################################### # 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 30561 _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 0.02 _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' . . . 30561 1 2 '2D 1H-13C HSQC' . . . 30561 1 3 '3D HNCACB' . . . 30561 1 4 '3D CBCA(CO)NH' . . . 30561 1 5 '3D HNCA' . . . 30561 1 6 '3D HN(CO)CA' . . . 30561 1 7 '3D HNCO' . . . 30561 1 8 '3D HBHA(CO)NH' . . . 30561 1 9 '3D HCCH-TOCSY' . . . 30561 1 10 '2D 1H-13C HSQC aliphatic' . . . 30561 1 11 '2D 1H-1H NOESY' . . . 30561 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 LYS HA H 1 4.172 0.02 . . . . . . A 1 LYS HA . 30561 1 2 . 1 . 1 1 1 LYS HB2 H 1 1.979 0.02 . . . . . . A 1 LYS HB2 . 30561 1 3 . 1 . 1 1 1 LYS HB3 H 1 1.981 0.02 . . . . . . A 1 LYS HB3 . 30561 1 4 . 1 . 1 1 1 LYS HG2 H 1 1.499 0.02 . . . . . . A 1 LYS HG2 . 30561 1 5 . 1 . 1 1 1 LYS HG3 H 1 1.499 0.02 . . . . . . A 1 LYS HG3 . 30561 1 6 . 1 . 1 1 1 LYS HD2 H 1 1.726 0.02 . . . . . . A 1 LYS HD2 . 30561 1 7 . 1 . 1 1 1 LYS HD3 H 1 1.724 0.02 . . . . . . A 1 LYS HD3 . 30561 1 8 . 1 . 1 1 1 LYS HE2 H 1 3.020 0.02 . . . . . . A 1 LYS HE2 . 30561 1 9 . 1 . 1 1 1 LYS HE3 H 1 3.020 0.02 . . . . . . A 1 LYS HE3 . 30561 1 10 . 1 . 1 1 1 LYS C C 13 172.522 . . . . . . . A 1 LYS C . 30561 1 11 . 1 . 1 1 1 LYS CA C 13 56.031 . . . . . . . A 1 LYS CA . 30561 1 12 . 1 . 1 1 1 LYS CB C 13 33.282 . . . . . . . A 1 LYS CB . 30561 1 13 . 1 . 1 1 1 LYS CG C 13 24.223 . . . . . . . A 1 LYS CG . 30561 1 14 . 1 . 1 2 2 THR H H 1 8.443 0.02 . . . . . . A 2 THR H . 30561 1 15 . 1 . 1 2 2 THR HA H 1 5.345 0.02 . . . . . . A 2 THR HA . 30561 1 16 . 1 . 1 2 2 THR HB H 1 4.082 0.02 . . . . . . A 2 THR HB . 30561 1 17 . 1 . 1 2 2 THR HG21 H 1 1.038 0.02 . . . . . . A 2 THR HG21 . 30561 1 18 . 1 . 1 2 2 THR HG22 H 1 1.038 0.02 . . . . . . A 2 THR HG22 . 30561 1 19 . 1 . 1 2 2 THR HG23 H 1 1.038 0.02 . . . . . . A 2 THR HG23 . 30561 1 20 . 1 . 1 2 2 THR C C 13 174.336 . . . . . . . A 2 THR C . 30561 1 21 . 1 . 1 2 2 THR CA C 13 60.478 . . . . . . . A 2 THR CA . 30561 1 22 . 1 . 1 2 2 THR CB C 13 71.313 . . . . . . . A 2 THR CB . 30561 1 23 . 1 . 1 2 2 THR CG2 C 13 21.313 . . . . . . . A 2 THR CG2 . 30561 1 24 . 1 . 1 2 2 THR N N 15 113.440 . . . . . . . A 2 THR N . 30561 1 25 . 1 . 1 3 3 CYS H H 1 9.069 0.02 . . . . . . A 3 CYS H . 30561 1 26 . 1 . 1 3 3 CYS HA H 1 5.093 0.02 . . . . . . A 3 CYS HA . 30561 1 27 . 1 . 1 3 3 CYS HB2 H 1 2.915 0.02 . . . . . . A 3 CYS HB2 . 30561 1 28 . 1 . 1 3 3 CYS HB3 H 1 2.744 0.02 . . . . . . A 3 CYS HB3 . 30561 1 29 . 1 . 1 3 3 CYS C C 13 172.084 . . . . . . . A 3 CYS C . 30561 1 30 . 1 . 1 3 3 CYS CA C 13 58.020 . . . . . . . A 3 CYS CA . 30561 1 31 . 1 . 1 3 3 CYS CB C 13 39.684 . . . . . . . A 3 CYS CB . 30561 1 32 . 1 . 1 3 3 CYS N N 15 118.528 . . . . . . . A 3 CYS N . 30561 1 33 . 1 . 1 4 4 GLU H H 1 8.731 0.02 . . . . . . A 4 GLU H . 30561 1 34 . 1 . 1 4 4 GLU HA H 1 5.535 0.02 . . . . . . A 4 GLU HA . 30561 1 35 . 1 . 1 4 4 GLU HB2 H 1 2.067 0.02 . . . . . . A 4 GLU HB2 . 30561 1 36 . 1 . 1 4 4 GLU HB3 H 1 1.804 0.02 . . . . . . A 4 GLU HB3 . 30561 1 37 . 1 . 1 4 4 GLU HG2 H 1 2.204 0.02 . . . . . . A 4 GLU HG2 . 30561 1 38 . 1 . 1 4 4 GLU HG3 H 1 2.279 0.02 . . . . . . A 4 GLU HG3 . 30561 1 39 . 1 . 1 4 4 GLU C C 13 175.287 . . . . . . . A 4 GLU C . 30561 1 40 . 1 . 1 4 4 GLU CA C 13 54.766 . . . . . . . A 4 GLU CA . 30561 1 41 . 1 . 1 4 4 GLU CB C 13 32.600 . . . . . . . A 4 GLU CB . 30561 1 42 . 1 . 1 4 4 GLU CG C 13 37.694 . . . . . . . A 4 GLU CG . 30561 1 43 . 1 . 1 4 4 GLU N N 15 122.946 . . . . . . . A 4 GLU N . 30561 1 44 . 1 . 1 5 5 ASN H H 1 8.980 0.02 . . . . . . A 5 ASN H . 30561 1 45 . 1 . 1 5 5 ASN HA H 1 5.261 0.02 . . . . . . A 5 ASN HA . 30561 1 46 . 1 . 1 5 5 ASN HB2 H 1 2.747 0.02 . . . . . . A 5 ASN HB2 . 30561 1 47 . 1 . 1 5 5 ASN HB3 H 1 2.470 0.02 . . . . . . A 5 ASN HB3 . 30561 1 48 . 1 . 1 5 5 ASN HD21 H 1 7.720 0.02 . . . . . . A 5 ASN HD21 . 30561 1 49 . 1 . 1 5 5 ASN HD22 H 1 6.930 0.02 . . . . . . A 5 ASN HD22 . 30561 1 50 . 1 . 1 5 5 ASN C C 13 173.118 . . . . . . . A 5 ASN C . 30561 1 51 . 1 . 1 5 5 ASN CA C 13 52.783 . . . . . . . A 5 ASN CA . 30561 1 52 . 1 . 1 5 5 ASN CB C 13 43.592 . . . . . . . A 5 ASN CB . 30561 1 53 . 1 . 1 5 5 ASN N N 15 121.726 . . . . . . . A 5 ASN N . 30561 1 54 . 1 . 1 5 5 ASN ND2 N 15 111.770 . . . . . . . A 5 ASN ND2 . 30561 1 55 . 1 . 1 6 6 LEU H H 1 8.144 0.02 . . . . . . A 6 LEU H . 30561 1 56 . 1 . 1 6 6 LEU HA H 1 3.071 0.02 . . . . . . A 6 LEU HA . 30561 1 57 . 1 . 1 6 6 LEU HB2 H 1 0.939 0.02 . . . . . . A 6 LEU HB2 . 30561 1 58 . 1 . 1 6 6 LEU HB3 H 1 0.750 0.02 . . . . . . A 6 LEU HB3 . 30561 1 59 . 1 . 1 6 6 LEU HG H 1 0.462 0.02 . . . . . . A 6 LEU HG . 30561 1 60 . 1 . 1 6 6 LEU HD11 H 1 0.261 0.02 . . . . . . A 6 LEU HD11 . 30561 1 61 . 1 . 1 6 6 LEU HD12 H 1 0.261 0.02 . . . . . . A 6 LEU HD12 . 30561 1 62 . 1 . 1 6 6 LEU HD13 H 1 0.261 0.02 . . . . . . A 6 LEU HD13 . 30561 1 63 . 1 . 1 6 6 LEU HD21 H 1 0.075 0.02 . . . . . . A 6 LEU HD21 . 30561 1 64 . 1 . 1 6 6 LEU HD22 H 1 0.075 0.02 . . . . . . A 6 LEU HD22 . 30561 1 65 . 1 . 1 6 6 LEU HD23 H 1 0.075 0.02 . . . . . . A 6 LEU HD23 . 30561 1 66 . 1 . 1 6 6 LEU C C 13 177.874 . . . . . . . A 6 LEU C . 30561 1 67 . 1 . 1 6 6 LEU CA C 13 55.751 . . . . . . . A 6 LEU CA . 30561 1 68 . 1 . 1 6 6 LEU CB C 13 42.187 . . . . . . . A 6 LEU CB . 30561 1 69 . 1 . 1 6 6 LEU CG C 13 24.649 . . . . . . . A 6 LEU CG . 30561 1 70 . 1 . 1 6 6 LEU CD1 C 13 26.205 . . . . . . . A 6 LEU CD1 . 30561 1 71 . 1 . 1 6 6 LEU CD2 C 13 24.215 . . . . . . . A 6 LEU CD2 . 30561 1 72 . 1 . 1 6 6 LEU N N 15 125.223 . . . . . . . A 6 LEU N . 30561 1 73 . 1 . 1 7 7 SER H H 1 8.626 0.02 . . . . . . A 7 SER H . 30561 1 74 . 1 . 1 7 7 SER HA H 1 4.476 0.02 . . . . . . A 7 SER HA . 30561 1 75 . 1 . 1 7 7 SER HB2 H 1 4.104 0.02 . . . . . . A 7 SER HB2 . 30561 1 76 . 1 . 1 7 7 SER HB3 H 1 3.518 0.02 . . . . . . A 7 SER HB3 . 30561 1 77 . 1 . 1 7 7 SER C C 13 177.070 . . . . . . . A 7 SER C . 30561 1 78 . 1 . 1 7 7 SER CA C 13 57.993 . . . . . . . A 7 SER CA . 30561 1 79 . 1 . 1 7 7 SER CB C 13 63.284 . . . . . . . A 7 SER CB . 30561 1 80 . 1 . 1 7 7 SER N N 15 117.413 . . . . . . . A 7 SER N . 30561 1 81 . 1 . 1 8 8 GLY H H 1 9.768 0.02 . . . . . . A 8 GLY H . 30561 1 82 . 1 . 1 8 8 GLY HA2 H 1 4.095 0.02 . . . . . . A 8 GLY HA2 . 30561 1 83 . 1 . 1 8 8 GLY HA3 H 1 3.890 0.02 . . . . . . A 8 GLY HA3 . 30561 1 84 . 1 . 1 8 8 GLY C C 13 175.406 . . . . . . . A 8 GLY C . 30561 1 85 . 1 . 1 8 8 GLY CA C 13 45.979 . . . . . . . A 8 GLY CA . 30561 1 86 . 1 . 1 8 8 GLY N N 15 118.429 . . . . . . . A 8 GLY N . 30561 1 87 . 1 . 1 9 9 THR H H 1 7.767 0.02 . . . . . . A 9 THR H . 30561 1 88 . 1 . 1 9 9 THR HA H 1 4.522 0.02 . . . . . . A 9 THR HA . 30561 1 89 . 1 . 1 9 9 THR HB H 1 4.482 0.02 . . . . . . A 9 THR HB . 30561 1 90 . 1 . 1 9 9 THR HG21 H 1 1.151 0.02 . . . . . . A 9 THR HG21 . 30561 1 91 . 1 . 1 9 9 THR HG22 H 1 1.151 0.02 . . . . . . A 9 THR HG22 . 30561 1 92 . 1 . 1 9 9 THR HG23 H 1 1.151 0.02 . . . . . . A 9 THR HG23 . 30561 1 93 . 1 . 1 9 9 THR C C 13 174.639 . . . . . . . A 9 THR C . 30561 1 94 . 1 . 1 9 9 THR CA C 13 61.137 . . . . . . . A 9 THR CA . 30561 1 95 . 1 . 1 9 9 THR CB C 13 70.651 . . . . . . . A 9 THR CB . 30561 1 96 . 1 . 1 9 9 THR CG2 C 13 22.021 . . . . . . . A 9 THR CG2 . 30561 1 97 . 1 . 1 9 9 THR N N 15 106.199 . . . . . . . A 9 THR N . 30561 1 98 . 1 . 1 10 10 PHE H H 1 7.831 0.02 . . . . . . A 10 PHE H . 30561 1 99 . 1 . 1 10 10 PHE HA H 1 3.439 0.02 . . . . . . A 10 PHE HA . 30561 1 100 . 1 . 1 10 10 PHE HB2 H 1 2.792 0.02 . . . . . . A 10 PHE HB2 . 30561 1 101 . 1 . 1 10 10 PHE HB3 H 1 2.406 0.02 . . . . . . A 10 PHE HB3 . 30561 1 102 . 1 . 1 10 10 PHE HD1 H 1 6.804 0.02 . . . . . . A 10 PHE HD1 . 30561 1 103 . 1 . 1 10 10 PHE HD2 H 1 6.804 0.02 . . . . . . A 10 PHE HD2 . 30561 1 104 . 1 . 1 10 10 PHE C C 13 174.825 . . . . . . . A 10 PHE C . 30561 1 105 . 1 . 1 10 10 PHE CA C 13 59.277 . . . . . . . A 10 PHE CA . 30561 1 106 . 1 . 1 10 10 PHE CB C 13 38.338 . . . . . . . A 10 PHE CB . 30561 1 107 . 1 . 1 10 10 PHE CD1 C 13 132.543 . . . . . . . A 10 PHE CD1 . 30561 1 108 . 1 . 1 10 10 PHE CD2 C 13 132.543 . . . . . . . A 10 PHE CD2 . 30561 1 109 . 1 . 1 10 10 PHE N N 15 125.755 . . . . . . . A 10 PHE N . 30561 1 110 . 1 . 1 11 11 LYS H H 1 7.753 0.02 . . . . . . A 11 LYS H . 30561 1 111 . 1 . 1 11 11 LYS HA H 1 4.406 0.02 . . . . . . A 11 LYS HA . 30561 1 112 . 1 . 1 11 11 LYS HB2 H 1 1.592 0.02 . . . . . . A 11 LYS HB2 . 30561 1 113 . 1 . 1 11 11 LYS HB3 H 1 1.492 0.02 . . . . . . A 11 LYS HB3 . 30561 1 114 . 1 . 1 11 11 LYS HG2 H 1 1.241 0.02 . . . . . . A 11 LYS HG2 . 30561 1 115 . 1 . 1 11 11 LYS HG3 H 1 1.331 0.02 . . . . . . A 11 LYS HG3 . 30561 1 116 . 1 . 1 11 11 LYS HD2 H 1 1.558 0.02 . . . . . . A 11 LYS HD2 . 30561 1 117 . 1 . 1 11 11 LYS HD3 H 1 2.189 0.02 . . . . . . A 11 LYS HD3 . 30561 1 118 . 1 . 1 11 11 LYS HE2 H 1 2.928 0.02 . . . . . . A 11 LYS HE2 . 30561 1 119 . 1 . 1 11 11 LYS C C 13 175.586 . . . . . . . A 11 LYS C . 30561 1 120 . 1 . 1 11 11 LYS CA C 13 55.244 . . . . . . . A 11 LYS CA . 30561 1 121 . 1 . 1 11 11 LYS CB C 13 34.009 . . . . . . . A 11 LYS CB . 30561 1 122 . 1 . 1 11 11 LYS CG C 13 24.351 . . . . . . . A 11 LYS CG . 30561 1 123 . 1 . 1 11 11 LYS CD C 13 28.785 . . . . . . . A 11 LYS CD . 30561 1 124 . 1 . 1 11 11 LYS CE C 13 42.000 . . . . . . . A 11 LYS CE . 30561 1 125 . 1 . 1 11 11 LYS N N 15 128.748 . . . . . . . A 11 LYS N . 30561 1 126 . 1 . 1 12 12 GLY H H 1 8.215 0.02 . . . . . . A 12 GLY H . 30561 1 127 . 1 . 1 12 12 GLY HA2 H 1 3.864 0.02 . . . . . . A 12 GLY HA2 . 30561 1 128 . 1 . 1 12 12 GLY HA3 H 1 4.104 0.02 . . . . . . A 12 GLY HA3 . 30561 1 129 . 1 . 1 12 12 GLY CA C 13 44.267 . . . . . . . A 12 GLY CA . 30561 1 130 . 1 . 1 12 12 GLY N N 15 110.353 . . . . . . . A 12 GLY N . 30561 1 131 . 1 . 1 13 13 PRO HA H 1 4.698 0.02 . . . . . . A 13 PRO HA . 30561 1 132 . 1 . 1 13 13 PRO HB2 H 1 2.312 0.02 . . . . . . A 13 PRO HB2 . 30561 1 133 . 1 . 1 13 13 PRO HB3 H 1 1.906 0.02 . . . . . . A 13 PRO HB3 . 30561 1 134 . 1 . 1 13 13 PRO HG2 H 1 2.076 0.02 . . . . . . A 13 PRO HG2 . 30561 1 135 . 1 . 1 13 13 PRO HG3 H 1 2.022 0.02 . . . . . . A 13 PRO HG3 . 30561 1 136 . 1 . 1 13 13 PRO HD2 H 1 3.618 0.02 . . . . . . A 13 PRO HD2 . 30561 1 137 . 1 . 1 13 13 PRO HD3 H 1 3.575 0.02 . . . . . . A 13 PRO HD3 . 30561 1 138 . 1 . 1 13 13 PRO CA C 13 62.805 . . . . . . . A 13 PRO CA . 30561 1 139 . 1 . 1 13 13 PRO CB C 13 32.230 . . . . . . . A 13 PRO CB . 30561 1 140 . 1 . 1 13 13 PRO CG C 13 27.245 . . . . . . . A 13 PRO CG . 30561 1 141 . 1 . 1 13 13 PRO CD C 13 49.276 . . . . . . . A 13 PRO CD . 30561 1 142 . 1 . 1 14 14 CYS HA H 1 4.737 0.02 . . . . . . A 14 CYS HA . 30561 1 143 . 1 . 1 14 14 CYS HB2 H 1 3.356 0.02 . . . . . . A 14 CYS HB2 . 30561 1 144 . 1 . 1 14 14 CYS HB3 H 1 2.989 0.02 . . . . . . A 14 CYS HB3 . 30561 1 145 . 1 . 1 14 14 CYS CA C 13 56.743 . . . . . . . A 14 CYS CA . 30561 1 146 . 1 . 1 14 14 CYS CB C 13 38.327 . . . . . . . A 14 CYS CB . 30561 1 147 . 1 . 1 15 15 ILE HA H 1 4.827 0.02 . . . . . . A 15 ILE HA . 30561 1 148 . 1 . 1 15 15 ILE HB H 1 2.082 0.02 . . . . . . A 15 ILE HB . 30561 1 149 . 1 . 1 15 15 ILE HG12 H 1 1.199 0.02 . . . . . . A 15 ILE HG12 . 30561 1 150 . 1 . 1 15 15 ILE HG13 H 1 1.288 0.02 . . . . . . A 15 ILE HG13 . 30561 1 151 . 1 . 1 15 15 ILE HG21 H 1 0.978 0.02 . . . . . . A 15 ILE HG21 . 30561 1 152 . 1 . 1 15 15 ILE HG22 H 1 0.978 0.02 . . . . . . A 15 ILE HG22 . 30561 1 153 . 1 . 1 15 15 ILE HG23 H 1 0.978 0.02 . . . . . . A 15 ILE HG23 . 30561 1 154 . 1 . 1 15 15 ILE HD11 H 1 0.894 0.02 . . . . . . A 15 ILE HD11 . 30561 1 155 . 1 . 1 15 15 ILE HD12 H 1 0.894 0.02 . . . . . . A 15 ILE HD12 . 30561 1 156 . 1 . 1 15 15 ILE HD13 H 1 0.894 0.02 . . . . . . A 15 ILE HD13 . 30561 1 157 . 1 . 1 15 15 ILE CA C 13 63.269 . . . . . . . A 15 ILE CA . 30561 1 158 . 1 . 1 15 15 ILE CB C 13 39.473 . . . . . . . A 15 ILE CB . 30561 1 159 . 1 . 1 15 15 ILE CG1 C 13 26.414 . . . . . . . A 15 ILE CG1 . 30561 1 160 . 1 . 1 15 15 ILE CG2 C 13 17.973 . . . . . . . A 15 ILE CG2 . 30561 1 161 . 1 . 1 15 15 ILE CD1 C 13 13.613 . . . . . . . A 15 ILE CD1 . 30561 1 162 . 1 . 1 16 16 PRO HA H 1 4.938 0.02 . . . . . . A 16 PRO HA . 30561 1 163 . 1 . 1 16 16 PRO HB2 H 1 2.373 0.02 . . . . . . A 16 PRO HB2 . 30561 1 164 . 1 . 1 16 16 PRO HB3 H 1 2.035 0.02 . . . . . . A 16 PRO HB3 . 30561 1 165 . 1 . 1 16 16 PRO HG2 H 1 2.016 0.02 . . . . . . A 16 PRO HG2 . 30561 1 166 . 1 . 1 16 16 PRO HG3 H 1 1.964 0.02 . . . . . . A 16 PRO HG3 . 30561 1 167 . 1 . 1 16 16 PRO HD2 H 1 3.687 0.02 . . . . . . A 16 PRO HD2 . 30561 1 168 . 1 . 1 16 16 PRO HD3 H 1 3.742 0.02 . . . . . . A 16 PRO HD3 . 30561 1 169 . 1 . 1 16 16 PRO CA C 13 63.250 . . . . . . . A 16 PRO CA . 30561 1 170 . 1 . 1 16 16 PRO CB C 13 28.258 . . . . . . . A 16 PRO CB . 30561 1 171 . 1 . 1 16 16 PRO CG C 13 27.753 . . . . . . . A 16 PRO CG . 30561 1 172 . 1 . 1 16 16 PRO CD C 13 50.989 . . . . . . . A 16 PRO CD . 30561 1 173 . 1 . 1 17 17 ASP HA H 1 4.730 0.02 . . . . . . A 17 ASP HA . 30561 1 174 . 1 . 1 17 17 ASP HB2 H 1 3.106 0.02 . . . . . . A 17 ASP HB2 . 30561 1 175 . 1 . 1 17 17 ASP HB3 H 1 2.533 0.02 . . . . . . A 17 ASP HB3 . 30561 1 176 . 1 . 1 17 17 ASP C C 13 178.007 . . . . . . . A 17 ASP C . 30561 1 177 . 1 . 1 17 17 ASP CA C 13 52.755 . . . . . . . A 17 ASP CA . 30561 1 178 . 1 . 1 17 17 ASP CB C 13 41.511 . . . . . . . A 17 ASP CB . 30561 1 179 . 1 . 1 18 18 GLY H H 1 8.492 0.02 . . . . . . A 18 GLY H . 30561 1 180 . 1 . 1 18 18 GLY HA2 H 1 4.317 0.02 . . . . . . A 18 GLY HA2 . 30561 1 181 . 1 . 1 18 18 GLY HA3 H 1 4.094 0.02 . . . . . . A 18 GLY HA3 . 30561 1 182 . 1 . 1 18 18 GLY CA C 13 45.815 . . . . . . . A 18 GLY CA . 30561 1 183 . 1 . 1 18 18 GLY N N 15 107.969 . . . . . . . A 18 GLY N . 30561 1 184 . 1 . 1 19 19 ASN H H 1 6.834 0.02 . . . . . . A 19 ASN H . 30561 1 185 . 1 . 1 19 19 ASN HA H 1 4.316 0.02 . . . . . . A 19 ASN HA . 30561 1 186 . 1 . 1 19 19 ASN HB2 H 1 3.036 0.02 . . . . . . A 19 ASN HB2 . 30561 1 187 . 1 . 1 19 19 ASN HB3 H 1 2.654 0.02 . . . . . . A 19 ASN HB3 . 30561 1 188 . 1 . 1 19 19 ASN HD21 H 1 7.704 0.02 . . . . . . A 19 ASN HD21 . 30561 1 189 . 1 . 1 19 19 ASN HD22 H 1 7.134 0.02 . . . . . . A 19 ASN HD22 . 30561 1 190 . 1 . 1 19 19 ASN C C 13 176.094 . . . . . . . A 19 ASN C . 30561 1 191 . 1 . 1 19 19 ASN CA C 13 52.984 . . . . . . . A 19 ASN CA . 30561 1 192 . 1 . 1 19 19 ASN CB C 13 39.806 . . . . . . . A 19 ASN CB . 30561 1 193 . 1 . 1 19 19 ASN ND2 N 15 114.303 . . . . . . . A 19 ASN ND2 . 30561 1 194 . 1 . 1 20 20 CYS H H 1 8.379 0.02 . . . . . . A 20 CYS H . 30561 1 195 . 1 . 1 20 20 CYS HA H 1 4.309 0.02 . . . . . . A 20 CYS HA . 30561 1 196 . 1 . 1 20 20 CYS HB2 H 1 2.762 0.02 . . . . . . A 20 CYS HB2 . 30561 1 197 . 1 . 1 20 20 CYS HB3 H 1 2.630 0.02 . . . . . . A 20 CYS HB3 . 30561 1 198 . 1 . 1 20 20 CYS C C 13 175.514 . . . . . . . A 20 CYS C . 30561 1 199 . 1 . 1 20 20 CYS CA C 13 58.597 . . . . . . . A 20 CYS CA . 30561 1 200 . 1 . 1 20 20 CYS CB C 13 34.997 . . . . . . . A 20 CYS CB . 30561 1 201 . 1 . 1 20 20 CYS N N 15 113.062 . . . . . . . A 20 CYS N . 30561 1 202 . 1 . 1 21 21 ASN H H 1 8.508 0.02 . . . . . . A 21 ASN H . 30561 1 203 . 1 . 1 21 21 ASN HA H 1 3.994 0.02 . . . . . . A 21 ASN HA . 30561 1 204 . 1 . 1 21 21 ASN HB2 H 1 3.129 0.02 . . . . . . A 21 ASN HB2 . 30561 1 205 . 1 . 1 21 21 ASN HB3 H 1 2.797 0.02 . . . . . . A 21 ASN HB3 . 30561 1 206 . 1 . 1 21 21 ASN HD21 H 1 6.791 0.02 . . . . . . A 21 ASN HD21 . 30561 1 207 . 1 . 1 21 21 ASN HD22 H 1 7.778 0.02 . . . . . . A 21 ASN HD22 . 30561 1 208 . 1 . 1 21 21 ASN C C 13 176.487 . . . . . . . A 21 ASN C . 30561 1 209 . 1 . 1 21 21 ASN CA C 13 57.848 . . . . . . . A 21 ASN CA . 30561 1 210 . 1 . 1 21 21 ASN CB C 13 39.007 . . . . . . . A 21 ASN CB . 30561 1 211 . 1 . 1 21 21 ASN N N 15 119.227 . . . . . . . A 21 ASN N . 30561 1 212 . 1 . 1 21 21 ASN ND2 N 15 113.653 . . . . . . . A 21 ASN ND2 . 30561 1 213 . 1 . 1 22 22 LYS H H 1 7.705 0.02 . . . . . . A 22 LYS H . 30561 1 214 . 1 . 1 22 22 LYS HA H 1 3.921 0.02 . . . . . . A 22 LYS HA . 30561 1 215 . 1 . 1 22 22 LYS HB2 H 1 1.990 0.02 . . . . . . A 22 LYS HB2 . 30561 1 216 . 1 . 1 22 22 LYS HB3 H 1 1.988 0.02 . . . . . . A 22 LYS HB3 . 30561 1 217 . 1 . 1 22 22 LYS HG2 H 1 1.626 0.02 . . . . . . A 22 LYS HG2 . 30561 1 218 . 1 . 1 22 22 LYS HG3 H 1 1.487 0.02 . . . . . . A 22 LYS HG3 . 30561 1 219 . 1 . 1 22 22 LYS HD2 H 1 1.731 0.02 . . . . . . A 22 LYS HD2 . 30561 1 220 . 1 . 1 22 22 LYS HD3 H 1 1.731 0.02 . . . . . . A 22 LYS HD3 . 30561 1 221 . 1 . 1 22 22 LYS HE2 H 1 3.002 0.02 . . . . . . A 22 LYS HE2 . 30561 1 222 . 1 . 1 22 22 LYS HE3 H 1 3.000 0.02 . . . . . . A 22 LYS HE3 . 30561 1 223 . 1 . 1 22 22 LYS C C 13 177.983 . . . . . . . A 22 LYS C . 30561 1 224 . 1 . 1 22 22 LYS CA C 13 60.092 . . . . . . . A 22 LYS CA . 30561 1 225 . 1 . 1 22 22 LYS CB C 13 32.632 . . . . . . . A 22 LYS CB . 30561 1 226 . 1 . 1 22 22 LYS CG C 13 25.438 . . . . . . . A 22 LYS CG . 30561 1 227 . 1 . 1 22 22 LYS CD C 13 29.417 . . . . . . . A 22 LYS CD . 30561 1 228 . 1 . 1 22 22 LYS CE C 13 42.019 . . . . . . . A 22 LYS CE . 30561 1 229 . 1 . 1 22 22 LYS N N 15 116.499 . . . . . . . A 22 LYS N . 30561 1 230 . 1 . 1 23 23 HIS H H 1 8.718 0.02 . . . . . . A 23 HIS H . 30561 1 231 . 1 . 1 23 23 HIS HA H 1 4.385 0.02 . . . . . . A 23 HIS HA . 30561 1 232 . 1 . 1 23 23 HIS HB2 H 1 3.564 0.02 . . . . . . A 23 HIS HB2 . 30561 1 233 . 1 . 1 23 23 HIS HB3 H 1 3.508 0.02 . . . . . . A 23 HIS HB3 . 30561 1 234 . 1 . 1 23 23 HIS C C 13 178.728 . . . . . . . A 23 HIS C . 30561 1 235 . 1 . 1 23 23 HIS CA C 13 60.191 . . . . . . . A 23 HIS CA . 30561 1 236 . 1 . 1 23 23 HIS CB C 13 30.808 . . . . . . . A 23 HIS CB . 30561 1 237 . 1 . 1 23 23 HIS N N 15 119.694 . . . . . . . A 23 HIS N . 30561 1 238 . 1 . 1 24 24 CYS H H 1 9.143 0.02 . . . . . . A 24 CYS H . 30561 1 239 . 1 . 1 24 24 CYS HA H 1 4.104 0.02 . . . . . . A 24 CYS HA . 30561 1 240 . 1 . 1 24 24 CYS HB2 H 1 2.600 0.02 . . . . . . A 24 CYS HB2 . 30561 1 241 . 1 . 1 24 24 CYS HB3 H 1 2.544 0.02 . . . . . . A 24 CYS HB3 . 30561 1 242 . 1 . 1 24 24 CYS C C 13 175.747 . . . . . . . A 24 CYS C . 30561 1 243 . 1 . 1 24 24 CYS CA C 13 59.084 . . . . . . . A 24 CYS CA . 30561 1 244 . 1 . 1 24 24 CYS CB C 13 37.749 . . . . . . . A 24 CYS CB . 30561 1 245 . 1 . 1 24 24 CYS N N 15 118.475 . . . . . . . A 24 CYS N . 30561 1 246 . 1 . 1 25 25 ARG H H 1 7.868 0.02 . . . . . . A 25 ARG H . 30561 1 247 . 1 . 1 25 25 ARG HA H 1 4.276 0.02 . . . . . . A 25 ARG HA . 30561 1 248 . 1 . 1 25 25 ARG HB2 H 1 1.534 0.02 . . . . . . A 25 ARG HB2 . 30561 1 249 . 1 . 1 25 25 ARG HB3 H 1 1.800 0.02 . . . . . . A 25 ARG HB3 . 30561 1 250 . 1 . 1 25 25 ARG HG2 H 1 1.494 0.02 . . . . . . A 25 ARG HG2 . 30561 1 251 . 1 . 1 25 25 ARG HG3 H 1 1.492 0.02 . . . . . . A 25 ARG HG3 . 30561 1 252 . 1 . 1 25 25 ARG HD2 H 1 3.259 0.02 . . . . . . A 25 ARG HD2 . 30561 1 253 . 1 . 1 25 25 ARG HD3 H 1 3.027 0.02 . . . . . . A 25 ARG HD3 . 30561 1 254 . 1 . 1 25 25 ARG C C 13 171.035 . . . . . . . A 25 ARG C . 30561 1 255 . 1 . 1 25 25 ARG CA C 13 58.766 . . . . . . . A 25 ARG CA . 30561 1 256 . 1 . 1 25 25 ARG CB C 13 31.294 . . . . . . . A 25 ARG CB . 30561 1 257 . 1 . 1 25 25 ARG CG C 13 31.313 . . . . . . . A 25 ARG CG . 30561 1 258 . 1 . 1 25 25 ARG CD C 13 43.530 . . . . . . . A 25 ARG CD . 30561 1 259 . 1 . 1 25 25 ARG N N 15 116.157 . . . . . . . A 25 ARG N . 30561 1 260 . 1 . 1 26 26 ASN H H 1 8.882 0.02 . . . . . . A 26 ASN H . 30561 1 261 . 1 . 1 26 26 ASN HA H 1 4.466 0.02 . . . . . . A 26 ASN HA . 30561 1 262 . 1 . 1 26 26 ASN HB2 H 1 2.861 0.02 . . . . . . A 26 ASN HB2 . 30561 1 263 . 1 . 1 26 26 ASN HB3 H 1 2.719 0.02 . . . . . . A 26 ASN HB3 . 30561 1 264 . 1 . 1 26 26 ASN HD21 H 1 7.621 0.02 . . . . . . A 26 ASN HD21 . 30561 1 265 . 1 . 1 26 26 ASN HD22 H 1 7.014 0.02 . . . . . . A 26 ASN HD22 . 30561 1 266 . 1 . 1 26 26 ASN C C 13 175.569 . . . . . . . A 26 ASN C . 30561 1 267 . 1 . 1 26 26 ASN CA C 13 55.247 . . . . . . . A 26 ASN CA . 30561 1 268 . 1 . 1 26 26 ASN CB C 13 38.082 . . . . . . . A 26 ASN CB . 30561 1 269 . 1 . 1 26 26 ASN N N 15 116.522 . . . . . . . A 26 ASN N . 30561 1 270 . 1 . 1 26 26 ASN ND2 N 15 113.282 . . . . . . . A 26 ASN ND2 . 30561 1 271 . 1 . 1 27 27 ASN H H 1 7.954 0.02 . . . . . . A 27 ASN H . 30561 1 272 . 1 . 1 27 27 ASN HA H 1 4.658 0.02 . . . . . . A 27 ASN HA . 30561 1 273 . 1 . 1 27 27 ASN HB2 H 1 2.481 0.02 . . . . . . A 27 ASN HB2 . 30561 1 274 . 1 . 1 27 27 ASN HB3 H 1 2.289 0.02 . . . . . . A 27 ASN HB3 . 30561 1 275 . 1 . 1 27 27 ASN HD21 H 1 6.992 0.02 . . . . . . A 27 ASN HD21 . 30561 1 276 . 1 . 1 27 27 ASN HD22 H 1 7.837 0.02 . . . . . . A 27 ASN HD22 . 30561 1 277 . 1 . 1 27 27 ASN C C 13 176.209 . . . . . . . A 27 ASN C . 30561 1 278 . 1 . 1 27 27 ASN CA C 13 54.520 . . . . . . . A 27 ASN CA . 30561 1 279 . 1 . 1 27 27 ASN CB C 13 37.731 . . . . . . . A 27 ASN CB . 30561 1 280 . 1 . 1 27 27 ASN N N 15 115.147 . . . . . . . A 27 ASN N . 30561 1 281 . 1 . 1 27 27 ASN ND2 N 15 112.809 . . . . . . . A 27 ASN ND2 . 30561 1 282 . 1 . 1 28 28 GLU H H 1 7.024 0.02 . . . . . . A 28 GLU H . 30561 1 283 . 1 . 1 28 28 GLU HA H 1 4.275 0.02 . . . . . . A 28 GLU HA . 30561 1 284 . 1 . 1 28 28 GLU HB2 H 1 2.296 0.02 . . . . . . A 28 GLU HB2 . 30561 1 285 . 1 . 1 28 28 GLU HB3 H 1 2.239 0.02 . . . . . . A 28 GLU HB3 . 30561 1 286 . 1 . 1 28 28 GLU HG2 H 1 2.018 0.02 . . . . . . A 28 GLU HG2 . 30561 1 287 . 1 . 1 28 28 GLU HG3 H 1 2.019 0.02 . . . . . . A 28 GLU HG3 . 30561 1 288 . 1 . 1 28 28 GLU C C 13 175.486 . . . . . . . A 28 GLU C . 30561 1 289 . 1 . 1 28 28 GLU CA C 13 56.521 . . . . . . . A 28 GLU CA . 30561 1 290 . 1 . 1 28 28 GLU CB C 13 30.069 . . . . . . . A 28 GLU CB . 30561 1 291 . 1 . 1 28 28 GLU CG C 13 37.926 . . . . . . . A 28 GLU CG . 30561 1 292 . 1 . 1 28 28 GLU N N 15 114.454 . . . . . . . A 28 GLU N . 30561 1 293 . 1 . 1 29 29 HIS H H 1 6.513 0.02 . . . . . . A 29 HIS H . 30561 1 294 . 1 . 1 29 29 HIS HA H 1 4.660 0.02 . . . . . . A 29 HIS HA . 30561 1 295 . 1 . 1 29 29 HIS HB2 H 1 3.548 0.02 . . . . . . A 29 HIS HB2 . 30561 1 296 . 1 . 1 29 29 HIS HB3 H 1 3.432 0.02 . . . . . . A 29 HIS HB3 . 30561 1 297 . 1 . 1 29 29 HIS C C 13 174.232 . . . . . . . A 29 HIS C . 30561 1 298 . 1 . 1 29 29 HIS CA C 13 56.287 . . . . . . . A 29 HIS CA . 30561 1 299 . 1 . 1 29 29 HIS CB C 13 25.174 . . . . . . . A 29 HIS CB . 30561 1 300 . 1 . 1 29 29 HIS N N 15 111.335 . . . . . . . A 29 HIS N . 30561 1 301 . 1 . 1 30 30 LEU H H 1 8.653 0.02 . . . . . . A 30 LEU H . 30561 1 302 . 1 . 1 30 30 LEU HA H 1 4.942 0.02 . . . . . . A 30 LEU HA . 30561 1 303 . 1 . 1 30 30 LEU HB2 H 1 1.915 0.02 . . . . . . A 30 LEU HB2 . 30561 1 304 . 1 . 1 30 30 LEU HB3 H 1 1.438 0.02 . . . . . . A 30 LEU HB3 . 30561 1 305 . 1 . 1 30 30 LEU HG H 1 1.753 0.02 . . . . . . A 30 LEU HG . 30561 1 306 . 1 . 1 30 30 LEU HD11 H 1 0.955 0.02 . . . . . . A 30 LEU HD11 . 30561 1 307 . 1 . 1 30 30 LEU HD12 H 1 0.955 0.02 . . . . . . A 30 LEU HD12 . 30561 1 308 . 1 . 1 30 30 LEU HD13 H 1 0.955 0.02 . . . . . . A 30 LEU HD13 . 30561 1 309 . 1 . 1 30 30 LEU HD21 H 1 0.939 0.02 . . . . . . A 30 LEU HD21 . 30561 1 310 . 1 . 1 30 30 LEU HD22 H 1 0.939 0.02 . . . . . . A 30 LEU HD22 . 30561 1 311 . 1 . 1 30 30 LEU HD23 H 1 0.939 0.02 . . . . . . A 30 LEU HD23 . 30561 1 312 . 1 . 1 30 30 LEU C C 13 176.206 . . . . . . . A 30 LEU C . 30561 1 313 . 1 . 1 30 30 LEU CA C 13 53.217 . . . . . . . A 30 LEU CA . 30561 1 314 . 1 . 1 30 30 LEU CB C 13 40.222 . . . . . . . A 30 LEU CB . 30561 1 315 . 1 . 1 30 30 LEU CG C 13 26.336 . . . . . . . A 30 LEU CG . 30561 1 316 . 1 . 1 30 30 LEU CD1 C 13 26.268 . . . . . . . A 30 LEU CD1 . 30561 1 317 . 1 . 1 30 30 LEU CD2 C 13 21.993 . . . . . . . A 30 LEU CD2 . 30561 1 318 . 1 . 1 30 30 LEU N N 15 119.961 . . . . . . . A 30 LEU N . 30561 1 319 . 1 . 1 31 31 LEU H H 1 8.196 0.02 . . . . . . A 31 LEU H . 30561 1 320 . 1 . 1 31 31 LEU HA H 1 4.180 0.02 . . . . . . A 31 LEU HA . 30561 1 321 . 1 . 1 31 31 LEU HB2 H 1 1.617 0.02 . . . . . . A 31 LEU HB2 . 30561 1 322 . 1 . 1 31 31 LEU HB3 H 1 1.427 0.02 . . . . . . A 31 LEU HB3 . 30561 1 323 . 1 . 1 31 31 LEU HG H 1 1.706 0.02 . . . . . . A 31 LEU HG . 30561 1 324 . 1 . 1 31 31 LEU HD11 H 1 0.785 0.02 . . . . . . A 31 LEU HD11 . 30561 1 325 . 1 . 1 31 31 LEU HD12 H 1 0.785 0.02 . . . . . . A 31 LEU HD12 . 30561 1 326 . 1 . 1 31 31 LEU HD13 H 1 0.785 0.02 . . . . . . A 31 LEU HD13 . 30561 1 327 . 1 . 1 31 31 LEU HD21 H 1 0.867 0.02 . . . . . . A 31 LEU HD21 . 30561 1 328 . 1 . 1 31 31 LEU HD22 H 1 0.867 0.02 . . . . . . A 31 LEU HD22 . 30561 1 329 . 1 . 1 31 31 LEU HD23 H 1 0.867 0.02 . . . . . . A 31 LEU HD23 . 30561 1 330 . 1 . 1 31 31 LEU C C 13 178.436 . . . . . . . A 31 LEU C . 30561 1 331 . 1 . 1 31 31 LEU CA C 13 58.228 . . . . . . . A 31 LEU CA . 30561 1 332 . 1 . 1 31 31 LEU CB C 13 42.935 . . . . . . . A 31 LEU CB . 30561 1 333 . 1 . 1 31 31 LEU CG C 13 26.988 . . . . . . . A 31 LEU CG . 30561 1 334 . 1 . 1 31 31 LEU CD1 C 13 25.549 . . . . . . . A 31 LEU CD1 . 30561 1 335 . 1 . 1 31 31 LEU CD2 C 13 22.544 . . . . . . . A 31 LEU CD2 . 30561 1 336 . 1 . 1 31 31 LEU N N 15 116.238 . . . . . . . A 31 LEU N . 30561 1 337 . 1 . 1 32 32 SER H H 1 7.558 0.02 . . . . . . A 32 SER H . 30561 1 338 . 1 . 1 32 32 SER HA H 1 4.562 0.02 . . . . . . A 32 SER HA . 30561 1 339 . 1 . 1 32 32 SER HB2 H 1 4.109 0.02 . . . . . . A 32 SER HB2 . 30561 1 340 . 1 . 1 32 32 SER HB3 H 1 3.983 0.02 . . . . . . A 32 SER HB3 . 30561 1 341 . 1 . 1 32 32 SER C C 13 172.898 . . . . . . . A 32 SER C . 30561 1 342 . 1 . 1 32 32 SER CA C 13 57.770 . . . . . . . A 32 SER CA . 30561 1 343 . 1 . 1 32 32 SER CB C 13 63.751 . . . . . . . A 32 SER CB . 30561 1 344 . 1 . 1 32 32 SER N N 15 106.131 . . . . . . . A 32 SER N . 30561 1 345 . 1 . 1 33 33 GLY H H 1 9.052 0.02 . . . . . . A 33 GLY H . 30561 1 346 . 1 . 1 33 33 GLY HA2 H 1 5.332 0.02 . . . . . . A 33 GLY HA2 . 30561 1 347 . 1 . 1 33 33 GLY HA3 H 1 4.063 0.02 . . . . . . A 33 GLY HA3 . 30561 1 348 . 1 . 1 33 33 GLY C C 13 177.998 . . . . . . . A 33 GLY C . 30561 1 349 . 1 . 1 33 33 GLY CA C 13 46.923 . . . . . . . A 33 GLY CA . 30561 1 350 . 1 . 1 33 33 GLY N N 15 108.318 . . . . . . . A 33 GLY N . 30561 1 351 . 1 . 1 34 34 ARG H H 1 8.882 0.02 . . . . . . A 34 ARG H . 30561 1 352 . 1 . 1 34 34 ARG HA H 1 4.846 0.02 . . . . . . A 34 ARG HA . 30561 1 353 . 1 . 1 34 34 ARG HB2 H 1 2.018 0.02 . . . . . . A 34 ARG HB2 . 30561 1 354 . 1 . 1 34 34 ARG HB3 H 1 1.641 0.02 . . . . . . A 34 ARG HB3 . 30561 1 355 . 1 . 1 34 34 ARG HG2 H 1 1.549 0.02 . . . . . . A 34 ARG HG2 . 30561 1 356 . 1 . 1 34 34 ARG HG3 H 1 1.651 0.02 . . . . . . A 34 ARG HG3 . 30561 1 357 . 1 . 1 34 34 ARG HD2 H 1 3.266 0.02 . . . . . . A 34 ARG HD2 . 30561 1 358 . 1 . 1 34 34 ARG HD3 H 1 3.132 0.02 . . . . . . A 34 ARG HD3 . 30561 1 359 . 1 . 1 34 34 ARG C C 13 174.960 . . . . . . . A 34 ARG C . 30561 1 360 . 1 . 1 34 34 ARG CA C 13 53.737 . . . . . . . A 34 ARG CA . 30561 1 361 . 1 . 1 34 34 ARG CB C 13 31.701 . . . . . . . A 34 ARG CB . 30561 1 362 . 1 . 1 34 34 ARG CG C 13 26.310 . . . . . . . A 34 ARG CG . 30561 1 363 . 1 . 1 34 34 ARG CD C 13 42.463 . . . . . . . A 34 ARG CD . 30561 1 364 . 1 . 1 34 34 ARG N N 15 116.549 . . . . . . . A 34 ARG N . 30561 1 365 . 1 . 1 35 35 CYS H H 1 8.924 0.02 . . . . . . A 35 CYS H . 30561 1 366 . 1 . 1 35 35 CYS HA H 1 4.173 0.02 . . . . . . A 35 CYS HA . 30561 1 367 . 1 . 1 35 35 CYS HB2 H 1 3.540 0.02 . . . . . . A 35 CYS HB2 . 30561 1 368 . 1 . 1 35 35 CYS HB3 H 1 3.397 0.02 . . . . . . A 35 CYS HB3 . 30561 1 369 . 1 . 1 35 35 CYS C C 13 172.992 . . . . . . . A 35 CYS C . 30561 1 370 . 1 . 1 35 35 CYS CA C 13 59.825 . . . . . . . A 35 CYS CA . 30561 1 371 . 1 . 1 35 35 CYS CB C 13 35.803 . . . . . . . A 35 CYS CB . 30561 1 372 . 1 . 1 35 35 CYS N N 15 119.501 . . . . . . . A 35 CYS N . 30561 1 373 . 1 . 1 36 36 ARG H H 1 8.805 0.02 . . . . . . A 36 ARG H . 30561 1 374 . 1 . 1 36 36 ARG HA H 1 5.100 0.02 . . . . . . A 36 ARG HA . 30561 1 375 . 1 . 1 36 36 ARG HB2 H 1 1.792 0.02 . . . . . . A 36 ARG HB2 . 30561 1 376 . 1 . 1 36 36 ARG HB3 H 1 2.185 0.02 . . . . . . A 36 ARG HB3 . 30561 1 377 . 1 . 1 36 36 ARG HG2 H 1 1.839 0.02 . . . . . . A 36 ARG HG2 . 30561 1 378 . 1 . 1 36 36 ARG HG3 H 1 1.364 0.02 . . . . . . A 36 ARG HG3 . 30561 1 379 . 1 . 1 36 36 ARG HD2 H 1 3.216 0.02 . . . . . . A 36 ARG HD2 . 30561 1 380 . 1 . 1 36 36 ARG HD3 H 1 3.330 0.02 . . . . . . A 36 ARG HD3 . 30561 1 381 . 1 . 1 36 36 ARG C C 13 174.633 . . . . . . . A 36 ARG C . 30561 1 382 . 1 . 1 36 36 ARG CA C 13 52.851 . . . . . . . A 36 ARG CA . 30561 1 383 . 1 . 1 36 36 ARG CB C 13 35.974 . . . . . . . A 36 ARG CB . 30561 1 384 . 1 . 1 36 36 ARG CG C 13 25.840 . . . . . . . A 36 ARG CG . 30561 1 385 . 1 . 1 36 36 ARG CD C 13 43.451 . . . . . . . A 36 ARG CD . 30561 1 386 . 1 . 1 36 36 ARG N N 15 121.357 . . . . . . . A 36 ARG N . 30561 1 387 . 1 . 1 37 37 ASP H H 1 9.015 0.02 . . . . . . A 37 ASP H . 30561 1 388 . 1 . 1 37 37 ASP HA H 1 4.640 0.02 . . . . . . A 37 ASP HA . 30561 1 389 . 1 . 1 37 37 ASP HB2 H 1 1.833 0.02 . . . . . . A 37 ASP HB2 . 30561 1 390 . 1 . 1 37 37 ASP HB3 H 1 1.833 0.02 . . . . . . A 37 ASP HB3 . 30561 1 391 . 1 . 1 37 37 ASP C C 13 176.836 . . . . . . . A 37 ASP C . 30561 1 392 . 1 . 1 37 37 ASP CA C 13 55.359 . . . . . . . A 37 ASP CA . 30561 1 393 . 1 . 1 37 37 ASP CB C 13 38.761 . . . . . . . A 37 ASP CB . 30561 1 394 . 1 . 1 37 37 ASP N N 15 120.434 . . . . . . . A 37 ASP N . 30561 1 395 . 1 . 1 38 38 ASP H H 1 8.295 0.02 . . . . . . A 38 ASP H . 30561 1 396 . 1 . 1 38 38 ASP HA H 1 4.067 0.02 . . . . . . A 38 ASP HA . 30561 1 397 . 1 . 1 38 38 ASP HB2 H 1 2.635 0.02 . . . . . . A 38 ASP HB2 . 30561 1 398 . 1 . 1 38 38 ASP HB3 H 1 2.634 0.02 . . . . . . A 38 ASP HB3 . 30561 1 399 . 1 . 1 38 38 ASP C C 13 174.271 . . . . . . . A 38 ASP C . 30561 1 400 . 1 . 1 38 38 ASP CA C 13 55.725 . . . . . . . A 38 ASP CA . 30561 1 401 . 1 . 1 38 38 ASP CB C 13 39.495 . . . . . . . A 38 ASP CB . 30561 1 402 . 1 . 1 38 38 ASP N N 15 120.333 . . . . . . . A 38 ASP N . 30561 1 403 . 1 . 1 39 39 PHE H H 1 7.959 0.02 . . . . . . A 39 PHE H . 30561 1 404 . 1 . 1 39 39 PHE HA H 1 5.083 0.02 . . . . . . A 39 PHE HA . 30561 1 405 . 1 . 1 39 39 PHE HB2 H 1 2.896 0.02 . . . . . . A 39 PHE HB2 . 30561 1 406 . 1 . 1 39 39 PHE HB3 H 1 2.693 0.02 . . . . . . A 39 PHE HB3 . 30561 1 407 . 1 . 1 39 39 PHE HD1 H 1 6.940 0.02 . . . . . . A 39 PHE HD1 . 30561 1 408 . 1 . 1 39 39 PHE HD2 H 1 6.940 0.02 . . . . . . A 39 PHE HD2 . 30561 1 409 . 1 . 1 39 39 PHE C C 13 175.089 . . . . . . . A 39 PHE C . 30561 1 410 . 1 . 1 39 39 PHE CA C 13 54.080 . . . . . . . A 39 PHE CA . 30561 1 411 . 1 . 1 39 39 PHE CB C 13 39.109 . . . . . . . A 39 PHE CB . 30561 1 412 . 1 . 1 39 39 PHE CD1 C 13 130.456 . . . . . . . A 39 PHE CD1 . 30561 1 413 . 1 . 1 39 39 PHE CD2 C 13 130.456 . . . . . . . A 39 PHE CD2 . 30561 1 414 . 1 . 1 39 39 PHE N N 15 116.604 . . . . . . . A 39 PHE N . 30561 1 415 . 1 . 1 40 40 ARG H H 1 8.432 0.02 . . . . . . A 40 ARG H . 30561 1 416 . 1 . 1 40 40 ARG HA H 1 4.663 0.02 . . . . . . A 40 ARG HA . 30561 1 417 . 1 . 1 40 40 ARG CA C 13 56.079 . . . . . . . A 40 ARG CA . 30561 1 418 . 1 . 1 40 40 ARG CB C 13 43.392 . . . . . . . A 40 ARG CB . 30561 1 419 . 1 . 1 40 40 ARG N N 15 125.159 . . . . . . . A 40 ARG N . 30561 1 420 . 1 . 1 41 41 CYS HA H 1 4.910 0.02 . . . . . . A 41 CYS HA . 30561 1 421 . 1 . 1 41 41 CYS HB2 H 1 2.085 0.02 . . . . . . A 41 CYS HB2 . 30561 1 422 . 1 . 1 41 41 CYS HB3 H 1 1.658 0.02 . . . . . . A 41 CYS HB3 . 30561 1 423 . 1 . 1 41 41 CYS CA C 13 54.185 . . . . . . . A 41 CYS CA . 30561 1 424 . 1 . 1 41 41 CYS CB C 13 36.000 . . . . . . . A 41 CYS CB . 30561 1 425 . 1 . 1 42 42 TRP H H 1 9.053 0.02 . . . . . . A 42 TRP H . 30561 1 426 . 1 . 1 42 42 TRP HA H 1 4.778 0.02 . . . . . . A 42 TRP HA . 30561 1 427 . 1 . 1 42 42 TRP HB2 H 1 2.924 0.02 . . . . . . A 42 TRP HB2 . 30561 1 428 . 1 . 1 42 42 TRP HB3 H 1 2.874 0.02 . . . . . . A 42 TRP HB3 . 30561 1 429 . 1 . 1 42 42 TRP HD1 H 1 7.410 0.02 . . . . . . A 42 TRP HD1 . 30561 1 430 . 1 . 1 42 42 TRP HE1 H 1 9.393 0.02 . . . . . . A 42 TRP HE1 . 30561 1 431 . 1 . 1 42 42 TRP HE3 H 1 6.954 0.02 . . . . . . A 42 TRP HE3 . 30561 1 432 . 1 . 1 42 42 TRP HZ2 H 1 7.489 0.02 . . . . . . A 42 TRP HZ2 . 30561 1 433 . 1 . 1 42 42 TRP HZ3 H 1 7.109 0.02 . . . . . . A 42 TRP HZ3 . 30561 1 434 . 1 . 1 42 42 TRP HH2 H 1 7.230 0.02 . . . . . . A 42 TRP HH2 . 30561 1 435 . 1 . 1 42 42 TRP C C 13 176.698 . . . . . . . A 42 TRP C . 30561 1 436 . 1 . 1 42 42 TRP CA C 13 56.281 . . . . . . . A 42 TRP CA . 30561 1 437 . 1 . 1 42 42 TRP CB C 13 29.870 . . . . . . . A 42 TRP CB . 30561 1 438 . 1 . 1 42 42 TRP CD1 C 13 126.820 . . . . . . . A 42 TRP CD1 . 30561 1 439 . 1 . 1 42 42 TRP CE3 C 13 118.883 . . . . . . . A 42 TRP CE3 . 30561 1 440 . 1 . 1 42 42 TRP CZ2 C 13 115.427 . . . . . . . A 42 TRP CZ2 . 30561 1 441 . 1 . 1 42 42 TRP CZ3 C 13 120.403 . . . . . . . A 42 TRP CZ3 . 30561 1 442 . 1 . 1 42 42 TRP CH2 C 13 124.345 . . . . . . . A 42 TRP CH2 . 30561 1 443 . 1 . 1 42 42 TRP N N 15 130.169 . . . . . . . A 42 TRP N . 30561 1 444 . 1 . 1 42 42 TRP NE1 N 15 124.939 . . . . . . . A 42 TRP NE1 . 30561 1 445 . 1 . 1 43 43 CYS H H 1 9.202 0.02 . . . . . . A 43 CYS H . 30561 1 446 . 1 . 1 43 43 CYS HA H 1 5.949 0.02 . . . . . . A 43 CYS HA . 30561 1 447 . 1 . 1 43 43 CYS HB2 H 1 3.237 0.02 . . . . . . A 43 CYS HB2 . 30561 1 448 . 1 . 1 43 43 CYS HB3 H 1 2.934 0.02 . . . . . . A 43 CYS HB3 . 30561 1 449 . 1 . 1 43 43 CYS C C 13 175.559 . . . . . . . A 43 CYS C . 30561 1 450 . 1 . 1 43 43 CYS CA C 13 51.690 . . . . . . . A 43 CYS CA . 30561 1 451 . 1 . 1 43 43 CYS CB C 13 39.246 . . . . . . . A 43 CYS CB . 30561 1 452 . 1 . 1 43 43 CYS N N 15 120.338 . . . . . . . A 43 CYS N . 30561 1 453 . 1 . 1 44 44 THR H H 1 9.027 0.02 . . . . . . A 44 THR H . 30561 1 454 . 1 . 1 44 44 THR HA H 1 5.260 0.02 . . . . . . A 44 THR HA . 30561 1 455 . 1 . 1 44 44 THR HB H 1 4.054 0.02 . . . . . . A 44 THR HB . 30561 1 456 . 1 . 1 44 44 THR HG21 H 1 1.121 0.02 . . . . . . A 44 THR HG21 . 30561 1 457 . 1 . 1 44 44 THR HG22 H 1 1.121 0.02 . . . . . . A 44 THR HG22 . 30561 1 458 . 1 . 1 44 44 THR HG23 H 1 1.121 0.02 . . . . . . A 44 THR HG23 . 30561 1 459 . 1 . 1 44 44 THR C C 13 171.943 . . . . . . . A 44 THR C . 30561 1 460 . 1 . 1 44 44 THR CA C 13 62.950 . . . . . . . A 44 THR CA . 30561 1 461 . 1 . 1 44 44 THR CB C 13 69.519 . . . . . . . A 44 THR CB . 30561 1 462 . 1 . 1 44 44 THR CG2 C 13 21.349 . . . . . . . A 44 THR CG2 . 30561 1 463 . 1 . 1 44 44 THR N N 15 121.141 . . . . . . . A 44 THR N . 30561 1 464 . 1 . 1 45 45 ASN H H 1 9.261 0.02 . . . . . . A 45 ASN H . 30561 1 465 . 1 . 1 45 45 ASN HA H 1 5.099 0.02 . . . . . . A 45 ASN HA . 30561 1 466 . 1 . 1 45 45 ASN HB2 H 1 2.933 0.02 . . . . . . A 45 ASN HB2 . 30561 1 467 . 1 . 1 45 45 ASN HB3 H 1 2.730 0.02 . . . . . . A 45 ASN HB3 . 30561 1 468 . 1 . 1 45 45 ASN HD21 H 1 7.582 0.02 . . . . . . A 45 ASN HD21 . 30561 1 469 . 1 . 1 45 45 ASN HD22 H 1 7.062 0.02 . . . . . . A 45 ASN HD22 . 30561 1 470 . 1 . 1 45 45 ASN CA C 13 54.108 . . . . . . . A 45 ASN CA . 30561 1 471 . 1 . 1 45 45 ASN CB C 13 38.207 . . . . . . . A 45 ASN CB . 30561 1 472 . 1 . 1 45 45 ASN N N 15 123.063 . . . . . . . A 45 ASN N . 30561 1 473 . 1 . 1 45 45 ASN ND2 N 15 110.816 . . . . . . . A 45 ASN ND2 . 30561 1 474 . 1 . 1 46 46 ARG HA H 1 4.668 0.02 . . . . . . A 46 ARG HA . 30561 1 475 . 1 . 1 46 46 ARG HB2 H 1 1.697 0.02 . . . . . . A 46 ARG HB2 . 30561 1 476 . 1 . 1 46 46 ARG HB3 H 1 1.904 0.02 . . . . . . A 46 ARG HB3 . 30561 1 477 . 1 . 1 46 46 ARG HG2 H 1 1.259 0.02 . . . . . . A 46 ARG HG2 . 30561 1 478 . 1 . 1 46 46 ARG HG3 H 1 1.620 0.02 . . . . . . A 46 ARG HG3 . 30561 1 479 . 1 . 1 46 46 ARG HD2 H 1 2.987 0.02 . . . . . . A 46 ARG HD2 . 30561 1 480 . 1 . 1 46 46 ARG HD3 H 1 2.851 0.02 . . . . . . A 46 ARG HD3 . 30561 1 481 . 1 . 1 46 46 ARG CA C 13 54.461 . . . . . . . A 46 ARG CA . 30561 1 482 . 1 . 1 46 46 ARG CB C 13 32.474 . . . . . . . A 46 ARG CB . 30561 1 483 . 1 . 1 46 46 ARG CG C 13 24.898 . . . . . . . A 46 ARG CG . 30561 1 484 . 1 . 1 46 46 ARG CD C 13 43.622 . . . . . . . A 46 ARG CD . 30561 1 485 . 1 . 1 47 47 CYS HA H 1 4.302 0.02 . . . . . . A 47 CYS HA . 30561 1 486 . 1 . 1 47 47 CYS HB2 H 1 1.365 0.02 . . . . . . A 47 CYS HB2 . 30561 1 487 . 1 . 1 47 47 CYS HB3 H 1 1.365 0.02 . . . . . . A 47 CYS HB3 . 30561 1 488 . 1 . 1 47 47 CYS CA C 13 52.379 . . . . . . . A 47 CYS CA . 30561 1 489 . 1 . 1 47 47 CYS CB C 13 19.189 . . . . . . . A 47 CYS CB . 30561 1 stop_ save_