################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25370 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _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 'Chemical shifts at 298K' _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H COSY' 1 $sample_1 isotropic 25370 1 2 '2D 1H-1H TOCSY' 1 $sample_1 isotropic 25370 1 3 '2D 1H-1H NOESY' 1 $sample_1 isotropic 25370 1 7 '2D 1H-1H COSY' 2 $sample_2 isotropic 25370 1 8 '2D 1H-1H TOCSY' 2 $sample_2 isotropic 25370 1 9 '2D 1H-1H NOESY' 2 $sample_2 isotropic 25370 1 10 '2D 1H-13C HSQC aliphatic' 2 $sample_2 isotropic 25370 1 11 '2D 1H-13C HSQC aromatic' 2 $sample_2 isotropic 25370 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 $SPARKY . . 25370 1 2 $TOPSPIN . . 25370 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 LYS HA H 1 4.01 0.01 . 1 . . . . 1 LYS HA . 25370 1 2 . 1 1 1 1 LYS HB2 H 1 1.88 0.01 . 2 . . . . 1 LYS HB2 . 25370 1 3 . 1 1 1 1 LYS HB3 H 1 1.88 0.01 . 2 . . . . 1 LYS HB3 . 25370 1 4 . 1 1 1 1 LYS HD2 H 1 1.69 0.01 . 2 . . . . 1 LYS HD2 . 25370 1 5 . 1 1 1 1 LYS HD3 H 1 1.69 0.01 . 2 . . . . 1 LYS HD3 . 25370 1 6 . 1 1 1 1 LYS HE2 H 1 2.97 0.01 . 2 . . . . 1 LYS HE2 . 25370 1 7 . 1 1 1 1 LYS HE3 H 1 2.97 0.01 . 2 . . . . 1 LYS HE3 . 25370 1 8 . 1 1 1 1 LYS HG2 H 1 1.44 0.01 . 2 . . . . 1 LYS HG2 . 25370 1 9 . 1 1 1 1 LYS HG3 H 1 1.44 0.01 . 2 . . . . 1 LYS HG3 . 25370 1 10 . 1 1 1 1 LYS HZ1 H 1 7.65 0.01 . 1 . . . . 1 LYS HZ1 . 25370 1 11 . 1 1 1 1 LYS HZ2 H 1 7.65 0.01 . 1 . . . . 1 LYS HZ2 . 25370 1 12 . 1 1 1 1 LYS HZ3 H 1 7.65 0.01 . 1 . . . . 1 LYS HZ3 . 25370 1 13 . 1 1 1 1 LYS CA C 13 54.9 0.1 . 1 . . . . 1 LYS CA . 25370 1 14 . 1 1 1 1 LYS CB C 13 32.7 0.1 . 1 . . . . 1 LYS CB . 25370 1 15 . 1 1 1 1 LYS CD C 13 28.6 0.1 . 1 . . . . 1 LYS CD . 25370 1 16 . 1 1 1 1 LYS CE C 13 41.2 0.1 . 1 . . . . 1 LYS CE . 25370 1 17 . 1 1 1 1 LYS CG C 13 23.5 0.1 . 1 . . . . 1 LYS CG . 25370 1 18 . 1 1 2 2 LYS H H 1 8.75 0.01 . 1 . . . . 2 LYS H . 25370 1 19 . 1 1 2 2 LYS HA H 1 4.34 0.01 . 1 . . . . 2 LYS HA . 25370 1 20 . 1 1 2 2 LYS HB2 H 1 1.75 0.01 . 2 . . . . 2 LYS HB2 . 25370 1 21 . 1 1 2 2 LYS HB3 H 1 1.75 0.01 . 2 . . . . 2 LYS HB3 . 25370 1 22 . 1 1 2 2 LYS HE2 H 1 2.96 0.01 . 2 . . . . 2 LYS HE2 . 25370 1 23 . 1 1 2 2 LYS HE3 H 1 2.96 0.01 . 2 . . . . 2 LYS HE3 . 25370 1 24 . 1 1 2 2 LYS HG2 H 1 1.4 0.01 . 2 . . . . 2 LYS HG2 . 25370 1 25 . 1 1 2 2 LYS HG3 H 1 1.44 0.01 . 2 . . . . 2 LYS HG3 . 25370 1 26 . 1 1 2 2 LYS CA C 13 55.9 0.1 . 1 . . . . 2 LYS CA . 25370 1 27 . 1 1 2 2 LYS CB C 13 32.7 0.1 . 1 . . . . 2 LYS CB . 25370 1 28 . 1 1 2 2 LYS CE C 13 41.5 0.1 . 1 . . . . 2 LYS CE . 25370 1 29 . 1 1 2 2 LYS CG C 13 24.4 0.1 . 1 . . . . 2 LYS CG . 25370 1 30 . 1 1 3 3 ARG H H 1 8.61 0.01 . 1 . . . . 3 ARG H . 25370 1 31 . 1 1 3 3 ARG HA H 1 4.32 0.01 . 1 . . . . 3 ARG HA . 25370 1 32 . 1 1 3 3 ARG HB2 H 1 1.75 0.01 . 2 . . . . 3 ARG HB2 . 25370 1 33 . 1 1 3 3 ARG HB3 H 1 1.8 0.01 . 2 . . . . 3 ARG HB3 . 25370 1 34 . 1 1 3 3 ARG HD2 H 1 3.18 0.01 . 2 . . . . 3 ARG HD2 . 25370 1 35 . 1 1 3 3 ARG HD3 H 1 3.18 0.01 . 2 . . . . 3 ARG HD3 . 25370 1 36 . 1 1 3 3 ARG HE H 1 7.3 0.01 . 1 . . . . 3 ARG HE . 25370 1 37 . 1 1 3 3 ARG HG2 H 1 1.6 0.01 . 2 . . . . 3 ARG HG2 . 25370 1 38 . 1 1 3 3 ARG HG3 H 1 1.65 0.01 . 2 . . . . 3 ARG HG3 . 25370 1 39 . 1 1 3 3 ARG CA C 13 55.5 0.1 . 1 . . . . 3 ARG CA . 25370 1 40 . 1 1 3 3 ARG CB C 13 30.6 0.1 . 1 . . . . 3 ARG CB . 25370 1 41 . 1 1 3 3 ARG CD C 13 42.8 0.1 . 1 . . . . 3 ARG CD . 25370 1 42 . 1 1 3 3 ARG CG C 13 26.8 0.1 . 1 . . . . 3 ARG CG . 25370 1 43 . 1 1 4 4 LEU H H 1 8.44 0.01 . 1 . . . . 4 LEU H . 25370 1 44 . 1 1 4 4 LEU HA H 1 4.31 0.01 . 1 . . . . 4 LEU HA . 25370 1 45 . 1 1 4 4 LEU HB2 H 1 1.56 0.01 . 2 . . . . 4 LEU HB2 . 25370 1 46 . 1 1 4 4 LEU HB3 H 1 1.65 0.01 . 2 . . . . 4 LEU HB3 . 25370 1 47 . 1 1 4 4 LEU HD11 H 1 0.87 0.01 . 2 . . . . 4 LEU HD1 . 25370 1 48 . 1 1 4 4 LEU HD12 H 1 0.87 0.01 . 2 . . . . 4 LEU HD1 . 25370 1 49 . 1 1 4 4 LEU HD13 H 1 0.87 0.01 . 2 . . . . 4 LEU HD1 . 25370 1 50 . 1 1 4 4 LEU HD21 H 1 0.92 0.01 . 2 . . . . 4 LEU HD2 . 25370 1 51 . 1 1 4 4 LEU HD22 H 1 0.92 0.01 . 2 . . . . 4 LEU HD2 . 25370 1 52 . 1 1 4 4 LEU HD23 H 1 0.92 0.01 . 2 . . . . 4 LEU HD2 . 25370 1 53 . 1 1 4 4 LEU HG H 1 1.65 0.01 . 1 . . . . 4 LEU HG . 25370 1 54 . 1 1 4 4 LEU CA C 13 54.7 0.1 . 1 . . . . 4 LEU CA . 25370 1 55 . 1 1 4 4 LEU CB C 13 42 0.1 . 1 . . . . 4 LEU CB . 25370 1 56 . 1 1 4 4 LEU CD1 C 13 23.3 0.1 . 1 . . . . 4 LEU CD1 . 25370 1 57 . 1 1 4 4 LEU CD2 C 13 24.6 0.1 . 1 . . . . 4 LEU CD2 . 25370 1 58 . 1 1 4 4 LEU CG C 13 26.7 0.1 . 1 . . . . 4 LEU CG . 25370 1 59 . 1 1 5 5 LYS H H 1 8.3 0.01 . 1 . . . . 5 LYS H . 25370 1 60 . 1 1 5 5 LYS HA H 1 4.24 0.01 . 1 . . . . 5 LYS HA . 25370 1 61 . 1 1 5 5 LYS HB2 H 1 1.68 0.01 . 2 . . . . 5 LYS HB2 . 25370 1 62 . 1 1 5 5 LYS HB3 H 1 1.77 0.01 . 2 . . . . 5 LYS HB3 . 25370 1 63 . 1 1 5 5 LYS HD2 H 1 1.66 0.01 . 2 . . . . 5 LYS HD2 . 25370 1 64 . 1 1 5 5 LYS HD3 H 1 1.66 0.01 . 2 . . . . 5 LYS HD3 . 25370 1 65 . 1 1 5 5 LYS HE2 H 1 2.94 0.01 . 2 . . . . 5 LYS HE2 . 25370 1 66 . 1 1 5 5 LYS HE3 H 1 2.94 0.01 . 2 . . . . 5 LYS HE3 . 25370 1 67 . 1 1 5 5 LYS HG2 H 1 1.36 0.01 . 2 . . . . 5 LYS HG2 . 25370 1 68 . 1 1 5 5 LYS HG3 H 1 1.42 0.01 . 2 . . . . 5 LYS HG3 . 25370 1 69 . 1 1 5 5 LYS CA C 13 56 0.1 . 1 . . . . 5 LYS CA . 25370 1 70 . 1 1 5 5 LYS CB C 13 33 0.1 . 1 . . . . 5 LYS CB . 25370 1 71 . 1 1 5 5 LYS CD C 13 28.6 0.1 . 1 . . . . 5 LYS CD . 25370 1 72 . 1 1 5 5 LYS CE C 13 41.3 0.1 . 1 . . . . 5 LYS CE . 25370 1 73 . 1 1 5 5 LYS CG C 13 24.5 0.1 . 1 . . . . 5 LYS CG . 25370 1 74 . 1 1 6 6 LYS H H 1 8.22 0.01 . 1 . . . . 6 LYS H . 25370 1 75 . 1 1 6 6 LYS HA H 1 4.23 0.01 . 1 . . . . 6 LYS HA . 25370 1 76 . 1 1 6 6 LYS HB2 H 1 1.7 0.01 . 2 . . . . 6 LYS HB2 . 25370 1 77 . 1 1 6 6 LYS HB3 H 1 1.7 0.01 . 2 . . . . 6 LYS HB3 . 25370 1 78 . 1 1 6 6 LYS HD2 H 1 1.64 0.01 . 2 . . . . 6 LYS HD2 . 25370 1 79 . 1 1 6 6 LYS HD3 H 1 1.64 0.01 . 2 . . . . 6 LYS HD3 . 25370 1 80 . 1 1 6 6 LYS HE2 H 1 2.9 0.01 . 2 . . . . 6 LYS HE2 . 25370 1 81 . 1 1 6 6 LYS HE3 H 1 2.9 0.01 . 2 . . . . 6 LYS HE3 . 25370 1 82 . 1 1 6 6 LYS HG2 H 1 1.26 0.01 . 2 . . . . 6 LYS HG2 . 25370 1 83 . 1 1 6 6 LYS HG3 H 1 1.35 0.01 . 2 . . . . 6 LYS HG3 . 25370 1 84 . 1 1 6 6 LYS HZ1 H 1 7.59 0.01 . 1 . . . . 6 LYS HZ1 . 25370 1 85 . 1 1 6 6 LYS HZ2 H 1 7.59 0.01 . 1 . . . . 6 LYS HZ2 . 25370 1 86 . 1 1 6 6 LYS HZ3 H 1 7.59 0.01 . 1 . . . . 6 LYS HZ3 . 25370 1 87 . 1 1 6 6 LYS CA C 13 55.8 0.1 . 1 . . . . 6 LYS CA . 25370 1 88 . 1 1 6 6 LYS CB C 13 32.7 0.1 . 1 . . . . 6 LYS CB . 25370 1 89 . 1 1 6 6 LYS CD C 13 28.6 0.1 . 1 . . . . 6 LYS CD . 25370 1 90 . 1 1 6 6 LYS CE C 13 41.4 0.1 . 1 . . . . 6 LYS CE . 25370 1 91 . 1 1 6 6 LYS CG C 13 24.4 0.1 . 1 . . . . 6 LYS CG . 25370 1 92 . 1 1 7 7 ILE H H 1 8.1 0.01 . 1 . . . . 7 ILE H . 25370 1 93 . 1 1 7 7 ILE HA H 1 4.05 0.01 . 1 . . . . 7 ILE HA . 25370 1 94 . 1 1 7 7 ILE HB H 1 1.72 0.01 . 1 . . . . 7 ILE HB . 25370 1 95 . 1 1 7 7 ILE HD11 H 1 0.79 0.01 . 1 . . . . 7 ILE HD1 . 25370 1 96 . 1 1 7 7 ILE HD12 H 1 0.79 0.01 . 1 . . . . 7 ILE HD1 . 25370 1 97 . 1 1 7 7 ILE HD13 H 1 0.79 0.01 . 1 . . . . 7 ILE HD1 . 25370 1 98 . 1 1 7 7 ILE HG12 H 1 1.1 0.01 . 2 . . . . 7 ILE HG12 . 25370 1 99 . 1 1 7 7 ILE HG13 H 1 1.37 0.01 . 2 . . . . 7 ILE HG13 . 25370 1 100 . 1 1 7 7 ILE HG21 H 1 0.7 0.01 . 1 . . . . 7 ILE HG2 . 25370 1 101 . 1 1 7 7 ILE HG22 H 1 0.7 0.01 . 1 . . . . 7 ILE HG2 . 25370 1 102 . 1 1 7 7 ILE HG23 H 1 0.7 0.01 . 1 . . . . 7 ILE HG2 . 25370 1 103 . 1 1 7 7 ILE CA C 13 60.7 0.1 . 1 . . . . 7 ILE CA . 25370 1 104 . 1 1 7 7 ILE CB C 13 38.4 0.1 . 1 . . . . 7 ILE CB . 25370 1 105 . 1 1 7 7 ILE CD1 C 13 12.5 0.1 . 1 . . . . 7 ILE CD1 . 25370 1 106 . 1 1 7 7 ILE CG1 C 13 26.8 0.1 . 1 . . . . 7 ILE CG1 . 25370 1 107 . 1 1 7 7 ILE CG2 C 13 17 0.1 . 1 . . . . 7 ILE CG2 . 25370 1 108 . 1 1 8 8 PHE H H 1 8.31 0.01 . 1 . . . . 8 PHE H . 25370 1 109 . 1 1 8 8 PHE HA H 1 4.62 0.01 . 1 . . . . 8 PHE HA . 25370 1 110 . 1 1 8 8 PHE HB2 H 1 2.95 0.01 . 2 . . . . 8 PHE HB2 . 25370 1 111 . 1 1 8 8 PHE HB3 H 1 3.11 0.01 . 2 . . . . 8 PHE HB3 . 25370 1 112 . 1 1 8 8 PHE HD1 H 1 7.27 0.01 . 3 . . . . 8 PHE HD1 . 25370 1 113 . 1 1 8 8 PHE HD2 H 1 7.27 0.01 . 3 . . . . 8 PHE HD2 . 25370 1 114 . 1 1 8 8 PHE HZ H 1 7.19 0.01 . 1 . . . . 8 PHE HZ . 25370 1 115 . 1 1 8 8 PHE CA C 13 56.9 0.1 . 1 . . . . 8 PHE CA . 25370 1 116 . 1 1 8 8 PHE CB C 13 39.3 0.1 . 1 . . . . 8 PHE CB . 25370 1 117 . 1 1 9 9 LYS H H 1 8.2 0.01 . 1 . . . . 9 LYS H . 25370 1 118 . 1 1 9 9 LYS HA H 1 4.25 0.01 . 1 . . . . 9 LYS HA . 25370 1 119 . 1 1 9 9 LYS HB2 H 1 1.78 0.01 . 2 . . . . 9 LYS HB2 . 25370 1 120 . 1 1 9 9 LYS HB3 H 1 1.78 0.01 . 2 . . . . 9 LYS HB3 . 25370 1 121 . 1 1 9 9 LYS HE2 H 1 2.95 0.01 . 2 . . . . 9 LYS HE2 . 25370 1 122 . 1 1 9 9 LYS HE3 H 1 2.95 0.01 . 2 . . . . 9 LYS HE3 . 25370 1 123 . 1 1 9 9 LYS HG2 H 1 1.36 0.01 . 2 . . . . 9 LYS HG2 . 25370 1 124 . 1 1 9 9 LYS HG3 H 1 1.36 0.01 . 2 . . . . 9 LYS HG3 . 25370 1 125 . 1 1 9 9 LYS CA C 13 55.5 0.1 . 1 . . . . 9 LYS CA . 25370 1 126 . 1 1 9 9 LYS CB C 13 32.8 0.1 . 1 . . . . 9 LYS CB . 25370 1 127 . 1 1 9 9 LYS CE C 13 41.3 0.1 . 1 . . . . 9 LYS CE . 25370 1 128 . 1 1 9 9 LYS CG C 13 24.2 0.1 . 1 . . . . 9 LYS CG . 25370 1 129 . 1 1 10 10 LYS H H 1 8.3 0.01 . 1 . . . . 10 LYS H . 25370 1 130 . 1 1 10 10 LYS HA H 1 4.45 0.01 . 1 . . . . 10 LYS HA . 25370 1 131 . 1 1 10 10 LYS HB2 H 1 1.72 0.01 . 2 . . . . 10 LYS HB2 . 25370 1 132 . 1 1 10 10 LYS HB3 H 1 1.82 0.01 . 2 . . . . 10 LYS HB3 . 25370 1 133 . 1 1 10 10 LYS HD2 H 1 1.69 0.01 . 2 . . . . 10 LYS HD2 . 25370 1 134 . 1 1 10 10 LYS HD3 H 1 1.69 0.01 . 2 . . . . 10 LYS HD3 . 25370 1 135 . 1 1 10 10 LYS HE2 H 1 2.98 0.01 . 2 . . . . 10 LYS HE2 . 25370 1 136 . 1 1 10 10 LYS HE3 H 1 2.98 0.01 . 2 . . . . 10 LYS HE3 . 25370 1 137 . 1 1 10 10 LYS HG2 H 1 1.46 0.01 . 2 . . . . 10 LYS HG2 . 25370 1 138 . 1 1 10 10 LYS HG3 H 1 1.46 0.01 . 2 . . . . 10 LYS HG3 . 25370 1 139 . 1 1 10 10 LYS CA C 13 54.1 0.1 . 1 . . . . 10 LYS CA . 25370 1 140 . 1 1 10 10 LYS CB C 13 32.1 0.1 . 1 . . . . 10 LYS CB . 25370 1 141 . 1 1 10 10 LYS CD C 13 28.8 0.1 . 1 . . . . 10 LYS CD . 25370 1 142 . 1 1 10 10 LYS CE C 13 41.3 0.1 . 1 . . . . 10 LYS CE . 25370 1 143 . 1 1 10 10 LYS CG C 13 24.3 0.1 . 1 . . . . 10 LYS CG . 25370 1 144 . 1 1 11 11 PRO HA H 1 4.42 0.01 . 1 . . . . 11 PRO HA . 25370 1 145 . 1 1 11 11 PRO HB2 H 1 1.86 0.01 . 2 . . . . 11 PRO HB2 . 25370 1 146 . 1 1 11 11 PRO HB3 H 1 2.27 0.01 . 2 . . . . 11 PRO HB3 . 25370 1 147 . 1 1 11 11 PRO HD2 H 1 3.63 0.01 . 2 . . . . 11 PRO HD2 . 25370 1 148 . 1 1 11 11 PRO HD3 H 1 3.87 0.01 . 2 . . . . 11 PRO HD3 . 25370 1 149 . 1 1 11 11 PRO HG2 H 1 1.99 0.01 . 2 . . . . 11 PRO HG2 . 25370 1 150 . 1 1 11 11 PRO HG3 H 1 2.02 0.01 . 2 . . . . 11 PRO HG3 . 25370 1 151 . 1 1 11 11 PRO CA C 13 62.8 0.1 . 1 . . . . 11 PRO CA . 25370 1 152 . 1 1 11 11 PRO CB C 13 31.6 0.1 . 1 . . . . 11 PRO CB . 25370 1 153 . 1 1 11 11 PRO CD C 13 50.2 0.1 . 1 . . . . 11 PRO CD . 25370 1 154 . 1 1 11 11 PRO CG C 13 27 0.1 . 1 . . . . 11 PRO CG . 25370 1 155 . 1 1 12 12 MET H H 1 8.45 0.01 . 1 . . . . 12 MET H . 25370 1 156 . 1 1 12 12 MET HA H 1 4.47 0.01 . 1 . . . . 12 MET HA . 25370 1 157 . 1 1 12 12 MET HB2 H 1 1.98 0.01 . 2 . . . . 12 MET HB2 . 25370 1 158 . 1 1 12 12 MET HB3 H 1 1.98 0.01 . 2 . . . . 12 MET HB3 . 25370 1 159 . 1 1 12 12 MET HE1 H 1 2.02 0.01 . 1 . . . . 12 MET HE . 25370 1 160 . 1 1 12 12 MET HE2 H 1 2.02 0.01 . 1 . . . . 12 MET HE . 25370 1 161 . 1 1 12 12 MET HE3 H 1 2.02 0.01 . 1 . . . . 12 MET HE . 25370 1 162 . 1 1 12 12 MET HG2 H 1 2.48 0.01 . 2 . . . . 12 MET HG2 . 25370 1 163 . 1 1 12 12 MET HG3 H 1 2.52 0.01 . 2 . . . . 12 MET HG3 . 25370 1 164 . 1 1 12 12 MET CA C 13 55.1 0.1 . 1 . . . . 12 MET CA . 25370 1 165 . 1 1 12 12 MET CB C 13 33 0.1 . 1 . . . . 12 MET CB . 25370 1 166 . 1 1 12 12 MET CE C 13 16.6 0.1 . 1 . . . . 12 MET CE . 25370 1 167 . 1 1 12 12 MET CG C 13 31.6 0.1 . 1 . . . . 12 MET CG . 25370 1 168 . 1 1 13 13 VAL H H 1 8.21 0.01 . 1 . . . . 13 VAL H . 25370 1 169 . 1 1 13 13 VAL HA H 1 4.15 0.01 . 1 . . . . 13 VAL HA . 25370 1 170 . 1 1 13 13 VAL HB H 1 2.04 0.01 . 1 . . . . 13 VAL HB . 25370 1 171 . 1 1 13 13 VAL HG11 H 1 0.88 0.01 . 2 . . . . 13 VAL HG1 . 25370 1 172 . 1 1 13 13 VAL HG12 H 1 0.88 0.01 . 2 . . . . 13 VAL HG1 . 25370 1 173 . 1 1 13 13 VAL HG13 H 1 0.88 0.01 . 2 . . . . 13 VAL HG1 . 25370 1 174 . 1 1 13 13 VAL HG21 H 1 0.88 0.01 . 2 . . . . 13 VAL HG2 . 25370 1 175 . 1 1 13 13 VAL HG22 H 1 0.88 0.01 . 2 . . . . 13 VAL HG2 . 25370 1 176 . 1 1 13 13 VAL HG23 H 1 0.88 0.01 . 2 . . . . 13 VAL HG2 . 25370 1 177 . 1 1 13 13 VAL CA C 13 61.6 0.1 . 1 . . . . 13 VAL CA . 25370 1 178 . 1 1 13 13 VAL CB C 13 32.6 0.1 . 1 . . . . 13 VAL CB . 25370 1 179 . 1 1 13 13 VAL CG1 C 13 20 0.1 . 1 . . . . 13 VAL CG1 . 25370 1 180 . 1 1 13 13 VAL CG2 C 13 20.8 0.1 . 1 . . . . 13 VAL CG2 . 25370 1 181 . 1 1 14 14 ILE H H 1 8.33 0.01 . 1 . . . . 14 ILE H . 25370 1 182 . 1 1 14 14 ILE HA H 1 4.12 0.01 . 1 . . . . 14 ILE HA . 25370 1 183 . 1 1 14 14 ILE HB H 1 1.9 0.01 . 1 . . . . 14 ILE HB . 25370 1 184 . 1 1 14 14 ILE HD11 H 1 0.86 0.01 . 1 . . . . 14 ILE HD1 . 25370 1 185 . 1 1 14 14 ILE HD12 H 1 0.86 0.01 . 1 . . . . 14 ILE HD1 . 25370 1 186 . 1 1 14 14 ILE HD13 H 1 0.86 0.01 . 1 . . . . 14 ILE HD1 . 25370 1 187 . 1 1 14 14 ILE HG12 H 1 1.17 0.01 . 2 . . . . 14 ILE HG12 . 25370 1 188 . 1 1 14 14 ILE HG13 H 1 1.53 0.01 . 2 . . . . 14 ILE HG13 . 25370 1 189 . 1 1 14 14 ILE HG21 H 1 0.92 0.01 . 1 . . . . 14 ILE HG2 . 25370 1 190 . 1 1 14 14 ILE HG22 H 1 0.92 0.01 . 1 . . . . 14 ILE HG2 . 25370 1 191 . 1 1 14 14 ILE HG23 H 1 0.92 0.01 . 1 . . . . 14 ILE HG2 . 25370 1 192 . 1 1 14 14 ILE CA C 13 60.8 0.1 . 1 . . . . 14 ILE CA . 25370 1 193 . 1 1 14 14 ILE CB C 13 38.2 0.1 . 1 . . . . 14 ILE CB . 25370 1 194 . 1 1 14 14 ILE CD1 C 13 12.6 0.1 . 1 . . . . 14 ILE CD1 . 25370 1 195 . 1 1 14 14 ILE CG1 C 13 27 0.1 . 1 . . . . 14 ILE CG1 . 25370 1 196 . 1 1 14 14 ILE CG2 C 13 17.3 0.1 . 1 . . . . 14 ILE CG2 . 25370 1 197 . 1 1 15 15 GLY H H 1 8.51 0.01 . 1 . . . . 15 GLY H . 25370 1 198 . 1 1 15 15 GLY HA2 H 1 3.92 0.01 . 2 . . . . 15 GLY HA2 . 25370 1 199 . 1 1 15 15 GLY HA3 H 1 3.92 0.01 . 2 . . . . 15 GLY HA3 . 25370 1 200 . 1 1 15 15 GLY CA C 13 45 0.1 . 1 . . . . 15 GLY CA . 25370 1 201 . 1 1 16 16 VAL H H 1 7.82 0.01 . 1 . . . . 16 VAL H . 25370 1 202 . 1 1 16 16 VAL HA H 1 4.23 0.01 . 1 . . . . 16 VAL HA . 25370 1 203 . 1 1 16 16 VAL HB H 1 2.08 0.01 . 1 . . . . 16 VAL HB . 25370 1 204 . 1 1 16 16 VAL HG11 H 1 0.9 0.01 . 2 . . . . 16 VAL HG1 . 25370 1 205 . 1 1 16 16 VAL HG12 H 1 0.9 0.01 . 2 . . . . 16 VAL HG1 . 25370 1 206 . 1 1 16 16 VAL HG13 H 1 0.9 0.01 . 2 . . . . 16 VAL HG1 . 25370 1 207 . 1 1 16 16 VAL HG21 H 1 0.91 0.01 . 2 . . . . 16 VAL HG2 . 25370 1 208 . 1 1 16 16 VAL HG22 H 1 0.91 0.01 . 2 . . . . 16 VAL HG2 . 25370 1 209 . 1 1 16 16 VAL HG23 H 1 0.91 0.01 . 2 . . . . 16 VAL HG2 . 25370 1 210 . 1 1 16 16 VAL CA C 13 61.2 0.1 . 1 . . . . 16 VAL CA . 25370 1 211 . 1 1 16 16 VAL CB C 13 32.9 0.1 . 1 . . . . 16 VAL CB . 25370 1 212 . 1 1 16 16 VAL CG1 C 13 20.3 0.1 . 1 . . . . 16 VAL CG1 . 25370 1 213 . 1 1 16 16 VAL CG2 C 13 20.9 0.1 . 1 . . . . 16 VAL CG2 . 25370 1 214 . 1 1 17 17 THR H H 1 8.3 0.01 . 1 . . . . 17 THR H . 25370 1 215 . 1 1 17 17 THR HA H 1 4.33 0.01 . 1 . . . . 17 THR HA . 25370 1 216 . 1 1 17 17 THR HB H 1 4.05 0.01 . 1 . . . . 17 THR HB . 25370 1 217 . 1 1 17 17 THR HG21 H 1 1.11 0.01 . 1 . . . . 17 THR HG2 . 25370 1 218 . 1 1 17 17 THR HG22 H 1 1.11 0.01 . 1 . . . . 17 THR HG2 . 25370 1 219 . 1 1 17 17 THR HG23 H 1 1.11 0.01 . 1 . . . . 17 THR HG2 . 25370 1 220 . 1 1 17 17 THR CA C 13 61.4 0.1 . 1 . . . . 17 THR CA . 25370 1 221 . 1 1 17 17 THR CB C 13 69.2 0.1 . 1 . . . . 17 THR CB . 25370 1 222 . 1 1 17 17 THR CG2 C 13 21.1 0.1 . 1 . . . . 17 THR CG2 . 25370 1 223 . 1 1 18 18 ILE H H 1 8.29 0.01 . 1 . . . . 18 ILE H . 25370 1 224 . 1 1 18 18 ILE HA H 1 4.33 0.01 . 1 . . . . 18 ILE HA . 25370 1 225 . 1 1 18 18 ILE HB H 1 1.85 0.01 . 1 . . . . 18 ILE HB . 25370 1 226 . 1 1 18 18 ILE HD11 H 1 0.83 0.01 . 1 . . . . 18 ILE HD1 . 25370 1 227 . 1 1 18 18 ILE HD12 H 1 0.83 0.01 . 1 . . . . 18 ILE HD1 . 25370 1 228 . 1 1 18 18 ILE HD13 H 1 0.83 0.01 . 1 . . . . 18 ILE HD1 . 25370 1 229 . 1 1 18 18 ILE HG12 H 1 1.17 0.01 . 2 . . . . 18 ILE HG12 . 25370 1 230 . 1 1 18 18 ILE HG13 H 1 1.53 0.01 . 2 . . . . 18 ILE HG13 . 25370 1 231 . 1 1 18 18 ILE HG21 H 1 0.83 0.01 . 1 . . . . 18 ILE HG2 . 25370 1 232 . 1 1 18 18 ILE HG22 H 1 0.83 0.01 . 1 . . . . 18 ILE HG2 . 25370 1 233 . 1 1 18 18 ILE HG23 H 1 0.83 0.01 . 1 . . . . 18 ILE HG2 . 25370 1 234 . 1 1 18 18 ILE CA C 13 57.9 0.1 . 1 . . . . 18 ILE CA . 25370 1 235 . 1 1 18 18 ILE CB C 13 37.9 0.1 . 1 . . . . 18 ILE CB . 25370 1 236 . 1 1 18 18 ILE CD1 C 13 12.2 0.1 . 1 . . . . 18 ILE CD1 . 25370 1 237 . 1 1 18 18 ILE CG1 C 13 26.8 0.1 . 1 . . . . 18 ILE CG1 . 25370 1 238 . 1 1 18 18 ILE CG2 C 13 17 0.1 . 1 . . . . 18 ILE CG2 . 25370 1 239 . 1 1 19 19 PRO HA H 1 4.42 0.01 . 1 . . . . 19 PRO HA . 25370 1 240 . 1 1 19 19 PRO HB2 H 1 1.83 0.01 . 2 . . . . 19 PRO HB2 . 25370 1 241 . 1 1 19 19 PRO HB3 H 1 2.08 0.01 . 2 . . . . 19 PRO HB3 . 25370 1 242 . 1 1 19 19 PRO HD2 H 1 3.45 0.01 . 2 . . . . 19 PRO HD2 . 25370 1 243 . 1 1 19 19 PRO HD3 H 1 3.87 0.01 . 2 . . . . 19 PRO HD3 . 25370 1 244 . 1 1 19 19 PRO HG2 H 1 1.77 0.01 . 2 . . . . 19 PRO HG2 . 25370 1 245 . 1 1 19 19 PRO HG3 H 1 1.92 0.01 . 2 . . . . 19 PRO HG3 . 25370 1 246 . 1 1 19 19 PRO CA C 13 62.8 0.1 . 1 . . . . 19 PRO CA . 25370 1 247 . 1 1 19 19 PRO CB C 13 30.8 0.1 . 1 . . . . 19 PRO CB . 25370 1 248 . 1 1 19 19 PRO CD C 13 50.3 0.1 . 1 . . . . 19 PRO CD . 25370 1 249 . 1 1 19 19 PRO CG C 13 26.7 0.1 . 1 . . . . 19 PRO CG . 25370 1 250 . 1 1 20 20 PHE H H 1 7.7 0.01 . 1 . . . . 20 PHE H . 25370 1 251 . 1 1 20 20 PHE HA H 1 4.57 0.01 . 1 . . . . 20 PHE HA . 25370 1 252 . 1 1 20 20 PHE HB2 H 1 3.02 0.01 . 2 . . . . 20 PHE HB2 . 25370 1 253 . 1 1 20 20 PHE HB3 H 1 3.16 0.01 . 2 . . . . 20 PHE HB3 . 25370 1 254 . 1 1 20 20 PHE HD1 H 1 7.24 0.01 . 3 . . . . 20 PHE HD1 . 25370 1 255 . 1 1 20 20 PHE HD2 H 1 7.24 0.01 . 3 . . . . 20 PHE HD2 . 25370 1 256 . 1 1 20 20 PHE CA C 13 56.5 0.1 . 1 . . . . 20 PHE CA . 25370 1 257 . 1 1 20 20 PHE CB C 13 39.5 0.1 . 1 . . . . 20 PHE CB . 25370 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_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 25370 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _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 'Chemical shifts at 308K' _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 4 '2D 1H-1H COSY' 1 $sample_1 isotropic 25370 2 5 '2D 1H-1H TOCSY' 1 $sample_1 isotropic 25370 2 6 '2D 1H-1H NOESY' 1 $sample_1 isotropic 25370 2 12 '2D 1H-1H COSY' 2 $sample_2 isotropic 25370 2 13 '2D 1H-1H TOCSY' 2 $sample_2 isotropic 25370 2 14 '2D 1H-1H NOESY' 2 $sample_2 isotropic 25370 2 15 '2D 1H-13C HSQC aliphatic' 2 $sample_2 isotropic 25370 2 16 '2D 1H-13C HSQC aromatic' 2 $sample_2 isotropic 25370 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 $SPARKY . . 25370 2 2 $TOPSPIN . . 25370 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 LYS HA H 1 4.02 0.01 . 1 . . . . 1 LYS HA . 25370 2 2 . 1 1 1 1 LYS HB2 H 1 1.89 0.01 . 2 . . . . 1 LYS HB2 . 25370 2 3 . 1 1 1 1 LYS HB3 H 1 1.89 0.01 . 2 . . . . 1 LYS HB3 . 25370 2 4 . 1 1 1 1 LYS HD2 H 1 1.7 0.01 . 2 . . . . 1 LYS HD2 . 25370 2 5 . 1 1 1 1 LYS HD3 H 1 1.7 0.01 . 2 . . . . 1 LYS HD3 . 25370 2 6 . 1 1 1 1 LYS HE2 H 1 2.98 0.01 . 2 . . . . 1 LYS HE2 . 25370 2 7 . 1 1 1 1 LYS HE3 H 1 2.98 0.01 . 2 . . . . 1 LYS HE3 . 25370 2 8 . 1 1 1 1 LYS HG2 H 1 1.44 0.01 . 2 . . . . 1 LYS HG2 . 25370 2 9 . 1 1 1 1 LYS HG3 H 1 1.44 0.01 . 2 . . . . 1 LYS HG3 . 25370 2 10 . 1 1 1 1 LYS HZ1 H 1 7.62 0.01 . 1 . . . . 1 LYS HZ1 . 25370 2 11 . 1 1 1 1 LYS HZ2 H 1 7.62 0.01 . 1 . . . . 1 LYS HZ2 . 25370 2 12 . 1 1 1 1 LYS HZ3 H 1 7.62 0.01 . 1 . . . . 1 LYS HZ3 . 25370 2 13 . 1 1 1 1 LYS CA C 13 55 0.1 . 1 . . . . 1 LYS CA . 25370 2 14 . 1 1 1 1 LYS CB C 13 32.7 0.1 . 1 . . . . 1 LYS CB . 25370 2 15 . 1 1 1 1 LYS CD C 13 28.6 0.1 . 1 . . . . 1 LYS CD . 25370 2 16 . 1 1 1 1 LYS CE C 13 41.2 0.1 . 1 . . . . 1 LYS CE . 25370 2 17 . 1 1 1 1 LYS CG C 13 23.5 0.1 . 1 . . . . 1 LYS CG . 25370 2 18 . 1 1 2 2 LYS H H 1 8.7 0.01 . 1 . . . . 2 LYS H . 25370 2 19 . 1 1 2 2 LYS HA H 1 4.34 0.01 . 1 . . . . 2 LYS HA . 25370 2 20 . 1 1 2 2 LYS HB2 H 1 1.75 0.01 . 2 . . . . 2 LYS HB2 . 25370 2 21 . 1 1 2 2 LYS HB3 H 1 1.75 0.01 . 2 . . . . 2 LYS HB3 . 25370 2 22 . 1 1 2 2 LYS HE2 H 1 2.97 0.01 . 2 . . . . 2 LYS HE2 . 25370 2 23 . 1 1 2 2 LYS HE3 H 1 2.97 0.01 . 2 . . . . 2 LYS HE3 . 25370 2 24 . 1 1 2 2 LYS HG2 H 1 1.4 0.01 . 2 . . . . 2 LYS HG2 . 25370 2 25 . 1 1 2 2 LYS HG3 H 1 1.45 0.01 . 2 . . . . 2 LYS HG3 . 25370 2 26 . 1 1 2 2 LYS CA C 13 55.8 0.1 . 1 . . . . 2 LYS CA . 25370 2 27 . 1 1 2 2 LYS CB C 13 32.8 0.1 . 1 . . . . 2 LYS CB . 25370 2 28 . 1 1 2 2 LYS CG C 13 24.3 0.1 . 1 . . . . 2 LYS CG . 25370 2 29 . 1 1 3 3 ARG H H 1 8.54 0.01 . 1 . . . . 3 ARG H . 25370 2 30 . 1 1 3 3 ARG HA H 1 4.34 0.01 . 1 . . . . 3 ARG HA . 25370 2 31 . 1 1 3 3 ARG HB2 H 1 1.76 0.01 . 2 . . . . 3 ARG HB2 . 25370 2 32 . 1 1 3 3 ARG HB3 H 1 1.8 0.01 . 2 . . . . 3 ARG HB3 . 25370 2 33 . 1 1 3 3 ARG HD2 H 1 3.18 0.01 . 2 . . . . 3 ARG HD2 . 25370 2 34 . 1 1 3 3 ARG HD3 H 1 3.18 0.01 . 2 . . . . 3 ARG HD3 . 25370 2 35 . 1 1 3 3 ARG HE H 1 7.28 0.01 . 1 . . . . 3 ARG HE . 25370 2 36 . 1 1 3 3 ARG HG2 H 1 1.6 0.01 . 2 . . . . 3 ARG HG2 . 25370 2 37 . 1 1 3 3 ARG HG3 H 1 1.65 0.01 . 2 . . . . 3 ARG HG3 . 25370 2 38 . 1 1 3 3 ARG CA C 13 55.5 0.1 . 1 . . . . 3 ARG CA . 25370 2 39 . 1 1 3 3 ARG CB C 13 30.6 0.1 . 1 . . . . 3 ARG CB . 25370 2 40 . 1 1 3 3 ARG CD C 13 42.8 0.1 . 1 . . . . 3 ARG CD . 25370 2 41 . 1 1 3 3 ARG CG C 13 26.8 0.1 . 1 . . . . 3 ARG CG . 25370 2 42 . 1 1 4 4 LEU H H 1 8.37 0.01 . 1 . . . . 4 LEU H . 25370 2 43 . 1 1 4 4 LEU HA H 1 4.32 0.01 . 1 . . . . 4 LEU HA . 25370 2 44 . 1 1 4 4 LEU HB2 H 1 1.57 0.01 . 2 . . . . 4 LEU HB2 . 25370 2 45 . 1 1 4 4 LEU HB3 H 1 1.64 0.01 . 2 . . . . 4 LEU HB3 . 25370 2 46 . 1 1 4 4 LEU HD11 H 1 0.87 0.01 . 2 . . . . 4 LEU HD1 . 25370 2 47 . 1 1 4 4 LEU HD12 H 1 0.87 0.01 . 2 . . . . 4 LEU HD1 . 25370 2 48 . 1 1 4 4 LEU HD13 H 1 0.87 0.01 . 2 . . . . 4 LEU HD1 . 25370 2 49 . 1 1 4 4 LEU HD21 H 1 0.92 0.01 . 2 . . . . 4 LEU HD2 . 25370 2 50 . 1 1 4 4 LEU HD22 H 1 0.92 0.01 . 2 . . . . 4 LEU HD2 . 25370 2 51 . 1 1 4 4 LEU HD23 H 1 0.92 0.01 . 2 . . . . 4 LEU HD2 . 25370 2 52 . 1 1 4 4 LEU HG H 1 1.64 0.01 . 1 . . . . 4 LEU HG . 25370 2 53 . 1 1 4 4 LEU CA C 13 54.8 0.1 . 1 . . . . 4 LEU CA . 25370 2 54 . 1 1 4 4 LEU CB C 13 42 0.1 . 1 . . . . 4 LEU CB . 25370 2 55 . 1 1 4 4 LEU CD1 C 13 23.4 0.1 . 1 . . . . 4 LEU CD1 . 25370 2 56 . 1 1 4 4 LEU CD2 C 13 24.6 0.1 . 1 . . . . 4 LEU CD2 . 25370 2 57 . 1 1 4 4 LEU CG C 13 26.6 0.1 . 1 . . . . 4 LEU CG . 25370 2 58 . 1 1 5 5 LYS H H 1 8.23 0.01 . 1 . . . . 5 LYS H . 25370 2 59 . 1 1 5 5 LYS HA H 1 4.25 0.01 . 1 . . . . 5 LYS HA . 25370 2 60 . 1 1 5 5 LYS HB2 H 1 1.72 0.01 . 2 . . . . 5 LYS HB2 . 25370 2 61 . 1 1 5 5 LYS HB3 H 1 1.77 0.01 . 2 . . . . 5 LYS HB3 . 25370 2 62 . 1 1 5 5 LYS HE2 H 1 2.96 0.01 . 2 . . . . 5 LYS HE2 . 25370 2 63 . 1 1 5 5 LYS HE3 H 1 2.96 0.01 . 2 . . . . 5 LYS HE3 . 25370 2 64 . 1 1 5 5 LYS HG2 H 1 1.36 0.01 . 2 . . . . 5 LYS HG2 . 25370 2 65 . 1 1 5 5 LYS HG3 H 1 1.43 0.01 . 2 . . . . 5 LYS HG3 . 25370 2 66 . 1 1 5 5 LYS CA C 13 56 0.1 . 1 . . . . 5 LYS CA . 25370 2 67 . 1 1 5 5 LYS CB C 13 33 0.1 . 1 . . . . 5 LYS CB . 25370 2 68 . 1 1 5 5 LYS CG C 13 24.5 0.1 . 1 . . . . 5 LYS CG . 25370 2 69 . 1 1 6 6 LYS H H 1 8.13 0.01 . 1 . . . . 6 LYS H . 25370 2 70 . 1 1 6 6 LYS HA H 1 4.24 0.01 . 1 . . . . 6 LYS HA . 25370 2 71 . 1 1 6 6 LYS HB2 H 1 1.69 0.01 . 2 . . . . 6 LYS HB2 . 25370 2 72 . 1 1 6 6 LYS HB3 H 1 1.69 0.01 . 2 . . . . 6 LYS HB3 . 25370 2 73 . 1 1 6 6 LYS HD2 H 1 1.65 0.01 . 2 . . . . 6 LYS HD2 . 25370 2 74 . 1 1 6 6 LYS HD3 H 1 1.65 0.01 . 2 . . . . 6 LYS HD3 . 25370 2 75 . 1 1 6 6 LYS HE2 H 1 2.92 0.01 . 2 . . . . 6 LYS HE2 . 25370 2 76 . 1 1 6 6 LYS HE3 H 1 2.92 0.01 . 2 . . . . 6 LYS HE3 . 25370 2 77 . 1 1 6 6 LYS HG2 H 1 1.27 0.01 . 2 . . . . 6 LYS HG2 . 25370 2 78 . 1 1 6 6 LYS HG3 H 1 1.35 0.01 . 2 . . . . 6 LYS HG3 . 25370 2 79 . 1 1 6 6 LYS HZ1 H 1 7.57 0.01 . 1 . . . . 6 LYS HZ1 . 25370 2 80 . 1 1 6 6 LYS HZ2 H 1 7.57 0.01 . 1 . . . . 6 LYS HZ2 . 25370 2 81 . 1 1 6 6 LYS HZ3 H 1 7.57 0.01 . 1 . . . . 6 LYS HZ3 . 25370 2 82 . 1 1 6 6 LYS CA C 13 55.9 0.1 . 1 . . . . 6 LYS CA . 25370 2 83 . 1 1 6 6 LYS CB C 13 32.6 0.1 . 1 . . . . 6 LYS CB . 25370 2 84 . 1 1 6 6 LYS CD C 13 28.5 0.1 . 1 . . . . 6 LYS CD . 25370 2 85 . 1 1 6 6 LYS CE C 13 41.3 0.1 . 1 . . . . 6 LYS CE . 25370 2 86 . 1 1 6 6 LYS CG C 13 24.4 0.1 . 1 . . . . 6 LYS CG . 25370 2 87 . 1 1 7 7 ILE H H 1 8.01 0.01 . 1 . . . . 7 ILE H . 25370 2 88 . 1 1 7 7 ILE HA H 1 4.05 0.01 . 1 . . . . 7 ILE HA . 25370 2 89 . 1 1 7 7 ILE HB H 1 1.73 0.01 . 1 . . . . 7 ILE HB . 25370 2 90 . 1 1 7 7 ILE HD11 H 1 0.78 0.01 . 1 . . . . 7 ILE HD1 . 25370 2 91 . 1 1 7 7 ILE HD12 H 1 0.78 0.01 . 1 . . . . 7 ILE HD1 . 25370 2 92 . 1 1 7 7 ILE HD13 H 1 0.78 0.01 . 1 . . . . 7 ILE HD1 . 25370 2 93 . 1 1 7 7 ILE HG12 H 1 1.1 0.01 . 2 . . . . 7 ILE HG12 . 25370 2 94 . 1 1 7 7 ILE HG13 H 1 1.36 0.01 . 2 . . . . 7 ILE HG13 . 25370 2 95 . 1 1 7 7 ILE HG21 H 1 0.69 0.01 . 1 . . . . 7 ILE HG2 . 25370 2 96 . 1 1 7 7 ILE HG22 H 1 0.69 0.01 . 1 . . . . 7 ILE HG2 . 25370 2 97 . 1 1 7 7 ILE HG23 H 1 0.69 0.01 . 1 . . . . 7 ILE HG2 . 25370 2 98 . 1 1 7 7 ILE CA C 13 60.7 0.1 . 1 . . . . 7 ILE CA . 25370 2 99 . 1 1 7 7 ILE CB C 13 38.4 0.1 . 1 . . . . 7 ILE CB . 25370 2 100 . 1 1 7 7 ILE CD1 C 13 12.6 0.1 . 1 . . . . 7 ILE CD1 . 25370 2 101 . 1 1 7 7 ILE CG1 C 13 26.8 0.1 . 1 . . . . 7 ILE CG1 . 25370 2 102 . 1 1 7 7 ILE CG2 C 13 17 0.1 . 1 . . . . 7 ILE CG2 . 25370 2 103 . 1 1 8 8 PHE H H 1 8.2 0.01 . 1 . . . . 8 PHE H . 25370 2 104 . 1 1 8 8 PHE HA H 1 4.62 0.01 . 1 . . . . 8 PHE HA . 25370 2 105 . 1 1 8 8 PHE HB2 H 1 2.95 0.01 . 2 . . . . 8 PHE HB2 . 25370 2 106 . 1 1 8 8 PHE HB3 H 1 3.14 0.01 . 2 . . . . 8 PHE HB3 . 25370 2 107 . 1 1 8 8 PHE HD1 H 1 7.27 0.01 . 3 . . . . 8 PHE HD1 . 25370 2 108 . 1 1 8 8 PHE HD2 H 1 7.27 0.01 . 3 . . . . 8 PHE HD2 . 25370 2 109 . 1 1 8 8 PHE HE1 H 1 7.25 0.01 . 3 . . . . 8 PHE HE1 . 25370 2 110 . 1 1 8 8 PHE HE2 H 1 7.25 0.01 . 3 . . . . 8 PHE HE2 . 25370 2 111 . 1 1 8 8 PHE HZ H 1 7.18 0.01 . 1 . . . . 8 PHE HZ . 25370 2 112 . 1 1 8 8 PHE CA C 13 56.9 0.1 . 1 . . . . 8 PHE CA . 25370 2 113 . 1 1 8 8 PHE CB C 13 39.3 0.1 . 1 . . . . 8 PHE CB . 25370 2 114 . 1 1 8 8 PHE CD1 C 13 132 0.1 . 1 . . . . 8 PHE CD1 . 25370 2 115 . 1 1 8 8 PHE CE1 C 13 131 0.1 . 1 . . . . 8 PHE CE1 . 25370 2 116 . 1 1 8 8 PHE CZ C 13 129.3 0.1 . 1 . . . . 8 PHE CZ . 25370 2 117 . 1 1 9 9 LYS H H 1 8.14 0.01 . 1 . . . . 9 LYS H . 25370 2 118 . 1 1 9 9 LYS HA H 1 4.26 0.01 . 1 . . . . 9 LYS HA . 25370 2 119 . 1 1 9 9 LYS HB2 H 1 1.77 0.01 . 2 . . . . 9 LYS HB2 . 25370 2 120 . 1 1 9 9 LYS HB3 H 1 1.77 0.01 . 2 . . . . 9 LYS HB3 . 25370 2 121 . 1 1 9 9 LYS HD2 H 1 1.67 0.01 . 2 . . . . 9 LYS HD2 . 25370 2 122 . 1 1 9 9 LYS HD3 H 1 1.67 0.01 . 2 . . . . 9 LYS HD3 . 25370 2 123 . 1 1 9 9 LYS HE2 H 1 2.96 0.01 . 2 . . . . 9 LYS HE2 . 25370 2 124 . 1 1 9 9 LYS HE3 H 1 2.96 0.01 . 2 . . . . 9 LYS HE3 . 25370 2 125 . 1 1 9 9 LYS HG2 H 1 1.36 0.01 . 2 . . . . 9 LYS HG2 . 25370 2 126 . 1 1 9 9 LYS HG3 H 1 1.36 0.01 . 2 . . . . 9 LYS HG3 . 25370 2 127 . 1 1 9 9 LYS HZ1 H 1 7.54 0.01 . 1 . . . . 9 LYS HZ1 . 25370 2 128 . 1 1 9 9 LYS HZ2 H 1 7.54 0.01 . 1 . . . . 9 LYS HZ2 . 25370 2 129 . 1 1 9 9 LYS HZ3 H 1 7.54 0.01 . 1 . . . . 9 LYS HZ3 . 25370 2 130 . 1 1 9 9 LYS CA C 13 55.6 0.1 . 1 . . . . 9 LYS CA . 25370 2 131 . 1 1 9 9 LYS CB C 13 32.8 0.1 . 1 . . . . 9 LYS CB . 25370 2 132 . 1 1 9 9 LYS CG C 13 24.1 0.1 . 1 . . . . 9 LYS CG . 25370 2 133 . 1 1 10 10 LYS H H 1 8.21 0.01 . 1 . . . . 10 LYS H . 25370 2 134 . 1 1 10 10 LYS HA H 1 4.47 0.01 . 1 . . . . 10 LYS HA . 25370 2 135 . 1 1 10 10 LYS HB2 H 1 1.72 0.01 . 2 . . . . 10 LYS HB2 . 25370 2 136 . 1 1 10 10 LYS HB3 H 1 1.82 0.01 . 2 . . . . 10 LYS HB3 . 25370 2 137 . 1 1 10 10 LYS HD2 H 1 1.7 0.01 . 2 . . . . 10 LYS HD2 . 25370 2 138 . 1 1 10 10 LYS HD3 H 1 1.7 0.01 . 2 . . . . 10 LYS HD3 . 25370 2 139 . 1 1 10 10 LYS HE2 H 1 2.97 0.01 . 2 . . . . 10 LYS HE2 . 25370 2 140 . 1 1 10 10 LYS HE3 H 1 2.97 0.01 . 2 . . . . 10 LYS HE3 . 25370 2 141 . 1 1 10 10 LYS HG2 H 1 1.46 0.01 . 2 . . . . 10 LYS HG2 . 25370 2 142 . 1 1 10 10 LYS HG3 H 1 1.46 0.01 . 2 . . . . 10 LYS HG3 . 25370 2 143 . 1 1 10 10 LYS HZ1 H 1 7.62 0.01 . 1 . . . . 10 LYS HZ1 . 25370 2 144 . 1 1 10 10 LYS HZ2 H 1 7.62 0.01 . 1 . . . . 10 LYS HZ2 . 25370 2 145 . 1 1 10 10 LYS HZ3 H 1 7.62 0.01 . 1 . . . . 10 LYS HZ3 . 25370 2 146 . 1 1 10 10 LYS CA C 13 54 0.1 . 1 . . . . 10 LYS CA . 25370 2 147 . 1 1 10 10 LYS CB C 13 32.2 0.1 . 1 . . . . 10 LYS CB . 25370 2 148 . 1 1 10 10 LYS CD C 13 28.8 0.1 . 1 . . . . 10 LYS CD . 25370 2 149 . 1 1 10 10 LYS CE C 13 41.4 0.1 . 1 . . . . 10 LYS CE . 25370 2 150 . 1 1 10 10 LYS CG C 13 24.2 0.1 . 1 . . . . 10 LYS CG . 25370 2 151 . 1 1 11 11 PRO HA H 1 4.42 0.01 . 1 . . . . 11 PRO HA . 25370 2 152 . 1 1 11 11 PRO HB2 H 1 1.87 0.01 . 2 . . . . 11 PRO HB2 . 25370 2 153 . 1 1 11 11 PRO HB3 H 1 2.27 0.01 . 2 . . . . 11 PRO HB3 . 25370 2 154 . 1 1 11 11 PRO HD2 H 1 3.62 0.01 . 2 . . . . 11 PRO HD2 . 25370 2 155 . 1 1 11 11 PRO HD3 H 1 3.85 0.01 . 2 . . . . 11 PRO HD3 . 25370 2 156 . 1 1 11 11 PRO HG2 H 1 1.99 0.01 . 2 . . . . 11 PRO HG2 . 25370 2 157 . 1 1 11 11 PRO HG3 H 1 2.02 0.01 . 2 . . . . 11 PRO HG3 . 25370 2 158 . 1 1 11 11 PRO CA C 13 62.8 0.1 . 1 . . . . 11 PRO CA . 25370 2 159 . 1 1 11 11 PRO CB C 13 31.6 0.1 . 1 . . . . 11 PRO CB . 25370 2 160 . 1 1 11 11 PRO CD C 13 50.1 0.1 . 1 . . . . 11 PRO CD . 25370 2 161 . 1 1 11 11 PRO CG C 13 27 0.1 . 1 . . . . 11 PRO CG . 25370 2 162 . 1 1 12 12 MET H H 1 8.37 0.01 . 1 . . . . 12 MET H . 25370 2 163 . 1 1 12 12 MET HA H 1 4.47 0.01 . 1 . . . . 12 MET HA . 25370 2 164 . 1 1 12 12 MET HB2 H 1 1.99 0.01 . 2 . . . . 12 MET HB2 . 25370 2 165 . 1 1 12 12 MET HB3 H 1 1.99 0.01 . 2 . . . . 12 MET HB3 . 25370 2 166 . 1 1 12 12 MET HE1 H 1 2.02 0.01 . 1 . . . . 12 MET HE . 25370 2 167 . 1 1 12 12 MET HE2 H 1 2.02 0.01 . 1 . . . . 12 MET HE . 25370 2 168 . 1 1 12 12 MET HE3 H 1 2.02 0.01 . 1 . . . . 12 MET HE . 25370 2 169 . 1 1 12 12 MET HG2 H 1 2.49 0.01 . 2 . . . . 12 MET HG2 . 25370 2 170 . 1 1 12 12 MET HG3 H 1 2.53 0.01 . 2 . . . . 12 MET HG3 . 25370 2 171 . 1 1 12 12 MET CA C 13 55.1 0.1 . 1 . . . . 12 MET CA . 25370 2 172 . 1 1 12 12 MET CB C 13 33 0.1 . 1 . . . . 12 MET CB . 25370 2 173 . 1 1 12 12 MET CE C 13 16.6 0.1 . 1 . . . . 12 MET CE . 25370 2 174 . 1 1 12 12 MET CG C 13 31.6 0.1 . 1 . . . . 12 MET CG . 25370 2 175 . 1 1 13 13 VAL H H 1 8.13 0.01 . 1 . . . . 13 VAL H . 25370 2 176 . 1 1 13 13 VAL HA H 1 4.15 0.01 . 1 . . . . 13 VAL HA . 25370 2 177 . 1 1 13 13 VAL HB H 1 2.04 0.01 . 1 . . . . 13 VAL HB . 25370 2 178 . 1 1 13 13 VAL HG11 H 1 0.88 0.01 . 2 . . . . 13 VAL HG1 . 25370 2 179 . 1 1 13 13 VAL HG12 H 1 0.88 0.01 . 2 . . . . 13 VAL HG1 . 25370 2 180 . 1 1 13 13 VAL HG13 H 1 0.88 0.01 . 2 . . . . 13 VAL HG1 . 25370 2 181 . 1 1 13 13 VAL HG21 H 1 0.89 0.01 . 2 . . . . 13 VAL HG2 . 25370 2 182 . 1 1 13 13 VAL HG22 H 1 0.89 0.01 . 2 . . . . 13 VAL HG2 . 25370 2 183 . 1 1 13 13 VAL HG23 H 1 0.89 0.01 . 2 . . . . 13 VAL HG2 . 25370 2 184 . 1 1 13 13 VAL CA C 13 61.6 0.1 . 1 . . . . 13 VAL CA . 25370 2 185 . 1 1 13 13 VAL CB C 13 32.6 0.1 . 1 . . . . 13 VAL CB . 25370 2 186 . 1 1 13 13 VAL CG1 C 13 20 0.1 . 1 . . . . 13 VAL CG1 . 25370 2 187 . 1 1 13 13 VAL CG2 C 13 20.8 0.1 . 1 . . . . 13 VAL CG2 . 25370 2 188 . 1 1 14 14 ILE H H 1 8.24 0.01 . 1 . . . . 14 ILE H . 25370 2 189 . 1 1 14 14 ILE HA H 1 4.13 0.01 . 1 . . . . 14 ILE HA . 25370 2 190 . 1 1 14 14 ILE HB H 1 1.9 0.01 . 1 . . . . 14 ILE HB . 25370 2 191 . 1 1 14 14 ILE HD11 H 1 0.85 0.01 . 1 . . . . 14 ILE HD1 . 25370 2 192 . 1 1 14 14 ILE HD12 H 1 0.85 0.01 . 1 . . . . 14 ILE HD1 . 25370 2 193 . 1 1 14 14 ILE HD13 H 1 0.85 0.01 . 1 . . . . 14 ILE HD1 . 25370 2 194 . 1 1 14 14 ILE HG12 H 1 1.17 0.01 . 2 . . . . 14 ILE HG12 . 25370 2 195 . 1 1 14 14 ILE HG13 H 1 1.52 0.01 . 2 . . . . 14 ILE HG13 . 25370 2 196 . 1 1 14 14 ILE HG21 H 1 0.92 0.01 . 1 . . . . 14 ILE HG2 . 25370 2 197 . 1 1 14 14 ILE HG22 H 1 0.92 0.01 . 1 . . . . 14 ILE HG2 . 25370 2 198 . 1 1 14 14 ILE HG23 H 1 0.92 0.01 . 1 . . . . 14 ILE HG2 . 25370 2 199 . 1 1 14 14 ILE CA C 13 60.7 0.1 . 1 . . . . 14 ILE CA . 25370 2 200 . 1 1 14 14 ILE CB C 13 38.2 0.1 . 1 . . . . 14 ILE CB . 25370 2 201 . 1 1 14 14 ILE CD1 C 13 12.6 0.1 . 1 . . . . 14 ILE CD1 . 25370 2 202 . 1 1 14 14 ILE CG1 C 13 27 0.1 . 1 . . . . 14 ILE CG1 . 25370 2 203 . 1 1 14 14 ILE CG2 C 13 17.3 0.1 . 1 . . . . 14 ILE CG2 . 25370 2 204 . 1 1 15 15 GLY H H 1 8.45 0.01 . 1 . . . . 15 GLY H . 25370 2 205 . 1 1 15 15 GLY HA2 H 1 3.92 0.01 . 2 . . . . 15 GLY HA2 . 25370 2 206 . 1 1 15 15 GLY HA3 H 1 3.92 0.01 . 2 . . . . 15 GLY HA3 . 25370 2 207 . 1 1 15 15 GLY CA C 13 45 0.1 . 1 . . . . 15 GLY CA . 25370 2 208 . 1 1 16 16 VAL H H 1 7.74 0.01 . 1 . . . . 16 VAL H . 25370 2 209 . 1 1 16 16 VAL HA H 1 4.23 0.01 . 1 . . . . 16 VAL HA . 25370 2 210 . 1 1 16 16 VAL HB H 1 2.08 0.01 . 1 . . . . 16 VAL HB . 25370 2 211 . 1 1 16 16 VAL HG11 H 1 0.89 0.01 . 2 . . . . 16 VAL HG1 . 25370 2 212 . 1 1 16 16 VAL HG12 H 1 0.89 0.01 . 2 . . . . 16 VAL HG1 . 25370 2 213 . 1 1 16 16 VAL HG13 H 1 0.89 0.01 . 2 . . . . 16 VAL HG1 . 25370 2 214 . 1 1 16 16 VAL HG21 H 1 0.9 0.01 . 2 . . . . 16 VAL HG2 . 25370 2 215 . 1 1 16 16 VAL HG22 H 1 0.9 0.01 . 2 . . . . 16 VAL HG2 . 25370 2 216 . 1 1 16 16 VAL HG23 H 1 0.9 0.01 . 2 . . . . 16 VAL HG2 . 25370 2 217 . 1 1 16 16 VAL CA C 13 61.1 0.1 . 1 . . . . 16 VAL CA . 25370 2 218 . 1 1 16 16 VAL CB C 13 32.9 0.1 . 1 . . . . 16 VAL CB . 25370 2 219 . 1 1 16 16 VAL CG1 C 13 20.2 0.1 . 1 . . . . 16 VAL CG1 . 25370 2 220 . 1 1 16 16 VAL CG2 C 13 20.9 0.1 . 1 . . . . 16 VAL CG2 . 25370 2 221 . 1 1 17 17 THR H H 1 8.22 0.01 . 1 . . . . 17 THR H . 25370 2 222 . 1 1 17 17 THR HA H 1 4.33 0.01 . 1 . . . . 17 THR HA . 25370 2 223 . 1 1 17 17 THR HB H 1 4.07 0.01 . 1 . . . . 17 THR HB . 25370 2 224 . 1 1 17 17 THR HG21 H 1 1.12 0.01 . 1 . . . . 17 THR HG2 . 25370 2 225 . 1 1 17 17 THR HG22 H 1 1.12 0.01 . 1 . . . . 17 THR HG2 . 25370 2 226 . 1 1 17 17 THR HG23 H 1 1.12 0.01 . 1 . . . . 17 THR HG2 . 25370 2 227 . 1 1 17 17 THR CA C 13 61.3 0.1 . 1 . . . . 17 THR CA . 25370 2 228 . 1 1 17 17 THR CB C 13 69.1 0.1 . 1 . . . . 17 THR CB . 25370 2 229 . 1 1 17 17 THR CG2 C 13 21.1 0.1 . 1 . . . . 17 THR CG2 . 25370 2 230 . 1 1 18 18 ILE H H 1 8.2 0.01 . 1 . . . . 18 ILE H . 25370 2 231 . 1 1 18 18 ILE HA H 1 4.35 0.01 . 1 . . . . 18 ILE HA . 25370 2 232 . 1 1 18 18 ILE HB H 1 1.84 0.01 . 1 . . . . 18 ILE HB . 25370 2 233 . 1 1 18 18 ILE HD11 H 1 0.82 0.01 . 1 . . . . 18 ILE HD1 . 25370 2 234 . 1 1 18 18 ILE HD12 H 1 0.82 0.01 . 1 . . . . 18 ILE HD1 . 25370 2 235 . 1 1 18 18 ILE HD13 H 1 0.82 0.01 . 1 . . . . 18 ILE HD1 . 25370 2 236 . 1 1 18 18 ILE HG12 H 1 1.16 0.01 . 2 . . . . 18 ILE HG12 . 25370 2 237 . 1 1 18 18 ILE HG13 H 1 1.52 0.01 . 2 . . . . 18 ILE HG13 . 25370 2 238 . 1 1 18 18 ILE HG21 H 1 0.82 0.01 . 1 . . . . 18 ILE HG2 . 25370 2 239 . 1 1 18 18 ILE HG22 H 1 0.82 0.01 . 1 . . . . 18 ILE HG2 . 25370 2 240 . 1 1 18 18 ILE HG23 H 1 0.82 0.01 . 1 . . . . 18 ILE HG2 . 25370 2 241 . 1 1 18 18 ILE CA C 13 57.8 0.1 . 1 . . . . 18 ILE CA . 25370 2 242 . 1 1 18 18 ILE CB C 13 38 0.1 . 1 . . . . 18 ILE CB . 25370 2 243 . 1 1 18 18 ILE CD1 C 13 12.2 0.1 . 1 . . . . 18 ILE CD1 . 25370 2 244 . 1 1 18 18 ILE CG1 C 13 26.8 0.1 . 1 . . . . 18 ILE CG1 . 25370 2 245 . 1 1 18 18 ILE CG2 C 13 17 0.1 . 1 . . . . 18 ILE CG2 . 25370 2 246 . 1 1 19 19 PRO HA H 1 4.41 0.01 . 1 . . . . 19 PRO HA . 25370 2 247 . 1 1 19 19 PRO HB2 H 1 1.84 0.01 . 2 . . . . 19 PRO HB2 . 25370 2 248 . 1 1 19 19 PRO HB3 H 1 2.09 0.01 . 2 . . . . 19 PRO HB3 . 25370 2 249 . 1 1 19 19 PRO HD2 H 1 3.43 0.01 . 2 . . . . 19 PRO HD2 . 25370 2 250 . 1 1 19 19 PRO HD3 H 1 3.85 0.01 . 2 . . . . 19 PRO HD3 . 25370 2 251 . 1 1 19 19 PRO HG2 H 1 1.76 0.01 . 2 . . . . 19 PRO HG2 . 25370 2 252 . 1 1 19 19 PRO HG3 H 1 1.92 0.01 . 2 . . . . 19 PRO HG3 . 25370 2 253 . 1 1 19 19 PRO CA C 13 62.8 0.1 . 1 . . . . 19 PRO CA . 25370 2 254 . 1 1 19 19 PRO CB C 13 30.8 0.1 . 1 . . . . 19 PRO CB . 25370 2 255 . 1 1 19 19 PRO CD C 13 50.3 0.1 . 1 . . . . 19 PRO CD . 25370 2 256 . 1 1 19 19 PRO CG C 13 26.7 0.1 . 1 . . . . 19 PRO CG . 25370 2 257 . 1 1 20 20 PHE H H 1 7.58 0.01 . 1 . . . . 20 PHE H . 25370 2 258 . 1 1 20 20 PHE HA H 1 4.58 0.01 . 1 . . . . 20 PHE HA . 25370 2 259 . 1 1 20 20 PHE HB2 H 1 3.01 0.01 . 2 . . . . 20 PHE HB2 . 25370 2 260 . 1 1 20 20 PHE HB3 H 1 3.16 0.01 . 2 . . . . 20 PHE HB3 . 25370 2 261 . 1 1 20 20 PHE HD1 H 1 7.24 0.01 . 3 . . . . 20 PHE HD1 . 25370 2 262 . 1 1 20 20 PHE HD2 H 1 7.24 0.01 . 3 . . . . 20 PHE HD2 . 25370 2 263 . 1 1 20 20 PHE HE1 H 1 7.28 0.01 . 3 . . . . 20 PHE HE1 . 25370 2 264 . 1 1 20 20 PHE HE2 H 1 7.28 0.01 . 3 . . . . 20 PHE HE2 . 25370 2 265 . 1 1 20 20 PHE HZ H 1 7.2 0.01 . 1 . . . . 20 PHE HZ . 25370 2 266 . 1 1 20 20 PHE CA C 13 56.4 0.1 . 1 . . . . 20 PHE CA . 25370 2 267 . 1 1 20 20 PHE CB C 13 39.6 0.1 . 1 . . . . 20 PHE CB . 25370 2 268 . 1 1 20 20 PHE CD1 C 13 132 0.1 . 1 . . . . 20 PHE CD1 . 25370 2 269 . 1 1 20 20 PHE CE1 C 13 131.1 0.1 . 1 . . . . 20 PHE CE1 . 25370 2 270 . 1 1 20 20 PHE CZ C 13 129.5 0.1 . 1 . . . . 20 PHE CZ . 25370 2 stop_ save_