################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 26001 _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 26001 1 3 '3D HNCO' 1 $sample_1 isotropic 26001 1 4 '3D HNCA' 1 $sample_1 isotropic 26001 1 5 '3D HNCACB' 1 $sample_1 isotropic 26001 1 8 '3D HCCH-TOCSY' 1 $sample_1 isotropic 26001 1 12 '3D 1H-15N NOESY' 1 $sample_1 isotropic 26001 1 13 '3D 1H-15N TOCSY' 1 $sample_1 isotropic 26001 1 17 HBCBCGCDHD 1 $sample_1 isotropic 26001 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 2 2 PHE H H 1 8.7 0.02 . 1 . . . . A 2 PHE H . 26001 1 2 . 1 . 1 2 2 PHE HA H 1 4.852 0.02 . 1 . . . . A 2 PHE HA . 26001 1 3 . 1 . 1 2 2 PHE HB2 H 1 3.132 0.02 . 2 . . . . A 2 PHE HB2 . 26001 1 4 . 1 . 1 2 2 PHE HB3 H 1 2.252 0.02 . 2 . . . . A 2 PHE HB3 . 26001 1 5 . 1 . 1 2 2 PHE HD1 H 1 7.227 0.02 . 1 . . . . A 2 PHE HD1 . 26001 1 6 . 1 . 1 2 2 PHE HD2 H 1 7.227 0.02 . 1 . . . . A 2 PHE HD2 . 26001 1 7 . 1 . 1 2 2 PHE HE1 H 1 7.165 0.02 . 1 . . . . A 2 PHE HE1 . 26001 1 8 . 1 . 1 2 2 PHE HE2 H 1 7.165 0.02 . 1 . . . . A 2 PHE HE2 . 26001 1 9 . 1 . 1 2 2 PHE C C 13 174.926 0.3 . 1 . . . . A 2 PHE C . 26001 1 10 . 1 . 1 2 2 PHE CA C 13 57.092 0.3 . 1 . . . . A 2 PHE CA . 26001 1 11 . 1 . 1 2 2 PHE CB C 13 42.335 0.3 . 1 . . . . A 2 PHE CB . 26001 1 12 . 1 . 1 2 2 PHE N N 15 120.327 0.3 . 1 . . . . A 2 PHE N . 26001 1 13 . 1 . 1 3 3 GLY H H 1 8.913 0.02 . 1 . . . . A 3 GLY H . 26001 1 14 . 1 . 1 3 3 GLY HA2 H 1 4.85 0.02 . 2 . . . . A 3 GLY HA2 . 26001 1 15 . 1 . 1 3 3 GLY HA3 H 1 3.892 0.02 . 2 . . . . A 3 GLY HA3 . 26001 1 16 . 1 . 1 3 3 GLY C C 13 173.443 0.3 . 1 . . . . A 3 GLY C . 26001 1 17 . 1 . 1 3 3 GLY CA C 13 44.114 0.3 . 1 . . . . A 3 GLY CA . 26001 1 18 . 1 . 1 3 3 GLY N N 15 110.104 0.3 . 1 . . . . A 3 GLY N . 26001 1 19 . 1 . 1 4 4 GLY H H 1 8.32 0.02 . 1 . . . . A 4 GLY H . 26001 1 20 . 1 . 1 4 4 GLY HA2 H 1 4.407 0.02 . 2 . . . . A 4 GLY HA2 . 26001 1 21 . 1 . 1 4 4 GLY HA3 H 1 4.266 0.02 . 2 . . . . A 4 GLY HA3 . 26001 1 22 . 1 . 1 4 4 GLY C C 13 173.779 0.3 . 1 . . . . A 4 GLY C . 26001 1 23 . 1 . 1 4 4 GLY CA C 13 45.746 0.3 . 1 . . . . A 4 GLY CA . 26001 1 24 . 1 . 1 4 4 GLY N N 15 109.968 0.3 . 1 . . . . A 4 GLY N . 26001 1 25 . 1 . 1 5 5 GLU H H 1 7.94 0.02 . 1 . . . . A 5 GLU H . 26001 1 26 . 1 . 1 5 5 GLU HA H 1 5.056 0.02 . 1 . . . . A 5 GLU HA . 26001 1 27 . 1 . 1 5 5 GLU HB2 H 1 1.761 0.02 . 2 . . . . A 5 GLU HB2 . 26001 1 28 . 1 . 1 5 5 GLU HB3 H 1 1.671 0.02 . 2 . . . . A 5 GLU HB3 . 26001 1 29 . 1 . 1 5 5 GLU HG2 H 1 2.201 0.02 . 2 . . . . A 5 GLU HG2 . 26001 1 30 . 1 . 1 5 5 GLU HG3 H 1 2.113 0.02 . 2 . . . . A 5 GLU HG3 . 26001 1 31 . 1 . 1 5 5 GLU C C 13 176.718 0.3 . 1 . . . . A 5 GLU C . 26001 1 32 . 1 . 1 5 5 GLU CA C 13 54.154 0.3 . 1 . . . . A 5 GLU CA . 26001 1 33 . 1 . 1 5 5 GLU CB C 13 33.486 0.3 . 1 . . . . A 5 GLU CB . 26001 1 34 . 1 . 1 5 5 GLU CG C 13 36.01 0.3 . 1 . . . . A 5 GLU CG . 26001 1 35 . 1 . 1 5 5 GLU N N 15 119.495 0.3 . 1 . . . . A 5 GLU N . 26001 1 36 . 1 . 1 6 6 CYS H H 1 9.551 0.02 . 1 . . . . A 6 CYS H . 26001 1 37 . 1 . 1 6 6 CYS HA H 1 6.28 0.02 . 1 . . . . A 6 CYS HA . 26001 1 38 . 1 . 1 6 6 CYS HB2 H 1 3.573 0.02 . 2 . . . . A 6 CYS HB2 . 26001 1 39 . 1 . 1 6 6 CYS HB3 H 1 2.866 0.02 . 2 . . . . A 6 CYS HB3 . 26001 1 40 . 1 . 1 6 6 CYS C C 13 172.128 0.3 . 1 . . . . A 6 CYS C . 26001 1 41 . 1 . 1 6 6 CYS CA C 13 53.015 0.3 . 1 . . . . A 6 CYS CA . 26001 1 42 . 1 . 1 6 6 CYS CB C 13 42.825 0.3 . 1 . . . . A 6 CYS CB . 26001 1 43 . 1 . 1 6 6 CYS N N 15 122.696 0.3 . 1 . . . . A 6 CYS N . 26001 1 44 . 1 . 1 7 7 SER H H 1 8.587 0.02 . 1 . . . . A 7 SER H . 26001 1 45 . 1 . 1 7 7 SER HA H 1 5.07 0.02 . 1 . . . . A 7 SER HA . 26001 1 46 . 1 . 1 7 7 SER HB2 H 1 4.003 0.02 . 2 . . . . A 7 SER HB2 . 26001 1 47 . 1 . 1 7 7 SER HB3 H 1 3.813 0.02 . 2 . . . . A 7 SER HB3 . 26001 1 48 . 1 . 1 7 7 SER C C 13 175.695 0.3 . 1 . . . . A 7 SER C . 26001 1 49 . 1 . 1 7 7 SER CA C 13 54.402 0.3 . 1 . . . . A 7 SER CA . 26001 1 50 . 1 . 1 7 7 SER CB C 13 64.365 0.3 . 1 . . . . A 7 SER CB . 26001 1 51 . 1 . 1 7 7 SER N N 15 115.277 0.3 . 1 . . . . A 7 SER N . 26001 1 52 . 1 . 1 8 8 LEU H H 1 9.017 0.02 . 1 . . . . A 8 LEU H . 26001 1 53 . 1 . 1 8 8 LEU HA H 1 3.645 0.02 . 1 . . . . A 8 LEU HA . 26001 1 54 . 1 . 1 8 8 LEU HB2 H 1 1.661 0.02 . 2 . . . . A 8 LEU HB2 . 26001 1 55 . 1 . 1 8 8 LEU HB3 H 1 1.056 0.02 . 2 . . . . A 8 LEU HB3 . 26001 1 56 . 1 . 1 8 8 LEU HG H 1 1.377 0.02 . 1 . . . . A 8 LEU HG . 26001 1 57 . 1 . 1 8 8 LEU HD11 H 1 0.8 0.02 . 2 . . . . A 8 LEU HD11 . 26001 1 58 . 1 . 1 8 8 LEU HD12 H 1 0.8 0.02 . 2 . . . . A 8 LEU HD12 . 26001 1 59 . 1 . 1 8 8 LEU HD13 H 1 0.8 0.02 . 2 . . . . A 8 LEU HD13 . 26001 1 60 . 1 . 1 8 8 LEU HD21 H 1 0.641 0.02 . 2 . . . . A 8 LEU HD21 . 26001 1 61 . 1 . 1 8 8 LEU HD22 H 1 0.641 0.02 . 2 . . . . A 8 LEU HD22 . 26001 1 62 . 1 . 1 8 8 LEU HD23 H 1 0.641 0.02 . 2 . . . . A 8 LEU HD23 . 26001 1 63 . 1 . 1 8 8 LEU CA C 13 57.751 0.3 . 1 . . . . A 8 LEU CA . 26001 1 64 . 1 . 1 8 8 LEU CB C 13 43.105 0.3 . 1 . . . . A 8 LEU CB . 26001 1 65 . 1 . 1 8 8 LEU CG C 13 25.886 0.3 . 1 . . . . A 8 LEU CG . 26001 1 66 . 1 . 1 8 8 LEU CD1 C 13 23.736 0.3 . 1 . . . . A 8 LEU CD1 . 26001 1 67 . 1 . 1 8 8 LEU CD2 C 13 23.736 0.3 . 1 . . . . A 8 LEU CD2 . 26001 1 68 . 1 . 1 8 8 LEU N N 15 133.387 0.3 . 1 . . . . A 8 LEU N . 26001 1 69 . 1 . 1 9 9 LYS H H 1 8.41 0.02 . 1 . . . . A 9 LYS H . 26001 1 70 . 1 . 1 9 9 LYS HA H 1 3.762 0.02 . 1 . . . . A 9 LYS HA . 26001 1 71 . 1 . 1 9 9 LYS HB2 H 1 1.496 0.02 . 2 . . . . A 9 LYS HB2 . 26001 1 72 . 1 . 1 9 9 LYS HB3 H 1 1.087 0.02 . 2 . . . . A 9 LYS HB3 . 26001 1 73 . 1 . 1 9 9 LYS HG2 H 1 0.943 0.02 . 2 . . . . A 9 LYS HG2 . 26001 1 74 . 1 . 1 9 9 LYS HG3 H 1 0.714 0.02 . 2 . . . . A 9 LYS HG3 . 26001 1 75 . 1 . 1 9 9 LYS HD2 H 1 1.406 0.02 . 1 . . . . A 9 LYS HD2 . 26001 1 76 . 1 . 1 9 9 LYS HD3 H 1 1.406 0.02 . 1 . . . . A 9 LYS HD3 . 26001 1 77 . 1 . 1 9 9 LYS HE2 H 1 2.756 0.02 . 1 . . . . A 9 LYS HE2 . 26001 1 78 . 1 . 1 9 9 LYS HE3 H 1 2.756 0.02 . 1 . . . . A 9 LYS HE3 . 26001 1 79 . 1 . 1 9 9 LYS C C 13 177.886 0.3 . 1 . . . . A 9 LYS C . 26001 1 80 . 1 . 1 9 9 LYS CA C 13 58.84 0.3 . 1 . . . . A 9 LYS CA . 26001 1 81 . 1 . 1 9 9 LYS CB C 13 32.614 0.3 . 1 . . . . A 9 LYS CB . 26001 1 82 . 1 . 1 9 9 LYS CG C 13 24.259 0.3 . 1 . . . . A 9 LYS CG . 26001 1 83 . 1 . 1 9 9 LYS CD C 13 29.024 0.3 . 1 . . . . A 9 LYS CD . 26001 1 84 . 1 . 1 9 9 LYS CE C 13 41.867 0.3 . 1 . . . . A 9 LYS CE . 26001 1 85 . 1 . 1 9 9 LYS N N 15 117.81 0.3 . 1 . . . . A 9 LYS N . 26001 1 86 . 1 . 1 10 10 HIS H H 1 7.551 0.02 . 1 . . . . A 10 HIS H . 26001 1 87 . 1 . 1 10 10 HIS HA H 1 4.618 0.02 . 1 . . . . A 10 HIS HA . 26001 1 88 . 1 . 1 10 10 HIS HB2 H 1 3.178 0.02 . 2 . . . . A 10 HIS HB2 . 26001 1 89 . 1 . 1 10 10 HIS HB3 H 1 2.756 0.02 . 2 . . . . A 10 HIS HB3 . 26001 1 90 . 1 . 1 10 10 HIS HD2 H 1 6.976 0.02 . 1 . . . . A 10 HIS HD2 . 26001 1 91 . 1 . 1 10 10 HIS C C 13 174.926 0.3 . 1 . . . . A 10 HIS C . 26001 1 92 . 1 . 1 10 10 HIS CA C 13 55.483 0.3 . 1 . . . . A 10 HIS CA . 26001 1 93 . 1 . 1 10 10 HIS CB C 13 31.076 0.3 . 1 . . . . A 10 HIS CB . 26001 1 94 . 1 . 1 10 10 HIS N N 15 112.191 0.3 . 1 . . . . A 10 HIS N . 26001 1 95 . 1 . 1 11 11 ASN H H 1 8.485 0.02 . 1 . . . . A 11 ASN H . 26001 1 96 . 1 . 1 11 11 ASN HA H 1 4.641 0.02 . 1 . . . . A 11 ASN HA . 26001 1 97 . 1 . 1 11 11 ASN HB2 H 1 3.287 0.02 . 2 . . . . A 11 ASN HB2 . 26001 1 98 . 1 . 1 11 11 ASN HB3 H 1 2.385 0.02 . 2 . . . . A 11 ASN HB3 . 26001 1 99 . 1 . 1 11 11 ASN HD21 H 1 7.094 0.02 . 1 . . . . A 11 ASN HD21 . 26001 1 100 . 1 . 1 11 11 ASN HD22 H 1 6.547 0.02 . 1 . . . . A 11 ASN HD22 . 26001 1 101 . 1 . 1 11 11 ASN C C 13 174.574 0.3 . 1 . . . . A 11 ASN C . 26001 1 102 . 1 . 1 11 11 ASN CA C 13 53.945 0.3 . 1 . . . . A 11 ASN CA . 26001 1 103 . 1 . 1 11 11 ASN CB C 13 37.16 0.3 . 1 . . . . A 11 ASN CB . 26001 1 104 . 1 . 1 11 11 ASN N N 15 119.867 0.3 . 1 . . . . A 11 ASN N . 26001 1 105 . 1 . 1 11 11 ASN ND2 N 15 109.356 0.3 . 1 . . . . A 11 ASN ND2 . 26001 1 106 . 1 . 1 12 12 THR H H 1 7.078 0.02 . 1 . . . . A 12 THR H . 26001 1 107 . 1 . 1 12 12 THR HA H 1 4.901 0.02 . 1 . . . . A 12 THR HA . 26001 1 108 . 1 . 1 12 12 THR HB H 1 3.96 0.02 . 1 . . . . A 12 THR HB . 26001 1 109 . 1 . 1 12 12 THR HG21 H 1 0.932 0.02 . 1 . . . . A 12 THR HG21 . 26001 1 110 . 1 . 1 12 12 THR HG22 H 1 0.932 0.02 . 1 . . . . A 12 THR HG22 . 26001 1 111 . 1 . 1 12 12 THR HG23 H 1 0.932 0.02 . 1 . . . . A 12 THR HG23 . 26001 1 112 . 1 . 1 12 12 THR CA C 13 58.351 0.3 . 1 . . . . A 12 THR CA . 26001 1 113 . 1 . 1 12 12 THR CB C 13 72.268 0.3 . 1 . . . . A 12 THR CB . 26001 1 114 . 1 . 1 12 12 THR CG2 C 13 21.121 0.3 . 1 . . . . A 12 THR CG2 . 26001 1 115 . 1 . 1 12 12 THR N N 15 104.205 0.3 . 1 . . . . A 12 THR N . 26001 1 116 . 1 . 1 13 13 CYS H H 1 9.563 0.02 . 1 . . . . A 13 CYS H . 26001 1 117 . 1 . 1 13 13 CYS HA H 1 4.731 0.02 . 1 . . . . A 13 CYS HA . 26001 1 118 . 1 . 1 13 13 CYS HB2 H 1 2.781 0.02 . 2 . . . . A 13 CYS HB2 . 26001 1 119 . 1 . 1 13 13 CYS HB3 H 1 2.622 0.02 . 2 . . . . A 13 CYS HB3 . 26001 1 120 . 1 . 1 13 13 CYS C C 13 173.275 0.3 . 1 . . . . A 13 CYS C . 26001 1 121 . 1 . 1 13 13 CYS CA C 13 53.595 0.3 . 1 . . . . A 13 CYS CA . 26001 1 122 . 1 . 1 13 13 CYS CB C 13 43.035 0.3 . 1 . . . . A 13 CYS CB . 26001 1 123 . 1 . 1 13 13 CYS N N 15 120.463 0.3 . 1 . . . . A 13 CYS N . 26001 1 124 . 1 . 1 14 14 THR H H 1 8.239 0.02 . 1 . . . . A 14 THR H . 26001 1 125 . 1 . 1 14 14 THR HA H 1 5.366 0.02 . 1 . . . . A 14 THR HA . 26001 1 126 . 1 . 1 14 14 THR HB H 1 3.948 0.02 . 1 . . . . A 14 THR HB . 26001 1 127 . 1 . 1 14 14 THR HG21 H 1 0.909 0.02 . 1 . . . . A 14 THR HG21 . 26001 1 128 . 1 . 1 14 14 THR HG22 H 1 0.909 0.02 . 1 . . . . A 14 THR HG22 . 26001 1 129 . 1 . 1 14 14 THR HG23 H 1 0.909 0.02 . 1 . . . . A 14 THR HG23 . 26001 1 130 . 1 . 1 14 14 THR C C 13 173.751 0.3 . 1 . . . . A 14 THR C . 26001 1 131 . 1 . 1 14 14 THR CA C 13 61.568 0.3 . 1 . . . . A 14 THR CA . 26001 1 132 . 1 . 1 14 14 THR CB C 13 69.324 0.3 . 1 . . . . A 14 THR CB . 26001 1 133 . 1 . 1 14 14 THR CG2 C 13 20.656 0.3 . 1 . . . . A 14 THR CG2 . 26001 1 134 . 1 . 1 14 14 THR N N 15 126.042 0.3 . 1 . . . . A 14 THR N . 26001 1 135 . 1 . 1 15 15 TYR H H 1 8.945 0.02 . 1 . . . . A 15 TYR H . 26001 1 136 . 1 . 1 15 15 TYR HA H 1 5.147 0.02 . 1 . . . . A 15 TYR HA . 26001 1 137 . 1 . 1 15 15 TYR HB2 H 1 2.834 0.02 . 2 . . . . A 15 TYR HB2 . 26001 1 138 . 1 . 1 15 15 TYR HB3 H 1 2.302 0.02 . 2 . . . . A 15 TYR HB3 . 26001 1 139 . 1 . 1 15 15 TYR HD1 H 1 6.409 0.02 . 1 . . . . A 15 TYR HD1 . 26001 1 140 . 1 . 1 15 15 TYR HD2 H 1 6.409 0.02 . 1 . . . . A 15 TYR HD2 . 26001 1 141 . 1 . 1 15 15 TYR HE1 H 1 5.741 0.02 . 1 . . . . A 15 TYR HE1 . 26001 1 142 . 1 . 1 15 15 TYR HE2 H 1 5.741 0.02 . 1 . . . . A 15 TYR HE2 . 26001 1 143 . 1 . 1 15 15 TYR C C 13 172.086 0.3 . 1 . . . . A 15 TYR C . 26001 1 144 . 1 . 1 15 15 TYR CA C 13 54.535 0.3 . 1 . . . . A 15 TYR CA . 26001 1 145 . 1 . 1 15 15 TYR CB C 13 41.806 0.3 . 1 . . . . A 15 TYR CB . 26001 1 146 . 1 . 1 15 15 TYR N N 15 125.458 0.3 . 1 . . . . A 15 TYR N . 26001 1 147 . 1 . 1 16 16 LEU H H 1 8.392 0.02 . 1 . . . . A 16 LEU H . 26001 1 148 . 1 . 1 16 16 LEU HA H 1 4.761 0.02 . 1 . . . . A 16 LEU HA . 26001 1 149 . 1 . 1 16 16 LEU HB2 H 1 1.577 0.02 . 1 . . . . A 16 LEU HB2 . 26001 1 150 . 1 . 1 16 16 LEU HB3 H 1 1.577 0.02 . 1 . . . . A 16 LEU HB3 . 26001 1 151 . 1 . 1 16 16 LEU HG H 1 1.449 0.02 . 1 . . . . A 16 LEU HG . 26001 1 152 . 1 . 1 16 16 LEU HD11 H 1 0.678 0.02 . 1 . . . . A 16 LEU HD11 . 26001 1 153 . 1 . 1 16 16 LEU HD12 H 1 0.678 0.02 . 1 . . . . A 16 LEU HD12 . 26001 1 154 . 1 . 1 16 16 LEU HD13 H 1 0.678 0.02 . 1 . . . . A 16 LEU HD13 . 26001 1 155 . 1 . 1 16 16 LEU HD21 H 1 0.678 0.02 . 1 . . . . A 16 LEU HD21 . 26001 1 156 . 1 . 1 16 16 LEU HD22 H 1 0.678 0.02 . 1 . . . . A 16 LEU HD22 . 26001 1 157 . 1 . 1 16 16 LEU HD23 H 1 0.678 0.02 . 1 . . . . A 16 LEU HD23 . 26001 1 158 . 1 . 1 16 16 LEU C C 13 177.01 0.3 . 1 . . . . A 16 LEU C . 26001 1 159 . 1 . 1 16 16 LEU CA C 13 53.827 0.3 . 1 . . . . A 16 LEU CA . 26001 1 160 . 1 . 1 16 16 LEU CB C 13 43.944 0.3 . 1 . . . . A 16 LEU CB . 26001 1 161 . 1 . 1 16 16 LEU CG C 13 27.242 0.3 . 1 . . . . A 16 LEU CG . 26001 1 162 . 1 . 1 16 16 LEU CD2 C 13 24.298 0.3 . 1 . . . . A 16 LEU CD2 . 26001 1 163 . 1 . 1 16 16 LEU N N 15 122.491 0.3 . 1 . . . . A 16 LEU N . 26001 1 164 . 1 . 1 17 17 LYS H H 1 8.566 0.02 . 1 . . . . A 17 LYS H . 26001 1 165 . 1 . 1 17 17 LYS HA H 1 4.403 0.02 . 1 . . . . A 17 LYS HA . 26001 1 166 . 1 . 1 17 17 LYS C C 13 177.143 0.3 . 1 . . . . A 17 LYS C . 26001 1 167 . 1 . 1 17 17 LYS CB C 13 34.843 0.3 . 1 . . . . A 17 LYS CB . 26001 1 168 . 1 . 1 17 17 LYS CD C 13 32.731 0.3 . 1 . . . . A 17 LYS CD . 26001 1 169 . 1 . 1 17 17 LYS CE C 13 41.662 0.3 . 1 . . . . A 17 LYS CE . 26001 1 170 . 1 . 1 17 17 LYS N N 15 123.953 0.3 . 1 . . . . A 17 LYS N . 26001 1 171 . 1 . 1 18 18 GLY HA2 H 1 3.897 0.02 . 2 . . . . A 18 GLY HA2 . 26001 1 172 . 1 . 1 18 18 GLY HA3 H 1 3.859 0.02 . 2 . . . . A 18 GLY HA3 . 26001 1 173 . 1 . 1 18 18 GLY CA C 13 47.104 0.3 . 1 . . . . A 18 GLY CA . 26001 1 174 . 1 . 1 19 19 GLY H H 1 8.626 0.02 . 1 . . . . A 19 GLY H . 26001 1 175 . 1 . 1 19 19 GLY HA2 H 1 4.076 0.02 . 2 . . . . A 19 GLY HA2 . 26001 1 176 . 1 . 1 19 19 GLY HA3 H 1 3.552 0.02 . 2 . . . . A 19 GLY HA3 . 26001 1 177 . 1 . 1 19 19 GLY C C 13 173.037 0.3 . 1 . . . . A 19 GLY C . 26001 1 178 . 1 . 1 19 19 GLY CA C 13 45.063 0.3 . 1 . . . . A 19 GLY CA . 26001 1 179 . 1 . 1 19 19 GLY N N 15 104.970 0.3 . 1 . . . . A 19 GLY N . 26001 1 180 . 1 . 1 20 20 LYS H H 1 7.518 0.02 . 1 . . . . A 20 LYS H . 26001 1 181 . 1 . 1 20 20 LYS HA H 1 4.503 0.02 . 1 . . . . A 20 LYS HA . 26001 1 182 . 1 . 1 20 20 LYS HB2 H 1 1.602 0.02 . 1 . . . . A 20 LYS HB2 . 26001 1 183 . 1 . 1 20 20 LYS HB3 H 1 1.602 0.02 . 1 . . . . A 20 LYS HB3 . 26001 1 184 . 1 . 1 20 20 LYS HG2 H 1 1.221 0.02 . 1 . . . . A 20 LYS HG2 . 26001 1 185 . 1 . 1 20 20 LYS HG3 H 1 1.221 0.02 . 1 . . . . A 20 LYS HG3 . 26001 1 186 . 1 . 1 20 20 LYS HD2 H 1 1.538 0.02 . 1 . . . . A 20 LYS HD2 . 26001 1 187 . 1 . 1 20 20 LYS HD3 H 1 1.538 0.02 . 1 . . . . A 20 LYS HD3 . 26001 1 188 . 1 . 1 20 20 LYS HE2 H 1 2.842 0.02 . 1 . . . . A 20 LYS HE2 . 26001 1 189 . 1 . 1 20 20 LYS HE3 H 1 2.842 0.02 . 1 . . . . A 20 LYS HE3 . 26001 1 190 . 1 . 1 20 20 LYS C C 13 174.844 0.3 . 1 . . . . A 20 LYS C . 26001 1 191 . 1 . 1 20 20 LYS CA C 13 53.735 0.3 . 1 . . . . A 20 LYS CA . 26001 1 192 . 1 . 1 20 20 LYS CB C 13 35.482 0.3 . 1 . . . . A 20 LYS CB . 26001 1 193 . 1 . 1 20 20 LYS CG C 13 24.303 0.3 . 1 . . . . A 20 LYS CG . 26001 1 194 . 1 . 1 20 20 LYS CD C 13 28.844 0.3 . 1 . . . . A 20 LYS CD . 26001 1 195 . 1 . 1 20 20 LYS CE C 13 39.079 0.3 . 1 . . . . A 20 LYS CE . 26001 1 196 . 1 . 1 20 20 LYS N N 15 119.34 0.3 . 1 . . . . A 20 LYS N . 26001 1 197 . 1 . 1 21 21 ASN H H 1 8.506 0.02 . 1 . . . . A 21 ASN H . 26001 1 198 . 1 . 1 21 21 ASN HA H 1 4.798 0.02 . 1 . . . . A 21 ASN HA . 26001 1 199 . 1 . 1 21 21 ASN HB2 H 1 2.393 0.02 . 2 . . . . A 21 ASN HB2 . 26001 1 200 . 1 . 1 21 21 ASN HB3 H 1 2.049 0.02 . 2 . . . . A 21 ASN HB3 . 26001 1 201 . 1 . 1 21 21 ASN HD21 H 1 7.068 0.02 . 1 . . . . A 21 ASN HD21 . 26001 1 202 . 1 . 1 21 21 ASN HD22 H 1 6.543 0.02 . 1 . . . . A 21 ASN HD22 . 26001 1 203 . 1 . 1 21 21 ASN C C 13 174.975 0.3 . 1 . . . . A 21 ASN C . 26001 1 204 . 1 . 1 21 21 ASN CA C 13 53.148 0.3 . 1 . . . . A 21 ASN CA . 26001 1 205 . 1 . 1 21 21 ASN CB C 13 39.188 0.3 . 1 . . . . A 21 ASN CB . 26001 1 206 . 1 . 1 21 21 ASN N N 15 121.641 0.3 . 1 . . . . A 21 ASN N . 26001 1 207 . 1 . 1 21 21 ASN ND2 N 15 110.287 0.3 . 1 . . . . A 21 ASN ND2 . 26001 1 208 . 1 . 1 22 22 HIS H H 1 8.824 0.02 . 1 . . . . A 22 HIS H . 26001 1 209 . 1 . 1 22 22 HIS HA H 1 4.218 0.02 . 1 . . . . A 22 HIS HA . 26001 1 210 . 1 . 1 22 22 HIS HB2 H 1 2.301 0.02 . 2 . . . . A 22 HIS HB2 . 26001 1 211 . 1 . 1 22 22 HIS HB3 H 1 1.245 0.02 . 2 . . . . A 22 HIS HB3 . 26001 1 212 . 1 . 1 22 22 HIS HD2 H 1 6.749 0.02 . 1 . . . . A 22 HIS HD2 . 26001 1 213 . 1 . 1 22 22 HIS C C 13 172.072 0.3 . 1 . . . . A 22 HIS C . 26001 1 214 . 1 . 1 22 22 HIS CA C 13 54.495 0.3 . 1 . . . . A 22 HIS CA . 26001 1 215 . 1 . 1 22 22 HIS CB C 13 31.285 0.3 . 1 . . . . A 22 HIS CB . 26001 1 216 . 1 . 1 22 22 HIS N N 15 123.154 0.3 . 1 . . . . A 22 HIS N . 26001 1 217 . 1 . 1 23 23 VAL H H 1 8.158 0.02 . 1 . . . . A 23 VAL H . 26001 1 218 . 1 . 1 23 23 VAL HA H 1 4.815 0.02 . 1 . . . . A 23 VAL HA . 26001 1 219 . 1 . 1 23 23 VAL HB H 1 1.662 0.02 . 1 . . . . A 23 VAL HB . 26001 1 220 . 1 . 1 23 23 VAL HG11 H 1 0.698 0.02 . 1 . . . . A 23 VAL HG11 . 26001 1 221 . 1 . 1 23 23 VAL HG12 H 1 0.698 0.02 . 1 . . . . A 23 VAL HG12 . 26001 1 222 . 1 . 1 23 23 VAL HG13 H 1 0.698 0.02 . 1 . . . . A 23 VAL HG13 . 26001 1 223 . 1 . 1 23 23 VAL HG21 H 1 0.698 0.02 . 1 . . . . A 23 VAL HG21 . 26001 1 224 . 1 . 1 23 23 VAL HG22 H 1 0.698 0.02 . 1 . . . . A 23 VAL HG22 . 26001 1 225 . 1 . 1 23 23 VAL HG23 H 1 0.698 0.02 . 1 . . . . A 23 VAL HG23 . 26001 1 226 . 1 . 1 23 23 VAL C C 13 175.785 0.3 . 1 . . . . A 23 VAL C . 26001 1 227 . 1 . 1 23 23 VAL CA C 13 61.218 0.3 . 1 . . . . A 23 VAL CA . 26001 1 228 . 1 . 1 23 23 VAL CB C 13 34.223 0.3 . 1 . . . . A 23 VAL CB . 26001 1 229 . 1 . 1 23 23 VAL CG1 C 13 20.845 0.3 . 1 . . . . A 23 VAL CG1 . 26001 1 230 . 1 . 1 23 23 VAL CG2 C 13 20.845 0.3 . 1 . . . . A 23 VAL CG2 . 26001 1 231 . 1 . 1 23 23 VAL N N 15 119.618 0.3 . 1 . . . . A 23 VAL N . 26001 1 232 . 1 . 1 24 24 VAL H H 1 8.575 0.02 . 1 . . . . A 24 VAL H . 26001 1 233 . 1 . 1 24 24 VAL HA H 1 4.516 0.02 . 1 . . . . A 24 VAL HA . 26001 1 234 . 1 . 1 24 24 VAL HB H 1 1.802 0.02 . 1 . . . . A 24 VAL HB . 26001 1 235 . 1 . 1 24 24 VAL HG11 H 1 0.465 0.02 . 2 . . . . A 24 VAL HG11 . 26001 1 236 . 1 . 1 24 24 VAL HG12 H 1 0.465 0.02 . 2 . . . . A 24 VAL HG12 . 26001 1 237 . 1 . 1 24 24 VAL HG13 H 1 0.465 0.02 . 2 . . . . A 24 VAL HG13 . 26001 1 238 . 1 . 1 24 24 VAL HG21 H 1 0.563 0.02 . 2 . . . . A 24 VAL HG21 . 26001 1 239 . 1 . 1 24 24 VAL HG22 H 1 0.563 0.02 . 2 . . . . A 24 VAL HG22 . 26001 1 240 . 1 . 1 24 24 VAL HG23 H 1 0.563 0.02 . 2 . . . . A 24 VAL HG23 . 26001 1 241 . 1 . 1 24 24 VAL C C 13 173.807 0.3 . 1 . . . . A 24 VAL C . 26001 1 242 . 1 . 1 24 24 VAL CA C 13 58.84 0.3 . 1 . . . . A 24 VAL CA . 26001 1 243 . 1 . 1 24 24 VAL CB C 13 35.482 0.3 . 1 . . . . A 24 VAL CB . 26001 1 244 . 1 . 1 24 24 VAL CG1 C 13 20.903 0.3 . 1 . . . . A 24 VAL CG1 . 26001 1 245 . 1 . 1 24 24 VAL CG2 C 13 19.731 0.3 . 1 . . . . A 24 VAL CG2 . 26001 1 246 . 1 . 1 24 24 VAL N N 15 122.935 0.3 . 1 . . . . A 24 VAL N . 26001 1 247 . 1 . 1 25 25 ASN H H 1 8.709 0.02 . 1 . . . . A 25 ASN H . 26001 1 248 . 1 . 1 25 25 ASN HA H 1 4.507 0.02 . 1 . . . . A 25 ASN HA . 26001 1 249 . 1 . 1 25 25 ASN HB2 H 1 2.806 0.02 . 2 . . . . A 25 ASN HB2 . 26001 1 250 . 1 . 1 25 25 ASN HB3 H 1 2.657 0.02 . 2 . . . . A 25 ASN HB3 . 26001 1 251 . 1 . 1 25 25 ASN HD21 H 1 6.99 0.02 . 1 . . . . A 25 ASN HD21 . 26001 1 252 . 1 . 1 25 25 ASN HD22 H 1 7.634 0.02 . 1 . . . . A 25 ASN HD22 . 26001 1 253 . 1 . 1 25 25 ASN C C 13 175.989 0.3 . 1 . . . . A 25 ASN C . 26001 1 254 . 1 . 1 25 25 ASN CA C 13 54.43 0.3 . 1 . . . . A 25 ASN CA . 26001 1 255 . 1 . 1 25 25 ASN CB C 13 39.079 0.3 . 1 . . . . A 25 ASN CB . 26001 1 256 . 1 . 1 25 25 ASN N N 15 124.245 0.3 . 1 . . . . A 25 ASN N . 26001 1 257 . 1 . 1 25 25 ASN ND2 N 15 113.081 0.3 . 1 . . . . A 25 ASN ND2 . 26001 1 258 . 1 . 1 26 26 CYS H H 1 8.646 0.02 . 1 . . . . A 26 CYS H . 26001 1 259 . 1 . 1 26 26 CYS HA H 1 4.167 0.02 . 1 . . . . A 26 CYS HA . 26001 1 260 . 1 . 1 26 26 CYS HB2 H 1 3.287 0.02 . 2 . . . . A 26 CYS HB2 . 26001 1 261 . 1 . 1 26 26 CYS HB3 H 1 3.054 0.02 . 2 . . . . A 26 CYS HB3 . 26001 1 262 . 1 . 1 26 26 CYS C C 13 174.408 0.3 . 1 . . . . A 26 CYS C . 26001 1 263 . 1 . 1 26 26 CYS CA C 13 58.84 0.3 . 1 . . . . A 26 CYS CA . 26001 1 264 . 1 . 1 26 26 CYS CB C 13 42.965 0.3 . 1 . . . . A 26 CYS CB . 26001 1 265 . 1 . 1 26 26 CYS N N 15 120.871 0.3 . 1 . . . . A 26 CYS N . 26001 1 266 . 1 . 1 27 27 GLY H H 1 7.829 0.02 . 1 . . . . A 27 GLY H . 26001 1 267 . 1 . 1 27 27 GLY HA2 H 1 4.184 0.02 . 2 . . . . A 27 GLY HA2 . 26001 1 268 . 1 . 1 27 27 GLY HA3 H 1 3.684 0.02 . 2 . . . . A 27 GLY HA3 . 26001 1 269 . 1 . 1 27 27 GLY C C 13 172.953 0.3 . 1 . . . . A 27 GLY C . 26001 1 270 . 1 . 1 27 27 GLY CA C 13 44.062 0.3 . 1 . . . . A 27 GLY CA . 26001 1 271 . 1 . 1 27 27 GLY N N 15 104.670 0.3 . 1 . . . . A 27 GLY N . 26001 1 272 . 1 . 1 28 28 SER H H 1 8.015 0.02 . 1 . . . . A 28 SER H . 26001 1 273 . 1 . 1 28 28 SER HA H 1 4.216 0.02 . 1 . . . . A 28 SER HA . 26001 1 274 . 1 . 1 28 28 SER HB2 H 1 3.857 0.02 . 2 . . . . A 28 SER HB2 . 26001 1 275 . 1 . 1 28 28 SER HB3 H 1 3.78 0.02 . 2 . . . . A 28 SER HB3 . 26001 1 276 . 1 . 1 28 28 SER C C 13 175.29 0.3 . 1 . . . . A 28 SER C . 26001 1 277 . 1 . 1 28 28 SER CA C 13 58.77 0.3 . 1 . . . . A 28 SER CA . 26001 1 278 . 1 . 1 28 28 SER CB C 13 64.225 0.3 . 1 . . . . A 28 SER CB . 26001 1 279 . 1 . 1 28 28 SER N N 15 112.612 0.3 . 1 . . . . A 28 SER N . 26001 1 280 . 1 . 1 29 29 ALA H H 1 7.881 0.02 . 1 . . . . A 29 ALA H . 26001 1 281 . 1 . 1 29 29 ALA HA H 1 4.178 0.02 . 1 . . . . A 29 ALA HA . 26001 1 282 . 1 . 1 29 29 ALA HB1 H 1 1.42 0.02 . 1 . . . . A 29 ALA HB1 . 26001 1 283 . 1 . 1 29 29 ALA HB2 H 1 1.42 0.02 . 1 . . . . A 29 ALA HB2 . 26001 1 284 . 1 . 1 29 29 ALA HB3 H 1 1.42 0.02 . 1 . . . . A 29 ALA HB3 . 26001 1 285 . 1 . 1 29 29 ALA C C 13 179.015 0.3 . 1 . . . . A 29 ALA C . 26001 1 286 . 1 . 1 29 29 ALA CA C 13 52.686 0.3 . 1 . . . . A 29 ALA CA . 26001 1 287 . 1 . 1 29 29 ALA CB C 13 19.357 0.3 . 1 . . . . A 29 ALA CB . 26001 1 288 . 1 . 1 29 29 ALA N N 15 124.22 0.3 . 1 . . . . A 29 ALA N . 26001 1 289 . 1 . 1 30 30 ALA H H 1 8.921 0.02 . 1 . . . . A 30 ALA H . 26001 1 290 . 1 . 1 30 30 ALA HA H 1 3.816 0.02 . 1 . . . . A 30 ALA HA . 26001 1 291 . 1 . 1 30 30 ALA HB1 H 1 1.392 0.02 . 1 . . . . A 30 ALA HB1 . 26001 1 292 . 1 . 1 30 30 ALA HB2 H 1 1.392 0.02 . 1 . . . . A 30 ALA HB2 . 26001 1 293 . 1 . 1 30 30 ALA HB3 H 1 1.392 0.02 . 1 . . . . A 30 ALA HB3 . 26001 1 294 . 1 . 1 30 30 ALA C C 13 178.455 0.3 . 1 . . . . A 30 ALA C . 26001 1 295 . 1 . 1 30 30 ALA CA C 13 55.553 0.3 . 1 . . . . A 30 ALA CA . 26001 1 296 . 1 . 1 30 30 ALA CB C 13 18.313 0.3 . 1 . . . . A 30 ALA CB . 26001 1 297 . 1 . 1 30 30 ALA N N 15 124.866 0.3 . 1 . . . . A 30 ALA N . 26001 1 298 . 1 . 1 31 31 ASN H H 1 8.081 0.02 . 1 . . . . A 31 ASN H . 26001 1 299 . 1 . 1 31 31 ASN HA H 1 4.633 0.02 . 1 . . . . A 31 ASN HA . 26001 1 300 . 1 . 1 31 31 ASN HB2 H 1 3.022 0.02 . 2 . . . . A 31 ASN HB2 . 26001 1 301 . 1 . 1 31 31 ASN HB3 H 1 2.675 0.02 . 2 . . . . A 31 ASN HB3 . 26001 1 302 . 1 . 1 31 31 ASN HD21 H 1 7.558 0.02 . 1 . . . . A 31 ASN HD21 . 26001 1 303 . 1 . 1 31 31 ASN HD22 H 1 6.644 0.02 . 1 . . . . A 31 ASN HD22 . 26001 1 304 . 1 . 1 31 31 ASN C C 13 173.82 0.3 . 1 . . . . A 31 ASN C . 26001 1 305 . 1 . 1 31 31 ASN CA C 13 52.759 0.3 . 1 . . . . A 31 ASN CA . 26001 1 306 . 1 . 1 31 31 ASN CB C 13 36.88 0.3 . 1 . . . . A 31 ASN CB . 26001 1 307 . 1 . 1 31 31 ASN N N 15 110.366 0.3 . 1 . . . . A 31 ASN N . 26001 1 308 . 1 . 1 31 31 ASN ND2 N 15 110.998 0.3 . 1 . . . . A 31 ASN ND2 . 26001 1 309 . 1 . 1 32 32 LYS H H 1 7.381 0.02 . 1 . . . . A 32 LYS H . 26001 1 310 . 1 . 1 32 32 LYS HA H 1 4.577 0.02 . 1 . . . . A 32 LYS HA . 26001 1 311 . 1 . 1 32 32 LYS HB2 H 1 1.553 0.02 . 2 . . . . A 32 LYS HB2 . 26001 1 312 . 1 . 1 32 32 LYS HB3 H 1 2.057 0.02 . 2 . . . . A 32 LYS HB3 . 26001 1 313 . 1 . 1 32 32 LYS HG2 H 1 1.207 0.02 . 1 . . . . A 32 LYS HG2 . 26001 1 314 . 1 . 1 32 32 LYS HG3 H 1 1.207 0.02 . 1 . . . . A 32 LYS HG3 . 26001 1 315 . 1 . 1 32 32 LYS HD2 H 1 1.686 0.02 . 1 . . . . A 32 LYS HD2 . 26001 1 316 . 1 . 1 32 32 LYS HD3 H 1 1.686 0.02 . 1 . . . . A 32 LYS HD3 . 26001 1 317 . 1 . 1 32 32 LYS C C 13 176.493 0.3 . 1 . . . . A 32 LYS C . 26001 1 318 . 1 . 1 32 32 LYS CA C 13 54.784 0.3 . 1 . . . . A 32 LYS CA . 26001 1 319 . 1 . 1 32 32 LYS CB C 13 34.852 0.3 . 1 . . . . A 32 LYS CB . 26001 1 320 . 1 . 1 32 32 LYS CG C 13 23.678 0.3 . 1 . . . . A 32 LYS CG . 26001 1 321 . 1 . 1 32 32 LYS CD C 13 28.966 0.3 . 1 . . . . A 32 LYS CD . 26001 1 322 . 1 . 1 32 32 LYS CE C 13 41.867 0.3 . 1 . . . . A 32 LYS CE . 26001 1 323 . 1 . 1 32 32 LYS N N 15 116.291 0.3 . 1 . . . . A 32 LYS N . 26001 1 324 . 1 . 1 33 33 LYS H H 1 7.215 0.02 . 1 . . . . A 33 LYS H . 26001 1 325 . 1 . 1 33 33 LYS HA H 1 4.392 0.02 . 1 . . . . A 33 LYS HA . 26001 1 326 . 1 . 1 33 33 LYS HB2 H 1 1.759 0.02 . 2 . . . . A 33 LYS HB2 . 26001 1 327 . 1 . 1 33 33 LYS HB3 H 1 1.647 0.02 . 2 . . . . A 33 LYS HB3 . 26001 1 328 . 1 . 1 33 33 LYS HG2 H 1 1.289 0.02 . 1 . . . . A 33 LYS HG2 . 26001 1 329 . 1 . 1 33 33 LYS HG3 H 1 1.289 0.02 . 1 . . . . A 33 LYS HG3 . 26001 1 330 . 1 . 1 33 33 LYS HD2 H 1 2.067 0.02 . 2 . . . . A 33 LYS HD2 . 26001 1 331 . 1 . 1 33 33 LYS HD3 H 1 1.837 0.02 . 2 . . . . A 33 LYS HD3 . 26001 1 332 . 1 . 1 33 33 LYS HE2 H 1 3.729 0.02 . 1 . . . . A 33 LYS HE2 . 26001 1 333 . 1 . 1 33 33 LYS HE3 H 1 3.729 0.02 . 1 . . . . A 33 LYS HE3 . 26001 1 334 . 1 . 1 33 33 LYS C C 13 174.926 0.3 . 1 . . . . A 33 LYS C . 26001 1 335 . 1 . 1 33 33 LYS CA C 13 56.043 0.3 . 1 . . . . A 33 LYS CA . 26001 1 336 . 1 . 1 33 33 LYS CB C 13 32.824 0.3 . 1 . . . . A 33 LYS CB . 26001 1 337 . 1 . 1 33 33 LYS CG C 13 24.608 0.3 . 1 . . . . A 33 LYS CG . 26001 1 338 . 1 . 1 33 33 LYS CD C 13 29.441 0.3 . 1 . . . . A 33 LYS CD . 26001 1 339 . 1 . 1 33 33 LYS N N 15 116.091 0.3 . 1 . . . . A 33 LYS N . 26001 1 340 . 1 . 1 34 34 CYS H H 1 8.896 0.02 . 1 . . . . A 34 CYS H . 26001 1 341 . 1 . 1 34 34 CYS HA H 1 4.26 0.02 . 1 . . . . A 34 CYS HA . 26001 1 342 . 1 . 1 34 34 CYS HB2 H 1 3.41 0.02 . 2 . . . . A 34 CYS HB2 . 26001 1 343 . 1 . 1 34 34 CYS HB3 H 1 3.02 0.02 . 2 . . . . A 34 CYS HB3 . 26001 1 344 . 1 . 1 34 34 CYS C C 13 174.507 0.3 . 1 . . . . A 34 CYS C . 26001 1 345 . 1 . 1 34 34 CYS CA C 13 56.178 0.3 . 1 . . . . A 34 CYS CA . 26001 1 346 . 1 . 1 34 34 CYS CB C 13 38.187 0.3 . 1 . . . . A 34 CYS CB . 26001 1 347 . 1 . 1 34 34 CYS N N 15 118.766 0.3 . 1 . . . . A 34 CYS N . 26001 1 348 . 1 . 1 35 35 LYS H H 1 9.487 0.02 . 1 . . . . A 35 LYS H . 26001 1 349 . 1 . 1 35 35 LYS HA H 1 4.267 0.02 . 1 . . . . A 35 LYS HA . 26001 1 350 . 1 . 1 35 35 LYS HB2 H 1 1.607 0.02 . 2 . . . . A 35 LYS HB2 . 26001 1 351 . 1 . 1 35 35 LYS HB3 H 1 1.488 0.02 . 2 . . . . A 35 LYS HB3 . 26001 1 352 . 1 . 1 35 35 LYS HG2 H 1 1.32 0.02 . 2 . . . . A 35 LYS HG2 . 26001 1 353 . 1 . 1 35 35 LYS HG3 H 1 1.218 0.02 . 2 . . . . A 35 LYS HG3 . 26001 1 354 . 1 . 1 35 35 LYS HD2 H 1 2.062 0.02 . 2 . . . . A 35 LYS HD2 . 26001 1 355 . 1 . 1 35 35 LYS HD3 H 1 1.844 0.02 . 2 . . . . A 35 LYS HD3 . 26001 1 356 . 1 . 1 35 35 LYS C C 13 175.855 0.3 . 1 . . . . A 35 LYS C . 26001 1 357 . 1 . 1 35 35 LYS CA C 13 56.209 0.3 . 1 . . . . A 35 LYS CA . 26001 1 358 . 1 . 1 35 35 LYS CB C 13 34.223 0.3 . 1 . . . . A 35 LYS CB . 26001 1 359 . 1 . 1 35 35 LYS CG C 13 25.073 0.3 . 1 . . . . A 35 LYS CG . 26001 1 360 . 1 . 1 35 35 LYS CD C 13 29.198 0.3 . 1 . . . . A 35 LYS CD . 26001 1 361 . 1 . 1 35 35 LYS CE C 13 38.089 0.3 . 1 . . . . A 35 LYS CE . 26001 1 362 . 1 . 1 35 35 LYS N N 15 129.516 0.3 . 1 . . . . A 35 LYS N . 26001 1 363 . 1 . 1 36 36 SER H H 1 7.388 0.02 . 1 . . . . A 36 SER H . 26001 1 364 . 1 . 1 36 36 SER HA H 1 4.477 0.02 . 1 . . . . A 36 SER HA . 26001 1 365 . 1 . 1 36 36 SER HB2 H 1 3.662 0.02 . 1 . . . . A 36 SER HB2 . 26001 1 366 . 1 . 1 36 36 SER HB3 H 1 3.662 0.02 . 1 . . . . A 36 SER HB3 . 26001 1 367 . 1 . 1 36 36 SER C C 13 172.59 0.3 . 1 . . . . A 36 SER C . 26001 1 368 . 1 . 1 36 36 SER CA C 13 56.409 0.3 . 1 . . . . A 36 SER CA . 26001 1 369 . 1 . 1 36 36 SER CB C 13 64.225 0.3 . 1 . . . . A 36 SER CB . 26001 1 370 . 1 . 1 36 36 SER N N 15 114.822 0.3 . 1 . . . . A 36 SER N . 26001 1 371 . 1 . 1 37 37 ASP H H 1 9.085 0.02 . 1 . . . . A 37 ASP H . 26001 1 372 . 1 . 1 37 37 ASP HA H 1 4.346 0.02 . 1 . . . . A 37 ASP HA . 26001 1 373 . 1 . 1 37 37 ASP HB2 H 1 2.549 0.02 . 1 . . . . A 37 ASP HB2 . 26001 1 374 . 1 . 1 37 37 ASP HB3 H 1 2.549 0.02 . 1 . . . . A 37 ASP HB3 . 26001 1 375 . 1 . 1 37 37 ASP C C 13 177.15 0.3 . 1 . . . . A 37 ASP C . 26001 1 376 . 1 . 1 37 37 ASP CA C 13 57.358 0.3 . 1 . . . . A 37 ASP CA . 26001 1 377 . 1 . 1 37 37 ASP CB C 13 41.146 0.3 . 1 . . . . A 37 ASP CB . 26001 1 378 . 1 . 1 37 37 ASP N N 15 124.914 0.3 . 1 . . . . A 37 ASP N . 26001 1 379 . 1 . 1 38 38 ARG H H 1 8.895 0.02 . 1 . . . . A 38 ARG H . 26001 1 380 . 1 . 1 38 38 ARG HA H 1 3.939 0.02 . 1 . . . . A 38 ARG HA . 26001 1 381 . 1 . 1 38 38 ARG HB2 H 1 2.07 0.02 . 1 . . . . A 38 ARG HB2 . 26001 1 382 . 1 . 1 38 38 ARG HB3 H 1 2.07 0.02 . 1 . . . . A 38 ARG HB3 . 26001 1 383 . 1 . 1 38 38 ARG HG2 H 1 1.559 0.02 . 2 . . . . A 38 ARG HG2 . 26001 1 384 . 1 . 1 38 38 ARG HG3 H 1 1.453 0.02 . 2 . . . . A 38 ARG HG3 . 26001 1 385 . 1 . 1 38 38 ARG HD2 H 1 3.179 0.02 . 2 . . . . A 38 ARG HD2 . 26001 1 386 . 1 . 1 38 38 ARG HD3 H 1 3.105 0.02 . 2 . . . . A 38 ARG HD3 . 26001 1 387 . 1 . 1 38 38 ARG C C 13 176.255 0.3 . 1 . . . . A 38 ARG C . 26001 1 388 . 1 . 1 38 38 ARG CA C 13 58.264 0.3 . 1 . . . . A 38 ARG CA . 26001 1 389 . 1 . 1 38 38 ARG CB C 13 26.518 0.3 . 1 . . . . A 38 ARG CB . 26001 1 390 . 1 . 1 38 38 ARG CG C 13 27.397 0.3 . 1 . . . . A 38 ARG CG . 26001 1 391 . 1 . 1 38 38 ARG CD C 13 43.261 0.3 . 1 . . . . A 38 ARG CD . 26001 1 392 . 1 . 1 38 38 ARG N N 15 118.605 0.3 . 1 . . . . A 38 ARG N . 26001 1 393 . 1 . 1 39 39 HIS H H 1 8.042 0.02 . 1 . . . . A 39 HIS H . 26001 1 394 . 1 . 1 39 39 HIS HA H 1 4.046 0.02 . 1 . . . . A 39 HIS HA . 26001 1 395 . 1 . 1 39 39 HIS HB2 H 1 3.595 0.02 . 2 . . . . A 39 HIS HB2 . 26001 1 396 . 1 . 1 39 39 HIS HB3 H 1 3.432 0.02 . 2 . . . . A 39 HIS HB3 . 26001 1 397 . 1 . 1 39 39 HIS HD2 H 1 7.114 0.02 . 1 . . . . A 39 HIS HD2 . 26001 1 398 . 1 . 1 39 39 HIS C C 13 175.129 0.3 . 1 . . . . A 39 HIS C . 26001 1 399 . 1 . 1 39 39 HIS CA C 13 57.936 0.3 . 1 . . . . A 39 HIS CA . 26001 1 400 . 1 . 1 39 39 HIS CB C 13 28.908 0.3 . 1 . . . . A 39 HIS CB . 26001 1 401 . 1 . 1 39 39 HIS N N 15 119.136 0.3 . 1 . . . . A 39 HIS N . 26001 1 402 . 1 . 1 40 40 HIS H H 1 8.643 0.02 . 1 . . . . A 40 HIS H . 26001 1 403 . 1 . 1 40 40 HIS HA H 1 4.868 0.02 . 1 . . . . A 40 HIS HA . 26001 1 404 . 1 . 1 40 40 HIS HB2 H 1 3.071 0.02 . 2 . . . . A 40 HIS HB2 . 26001 1 405 . 1 . 1 40 40 HIS HB3 H 1 2.848 0.02 . 2 . . . . A 40 HIS HB3 . 26001 1 406 . 1 . 1 40 40 HIS HD2 H 1 7.281 0.02 . 1 . . . . A 40 HIS HD2 . 26001 1 407 . 1 . 1 40 40 HIS C C 13 174.212 0.3 . 1 . . . . A 40 HIS C . 26001 1 408 . 1 . 1 40 40 HIS CA C 13 57.09 0.3 . 1 . . . . A 40 HIS CA . 26001 1 409 . 1 . 1 40 40 HIS CB C 13 28.572 0.3 . 1 . . . . A 40 HIS CB . 26001 1 410 . 1 . 1 40 40 HIS N N 15 124.543 0.3 . 1 . . . . A 40 HIS N . 26001 1 411 . 1 . 1 41 41 CYS H H 1 7.966 0.02 . 1 . . . . A 41 CYS H . 26001 1 412 . 1 . 1 41 41 CYS HA H 1 5.344 0.02 . 1 . . . . A 41 CYS HA . 26001 1 413 . 1 . 1 41 41 CYS HB2 H 1 3.271 0.02 . 2 . . . . A 41 CYS HB2 . 26001 1 414 . 1 . 1 41 41 CYS HB3 H 1 2.904 0.02 . 2 . . . . A 41 CYS HB3 . 26001 1 415 . 1 . 1 41 41 CYS CA C 13 53.209 0.3 . 1 . . . . A 41 CYS CA . 26001 1 416 . 1 . 1 41 41 CYS N N 15 119.779 0.3 . 1 . . . . A 41 CYS N . 26001 1 417 . 1 . 1 42 42 GLU H H 1 8.341 0.02 . 1 . . . . A 42 GLU H . 26001 1 418 . 1 . 1 42 42 GLU HA H 1 5.254 0.02 . 1 . . . . A 42 GLU HA . 26001 1 419 . 1 . 1 42 42 GLU HB2 H 1 1.763 0.02 . 1 . . . . A 42 GLU HB2 . 26001 1 420 . 1 . 1 42 42 GLU HB3 H 1 1.763 0.02 . 1 . . . . A 42 GLU HB3 . 26001 1 421 . 1 . 1 42 42 GLU HG2 H 1 2.079 0.02 . 1 . . . . A 42 GLU HG2 . 26001 1 422 . 1 . 1 42 42 GLU HG3 H 1 2.079 0.02 . 1 . . . . A 42 GLU HG3 . 26001 1 423 . 1 . 1 42 42 GLU C C 13 173.961 0.3 . 1 . . . . A 42 GLU C . 26001 1 424 . 1 . 1 42 42 GLU CA C 13 54.108 0.3 . 1 . . . . A 42 GLU CA . 26001 1 425 . 1 . 1 42 42 GLU CB C 13 34.852 0.3 . 1 . . . . A 42 GLU CB . 26001 1 426 . 1 . 1 42 42 GLU CG C 13 36.579 0.3 . 1 . . . . A 42 GLU CG . 26001 1 427 . 1 . 1 42 42 GLU N N 15 116.823 0.3 . 1 . . . . A 42 GLU N . 26001 1 428 . 1 . 1 43 43 TYR H H 1 8.869 0.02 . 1 . . . . A 43 TYR H . 26001 1 429 . 1 . 1 43 43 TYR HA H 1 5.101 0.02 . 1 . . . . A 43 TYR HA . 26001 1 430 . 1 . 1 43 43 TYR HB2 H 1 2.19 0.02 . 2 . . . . A 43 TYR HB2 . 26001 1 431 . 1 . 1 43 43 TYR HB3 H 1 1.981 0.02 . 2 . . . . A 43 TYR HB3 . 26001 1 432 . 1 . 1 43 43 TYR HD1 H 1 6.51 0.02 . 3 . . . . A 43 TYR HD1 . 26001 1 433 . 1 . 1 43 43 TYR HD2 H 1 6.523 0.02 . 3 . . . . A 43 TYR HD2 . 26001 1 434 . 1 . 1 43 43 TYR C C 13 173.093 0.3 . 1 . . . . A 43 TYR C . 26001 1 435 . 1 . 1 43 43 TYR CA C 13 55.094 0.3 . 1 . . . . A 43 TYR CA . 26001 1 436 . 1 . 1 43 43 TYR CB C 13 41.477 0.3 . 1 . . . . A 43 TYR CB . 26001 1 437 . 1 . 1 43 43 TYR N N 15 122.033 0.3 . 1 . . . . A 43 TYR N . 26001 1 438 . 1 . 1 44 44 ASP H H 1 8.398 0.02 . 1 . . . . A 44 ASP H . 26001 1 439 . 1 . 1 44 44 ASP HA H 1 4.469 0.02 . 1 . . . . A 44 ASP HA . 26001 1 440 . 1 . 1 44 44 ASP HB2 H 1 2.74 0.02 . 2 . . . . A 44 ASP HB2 . 26001 1 441 . 1 . 1 44 44 ASP HB3 H 1 2.351 0.02 . 2 . . . . A 44 ASP HB3 . 26001 1 442 . 1 . 1 44 44 ASP C C 13 175.108 0.3 . 1 . . . . A 44 ASP C . 26001 1 443 . 1 . 1 44 44 ASP CA C 13 51.497 0.3 . 1 . . . . A 44 ASP CA . 26001 1 444 . 1 . 1 44 44 ASP CB C 13 41.947 0.3 . 1 . . . . A 44 ASP CB . 26001 1 445 . 1 . 1 44 44 ASP N N 15 127.671 0.3 . 1 . . . . A 44 ASP N . 26001 1 446 . 1 . 1 45 45 GLU H H 1 8.761 0.02 . 1 . . . . A 45 GLU H . 26001 1 447 . 1 . 1 45 45 GLU HA H 1 3.488 0.02 . 1 . . . . A 45 GLU HA . 26001 1 448 . 1 . 1 45 45 GLU HB2 H 1 1.832 0.02 . 1 . . . . A 45 GLU HB2 . 26001 1 449 . 1 . 1 45 45 GLU HB3 H 1 1.832 0.02 . 1 . . . . A 45 GLU HB3 . 26001 1 450 . 1 . 1 45 45 GLU HG2 H 1 2.177 0.02 . 1 . . . . A 45 GLU HG2 . 26001 1 451 . 1 . 1 45 45 GLU HG3 H 1 2.177 0.02 . 1 . . . . A 45 GLU HG3 . 26001 1 452 . 1 . 1 45 45 GLU C C 13 177.241 0.3 . 1 . . . . A 45 GLU C . 26001 1 453 . 1 . 1 45 45 GLU CA C 13 57.913 0.3 . 1 . . . . A 45 GLU CA . 26001 1 454 . 1 . 1 45 45 GLU CB C 13 29.486 0.3 . 1 . . . . A 45 GLU CB . 26001 1 455 . 1 . 1 45 45 GLU CG C 13 35.707 0.3 . 1 . . . . A 45 GLU CG . 26001 1 456 . 1 . 1 45 45 GLU N N 15 125.514 0.3 . 1 . . . . A 45 GLU N . 26001 1 457 . 1 . 1 46 46 HIS H H 1 7.966 0.02 . 1 . . . . A 46 HIS H . 26001 1 458 . 1 . 1 46 46 HIS HA H 1 4.234 0.02 . 1 . . . . A 46 HIS HA . 26001 1 459 . 1 . 1 46 46 HIS HB2 H 1 2.906 0.02 . 2 . . . . A 46 HIS HB2 . 26001 1 460 . 1 . 1 46 46 HIS HB3 H 1 2.826 0.02 . 2 . . . . A 46 HIS HB3 . 26001 1 461 . 1 . 1 46 46 HIS HD2 H 1 6.463 0.02 . 1 . . . . A 46 HIS HD2 . 26001 1 462 . 1 . 1 46 46 HIS C C 13 176.224 0.3 . 1 . . . . A 46 HIS C . 26001 1 463 . 1 . 1 46 46 HIS CA C 13 57.879 0.3 . 1 . . . . A 46 HIS CA . 26001 1 464 . 1 . 1 46 46 HIS CB C 13 29.067 0.3 . 1 . . . . A 46 HIS CB . 26001 1 465 . 1 . 1 46 46 HIS N N 15 118.871 0.3 . 1 . . . . A 46 HIS N . 26001 1 466 . 1 . 1 47 47 HIS H H 1 7.413 0.02 . 1 . . . . A 47 HIS H . 26001 1 467 . 1 . 1 47 47 HIS HA H 1 4.471 0.02 . 1 . . . . A 47 HIS HA . 26001 1 468 . 1 . 1 47 47 HIS HB2 H 1 3.238 0.02 . 2 . . . . A 47 HIS HB2 . 26001 1 469 . 1 . 1 47 47 HIS HB3 H 1 2.407 0.02 . 2 . . . . A 47 HIS HB3 . 26001 1 470 . 1 . 1 47 47 HIS HD2 H 1 7.183 0.02 . 1 . . . . A 47 HIS HD2 . 26001 1 471 . 1 . 1 47 47 HIS C C 13 173.023 0.3 . 1 . . . . A 47 HIS C . 26001 1 472 . 1 . 1 47 47 HIS CA C 13 55.693 0.3 . 1 . . . . A 47 HIS CA . 26001 1 473 . 1 . 1 47 47 HIS CB C 13 29.252 0.3 . 1 . . . . A 47 HIS CB . 26001 1 474 . 1 . 1 47 47 HIS N N 15 113.384 0.3 . 1 . . . . A 47 HIS N . 26001 1 475 . 1 . 1 48 48 LYS H H 1 7.616 0.02 . 1 . . . . A 48 LYS H . 26001 1 476 . 1 . 1 48 48 LYS HA H 1 3.716 0.02 . 1 . . . . A 48 LYS HA . 26001 1 477 . 1 . 1 48 48 LYS HB2 H 1 2.031 0.02 . 2 . . . . A 48 LYS HB2 . 26001 1 478 . 1 . 1 48 48 LYS HB3 H 1 1.82 0.02 . 2 . . . . A 48 LYS HB3 . 26001 1 479 . 1 . 1 48 48 LYS HG2 H 1 1.261 0.02 . 1 . . . . A 48 LYS HG2 . 26001 1 480 . 1 . 1 48 48 LYS HG3 H 1 1.261 0.02 . 1 . . . . A 48 LYS HG3 . 26001 1 481 . 1 . 1 48 48 LYS HD2 H 1 1.643 0.02 . 1 . . . . A 48 LYS HD2 . 26001 1 482 . 1 . 1 48 48 LYS HD3 H 1 1.643 0.02 . 1 . . . . A 48 LYS HD3 . 26001 1 483 . 1 . 1 48 48 LYS HE2 H 1 2.956 0.02 . 1 . . . . A 48 LYS HE2 . 26001 1 484 . 1 . 1 48 48 LYS HE3 H 1 2.956 0.02 . 1 . . . . A 48 LYS HE3 . 26001 1 485 . 1 . 1 48 48 LYS C C 13 175.029 0.3 . 1 . . . . A 48 LYS C . 26001 1 486 . 1 . 1 48 48 LYS CA C 13 57.092 0.3 . 1 . . . . A 48 LYS CA . 26001 1 487 . 1 . 1 48 48 LYS CB C 13 29.044 0.3 . 1 . . . . A 48 LYS CB . 26001 1 488 . 1 . 1 48 48 LYS CG C 13 24.782 0.3 . 1 . . . . A 48 LYS CG . 26001 1 489 . 1 . 1 48 48 LYS CD C 13 29.379 0.3 . 1 . . . . A 48 LYS CD . 26001 1 490 . 1 . 1 48 48 LYS CE C 13 42.39 0.3 . 1 . . . . A 48 LYS CE . 26001 1 491 . 1 . 1 48 48 LYS N N 15 118.306 0.3 . 1 . . . . A 48 LYS N . 26001 1 492 . 1 . 1 49 49 ARG H H 1 7.392 0.02 . 1 . . . . A 49 ARG H . 26001 1 493 . 1 . 1 49 49 ARG HA H 1 4.787 0.02 . 1 . . . . A 49 ARG HA . 26001 1 494 . 1 . 1 49 49 ARG HB2 H 1 1.705 0.02 . 1 . . . . A 49 ARG HB2 . 26001 1 495 . 1 . 1 49 49 ARG HB3 H 1 1.705 0.02 . 1 . . . . A 49 ARG HB3 . 26001 1 496 . 1 . 1 49 49 ARG HG2 H 1 1.529 0.02 . 1 . . . . A 49 ARG HG2 . 26001 1 497 . 1 . 1 49 49 ARG HG3 H 1 1.529 0.02 . 1 . . . . A 49 ARG HG3 . 26001 1 498 . 1 . 1 49 49 ARG HD2 H 1 3.176 0.02 . 2 . . . . A 49 ARG HD2 . 26001 1 499 . 1 . 1 49 49 ARG HD3 H 1 3.091 0.02 . 2 . . . . A 49 ARG HD3 . 26001 1 500 . 1 . 1 49 49 ARG C C 13 174.111 0.3 . 1 . . . . A 49 ARG C . 26001 1 501 . 1 . 1 49 49 ARG CA C 13 54.714 0.3 . 1 . . . . A 49 ARG CA . 26001 1 502 . 1 . 1 49 49 ARG CB C 13 34.153 0.3 . 1 . . . . A 49 ARG CB . 26001 1 503 . 1 . 1 49 49 ARG CG C 13 27.223 0.3 . 1 . . . . A 49 ARG CG . 26001 1 504 . 1 . 1 49 49 ARG CD C 13 43.436 0.3 . 1 . . . . A 49 ARG CD . 26001 1 505 . 1 . 1 49 49 ARG N N 15 117.344 0.3 . 1 . . . . A 49 ARG N . 26001 1 506 . 1 . 1 50 50 VAL H H 1 8.784 0.02 . 1 . . . . A 50 VAL H . 26001 1 507 . 1 . 1 50 50 VAL HA H 1 5.04 0.02 . 1 . . . . A 50 VAL HA . 26001 1 508 . 1 . 1 50 50 VAL HB H 1 2.009 0.02 . 1 . . . . A 50 VAL HB . 26001 1 509 . 1 . 1 50 50 VAL HG11 H 1 0.959 0.02 . 2 . . . . A 50 VAL HG11 . 26001 1 510 . 1 . 1 50 50 VAL HG12 H 1 0.959 0.02 . 2 . . . . A 50 VAL HG12 . 26001 1 511 . 1 . 1 50 50 VAL HG13 H 1 0.959 0.02 . 2 . . . . A 50 VAL HG13 . 26001 1 512 . 1 . 1 50 50 VAL HG21 H 1 1.025 0.02 . 2 . . . . A 50 VAL HG21 . 26001 1 513 . 1 . 1 50 50 VAL HG22 H 1 1.025 0.02 . 2 . . . . A 50 VAL HG22 . 26001 1 514 . 1 . 1 50 50 VAL HG23 H 1 1.025 0.02 . 2 . . . . A 50 VAL HG23 . 26001 1 515 . 1 . 1 50 50 VAL C C 13 173.721 0.3 . 1 . . . . A 50 VAL C . 26001 1 516 . 1 . 1 50 50 VAL CA C 13 59.771 0.3 . 1 . . . . A 50 VAL CA . 26001 1 517 . 1 . 1 50 50 VAL CB C 13 35.057 0.3 . 1 . . . . A 50 VAL CB . 26001 1 518 . 1 . 1 50 50 VAL CG1 C 13 21.876 0.3 . 1 . . . . A 50 VAL CG1 . 26001 1 519 . 1 . 1 50 50 VAL CG2 C 13 21.876 0.3 . 1 . . . . A 50 VAL CG2 . 26001 1 520 . 1 . 1 50 50 VAL N N 15 125.737 0.3 . 1 . . . . A 50 VAL N . 26001 1 521 . 1 . 1 51 51 ASP H H 1 8.472 0.02 . 1 . . . . A 51 ASP H . 26001 1 522 . 1 . 1 51 51 ASP HA H 1 4.877 0.02 . 1 . . . . A 51 ASP HA . 26001 1 523 . 1 . 1 51 51 ASP HB2 H 1 2.824 0.02 . 2 . . . . A 51 ASP HB2 . 26001 1 524 . 1 . 1 51 51 ASP HB3 H 1 2.433 0.02 . 2 . . . . A 51 ASP HB3 . 26001 1 525 . 1 . 1 51 51 ASP CA C 13 53.385 0.3 . 1 . . . . A 51 ASP CA . 26001 1 526 . 1 . 1 51 51 ASP CB C 13 43.384 0.3 . 1 . . . . A 51 ASP CB . 26001 1 527 . 1 . 1 51 51 ASP N N 15 125.083 0.3 . 1 . . . . A 51 ASP N . 26001 1 528 . 1 . 1 52 52 CYS H H 1 9.246 0.02 . 1 . . . . A 52 CYS H . 26001 1 529 . 1 . 1 52 52 CYS HA H 1 4.707 0.02 . 1 . . . . A 52 CYS HA . 26001 1 530 . 1 . 1 52 52 CYS HB2 H 1 3.898 0.02 . 2 . . . . A 52 CYS HB2 . 26001 1 531 . 1 . 1 52 52 CYS HB3 H 1 3.554 0.02 . 2 . . . . A 52 CYS HB3 . 26001 1 532 . 1 . 1 52 52 CYS CA C 13 53.708 0.3 . 1 . . . . A 52 CYS CA . 26001 1 533 . 1 . 1 52 52 CYS CB C 13 40.627 0.3 . 1 . . . . A 52 CYS CB . 26001 1 534 . 1 . 1 52 52 CYS N N 15 122.922 0.3 . 1 . . . . A 52 CYS N . 26001 1 535 . 1 . 1 53 53 GLN H H 1 8.884 0.02 . 1 . . . . A 53 GLN H . 26001 1 536 . 1 . 1 53 53 GLN HA H 1 3.947 0.02 . 1 . . . . A 53 GLN HA . 26001 1 537 . 1 . 1 53 53 GLN HB2 H 1 1.6 0.02 . 1 . . . . A 53 GLN HB2 . 26001 1 538 . 1 . 1 53 53 GLN HB3 H 1 1.6 0.02 . 1 . . . . A 53 GLN HB3 . 26001 1 539 . 1 . 1 53 53 GLN HG2 H 1 2.141 0.02 . 2 . . . . A 53 GLN HG2 . 26001 1 540 . 1 . 1 53 53 GLN HG3 H 1 2.074 0.02 . 2 . . . . A 53 GLN HG3 . 26001 1 541 . 1 . 1 53 53 GLN HE21 H 1 8.869 0.02 . 1 . . . . A 53 GLN HE21 . 26001 1 542 . 1 . 1 53 53 GLN HE22 H 1 7.094 0.02 . 1 . . . . A 53 GLN HE22 . 26001 1 543 . 1 . 1 53 53 GLN C C 13 175.436 0.3 . 1 . . . . A 53 GLN C . 26001 1 544 . 1 . 1 53 53 GLN CA C 13 55.343 0.3 . 1 . . . . A 53 GLN CA . 26001 1 545 . 1 . 1 53 53 GLN CB C 13 29.607 0.3 . 1 . . . . A 53 GLN CB . 26001 1 546 . 1 . 1 53 53 GLN CG C 13 33.789 0.3 . 1 . . . . A 53 GLN CG . 26001 1 547 . 1 . 1 53 53 GLN N N 15 117.958 0.3 . 1 . . . . A 53 GLN N . 26001 1 548 . 1 . 1 53 53 GLN NE2 N 15 114.8 0.3 . 1 . . . . A 53 GLN NE2 . 26001 1 549 . 1 . 1 54 54 THR H H 1 7.271 0.02 . 1 . . . . A 54 THR H . 26001 1 550 . 1 . 1 54 54 THR HA H 1 4.374 0.02 . 1 . . . . A 54 THR HA . 26001 1 551 . 1 . 1 54 54 THR HB H 1 4.044 0.02 . 1 . . . . A 54 THR HB . 26001 1 552 . 1 . 1 54 54 THR HG1 H 1 4.974 0.02 . 1 . . . . A 54 THR HG1 . 26001 1 553 . 1 . 1 54 54 THR HG21 H 1 1.131 0.02 . 1 . . . . A 54 THR HG21 . 26001 1 554 . 1 . 1 54 54 THR HG22 H 1 1.131 0.02 . 1 . . . . A 54 THR HG22 . 26001 1 555 . 1 . 1 54 54 THR HG23 H 1 1.131 0.02 . 1 . . . . A 54 THR HG23 . 26001 1 556 . 1 . 1 54 54 THR C C 13 173.387 0.3 . 1 . . . . A 54 THR C . 26001 1 557 . 1 . 1 54 54 THR CA C 13 60.659 0.3 . 1 . . . . A 54 THR CA . 26001 1 558 . 1 . 1 54 54 THR CB C 13 68.841 0.3 . 1 . . . . A 54 THR CB . 26001 1 559 . 1 . 1 54 54 THR CG2 C 13 21.618 0.3 . 1 . . . . A 54 THR CG2 . 26001 1 560 . 1 . 1 54 54 THR N N 15 115.566 0.3 . 1 . . . . A 54 THR N . 26001 1 561 . 1 . 1 55 55 PRO HA H 1 4.47 0.02 . 1 . . . . A 55 PRO HA . 26001 1 562 . 1 . 1 55 55 PRO HB2 H 1 1.925 0.02 . 2 . . . . A 55 PRO HB2 . 26001 1 563 . 1 . 1 55 55 PRO HB3 H 1 2.229 0.02 . 2 . . . . A 55 PRO HB3 . 26001 1 564 . 1 . 1 55 55 PRO HD2 H 1 3.672 0.02 . 2 . . . . A 55 PRO HD2 . 26001 1 565 . 1 . 1 55 55 PRO HD3 H 1 3.849 0.02 . 2 . . . . A 55 PRO HD3 . 26001 1 566 . 1 . 1 55 55 PRO CA C 13 63.568 0.3 . 1 . . . . A 55 PRO CA . 26001 1 567 . 1 . 1 55 55 PRO CB C 13 31.705 0.3 . 1 . . . . A 55 PRO CB . 26001 1 568 . 1 . 1 55 55 PRO CD C 13 51.014 0.3 . 1 . . . . A 55 PRO CD . 26001 1 569 . 1 . 1 56 56 VAL H H 1 7.579 0.02 . 1 . . . . A 56 VAL H . 26001 1 570 . 1 . 1 56 56 VAL HA H 1 3.734 0.02 . 1 . . . . A 56 VAL HA . 26001 1 571 . 1 . 1 56 56 VAL HB H 1 1.805 0.02 . 1 . . . . A 56 VAL HB . 26001 1 572 . 1 . 1 56 56 VAL HG11 H 1 0.684 0.02 . 1 . . . . A 56 VAL HG11 . 26001 1 573 . 1 . 1 56 56 VAL HG12 H 1 0.684 0.02 . 1 . . . . A 56 VAL HG12 . 26001 1 574 . 1 . 1 56 56 VAL HG13 H 1 0.684 0.02 . 1 . . . . A 56 VAL HG13 . 26001 1 575 . 1 . 1 56 56 VAL HG21 H 1 0.684 0.02 . 1 . . . . A 56 VAL HG21 . 26001 1 576 . 1 . 1 56 56 VAL HG22 H 1 0.684 0.02 . 1 . . . . A 56 VAL HG22 . 26001 1 577 . 1 . 1 56 56 VAL HG23 H 1 0.684 0.02 . 1 . . . . A 56 VAL HG23 . 26001 1 578 . 1 . 1 56 56 VAL C C 13 180.745 0.3 . 1 . . . . A 56 VAL C . 26001 1 579 . 1 . 1 56 56 VAL CA C 13 63.56 0.3 . 1 . . . . A 56 VAL CA . 26001 1 580 . 1 . 1 56 56 VAL CB C 13 32.964 0.3 . 1 . . . . A 56 VAL CB . 26001 1 581 . 1 . 1 56 56 VAL CG1 C 13 21.36 0.3 . 1 . . . . A 56 VAL CG1 . 26001 1 582 . 1 . 1 56 56 VAL CG2 C 13 20.225 0.3 . 1 . . . . A 56 VAL CG2 . 26001 1 583 . 1 . 1 56 56 VAL N N 15 122.992 0.3 . 1 . . . . A 56 VAL N . 26001 1 stop_ save_