1 . 1 576 576 LEU HD13 H 1 0.9093 0.0000 . 1 . . . . . 576 LEU HD11 . 52723 1 845 . 1 . 1 576 576 LEU CD1 C 13 25.9777 0.0000 . 1 . . . . . 576 LEU CD1 . 52723 1 846 . 1 . 1 577 577 VAL HG11 H 1 0.6409 0.0000 . 1 . . . . . 577 VAL HG11 . 52723 1 847 . 1 . 1 577 577 VAL HG12 H 1 0.6409 0.0000 . 1 . . . . . 577 VAL HG11 . 52723 1 848 . 1 . 1 577 577 VAL HG13 H 1 0.6409 0.0000 . 1 . . . . . 577 VAL HG11 . 52723 1 849 . 1 . 1 577 577 VAL CG1 C 13 22.7357 0.0000 . 1 . . . . . 577 VAL CG1 . 52723 1 850 . 1 . 1 580 580 ALA HB1 H 1 1.3015 0.0000 . 1 . . . . . 580 ALA HB1 . 52723 1 851 . 1 . 1 580 580 ALA HB2 H 1 1.3015 0.0000 . 1 . . . . . 580 ALA HB1 . 52723 1 852 . 1 . 1 580 580 ALA HB3 H 1 1.3015 0.0000 . 1 . . . . . 580 ALA HB1 . 52723 1 853 . 1 . 1 580 580 ALA CB C 13 17.3350 0.0000 . 1 . . . . . 580 ALA CB . 52723 1 854 . 1 . 1 593 593 VAL HG21 H 1 0.8358 0.0000 . 1 . . . . . 593 VAL HG21 . 52723 1 855 . 1 . 1 593 593 VAL HG22 H 1 0.8358 0.0000 . 1 . . . . . 593 VAL HG21 . 52723 1 856 . 1 . 1 593 593 VAL HG23 H 1 0.8358 0.0000 . 1 . . . . . 593 VAL HG21 . 52723 1 857 . 1 . 1 593 593 VAL CG2 C 13 23.0641 0.0000 . 1 . . . . . 593 VAL CG2 . 52723 1 858 . 1 . 1 595 595 LEU HD11 H 1 0.8798 0.0000 . 1 . . . . . 595 LEU HD11 . 52723 1 859 . 1 . 1 595 595 LEU HD12 H 1 0.8798 0.0000 . 1 . . . . . 595 LEU HD11 . 52723 1 860 . 1 . 1 595 595 LEU HD13 H 1 0.8798 0.0000 . 1 . . . . . 595 LEU HD11 . 52723 1 861 . 1 . 1 595 595 LEU CD1 C 13 26.3154 0.0000 . 1 . . . . . 595 LEU CD1 . 52723 1 862 . 1 . 1 597 597 LEU HD21 H 1 -0.1549 0.0000 . 1 . . . . . 597 LEU HD21 . 52723 1 863 . 1 . 1 597 597 LEU HD22 H 1 -0.1549 0.0000 . 1 . . . . . 597 LEU HD21 . 52723 1 864 . 1 . 1 597 597 LEU HD23 H 1 -0.1549 0.0000 . 1 . . . . . 597 LEU HD21 . 52723 1 865 . 1 . 1 597 597 LEU CD2 C 13 21.1526 0.0000 . 1 . . . . . 597 LEU CD2 . 52723 1 866 . 1 . 1 600 600 ALA HB1 H 1 1.5451 0.0000 . 1 . . . . . 600 ALA HB1 . 52723 1 867 . 1 . 1 600 600 ALA HB2 H 1 1.5451 0.0000 . 1 . . . . . 600 ALA HB1 . 52723 1 868 . 1 . 1 600 600 ALA HB3 H 1 1.5451 0.0000 . 1 . . . . . 600 ALA HB1 . 52723 1 869 . 1 . 1 600 600 ALA CB C 13 18.0792 0.0000 . 1 . . . . . 600 ALA CB . 52723 1 870 . 1 . 1 602 602 LEU HD11 H 1 0.3300 0.0000 . 1 . . . . . 602 LEU HD11 . 52723 1 871 . 1 . 1 602 602 LEU HD12 H 1 0.3300 0.0000 . 1 . . . . . 602 LEU HD11 . 52723 1 872 . 1 . 1 602 602 LEU HD13 H 1 0.3300 0.0000 . 1 . . . . . 602 LEU HD11 . 52723 1 873 . 1 . 1 602 602 LEU CD1 C 13 26.6890 0.0000 . 1 . . . . . 602 LEU CD1 . 52723 1 874 . 1 . 1 603 603 ALA HB1 H 1 1.5184 0.0000 . 1 . . . . . 603 ALA HB1 . 52723 1 875 . 1 . 1 603 603 ALA HB2 H 1 1.5184 0.0000 . 1 . . . . . 603 ALA HB1 . 52723 1 876 . 1 . 1 603 603 ALA HB3 H 1 1.5184 0.0000 . 1 . . . . . 603 ALA HB1 . 52723 1 877 . 1 . 1 603 603 ALA CB C 13 18.5580 0.0000 . 1 . . . . . 603 ALA CB . 52723 1 878 . 1 . 1 608 608 LEU HD11 H 1 0.5493 0.0000 . 1 . . . . . 608 LEU HD11 . 52723 1 879 . 1 . 1 608 608 LEU HD12 H 1 0.5493 0.0000 . 1 . . . . . 608 LEU HD11 . 52723 1 880 . 1 . 1 608 608 LEU HD13 H 1 0.5493 0.0000 . 1 . . . . . 608 LEU HD11 . 52723 1 881 . 1 . 1 608 608 LEU CD1 C 13 21.8197 0.0000 . 1 . . . . . 608 LEU CD1 . 52723 1 882 . 1 . 1 613 613 LEU HD21 H 1 0.9158 0.0000 . 1 . . . . . 613 LEU HD21 . 52723 1 883 . 1 . 1 613 613 LEU HD22 H 1 0.9158 0.0000 . 1 . . . . . 613 LEU HD21 . 52723 1 884 . 1 . 1 613 613 LEU HD23 H 1 0.9158 0.0000 . 1 . . . . . 613 LEU HD21 . 52723 1 885 . 1 . 1 613 613 LEU CD2 C 13 23.6772 0.0000 . 1 . . . . . 613 LEU CD2 . 52723 1 886 . 1 . 1 615 615 ILE HD11 H 1 0.9754 0.0000 . 1 . . . . . 615 ILE HD11 . 52723 1 887 . 1 . 1 615 615 ILE HD12 H 1 0.9754 0.0000 . 1 . . . . . 615 ILE HD11 . 52723 1 888 . 1 . 1 615 615 ILE HD13 H 1 0.9754 0.0000 . 1 . . . . . 615 ILE HD11 . 52723 1 889 . 1 . 1 615 615 ILE CD1 C 13 14.5005 0.0000 . 1 . . . . . 615 ILE CD1 . 52723 1 890 . 1 . 1 618 618 MET HE1 H 1 1.5700 0.0000 . 1 . . . . . 618 MET HE1 . 52723 1 891 . 1 . 1 618 618 MET HE2 H 1 1.5700 0.0000 . 1 . . . . . 618 MET HE1 . 52723 1 892 . 1 . 1 618 618 MET HE3 H 1 1.5700 0.0000 . 1 . . . . . 618 MET HE1 . 52723 1 893 . 1 . 1 618 618 MET CE C 13 17.0784 0.0000 . 1 . . . . . 618 MET CE . 52723 1 894 . 1 . 1 621 621 LEU HD11 H 1 -0.0956 0.0000 . 1 . . . . . 621 LEU HD11 . 52723 1 895 . 1 . 1 621 621 LEU HD12 H 1 -0.0956 0.0000 . 1 . . . . . 621 LEU HD11 . 52723 1 896 . 1 . 1 621 621 LEU HD13 H 1 -0.0956 0.0000 . 1 . . . . . 621 LEU HD11 . 52723 1 897 . 1 . 1 621 621 LEU HD21 H 1 -0.0498 0.0000 . 1 . . . . . 621 LEU HD21 . 52723 1 898 . 1 . 1 621 621 LEU HD22 H 1 -0.0498 0.0000 . 1 . . . . . 621 LEU HD21 . 52723 1 899 . 1 . 1 621 621 LEU HD23 H 1 -0.0498 0.0000 . 1 . . . . . 621 LEU HD21 . 52723 1 900 . 1 . 1 621 621 LEU CD1 C 13 25.4673 0.0000 . 1 . . . . . 621 LEU CD1 . 52723 1 901 . 1 . 1 621 621 LEU CD2 C 13 21.1259 0.0000 . 1 . . . . . 621 LEU CD2 . 52723 1 902 . 1 . 1 623 623 VAL HG11 H 1 0.9795 0.0000 . 1 . . . . . 623 VAL HG11 . 52723 1 903 . 1 . 1 623 623 VAL HG12 H 1 0.9795 0.0000 . 1 . . . . . 623 VAL HG11 . 52723 1 904 . 1 . 1 623 623 VAL HG13 H 1 0.9795 0.0000 . 1 . . . . . 623 VAL HG11 . 52723 1 905 . 1 . 1 623 623 VAL HG21 H 1 0.9083 0.0000 . 1 . . . . . 623 VAL HG21 . 52723 1 906 . 1 . 1 623 623 VAL HG22 H 1 0.9083 0.0000 . 1 . . . . . 623 VAL HG21 . 52723 1 907 . 1 . 1 623 623 VAL HG23 H 1 0.9083 0.0000 . 1 . . . . . 623 VAL HG21 . 52723 1 908 . 1 . 1 623 623 VAL CG1 C 13 20.1169 0.0000 . 1 . . . . . 623 VAL CG1 . 52723 1 909 . 1 . 1 623 623 VAL CG2 C 13 21.6149 0.0000 . 1 . . . . . 623 VAL CG2 . 52723 1 stop_ save_ ################################### # 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_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 52723 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name 'The methyl assignment of AMPPNP-bound state of E coli Hsp90' _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' . . . 52723 2 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 . . 52723 2 2 $software_2 . . 52723 2 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 20 20 MET HE1 H 1 2.0800 0.0000 . 1 . . . . . 20 MET HE1 . 52723 2 2 . 1 . 1 20 20 MET HE2 H 1 2.0800 0.0000 . 1 . . . . . 20 MET HE1 . 52723 2 3 . 1 . 1 20 20 MET HE3 H 1 2.0800 0.0000 . 1 . . . . . 20 MET HE1 . 52723 2 4 . 1 . 1 20 20 MET CE C 13 18.1954 0.0000 . 1 . . . . . 20 MET CE . 52723 2 5 . 1 . 1 30 30 ILE HD11 H 1 0.6401 0.0000 . 1 . . . . . 30 ILE HD11 . 52723 2 6 . 1 . 1 30 30 ILE HD12 H 1 0.6401 0.0000 . 1 . . . . . 30 ILE HD11 . 52723 2 7 . 1 . 1 30 30 ILE HD13 H 1 0.6401 0.0000 . 1 . . . . . 30 ILE HD11 . 52723 2 8 . 1 . 1 30 30 ILE CD1 C 13 16.3520 0.0000 . 1 . . . . . 30 ILE CD1 . 52723 2 9 . 1 . 1 36 36 ILE HD11 H 1 0.6720 0.0000 . 1 . . . . . 36 ILE HD11 . 52723 2 10 . 1 . 1 36 36 ILE HD12 H 1 0.6720 0.0000 . 1 . . . . . 36 ILE HD11 . 52723 2 11 . 1 . 1 36 36 ILE HD13 H 1 0.6720 0.0000 . 1 . . . . . 36 ILE HD11 . 52723 2 12 . 1 . 1 36 36 ILE CD1 C 13 12.2800 0.0000 . 1 . . . . . 36 ILE CD1 . 52723 2 13 . 1 . 1 46 46 LEU HD11 H 1 0.8779 0.0000 . 1 . . . . . 46 LEU HD11 . 52723 2 14 . 1 . 1 46 46 LEU HD12 H 1 0.8779 0.0000 . 1 . . . . . 46 LEU HD11 . 52723 2 15 . 1 . 1 46 46 LEU HD13 H 1 0.8779 0.0000 . 1 . . . . . 46 LEU HD11 . 52723 2 16 . 1 . 1 46 46 LEU CD1 C 13 28.1436 0.0000 . 1 . . . . . 46 LEU CD1 . 52723 2 17 . 1 . 1 63 63 LEU HD11 H 1 1.0523 0.0000 . 1 . . . . . 63 LEU HD11 . 52723 2 18 . 1 . 1 63 63 LEU HD12 H 1 1.0523 0.0000 . 1 . . . . . 63 LEU HD11 . 52723 2 19 . 1 . 1 63 63 LEU HD13 H 1 1.0523 0.0000 . 1 . . . . . 63 LEU HD11 . 52723 2 20 . 1 . 1 63 63 LEU CD1 C 13 27.3878 0.0000 . 1 . . . . . 63 LEU CD1 . 52723 2 21 . 1 . 1 76 76 LEU HD11 H 1 0.9039 0.0000 . 1 . . . . . 76 LEU HD11 . 52723 2 22 . 1 . 1 76 76 LEU HD12 H 1 0.9039 0.0000 . 1 . . . . . 76 LEU HD11 . 52723 2 23 . 1 . 1 76 76 LEU HD13 H 1 0.9039 0.0000 . 1 . . . . . 76 LEU HD11 . 52723 2 24 . 1 . 1 76 76 LEU HD21 H 1 1.0936 0.0000 . 1 . . . . . 76 LEU HD21 . 52723 2 25 . 1 . 1 76 76 LEU HD22 H 1 1.0936 0.0000 . 1 . . . . . 76 LEU HD21 . 52723 2 26 . 1 . 1 76 76 LEU HD23 H 1 1.0936 0.0000 . 1 . . . . . 76 LEU HD21 . 52723 2 27 . 1 . 1 76 76 LEU CD1 C 13 21.4226 0.0000 . 1 . . . . . 76 LEU CD1 . 52723 2 28 . 1 . 1 76 76 LEU CD2 C 13 25.7150 0.0000 . 1 . . . . . 76 LEU CD2 . 52723 2 29 . 1 . 1 91 91 ILE HD11 H 1 0.9671 0.0000 . 1 . . . . . 91 ILE HD11 . 52723 2 30 . 1 . 1 91 91 ILE HD12 H 1 0.9671 0.0000 . 1 . . . . . 91 ILE HD11 . 52723 2 31 . 1 . 1 91 91 ILE HD13 H 1 0.9671 0.0000 . 1 . . . . . 91 ILE HD11 . 52723 2 32 . 1 . 1 91 91 ILE CD1 C 13 13.1325 0.0000 . 1 . . . . . 91 ILE CD1 . 52723 2 33 . 1 . 1 94 94 LEU HD11 H 1 -0.4564 0.0000 . 1 . . . . . 94 LEU HD11 . 52723 2 34 . 1 . 1 94 94 LEU HD12 H 1 -0.4564 0.0000 . 1 . . . . . 94 LEU HD11 . 52723 2 35 . 1 . 1 94 94 LEU HD13 H 1 -0.4564 0.0000 . 1 . . . . . 94 LEU HD11 . 52723 2 36 . 1 . 1 94 94 LEU HD21 H 1 -0.8388 0.0000 . 1 . . . . . 94 LEU HD21 . 52723 2 37 . 1 . 1 94 94 LEU HD22 H 1 -0.8388 0.0000 . 1 . . . . . 94 LEU HD21 . 52723 2 38 . 1 . 1 94 94 LEU HD23 H 1 -0.8388 0.0000 . 1 . . . . . 94 LEU HD21 . 52723 2 39 . 1 . 1 94 94 LEU CD1 C 13 23.6167 0.0000 . 1 . . . . . 94 LEU CD1 . 52723 2 40 . 1 . 1 94 94 LEU CD2 C 13 19.8733 0.0000 . 1 . . . . . 94 LEU CD2 . 52723 2 41 . 1 . 1 97 97 ILE HD11 H 1 0.6345 0.0000 . 1 . . . . . 97 ILE HD11 . 52723 2 42 . 1 . 1 97 97 ILE HD12 H 1 0.6345 0.0000 . 1 . . . . . 97 ILE HD11 . 52723 2 43 . 1 . 1 97 97 ILE HD13 H 1 0.6345 0.0000 . 1 . . . . . 97 ILE HD11 . 52723 2 44 . 1 . 1 97 97 ILE CD1 C 13 13.9558 0.0000 . 1 . . . . . 97 ILE CD1 . 52723 2 45 . 1 . 1 120 120 ILE HD11 H 1 0.7044 0.0000 . 1 . . . . . 120 ILE HD11 . 52723 2 46 . 1 . 1 120 120 ILE HD12 H 1 0.7044 0.0000 . 1 . . . . . 120 ILE HD11 . 52723 2 47 . 1 . 1 120 120 ILE HD13 H 1 0.7044 0.0000 . 1 . . . . . 120 ILE HD11 . 52723 2 48 . 1 . 1 120 120 ILE CD1 C 13 13.7522 0.0000 . 1 . . . . . 120 ILE CD1 . 52723 2 49 . 1 . 1 133 133 VAL HG21 H 1 -0.6059 0.0000 . 1 . . . . . 133 VAL HG21 . 52723 2 50 . 1 . 1 133 133 VAL HG22 H 1 -0.6059 0.0000 . 1 . . . . . 133 VAL HG21 . 52723 2 51 . 1 . 1 133 133 VAL HG23 H 1 -0.6059 0.0000 . 1 . . . . . 133 VAL HG21 . 52723 2 52 . 1 . 1 133 133 VAL CG2 C 13 15.6148 0.0000 . 1 . . . . . 133 VAL CG2 . 52723 2 53 . 1 . 1 137 137 VAL HG11 H 1 0.0831 0.0000 . 1 . . . . . 137 VAL HG11 . 52723 2 54 . 1 . 1 137 137 VAL HG12 H 1 0.0831 0.0000 . 1 . . . . . 137 VAL HG11 . 52723 2 55 . 1 . 1 137 137 VAL HG13 H 1 0.0831 0.0000 . 1 . . . . . 137 VAL HG11 . 52723 2 56 . 1 . 1 137 137 VAL CG1 C 13 22.3793 0.0000 . 1 . . . . . 137 VAL CG1 . 52723 2 57 . 1 . 1 139 139 VAL HG11 H 1 0.4122 0.0000 . 1 . . . . . 139 VAL HG11 . 52723 2 58 . 1 . 1 139 139 VAL HG12 H 1 0.4122 0.0000 . 1 . . . . . 139 VAL HG11 . 52723 2 59 . 1 . 1 139 139 VAL HG13 H 1 0.4122 0.0000 . 1 . . . . . 139 VAL HG11 . 52723 2 60 . 1 . 1 139 139 VAL CG1 C 13 20.4924 0.0000 . 1 . . . . . 139 VAL CG1 . 52723 2 61 . 1 . 1 157 157 ALA HB1 H 1 1.6080 0.0000 . 1 . . . . . 157 ALA HB1 . 52723 2 62 . 1 . 1 157 157 ALA HB2 H 1 1.6080 0.0000 . 1 . . . . . 157 ALA HB1 . 52723 2 63 . 1 . 1 157 157 ALA HB3 H 1 1.6080 0.0000 . 1 . . . . . 157 ALA HB1 . 52723 2 64 . 1 . 1 157 157 ALA CB C 13 19.9905 0.0000 . 1 . . . . . 157 ALA CB . 52723 2 65 . 1 . 1 167 167 ILE HD11 H 1 0.9452 0.0000 . 1 . . . . . 167 ILE HD11 . 52723 2 66 . 1 . 1 167 167 ILE HD12 H 1 0.9452 0.0000 . 1 . . . . . 167 ILE HD11 . 52723 2 67 . 1 . 1 167 167 ILE HD13 H 1 0.9452 0.0000 . 1 . . . . . 167 ILE HD11 . 52723 2 68 . 1 . 1 167 167 ILE CD1 C 13 13.9254 0.0000 . 1 . . . . . 167 ILE CD1 . 52723 2 69 . 1 . 1 193 193 VAL HG21 H 1 1.2620 0.0000 . 1 . . . . . 193 VAL HG21 . 52723 2 70 . 1 . 1 193 193 VAL HG22 H 1 1.2620 0.0000 . 1 . . . . . 193 VAL HG21 . 52723 2 71 . 1 . 1 193 193 VAL HG23 H 1 1.2620 0.0000 . 1 . . . . . 193 VAL HG21 . 52723 2 72 . 1 . 1 193 193 VAL CG2 C 13 24.0978 0.0000 . 1 . . . . . 193 VAL CG2 . 52723 2 73 . 1 . 1 222 222 ILE HD11 H 1 1.1158 0.0000 . 1 . . . . . 222 ILE HD11 . 52723 2 74 . 1 . 1 222 222 ILE HD12 H 1 1.1158 0.0000 . 1 . . . . . 222 ILE HD11 . 52723 2 75 . 1 . 1 222 222 ILE HD13 H 1 1.1158 0.0000 . 1 . . . . . 222 ILE HD11 . 52723 2 76 . 1 . 1 222 222 ILE CD1 C 13 16.0700 0.0000 . 1 . . . . . 222 ILE CD1 . 52723 2 77 . 1 . 1 233 233 LEU HD11 H 1 0.1256 0.0000 . 1 . . . . . 233 LEU HD11 . 52723 2 78 . 1 . 1 233 233 LEU HD12 H 1 0.1256 0.0000 . 1 . . . . . 233 LEU HD11 . 52723 2 79 . 1 . 1 233 233 LEU HD13 H 1 0.1256 0.0000 . 1 . . . . . 233 LEU HD11 . 52723 2 80 . 1 . 1 233 233 LEU CD1 C 13 25.5068 0.0000 . 1 . . . . . 233 LEU CD1 . 52723 2 81 . 1 . 1 254 254 ALA HB1 H 1 0.6537 0.0000 . 1 . . . . . 254 ALA HB1 . 52723 2 82 . 1 . 1 254 254 ALA HB2 H 1 0.6537 0.0000 . 1 . . . . . 254 ALA HB1 . 52723 2 83 . 1 . 1 254 254 ALA HB3 H 1 0.6537 0.0000 . 1 . . . . . 254 ALA HB1 . 52723 2 84 . 1 . 1 254 254 ALA CB C 13 19.6728 0.0000 . 1 . . . . . 254 ALA CB . 52723 2 85 . 1 . 1 268 268 VAL HG21 H 1 0.5150 0.0000 . 1 . . . . . 268 VAL HG21 . 52723 2 86 . 1 . 1 268 268 VAL HG22 H 1 0.5150 0.0000 . 1 . . . . . 268 VAL HG21 . 52723 2 87 . 1 . 1 268 268 VAL HG23 H 1 0.5150 0.0000 . 1 . . . . . 268 VAL HG21 . 52723 2 88 . 1 . 1 268 268 VAL CG2 C 13 21.3141 0.0000 . 1 . . . . . 268 VAL CG2 . 52723 2 89 . 1 . 1 275 275 THR HG21 H 1 1.4838 0.0000 . 1 . . . . . 275 THR HG21 . 52723 2 90 . 1 . 1 275 275 THR HG22 H 1 1.4838 0.0000 . 1 . . . . . 275 THR HG21 . 52723 2 91 . 1 . 1 275 275 THR HG23 H 1 1.4838 0.0000 . 1 . . . . . 275 THR HG21 . 52723 2 92 . 1 . 1 275 275 THR CG2 C 13 21.7798 0.0000 . 1 . . . . . 275 THR CG2 . 52723 2 93 . 1 . 1 278 278 LEU HD21 H 1 1.0633 0.0000 . 1 . . . . . 278 LEU HD21 . 52723 2 94 . 1 . 1 278 278 LEU HD22 H 1 1.0633 0.0000 . 1 . . . . . 278 LEU HD21 . 52723 2 95 . 1 . 1 278 278 LEU HD23 H 1 1.0633 0.0000 . 1 . . . . . 278 LEU HD21 . 52723 2 96 . 1 . 1 278 278 LEU CD2 C 13 24.4141 0.0000 . 1 . . . . . 278 LEU CD2 . 52723 2 97 . 1 . 1 280 280 ILE HD11 H 1 0.7813 0.0000 . 1 . . . . . 280 ILE HD11 . 52723 2 98 . 1 . 1 280 280 ILE HD12 H 1 0.7813 0.0000 . 1 . . . . . 280 ILE HD11 . 52723 2 99 . 1 . 1 280 280 ILE HD13 H 1 0.7813 0.0000 . 1 . . . . . 280 ILE HD11 . 52723 2 100 . 1 . 1 280 280 ILE CD1 C 13 11.2985 0.0000 . 1 . . . . . 280 ILE CD1 . 52723 2 101 . 1 . 1 299 299 LEU HD11 H 1 0.8264 0.0000 . 1 . . . . . 299 LEU HD11 . 52723 2 102 . 1 . 1 299 299 LEU HD12 H 1 0.8264 0.0000 . 1 . . . . . 299 LEU HD11 . 52723 2 103 . 1 . 1 299 299 LEU HD13 H 1 0.8264 0.0000 . 1 . . . . . 299 LEU HD11 . 52723 2 104 . 1 . 1 299 299 LEU CD1 C 13 26.6396 0.0000 . 1 . . . . . 299 LEU CD1 . 52723 2 105 . 1 . 1 306 306 ILE HD11 H 1 0.7196 0.0000 . 1 . . . . . 306 ILE HD11 . 52723 2 106 . 1 . 1 306 306 ILE HD12 H 1 0.7196 0.0000 . 1 . . . . . 306 ILE HD11 . 52723 2 107 . 1 . 1 306 306 ILE HD13 H 1 0.7196 0.0000 . 1 . . . . . 306 ILE HD11 . 52723 2 108 . 1 . 1 306 306 ILE CD1 C 13 9.5046 0.0000 . 1 . . . . . 306 ILE CD1 . 52723 2 109 . 1 . 1 307 307 MET HE1 H 1 1.8478 0.0000 . 1 . . . . . 307 MET HE1 . 52723 2 110 . 1 . 1 307 307 MET HE2 H 1 1.8478 0.0000 . 1 . . . . . 307 MET HE1 . 52723 2 111 . 1 . 1 307 307 MET HE3 H 1 1.8478 0.0000 . 1 . . . . . 307 MET HE1 . 52723 2 112 . 1 . 1 307 307 MET CE C 13 17.3019 0.0000 . 1 . . . . . 307 MET CE . 52723 2 113 . 1 . 1 314 314 MET HE1 H 1 1.9149 0.0000 . 1 . . . . . 314 MET HE1 . 52723 2 114 . 1 . 1 314 314 MET HE2 H 1 1.9149 0.0000 . 1 . . . . . 314 MET HE1 . 52723 2 115 . 1 . 1 314 314 MET HE3 H 1 1.9149 0.0000 . 1 . . . . . 314 MET HE1 . 52723 2 116 . 1 . 1 314 314 MET CE C 13 18.8964 0.0000 . 1 . . . . . 314 MET CE . 52723 2 117 . 1 . 1 318 318 LEU HD11 H 1 1.4174 0.0000 . 1 . . . . . 318 LEU HD11 . 52723 2 118 . 1 . 1 318 318 LEU HD12 H 1 1.4174 0.0000 . 1 . . . . . 318 LEU HD11 . 52723 2 119 . 1 . 1 318 318 LEU HD13 H 1 1.4174 0.0000 . 1 . . . . . 318 LEU HD11 . 52723 2 120 . 1 . 1 318 318 LEU CD1 C 13 26.5604 0.0000 . 1 . . . . . 318 LEU CD1 . 52723 2 121 . 1 . 1 356 356 VAL HG11 H 1 0.0460 0.0000 . 1 . . . . . 356 VAL HG11 . 52723 2 122 . 1 . 1 356 356 VAL HG12 H 1 0.0460 0.0000 . 1 . . . . . 356 VAL HG11 . 52723 2 123 . 1 . 1 356 356 VAL HG13 H 1 0.0460 0.0000 . 1 . . . . . 356 VAL HG11 . 52723 2 124 . 1 . 1 356 356 VAL CG1 C 13 21.2020 0.0000 . 1 . . . . . 356 VAL CG1 . 52723 2 125 . 1 . 1 359 359 MET HE1 H 1 1.7895 0.0000 . 1 . . . . . 359 MET HE1 . 52723 2 126 . 1 . 1 359 359 MET HE2 H 1 1.7895 0.0000 . 1 . . . . . 359 MET HE1 . 52723 2 127 . 1 . 1 359 359 MET HE3 H 1 1.7895 0.0000 . 1 . . . . . 359 MET HE1 . 52723 2 128 . 1 . 1 359 359 MET CE C 13 15.8230 0.0000 . 1 . . . . . 359 MET CE . 52723 2 129 . 1 . 1 433 433 ILE HD11 H 1 1.0396 0.0000 . 1 . . . . . 433 ILE HD11 . 52723 2 130 . 1 . 1 433 433 ILE HD12 H 1 1.0396 0.0000 . 1 . . . . . 433 ILE HD11 . 52723 2 131 . 1 . 1 433 433 ILE HD13 H 1 1.0396 0.0000 . 1 . . . . . 433 ILE HD11 . 52723 2 132 . 1 . 1 433 433 ILE CD1 C 13 14.7587 0.0000 . 1 . . . . . 433 ILE CD1 . 52723 2 133 . 1 . 1 441 441 ALA HB1 H 1 1.1924 0.0000 . 1 . . . . . 441 ALA HB1 . 52723 2 134 . 1 . 1 441 441 ALA HB2 H 1 1.1924 0.0000 . 1 . . . . . 441 ALA HB1 . 52723 2 135 . 1 . 1 441 441 ALA HB3 H 1 1.1924 0.0000 . 1 . . . . . 441 ALA HB1 . 52723 2 136 . 1 . 1 441 441 ALA CB C 13 18.0502 0.0000 . 1 . . . . . 441 ALA CB . 52723 2 137 . 1 . 1 450 450 LEU HD11 H 1 0.4490 0.0000 . 1 . . . . . 450 LEU HD11 . 52723 2 138 . 1 . 1 450 450 LEU HD12 H 1 0.4490 0.0000 . 1 . . . . . 450 LEU HD11 . 52723 2 139 . 1 . 1 450 450 LEU HD13 H 1 0.4490 0.0000 . 1 . . . . . 450 LEU HD11 . 52723 2 140 . 1 . 1 450 450 LEU CD1 C 13 25.3217 0.0000 . 1 . . . . . 450 LEU CD1 . 52723 2 141 . 1 . 1 455 455 ILE HD11 H 1 0.7094 0.0000 . 1 . . . . . 455 ILE HD11 . 52723 2 142 . 1 . 1 455 455 ILE HD12 H 1 0.7094 0.0000 . 1 . . . . . 455 ILE HD11 . 52723 2 143 . 1 . 1 455 455 ILE HD13 H 1 0.7094 0.0000 . 1 . . . . . 455 ILE HD11 . 52723 2 144 . 1 . 1 455 455 ILE CD1 C 13 12.1172 0.0000 . 1 . . . . . 455 ILE CD1 . 52723 2 145 . 1 . 1 460 460 LEU HD11 H 1 0.6490 0.0000 . 1 . . . . . 460 LEU HD11 . 52723 2 146 . 1 . 1 460 460 LEU HD12 H 1 0.6490 0.0000 . 1 . . . . . 460 LEU HD11 . 52723 2 147 . 1 . 1 460 460 LEU HD13 H 1 0.6490 0.0000 . 1 . . . . . 460 LEU HD11 . 52723 2 148 . 1 . 1 460 460 LEU CD1 C 13 27.0553 0.0000 . 1 . . . . . 460 LEU CD1 . 52723 2 149 . 1 . 1 464 464 ILE HD11 H 1 1.1034 0.0000 . 1 . . . . . 464 ILE HD11 . 52723 2 150 . 1 . 1 464 464 ILE HD12 H 1 1.1034 0.0000 . 1 . . . . . 464 ILE HD11 . 52723 2 151 . 1 . 1 464 464 ILE HD13 H 1 1.1034 0.0000 . 1 . . . . . 464 ILE HD11 . 52723 2 152 . 1 . 1 464 464 ILE CD1 C 13 15.7744 0.0000 . 1 . . . . . 464 ILE CD1 . 52723 2 153 . 1 . 1 468 468 MET HE1 H 1 0.4585 0.0000 . 1 . . . . . 468 MET HE1 . 52723 2 154 . 1 . 1 468 468 MET HE2 H 1 0.4585 0.0000 . 1 . . . . . 468 MET HE1 . 52723 2 155 . 1 . 1 468 468 MET HE3 H 1 0.4585 0.0000 . 1 . . . . . 468 MET HE1 . 52723 2 156 . 1 . 1 468 468 MET CE C 13 15.1540 0.0000 . 1 . . . . . 468 MET CE . 52723 2 157 . 1 . 1 519 519 LEU HD11 H 1 0.6299 0.0000 . 1 . . . . . 519 LEU HD11 . 52723 2 158 . 1 . 1 519 519 LEU HD12 H 1 0.6299 0.0000 . 1 . . . . . 519 LEU HD11 . 52723 2 159 . 1 . 1 519 519 LEU HD13 H 1 0.6299 0.0000 . 1 . . . . . 519 LEU HD11 . 52723 2 160 . 1 . 1 519 519 LEU CD1 C 13 27.6789 0.0000 . 1 . . . . . 519 LEU CD1 . 52723 2 161 . 1 . 1 548 548 THR HG21 H 1 0.9720 0.0000 . 1 . . . . . 548 THR HG21 . 52723 2 162 . 1 . 1 548 548 THR HG22 H 1 0.9720 0.0000 . 1 . . . . . 548 THR HG21 . 52723 2 163 . 1 . 1 548 548 THR HG23 H 1 0.9720 0.0000 . 1 . . . . . 548 THR HG21 . 52723 2 164 . 1 . 1 548 548 THR CG2 C 13 19.3213 0.0000 . 1 . . . . . 548 THR CG2 . 52723 2 165 . 1 . 1 608 608 LEU HD11 H 1 0.5457 0.0000 . 1 . . . . . 608 LEU HD11 . 52723 2 166 . 1 . 1 608 608 LEU HD12 H 1 0.5457 0.0000 . 1 . . . . . 608 LEU HD11 . 52723 2 167 . 1 . 1 608 608 LEU HD13 H 1 0.5457 0.0000 . 1 . . . . . 608 LEU HD11 . 52723 2 168 . 1 . 1 608 608 LEU CD1 C 13 21.5036 0.0000 . 1 . . . . . 608 LEU CD1 . 52723 2 169 . 1 . 1 615 615 ILE HD11 H 1 1.0076 0.0000 . 1 . . . . . 615 ILE HD11 . 52723 2 170 . 1 . 1 615 615 ILE HD12 H 1 1.0076 0.0000 . 1 . . . . . 615 ILE HD11 . 52723 2 171 . 1 . 1 615 615 ILE HD13 H 1 1.0076 0.0000 . 1 . . . . . 615 ILE HD11 . 52723 2 172 . 1 . 1 615 615 ILE CD1 C 13 14.9582 0.0000 . 1 . . . . . 615 ILE CD1 . 52723 2 173 . 1 . 1 621 621 LEU HD11 H 1 -0.0345 0.0000 . 1 . . . . . 621 LEU HD11 . 52723 2 174 . 1 . 1 621 621 LEU HD12 H 1 -0.0345 0.0000 . 1 . . . . . 621 LEU HD11 . 52723 2 175 . 1 . 1 621 621 LEU HD13 H 1 -0.0345 0.0000 . 1 . . . . . 621 LEU HD11 . 52723 2 176 . 1 . 1 621 621 LEU HD21 H 1 -0.0026 0.0000 . 1 . . . . . 621 LEU HD21 . 52723 2 177 . 1 . 1 621 621 LEU HD22 H 1 -0.0026 0.0000 . 1 . . . . . 621 LEU HD21 . 52723 2 178 . 1 . 1 621 621 LEU HD23 H 1 -0.0026 0.0000 . 1 . . . . . 621 LEU HD21 . 52723 2 179 . 1 . 1 621 621 LEU CD1 C 13 25.5895 0.0000 . 1 . . . . . 621 LEU CD1 . 52723 2 180 . 1 . 1 621 621 LEU CD2 C 13 21.2897 0.0000 . 1 . . . . . 621 LEU CD2 . 52723 2 181 . 1 . 1 623 623 VAL HG11 H 1 0.9641 0.0000 . 1 . . . . . 623 VAL HG11 . 52723 2 182 . 1 . 1 623 623 VAL HG12 H 1 0.9641 0.0000 . 1 . . . . . 623 VAL HG11 . 52723 2 183 . 1 . 1 623 623 VAL HG13 H 1 0.9641 0.0000 . 1 . . . . . 623 VAL HG11 . 52723 2 184 . 1 . 1 623 623 VAL CG1 C 13 19.9290 0.0000 . 1 . . . . . 623 VAL CG1 . 52723 2 stop_ save_ ################################### # 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_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_3 _Assigned_chem_shift_list.Entry_ID 52723 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Name 'The methyl assignment of AMPPNP-bound state of E coli Hsp90' _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' . . . 52723 3 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 . . 52723 3 2 $software_2 . . 52723 3 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 83 83 VAL HG11 H 1 1.2251 0.0000 . 1 . . . . . 83 VAL HG11 . 52723 3 2 . 1 . 1 83 83 VAL HG12 H 1 1.2251 0.0000 . 1 . . . . . 83 VAL HG11 . 52723 3 3 . 1 . 1 83 83 VAL HG13 H 1 1.2251 0.0000 . 1 . . . . . 83 VAL HG11 . 52723 3 4 . 1 . 1 83 83 VAL CG1 C 13 19.1657 0.0000 . 1 . . . . . 83 VAL CG1 . 52723 3 5 . 1 . 1 94 94 LEU HD11 H 1 -0.8541 0.0000 . 1 . . . . . 94 LEU HD11 . 52723 3 6 . 1 . 1 94 94 LEU HD12 H 1 -0.8541 0.0000 . 1 . . . . . 94 LEU HD11 . 52723 3 7 . 1 . 1 94 94 LEU HD13 H 1 -0.8541 0.0000 . 1 . . . . . 94 LEU HD11 . 52723 3 8 . 1 . 1 94 94 LEU CD1 C 13 23.3655 0.0000 . 1 . . . . . 94 LEU CD1 . 52723 3 9 . 1 . 1 139 139 VAL HG11 H 1 0.5378 0.0000 . 1 . . . . . 139 VAL HG11 . 52723 3 10 . 1 . 1 139 139 VAL HG12 H 1 0.5378 0.0000 . 1 . . . . . 139 VAL HG11 . 52723 3 11 . 1 . 1 139 139 VAL HG13 H 1 0.5378 0.0000 . 1 . . . . . 139 VAL HG11 . 52723 3 12 . 1 . 1 139 139 VAL CG1 C 13 20.4504 0.0000 . 1 . . . . . 139 VAL CG1 . 52723 3 13 . 1 . 1 233 233 LEU HD11 H 1 0.1423 0.0000 . 1 . . . . . 233 LEU HD11 . 52723 3 14 . 1 . 1 233 233 LEU HD12 H 1 0.1423 0.0000 . 1 . . . . . 233 LEU HD11 . 52723 3 15 . 1 . 1 233 233 LEU HD13 H 1 0.1423 0.0000 . 1 . . . . . 233 LEU HD11 . 52723 3 16 . 1 . 1 233 233 LEU CD1 C 13 25.7591 0.0000 . 1 . . . . . 233 LEU CD1 . 52723 3 17 . 1 . 1 278 278 LEU HD21 H 1 1.0921 0.0000 . 1 . . . . . 278 LEU HD21 . 52723 3 18 . 1 . 1 278 278 LEU HD22 H 1 1.0921 0.0000 . 1 . . . . . 278 LEU HD21 . 52723 3 19 . 1 . 1 278 278 LEU HD23 H 1 1.0921 0.0000 . 1 . . . . . 278 LEU HD21 . 52723 3 20 . 1 . 1 278 278 LEU CD2 C 13 24.2253 0.0000 . 1 . . . . . 278 LEU CD2 . 52723 3 stop_ save_