################################### # 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 21082 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 . _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-1H COSY' 1 $sample_1 isotropic 21082 1 2 '2D 1H-1H TOCSY' 1 $sample_1 isotropic 21082 1 3 '2D 1H-1H NOESY' 1 $sample_1 isotropic 21082 1 4 '2D 1H-15N HSQC' 1 $sample_1 isotropic 21082 1 5 '2D 1H-13C HSQC' 1 $sample_1 isotropic 21082 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLY HA2 H 1 3.894 0.002 . 2 . . 120 . . 1 GLY HA2 . 21082 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.784 . . 2 . . 122 . . 1 GLY HA3 . 21082 1 3 . 1 . 1 1 1 GLY C C 13 170.993 . . 1 . . 181 . . 1 GLY C . 21082 1 4 . 1 . 1 1 1 GLY CA C 13 43.424 0.007 . 1 . . 121 . . 1 GLY CA . 21082 1 5 . 1 . 1 2 2 LYS H H 1 8.752 0.003 . 1 . . 83 . . 2 LYS H . 21082 1 6 . 1 . 1 2 2 LYS HA H 1 4.188 0.007 . 1 . . 84 . . 2 LYS HA . 21082 1 7 . 1 . 1 2 2 LYS HB2 H 1 1.754 0.005 . 2 . . 85 . . 2 LYS HB2 . 21082 1 8 . 1 . 1 2 2 LYS HB3 H 1 1.754 0.005 . 2 . . 86 . . 2 LYS HB3 . 21082 1 9 . 1 . 1 2 2 LYS HD2 H 1 1.628 . . 2 . . 92 . . 2 LYS HD2 . 21082 1 10 . 1 . 1 2 2 LYS HD3 H 1 1.628 . . 2 . . 91 . . 2 LYS HD3 . 21082 1 11 . 1 . 1 2 2 LYS HE2 H 1 2.890 0.001 . 2 . . 89 . . 2 LYS HE2 . 21082 1 12 . 1 . 1 2 2 LYS HE3 H 1 2.890 0.001 . 2 . . 90 . . 2 LYS HE3 . 21082 1 13 . 1 . 1 2 2 LYS HG2 H 1 1.297 0.002 . 2 . . 88 . . 2 LYS HG2 . 21082 1 14 . 1 . 1 2 2 LYS HG3 H 1 1.297 0.002 . 2 . . 87 . . 2 LYS HG3 . 21082 1 15 . 1 . 1 2 2 LYS C C 13 176.877 . . 1 . . 180 . . 2 LYS C . 21082 1 16 . 1 . 1 2 2 LYS CA C 13 58.382 . . 1 . . 116 . . 2 LYS CA . 21082 1 17 . 1 . 1 2 2 LYS CB C 13 32.894 . . 1 . . 161 . . 2 LYS CB . 21082 1 18 . 1 . 1 2 2 LYS CD C 13 29.436 . . 1 . . 140 . . 2 LYS CD . 21082 1 19 . 1 . 1 2 2 LYS CE C 13 42.138 . . 1 . . 139 . . 2 LYS CE . 21082 1 20 . 1 . 1 2 2 LYS CG C 13 24.755 0.003 . 1 . . 141 . . 2 LYS CG . 21082 1 21 . 1 . 1 3 3 TRP H H 1 7.955 0.002 . 1 . . 4 . . 3 TRP H . 21082 1 22 . 1 . 1 3 3 TRP HA H 1 4.610 0.001 . 1 . . 5 . . 3 TRP HA . 21082 1 23 . 1 . 1 3 3 TRP HB2 H 1 3.371 0.004 . 2 . . 7 . . 3 TRP HB2 . 21082 1 24 . 1 . 1 3 3 TRP HB3 H 1 3.371 0.004 . 2 . . 8 . . 3 TRP HB3 . 21082 1 25 . 1 . 1 3 3 TRP HD1 H 1 7.292 0.002 . 1 . . 2 . . 3 TRP HD1 . 21082 1 26 . 1 . 1 3 3 TRP HE1 H 1 9.957 0.003 . 1 . . 1 . . 3 TRP HE1 . 21082 1 27 . 1 . 1 3 3 TRP HE3 H 1 7.574 0.002 . 1 . . 96 . . 3 TRP HE3 . 21082 1 28 . 1 . 1 3 3 TRP HH2 H 1 7.241 0.002 . 1 . . 94 . . 3 TRP HH2 . 21082 1 29 . 1 . 1 3 3 TRP HZ2 H 1 7.504 0.002 . 1 . . 93 . . 3 TRP HZ2 . 21082 1 30 . 1 . 1 3 3 TRP HZ3 H 1 7.126 0.004 . 1 . . 95 . . 3 TRP HZ3 . 21082 1 31 . 1 . 1 3 3 TRP C C 13 177.053 . . 1 . . 132 . . 3 TRP C . 21082 1 32 . 1 . 1 3 3 TRP CA C 13 58.946 . . 1 . . 119 . . 3 TRP CA . 21082 1 33 . 1 . 1 3 3 TRP CB C 13 28.763 . . 1 . . 138 . . 3 TRP CB . 21082 1 34 . 1 . 1 3 3 TRP CD1 C 13 126.892 . . 1 . . 123 . . 3 TRP CD1 . 21082 1 35 . 1 . 1 3 3 TRP CD2 C 13 129.741 0.018 . 1 . . 128 . . 3 TRP CD2 . 21082 1 36 . 1 . 1 3 3 TRP CE2 C 13 139.449 0.02 . 1 . . 137 . . 3 TRP CE2 . 21082 1 37 . 1 . 1 3 3 TRP CE3 C 13 120.817 0.017 . 1 . . 126 . . 3 TRP CE3 . 21082 1 38 . 1 . 1 3 3 TRP CG C 13 111.570 0.027 . 1 . . 136 . . 3 TRP CG . 21082 1 39 . 1 . 1 3 3 TRP CH2 C 13 124.841 0.003 . 1 . . 124 . . 3 TRP CH2 . 21082 1 40 . 1 . 1 3 3 TRP CZ2 C 13 114.631 0.011 . 1 . . 127 . . 3 TRP CZ2 . 21082 1 41 . 1 . 1 3 3 TRP CZ3 C 13 122.162 0.007 . 1 . . 125 . . 3 TRP CZ3 . 21082 1 42 . 1 . 1 3 3 TRP N N 15 119.883 . . 1 . . 6 . . 3 TRP N . 21082 1 43 . 1 . 1 3 3 TRP NE1 N 15 128.372 . . 1 . . 3 . . 3 TRP NE1 . 21082 1 44 . 1 . 1 4 4 MET H H 1 7.740 0.003 . 1 . . 9 . . 4 MET H . 21082 1 45 . 1 . 1 4 4 MET HA H 1 4.155 0.009 . 1 . . 10 . . 4 MET HA . 21082 1 46 . 1 . 1 4 4 MET HB2 H 1 1.990 0.0 . 2 . . 79 . . 4 MET HB2 . 21082 1 47 . 1 . 1 4 4 MET HB3 H 1 1.990 0.0 . 2 . . 78 . . 4 MET HB3 . 21082 1 48 . 1 . 1 4 4 MET HE1 H 1 2.075 . . 1 . . 80 . . 4 MET HE1 . 21082 1 49 . 1 . 1 4 4 MET HE2 H 1 2.075 . . 1 . . 80 . . 4 MET HE2 . 21082 1 50 . 1 . 1 4 4 MET HE3 H 1 2.075 . . 1 . . 80 . . 4 MET HE3 . 21082 1 51 . 1 . 1 4 4 MET HG2 H 1 2.407 0.001 . 2 . . 76 . . 4 MET HG2 . 21082 1 52 . 1 . 1 4 4 MET HG3 H 1 2.407 0.001 . 2 . . 77 . . 4 MET HG3 . 21082 1 53 . 1 . 1 4 4 MET C C 13 177.612 . . 1 . . 133 . . 4 MET C . 21082 1 54 . 1 . 1 4 4 MET CA C 13 58.402 . . 1 . . 114 . . 4 MET CA . 21082 1 55 . 1 . 1 4 4 MET CB C 13 32.046 . . 1 . . 159 . . 4 MET CB . 21082 1 56 . 1 . 1 4 4 MET CE C 13 16.550 . . 1 . . 158 . . 4 MET CE . 21082 1 57 . 1 . 1 4 4 MET CG C 13 32.150 . . 1 . . 142 . . 4 MET CG . 21082 1 58 . 1 . 1 4 4 MET N N 15 119.416 . . 1 . . 11 . . 4 MET N . 21082 1 59 . 1 . 1 5 5 LYS H H 1 7.717 0.003 . 1 . . 12 . . 5 LYS H . 21082 1 60 . 1 . 1 5 5 LYS HA H 1 3.992 0.001 . 1 . . 13 . . 5 LYS HA . 21082 1 61 . 1 . 1 5 5 LYS HB2 H 1 1.871 0.007 . 2 . . 44 . . 5 LYS HB2 . 21082 1 62 . 1 . 1 5 5 LYS HB3 H 1 1.871 0.007 . 2 . . 43 . . 5 LYS HB3 . 21082 1 63 . 1 . 1 5 5 LYS HD2 H 1 1.715 . . 2 . . 101 . . 5 LYS HD2 . 21082 1 64 . 1 . 1 5 5 LYS HD3 H 1 1.715 . . 2 . . 100 . . 5 LYS HD3 . 21082 1 65 . 1 . 1 5 5 LYS HE2 H 1 2.995 0.004 . 2 . . 72 . . 5 LYS HE2 . 21082 1 66 . 1 . 1 5 5 LYS HE3 H 1 2.995 0.004 . 2 . . 73 . . 5 LYS HE3 . 21082 1 67 . 1 . 1 5 5 LYS HG2 H 1 1.563 . . 2 . . 102 . . 5 LYS HG2 . 21082 1 68 . 1 . 1 5 5 LYS HG3 H 1 1.434 . . 2 . . 103 . . 5 LYS HG3 . 21082 1 69 . 1 . 1 5 5 LYS C C 13 178.373 . . 1 . . 135 . . 5 LYS C . 21082 1 70 . 1 . 1 5 5 LYS CA C 13 59.522 . . 1 . . 111 . . 5 LYS CA . 21082 1 71 . 1 . 1 5 5 LYS CB C 13 32.456 . . 1 . . 162 . . 5 LYS CB . 21082 1 72 . 1 . 1 5 5 LYS CD C 13 29.511 . . 1 . . 171 . . 5 LYS CD . 21082 1 73 . 1 . 1 5 5 LYS CE C 13 42.284 . . 1 . . 146 . . 5 LYS CE . 21082 1 74 . 1 . 1 5 5 LYS CG C 13 25.595 . . 1 . . 170 . . 5 LYS CG . 21082 1 75 . 1 . 1 5 5 LYS N N 15 118.425 . . 1 . . 42 . . 5 LYS N . 21082 1 76 . 1 . 1 6 6 LEU H H 1 7.565 0.004 . 1 . . 29 . . 6 LEU H . 21082 1 77 . 1 . 1 6 6 LEU HA H 1 4.197 0.011 . 1 . . 30 . . 6 LEU HA . 21082 1 78 . 1 . 1 6 6 LEU HB2 H 1 1.870 0.004 . 2 . . 97 . . 6 LEU HB2 . 21082 1 79 . 1 . 1 6 6 LEU HB3 H 1 1.713 0.002 . 2 . . 98 . . 6 LEU HB3 . 21082 1 80 . 1 . 1 6 6 LEU HD11 H 1 0.961 0.009 . 2 . . 31 . . 6 LEU HD11 . 21082 1 81 . 1 . 1 6 6 LEU HD12 H 1 0.961 0.009 . 2 . . 31 . . 6 LEU HD12 . 21082 1 82 . 1 . 1 6 6 LEU HD13 H 1 0.961 0.009 . 2 . . 31 . . 6 LEU HD13 . 21082 1 83 . 1 . 1 6 6 LEU HD21 H 1 0.961 0.009 . 2 . . 32 . . 6 LEU HD21 . 21082 1 84 . 1 . 1 6 6 LEU HD22 H 1 0.961 0.009 . 2 . . 32 . . 6 LEU HD22 . 21082 1 85 . 1 . 1 6 6 LEU HD23 H 1 0.961 0.009 . 2 . . 32 . . 6 LEU HD23 . 21082 1 86 . 1 . 1 6 6 LEU HG H 1 1.715 0.005 . 1 . . 99 . . 6 LEU HG . 21082 1 87 . 1 . 1 6 6 LEU C C 13 178.384 . . 1 . . 182 . . 6 LEU C . 21082 1 88 . 1 . 1 6 6 LEU CA C 13 57.614 . . 1 . . 115 . . 6 LEU CA . 21082 1 89 . 1 . 1 6 6 LEU CB C 13 42.082 . . 1 . . 152 . . 6 LEU CB . 21082 1 90 . 1 . 1 6 6 LEU CD1 C 13 23.605 . . 2 . . 178 . . 6 LEU CD1 . 21082 1 91 . 1 . 1 6 6 LEU CD2 C 13 23.605 . . 2 . . 177 . . 6 LEU CD2 . 21082 1 92 . 1 . 1 6 6 LEU CG C 13 27.192 . . 1 . . 153 . . 6 LEU CG . 21082 1 93 . 1 . 1 6 6 LEU N N 15 120.323 . . 1 . . 81 . . 6 LEU N . 21082 1 94 . 1 . 1 7 7 LEU H H 1 8.061 0.001 . 1 . . 27 . . 7 LEU H . 21082 1 95 . 1 . 1 7 7 LEU HA H 1 4.052 0.005 . 1 . . 28 . . 7 LEU HA . 21082 1 96 . 1 . 1 7 7 LEU HB2 H 1 1.686 0.002 . 2 . . 35 . . 7 LEU HB2 . 21082 1 97 . 1 . 1 7 7 LEU HB3 H 1 1.686 0.002 . 2 . . 36 . . 7 LEU HB3 . 21082 1 98 . 1 . 1 7 7 LEU HD11 H 1 0.928 0.007 . 2 . . 34 . . 7 LEU HD11 . 21082 1 99 . 1 . 1 7 7 LEU HD12 H 1 0.928 0.007 . 2 . . 34 . . 7 LEU HD12 . 21082 1 100 . 1 . 1 7 7 LEU HD13 H 1 0.928 0.007 . 2 . . 34 . . 7 LEU HD13 . 21082 1 101 . 1 . 1 7 7 LEU HD21 H 1 0.928 0.006 . 2 . . 33 . . 7 LEU HD21 . 21082 1 102 . 1 . 1 7 7 LEU HD22 H 1 0.928 0.006 . 2 . . 33 . . 7 LEU HD22 . 21082 1 103 . 1 . 1 7 7 LEU HD23 H 1 0.928 0.006 . 2 . . 33 . . 7 LEU HD23 . 21082 1 104 . 1 . 1 7 7 LEU HG H 1 1.684 0.004 . 1 . . 37 . . 7 LEU HG . 21082 1 105 . 1 . 1 7 7 LEU C C 13 178.656 . . 1 . . 183 . . 7 LEU C . 21082 1 106 . 1 . 1 7 7 LEU CA C 13 58.244 . . 1 . . 110 . . 7 LEU CA . 21082 1 107 . 1 . 1 7 7 LEU CB C 13 41.734 . . 1 . . 150 . . 7 LEU CB . 21082 1 108 . 1 . 1 7 7 LEU CD1 C 13 23.688 . . 2 . . 176 . . 7 LEU CD1 . 21082 1 109 . 1 . 1 7 7 LEU CD2 C 13 23.688 . . 2 . . 175 . . 7 LEU CD2 . 21082 1 110 . 1 . 1 7 7 LEU CG C 13 27.143 . . 1 . . 151 . . 7 LEU CG . 21082 1 111 . 1 . 1 7 7 LEU N N 15 119.823 . . 1 . . 38 . . 7 LEU N . 21082 1 112 . 1 . 1 8 8 LYS H H 1 7.937 0.004 . 1 . . 25 . . 8 LYS H . 21082 1 113 . 1 . 1 8 8 LYS HA H 1 3.947 0.002 . 1 . . 26 . . 8 LYS HA . 21082 1 114 . 1 . 1 8 8 LYS HB2 H 1 1.912 0.005 . 2 . . 40 . . 8 LYS HB2 . 21082 1 115 . 1 . 1 8 8 LYS HB3 H 1 1.912 0.006 . 2 . . 41 . . 8 LYS HB3 . 21082 1 116 . 1 . 1 8 8 LYS HD2 H 1 1.726 0.003 . 2 . . 105 . . 8 LYS HD2 . 21082 1 117 . 1 . 1 8 8 LYS HD3 H 1 1.721 0.002 . 2 . . 106 . . 8 LYS HD3 . 21082 1 118 . 1 . 1 8 8 LYS HE2 H 1 2.971 0.005 . 2 . . 69 . . 8 LYS HE2 . 21082 1 119 . 1 . 1 8 8 LYS HE3 H 1 2.971 0.005 . 2 . . 68 . . 8 LYS HE3 . 21082 1 120 . 1 . 1 8 8 LYS HG2 H 1 1.632 0.001 . 2 . . 104 . . 8 LYS HG2 . 21082 1 121 . 1 . 1 8 8 LYS HG3 H 1 1.463 0.0 . 2 . . 67 . . 8 LYS HG3 . 21082 1 122 . 1 . 1 8 8 LYS C C 13 178.407 . . 1 . . 134 . . 8 LYS C . 21082 1 123 . 1 . 1 8 8 LYS CA C 13 59.828 . . 1 . . 112 . . 8 LYS CA . 21082 1 124 . 1 . 1 8 8 LYS CB C 13 32.456 . . 1 . . 163 . . 8 LYS CB . 21082 1 125 . 1 . 1 8 8 LYS CD C 13 29.505 . . 1 . . 172 . . 8 LYS CD . 21082 1 126 . 1 . 1 8 8 LYS CE C 13 42.257 . . 1 . . 145 . . 8 LYS CE . 21082 1 127 . 1 . 1 8 8 LYS CG C 13 25.522 0.034 . 1 . . 164 . . 8 LYS CG . 21082 1 128 . 1 . 1 8 8 LYS N N 15 116.706 . . 1 . . 39 . . 8 LYS N . 21082 1 129 . 1 . 1 9 9 LYS H H 1 7.604 0.004 . 1 . . 23 . . 9 LYS H . 21082 1 130 . 1 . 1 9 9 LYS HA H 1 4.106 0.005 . 1 . . 24 . . 9 LYS HA . 21082 1 131 . 1 . 1 9 9 LYS HB2 H 1 2.065 0.022 . 2 . . 45 . . 9 LYS HB2 . 21082 1 132 . 1 . 1 9 9 LYS HB3 H 1 2.096 0.008 . 2 . . 46 . . 9 LYS HB3 . 21082 1 133 . 1 . 1 9 9 LYS HD2 H 1 1.761 . . 2 . . 55 . . 9 LYS HD2 . 21082 1 134 . 1 . 1 9 9 LYS HD3 H 1 1.761 . . 2 . . 56 . . 9 LYS HD3 . 21082 1 135 . 1 . 1 9 9 LYS HE2 H 1 3.013 0.001 . 2 . . 74 . . 9 LYS HE2 . 21082 1 136 . 1 . 1 9 9 LYS HE3 H 1 3.013 0.001 . 2 . . 75 . . 9 LYS HE3 . 21082 1 137 . 1 . 1 9 9 LYS HG2 H 1 1.470 0.0 . 2 . . 53 . . 9 LYS HG2 . 21082 1 138 . 1 . 1 9 9 LYS HG3 H 1 1.604 . . 2 . . 54 . . 9 LYS HG3 . 21082 1 139 . 1 . 1 9 9 LYS C C 13 178.882 0.045 . 1 . . 130 . . 9 LYS C . 21082 1 140 . 1 . 1 9 9 LYS CA C 13 59.074 . . 1 . . 109 . . 9 LYS CA . 21082 1 141 . 1 . 1 9 9 LYS CB C 13 32.585 0.006 . 1 . . 155 . . 9 LYS CB . 21082 1 142 . 1 . 1 9 9 LYS CD C 13 29.380 . . 1 . . 168 . . 9 LYS CD . 21082 1 143 . 1 . 1 9 9 LYS CE C 13 42.287 . . 1 . . 147 . . 9 LYS CE . 21082 1 144 . 1 . 1 9 9 LYS CG C 13 25.106 . . 1 . . 167 . . 9 LYS CG . 21082 1 145 . 1 . 1 9 9 LYS N N 15 118.845 . . 1 . . 82 . . 9 LYS N . 21082 1 146 . 1 . 1 10 10 ILE H H 1 8.159 0.002 . 1 . . 14 . . 10 ILE H . 21082 1 147 . 1 . 1 10 10 ILE HA H 1 3.861 0.004 . 1 . . 15 . . 10 ILE HA . 21082 1 148 . 1 . 1 10 10 ILE HB H 1 2.018 0.004 . 1 . . 62 . . 10 ILE HB . 21082 1 149 . 1 . 1 10 10 ILE HD11 H 1 0.862 0.005 . 1 . . 65 . . 10 ILE HD11 . 21082 1 150 . 1 . 1 10 10 ILE HD12 H 1 0.862 0.005 . 1 . . 65 . . 10 ILE HD12 . 21082 1 151 . 1 . 1 10 10 ILE HD13 H 1 0.862 0.005 . 1 . . 65 . . 10 ILE HD13 . 21082 1 152 . 1 . 1 10 10 ILE HG12 H 1 1.205 0.003 . 2 . . 64 . . 10 ILE HG12 . 21082 1 153 . 1 . 1 10 10 ILE HG13 H 1 1.739 0.006 . 2 . . 66 . . 10 ILE HG13 . 21082 1 154 . 1 . 1 10 10 ILE HG21 H 1 0.942 0.003 . 1 . . 63 . . 10 ILE HG21 . 21082 1 155 . 1 . 1 10 10 ILE HG22 H 1 0.942 0.003 . 1 . . 63 . . 10 ILE HG22 . 21082 1 156 . 1 . 1 10 10 ILE HG23 H 1 0.942 0.003 . 1 . . 63 . . 10 ILE HG23 . 21082 1 157 . 1 . 1 10 10 ILE C C 13 178.514 . . 1 . . 129 . . 10 ILE C . 21082 1 158 . 1 . 1 10 10 ILE CA C 13 64.575 . . 1 . . 113 . . 10 ILE CA . 21082 1 159 . 1 . 1 10 10 ILE CB C 13 38.820 . . 1 . . 154 . . 10 ILE CB . 21082 1 160 . 1 . 1 10 10 ILE CD1 C 13 12.711 . . 1 . . 143 . . 10 ILE CD1 . 21082 1 161 . 1 . 1 10 10 ILE CG1 C 13 28.474 . . 1 . . 157 . . 10 ILE CG1 . 21082 1 162 . 1 . 1 10 10 ILE CG2 C 13 16.698 . . 1 . . 156 . . 10 ILE CG2 . 21082 1 163 . 1 . 1 10 10 ILE N N 15 120.101 . . 1 . . 16 . . 10 ILE N . 21082 1 164 . 1 . 1 11 11 LEU H H 1 8.383 0.002 . 1 . . 20 . . 11 LEU H . 21082 1 165 . 1 . 1 11 11 LEU HA H 1 4.256 0.009 . 1 . . 21 . . 11 LEU HA . 21082 1 166 . 1 . 1 11 11 LEU HB2 H 1 1.859 0.005 . 2 . . 61 . . 11 LEU HB2 . 21082 1 167 . 1 . 1 11 11 LEU HB3 H 1 1.532 0.001 . 2 . . 59 . . 11 LEU HB3 . 21082 1 168 . 1 . 1 11 11 LEU HD11 H 1 0.896 0.007 . 2 . . 60 . . 11 LEU HD11 . 21082 1 169 . 1 . 1 11 11 LEU HD12 H 1 0.896 0.007 . 2 . . 60 . . 11 LEU HD12 . 21082 1 170 . 1 . 1 11 11 LEU HD13 H 1 0.896 0.007 . 2 . . 60 . . 11 LEU HD13 . 21082 1 171 . 1 . 1 11 11 LEU HD21 H 1 0.897 0.006 . 2 . . 57 . . 11 LEU HD21 . 21082 1 172 . 1 . 1 11 11 LEU HD22 H 1 0.897 0.006 . 2 . . 57 . . 11 LEU HD22 . 21082 1 173 . 1 . 1 11 11 LEU HD23 H 1 0.897 0.006 . 2 . . 57 . . 11 LEU HD23 . 21082 1 174 . 1 . 1 11 11 LEU HG H 1 1.852 0.004 . 1 . . 58 . . 11 LEU HG . 21082 1 175 . 1 . 1 11 11 LEU C C 13 178.459 0.003 . 1 . . 131 . . 11 LEU C . 21082 1 176 . 1 . 1 11 11 LEU CA C 13 56.711 . . 1 . . 117 . . 11 LEU CA . 21082 1 177 . 1 . 1 11 11 LEU CB C 13 42.133 0.043 . 1 . . 148 . . 11 LEU CB . 21082 1 178 . 1 . 1 11 11 LEU CD1 C 13 25.001 . . 2 . . 174 . . 11 LEU CD1 . 21082 1 179 . 1 . 1 11 11 LEU CD2 C 13 21.978 . . 2 . . 173 . . 11 LEU CD2 . 21082 1 180 . 1 . 1 11 11 LEU CG C 13 26.982 . . 1 . . 149 . . 11 LEU CG . 21082 1 181 . 1 . 1 11 11 LEU N N 15 119.935 . . 1 . . 22 . . 11 LEU N . 21082 1 182 . 1 . 1 12 12 LYS H H 1 7.794 0.002 . 1 . . 17 . . 12 LYS H . 21082 1 183 . 1 . 1 12 12 LYS HA H 1 4.270 0.003 . 1 . . 18 . . 12 LYS HA . 21082 1 184 . 1 . 1 12 12 LYS HB2 H 1 1.973 0.002 . 2 . . 47 . . 12 LYS HB2 . 21082 1 185 . 1 . 1 12 12 LYS HB3 H 1 1.973 0.002 . 2 . . 48 . . 12 LYS HB3 . 21082 1 186 . 1 . 1 12 12 LYS HD2 H 1 1.749 . . 2 . . 52 . . 12 LYS HD2 . 21082 1 187 . 1 . 1 12 12 LYS HD3 H 1 1.749 . . 2 . . 51 . . 12 LYS HD3 . 21082 1 188 . 1 . 1 12 12 LYS HE2 H 1 3.046 0.006 . 2 . . 70 . . 12 LYS HE2 . 21082 1 189 . 1 . 1 12 12 LYS HE3 H 1 3.046 0.006 . 2 . . 71 . . 12 LYS HE3 . 21082 1 190 . 1 . 1 12 12 LYS HG2 H 1 1.559 . . 2 . . 49 . . 12 LYS HG2 . 21082 1 191 . 1 . 1 12 12 LYS HG3 H 1 1.559 . . 2 . . 50 . . 12 LYS HG3 . 21082 1 192 . 1 . 1 12 12 LYS C C 13 179.874 0.008 . 1 . . 179 . . 12 LYS C . 21082 1 193 . 1 . 1 12 12 LYS CA C 13 56.568 . . 1 . . 118 . . 12 LYS CA . 21082 1 194 . 1 . 1 12 12 LYS CB C 13 32.540 . . 1 . . 160 . . 12 LYS CB . 21082 1 195 . 1 . 1 12 12 LYS CD C 13 29.000 . . 1 . . 165 . . 12 LYS CD . 21082 1 196 . 1 . 1 12 12 LYS CE C 13 42.284 . . 1 . . 144 . . 12 LYS CE . 21082 1 197 . 1 . 1 12 12 LYS CG C 13 24.909 . . 1 . . 166 . . 12 LYS CG . 21082 1 198 . 1 . 1 12 12 LYS N N 15 119.080 . . 1 . . 19 . . 12 LYS N . 21082 1 199 . 1 . 1 13 13 NH2 NH1 H 1 7.274 0.001 . 2 . . 107 . . 13 NH2 NT . 21082 1 200 . 1 . 1 13 13 NH2 NH2 H 1 6.984 0.004 . 2 . . 108 . . 13 NH2 H1 . 21082 1 201 . 1 . 1 13 13 NH2 N N 15 106.328 0.002 . 1 . . 184 . . 13 NH2 H2 . 21082 1 stop_ save_