################################### # 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_chemical_shift_set _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set _Assigned_chem_shift_list.Entry_ID 16768 _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 'Derived from the file: /home/hanmin/EGF/run89/data/15N/15N.ppm' _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' . . . 16768 1 2 '3D CBCA(CO)NH' . . . 16768 1 3 '3D C(CO)NH' . . . 16768 1 4 '3D HNCO' . . . 16768 1 5 '3D HNCA' . . . 16768 1 6 '3D HNCACB' . . . 16768 1 7 '3D HBHA(CO)NH' . . . 16768 1 8 '3D HN(CO)CA' . . . 16768 1 9 '3D HCCH-TOCSY' . . . 16768 1 10 '3D 1H-13C NOESY' . . . 16768 1 11 '3D 1H-15N NOESY' . . . 16768 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 $Aria . . 16768 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 ASN HA H 1 4.638 0.002 . 1 . . . . 1 ASN HA . 16768 1 2 . 1 1 1 1 ASN HB2 H 1 2.66 0.002 . 1 . . . . 1 ASN HB1 . 16768 1 3 . 1 1 1 1 ASN HB3 H 1 2.731 0.002 . 2 . . . . 1 ASN HB2 . 16768 1 4 . 1 1 1 1 ASN C C 13 175.2 0.002 . 1 . . . . 1 ASN C . 16768 1 5 . 1 1 1 1 ASN CA C 13 53.73 0.002 . 1 . . . . 1 ASN CA . 16768 1 6 . 1 1 1 1 ASN CB C 13 39.08 0.002 . 1 . . . . 1 ASN CB . 16768 1 7 . 1 1 2 2 SER H H 1 8.186 0.002 . 1 . . . . 2 SER H . 16768 1 8 . 1 1 2 2 SER HA H 1 4.495 0.002 . 1 . . . . 2 SER HA . 16768 1 9 . 1 1 2 2 SER HB2 H 1 3.766 0.002 . 1 . . . . 2 SER HB1 . 16768 1 10 . 1 1 2 2 SER HB3 H 1 3.882 0.002 . 2 . . . . 2 SER HB2 . 16768 1 11 . 1 1 2 2 SER C C 13 174.3 0.002 . 1 . . . . 2 SER C . 16768 1 12 . 1 1 2 2 SER CA C 13 58.75 0.002 . 1 . . . . 2 SER CA . 16768 1 13 . 1 1 2 2 SER CB C 13 64.38 0.002 . 1 . . . . 2 SER CB . 16768 1 14 . 1 1 2 2 SER N N 15 119.5 0.002 . 1 . . . . 2 SER N . 16768 1 15 . 1 1 3 3 ASP H H 1 8.2 0.002 . 1 . . . . 3 ASP H . 16768 1 16 . 1 1 3 3 ASP HA H 1 4.558 0.002 . 1 . . . . 3 ASP HA . 16768 1 17 . 1 1 3 3 ASP HB2 H 1 2.542 0.002 . 1 . . . . 3 ASP HB1 . 16768 1 18 . 1 1 3 3 ASP HB3 H 1 2.59 0.002 . 2 . . . . 3 ASP HB2 . 16768 1 19 . 1 1 3 3 ASP C C 13 176.0 0.002 . 1 . . . . 3 ASP C . 16768 1 20 . 1 1 3 3 ASP CA C 13 54.91 0.002 . 1 . . . . 3 ASP CA . 16768 1 21 . 1 1 3 3 ASP CB C 13 41.41 0.002 . 1 . . . . 3 ASP CB . 16768 1 22 . 1 1 3 3 ASP N N 15 126.3 0.002 . 1 . . . . 3 ASP N . 16768 1 23 . 1 1 4 4 SER H H 1 8.133 0.002 . 1 . . . . 4 SER H . 16768 1 24 . 1 1 4 4 SER CA C 13 58.45 0.002 . 1 . . . . 4 SER CA . 16768 1 25 . 1 1 4 4 SER CB C 13 64.85 0.002 . 1 . . . . 4 SER CB . 16768 1 26 . 1 1 4 4 SER N N 15 118.8 0.002 . 1 . . . . 4 SER N . 16768 1 27 . 1 1 7 7 PRO HA H 1 4.311 0.002 . 1 . . . . 7 PRO HA . 16768 1 28 . 1 1 7 7 PRO HB2 H 1 1.843 0.002 . 1 . . . . 7 PRO HB1 . 16768 1 29 . 1 1 7 7 PRO HB3 H 1 1.988 0.002 . 2 . . . . 7 PRO HB2 . 16768 1 30 . 1 1 7 7 PRO HD2 H 1 2.542 0.002 . 2 . . . . 7 PRO HD2 . 16768 1 31 . 1 1 7 7 PRO HG2 H 1 1.557 0.002 . 2 . . . . 7 PRO HG2 . 16768 1 32 . 1 1 7 7 PRO C C 13 177.1 0.002 . 1 . . . . 7 PRO C . 16768 1 33 . 1 1 7 7 PRO CA C 13 62.3 0.002 . 1 . . . . 7 PRO CA . 16768 1 34 . 1 1 7 7 PRO CB C 13 31.98 0.002 . 1 . . . . 7 PRO CB . 16768 1 35 . 1 1 7 7 PRO CG C 13 27.9 0.002 . 1 . . . . 7 PRO CG . 16768 1 36 . 1 1 8 8 LEU H H 1 8.247 0.002 . 1 . . . . 8 LEU H . 16768 1 37 . 1 1 8 8 LEU HA H 1 3.897 0.002 . 1 . . . . 8 LEU HA . 16768 1 38 . 1 1 8 8 LEU HB2 H 1 1.427 0.002 . 2 . . . . 8 LEU HB2 . 16768 1 39 . 1 1 8 8 LEU HD11 H 1 0.7258 0.002 . 2 . . . . 8 LEU HD1 . 16768 1 40 . 1 1 8 8 LEU HD12 H 1 0.7258 0.002 . 2 . . . . 8 LEU HD1 . 16768 1 41 . 1 1 8 8 LEU HD13 H 1 0.7258 0.002 . 2 . . . . 8 LEU HD1 . 16768 1 42 . 1 1 8 8 LEU HD21 H 1 0.6962 0.002 . 2 . . . . 8 LEU HD2 . 16768 1 43 . 1 1 8 8 LEU HD22 H 1 0.6962 0.002 . 2 . . . . 8 LEU HD2 . 16768 1 44 . 1 1 8 8 LEU HD23 H 1 0.6962 0.002 . 2 . . . . 8 LEU HD2 . 16768 1 45 . 1 1 8 8 LEU HG H 1 1.577 0.002 . 1 . . . . 8 LEU HG . 16768 1 46 . 1 1 8 8 LEU C C 13 178.4 0.002 . 1 . . . . 8 LEU C . 16768 1 47 . 1 1 8 8 LEU CA C 13 57.57 0.002 . 1 . . . . 8 LEU CA . 16768 1 48 . 1 1 8 8 LEU CB C 13 41.87 0.002 . 1 . . . . 8 LEU CB . 16768 1 49 . 1 1 8 8 LEU CD1 C 13 24.66 0.002 . 2 . . . . 8 LEU CD1 . 16768 1 50 . 1 1 8 8 LEU CD2 C 13 24.18 0.002 . 2 . . . . 8 LEU CD2 . 16768 1 51 . 1 1 8 8 LEU CG C 13 27.15 0.002 . 1 . . . . 8 LEU CG . 16768 1 52 . 1 1 8 8 LEU N N 15 127.2 0.002 . 1 . . . . 8 LEU N . 16768 1 53 . 1 1 9 9 SER H H 1 7.878 0.002 . 1 . . . . 9 SER H . 16768 1 54 . 1 1 9 9 SER HA H 1 3.993 0.002 . 1 . . . . 9 SER HA . 16768 1 55 . 1 1 9 9 SER HB2 H 1 3.703 0.002 . 1 . . . . 9 SER HB1 . 16768 1 56 . 1 1 9 9 SER HB3 H 1 3.778 0.002 . 2 . . . . 9 SER HB2 . 16768 1 57 . 1 1 9 9 SER CA C 13 59.44 0.002 . 1 . . . . 9 SER CA . 16768 1 58 . 1 1 9 9 SER CB C 13 62.45 0.002 . 1 . . . . 9 SER CB . 16768 1 59 . 1 1 9 9 SER N N 15 116.3 0.002 . 1 . . . . 9 SER N . 16768 1 60 . 1 1 10 10 HIS HA H 1 4.312 0.002 . 1 . . . . 10 HIS HA . 16768 1 61 . 1 1 10 10 HIS HB2 H 1 2.44 0.002 . 1 . . . . 10 HIS HB1 . 16768 1 62 . 1 1 10 10 HIS HB3 H 1 3.141 0.002 . 2 . . . . 10 HIS HB2 . 16768 1 63 . 1 1 10 10 HIS C C 13 174.9 0.002 . 1 . . . . 10 HIS C . 16768 1 64 . 1 1 10 10 HIS CA C 13 56.62 0.002 . 1 . . . . 10 HIS CA . 16768 1 65 . 1 1 10 10 HIS CB C 13 31.11 0.002 . 1 . . . . 10 HIS CB . 16768 1 66 . 1 1 11 11 ASP H H 1 7.808 0.002 . 1 . . . . 11 ASP H . 16768 1 67 . 1 1 11 11 ASP HA H 1 4.342 0.002 . 1 . . . . 11 ASP HA . 16768 1 68 . 1 1 11 11 ASP HB2 H 1 2.485 0.002 . 1 . . . . 11 ASP HB1 . 16768 1 69 . 1 1 11 11 ASP HB3 H 1 2.57 0.002 . 2 . . . . 11 ASP HB2 . 16768 1 70 . 1 1 11 11 ASP C C 13 177.2 0.002 . 1 . . . . 11 ASP C . 16768 1 71 . 1 1 11 11 ASP CA C 13 56.43 0.002 . 1 . . . . 11 ASP CA . 16768 1 72 . 1 1 11 11 ASP CB C 13 40.91 0.002 . 1 . . . . 11 ASP CB . 16768 1 73 . 1 1 11 11 ASP N N 15 127.5 0.002 . 1 . . . . 11 ASP N . 16768 1 74 . 1 1 12 12 GLY H H 1 8.478 0.002 . 1 . . . . 12 GLY H . 16768 1 75 . 1 1 12 12 GLY HA2 H 1 3.728 0.002 . 1 . . . . 12 GLY HA1 . 16768 1 76 . 1 1 12 12 GLY C C 13 174.2 0.002 . 1 . . . . 12 GLY C . 16768 1 77 . 1 1 12 12 GLY CA C 13 46.39 0.002 . 1 . . . . 12 GLY CA . 16768 1 78 . 1 1 12 12 GLY N N 15 115.4 0.002 . 1 . . . . 12 GLY N . 16768 1 79 . 1 1 13 13 TYR H H 1 7.623 0.002 . 1 . . . . 13 TYR H . 16768 1 80 . 1 1 13 13 TYR HA H 1 3.827 0.002 . 1 . . . . 13 TYR HA . 16768 1 81 . 1 1 13 13 TYR HB2 H 1 2.736 0.002 . 1 . . . . 13 TYR HB1 . 16768 1 82 . 1 1 13 13 TYR HB3 H 1 2.839 0.002 . 2 . . . . 13 TYR HB2 . 16768 1 83 . 1 1 13 13 TYR C C 13 175.7 0.002 . 1 . . . . 13 TYR C . 16768 1 84 . 1 1 13 13 TYR CA C 13 61.64 0.002 . 1 . . . . 13 TYR CA . 16768 1 85 . 1 1 13 13 TYR CB C 13 39.96 0.002 . 1 . . . . 13 TYR CB . 16768 1 86 . 1 1 13 13 TYR N N 15 124.9 0.002 . 1 . . . . 13 TYR N . 16768 1 87 . 1 1 14 14 CYS H H 1 8.506 0.002 . 1 . . . . 14 CYS H . 16768 1 88 . 1 1 14 14 CYS HA H 1 4.181 0.002 . 1 . . . . 14 CYS HA . 16768 1 89 . 1 1 14 14 CYS HB2 H 1 2.202 0.002 . 1 . . . . 14 CYS HB1 . 16768 1 90 . 1 1 14 14 CYS HB3 H 1 2.484 0.002 . 2 . . . . 14 CYS HB2 . 16768 1 91 . 1 1 14 14 CYS C C 13 173.7 0.002 . 1 . . . . 14 CYS C . 16768 1 92 . 1 1 14 14 CYS CA C 13 53.15 0.002 . 1 . . . . 14 CYS CA . 16768 1 93 . 1 1 14 14 CYS CB C 13 38.48 0.002 . 1 . . . . 14 CYS CB . 16768 1 94 . 1 1 14 14 CYS N N 15 118.7 0.002 . 1 . . . . 14 CYS N . 16768 1 95 . 1 1 15 15 LEU H H 1 7.912 0.002 . 1 . . . . 15 LEU H . 16768 1 96 . 1 1 15 15 LEU HA H 1 3.863 0.002 . 1 . . . . 15 LEU HA . 16768 1 97 . 1 1 15 15 LEU HB2 H 1 0.5254 0.002 . 1 . . . . 15 LEU HB1 . 16768 1 98 . 1 1 15 15 LEU HB3 H 1 1.28 0.002 . 2 . . . . 15 LEU HB2 . 16768 1 99 . 1 1 15 15 LEU HD11 H 1 0.4644 0.002 . 2 . . . . 15 LEU HD1 . 16768 1 100 . 1 1 15 15 LEU HD12 H 1 0.4644 0.002 . 2 . . . . 15 LEU HD1 . 16768 1 101 . 1 1 15 15 LEU HD13 H 1 0.4644 0.002 . 2 . . . . 15 LEU HD1 . 16768 1 102 . 1 1 15 15 LEU HG H 1 1.374 0.002 . 1 . . . . 15 LEU HG . 16768 1 103 . 1 1 15 15 LEU C C 13 176.5 0.002 . 1 . . . . 15 LEU C . 16768 1 104 . 1 1 15 15 LEU CA C 13 54.63 0.002 . 1 . . . . 15 LEU CA . 16768 1 105 . 1 1 15 15 LEU CB C 13 42.54 0.002 . 1 . . . . 15 LEU CB . 16768 1 106 . 1 1 15 15 LEU CD1 C 13 25.18 0.002 . 2 . . . . 15 LEU CD1 . 16768 1 107 . 1 1 15 15 LEU CD2 C 13 22.55 0.002 . 2 . . . . 15 LEU CD2 . 16768 1 108 . 1 1 15 15 LEU CG C 13 27.69 0.002 . 1 . . . . 15 LEU CG . 16768 1 109 . 1 1 15 15 LEU N N 15 127.7 0.002 . 1 . . . . 15 LEU N . 16768 1 110 . 1 1 16 16 HIS H H 1 8.475 0.002 . 1 . . . . 16 HIS H . 16768 1 111 . 1 1 16 16 HIS HA H 1 3.726 0.002 . 1 . . . . 16 HIS HA . 16768 1 112 . 1 1 16 16 HIS HB2 H 1 1.993 0.002 . 1 . . . . 16 HIS HB1 . 16768 1 113 . 1 1 16 16 HIS HB3 H 1 2.156 0.002 . 2 . . . . 16 HIS HB2 . 16768 1 114 . 1 1 16 16 HIS C C 13 176.0 0.002 . 1 . . . . 16 HIS C . 16768 1 115 . 1 1 16 16 HIS CA C 13 57.35 0.002 . 1 . . . . 16 HIS CA . 16768 1 116 . 1 1 16 16 HIS CB C 13 25.58 0.002 . 1 . . . . 16 HIS CB . 16768 1 117 . 1 1 16 16 HIS N N 15 118.0 0.002 . 1 . . . . 16 HIS N . 16768 1 118 . 1 1 17 17 ASP H H 1 8.638 0.002 . 1 . . . . 17 ASP H . 16768 1 119 . 1 1 17 17 ASP HA H 1 4.066 0.002 . 1 . . . . 17 ASP HA . 16768 1 120 . 1 1 17 17 ASP HB2 H 1 2.779 0.002 . 2 . . . . 17 ASP HB2 . 16768 1 121 . 1 1 17 17 ASP C C 13 175.1 0.002 . 1 . . . . 17 ASP C . 16768 1 122 . 1 1 17 17 ASP CA C 13 56.15 0.002 . 1 . . . . 17 ASP CA . 16768 1 123 . 1 1 17 17 ASP CB C 13 39.13 0.002 . 1 . . . . 17 ASP CB . 16768 1 124 . 1 1 17 17 ASP N N 15 117.2 0.002 . 1 . . . . 17 ASP N . 16768 1 125 . 1 1 18 18 GLY H H 1 7.143 0.002 . 1 . . . . 18 GLY H . 16768 1 126 . 1 1 18 18 GLY HA2 H 1 4.161 0.002 . 1 . . . . 18 GLY HA1 . 16768 1 127 . 1 1 18 18 GLY HA3 H 1 3.259 0.002 . 2 . . . . 18 GLY HA3 . 16768 1 128 . 1 1 18 18 GLY C C 13 171.6 0.002 . 1 . . . . 18 GLY C . 16768 1 129 . 1 1 18 18 GLY CA C 13 45.95 0.002 . 1 . . . . 18 GLY CA . 16768 1 130 . 1 1 18 18 GLY N N 15 108.3 0.002 . 1 . . . . 18 GLY N . 16768 1 131 . 1 1 19 19 VAL H H 1 7.902 0.002 . 1 . . . . 19 VAL H . 16768 1 132 . 1 1 19 19 VAL HA H 1 4.184 0.002 . 1 . . . . 19 VAL HA . 16768 1 133 . 1 1 19 19 VAL HB H 1 1.881 0.002 . 1 . . . . 19 VAL HB . 16768 1 134 . 1 1 19 19 VAL HG11 H 1 0.8774 0.002 . 2 . . . . 19 VAL HG1 . 16768 1 135 . 1 1 19 19 VAL HG12 H 1 0.8774 0.002 . 2 . . . . 19 VAL HG1 . 16768 1 136 . 1 1 19 19 VAL HG13 H 1 0.8774 0.002 . 2 . . . . 19 VAL HG1 . 16768 1 137 . 1 1 19 19 VAL C C 13 174.8 0.002 . 1 . . . . 19 VAL C . 16768 1 138 . 1 1 19 19 VAL CA C 13 61.67 0.002 . 1 . . . . 19 VAL CA . 16768 1 139 . 1 1 19 19 VAL CB C 13 35.26 0.002 . 1 . . . . 19 VAL CB . 16768 1 140 . 1 1 19 19 VAL N N 15 123.4 0.002 . 1 . . . . 19 VAL N . 16768 1 141 . 1 1 20 20 CYS H H 1 8.85 0.002 . 1 . . . . 20 CYS H . 16768 1 142 . 1 1 20 20 CYS HA H 1 4.937 0.002 . 1 . . . . 20 CYS HA . 16768 1 143 . 1 1 20 20 CYS HB2 H 1 3.134 0.002 . 2 . . . . 20 CYS HB2 . 16768 1 144 . 1 1 20 20 CYS C C 13 173.5 0.002 . 1 . . . . 20 CYS C . 16768 1 145 . 1 1 20 20 CYS CA C 13 57.39 0.002 . 1 . . . . 20 CYS CA . 16768 1 146 . 1 1 20 20 CYS CB C 13 40.01 0.002 . 1 . . . . 20 CYS CB . 16768 1 147 . 1 1 20 20 CYS N N 15 133.1 0.002 . 1 . . . . 20 CYS N . 16768 1 148 . 1 1 21 21 MET H H 1 9.237 0.002 . 1 . . . . 21 MET H . 16768 1 149 . 1 1 21 21 MET HA H 1 4.777 0.002 . 1 . . . . 21 MET HA . 16768 1 150 . 1 1 21 21 MET HB2 H 1 1.858 0.002 . 1 . . . . 21 MET HB1 . 16768 1 151 . 1 1 21 21 MET HB3 H 1 1.908 0.002 . 2 . . . . 21 MET HB2 . 16768 1 152 . 1 1 21 21 MET HG2 H 1 2.288 0.002 . 1 . . . . 21 MET HG1 . 16768 1 153 . 1 1 21 21 MET HG3 H 1 2.358 0.002 . 2 . . . . 21 MET HG2 . 16768 1 154 . 1 1 21 21 MET C C 13 173.1 0.002 . 1 . . . . 21 MET C . 16768 1 155 . 1 1 21 21 MET CA C 13 55.17 0.002 . 1 . . . . 21 MET CA . 16768 1 156 . 1 1 21 21 MET CB C 13 36.51 0.002 . 1 . . . . 21 MET CB . 16768 1 157 . 1 1 21 21 MET CG C 13 31.19 0.002 . 1 . . . . 21 MET CG . 16768 1 158 . 1 1 21 21 MET N N 15 131.9 0.002 . 1 . . . . 21 MET N . 16768 1 159 . 1 1 22 22 TYR H H 1 8.654 0.002 . 1 . . . . 22 TYR H . 16768 1 160 . 1 1 22 22 TYR HA H 1 4.344 0.002 . 1 . . . . 22 TYR HA . 16768 1 161 . 1 1 22 22 TYR HB2 H 1 2.479 0.002 . 2 . . . . 22 TYR HB2 . 16768 1 162 . 1 1 22 22 TYR C C 13 174.5 0.002 . 1 . . . . 22 TYR C . 16768 1 163 . 1 1 22 22 TYR CA C 13 56.96 0.002 . 1 . . . . 22 TYR CA . 16768 1 164 . 1 1 22 22 TYR CB C 13 39.47 0.002 . 1 . . . . 22 TYR CB . 16768 1 165 . 1 1 22 22 TYR N N 15 126.9 0.002 . 1 . . . . 22 TYR N . 16768 1 166 . 1 1 23 23 ILE H H 1 8.26 0.002 . 1 . . . . 23 ILE H . 16768 1 167 . 1 1 23 23 ILE HA H 1 3.864 0.002 . 1 . . . . 23 ILE HA . 16768 1 168 . 1 1 23 23 ILE HB H 1 1.614 0.002 . 1 . . . . 23 ILE HB . 16768 1 169 . 1 1 23 23 ILE HD11 H 1 0.5528 0.002 . 1 . . . . 23 ILE HD1 . 16768 1 170 . 1 1 23 23 ILE HD12 H 1 0.5528 0.002 . 1 . . . . 23 ILE HD1 . 16768 1 171 . 1 1 23 23 ILE HD13 H 1 0.5528 0.002 . 1 . . . . 23 ILE HD1 . 16768 1 172 . 1 1 23 23 ILE HG12 H 1 0.9671 0.002 . 1 . . . . 23 ILE HG11 . 16768 1 173 . 1 1 23 23 ILE HG13 H 1 1.229 0.002 . 2 . . . . 23 ILE HG12 . 16768 1 174 . 1 1 23 23 ILE HG21 H 1 0.648 0.002 . 1 . . . . 23 ILE HG2 . 16768 1 175 . 1 1 23 23 ILE HG22 H 1 0.648 0.002 . 1 . . . . 23 ILE HG2 . 16768 1 176 . 1 1 23 23 ILE HG23 H 1 0.648 0.002 . 1 . . . . 23 ILE HG2 . 16768 1 177 . 1 1 23 23 ILE C C 13 175.8 0.002 . 1 . . . . 23 ILE C . 16768 1 178 . 1 1 23 23 ILE CA C 13 59.17 0.002 . 1 . . . . 23 ILE CA . 16768 1 179 . 1 1 23 23 ILE CB C 13 37.01 0.002 . 1 . . . . 23 ILE CB . 16768 1 180 . 1 1 23 23 ILE CD1 C 13 12.7 0.002 . 1 . . . . 23 ILE CD . 16768 1 181 . 1 1 23 23 ILE CG1 C 13 26.62 0.002 . 1 . . . . 23 ILE CG1 . 16768 1 182 . 1 1 23 23 ILE CG2 C 13 18.28 0.002 . 1 . . . . 23 ILE CG2 . 16768 1 183 . 1 1 23 23 ILE N N 15 133.1 0.002 . 1 . . . . 23 ILE N . 16768 1 184 . 1 1 24 24 GLU H H 1 8.272 0.002 . 1 . . . . 24 GLU H . 16768 1 185 . 1 1 24 24 GLU HA H 1 3.238 0.002 . 1 . . . . 24 GLU HA . 16768 1 186 . 1 1 24 24 GLU HB2 H 1 1.797 0.002 . 1 . . . . 24 GLU HB1 . 16768 1 187 . 1 1 24 24 GLU HB3 H 1 1.867 0.002 . 2 . . . . 24 GLU HB2 . 16768 1 188 . 1 1 24 24 GLU HG2 H 1 2.079 0.002 . 1 . . . . 24 GLU HG1 . 16768 1 189 . 1 1 24 24 GLU HG3 H 1 2.203 0.002 . 2 . . . . 24 GLU HG2 . 16768 1 190 . 1 1 24 24 GLU C C 13 178.8 0.002 . 1 . . . . 24 GLU C . 16768 1 191 . 1 1 24 24 GLU CA C 13 60.24 0.002 . 1 . . . . 24 GLU CA . 16768 1 192 . 1 1 24 24 GLU CB C 13 29.51 0.002 . 1 . . . . 24 GLU CB . 16768 1 193 . 1 1 24 24 GLU CG C 13 35.93 0.002 . 1 . . . . 24 GLU CG . 16768 1 194 . 1 1 24 24 GLU N N 15 133.5 0.002 . 1 . . . . 24 GLU N . 16768 1 195 . 1 1 25 25 ALA H H 1 8.651 0.002 . 1 . . . . 25 ALA H . 16768 1 196 . 1 1 25 25 ALA HA H 1 3.879 0.002 . 1 . . . . 25 ALA HA . 16768 1 197 . 1 1 25 25 ALA HB1 H 1 1.176 0.002 . 1 . . . . 25 ALA HB . 16768 1 198 . 1 1 25 25 ALA HB2 H 1 1.176 0.002 . 1 . . . . 25 ALA HB . 16768 1 199 . 1 1 25 25 ALA HB3 H 1 1.176 0.002 . 1 . . . . 25 ALA HB . 16768 1 200 . 1 1 25 25 ALA C C 13 178.1 0.002 . 1 . . . . 25 ALA C . 16768 1 201 . 1 1 25 25 ALA CA C 13 54.82 0.002 . 1 . . . . 25 ALA CA . 16768 1 202 . 1 1 25 25 ALA CB C 13 18.69 0.002 . 1 . . . . 25 ALA CB . 16768 1 203 . 1 1 25 25 ALA N N 15 122.7 0.002 . 1 . . . . 25 ALA N . 16768 1 204 . 1 1 26 26 LEU H H 1 6.356 0.002 . 1 . . . . 26 LEU H . 16768 1 205 . 1 1 26 26 LEU HA H 1 4.262 0.002 . 1 . . . . 26 LEU HA . 16768 1 206 . 1 1 26 26 LEU HB2 H 1 1.094 0.002 . 1 . . . . 26 LEU HB1 . 16768 1 207 . 1 1 26 26 LEU HB3 H 1 1.402 0.002 . 2 . . . . 26 LEU HB2 . 16768 1 208 . 1 1 26 26 LEU HD11 H 1 0.694 0.002 . 2 . . . . 26 LEU HD1 . 16768 1 209 . 1 1 26 26 LEU HD12 H 1 0.694 0.002 . 2 . . . . 26 LEU HD1 . 16768 1 210 . 1 1 26 26 LEU HD13 H 1 0.694 0.002 . 2 . . . . 26 LEU HD1 . 16768 1 211 . 1 1 26 26 LEU HD21 H 1 0.6516 0.002 . 2 . . . . 26 LEU HD2 . 16768 1 212 . 1 1 26 26 LEU HD22 H 1 0.6516 0.002 . 2 . . . . 26 LEU HD2 . 16768 1 213 . 1 1 26 26 LEU HD23 H 1 0.6516 0.002 . 2 . . . . 26 LEU HD2 . 16768 1 214 . 1 1 26 26 LEU HG H 1 1.3 0.002 . 1 . . . . 26 LEU HG . 16768 1 215 . 1 1 26 26 LEU C C 13 175.4 0.002 . 1 . . . . 26 LEU C . 16768 1 216 . 1 1 26 26 LEU CA C 13 53.51 0.002 . 1 . . . . 26 LEU CA . 16768 1 217 . 1 1 26 26 LEU CB C 13 44.24 0.002 . 1 . . . . 26 LEU CB . 16768 1 218 . 1 1 26 26 LEU CD1 C 13 25.55 0.002 . 2 . . . . 26 LEU CD1 . 16768 1 219 . 1 1 26 26 LEU CD2 C 13 22.23 0.002 . 2 . . . . 26 LEU CD2 . 16768 1 220 . 1 1 26 26 LEU CG C 13 26.88 0.002 . 1 . . . . 26 LEU CG . 16768 1 221 . 1 1 26 26 LEU N N 15 116.2 0.002 . 1 . . . . 26 LEU N . 16768 1 222 . 1 1 27 27 ASP H H 1 7.678 0.002 . 1 . . . . 27 ASP H . 16768 1 223 . 1 1 27 27 ASP HA H 1 3.82 0.002 . 1 . . . . 27 ASP HA . 16768 1 224 . 1 1 27 27 ASP HB2 H 1 2.247 0.002 . 1 . . . . 27 ASP HB1 . 16768 1 225 . 1 1 27 27 ASP HB3 H 1 2.988 0.002 . 2 . . . . 27 ASP HB2 . 16768 1 226 . 1 1 27 27 ASP C C 13 173.4 0.002 . 1 . . . . 27 ASP C . 16768 1 227 . 1 1 27 27 ASP CA C 13 54.77 0.002 . 1 . . . . 27 ASP CA . 16768 1 228 . 1 1 27 27 ASP CB C 13 39.85 0.002 . 1 . . . . 27 ASP CB . 16768 1 229 . 1 1 27 27 ASP N N 15 124.0 0.002 . 1 . . . . 27 ASP N . 16768 1 230 . 1 1 28 28 LYS H H 1 6.649 0.002 . 1 . . . . 28 LYS H . 16768 1 231 . 1 1 28 28 LYS HA H 1 4.529 0.002 . 1 . . . . 28 LYS HA . 16768 1 232 . 1 1 28 28 LYS HB2 H 1 1.432 0.002 . 1 . . . . 28 LYS HB1 . 16768 1 233 . 1 1 28 28 LYS HB3 H 1 1.535 0.002 . 2 . . . . 28 LYS HB2 . 16768 1 234 . 1 1 28 28 LYS HD2 H 1 1.527 0.002 . 2 . . . . 28 LYS HD2 . 16768 1 235 . 1 1 28 28 LYS HE2 H 1 2.817 0.002 . 1 . . . . 28 LYS HE1 . 16768 1 236 . 1 1 28 28 LYS HE3 H 1 2.859 0.002 . 2 . . . . 28 LYS HE2 . 16768 1 237 . 1 1 28 28 LYS HG2 H 1 1.11 0.002 . 2 . . . . 28 LYS HG2 . 16768 1 238 . 1 1 28 28 LYS C C 13 173.4 0.002 . 1 . . . . 28 LYS C . 16768 1 239 . 1 1 28 28 LYS CA C 13 54.49 0.002 . 1 . . . . 28 LYS CA . 16768 1 240 . 1 1 28 28 LYS CB C 13 37.12 0.002 . 1 . . . . 28 LYS CB . 16768 1 241 . 1 1 28 28 LYS CD C 13 29.51 0.002 . 1 . . . . 28 LYS CD . 16768 1 242 . 1 1 28 28 LYS CE C 13 42.22 0.002 . 1 . . . . 28 LYS CE . 16768 1 243 . 1 1 28 28 LYS CG C 13 24.03 0.002 . 1 . . . . 28 LYS CG . 16768 1 244 . 1 1 28 28 LYS N N 15 118.1 0.002 . 1 . . . . 28 LYS N . 16768 1 245 . 1 1 29 29 TYR H H 1 8.429 0.002 . 1 . . . . 29 TYR H . 16768 1 246 . 1 1 29 29 TYR HA H 1 4.975 0.002 . 1 . . . . 29 TYR HA . 16768 1 247 . 1 1 29 29 TYR HB2 H 1 2.474 0.002 . 1 . . . . 29 TYR HB1 . 16768 1 248 . 1 1 29 29 TYR HB3 H 1 2.596 0.002 . 2 . . . . 29 TYR HB2 . 16768 1 249 . 1 1 29 29 TYR C C 13 175.0 0.002 . 1 . . . . 29 TYR C . 16768 1 250 . 1 1 29 29 TYR CA C 13 57.97 0.002 . 1 . . . . 29 TYR CA . 16768 1 251 . 1 1 29 29 TYR CB C 13 39.49 0.002 . 1 . . . . 29 TYR CB . 16768 1 252 . 1 1 29 29 TYR N N 15 125.2 0.002 . 1 . . . . 29 TYR N . 16768 1 253 . 1 1 30 30 ALA H H 1 9.201 0.002 . 1 . . . . 30 ALA H . 16768 1 254 . 1 1 30 30 ALA HA H 1 4.765 0.002 . 1 . . . . 30 ALA HA . 16768 1 255 . 1 1 30 30 ALA HB1 H 1 1.254 0.002 . 1 . . . . 30 ALA HB . 16768 1 256 . 1 1 30 30 ALA HB2 H 1 1.254 0.002 . 1 . . . . 30 ALA HB . 16768 1 257 . 1 1 30 30 ALA HB3 H 1 1.254 0.002 . 1 . . . . 30 ALA HB . 16768 1 258 . 1 1 30 30 ALA C C 13 175.6 0.002 . 1 . . . . 30 ALA C . 16768 1 259 . 1 1 30 30 ALA CA C 13 51.01 0.002 . 1 . . . . 30 ALA CA . 16768 1 260 . 1 1 30 30 ALA CB C 13 23.3 0.002 . 1 . . . . 30 ALA CB . 16768 1 261 . 1 1 30 30 ALA N N 15 129.9 0.002 . 1 . . . . 30 ALA N . 16768 1 262 . 1 1 31 31 CYS H H 1 8.741 0.002 . 1 . . . . 31 CYS H . 16768 1 263 . 1 1 31 31 CYS HA H 1 5.104 0.002 . 1 . . . . 31 CYS HA . 16768 1 264 . 1 1 31 31 CYS HB2 H 1 2.45 0.002 . 1 . . . . 31 CYS HB1 . 16768 1 265 . 1 1 31 31 CYS HB3 H 1 2.683 0.002 . 2 . . . . 31 CYS HB2 . 16768 1 266 . 1 1 31 31 CYS C C 13 174.2 0.002 . 1 . . . . 31 CYS C . 16768 1 267 . 1 1 31 31 CYS CA C 13 54.65 0.002 . 1 . . . . 31 CYS CA . 16768 1 268 . 1 1 31 31 CYS CB C 13 43.41 0.002 . 1 . . . . 31 CYS CB . 16768 1 269 . 1 1 31 31 CYS N N 15 119.3 0.002 . 1 . . . . 31 CYS N . 16768 1 270 . 1 1 32 32 ASN H H 1 9.379 0.002 . 1 . . . . 32 ASN H . 16768 1 271 . 1 1 32 32 ASN HA H 1 4.897 0.002 . 1 . . . . 32 ASN HA . 16768 1 272 . 1 1 32 32 ASN HB2 H 1 2.605 0.002 . 1 . . . . 32 ASN HB1 . 16768 1 273 . 1 1 32 32 ASN HB3 H 1 2.862 0.002 . 2 . . . . 32 ASN HB2 . 16768 1 274 . 1 1 32 32 ASN C C 13 175.5 0.002 . 1 . . . . 32 ASN C . 16768 1 275 . 1 1 32 32 ASN CA C 13 52.14 0.002 . 1 . . . . 32 ASN CA . 16768 1 276 . 1 1 32 32 ASN CB C 13 38.92 0.002 . 1 . . . . 32 ASN CB . 16768 1 277 . 1 1 32 32 ASN N N 15 128.4 0.002 . 1 . . . . 32 ASN N . 16768 1 278 . 1 1 33 33 CYS H H 1 8.765 0.002 . 1 . . . . 33 CYS H . 16768 1 279 . 1 1 33 33 CYS HA H 1 4.619 0.002 . 1 . . . . 33 CYS HA . 16768 1 280 . 1 1 33 33 CYS HB2 H 1 2.549 0.002 . 1 . . . . 33 CYS HB1 . 16768 1 281 . 1 1 33 33 CYS HB3 H 1 3.167 0.002 . 2 . . . . 33 CYS HB2 . 16768 1 282 . 1 1 33 33 CYS C C 13 175.4 0.002 . 1 . . . . 33 CYS C . 16768 1 283 . 1 1 33 33 CYS CA C 13 54.42 0.002 . 1 . . . . 33 CYS CA . 16768 1 284 . 1 1 33 33 CYS CB C 13 38.2 0.002 . 1 . . . . 33 CYS CB . 16768 1 285 . 1 1 33 33 CYS N N 15 128.6 0.002 . 1 . . . . 33 CYS N . 16768 1 286 . 1 1 34 34 VAL H H 1 8.55 0.002 . 1 . . . . 34 VAL H . 16768 1 287 . 1 1 34 34 VAL HA H 1 3.93 0.002 . 1 . . . . 34 VAL HA . 16768 1 288 . 1 1 34 34 VAL HB H 1 2.002 0.002 . 1 . . . . 34 VAL HB . 16768 1 289 . 1 1 34 34 VAL HG11 H 1 1.001 0.002 . 2 . . . . 34 VAL HG1 . 16768 1 290 . 1 1 34 34 VAL HG12 H 1 1.001 0.002 . 2 . . . . 34 VAL HG1 . 16768 1 291 . 1 1 34 34 VAL HG13 H 1 1.001 0.002 . 2 . . . . 34 VAL HG1 . 16768 1 292 . 1 1 34 34 VAL HG21 H 1 0.9329 0.002 . 2 . . . . 34 VAL HG2 . 16768 1 293 . 1 1 34 34 VAL HG22 H 1 0.9329 0.002 . 2 . . . . 34 VAL HG2 . 16768 1 294 . 1 1 34 34 VAL HG23 H 1 0.9329 0.002 . 2 . . . . 34 VAL HG2 . 16768 1 295 . 1 1 34 34 VAL C C 13 175.0 0.002 . 1 . . . . 34 VAL C . 16768 1 296 . 1 1 34 34 VAL CA C 13 62.27 0.002 . 1 . . . . 34 VAL CA . 16768 1 297 . 1 1 34 34 VAL CB C 13 32.72 0.002 . 1 . . . . 34 VAL CB . 16768 1 298 . 1 1 34 34 VAL CG1 C 13 21.57 0.002 . 1 . . . . 34 VAL CG1 . 16768 1 299 . 1 1 34 34 VAL N N 15 126.3 0.002 . 1 . . . . 34 VAL N . 16768 1 300 . 1 1 35 35 VAL H H 1 7.661 0.002 . 1 . . . . 35 VAL H . 16768 1 301 . 1 1 35 35 VAL HA H 1 3.357 0.002 . 1 . . . . 35 VAL HA . 16768 1 302 . 1 1 35 35 VAL HB H 1 1.435 0.002 . 1 . . . . 35 VAL HB . 16768 1 303 . 1 1 35 35 VAL HG11 H 1 0.5585 0.002 . 2 . . . . 35 VAL HG1 . 16768 1 304 . 1 1 35 35 VAL HG12 H 1 0.5585 0.002 . 2 . . . . 35 VAL HG1 . 16768 1 305 . 1 1 35 35 VAL HG13 H 1 0.5585 0.002 . 2 . . . . 35 VAL HG1 . 16768 1 306 . 1 1 35 35 VAL HG21 H 1 0.3901 0.002 . 2 . . . . 35 VAL HG2 . 16768 1 307 . 1 1 35 35 VAL HG22 H 1 0.3901 0.002 . 2 . . . . 35 VAL HG2 . 16768 1 308 . 1 1 35 35 VAL HG23 H 1 0.3901 0.002 . 2 . . . . 35 VAL HG2 . 16768 1 309 . 1 1 35 35 VAL C C 13 174.8 0.002 . 1 . . . . 35 VAL C . 16768 1 310 . 1 1 35 35 VAL CA C 13 64.45 0.002 . 1 . . . . 35 VAL CA . 16768 1 311 . 1 1 35 35 VAL CB C 13 31.22 0.002 . 1 . . . . 35 VAL CB . 16768 1 312 . 1 1 35 35 VAL CG1 C 13 20.61 0.002 . 1 . . . . 35 VAL CG1 . 16768 1 313 . 1 1 35 35 VAL N N 15 125.6 0.002 . 1 . . . . 35 VAL N . 16768 1 314 . 1 1 36 36 GLY H H 1 8.068 0.002 . 1 . . . . 36 GLY H . 16768 1 315 . 1 1 36 36 GLY HA2 H 1 3.713 0.002 . 1 . . . . 36 GLY HA1 . 16768 1 316 . 1 1 36 36 GLY HA3 H 1 2.761 0.002 . 2 . . . . 36 GLY HA3 . 16768 1 317 . 1 1 36 36 GLY C C 13 174.4 0.002 . 1 . . . . 36 GLY C . 16768 1 318 . 1 1 36 36 GLY CA C 13 44.61 0.002 . 1 . . . . 36 GLY CA . 16768 1 319 . 1 1 36 36 GLY N N 15 115.5 0.002 . 1 . . . . 36 GLY N . 16768 1 320 . 1 1 37 37 TYR H H 1 8.056 0.002 . 1 . . . . 37 TYR H . 16768 1 321 . 1 1 37 37 TYR HA H 1 5.289 0.002 . 1 . . . . 37 TYR HA . 16768 1 322 . 1 1 37 37 TYR HB2 H 1 2.717 0.002 . 1 . . . . 37 TYR HB1 . 16768 1 323 . 1 1 37 37 TYR HB3 H 1 2.835 0.002 . 2 . . . . 37 TYR HB2 . 16768 1 324 . 1 1 37 37 TYR C C 13 174.2 0.002 . 1 . . . . 37 TYR C . 16768 1 325 . 1 1 37 37 TYR CA C 13 58.21 0.002 . 1 . . . . 37 TYR CA . 16768 1 326 . 1 1 37 37 TYR CB C 13 41.28 0.002 . 1 . . . . 37 TYR CB . 16768 1 327 . 1 1 37 37 TYR N N 15 125.7 0.002 . 1 . . . . 37 TYR N . 16768 1 328 . 1 1 38 38 ILE H H 1 9.143 0.002 . 1 . . . . 38 ILE H . 16768 1 329 . 1 1 38 38 ILE HA H 1 4.708 0.002 . 1 . . . . 38 ILE HA . 16768 1 330 . 1 1 38 38 ILE HB H 1 1.939 0.002 . 1 . . . . 38 ILE HB . 16768 1 331 . 1 1 38 38 ILE HD11 H 1 0.7324 0.002 . 1 . . . . 38 ILE HD1 . 16768 1 332 . 1 1 38 38 ILE HD12 H 1 0.7324 0.002 . 1 . . . . 38 ILE HD1 . 16768 1 333 . 1 1 38 38 ILE HD13 H 1 0.7324 0.002 . 1 . . . . 38 ILE HD1 . 16768 1 334 . 1 1 38 38 ILE HG12 H 1 1.283 0.002 . 2 . . . . 38 ILE HG12 . 16768 1 335 . 1 1 38 38 ILE HG21 H 1 0.7692 0.002 . 1 . . . . 38 ILE HG2 . 16768 1 336 . 1 1 38 38 ILE HG22 H 1 0.7692 0.002 . 1 . . . . 38 ILE HG2 . 16768 1 337 . 1 1 38 38 ILE HG23 H 1 0.7692 0.002 . 1 . . . . 38 ILE HG2 . 16768 1 338 . 1 1 38 38 ILE C C 13 174.7 0.002 . 1 . . . . 38 ILE C . 16768 1 339 . 1 1 38 38 ILE CA C 13 60.3 0.002 . 1 . . . . 38 ILE CA . 16768 1 340 . 1 1 38 38 ILE CB C 13 43.3 0.002 . 1 . . . . 38 ILE CB . 16768 1 341 . 1 1 38 38 ILE CD1 C 13 14.07 0.002 . 1 . . . . 38 ILE CD . 16768 1 342 . 1 1 38 38 ILE CG1 C 13 26.54 0.002 . 1 . . . . 38 ILE CG1 . 16768 1 343 . 1 1 38 38 ILE CG2 C 13 18.37 0.002 . 1 . . . . 38 ILE CG2 . 16768 1 344 . 1 1 38 38 ILE N N 15 120.0 0.002 . 1 . . . . 38 ILE N . 16768 1 345 . 1 1 39 39 GLY H H 1 7.902 0.002 . 1 . . . . 39 GLY H . 16768 1 346 . 1 1 39 39 GLY HA2 H 1 4.831 0.002 . 1 . . . . 39 GLY HA1 . 16768 1 347 . 1 1 39 39 GLY HA3 H 1 3.827 0.002 . 2 . . . . 39 GLY HA3 . 16768 1 348 . 1 1 39 39 GLY C C 13 176.7 0.002 . 1 . . . . 39 GLY C . 16768 1 349 . 1 1 39 39 GLY CA C 13 43.77 0.002 . 1 . . . . 39 GLY CA . 16768 1 350 . 1 1 39 39 GLY N N 15 110.7 0.002 . 1 . . . . 39 GLY N . 16768 1 351 . 1 1 40 40 GLU H H 1 9.327 0.002 . 1 . . . . 40 GLU H . 16768 1 352 . 1 1 40 40 GLU HA H 1 4.065 0.002 . 1 . . . . 40 GLU HA . 16768 1 353 . 1 1 40 40 GLU HB2 H 1 2.072 0.002 . 2 . . . . 40 GLU HB2 . 16768 1 354 . 1 1 40 40 GLU HG2 H 1 2.265 0.002 . 1 . . . . 40 GLU HG1 . 16768 1 355 . 1 1 40 40 GLU HG3 H 1 2.423 0.002 . 2 . . . . 40 GLU HG2 . 16768 1 356 . 1 1 40 40 GLU C C 13 176.8 0.002 . 1 . . . . 40 GLU C . 16768 1 357 . 1 1 40 40 GLU CA C 13 60.0 0.002 . 1 . . . . 40 GLU CA . 16768 1 358 . 1 1 40 40 GLU CB C 13 29.47 0.002 . 1 . . . . 40 GLU CB . 16768 1 359 . 1 1 40 40 GLU CG C 13 36.5 0.002 . 1 . . . . 40 GLU CG . 16768 1 360 . 1 1 40 40 GLU N N 15 127.6 0.002 . 1 . . . . 40 GLU N . 16768 1 361 . 1 1 41 41 ARG H H 1 8.328 0.002 . 1 . . . . 41 ARG H . 16768 1 362 . 1 1 41 41 ARG HA H 1 4.674 0.002 . 1 . . . . 41 ARG HA . 16768 1 363 . 1 1 41 41 ARG HB2 H 1 0.7638 0.002 . 1 . . . . 41 ARG HB1 . 16768 1 364 . 1 1 41 41 ARG HB3 H 1 2.099 0.002 . 2 . . . . 41 ARG HB2 . 16768 1 365 . 1 1 41 41 ARG HD2 H 1 2.608 0.002 . 1 . . . . 41 ARG HD1 . 16768 1 366 . 1 1 41 41 ARG HD3 H 1 2.698 0.002 . 2 . . . . 41 ARG HD2 . 16768 1 367 . 1 1 41 41 ARG HG2 H 1 1.159 0.002 . 2 . . . . 41 ARG HG2 . 16768 1 368 . 1 1 41 41 ARG C C 13 175.7 0.002 . 1 . . . . 41 ARG C . 16768 1 369 . 1 1 41 41 ARG CA C 13 54.85 0.002 . 1 . . . . 41 ARG CA . 16768 1 370 . 1 1 41 41 ARG CB C 13 30.58 0.002 . 1 . . . . 41 ARG CB . 16768 1 371 . 1 1 41 41 ARG CD C 13 43.6 0.002 . 1 . . . . 41 ARG CD . 16768 1 372 . 1 1 41 41 ARG CG C 13 26.63 0.002 . 1 . . . . 41 ARG CG . 16768 1 373 . 1 1 41 41 ARG N N 15 118.7 0.002 . 1 . . . . 41 ARG N . 16768 1 374 . 1 1 42 42 CYS H H 1 7.649 0.002 . 1 . . . . 42 CYS H . 16768 1 375 . 1 1 42 42 CYS HA H 1 3.841 0.002 . 1 . . . . 42 CYS HA . 16768 1 376 . 1 1 42 42 CYS HB2 H 1 3.003 0.002 . 1 . . . . 42 CYS HB1 . 16768 1 377 . 1 1 42 42 CYS HB3 H 1 3.337 0.002 . 2 . . . . 42 CYS HB2 . 16768 1 378 . 1 1 42 42 CYS C C 13 174.9 0.002 . 1 . . . . 42 CYS C . 16768 1 379 . 1 1 42 42 CYS CA C 13 54.67 0.002 . 1 . . . . 42 CYS CA . 16768 1 380 . 1 1 42 42 CYS CB C 13 36.88 0.002 . 1 . . . . 42 CYS CB . 16768 1 381 . 1 1 42 42 CYS N N 15 116.1 0.002 . 1 . . . . 42 CYS N . 16768 1 382 . 1 1 43 43 GLN H H 1 9.618 0.002 . 1 . . . . 43 GLN H . 16768 1 383 . 1 1 43 43 GLN HA H 1 3.927 0.002 . 1 . . . . 43 GLN HA . 16768 1 384 . 1 1 43 43 GLN HB2 H 1 1.273 0.002 . 1 . . . . 43 GLN HB1 . 16768 1 385 . 1 1 43 43 GLN HB3 H 1 1.623 0.002 . 2 . . . . 43 GLN HB2 . 16768 1 386 . 1 1 43 43 GLN HG2 H 1 1.753 0.002 . 2 . . . . 43 GLN HG2 . 16768 1 387 . 1 1 43 43 GLN C C 13 175.7 0.002 . 1 . . . . 43 GLN C . 16768 1 388 . 1 1 43 43 GLN CA C 13 57.61 0.002 . 1 . . . . 43 GLN CA . 16768 1 389 . 1 1 43 43 GLN CB C 13 28.71 0.002 . 1 . . . . 43 GLN CB . 16768 1 390 . 1 1 43 43 GLN CG C 13 31.63 0.002 . 1 . . . . 43 GLN CG . 16768 1 391 . 1 1 43 43 GLN N N 15 121.0 0.002 . 1 . . . . 43 GLN N . 16768 1 392 . 1 1 44 44 TYR H H 1 8.586 0.002 . 1 . . . . 44 TYR H . 16768 1 393 . 1 1 44 44 TYR HA H 1 5.075 0.002 . 1 . . . . 44 TYR HA . 16768 1 394 . 1 1 44 44 TYR HB2 H 1 2.524 0.002 . 1 . . . . 44 TYR HB1 . 16768 1 395 . 1 1 44 44 TYR HB3 H 1 3.018 0.002 . 2 . . . . 44 TYR HB2 . 16768 1 396 . 1 1 44 44 TYR C C 13 175.1 0.002 . 1 . . . . 44 TYR C . 16768 1 397 . 1 1 44 44 TYR CA C 13 55.67 0.002 . 1 . . . . 44 TYR CA . 16768 1 398 . 1 1 44 44 TYR CB C 13 40.07 0.002 . 1 . . . . 44 TYR CB . 16768 1 399 . 1 1 44 44 TYR N N 15 125.6 0.002 . 1 . . . . 44 TYR N . 16768 1 400 . 1 1 45 45 ARG H H 1 8.61 0.002 . 1 . . . . 45 ARG H . 16768 1 401 . 1 1 45 45 ARG HA H 1 4.149 0.002 . 1 . . . . 45 ARG HA . 16768 1 402 . 1 1 45 45 ARG HB2 H 1 1.24 0.002 . 1 . . . . 45 ARG HB1 . 16768 1 403 . 1 1 45 45 ARG HB3 H 1 1.416 0.002 . 2 . . . . 45 ARG HB2 . 16768 1 404 . 1 1 45 45 ARG HD2 H 1 2.22 0.002 . 1 . . . . 45 ARG HD1 . 16768 1 405 . 1 1 45 45 ARG HD3 H 1 2.364 0.002 . 2 . . . . 45 ARG HD2 . 16768 1 406 . 1 1 45 45 ARG HG2 H 1 0.917 0.002 . 1 . . . . 45 ARG HG1 . 16768 1 407 . 1 1 45 45 ARG HG3 H 1 1.361 0.002 . 2 . . . . 45 ARG HG2 . 16768 1 408 . 1 1 45 45 ARG C C 13 176.1 0.002 . 1 . . . . 45 ARG C . 16768 1 409 . 1 1 45 45 ARG CA C 13 56.49 0.002 . 1 . . . . 45 ARG CA . 16768 1 410 . 1 1 45 45 ARG CB C 13 31.93 0.002 . 1 . . . . 45 ARG CB . 16768 1 411 . 1 1 45 45 ARG CD C 13 43.06 0.002 . 1 . . . . 45 ARG CD . 16768 1 412 . 1 1 45 45 ARG CG C 13 28.24 0.002 . 1 . . . . 45 ARG CG . 16768 1 413 . 1 1 45 45 ARG N N 15 125.0 0.002 . 1 . . . . 45 ARG N . 16768 1 414 . 1 1 46 46 ASP H H 1 8.173 0.002 . 1 . . . . 46 ASP H . 16768 1 415 . 1 1 46 46 ASP HA H 1 4.417 0.002 . 1 . . . . 46 ASP HA . 16768 1 416 . 1 1 46 46 ASP HB2 H 1 2.06 0.002 . 1 . . . . 46 ASP HB1 . 16768 1 417 . 1 1 46 46 ASP HB3 H 1 2.588 0.002 . 2 . . . . 46 ASP HB2 . 16768 1 418 . 1 1 46 46 ASP C C 13 176.0 0.002 . 1 . . . . 46 ASP C . 16768 1 419 . 1 1 46 46 ASP CA C 13 52.75 0.002 . 1 . . . . 46 ASP CA . 16768 1 420 . 1 1 46 46 ASP CB C 13 40.74 0.002 . 1 . . . . 46 ASP CB . 16768 1 421 . 1 1 46 46 ASP N N 15 126.5 0.002 . 1 . . . . 46 ASP N . 16768 1 422 . 1 1 47 47 LEU H H 1 8.102 0.002 . 1 . . . . 47 LEU H . 16768 1 423 . 1 1 47 47 LEU HA H 1 3.982 0.002 . 1 . . . . 47 LEU HA . 16768 1 424 . 1 1 47 47 LEU HB2 H 1 1.443 0.002 . 1 . . . . 47 LEU HB1 . 16768 1 425 . 1 1 47 47 LEU HB3 H 1 1.586 0.002 . 2 . . . . 47 LEU HB2 . 16768 1 426 . 1 1 47 47 LEU HD11 H 1 0.7825 0.002 . 2 . . . . 47 LEU HD1 . 16768 1 427 . 1 1 47 47 LEU HD12 H 1 0.7825 0.002 . 2 . . . . 47 LEU HD1 . 16768 1 428 . 1 1 47 47 LEU HD13 H 1 0.7825 0.002 . 2 . . . . 47 LEU HD1 . 16768 1 429 . 1 1 47 47 LEU HD21 H 1 0.6656 0.002 . 2 . . . . 47 LEU HD2 . 16768 1 430 . 1 1 47 47 LEU HD22 H 1 0.6656 0.002 . 2 . . . . 47 LEU HD2 . 16768 1 431 . 1 1 47 47 LEU HD23 H 1 0.6656 0.002 . 2 . . . . 47 LEU HD2 . 16768 1 432 . 1 1 47 47 LEU HG H 1 1.579 0.002 . 1 . . . . 47 LEU HG . 16768 1 433 . 1 1 47 47 LEU C C 13 178.4 0.002 . 1 . . . . 47 LEU C . 16768 1 434 . 1 1 47 47 LEU CA C 13 57.93 0.002 . 1 . . . . 47 LEU CA . 16768 1 435 . 1 1 47 47 LEU CB C 13 41.61 0.002 . 1 . . . . 47 LEU CB . 16768 1 436 . 1 1 47 47 LEU CD1 C 13 25.14 0.002 . 2 . . . . 47 LEU CD1 . 16768 1 437 . 1 1 47 47 LEU CD2 C 13 23.05 0.002 . 2 . . . . 47 LEU CD2 . 16768 1 438 . 1 1 47 47 LEU CG C 13 27.04 0.002 . 1 . . . . 47 LEU CG . 16768 1 439 . 1 1 47 47 LEU N N 15 130.0 0.002 . 1 . . . . 47 LEU N . 16768 1 440 . 1 1 48 48 LYS H H 1 8.038 0.002 . 1 . . . . 48 LYS H . 16768 1 441 . 1 1 48 48 LYS HA H 1 3.891 0.002 . 1 . . . . 48 LYS HA . 16768 1 442 . 1 1 48 48 LYS HB2 H 1 1.465 0.002 . 1 . . . . 48 LYS HB1 . 16768 1 443 . 1 1 48 48 LYS HB3 H 1 1.636 0.002 . 2 . . . . 48 LYS HB2 . 16768 1 444 . 1 1 48 48 LYS HD2 H 1 1.209 0.002 . 2 . . . . 48 LYS HD2 . 16768 1 445 . 1 1 48 48 LYS HE2 H 1 2.496 0.002 . 1 . . . . 48 LYS HE1 . 16768 1 446 . 1 1 48 48 LYS HE3 H 1 2.541 0.002 . 2 . . . . 48 LYS HE2 . 16768 1 447 . 1 1 48 48 LYS HG2 H 1 1.197 0.002 . 2 . . . . 48 LYS HG2 . 16768 1 448 . 1 1 48 48 LYS C C 13 177.8 0.002 . 1 . . . . 48 LYS C . 16768 1 449 . 1 1 48 48 LYS CA C 13 57.91 0.002 . 1 . . . . 48 LYS CA . 16768 1 450 . 1 1 48 48 LYS CB C 13 31.68 0.002 . 1 . . . . 48 LYS CB . 16768 1 451 . 1 1 48 48 LYS CD C 13 28.75 0.002 . 1 . . . . 48 LYS CD . 16768 1 452 . 1 1 48 48 LYS CG C 13 24.67 0.002 . 1 . . . . 48 LYS CG . 16768 1 453 . 1 1 48 48 LYS N N 15 121.9 0.002 . 1 . . . . 48 LYS N . 16768 1 454 . 1 1 49 49 TRP H H 1 7.393 0.002 . 1 . . . . 49 TRP H . 16768 1 455 . 1 1 49 49 TRP HA H 1 3.999 0.002 . 1 . . . . 49 TRP HA . 16768 1 456 . 1 1 49 49 TRP HB2 H 1 2.958 0.002 . 2 . . . . 49 TRP HB2 . 16768 1 457 . 1 1 49 49 TRP C C 13 177.6 0.002 . 1 . . . . 49 TRP C . 16768 1 458 . 1 1 49 49 TRP CA C 13 60.12 0.002 . 1 . . . . 49 TRP CA . 16768 1 459 . 1 1 49 49 TRP CB C 13 29.62 0.002 . 1 . . . . 49 TRP CB . 16768 1 460 . 1 1 49 49 TRP N N 15 123.5 0.002 . 1 . . . . 49 TRP N . 16768 1 461 . 1 1 50 50 TRP H H 1 7.359 0.002 . 1 . . . . 50 TRP H . 16768 1 462 . 1 1 50 50 TRP HA H 1 3.925 0.002 . 1 . . . . 50 TRP HA . 16768 1 463 . 1 1 50 50 TRP HB2 H 1 2.883 0.002 . 1 . . . . 50 TRP HB1 . 16768 1 464 . 1 1 50 50 TRP HB3 H 1 3.039 0.002 . 2 . . . . 50 TRP HB2 . 16768 1 465 . 1 1 50 50 TRP C C 13 176.8 0.002 . 1 . . . . 50 TRP C . 16768 1 466 . 1 1 50 50 TRP CA C 13 59.12 0.002 . 1 . . . . 50 TRP CA . 16768 1 467 . 1 1 50 50 TRP CB C 13 29.32 0.002 . 1 . . . . 50 TRP CB . 16768 1 468 . 1 1 50 50 TRP N N 15 121.4 0.002 . 1 . . . . 50 TRP N . 16768 1 469 . 1 1 51 51 GLU H H 1 7.576 0.002 . 1 . . . . 51 GLU H . 16768 1 470 . 1 1 51 51 GLU HA H 1 4.017 0.002 . 1 . . . . 51 GLU HA . 16768 1 471 . 1 1 51 51 GLU HB2 H 1 1.846 0.002 . 2 . . . . 51 GLU HB2 . 16768 1 472 . 1 1 51 51 GLU HG2 H 1 2.02 0.002 . 2 . . . . 51 GLU HG2 . 16768 1 473 . 1 1 51 51 GLU C C 13 176.3 0.002 . 1 . . . . 51 GLU C . 16768 1 474 . 1 1 51 51 GLU CA C 13 57.75 0.002 . 1 . . . . 51 GLU CA . 16768 1 475 . 1 1 51 51 GLU CB C 13 30.26 0.002 . 1 . . . . 51 GLU CB . 16768 1 476 . 1 1 51 51 GLU CG C 13 36.46 0.002 . 1 . . . . 51 GLU CG . 16768 1 477 . 1 1 51 51 GLU N N 15 123.2 0.002 . 1 . . . . 51 GLU N . 16768 1 478 . 1 1 52 52 LEU H H 1 7.391 0.002 . 1 . . . . 52 LEU H . 16768 1 479 . 1 1 52 52 LEU HA H 1 4.147 0.002 . 1 . . . . 52 LEU HA . 16768 1 480 . 1 1 52 52 LEU HB2 H 1 1.403 0.002 . 2 . . . . 52 LEU HB2 . 16768 1 481 . 1 1 52 52 LEU HD11 H 1 0.6991 0.002 . 2 . . . . 52 LEU HD1 . 16768 1 482 . 1 1 52 52 LEU HD12 H 1 0.6991 0.002 . 2 . . . . 52 LEU HD1 . 16768 1 483 . 1 1 52 52 LEU HD13 H 1 0.6991 0.002 . 2 . . . . 52 LEU HD1 . 16768 1 484 . 1 1 52 52 LEU C C 13 176.1 0.002 . 1 . . . . 52 LEU C . 16768 1 485 . 1 1 52 52 LEU CA C 13 55.07 0.002 . 1 . . . . 52 LEU CA . 16768 1 486 . 1 1 52 52 LEU CB C 13 42.09 0.002 . 1 . . . . 52 LEU CB . 16768 1 487 . 1 1 52 52 LEU CD1 C 13 25.32 0.002 . 2 . . . . 52 LEU CD1 . 16768 1 488 . 1 1 52 52 LEU CD2 C 13 23.2 0.002 . 2 . . . . 52 LEU CD2 . 16768 1 489 . 1 1 52 52 LEU CG C 13 26.74 0.002 . 1 . . . . 52 LEU CG . 16768 1 490 . 1 1 52 52 LEU N N 15 124.2 0.002 . 1 . . . . 52 LEU N . 16768 1 491 . 1 1 53 53 ARG H H 1 7.332 0.002 . 1 . . . . 53 ARG H . 16768 1 492 . 1 1 53 53 ARG CA C 13 57.57 0.002 . 1 . . . . 53 ARG CA . 16768 1 493 . 1 1 53 53 ARG CB C 13 31.93 0.002 . 1 . . . . 53 ARG CB . 16768 1 494 . 1 1 53 53 ARG N N 15 130.0 0.002 . 1 . . . . 53 ARG N . 16768 1 stop_ save_