################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 36460 _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-13C HSQC' 1 $sample_1 anisotropic 36460 1 2 '2D 1H-15N HSQC' 1 $sample_1 anisotropic 36460 1 3 '2D 1H-1H NOESY' 1 $sample_1 anisotropic 36460 1 4 '2D 1H-1H TOCSY' 1 $sample_1 anisotropic 36460 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 CA C 13 40.517 0.01 . 1 . . . . A 1 GLY CA . 36460 1 2 . 1 . 1 1 1 GLY HA2 H 1 3.765 0.00 . . . . . . A 1 GLY HA2 . 36460 1 3 . 1 . 1 1 1 GLY HA3 H 1 3.733 0.00 . . . . . . A 1 GLY HA3 . 36460 1 4 . 1 . 1 2 2 CYS CA C 13 51.314 0.00 . 1 . . . . A 2 CYS CA . 36460 1 5 . 1 . 1 2 2 CYS CB C 13 39.001 0.01 . 1 . . . . A 2 CYS CB . 36460 1 6 . 1 . 1 2 2 CYS H H 1 8.537 0.03 . 1 . . . . A 2 CYS H . 36460 1 7 . 1 . 1 2 2 CYS HA H 1 4.946 0.00 . 1 . . . . A 2 CYS HA . 36460 1 8 . 1 . 1 2 2 CYS HB2 H 1 2.999 0.00 . . . . . . A 2 CYS HB2 . 36460 1 9 . 1 . 1 2 2 CYS HB3 H 1 2.817 0.00 . . . . . . A 2 CYS HB3 . 36460 1 10 . 1 . 1 2 2 CYS N N 15 118.893 0.00 . 1 . . . . A 2 CYS N . 36460 1 11 . 1 . 1 3 3 PRO CA C 13 58.771 0.00 . 1 . . . . A 3 PRO CA . 36460 1 12 . 1 . 1 3 3 PRO CB C 13 27.963 0.00 . 1 . . . . A 3 PRO CB . 36460 1 13 . 1 . 1 3 3 PRO CD C 13 47.807 0.00 . 1 . . . . A 3 PRO CD . 36460 1 14 . 1 . 1 3 3 PRO HA H 1 4.655 0.02 . 1 . . . . A 3 PRO HA . 36460 1 15 . 1 . 1 3 3 PRO HB2 H 1 2.265 0.00 . . . . . . A 3 PRO HB2 . 36460 1 16 . 1 . 1 3 3 PRO HB3 H 1 1.877 0.00 . . . . . . A 3 PRO HB3 . 36460 1 17 . 1 . 1 3 3 PRO HD2 H 1 3.813 0.00 . . . . . . A 3 PRO HD2 . 36460 1 18 . 1 . 1 3 3 PRO HD3 H 1 3.614 0.00 . . . . . . A 3 PRO HD3 . 36460 1 19 . 1 . 1 3 3 PRO HG2 H 1 1.956 0.00 . . . . . . A 3 PRO HG2 . 36460 1 20 . 1 . 1 4 4 PRO CA C 13 60.151 0.00 . 1 . . . . A 4 PRO CA . 36460 1 21 . 1 . 1 4 4 PRO CB C 13 29.063 0.00 . 1 . . . . A 4 PRO CB . 36460 1 22 . 1 . 1 4 4 PRO CD C 13 47.530 0.00 . 1 . . . . A 4 PRO CD . 36460 1 23 . 1 . 1 4 4 PRO HA H 1 4.322 0.00 . 1 . . . . A 4 PRO HA . 36460 1 24 . 1 . 1 4 4 PRO HB2 H 1 2.226 0.00 . . . . . . A 4 PRO HB2 . 36460 1 25 . 1 . 1 4 4 PRO HB3 H 1 1.812 0.00 . . . . . . A 4 PRO HB3 . 36460 1 26 . 1 . 1 4 4 PRO HD2 H 1 3.698 0.00 . . . . . . A 4 PRO HD2 . 36460 1 27 . 1 . 1 4 4 PRO HD3 H 1 3.525 0.00 . . . . . . A 4 PRO HD3 . 36460 1 28 . 1 . 1 4 4 PRO HG2 H 1 1.977 0.00 . . . . . . A 4 PRO HG2 . 36460 1 29 . 1 . 1 4 4 PRO HG3 H 1 1.947 0.00 . . . . . . A 4 PRO HG3 . 36460 1 30 . 1 . 1 5 5 CYS CA C 13 53.611 0.00 . 1 . . . . A 5 CYS CA . 36460 1 31 . 1 . 1 5 5 CYS CB C 13 38.007 0.00 . 1 . . . . A 5 CYS CB . 36460 1 32 . 1 . 1 5 5 CYS H H 1 8.340 0.00 . 1 . . . . A 5 CYS H . 36460 1 33 . 1 . 1 5 5 CYS HA H 1 4.442 0.00 . 1 . . . . A 5 CYS HA . 36460 1 34 . 1 . 1 5 5 CYS HB2 H 1 3.002 0.00 . . . . . . A 5 CYS HB2 . 36460 1 35 . 1 . 1 5 5 CYS HB3 H 1 2.890 0.00 . . . . . . A 5 CYS HB3 . 36460 1 36 . 1 . 1 5 5 CYS N N 15 119.199 0.00 . 1 . . . . A 5 CYS N . 36460 1 37 . 1 . 1 6 6 ALA CA C 13 49.944 0.00 . 1 . . . . A 6 ALA CA . 36460 1 38 . 1 . 1 6 6 ALA CB C 13 16.661 0.00 . 1 . . . . A 6 ALA CB . 36460 1 39 . 1 . 1 6 6 ALA H H 1 8.215 0.00 . 1 . . . . A 6 ALA H . 36460 1 40 . 1 . 1 6 6 ALA HA H 1 4.272 0.00 . 1 . . . . A 6 ALA HA . 36460 1 41 . 1 . 1 6 6 ALA HB1 H 1 1.339 0.00 . 1 . . . . A 6 ALA HB1 . 36460 1 42 . 1 . 1 6 6 ALA HB2 H 1 1.339 0.00 . 1 . . . . A 6 ALA HB2 . 36460 1 43 . 1 . 1 6 6 ALA HB3 H 1 1.339 0.00 . 1 . . . . A 6 ALA HB3 . 36460 1 44 . 1 . 1 6 6 ALA N N 15 124.283 0.00 . 1 . . . . A 6 ALA N . 36460 1 45 . 1 . 1 7 7 SER CA C 13 56.026 0.00 . 1 . . . . A 7 SER CA . 36460 1 46 . 1 . 1 7 7 SER CB C 13 61.276 0.00 . 1 . . . . A 7 SER CB . 36460 1 47 . 1 . 1 7 7 SER H H 1 7.822 0.00 . 1 . . . . A 7 SER H . 36460 1 48 . 1 . 1 7 7 SER HA H 1 4.280 0.00 . 1 . . . . A 7 SER HA . 36460 1 49 . 1 . 1 7 7 SER HB2 H 1 3.756 0.00 . . . . . . A 7 SER HB2 . 36460 1 50 . 1 . 1 7 7 SER HB3 H 1 3.729 0.00 . . . . . . A 7 SER HB3 . 36460 1 51 . 1 . 1 7 7 SER N N 15 113.277 0.00 . 1 . . . . A 7 SER N . 36460 1 52 . 1 . 1 8 8 GLY CA C 13 42.535 0.02 . 1 . . . . A 8 GLY CA . 36460 1 53 . 1 . 1 8 8 GLY H H 1 8.009 0.00 . 1 . . . . A 8 GLY H . 36460 1 54 . 1 . 1 8 8 GLY HA2 H 1 3.885 0.00 . . . . . . A 8 GLY HA2 . 36460 1 55 . 1 . 1 8 8 GLY HA3 H 1 3.808 0.00 . . . . . . A 8 GLY HA3 . 36460 1 56 . 1 . 1 8 8 GLY N N 15 108.662 0.00 . 1 . . . . A 8 GLY N . 36460 1 57 . 1 . 1 9 9 CYS CA C 13 53.292 0.00 . 1 . . . . A 9 CYS CA . 36460 1 58 . 1 . 1 9 9 CYS CB C 13 38.839 0.03 . 1 . . . . A 9 CYS CB . 36460 1 59 . 1 . 1 9 9 CYS H H 1 7.878 0.00 . 1 . . . . A 9 CYS H . 36460 1 60 . 1 . 1 9 9 CYS HA H 1 4.523 0.00 . 1 . . . . A 9 CYS HA . 36460 1 61 . 1 . 1 9 9 CYS HB2 H 1 2.983 0.00 . . . . . . A 9 CYS HB2 . 36460 1 62 . 1 . 1 9 9 CYS HB3 H 1 2.914 0.00 . . . . . . A 9 CYS HB3 . 36460 1 63 . 1 . 1 9 9 CYS N N 15 118.169 0.00 . 1 . . . . A 9 CYS N . 36460 1 64 . 1 . 1 10 10 SER CA C 13 53.216 0.00 . 1 . . . . A 10 SER CA . 36460 1 65 . 1 . 1 10 10 SER CB C 13 61.264 0.01 . 1 . . . . A 10 SER CB . 36460 1 66 . 1 . 1 10 10 SER H H 1 8.124 0.00 . 1 . . . . A 10 SER H . 36460 1 67 . 1 . 1 10 10 SER HA H 1 4.834 0.00 . 1 . . . . A 10 SER HA . 36460 1 68 . 1 . 1 10 10 SER HB2 H 1 3.926 0.00 . . . . . . A 10 SER HB2 . 36460 1 69 . 1 . 1 10 10 SER HB3 H 1 3.786 0.00 . . . . . . A 10 SER HB3 . 36460 1 70 . 1 . 1 10 10 SER N N 15 119.435 0.00 . 1 . . . . A 10 SER N . 36460 1 71 . 1 . 1 11 11 PRO CA C 13 62.133 0.00 . 1 . . . . A 11 PRO CA . 36460 1 72 . 1 . 1 11 11 PRO CB C 13 29.185 0.00 . 1 . . . . A 11 PRO CB . 36460 1 73 . 1 . 1 11 11 PRO CD C 13 48.101 0.00 . 1 . . . . A 11 PRO CD . 36460 1 74 . 1 . 1 11 11 PRO HA H 1 4.275 0.00 . 1 . . . . A 11 PRO HA . 36460 1 75 . 1 . 1 11 11 PRO HB2 H 1 2.278 0.00 . . . . . . A 11 PRO HB2 . 36460 1 76 . 1 . 1 11 11 PRO HB3 H 1 1.868 0.00 . . . . . . A 11 PRO HB3 . 36460 1 77 . 1 . 1 11 11 PRO HD2 H 1 3.789 0.00 . . . . . . A 11 PRO HD2 . 36460 1 78 . 1 . 1 11 11 PRO HG2 H 1 2.020 0.00 . . . . . . A 11 PRO HG2 . 36460 1 79 . 1 . 1 12 12 GLU CA C 13 54.909 0.00 . 1 . . . . A 12 GLU CA . 36460 1 80 . 1 . 1 12 12 GLU CB C 13 25.625 0.00 . 1 . . . . A 12 GLU CB . 36460 1 81 . 1 . 1 12 12 GLU CG C 13 30.728 0.00 . 1 . . . . A 12 GLU CG . 36460 1 82 . 1 . 1 12 12 GLU H H 1 7.993 0.00 . 1 . . . . A 12 GLU H . 36460 1 83 . 1 . 1 12 12 GLU HA H 1 4.177 0.00 . 1 . . . . A 12 GLU HA . 36460 1 84 . 1 . 1 12 12 GLU HB2 H 1 2.080 0.00 . . . . . . A 12 GLU HB2 . 36460 1 85 . 1 . 1 12 12 GLU HB3 H 1 1.952 0.00 . . . . . . A 12 GLU HB3 . 36460 1 86 . 1 . 1 12 12 GLU HG2 H 1 2.427 0.00 . . . . . . A 12 GLU HG2 . 36460 1 87 . 1 . 1 12 12 GLU N N 15 114.098 0.00 . 1 . . . . A 12 GLU N . 36460 1 88 . 1 . 1 13 13 THR CA C 13 58.582 0.00 . 1 . . . . A 13 THR CA . 36460 1 89 . 1 . 1 13 13 THR CB C 13 66.751 0.00 . 1 . . . . A 13 THR CB . 36460 1 90 . 1 . 1 13 13 THR CG2 C 13 19.011 0.00 . 1 . . . . A 13 THR CG2 . 36460 1 91 . 1 . 1 13 13 THR H H 1 7.527 0.00 . 1 . . . . A 13 THR H . 36460 1 92 . 1 . 1 13 13 THR HA H 1 4.391 0.00 . 1 . . . . A 13 THR HA . 36460 1 93 . 1 . 1 13 13 THR HB H 1 4.422 0.00 . 1 . . . . A 13 THR HB . 36460 1 94 . 1 . 1 13 13 THR HG21 H 1 1.109 0.00 . 1 . . . . A 13 THR HG21 . 36460 1 95 . 1 . 1 13 13 THR HG22 H 1 1.109 0.00 . 1 . . . . A 13 THR HG22 . 36460 1 96 . 1 . 1 13 13 THR HG23 H 1 1.109 0.00 . 1 . . . . A 13 THR HG23 . 36460 1 97 . 1 . 1 13 13 THR N N 15 108.258 0.00 . 1 . . . . A 13 THR N . 36460 1 98 . 1 . 1 14 14 GLY CA C 13 43.407 0.00 . 1 . . . . A 14 GLY CA . 36460 1 99 . 1 . 1 14 14 GLY H H 1 7.784 0.00 . 1 . . . . A 14 GLY H . 36460 1 100 . 1 . 1 14 14 GLY HA2 H 1 3.978 0.00 . . . . . . A 14 GLY HA2 . 36460 1 101 . 1 . 1 14 14 GLY HA3 H 1 3.677 0.00 . . . . . . A 14 GLY HA3 . 36460 1 102 . 1 . 1 14 14 GLY N N 15 108.715 0.00 . 1 . . . . A 14 GLY N . 36460 1 103 . 1 . 1 15 15 GLU CA C 13 53.587 0.00 . 1 . . . . A 15 GLU CA . 36460 1 104 . 1 . 1 15 15 GLU CB C 13 25.721 0.01 . 1 . . . . A 15 GLU CB . 36460 1 105 . 1 . 1 15 15 GLU CG C 13 29.931 0.00 . 1 . . . . A 15 GLU CG . 36460 1 106 . 1 . 1 15 15 GLU H H 1 7.814 0.00 . 1 . . . . A 15 GLU H . 36460 1 107 . 1 . 1 15 15 GLU HA H 1 4.017 0.00 . 1 . . . . A 15 GLU HA . 36460 1 108 . 1 . 1 15 15 GLU HB2 H 1 1.767 0.00 . . . . . . A 15 GLU HB2 . 36460 1 109 . 1 . 1 15 15 GLU HB3 H 1 1.702 0.00 . . . . . . A 15 GLU HB3 . 36460 1 110 . 1 . 1 15 15 GLU HG2 H 1 2.174 0.00 . . . . . . A 15 GLU HG2 . 36460 1 111 . 1 . 1 15 15 GLU HG3 H 1 2.051 0.00 . . . . . . A 15 GLU HG3 . 36460 1 112 . 1 . 1 15 15 GLU N N 15 118.689 0.00 . 1 . . . . A 15 GLU N . 36460 1 113 . 1 . 1 16 16 PHE CA C 13 55.037 0.00 . 1 . . . . A 16 PHE CA . 36460 1 114 . 1 . 1 16 16 PHE CB C 13 36.011 0.01 . 1 . . . . A 16 PHE CB . 36460 1 115 . 1 . 1 16 16 PHE H H 1 7.881 0.00 . 1 . . . . A 16 PHE H . 36460 1 116 . 1 . 1 16 16 PHE HA H 1 4.431 0.00 . 1 . . . . A 16 PHE HA . 36460 1 117 . 1 . 1 16 16 PHE HB2 H 1 3.027 0.00 . . . . . . A 16 PHE HB2 . 36460 1 118 . 1 . 1 16 16 PHE HB3 H 1 2.877 0.00 . . . . . . A 16 PHE HB3 . 36460 1 119 . 1 . 1 16 16 PHE HD2 H 1 7.166 0.00 . . . . . . A 16 PHE HD2 . 36460 1 120 . 1 . 1 16 16 PHE HE2 H 1 7.247 0.00 . . . . . . A 16 PHE HE2 . 36460 1 121 . 1 . 1 16 16 PHE N N 15 118.342 0.00 . 1 . . . . A 16 PHE N . 36460 1 122 . 1 . 1 17 17 CYS CA C 13 52.695 0.00 . 1 . . . . A 17 CYS CA . 36460 1 123 . 1 . 1 17 17 CYS CB C 13 39.642 0.01 . 1 . . . . A 17 CYS CB . 36460 1 124 . 1 . 1 17 17 CYS H H 1 7.787 0.00 . 1 . . . . A 17 CYS H . 36460 1 125 . 1 . 1 17 17 CYS HA H 1 4.561 0.00 . 1 . . . . A 17 CYS HA . 36460 1 126 . 1 . 1 17 17 CYS HB2 H 1 3.061 0.00 . . . . . . A 17 CYS HB2 . 36460 1 127 . 1 . 1 17 17 CYS HB3 H 1 2.857 0.00 . . . . . . A 17 CYS HB3 . 36460 1 128 . 1 . 1 17 17 CYS N N 15 118.430 0.00 . 1 . . . . A 17 CYS N . 36460 1 129 . 1 . 1 18 18 TRP CA C 13 54.635 0.00 . 1 . . . . A 18 TRP CA . 36460 1 130 . 1 . 1 18 18 TRP CB C 13 27.024 0.01 . 1 . . . . A 18 TRP CB . 36460 1 131 . 1 . 1 18 18 TRP H H 1 7.715 0.00 . 1 . . . . A 18 TRP H . 36460 1 132 . 1 . 1 18 18 TRP HA H 1 4.483 0.00 . 1 . . . . A 18 TRP HA . 36460 1 133 . 1 . 1 18 18 TRP HB2 H 1 3.158 0.00 . . . . . . A 18 TRP HB2 . 36460 1 134 . 1 . 1 18 18 TRP HB3 H 1 3.090 0.00 . . . . . . A 18 TRP HB3 . 36460 1 135 . 1 . 1 18 18 TRP HD1 H 1 7.111 0.00 . 1 . . . . A 18 TRP HD1 . 36460 1 136 . 1 . 1 18 18 TRP HE1 H 1 9.896 0.00 . 1 . . . . A 18 TRP HE1 . 36460 1 137 . 1 . 1 18 18 TRP HE3 H 1 7.495 0.00 . 1 . . . . A 18 TRP HE3 . 36460 1 138 . 1 . 1 18 18 TRP HH2 H 1 7.101 0.00 . 1 . . . . A 18 TRP HH2 . 36460 1 139 . 1 . 1 18 18 TRP HZ2 H 1 7.355 0.00 . 1 . . . . A 18 TRP HZ2 . 36460 1 140 . 1 . 1 18 18 TRP HZ3 H 1 7.026 0.00 . 1 . . . . A 18 TRP HZ3 . 36460 1 141 . 1 . 1 18 18 TRP N N 15 121.751 0.00 . 1 . . . . A 18 TRP N . 36460 1 142 . 1 . 1 18 18 TRP NE1 N 15 128.728 0.00 . 1 . . . . A 18 TRP NE1 . 36460 1 143 . 1 . 1 19 19 ARG CA C 13 52.614 0.00 . 1 . . . . A 19 ARG CA . 36460 1 144 . 1 . 1 19 19 ARG CB C 13 29.682 0.03 . 1 . . . . A 19 ARG CB . 36460 1 145 . 1 . 1 19 19 ARG CD C 13 41.045 0.00 . 1 . . . . A 19 ARG CD . 36460 1 146 . 1 . 1 19 19 ARG CG C 13 24.389 0.00 . 1 . . . . A 19 ARG CG . 36460 1 147 . 1 . 1 19 19 ARG H H 1 7.763 0.00 . 1 . . . . A 19 ARG H . 36460 1 148 . 1 . 1 19 19 ARG HA H 1 4.284 0.00 . 1 . . . . A 19 ARG HA . 36460 1 149 . 1 . 1 19 19 ARG HB2 H 1 1.649 0.00 . . . . . . A 19 ARG HB2 . 36460 1 150 . 1 . 1 19 19 ARG HB3 H 1 1.518 0.00 . . . . . . A 19 ARG HB3 . 36460 1 151 . 1 . 1 19 19 ARG HD2 H 1 3.093 0.00 . . . . . . A 19 ARG HD2 . 36460 1 152 . 1 . 1 19 19 ARG HD3 H 1 3.051 0.00 . . . . . . A 19 ARG HD3 . 36460 1 153 . 1 . 1 19 19 ARG HE H 1 7.086 0.00 . 1 . . . . A 19 ARG HE . 36460 1 154 . 1 . 1 19 19 ARG HG2 H 1 1.444 0.00 . . . . . . A 19 ARG HG2 . 36460 1 155 . 1 . 1 19 19 ARG N N 15 122.018 0.00 . 1 . . . . A 19 ARG N . 36460 1 156 . 1 . 1 20 20 GLU CA C 13 53.128 0.00 . 1 . . . . A 20 GLU CA . 36460 1 157 . 1 . 1 20 20 GLU CB C 13 26.741 0.00 . 1 . . . . A 20 GLU CB . 36460 1 158 . 1 . 1 20 20 GLU CG C 13 30.801 0.00 . 1 . . . . A 20 GLU CG . 36460 1 159 . 1 . 1 20 20 GLU H H 1 7.932 0.00 . 1 . . . . A 20 GLU H . 36460 1 160 . 1 . 1 20 20 GLU HA H 1 4.168 0.00 . 1 . . . . A 20 GLU HA . 36460 1 161 . 1 . 1 20 20 GLU HB2 H 1 2.063 0.00 . . . . . . A 20 GLU HB2 . 36460 1 162 . 1 . 1 20 20 GLU HB3 H 1 1.918 0.00 . . . . . . A 20 GLU HB3 . 36460 1 163 . 1 . 1 20 20 GLU HG2 H 1 2.408 0.00 . . . . . . A 20 GLU HG2 . 36460 1 164 . 1 . 1 20 20 GLU N N 15 120.487 0.00 . 1 . . . . A 20 GLU N . 36460 1 165 . 1 . 1 21 21 ASP CA C 13 51.962 0.00 . 1 . . . . A 21 ASP CA . 36460 1 166 . 1 . 1 21 21 ASP CB C 13 35.365 0.00 . 1 . . . . A 21 ASP CB . 36460 1 167 . 1 . 1 21 21 ASP H H 1 8.282 0.00 . 1 . . . . A 21 ASP H . 36460 1 168 . 1 . 1 21 21 ASP HA H 1 4.332 0.00 . 1 . . . . A 21 ASP HA . 36460 1 169 . 1 . 1 21 21 ASP HB2 H 1 2.812 0.00 . . . . . . A 21 ASP HB2 . 36460 1 170 . 1 . 1 21 21 ASP N N 15 118.621 0.00 . 1 . . . . A 21 ASP N . 36460 1 171 . 1 . 1 22 22 ASP CA C 13 50.283 0.00 . 1 . . . . A 22 ASP CA . 36460 1 172 . 1 . 1 22 22 ASP CB C 13 34.850 0.00 . 1 . . . . A 22 ASP CB . 36460 1 173 . 1 . 1 22 22 ASP H H 1 8.014 0.00 . 1 . . . . A 22 ASP H . 36460 1 174 . 1 . 1 22 22 ASP HA H 1 4.524 0.00 . 1 . . . . A 22 ASP HA . 36460 1 175 . 1 . 1 22 22 ASP HB2 H 1 2.841 0.00 . . . . . . A 22 ASP HB2 . 36460 1 176 . 1 . 1 22 22 ASP HB3 H 1 2.812 0.00 . . . . . . A 22 ASP HB3 . 36460 1 177 . 1 . 1 22 22 ASP N N 15 114.307 0.00 . 1 . . . . A 22 ASP N . 36460 1 178 . 1 . 1 23 23 CYS CA C 13 50.804 0.00 . 1 . . . . A 23 CYS CA . 36460 1 179 . 1 . 1 23 23 CYS CB C 13 37.549 0.01 . 1 . . . . A 23 CYS CB . 36460 1 180 . 1 . 1 23 23 CYS H H 1 7.612 0.00 . 1 . . . . A 23 CYS H . 36460 1 181 . 1 . 1 23 23 CYS HA H 1 4.935 0.00 . 1 . . . . A 23 CYS HA . 36460 1 182 . 1 . 1 23 23 CYS HB2 H 1 3.089 0.00 . . . . . . A 23 CYS HB2 . 36460 1 183 . 1 . 1 23 23 CYS HB3 H 1 2.804 0.00 . . . . . . A 23 CYS HB3 . 36460 1 184 . 1 . 1 23 23 CYS N N 15 117.240 0.00 . 1 . . . . A 23 CYS N . 36460 1 185 . 1 . 1 24 24 PRO CA C 13 58.822 0.00 . 1 . . . . A 24 PRO CA . 36460 1 186 . 1 . 1 24 24 PRO CB C 13 28.022 0.00 . 1 . . . . A 24 PRO CB . 36460 1 187 . 1 . 1 24 24 PRO CD C 13 47.642 0.00 . 1 . . . . A 24 PRO CD . 36460 1 188 . 1 . 1 24 24 PRO HA H 1 4.557 0.00 . 1 . . . . A 24 PRO HA . 36460 1 189 . 1 . 1 24 24 PRO HB2 H 1 2.267 0.00 . . . . . . A 24 PRO HB2 . 36460 1 190 . 1 . 1 24 24 PRO HB3 H 1 1.802 0.00 . . . . . . A 24 PRO HB3 . 36460 1 191 . 1 . 1 24 24 PRO HD2 H 1 3.814 0.00 . . . . . . A 24 PRO HD2 . 36460 1 192 . 1 . 1 24 24 PRO HD3 H 1 3.586 0.01 . . . . . . A 24 PRO HD3 . 36460 1 193 . 1 . 1 24 24 PRO HG2 H 1 1.975 0.00 . . . . . . A 24 PRO HG2 . 36460 1 194 . 1 . 1 25 25 PRO CA C 13 59.989 0.00 . 1 . . . . A 25 PRO CA . 36460 1 195 . 1 . 1 25 25 PRO CB C 13 29.383 0.00 . 1 . . . . A 25 PRO CB . 36460 1 196 . 1 . 1 25 25 PRO CD C 13 47.611 0.00 . 1 . . . . A 25 PRO CD . 36460 1 197 . 1 . 1 25 25 PRO HA H 1 4.333 0.00 . 1 . . . . A 25 PRO HA . 36460 1 198 . 1 . 1 25 25 PRO HB2 H 1 2.113 0.00 . . . . . . A 25 PRO HB2 . 36460 1 199 . 1 . 1 25 25 PRO HB3 H 1 1.809 0.00 . . . . . . A 25 PRO HB3 . 36460 1 200 . 1 . 1 25 25 PRO HD2 H 1 3.660 0.00 . . . . . . A 25 PRO HD2 . 36460 1 201 . 1 . 1 25 25 PRO HD3 H 1 3.545 0.00 . . . . . . A 25 PRO HD3 . 36460 1 202 . 1 . 1 25 25 PRO HG2 H 1 1.928 0.00 . . . . . . A 25 PRO HG2 . 36460 1 203 . 1 . 1 26 26 CYS CA C 13 51.750 0.00 . 1 . . . . A 26 CYS CA . 36460 1 204 . 1 . 1 26 26 CYS CB C 13 38.462 0.01 . 1 . . . . A 26 CYS CB . 36460 1 205 . 1 . 1 26 26 CYS H H 1 8.249 0.00 . 1 . . . . A 26 CYS H . 36460 1 206 . 1 . 1 26 26 CYS HA H 1 4.596 0.00 . 1 . . . . A 26 CYS HA . 36460 1 207 . 1 . 1 26 26 CYS HB2 H 1 3.088 0.00 . . . . . . A 26 CYS HB2 . 36460 1 208 . 1 . 1 26 26 CYS HB3 H 1 2.786 0.00 . . . . . . A 26 CYS HB3 . 36460 1 209 . 1 . 1 26 26 CYS N N 15 118.494 0.00 . 1 . . . . A 26 CYS N . 36460 1 stop_ save_