################################### # 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 31219 _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' . . . 31219 1 2 '2D NOESY' . . . 31219 1 3 '2D 1H-15N HSQC' . . . 31219 1 4 '2D 1H-13C HSQC aliphatic' . . . 31219 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 ASP HA H 1 4.285 0.003 . 1 . . . . A 1 ASP HA . 31219 1 2 . 1 . 1 1 1 ASP HB2 H 1 3.035 0.015 . 2 . . . . A 1 ASP HB2 . 31219 1 3 . 1 . 1 1 1 ASP HB3 H 1 3.052 0.004 . 2 . . . . A 1 ASP HB3 . 31219 1 4 . 1 . 1 1 1 ASP CA C 13 52.924 0.000 . 1 . . . . A 1 ASP CA . 31219 1 5 . 1 . 1 1 1 ASP CB C 13 38.921 0.001 . 1 . . . . A 1 ASP CB . 31219 1 6 . 1 . 1 2 2 CYS H H 1 9.000 0.003 . 1 . . . . A 2 CYS H . 31219 1 7 . 1 . 1 2 2 CYS HA H 1 4.421 0.002 . 1 . . . . A 2 CYS HA . 31219 1 8 . 1 . 1 2 2 CYS HB2 H 1 2.799 0.006 . 2 . . . . A 2 CYS HB2 . 31219 1 9 . 1 . 1 2 2 CYS HB3 H 1 3.300 0.003 . 2 . . . . A 2 CYS HB3 . 31219 1 10 . 1 . 1 2 2 CYS CA C 13 59.157 0.000 . 1 . . . . A 2 CYS CA . 31219 1 11 . 1 . 1 2 2 CYS CB C 13 42.439 0.001 . 1 . . . . A 2 CYS CB . 31219 1 12 . 1 . 1 2 2 CYS N N 15 119.710 0.000 . 1 . . . . A 2 CYS N . 31219 1 13 . 1 . 1 3 3 CYS H H 1 7.915 0.003 . 1 . . . . A 3 CYS H . 31219 1 14 . 1 . 1 3 3 CYS HA H 1 4.767 0.007 . 1 . . . . A 3 CYS HA . 31219 1 15 . 1 . 1 3 3 CYS HB2 H 1 2.816 0.005 . 2 . . . . A 3 CYS HB2 . 31219 1 16 . 1 . 1 3 3 CYS HB3 H 1 3.527 0.006 . 2 . . . . A 3 CYS HB3 . 31219 1 17 . 1 . 1 3 3 CYS CA C 13 54.637 0.000 . 1 . . . . A 3 CYS CA . 31219 1 18 . 1 . 1 3 3 CYS CB C 13 35.281 0.004 . 1 . . . . A 3 CYS CB . 31219 1 19 . 1 . 1 3 3 CYS N N 15 109.771 0.000 . 1 . . . . A 3 CYS N . 31219 1 20 . 1 . 1 4 4 SER H H 1 7.658 0.003 . 1 . . . . A 4 SER H . 31219 1 21 . 1 . 1 4 4 SER HA H 1 4.789 0.009 . 1 . . . . A 4 SER HA . 31219 1 22 . 1 . 1 4 4 SER HB2 H 1 3.975 0.002 . 2 . . . . A 4 SER HB2 . 31219 1 23 . 1 . 1 4 4 SER HB3 H 1 4.087 0.004 . 2 . . . . A 4 SER HB3 . 31219 1 24 . 1 . 1 4 4 SER CA C 13 57.921 0.000 . 1 . . . . A 4 SER CA . 31219 1 25 . 1 . 1 4 4 SER CB C 13 64.113 0.027 . 1 . . . . A 4 SER CB . 31219 1 26 . 1 . 1 4 4 SER N N 15 112.766 0.000 . 1 . . . . A 4 SER N . 31219 1 27 . 1 . 1 5 5 GLU H H 1 8.134 0.004 . 1 . . . . A 5 GLU H . 31219 1 28 . 1 . 1 5 5 GLU HA H 1 5.146 0.005 . 1 . . . . A 5 GLU HA . 31219 1 29 . 1 . 1 5 5 GLU HB2 H 1 1.967 0.005 . 2 . . . . A 5 GLU HB2 . 31219 1 30 . 1 . 1 5 5 GLU HB3 H 1 2.540 0.003 . 2 . . . . A 5 GLU HB3 . 31219 1 31 . 1 . 1 5 5 GLU HG2 H 1 2.489 0.014 . 2 . . . . A 5 GLU HG2 . 31219 1 32 . 1 . 1 5 5 GLU HG3 H 1 2.638 0.006 . 2 . . . . A 5 GLU HG3 . 31219 1 33 . 1 . 1 5 5 GLU CA C 13 51.879 0.000 . 1 . . . . A 5 GLU CA . 31219 1 34 . 1 . 1 5 5 GLU CB C 13 29.927 0.013 . 1 . . . . A 5 GLU CB . 31219 1 35 . 1 . 1 5 5 GLU CG C 13 31.956 0.004 . 1 . . . . A 5 GLU CG . 31219 1 36 . 1 . 1 5 5 GLU N N 15 121.093 0.000 . 1 . . . . A 5 GLU N . 31219 1 37 . 1 . 1 6 6 PRO HA H 1 4.389 0.002 . 1 . . . . A 6 PRO HA . 31219 1 38 . 1 . 1 6 6 PRO HB2 H 1 2.045 0.006 . 2 . . . . A 6 PRO HB2 . 31219 1 39 . 1 . 1 6 6 PRO HB3 H 1 2.356 0.002 . 2 . . . . A 6 PRO HB3 . 31219 1 40 . 1 . 1 6 6 PRO HG2 H 1 2.046 0.007 . 2 . . . . A 6 PRO HG2 . 31219 1 41 . 1 . 1 6 6 PRO HG3 H 1 2.295 0.003 . 2 . . . . A 6 PRO HG3 . 31219 1 42 . 1 . 1 6 6 PRO HD2 H 1 3.800 0.003 . 2 . . . . A 6 PRO HD2 . 31219 1 43 . 1 . 1 6 6 PRO HD3 H 1 4.186 0.003 . 2 . . . . A 6 PRO HD3 . 31219 1 44 . 1 . 1 6 6 PRO CA C 13 67.442 0.000 . 1 . . . . A 6 PRO CA . 31219 1 45 . 1 . 1 6 6 PRO CB C 13 28.945 0.002 . 1 . . . . A 6 PRO CB . 31219 1 46 . 1 . 1 6 6 PRO CG C 13 27.109 0.000 . 1 . . . . A 6 PRO CG . 31219 1 47 . 1 . 1 6 6 PRO CD C 13 50.306 0.007 . 1 . . . . A 6 PRO CD . 31219 1 48 . 1 . 1 7 7 PRO HA H 1 4.317 0.002 . 1 . . . . A 7 PRO HA . 31219 1 49 . 1 . 1 7 7 PRO HB2 H 1 1.794 0.007 . 2 . . . . A 7 PRO HB2 . 31219 1 50 . 1 . 1 7 7 PRO HB3 H 1 2.328 0.008 . 2 . . . . A 7 PRO HB3 . 31219 1 51 . 1 . 1 7 7 PRO HG2 H 1 2.051 0.004 . 2 . . . . A 7 PRO HG2 . 31219 1 52 . 1 . 1 7 7 PRO HG3 H 1 2.051 0.004 . 2 . . . . A 7 PRO HG3 . 31219 1 53 . 1 . 1 7 7 PRO HD2 H 1 3.380 0.003 . 2 . . . . A 7 PRO HD2 . 31219 1 54 . 1 . 1 7 7 PRO HD3 H 1 3.665 0.005 . 2 . . . . A 7 PRO HD3 . 31219 1 55 . 1 . 1 7 7 PRO CA C 13 66.058 0.000 . 1 . . . . A 7 PRO CA . 31219 1 56 . 1 . 1 7 7 PRO CB C 13 30.552 0.006 . 1 . . . . A 7 PRO CB . 31219 1 57 . 1 . 1 7 7 PRO CG C 13 28.153 0.000 . 1 . . . . A 7 PRO CG . 31219 1 58 . 1 . 1 7 7 PRO CD C 13 49.534 0.010 . 1 . . . . A 7 PRO CD . 31219 1 59 . 1 . 1 8 8 CYS H H 1 7.491 0.003 . 1 . . . . A 8 CYS H . 31219 1 60 . 1 . 1 8 8 CYS HA H 1 4.221 0.002 . 1 . . . . A 8 CYS HA . 31219 1 61 . 1 . 1 8 8 CYS HB2 H 1 3.203 0.003 . 2 . . . . A 8 CYS HB2 . 31219 1 62 . 1 . 1 8 8 CYS HB3 H 1 4.511 0.001 . 2 . . . . A 8 CYS HB3 . 31219 1 63 . 1 . 1 8 8 CYS CA C 13 60.788 0.000 . 1 . . . . A 8 CYS CA . 31219 1 64 . 1 . 1 8 8 CYS CB C 13 42.670 0.004 . 1 . . . . A 8 CYS CB . 31219 1 65 . 1 . 1 8 8 CYS N N 15 116.033 0.000 . 1 . . . . A 8 CYS N . 31219 1 66 . 1 . 1 9 9 ILE H H 1 8.178 0.003 . 1 . . . . A 9 ILE H . 31219 1 67 . 1 . 1 9 9 ILE HA H 1 3.480 0.004 . 1 . . . . A 9 ILE HA . 31219 1 68 . 1 . 1 9 9 ILE HB H 1 1.947 0.006 . 1 . . . . A 9 ILE HB . 31219 1 69 . 1 . 1 9 9 ILE HG12 H 1 0.998 0.002 . 2 . . . . A 9 ILE HG12 . 31219 1 70 . 1 . 1 9 9 ILE HG13 H 1 2.031 0.003 . 2 . . . . A 9 ILE HG13 . 31219 1 71 . 1 . 1 9 9 ILE HG21 H 1 0.853 0.004 . 1 . . . . A 9 ILE HG21 . 31219 1 72 . 1 . 1 9 9 ILE HG22 H 1 0.853 0.004 . 1 . . . . A 9 ILE HG22 . 31219 1 73 . 1 . 1 9 9 ILE HG23 H 1 0.853 0.004 . 1 . . . . A 9 ILE HG23 . 31219 1 74 . 1 . 1 9 9 ILE HD11 H 1 0.780 0.005 . 1 . . . . A 9 ILE HD11 . 31219 1 75 . 1 . 1 9 9 ILE HD12 H 1 0.780 0.005 . 1 . . . . A 9 ILE HD12 . 31219 1 76 . 1 . 1 9 9 ILE HD13 H 1 0.780 0.005 . 1 . . . . A 9 ILE HD13 . 31219 1 77 . 1 . 1 9 9 ILE CA C 13 66.007 0.000 . 1 . . . . A 9 ILE CA . 31219 1 78 . 1 . 1 9 9 ILE CB C 13 38.926 0.000 . 1 . . . . A 9 ILE CB . 31219 1 79 . 1 . 1 9 9 ILE CG1 C 13 29.691 0.024 . 1 . . . . A 9 ILE CG1 . 31219 1 80 . 1 . 1 9 9 ILE CG2 C 13 16.987 0.000 . 1 . . . . A 9 ILE CG2 . 31219 1 81 . 1 . 1 9 9 ILE CD1 C 13 13.796 0.000 . 1 . . . . A 9 ILE CD1 . 31219 1 82 . 1 . 1 9 9 ILE N N 15 122.699 0.000 . 1 . . . . A 9 ILE N . 31219 1 83 . 1 . 1 10 10 LEU H H 1 7.852 0.004 . 1 . . . . A 10 LEU H . 31219 1 84 . 1 . 1 10 10 LEU HA H 1 3.983 0.003 . 1 . . . . A 10 LEU HA . 31219 1 85 . 1 . 1 10 10 LEU HB2 H 1 1.516 0.007 . 2 . . . . A 10 LEU HB2 . 31219 1 86 . 1 . 1 10 10 LEU HB3 H 1 1.761 0.005 . 2 . . . . A 10 LEU HB3 . 31219 1 87 . 1 . 1 10 10 LEU HG H 1 1.796 0.000 . 1 . . . . A 10 LEU HG . 31219 1 88 . 1 . 1 10 10 LEU HD11 H 1 0.866 0.007 . 2 . . . . A 10 LEU HD11 . 31219 1 89 . 1 . 1 10 10 LEU HD12 H 1 0.866 0.007 . 2 . . . . A 10 LEU HD12 . 31219 1 90 . 1 . 1 10 10 LEU HD13 H 1 0.866 0.007 . 2 . . . . A 10 LEU HD13 . 31219 1 91 . 1 . 1 10 10 LEU HD21 H 1 0.863 0.006 . 2 . . . . A 10 LEU HD21 . 31219 1 92 . 1 . 1 10 10 LEU HD22 H 1 0.863 0.006 . 2 . . . . A 10 LEU HD22 . 31219 1 93 . 1 . 1 10 10 LEU HD23 H 1 0.863 0.006 . 2 . . . . A 10 LEU HD23 . 31219 1 94 . 1 . 1 10 10 LEU CA C 13 57.383 0.000 . 1 . . . . A 10 LEU CA . 31219 1 95 . 1 . 1 10 10 LEU CB C 13 42.077 0.001 . 1 . . . . A 10 LEU CB . 31219 1 96 . 1 . 1 10 10 LEU CG C 13 27.007 0.000 . 1 . . . . A 10 LEU CG . 31219 1 97 . 1 . 1 10 10 LEU CD1 C 13 22.545 0.000 . 1 . . . . A 10 LEU CD1 . 31219 1 98 . 1 . 1 10 10 LEU CD2 C 13 24.347 0.000 . 1 . . . . A 10 LEU CD2 . 31219 1 99 . 1 . 1 10 10 LEU N N 15 115.408 0.000 . 1 . . . . A 10 LEU N . 31219 1 100 . 1 . 1 11 11 GLN H H 1 7.140 0.006 . 1 . . . . A 11 GLN H . 31219 1 101 . 1 . 1 11 11 GLN HA H 1 4.285 0.004 . 1 . . . . A 11 GLN HA . 31219 1 102 . 1 . 1 11 11 GLN HB2 H 1 2.086 0.003 . 2 . . . . A 11 GLN HB2 . 31219 1 103 . 1 . 1 11 11 GLN HB3 H 1 2.283 0.003 . 2 . . . . A 11 GLN HB3 . 31219 1 104 . 1 . 1 11 11 GLN HG2 H 1 2.388 0.004 . 2 . . . . A 11 GLN HG2 . 31219 1 105 . 1 . 1 11 11 GLN HG3 H 1 2.634 0.005 . 2 . . . . A 11 GLN HG3 . 31219 1 106 . 1 . 1 11 11 GLN CA C 13 56.751 0.000 . 1 . . . . A 11 GLN CA . 31219 1 107 . 1 . 1 11 11 GLN CB C 13 30.663 0.001 . 1 . . . . A 11 GLN CB . 31219 1 108 . 1 . 1 11 11 GLN CG C 13 34.613 0.001 . 1 . . . . A 11 GLN CG . 31219 1 109 . 1 . 1 11 11 GLN N N 15 113.441 0.000 . 1 . . . . A 11 GLN N . 31219 1 110 . 1 . 1 12 12 ASN H H 1 7.724 0.003 . 1 . . . . A 12 ASN H . 31219 1 111 . 1 . 1 12 12 ASN HA H 1 5.348 0.003 . 1 . . . . A 12 ASN HA . 31219 1 112 . 1 . 1 12 12 ASN HB2 H 1 2.650 0.011 . 2 . . . . A 12 ASN HB2 . 31219 1 113 . 1 . 1 12 12 ASN HB3 H 1 2.832 0.002 . 2 . . . . A 12 ASN HB3 . 31219 1 114 . 1 . 1 12 12 ASN CA C 13 51.860 0.000 . 1 . . . . A 12 ASN CA . 31219 1 115 . 1 . 1 12 12 ASN CB C 13 40.645 0.009 . 1 . . . . A 12 ASN CB . 31219 1 116 . 1 . 1 12 12 ASN N N 15 116.387 0.000 . 1 . . . . A 12 ASN N . 31219 1 117 . 1 . 1 13 13 PRO HA H 1 4.439 0.002 . 1 . . . . A 13 PRO HA . 31219 1 118 . 1 . 1 13 13 PRO HB2 H 1 1.982 0.000 . 2 . . . . A 13 PRO HB2 . 31219 1 119 . 1 . 1 13 13 PRO HB3 H 1 2.349 0.003 . 2 . . . . A 13 PRO HB3 . 31219 1 120 . 1 . 1 13 13 PRO HG2 H 1 1.991 0.006 . 2 . . . . A 13 PRO HG2 . 31219 1 121 . 1 . 1 13 13 PRO HG3 H 1 2.096 0.000 . 2 . . . . A 13 PRO HG3 . 31219 1 122 . 1 . 1 13 13 PRO HD2 H 1 3.552 0.004 . 2 . . . . A 13 PRO HD2 . 31219 1 123 . 1 . 1 13 13 PRO HD3 H 1 3.683 0.004 . 2 . . . . A 13 PRO HD3 . 31219 1 124 . 1 . 1 13 13 PRO CA C 13 65.603 0.000 . 1 . . . . A 13 PRO CA . 31219 1 125 . 1 . 1 13 13 PRO CB C 13 31.273 0.003 . 1 . . . . A 13 PRO CB . 31219 1 126 . 1 . 1 13 13 PRO CG C 13 27.335 0.000 . 1 . . . . A 13 PRO CG . 31219 1 127 . 1 . 1 13 13 PRO CD C 13 50.527 0.010 . 1 . . . . A 13 PRO CD . 31219 1 128 . 1 . 1 14 14 ASP H H 1 8.511 0.003 . 1 . . . . A 14 ASP H . 31219 1 129 . 1 . 1 14 14 ASP HA H 1 4.528 0.002 . 1 . . . . A 14 ASP HA . 31219 1 130 . 1 . 1 14 14 ASP HB2 H 1 2.950 0.003 . 2 . . . . A 14 ASP HB2 . 31219 1 131 . 1 . 1 14 14 ASP HB3 H 1 2.950 0.003 . 2 . . . . A 14 ASP HB3 . 31219 1 132 . 1 . 1 14 14 ASP CA C 13 54.773 0.000 . 1 . . . . A 14 ASP CA . 31219 1 133 . 1 . 1 14 14 ASP CB C 13 37.164 0.000 . 1 . . . . A 14 ASP CB . 31219 1 134 . 1 . 1 14 14 ASP N N 15 114.545 0.000 . 1 . . . . A 14 ASP N . 31219 1 135 . 1 . 1 15 15 ILE H H 1 7.399 0.004 . 1 . . . . A 15 ILE H . 31219 1 136 . 1 . 1 15 15 ILE HA H 1 4.233 0.003 . 1 . . . . A 15 ILE HA . 31219 1 137 . 1 . 1 15 15 ILE HB H 1 1.973 0.004 . 1 . . . . A 15 ILE HB . 31219 1 138 . 1 . 1 15 15 ILE HG12 H 1 1.237 0.006 . 2 . . . . A 15 ILE HG12 . 31219 1 139 . 1 . 1 15 15 ILE HG13 H 1 1.586 0.002 . 2 . . . . A 15 ILE HG13 . 31219 1 140 . 1 . 1 15 15 ILE HG21 H 1 0.927 0.003 . 1 . . . . A 15 ILE HG21 . 31219 1 141 . 1 . 1 15 15 ILE HG22 H 1 0.927 0.003 . 1 . . . . A 15 ILE HG22 . 31219 1 142 . 1 . 1 15 15 ILE HG23 H 1 0.927 0.003 . 1 . . . . A 15 ILE HG23 . 31219 1 143 . 1 . 1 15 15 ILE HD11 H 1 0.857 0.000 . 1 . . . . A 15 ILE HD11 . 31219 1 144 . 1 . 1 15 15 ILE HD12 H 1 0.857 0.000 . 1 . . . . A 15 ILE HD12 . 31219 1 145 . 1 . 1 15 15 ILE HD13 H 1 0.857 0.000 . 1 . . . . A 15 ILE HD13 . 31219 1 146 . 1 . 1 15 15 ILE CA C 13 62.465 0.000 . 1 . . . . A 15 ILE CA . 31219 1 147 . 1 . 1 15 15 ILE CB C 13 38.925 0.000 . 1 . . . . A 15 ILE CB . 31219 1 148 . 1 . 1 15 15 ILE CG1 C 13 27.571 0.009 . 1 . . . . A 15 ILE CG1 . 31219 1 149 . 1 . 1 15 15 ILE CG2 C 13 17.357 0.000 . 1 . . . . A 15 ILE CG2 . 31219 1 150 . 1 . 1 15 15 ILE CD1 C 13 12.160 0.000 . 1 . . . . A 15 ILE CD1 . 31219 1 151 . 1 . 1 15 15 ILE N N 15 116.436 0.000 . 1 . . . . A 15 ILE N . 31219 1 152 . 1 . 1 16 16 CYS H H 1 7.711 0.006 . 1 . . . . A 16 CYS H . 31219 1 153 . 1 . 1 16 16 CYS HA H 1 4.926 0.006 . 1 . . . . A 16 CYS HA . 31219 1 154 . 1 . 1 16 16 CYS HB2 H 1 2.602 0.003 . 2 . . . . A 16 CYS HB2 . 31219 1 155 . 1 . 1 16 16 CYS HB3 H 1 3.339 0.005 . 2 . . . . A 16 CYS HB3 . 31219 1 156 . 1 . 1 16 16 CYS CA C 13 53.381 0.000 . 1 . . . . A 16 CYS CA . 31219 1 157 . 1 . 1 16 16 CYS CB C 13 38.686 0.002 . 1 . . . . A 16 CYS CB . 31219 1 158 . 1 . 1 16 16 CYS N N 15 116.626 0.000 . 1 . . . . A 16 CYS N . 31219 1 stop_ save_