################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50404 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'RocC 24-230' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _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' . . . 50404 1 2 '3D CBCA(CO)NH' . . . 50404 1 3 '3D HNCACB' . . . 50404 1 4 '3D HCCH-TOCSY' . . . 50404 1 5 '3D 1H-15N TOCSY' . . . 50404 1 6 '3D HNCO' . . . 50404 1 7 '3D H(CCO)NH-TOCSY' . . . 50404 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 $software_1 . . 50404 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 25 25 ARG HA H 1 4.378 0.05 . 1 . . . . . 25 R HA . 50404 1 2 . 1 . 1 25 25 ARG HB2 H 1 1.804 0.05 . 1 . . . . . 25 R QB . 50404 1 3 . 1 . 1 25 25 ARG HB3 H 1 1.804 0.05 . 1 . . . . . 25 R QB . 50404 1 4 . 1 . 1 25 25 ARG HD2 H 1 3.221 0.05 . 1 . . . . . 25 R QD . 50404 1 5 . 1 . 1 25 25 ARG HD3 H 1 3.221 0.05 . 1 . . . . . 25 R QD . 50404 1 6 . 1 . 1 25 25 ARG C C 13 176.206 0.1 . 1 . . . . . 25 R C . 50404 1 7 . 1 . 1 25 25 ARG CA C 13 56.453 0.015 . 1 . . . . . 25 R CA . 50404 1 8 . 1 . 1 25 25 ARG CB C 13 31.386 0.015 . 1 . . . . . 25 R CB . 50404 1 9 . 1 . 1 26 26 SER H H 1 8.153 0 . 1 . . . . . 26 S HN . 50404 1 10 . 1 . 1 26 26 SER CA C 13 57.436 0.015 . 1 . . . . . 26 S CA . 50404 1 11 . 1 . 1 26 26 SER CB C 13 63.851 0.015 . 1 . . . . . 26 S CB . 50404 1 12 . 1 . 1 26 26 SER N N 15 116.614 0.05 . 1 . . . . . 26 S N . 50404 1 13 . 1 . 1 27 27 ASP HA H 1 4.47 0.05 . 1 . . . . . 27 D HA . 50404 1 14 . 1 . 1 27 27 ASP HB2 H 1 2.668 0.05 . 1 . . . . . 27 D QB . 50404 1 15 . 1 . 1 27 27 ASP HB3 H 1 2.668 0.05 . 1 . . . . . 27 D QB . 50404 1 16 . 1 . 1 27 27 ASP C C 13 178.414 0.1 . 1 . . . . . 27 D C . 50404 1 17 . 1 . 1 27 27 ASP CA C 13 56.382 0.015 . 1 . . . . . 27 D CA . 50404 1 18 . 1 . 1 27 27 ASP CB C 13 41.134 0.015 . 1 . . . . . 27 D CB . 50404 1 19 . 1 . 1 28 28 ALA H H 1 8.857 0 . 1 . . . . . 28 A HN . 50404 1 20 . 1 . 1 28 28 ALA HA H 1 4.061 0.05 . 1 . . . . . 28 A HA . 50404 1 21 . 1 . 1 28 28 ALA HB1 H 1 1.273 0.05 . 1 . . . . . 28 A HB . 50404 1 22 . 1 . 1 28 28 ALA HB2 H 1 1.273 0.05 . 1 . . . . . 28 A HB . 50404 1 23 . 1 . 1 28 28 ALA HB3 H 1 1.273 0.05 . 1 . . . . . 28 A HB . 50404 1 24 . 1 . 1 28 28 ALA C C 13 178.564 0.1 . 1 . . . . . 28 A C . 50404 1 25 . 1 . 1 28 28 ALA CA C 13 55.468 0.015 . 1 . . . . . 28 A CA . 50404 1 26 . 1 . 1 28 28 ALA CB C 13 20.102 0.015 . 1 . . . . . 28 A CB . 50404 1 27 . 1 . 1 28 28 ALA N N 15 124.157 0.05 . 1 . . . . . 28 A N . 50404 1 28 . 1 . 1 29 29 LEU H H 1 8.113 0 . 1 . . . . . 29 L HN . 50404 1 29 . 1 . 1 29 29 LEU HA H 1 4.079 0.05 . 1 . . . . . 29 L HA . 50404 1 30 . 1 . 1 29 29 LEU HB2 H 1 1.838 0.05 . 1 . . . . . 29 L HB2 . 50404 1 31 . 1 . 1 29 29 LEU HB3 H 1 1.789 0.05 . 1 . . . . . 29 L HB3 . 50404 1 32 . 1 . 1 29 29 LEU HG H 1 1.168 0.05 . 1 . . . . . 29 L HG . 50404 1 33 . 1 . 1 29 29 LEU C C 13 179.509 0.1 . 1 . . . . . 29 L C . 50404 1 34 . 1 . 1 29 29 LEU CA C 13 57.947 0.015 . 1 . . . . . 29 L CA . 50404 1 35 . 1 . 1 29 29 LEU CB C 13 41.128 0.015 . 1 . . . . . 29 L CB . 50404 1 36 . 1 . 1 29 29 LEU CG C 13 27.547 0.015 . 1 . . . . . 29 L CG . 50404 1 37 . 1 . 1 29 29 LEU CD1 C 13 24.248 0.015 . 1 . . . . . 29 L CD1 . 50404 1 38 . 1 . 1 29 29 LEU CD2 C 13 24.638 0.015 . 1 . . . . . 29 L CD2 . 50404 1 39 . 1 . 1 29 29 LEU N N 15 119.292 0.05 . 1 . . . . . 29 L N . 50404 1 40 . 1 . 1 30 30 LEU H H 1 8.348 0 . 1 . . . . . 30 L HN . 50404 1 41 . 1 . 1 30 30 LEU HA H 1 4.073 0.05 . 1 . . . . . 30 L HA . 50404 1 42 . 1 . 1 30 30 LEU HB2 H 1 1.882 0.05 . 1 . . . . . 30 L QB . 50404 1 43 . 1 . 1 30 30 LEU HB3 H 1 1.882 0.05 . 1 . . . . . 30 L QB . 50404 1 44 . 1 . 1 30 30 LEU HG H 1 1.597 0.05 . 1 . . . . . 30 L HG . 50404 1 45 . 1 . 1 30 30 LEU HD11 H 1 0.926 0.05 . 1 . . . . . 30 L QQD . 50404 1 46 . 1 . 1 30 30 LEU HD12 H 1 0.926 0.05 . 1 . . . . . 30 L QQD . 50404 1 47 . 1 . 1 30 30 LEU HD13 H 1 0.926 0.05 . 1 . . . . . 30 L QQD . 50404 1 48 . 1 . 1 30 30 LEU HD21 H 1 0.926 0.05 . 1 . . . . . 30 L QQD . 50404 1 49 . 1 . 1 30 30 LEU HD22 H 1 0.926 0.05 . 1 . . . . . 30 L QQD . 50404 1 50 . 1 . 1 30 30 LEU HD23 H 1 0.926 0.05 . 1 . . . . . 30 L QQD . 50404 1 51 . 1 . 1 30 30 LEU C C 13 179.839 0.1 . 1 . . . . . 30 L C . 50404 1 52 . 1 . 1 30 30 LEU CA C 13 58.027 0.015 . 1 . . . . . 30 L CA . 50404 1 53 . 1 . 1 30 30 LEU CB C 13 41.215 0.015 . 1 . . . . . 30 L CB . 50404 1 54 . 1 . 1 30 30 LEU CG C 13 25.331 0.015 . 1 . . . . . 30 L CG . 50404 1 55 . 1 . 1 30 30 LEU CD1 C 13 23.247 0.015 . 1 . . . . . 30 L CD1 . 50404 1 56 . 1 . 1 30 30 LEU CD2 C 13 23.48 0.015 . 1 . . . . . 30 L CD2 . 50404 1 57 . 1 . 1 30 30 LEU N N 15 119.854 0.05 . 1 . . . . . 30 L N . 50404 1 58 . 1 . 1 31 31 TRP H H 1 8.121 0 . 1 . . . . . 31 W HN . 50404 1 59 . 1 . 1 31 31 TRP HA H 1 4.012 0.05 . 1 . . . . . 31 W HA . 50404 1 60 . 1 . 1 31 31 TRP HB2 H 1 3.288 0.05 . 1 . . . . . 31 W HB2 . 50404 1 61 . 1 . 1 31 31 TRP HB3 H 1 3.481 0.05 . 1 . . . . . 31 W HB3 . 50404 1 62 . 1 . 1 31 31 TRP HE1 H 1 10.154 0.05 . 1 . . . . . 31 W HE1 . 50404 1 63 . 1 . 1 31 31 TRP HE3 H 1 7.291 0.05 . 1 . . . . . 31 W HE3 . 50404 1 64 . 1 . 1 31 31 TRP C C 13 179.982 0.1 . 1 . . . . . 31 W C . 50404 1 65 . 1 . 1 31 31 TRP CA C 13 63.046 0.015 . 1 . . . . . 31 W CA . 50404 1 66 . 1 . 1 31 31 TRP CB C 13 28.773 0.015 . 1 . . . . . 31 W CB . 50404 1 67 . 1 . 1 31 31 TRP N N 15 121.631 0.05 . 1 . . . . . 31 W N . 50404 1 68 . 1 . 1 31 31 TRP NE1 N 15 130.449 0.05 . 1 . . . . . 31 W NE1 . 50404 1 69 . 1 . 1 32 32 LEU H H 1 8.598 0 . 1 . . . . . 32 L HN . 50404 1 70 . 1 . 1 32 32 LEU HA H 1 3.652 0.05 . 1 . . . . . 32 L HA . 50404 1 71 . 1 . 1 32 32 LEU HB2 H 1 1.711 0.05 . 1 . . . . . 32 L QB . 50404 1 72 . 1 . 1 32 32 LEU HB3 H 1 1.711 0.05 . 1 . . . . . 32 L QB . 50404 1 73 . 1 . 1 32 32 LEU HD11 H 1 0.667 0.05 . 1 . . . . . 32 L QQD . 50404 1 74 . 1 . 1 32 32 LEU HD12 H 1 0.667 0.05 . 1 . . . . . 32 L QQD . 50404 1 75 . 1 . 1 32 32 LEU HD13 H 1 0.667 0.05 . 1 . . . . . 32 L QQD . 50404 1 76 . 1 . 1 32 32 LEU HD21 H 1 0.667 0.05 . 1 . . . . . 32 L QQD . 50404 1 77 . 1 . 1 32 32 LEU HD22 H 1 0.667 0.05 . 1 . . . . . 32 L QQD . 50404 1 78 . 1 . 1 32 32 LEU HD23 H 1 0.667 0.05 . 1 . . . . . 32 L QQD . 50404 1 79 . 1 . 1 32 32 LEU C C 13 178.273 0.1 . 1 . . . . . 32 L C . 50404 1 80 . 1 . 1 32 32 LEU CA C 13 58.386 0.015 . 1 . . . . . 32 L CA . 50404 1 81 . 1 . 1 32 32 LEU CB C 13 41.113 0.015 . 1 . . . . . 32 L CB . 50404 1 82 . 1 . 1 32 32 LEU CG C 13 27.343 0.015 . 1 . . . . . 32 L CG . 50404 1 83 . 1 . 1 32 32 LEU CD1 C 13 24.625 0.015 . 1 . . . . . 32 L CD1 . 50404 1 84 . 1 . 1 32 32 LEU CD2 C 13 24.781 0.015 . 1 . . . . . 32 L CD2 . 50404 1 85 . 1 . 1 32 32 LEU N N 15 121.894 0.05 . 1 . . . . . 32 L N . 50404 1 86 . 1 . 1 33 33 ALA H H 1 8.367 0 . 1 . . . . . 33 A HN . 50404 1 87 . 1 . 1 33 33 ALA HA H 1 3.561 0.05 . 1 . . . . . 33 A HA . 50404 1 88 . 1 . 1 33 33 ALA HB1 H 1 1.387 0.05 . 1 . . . . . 33 A HB . 50404 1 89 . 1 . 1 33 33 ALA HB2 H 1 1.387 0.05 . 1 . . . . . 33 A HB . 50404 1 90 . 1 . 1 33 33 ALA HB3 H 1 1.387 0.05 . 1 . . . . . 33 A HB . 50404 1 91 . 1 . 1 33 33 ALA C C 13 178.593 0.1 . 1 . . . . . 33 A C . 50404 1 92 . 1 . 1 33 33 ALA CA C 13 55.161 0.015 . 1 . . . . . 33 A CA . 50404 1 93 . 1 . 1 33 33 ALA CB C 13 18.465 0.015 . 1 . . . . . 33 A CB . 50404 1 94 . 1 . 1 33 33 ALA N N 15 120.138 0.05 . 1 . . . . . 33 A N . 50404 1 95 . 1 . 1 34 34 ALA H H 1 7.631 0 . 1 . . . . . 34 A HN . 50404 1 96 . 1 . 1 34 34 ALA HA H 1 3.976 0.05 . 1 . . . . . 34 A HA . 50404 1 97 . 1 . 1 34 34 ALA HB1 H 1 1.244 0.05 . 1 . . . . . 34 A HB . 50404 1 98 . 1 . 1 34 34 ALA HB2 H 1 1.244 0.05 . 1 . . . . . 34 A HB . 50404 1 99 . 1 . 1 34 34 ALA HB3 H 1 1.244 0.05 . 1 . . . . . 34 A HB . 50404 1 100 . 1 . 1 34 34 ALA C C 13 179.205 0.1 . 1 . . . . . 34 A C . 50404 1 101 . 1 . 1 34 34 ALA CA C 13 53.655 0.015 . 1 . . . . . 34 A CA . 50404 1 102 . 1 . 1 34 34 ALA CB C 13 18.776 0.015 . 1 . . . . . 34 A CB . 50404 1 103 . 1 . 1 34 34 ALA N N 15 116.447 0.05 . 1 . . . . . 34 A N . 50404 1 104 . 1 . 1 35 35 ASN H H 1 7.266 0 . 1 . . . . . 35 N HN . 50404 1 105 . 1 . 1 35 35 ASN HA H 1 4.193 0.05 . 1 . . . . . 35 N HA . 50404 1 106 . 1 . 1 35 35 ASN HB2 H 1 2.521 0.05 . 1 . . . . . 35 N QB . 50404 1 107 . 1 . 1 35 35 ASN HB3 H 1 2.521 0.05 . 1 . . . . . 35 N QB . 50404 1 108 . 1 . 1 35 35 ASN C C 13 173.724 0.1 . 1 . . . . . 35 N C . 50404 1 109 . 1 . 1 35 35 ASN CA C 13 55.512 0.015 . 1 . . . . . 35 N CA . 50404 1 110 . 1 . 1 35 35 ASN CB C 13 39.468 0.015 . 1 . . . . . 35 N CB . 50404 1 111 . 1 . 1 35 35 ASN N N 15 113.894 0.05 . 1 . . . . . 35 N N . 50404 1 112 . 1 . 1 36 36 PHE H H 1 8.144 0 . 1 . . . . . 36 F HN . 50404 1 113 . 1 . 1 36 36 PHE HA H 1 5.286 0.05 . 1 . . . . . 36 F HA . 50404 1 114 . 1 . 1 36 36 PHE HB2 H 1 3.013 0.05 . 1 . . . . . 36 F QB . 50404 1 115 . 1 . 1 36 36 PHE HB3 H 1 3.013 0.05 . 1 . . . . . 36 F QB . 50404 1 116 . 1 . 1 36 36 PHE CA C 13 54.885 0.015 . 1 . . . . . 36 F CA . 50404 1 117 . 1 . 1 36 36 PHE CB C 13 38.925 0.015 . 1 . . . . . 36 F CB . 50404 1 118 . 1 . 1 36 36 PHE N N 15 117.251 0.05 . 1 . . . . . 36 F N . 50404 1 119 . 1 . 1 37 37 PRO HA H 1 4.418 0.05 . 1 . . . . . 37 P HA . 50404 1 120 . 1 . 1 37 37 PRO HB2 H 1 2.532 0.05 . 1 . . . . . 37 P HB2 . 50404 1 121 . 1 . 1 37 37 PRO HB3 H 1 2.029 0.05 . 1 . . . . . 37 P HB3 . 50404 1 122 . 1 . 1 37 37 PRO HG2 H 1 2.029 0 . 1 . . . . . 37 P HG2 . 50404 1 123 . 1 . 1 37 37 PRO HG3 H 1 2.532 0 . 1 . . . . . 37 P HG3 . 50404 1 124 . 1 . 1 37 37 PRO C C 13 179.77 0.1 . 1 . . . . . 37 P C . 50404 1 125 . 1 . 1 37 37 PRO CA C 13 64.673 0.015 . 1 . . . . . 37 P CA . 50404 1 126 . 1 . 1 37 37 PRO CB C 13 31.942 0.015 . 1 . . . . . 37 P CB . 50404 1 127 . 1 . 1 37 37 PRO CG C 13 27.329 0.015 . 1 . . . . . 37 P CG . 50404 1 128 . 1 . 1 37 37 PRO CD C 13 50.619 0.015 . 1 . . . . . 37 P CD . 50404 1 129 . 1 . 1 38 38 GLU H H 1 9.006 0 . 1 . . . . . 38 E HN . 50404 1 130 . 1 . 1 38 38 GLU HA H 1 3.826 0.05 . 1 . . . . . 38 E HA . 50404 1 131 . 1 . 1 38 38 GLU HB2 H 1 1.706 0.05 . 1 . . . . . 38 E HB2 . 50404 1 132 . 1 . 1 38 38 GLU HG2 H 1 2.247 0 . 1 . . . . . 38 E HG2 . 50404 1 133 . 1 . 1 38 38 GLU C C 13 176.303 0.1 . 1 . . . . . 38 E C . 50404 1 134 . 1 . 1 38 38 GLU CA C 13 58.833 0.015 . 1 . . . . . 38 E CA . 50404 1 135 . 1 . 1 38 38 GLU CB C 13 28.555 0.015 . 1 . . . . . 38 E CB . 50404 1 136 . 1 . 1 38 38 GLU CG C 13 35.785 0.015 . 1 . . . . . 38 E CG . 50404 1 137 . 1 . 1 38 38 GLU N N 15 115.926 0.05 . 1 . . . . . 38 E N . 50404 1 138 . 1 . 1 39 39 ALA H H 1 6.893 0 . 1 . . . . . 39 A HN . 50404 1 139 . 1 . 1 39 39 ALA HA H 1 4.331 0.05 . 1 . . . . . 39 A HA . 50404 1 140 . 1 . 1 39 39 ALA HB1 H 1 0.922 0.05 . 1 . . . . . 39 A HB . 50404 1 141 . 1 . 1 39 39 ALA HB2 H 1 0.922 0.05 . 1 . . . . . 39 A HB . 50404 1 142 . 1 . 1 39 39 ALA HB3 H 1 0.922 0.05 . 1 . . . . . 39 A HB . 50404 1 143 . 1 . 1 39 39 ALA C C 13 177.991 0.1 . 1 . . . . . 39 A C . 50404 1 144 . 1 . 1 39 39 ALA CA C 13 52.568 0.015 . 1 . . . . . 39 A CA . 50404 1 145 . 1 . 1 39 39 ALA CB C 13 22.041 0.015 . 1 . . . . . 39 A CB . 50404 1 146 . 1 . 1 39 39 ALA N N 15 115.568 0.05 . 1 . . . . . 39 A N . 50404 1 147 . 1 . 1 40 40 PHE H H 1 7.797 0 . 1 . . . . . 40 F HN . 50404 1 148 . 1 . 1 40 40 PHE HA H 1 4.615 0.05 . 1 . . . . . 40 F HA . 50404 1 149 . 1 . 1 40 40 PHE C C 13 174.891 0.1 . 1 . . . . . 40 F C . 50404 1 150 . 1 . 1 40 40 PHE CA C 13 58.826 0.015 . 1 . . . . . 40 F CA . 50404 1 151 . 1 . 1 40 40 PHE CB C 13 40.839 0.015 . 1 . . . . . 40 F CB . 50404 1 152 . 1 . 1 40 40 PHE N N 15 110.111 0.05 . 1 . . . . . 40 F N . 50404 1 153 . 1 . 1 41 41 ASP H H 1 8.105 0 . 1 . . . . . 41 D HN . 50404 1 154 . 1 . 1 41 41 ASP HA H 1 5.036 0.05 . 1 . . . . . 41 D HA . 50404 1 155 . 1 . 1 41 41 ASP HB2 H 1 3.431 0.05 . 1 . . . . . 41 D HB2 . 50404 1 156 . 1 . 1 41 41 ASP HB3 H 1 2.531 0.05 . 1 . . . . . 41 D HB3 . 50404 1 157 . 1 . 1 41 41 ASP C C 13 176.459 0.1 . 1 . . . . . 41 D C . 50404 1 158 . 1 . 1 41 41 ASP CA C 13 53.474 0.015 . 1 . . . . . 41 D CA . 50404 1 159 . 1 . 1 41 41 ASP CB C 13 40.677 0.015 . 1 . . . . . 41 D CB . 50404 1 160 . 1 . 1 41 41 ASP N N 15 118.025 0.05 . 1 . . . . . 41 D N . 50404 1 161 . 1 . 1 42 42 ASN H H 1 8.65 0 . 1 . . . . . 42 N HN . 50404 1 162 . 1 . 1 42 42 ASN HA H 1 5.323 0.05 . 1 . . . . . 42 N HA . 50404 1 163 . 1 . 1 42 42 ASN HB2 H 1 2.868 0.05 . 1 . . . . . 42 N QB . 50404 1 164 . 1 . 1 42 42 ASN HB3 H 1 2.868 0.05 . 1 . . . . . 42 N QB . 50404 1 165 . 1 . 1 42 42 ASN HD21 H 1 7.717 0.05 . 1 . . . . . 42 N HD21 . 50404 1 166 . 1 . 1 42 42 ASN HD22 H 1 7.075 0.05 . 1 . . . . . 42 N HD22 . 50404 1 167 . 1 . 1 42 42 ASN C C 13 175.605 0.1 . 1 . . . . . 42 N C . 50404 1 168 . 1 . 1 42 42 ASN CA C 13 53.126 0.015 . 1 . . . . . 42 N CA . 50404 1 169 . 1 . 1 42 42 ASN CB C 13 38.615 0.015 . 1 . . . . . 42 N CB . 50404 1 170 . 1 . 1 42 42 ASN N N 15 124.512 0.05 . 1 . . . . . 42 N N . 50404 1 171 . 1 . 1 42 42 ASN ND2 N 15 112.342 0 . 1 . . . . . 42 N ND2 . 50404 1 172 . 1 . 1 43 43 SER H H 1 8.48 0 . 1 . . . . . 43 S HN . 50404 1 173 . 1 . 1 43 43 SER HA H 1 3.918 0.05 . 1 . . . . . 43 S HA . 50404 1 174 . 1 . 1 43 43 SER C C 13 175.15 0.1 . 1 . . . . . 43 S C . 50404 1 175 . 1 . 1 43 43 SER CA C 13 61.396 0.015 . 1 . . . . . 43 S CA . 50404 1 176 . 1 . 1 43 43 SER CB C 13 62.739 0.015 . 1 . . . . . 43 S CB . 50404 1 177 . 1 . 1 43 43 SER N N 15 117.091 0.05 . 1 . . . . . 43 S N . 50404 1 178 . 1 . 1 44 44 LEU H H 1 8.47 0 . 1 . . . . . 44 L HN . 50404 1 179 . 1 . 1 44 44 LEU HA H 1 4.502 0.05 . 1 . . . . . 44 L HA . 50404 1 180 . 1 . 1 44 44 LEU HB2 H 1 1.668 0.05 . 1 . . . . . 44 L QB . 50404 1 181 . 1 . 1 44 44 LEU HB3 H 1 1.668 0.05 . 1 . . . . . 44 L QB . 50404 1 182 . 1 . 1 44 44 LEU HG H 1 1.536 0.05 . 1 . . . . . 44 L HG . 50404 1 183 . 1 . 1 44 44 LEU HD11 H 1 0.872 0.05 . 1 . . . . . 44 L QQD . 50404 1 184 . 1 . 1 44 44 LEU HD12 H 1 0.872 0.05 . 1 . . . . . 44 L QQD . 50404 1 185 . 1 . 1 44 44 LEU HD13 H 1 0.872 0.05 . 1 . . . . . 44 L QQD . 50404 1 186 . 1 . 1 44 44 LEU HD21 H 1 0.872 0.05 . 1 . . . . . 44 L QQD . 50404 1 187 . 1 . 1 44 44 LEU HD22 H 1 0.872 0.05 . 1 . . . . . 44 L QQD . 50404 1 188 . 1 . 1 44 44 LEU HD23 H 1 0.872 0.05 . 1 . . . . . 44 L QQD . 50404 1 189 . 1 . 1 44 44 LEU C C 13 176.736 0.1 . 1 . . . . . 44 L C . 50404 1 190 . 1 . 1 44 44 LEU CA C 13 55.631 0.015 . 1 . . . . . 44 L CA . 50404 1 191 . 1 . 1 44 44 LEU CB C 13 43.619 0.015 . 1 . . . . . 44 L CB . 50404 1 192 . 1 . 1 44 44 LEU CG C 13 26.87 0.015 . 1 . . . . . 44 L CG . 50404 1 193 . 1 . 1 44 44 LEU CD1 C 13 23.095 0.015 . 1 . . . . . 44 L CD1 . 50404 1 194 . 1 . 1 44 44 LEU CD2 C 13 24.983 0.015 . 1 . . . . . 44 L CD2 . 50404 1 195 . 1 . 1 44 44 LEU N N 15 120.99 0.05 . 1 . . . . . 44 L N . 50404 1 196 . 1 . 1 45 45 ARG H H 1 7.801 0 . 1 . . . . . 45 R HN . 50404 1 197 . 1 . 1 45 45 ARG HA H 1 4.54 0.05 . 1 . . . . . 45 R HA . 50404 1 198 . 1 . 1 45 45 ARG HB2 H 1 1.993 0.05 . 1 . . . . . 45 R QB . 50404 1 199 . 1 . 1 45 45 ARG HB3 H 1 1.993 0.05 . 1 . . . . . 45 R QB . 50404 1 200 . 1 . 1 45 45 ARG HG2 H 1 1.522 0.05 . 1 . . . . . 45 R QG . 50404 1 201 . 1 . 1 45 45 ARG HG3 H 1 1.522 0.05 . 1 . . . . . 45 R QG . 50404 1 202 . 1 . 1 45 45 ARG HD2 H 1 3.043 0.05 . 1 . . . . . 45 R QD . 50404 1 203 . 1 . 1 45 45 ARG HD3 H 1 3.043 0.05 . 1 . . . . . 45 R QD . 50404 1 204 . 1 . 1 45 45 ARG C C 13 173.064 0.1 . 1 . . . . . 45 R C . 50404 1 205 . 1 . 1 45 45 ARG CA C 13 55.077 0.015 . 1 . . . . . 45 R CA . 50404 1 206 . 1 . 1 45 45 ARG CB C 13 31.987 0.015 . 1 . . . . . 45 R CB . 50404 1 207 . 1 . 1 45 45 ARG CG C 13 25.39 0.015 . 1 . . . . . 45 R CG . 50404 1 208 . 1 . 1 45 45 ARG CD C 13 43.87 0.015 . 1 . . . . . 45 R CD . 50404 1 209 . 1 . 1 45 45 ARG N N 15 116.395 0.05 . 1 . . . . . 45 R N . 50404 1 210 . 1 . 1 46 46 ILE H H 1 8.127 0 . 1 . . . . . 46 I HN . 50404 1 211 . 1 . 1 46 46 ILE HA H 1 4.367 0.05 . 1 . . . . . 46 I HA . 50404 1 212 . 1 . 1 46 46 ILE HB H 1 1.666 0.05 . 1 . . . . . 46 I HB . 50404 1 213 . 1 . 1 46 46 ILE HD11 H 1 0.937 0.05 . 1 . . . . . 46 I QD1 . 50404 1 214 . 1 . 1 46 46 ILE HD12 H 1 0.937 0.05 . 1 . . . . . 46 I QD1 . 50404 1 215 . 1 . 1 46 46 ILE HD13 H 1 0.937 0.05 . 1 . . . . . 46 I QD1 . 50404 1 216 . 1 . 1 46 46 ILE C C 13 173.514 0.1 . 1 . . . . . 46 I C . 50404 1 217 . 1 . 1 46 46 ILE CA C 13 61.927 0.015 . 1 . . . . . 46 I CA . 50404 1 218 . 1 . 1 46 46 ILE CB C 13 41.209 0.015 . 1 . . . . . 46 I CB . 50404 1 219 . 1 . 1 46 46 ILE CG1 C 13 28.554 0.015 . 1 . . . . . 46 I CG1 . 50404 1 220 . 1 . 1 46 46 ILE CG2 C 13 16.749 0.015 . 1 . . . . . 46 I CG2 . 50404 1 221 . 1 . 1 46 46 ILE CD1 C 13 14.534 0.015 . 1 . . . . . 46 I CD1 . 50404 1 222 . 1 . 1 46 46 ILE N N 15 120.371 0.05 . 1 . . . . . 46 I N . 50404 1 223 . 1 . 1 47 47 ARG H H 1 7.727 0 . 1 . . . . . 47 R HN . 50404 1 224 . 1 . 1 47 47 ARG HA H 1 4.908 0.05 . 1 . . . . . 47 R HA . 50404 1 225 . 1 . 1 47 47 ARG HB2 H 1 1.639 0.05 . 1 . . . . . 47 R HB2 . 50404 1 226 . 1 . 1 47 47 ARG HB3 H 1 1.642 0.05 . 1 . . . . . 47 R HB3 . 50404 1 227 . 1 . 1 47 47 ARG CA C 13 53.475 0.015 . 1 . . . . . 47 R CA . 50404 1 228 . 1 . 1 47 47 ARG CB C 13 33.354 0.015 . 1 . . . . . 47 R CB . 50404 1 229 . 1 . 1 47 47 ARG N N 15 124.987 0.05 . 1 . . . . . 47 R N . 50404 1 230 . 1 . 1 48 48 PRO HA H 1 4.115 0.05 . 1 . . . . . 48 P HA . 50404 1 231 . 1 . 1 48 48 PRO HB2 H 1 1.8 0.05 . 1 . . . . . 48 P QB . 50404 1 232 . 1 . 1 48 48 PRO HB3 H 1 1.8 0.05 . 1 . . . . . 48 P QB . 50404 1 233 . 1 . 1 48 48 PRO C C 13 174.758 0.1 . 1 . . . . . 48 P C . 50404 1 234 . 1 . 1 48 48 PRO CA C 13 62.396 0.015 . 1 . . . . . 48 P CA . 50404 1 235 . 1 . 1 48 48 PRO CB C 13 32.967 0.015 . 1 . . . . . 48 P CB . 50404 1 236 . 1 . 1 48 48 PRO CG C 13 27.99 0.015 . 1 . . . . . 48 P CG . 50404 1 237 . 1 . 1 48 48 PRO CD C 13 50.858 0.015 . 1 . . . . . 48 P CD . 50404 1 238 . 1 . 1 49 49 LEU H H 1 8.644 0 . 1 . . . . . 49 L HN . 50404 1 239 . 1 . 1 49 49 LEU HA H 1 4.911 0.05 . 1 . . . . . 49 L HA . 50404 1 240 . 1 . 1 49 49 LEU HB2 H 1 1.975 0.05 . 1 . . . . . 49 L QB . 50404 1 241 . 1 . 1 49 49 LEU HB3 H 1 1.975 0.05 . 1 . . . . . 49 L QB . 50404 1 242 . 1 . 1 49 49 LEU HG H 1 1.295 0.05 . 1 . . . . . 49 L HG . 50404 1 243 . 1 . 1 49 49 LEU HD11 H 1 0.576 0.05 . 1 . . . . . 49 L QQD . 50404 1 244 . 1 . 1 49 49 LEU HD12 H 1 0.576 0.05 . 1 . . . . . 49 L QQD . 50404 1 245 . 1 . 1 49 49 LEU HD13 H 1 0.576 0.05 . 1 . . . . . 49 L QQD . 50404 1 246 . 1 . 1 49 49 LEU HD21 H 1 0.576 0.05 . 1 . . . . . 49 L QQD . 50404 1 247 . 1 . 1 49 49 LEU HD22 H 1 0.576 0.05 . 1 . . . . . 49 L QQD . 50404 1 248 . 1 . 1 49 49 LEU HD23 H 1 0.576 0.05 . 1 . . . . . 49 L QQD . 50404 1 249 . 1 . 1 49 49 LEU C C 13 177.798 0.1 . 1 . . . . . 49 L C . 50404 1 250 . 1 . 1 49 49 LEU CA C 13 53.189 0.015 . 1 . . . . . 49 L CA . 50404 1 251 . 1 . 1 49 49 LEU CB C 13 44.448 0.015 . 1 . . . . . 49 L CB . 50404 1 252 . 1 . 1 49 49 LEU CG C 13 26.367 0.015 . 1 . . . . . 49 L CG . 50404 1 253 . 1 . 1 49 49 LEU CD1 C 13 22.535 0.015 . 1 . . . . . 49 L CD1 . 50404 1 254 . 1 . 1 49 49 LEU CD2 C 13 22.659 0.015 . 1 . . . . . 49 L CD2 . 50404 1 255 . 1 . 1 49 49 LEU N N 15 120.415 0.05 . 1 . . . . . 49 L N . 50404 1 256 . 1 . 1 50 50 LYS H H 1 8.509 0 . 1 . . . . . 50 K HN . 50404 1 257 . 1 . 1 50 50 LYS HA H 1 3.765 0.05 . 1 . . . . . 50 K HA . 50404 1 258 . 1 . 1 50 50 LYS HB2 H 1 1.6 0.05 . 1 . . . . . 50 K QB . 50404 1 259 . 1 . 1 50 50 LYS HB3 H 1 1.6 0.05 . 1 . . . . . 50 K QB . 50404 1 260 . 1 . 1 50 50 LYS HG2 H 1 1.219 0.05 . 1 . . . . . 50 K QG . 50404 1 261 . 1 . 1 50 50 LYS HG3 H 1 1.219 0.05 . 1 . . . . . 50 K QG . 50404 1 262 . 1 . 1 50 50 LYS HD2 H 1 1.392 0.05 . 1 . . . . . 50 K QD . 50404 1 263 . 1 . 1 50 50 LYS HD3 H 1 1.392 0.05 . 1 . . . . . 50 K QD . 50404 1 264 . 1 . 1 50 50 LYS HE2 H 1 2.766 0 . 1 . . . . . 50 K QE . 50404 1 265 . 1 . 1 50 50 LYS HE3 H 1 2.766 0 . 1 . . . . . 50 K QE . 50404 1 266 . 1 . 1 50 50 LYS C C 13 176.136 0.1 . 1 . . . . . 50 K C . 50404 1 267 . 1 . 1 50 50 LYS CA C 13 56.401 0.015 . 1 . . . . . 50 K CA . 50404 1 268 . 1 . 1 50 50 LYS CB C 13 34.608 0.015 . 1 . . . . . 50 K CB . 50404 1 269 . 1 . 1 50 50 LYS CG C 13 24.137 0.015 . 1 . . . . . 50 K CG . 50404 1 270 . 1 . 1 50 50 LYS CD C 13 30.329 0.015 . 1 . . . . . 50 K CD . 50404 1 271 . 1 . 1 50 50 LYS CE C 13 41.847 0 . 1 . . . . . 50 K CE . 50404 1 272 . 1 . 1 50 50 LYS N N 15 120.775 0.05 . 1 . . . . . 50 K N . 50404 1 273 . 1 . 1 51 51 ILE H H 1 9.318 0 . 1 . . . . . 51 I HN . 50404 1 274 . 1 . 1 51 51 ILE HA H 1 4.117 0.05 . 1 . . . . . 51 I HA . 50404 1 275 . 1 . 1 51 51 ILE HB H 1 1.936 0.05 . 1 . . . . . 51 I HB . 50404 1 276 . 1 . 1 51 51 ILE CA C 13 62.005 0.015 . 1 . . . . . 51 I CA . 50404 1 277 . 1 . 1 51 51 ILE CB C 13 34.598 0.015 . 1 . . . . . 51 I CB . 50404 1 278 . 1 . 1 51 51 ILE N N 15 129.495 0.05 . 1 . . . . . 51 I N . 50404 1 279 . 1 . 1 52 52 GLY HA2 H 1 4.134 0 . 1 . . . . . 52 G QA . 50404 1 280 . 1 . 1 52 52 GLY HA3 H 1 4.134 0 . 1 . . . . . 52 G QA . 50404 1 281 . 1 . 1 52 52 GLY C C 13 176.504 0.1 . 1 . . . . . 52 G C . 50404 1 282 . 1 . 1 52 52 GLY CA C 13 45.711 0.015 . 1 . . . . . 52 G CA . 50404 1 283 . 1 . 1 53 53 ILE H H 1 7.352 0 . 1 . . . . . 53 I HN . 50404 1 284 . 1 . 1 53 53 ILE HA H 1 4.037 0.05 . 1 . . . . . 53 I HA . 50404 1 285 . 1 . 1 53 53 ILE HB H 1 2.433 0.05 . 1 . . . . . 53 I HB . 50404 1 286 . 1 . 1 53 53 ILE HG12 H 1 1.648 0.05 . 1 . . . . . 53 I HG12 . 50404 1 287 . 1 . 1 53 53 ILE HG13 H 1 1.375 0.05 . 1 . . . . . 53 I HG13 . 50404 1 288 . 1 . 1 53 53 ILE HD11 H 1 0.978 0.05 . 1 . . . . . 53 I QD1 . 50404 1 289 . 1 . 1 53 53 ILE HD12 H 1 0.978 0.05 . 1 . . . . . 53 I QD1 . 50404 1 290 . 1 . 1 53 53 ILE HD13 H 1 0.978 0.05 . 1 . . . . . 53 I QD1 . 50404 1 291 . 1 . 1 53 53 ILE C C 13 175.76 0.1 . 1 . . . . . 53 I C . 50404 1 292 . 1 . 1 53 53 ILE CA C 13 62.859 0.015 . 1 . . . . . 53 I CA . 50404 1 293 . 1 . 1 53 53 ILE CB C 13 38.187 0.015 . 1 . . . . . 53 I CB . 50404 1 294 . 1 . 1 53 53 ILE CG1 C 13 29.845 0.015 . 1 . . . . . 53 I CG1 . 50404 1 295 . 1 . 1 53 53 ILE CG2 C 13 16.765 0.015 . 1 . . . . . 53 I CG2 . 50404 1 296 . 1 . 1 53 53 ILE CD1 C 13 14.896 0.015 . 1 . . . . . 53 I CD1 . 50404 1 297 . 1 . 1 53 53 ILE N N 15 121.523 0.05 . 1 . . . . . 53 I N . 50404 1 298 . 1 . 1 54 54 MET H H 1 8.871 0 . 1 . . . . . 54 M HN . 50404 1 299 . 1 . 1 54 54 MET C C 13 178.115 0.1 . 1 . . . . . 54 M C . 50404 1 300 . 1 . 1 54 54 MET CA C 13 57.719 0.015 . 1 . . . . . 54 M CA . 50404 1 301 . 1 . 1 54 54 MET CB C 13 32.506 0.015 . 1 . . . . . 54 M CB . 50404 1 302 . 1 . 1 54 54 MET N N 15 122.271 0.05 . 1 . . . . . 54 M N . 50404 1 303 . 1 . 1 55 55 SER H H 1 7.799 0 . 1 . . . . . 55 S HN . 50404 1 304 . 1 . 1 55 55 SER HA H 1 3.973 0.05 . 1 . . . . . 55 S HA . 50404 1 305 . 1 . 1 55 55 SER HB2 H 1 3.729 0.05 . 1 . . . . . 55 S QB . 50404 1 306 . 1 . 1 55 55 SER HB3 H 1 3.729 0.05 . 1 . . . . . 55 S QB . 50404 1 307 . 1 . 1 55 55 SER C C 13 176.726 0.1 . 1 . . . . . 55 S C . 50404 1 308 . 1 . 1 55 55 SER CA C 13 61.219 0.015 . 1 . . . . . 55 S CA . 50404 1 309 . 1 . 1 55 55 SER CB C 13 62.268 0.015 . 1 . . . . . 55 S CB . 50404 1 310 . 1 . 1 55 55 SER N N 15 112.864 0.05 . 1 . . . . . 55 S N . 50404 1 311 . 1 . 1 56 56 ASP H H 1 7.234 0 . 1 . . . . . 56 D HN . 50404 1 312 . 1 . 1 56 56 ASP HA H 1 4.406 0.05 . 1 . . . . . 56 D HA . 50404 1 313 . 1 . 1 56 56 ASP HB2 H 1 2.903 0.05 . 1 . . . . . 56 D HB2 . 50404 1 314 . 1 . 1 56 56 ASP HB3 H 1 2.702 0.05 . 1 . . . . . 56 D HB3 . 50404 1 315 . 1 . 1 56 56 ASP C C 13 178.992 0.1 . 1 . . . . . 56 D C . 50404 1 316 . 1 . 1 56 56 ASP CA C 13 56.951 0.015 . 1 . . . . . 56 D CA . 50404 1 317 . 1 . 1 56 56 ASP CB C 13 39.998 0.015 . 1 . . . . . 56 D CB . 50404 1 318 . 1 . 1 56 56 ASP N N 15 121.349 0.05 . 1 . . . . . 56 D N . 50404 1 319 . 1 . 1 57 57 ILE H H 1 8.054 0 . 1 . . . . . 57 I HN . 50404 1 320 . 1 . 1 57 57 ILE HA H 1 3.483 0.05 . 1 . . . . . 57 I HA . 50404 1 321 . 1 . 1 57 57 ILE HB H 1 2.086 0.05 . 1 . . . . . 57 I HB . 50404 1 322 . 1 . 1 57 57 ILE HG12 H 1 1.801 0 . 1 . . . . . 57 I QG1 . 50404 1 323 . 1 . 1 57 57 ILE HG13 H 1 1.801 0 . 1 . . . . . 57 I QG1 . 50404 1 324 . 1 . 1 57 57 ILE HG21 H 1 0.895 0 . 1 . . . . . 57 I QG2 . 50404 1 325 . 1 . 1 57 57 ILE HG22 H 1 0.895 0 . 1 . . . . . 57 I QG2 . 50404 1 326 . 1 . 1 57 57 ILE HG23 H 1 0.895 0 . 1 . . . . . 57 I QG2 . 50404 1 327 . 1 . 1 57 57 ILE HD11 H 1 0.776 0.05 . 1 . . . . . 57 I QD1 . 50404 1 328 . 1 . 1 57 57 ILE HD12 H 1 0.776 0.05 . 1 . . . . . 57 I QD1 . 50404 1 329 . 1 . 1 57 57 ILE HD13 H 1 0.776 0.05 . 1 . . . . . 57 I QD1 . 50404 1 330 . 1 . 1 57 57 ILE C C 13 178.242 0.1 . 1 . . . . . 57 I C . 50404 1 331 . 1 . 1 57 57 ILE CA C 13 65.298 0.015 . 1 . . . . . 57 I CA . 50404 1 332 . 1 . 1 57 57 ILE CB C 13 38.281 0.015 . 1 . . . . . 57 I CB . 50404 1 333 . 1 . 1 57 57 ILE CG1 C 13 30.875 0.015 . 1 . . . . . 57 I CG1 . 50404 1 334 . 1 . 1 57 57 ILE CG2 C 13 18.456 0.015 . 1 . . . . . 57 I CG2 . 50404 1 335 . 1 . 1 57 57 ILE CD1 C 13 15.449 0.015 . 1 . . . . . 57 I CD1 . 50404 1 336 . 1 . 1 57 57 ILE N N 15 120.734 0.05 . 1 . . . . . 57 I N . 50404 1 337 . 1 . 1 58 58 LEU H H 1 8.291 0 . 1 . . . . . 58 L HN . 50404 1 338 . 1 . 1 58 58 LEU HA H 1 3.987 0.05 . 1 . . . . . 58 L HA . 50404 1 339 . 1 . 1 58 58 LEU HB2 H 1 1.953 0.05 . 1 . . . . . 58 L HB2 . 50404 1 340 . 1 . 1 58 58 LEU HB3 H 1 1.607 0.05 . 1 . . . . . 58 L HB3 . 50404 1 341 . 1 . 1 58 58 LEU HG H 1 1.62 0.05 . 1 . . . . . 58 L HG . 50404 1 342 . 1 . 1 58 58 LEU HD11 H 1 0.869 0.05 . 1 . . . . . 58 L QQD . 50404 1 343 . 1 . 1 58 58 LEU HD12 H 1 0.869 0.05 . 1 . . . . . 58 L QQD . 50404 1 344 . 1 . 1 58 58 LEU HD13 H 1 0.869 0.05 . 1 . . . . . 58 L QQD . 50404 1 345 . 1 . 1 58 58 LEU HD21 H 1 0.869 0.05 . 1 . . . . . 58 L QQD . 50404 1 346 . 1 . 1 58 58 LEU HD22 H 1 0.869 0.05 . 1 . . . . . 58 L QQD . 50404 1 347 . 1 . 1 58 58 LEU HD23 H 1 0.869 0.05 . 1 . . . . . 58 L QQD . 50404 1 348 . 1 . 1 58 58 LEU C C 13 179.34 0.1 . 1 . . . . . 58 L C . 50404 1 349 . 1 . 1 58 58 LEU CA C 13 57.566 0.015 . 1 . . . . . 58 L CA . 50404 1 350 . 1 . 1 58 58 LEU CB C 13 40.677 0.015 . 1 . . . . . 58 L CB . 50404 1 351 . 1 . 1 58 58 LEU CG C 13 25.525 0.015 . 1 . . . . . 58 L CG . 50404 1 352 . 1 . 1 58 58 LEU CD1 C 13 22.343 0.015 . 1 . . . . . 58 L CD1 . 50404 1 353 . 1 . 1 58 58 LEU CD2 C 13 22.389 0.015 . 1 . . . . . 58 L CD2 . 50404 1 354 . 1 . 1 58 58 LEU N N 15 117.534 0.05 . 1 . . . . . 58 L N . 50404 1 355 . 1 . 1 59 59 GLN H H 1 7.388 0 . 1 . . . . . 59 Q HN . 50404 1 356 . 1 . 1 59 59 GLN HA H 1 4.156 0.05 . 1 . . . . . 59 Q HA . 50404 1 357 . 1 . 1 59 59 GLN HB2 H 1 2.155 0.05 . 1 . . . . . 59 Q QB . 50404 1 358 . 1 . 1 59 59 GLN HB3 H 1 2.155 0.05 . 1 . . . . . 59 Q QB . 50404 1 359 . 1 . 1 59 59 GLN HG2 H 1 2.352 0.05 . 1 . . . . . 59 Q QG . 50404 1 360 . 1 . 1 59 59 GLN HG3 H 1 2.352 0.05 . 1 . . . . . 59 Q QG . 50404 1 361 . 1 . 1 59 59 GLN HE21 H 1 7.458 0.05 . 1 . . . . . 59 Q HE21 . 50404 1 362 . 1 . 1 59 59 GLN HE22 H 1 6.886 0.05 . 1 . . . . . 59 Q HE22 . 50404 1 363 . 1 . 1 59 59 GLN C C 13 177.028 0.1 . 1 . . . . . 59 Q C . 50404 1 364 . 1 . 1 59 59 GLN CA C 13 58.051 0.015 . 1 . . . . . 59 Q CA . 50404 1 365 . 1 . 1 59 59 GLN CB C 13 28.226 0.015 . 1 . . . . . 59 Q CB . 50404 1 366 . 1 . 1 59 59 GLN CG C 13 33.708 0.015 . 1 . . . . . 59 Q CG . 50404 1 367 . 1 . 1 59 59 GLN N N 15 118.585 0.05 . 1 . . . . . 59 Q N . 50404 1 368 . 1 . 1 59 59 GLN NE2 N 15 112.245 0 . 1 . . . . . 59 Q NE2 . 50404 1 369 . 1 . 1 60 60 HIS H H 1 8.164 0 . 1 . . . . . 60 H HN . 50404 1 370 . 1 . 1 60 60 HIS HA H 1 4.972 0.05 . 1 . . . . . 60 H HA . 50404 1 371 . 1 . 1 60 60 HIS HB2 H 1 3.89 0.05 . 1 . . . . . 60 H HB2 . 50404 1 372 . 1 . 1 60 60 HIS HB3 H 1 3.36 0.05 . 1 . . . . . 60 H HB3 . 50404 1 373 . 1 . 1 60 60 HIS HD2 H 1 6.822 0 . 1 . . . . . 60 H HD2 . 50404 1 374 . 1 . 1 60 60 HIS C C 13 176.209 0.1 . 1 . . . . . 60 H C . 50404 1 375 . 1 . 1 60 60 HIS CA C 13 55.983 0.015 . 1 . . . . . 60 H CA . 50404 1 376 . 1 . 1 60 60 HIS CB C 13 31.873 0.015 . 1 . . . . . 60 H CB . 50404 1 377 . 1 . 1 60 60 HIS N N 15 117.687 0.05 . 1 . . . . . 60 H N . 50404 1 378 . 1 . 1 61 61 ALA H H 1 7.572 0 . 1 . . . . . 61 A HN . 50404 1 379 . 1 . 1 61 61 ALA HA H 1 3.744 0.05 . 1 . . . . . 61 A HA . 50404 1 380 . 1 . 1 61 61 ALA HB1 H 1 1.504 0.05 . 1 . . . . . 61 A HB . 50404 1 381 . 1 . 1 61 61 ALA HB2 H 1 1.504 0.05 . 1 . . . . . 61 A HB . 50404 1 382 . 1 . 1 61 61 ALA HB3 H 1 1.504 0.05 . 1 . . . . . 61 A HB . 50404 1 383 . 1 . 1 61 61 ALA C C 13 178.76 0.1 . 1 . . . . . 61 A C . 50404 1 384 . 1 . 1 61 61 ALA CA C 13 55.576 0.015 . 1 . . . . . 61 A CA . 50404 1 385 . 1 . 1 61 61 ALA CB C 13 19.258 0.015 . 1 . . . . . 61 A CB . 50404 1 386 . 1 . 1 61 61 ALA N N 15 121.203 0.05 . 1 . . . . . 61 A N . 50404 1 387 . 1 . 1 62 62 GLU H H 1 9.036 0 . 1 . . . . . 62 E HN . 50404 1 388 . 1 . 1 62 62 GLU HA H 1 4.135 0.05 . 1 . . . . . 62 E HA . 50404 1 389 . 1 . 1 62 62 GLU HB2 H 1 2.076 0.05 . 1 . . . . . 62 E QB . 50404 1 390 . 1 . 1 62 62 GLU HB3 H 1 2.076 0.05 . 1 . . . . . 62 E QB . 50404 1 391 . 1 . 1 62 62 GLU HG2 H 1 2.337 0.05 . 1 . . . . . 62 E QG . 50404 1 392 . 1 . 1 62 62 GLU HG3 H 1 2.337 0.05 . 1 . . . . . 62 E QG . 50404 1 393 . 1 . 1 62 62 GLU C C 13 178.899 0.1 . 1 . . . . . 62 E C . 50404 1 394 . 1 . 1 62 62 GLU CA C 13 59.784 0.015 . 1 . . . . . 62 E CA . 50404 1 395 . 1 . 1 62 62 GLU CB C 13 28.951 0.015 . 1 . . . . . 62 E CB . 50404 1 396 . 1 . 1 62 62 GLU CG C 13 36.727 0.015 . 1 . . . . . 62 E CG . 50404 1 397 . 1 . 1 62 62 GLU N N 15 118.503 0.05 . 1 . . . . . 62 E N . 50404 1 398 . 1 . 1 63 63 LYS H H 1 7.585 0 . 1 . . . . . 63 K HN . 50404 1 399 . 1 . 1 63 63 LYS HA H 1 4.183 0.05 . 1 . . . . . 63 K HA . 50404 1 400 . 1 . 1 63 63 LYS HB2 H 1 2.317 0.05 . 1 . . . . . 63 K QB . 50404 1 401 . 1 . 1 63 63 LYS HB3 H 1 2.317 0.05 . 1 . . . . . 63 K QB . 50404 1 402 . 1 . 1 63 63 LYS HG2 H 1 1.791 0.05 . 1 . . . . . 63 K QG . 50404 1 403 . 1 . 1 63 63 LYS HG3 H 1 1.791 0.05 . 1 . . . . . 63 K QG . 50404 1 404 . 1 . 1 63 63 LYS HD2 H 1 1.962 0.05 . 1 . . . . . 63 K QD . 50404 1 405 . 1 . 1 63 63 LYS HD3 H 1 1.962 0.05 . 1 . . . . . 63 K QD . 50404 1 406 . 1 . 1 63 63 LYS HE2 H 1 3.228 0 . 1 . . . . . 63 K QE . 50404 1 407 . 1 . 1 63 63 LYS HE3 H 1 3.228 0 . 1 . . . . . 63 K QE . 50404 1 408 . 1 . 1 63 63 LYS C C 13 179.024 0.1 . 1 . . . . . 63 K C . 50404 1 409 . 1 . 1 63 63 LYS CA C 13 58.897 0.015 . 1 . . . . . 63 K CA . 50404 1 410 . 1 . 1 63 63 LYS CB C 13 32.606 0.015 . 1 . . . . . 63 K CB . 50404 1 411 . 1 . 1 63 63 LYS CG C 13 25.683 0.015 . 1 . . . . . 63 K CG . 50404 1 412 . 1 . 1 63 63 LYS CD C 13 29.377 0.015 . 1 . . . . . 63 K CD . 50404 1 413 . 1 . 1 63 63 LYS CE C 13 42.135 0 . 1 . . . . . 63 K CE . 50404 1 414 . 1 . 1 63 63 LYS N N 15 118.49 0.05 . 1 . . . . . 63 K N . 50404 1 415 . 1 . 1 64 64 ALA H H 1 6.889 0 . 1 . . . . . 64 A HN . 50404 1 416 . 1 . 1 64 64 ALA HA H 1 3.106 0.05 . 1 . . . . . 64 A HA . 50404 1 417 . 1 . 1 64 64 ALA HB1 H 1 0.126 0.05 . 1 . . . . . 64 A HB . 50404 1 418 . 1 . 1 64 64 ALA HB2 H 1 0.126 0.05 . 1 . . . . . 64 A HB . 50404 1 419 . 1 . 1 64 64 ALA HB3 H 1 0.126 0.05 . 1 . . . . . 64 A HB . 50404 1 420 . 1 . 1 64 64 ALA C C 13 179.588 0.1 . 1 . . . . . 64 A C . 50404 1 421 . 1 . 1 64 64 ALA CA C 13 54.068 0.015 . 1 . . . . . 64 A CA . 50404 1 422 . 1 . 1 64 64 ALA CB C 13 15.983 0.015 . 1 . . . . . 64 A CB . 50404 1 423 . 1 . 1 64 64 ALA N N 15 123.256 0.05 . 1 . . . . . 64 A N . 50404 1 424 . 1 . 1 65 65 GLU H H 1 8.264 0 . 1 . . . . . 65 E HN . 50404 1 425 . 1 . 1 65 65 GLU HA H 1 3.7 0.05 . 1 . . . . . 65 E HA . 50404 1 426 . 1 . 1 65 65 GLU HB2 H 1 2.021 0.05 . 1 . . . . . 65 E QB . 50404 1 427 . 1 . 1 65 65 GLU HB3 H 1 2.021 0.05 . 1 . . . . . 65 E QB . 50404 1 428 . 1 . 1 65 65 GLU HG2 H 1 2.288 0.05 . 1 . . . . . 65 E QG . 50404 1 429 . 1 . 1 65 65 GLU HG3 H 1 2.288 0.05 . 1 . . . . . 65 E QG . 50404 1 430 . 1 . 1 65 65 GLU C C 13 180.709 0.1 . 1 . . . . . 65 E C . 50404 1 431 . 1 . 1 65 65 GLU CA C 13 59.059 0.015 . 1 . . . . . 65 E CA . 50404 1 432 . 1 . 1 65 65 GLU CB C 13 29.333 0.015 . 1 . . . . . 65 E CB . 50404 1 433 . 1 . 1 65 65 GLU CG C 13 36.616 0.015 . 1 . . . . . 65 E CG . 50404 1 434 . 1 . 1 65 65 GLU N N 15 119.404 0.05 . 1 . . . . . 65 E N . 50404 1 435 . 1 . 1 66 66 GLN H H 1 7.554 0 . 1 . . . . . 66 Q HN . 50404 1 436 . 1 . 1 66 66 GLN HA H 1 4.118 0.05 . 1 . . . . . 66 Q HA . 50404 1 437 . 1 . 1 66 66 GLN HB2 H 1 2.261 0.05 . 1 . . . . . 66 Q QB . 50404 1 438 . 1 . 1 66 66 GLN HB3 H 1 2.261 0.05 . 1 . . . . . 66 Q QB . 50404 1 439 . 1 . 1 66 66 GLN HG2 H 1 2.657 0.05 . 1 . . . . . 66 Q QG . 50404 1 440 . 1 . 1 66 66 GLN HG3 H 1 2.657 0.05 . 1 . . . . . 66 Q QG . 50404 1 441 . 1 . 1 66 66 GLN HE21 H 1 7.544 0.05 . 1 . . . . . 66 Q HE21 . 50404 1 442 . 1 . 1 66 66 GLN HE22 H 1 6.869 0.05 . 1 . . . . . 66 Q HE22 . 50404 1 443 . 1 . 1 66 66 GLN C C 13 177.627 0.1 . 1 . . . . . 66 Q C . 50404 1 444 . 1 . 1 66 66 GLN CA C 13 58.235 0.015 . 1 . . . . . 66 Q CA . 50404 1 445 . 1 . 1 66 66 GLN CB C 13 28.854 0.015 . 1 . . . . . 66 Q CB . 50404 1 446 . 1 . 1 66 66 GLN CG C 13 34.129 0.015 . 1 . . . . . 66 Q CG . 50404 1 447 . 1 . 1 66 66 GLN N N 15 117.641 0.05 . 1 . . . . . 66 Q N . 50404 1 448 . 1 . 1 66 66 GLN NE2 N 15 111.701 0 . 1 . . . . . 66 Q NE2 . 50404 1 449 . 1 . 1 67 67 VAL H H 1 7.25 0 . 1 . . . . . 67 V HN . 50404 1 450 . 1 . 1 67 67 VAL HA H 1 4.646 0.05 . 1 . . . . . 67 V HA . 50404 1 451 . 1 . 1 67 67 VAL HB H 1 2.582 0.05 . 1 . . . . . 67 V HB . 50404 1 452 . 1 . 1 67 67 VAL HG11 H 1 1.001 0 . 1 . . . . . 67 V QQG . 50404 1 453 . 1 . 1 67 67 VAL HG12 H 1 1.001 0 . 1 . . . . . 67 V QQG . 50404 1 454 . 1 . 1 67 67 VAL HG13 H 1 1.001 0 . 1 . . . . . 67 V QQG . 50404 1 455 . 1 . 1 67 67 VAL HG21 H 1 1.001 0 . 1 . . . . . 67 V QQG . 50404 1 456 . 1 . 1 67 67 VAL HG22 H 1 1.001 0 . 1 . . . . . 67 V QQG . 50404 1 457 . 1 . 1 67 67 VAL HG23 H 1 1.001 0 . 1 . . . . . 67 V QQG . 50404 1 458 . 1 . 1 67 67 VAL C C 13 176.12 0.1 . 1 . . . . . 67 V C . 50404 1 459 . 1 . 1 67 67 VAL CA C 13 60.051 0.015 . 1 . . . . . 67 V CA . 50404 1 460 . 1 . 1 67 67 VAL CB C 13 30.86 0.015 . 1 . . . . . 67 V CB . 50404 1 461 . 1 . 1 67 67 VAL CG1 C 13 21.675 0.015 . 1 . . . . . 67 V CG1 . 50404 1 462 . 1 . 1 67 67 VAL CG2 C 13 19.634 0.015 . 1 . . . . . 67 V CG2 . 50404 1 463 . 1 . 1 67 67 VAL N N 15 109.463 0.05 . 1 . . . . . 67 V N . 50404 1 464 . 1 . 1 68 68 GLY H H 1 7.582 0 . 1 . . . . . 68 G HN . 50404 1 465 . 1 . 1 68 68 GLY HA2 H 1 4.154 0 . 1 . . . . . 68 G HA1 . 50404 1 466 . 1 . 1 68 68 GLY HA3 H 1 3.69 0 . 1 . . . . . 68 G HA2 . 50404 1 467 . 1 . 1 68 68 GLY C C 13 174.199 0.1 . 1 . . . . . 68 G C . 50404 1 468 . 1 . 1 68 68 GLY CA C 13 45.823 0.015 . 1 . . . . . 68 G CA . 50404 1 469 . 1 . 1 68 68 GLY N N 15 107.751 0.05 . 1 . . . . . 68 G N . 50404 1 470 . 1 . 1 69 69 VAL H H 1 7.757 0 . 1 . . . . . 69 V HN . 50404 1 471 . 1 . 1 69 69 VAL HA H 1 3.819 0.05 . 1 . . . . . 69 V HA . 50404 1 472 . 1 . 1 69 69 VAL HB H 1 1.354 0.05 . 1 . . . . . 69 V HB . 50404 1 473 . 1 . 1 69 69 VAL HG11 H 1 0.533 0 . 1 . . . . . 69 V QQG . 50404 1 474 . 1 . 1 69 69 VAL HG12 H 1 0.533 0 . 1 . . . . . 69 V QQG . 50404 1 475 . 1 . 1 69 69 VAL HG13 H 1 0.533 0 . 1 . . . . . 69 V QQG . 50404 1 476 . 1 . 1 69 69 VAL HG21 H 1 0.533 0 . 1 . . . . . 69 V QQG . 50404 1 477 . 1 . 1 69 69 VAL HG22 H 1 0.533 0 . 1 . . . . . 69 V QQG . 50404 1 478 . 1 . 1 69 69 VAL HG23 H 1 0.533 0 . 1 . . . . . 69 V QQG . 50404 1 479 . 1 . 1 69 69 VAL C C 13 173.13 0.1 . 1 . . . . . 69 V C . 50404 1 480 . 1 . 1 69 69 VAL CA C 13 61.76 0.015 . 1 . . . . . 69 V CA . 50404 1 481 . 1 . 1 69 69 VAL CB C 13 31.467 0.015 . 1 . . . . . 69 V CB . 50404 1 482 . 1 . 1 69 69 VAL CG1 C 13 20.604 0.015 . 1 . . . . . 69 V CG1 . 50404 1 483 . 1 . 1 69 69 VAL CG2 C 13 21.143 0.015 . 1 . . . . . 69 V CG2 . 50404 1 484 . 1 . 1 69 69 VAL N N 15 123.811 0.05 . 1 . . . . . 69 V N . 50404 1 485 . 1 . 1 70 70 SER H H 1 7.551 0 . 1 . . . . . 70 S HN . 50404 1 486 . 1 . 1 70 70 SER HA H 1 4.339 0.05 . 1 . . . . . 70 S HA . 50404 1 487 . 1 . 1 70 70 SER HB2 H 1 3.936 0.05 . 1 . . . . . 70 S QB . 50404 1 488 . 1 . 1 70 70 SER HB3 H 1 3.936 0.05 . 1 . . . . . 70 S QB . 50404 1 489 . 1 . 1 70 70 SER C C 13 175.118 0.1 . 1 . . . . . 70 S C . 50404 1 490 . 1 . 1 70 70 SER CA C 13 56.831 0.015 . 1 . . . . . 70 S CA . 50404 1 491 . 1 . 1 70 70 SER CB C 13 65.752 0.015 . 1 . . . . . 70 S CB . 50404 1 492 . 1 . 1 70 70 SER N N 15 120.294 0.05 . 1 . . . . . 70 S N . 50404 1 493 . 1 . 1 71 71 LYS H H 1 8.912 0 . 1 . . . . . 71 K HN . 50404 1 494 . 1 . 1 71 71 LYS HA H 1 3.776 0.05 . 1 . . . . . 71 K HA . 50404 1 495 . 1 . 1 71 71 LYS HB2 H 1 1.748 0.05 . 1 . . . . . 71 K HB2 . 50404 1 496 . 1 . 1 71 71 LYS HB3 H 1 1.75 0.05 . 1 . . . . . 71 K HB3 . 50404 1 497 . 1 . 1 71 71 LYS C C 13 179.061 0.1 . 1 . . . . . 71 K C . 50404 1 498 . 1 . 1 71 71 LYS CA C 13 60.715 0.015 . 1 . . . . . 71 K CA . 50404 1 499 . 1 . 1 71 71 LYS CB C 13 32.433 0.015 . 1 . . . . . 71 K CB . 50404 1 500 . 1 . 1 71 71 LYS N N 15 120.841 0.05 . 1 . . . . . 71 K N . 50404 1 501 . 1 . 1 72 72 SER H H 1 8.308 0 . 1 . . . . . 72 S HN . 50404 1 502 . 1 . 1 72 72 SER HA H 1 4.766 0.05 . 1 . . . . . 72 S HA . 50404 1 503 . 1 . 1 72 72 SER N N 15 113.028 0.05 . 1 . . . . . 72 S N . 50404 1 504 . 1 . 1 73 73 LYS HA H 1 4.103 0.05 . 1 . . . . . 73 K HA . 50404 1 505 . 1 . 1 73 73 LYS HB2 H 1 2.031 0.05 . 1 . . . . . 73 K QB . 50404 1 506 . 1 . 1 73 73 LYS HB3 H 1 2.031 0.05 . 1 . . . . . 73 K QB . 50404 1 507 . 1 . 1 73 73 LYS HG2 H 1 1.411 0.05 . 1 . . . . . 73 K QG . 50404 1 508 . 1 . 1 73 73 LYS HG3 H 1 1.411 0.05 . 1 . . . . . 73 K QG . 50404 1 509 . 1 . 1 73 73 LYS HD2 H 1 1.724 0.05 . 1 . . . . . 73 K QD . 50404 1 510 . 1 . 1 73 73 LYS HD3 H 1 1.724 0.05 . 1 . . . . . 73 K QD . 50404 1 511 . 1 . 1 73 73 LYS HE2 H 1 3.017 0 . 1 . . . . . 73 K QE . 50404 1 512 . 1 . 1 73 73 LYS HE3 H 1 3.017 0 . 1 . . . . . 73 K QE . 50404 1 513 . 1 . 1 73 73 LYS C C 13 179.99 0.1 . 1 . . . . . 73 K C . 50404 1 514 . 1 . 1 73 73 LYS CA C 13 58.291 0.015 . 1 . . . . . 73 K CA . 50404 1 515 . 1 . 1 73 73 LYS CB C 13 31.708 0.015 . 1 . . . . . 73 K CB . 50404 1 516 . 1 . 1 73 73 LYS CG C 13 25.412 0.015 . 1 . . . . . 73 K CG . 50404 1 517 . 1 . 1 73 73 LYS CD C 13 28.671 0.015 . 1 . . . . . 73 K CD . 50404 1 518 . 1 . 1 73 73 LYS CE C 13 42.247 0 . 1 . . . . . 73 K CE . 50404 1 519 . 1 . 1 74 74 LEU H H 1 8.2 0 . 1 . . . . . 74 L HN . 50404 1 520 . 1 . 1 74 74 LEU HA H 1 3.808 0.05 . 1 . . . . . 74 L HA . 50404 1 521 . 1 . 1 74 74 LEU HB2 H 1 1.835 0.05 . 1 . . . . . 74 L QB . 50404 1 522 . 1 . 1 74 74 LEU HB3 H 1 1.835 0.05 . 1 . . . . . 74 L QB . 50404 1 523 . 1 . 1 74 74 LEU HG H 1 1.489 0.05 . 1 . . . . . 74 L HG . 50404 1 524 . 1 . 1 74 74 LEU HD11 H 1 1.219 0.05 . 1 . . . . . 74 L QD1 . 50404 1 525 . 1 . 1 74 74 LEU HD12 H 1 1.219 0.05 . 1 . . . . . 74 L QD1 . 50404 1 526 . 1 . 1 74 74 LEU HD13 H 1 1.219 0.05 . 1 . . . . . 74 L QD1 . 50404 1 527 . 1 . 1 74 74 LEU HD21 H 1 0.591 0 . 1 . . . . . 74 L QD2 . 50404 1 528 . 1 . 1 74 74 LEU HD22 H 1 0.591 0 . 1 . . . . . 74 L QD2 . 50404 1 529 . 1 . 1 74 74 LEU HD23 H 1 0.591 0 . 1 . . . . . 74 L QD2 . 50404 1 530 . 1 . 1 74 74 LEU C C 13 177.457 0.1 . 1 . . . . . 74 L C . 50404 1 531 . 1 . 1 74 74 LEU CA C 13 58.274 0.015 . 1 . . . . . 74 L CA . 50404 1 532 . 1 . 1 74 74 LEU CB C 13 42.356 0.015 . 1 . . . . . 74 L CB . 50404 1 533 . 1 . 1 74 74 LEU CG C 13 26.225 0.015 . 1 . . . . . 74 L CG . 50404 1 534 . 1 . 1 74 74 LEU CD1 C 13 24.499 0.015 . 1 . . . . . 74 L CD1 . 50404 1 535 . 1 . 1 74 74 LEU CD2 C 13 24.249 0.015 . 1 . . . . . 74 L CD2 . 50404 1 536 . 1 . 1 74 74 LEU N N 15 121.997 0.05 . 1 . . . . . 74 L N . 50404 1 537 . 1 . 1 75 75 ARG H H 1 7.948 0 . 1 . . . . . 75 R HN . 50404 1 538 . 1 . 1 75 75 ARG HA H 1 4.129 0.05 . 1 . . . . . 75 R HA . 50404 1 539 . 1 . 1 75 75 ARG HB2 H 1 1.883 0.05 . 1 . . . . . 75 R QB . 50404 1 540 . 1 . 1 75 75 ARG HB3 H 1 1.883 0.05 . 1 . . . . . 75 R QB . 50404 1 541 . 1 . 1 75 75 ARG HG2 H 1 1.65 0.05 . 1 . . . . . 75 R QG . 50404 1 542 . 1 . 1 75 75 ARG HG3 H 1 1.65 0.05 . 1 . . . . . 75 R QG . 50404 1 543 . 1 . 1 75 75 ARG HD2 H 1 3.227 0.05 . 1 . . . . . 75 R QD . 50404 1 544 . 1 . 1 75 75 ARG HD3 H 1 3.227 0.05 . 1 . . . . . 75 R QD . 50404 1 545 . 1 . 1 75 75 ARG C C 13 178.632 0.1 . 1 . . . . . 75 R C . 50404 1 546 . 1 . 1 75 75 ARG CA C 13 59.809 0.015 . 1 . . . . . 75 R CA . 50404 1 547 . 1 . 1 75 75 ARG CB C 13 30.425 0.015 . 1 . . . . . 75 R CB . 50404 1 548 . 1 . 1 75 75 ARG CG C 13 27.885 0.015 . 1 . . . . . 75 R CG . 50404 1 549 . 1 . 1 75 75 ARG CD C 13 43.491 0.015 . 1 . . . . . 75 R CD . 50404 1 550 . 1 . 1 75 75 ARG N N 15 117.64 0.05 . 1 . . . . . 75 R N . 50404 1 551 . 1 . 1 76 76 GLU H H 1 7.904 0 . 1 . . . . . 76 E HN . 50404 1 552 . 1 . 1 76 76 GLU HA H 1 3.929 0.05 . 1 . . . . . 76 E HA . 50404 1 553 . 1 . 1 76 76 GLU HB2 H 1 2.123 0.05 . 1 . . . . . 76 E QB . 50404 1 554 . 1 . 1 76 76 GLU HB3 H 1 2.123 0.05 . 1 . . . . . 76 E QB . 50404 1 555 . 1 . 1 76 76 GLU HG2 H 1 2.384 0.05 . 1 . . . . . 76 E QG . 50404 1 556 . 1 . 1 76 76 GLU HG3 H 1 2.384 0.05 . 1 . . . . . 76 E QG . 50404 1 557 . 1 . 1 76 76 GLU C C 13 178.249 0.1 . 1 . . . . . 76 E C . 50404 1 558 . 1 . 1 76 76 GLU CA C 13 59.156 0.015 . 1 . . . . . 76 E CA . 50404 1 559 . 1 . 1 76 76 GLU CB C 13 30.332 0.015 . 1 . . . . . 76 E CB . 50404 1 560 . 1 . 1 76 76 GLU CG C 13 36.527 0.015 . 1 . . . . . 76 E CG . 50404 1 561 . 1 . 1 76 76 GLU N N 15 117.248 0.05 . 1 . . . . . 76 E N . 50404 1 562 . 1 . 1 77 77 ALA H H 1 7.942 0 . 1 . . . . . 77 A HN . 50404 1 563 . 1 . 1 77 77 ALA HA H 1 4.16 0.05 . 1 . . . . . 77 A HA . 50404 1 564 . 1 . 1 77 77 ALA HB1 H 1 1.424 0.05 . 1 . . . . . 77 A HB . 50404 1 565 . 1 . 1 77 77 ALA HB2 H 1 1.424 0.05 . 1 . . . . . 77 A HB . 50404 1 566 . 1 . 1 77 77 ALA HB3 H 1 1.424 0.05 . 1 . . . . . 77 A HB . 50404 1 567 . 1 . 1 77 77 ALA C C 13 179.689 0.1 . 1 . . . . . 77 A C . 50404 1 568 . 1 . 1 77 77 ALA CA C 13 54.965 0.015 . 1 . . . . . 77 A CA . 50404 1 569 . 1 . 1 77 77 ALA CB C 13 18.793 0.015 . 1 . . . . . 77 A CB . 50404 1 570 . 1 . 1 77 77 ALA N N 15 120.317 0.05 . 1 . . . . . 77 A N . 50404 1 571 . 1 . 1 78 78 VAL H H 1 7.757 0 . 1 . . . . . 78 V HN . 50404 1 572 . 1 . 1 78 78 VAL HA H 1 3.506 0.05 . 1 . . . . . 78 V HA . 50404 1 573 . 1 . 1 78 78 VAL HB H 1 2.162 0.05 . 1 . . . . . 78 V HB . 50404 1 574 . 1 . 1 78 78 VAL HG11 H 1 0.936 0 . 1 . . . . . 78 V QQG . 50404 1 575 . 1 . 1 78 78 VAL HG12 H 1 0.936 0 . 1 . . . . . 78 V QQG . 50404 1 576 . 1 . 1 78 78 VAL HG13 H 1 0.936 0 . 1 . . . . . 78 V QQG . 50404 1 577 . 1 . 1 78 78 VAL HG21 H 1 0.936 0 . 1 . . . . . 78 V QQG . 50404 1 578 . 1 . 1 78 78 VAL HG22 H 1 0.936 0 . 1 . . . . . 78 V QQG . 50404 1 579 . 1 . 1 78 78 VAL HG23 H 1 0.936 0 . 1 . . . . . 78 V QQG . 50404 1 580 . 1 . 1 78 78 VAL C C 13 178.526 0.1 . 1 . . . . . 78 V C . 50404 1 581 . 1 . 1 78 78 VAL CA C 13 67.235 0.015 . 1 . . . . . 78 V CA . 50404 1 582 . 1 . 1 78 78 VAL CB C 13 31.713 0.015 . 1 . . . . . 78 V CB . 50404 1 583 . 1 . 1 78 78 VAL CG1 C 13 21.404 0.015 . 1 . . . . . 78 V CG1 . 50404 1 584 . 1 . 1 78 78 VAL CG2 C 13 21.43 0.015 . 1 . . . . . 78 V CG2 . 50404 1 585 . 1 . 1 78 78 VAL N N 15 118.828 0.05 . 1 . . . . . 78 V N . 50404 1 586 . 1 . 1 79 79 VAL H H 1 8.07 0 . 1 . . . . . 79 V HN . 50404 1 587 . 1 . 1 79 79 VAL HA H 1 3.498 0.05 . 1 . . . . . 79 V HA . 50404 1 588 . 1 . 1 79 79 VAL HB H 1 2.156 0.05 . 1 . . . . . 79 V HB . 50404 1 589 . 1 . 1 79 79 VAL HG11 H 1 0.985 0 . 1 . . . . . 79 V QG1 . 50404 1 590 . 1 . 1 79 79 VAL HG12 H 1 0.985 0 . 1 . . . . . 79 V QG1 . 50404 1 591 . 1 . 1 79 79 VAL HG13 H 1 0.985 0 . 1 . . . . . 79 V QG1 . 50404 1 592 . 1 . 1 79 79 VAL HG21 H 1 0.887 0 . 1 . . . . . 79 V QG2 . 50404 1 593 . 1 . 1 79 79 VAL HG22 H 1 0.887 0 . 1 . . . . . 79 V QG2 . 50404 1 594 . 1 . 1 79 79 VAL HG23 H 1 0.887 0 . 1 . . . . . 79 V QG2 . 50404 1 595 . 1 . 1 79 79 VAL C C 13 178.4 0.1 . 1 . . . . . 79 V C . 50404 1 596 . 1 . 1 79 79 VAL CA C 13 67.042 0.015 . 1 . . . . . 79 V CA . 50404 1 597 . 1 . 1 79 79 VAL CB C 13 31.648 0.015 . 1 . . . . . 79 V CB . 50404 1 598 . 1 . 1 79 79 VAL CG1 C 13 22.881 0.015 . 1 . . . . . 79 V CG1 . 50404 1 599 . 1 . 1 79 79 VAL CG2 C 13 21.061 0.015 . 1 . . . . . 79 V CG2 . 50404 1 600 . 1 . 1 79 79 VAL N N 15 121.803 0.05 . 1 . . . . . 79 V N . 50404 1 601 . 1 . 1 80 80 LEU H H 1 8.232 0 . 1 . . . . . 80 L HN . 50404 1 602 . 1 . 1 80 80 LEU HA H 1 3.973 0.05 . 1 . . . . . 80 L HA . 50404 1 603 . 1 . 1 80 80 LEU HB2 H 1 1.706 0.05 . 1 . . . . . 80 L QB . 50404 1 604 . 1 . 1 80 80 LEU HB3 H 1 1.706 0.05 . 1 . . . . . 80 L QB . 50404 1 605 . 1 . 1 80 80 LEU HG H 1 1.921 0.05 . 1 . . . . . 80 L HG . 50404 1 606 . 1 . 1 80 80 LEU HD11 H 1 0.958 0.05 . 1 . . . . . 80 L QQD . 50404 1 607 . 1 . 1 80 80 LEU HD12 H 1 0.958 0.05 . 1 . . . . . 80 L QQD . 50404 1 608 . 1 . 1 80 80 LEU HD13 H 1 0.958 0.05 . 1 . . . . . 80 L QQD . 50404 1 609 . 1 . 1 80 80 LEU HD21 H 1 0.958 0.05 . 1 . . . . . 80 L QQD . 50404 1 610 . 1 . 1 80 80 LEU HD22 H 1 0.958 0.05 . 1 . . . . . 80 L QQD . 50404 1 611 . 1 . 1 80 80 LEU HD23 H 1 0.958 0.05 . 1 . . . . . 80 L QQD . 50404 1 612 . 1 . 1 80 80 LEU C C 13 180.341 0.1 . 1 . . . . . 80 L C . 50404 1 613 . 1 . 1 80 80 LEU CA C 13 58.275 0.015 . 1 . . . . . 80 L CA . 50404 1 614 . 1 . 1 80 80 LEU CB C 13 41.718 0.015 . 1 . . . . . 80 L CB . 50404 1 615 . 1 . 1 80 80 LEU CG C 13 27.084 0.015 . 1 . . . . . 80 L CG . 50404 1 616 . 1 . 1 80 80 LEU CD1 C 13 25.254 0.015 . 1 . . . . . 80 L CD1 . 50404 1 617 . 1 . 1 80 80 LEU CD2 C 13 23.66 0.015 . 1 . . . . . 80 L CD2 . 50404 1 618 . 1 . 1 80 80 LEU N N 15 118.49 0.05 . 1 . . . . . 80 L N . 50404 1 619 . 1 . 1 81 81 PHE H H 1 8.625 0 . 1 . . . . . 81 F HN . 50404 1 620 . 1 . 1 81 81 PHE HA H 1 4.021 0.05 . 1 . . . . . 81 F HA . 50404 1 621 . 1 . 1 81 81 PHE HB2 H 1 3.33 0.05 . 1 . . . . . 81 F QB . 50404 1 622 . 1 . 1 81 81 PHE HB3 H 1 3.33 0.05 . 1 . . . . . 81 F QB . 50404 1 623 . 1 . 1 81 81 PHE C C 13 177.28 0.1 . 1 . . . . . 81 F C . 50404 1 624 . 1 . 1 81 81 PHE CA C 13 62.174 0.015 . 1 . . . . . 81 F CA . 50404 1 625 . 1 . 1 81 81 PHE CB C 13 40.603 0.015 . 1 . . . . . 81 F CB . 50404 1 626 . 1 . 1 81 81 PHE N N 15 121.103 0.05 . 1 . . . . . 81 F N . 50404 1 627 . 1 . 1 82 82 THR H H 1 7.749 0 . 1 . . . . . 82 T HN . 50404 1 628 . 1 . 1 82 82 THR HA H 1 3.665 0.05 . 1 . . . . . 82 T HA . 50404 1 629 . 1 . 1 82 82 THR HB H 1 4.393 0.05 . 1 . . . . . 82 T HB . 50404 1 630 . 1 . 1 82 82 THR HG21 H 1 1.079 0 . 1 . . . . . 82 T QG2 . 50404 1 631 . 1 . 1 82 82 THR HG22 H 1 1.079 0 . 1 . . . . . 82 T QG2 . 50404 1 632 . 1 . 1 82 82 THR HG23 H 1 1.079 0 . 1 . . . . . 82 T QG2 . 50404 1 633 . 1 . 1 82 82 THR C C 13 174.187 0.1 . 1 . . . . . 82 T C . 50404 1 634 . 1 . 1 82 82 THR CA C 13 61.977 0.015 . 1 . . . . . 82 T CA . 50404 1 635 . 1 . 1 82 82 THR CB C 13 69.848 0.015 . 1 . . . . . 82 T CB . 50404 1 636 . 1 . 1 82 82 THR CG2 C 13 21.562 0.015 . 1 . . . . . 82 T CG2 . 50404 1 637 . 1 . 1 82 82 THR N N 15 102.434 0.05 . 1 . . . . . 82 T N . 50404 1 638 . 1 . 1 83 83 ARG H H 1 7.457 0 . 1 . . . . . 83 R HN . 50404 1 639 . 1 . 1 83 83 ARG HA H 1 4.603 0.05 . 1 . . . . . 83 R HA . 50404 1 640 . 1 . 1 83 83 ARG HB2 H 1 2.006 0.05 . 1 . . . . . 83 R QB . 50404 1 641 . 1 . 1 83 83 ARG HB3 H 1 2.006 0.05 . 1 . . . . . 83 R QB . 50404 1 642 . 1 . 1 83 83 ARG HG2 H 1 1.886 0.05 . 1 . . . . . 83 R QG . 50404 1 643 . 1 . 1 83 83 ARG HG3 H 1 1.886 0.05 . 1 . . . . . 83 R QG . 50404 1 644 . 1 . 1 83 83 ARG HD2 H 1 3.135 0.05 . 1 . . . . . 83 R QD . 50404 1 645 . 1 . 1 83 83 ARG HD3 H 1 3.135 0.05 . 1 . . . . . 83 R QD . 50404 1 646 . 1 . 1 83 83 ARG C C 13 176.306 0.1 . 1 . . . . . 83 R C . 50404 1 647 . 1 . 1 83 83 ARG CA C 13 55.299 0.015 . 1 . . . . . 83 R CA . 50404 1 648 . 1 . 1 83 83 ARG CB C 13 31.46 0.015 . 1 . . . . . 83 R CB . 50404 1 649 . 1 . 1 83 83 ARG CG C 13 27.255 0.015 . 1 . . . . . 83 R CG . 50404 1 650 . 1 . 1 83 83 ARG CD C 13 44.101 0.015 . 1 . . . . . 83 R CD . 50404 1 651 . 1 . 1 83 83 ARG N N 15 117.906 0.05 . 1 . . . . . 83 R N . 50404 1 652 . 1 . 1 84 84 ARG H H 1 7.144 0 . 1 . . . . . 84 R HN . 50404 1 653 . 1 . 1 84 84 ARG HA H 1 4.222 0.05 . 1 . . . . . 84 R HA . 50404 1 654 . 1 . 1 84 84 ARG HB2 H 1 2.252 0.05 . 1 . . . . . 84 R QB . 50404 1 655 . 1 . 1 84 84 ARG HB3 H 1 2.252 0.05 . 1 . . . . . 84 R QB . 50404 1 656 . 1 . 1 84 84 ARG HG2 H 1 1.769 0.05 . 1 . . . . . 84 R QG . 50404 1 657 . 1 . 1 84 84 ARG HG3 H 1 1.769 0.05 . 1 . . . . . 84 R QG . 50404 1 658 . 1 . 1 84 84 ARG HD2 H 1 3.34 0.05 . 1 . . . . . 84 R QD . 50404 1 659 . 1 . 1 84 84 ARG HD3 H 1 3.34 0.05 . 1 . . . . . 84 R QD . 50404 1 660 . 1 . 1 84 84 ARG C C 13 178.006 0.1 . 1 . . . . . 84 R C . 50404 1 661 . 1 . 1 84 84 ARG CA C 13 56.903 0.015 . 1 . . . . . 84 R CA . 50404 1 662 . 1 . 1 84 84 ARG CB C 13 32.449 0.015 . 1 . . . . . 84 R CB . 50404 1 663 . 1 . 1 84 84 ARG CG C 13 27.79 0.015 . 1 . . . . . 84 R CG . 50404 1 664 . 1 . 1 84 84 ARG CD C 13 44.148 0.015 . 1 . . . . . 84 R CD . 50404 1 665 . 1 . 1 84 84 ARG N N 15 120.844 0.05 . 1 . . . . . 84 R N . 50404 1 666 . 1 . 1 85 85 LEU H H 1 8.935 0 . 1 . . . . . 85 L HN . 50404 1 667 . 1 . 1 85 85 LEU HA H 1 3.962 0.05 . 1 . . . . . 85 L HA . 50404 1 668 . 1 . 1 85 85 LEU HG H 1 1.596 0.05 . 1 . . . . . 85 L HG . 50404 1 669 . 1 . 1 85 85 LEU HD11 H 1 0.956 0.05 . 1 . . . . . 85 L QD1 . 50404 1 670 . 1 . 1 85 85 LEU HD12 H 1 0.956 0.05 . 1 . . . . . 85 L QD1 . 50404 1 671 . 1 . 1 85 85 LEU HD13 H 1 0.956 0.05 . 1 . . . . . 85 L QD1 . 50404 1 672 . 1 . 1 85 85 LEU HD21 H 1 0.963 0 . 1 . . . . . 85 L QD2 . 50404 1 673 . 1 . 1 85 85 LEU HD22 H 1 0.963 0 . 1 . . . . . 85 L QD2 . 50404 1 674 . 1 . 1 85 85 LEU HD23 H 1 0.963 0 . 1 . . . . . 85 L QD2 . 50404 1 675 . 1 . 1 85 85 LEU C C 13 178.903 0.1 . 1 . . . . . 85 L C . 50404 1 676 . 1 . 1 85 85 LEU CA C 13 58.771 0.015 . 1 . . . . . 85 L CA . 50404 1 677 . 1 . 1 85 85 LEU CB C 13 41.284 0.015 . 1 . . . . . 85 L CB . 50404 1 678 . 1 . 1 85 85 LEU CG C 13 27.49 0.015 . 1 . . . . . 85 L CG . 50404 1 679 . 1 . 1 85 85 LEU CD1 C 13 24.612 0.015 . 1 . . . . . 85 L CD1 . 50404 1 680 . 1 . 1 85 85 LEU CD2 C 13 24.833 0.015 . 1 . . . . . 85 L CD2 . 50404 1 681 . 1 . 1 85 85 LEU N N 15 123.637 0.05 . 1 . . . . . 85 L N . 50404 1 682 . 1 . 1 86 86 ASP H H 1 8.601 0 . 1 . . . . . 86 D HN . 50404 1 683 . 1 . 1 86 86 ASP HA H 1 4.196 0.05 . 1 . . . . . 86 D HA . 50404 1 684 . 1 . 1 86 86 ASP HB2 H 1 2.68 0.05 . 1 . . . . . 86 D HB2 . 50404 1 685 . 1 . 1 86 86 ASP HB3 H 1 2.489 0.05 . 1 . . . . . 86 D HB3 . 50404 1 686 . 1 . 1 86 86 ASP C C 13 177.736 0.1 . 1 . . . . . 86 D C . 50404 1 687 . 1 . 1 86 86 ASP CA C 13 55.991 0.015 . 1 . . . . . 86 D CA . 50404 1 688 . 1 . 1 86 86 ASP CB C 13 38.668 0.015 . 1 . . . . . 86 D CB . 50404 1 689 . 1 . 1 86 86 ASP N N 15 115.179 0.05 . 1 . . . . . 86 D N . 50404 1 690 . 1 . 1 87 87 TYR H H 1 7.296 0 . 1 . . . . . 87 Y HN . 50404 1 691 . 1 . 1 87 87 TYR HA H 1 4.122 0.05 . 1 . . . . . 87 Y HA . 50404 1 692 . 1 . 1 87 87 TYR HB2 H 1 3.016 0.05 . 1 . . . . . 87 Y HB2 . 50404 1 693 . 1 . 1 87 87 TYR HB3 H 1 2.654 0.05 . 1 . . . . . 87 Y HB3 . 50404 1 694 . 1 . 1 87 87 TYR C C 13 178.086 0.1 . 1 . . . . . 87 Y C . 50404 1 695 . 1 . 1 87 87 TYR CA C 13 60.988 0.015 . 1 . . . . . 87 Y CA . 50404 1 696 . 1 . 1 87 87 TYR CB C 13 39.13 0.015 . 1 . . . . . 87 Y CB . 50404 1 697 . 1 . 1 87 87 TYR N N 15 121.511 0.05 . 1 . . . . . 87 Y N . 50404 1 698 . 1 . 1 88 88 LEU H H 1 8.527 0 . 1 . . . . . 88 L HN . 50404 1 699 . 1 . 1 88 88 LEU HA H 1 3.872 0.05 . 1 . . . . . 88 L HA . 50404 1 700 . 1 . 1 88 88 LEU HB2 H 1 1.876 0.05 . 1 . . . . . 88 L QB . 50404 1 701 . 1 . 1 88 88 LEU HB3 H 1 1.876 0.05 . 1 . . . . . 88 L QB . 50404 1 702 . 1 . 1 88 88 LEU HG H 1 1.335 0.05 . 1 . . . . . 88 L HG . 50404 1 703 . 1 . 1 88 88 LEU HD11 H 1 0.866 0.05 . 1 . . . . . 88 L QQD . 50404 1 704 . 1 . 1 88 88 LEU HD12 H 1 0.866 0.05 . 1 . . . . . 88 L QQD . 50404 1 705 . 1 . 1 88 88 LEU HD13 H 1 0.866 0.05 . 1 . . . . . 88 L QQD . 50404 1 706 . 1 . 1 88 88 LEU HD21 H 1 0.866 0.05 . 1 . . . . . 88 L QQD . 50404 1 707 . 1 . 1 88 88 LEU HD22 H 1 0.866 0.05 . 1 . . . . . 88 L QQD . 50404 1 708 . 1 . 1 88 88 LEU HD23 H 1 0.866 0.05 . 1 . . . . . 88 L QQD . 50404 1 709 . 1 . 1 88 88 LEU C C 13 179.8 0.1 . 1 . . . . . 88 L C . 50404 1 710 . 1 . 1 88 88 LEU CA C 13 58.308 0.015 . 1 . . . . . 88 L CA . 50404 1 711 . 1 . 1 88 88 LEU CB C 13 41.982 0.015 . 1 . . . . . 88 L CB . 50404 1 712 . 1 . 1 88 88 LEU CG C 13 26.751 0.015 . 1 . . . . . 88 L CG . 50404 1 713 . 1 . 1 88 88 LEU CD1 C 13 23.62 0.015 . 1 . . . . . 88 L CD1 . 50404 1 714 . 1 . 1 88 88 LEU CD2 C 13 23.763 0.015 . 1 . . . . . 88 L CD2 . 50404 1 715 . 1 . 1 88 88 LEU N N 15 119.83 0.05 . 1 . . . . . 88 L N . 50404 1 716 . 1 . 1 89 89 ALA H H 1 7.936 0 . 1 . . . . . 89 A HN . 50404 1 717 . 1 . 1 89 89 ALA HA H 1 3.912 0.05 . 1 . . . . . 89 A HA . 50404 1 718 . 1 . 1 89 89 ALA HB1 H 1 1.392 0.05 . 1 . . . . . 89 A HB . 50404 1 719 . 1 . 1 89 89 ALA HB2 H 1 1.392 0.05 . 1 . . . . . 89 A HB . 50404 1 720 . 1 . 1 89 89 ALA HB3 H 1 1.392 0.05 . 1 . . . . . 89 A HB . 50404 1 721 . 1 . 1 89 89 ALA C C 13 177.943 0.1 . 1 . . . . . 89 A C . 50404 1 722 . 1 . 1 89 89 ALA CA C 13 53.871 0.015 . 1 . . . . . 89 A CA . 50404 1 723 . 1 . 1 89 89 ALA CB C 13 18.624 0.015 . 1 . . . . . 89 A CB . 50404 1 724 . 1 . 1 89 89 ALA N N 15 116.872 0.05 . 1 . . . . . 89 A N . 50404 1 725 . 1 . 1 90 90 CYS H H 1 7.491 0 . 1 . . . . . 90 C HN . 50404 1 726 . 1 . 1 90 90 CYS HA H 1 4.651 0.05 . 1 . . . . . 90 C HA . 50404 1 727 . 1 . 1 90 90 CYS HB2 H 1 2.644 0.05 . 1 . . . . . 90 C HB2 . 50404 1 728 . 1 . 1 90 90 CYS HB3 H 1 2.891 0.05 . 1 . . . . . 90 C HB3 . 50404 1 729 . 1 . 1 90 90 CYS C C 13 175.454 0.1 . 1 . . . . . 90 C C . 50404 1 730 . 1 . 1 90 90 CYS CA C 13 58.007 0.015 . 1 . . . . . 90 C CA . 50404 1 731 . 1 . 1 90 90 CYS CB C 13 27.338 0.015 . 1 . . . . . 90 C CB . 50404 1 732 . 1 . 1 90 90 CYS N N 15 115.446 0.05 . 1 . . . . . 90 C N . 50404 1 733 . 1 . 1 91 91 LEU H H 1 7.002 0 . 1 . . . . . 91 L HN . 50404 1 734 . 1 . 1 91 91 LEU HA H 1 4.093 0.05 . 1 . . . . . 91 L HA . 50404 1 735 . 1 . 1 91 91 LEU HB2 H 1 1.99 0.05 . 1 . . . . . 91 L HB2 . 50404 1 736 . 1 . 1 91 91 LEU HB3 H 1 1.999 0.05 . 1 . . . . . 91 L HB3 . 50404 1 737 . 1 . 1 91 91 LEU C C 13 175.875 0.1 . 1 . . . . . 91 L C . 50404 1 738 . 1 . 1 91 91 LEU CA C 13 54.874 0.015 . 1 . . . . . 91 L CA . 50404 1 739 . 1 . 1 91 91 LEU CB C 13 42.631 0.015 . 1 . . . . . 91 L CB . 50404 1 740 . 1 . 1 91 91 LEU CG C 13 26.89 0.015 . 1 . . . . . 91 L CG . 50404 1 741 . 1 . 1 91 91 LEU CD1 C 13 23.31 0.015 . 1 . . . . . 91 L CD1 . 50404 1 742 . 1 . 1 91 91 LEU CD2 C 13 25.025 0.015 . 1 . . . . . 91 L CD2 . 50404 1 743 . 1 . 1 91 91 LEU N N 15 124.882 0.05 . 1 . . . . . 91 L N . 50404 1 744 . 1 . 1 92 92 LYS H H 1 7.476 0 . 1 . . . . . 92 K HN . 50404 1 745 . 1 . 1 92 92 LYS CA C 13 58.296 0.015 . 1 . . . . . 92 K CA . 50404 1 746 . 1 . 1 92 92 LYS CB C 13 30.196 0.015 . 1 . . . . . 92 K CB . 50404 1 747 . 1 . 1 92 92 LYS N N 15 125.958 0.05 . 1 . . . . . 92 K N . 50404 1 748 . 1 . 1 93 93 ALA HA H 1 3.56 0.05 . 1 . . . . . 93 A HA . 50404 1 749 . 1 . 1 93 93 ALA HB1 H 1 1.303 0.05 . 1 . . . . . 93 A HB . 50404 1 750 . 1 . 1 93 93 ALA HB2 H 1 1.303 0.05 . 1 . . . . . 93 A HB . 50404 1 751 . 1 . 1 93 93 ALA HB3 H 1 1.303 0.05 . 1 . . . . . 93 A HB . 50404 1 752 . 1 . 1 93 93 ALA C C 13 178.317 0.1 . 1 . . . . . 93 A C . 50404 1 753 . 1 . 1 93 93 ALA CA C 13 53.737 0.015 . 1 . . . . . 93 A CA . 50404 1 754 . 1 . 1 93 93 ALA CB C 13 17.872 0.015 . 1 . . . . . 93 A CB . 50404 1 755 . 1 . 1 94 94 ARG H H 1 8.82 0 . 1 . . . . . 94 R HN . 50404 1 756 . 1 . 1 94 94 ARG HA H 1 3.757 0.05 . 1 . . . . . 94 R HA . 50404 1 757 . 1 . 1 94 94 ARG C C 13 175.953 0.1 . 1 . . . . . 94 R C . 50404 1 758 . 1 . 1 94 94 ARG CA C 13 59.087 0.015 . 1 . . . . . 94 R CA . 50404 1 759 . 1 . 1 94 94 ARG CB C 13 27.18 0.015 . 1 . . . . . 94 R CB . 50404 1 760 . 1 . 1 94 94 ARG CG C 13 26.159 0.015 . 1 . . . . . 94 R CG . 50404 1 761 . 1 . 1 94 94 ARG CD C 13 42.972 0.015 . 1 . . . . . 94 R CD . 50404 1 762 . 1 . 1 94 94 ARG N N 15 113.018 0.05 . 1 . . . . . 94 R N . 50404 1 763 . 1 . 1 95 95 GLU H H 1 7.917 0 . 1 . . . . . 95 E HN . 50404 1 764 . 1 . 1 95 95 GLU CA C 13 56.206 0.015 . 1 . . . . . 95 E CA . 50404 1 765 . 1 . 1 95 95 GLU CB C 13 30.5 0.015 . 1 . . . . . 95 E CB . 50404 1 766 . 1 . 1 95 95 GLU N N 15 119.55 0.05 . 1 . . . . . 95 E N . 50404 1 767 . 1 . 1 96 96 VAL HA H 1 4.205 0.05 . 1 . . . . . 96 V HA . 50404 1 768 . 1 . 1 96 96 VAL HB H 1 2.037 0.05 . 1 . . . . . 96 V HB . 50404 1 769 . 1 . 1 96 96 VAL HG11 H 1 0.994 0 . 1 . . . . . 96 V QQG . 50404 1 770 . 1 . 1 96 96 VAL HG12 H 1 0.994 0 . 1 . . . . . 96 V QQG . 50404 1 771 . 1 . 1 96 96 VAL HG13 H 1 0.994 0 . 1 . . . . . 96 V QQG . 50404 1 772 . 1 . 1 96 96 VAL HG21 H 1 0.994 0 . 1 . . . . . 96 V QQG . 50404 1 773 . 1 . 1 96 96 VAL HG22 H 1 0.994 0 . 1 . . . . . 96 V QQG . 50404 1 774 . 1 . 1 96 96 VAL HG23 H 1 0.994 0 . 1 . . . . . 96 V QQG . 50404 1 775 . 1 . 1 96 96 VAL C C 13 176.207 0.1 . 1 . . . . . 96 V C . 50404 1 776 . 1 . 1 96 96 VAL CA C 13 63.566 0.015 . 1 . . . . . 96 V CA . 50404 1 777 . 1 . 1 96 96 VAL CB C 13 33.235 0.015 . 1 . . . . . 96 V CB . 50404 1 778 . 1 . 1 96 96 VAL CG1 C 13 21.816 0.015 . 1 . . . . . 96 V CG1 . 50404 1 779 . 1 . 1 96 96 VAL CG2 C 13 21.97 0.015 . 1 . . . . . 96 V CG2 . 50404 1 780 . 1 . 1 97 97 ARG H H 1 8.444 0 . 1 . . . . . 97 R HN . 50404 1 781 . 1 . 1 97 97 ARG HA H 1 4.605 0.05 . 1 . . . . . 97 R HA . 50404 1 782 . 1 . 1 97 97 ARG HD2 H 1 3.304 0.05 . 1 . . . . . 97 R QD . 50404 1 783 . 1 . 1 97 97 ARG HD3 H 1 3.304 0.05 . 1 . . . . . 97 R QD . 50404 1 784 . 1 . 1 97 97 ARG C C 13 176.528 0.1 . 1 . . . . . 97 R C . 50404 1 785 . 1 . 1 97 97 ARG CA C 13 54.432 0.015 . 1 . . . . . 97 R CA . 50404 1 786 . 1 . 1 97 97 ARG CB C 13 31.926 0.015 . 1 . . . . . 97 R CB . 50404 1 787 . 1 . 1 97 97 ARG N N 15 121.731 0.05 . 1 . . . . . 97 R N . 50404 1 788 . 1 . 1 98 98 ILE H H 1 8.64 0 . 1 . . . . . 98 I HN . 50404 1 789 . 1 . 1 98 98 ILE HA H 1 5.369 0.05 . 1 . . . . . 98 I HA . 50404 1 790 . 1 . 1 98 98 ILE HB H 1 1.59 0.05 . 1 . . . . . 98 I HB . 50404 1 791 . 1 . 1 98 98 ILE HG12 H 1 1.143 0 . 1 . . . . . 98 I QG1 . 50404 1 792 . 1 . 1 98 98 ILE HG13 H 1 1.143 0 . 1 . . . . . 98 I QG1 . 50404 1 793 . 1 . 1 98 98 ILE HG21 H 1 0.632 0 . 1 . . . . . 98 I QG2 . 50404 1 794 . 1 . 1 98 98 ILE HG22 H 1 0.632 0 . 1 . . . . . 98 I QG2 . 50404 1 795 . 1 . 1 98 98 ILE HG23 H 1 0.632 0 . 1 . . . . . 98 I QG2 . 50404 1 796 . 1 . 1 98 98 ILE HD11 H 1 0.61 0.05 . 1 . . . . . 98 I QD1 . 50404 1 797 . 1 . 1 98 98 ILE HD12 H 1 0.61 0.05 . 1 . . . . . 98 I QD1 . 50404 1 798 . 1 . 1 98 98 ILE HD13 H 1 0.61 0.05 . 1 . . . . . 98 I QD1 . 50404 1 799 . 1 . 1 98 98 ILE C C 13 176.015 0.1 . 1 . . . . . 98 I C . 50404 1 800 . 1 . 1 98 98 ILE CA C 13 58.942 0.015 . 1 . . . . . 98 I CA . 50404 1 801 . 1 . 1 98 98 ILE CB C 13 42.128 0.015 . 1 . . . . . 98 I CB . 50404 1 802 . 1 . 1 98 98 ILE CG1 C 13 25.788 0.015 . 1 . . . . . 98 I CG1 . 50404 1 803 . 1 . 1 98 98 ILE CG2 C 13 18.134 0.015 . 1 . . . . . 98 I CG2 . 50404 1 804 . 1 . 1 98 98 ILE CD1 C 13 14.858 0.015 . 1 . . . . . 98 I CD1 . 50404 1 805 . 1 . 1 98 98 ILE N N 15 114.792 0.05 . 1 . . . . . 98 I N . 50404 1 806 . 1 . 1 99 99 ASP H H 1 8.029 0 . 1 . . . . . 99 D HN . 50404 1 807 . 1 . 1 99 99 ASP HA H 1 4.442 0.05 . 1 . . . . . 99 D HA . 50404 1 808 . 1 . 1 99 99 ASP HB2 H 1 3.915 0.05 . 1 . . . . . 99 D HB2 . 50404 1 809 . 1 . 1 99 99 ASP HB3 H 1 2.515 0.05 . 1 . . . . . 99 D HB3 . 50404 1 810 . 1 . 1 99 99 ASP C C 13 176.515 0.1 . 1 . . . . . 99 D C . 50404 1 811 . 1 . 1 99 99 ASP CA C 13 51.271 0.015 . 1 . . . . . 99 D CA . 50404 1 812 . 1 . 1 99 99 ASP CB C 13 41.032 0.015 . 1 . . . . . 99 D CB . 50404 1 813 . 1 . 1 99 99 ASP N N 15 119.88 0.05 . 1 . . . . . 99 D N . 50404 1 814 . 1 . 1 100 100 LEU H H 1 8.098 0 . 1 . . . . . 100 L HN . 50404 1 815 . 1 . 1 100 100 LEU HA H 1 3.596 0.05 . 1 . . . . . 100 L HA . 50404 1 816 . 1 . 1 100 100 LEU HD11 H 1 0.037 0.05 . 1 . . . . . 100 L QD1 . 50404 1 817 . 1 . 1 100 100 LEU HD12 H 1 0.037 0.05 . 1 . . . . . 100 L QD1 . 50404 1 818 . 1 . 1 100 100 LEU HD13 H 1 0.037 0.05 . 1 . . . . . 100 L QD1 . 50404 1 819 . 1 . 1 100 100 LEU HD21 H 1 0.358 0 . 1 . . . . . 100 L QD2 . 50404 1 820 . 1 . 1 100 100 LEU HD22 H 1 0.358 0 . 1 . . . . . 100 L QD2 . 50404 1 821 . 1 . 1 100 100 LEU HD23 H 1 0.358 0 . 1 . . . . . 100 L QD2 . 50404 1 822 . 1 . 1 100 100 LEU C C 13 176.297 0.1 . 1 . . . . . 100 L C . 50404 1 823 . 1 . 1 100 100 LEU CA C 13 56.837 0.015 . 1 . . . . . 100 L CA . 50404 1 824 . 1 . 1 100 100 LEU CB C 13 41.726 0.015 . 1 . . . . . 100 L CB . 50404 1 825 . 1 . 1 100 100 LEU CG C 13 26.121 0.015 . 1 . . . . . 100 L CG . 50404 1 826 . 1 . 1 100 100 LEU CD1 C 13 24.023 0.015 . 1 . . . . . 100 L CD1 . 50404 1 827 . 1 . 1 100 100 LEU CD2 C 13 22.252 0.015 . 1 . . . . . 100 L CD2 . 50404 1 828 . 1 . 1 100 100 LEU N N 15 112.751 0.05 . 1 . . . . . 100 L N . 50404 1 829 . 1 . 1 101 101 HIS H H 1 7.714 0 . 1 . . . . . 101 H HN . 50404 1 830 . 1 . 1 101 101 HIS HA H 1 4.563 0.05 . 1 . . . . . 101 H HA . 50404 1 831 . 1 . 1 101 101 HIS HB2 H 1 3.463 0.05 . 1 . . . . . 101 H HB2 . 50404 1 832 . 1 . 1 101 101 HIS HB3 H 1 2.852 0.05 . 1 . . . . . 101 H HB3 . 50404 1 833 . 1 . 1 101 101 HIS C C 13 175.829 0.1 . 1 . . . . . 101 H C . 50404 1 834 . 1 . 1 101 101 HIS CA C 13 55.153 0.015 . 1 . . . . . 101 H CA . 50404 1 835 . 1 . 1 101 101 HIS CB C 13 31.061 0.015 . 1 . . . . . 101 H CB . 50404 1 836 . 1 . 1 101 101 HIS N N 15 112.445 0.05 . 1 . . . . . 101 H N . 50404 1 837 . 1 . 1 102 102 GLY H H 1 8.039 0 . 1 . . . . . 102 G HN . 50404 1 838 . 1 . 1 102 102 GLY HA2 H 1 4.233 0 . 1 . . . . . 102 G HA1 . 50404 1 839 . 1 . 1 102 102 GLY HA3 H 1 3.462 0 . 1 . . . . . 102 G HA2 . 50404 1 840 . 1 . 1 102 102 GLY C C 13 173.275 0.1 . 1 . . . . . 102 G C . 50404 1 841 . 1 . 1 102 102 GLY CA C 13 45.631 0.015 . 1 . . . . . 102 G CA . 50404 1 842 . 1 . 1 102 102 GLY N N 15 107.111 0.05 . 1 . . . . . 102 G N . 50404 1 843 . 1 . 1 103 103 ASN H H 1 8.766 0 . 1 . . . . . 103 N HN . 50404 1 844 . 1 . 1 103 103 ASN HA H 1 4.944 0.05 . 1 . . . . . 103 N HA . 50404 1 845 . 1 . 1 103 103 ASN HB2 H 1 2.821 0.05 . 1 . . . . . 103 N QB . 50404 1 846 . 1 . 1 103 103 ASN HB3 H 1 2.821 0.05 . 1 . . . . . 103 N QB . 50404 1 847 . 1 . 1 103 103 ASN HD21 H 1 8.713 0.05 . 1 . . . . . 103 N HD21 . 50404 1 848 . 1 . 1 103 103 ASN HD22 H 1 7.283 0.05 . 1 . . . . . 103 N HD22 . 50404 1 849 . 1 . 1 103 103 ASN CA C 13 51.581 0.015 . 1 . . . . . 103 N CA . 50404 1 850 . 1 . 1 103 103 ASN CB C 13 37.794 0.015 . 1 . . . . . 103 N CB . 50404 1 851 . 1 . 1 103 103 ASN N N 15 121.31 0.05 . 1 . . . . . 103 N N . 50404 1 852 . 1 . 1 103 103 ASN ND2 N 15 119.119 0 . 1 . . . . . 103 N ND2 . 50404 1 853 . 1 . 1 104 104 PRO HA H 1 4.539 0.05 . 1 . . . . . 104 P HA . 50404 1 854 . 1 . 1 104 104 PRO HB2 H 1 2.179 0.05 . 1 . . . . . 104 P QB . 50404 1 855 . 1 . 1 104 104 PRO HB3 H 1 2.179 0.05 . 1 . . . . . 104 P QB . 50404 1 856 . 1 . 1 104 104 PRO HG2 H 1 2.037 0.05 . 1 . . . . . 104 P QG . 50404 1 857 . 1 . 1 104 104 PRO HG3 H 1 2.037 0.05 . 1 . . . . . 104 P QG . 50404 1 858 . 1 . 1 104 104 PRO C C 13 178.223 0.1 . 1 . . . . . 104 P C . 50404 1 859 . 1 . 1 104 104 PRO CA C 13 62.756 0.015 . 1 . . . . . 104 P CA . 50404 1 860 . 1 . 1 104 104 PRO CB C 13 32.413 0.015 . 1 . . . . . 104 P CB . 50404 1 861 . 1 . 1 104 104 PRO CG C 13 27.62 0.015 . 1 . . . . . 104 P CG . 50404 1 862 . 1 . 1 104 104 PRO CD C 13 50.477 0.015 . 1 . . . . . 104 P CD . 50404 1 863 . 1 . 1 105 105 VAL H H 1 8.998 0 . 1 . . . . . 105 V HN . 50404 1 864 . 1 . 1 105 105 VAL HA H 1 4.501 0.05 . 1 . . . . . 105 V HA . 50404 1 865 . 1 . 1 105 105 VAL HB H 1 2.136 0.05 . 1 . . . . . 105 V HB . 50404 1 866 . 1 . 1 105 105 VAL HG11 H 1 0.919 0 . 1 . . . . . 105 V QG1 . 50404 1 867 . 1 . 1 105 105 VAL HG12 H 1 0.919 0 . 1 . . . . . 105 V QG1 . 50404 1 868 . 1 . 1 105 105 VAL HG13 H 1 0.919 0 . 1 . . . . . 105 V QG1 . 50404 1 869 . 1 . 1 105 105 VAL HG21 H 1 0.743 0 . 1 . . . . . 105 V QG2 . 50404 1 870 . 1 . 1 105 105 VAL HG22 H 1 0.743 0 . 1 . . . . . 105 V QG2 . 50404 1 871 . 1 . 1 105 105 VAL HG23 H 1 0.743 0 . 1 . . . . . 105 V QG2 . 50404 1 872 . 1 . 1 105 105 VAL C C 13 175.131 0.1 . 1 . . . . . 105 V C . 50404 1 873 . 1 . 1 105 105 VAL CA C 13 62.131 0.015 . 1 . . . . . 105 V CA . 50404 1 874 . 1 . 1 105 105 VAL CB C 13 34.319 0.015 . 1 . . . . . 105 V CB . 50404 1 875 . 1 . 1 105 105 VAL CG1 C 13 19.731 0.015 . 1 . . . . . 105 V CG1 . 50404 1 876 . 1 . 1 105 105 VAL CG2 C 13 19.629 0.015 . 1 . . . . . 105 V CG2 . 50404 1 877 . 1 . 1 105 105 VAL N N 15 118.179 0.05 . 1 . . . . . 105 V N . 50404 1 878 . 1 . 1 106 106 ALA H H 1 7.639 0 . 1 . . . . . 106 A HN . 50404 1 879 . 1 . 1 106 106 ALA HA H 1 4.612 0.05 . 1 . . . . . 106 A HA . 50404 1 880 . 1 . 1 106 106 ALA HB1 H 1 1.551 0.05 . 1 . . . . . 106 A HB . 50404 1 881 . 1 . 1 106 106 ALA HB2 H 1 1.551 0.05 . 1 . . . . . 106 A HB . 50404 1 882 . 1 . 1 106 106 ALA HB3 H 1 1.551 0.05 . 1 . . . . . 106 A HB . 50404 1 883 . 1 . 1 106 106 ALA C C 13 175.915 0.1 . 1 . . . . . 106 A C . 50404 1 884 . 1 . 1 106 106 ALA CA C 13 51.883 0.015 . 1 . . . . . 106 A CA . 50404 1 885 . 1 . 1 106 106 ALA CB C 13 22.373 0.015 . 1 . . . . . 106 A CB . 50404 1 886 . 1 . 1 106 106 ALA N N 15 120.771 0.05 . 1 . . . . . 106 A N . 50404 1 887 . 1 . 1 107 107 GLU H H 1 8.447 0 . 1 . . . . . 107 E HN . 50404 1 888 . 1 . 1 107 107 GLU HA H 1 5.135 0.05 . 1 . . . . . 107 E HA . 50404 1 889 . 1 . 1 107 107 GLU HB2 H 1 1.788 0.05 . 1 . . . . . 107 E QB . 50404 1 890 . 1 . 1 107 107 GLU HB3 H 1 1.788 0.05 . 1 . . . . . 107 E QB . 50404 1 891 . 1 . 1 107 107 GLU HG2 H 1 2.113 0.05 . 1 . . . . . 107 E QG . 50404 1 892 . 1 . 1 107 107 GLU HG3 H 1 2.113 0.05 . 1 . . . . . 107 E QG . 50404 1 893 . 1 . 1 107 107 GLU C C 13 176.938 0.1 . 1 . . . . . 107 E C . 50404 1 894 . 1 . 1 107 107 GLU CA C 13 55.025 0.015 . 1 . . . . . 107 E CA . 50404 1 895 . 1 . 1 107 107 GLU CB C 13 33.175 0.015 . 1 . . . . . 107 E CB . 50404 1 896 . 1 . 1 107 107 GLU CG C 13 36.013 0.015 . 1 . . . . . 107 E CG . 50404 1 897 . 1 . 1 107 107 GLU N N 15 118.421 0.05 . 1 . . . . . 107 E N . 50404 1 898 . 1 . 1 108 108 VAL H H 1 9.173 0 . 1 . . . . . 108 V HN . 50404 1 899 . 1 . 1 108 108 VAL HA H 1 4.09 0.05 . 1 . . . . . 108 V HA . 50404 1 900 . 1 . 1 108 108 VAL HB H 1 2.373 0.05 . 1 . . . . . 108 V HB . 50404 1 901 . 1 . 1 108 108 VAL HG11 H 1 0.85 0 . 1 . . . . . 108 V QQG . 50404 1 902 . 1 . 1 108 108 VAL HG12 H 1 0.85 0 . 1 . . . . . 108 V QQG . 50404 1 903 . 1 . 1 108 108 VAL HG13 H 1 0.85 0 . 1 . . . . . 108 V QQG . 50404 1 904 . 1 . 1 108 108 VAL HG21 H 1 0.85 0 . 1 . . . . . 108 V QQG . 50404 1 905 . 1 . 1 108 108 VAL HG22 H 1 0.85 0 . 1 . . . . . 108 V QQG . 50404 1 906 . 1 . 1 108 108 VAL HG23 H 1 0.85 0 . 1 . . . . . 108 V QQG . 50404 1 907 . 1 . 1 108 108 VAL C C 13 177.594 0.1 . 1 . . . . . 108 V C . 50404 1 908 . 1 . 1 108 108 VAL CA C 13 62.866 0.015 . 1 . . . . . 108 V CA . 50404 1 909 . 1 . 1 108 108 VAL CB C 13 32.166 0.015 . 1 . . . . . 108 V CB . 50404 1 910 . 1 . 1 108 108 VAL CG1 C 13 21.666 0.015 . 1 . . . . . 108 V CG1 . 50404 1 911 . 1 . 1 108 108 VAL CG2 C 13 23.531 0.015 . 1 . . . . . 108 V CG2 . 50404 1 912 . 1 . 1 108 108 VAL N N 15 124.415 0.05 . 1 . . . . . 108 V N . 50404 1 913 . 1 . 1 109 109 THR H H 1 8.821 0 . 1 . . . . . 109 T HN . 50404 1 914 . 1 . 1 109 109 THR HA H 1 4.58 0.05 . 1 . . . . . 109 T HA . 50404 1 915 . 1 . 1 109 109 THR HB H 1 4.853 0.05 . 1 . . . . . 109 T HB . 50404 1 916 . 1 . 1 109 109 THR HG21 H 1 1.392 0 . 1 . . . . . 109 T QG2 . 50404 1 917 . 1 . 1 109 109 THR HG22 H 1 1.392 0 . 1 . . . . . 109 T QG2 . 50404 1 918 . 1 . 1 109 109 THR HG23 H 1 1.392 0 . 1 . . . . . 109 T QG2 . 50404 1 919 . 1 . 1 109 109 THR C C 13 175.394 0.1 . 1 . . . . . 109 T C . 50404 1 920 . 1 . 1 109 109 THR CA C 13 60.964 0.015 . 1 . . . . . 109 T CA . 50404 1 921 . 1 . 1 109 109 THR CB C 13 71.162 0.015 . 1 . . . . . 109 T CB . 50404 1 922 . 1 . 1 109 109 THR CG2 C 13 21.969 0.015 . 1 . . . . . 109 T CG2 . 50404 1 923 . 1 . 1 109 109 THR N N 15 122.412 0.05 . 1 . . . . . 109 T N . 50404 1 924 . 1 . 1 110 110 GLU H H 1 9.152 0 . 1 . . . . . 110 E HN . 50404 1 925 . 1 . 1 110 110 GLU HA H 1 3.988 0.05 . 1 . . . . . 110 E HA . 50404 1 926 . 1 . 1 110 110 GLU HB2 H 1 2.082 0.05 . 1 . . . . . 110 E QB . 50404 1 927 . 1 . 1 110 110 GLU HB3 H 1 2.082 0.05 . 1 . . . . . 110 E QB . 50404 1 928 . 1 . 1 110 110 GLU HG2 H 1 2.379 0.05 . 1 . . . . . 110 E QG . 50404 1 929 . 1 . 1 110 110 GLU HG3 H 1 2.379 0.05 . 1 . . . . . 110 E QG . 50404 1 930 . 1 . 1 110 110 GLU C C 13 179.136 0.1 . 1 . . . . . 110 E C . 50404 1 931 . 1 . 1 110 110 GLU CA C 13 60.717 0.015 . 1 . . . . . 110 E CA . 50404 1 932 . 1 . 1 110 110 GLU CB C 13 29.065 0.015 . 1 . . . . . 110 E CB . 50404 1 933 . 1 . 1 110 110 GLU CG C 13 36.756 0.015 . 1 . . . . . 110 E CG . 50404 1 934 . 1 . 1 110 110 GLU N N 15 120.513 0.05 . 1 . . . . . 110 E N . 50404 1 935 . 1 . 1 111 111 GLU H H 1 8.774 0 . 1 . . . . . 111 E HN . 50404 1 936 . 1 . 1 111 111 GLU HA H 1 4.138 0.05 . 1 . . . . . 111 E HA . 50404 1 937 . 1 . 1 111 111 GLU HB2 H 1 1.934 0.05 . 1 . . . . . 111 E QB . 50404 1 938 . 1 . 1 111 111 GLU HB3 H 1 1.934 0.05 . 1 . . . . . 111 E QB . 50404 1 939 . 1 . 1 111 111 GLU HG2 H 1 2.313 0.05 . 1 . . . . . 111 E QG . 50404 1 940 . 1 . 1 111 111 GLU HG3 H 1 2.313 0.05 . 1 . . . . . 111 E QG . 50404 1 941 . 1 . 1 111 111 GLU C C 13 179.367 0.1 . 1 . . . . . 111 E C . 50404 1 942 . 1 . 1 111 111 GLU CA C 13 60.022 0.015 . 1 . . . . . 111 E CA . 50404 1 943 . 1 . 1 111 111 GLU CB C 13 29.494 0.015 . 1 . . . . . 111 E CB . 50404 1 944 . 1 . 1 111 111 GLU CG C 13 36.546 0.015 . 1 . . . . . 111 E CG . 50404 1 945 . 1 . 1 111 111 GLU N N 15 119.899 0.05 . 1 . . . . . 111 E N . 50404 1 946 . 1 . 1 112 112 GLU H H 1 7.848 0 . 1 . . . . . 112 E HN . 50404 1 947 . 1 . 1 112 112 GLU HA H 1 3.992 0.05 . 1 . . . . . 112 E HA . 50404 1 948 . 1 . 1 112 112 GLU HB2 H 1 1.645 0.05 . 1 . . . . . 112 E QB . 50404 1 949 . 1 . 1 112 112 GLU HB3 H 1 1.645 0.05 . 1 . . . . . 112 E QB . 50404 1 950 . 1 . 1 112 112 GLU HG2 H 1 2.4 0.05 . 1 . . . . . 112 E QG . 50404 1 951 . 1 . 1 112 112 GLU HG3 H 1 2.4 0.05 . 1 . . . . . 112 E QG . 50404 1 952 . 1 . 1 112 112 GLU C C 13 180.498 0.1 . 1 . . . . . 112 E C . 50404 1 953 . 1 . 1 112 112 GLU CA C 13 58.644 0.015 . 1 . . . . . 112 E CA . 50404 1 954 . 1 . 1 112 112 GLU CB C 13 29.976 0.015 . 1 . . . . . 112 E CB . 50404 1 955 . 1 . 1 112 112 GLU CG C 13 36.65 0.015 . 1 . . . . . 112 E CG . 50404 1 956 . 1 . 1 112 112 GLU N N 15 119.893 0.05 . 1 . . . . . 112 E N . 50404 1 957 . 1 . 1 113 113 ALA H H 1 8.481 0 . 1 . . . . . 113 A HN . 50404 1 958 . 1 . 1 113 113 ALA HA H 1 4.292 0.05 . 1 . . . . . 113 A HA . 50404 1 959 . 1 . 1 113 113 ALA HB1 H 1 1.528 0.05 . 1 . . . . . 113 A HB . 50404 1 960 . 1 . 1 113 113 ALA HB2 H 1 1.528 0.05 . 1 . . . . . 113 A HB . 50404 1 961 . 1 . 1 113 113 ALA HB3 H 1 1.528 0.05 . 1 . . . . . 113 A HB . 50404 1 962 . 1 . 1 113 113 ALA C C 13 180.569 0.1 . 1 . . . . . 113 A C . 50404 1 963 . 1 . 1 113 113 ALA CA C 13 54.775 0.015 . 1 . . . . . 113 A CA . 50404 1 964 . 1 . 1 113 113 ALA CB C 13 19.308 0.015 . 1 . . . . . 113 A CB . 50404 1 965 . 1 . 1 113 113 ALA N N 15 124.129 0.05 . 1 . . . . . 113 A N . 50404 1 966 . 1 . 1 114 114 GLU H H 1 8.538 0 . 1 . . . . . 114 E HN . 50404 1 967 . 1 . 1 114 114 GLU HA H 1 4.169 0.05 . 1 . . . . . 114 E HA . 50404 1 968 . 1 . 1 114 114 GLU HB2 H 1 2.219 0.05 . 1 . . . . . 114 E QB . 50404 1 969 . 1 . 1 114 114 GLU HB3 H 1 2.219 0.05 . 1 . . . . . 114 E QB . 50404 1 970 . 1 . 1 114 114 GLU C C 13 179.246 0.1 . 1 . . . . . 114 E C . 50404 1 971 . 1 . 1 114 114 GLU CA C 13 59.159 0.015 . 1 . . . . . 114 E CA . 50404 1 972 . 1 . 1 114 114 GLU CB C 13 29.293 0.015 . 1 . . . . . 114 E CB . 50404 1 973 . 1 . 1 114 114 GLU CG C 13 36.056 0.015 . 1 . . . . . 114 E CG . 50404 1 974 . 1 . 1 114 114 GLU N N 15 121.648 0.05 . 1 . . . . . 114 E N . 50404 1 975 . 1 . 1 115 115 ASN H H 1 8.186 0 . 1 . . . . . 115 N HN . 50404 1 976 . 1 . 1 115 115 ASN HA H 1 4.488 0.05 . 1 . . . . . 115 N HA . 50404 1 977 . 1 . 1 115 115 ASN HB2 H 1 2.936 0.05 . 1 . . . . . 115 N HB2 . 50404 1 978 . 1 . 1 115 115 ASN HB3 H 1 2.76 0.05 . 1 . . . . . 115 N HB3 . 50404 1 979 . 1 . 1 115 115 ASN HD22 H 1 6.779 0.05 . 1 . . . . . 115 N HD22 . 50404 1 980 . 1 . 1 115 115 ASN C C 13 177.809 0.1 . 1 . . . . . 115 N C . 50404 1 981 . 1 . 1 115 115 ASN CA C 13 56.385 0.015 . 1 . . . . . 115 N CA . 50404 1 982 . 1 . 1 115 115 ASN CB C 13 38.8 0.015 . 1 . . . . . 115 N CB . 50404 1 983 . 1 . 1 115 115 ASN N N 15 118.562 0.05 . 1 . . . . . 115 N N . 50404 1 984 . 1 . 1 115 115 ASN ND2 N 15 110.207 0 . 1 . . . . . 115 N ND2 . 50404 1 985 . 1 . 1 116 116 ALA H H 1 7.897 0 . 1 . . . . . 116 A HN . 50404 1 986 . 1 . 1 116 116 ALA HA H 1 4.178 0.05 . 1 . . . . . 116 A HA . 50404 1 987 . 1 . 1 116 116 ALA HB1 H 1 1.749 0.05 . 1 . . . . . 116 A HB . 50404 1 988 . 1 . 1 116 116 ALA HB2 H 1 1.749 0.05 . 1 . . . . . 116 A HB . 50404 1 989 . 1 . 1 116 116 ALA HB3 H 1 1.749 0.05 . 1 . . . . . 116 A HB . 50404 1 990 . 1 . 1 116 116 ALA C C 13 179.056 0.1 . 1 . . . . . 116 A C . 50404 1 991 . 1 . 1 116 116 ALA CA C 13 55.795 0.015 . 1 . . . . . 116 A CA . 50404 1 992 . 1 . 1 116 116 ALA CB C 13 19.792 0.015 . 1 . . . . . 116 A CB . 50404 1 993 . 1 . 1 116 116 ALA N N 15 122.423 0.05 . 1 . . . . . 116 A N . 50404 1 994 . 1 . 1 117 117 SER H H 1 8.194 0 . 1 . . . . . 117 S HN . 50404 1 995 . 1 . 1 117 117 SER HA H 1 4.119 0.05 . 1 . . . . . 117 S HA . 50404 1 996 . 1 . 1 117 117 SER HB2 H 1 3.874 0.05 . 1 . . . . . 117 S QB . 50404 1 997 . 1 . 1 117 117 SER HB3 H 1 3.874 0.05 . 1 . . . . . 117 S QB . 50404 1 998 . 1 . 1 117 117 SER C C 13 177.389 0.1 . 1 . . . . . 117 S C . 50404 1 999 . 1 . 1 117 117 SER CA C 13 61.319 0.015 . 1 . . . . . 117 S CA . 50404 1 1000 . 1 . 1 117 117 SER CB C 13 62.783 0.015 . 1 . . . . . 117 S CB . 50404 1 1001 . 1 . 1 117 117 SER N N 15 112.824 0.05 . 1 . . . . . 117 S N . 50404 1 1002 . 1 . 1 118 118 MET H H 1 7.626 0 . 1 . . . . . 118 M HN . 50404 1 1003 . 1 . 1 118 118 MET HA H 1 4.353 0.05 . 1 . . . . . 118 M HA . 50404 1 1004 . 1 . 1 118 118 MET HB2 H 1 2.349 0.05 . 1 . . . . . 118 M QB . 50404 1 1005 . 1 . 1 118 118 MET HB3 H 1 2.349 0.05 . 1 . . . . . 118 M QB . 50404 1 1006 . 1 . 1 118 118 MET HG2 H 1 2.822 0.05 . 1 . . . . . 118 M QG . 50404 1 1007 . 1 . 1 118 118 MET HG3 H 1 2.822 0.05 . 1 . . . . . 118 M QG . 50404 1 1008 . 1 . 1 118 118 MET HE1 H 1 2.117 0 . 1 . . . . . 118 M HE . 50404 1 1009 . 1 . 1 118 118 MET HE2 H 1 2.117 0 . 1 . . . . . 118 M HE . 50404 1 1010 . 1 . 1 118 118 MET HE3 H 1 2.117 0 . 1 . . . . . 118 M HE . 50404 1 1011 . 1 . 1 118 118 MET CA C 13 58.25 0.015 . 1 . . . . . 118 M CA . 50404 1 1012 . 1 . 1 118 118 MET CB C 13 31.691 0.015 . 1 . . . . . 118 M CB . 50404 1 1013 . 1 . 1 118 118 MET N N 15 122.773 0.05 . 1 . . . . . 118 M N . 50404 1 1014 . 1 . 1 119 119 LYS HA H 1 4.05 0.05 . 1 . . . . . 119 K HA . 50404 1 1015 . 1 . 1 119 119 LYS HB2 H 1 2.155 0.05 . 1 . . . . . 119 K QB . 50404 1 1016 . 1 . 1 119 119 LYS HB3 H 1 2.155 0.05 . 1 . . . . . 119 K QB . 50404 1 1017 . 1 . 1 119 119 LYS HG2 H 1 1.521 0.05 . 1 . . . . . 119 K QG . 50404 1 1018 . 1 . 1 119 119 LYS HG3 H 1 1.521 0.05 . 1 . . . . . 119 K QG . 50404 1 1019 . 1 . 1 119 119 LYS HD2 H 1 1.912 0.05 . 1 . . . . . 119 K QD . 50404 1 1020 . 1 . 1 119 119 LYS HD3 H 1 1.912 0.05 . 1 . . . . . 119 K QD . 50404 1 1021 . 1 . 1 119 119 LYS HE2 H 1 2.949 0 . 1 . . . . . 119 K QE . 50404 1 1022 . 1 . 1 119 119 LYS HE3 H 1 2.949 0 . 1 . . . . . 119 K QE . 50404 1 1023 . 1 . 1 119 119 LYS C C 13 179.337 0.1 . 1 . . . . . 119 K C . 50404 1 1024 . 1 . 1 119 119 LYS CA C 13 59.177 0.015 . 1 . . . . . 119 K CA . 50404 1 1025 . 1 . 1 119 119 LYS CB C 13 33.025 0.015 . 1 . . . . . 119 K CB . 50404 1 1026 . 1 . 1 119 119 LYS CG C 13 26.121 0.015 . 1 . . . . . 119 K CG . 50404 1 1027 . 1 . 1 119 119 LYS CD C 13 29.636 0.015 . 1 . . . . . 119 K CD . 50404 1 1028 . 1 . 1 119 119 LYS CE C 13 42.908 0 . 1 . . . . . 119 K CE . 50404 1 1029 . 1 . 1 120 120 ILE H H 1 7.908 0 . 1 . . . . . 120 I HN . 50404 1 1030 . 1 . 1 120 120 ILE HA H 1 3.643 0.05 . 1 . . . . . 120 I HA . 50404 1 1031 . 1 . 1 120 120 ILE HB H 1 0.928 0.05 . 1 . . . . . 120 I HB . 50404 1 1032 . 1 . 1 120 120 ILE HG21 H 1 0.944 0 . 1 . . . . . 120 I QG2 . 50404 1 1033 . 1 . 1 120 120 ILE HG22 H 1 0.944 0 . 1 . . . . . 120 I QG2 . 50404 1 1034 . 1 . 1 120 120 ILE HG23 H 1 0.944 0 . 1 . . . . . 120 I QG2 . 50404 1 1035 . 1 . 1 120 120 ILE HD11 H 1 0.943 0.05 . 1 . . . . . 120 I QD1 . 50404 1 1036 . 1 . 1 120 120 ILE HD12 H 1 0.943 0.05 . 1 . . . . . 120 I QD1 . 50404 1 1037 . 1 . 1 120 120 ILE HD13 H 1 0.943 0.05 . 1 . . . . . 120 I QD1 . 50404 1 1038 . 1 . 1 120 120 ILE C C 13 177.593 0.1 . 1 . . . . . 120 I C . 50404 1 1039 . 1 . 1 120 120 ILE CA C 13 64.989 0.015 . 1 . . . . . 120 I CA . 50404 1 1040 . 1 . 1 120 120 ILE CB C 13 38.515 0.015 . 1 . . . . . 120 I CB . 50404 1 1041 . 1 . 1 120 120 ILE CG1 C 13 29.275 0.015 . 1 . . . . . 120 I CG1 . 50404 1 1042 . 1 . 1 120 120 ILE CG2 C 13 17.295 0.015 . 1 . . . . . 120 I CG2 . 50404 1 1043 . 1 . 1 120 120 ILE CD1 C 13 12.813 0.015 . 1 . . . . . 120 I CD1 . 50404 1 1044 . 1 . 1 120 120 ILE N N 15 119.298 0.05 . 1 . . . . . 120 I N . 50404 1 1045 . 1 . 1 121 121 LYS H H 1 7.817 0 . 1 . . . . . 121 K HN . 50404 1 1046 . 1 . 1 121 121 LYS HA H 1 4.09 0.05 . 1 . . . . . 121 K HA . 50404 1 1047 . 1 . 1 121 121 LYS HB2 H 1 1.928 0.05 . 1 . . . . . 121 K QB . 50404 1 1048 . 1 . 1 121 121 LYS HB3 H 1 1.928 0.05 . 1 . . . . . 121 K QB . 50404 1 1049 . 1 . 1 121 121 LYS C C 13 177.944 0.1 . 1 . . . . . 121 K C . 50404 1 1050 . 1 . 1 121 121 LYS CA C 13 58.634 0.015 . 1 . . . . . 121 K CA . 50404 1 1051 . 1 . 1 121 121 LYS CB C 13 32.943 0.015 . 1 . . . . . 121 K CB . 50404 1 1052 . 1 . 1 121 121 LYS CG C 13 25.399 0.015 . 1 . . . . . 121 K CG . 50404 1 1053 . 1 . 1 121 121 LYS CD C 13 29.366 0.015 . 1 . . . . . 121 K CD . 50404 1 1054 . 1 . 1 121 121 LYS CE C 13 42.173 0 . 1 . . . . . 121 K CE . 50404 1 1055 . 1 . 1 121 121 LYS N N 15 119.68 0.05 . 1 . . . . . 121 K N . 50404 1 1056 . 1 . 1 122 122 LYS H H 1 7.838 0 . 1 . . . . . 122 K HN . 50404 1 1057 . 1 . 1 122 122 LYS HA H 1 4.264 0.05 . 1 . . . . . 122 K HA . 50404 1 1058 . 1 . 1 122 122 LYS HB2 H 1 1.9 0.05 . 1 . . . . . 122 K QB . 50404 1 1059 . 1 . 1 122 122 LYS HB3 H 1 1.9 0.05 . 1 . . . . . 122 K QB . 50404 1 1060 . 1 . 1 122 122 LYS HE2 H 1 2.767 0 . 1 . . . . . 122 K QE . 50404 1 1061 . 1 . 1 122 122 LYS HE3 H 1 2.767 0 . 1 . . . . . 122 K QE . 50404 1 1062 . 1 . 1 122 122 LYS C C 13 177.251 0.1 . 1 . . . . . 122 K C . 50404 1 1063 . 1 . 1 122 122 LYS CA C 13 57.022 0.015 . 1 . . . . . 122 K CA . 50404 1 1064 . 1 . 1 122 122 LYS CB C 13 32.797 0.015 . 1 . . . . . 122 K CB . 50404 1 1065 . 1 . 1 122 122 LYS CG C 13 25.129 0.015 . 1 . . . . . 122 K CG . 50404 1 1066 . 1 . 1 122 122 LYS CD C 13 29.035 0.015 . 1 . . . . . 122 K CD . 50404 1 1067 . 1 . 1 122 122 LYS CE C 13 42.152 0 . 1 . . . . . 122 K CE . 50404 1 1068 . 1 . 1 122 122 LYS N N 15 117.821 0.05 . 1 . . . . . 122 K N . 50404 1 1069 . 1 . 1 123 123 ARG H H 1 7.856 0 . 1 . . . . . 123 R HN . 50404 1 1070 . 1 . 1 123 123 ARG HA H 1 4.313 0.05 . 1 . . . . . 123 R HA . 50404 1 1071 . 1 . 1 123 123 ARG HB2 H 1 1.956 0.05 . 1 . . . . . 123 R QB . 50404 1 1072 . 1 . 1 123 123 ARG HB3 H 1 1.956 0.05 . 1 . . . . . 123 R QB . 50404 1 1073 . 1 . 1 123 123 ARG HG2 H 1 1.736 0.05 . 1 . . . . . 123 R QG . 50404 1 1074 . 1 . 1 123 123 ARG HG3 H 1 1.736 0.05 . 1 . . . . . 123 R QG . 50404 1 1075 . 1 . 1 123 123 ARG HD2 H 1 3.248 0.05 . 1 . . . . . 123 R QD . 50404 1 1076 . 1 . 1 123 123 ARG HD3 H 1 3.248 0.05 . 1 . . . . . 123 R QD . 50404 1 1077 . 1 . 1 123 123 ARG C C 13 176.786 0.1 . 1 . . . . . 123 R C . 50404 1 1078 . 1 . 1 123 123 ARG CA C 13 56.721 0.015 . 1 . . . . . 123 R CA . 50404 1 1079 . 1 . 1 123 123 ARG CB C 13 30.65 0.015 . 1 . . . . . 123 R CB . 50404 1 1080 . 1 . 1 123 123 ARG CG C 13 27.002 0.015 . 1 . . . . . 123 R CG . 50404 1 1081 . 1 . 1 123 123 ARG CD C 13 43.219 0.015 . 1 . . . . . 123 R CD . 50404 1 1082 . 1 . 1 123 123 ARG N N 15 120.16 0.05 . 1 . . . . . 123 R N . 50404 1 1083 . 1 . 1 124 124 VAL H H 1 8.051 0 . 1 . . . . . 124 V HN . 50404 1 1084 . 1 . 1 124 124 VAL HA H 1 4.213 0.05 . 1 . . . . . 124 V HA . 50404 1 1085 . 1 . 1 124 124 VAL HB H 1 2.174 0.05 . 1 . . . . . 124 V HB . 50404 1 1086 . 1 . 1 124 124 VAL HG11 H 1 1.042 0 . 1 . . . . . 124 V QG1 . 50404 1 1087 . 1 . 1 124 124 VAL HG12 H 1 1.042 0 . 1 . . . . . 124 V QG1 . 50404 1 1088 . 1 . 1 124 124 VAL HG13 H 1 1.042 0 . 1 . . . . . 124 V QG1 . 50404 1 1089 . 1 . 1 124 124 VAL HG21 H 1 0.978 0 . 1 . . . . . 124 V QG2 . 50404 1 1090 . 1 . 1 124 124 VAL HG22 H 1 0.978 0 . 1 . . . . . 124 V QG2 . 50404 1 1091 . 1 . 1 124 124 VAL HG23 H 1 0.978 0 . 1 . . . . . 124 V QG2 . 50404 1 1092 . 1 . 1 124 124 VAL C C 13 176.198 0.1 . 1 . . . . . 124 V C . 50404 1 1093 . 1 . 1 124 124 VAL CA C 13 62.38 0.015 . 1 . . . . . 124 V CA . 50404 1 1094 . 1 . 1 124 124 VAL CB C 13 32.814 0.015 . 1 . . . . . 124 V CB . 50404 1 1095 . 1 . 1 124 124 VAL CG1 C 13 21.039 0.015 . 1 . . . . . 124 V CG1 . 50404 1 1096 . 1 . 1 124 124 VAL CG2 C 13 21.099 0.015 . 1 . . . . . 124 V CG2 . 50404 1 1097 . 1 . 1 124 124 VAL N N 15 118.635 0.05 . 1 . . . . . 124 V N . 50404 1 1098 . 1 . 1 125 125 GLU H H 1 8.267 0 . 1 . . . . . 125 E HN . 50404 1 1099 . 1 . 1 125 125 GLU HA H 1 4.36 0.05 . 1 . . . . . 125 E HA . 50404 1 1100 . 1 . 1 125 125 GLU HB2 H 1 2.073 0.05 . 1 . . . . . 125 E QB . 50404 1 1101 . 1 . 1 125 125 GLU HB3 H 1 2.073 0.05 . 1 . . . . . 125 E QB . 50404 1 1102 . 1 . 1 125 125 GLU HG2 H 1 2.322 0.05 . 1 . . . . . 125 E QG . 50404 1 1103 . 1 . 1 125 125 GLU HG3 H 1 2.322 0.05 . 1 . . . . . 125 E QG . 50404 1 1104 . 1 . 1 125 125 GLU C C 13 175.393 0.1 . 1 . . . . . 125 E C . 50404 1 1105 . 1 . 1 125 125 GLU CA C 13 56.687 0.015 . 1 . . . . . 125 E CA . 50404 1 1106 . 1 . 1 125 125 GLU CB C 13 30.376 0.015 . 1 . . . . . 125 E CB . 50404 1 1107 . 1 . 1 125 125 GLU CG C 13 36.314 0.015 . 1 . . . . . 125 E CG . 50404 1 1108 . 1 . 1 125 125 GLU N N 15 124.364 0.05 . 1 . . . . . 125 E N . 50404 1 1109 . 1 . 1 126 126 LYS H H 1 7.904 0 . 1 . . . . . 126 K HN . 50404 1 1110 . 1 . 1 126 126 LYS HA H 1 4.186 0.05 . 1 . . . . . 126 K HA . 50404 1 1111 . 1 . 1 126 126 LYS HB2 H 1 1.884 0.05 . 1 . . . . . 126 K QB . 50404 1 1112 . 1 . 1 126 126 LYS HB3 H 1 1.884 0.05 . 1 . . . . . 126 K QB . 50404 1 1113 . 1 . 1 126 126 LYS HG2 H 1 1.43 0.05 . 1 . . . . . 126 K QG . 50404 1 1114 . 1 . 1 126 126 LYS HG3 H 1 1.43 0.05 . 1 . . . . . 126 K QG . 50404 1 1115 . 1 . 1 126 126 LYS HD2 H 1 1.784 0.05 . 1 . . . . . 126 K QD . 50404 1 1116 . 1 . 1 126 126 LYS HD3 H 1 1.784 0.05 . 1 . . . . . 126 K QD . 50404 1 1117 . 1 . 1 126 126 LYS HE2 H 1 3.034 0 . 1 . . . . . 126 K QE . 50404 1 1118 . 1 . 1 126 126 LYS HE3 H 1 3.034 0 . 1 . . . . . 126 K QE . 50404 1 1119 . 1 . 1 126 126 LYS CA C 13 57.644 0.015 . 1 . . . . . 126 K CA . 50404 1 1120 . 1 . 1 126 126 LYS CB C 13 33.837 0.015 . 1 . . . . . 126 K CB . 50404 1 1121 . 1 . 1 126 126 LYS N N 15 127.17 0.05 . 1 . . . . . 126 K N . 50404 1 stop_ save_