################################### # 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 36213 _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-15N HSQC' 1 $sample_1 isotropic 36213 1 2 '2D 1H-13C HSQC' 1 $sample_1 isotropic 36213 1 3 '2D 1H-1H TOCSY' 1 $sample_1 isotropic 36213 1 4 '2D 1H-1H NOESY' 1 $sample_1 isotropic 36213 1 5 '2D 1H-13C HSQC' 1 $sample_1 isotropic 36213 1 6 '2D 1H-1H TOCSY' 1 $sample_1 isotropic 36213 1 7 '2D 1H-1H NOESY' 1 $sample_1 isotropic 36213 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 ACE CH3 C 13 24.666 0.10 . 1 . . . . A 1 ACE CH3 . 36213 1 2 . 1 . 1 1 1 ACE H1 H 1 1.976 0.01 . 1 . . . . A 1 ACE H1 . 36213 1 3 . 1 . 1 1 1 ACE H2 H 1 1.976 0.01 . 1 . . . . A 1 ACE H2 . 36213 1 4 . 1 . 1 1 1 ACE H3 H 1 1.976 0.01 . 1 . . . . A 1 ACE H3 . 36213 1 5 . 1 . 1 2 2 GLY CA C 13 44.591 0.10 . 1 . . . . A 2 GLY CA . 36213 1 6 . 1 . 1 2 2 GLY H H 1 7.866 0.01 . 1 . . . . A 2 GLY H . 36213 1 7 . 1 . 1 2 2 GLY HA2 H 1 3.866 0.01 . 2 . . . . A 2 GLY HA2 . 36213 1 8 . 1 . 1 2 2 GLY HA3 H 1 3.742 0.01 . 2 . . . . A 2 GLY HA3 . 36213 1 9 . 1 . 1 2 2 GLY N N 15 111.881 0.10 . 1 . . . . A 2 GLY N . 36213 1 10 . 1 . 1 3 3 CYS CA C 13 52.865 0.10 . 1 . . . . A 3 CYS CA . 36213 1 11 . 1 . 1 3 3 CYS CB C 13 42.167 0.10 . 1 . . . . A 3 CYS CB . 36213 1 12 . 1 . 1 3 3 CYS H H 1 8.311 0.01 . 1 . . . . A 3 CYS H . 36213 1 13 . 1 . 1 3 3 CYS HA H 1 4.785 0.01 . 1 . . . . A 3 CYS HA . 36213 1 14 . 1 . 1 3 3 CYS HB2 H 1 3.038 0.01 . 2 . . . . A 3 CYS HB2 . 36213 1 15 . 1 . 1 3 3 CYS HB3 H 1 2.972 0.01 . 2 . . . . A 3 CYS HB3 . 36213 1 16 . 1 . 1 3 3 CYS N N 15 119.778 0.10 . 1 . . . . A 3 CYS N . 36213 1 17 . 1 . 1 4 4 PRO CA C 13 63.578 0.10 . 1 . . . . A 4 PRO CA . 36213 1 18 . 1 . 1 4 4 PRO CB C 13 31.880 0.10 . 1 . . . . A 4 PRO CB . 36213 1 19 . 1 . 1 4 4 PRO CD C 13 50.724 0.10 . 1 . . . . A 4 PRO CD . 36213 1 20 . 1 . 1 4 4 PRO CG C 13 26.724 0.10 . 1 . . . . A 4 PRO CG . 36213 1 21 . 1 . 1 4 4 PRO HA H 1 4.517 0.01 . 1 . . . . A 4 PRO HA . 36213 1 22 . 1 . 1 4 4 PRO HB2 H 1 2.097 0.01 . 1 . . . . A 4 PRO HB2 . 36213 1 23 . 1 . 1 4 4 PRO HB3 H 1 2.032 0.01 . 1 . . . . A 4 PRO HB3 . 36213 1 24 . 1 . 1 4 4 PRO HD2 H 1 4.017 0.01 . 1 . . . . A 4 PRO HD2 . 36213 1 25 . 1 . 1 4 4 PRO HD3 H 1 3.795 0.01 . 1 . . . . A 4 PRO HD3 . 36213 1 26 . 1 . 1 4 4 PRO HG2 H 1 1.854 0.01 . 1 . . . . A 4 PRO HG2 . 36213 1 27 . 1 . 1 4 4 PRO HG3 H 1 2.084 0.01 . 1 . . . . A 4 PRO HG3 . 36213 1 28 . 1 . 1 5 5 CYS CA C 13 55.330 0.10 . 1 . . . . A 5 CYS CA . 36213 1 29 . 1 . 1 5 5 CYS CB C 13 44.573 0.10 . 1 . . . . A 5 CYS CB . 36213 1 30 . 1 . 1 5 5 CYS H H 1 7.122 0.01 . 1 . . . . A 5 CYS H . 36213 1 31 . 1 . 1 5 5 CYS HA H 1 4.664 0.01 . 1 . . . . A 5 CYS HA . 36213 1 32 . 1 . 1 5 5 CYS HB2 H 1 3.169 0.01 . 2 . . . . A 5 CYS HB2 . 36213 1 33 . 1 . 1 5 5 CYS HB3 H 1 3.024 0.01 . 2 . . . . A 5 CYS HB3 . 36213 1 34 . 1 . 1 5 5 CYS N N 15 117.367 0.10 . 1 . . . . A 5 CYS N . 36213 1 35 . 1 . 1 6 6 ILE CA C 13 63.957 0.10 . 1 . . . . A 6 ILE CA . 36213 1 36 . 1 . 1 6 6 ILE CB C 13 38.058 0.10 . 1 . . . . A 6 ILE CB . 36213 1 37 . 1 . 1 6 6 ILE CD1 C 13 13.322 0.10 . 1 . . . . A 6 ILE CD1 . 36213 1 38 . 1 . 1 6 6 ILE CG1 C 13 28.320 0.10 . 1 . . . . A 6 ILE CG1 . 36213 1 39 . 1 . 1 6 6 ILE CG2 C 13 16.788 0.10 . 1 . . . . A 6 ILE CG2 . 36213 1 40 . 1 . 1 6 6 ILE H H 1 7.939 0.01 . 1 . . . . A 6 ILE H . 36213 1 41 . 1 . 1 6 6 ILE HA H 1 3.486 0.01 . 1 . . . . A 6 ILE HA . 36213 1 42 . 1 . 1 6 6 ILE HB H 1 1.408 0.01 . 1 . . . . A 6 ILE HB . 36213 1 43 . 1 . 1 6 6 ILE HG12 H 1 0.944 0.01 . 2 . . . . A 6 ILE HG12 . 36213 1 44 . 1 . 1 6 6 ILE HG13 H 1 1.302 0.01 . 2 . . . . A 6 ILE HG13 . 36213 1 45 . 1 . 1 6 6 ILE N N 15 123.440 0.10 . 1 . . . . A 6 ILE N . 36213 1 46 . 1 . 1 6 6 ILE HD11 H 1 0.736 0.01 . 1 . . . . A 6 ILE HD11 . 36213 1 47 . 1 . 1 6 6 ILE HD12 H 1 0.736 0.01 . 1 . . . . A 6 ILE HD12 . 36213 1 48 . 1 . 1 6 6 ILE HD13 H 1 0.736 0.01 . 1 . . . . A 6 ILE HD13 . 36213 1 49 . 1 . 1 6 6 ILE HG21 H 1 0.307 0.01 . 1 . . . . A 6 ILE HG21 . 36213 1 50 . 1 . 1 6 6 ILE HG22 H 1 0.307 0.01 . 1 . . . . A 6 ILE HG22 . 36213 1 51 . 1 . 1 6 6 ILE HG23 H 1 0.307 0.01 . 1 . . . . A 6 ILE HG23 . 36213 1 52 . 1 . 1 7 7 TRP CA C 13 53.045 0.10 . 1 . . . . A 7 TRP CA . 36213 1 53 . 1 . 1 7 7 TRP CB C 13 28.765 0.10 . 1 . . . . A 7 TRP CB . 36213 1 54 . 1 . 1 7 7 TRP CD1 C 13 126.579 0.10 . 1 . . . . A 7 TRP CD1 . 36213 1 55 . 1 . 1 7 7 TRP CE3 C 13 121.301 0.10 . 1 . . . . A 7 TRP CE3 . 36213 1 56 . 1 . 1 7 7 TRP CH2 C 13 124.134 0.10 . 1 . . . . A 7 TRP CH2 . 36213 1 57 . 1 . 1 7 7 TRP CZ2 C 13 114.144 0.10 . 1 . . . . A 7 TRP CZ2 . 36213 1 58 . 1 . 1 7 7 TRP CZ3 C 13 121.535 0.10 . 1 . . . . A 7 TRP CZ3 . 36213 1 59 . 1 . 1 7 7 TRP H H 1 7.041 0.01 . 1 . . . . A 7 TRP H . 36213 1 60 . 1 . 1 7 7 TRP HA H 1 5.178 0.01 . 1 . . . . A 7 TRP HA . 36213 1 61 . 1 . 1 7 7 TRP HB2 H 1 3.067 0.01 . 2 . . . . A 7 TRP HB2 . 36213 1 62 . 1 . 1 7 7 TRP HB3 H 1 3.191 0.01 . 2 . . . . A 7 TRP HB3 . 36213 1 63 . 1 . 1 7 7 TRP HD1 H 1 7.119 0.01 . 1 . . . . A 7 TRP HD1 . 36213 1 64 . 1 . 1 7 7 TRP HE1 H 1 9.707 0.01 . 1 . . . . A 7 TRP HE1 . 36213 1 65 . 1 . 1 7 7 TRP HE3 H 1 7.687 0.01 . 1 . . . . A 7 TRP HE3 . 36213 1 66 . 1 . 1 7 7 TRP HH2 H 1 7.124 0.01 . 1 . . . . A 7 TRP HH2 . 36213 1 67 . 1 . 1 7 7 TRP HZ2 H 1 7.366 0.01 . 1 . . . . A 7 TRP HZ2 . 36213 1 68 . 1 . 1 7 7 TRP HZ3 H 1 7.061 0.01 . 1 . . . . A 7 TRP HZ3 . 36213 1 69 . 1 . 1 7 7 TRP N N 15 116.588 0.10 . 1 . . . . A 7 TRP N . 36213 1 70 . 1 . 1 7 7 TRP NE1 N 15 127.622 0.10 . 1 . . . . A 7 TRP NE1 . 36213 1 71 . 1 . 1 8 8 PRO CA C 13 66.250 0.10 . 1 . . . . A 8 PRO CA . 36213 1 72 . 1 . 1 8 8 PRO CB C 13 33.109 0.10 . 1 . . . . A 8 PRO CB . 36213 1 73 . 1 . 1 8 8 PRO CD C 13 50.975 0.10 . 1 . . . . A 8 PRO CD . 36213 1 74 . 1 . 1 8 8 PRO CG C 13 27.408 0.10 . 1 . . . . A 8 PRO CG . 36213 1 75 . 1 . 1 8 8 PRO HA H 1 3.921 0.01 . 1 . . . . A 8 PRO HA . 36213 1 76 . 1 . 1 8 8 PRO HB2 H 1 2.706 0.01 . 1 . . . . A 8 PRO HB2 . 36213 1 77 . 1 . 1 8 8 PRO HB3 H 1 2.012 0.01 . 1 . . . . A 8 PRO HB3 . 36213 1 78 . 1 . 1 8 8 PRO HD2 H 1 3.858 0.01 . 1 . . . . A 8 PRO HD2 . 36213 1 79 . 1 . 1 8 8 PRO HD3 H 1 3.858 0.01 . 1 . . . . A 8 PRO HD3 . 36213 1 80 . 1 . 1 8 8 PRO HG2 H 1 2.010 0.01 . 1 . . . . A 8 PRO HG2 . 36213 1 81 . 1 . 1 8 8 PRO HG3 H 1 2.010 0.01 . 1 . . . . A 8 PRO HG3 . 36213 1 82 . 1 . 1 9 9 GLU CA C 13 57.874 0.10 . 1 . . . . A 9 GLU CA . 36213 1 83 . 1 . 1 9 9 GLU CB C 13 27.781 0.10 . 1 . . . . A 9 GLU CB . 36213 1 84 . 1 . 1 9 9 GLU CG C 13 33.363 0.10 . 1 . . . . A 9 GLU CG . 36213 1 85 . 1 . 1 9 9 GLU H H 1 8.192 0.01 . 1 . . . . A 9 GLU H . 36213 1 86 . 1 . 1 9 9 GLU HA H 1 3.999 0.01 . 1 . . . . A 9 GLU HA . 36213 1 87 . 1 . 1 9 9 GLU HB2 H 1 2.046 0.01 . 2 . . . . A 9 GLU HB2 . 36213 1 88 . 1 . 1 9 9 GLU HB3 H 1 1.970 0.01 . 2 . . . . A 9 GLU HB3 . 36213 1 89 . 1 . 1 9 9 GLU N N 15 113.030 0.10 . 1 . . . . A 9 GLU N . 36213 1 90 . 1 . 1 9 9 GLU HG2 H 1 2.494 0.01 . 1 . . . . A 9 GLU HG2 . 36213 1 91 . 1 . 1 9 9 GLU HG3 H 1 2.494 0.01 . 1 . . . . A 9 GLU HG3 . 36213 1 92 . 1 . 1 10 10 LEU CA C 13 54.423 0.10 . 1 . . . . A 10 LEU CA . 36213 1 93 . 1 . 1 10 10 LEU CB C 13 41.285 0.10 . 1 . . . . A 10 LEU CB . 36213 1 94 . 1 . 1 10 10 LEU CD1 C 13 25.710 0.10 . 2 . . . . A 10 LEU CD1 . 36213 1 95 . 1 . 1 10 10 LEU CD2 C 13 22.312 0.10 . 2 . . . . A 10 LEU CD2 . 36213 1 96 . 1 . 1 10 10 LEU CG C 13 27.628 0.10 . 1 . . . . A 10 LEU CG . 36213 1 97 . 1 . 1 10 10 LEU H H 1 7.973 0.01 . 1 . . . . A 10 LEU H . 36213 1 98 . 1 . 1 10 10 LEU HA H 1 4.343 0.01 . 1 . . . . A 10 LEU HA . 36213 1 99 . 1 . 1 10 10 LEU HB2 H 1 2.161 0.01 . 2 . . . . A 10 LEU HB2 . 36213 1 100 . 1 . 1 10 10 LEU HB3 H 1 1.819 0.01 . 2 . . . . A 10 LEU HB3 . 36213 1 101 . 1 . 1 10 10 LEU HG H 1 1.706 0.01 . 1 . . . . A 10 LEU HG . 36213 1 102 . 1 . 1 10 10 LEU N N 15 114.547 0.10 . 1 . . . . A 10 LEU N . 36213 1 103 . 1 . 1 10 10 LEU HD11 H 1 1.001 0.01 . 2 . . . . A 10 LEU HD11 . 36213 1 104 . 1 . 1 10 10 LEU HD12 H 1 1.001 0.01 . 2 . . . . A 10 LEU HD12 . 36213 1 105 . 1 . 1 10 10 LEU HD13 H 1 1.001 0.01 . 2 . . . . A 10 LEU HD13 . 36213 1 106 . 1 . 1 10 10 LEU HD21 H 1 0.831 0.01 . 2 . . . . A 10 LEU HD21 . 36213 1 107 . 1 . 1 10 10 LEU HD22 H 1 0.831 0.01 . 2 . . . . A 10 LEU HD22 . 36213 1 108 . 1 . 1 10 10 LEU HD23 H 1 0.831 0.01 . 2 . . . . A 10 LEU HD23 . 36213 1 109 . 1 . 1 11 11 CYS CA C 13 51.920 0.10 . 1 . . . . A 11 CYS CA . 36213 1 110 . 1 . 1 11 11 CYS CB C 13 44.009 0.10 . 1 . . . . A 11 CYS CB . 36213 1 111 . 1 . 1 11 11 CYS H H 1 7.547 0.01 . 1 . . . . A 11 CYS H . 36213 1 112 . 1 . 1 11 11 CYS HA H 1 4.627 0.01 . 1 . . . . A 11 CYS HA . 36213 1 113 . 1 . 1 11 11 CYS HB2 H 1 3.186 0.01 . 2 . . . . A 11 CYS HB2 . 36213 1 114 . 1 . 1 11 11 CYS HB3 H 1 3.144 0.01 . 2 . . . . A 11 CYS HB3 . 36213 1 115 . 1 . 1 11 11 CYS N N 15 114.458 0.10 . 1 . . . . A 11 CYS N . 36213 1 116 . 1 . 1 12 12 PRO CA C 13 64.404 0.10 . 1 . . . . A 12 PRO CA . 36213 1 117 . 1 . 1 12 12 PRO CB C 13 31.719 0.10 . 1 . . . . A 12 PRO CB . 36213 1 118 . 1 . 1 12 12 PRO CD C 13 50.317 0.10 . 1 . . . . A 12 PRO CD . 36213 1 119 . 1 . 1 12 12 PRO CG C 13 27.015 0.10 . 1 . . . . A 12 PRO CG . 36213 1 120 . 1 . 1 12 12 PRO HA H 1 4.158 0.01 . 1 . . . . A 12 PRO HA . 36213 1 121 . 1 . 1 12 12 PRO HB2 H 1 1.528 0.01 . 1 . . . . A 12 PRO HB2 . 36213 1 122 . 1 . 1 12 12 PRO HB3 H 1 2.024 0.01 . 1 . . . . A 12 PRO HB3 . 36213 1 123 . 1 . 1 12 12 PRO HD2 H 1 3.323 0.01 . 1 . . . . A 12 PRO HD2 . 36213 1 124 . 1 . 1 12 12 PRO HD3 H 1 3.251 0.01 . 1 . . . . A 12 PRO HD3 . 36213 1 125 . 1 . 1 12 12 PRO HG2 H 1 1.316 0.01 . 1 . . . . A 12 PRO HG2 . 36213 1 126 . 1 . 1 12 12 PRO HG3 H 1 1.748 0.01 . 1 . . . . A 12 PRO HG3 . 36213 1 127 . 1 . 1 13 13 TRP CA C 13 57.025 0.10 . 1 . . . . A 13 TRP CA . 36213 1 128 . 1 . 1 13 13 TRP CB C 13 28.426 0.10 . 1 . . . . A 13 TRP CB . 36213 1 129 . 1 . 1 13 13 TRP CD1 C 13 126.676 0.10 . 1 . . . . A 13 TRP CD1 . 36213 1 130 . 1 . 1 13 13 TRP CE3 C 13 120.378 0.10 . 1 . . . . A 13 TRP CE3 . 36213 1 131 . 1 . 1 13 13 TRP CH2 C 13 124.797 0.10 . 1 . . . . A 13 TRP CH2 . 36213 1 132 . 1 . 1 13 13 TRP CZ2 C 13 114.553 0.10 . 1 . . . . A 13 TRP CZ2 . 36213 1 133 . 1 . 1 13 13 TRP CZ3 C 13 122.260 0.10 . 1 . . . . A 13 TRP CZ3 . 36213 1 134 . 1 . 1 13 13 TRP H H 1 6.835 0.01 . 1 . . . . A 13 TRP H . 36213 1 135 . 1 . 1 13 13 TRP HA H 1 4.617 0.01 . 1 . . . . A 13 TRP HA . 36213 1 136 . 1 . 1 13 13 TRP HB2 H 1 3.195 0.01 . 2 . . . . A 13 TRP HB2 . 36213 1 137 . 1 . 1 13 13 TRP HB3 H 1 3.399 0.01 . 2 . . . . A 13 TRP HB3 . 36213 1 138 . 1 . 1 13 13 TRP HD1 H 1 7.094 0.01 . 1 . . . . A 13 TRP HD1 . 36213 1 139 . 1 . 1 13 13 TRP HE1 H 1 9.945 0.01 . 1 . . . . A 13 TRP HE1 . 36213 1 140 . 1 . 1 13 13 TRP HE3 H 1 7.577 0.01 . 1 . . . . A 13 TRP HE3 . 36213 1 141 . 1 . 1 13 13 TRP HH2 H 1 7.195 0.01 . 1 . . . . A 13 TRP HH2 . 36213 1 142 . 1 . 1 13 13 TRP HZ2 H 1 7.426 0.01 . 1 . . . . A 13 TRP HZ2 . 36213 1 143 . 1 . 1 13 13 TRP HZ3 H 1 7.130 0.01 . 1 . . . . A 13 TRP HZ3 . 36213 1 144 . 1 . 1 13 13 TRP N N 15 114.826 0.10 . 1 . . . . A 13 TRP N . 36213 1 145 . 1 . 1 13 13 TRP NE1 N 15 128.911 0.10 . 1 . . . . A 13 TRP NE1 . 36213 1 146 . 1 . 1 14 14 ILE CA C 13 60.522 0.10 . 1 . . . . A 14 ILE CA . 36213 1 147 . 1 . 1 14 14 ILE CB C 13 38.152 0.10 . 1 . . . . A 14 ILE CB . 36213 1 148 . 1 . 1 14 14 ILE CD1 C 13 13.358 0.10 . 1 . . . . A 14 ILE CD1 . 36213 1 149 . 1 . 1 14 14 ILE CG1 C 13 27.272 0.10 . 1 . . . . A 14 ILE CG1 . 36213 1 150 . 1 . 1 14 14 ILE CG2 C 13 18.100 0.10 . 1 . . . . A 14 ILE CG2 . 36213 1 151 . 1 . 1 14 14 ILE H H 1 7.121 0.01 . 1 . . . . A 14 ILE H . 36213 1 152 . 1 . 1 14 14 ILE HA H 1 4.238 0.01 . 1 . . . . A 14 ILE HA . 36213 1 153 . 1 . 1 14 14 ILE HB H 1 1.766 0.01 . 1 . . . . A 14 ILE HB . 36213 1 154 . 1 . 1 14 14 ILE HG12 H 1 1.261 0.01 . 2 . . . . A 14 ILE HG12 . 36213 1 155 . 1 . 1 14 14 ILE HG13 H 1 0.913 0.01 . 2 . . . . A 14 ILE HG13 . 36213 1 156 . 1 . 1 14 14 ILE N N 15 120.145 0.10 . 1 . . . . A 14 ILE N . 36213 1 157 . 1 . 1 14 14 ILE HD11 H 1 0.910 0.01 . 1 . . . . A 14 ILE HD11 . 36213 1 158 . 1 . 1 14 14 ILE HD12 H 1 0.910 0.01 . 1 . . . . A 14 ILE HD12 . 36213 1 159 . 1 . 1 14 14 ILE HD13 H 1 0.910 0.01 . 1 . . . . A 14 ILE HD13 . 36213 1 160 . 1 . 1 14 14 ILE HG21 H 1 0.997 0.01 . 1 . . . . A 14 ILE HG21 . 36213 1 161 . 1 . 1 14 14 ILE HG22 H 1 0.997 0.01 . 1 . . . . A 14 ILE HG22 . 36213 1 162 . 1 . 1 14 14 ILE HG23 H 1 0.997 0.01 . 1 . . . . A 14 ILE HG23 . 36213 1 163 . 1 . 1 15 15 ARG CA C 13 59.925 0.10 . 1 . . . . A 15 ARG CA . 36213 1 164 . 1 . 1 15 15 ARG CB C 13 29.738 0.10 . 1 . . . . A 15 ARG CB . 36213 1 165 . 1 . 1 15 15 ARG CD C 13 43.278 0.10 . 1 . . . . A 15 ARG CD . 36213 1 166 . 1 . 1 15 15 ARG CG C 13 27.322 0.10 . 1 . . . . A 15 ARG CG . 36213 1 167 . 1 . 1 15 15 ARG H H 1 8.924 0.01 . 1 . . . . A 15 ARG H . 36213 1 168 . 1 . 1 15 15 ARG HA H 1 3.922 0.01 . 1 . . . . A 15 ARG HA . 36213 1 169 . 1 . 1 15 15 ARG HE H 1 7.365 0.01 . 1 . . . . A 15 ARG HE . 36213 1 170 . 1 . 1 15 15 ARG HG2 H 1 1.652 0.01 . 2 . . . . A 15 ARG HG2 . 36213 1 171 . 1 . 1 15 15 ARG HG3 H 1 1.708 0.01 . 2 . . . . A 15 ARG HG3 . 36213 1 172 . 1 . 1 15 15 ARG N N 15 130.634 0.10 . 1 . . . . A 15 ARG N . 36213 1 173 . 1 . 1 15 15 ARG NE N 15 84.598 0.10 . 1 . . . . A 15 ARG NE . 36213 1 174 . 1 . 1 15 15 ARG HB2 H 1 1.879 0.01 . 1 . . . . A 15 ARG HB2 . 36213 1 175 . 1 . 1 15 15 ARG HB3 H 1 1.879 0.01 . 1 . . . . A 15 ARG HB3 . 36213 1 176 . 1 . 1 15 15 ARG HD2 H 1 3.195 0.01 . 1 . . . . A 15 ARG HD2 . 36213 1 177 . 1 . 1 15 15 ARG HD3 H 1 3.195 0.01 . 1 . . . . A 15 ARG HD3 . 36213 1 178 . 1 . 1 15 15 ARG HH11 H 1 6.925 0.01 . 2 . . . . A 15 ARG HH11 . 36213 1 179 . 1 . 1 15 15 ARG HH12 H 1 6.925 0.01 . 2 . . . . A 15 ARG HH12 . 36213 1 180 . 1 . 1 15 15 ARG HH21 H 1 6.496 0.01 . 2 . . . . A 15 ARG HH21 . 36213 1 181 . 1 . 1 15 15 ARG HH22 H 1 6.496 0.01 . 2 . . . . A 15 ARG HH22 . 36213 1 182 . 1 . 1 16 16 SER CA C 13 59.870 0.10 . 1 . . . . A 16 SER CA . 36213 1 183 . 1 . 1 16 16 SER CB C 13 62.880 0.10 . 1 . . . . A 16 SER CB . 36213 1 184 . 1 . 1 16 16 SER H H 1 8.047 0.01 . 1 . . . . A 16 SER H . 36213 1 185 . 1 . 1 16 16 SER HA H 1 4.190 0.01 . 1 . . . . A 16 SER HA . 36213 1 186 . 1 . 1 16 16 SER N N 15 110.941 0.10 . 1 . . . . A 16 SER N . 36213 1 187 . 1 . 1 16 16 SER HB2 H 1 3.794 0.01 . 1 . . . . A 16 SER HB2 . 36213 1 188 . 1 . 1 16 16 SER HB3 H 1 3.794 0.01 . 1 . . . . A 16 SER HB3 . 36213 1 189 . 1 . 1 17 17 CYS CA C 13 55.002 0.10 . 1 . . . . A 17 CYS CA . 36213 1 190 . 1 . 1 17 17 CYS CB C 13 42.181 0.10 . 1 . . . . A 17 CYS CB . 36213 1 191 . 1 . 1 17 17 CYS H H 1 7.957 0.01 . 1 . . . . A 17 CYS H . 36213 1 192 . 1 . 1 17 17 CYS HA H 1 4.552 0.01 . 1 . . . . A 17 CYS HA . 36213 1 193 . 1 . 1 17 17 CYS HB2 H 1 3.387 0.01 . 2 . . . . A 17 CYS HB2 . 36213 1 194 . 1 . 1 17 17 CYS HB3 H 1 3.526 0.01 . 2 . . . . A 17 CYS HB3 . 36213 1 195 . 1 . 1 17 17 CYS N N 15 118.425 0.10 . 1 . . . . A 17 CYS N . 36213 1 196 . 1 . 1 18 18 NH2 HN1 H 1 7.072 0.01 . 2 . . . . A 18 NH2 HN1 . 36213 1 197 . 1 . 1 18 18 NH2 HN2 H 1 6.896 0.01 . 2 . . . . A 18 NH2 HN2 . 36213 1 198 . 1 . 1 18 18 NH2 N N 15 104.528 0.10 . 1 . . . . A 18 NH2 N . 36213 1 stop_ save_