################################### # 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 16739 _Assigned_chem_shift_list.ID 1 _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' . . . 16739 1 2 '2D 1H-13C HSQC' . . . 16739 1 3 '3D CBCA(CO)NH' . . . 16739 1 4 '3D HNCACB' . . . 16739 1 5 '3D HNCO' . . . 16739 1 6 '3D HCCH-TOCSY' . . . 16739 1 7 '3D HCCH-COSY' . . . 16739 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $TOPSPIN . . 16739 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 HA2 H 1 3.60 0.02 . 2 . . . . 1 GLY HA2 . 16739 1 2 . 1 1 1 1 GLY HA3 H 1 3.70 0.02 . 2 . . . . 1 GLY HA3 . 16739 1 3 . 1 1 1 1 GLY C C 13 170.5 0.3 . 1 . . . . 1 GLY C . 16739 1 4 . 1 1 1 1 GLY CA C 13 43.1 0.3 . 1 . . . . 1 GLY CA . 16739 1 5 . 1 1 2 2 PHE H H 1 8.61 0.02 . 1 . . . . 2 PHE H . 16739 1 6 . 1 1 2 2 PHE HA H 1 4.00 0.02 . 1 . . . . 2 PHE HA . 16739 1 7 . 1 1 2 2 PHE HB2 H 1 2.73 0.02 . 2 . . . . 2 PHE HB2 . 16739 1 8 . 1 1 2 2 PHE HB3 H 1 2.87 0.02 . 2 . . . . 2 PHE HB3 . 16739 1 9 . 1 1 2 2 PHE HD2 H 1 6.82 0.02 . 1 . . . . 2 PHE HD2 . 16739 1 10 . 1 1 2 2 PHE HE2 H 1 7.20 0.02 . 1 . . . . 2 PHE HE2 . 16739 1 11 . 1 1 2 2 PHE C C 13 172.4 0.3 . 1 . . . . 2 PHE C . 16739 1 12 . 1 1 2 2 PHE CA C 13 59.0 0.3 . 1 . . . . 2 PHE CA . 16739 1 13 . 1 1 2 2 PHE CB C 13 37.1 0.3 . 1 . . . . 2 PHE CB . 16739 1 14 . 1 1 2 2 PHE CD2 C 13 131.0 0.3 . 1 . . . . 2 PHE CD2 . 16739 1 15 . 1 1 2 2 PHE N N 15 119.5 0.3 . 1 . . . . 2 PHE N . 16739 1 16 . 1 1 3 3 GLY H H 1 8.09 0.02 . 1 . . . . 3 GLY H . 16739 1 17 . 1 1 3 3 GLY HA2 H 1 3.41 0.02 . 2 . . . . 3 GLY HA2 . 16739 1 18 . 1 1 3 3 GLY HA3 H 1 4.59 0.02 . 2 . . . . 3 GLY HA3 . 16739 1 19 . 1 1 3 3 GLY C C 13 174.7 0.3 . 1 . . . . 3 GLY C . 16739 1 20 . 1 1 3 3 GLY CA C 13 44.5 0.3 . 1 . . . . 3 GLY CA . 16739 1 21 . 1 1 3 3 GLY N N 15 101.2 0.3 . 1 . . . . 3 GLY N . 16739 1 22 . 1 1 4 4 CYS H H 1 7.59 0.02 . 1 . . . . 4 CYS H . 16739 1 23 . 1 1 4 4 CYS HA H 1 4.70 0.02 . 1 . . . . 4 CYS HA . 16739 1 24 . 1 1 4 4 CYS HB2 H 1 2.62 0.02 . 2 . . . . 4 CYS HB2 . 16739 1 25 . 1 1 4 4 CYS HB3 H 1 2.76 0.02 . 2 . . . . 4 CYS HB3 . 16739 1 26 . 1 1 4 4 CYS C C 13 173.6 0.3 . 1 . . . . 4 CYS C . 16739 1 27 . 1 1 4 4 CYS CA C 13 52.5 0.3 . 1 . . . . 4 CYS CA . 16739 1 28 . 1 1 4 4 CYS CB C 13 34.5 0.3 . 1 . . . . 4 CYS CB . 16739 1 29 . 1 1 4 4 CYS N N 15 123.2 0.3 . 1 . . . . 4 CYS N . 16739 1 30 . 1 1 5 5 ASN H H 1 8.11 0.02 . 1 . . . . 5 ASN H . 16739 1 31 . 1 1 5 5 ASN HA H 1 5.15 0.02 . 1 . . . . 5 ASN HA . 16739 1 32 . 1 1 5 5 ASN HB2 H 1 2.83 0.02 . 2 . . . . 5 ASN HB2 . 16739 1 33 . 1 1 5 5 ASN HB3 H 1 3.03 0.02 . 2 . . . . 5 ASN HB3 . 16739 1 34 . 1 1 5 5 ASN HD21 H 1 7.47 0.02 . 1 . . . . 5 ASN HD21 . 16739 1 35 . 1 1 5 5 ASN HD22 H 1 6.91 0.02 . 1 . . . . 5 ASN HD22 . 16739 1 36 . 1 1 5 5 ASN C C 13 173.9 0.3 . 1 . . . . 5 ASN C . 16739 1 37 . 1 1 5 5 ASN CA C 13 52.0 0.3 . 1 . . . . 5 ASN CA . 16739 1 38 . 1 1 5 5 ASN CB C 13 39.6 0.3 . 1 . . . . 5 ASN CB . 16739 1 39 . 1 1 5 5 ASN CG C 13 178.3 0.3 . 1 . . . . 5 ASN CG . 16739 1 40 . 1 1 5 5 ASN N N 15 122.5 0.3 . 1 . . . . 5 ASN N . 16739 1 41 . 1 1 5 5 ASN ND2 N 15 115.6 0.3 . 1 . . . . 5 ASN ND2 . 16739 1 42 . 1 1 6 6 GLY H H 1 7.16 0.02 . 1 . . . . 6 GLY H . 16739 1 43 . 1 1 6 6 GLY HA2 H 1 1.54 0.02 . 2 . . . . 6 GLY HA2 . 16739 1 44 . 1 1 6 6 GLY HA3 H 1 3.37 0.02 . 2 . . . . 6 GLY HA3 . 16739 1 45 . 1 1 6 6 GLY CA C 13 43.0 0.3 . 1 . . . . 6 GLY CA . 16739 1 46 . 1 1 6 6 GLY N N 15 109.8 0.3 . 1 . . . . 6 GLY N . 16739 1 47 . 1 1 7 7 PRO HA H 1 3.98 0.02 . 1 . . . . 7 PRO HA . 16739 1 48 . 1 1 7 7 PRO HB2 H 1 1.20 0.02 . 2 . . . . 7 PRO HB2 . 16739 1 49 . 1 1 7 7 PRO HB3 H 1 1.87 0.02 . 2 . . . . 7 PRO HB3 . 16739 1 50 . 1 1 7 7 PRO HD2 H 1 2.93 0.02 . 2 . . . . 7 PRO HD2 . 16739 1 51 . 1 1 7 7 PRO HD3 H 1 3.09 0.02 . 2 . . . . 7 PRO HD3 . 16739 1 52 . 1 1 7 7 PRO HG2 H 1 1.50 0.02 . 2 . . . . 7 PRO HG2 . 16739 1 53 . 1 1 7 7 PRO HG3 H 1 1.78 0.02 . 2 . . . . 7 PRO HG3 . 16739 1 54 . 1 1 7 7 PRO C C 13 177.2 0.3 . 1 . . . . 7 PRO C . 16739 1 55 . 1 1 7 7 PRO CA C 13 64.3 0.3 . 1 . . . . 7 PRO CA . 16739 1 56 . 1 1 7 7 PRO CB C 13 30.9 0.3 . 1 . . . . 7 PRO CB . 16739 1 57 . 1 1 7 7 PRO CD C 13 49.1 0.3 . 1 . . . . 7 PRO CD . 16739 1 58 . 1 1 7 7 PRO CG C 13 27.0 0.3 . 1 . . . . 7 PRO CG . 16739 1 59 . 1 1 8 8 TRP H H 1 7.33 0.02 . 1 . . . . 8 TRP H . 16739 1 60 . 1 1 8 8 TRP HA H 1 4.76 0.02 . 1 . . . . 8 TRP HA . 16739 1 61 . 1 1 8 8 TRP HB2 H 1 3.15 0.02 . 2 . . . . 8 TRP HB2 . 16739 1 62 . 1 1 8 8 TRP HB3 H 1 3.45 0.02 . 2 . . . . 8 TRP HB3 . 16739 1 63 . 1 1 8 8 TRP HD1 H 1 7.16 0.02 . 1 . . . . 8 TRP HD1 . 16739 1 64 . 1 1 8 8 TRP HE1 H 1 10.20 0.02 . 1 . . . . 8 TRP HE1 . 16739 1 65 . 1 1 8 8 TRP HE3 H 1 7.70 0.02 . 1 . . . . 8 TRP HE3 . 16739 1 66 . 1 1 8 8 TRP HH2 H 1 7.36 0.02 . 1 . . . . 8 TRP HH2 . 16739 1 67 . 1 1 8 8 TRP HZ2 H 1 7.60 0.02 . 1 . . . . 8 TRP HZ2 . 16739 1 68 . 1 1 8 8 TRP HZ3 H 1 7.24 0.02 . 1 . . . . 8 TRP HZ3 . 16739 1 69 . 1 1 8 8 TRP C C 13 175.5 0.3 . 1 . . . . 8 TRP C . 16739 1 70 . 1 1 8 8 TRP CA C 13 56.1 0.3 . 1 . . . . 8 TRP CA . 16739 1 71 . 1 1 8 8 TRP CB C 13 28.4 0.3 . 1 . . . . 8 TRP CB . 16739 1 72 . 1 1 8 8 TRP CD1 C 13 127.0 0.3 . 1 . . . . 8 TRP CD1 . 16739 1 73 . 1 1 8 8 TRP CE3 C 13 120.5 0.3 . 1 . . . . 8 TRP CE3 . 16739 1 74 . 1 1 8 8 TRP CH2 C 13 124.6 0.3 . 1 . . . . 8 TRP CH2 . 16739 1 75 . 1 1 8 8 TRP CZ2 C 13 114.8 0.3 . 1 . . . . 8 TRP CZ2 . 16739 1 76 . 1 1 8 8 TRP CZ3 C 13 122.1 0.3 . 1 . . . . 8 TRP CZ3 . 16739 1 77 . 1 1 8 8 TRP N N 15 116.2 0.3 . 1 . . . . 8 TRP N . 16739 1 78 . 1 1 8 8 TRP NE1 N 15 130.6 0.3 . 1 . . . . 8 TRP NE1 . 16739 1 79 . 1 1 9 9 ASP H H 1 7.53 0.02 . 1 . . . . 9 ASP H . 16739 1 80 . 1 1 9 9 ASP HA H 1 4.64 0.02 . 1 . . . . 9 ASP HA . 16739 1 81 . 1 1 9 9 ASP HB2 H 1 2.40 0.02 . 2 . . . . 9 ASP HB2 . 16739 1 82 . 1 1 9 9 ASP HB3 H 1 2.50 0.02 . 2 . . . . 9 ASP HB3 . 16739 1 83 . 1 1 9 9 ASP C C 13 172.2 0.3 . 1 . . . . 9 ASP C . 16739 1 84 . 1 1 9 9 ASP CA C 13 53.4 0.3 . 1 . . . . 9 ASP CA . 16739 1 85 . 1 1 9 9 ASP CB C 13 40.0 0.3 . 1 . . . . 9 ASP CB . 16739 1 86 . 1 1 9 9 ASP N N 15 123.2 0.3 . 1 . . . . 9 ASP N . 16739 1 87 . 1 1 10 10 GLU H H 1 8.37 0.02 . 1 . . . . 10 GLU H . 16739 1 88 . 1 1 10 10 GLU HA H 1 4.87 0.02 . 1 . . . . 10 GLU HA . 16739 1 89 . 1 1 10 10 GLU HB2 H 1 1.96 0.02 . 2 . . . . 10 GLU HB2 . 16739 1 90 . 1 1 10 10 GLU HB3 H 1 2.09 0.02 . 2 . . . . 10 GLU HB3 . 16739 1 91 . 1 1 10 10 GLU HG2 H 1 2.25 0.02 . 2 . . . . 10 GLU HG2 . 16739 1 92 . 1 1 10 10 GLU HG3 H 1 2.44 0.02 . 2 . . . . 10 GLU HG3 . 16739 1 93 . 1 1 10 10 GLU C C 13 174.6 0.3 . 1 . . . . 10 GLU C . 16739 1 94 . 1 1 10 10 GLU CA C 13 54.6 0.3 . 1 . . . . 10 GLU CA . 16739 1 95 . 1 1 10 10 GLU CB C 13 29.6 0.3 . 1 . . . . 10 GLU CB . 16739 1 96 . 1 1 10 10 GLU CG C 13 33.4 0.3 . 1 . . . . 10 GLU CG . 16739 1 97 . 1 1 10 10 GLU N N 15 121.8 0.3 . 1 . . . . 10 GLU N . 16739 1 98 . 1 1 11 11 ASP H H 1 8.46 0.02 . 1 . . . . 11 ASP H . 16739 1 99 . 1 1 11 11 ASP HA H 1 4.88 0.02 . 1 . . . . 11 ASP HA . 16739 1 100 . 1 1 11 11 ASP HB2 H 1 2.59 0.02 . 2 . . . . 11 ASP HB2 . 16739 1 101 . 1 1 11 11 ASP HB3 H 1 3.04 0.02 . 2 . . . . 11 ASP HB3 . 16739 1 102 . 1 1 11 11 ASP C C 13 175.2 0.3 . 1 . . . . 11 ASP C . 16739 1 103 . 1 1 11 11 ASP CA C 13 51.8 0.3 . 1 . . . . 11 ASP CA . 16739 1 104 . 1 1 11 11 ASP CB C 13 40.5 0.3 . 1 . . . . 11 ASP CB . 16739 1 105 . 1 1 11 11 ASP N N 15 126.4 0.3 . 1 . . . . 11 ASP N . 16739 1 106 . 1 1 12 12 ASP H H 1 8.42 0.02 . 1 . . . . 12 ASP H . 16739 1 107 . 1 1 12 12 ASP HA H 1 4.38 0.02 . 1 . . . . 12 ASP HA . 16739 1 108 . 1 1 12 12 ASP HB2 H 1 2.95 0.02 . 2 . . . . 12 ASP HB2 . 16739 1 109 . 1 1 12 12 ASP HB3 H 1 2.68 0.02 . 2 . . . . 12 ASP HB3 . 16739 1 110 . 1 1 12 12 ASP C C 13 178.0 0.3 . 1 . . . . 12 ASP C . 16739 1 111 . 1 1 12 12 ASP CA C 13 57.7 0.3 . 1 . . . . 12 ASP CA . 16739 1 112 . 1 1 12 12 ASP CB C 13 41.2 0.3 . 1 . . . . 12 ASP CB . 16739 1 113 . 1 1 12 12 ASP N N 15 123.8 0.3 . 1 . . . . 12 ASP N . 16739 1 114 . 1 1 13 13 MET H H 1 8.41 0.02 . 1 . . . . 13 MET H . 16739 1 115 . 1 1 13 13 MET HA H 1 4.44 0.02 . 1 . . . . 13 MET HA . 16739 1 116 . 1 1 13 13 MET HB2 H 1 2.20 0.02 . 1 . . . . 13 MET HB2 . 16739 1 117 . 1 1 13 13 MET HE1 H 1 2.04 0.02 . 1 . . . . 13 MET HE . 16739 1 118 . 1 1 13 13 MET HE2 H 1 2.04 0.02 . 1 . . . . 13 MET HE . 16739 1 119 . 1 1 13 13 MET HE3 H 1 2.04 0.02 . 1 . . . . 13 MET HE . 16739 1 120 . 1 1 13 13 MET HG3 H 1 2.63 0.02 . 1 . . . . 13 MET HG3 . 16739 1 121 . 1 1 13 13 MET C C 13 178.4 0.3 . 1 . . . . 13 MET C . 16739 1 122 . 1 1 13 13 MET CA C 13 57.6 0.3 . 1 . . . . 13 MET CA . 16739 1 123 . 1 1 13 13 MET CB C 13 31.0 0.3 . 1 . . . . 13 MET CB . 16739 1 124 . 1 1 13 13 MET CE C 13 16.7 0.3 . 1 . . . . 13 MET CE . 16739 1 125 . 1 1 13 13 MET CG C 13 32.0 0.3 . 1 . . . . 13 MET CG . 16739 1 126 . 1 1 13 13 MET N N 15 119.3 0.3 . 1 . . . . 13 MET N . 16739 1 127 . 1 1 14 14 GLN H H 1 7.64 0.02 . 1 . . . . 14 GLN H . 16739 1 128 . 1 1 14 14 GLN HA H 1 4.10 0.02 . 1 . . . . 14 GLN HA . 16739 1 129 . 1 1 14 14 GLN HB2 H 1 2.05 0.02 . 2 . . . . 14 GLN HB2 . 16739 1 130 . 1 1 14 14 GLN HB3 H 1 2.12 0.02 . 2 . . . . 14 GLN HB3 . 16739 1 131 . 1 1 14 14 GLN HE21 H 1 7.72 0.02 . 1 . . . . 14 GLN HE21 . 16739 1 132 . 1 1 14 14 GLN HE22 H 1 6.99 0.02 . 1 . . . . 14 GLN HE22 . 16739 1 133 . 1 1 14 14 GLN HG2 H 1 2.49 0.02 . 2 . . . . 14 GLN HG2 . 16739 1 134 . 1 1 14 14 GLN HG3 H 1 2.18 0.02 . 2 . . . . 14 GLN HG3 . 16739 1 135 . 1 1 14 14 GLN C C 13 179.0 0.3 . 1 . . . . 14 GLN C . 16739 1 136 . 1 1 14 14 GLN CA C 13 58.9 0.3 . 1 . . . . 14 GLN CA . 16739 1 137 . 1 1 14 14 GLN CB C 13 28.7 0.3 . 1 . . . . 14 GLN CB . 16739 1 138 . 1 1 14 14 GLN CD C 13 179.8 0.3 . 1 . . . . 14 GLN CD . 16739 1 139 . 1 1 14 14 GLN CG C 13 34.1 0.3 . 1 . . . . 14 GLN CG . 16739 1 140 . 1 1 14 14 GLN N N 15 121.6 0.3 . 1 . . . . 14 GLN N . 16739 1 141 . 1 1 14 14 GLN NE2 N 15 112.4 0.3 . 1 . . . . 14 GLN NE2 . 16739 1 142 . 1 1 15 15 CYS H H 1 7.37 0.02 . 1 . . . . 15 CYS H . 16739 1 143 . 1 1 15 15 CYS HA H 1 4.83 0.02 . 1 . . . . 15 CYS HA . 16739 1 144 . 1 1 15 15 CYS HB2 H 1 2.63 0.02 . 2 . . . . 15 CYS HB2 . 16739 1 145 . 1 1 15 15 CYS HB3 H 1 3.74 0.02 . 2 . . . . 15 CYS HB3 . 16739 1 146 . 1 1 15 15 CYS C C 13 175.7 0.3 . 1 . . . . 15 CYS C . 16739 1 147 . 1 1 15 15 CYS CA C 13 58.5 0.3 . 1 . . . . 15 CYS CA . 16739 1 148 . 1 1 15 15 CYS CB C 13 35.9 0.3 . 1 . . . . 15 CYS CB . 16739 1 149 . 1 1 15 15 CYS N N 15 122.4 0.3 . 1 . . . . 15 CYS N . 16739 1 150 . 1 1 16 16 HIS H H 1 9.06 0.02 . 1 . . . . 16 HIS H . 16739 1 151 . 1 1 16 16 HIS HA H 1 3.85 0.02 . 1 . . . . 16 HIS HA . 16739 1 152 . 1 1 16 16 HIS HB2 H 1 3.52 0.02 . 2 . . . . 16 HIS HB2 . 16739 1 153 . 1 1 16 16 HIS HB3 H 1 3.52 0.02 . 2 . . . . 16 HIS HB3 . 16739 1 154 . 1 1 16 16 HIS HD2 H 1 7.21 0.02 . 1 . . . . 16 HIS HD2 . 16739 1 155 . 1 1 16 16 HIS HE1 H 1 8.22 0.02 . 1 . . . . 16 HIS HE1 . 16739 1 156 . 1 1 16 16 HIS C C 13 177.0 0.3 . 1 . . . . 16 HIS C . 16739 1 157 . 1 1 16 16 HIS CA C 13 60.5 0.3 . 1 . . . . 16 HIS CA . 16739 1 158 . 1 1 16 16 HIS CB C 13 30.2 0.3 . 1 . . . . 16 HIS CB . 16739 1 159 . 1 1 16 16 HIS CD2 C 13 118.7 0.3 . 1 . . . . 16 HIS CD2 . 16739 1 160 . 1 1 16 16 HIS CE1 C 13 138.5 0.3 . 1 . . . . 16 HIS CE1 . 16739 1 161 . 1 1 16 16 HIS N N 15 122.7 0.3 . 1 . . . . 16 HIS N . 16739 1 162 . 1 1 17 17 ASN H H 1 8.64 0.02 . 1 . . . . 17 ASN H . 16739 1 163 . 1 1 17 17 ASN HA H 1 4.31 0.02 . 1 . . . . 17 ASN HA . 16739 1 164 . 1 1 17 17 ASN HB2 H 1 2.80 0.02 . 2 . . . . 17 ASN HB2 . 16739 1 165 . 1 1 17 17 ASN HB3 H 1 2.90 0.02 . 2 . . . . 17 ASN HB3 . 16739 1 166 . 1 1 17 17 ASN HD21 H 1 7.59 0.02 . 1 . . . . 17 ASN HD21 . 16739 1 167 . 1 1 17 17 ASN HD22 H 1 6.94 0.02 . 1 . . . . 17 ASN HD22 . 16739 1 168 . 1 1 17 17 ASN C C 13 178.3 0.3 . 1 . . . . 17 ASN C . 16739 1 169 . 1 1 17 17 ASN CA C 13 55.7 0.3 . 1 . . . . 17 ASN CA . 16739 1 170 . 1 1 17 17 ASN CB C 13 37.5 0.3 . 1 . . . . 17 ASN CB . 16739 1 171 . 1 1 17 17 ASN CG C 13 175.7 0.3 . 1 . . . . 17 ASN CG . 16739 1 172 . 1 1 17 17 ASN N N 15 117.3 0.3 . 1 . . . . 17 ASN N . 16739 1 173 . 1 1 17 17 ASN ND2 N 15 112.4 0.3 . 1 . . . . 17 ASN ND2 . 16739 1 174 . 1 1 18 18 HIS H H 1 8.17 0.02 . 1 . . . . 18 HIS H . 16739 1 175 . 1 1 18 18 HIS HA H 1 4.29 0.02 . 1 . . . . 18 HIS HA . 16739 1 176 . 1 1 18 18 HIS HB2 H 1 3.26 0.02 . 2 . . . . 18 HIS HB2 . 16739 1 177 . 1 1 18 18 HIS HB3 H 1 3.63 0.02 . 2 . . . . 18 HIS HB3 . 16739 1 178 . 1 1 18 18 HIS HD2 H 1 6.67 0.02 . 1 . . . . 18 HIS HD2 . 16739 1 179 . 1 1 18 18 HIS HE1 H 1 8.04 0.02 . 1 . . . . 18 HIS HE1 . 16739 1 180 . 1 1 18 18 HIS C C 13 177.4 0.3 . 1 . . . . 18 HIS C . 16739 1 181 . 1 1 18 18 HIS CA C 13 58.7 0.3 . 1 . . . . 18 HIS CA . 16739 1 182 . 1 1 18 18 HIS CB C 13 27.1 0.3 . 1 . . . . 18 HIS CB . 16739 1 183 . 1 1 18 18 HIS CD2 C 13 120.0 0.3 . 1 . . . . 18 HIS CD2 . 16739 1 184 . 1 1 18 18 HIS CE1 C 13 136.8 0.3 . 1 . . . . 18 HIS CE1 . 16739 1 185 . 1 1 18 18 HIS N N 15 121.4 0.3 . 1 . . . . 18 HIS N . 16739 1 186 . 1 1 19 19 CYS H H 1 8.64 0.02 . 1 . . . . 19 CYS H . 16739 1 187 . 1 1 19 19 CYS HA H 1 3.68 0.02 . 1 . . . . 19 CYS HA . 16739 1 188 . 1 1 19 19 CYS HB3 H 1 2.23 0.02 . 1 . . . . 19 CYS HB3 . 16739 1 189 . 1 1 19 19 CYS CA C 13 58.3 0.3 . 1 . . . . 19 CYS CA . 16739 1 190 . 1 1 19 19 CYS CB C 13 37.2 0.3 . 1 . . . . 19 CYS CB . 16739 1 191 . 1 1 19 19 CYS N N 15 121.3 0.3 . 1 . . . . 19 CYS N . 16739 1 192 . 1 1 20 20 LYS H H 1 7.80 0.02 . 1 . . . . 20 LYS H . 16739 1 193 . 1 1 20 20 LYS HA H 1 3.72 0.02 . 1 . . . . 20 LYS HA . 16739 1 194 . 1 1 20 20 LYS HB2 H 1 1.55 0.02 . 1 . . . . 20 LYS HB2 . 16739 1 195 . 1 1 20 20 LYS HE3 H 1 2.96 0.02 . 1 . . . . 20 LYS HE3 . 16739 1 196 . 1 1 20 20 LYS HG2 H 1 1.18 0.02 . 1 . . . . 20 LYS HG2 . 16739 1 197 . 1 1 20 20 LYS C C 13 176.5 0.3 . 1 . . . . 20 LYS C . 16739 1 198 . 1 1 20 20 LYS CA C 13 57.8 0.3 . 1 . . . . 20 LYS CA . 16739 1 199 . 1 1 20 20 LYS CB C 13 31.2 0.3 . 1 . . . . 20 LYS CB . 16739 1 200 . 1 1 20 20 LYS CD C 13 28.8 0.3 . 1 . . . . 20 LYS CD . 16739 1 201 . 1 1 20 20 LYS CE C 13 41.6 0.3 . 1 . . . . 20 LYS CE . 16739 1 202 . 1 1 20 20 LYS CG C 13 24.6 0.3 . 1 . . . . 20 LYS CG . 16739 1 203 . 1 1 20 20 LYS N N 15 115.4 0.3 . 1 . . . . 20 LYS N . 16739 1 204 . 1 1 21 21 SER H H 1 7.21 0.02 . 1 . . . . 21 SER H . 16739 1 205 . 1 1 21 21 SER HA H 1 4.34 0.02 . 1 . . . . 21 SER HA . 16739 1 206 . 1 1 21 21 SER HB2 H 1 3.87 0.02 . 2 . . . . 21 SER HB2 . 16739 1 207 . 1 1 21 21 SER HB3 H 1 4.01 0.02 . 2 . . . . 21 SER HB3 . 16739 1 208 . 1 1 21 21 SER C C 13 173.0 0.3 . 1 . . . . 21 SER C . 16739 1 209 . 1 1 21 21 SER CA C 13 59.3 0.3 . 1 . . . . 21 SER CA . 16739 1 210 . 1 1 21 21 SER CB C 13 64.0 0.3 . 1 . . . . 21 SER CB . 16739 1 211 . 1 1 21 21 SER N N 15 114.6 0.3 . 1 . . . . 21 SER N . 16739 1 212 . 1 1 22 22 ILE H H 1 7.58 0.02 . 1 . . . . 22 ILE H . 16739 1 213 . 1 1 22 22 ILE HA H 1 4.01 0.02 . 1 . . . . 22 ILE HA . 16739 1 214 . 1 1 22 22 ILE HB H 1 2.02 0.02 . 1 . . . . 22 ILE HB . 16739 1 215 . 1 1 22 22 ILE HD11 H 1 0.50 0.02 . 1 . . . . 22 ILE HD1 . 16739 1 216 . 1 1 22 22 ILE HD12 H 1 0.50 0.02 . 1 . . . . 22 ILE HD1 . 16739 1 217 . 1 1 22 22 ILE HD13 H 1 0.50 0.02 . 1 . . . . 22 ILE HD1 . 16739 1 218 . 1 1 22 22 ILE HG12 H 1 0.73 0.02 . 2 . . . . 22 ILE HG12 . 16739 1 219 . 1 1 22 22 ILE HG13 H 1 1.34 0.02 . 2 . . . . 22 ILE HG13 . 16739 1 220 . 1 1 22 22 ILE HG21 H 1 0.82 0.02 . 1 . . . . 22 ILE HG2 . 16739 1 221 . 1 1 22 22 ILE HG22 H 1 0.82 0.02 . 1 . . . . 22 ILE HG2 . 16739 1 222 . 1 1 22 22 ILE HG23 H 1 0.82 0.02 . 1 . . . . 22 ILE HG2 . 16739 1 223 . 1 1 22 22 ILE C C 13 175.0 0.3 . 1 . . . . 22 ILE C . 16739 1 224 . 1 1 22 22 ILE CA C 13 60.7 0.3 . 1 . . . . 22 ILE CA . 16739 1 225 . 1 1 22 22 ILE CB C 13 38.4 0.3 . 1 . . . . 22 ILE CB . 16739 1 226 . 1 1 22 22 ILE CD1 C 13 13.1 0.3 . 1 . . . . 22 ILE CD1 . 16739 1 227 . 1 1 22 22 ILE CG1 C 13 26.6 0.3 . 1 . . . . 22 ILE CG1 . 16739 1 228 . 1 1 22 22 ILE CG2 C 13 17.4 0.3 . 1 . . . . 22 ILE CG2 . 16739 1 229 . 1 1 22 22 ILE N N 15 126.9 0.3 . 1 . . . . 22 ILE N . 16739 1 230 . 1 1 23 23 LYS H H 1 8.22 0.02 . 1 . . . . 23 LYS H . 16739 1 231 . 1 1 23 23 LYS HA H 1 3.91 0.02 . 1 . . . . 23 LYS HA . 16739 1 232 . 1 1 23 23 LYS HB2 H 1 1.66 0.02 . 2 . . . . 23 LYS HB2 . 16739 1 233 . 1 1 23 23 LYS HB3 H 1 1.75 0.02 . 2 . . . . 23 LYS HB3 . 16739 1 234 . 1 1 23 23 LYS HD3 H 1 1.65 0.02 . 1 . . . . 23 LYS HD3 . 16739 1 235 . 1 1 23 23 LYS HE3 H 1 2.96 0.02 . 1 . . . . 23 LYS HE3 . 16739 1 236 . 1 1 23 23 LYS HG2 H 1 1.32 0.02 . 2 . . . . 23 LYS HG2 . 16739 1 237 . 1 1 23 23 LYS HG3 H 1 1.44 0.02 . 2 . . . . 23 LYS HG3 . 16739 1 238 . 1 1 23 23 LYS C C 13 177.1 0.3 . 1 . . . . 23 LYS C . 16739 1 239 . 1 1 23 23 LYS CA C 13 58.4 0.3 . 1 . . . . 23 LYS CA . 16739 1 240 . 1 1 23 23 LYS CB C 13 32.0 0.3 . 1 . . . . 23 LYS CB . 16739 1 241 . 1 1 23 23 LYS CD C 13 29.1 0.3 . 1 . . . . 23 LYS CD . 16739 1 242 . 1 1 23 23 LYS CE C 13 42.0 0.3 . 1 . . . . 23 LYS CE . 16739 1 243 . 1 1 23 23 LYS CG C 13 24.4 0.3 . 1 . . . . 23 LYS CG . 16739 1 244 . 1 1 23 23 LYS N N 15 127.7 0.3 . 1 . . . . 23 LYS N . 16739 1 245 . 1 1 24 24 GLY H H 1 8.60 0.02 . 1 . . . . 24 GLY H . 16739 1 246 . 1 1 24 24 GLY HA2 H 1 3.47 0.02 . 2 . . . . 24 GLY HA2 . 16739 1 247 . 1 1 24 24 GLY HA3 H 1 4.09 0.02 . 2 . . . . 24 GLY HA3 . 16739 1 248 . 1 1 24 24 GLY C C 13 174.6 0.3 . 1 . . . . 24 GLY C . 16739 1 249 . 1 1 24 24 GLY CA C 13 44.6 0.3 . 1 . . . . 24 GLY CA . 16739 1 250 . 1 1 24 24 GLY N N 15 113.9 0.3 . 1 . . . . 24 GLY N . 16739 1 251 . 1 1 25 25 TYR H H 1 7.69 0.02 . 1 . . . . 25 TYR H . 16739 1 252 . 1 1 25 25 TYR HA H 1 4.92 0.02 . 1 . . . . 25 TYR HA . 16739 1 253 . 1 1 25 25 TYR HB2 H 1 2.81 0.02 . 2 . . . . 25 TYR HB2 . 16739 1 254 . 1 1 25 25 TYR HB3 H 1 3.15 0.02 . 2 . . . . 25 TYR HB3 . 16739 1 255 . 1 1 25 25 TYR C C 13 175.5 0.3 . 1 . . . . 25 TYR C . 16739 1 256 . 1 1 25 25 TYR CA C 13 56.5 0.3 . 1 . . . . 25 TYR CA . 16739 1 257 . 1 1 25 25 TYR CB C 13 38.7 0.3 . 1 . . . . 25 TYR CB . 16739 1 258 . 1 1 25 25 TYR N N 15 120.5 0.3 . 1 . . . . 25 TYR N . 16739 1 259 . 1 1 26 26 LYS H H 1 10.74 0.02 . 1 . . . . 26 LYS H . 16739 1 260 . 1 1 26 26 LYS HA H 1 4.43 0.02 . 1 . . . . 26 LYS HA . 16739 1 261 . 1 1 26 26 LYS HB2 H 1 1.77 0.02 . 2 . . . . 26 LYS HB2 . 16739 1 262 . 1 1 26 26 LYS HB3 H 1 1.86 0.02 . 2 . . . . 26 LYS HB3 . 16739 1 263 . 1 1 26 26 LYS HD2 H 1 1.79 0.02 . 1 . . . . 26 LYS HD2 . 16739 1 264 . 1 1 26 26 LYS HE2 H 1 3.09 0.02 . 1 . . . . 26 LYS HE2 . 16739 1 265 . 1 1 26 26 LYS HG2 H 1 1.49 0.02 . 2 . . . . 26 LYS HG2 . 16739 1 266 . 1 1 26 26 LYS HG3 H 1 1.54 0.02 . 2 . . . . 26 LYS HG3 . 16739 1 267 . 1 1 26 26 LYS C C 13 176.3 0.3 . 1 . . . . 26 LYS C . 16739 1 268 . 1 1 26 26 LYS CA C 13 55.8 0.3 . 1 . . . . 26 LYS CA . 16739 1 269 . 1 1 26 26 LYS CB C 13 35.0 0.3 . 1 . . . . 26 LYS CB . 16739 1 270 . 1 1 26 26 LYS CD C 13 29.2 0.3 . 1 . . . . 26 LYS CD . 16739 1 271 . 1 1 26 26 LYS CE C 13 42.1 0.3 . 1 . . . . 26 LYS CE . 16739 1 272 . 1 1 26 26 LYS CG C 13 24.6 0.3 . 1 . . . . 26 LYS CG . 16739 1 273 . 1 1 26 26 LYS N N 15 121.7 0.3 . 1 . . . . 26 LYS N . 16739 1 274 . 1 1 27 27 GLY H H 1 7.40 0.02 . 1 . . . . 27 GLY H . 16739 1 275 . 1 1 27 27 GLY HA2 H 1 3.26 0.02 . 2 . . . . 27 GLY HA2 . 16739 1 276 . 1 1 27 27 GLY HA3 H 1 3.58 0.02 . 2 . . . . 27 GLY HA3 . 16739 1 277 . 1 1 27 27 GLY C C 13 169.8 0.3 . 1 . . . . 27 GLY C . 16739 1 278 . 1 1 27 27 GLY CA C 13 45.3 0.3 . 1 . . . . 27 GLY CA . 16739 1 279 . 1 1 27 27 GLY N N 15 107.4 0.3 . 1 . . . . 27 GLY N . 16739 1 280 . 1 1 28 28 GLY H H 1 8.34 0.02 . 1 . . . . 28 GLY H . 16739 1 281 . 1 1 28 28 GLY HA2 H 1 4.26 0.02 . 2 . . . . 28 GLY HA2 . 16739 1 282 . 1 1 28 28 GLY HA3 H 1 4.88 0.02 . 2 . . . . 28 GLY HA3 . 16739 1 283 . 1 1 28 28 GLY C C 13 170.6 0.3 . 1 . . . . 28 GLY C . 16739 1 284 . 1 1 28 28 GLY CA C 13 47.2 0.3 . 1 . . . . 28 GLY CA . 16739 1 285 . 1 1 28 28 GLY N N 15 107.7 0.3 . 1 . . . . 28 GLY N . 16739 1 286 . 1 1 29 29 TYR H H 1 8.49 0.02 . 1 . . . . 29 TYR H . 16739 1 287 . 1 1 29 29 TYR HA H 1 4.80 0.02 . 1 . . . . 29 TYR HA . 16739 1 288 . 1 1 29 29 TYR HB2 H 1 3.09 0.02 . 2 . . . . 29 TYR HB2 . 16739 1 289 . 1 1 29 29 TYR HB3 H 1 3.25 0.02 . 2 . . . . 29 TYR HB3 . 16739 1 290 . 1 1 29 29 TYR C C 13 173.2 0.3 . 1 . . . . 29 TYR C . 16739 1 291 . 1 1 29 29 TYR CA C 13 55.8 0.3 . 1 . . . . 29 TYR CA . 16739 1 292 . 1 1 29 29 TYR CB C 13 40.5 0.3 . 1 . . . . 29 TYR CB . 16739 1 293 . 1 1 29 29 TYR N N 15 116.9 0.3 . 1 . . . . 29 TYR N . 16739 1 294 . 1 1 30 30 CYS H H 1 8.99 0.02 . 1 . . . . 30 CYS H . 16739 1 295 . 1 1 30 30 CYS HA H 1 5.49 0.02 . 1 . . . . 30 CYS HA . 16739 1 296 . 1 1 30 30 CYS HB2 H 1 2.58 0.02 . 2 . . . . 30 CYS HB2 . 16739 1 297 . 1 1 30 30 CYS HB3 H 1 2.89 0.02 . 2 . . . . 30 CYS HB3 . 16739 1 298 . 1 1 30 30 CYS C C 13 174.7 0.3 . 1 . . . . 30 CYS C . 16739 1 299 . 1 1 30 30 CYS CA C 13 52.9 0.3 . 1 . . . . 30 CYS CA . 16739 1 300 . 1 1 30 30 CYS CB C 13 36.3 0.3 . 1 . . . . 30 CYS CB . 16739 1 301 . 1 1 30 30 CYS N N 15 118.2 0.3 . 1 . . . . 30 CYS N . 16739 1 302 . 1 1 31 31 ALA H H 1 9.46 0.02 . 1 . . . . 31 ALA H . 16739 1 303 . 1 1 31 31 ALA HA H 1 4.71 0.02 . 1 . . . . 31 ALA HA . 16739 1 304 . 1 1 31 31 ALA HB1 H 1 1.46 0.02 . 1 . . . . 31 ALA HB . 16739 1 305 . 1 1 31 31 ALA HB2 H 1 1.46 0.02 . 1 . . . . 31 ALA HB . 16739 1 306 . 1 1 31 31 ALA HB3 H 1 1.46 0.02 . 1 . . . . 31 ALA HB . 16739 1 307 . 1 1 31 31 ALA C C 13 176.7 0.3 . 1 . . . . 31 ALA C . 16739 1 308 . 1 1 31 31 ALA CA C 13 50.9 0.3 . 1 . . . . 31 ALA CA . 16739 1 309 . 1 1 31 31 ALA CB C 13 22.0 0.3 . 1 . . . . 31 ALA CB . 16739 1 310 . 1 1 31 31 ALA N N 15 130.3 0.3 . 1 . . . . 31 ALA N . 16739 1 311 . 1 1 32 32 LYS H H 1 8.88 0.02 . 1 . . . . 32 LYS H . 16739 1 312 . 1 1 32 32 LYS HA H 1 4.00 0.02 . 1 . . . . 32 LYS HA . 16739 1 313 . 1 1 32 32 LYS HB2 H 1 1.87 0.02 . 2 . . . . 32 LYS HB2 . 16739 1 314 . 1 1 32 32 LYS HB3 H 1 1.95 0.02 . 2 . . . . 32 LYS HB3 . 16739 1 315 . 1 1 32 32 LYS HD2 H 1 1.71 0.02 . 1 . . . . 32 LYS HD2 . 16739 1 316 . 1 1 32 32 LYS HG2 H 1 1.42 0.02 . 2 . . . . 32 LYS HG2 . 16739 1 317 . 1 1 32 32 LYS HG3 H 1 1.50 0.02 . 2 . . . . 32 LYS HG3 . 16739 1 318 . 1 1 32 32 LYS C C 13 177.9 0.3 . 1 . . . . 32 LYS C . 16739 1 319 . 1 1 32 32 LYS CA C 13 57.0 0.3 . 1 . . . . 32 LYS CA . 16739 1 320 . 1 1 32 32 LYS CB C 13 30.6 0.3 . 1 . . . . 32 LYS CB . 16739 1 321 . 1 1 32 32 LYS CD C 13 29.0 0.3 . 1 . . . . 32 LYS CD . 16739 1 322 . 1 1 32 32 LYS CE C 13 42.1 0.3 . 1 . . . . 32 LYS CE . 16739 1 323 . 1 1 32 32 LYS CG C 13 24.8 0.3 . 1 . . . . 32 LYS CG . 16739 1 324 . 1 1 32 32 LYS N N 15 120.7 0.3 . 1 . . . . 32 LYS N . 16739 1 325 . 1 1 33 33 GLY H H 1 8.81 0.02 . 1 . . . . 33 GLY H . 16739 1 326 . 1 1 33 33 GLY HA2 H 1 3.65 0.02 . 2 . . . . 33 GLY HA2 . 16739 1 327 . 1 1 33 33 GLY HA3 H 1 4.27 0.02 . 2 . . . . 33 GLY HA3 . 16739 1 328 . 1 1 33 33 GLY C C 13 174.1 0.3 . 1 . . . . 33 GLY C . 16739 1 329 . 1 1 33 33 GLY CA C 13 45.7 0.3 . 1 . . . . 33 GLY CA . 16739 1 330 . 1 1 33 33 GLY N N 15 112.5 0.3 . 1 . . . . 33 GLY N . 16739 1 331 . 1 1 34 34 GLY H H 1 7.59 0.02 . 1 . . . . 34 GLY H . 16739 1 332 . 1 1 34 34 GLY HA2 H 1 3.18 0.02 . 2 . . . . 34 GLY HA2 . 16739 1 333 . 1 1 34 34 GLY HA3 H 1 3.58 0.02 . 2 . . . . 34 GLY HA3 . 16739 1 334 . 1 1 34 34 GLY C C 13 174.1 0.3 . 1 . . . . 34 GLY C . 16739 1 335 . 1 1 34 34 GLY CA C 13 44.8 0.3 . 1 . . . . 34 GLY CA . 16739 1 336 . 1 1 34 34 GLY N N 15 104.1 0.3 . 1 . . . . 34 GLY N . 16739 1 337 . 1 1 35 35 PHE H H 1 7.54 0.02 . 1 . . . . 35 PHE H . 16739 1 338 . 1 1 35 35 PHE HA H 1 4.30 0.02 . 1 . . . . 35 PHE HA . 16739 1 339 . 1 1 35 35 PHE HB2 H 1 2.71 0.02 . 2 . . . . 35 PHE HB2 . 16739 1 340 . 1 1 35 35 PHE HB3 H 1 3.31 0.02 . 2 . . . . 35 PHE HB3 . 16739 1 341 . 1 1 35 35 PHE C C 13 175.3 0.3 . 1 . . . . 35 PHE C . 16739 1 342 . 1 1 35 35 PHE CA C 13 60.0 0.3 . 1 . . . . 35 PHE CA . 16739 1 343 . 1 1 35 35 PHE CB C 13 41.3 0.3 . 1 . . . . 35 PHE CB . 16739 1 344 . 1 1 35 35 PHE N N 15 117.8 0.3 . 1 . . . . 35 PHE N . 16739 1 345 . 1 1 36 36 VAL H H 1 7.63 0.02 . 1 . . . . 36 VAL H . 16739 1 346 . 1 1 36 36 VAL HA H 1 4.36 0.02 . 1 . . . . 36 VAL HA . 16739 1 347 . 1 1 36 36 VAL HB H 1 1.74 0.02 . 1 . . . . 36 VAL HB . 16739 1 348 . 1 1 36 36 VAL HG11 H 1 0.82 0.02 . 1 . . . . 36 VAL HG1 . 16739 1 349 . 1 1 36 36 VAL HG12 H 1 0.82 0.02 . 1 . . . . 36 VAL HG1 . 16739 1 350 . 1 1 36 36 VAL HG13 H 1 0.82 0.02 . 1 . . . . 36 VAL HG1 . 16739 1 351 . 1 1 36 36 VAL HG21 H 1 0.94 0.02 . 1 . . . . 36 VAL HG2 . 16739 1 352 . 1 1 36 36 VAL HG22 H 1 0.94 0.02 . 1 . . . . 36 VAL HG2 . 16739 1 353 . 1 1 36 36 VAL HG23 H 1 0.94 0.02 . 1 . . . . 36 VAL HG2 . 16739 1 354 . 1 1 36 36 VAL C C 13 174.4 0.3 . 1 . . . . 36 VAL C . 16739 1 355 . 1 1 36 36 VAL CA C 13 60.9 0.3 . 1 . . . . 36 VAL CA . 16739 1 356 . 1 1 36 36 VAL CB C 13 35.4 0.3 . 1 . . . . 36 VAL CB . 16739 1 357 . 1 1 36 36 VAL CG1 C 13 20.4 0.3 . 1 . . . . 36 VAL CG1 . 16739 1 358 . 1 1 36 36 VAL CG2 C 13 21.5 0.3 . 1 . . . . 36 VAL CG2 . 16739 1 359 . 1 1 36 36 VAL N N 15 118.9 0.3 . 1 . . . . 36 VAL N . 16739 1 360 . 1 1 37 37 CYS H H 1 8.80 0.02 . 1 . . . . 37 CYS H . 16739 1 361 . 1 1 37 37 CYS HA H 1 5.13 0.02 . 1 . . . . 37 CYS HA . 16739 1 362 . 1 1 37 37 CYS HB2 H 1 2.59 0.02 . 2 . . . . 37 CYS HB2 . 16739 1 363 . 1 1 37 37 CYS HB3 H 1 3.27 0.02 . 2 . . . . 37 CYS HB3 . 16739 1 364 . 1 1 37 37 CYS C C 13 172.3 0.3 . 1 . . . . 37 CYS C . 16739 1 365 . 1 1 37 37 CYS CA C 13 55.5 0.3 . 1 . . . . 37 CYS CA . 16739 1 366 . 1 1 37 37 CYS CB C 13 35.3 0.3 . 1 . . . . 37 CYS CB . 16739 1 367 . 1 1 37 37 CYS N N 15 127.4 0.3 . 1 . . . . 37 CYS N . 16739 1 368 . 1 1 38 38 LYS H H 1 9.06 0.02 . 1 . . . . 38 LYS H . 16739 1 369 . 1 1 38 38 LYS HA H 1 4.33 0.02 . 1 . . . . 38 LYS HA . 16739 1 370 . 1 1 38 38 LYS HB2 H 1 1.57 0.02 . 2 . . . . 38 LYS HB2 . 16739 1 371 . 1 1 38 38 LYS HB3 H 1 1.16 0.02 . 2 . . . . 38 LYS HB3 . 16739 1 372 . 1 1 38 38 LYS HD2 H 1 1.24 0.02 . 1 . . . . 38 LYS HD2 . 16739 1 373 . 1 1 38 38 LYS HE2 H 1 3.01 0.02 . 1 . . . . 38 LYS HE2 . 16739 1 374 . 1 1 38 38 LYS HG2 H 1 1.16 0.02 . 2 . . . . 38 LYS HG2 . 16739 1 375 . 1 1 38 38 LYS HG3 H 1 1.23 0.02 . 2 . . . . 38 LYS HG3 . 16739 1 376 . 1 1 38 38 LYS C C 13 173.6 0.3 . 1 . . . . 38 LYS C . 16739 1 377 . 1 1 38 38 LYS CA C 13 54.6 0.3 . 1 . . . . 38 LYS CA . 16739 1 378 . 1 1 38 38 LYS CB C 13 34.1 0.3 . 1 . . . . 38 LYS CB . 16739 1 379 . 1 1 38 38 LYS CD C 13 28.8 0.3 . 1 . . . . 38 LYS CD . 16739 1 380 . 1 1 38 38 LYS CE C 13 42.3 0.3 . 1 . . . . 38 LYS CE . 16739 1 381 . 1 1 38 38 LYS CG C 13 24.8 0.3 . 1 . . . . 38 LYS CG . 16739 1 382 . 1 1 38 38 LYS N N 15 137.0 0.3 . 1 . . . . 38 LYS N . 16739 1 383 . 1 1 39 39 CYS H H 1 7.96 0.02 . 1 . . . . 39 CYS H . 16739 1 384 . 1 1 39 39 CYS HA H 1 5.32 0.02 . 1 . . . . 39 CYS HA . 16739 1 385 . 1 1 39 39 CYS HB2 H 1 1.32 0.02 . 2 . . . . 39 CYS HB2 . 16739 1 386 . 1 1 39 39 CYS HB3 H 1 1.98 0.02 . 2 . . . . 39 CYS HB3 . 16739 1 387 . 1 1 39 39 CYS C C 13 174.2 0.3 . 1 . . . . 39 CYS C . 16739 1 388 . 1 1 39 39 CYS CA C 13 51.2 0.3 . 1 . . . . 39 CYS CA . 16739 1 389 . 1 1 39 39 CYS CB C 13 34.6 0.3 . 1 . . . . 39 CYS CB . 16739 1 390 . 1 1 39 39 CYS N N 15 122.2 0.3 . 1 . . . . 39 CYS N . 16739 1 391 . 1 1 40 40 TYR H H 1 8.28 0.02 . 1 . . . . 40 TYR H . 16739 1 392 . 1 1 40 40 TYR HA H 1 4.63 0.02 . 1 . . . . 40 TYR HA . 16739 1 393 . 1 1 40 40 TYR HB2 H 1 2.75 0.02 . 2 . . . . 40 TYR HB2 . 16739 1 394 . 1 1 40 40 TYR HB3 H 1 3.24 0.02 . 2 . . . . 40 TYR HB3 . 16739 1 395 . 1 1 40 40 TYR CA C 13 58.3 0.3 . 1 . . . . 40 TYR CA . 16739 1 396 . 1 1 40 40 TYR CB C 13 40.2 0.3 . 1 . . . . 40 TYR CB . 16739 1 397 . 1 1 40 40 TYR N N 15 126.9 0.3 . 1 . . . . 40 TYR N . 16739 1 stop_ save_