################################### # 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 18010 _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 0.03 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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' . . . 18010 1 2 '2D 1H-13C HSQC' . . . 18010 1 3 '3D CBCACONNH' . . . 18010 1 4 '3D HNCO' . . . 18010 1 5 '3D HNCACB' . . . 18010 1 6 '3D HCC-TOCSY' . . . 18010 1 7 '3D CCC-TOCSY' . . . 18010 1 8 '3D HACACONNH' . . . 18010 1 9 '3D NC-NOESY (simultaneous N and C)' . . . 18010 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 3.88 0.03 . 1 . . . . 11 GLY HA2 . 18010 1 2 . 1 1 1 1 GLY HA3 H 1 3.88 0.03 . 1 . . . . 11 GLY HA3 . 18010 1 3 . 1 1 1 1 GLY CA C 13 43.01 0.2 . 1 . . . . 11 GLY CA . 18010 1 4 . 1 1 2 2 ASN H H 1 8.78 0.03 . 1 . . . . 12 ASN H . 18010 1 5 . 1 1 2 2 ASN HA H 1 4.89 0.03 . 1 . . . . 12 ASN HA . 18010 1 6 . 1 1 2 2 ASN HB2 H 1 2.90 0.03 . 2 . . . . 12 ASN HB2 . 18010 1 7 . 1 1 2 2 ASN HB3 H 1 2.80 0.03 . 2 . . . . 12 ASN HB3 . 18010 1 8 . 1 1 2 2 ASN HD21 H 1 7.65 0.03 . 2 . . . . 12 ASN HD21 . 18010 1 9 . 1 1 2 2 ASN HD22 H 1 6.95 0.03 . 2 . . . . 12 ASN HD22 . 18010 1 10 . 1 1 2 2 ASN C C 13 175.53 0.2 . 1 . . . . 12 ASN C . 18010 1 11 . 1 1 2 2 ASN CA C 13 53.16 0.2 . 1 . . . . 12 ASN CA . 18010 1 12 . 1 1 2 2 ASN CB C 13 39.08 0.2 . 1 . . . . 12 ASN CB . 18010 1 13 . 1 1 2 2 ASN N N 15 119.15 0.2 . 1 . . . . 12 ASN N . 18010 1 14 . 1 1 2 2 ASN ND2 N 15 112.99 0.2 . 1 . . . . 12 ASN ND2 . 18010 1 15 . 1 1 3 3 THR H H 1 8.33 0.03 . 1 . . . A 13 THR H . 18010 1 16 . 1 1 3 3 THR HA H 1 4.31 0.03 . 1 . . . A 13 THR HA . 18010 1 17 . 1 1 3 3 THR HB H 1 4.30 0.03 . 1 . . . A 13 THR HB . 18010 1 18 . 1 1 3 3 THR HG21 H 1 1.25 0.03 . 1 . . . A 13 THR HG21 . 18010 1 19 . 1 1 3 3 THR HG22 H 1 1.25 0.03 . 1 . . . A 13 THR HG22 . 18010 1 20 . 1 1 3 3 THR HG23 H 1 1.25 0.03 . 1 . . . A 13 THR HG23 . 18010 1 21 . 1 1 3 3 THR C C 13 175.14 0.2 . 1 . . . A 13 THR C . 18010 1 22 . 1 1 3 3 THR CA C 13 62.72 0.2 . 1 . . . A 13 THR CA . 18010 1 23 . 1 1 3 3 THR CB C 13 69.81 0.2 . 1 . . . A 13 THR CB . 18010 1 24 . 1 1 3 3 THR CG2 C 13 21.69 0.2 . 1 . . . A 13 THR CG2 . 18010 1 25 . 1 1 3 3 THR N N 15 115.41 0.2 . 1 . . . A 13 THR N . 18010 1 26 . 1 1 4 4 LYS H H 1 8.48 0.03 . 1 . . . A 14 LYS H . 18010 1 27 . 1 1 4 4 LYS HA H 1 4.18 0.03 . 1 . . . A 14 LYS HA . 18010 1 28 . 1 1 4 4 LYS HB2 H 1 1.86 0.03 . 1 . . . A 14 LYS HB2 . 18010 1 29 . 1 1 4 4 LYS HB3 H 1 1.86 0.03 . 1 . . . A 14 LYS HB3 . 18010 1 30 . 1 1 4 4 LYS HG2 H 1 1.44 0.03 . 1 . . . A 14 LYS HG2 . 18010 1 31 . 1 1 4 4 LYS HG3 H 1 1.44 0.03 . 1 . . . A 14 LYS HG3 . 18010 1 32 . 1 1 4 4 LYS HD2 H 1 1.69 0.03 . 1 . . . A 14 LYS HD2 . 18010 1 33 . 1 1 4 4 LYS HD3 H 1 1.69 0.03 . 1 . . . A 14 LYS HD3 . 18010 1 34 . 1 1 4 4 LYS HE2 H 1 2.99 0.03 . 1 . . . A 14 LYS HE2 . 18010 1 35 . 1 1 4 4 LYS HE3 H 1 2.99 0.03 . 1 . . . A 14 LYS HE3 . 18010 1 36 . 1 1 4 4 LYS C C 13 177.77 0.2 . 1 . . . A 14 LYS C . 18010 1 37 . 1 1 4 4 LYS CA C 13 57.62 0.2 . 1 . . . A 14 LYS CA . 18010 1 38 . 1 1 4 4 LYS CB C 13 32.58 0.2 . 1 . . . A 14 LYS CB . 18010 1 39 . 1 1 4 4 LYS CG C 13 24.67 0.2 . 1 . . . A 14 LYS CG . 18010 1 40 . 1 1 4 4 LYS CD C 13 28.84 0.2 . 1 . . . A 14 LYS CD . 18010 1 41 . 1 1 4 4 LYS CE C 13 41.81 0.2 . 1 . . . A 14 LYS CE . 18010 1 42 . 1 1 4 4 LYS N N 15 123.25 0.2 . 1 . . . A 14 LYS N . 18010 1 43 . 1 1 5 5 GLU H H 1 8.33 0.03 . 1 . . . A 15 GLU H . 18010 1 44 . 1 1 5 5 GLU HA H 1 4.21 0.03 . 1 . . . A 15 GLU HA . 18010 1 45 . 1 1 5 5 GLU HB2 H 1 2.29 0.03 . 1 . . . A 15 GLU HB2 . 18010 1 46 . 1 1 5 5 GLU HB3 H 1 2.29 0.03 . 1 . . . A 15 GLU HB3 . 18010 1 47 . 1 1 5 5 GLU HG2 H 1 2.29 0.03 . 1 . . . A 15 GLU HG2 . 18010 1 48 . 1 1 5 5 GLU HG3 H 1 2.29 0.03 . 1 . . . A 15 GLU HG3 . 18010 1 49 . 1 1 5 5 GLU C C 13 177.39 0.2 . 1 . . . A 15 GLU C . 18010 1 50 . 1 1 5 5 GLU CA C 13 57.74 0.2 . 1 . . . A 15 GLU CA . 18010 1 51 . 1 1 5 5 GLU CB C 13 29.96 0.2 . 1 . . . A 15 GLU CB . 18010 1 52 . 1 1 5 5 GLU CG C 13 35.82 0.2 . 1 . . . A 15 GLU CG . 18010 1 53 . 1 1 5 5 GLU N N 15 121.27 0.2 . 1 . . . A 15 GLU N . 18010 1 54 . 1 1 6 6 GLU H H 1 8.35 0.03 . 1 . . . A 16 GLU H . 18010 1 55 . 1 1 6 6 GLU HA H 1 4.16 0.03 . 1 . . . A 16 GLU HA . 18010 1 56 . 1 1 6 6 GLU HB2 H 1 2.03 0.03 . 1 . . . A 16 GLU HB2 . 18010 1 57 . 1 1 6 6 GLU HB3 H 1 2.03 0.03 . 1 . . . A 16 GLU HB3 . 18010 1 58 . 1 1 6 6 GLU HG2 H 1 2.33 0.03 . 1 . . . A 16 GLU HG2 . 18010 1 59 . 1 1 6 6 GLU HG3 H 1 2.33 0.03 . 1 . . . A 16 GLU HG3 . 18010 1 60 . 1 1 6 6 GLU C C 13 177.74 0.2 . 1 . . . A 16 GLU C . 18010 1 61 . 1 1 6 6 GLU CA C 13 57.74 0.2 . 1 . . . A 16 GLU CA . 18010 1 62 . 1 1 6 6 GLU CB C 13 29.96 0.2 . 1 . . . A 16 GLU CB . 18010 1 63 . 1 1 6 6 GLU CG C 13 36.09 0.2 . 1 . . . A 16 GLU CG . 18010 1 64 . 1 1 6 6 GLU N N 15 121.48 0.2 . 1 . . . A 16 GLU N . 18010 1 65 . 1 1 7 7 ALA H H 1 8.23 0.03 . 1 . . . A 17 ALA H . 18010 1 66 . 1 1 7 7 ALA HA H 1 4.19 0.03 . 1 . . . A 17 ALA HA . 18010 1 67 . 1 1 7 7 ALA HB1 H 1 1.42 0.03 . 1 . . . A 17 ALA HB1 . 18010 1 68 . 1 1 7 7 ALA HB2 H 1 1.42 0.03 . 1 . . . A 17 ALA HB2 . 18010 1 69 . 1 1 7 7 ALA HB3 H 1 1.42 0.03 . 1 . . . A 17 ALA HB3 . 18010 1 70 . 1 1 7 7 ALA C C 13 178.58 0.2 . 1 . . . A 17 ALA C . 18010 1 71 . 1 1 7 7 ALA CA C 13 53.63 0.2 . 1 . . . A 17 ALA CA . 18010 1 72 . 1 1 7 7 ALA CB C 13 18.87 0.2 . 1 . . . A 17 ALA CB . 18010 1 73 . 1 1 7 7 ALA N N 15 124.39 0.2 . 1 . . . A 17 ALA N . 18010 1 74 . 1 1 8 8 LYS H H 1 8.07 0.03 . 1 . . . A 18 LYS H . 18010 1 75 . 1 1 8 8 LYS HA H 1 4.01 0.03 . 1 . . . A 18 LYS HA . 18010 1 76 . 1 1 8 8 LYS HB2 H 1 1.86 0.03 . 1 . . . A 18 LYS HB2 . 18010 1 77 . 1 1 8 8 LYS HB3 H 1 1.86 0.03 . 1 . . . A 18 LYS HB3 . 18010 1 78 . 1 1 8 8 LYS HG2 H 1 1.46 0.03 . 1 . . . A 18 LYS HG2 . 18010 1 79 . 1 1 8 8 LYS HG3 H 1 1.46 0.03 . 1 . . . A 18 LYS HG3 . 18010 1 80 . 1 1 8 8 LYS HD2 H 1 1.70 0.03 . 1 . . . A 18 LYS HD2 . 18010 1 81 . 1 1 8 8 LYS HD3 H 1 1.70 0.03 . 1 . . . A 18 LYS HD3 . 18010 1 82 . 1 1 8 8 LYS HE2 H 1 2.99 0.03 . 1 . . . A 18 LYS HE2 . 18010 1 83 . 1 1 8 8 LYS HE3 H 1 2.99 0.03 . 1 . . . A 18 LYS HE3 . 18010 1 84 . 1 1 8 8 LYS C C 13 177.96 0.2 . 1 . . . A 18 LYS C . 18010 1 85 . 1 1 8 8 LYS CA C 13 58.06 0.2 . 1 . . . A 18 LYS CA . 18010 1 86 . 1 1 8 8 LYS CB C 13 32.74 0.2 . 1 . . . A 18 LYS CB . 18010 1 87 . 1 1 8 8 LYS CG C 13 24.67 0.2 . 1 . . . A 18 LYS CG . 18010 1 88 . 1 1 8 8 LYS CD C 13 28.95 0.2 . 1 . . . A 18 LYS CD . 18010 1 89 . 1 1 8 8 LYS CE C 13 41.80 0.2 . 1 . . . A 18 LYS CE . 18010 1 90 . 1 1 8 8 LYS N N 15 119.38 0.2 . 1 . . . A 18 LYS N . 18010 1 91 . 1 1 9 9 GLN H H 1 8.14 0.03 . 1 . . . A 19 GLN H . 18010 1 92 . 1 1 9 9 GLN HA H 1 4.23 0.03 . 1 . . . A 19 GLN HA . 18010 1 93 . 1 1 9 9 GLN HB2 H 1 2.09 0.03 . 1 . . . A 19 GLN HB2 . 18010 1 94 . 1 1 9 9 GLN HB3 H 1 2.09 0.03 . 1 . . . A 19 GLN HB3 . 18010 1 95 . 1 1 9 9 GLN HG2 H 1 2.43 0.03 . 1 . . . A 19 GLN HG2 . 18010 1 96 . 1 1 9 9 GLN HG3 H 1 2.43 0.03 . 1 . . . A 19 GLN HG3 . 18010 1 97 . 1 1 9 9 GLN C C 13 176.55 0.2 . 1 . . . A 19 GLN C . 18010 1 98 . 1 1 9 9 GLN CA C 13 57.19 0.2 . 1 . . . A 19 GLN CA . 18010 1 99 . 1 1 9 9 GLN CB C 13 28.82 0.2 . 1 . . . A 19 GLN CB . 18010 1 100 . 1 1 9 9 GLN CG C 13 33.25 0.2 . 1 . . . A 19 GLN CG . 18010 1 101 . 1 1 9 9 GLN N N 15 120.23 0.2 . 1 . . . A 19 GLN N . 18010 1 102 . 1 1 10 10 ALA H H 1 8.18 0.03 . 1 . . . A 20 ALA H . 18010 1 103 . 1 1 10 10 ALA HA H 1 4.20 0.03 . 1 . . . A 20 ALA HA . 18010 1 104 . 1 1 10 10 ALA HB1 H 1 1.35 0.03 . 1 . . . A 20 ALA HB1 . 18010 1 105 . 1 1 10 10 ALA HB2 H 1 1.35 0.03 . 1 . . . A 20 ALA HB2 . 18010 1 106 . 1 1 10 10 ALA HB3 H 1 1.35 0.03 . 1 . . . A 20 ALA HB3 . 18010 1 107 . 1 1 10 10 ALA C C 13 178.73 0.2 . 1 . . . A 20 ALA C . 18010 1 108 . 1 1 10 10 ALA CA C 13 53.82 0.2 . 1 . . . A 20 ALA CA . 18010 1 109 . 1 1 10 10 ALA CB C 13 18.84 0.2 . 1 . . . A 20 ALA CB . 18010 1 110 . 1 1 10 10 ALA N N 15 123.74 0.2 . 1 . . . A 20 ALA N . 18010 1 111 . 1 1 11 11 PHE H H 1 8.18 0.03 . 1 . . . A 21 PHE H . 18010 1 112 . 1 1 11 11 PHE HA H 1 4.40 0.03 . 1 . . . A 21 PHE HA . 18010 1 113 . 1 1 11 11 PHE HB2 H 1 3.18 0.03 . 1 . . . A 21 PHE HB2 . 18010 1 114 . 1 1 11 11 PHE HB3 H 1 3.18 0.03 . 1 . . . A 21 PHE HB3 . 18010 1 115 . 1 1 11 11 PHE HD1 H 1 7.21 0.03 . 1 . . . A 21 PHE HD1 . 18010 1 116 . 1 1 11 11 PHE HD2 H 1 7.21 0.03 . 1 . . . A 21 PHE HD2 . 18010 1 117 . 1 1 11 11 PHE HE1 H 1 7.21 0.03 . 1 . . . A 21 PHE HE1 . 18010 1 118 . 1 1 11 11 PHE HE2 H 1 7.21 0.03 . 1 . . . A 21 PHE HE2 . 18010 1 119 . 1 1 11 11 PHE C C 13 176.38 0.2 . 1 . . . A 21 PHE C . 18010 1 120 . 1 1 11 11 PHE CA C 13 59.12 0.2 . 1 . . . A 21 PHE CA . 18010 1 121 . 1 1 11 11 PHE CB C 13 39.32 0.2 . 1 . . . A 21 PHE CB . 18010 1 122 . 1 1 11 11 PHE CD1 C 13 130.64 0.2 . 1 . . . A 21 PHE CD1 . 18010 1 123 . 1 1 11 11 PHE CD2 C 13 130.64 0.2 . 1 . . . A 21 PHE CD2 . 18010 1 124 . 1 1 11 11 PHE CE1 C 13 130.44 0.2 . 1 . . . A 21 PHE CE1 . 18010 1 125 . 1 1 11 11 PHE CE2 C 13 130.44 0.2 . 1 . . . A 21 PHE CE2 . 18010 1 126 . 1 1 11 11 PHE N N 15 118.79 0.2 . 1 . . . A 21 PHE N . 18010 1 127 . 1 1 12 12 LYS H H 1 7.98 0.03 . 1 . . . A 22 LYS H . 18010 1 128 . 1 1 12 12 LYS HA H 1 4.01 0.03 . 1 . . . A 22 LYS HA . 18010 1 129 . 1 1 12 12 LYS HB2 H 1 1.86 0.03 . 1 . . . A 22 LYS HB2 . 18010 1 130 . 1 1 12 12 LYS HB3 H 1 1.86 0.03 . 1 . . . A 22 LYS HB3 . 18010 1 131 . 1 1 12 12 LYS HG2 H 1 1.46 0.03 . 1 . . . A 22 LYS HG2 . 18010 1 132 . 1 1 12 12 LYS HG3 H 1 1.46 0.03 . 1 . . . A 22 LYS HG3 . 18010 1 133 . 1 1 12 12 LYS HD2 H 1 1.70 0.03 . 1 . . . A 22 LYS HD2 . 18010 1 134 . 1 1 12 12 LYS HD3 H 1 1.70 0.03 . 1 . . . A 22 LYS HD3 . 18010 1 135 . 1 1 12 12 LYS HE2 H 1 2.99 0.03 . 1 . . . A 22 LYS HE2 . 18010 1 136 . 1 1 12 12 LYS HE3 H 1 2.99 0.03 . 1 . . . A 22 LYS HE3 . 18010 1 137 . 1 1 12 12 LYS C C 13 177.95 0.2 . 1 . . . A 22 LYS C . 18010 1 138 . 1 1 12 12 LYS CA C 13 58.72 0.2 . 1 . . . A 22 LYS CA . 18010 1 139 . 1 1 12 12 LYS CB C 13 32.77 0.2 . 1 . . . A 22 LYS CB . 18010 1 140 . 1 1 12 12 LYS CG C 13 24.67 0.2 . 1 . . . A 22 LYS CG . 18010 1 141 . 1 1 12 12 LYS CD C 13 28.95 0.2 . 1 . . . A 22 LYS CD . 18010 1 142 . 1 1 12 12 LYS CE C 13 41.80 0.2 . 1 . . . A 22 LYS CE . 18010 1 143 . 1 1 12 12 LYS N N 15 120.47 0.2 . 1 . . . A 22 LYS N . 18010 1 144 . 1 1 13 13 GLU H H 1 8.14 0.03 . 1 . . . A 23 GLU H . 18010 1 145 . 1 1 13 13 GLU HA H 1 4.18 0.03 . 1 . . . A 23 GLU HA . 18010 1 146 . 1 1 13 13 GLU HB2 H 1 2.08 0.03 . 1 . . . A 23 GLU HB2 . 18010 1 147 . 1 1 13 13 GLU HB3 H 1 2.08 0.03 . 1 . . . A 23 GLU HB3 . 18010 1 148 . 1 1 13 13 GLU HG2 H 1 2.35 0.03 . 1 . . . A 23 GLU HG2 . 18010 1 149 . 1 1 13 13 GLU HG3 H 1 2.35 0.03 . 1 . . . A 23 GLU HG3 . 18010 1 150 . 1 1 13 13 GLU C C 13 178.17 0.2 . 1 . . . A 23 GLU C . 18010 1 151 . 1 1 13 13 GLU CA C 13 56.84 0.2 . 1 . . . A 23 GLU CA . 18010 1 152 . 1 1 13 13 GLU CB C 13 29.49 0.2 . 1 . . . A 23 GLU CB . 18010 1 153 . 1 1 13 13 GLU CG C 13 35.62 0.2 . 1 . . . A 23 GLU CG . 18010 1 154 . 1 1 13 13 GLU N N 15 120.06 0.2 . 1 . . . A 23 GLU N . 18010 1 155 . 1 1 14 14 LEU H H 1 8.03 0.03 . 1 . . . A 24 LEU H . 18010 1 156 . 1 1 14 14 LEU HA H 1 4.40 0.03 . 1 . . . A 24 LEU HA . 18010 1 157 . 1 1 14 14 LEU HB2 H 1 1.68 0.03 . 1 . . . A 24 LEU HB2 . 18010 1 158 . 1 1 14 14 LEU HB3 H 1 1.68 0.03 . 1 . . . A 24 LEU HB3 . 18010 1 159 . 1 1 14 14 LEU HG H 1 1.71 0.03 . 1 . . . A 24 LEU HG . 18010 1 160 . 1 1 14 14 LEU HD11 H 1 0.85 0.03 . 1 . . . A 24 LEU HD11 . 18010 1 161 . 1 1 14 14 LEU HD12 H 1 0.85 0.03 . 1 . . . A 24 LEU HD12 . 18010 1 162 . 1 1 14 14 LEU HD13 H 1 0.85 0.03 . 1 . . . A 24 LEU HD13 . 18010 1 163 . 1 1 14 14 LEU HD21 H 1 0.82 0.03 . 1 . . . A 24 LEU HD21 . 18010 1 164 . 1 1 14 14 LEU HD22 H 1 0.82 0.03 . 1 . . . A 24 LEU HD22 . 18010 1 165 . 1 1 14 14 LEU HD23 H 1 0.82 0.03 . 1 . . . A 24 LEU HD23 . 18010 1 166 . 1 1 14 14 LEU C C 13 178.26 0.2 . 1 . . . A 24 LEU C . 18010 1 167 . 1 1 14 14 LEU CA C 13 56.84 0.2 . 1 . . . A 24 LEU CA . 18010 1 168 . 1 1 14 14 LEU CB C 13 42.09 0.2 . 1 . . . A 24 LEU CB . 18010 1 169 . 1 1 14 14 LEU CG C 13 26.81 0.2 . 1 . . . A 24 LEU CG . 18010 1 170 . 1 1 14 14 LEU CD1 C 13 24.67 0.2 . 1 . . . A 24 LEU CD1 . 18010 1 171 . 1 1 14 14 LEU CD2 C 13 23.96 0.2 . 1 . . . A 24 LEU CD2 . 18010 1 172 . 1 1 14 14 LEU N N 15 122.36 0.2 . 1 . . . A 24 LEU N . 18010 1 173 . 1 1 15 15 LEU H H 1 7.99 0.03 . 1 . . . A 25 LEU H . 18010 1 174 . 1 1 15 15 LEU HA H 1 4.06 0.03 . 1 . . . A 25 LEU HA . 18010 1 175 . 1 1 15 15 LEU HB2 H 1 1.51 0.03 . 1 . . . A 25 LEU HB2 . 18010 1 176 . 1 1 15 15 LEU HB3 H 1 1.51 0.03 . 1 . . . A 25 LEU HB3 . 18010 1 177 . 1 1 15 15 LEU HG H 1 1.52 0.03 . 1 . . . A 25 LEU HG . 18010 1 178 . 1 1 15 15 LEU HD11 H 1 0.78 0.03 . 1 . . . A 25 LEU HD11 . 18010 1 179 . 1 1 15 15 LEU HD12 H 1 0.78 0.03 . 1 . . . A 25 LEU HD12 . 18010 1 180 . 1 1 15 15 LEU HD13 H 1 0.78 0.03 . 1 . . . A 25 LEU HD13 . 18010 1 181 . 1 1 15 15 LEU HD21 H 1 0.75 0.03 . 1 . . . A 25 LEU HD21 . 18010 1 182 . 1 1 15 15 LEU HD22 H 1 0.75 0.03 . 1 . . . A 25 LEU HD22 . 18010 1 183 . 1 1 15 15 LEU HD23 H 1 0.75 0.03 . 1 . . . A 25 LEU HD23 . 18010 1 184 . 1 1 15 15 LEU C C 13 177.99 0.2 . 1 . . . A 25 LEU C . 18010 1 185 . 1 1 15 15 LEU CA C 13 56.54 0.2 . 1 . . . A 25 LEU CA . 18010 1 186 . 1 1 15 15 LEU CB C 13 41.92 0.2 . 1 . . . A 25 LEU CB . 18010 1 187 . 1 1 15 15 LEU CG C 13 26.56 0.2 . 1 . . . A 25 LEU CG . 18010 1 188 . 1 1 15 15 LEU CD1 C 13 24.91 0.2 . 1 . . . A 25 LEU CD1 . 18010 1 189 . 1 1 15 15 LEU CD2 C 13 23.18 0.2 . 1 . . . A 25 LEU CD2 . 18010 1 190 . 1 1 15 15 LEU N N 15 120.26 0.2 . 1 . . . A 25 LEU N . 18010 1 191 . 1 1 16 16 LYS H H 1 7.89 0.03 . 1 . . . A 26 LYS H . 18010 1 192 . 1 1 16 16 LYS HA H 1 4.20 0.03 . 1 . . . A 26 LYS HA . 18010 1 193 . 1 1 16 16 LYS HB2 H 1 1.82 0.03 . 1 . . . A 26 LYS HB2 . 18010 1 194 . 1 1 16 16 LYS HB3 H 1 1.82 0.03 . 1 . . . A 26 LYS HB3 . 18010 1 195 . 1 1 16 16 LYS HG2 H 1 1.49 0.03 . 1 . . . A 26 LYS HG2 . 18010 1 196 . 1 1 16 16 LYS HG3 H 1 1.49 0.03 . 1 . . . A 26 LYS HG3 . 18010 1 197 . 1 1 16 16 LYS HD2 H 1 1.67 0.03 . 1 . . . A 26 LYS HD2 . 18010 1 198 . 1 1 16 16 LYS HD3 H 1 1.67 0.03 . 1 . . . A 26 LYS HD3 . 18010 1 199 . 1 1 16 16 LYS HE2 H 1 2.94 0.03 . 1 . . . A 26 LYS HE2 . 18010 1 200 . 1 1 16 16 LYS HE3 H 1 2.94 0.03 . 1 . . . A 26 LYS HE3 . 18010 1 201 . 1 1 16 16 LYS C C 13 177.94 0.2 . 1 . . . A 26 LYS C . 18010 1 202 . 1 1 16 16 LYS CA C 13 57.61 0.2 . 1 . . . A 26 LYS CA . 18010 1 203 . 1 1 16 16 LYS CB C 13 32.80 0.2 . 1 . . . A 26 LYS CB . 18010 1 204 . 1 1 16 16 LYS CG C 13 24.79 0.2 . 1 . . . A 26 LYS CG . 18010 1 205 . 1 1 16 16 LYS CD C 13 24.61 0.2 . 1 . . . A 26 LYS CD . 18010 1 206 . 1 1 16 16 LYS CE C 13 41.81 0.2 . 1 . . . A 26 LYS CE . 18010 1 207 . 1 1 16 16 LYS N N 15 120.68 0.2 . 1 . . . A 26 LYS N . 18010 1 208 . 1 1 17 17 GLU H H 1 8.17 0.03 . 1 . . . A 27 GLU H . 18010 1 209 . 1 1 17 17 GLU HA H 1 4.18 0.03 . 1 . . . A 27 GLU HA . 18010 1 210 . 1 1 17 17 GLU HB2 H 1 2.07 0.03 . 1 . . . A 27 GLU HB2 . 18010 1 211 . 1 1 17 17 GLU HB3 H 1 2.07 0.03 . 1 . . . A 27 GLU HB3 . 18010 1 212 . 1 1 17 17 GLU HG2 H 1 2.35 0.03 . 1 . . . A 27 GLU HG2 . 18010 1 213 . 1 1 17 17 GLU HG3 H 1 2.35 0.03 . 1 . . . A 27 GLU HG3 . 18010 1 214 . 1 1 17 17 GLU CA C 13 57.01 0.2 . 1 . . . A 27 GLU CA . 18010 1 215 . 1 1 17 17 GLU CB C 13 28.93 0.2 . 1 . . . A 27 GLU CB . 18010 1 216 . 1 1 17 17 GLU CG C 13 35.64 0.2 . 1 . . . A 27 GLU CG . 18010 1 217 . 1 1 17 17 GLU N N 15 120.47 0.2 . 1 . . . A 27 GLU N . 18010 1 218 . 1 1 19 19 ARG HA H 1 4.25 0.03 . 1 . . . A 29 ARG HA . 18010 1 219 . 1 1 19 19 ARG HB2 H 1 1.82 0.03 . 1 . . . A 29 ARG HB2 . 18010 1 220 . 1 1 19 19 ARG HB3 H 1 1.82 0.03 . 1 . . . A 29 ARG HB3 . 18010 1 221 . 1 1 19 19 ARG HG2 H 1 1.58 0.03 . 1 . . . A 29 ARG HG2 . 18010 1 222 . 1 1 19 19 ARG HG3 H 1 1.58 0.03 . 1 . . . A 29 ARG HG3 . 18010 1 223 . 1 1 19 19 ARG HD2 H 1 3.18 0.03 . 1 . . . A 29 ARG HD2 . 18010 1 224 . 1 1 19 19 ARG HD3 H 1 3.18 0.03 . 1 . . . A 29 ARG HD3 . 18010 1 225 . 1 1 19 19 ARG HE H 1 7.24 0.03 . 1 . . . A 29 ARG HE . 18010 1 226 . 1 1 19 19 ARG C C 13 175.92 0.2 . 1 . . . A 29 ARG C . 18010 1 227 . 1 1 19 19 ARG CA C 13 55.94 0.2 . 1 . . . A 29 ARG CA . 18010 1 228 . 1 1 19 19 ARG CB C 13 30.18 0.2 . 1 . . . A 29 ARG CB . 18010 1 229 . 1 1 19 19 ARG CG C 13 26.94 0.2 . 1 . . . A 29 ARG CG . 18010 1 230 . 1 1 19 19 ARG CD C 13 43.00 0.2 . 1 . . . A 29 ARG CD . 18010 1 231 . 1 1 19 19 ARG NE N 15 85.12 0.2 . 1 . . . A 29 ARG NE . 18010 1 232 . 1 1 20 20 VAL H H 1 7.99 0.03 . 1 . . . A 30 VAL H . 18010 1 233 . 1 1 20 20 VAL HA H 1 4.33 0.03 . 1 . . . A 30 VAL HA . 18010 1 234 . 1 1 20 20 VAL HB H 1 1.99 0.03 . 1 . . . A 30 VAL HB . 18010 1 235 . 1 1 20 20 VAL HG11 H 1 0.90 0.03 . 1 . . . A 30 VAL HG11 . 18010 1 236 . 1 1 20 20 VAL HG12 H 1 0.90 0.03 . 1 . . . A 30 VAL HG12 . 18010 1 237 . 1 1 20 20 VAL HG13 H 1 0.90 0.03 . 1 . . . A 30 VAL HG13 . 18010 1 238 . 1 1 20 20 VAL HG21 H 1 0.86 0.03 . 1 . . . A 30 VAL HG21 . 18010 1 239 . 1 1 20 20 VAL HG22 H 1 0.86 0.03 . 1 . . . A 30 VAL HG22 . 18010 1 240 . 1 1 20 20 VAL HG23 H 1 0.86 0.03 . 1 . . . A 30 VAL HG23 . 18010 1 241 . 1 1 20 20 VAL CA C 13 59.66 0.2 . 1 . . . A 30 VAL CA . 18010 1 242 . 1 1 20 20 VAL CB C 13 32.78 0.2 . 1 . . . A 30 VAL CB . 18010 1 243 . 1 1 20 20 VAL CG1 C 13 21.09 0.2 . 1 . . . A 30 VAL CG1 . 18010 1 244 . 1 1 20 20 VAL CG2 C 13 20.71 0.2 . 1 . . . A 30 VAL CG2 . 18010 1 245 . 1 1 20 20 VAL N N 15 121.11 0.2 . 1 . . . A 30 VAL N . 18010 1 246 . 1 1 21 21 PRO HA H 1 4.42 0.03 . 1 . . . A 31 PRO HA . 18010 1 247 . 1 1 21 21 PRO HB2 H 1 2.33 0.03 . 1 . . . A 31 PRO HB2 . 18010 1 248 . 1 1 21 21 PRO HB3 H 1 2.33 0.03 . 1 . . . A 31 PRO HB3 . 18010 1 249 . 1 1 21 21 PRO HG2 H 1 1.96 0.03 . 1 . . . A 31 PRO HG2 . 18010 1 250 . 1 1 21 21 PRO HG3 H 1 1.96 0.03 . 1 . . . A 31 PRO HG3 . 18010 1 251 . 1 1 21 21 PRO HD2 H 1 3.88 0.03 . 2 . . . A 31 PRO HD2 . 18010 1 252 . 1 1 21 21 PRO HD3 H 1 3.55 0.03 . 2 . . . A 31 PRO HD3 . 18010 1 253 . 1 1 21 21 PRO CA C 13 62.70 0.2 . 1 . . . A 31 PRO CA . 18010 1 254 . 1 1 21 21 PRO CB C 13 32.39 0.2 . 1 . . . A 31 PRO CB . 18010 1 255 . 1 1 21 21 PRO CG C 13 27.29 0.2 . 1 . . . A 31 PRO CG . 18010 1 256 . 1 1 21 21 PRO CD C 13 50.82 0.2 . 1 . . . A 31 PRO CD . 18010 1 257 . 1 1 22 22 SER H H 1 8.53 0.03 . 1 . . . A 32 SER H . 18010 1 258 . 1 1 22 22 SER HA H 1 4.31 0.03 . 1 . . . A 32 SER HA . 18010 1 259 . 1 1 22 22 SER HB2 H 1 3.93 0.03 . 1 . . . A 32 SER HB2 . 18010 1 260 . 1 1 22 22 SER HB3 H 1 3.93 0.03 . 1 . . . A 32 SER HB3 . 18010 1 261 . 1 1 22 22 SER C C 13 174.60 0.2 . 1 . . . A 32 SER C . 18010 1 262 . 1 1 22 22 SER CA C 13 59.37 0.2 . 1 . . . A 32 SER CA . 18010 1 263 . 1 1 22 22 SER CB C 13 63.87 0.2 . 1 . . . A 32 SER CB . 18010 1 264 . 1 1 22 22 SER N N 15 116.50 0.2 . 1 . . . A 32 SER N . 18010 1 265 . 1 1 23 23 ASN H H 1 8.31 0.03 . 1 . . . A 33 ASN H . 18010 1 266 . 1 1 23 23 ASN HA H 1 4.72 0.03 . 1 . . . A 33 ASN HA . 18010 1 267 . 1 1 23 23 ASN HB2 H 1 2.89 0.03 . 1 . . . A 33 ASN HB2 . 18010 1 268 . 1 1 23 23 ASN HB3 H 1 2.89 0.03 . 1 . . . A 33 ASN HB3 . 18010 1 269 . 1 1 23 23 ASN HD21 H 1 7.60 0.03 . 2 . . . A 33 ASN HD21 . 18010 1 270 . 1 1 23 23 ASN HD22 H 1 6.87 0.03 . 2 . . . A 33 ASN HD22 . 18010 1 271 . 1 1 23 23 ASN C C 13 175.22 0.2 . 1 . . . A 33 ASN C . 18010 1 272 . 1 1 23 23 ASN CA C 13 52.95 0.2 . 1 . . . A 33 ASN CA . 18010 1 273 . 1 1 23 23 ASN CB C 13 38.30 0.2 . 1 . . . A 33 ASN CB . 18010 1 274 . 1 1 23 23 ASN N N 15 119.05 0.2 . 1 . . . A 33 ASN N . 18010 1 275 . 1 1 23 23 ASN ND2 N 15 112.57 0.2 . 1 . . . A 33 ASN ND2 . 18010 1 276 . 1 1 24 24 ALA H H 1 7.96 0.03 . 1 . . . A 34 ALA H . 18010 1 277 . 1 1 24 24 ALA HA H 1 4.30 0.03 . 1 . . . A 34 ALA HA . 18010 1 278 . 1 1 24 24 ALA HB1 H 1 1.35 0.03 . 1 . . . A 34 ALA HB1 . 18010 1 279 . 1 1 24 24 ALA HB2 H 1 1.35 0.03 . 1 . . . A 34 ALA HB2 . 18010 1 280 . 1 1 24 24 ALA HB3 H 1 1.35 0.03 . 1 . . . A 34 ALA HB3 . 18010 1 281 . 1 1 24 24 ALA C C 13 178.10 0.2 . 1 . . . A 34 ALA C . 18010 1 282 . 1 1 24 24 ALA CA C 13 53.02 0.2 . 1 . . . A 34 ALA CA . 18010 1 283 . 1 1 24 24 ALA CB C 13 19.26 0.2 . 1 . . . A 34 ALA CB . 18010 1 284 . 1 1 24 24 ALA N N 15 123.61 0.2 . 1 . . . A 34 ALA N . 18010 1 285 . 1 1 25 25 SER H H 1 8.35 0.03 . 1 . . . A 35 SER H . 18010 1 286 . 1 1 25 25 SER HA H 1 4.49 0.03 . 1 . . . A 35 SER HA . 18010 1 287 . 1 1 25 25 SER HB2 H 1 4.16 0.03 . 1 . . . A 35 SER HB2 . 18010 1 288 . 1 1 25 25 SER HB3 H 1 4.16 0.03 . 1 . . . A 35 SER HB3 . 18010 1 289 . 1 1 25 25 SER C C 13 175.38 0.2 . 1 . . . A 35 SER C . 18010 1 290 . 1 1 25 25 SER CA C 13 58.29 0.2 . 1 . . . A 35 SER CA . 18010 1 291 . 1 1 25 25 SER CB C 13 64.10 0.2 . 1 . . . A 35 SER CB . 18010 1 292 . 1 1 25 25 SER N N 15 116.14 0.2 . 1 . . . A 35 SER N . 18010 1 293 . 1 1 26 26 TRP H H 1 8.57 0.03 . 1 . . . A 36 TRP H . 18010 1 294 . 1 1 26 26 TRP HA H 1 4.31 0.03 . 1 . . . A 36 TRP HA . 18010 1 295 . 1 1 26 26 TRP HB2 H 1 3.24 0.03 . 1 . . . A 36 TRP HB2 . 18010 1 296 . 1 1 26 26 TRP HB3 H 1 3.24 0.03 . 1 . . . A 36 TRP HB3 . 18010 1 297 . 1 1 26 26 TRP HD1 H 1 7.22 0.03 . 1 . . . A 36 TRP HD1 . 18010 1 298 . 1 1 26 26 TRP HE3 H 1 7.43 0.03 . 1 . . . A 36 TRP HE3 . 18010 1 299 . 1 1 26 26 TRP HZ3 H 1 6.99 0.03 . 1 . . . A 36 TRP HZ3 . 18010 1 300 . 1 1 26 26 TRP C C 13 177.06 0.2 . 1 . . . A 36 TRP C . 18010 1 301 . 1 1 26 26 TRP CA C 13 59.19 0.2 . 1 . . . A 36 TRP CA . 18010 1 302 . 1 1 26 26 TRP CB C 13 28.72 0.2 . 1 . . . A 36 TRP CB . 18010 1 303 . 1 1 26 26 TRP CD1 C 13 126.36 0.2 . 1 . . . A 36 TRP CD1 . 18010 1 304 . 1 1 26 26 TRP CE3 C 13 120.01 0.2 . 1 . . . A 36 TRP CE3 . 18010 1 305 . 1 1 26 26 TRP CZ3 C 13 120.57 0.2 . 1 . . . A 36 TRP CZ3 . 18010 1 306 . 1 1 26 26 TRP N N 15 123.67 0.2 . 1 . . . A 36 TRP N . 18010 1 307 . 1 1 27 27 GLU H H 1 8.32 0.03 . 1 . . . A 37 GLU H . 18010 1 308 . 1 1 27 27 GLU HA H 1 3.74 0.03 . 1 . . . A 37 GLU HA . 18010 1 309 . 1 1 27 27 GLU HB2 H 1 1.91 0.03 . 1 . . . A 37 GLU HB2 . 18010 1 310 . 1 1 27 27 GLU HB3 H 1 1.91 0.03 . 1 . . . A 37 GLU HB3 . 18010 1 311 . 1 1 27 27 GLU HG2 H 1 2.14 0.03 . 1 . . . A 37 GLU HG2 . 18010 1 312 . 1 1 27 27 GLU HG3 H 1 2.14 0.03 . 1 . . . A 37 GLU HG3 . 18010 1 313 . 1 1 27 27 GLU C C 13 178.57 0.2 . 1 . . . A 37 GLU C . 18010 1 314 . 1 1 27 27 GLU CA C 13 59.46 0.2 . 1 . . . A 37 GLU CA . 18010 1 315 . 1 1 27 27 GLU CB C 13 29.30 0.2 . 1 . . . A 37 GLU CB . 18010 1 316 . 1 1 27 27 GLU CG C 13 36.05 0.2 . 1 . . . A 37 GLU CG . 18010 1 317 . 1 1 27 27 GLU N N 15 119.05 0.2 . 1 . . . A 37 GLU N . 18010 1 318 . 1 1 28 28 GLN H H 1 7.79 0.03 . 1 . . . A 38 GLN H . 18010 1 319 . 1 1 28 28 GLN HA H 1 3.98 0.03 . 1 . . . A 38 GLN HA . 18010 1 320 . 1 1 28 28 GLN HB2 H 1 2.13 0.03 . 1 . . . A 38 GLN HB2 . 18010 1 321 . 1 1 28 28 GLN HB3 H 1 2.13 0.03 . 1 . . . A 38 GLN HB3 . 18010 1 322 . 1 1 28 28 GLN HG2 H 1 2.38 0.03 . 1 . . . A 38 GLN HG2 . 18010 1 323 . 1 1 28 28 GLN HG3 H 1 2.38 0.03 . 1 . . . A 38 GLN HG3 . 18010 1 324 . 1 1 28 28 GLN HE21 H 1 6.88 0.03 . 2 . . . A 38 GLN HE21 . 18010 1 325 . 1 1 28 28 GLN HE22 H 1 7.45 0.03 . 2 . . . A 38 GLN HE22 . 18010 1 326 . 1 1 28 28 GLN C C 13 177.94 0.2 . 1 . . . A 38 GLN C . 18010 1 327 . 1 1 28 28 GLN CA C 13 56.63 0.2 . 1 . . . A 38 GLN CA . 18010 1 328 . 1 1 28 28 GLN CB C 13 30.42 0.2 . 1 . . . A 38 GLN CB . 18010 1 329 . 1 1 28 28 GLN CG C 13 33.57 0.2 . 1 . . . A 38 GLN CG . 18010 1 330 . 1 1 28 28 GLN N N 15 118.90 0.2 . 1 . . . A 38 GLN N . 18010 1 331 . 1 1 28 28 GLN NE2 N 15 111.99 0.2 . 1 . . . A 38 GLN NE2 . 18010 1 332 . 1 1 29 29 ALA H H 1 8.17 0.03 . 1 . . . A 39 ALA H . 18010 1 333 . 1 1 29 29 ALA HA H 1 3.98 0.03 . 1 . . . A 39 ALA HA . 18010 1 334 . 1 1 29 29 ALA HB1 H 1 1.25 0.03 . 1 . . . A 39 ALA HB1 . 18010 1 335 . 1 1 29 29 ALA HB2 H 1 1.25 0.03 . 1 . . . A 39 ALA HB2 . 18010 1 336 . 1 1 29 29 ALA HB3 H 1 1.25 0.03 . 1 . . . A 39 ALA HB3 . 18010 1 337 . 1 1 29 29 ALA C C 13 179.11 0.2 . 1 . . . A 39 ALA C . 18010 1 338 . 1 1 29 29 ALA CA C 13 54.56 0.2 . 1 . . . A 39 ALA CA . 18010 1 339 . 1 1 29 29 ALA CB C 13 18.58 0.2 . 1 . . . A 39 ALA CB . 18010 1 340 . 1 1 29 29 ALA N N 15 122.81 0.2 . 1 . . . A 39 ALA N . 18010 1 341 . 1 1 30 30 MET H H 1 8.15 0.03 . 1 . . . A 40 MET H . 18010 1 342 . 1 1 30 30 MET HA H 1 4.07 0.03 . 1 . . . A 40 MET HA . 18010 1 343 . 1 1 30 30 MET HB2 H 1 2.05 0.03 . 1 . . . A 40 MET HB2 . 18010 1 344 . 1 1 30 30 MET HB3 H 1 2.05 0.03 . 1 . . . A 40 MET HB3 . 18010 1 345 . 1 1 30 30 MET HG2 H 1 2.24 0.03 . 1 . . . A 40 MET HG2 . 18010 1 346 . 1 1 30 30 MET HG3 H 1 2.24 0.03 . 1 . . . A 40 MET HG3 . 18010 1 347 . 1 1 30 30 MET HE1 H 1 1.78 0.03 . 1 . . . A 40 MET HE1 . 18010 1 348 . 1 1 30 30 MET HE2 H 1 1.78 0.03 . 1 . . . A 40 MET HE2 . 18010 1 349 . 1 1 30 30 MET HE3 H 1 1.78 0.03 . 1 . . . A 40 MET HE3 . 18010 1 350 . 1 1 30 30 MET C C 13 177.71 0.2 . 1 . . . A 40 MET C . 18010 1 351 . 1 1 30 30 MET CA C 13 56.93 0.2 . 1 . . . A 40 MET CA . 18010 1 352 . 1 1 30 30 MET CB C 13 32.00 0.2 . 1 . . . A 40 MET CB . 18010 1 353 . 1 1 30 30 MET CG C 13 31.58 0.2 . 1 . . . A 40 MET CG . 18010 1 354 . 1 1 30 30 MET CE C 13 17.12 0.2 . 1 . . . A 40 MET CE . 18010 1 355 . 1 1 30 30 MET N N 15 116.27 0.2 . 1 . . . A 40 MET N . 18010 1 356 . 1 1 31 31 LYS H H 1 7.62 0.03 . 1 . . . A 41 LYS H . 18010 1 357 . 1 1 31 31 LYS HA H 1 3.96 0.03 . 1 . . . A 41 LYS HA . 18010 1 358 . 1 1 31 31 LYS HB2 H 1 1.78 0.03 . 1 . . . A 41 LYS HB2 . 18010 1 359 . 1 1 31 31 LYS HB3 H 1 1.78 0.03 . 1 . . . A 41 LYS HB3 . 18010 1 360 . 1 1 31 31 LYS HG2 H 1 1.39 0.03 . 2 . . . A 41 LYS HG2 . 18010 1 361 . 1 1 31 31 LYS HG3 H 1 1.51 0.03 . 2 . . . A 41 LYS HG3 . 18010 1 362 . 1 1 31 31 LYS HD2 H 1 2.04 0.03 . 1 . . . A 41 LYS HD2 . 18010 1 363 . 1 1 31 31 LYS HD3 H 1 2.04 0.03 . 1 . . . A 41 LYS HD3 . 18010 1 364 . 1 1 31 31 LYS C C 13 177.86 0.2 . 1 . . . A 41 LYS C . 18010 1 365 . 1 1 31 31 LYS CA C 13 58.58 0.2 . 1 . . . A 41 LYS CA . 18010 1 366 . 1 1 31 31 LYS CB C 13 32.44 0.2 . 1 . . . A 41 LYS CB . 18010 1 367 . 1 1 31 31 LYS CG C 13 24.92 0.2 . 1 . . . A 41 LYS CG . 18010 1 368 . 1 1 31 31 LYS CD C 13 29.07 0.2 . 1 . . . A 41 LYS CD . 18010 1 369 . 1 1 31 31 LYS CE C 13 41.80 0.2 . 1 . . . A 41 LYS CE . 18010 1 370 . 1 1 31 31 LYS N N 15 118.73 0.2 . 1 . . . A 41 LYS N . 18010 1 371 . 1 1 32 32 MET H H 1 7.68 0.03 . 1 . . . A 42 MET H . 18010 1 372 . 1 1 32 32 MET HA H 1 4.26 0.03 . 1 . . . A 42 MET HA . 18010 1 373 . 1 1 32 32 MET HB2 H 1 2.09 0.03 . 1 . . . A 42 MET HB2 . 18010 1 374 . 1 1 32 32 MET HB3 H 1 2.09 0.03 . 1 . . . A 42 MET HB3 . 18010 1 375 . 1 1 32 32 MET HG2 H 1 2.55 0.03 . 2 . . . A 42 MET HG2 . 18010 1 376 . 1 1 32 32 MET HG3 H 1 2.71 0.03 . 2 . . . A 42 MET HG3 . 18010 1 377 . 1 1 32 32 MET HE1 H 1 2.05 0.03 . 1 . . . A 42 MET HE1 . 18010 1 378 . 1 1 32 32 MET HE2 H 1 2.05 0.03 . 1 . . . A 42 MET HE2 . 18010 1 379 . 1 1 32 32 MET HE3 H 1 2.05 0.03 . 1 . . . A 42 MET HE3 . 18010 1 380 . 1 1 32 32 MET C C 13 177.46 0.2 . 1 . . . A 42 MET C . 18010 1 381 . 1 1 32 32 MET CA C 13 57.23 0.2 . 1 . . . A 42 MET CA . 18010 1 382 . 1 1 32 32 MET CB C 13 32.85 0.2 . 1 . . . A 42 MET CB . 18010 1 383 . 1 1 32 32 MET CG C 13 32.54 0.2 . 1 . . . A 42 MET CG . 18010 1 384 . 1 1 32 32 MET CE C 13 16.98 0.2 . 1 . . . A 42 MET CE . 18010 1 385 . 1 1 32 32 MET N N 15 117.33 0.2 . 1 . . . A 42 MET N . 18010 1 386 . 1 1 33 33 ILE H H 1 7.74 0.03 . 1 . . . A 43 ILE H . 18010 1 387 . 1 1 33 33 ILE HA H 1 4.05 0.03 . 1 . . . A 43 ILE HA . 18010 1 388 . 1 1 33 33 ILE HB H 1 1.91 0.03 . 1 . . . A 43 ILE HB . 18010 1 389 . 1 1 33 33 ILE HG12 H 1 1.44 0.03 . 1 . . . A 43 ILE HG12 . 18010 1 390 . 1 1 33 33 ILE HG13 H 1 1.44 0.03 . 1 . . . A 43 ILE HG13 . 18010 1 391 . 1 1 33 33 ILE HG21 H 1 0.74 0.03 . 1 . . . A 43 ILE HG21 . 18010 1 392 . 1 1 33 33 ILE HG22 H 1 0.74 0.03 . 1 . . . A 43 ILE HG22 . 18010 1 393 . 1 1 33 33 ILE HG23 H 1 0.74 0.03 . 1 . . . A 43 ILE HG23 . 18010 1 394 . 1 1 33 33 ILE HD11 H 1 0.75 0.03 . 1 . . . A 43 ILE HD11 . 18010 1 395 . 1 1 33 33 ILE HD12 H 1 0.75 0.03 . 1 . . . A 43 ILE HD12 . 18010 1 396 . 1 1 33 33 ILE HD13 H 1 0.75 0.03 . 1 . . . A 43 ILE HD13 . 18010 1 397 . 1 1 33 33 ILE C C 13 176.78 0.2 . 1 . . . A 43 ILE C . 18010 1 398 . 1 1 33 33 ILE CA C 13 62.83 0.2 . 1 . . . A 43 ILE CA . 18010 1 399 . 1 1 33 33 ILE CB C 13 38.70 0.2 . 1 . . . A 43 ILE CB . 18010 1 400 . 1 1 33 33 ILE CG1 C 13 27.29 0.2 . 1 . . . A 43 ILE CG1 . 18010 1 401 . 1 1 33 33 ILE CG2 C 13 17.54 0.2 . 1 . . . A 43 ILE CG2 . 18010 1 402 . 1 1 33 33 ILE CD1 C 13 13.34 0.2 . 1 . . . A 43 ILE CD1 . 18010 1 403 . 1 1 33 33 ILE N N 15 118.21 0.2 . 1 . . . A 43 ILE N . 18010 1 404 . 1 1 34 34 ILE H H 1 7.77 0.03 . 1 . . . A 44 ILE H . 18010 1 405 . 1 1 34 34 ILE HA H 1 4.11 0.03 . 1 . . . A 44 ILE HA . 18010 1 406 . 1 1 34 34 ILE HB H 1 1.55 0.03 . 1 . . . A 44 ILE HB . 18010 1 407 . 1 1 34 34 ILE HG12 H 1 1.37 0.03 . 1 . . . A 44 ILE HG12 . 18010 1 408 . 1 1 34 34 ILE HG13 H 1 1.37 0.03 . 1 . . . A 44 ILE HG13 . 18010 1 409 . 1 1 34 34 ILE HG21 H 1 0.82 0.03 . 1 . . . A 44 ILE HG21 . 18010 1 410 . 1 1 34 34 ILE HG22 H 1 0.82 0.03 . 1 . . . A 44 ILE HG22 . 18010 1 411 . 1 1 34 34 ILE HG23 H 1 0.82 0.03 . 1 . . . A 44 ILE HG23 . 18010 1 412 . 1 1 34 34 ILE HD11 H 1 0.69 0.03 . 1 . . . A 44 ILE HD11 . 18010 1 413 . 1 1 34 34 ILE HD12 H 1 0.69 0.03 . 1 . . . A 44 ILE HD12 . 18010 1 414 . 1 1 34 34 ILE HD13 H 1 0.69 0.03 . 1 . . . A 44 ILE HD13 . 18010 1 415 . 1 1 34 34 ILE C C 13 175.92 0.2 . 1 . . . A 44 ILE C . 18010 1 416 . 1 1 34 34 ILE CA C 13 62.68 0.2 . 1 . . . A 44 ILE CA . 18010 1 417 . 1 1 34 34 ILE CB C 13 38.91 0.2 . 1 . . . A 44 ILE CB . 18010 1 418 . 1 1 34 34 ILE CG1 C 13 27.81 0.2 . 1 . . . A 44 ILE CG1 . 18010 1 419 . 1 1 34 34 ILE CG2 C 13 17.29 0.2 . 1 . . . A 44 ILE CG2 . 18010 1 420 . 1 1 34 34 ILE CD1 C 13 13.34 0.2 . 1 . . . A 44 ILE CD1 . 18010 1 421 . 1 1 34 34 ILE N N 15 119.00 0.2 . 1 . . . A 44 ILE N . 18010 1 422 . 1 1 35 35 ASN H H 1 7.87 0.03 . 1 . . . A 45 ASN H . 18010 1 423 . 1 1 35 35 ASN HA H 1 4.72 0.03 . 1 . . . A 45 ASN HA . 18010 1 424 . 1 1 35 35 ASN HB2 H 1 2.72 0.03 . 2 . . . A 45 ASN HB2 . 18010 1 425 . 1 1 35 35 ASN HB3 H 1 2.86 0.03 . 2 . . . A 45 ASN HB3 . 18010 1 426 . 1 1 35 35 ASN HD21 H 1 7.71 0.03 . 1 . . . A 45 ASN HD21 . 18010 1 427 . 1 1 35 35 ASN HD22 H 1 6.91 0.03 . 1 . . . A 45 ASN HD22 . 18010 1 428 . 1 1 35 35 ASN C C 13 174.60 0.2 . 1 . . . A 45 ASN C . 18010 1 429 . 1 1 35 35 ASN CA C 13 53.23 0.2 . 1 . . . A 45 ASN CA . 18010 1 430 . 1 1 35 35 ASN CB C 13 39.09 0.2 . 1 . . . A 45 ASN CB . 18010 1 431 . 1 1 35 35 ASN N N 15 118.21 0.2 . 1 . . . A 45 ASN N . 18010 1 432 . 1 1 35 35 ASN ND2 N 15 113.29 0.2 . 1 . . . A 45 ASN ND2 . 18010 1 433 . 1 1 36 36 ASP H H 1 7.92 0.03 . 1 . . . A 46 ASP H . 18010 1 434 . 1 1 36 36 ASP HA H 1 4.93 0.03 . 1 . . . A 46 ASP HA . 18010 1 435 . 1 1 36 36 ASP HB2 H 1 3.08 0.03 . 2 . . . A 46 ASP HB2 . 18010 1 436 . 1 1 36 36 ASP HB3 H 1 2.66 0.03 . 2 . . . A 46 ASP HB3 . 18010 1 437 . 1 1 36 36 ASP C C 13 175.63 0.03 . 1 . . . A 46 ASP C . 18010 1 438 . 1 1 36 36 ASP CA C 13 51.97 0.2 . 1 . . . A 46 ASP CA . 18010 1 439 . 1 1 36 36 ASP CB C 13 43.13 0.2 . 1 . . . A 46 ASP CB . 18010 1 440 . 1 1 36 36 ASP N N 15 123.51 0.2 . 1 . . . A 46 ASP N . 18010 1 441 . 1 1 37 37 PRO HA H 1 4.45 0.03 . 1 . . . A 47 PRO HA . 18010 1 442 . 1 1 37 37 PRO HB2 H 1 2.38 0.03 . 1 . . . A 47 PRO HB2 . 18010 1 443 . 1 1 37 37 PRO HB3 H 1 2.38 0.03 . 1 . . . A 47 PRO HB3 . 18010 1 444 . 1 1 37 37 PRO HG2 H 1 2.05 0.03 . 1 . . . A 47 PRO HG2 . 18010 1 445 . 1 1 37 37 PRO HG3 H 1 2.05 0.03 . 1 . . . A 47 PRO HG3 . 18010 1 446 . 1 1 37 37 PRO HD2 H 1 3.97 0.03 . 1 . . . A 47 PRO HD2 . 18010 1 447 . 1 1 37 37 PRO HD3 H 1 3.97 0.03 . 1 . . . A 47 PRO HD3 . 18010 1 448 . 1 1 37 37 PRO C C 13 178.10 0.2 . 1 . . . A 47 PRO C . 18010 1 449 . 1 1 37 37 PRO CA C 13 64.09 0.2 . 1 . . . A 47 PRO CA . 18010 1 450 . 1 1 37 37 PRO CB C 13 32.04 0.2 . 1 . . . A 47 PRO CB . 18010 1 451 . 1 1 37 37 PRO CG C 13 27.04 0.2 . 1 . . . A 47 PRO CG . 18010 1 452 . 1 1 37 37 PRO CD C 13 51.00 0.2 . 1 . . . A 47 PRO CD . 18010 1 453 . 1 1 38 38 ARG H H 1 8.78 0.03 . 1 . . . A 48 ARG H . 18010 1 454 . 1 1 38 38 ARG HA H 1 4.09 0.03 . 1 . . . A 48 ARG HA . 18010 1 455 . 1 1 38 38 ARG HB2 H 1 1.38 0.03 . 1 . . . A 48 ARG HB2 . 18010 1 456 . 1 1 38 38 ARG HB3 H 1 1.38 0.03 . 1 . . . A 48 ARG HB3 . 18010 1 457 . 1 1 38 38 ARG HG2 H 1 1.54 0.03 . 1 . . . A 48 ARG HG2 . 18010 1 458 . 1 1 38 38 ARG HG3 H 1 1.54 0.03 . 1 . . . A 48 ARG HG3 . 18010 1 459 . 1 1 38 38 ARG HD2 H 1 3.04 0.03 . 2 . . . A 48 ARG HD2 . 18010 1 460 . 1 1 38 38 ARG HD3 H 1 3.18 0.03 . 2 . . . A 48 ARG HD3 . 18010 1 461 . 1 1 38 38 ARG HE H 1 7.57 0.03 . 1 . . . A 48 ARG HE . 18010 1 462 . 1 1 38 38 ARG C C 13 177.70 0.2 . 1 . . . A 48 ARG C . 18010 1 463 . 1 1 38 38 ARG CA C 13 57.81 0.2 . 1 . . . A 48 ARG CA . 18010 1 464 . 1 1 38 38 ARG CB C 13 30.16 0.2 . 1 . . . A 48 ARG CB . 18010 1 465 . 1 1 38 38 ARG CG C 13 26.49 0.2 . 1 . . . A 48 ARG CG . 18010 1 466 . 1 1 38 38 ARG CD C 13 43.06 0.2 . 1 . . . A 48 ARG CD . 18010 1 467 . 1 1 38 38 ARG N N 15 118.49 0.2 . 1 . . . A 48 ARG N . 18010 1 468 . 1 1 38 38 ARG NE N 15 84.71 0.2 . 1 . . . A 48 ARG NE . 18010 1 469 . 1 1 39 39 TYR H H 1 7.90 0.03 . 1 . . . A 49 TYR H . 18010 1 470 . 1 1 39 39 TYR HA H 1 4.53 0.03 . 1 . . . A 49 TYR HA . 18010 1 471 . 1 1 39 39 TYR HB2 H 1 3.22 0.03 . 2 . . . A 49 TYR HB2 . 18010 1 472 . 1 1 39 39 TYR HB3 H 1 3.02 0.03 . 2 . . . A 49 TYR HB3 . 18010 1 473 . 1 1 39 39 TYR HD1 H 1 7.06 0.03 . 3 . . . A 49 TYR HD1 . 18010 1 474 . 1 1 39 39 TYR HD2 H 1 7.91 0.03 . 3 . . . A 49 TYR HD2 . 18010 1 475 . 1 1 39 39 TYR HE1 H 1 6.74 0.03 . 1 . . . A 49 TYR HE1 . 18010 1 476 . 1 1 39 39 TYR HE2 H 1 6.74 0.03 . 1 . . . A 49 TYR HE2 . 18010 1 477 . 1 1 39 39 TYR C C 13 176.55 0.2 . 1 . . . A 49 TYR C . 18010 1 478 . 1 1 39 39 TYR CA C 13 58.95 0.2 . 1 . . . A 49 TYR CA . 18010 1 479 . 1 1 39 39 TYR CB C 13 38.99 0.2 . 1 . . . A 49 TYR CB . 18010 1 480 . 1 1 39 39 TYR CD1 C 13 132.14 0.2 . 1 . . . A 49 TYR CD1 . 18010 1 481 . 1 1 39 39 TYR CD2 C 13 137.79 0.2 . 1 . . . A 49 TYR CD2 . 18010 1 482 . 1 1 39 39 TYR CE1 C 13 117.46 0.2 . 1 . . . A 49 TYR CE1 . 18010 1 483 . 1 1 39 39 TYR CE2 C 13 117.46 0.2 . 1 . . . A 49 TYR CE2 . 18010 1 484 . 1 1 39 39 TYR N N 15 118.35 0.2 . 1 . . . A 49 TYR N . 18010 1 485 . 1 1 40 40 SER H H 1 7.93 0.03 . 1 . . . A 50 SER H . 18010 1 486 . 1 1 40 40 SER HA H 1 4.23 0.03 . 1 . . . A 50 SER HA . 18010 1 487 . 1 1 40 40 SER HB2 H 1 3.93 0.03 . 1 . . . A 50 SER HB2 . 18010 1 488 . 1 1 40 40 SER HB3 H 1 3.93 0.03 . 1 . . . A 50 SER HB3 . 18010 1 489 . 1 1 40 40 SER C C 13 175.57 0.2 . 1 . . . A 50 SER C . 18010 1 490 . 1 1 40 40 SER CA C 13 60.08 0.2 . 1 . . . A 50 SER CA . 18010 1 491 . 1 1 40 40 SER CB C 13 63.23 0.2 . 1 . . . A 50 SER CB . 18010 1 492 . 1 1 40 40 SER N N 15 115.79 0.2 . 1 . . . A 50 SER N . 18010 1 493 . 1 1 41 41 ALA H H 1 8.18 0.03 . 1 . . . A 51 ALA H . 18010 1 494 . 1 1 41 41 ALA HA H 1 4.23 0.03 . 1 . . . A 51 ALA HA . 18010 1 495 . 1 1 41 41 ALA HB1 H 1 1.44 0.03 . 1 . . . A 51 ALA HB1 . 18010 1 496 . 1 1 41 41 ALA HB2 H 1 1.44 0.03 . 1 . . . A 51 ALA HB2 . 18010 1 497 . 1 1 41 41 ALA HB3 H 1 1.44 0.03 . 1 . . . A 51 ALA HB3 . 18010 1 498 . 1 1 41 41 ALA C C 13 178.57 0.2 . 1 . . . A 51 ALA C . 18010 1 499 . 1 1 41 41 ALA CA C 13 53.88 0.2 . 1 . . . A 51 ALA CA . 18010 1 500 . 1 1 41 41 ALA CB C 13 18.84 0.2 . 1 . . . A 51 ALA CB . 18010 1 501 . 1 1 42 42 LEU H H 1 7.79 0.03 . 1 . . . A 52 LEU H . 18010 1 502 . 1 1 42 42 LEU HA H 1 4.17 0.03 . 1 . . . A 52 LEU HA . 18010 1 503 . 1 1 42 42 LEU HB2 H 1 1.53 0.03 . 1 . . . A 52 LEU HB2 . 18010 1 504 . 1 1 42 42 LEU HB3 H 1 1.53 0.03 . 1 . . . A 52 LEU HB3 . 18010 1 505 . 1 1 42 42 LEU HG H 1 1.72 0.03 . 1 . . . A 52 LEU HG . 18010 1 506 . 1 1 42 42 LEU HD11 H 1 0.88 0.03 . 1 . . . A 52 LEU HD11 . 18010 1 507 . 1 1 42 42 LEU HD12 H 1 0.88 0.03 . 1 . . . A 52 LEU HD12 . 18010 1 508 . 1 1 42 42 LEU HD13 H 1 0.88 0.03 . 1 . . . A 52 LEU HD13 . 18010 1 509 . 1 1 42 42 LEU HD21 H 1 0.83 0.03 . 1 . . . A 52 LEU HD21 . 18010 1 510 . 1 1 42 42 LEU HD22 H 1 0.83 0.03 . 1 . . . A 52 LEU HD22 . 18010 1 511 . 1 1 42 42 LEU HD23 H 1 0.83 0.03 . 1 . . . A 52 LEU HD23 . 18010 1 512 . 1 1 42 42 LEU C C 13 178.14 0.2 . 1 . . . A 52 LEU C . 18010 1 513 . 1 1 42 42 LEU CA C 13 56.16 0.2 . 1 . . . A 52 LEU CA . 18010 1 514 . 1 1 42 42 LEU CB C 13 42.07 0.2 . 1 . . . A 52 LEU CB . 18010 1 515 . 1 1 42 42 LEU CG C 13 26.72 0.2 . 1 . . . A 52 LEU CG . 18010 1 516 . 1 1 42 42 LEU CD1 C 13 24.90 0.2 . 1 . . . A 52 LEU CD1 . 18010 1 517 . 1 1 42 42 LEU CD2 C 13 23.25 0.2 . 1 . . . A 52 LEU CD2 . 18010 1 518 . 1 1 42 42 LEU N N 15 118.90 0.2 . 1 . . . A 52 LEU N . 18010 1 519 . 1 1 43 43 ALA H H 1 7.99 0.03 . 1 . . . A 53 ALA H . 18010 1 520 . 1 1 43 43 ALA HA H 1 4.11 0.03 . 1 . . . A 53 ALA HA . 18010 1 521 . 1 1 43 43 ALA HB1 H 1 1.35 0.03 . 1 . . . A 53 ALA HB1 . 18010 1 522 . 1 1 43 43 ALA HB2 H 1 1.35 0.03 . 1 . . . A 53 ALA HB2 . 18010 1 523 . 1 1 43 43 ALA HB3 H 1 1.35 0.03 . 1 . . . A 53 ALA HB3 . 18010 1 524 . 1 1 43 43 ALA C C 13 178.49 0.2 . 1 . . . A 53 ALA C . 18010 1 525 . 1 1 43 43 ALA CA C 13 53.59 0.2 . 1 . . . A 53 ALA CA . 18010 1 526 . 1 1 43 43 ALA CB C 13 18.84 0.2 . 1 . . . A 53 ALA CB . 18010 1 527 . 1 1 43 43 ALA N N 15 122.85 0.2 . 1 . . . A 53 ALA N . 18010 1 528 . 1 1 44 44 LYS H H 1 7.85 0.03 . 1 . . . A 54 LYS H . 18010 1 529 . 1 1 44 44 LYS HA H 1 4.23 0.03 . 1 . . . A 54 LYS HA . 18010 1 530 . 1 1 44 44 LYS HB2 H 1 1.82 0.03 . 1 . . . A 54 LYS HB2 . 18010 1 531 . 1 1 44 44 LYS HB3 H 1 1.82 0.03 . 1 . . . A 54 LYS HB3 . 18010 1 532 . 1 1 44 44 LYS HG2 H 1 1.49 0.03 . 1 . . . A 54 LYS HG2 . 18010 1 533 . 1 1 44 44 LYS HG3 H 1 1.49 0.03 . 1 . . . A 54 LYS HG3 . 18010 1 534 . 1 1 44 44 LYS HD2 H 1 1.68 0.03 . 1 . . . A 54 LYS HD2 . 18010 1 535 . 1 1 44 44 LYS HD3 H 1 1.68 0.03 . 1 . . . A 54 LYS HD3 . 18010 1 536 . 1 1 44 44 LYS HE2 H 1 2.99 0.03 . 1 . . . A 54 LYS HE2 . 18010 1 537 . 1 1 44 44 LYS HE3 H 1 2.99 0.03 . 1 . . . A 54 LYS HE3 . 18010 1 538 . 1 1 44 44 LYS CA C 13 56.97 0.2 . 1 . . . A 54 LYS CA . 18010 1 539 . 1 1 44 44 LYS CB C 13 32.60 0.2 . 1 . . . A 54 LYS CB . 18010 1 540 . 1 1 44 44 LYS CG C 13 24.63 0.2 . 1 . . . A 54 LYS CG . 18010 1 541 . 1 1 44 44 LYS CD C 13 29.66 0.2 . 1 . . . A 54 LYS CD . 18010 1 542 . 1 1 44 44 LYS CE C 13 41.83 0.2 . 1 . . . A 54 LYS CE . 18010 1 543 . 1 1 44 44 LYS N N 15 118.37 0.2 . 1 . . . A 54 LYS N . 18010 1 544 . 1 1 45 45 LEU H H 1 7.92 0.03 . 1 . . . A 55 LEU H . 18010 1 545 . 1 1 45 45 LEU HA H 1 4.28 0.03 . 1 . . . A 55 LEU HA . 18010 1 546 . 1 1 45 45 LEU HB2 H 1 1.75 0.03 . 1 . . . A 55 LEU HB2 . 18010 1 547 . 1 1 45 45 LEU HB3 H 1 1.75 0.03 . 1 . . . A 55 LEU HB3 . 18010 1 548 . 1 1 45 45 LEU HG H 1 1.61 0.03 . 1 . . . A 55 LEU HG . 18010 1 549 . 1 1 45 45 LEU HD11 H 1 0.92 0.03 . 1 . . . A 55 LEU HD11 . 18010 1 550 . 1 1 45 45 LEU HD12 H 1 0.92 0.03 . 1 . . . A 55 LEU HD12 . 18010 1 551 . 1 1 45 45 LEU HD13 H 1 0.92 0.03 . 1 . . . A 55 LEU HD13 . 18010 1 552 . 1 1 45 45 LEU HD21 H 1 0.86 0.03 . 1 . . . A 55 LEU HD21 . 18010 1 553 . 1 1 45 45 LEU HD22 H 1 0.86 0.03 . 1 . . . A 55 LEU HD22 . 18010 1 554 . 1 1 45 45 LEU HD23 H 1 0.86 0.03 . 1 . . . A 55 LEU HD23 . 18010 1 555 . 1 1 45 45 LEU C C 13 177.79 0.2 . 1 . . . A 55 LEU C . 18010 1 556 . 1 1 45 45 LEU CA C 13 56.05 0.2 . 1 . . . A 55 LEU CA . 18010 1 557 . 1 1 45 45 LEU CB C 13 42.22 0.2 . 1 . . . A 55 LEU CB . 18010 1 558 . 1 1 45 45 LEU CG C 13 26.80 0.2 . 1 . . . A 55 LEU CG . 18010 1 559 . 1 1 45 45 LEU CD1 C 13 24.91 0.2 . 1 . . . A 55 LEU CD1 . 18010 1 560 . 1 1 45 45 LEU CD2 C 13 23.15 0.2 . 1 . . . A 55 LEU CD2 . 18010 1 561 . 1 1 45 45 LEU N N 15 121.54 0.2 . 1 . . . A 55 LEU N . 18010 1 562 . 1 1 46 46 SER H H 1 8.04 0.03 . 1 . . . A 56 SER H . 18010 1 563 . 1 1 46 46 SER HA H 1 4.39 0.03 . 1 . . . A 56 SER HA . 18010 1 564 . 1 1 46 46 SER HB2 H 1 3.88 0.03 . 1 . . . A 56 SER HB2 . 18010 1 565 . 1 1 46 46 SER HB3 H 1 3.88 0.03 . 1 . . . A 56 SER HB3 . 18010 1 566 . 1 1 46 46 SER C C 13 174.45 0.2 . 1 . . . A 56 SER C . 18010 1 567 . 1 1 46 46 SER CA C 13 58.62 0.2 . 1 . . . A 56 SER CA . 18010 1 568 . 1 1 46 46 SER CB C 13 63.75 0.2 . 1 . . . A 56 SER CB . 18010 1 569 . 1 1 46 46 SER N N 15 115.10 0.2 . 1 . . . A 56 SER N . 18010 1 570 . 1 1 47 47 GLU H H 1 8.10 0.03 . 1 . . . . 57 GLU H . 18010 1 571 . 1 1 47 47 GLU HA H 1 4.28 0.03 . 1 . . . . 57 GLU HA . 18010 1 572 . 1 1 47 47 GLU HB2 H 1 1.99 0.03 . 1 . . . . 57 GLU HB2 . 18010 1 573 . 1 1 47 47 GLU HB3 H 1 1.99 0.03 . 1 . . . . 57 GLU HB3 . 18010 1 574 . 1 1 47 47 GLU HG2 H 1 2.29 0.03 . 1 . . . . 57 GLU HG2 . 18010 1 575 . 1 1 47 47 GLU HG3 H 1 2.29 0.03 . 1 . . . . 57 GLU HG3 . 18010 1 576 . 1 1 47 47 GLU C C 13 176.23 0.2 . 1 . . . . 57 GLU C . 18010 1 577 . 1 1 47 47 GLU CA C 13 56.56 0.2 . 1 . . . . 57 GLU CA . 18010 1 578 . 1 1 47 47 GLU CB C 13 30.39 0.2 . 1 . . . . 57 GLU CB . 18010 1 579 . 1 1 47 47 GLU CG C 13 35.77 0.2 . 1 . . . . 57 GLU CG . 18010 1 580 . 1 1 47 47 GLU N N 15 122.66 0.2 . 1 . . . . 57 GLU N . 18010 1 581 . 1 1 48 48 LYS H H 1 8.23 0.03 . 1 . . . . 58 LYS H . 18010 1 582 . 1 1 48 48 LYS HA H 1 4.31 0.03 . 1 . . . . 58 LYS HA . 18010 1 583 . 1 1 48 48 LYS HB2 H 1 1.82 0.03 . 1 . . . . 58 LYS HB2 . 18010 1 584 . 1 1 48 48 LYS HB3 H 1 1.82 0.03 . 1 . . . . 58 LYS HB3 . 18010 1 585 . 1 1 48 48 LYS HG2 H 1 1.44 0.03 . 1 . . . . 58 LYS HG2 . 18010 1 586 . 1 1 48 48 LYS HG3 H 1 1.44 0.03 . 1 . . . . 58 LYS HG3 . 18010 1 587 . 1 1 48 48 LYS HD2 H 1 1.68 0.03 . 1 . . . . 58 LYS HD2 . 18010 1 588 . 1 1 48 48 LYS HD3 H 1 1.68 0.03 . 1 . . . . 58 LYS HD3 . 18010 1 589 . 1 1 48 48 LYS HE2 H 1 2.99 0.03 . 1 . . . . 58 LYS HE2 . 18010 1 590 . 1 1 48 48 LYS HE3 H 1 2.99 0.03 . 1 . . . . 58 LYS HE3 . 18010 1 591 . 1 1 48 48 LYS C C 13 176.20 0.2 . 1 . . . . 58 LYS C . 18010 1 592 . 1 1 48 48 LYS CA C 13 56.29 0.2 . 1 . . . . 58 LYS CA . 18010 1 593 . 1 1 48 48 LYS CB C 13 33.07 0.2 . 1 . . . . 58 LYS CB . 18010 1 594 . 1 1 48 48 LYS CG C 13 24.40 0.2 . 1 . . . . 58 LYS CG . 18010 1 595 . 1 1 48 48 LYS CD C 13 28.81 0.2 . 1 . . . . 58 LYS CD . 18010 1 596 . 1 1 48 48 LYS CE C 13 41.90 0.2 . 1 . . . . 58 LYS CE . 18010 1 597 . 1 1 48 48 LYS N N 15 122.74 0.2 . 1 . . . . 58 LYS N . 18010 1 598 . 1 1 49 49 LYS H H 1 8.38 0.03 . 1 . . . . 59 LYS H . 18010 1 599 . 1 1 49 49 LYS HA H 1 4.33 0.03 . 1 . . . . 59 LYS HA . 18010 1 600 . 1 1 49 49 LYS HB2 H 1 1.86 0.03 . 1 . . . . 59 LYS HB2 . 18010 1 601 . 1 1 49 49 LYS HB3 H 1 1.86 0.03 . 1 . . . . 59 LYS HB3 . 18010 1 602 . 1 1 49 49 LYS HG2 H 1 1.46 0.03 . 1 . . . . 59 LYS HG2 . 18010 1 603 . 1 1 49 49 LYS HG3 H 1 1.46 0.03 . 1 . . . . 59 LYS HG3 . 18010 1 604 . 1 1 49 49 LYS HD2 H 1 1.69 0.03 . 1 . . . . 59 LYS HD2 . 18010 1 605 . 1 1 49 49 LYS HD3 H 1 1.69 0.03 . 1 . . . . 59 LYS HD3 . 18010 1 606 . 1 1 49 49 LYS HE2 H 1 3.00 0.03 . 1 . . . . 59 LYS HE2 . 18010 1 607 . 1 1 49 49 LYS HE3 H 1 3.00 0.03 . 1 . . . . 59 LYS HE3 . 18010 1 608 . 1 1 49 49 LYS C C 13 175.65 0.2 . 1 . . . . 59 LYS C . 18010 1 609 . 1 1 49 49 LYS CA C 13 56.27 0.2 . 1 . . . . 59 LYS CA . 18010 1 610 . 1 1 49 49 LYS CB C 13 32.76 0.2 . 1 . . . . 59 LYS CB . 18010 1 611 . 1 1 49 49 LYS CG C 13 24.40 0.2 . 1 . . . . 59 LYS CG . 18010 1 612 . 1 1 49 49 LYS CD C 13 28.75 0.2 . 1 . . . . 59 LYS CD . 18010 1 613 . 1 1 49 49 LYS CE C 13 41.90 0.2 . 1 . . . . 59 LYS CE . 18010 1 614 . 1 1 49 49 LYS N N 15 124.38 0.2 . 1 . . . . 59 LYS N . 18010 1 615 . 1 1 50 50 GLN H H 1 8.02 0.03 . 1 . . . . 60 GLN H . 18010 1 616 . 1 1 50 50 GLN HE21 H 1 7.54 0.03 . 2 . . . . 60 GLN HE21 . 18010 1 617 . 1 1 50 50 GLN HE22 H 1 6.82 0.03 . 2 . . . . 60 GLN HE22 . 18010 1 618 . 1 1 50 50 GLN C C 13 180.39 0.2 . 1 . . . . 60 GLN C . 18010 1 619 . 1 1 50 50 GLN CA C 13 57.19 0.2 . 1 . . . . 60 GLN CA . 18010 1 620 . 1 1 50 50 GLN CB C 13 30.55 0.2 . 1 . . . . 60 GLN CB . 18010 1 621 . 1 1 50 50 GLN N N 15 127.09 0.2 . 1 . . . . 60 GLN N . 18010 1 622 . 1 1 50 50 GLN NE2 N 15 112.53 0.2 . 1 . . . . 60 GLN NE2 . 18010 1 stop_ save_