################################### # 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 35075 _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 $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 TOCSY' . . . 35075 1 2 '2D NOESY' . . . 35075 1 3 '2D 13C HSQC' . . . 35075 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 SER HA H 1 3.484 0.002 . 1 . . . . A 1 SER HA . 35075 1 2 . 1 . 1 1 1 SER HB2 H 1 3.840 0.001 . 1 . . . . A 1 SER HB2 . 35075 1 3 . 1 . 1 1 1 SER HB3 H 1 3.784 0.003 . 1 . . . . A 1 SER HB3 . 35075 1 4 . 1 . 1 1 1 SER CA C 13 57.350 0.000 . 1 . . . . A 1 SER CA . 35075 1 5 . 1 . 1 1 1 SER CB C 13 62.609 0.002 . 1 . . . . A 1 SER CB . 35075 1 6 . 1 . 1 2 2 TRP H H 1 8.748 0.001 . 1 . . . . A 2 TRP H . 35075 1 7 . 1 . 1 2 2 TRP HA H 1 5.219 0.003 . 1 . . . . A 2 TRP HA . 35075 1 8 . 1 . 1 2 2 TRP HB2 H 1 3.010 0.002 . 1 . . . . A 2 TRP HB2 . 35075 1 9 . 1 . 1 2 2 TRP HB3 H 1 3.096 0.002 . 1 . . . . A 2 TRP HB3 . 35075 1 10 . 1 . 1 2 2 TRP HD1 H 1 7.301 0.004 . 1 . . . . A 2 TRP HD1 . 35075 1 11 . 1 . 1 2 2 TRP HE1 H 1 9.921 0.000 . 1 . . . . A 2 TRP HE1 . 35075 1 12 . 1 . 1 2 2 TRP CA C 13 57.358 0.000 . 1 . . . . A 2 TRP CA . 35075 1 13 . 1 . 1 2 2 TRP CB C 13 31.078 0.001 . 1 . . . . A 2 TRP CB . 35075 1 14 . 1 . 1 3 3 THR H H 1 9.476 0.002 . 1 . . . . A 3 THR H . 35075 1 15 . 1 . 1 3 3 THR HA H 1 4.871 0.002 . 1 . . . . A 3 THR HA . 35075 1 16 . 1 . 1 3 3 THR HB H 1 4.012 0.002 . 1 . . . . A 3 THR HB . 35075 1 17 . 1 . 1 3 3 THR HG21 H 1 1.115 0.002 . 1 . . . . A 3 THR HG21 . 35075 1 18 . 1 . 1 3 3 THR HG22 H 1 1.115 0.002 . 1 . . . . A 3 THR HG22 . 35075 1 19 . 1 . 1 3 3 THR HG23 H 1 1.115 0.002 . 1 . . . . A 3 THR HG23 . 35075 1 20 . 1 . 1 3 3 THR CA C 13 60.982 0.000 . 1 . . . . A 3 THR CA . 35075 1 21 . 1 . 1 3 3 THR CB C 13 71.707 0.000 . 1 . . . . A 3 THR CB . 35075 1 22 . 1 . 1 3 3 THR CG2 C 13 21.067 0.000 . 1 . . . . A 3 THR CG2 . 35075 1 23 . 1 . 1 4 4 TRP H H 1 8.673 0.002 . 1 . . . . A 4 TRP H . 35075 1 24 . 1 . 1 4 4 TRP HA H 1 4.658 0.004 . 1 . . . . A 4 TRP HA . 35075 1 25 . 1 . 1 4 4 TRP HB2 H 1 2.923 0.002 . 1 . . . . A 4 TRP HB2 . 35075 1 26 . 1 . 1 4 4 TRP HB3 H 1 2.046 0.003 . 1 . . . . A 4 TRP HB3 . 35075 1 27 . 1 . 1 4 4 TRP HD1 H 1 6.775 0.003 . 1 . . . . A 4 TRP HD1 . 35075 1 28 . 1 . 1 4 4 TRP HE1 H 1 9.814 0.001 . 1 . . . . A 4 TRP HE1 . 35075 1 29 . 1 . 1 4 4 TRP CB C 13 28.928 0.001 . 1 . . . . A 4 TRP CB . 35075 1 30 . 1 . 1 5 5 GLU H H 1 8.428 0.002 . 1 . . . . A 5 GLU H . 35075 1 31 . 1 . 1 5 5 GLU HA H 1 4.329 0.002 . 1 . . . . A 5 GLU HA . 35075 1 32 . 1 . 1 5 5 GLU HB2 H 1 1.749 0.002 . 1 . . . . A 5 GLU HB2 . 35075 1 33 . 1 . 1 5 5 GLU HB3 H 1 1.897 0.002 . 1 . . . . A 5 GLU HB3 . 35075 1 34 . 1 . 1 5 5 GLU HG2 H 1 2.048 0.002 . 1 . . . . A 5 GLU HG2 . 35075 1 35 . 1 . 1 5 5 GLU HG3 H 1 2.117 0.003 . 1 . . . . A 5 GLU HG3 . 35075 1 36 . 1 . 1 5 5 GLU CA C 13 55.486 0.000 . 1 . . . . A 5 GLU CA . 35075 1 37 . 1 . 1 5 5 GLU CB C 13 32.310 0.002 . 1 . . . . A 5 GLU CB . 35075 1 38 . 1 . 1 5 5 GLU CG C 13 35.741 0.001 . 1 . . . . A 5 GLU CG . 35075 1 39 . 1 . 1 6 6 ASN H H 1 8.977 0.001 . 1 . . . . A 6 ASN H . 35075 1 40 . 1 . 1 6 6 ASN HA H 1 4.165 0.002 . 1 . . . . A 6 ASN HA . 35075 1 41 . 1 . 1 6 6 ASN HB2 H 1 2.607 0.003 . 2 . . . . A 6 ASN HB2 . 35075 1 42 . 1 . 1 6 6 ASN HB3 H 1 2.912 0.003 . 2 . . . . A 6 ASN HB3 . 35075 1 43 . 1 . 1 6 6 ASN CA C 13 54.057 0.000 . 1 . . . . A 6 ASN CA . 35075 1 44 . 1 . 1 6 6 ASN CB C 13 37.605 0.000 . 1 . . . . A 6 ASN CB . 35075 1 45 . 1 . 1 7 7 GLY H H 1 7.380 0.001 . 1 . . . . A 7 GLY H . 35075 1 46 . 1 . 1 7 7 GLY HA2 H 1 3.238 0.004 . 1 . . . . A 7 GLY HA2 . 35075 1 47 . 1 . 1 7 7 GLY HA3 H 1 3.828 0.001 . 1 . . . . A 7 GLY HA3 . 35075 1 48 . 1 . 1 7 7 GLY CA C 13 45.869 0.001 . 1 . . . . A 7 GLY CA . 35075 1 49 . 1 . 1 8 8 LYS H H 1 6.839 0.003 . 1 . . . . A 8 LYS H . 35075 1 50 . 1 . 1 8 8 LYS HA H 1 4.261 0.003 . 1 . . . . A 8 LYS HA . 35075 1 51 . 1 . 1 8 8 LYS HB2 H 1 1.636 0.003 . 1 . . . . A 8 LYS HB2 . 35075 1 52 . 1 . 1 8 8 LYS HB3 H 1 1.708 0.002 . 1 . . . . A 8 LYS HB3 . 35075 1 53 . 1 . 1 8 8 LYS HG2 H 1 1.196 0.003 . 1 . . . . A 8 LYS HG2 . 35075 1 54 . 1 . 1 8 8 LYS HG3 H 1 1.261 0.001 . 1 . . . . A 8 LYS HG3 . 35075 1 55 . 1 . 1 8 8 LYS HD2 H 1 1.503 0.006 . 2 . . . . A 8 LYS HD2 . 35075 1 56 . 1 . 1 8 8 LYS HD3 H 1 1.503 0.006 . 2 . . . . A 8 LYS HD3 . 35075 1 57 . 1 . 1 8 8 LYS HE2 H 1 2.994 0.002 . 2 . . . . A 8 LYS HE2 . 35075 1 58 . 1 . 1 8 8 LYS HE3 H 1 2.994 0.002 . 2 . . . . A 8 LYS HE3 . 35075 1 59 . 1 . 1 8 8 LYS CA C 13 54.659 0.000 . 1 . . . . A 8 LYS CA . 35075 1 60 . 1 . 1 8 8 LYS CB C 13 35.413 0.000 . 1 . . . . A 8 LYS CB . 35075 1 61 . 1 . 1 8 8 LYS CG C 13 23.563 0.003 . 1 . . . . A 8 LYS CG . 35075 1 62 . 1 . 1 8 8 LYS CD C 13 28.832 0.000 . 1 . . . . A 8 LYS CD . 35075 1 63 . 1 . 1 8 8 LYS CE C 13 42.340 0.000 . 1 . . . . A 8 LYS CE . 35075 1 64 . 1 . 1 9 9 TRP H H 1 8.501 0.001 . 1 . . . . A 9 TRP H . 35075 1 65 . 1 . 1 9 9 TRP HA H 1 5.149 0.002 . 1 . . . . A 9 TRP HA . 35075 1 66 . 1 . 1 9 9 TRP HB2 H 1 2.943 0.004 . 1 . . . . A 9 TRP HB2 . 35075 1 67 . 1 . 1 9 9 TRP HB3 H 1 3.247 0.003 . 1 . . . . A 9 TRP HB3 . 35075 1 68 . 1 . 1 9 9 TRP HD1 H 1 7.220 0.003 . 1 . . . . A 9 TRP HD1 . 35075 1 69 . 1 . 1 9 9 TRP HE1 H 1 9.720 0.002 . 1 . . . . A 9 TRP HE1 . 35075 1 70 . 1 . 1 9 9 TRP CA C 13 57.318 0.000 . 1 . . . . A 9 TRP CA . 35075 1 71 . 1 . 1 9 9 TRP CB C 13 30.081 0.005 . 1 . . . . A 9 TRP CB . 35075 1 72 . 1 . 1 10 10 THR H H 1 9.697 0.002 . 1 . . . . A 10 THR H . 35075 1 73 . 1 . 1 10 10 THR HA H 1 4.877 0.003 . 1 . . . . A 10 THR HA . 35075 1 74 . 1 . 1 10 10 THR HB H 1 4.024 0.003 . 1 . . . . A 10 THR HB . 35075 1 75 . 1 . 1 10 10 THR HG21 H 1 1.167 0.002 . 1 . . . . A 10 THR HG21 . 35075 1 76 . 1 . 1 10 10 THR HG22 H 1 1.167 0.002 . 1 . . . . A 10 THR HG22 . 35075 1 77 . 1 . 1 10 10 THR HG23 H 1 1.167 0.002 . 1 . . . . A 10 THR HG23 . 35075 1 78 . 1 . 1 10 10 THR CA C 13 61.765 0.000 . 1 . . . . A 10 THR CA . 35075 1 79 . 1 . 1 10 10 THR CB C 13 71.963 0.000 . 1 . . . . A 10 THR CB . 35075 1 80 . 1 . 1 10 10 THR CG2 C 13 21.037 0.000 . 1 . . . . A 10 THR CG2 . 35075 1 81 . 1 . 1 11 11 TRP H H 1 8.793 0.001 . 1 . . . . A 11 TRP H . 35075 1 82 . 1 . 1 11 11 TRP HA H 1 4.354 0.002 . 1 . . . . A 11 TRP HA . 35075 1 83 . 1 . 1 11 11 TRP HB2 H 1 1.968 0.004 . 1 . . . . A 11 TRP HB2 . 35075 1 84 . 1 . 1 11 11 TRP HB3 H 1 2.764 0.002 . 1 . . . . A 11 TRP HB3 . 35075 1 85 . 1 . 1 11 11 TRP HD1 H 1 6.728 0.003 . 1 . . . . A 11 TRP HD1 . 35075 1 86 . 1 . 1 11 11 TRP HE1 H 1 9.779 0.001 . 1 . . . . A 11 TRP HE1 . 35075 1 87 . 1 . 1 11 11 TRP CA C 13 56.724 0.000 . 1 . . . . A 11 TRP CA . 35075 1 88 . 1 . 1 11 11 TRP CB C 13 28.867 0.035 . 1 . . . . A 11 TRP CB . 35075 1 89 . 1 . 1 12 12 LYS H H 1 7.660 0.002 . 1 . . . . A 12 LYS H . 35075 1 90 . 1 . 1 12 12 LYS HA H 1 4.290 0.002 . 1 . . . . A 12 LYS HA . 35075 1 91 . 1 . 1 12 12 LYS HB2 H 1 1.379 0.002 . 1 . . . . A 12 LYS HB2 . 35075 1 92 . 1 . 1 12 12 LYS HB3 H 1 1.512 0.003 . 1 . . . . A 12 LYS HB3 . 35075 1 93 . 1 . 1 12 12 LYS HG2 H 1 1.154 0.002 . 1 . . . . A 12 LYS HG2 . 35075 1 94 . 1 . 1 12 12 LYS HG3 H 1 1.212 0.002 . 1 . . . . A 12 LYS HG3 . 35075 1 95 . 1 . 1 12 12 LYS HD2 H 1 1.524 0.000 . 2 . . . . A 12 LYS HD2 . 35075 1 96 . 1 . 1 12 12 LYS HD3 H 1 1.524 0.000 . 2 . . . . A 12 LYS HD3 . 35075 1 97 . 1 . 1 12 12 LYS HE2 H 1 2.797 0.005 . 1 . . . . A 12 LYS HE2 . 35075 1 98 . 1 . 1 12 12 LYS HE3 H 1 2.822 0.003 . 1 . . . . A 12 LYS HE3 . 35075 1 99 . 1 . 1 12 12 LYS CA C 13 54.236 0.000 . 1 . . . . A 12 LYS CA . 35075 1 100 . 1 . 1 12 12 LYS CB C 13 34.652 0.000 . 1 . . . . A 12 LYS CB . 35075 1 101 . 1 . 1 12 12 LYS CG C 13 24.539 0.008 . 1 . . . . A 12 LYS CG . 35075 1 102 . 1 . 1 12 12 LYS CD C 13 28.837 0.000 . 1 . . . . A 12 LYS CD . 35075 1 103 . 1 . 1 12 12 LYS CE C 13 42.047 0.004 . 1 . . . . A 12 LYS CE . 35075 1 104 . 1 . 1 13 13 CYS H H 1 8.544 0.001 . 1 . . . . A 13 CYS H . 35075 1 105 . 1 . 1 13 13 CYS HA H 1 4.487 0.001 . 1 . . . . A 13 CYS HA . 35075 1 106 . 1 . 1 13 13 CYS HB2 H 1 2.988 0.002 . 2 . . . . A 13 CYS HB2 . 35075 1 107 . 1 . 1 13 13 CYS HB3 H 1 3.172 0.002 . 2 . . . . A 13 CYS HB3 . 35075 1 108 . 1 . 1 13 13 CYS CA C 13 55.819 0.000 . 1 . . . . A 13 CYS CA . 35075 1 109 . 1 . 1 13 13 CYS CB C 13 41.269 0.005 . 1 . . . . A 13 CYS CB . 35075 1 110 . 1 . 1 14 14 THR H H 1 8.170 0.001 . 1 . . . . A 14 THR H . 35075 1 111 . 1 . 1 14 14 THR HA H 1 4.424 0.000 . 1 . . . . A 14 THR HA . 35075 1 112 . 1 . 1 14 14 THR HB H 1 4.232 0.010 . 1 . . . . A 14 THR HB . 35075 1 113 . 1 . 1 14 14 THR HG21 H 1 1.077 0.002 . 1 . . . . A 14 THR HG21 . 35075 1 114 . 1 . 1 14 14 THR HG22 H 1 1.077 0.002 . 1 . . . . A 14 THR HG22 . 35075 1 115 . 1 . 1 14 14 THR HG23 H 1 1.077 0.002 . 1 . . . . A 14 THR HG23 . 35075 1 116 . 1 . 1 14 14 THR CA C 13 61.384 0.000 . 1 . . . . A 14 THR CA . 35075 1 117 . 1 . 1 14 14 THR CB C 13 70.212 0.000 . 1 . . . . A 14 THR CB . 35075 1 118 . 1 . 1 14 14 THR CG2 C 13 21.743 0.000 . 1 . . . . A 14 THR CG2 . 35075 1 119 . 1 . 1 15 15 SER H H 1 8.341 0.001 . 1 . . . . A 15 SER H . 35075 1 120 . 1 . 1 15 15 SER HA H 1 4.514 0.001 . 1 . . . . A 15 SER HA . 35075 1 121 . 1 . 1 15 15 SER HB2 H 1 3.829 0.003 . 2 . . . . A 15 SER HB2 . 35075 1 122 . 1 . 1 15 15 SER HB3 H 1 3.905 0.002 . 2 . . . . A 15 SER HB3 . 35075 1 123 . 1 . 1 15 15 SER CA C 13 58.244 0.000 . 1 . . . . A 15 SER CA . 35075 1 124 . 1 . 1 15 15 SER CB C 13 64.204 0.016 . 1 . . . . A 15 SER CB . 35075 1 125 . 1 . 1 16 16 ASP H H 1 8.387 0.001 . 1 . . . . A 16 ASP H . 35075 1 126 . 1 . 1 16 16 ASP HA H 1 4.595 0.000 . 1 . . . . A 16 ASP HA . 35075 1 127 . 1 . 1 16 16 ASP HB2 H 1 2.699 0.006 . 2 . . . . A 16 ASP HB2 . 35075 1 128 . 1 . 1 16 16 ASP HB3 H 1 2.699 0.006 . 2 . . . . A 16 ASP HB3 . 35075 1 129 . 1 . 1 16 16 ASP CB C 13 40.785 0.000 . 1 . . . . A 16 ASP CB . 35075 1 130 . 1 . 1 17 17 GLN H H 1 8.237 0.003 . 1 . . . . A 17 GLN H . 35075 1 131 . 1 . 1 17 17 GLN HA H 1 4.287 0.002 . 1 . . . . A 17 GLN HA . 35075 1 132 . 1 . 1 17 17 GLN HB2 H 1 1.984 0.002 . 1 . . . . A 17 GLN HB2 . 35075 1 133 . 1 . 1 17 17 GLN HB3 H 1 2.143 0.005 . 1 . . . . A 17 GLN HB3 . 35075 1 134 . 1 . 1 17 17 GLN HG2 H 1 2.345 0.002 . 2 . . . . A 17 GLN HG2 . 35075 1 135 . 1 . 1 17 17 GLN HG3 H 1 2.345 0.002 . 2 . . . . A 17 GLN HG3 . 35075 1 136 . 1 . 1 17 17 GLN CA C 13 56.448 0.000 . 1 . . . . A 17 GLN CA . 35075 1 137 . 1 . 1 17 17 GLN CB C 13 29.514 0.017 . 1 . . . . A 17 GLN CB . 35075 1 138 . 1 . 1 17 17 GLN CG C 13 33.949 0.000 . 1 . . . . A 17 GLN CG . 35075 1 139 . 1 . 1 18 18 ASP H H 1 8.223 0.001 . 1 . . . . A 18 ASP H . 35075 1 140 . 1 . 1 18 18 ASP HA H 1 4.624 0.001 . 1 . . . . A 18 ASP HA . 35075 1 141 . 1 . 1 18 18 ASP HB2 H 1 2.733 0.006 . 2 . . . . A 18 ASP HB2 . 35075 1 142 . 1 . 1 18 18 ASP HB3 H 1 2.802 0.002 . 2 . . . . A 18 ASP HB3 . 35075 1 143 . 1 . 1 18 18 ASP CB C 13 41.075 0.006 . 1 . . . . A 18 ASP CB . 35075 1 144 . 1 . 1 19 19 GLU H H 1 8.165 0.002 . 1 . . . . A 19 GLU H . 35075 1 145 . 1 . 1 19 19 GLU HA H 1 4.218 0.003 . 1 . . . . A 19 GLU HA . 35075 1 146 . 1 . 1 19 19 GLU HB2 H 1 1.938 0.004 . 2 . . . . A 19 GLU HB2 . 35075 1 147 . 1 . 1 19 19 GLU HB3 H 1 2.054 0.003 . 2 . . . . A 19 GLU HB3 . 35075 1 148 . 1 . 1 19 19 GLU HG2 H 1 2.312 0.003 . 2 . . . . A 19 GLU HG2 . 35075 1 149 . 1 . 1 19 19 GLU HG3 H 1 2.312 0.003 . 2 . . . . A 19 GLU HG3 . 35075 1 150 . 1 . 1 19 19 GLU CA C 13 56.997 0.000 . 1 . . . . A 19 GLU CA . 35075 1 151 . 1 . 1 19 19 GLU CB C 13 29.612 0.006 . 1 . . . . A 19 GLU CB . 35075 1 152 . 1 . 1 19 19 GLU CG C 13 35.251 0.000 . 1 . . . . A 19 GLU CG . 35075 1 153 . 1 . 1 20 20 GLN H H 1 8.266 0.001 . 1 . . . . A 20 GLN H . 35075 1 154 . 1 . 1 20 20 GLN HA H 1 4.149 0.002 . 1 . . . . A 20 GLN HA . 35075 1 155 . 1 . 1 20 20 GLN HB2 H 1 1.858 0.003 . 1 . . . . A 20 GLN HB2 . 35075 1 156 . 1 . 1 20 20 GLN HB3 H 1 1.911 0.001 . 1 . . . . A 20 GLN HB3 . 35075 1 157 . 1 . 1 20 20 GLN HG2 H 1 2.110 0.003 . 2 . . . . A 20 GLN HG2 . 35075 1 158 . 1 . 1 20 20 GLN HG3 H 1 2.162 0.003 . 2 . . . . A 20 GLN HG3 . 35075 1 159 . 1 . 1 20 20 GLN CA C 13 56.630 0.000 . 1 . . . . A 20 GLN CA . 35075 1 160 . 1 . 1 20 20 GLN CB C 13 29.245 0.025 . 1 . . . . A 20 GLN CB . 35075 1 161 . 1 . 1 20 20 GLN CG C 13 33.890 0.004 . 1 . . . . A 20 GLN CG . 35075 1 162 . 1 . 1 21 21 PHE H H 1 7.918 0.001 . 1 . . . . A 21 PHE H . 35075 1 163 . 1 . 1 21 21 PHE HA H 1 4.579 0.000 . 1 . . . . A 21 PHE HA . 35075 1 164 . 1 . 1 21 21 PHE HB2 H 1 2.989 0.003 . 1 . . . . A 21 PHE HB2 . 35075 1 165 . 1 . 1 21 21 PHE HB3 H 1 3.087 0.002 . 1 . . . . A 21 PHE HB3 . 35075 1 166 . 1 . 1 21 21 PHE HD1 H 1 7.147 0.003 . 1 . . . . A 21 PHE HD1 . 35075 1 167 . 1 . 1 21 21 PHE HD2 H 1 7.147 0.003 . 1 . . . . A 21 PHE HD2 . 35075 1 168 . 1 . 1 21 21 PHE CB C 13 39.489 0.009 . 1 . . . . A 21 PHE CB . 35075 1 169 . 1 . 1 22 22 ILE H H 1 7.779 0.001 . 1 . . . . A 22 ILE H . 35075 1 170 . 1 . 1 22 22 ILE HA H 1 4.302 0.003 . 1 . . . . A 22 ILE HA . 35075 1 171 . 1 . 1 22 22 ILE HB H 1 1.734 0.002 . 1 . . . . A 22 ILE HB . 35075 1 172 . 1 . 1 22 22 ILE HG12 H 1 1.371 0.002 . 2 . . . . A 22 ILE HG12 . 35075 1 173 . 1 . 1 22 22 ILE HG13 H 1 1.023 0.003 . 2 . . . . A 22 ILE HG13 . 35075 1 174 . 1 . 1 22 22 ILE HG21 H 1 0.811 0.002 . 1 . . . . A 22 ILE HG21 . 35075 1 175 . 1 . 1 22 22 ILE HG22 H 1 0.811 0.002 . 1 . . . . A 22 ILE HG22 . 35075 1 176 . 1 . 1 22 22 ILE HG23 H 1 0.811 0.002 . 1 . . . . A 22 ILE HG23 . 35075 1 177 . 1 . 1 22 22 ILE HD11 H 1 0.762 0.003 . 1 . . . . A 22 ILE HD11 . 35075 1 178 . 1 . 1 22 22 ILE HD12 H 1 0.762 0.003 . 1 . . . . A 22 ILE HD12 . 35075 1 179 . 1 . 1 22 22 ILE HD13 H 1 0.762 0.003 . 1 . . . . A 22 ILE HD13 . 35075 1 180 . 1 . 1 22 22 ILE CA C 13 58.638 0.000 . 1 . . . . A 22 ILE CA . 35075 1 181 . 1 . 1 22 22 ILE CB C 13 38.781 0.000 . 1 . . . . A 22 ILE CB . 35075 1 182 . 1 . 1 22 22 ILE CG1 C 13 27.074 0.003 . 1 . . . . A 22 ILE CG1 . 35075 1 183 . 1 . 1 22 22 ILE CG2 C 13 17.313 0.000 . 1 . . . . A 22 ILE CG2 . 35075 1 184 . 1 . 1 22 22 ILE CD1 C 13 12.824 0.000 . 1 . . . . A 22 ILE CD1 . 35075 1 185 . 1 . 1 23 23 PRO HA H 1 4.283 0.002 . 1 . . . . A 23 PRO HA . 35075 1 186 . 1 . 1 23 23 PRO HB2 H 1 1.822 0.001 . 2 . . . . A 23 PRO HB2 . 35075 1 187 . 1 . 1 23 23 PRO HB3 H 1 2.161 0.002 . 2 . . . . A 23 PRO HB3 . 35075 1 188 . 1 . 1 23 23 PRO HG2 H 1 1.822 0.000 . 2 . . . . A 23 PRO HG2 . 35075 1 189 . 1 . 1 23 23 PRO HG3 H 1 1.872 0.000 . 2 . . . . A 23 PRO HG3 . 35075 1 190 . 1 . 1 23 23 PRO HD2 H 1 3.588 0.001 . 1 . . . . A 23 PRO HD2 . 35075 1 191 . 1 . 1 23 23 PRO HD3 H 1 3.433 0.003 . 1 . . . . A 23 PRO HD3 . 35075 1 192 . 1 . 1 23 23 PRO CA C 13 63.426 0.000 . 1 . . . . A 23 PRO CA . 35075 1 193 . 1 . 1 23 23 PRO CB C 13 31.974 0.007 . 1 . . . . A 23 PRO CB . 35075 1 194 . 1 . 1 23 23 PRO CG C 13 27.436 0.006 . 1 . . . . A 23 PRO CG . 35075 1 195 . 1 . 1 23 23 PRO CD C 13 50.915 0.008 . 1 . . . . A 23 PRO CD . 35075 1 196 . 1 . 1 24 24 LYS H H 1 8.123 0.001 . 1 . . . . A 24 LYS H . 35075 1 197 . 1 . 1 24 24 LYS HA H 1 4.242 0.003 . 1 . . . . A 24 LYS HA . 35075 1 198 . 1 . 1 24 24 LYS HB2 H 1 1.740 0.002 . 2 . . . . A 24 LYS HB2 . 35075 1 199 . 1 . 1 24 24 LYS HB3 H 1 1.802 0.001 . 2 . . . . A 24 LYS HB3 . 35075 1 200 . 1 . 1 24 24 LYS HG2 H 1 1.378 0.004 . 2 . . . . A 24 LYS HG2 . 35075 1 201 . 1 . 1 24 24 LYS HG3 H 1 1.416 0.002 . 2 . . . . A 24 LYS HG3 . 35075 1 202 . 1 . 1 24 24 LYS HD2 H 1 1.635 0.001 . 2 . . . . A 24 LYS HD2 . 35075 1 203 . 1 . 1 24 24 LYS HD3 H 1 1.635 0.001 . 2 . . . . A 24 LYS HD3 . 35075 1 204 . 1 . 1 24 24 LYS HE2 H 1 2.949 0.001 . 2 . . . . A 24 LYS HE2 . 35075 1 205 . 1 . 1 24 24 LYS HE3 H 1 2.949 0.001 . 2 . . . . A 24 LYS HE3 . 35075 1 206 . 1 . 1 24 24 LYS CA C 13 56.487 0.000 . 1 . . . . A 24 LYS CA . 35075 1 207 . 1 . 1 24 24 LYS CB C 13 32.962 0.013 . 1 . . . . A 24 LYS CB . 35075 1 208 . 1 . 1 24 24 LYS CG C 13 24.762 0.001 . 1 . . . . A 24 LYS CG . 35075 1 209 . 1 . 1 24 24 LYS CD C 13 29.171 0.000 . 1 . . . . A 24 LYS CD . 35075 1 210 . 1 . 1 24 24 LYS CE C 13 42.228 0.000 . 1 . . . . A 24 LYS CE . 35075 1 211 . 1 . 1 25 25 GLY H H 1 8.316 0.002 . 1 . . . . A 25 GLY H . 35075 1 212 . 1 . 1 25 25 GLY HA2 H 1 3.903 0.003 . 2 . . . . A 25 GLY HA2 . 35075 1 213 . 1 . 1 25 25 GLY HA3 H 1 3.986 0.002 . 2 . . . . A 25 GLY HA3 . 35075 1 214 . 1 . 1 25 25 GLY CA C 13 45.526 0.010 . 1 . . . . A 25 GLY CA . 35075 1 215 . 1 . 1 26 26 CYS H H 1 7.893 0.001 . 1 . . . . A 26 CYS H . 35075 1 216 . 1 . 1 26 26 CYS HA H 1 4.580 0.001 . 1 . . . . A 26 CYS HA . 35075 1 217 . 1 . 1 26 26 CYS HB2 H 1 3.087 0.002 . 2 . . . . A 26 CYS HB2 . 35075 1 218 . 1 . 1 26 26 CYS HB3 H 1 3.316 0.001 . 2 . . . . A 26 CYS HB3 . 35075 1 219 . 1 . 1 26 26 CYS CB C 13 43.041 0.021 . 1 . . . . A 26 CYS CB . 35075 1 stop_ save_