################################### # 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 52726 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name gloACP _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 TROSY' . . . 52726 1 2 '3D HNCO' . . . 52726 1 3 '3D HNCA' . . . 52726 1 4 '3D H(CCO)NH' . . . 52726 1 5 '3D HNCACO' . . . 52726 1 6 '3D HNCACB' . . . 52726 1 7 (H)C(CO)NH . . . 52726 1 8 '2D 1H-13C HSQC' . . . 52726 1 9 '2D 1H-13C HSQC aromatic' . . . 52726 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 . . 52726 1 2 $software_2 . . 52726 1 4 $software_4 . . 52726 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 14 14 LEU HA H 1 4.435 0.025 . 1 . . . . . -6 L HA . 52726 1 2 . 1 . 1 14 14 LEU HB2 H 1 1.648 0.025 . 2 . . . . . -6 L HB2 . 52726 1 3 . 1 . 1 14 14 LEU HD11 H 1 0.947 0.025 . 2 . . . . . -6 L HD1# . 52726 1 4 . 1 . 1 14 14 LEU HD12 H 1 0.947 0.025 . 2 . . . . . -6 L HD1# . 52726 1 5 . 1 . 1 14 14 LEU HD13 H 1 0.947 0.025 . 2 . . . . . -6 L HD1# . 52726 1 6 . 1 . 1 14 14 LEU C C 13 177.147 0.200 . 1 . . . . . -6 L C . 52726 1 7 . 1 . 1 14 14 LEU CA C 13 55.099 0.200 . 1 . . . . . -6 L CA . 52726 1 8 . 1 . 1 14 14 LEU CB C 13 42.421 0.200 . 1 . . . . . -6 L CB . 52726 1 9 . 1 . 1 14 14 LEU CG C 13 26.881 0.200 . 1 . . . . . -6 L CG . 52726 1 10 . 1 . 1 14 14 LEU CD1 C 13 23.594 0.200 . 2 . . . . . -6 L CD1 . 52726 1 11 . 1 . 1 14 14 LEU CD2 C 13 24.831 0.200 . 2 . . . . . -6 L CD2 . 52726 1 12 . 1 . 1 15 15 VAL H H 1 8.161 0.025 . 1 . . . . . -5 V HN . 52726 1 13 . 1 . 1 15 15 VAL C C 13 174.388 0.200 . 1 . . . . . -5 V C . 52726 1 14 . 1 . 1 15 15 VAL CA C 13 60.103 0.200 . 1 . . . . . -5 V CA . 52726 1 15 . 1 . 1 15 15 VAL CB C 13 32.745 0.200 . 1 . . . . . -5 V CB . 52726 1 16 . 1 . 1 15 15 VAL N N 15 122.376 0.300 . 1 . . . . . -5 V N . 52726 1 17 . 1 . 1 16 16 PRO HA H 1 4.493 0.025 . 1 . . . . . -4 P HA . 52726 1 18 . 1 . 1 16 16 PRO HB2 H 1 2.357 0.025 . 2 . . . . . -4 P HB1 . 52726 1 19 . 1 . 1 16 16 PRO HB3 H 1 1.981 0.025 . 2 . . . . . -4 P HB2 . 52726 1 20 . 1 . 1 16 16 PRO HG2 H 1 2.115 0.025 . 2 . . . . . -4 P HG# . 52726 1 21 . 1 . 1 16 16 PRO HG3 H 1 2.115 0.025 . 2 . . . . . -4 P HG# . 52726 1 22 . 1 . 1 16 16 PRO HD2 H 1 3.970 0.025 . 2 . . . . . -4 P HD1 . 52726 1 23 . 1 . 1 16 16 PRO HD3 H 1 3.759 0.025 . 2 . . . . . -4 P HD2 . 52726 1 24 . 1 . 1 16 16 PRO CA C 13 63.070 0.200 . 1 . . . . . -4 P CA . 52726 1 25 . 1 . 1 16 16 PRO CB C 13 32.111 0.200 . 1 . . . . . -4 P CB . 52726 1 26 . 1 . 1 16 16 PRO CG C 13 27.467 0.200 . 1 . . . . . -4 P CG . 52726 1 27 . 1 . 1 16 16 PRO CD C 13 51.130 0.200 . 1 . . . . . -4 P CD . 52726 1 28 . 1 . 1 17 17 ARG H H 1 8.564 0.025 . 1 . . . . . -3 R HN . 52726 1 29 . 1 . 1 17 17 ARG N N 15 121.727 0.300 . 1 . . . . . -3 R N . 52726 1 30 . 1 . 1 21 21 MET HA H 1 4.379 0.025 . 1 . . . . . 1 M HA . 52726 1 31 . 1 . 1 21 21 MET HB2 H 1 2.264 0.025 . 2 . . . . . 1 M HB2 . 52726 1 32 . 1 . 1 21 21 MET HG2 H 1 2.598 0.025 . 2 . . . . . 1 M HG1 . 52726 1 33 . 1 . 1 21 21 MET HG3 H 1 2.687 0.025 . 2 . . . . . 1 M HG2 . 52726 1 34 . 1 . 1 21 21 MET CA C 13 58.394 0.200 . 1 . . . . . 1 M CA . 52726 1 35 . 1 . 1 21 21 MET CB C 13 31.934 0.200 . 1 . . . . . 1 M CB . 52726 1 36 . 1 . 1 22 22 VAL H H 1 8.252 0.025 . 1 . . . . . 2 V HN . 52726 1 37 . 1 . 1 22 22 VAL HA H 1 3.876 0.025 . 1 . . . . . 2 V HA . 52726 1 38 . 1 . 1 22 22 VAL HB H 1 2.098 0.025 . 1 . . . . . 2 V HB . 52726 1 39 . 1 . 1 22 22 VAL HG11 H 1 0.988 0.025 . 2 . . . . . 2 V HG1# . 52726 1 40 . 1 . 1 22 22 VAL HG12 H 1 0.988 0.025 . 2 . . . . . 2 V HG1# . 52726 1 41 . 1 . 1 22 22 VAL HG13 H 1 0.988 0.025 . 2 . . . . . 2 V HG1# . 52726 1 42 . 1 . 1 22 22 VAL C C 13 177.237 0.200 . 1 . . . . . 2 V C . 52726 1 43 . 1 . 1 22 22 VAL CA C 13 66.449 0.200 . 1 . . . . . 2 V CA . 52726 1 44 . 1 . 1 22 22 VAL CB C 13 30.913 0.200 . 1 . . . . . 2 V CB . 52726 1 45 . 1 . 1 22 22 VAL CG1 C 13 22.165 0.200 . 2 . . . . . 2 V CG1 . 52726 1 46 . 1 . 1 22 22 VAL N N 15 120.974 0.300 . 1 . . . . . 2 V N . 52726 1 47 . 1 . 1 23 23 MET H H 1 8.417 0.025 . 1 . . . . . 3 M HN . 52726 1 48 . 1 . 1 23 23 MET HA H 1 4.412 0.025 . 1 . . . . . 3 M HA . 52726 1 49 . 1 . 1 23 23 MET HB2 H 1 2.188 0.025 . 2 . . . . . 3 M HB2 . 52726 1 50 . 1 . 1 23 23 MET HG2 H 1 2.622 0.025 . 2 . . . . . 3 M HG1 . 52726 1 51 . 1 . 1 23 23 MET HG3 H 1 2.927 0.025 . 2 . . . . . 3 M HG2 . 52726 1 52 . 1 . 1 23 23 MET C C 13 178.224 0.200 . 1 . . . . . 3 M C . 52726 1 53 . 1 . 1 23 23 MET CA C 13 57.496 0.200 . 1 . . . . . 3 M CA . 52726 1 54 . 1 . 1 23 23 MET CB C 13 30.488 0.200 . 1 . . . . . 3 M CB . 52726 1 55 . 1 . 1 23 23 MET CG C 13 33.203 0.200 . 1 . . . . . 3 M CG . 52726 1 56 . 1 . 1 23 23 MET N N 15 120.720 0.300 . 1 . . . . . 3 M N . 52726 1 57 . 1 . 1 24 24 ASP H H 1 8.265 0.025 . 1 . . . . . 4 D HN . 52726 1 58 . 1 . 1 24 24 ASP HA H 1 4.433 0.025 . 1 . . . . . 4 D HA . 52726 1 59 . 1 . 1 24 24 ASP HB2 H 1 2.839 0.025 . 2 . . . . . 4 D HB2 . 52726 1 60 . 1 . 1 24 24 ASP C C 13 178.192 0.200 . 1 . . . . . 4 D C . 52726 1 61 . 1 . 1 24 24 ASP CA C 13 57.692 0.200 . 1 . . . . . 4 D CA . 52726 1 62 . 1 . 1 24 24 ASP CB C 13 40.325 0.200 . 1 . . . . . 4 D CB . 52726 1 63 . 1 . 1 24 24 ASP N N 15 118.719 0.300 . 1 . . . . . 4 D N . 52726 1 64 . 1 . 1 25 25 ALA H H 1 7.638 0.025 . 1 . . . . . 5 A HN . 52726 1 65 . 1 . 1 25 25 ALA HA H 1 4.349 0.025 . 1 . . . . . 5 A HA . 52726 1 66 . 1 . 1 25 25 ALA HB1 H 1 1.791 0.025 . 1 . . . . . 5 A HB# . 52726 1 67 . 1 . 1 25 25 ALA HB2 H 1 1.791 0.025 . 1 . . . . . 5 A HB# . 52726 1 68 . 1 . 1 25 25 ALA HB3 H 1 1.791 0.025 . 1 . . . . . 5 A HB# . 52726 1 69 . 1 . 1 25 25 ALA C C 13 179.685 0.200 . 1 . . . . . 5 A C . 52726 1 70 . 1 . 1 25 25 ALA CA C 13 54.678 0.200 . 1 . . . . . 5 A CA . 52726 1 71 . 1 . 1 25 25 ALA CB C 13 19.320 0.200 . 1 . . . . . 5 A CB . 52726 1 72 . 1 . 1 25 25 ALA N N 15 121.142 0.300 . 1 . . . . . 5 A N . 52726 1 73 . 1 . 1 26 26 LEU H H 1 8.848 0.025 . 1 . . . . . 6 L HN . 52726 1 74 . 1 . 1 26 26 LEU HA H 1 4.102 0.025 . 1 . . . . . 6 L HA . 52726 1 75 . 1 . 1 26 26 LEU HB2 H 1 1.780 0.025 . 2 . . . . . 6 L HB1 . 52726 1 76 . 1 . 1 26 26 LEU HB3 H 1 1.921 0.025 . 2 . . . . . 6 L HB2 . 52726 1 77 . 1 . 1 26 26 LEU HD11 H 1 0.989 0.025 . 2 . . . . . 6 L HD1# . 52726 1 78 . 1 . 1 26 26 LEU HD12 H 1 0.989 0.025 . 2 . . . . . 6 L HD1# . 52726 1 79 . 1 . 1 26 26 LEU HD13 H 1 0.989 0.025 . 2 . . . . . 6 L HD1# . 52726 1 80 . 1 . 1 26 26 LEU C C 13 178.158 0.200 . 1 . . . . . 6 L C . 52726 1 81 . 1 . 1 26 26 LEU CA C 13 57.850 0.200 . 1 . . . . . 6 L CA . 52726 1 82 . 1 . 1 26 26 LEU CB C 13 41.912 0.200 . 1 . . . . . 6 L CB . 52726 1 83 . 1 . 1 26 26 LEU CG C 13 25.769 0.200 . 1 . . . . . 6 L CG . 52726 1 84 . 1 . 1 26 26 LEU N N 15 118.783 0.300 . 1 . . . . . 6 L N . 52726 1 85 . 1 . 1 27 27 LYS H H 1 8.749 0.025 . 1 . . . . . 7 K HN . 52726 1 86 . 1 . 1 27 27 LYS HA H 1 4.005 0.025 . 1 . . . . . 7 K HA . 52726 1 87 . 1 . 1 27 27 LYS HB2 H 1 1.997 0.025 . 2 . . . . . 7 K HB1 . 52726 1 88 . 1 . 1 27 27 LYS HB3 H 1 2.198 0.025 . 2 . . . . . 7 K HB2 . 52726 1 89 . 1 . 1 27 27 LYS HG2 H 1 1.527 0.025 . 2 . . . . . 7 K HG1 . 52726 1 90 . 1 . 1 27 27 LYS HG3 H 1 1.643 0.025 . 2 . . . . . 7 K HG2 . 52726 1 91 . 1 . 1 27 27 LYS HD2 H 1 1.827 0.025 . 2 . . . . . 7 K HD2 . 52726 1 92 . 1 . 1 27 27 LYS HE2 H 1 3.033 0.025 . 1 . . . . . 7 K HE2 . 52726 1 93 . 1 . 1 27 27 LYS C C 13 177.136 0.200 . 1 . . . . . 7 K C . 52726 1 94 . 1 . 1 27 27 LYS CA C 13 60.946 0.200 . 1 . . . . . 7 K CA . 52726 1 95 . 1 . 1 27 27 LYS CB C 13 31.363 0.200 . 1 . . . . . 7 K CB . 52726 1 96 . 1 . 1 27 27 LYS CG C 13 25.069 0.200 . 1 . . . . . 7 K CG . 52726 1 97 . 1 . 1 27 27 LYS CD C 13 29.408 0.200 . 1 . . . . . 7 K CD . 52726 1 98 . 1 . 1 27 27 LYS CE C 13 42.076 0.200 . 1 . . . . . 7 K CE . 52726 1 99 . 1 . 1 27 27 LYS N N 15 119.457 0.300 . 1 . . . . . 7 K N . 52726 1 100 . 1 . 1 28 28 ASP H H 1 7.656 0.025 . 1 . . . . . 8 D HN . 52726 1 101 . 1 . 1 28 28 ASP HA H 1 4.387 0.025 . 1 . . . . . 8 D HA . 52726 1 102 . 1 . 1 28 28 ASP HB2 H 1 2.823 0.025 . 2 . . . . . 8 D HB1 . 52726 1 103 . 1 . 1 28 28 ASP HB3 H 1 2.983 0.025 . 2 . . . . . 8 D HB2 . 52726 1 104 . 1 . 1 28 28 ASP C C 13 178.891 0.200 . 1 . . . . . 8 D C . 52726 1 105 . 1 . 1 28 28 ASP CA C 13 57.703 0.200 . 1 . . . . . 8 D CA . 52726 1 106 . 1 . 1 28 28 ASP CB C 13 40.378 0.200 . 1 . . . . . 8 D CB . 52726 1 107 . 1 . 1 28 28 ASP N N 15 118.244 0.300 . 1 . . . . . 8 D N . 52726 1 108 . 1 . 1 29 29 ILE H H 1 8.187 0.025 . 1 . . . . . 9 I HN . 52726 1 109 . 1 . 1 29 29 ILE HA H 1 3.815 0.025 . 1 . . . . . 9 I HA . 52726 1 110 . 1 . 1 29 29 ILE HB H 1 2.029 0.025 . 1 . . . . . 9 I HB . 52726 1 111 . 1 . 1 29 29 ILE HG21 H 1 0.879 0.025 . 1 . . . . . 9 I HG2# . 52726 1 112 . 1 . 1 29 29 ILE HG22 H 1 0.879 0.025 . 1 . . . . . 9 I HG2# . 52726 1 113 . 1 . 1 29 29 ILE HG23 H 1 0.879 0.025 . 1 . . . . . 9 I HG2# . 52726 1 114 . 1 . 1 29 29 ILE HD11 H 1 1.027 0.025 . 1 . . . . . 9 I HD1# . 52726 1 115 . 1 . 1 29 29 ILE HD12 H 1 1.027 0.025 . 1 . . . . . 9 I HD1# . 52726 1 116 . 1 . 1 29 29 ILE HD13 H 1 1.027 0.025 . 1 . . . . . 9 I HD1# . 52726 1 117 . 1 . 1 29 29 ILE C C 13 178.368 0.200 . 1 . . . . . 9 I C . 52726 1 118 . 1 . 1 29 29 ILE CA C 13 64.934 0.200 . 1 . . . . . 9 I CA . 52726 1 119 . 1 . 1 29 29 ILE CB C 13 39.092 0.200 . 1 . . . . . 9 I CB . 52726 1 120 . 1 . 1 29 29 ILE CG1 C 13 29.360 0.200 . 1 . . . . . 9 I CG1 . 52726 1 121 . 1 . 1 29 29 ILE CG2 C 13 17.913 0.200 . 1 . . . . . 9 I CG2 . 52726 1 122 . 1 . 1 29 29 ILE CD1 C 13 13.997 0.200 . 1 . . . . . 9 I CD1 . 52726 1 123 . 1 . 1 29 29 ILE N N 15 119.853 0.300 . 1 . . . . . 9 I N . 52726 1 124 . 1 . 1 30 30 LEU H H 1 8.702 0.025 . 1 . . . . . 10 L HN . 52726 1 125 . 1 . 1 30 30 LEU HA H 1 4.100 0.025 . 1 . . . . . 10 L HA . 52726 1 126 . 1 . 1 30 30 LEU HB2 H 1 2.048 0.025 . 2 . . . . . 10 L HB1 . 52726 1 127 . 1 . 1 30 30 LEU HB3 H 1 2.150 0.025 . 2 . . . . . 10 L HB2 . 52726 1 128 . 1 . 1 30 30 LEU HG H 1 1.988 0.025 . 1 . . . . . 10 L HG . 52726 1 129 . 1 . 1 30 30 LEU HD11 H 1 0.903 0.025 . 2 . . . . . 10 L HD1# . 52726 1 130 . 1 . 1 30 30 LEU HD12 H 1 0.903 0.025 . 2 . . . . . 10 L HD1# . 52726 1 131 . 1 . 1 30 30 LEU HD13 H 1 0.903 0.025 . 2 . . . . . 10 L HD1# . 52726 1 132 . 1 . 1 30 30 LEU HD21 H 1 0.830 0.025 . 2 . . . . . 10 L HD2# . 52726 1 133 . 1 . 1 30 30 LEU HD22 H 1 0.830 0.025 . 2 . . . . . 10 L HD2# . 52726 1 134 . 1 . 1 30 30 LEU HD23 H 1 0.830 0.025 . 2 . . . . . 10 L HD2# . 52726 1 135 . 1 . 1 30 30 LEU C C 13 179.424 0.200 . 1 . . . . . 10 L C . 52726 1 136 . 1 . 1 30 30 LEU CA C 13 58.307 0.200 . 1 . . . . . 10 L CA . 52726 1 137 . 1 . 1 30 30 LEU CB C 13 41.134 0.200 . 1 . . . . . 10 L CB . 52726 1 138 . 1 . 1 30 30 LEU CG C 13 27.524 0.200 . 1 . . . . . 10 L CG . 52726 1 139 . 1 . 1 30 30 LEU CD1 C 13 23.996 0.200 . 2 . . . . . 10 L CD1 . 52726 1 140 . 1 . 1 30 30 LEU CD2 C 13 21.889 0.200 . 2 . . . . . 10 L CD2 . 52726 1 141 . 1 . 1 30 30 LEU N N 15 119.536 0.300 . 1 . . . . . 10 L N . 52726 1 142 . 1 . 1 31 31 VAL H H 1 8.933 0.025 . 1 . . . . . 11 V HN . 52726 1 143 . 1 . 1 31 31 VAL HA H 1 4.291 0.025 . 1 . . . . . 11 V HA . 52726 1 144 . 1 . 1 31 31 VAL HB H 1 2.321 0.025 . 1 . . . . . 11 V HB . 52726 1 145 . 1 . 1 31 31 VAL HG11 H 1 1.174 0.025 . 2 . . . . . 11 V HG1# . 52726 1 146 . 1 . 1 31 31 VAL HG12 H 1 1.174 0.025 . 2 . . . . . 11 V HG1# . 52726 1 147 . 1 . 1 31 31 VAL HG13 H 1 1.174 0.025 . 2 . . . . . 11 V HG1# . 52726 1 148 . 1 . 1 31 31 VAL HG21 H 1 1.084 0.025 . 2 . . . . . 11 V HG2# . 52726 1 149 . 1 . 1 31 31 VAL HG22 H 1 1.084 0.025 . 2 . . . . . 11 V HG2# . 52726 1 150 . 1 . 1 31 31 VAL HG23 H 1 1.084 0.025 . 2 . . . . . 11 V HG2# . 52726 1 151 . 1 . 1 31 31 VAL C C 13 181.709 0.200 . 1 . . . . . 11 V C . 52726 1 152 . 1 . 1 31 31 VAL CA C 13 66.380 0.200 . 1 . . . . . 11 V CA . 52726 1 153 . 1 . 1 31 31 VAL CB C 13 31.465 0.200 . 1 . . . . . 11 V CB . 52726 1 154 . 1 . 1 31 31 VAL CG1 C 13 23.266 0.200 . 2 . . . . . 11 V CG1 . 52726 1 155 . 1 . 1 31 31 VAL CG2 C 13 21.283 0.200 . 2 . . . . . 11 V CG2 . 52726 1 156 . 1 . 1 31 31 VAL N N 15 121.735 0.300 . 1 . . . . . 11 V N . 52726 1 157 . 1 . 1 32 32 ASP H H 1 7.825 0.025 . 1 . . . . . 12 D HN . 52726 1 158 . 1 . 1 32 32 ASP HA H 1 4.605 0.025 . 1 . . . . . 12 D HA . 52726 1 159 . 1 . 1 32 32 ASP HB2 H 1 2.817 0.025 . 2 . . . . . 12 D HB1 . 52726 1 160 . 1 . 1 32 32 ASP HB3 H 1 2.967 0.025 . 2 . . . . . 12 D HB2 . 52726 1 161 . 1 . 1 32 32 ASP C C 13 177.974 0.200 . 1 . . . . . 12 D C . 52726 1 162 . 1 . 1 32 32 ASP CA C 13 57.224 0.200 . 1 . . . . . 12 D CA . 52726 1 163 . 1 . 1 32 32 ASP CB C 13 40.546 0.200 . 1 . . . . . 12 D CB . 52726 1 164 . 1 . 1 32 32 ASP N N 15 122.742 0.300 . 1 . . . . . 12 D N . 52726 1 165 . 1 . 1 33 33 LEU H H 1 7.657 0.025 . 1 . . . . . 13 L HN . 52726 1 166 . 1 . 1 33 33 LEU HA H 1 4.441 0.025 . 1 . . . . . 13 L HA . 52726 1 167 . 1 . 1 33 33 LEU HB2 H 1 1.829 0.025 . 2 . . . . . 13 L HB1 . 52726 1 168 . 1 . 1 33 33 LEU HB3 H 1 2.091 0.025 . 2 . . . . . 13 L HB2 . 52726 1 169 . 1 . 1 33 33 LEU HD11 H 1 1.040 0.025 . 2 . . . . . 13 L HD1# . 52726 1 170 . 1 . 1 33 33 LEU HD12 H 1 1.040 0.025 . 2 . . . . . 13 L HD1# . 52726 1 171 . 1 . 1 33 33 LEU HD13 H 1 1.040 0.025 . 2 . . . . . 13 L HD1# . 52726 1 172 . 1 . 1 33 33 LEU HD21 H 1 0.949 0.025 . 2 . . . . . 13 L HD2# . 52726 1 173 . 1 . 1 33 33 LEU HD22 H 1 0.949 0.025 . 2 . . . . . 13 L HD2# . 52726 1 174 . 1 . 1 33 33 LEU HD23 H 1 0.949 0.025 . 2 . . . . . 13 L HD2# . 52726 1 175 . 1 . 1 33 33 LEU C C 13 177.329 0.200 . 1 . . . . . 13 L C . 52726 1 176 . 1 . 1 33 33 LEU CA C 13 55.438 0.200 . 1 . . . . . 13 L CA . 52726 1 177 . 1 . 1 33 33 LEU CB C 13 42.516 0.200 . 1 . . . . . 13 L CB . 52726 1 178 . 1 . 1 33 33 LEU CG C 13 26.159 0.200 . 1 . . . . . 13 L CG . 52726 1 179 . 1 . 1 33 33 LEU CD1 C 13 23.440 0.200 . 2 . . . . . 13 L CD1 . 52726 1 180 . 1 . 1 33 33 LEU CD2 C 13 21.440 0.200 . 2 . . . . . 13 L CD2 . 52726 1 181 . 1 . 1 33 33 LEU N N 15 118.804 0.300 . 1 . . . . . 13 L N . 52726 1 182 . 1 . 1 34 34 GLY H H 1 8.028 0.025 . 1 . . . . . 14 G HN . 52726 1 183 . 1 . 1 34 34 GLY HA2 H 1 3.776 0.025 . 2 . . . . . 14 G HA1 . 52726 1 184 . 1 . 1 34 34 GLY HA3 H 1 4.423 0.025 . 2 . . . . . 14 G HA2 . 52726 1 185 . 1 . 1 34 34 GLY C C 13 174.433 0.200 . 1 . . . . . 14 G C . 52726 1 186 . 1 . 1 34 34 GLY CA C 13 45.149 0.200 . 1 . . . . . 14 G CA . 52726 1 187 . 1 . 1 34 34 GLY N N 15 106.763 0.300 . 1 . . . . . 14 G N . 52726 1 188 . 1 . 1 35 35 ILE H H 1 7.985 0.025 . 1 . . . . . 15 I HN . 52726 1 189 . 1 . 1 35 35 ILE HA H 1 4.270 0.025 . 1 . . . . . 15 I HA . 52726 1 190 . 1 . 1 35 35 ILE HB H 1 1.787 0.025 . 1 . . . . . 15 I HB . 52726 1 191 . 1 . 1 35 35 ILE HG21 H 1 0.962 0.025 . 1 . . . . . 15 I HG2# . 52726 1 192 . 1 . 1 35 35 ILE HG22 H 1 0.962 0.025 . 1 . . . . . 15 I HG2# . 52726 1 193 . 1 . 1 35 35 ILE HG23 H 1 0.962 0.025 . 1 . . . . . 15 I HG2# . 52726 1 194 . 1 . 1 35 35 ILE HD11 H 1 0.962 0.025 . 1 . . . . . 15 I HD1# . 52726 1 195 . 1 . 1 35 35 ILE HD12 H 1 0.962 0.025 . 1 . . . . . 15 I HD1# . 52726 1 196 . 1 . 1 35 35 ILE HD13 H 1 0.962 0.025 . 1 . . . . . 15 I HD1# . 52726 1 197 . 1 . 1 35 35 ILE CA C 13 57.466 0.200 . 1 . . . . . 15 I CA . 52726 1 198 . 1 . 1 35 35 ILE CB C 13 37.266 0.200 . 1 . . . . . 15 I CB . 52726 1 199 . 1 . 1 35 35 ILE N N 15 124.798 0.300 . 1 . . . . . 15 I N . 52726 1 200 . 1 . 1 36 36 PRO HA H 1 4.455 0.025 . 1 . . . . . 16 P HA . 52726 1 201 . 1 . 1 36 36 PRO HB2 H 1 1.894 0.025 . 2 . . . . . 16 P HB1 . 52726 1 202 . 1 . 1 36 36 PRO HB3 H 1 2.496 0.025 . 2 . . . . . 16 P HB2 . 52726 1 203 . 1 . 1 36 36 PRO HG2 H 1 2.058 0.025 . 2 . . . . . 16 P HG1 . 52726 1 204 . 1 . 1 36 36 PRO HG3 H 1 2.176 0.025 . 2 . . . . . 16 P HG2 . 52726 1 205 . 1 . 1 36 36 PRO HD2 H 1 3.616 0.025 . 2 . . . . . 16 P HD2 . 52726 1 206 . 1 . 1 36 36 PRO C C 13 178.531 0.200 . 1 . . . . . 16 P C . 52726 1 207 . 1 . 1 36 36 PRO CA C 13 63.031 0.200 . 1 . . . . . 16 P CA . 52726 1 208 . 1 . 1 36 36 PRO CB C 13 32.665 0.200 . 1 . . . . . 16 P CB . 52726 1 209 . 1 . 1 36 36 PRO CG C 13 28.095 0.200 . 1 . . . . . 16 P CG . 52726 1 210 . 1 . 1 36 36 PRO CD C 13 51.420 0.200 . 1 . . . . . 16 P CD . 52726 1 211 . 1 . 1 37 37 GLU H H 1 8.865 0.025 . 1 . . . . . 17 E HN . 52726 1 212 . 1 . 1 37 37 GLU HA H 1 3.823 0.025 . 1 . . . . . 17 E HA . 52726 1 213 . 1 . 1 37 37 GLU HB2 H 1 2.078 0.025 . 2 . . . . . 17 E HB1 . 52726 1 214 . 1 . 1 37 37 GLU HB3 H 1 2.156 0.025 . 2 . . . . . 17 E HB2 . 52726 1 215 . 1 . 1 37 37 GLU HG2 H 1 2.302 0.025 . 2 . . . . . 17 E HG2 . 52726 1 216 . 1 . 1 37 37 GLU C C 13 178.842 0.200 . 1 . . . . . 17 E C . 52726 1 217 . 1 . 1 37 37 GLU CA C 13 60.185 0.200 . 1 . . . . . 17 E CA . 52726 1 218 . 1 . 1 37 37 GLU CB C 13 29.671 0.200 . 1 . . . . . 17 E CB . 52726 1 219 . 1 . 1 37 37 GLU CG C 13 36.477 0.200 . 1 . . . . . 17 E CG . 52726 1 220 . 1 . 1 37 37 GLU N N 15 123.800 0.300 . 1 . . . . . 17 E N . 52726 1 221 . 1 . 1 38 38 GLN H H 1 8.990 0.025 . 1 . . . . . 18 Q HN . 52726 1 222 . 1 . 1 38 38 GLN HA H 1 4.191 0.025 . 1 . . . . . 18 Q HA . 52726 1 223 . 1 . 1 38 38 GLN HB2 H 1 2.175 0.025 . 2 . . . . . 18 Q HB2 . 52726 1 224 . 1 . 1 38 38 GLN HG2 H 1 2.456 0.025 . 2 . . . . . 18 Q HG1 . 52726 1 225 . 1 . 1 38 38 GLN HG3 H 1 2.537 0.025 . 2 . . . . . 18 Q HG2 . 52726 1 226 . 1 . 1 38 38 GLN C C 13 176.837 0.200 . 1 . . . . . 18 Q C . 52726 1 227 . 1 . 1 38 38 GLN CA C 13 57.870 0.200 . 1 . . . . . 18 Q CA . 52726 1 228 . 1 . 1 38 38 GLN CB C 13 27.885 0.200 . 1 . . . . . 18 Q CB . 52726 1 229 . 1 . 1 38 38 GLN CG C 13 33.623 0.200 . 1 . . . . . 18 Q CG . 52726 1 230 . 1 . 1 38 38 GLN N N 15 115.632 0.300 . 1 . . . . . 18 Q N . 52726 1 231 . 1 . 1 39 39 GLU H H 1 7.795 0.025 . 1 . . . . . 19 E HN . 52726 1 232 . 1 . 1 39 39 GLU HA H 1 4.337 0.025 . 1 . . . . . 19 E HA . 52726 1 233 . 1 . 1 39 39 GLU HB2 H 1 2.266 0.025 . 2 . . . . . 19 E HB1 . 52726 1 234 . 1 . 1 39 39 GLU HB3 H 1 1.836 0.025 . 2 . . . . . 19 E HB2 . 52726 1 235 . 1 . 1 39 39 GLU HG2 H 1 2.214 0.025 . 2 . . . . . 19 E HG1 . 52726 1 236 . 1 . 1 39 39 GLU HG3 H 1 2.337 0.025 . 2 . . . . . 19 E HG2 . 52726 1 237 . 1 . 1 39 39 GLU C C 13 175.800 0.200 . 1 . . . . . 19 E C . 52726 1 238 . 1 . 1 39 39 GLU CA C 13 55.904 0.200 . 1 . . . . . 19 E CA . 52726 1 239 . 1 . 1 39 39 GLU CB C 13 29.603 0.200 . 1 . . . . . 19 E CB . 52726 1 240 . 1 . 1 39 39 GLU CG C 13 36.536 0.200 . 1 . . . . . 19 E CG . 52726 1 241 . 1 . 1 39 39 GLU N N 15 116.252 0.300 . 1 . . . . . 19 E N . 52726 1 242 . 1 . 1 40 40 ILE H H 1 7.452 0.025 . 1 . . . . . 20 I HN . 52726 1 243 . 1 . 1 40 40 ILE HA H 1 3.680 0.025 . 1 . . . . . 20 I HA . 52726 1 244 . 1 . 1 40 40 ILE HB H 1 2.075 0.025 . 1 . . . . . 20 I HB . 52726 1 245 . 1 . 1 40 40 ILE HG12 H 1 1.909 0.025 . 2 . . . . . 20 I HG11 . 52726 1 246 . 1 . 1 40 40 ILE HG13 H 1 0.982 0.025 . 2 . . . . . 20 I HG12 . 52726 1 247 . 1 . 1 40 40 ILE HG21 H 1 0.761 0.025 . 1 . . . . . 20 I HG2# . 52726 1 248 . 1 . 1 40 40 ILE HG22 H 1 0.761 0.025 . 1 . . . . . 20 I HG2# . 52726 1 249 . 1 . 1 40 40 ILE HG23 H 1 0.761 0.025 . 1 . . . . . 20 I HG2# . 52726 1 250 . 1 . 1 40 40 ILE HD11 H 1 0.624 0.025 . 1 . . . . . 20 I HD1# . 52726 1 251 . 1 . 1 40 40 ILE HD12 H 1 0.624 0.025 . 1 . . . . . 20 I HD1# . 52726 1 252 . 1 . 1 40 40 ILE HD13 H 1 0.624 0.025 . 1 . . . . . 20 I HD1# . 52726 1 253 . 1 . 1 40 40 ILE C C 13 173.576 0.200 . 1 . . . . . 20 I C . 52726 1 254 . 1 . 1 40 40 ILE CA C 13 62.313 0.200 . 1 . . . . . 20 I CA . 52726 1 255 . 1 . 1 40 40 ILE CB C 13 36.728 0.200 . 1 . . . . . 20 I CB . 52726 1 256 . 1 . 1 40 40 ILE CG1 C 13 27.565 0.200 . 1 . . . . . 20 I CG1 . 52726 1 257 . 1 . 1 40 40 ILE CG2 C 13 17.845 0.200 . 1 . . . . . 20 I CG2 . 52726 1 258 . 1 . 1 40 40 ILE CD1 C 13 16.667 0.200 . 1 . . . . . 20 I CD1 . 52726 1 259 . 1 . 1 40 40 ILE N N 15 119.697 0.300 . 1 . . . . . 20 I N . 52726 1 260 . 1 . 1 41 41 THR H H 1 7.040 0.025 . 1 . . . . . 21 T HN . 52726 1 261 . 1 . 1 41 41 THR HA H 1 4.775 0.025 . 1 . . . . . 21 T HA . 52726 1 262 . 1 . 1 41 41 THR HB H 1 4.449 0.025 . 1 . . . . . 21 T HB . 52726 1 263 . 1 . 1 41 41 THR HG21 H 1 1.395 0.025 . 1 . . . . . 21 T HG2# . 52726 1 264 . 1 . 1 41 41 THR HG22 H 1 1.395 0.025 . 1 . . . . . 21 T HG2# . 52726 1 265 . 1 . 1 41 41 THR HG23 H 1 1.395 0.025 . 1 . . . . . 21 T HG2# . 52726 1 266 . 1 . 1 41 41 THR C C 13 174.776 0.200 . 1 . . . . . 21 T C . 52726 1 267 . 1 . 1 41 41 THR CB C 13 71.162 0.200 . 1 . . . . . 21 T CB . 52726 1 268 . 1 . 1 41 41 THR CG2 C 13 20.843 0.200 . 1 . . . . . 21 T CG2 . 52726 1 269 . 1 . 1 41 41 THR N N 15 117.705 0.300 . 1 . . . . . 21 T N . 52726 1 270 . 1 . 1 42 42 GLU H H 1 9.164 0.025 . 1 . . . . . 22 E HN . 52726 1 271 . 1 . 1 42 42 GLU HA H 1 4.022 0.025 . 1 . . . . . 22 E HA . 52726 1 272 . 1 . 1 42 42 GLU HB2 H 1 2.198 0.025 . 2 . . . . . 22 E HB2 . 52726 1 273 . 1 . 1 42 42 GLU HG2 H 1 2.476 0.025 . 2 . . . . . 22 E HG2 . 52726 1 274 . 1 . 1 42 42 GLU C C 13 176.324 0.200 . 1 . . . . . 22 E C . 52726 1 275 . 1 . 1 42 42 GLU CA C 13 60.188 0.200 . 1 . . . . . 22 E CA . 52726 1 276 . 1 . 1 42 42 GLU CB C 13 32.607 0.200 . 1 . . . . . 22 E CB . 52726 1 277 . 1 . 1 42 42 GLU CG C 13 36.907 0.200 . 1 . . . . . 22 E CG . 52726 1 278 . 1 . 1 42 42 GLU N N 15 119.658 0.300 . 1 . . . . . 22 E N . 52726 1 279 . 1 . 1 43 43 THR H H 1 7.439 0.025 . 1 . . . . . 23 T HN . 52726 1 280 . 1 . 1 43 43 THR HA H 1 4.345 0.025 . 1 . . . . . 23 T HA . 52726 1 281 . 1 . 1 43 43 THR HB H 1 4.619 0.025 . 1 . . . . . 23 T HB . 52726 1 282 . 1 . 1 43 43 THR HG21 H 1 1.331 0.025 . 1 . . . . . 23 T HG2# . 52726 1 283 . 1 . 1 43 43 THR HG22 H 1 1.331 0.025 . 1 . . . . . 23 T HG2# . 52726 1 284 . 1 . 1 43 43 THR HG23 H 1 1.331 0.025 . 1 . . . . . 23 T HG2# . 52726 1 285 . 1 . 1 43 43 THR C C 13 173.894 0.200 . 1 . . . . . 23 T C . 52726 1 286 . 1 . 1 43 43 THR CA C 13 61.206 0.200 . 1 . . . . . 23 T CA . 52726 1 287 . 1 . 1 43 43 THR CB C 13 68.790 0.200 . 1 . . . . . 23 T CB . 52726 1 288 . 1 . 1 43 43 THR CG2 C 13 22.135 0.200 . 1 . . . . . 23 T CG2 . 52726 1 289 . 1 . 1 43 43 THR N N 15 103.085 0.300 . 1 . . . . . 23 T N . 52726 1 290 . 1 . 1 44 44 ALA H H 1 7.524 0.025 . 1 . . . . . 24 A HN . 52726 1 291 . 1 . 1 44 44 ALA HA H 1 4.345 0.025 . 1 . . . . . 24 A HA . 52726 1 292 . 1 . 1 44 44 ALA HB1 H 1 1.548 0.025 . 1 . . . . . 24 A HB# . 52726 1 293 . 1 . 1 44 44 ALA HB2 H 1 1.548 0.025 . 1 . . . . . 24 A HB# . 52726 1 294 . 1 . 1 44 44 ALA HB3 H 1 1.548 0.025 . 1 . . . . . 24 A HB# . 52726 1 295 . 1 . 1 44 44 ALA C C 13 176.988 0.200 . 1 . . . . . 24 A C . 52726 1 296 . 1 . 1 44 44 ALA CA C 13 52.934 0.200 . 1 . . . . . 24 A CA . 52726 1 297 . 1 . 1 44 44 ALA CB C 13 18.480 0.200 . 1 . . . . . 24 A CB . 52726 1 298 . 1 . 1 44 44 ALA N N 15 126.414 0.300 . 1 . . . . . 24 A N . 52726 1 299 . 1 . 1 45 45 LEU H H 1 9.775 0.025 . 1 . . . . . 25 L HN . 52726 1 300 . 1 . 1 45 45 LEU HA H 1 4.671 0.025 . 1 . . . . . 25 L HA . 52726 1 301 . 1 . 1 45 45 LEU HB2 H 1 1.694 0.025 . 2 . . . . . 25 L HB2 . 52726 1 302 . 1 . 1 45 45 LEU HG H 1 1.784 0.025 . 1 . . . . . 25 L HG . 52726 1 303 . 1 . 1 45 45 LEU HD11 H 1 1.055 0.025 . 2 . . . . . 25 L HD1# . 52726 1 304 . 1 . 1 45 45 LEU HD12 H 1 1.055 0.025 . 2 . . . . . 25 L HD1# . 52726 1 305 . 1 . 1 45 45 LEU HD13 H 1 1.055 0.025 . 2 . . . . . 25 L HD1# . 52726 1 306 . 1 . 1 45 45 LEU HD21 H 1 0.774 0.025 . 2 . . . . . 25 L HD2# . 52726 1 307 . 1 . 1 45 45 LEU HD22 H 1 0.774 0.025 . 2 . . . . . 25 L HD2# . 52726 1 308 . 1 . 1 45 45 LEU HD23 H 1 0.774 0.025 . 2 . . . . . 25 L HD2# . 52726 1 309 . 1 . 1 45 45 LEU C C 13 178.566 0.200 . 1 . . . . . 25 L C . 52726 1 310 . 1 . 1 45 45 LEU CA C 13 54.456 0.200 . 1 . . . . . 25 L CA . 52726 1 311 . 1 . 1 45 45 LEU CB C 13 42.187 0.200 . 1 . . . . . 25 L CB . 52726 1 312 . 1 . 1 45 45 LEU CG C 13 26.696 0.200 . 1 . . . . . 25 L CG . 52726 1 313 . 1 . 1 45 45 LEU CD2 C 13 23.782 0.200 . 2 . . . . . 25 L CD2 . 52726 1 314 . 1 . 1 45 45 LEU N N 15 123.825 0.300 . 1 . . . . . 25 L N . 52726 1 315 . 1 . 1 46 46 LEU H H 1 8.842 0.025 . 1 . . . . . 26 L HN . 52726 1 316 . 1 . 1 46 46 LEU HA H 1 3.892 0.025 . 1 . . . . . 26 L HA . 52726 1 317 . 1 . 1 46 46 LEU HB2 H 1 1.535 0.025 . 2 . . . . . 26 L HB1 . 52726 1 318 . 1 . 1 46 46 LEU HB3 H 1 2.122 0.025 . 2 . . . . . 26 L HB2 . 52726 1 319 . 1 . 1 46 46 LEU HG H 1 1.997 0.025 . 1 . . . . . 26 L HG . 52726 1 320 . 1 . 1 46 46 LEU HD11 H 1 0.968 0.025 . 2 . . . . . 26 L HD1# . 52726 1 321 . 1 . 1 46 46 LEU HD12 H 1 0.968 0.025 . 2 . . . . . 26 L HD1# . 52726 1 322 . 1 . 1 46 46 LEU HD13 H 1 0.968 0.025 . 2 . . . . . 26 L HD1# . 52726 1 323 . 1 . 1 46 46 LEU HD21 H 1 0.835 0.025 . 2 . . . . . 26 L HD2# . 52726 1 324 . 1 . 1 46 46 LEU HD22 H 1 0.835 0.025 . 2 . . . . . 26 L HD2# . 52726 1 325 . 1 . 1 46 46 LEU HD23 H 1 0.835 0.025 . 2 . . . . . 26 L HD2# . 52726 1 326 . 1 . 1 46 46 LEU C C 13 176.139 0.200 . 1 . . . . . 26 L C . 52726 1 327 . 1 . 1 46 46 LEU CA C 13 59.027 0.200 . 1 . . . . . 26 L CA . 52726 1 328 . 1 . 1 46 46 LEU CB C 13 43.224 0.200 . 1 . . . . . 26 L CB . 52726 1 329 . 1 . 1 46 46 LEU CG C 13 26.280 0.200 . 1 . . . . . 26 L CG . 52726 1 330 . 1 . 1 46 46 LEU CD2 C 13 23.771 0.200 . 2 . . . . . 26 L CD2 . 52726 1 331 . 1 . 1 46 46 LEU N N 15 123.926 0.300 . 1 . . . . . 26 L N . 52726 1 332 . 1 . 1 47 47 ARG H H 1 10.472 0.025 . 1 . . . . . 27 R HN . 52726 1 333 . 1 . 1 47 47 ARG HA H 1 4.567 0.025 . 1 . . . . . 27 R HA . 52726 1 334 . 1 . 1 47 47 ARG HB2 H 1 1.890 0.025 . 2 . . . . . 27 R HB1 . 52726 1 335 . 1 . 1 47 47 ARG HB3 H 1 1.986 0.025 . 2 . . . . . 27 R HB2 . 52726 1 336 . 1 . 1 47 47 ARG HG2 H 1 1.701 0.025 . 2 . . . . . 27 R HG2 . 52726 1 337 . 1 . 1 47 47 ARG HD2 H 1 3.190 0.025 . 2 . . . . . 27 R HD2 . 52726 1 338 . 1 . 1 47 47 ARG C C 13 180.325 0.200 . 1 . . . . . 27 R C . 52726 1 339 . 1 . 1 47 47 ARG CA C 13 57.495 0.200 . 1 . . . . . 27 R CA . 52726 1 340 . 1 . 1 47 47 ARG CB C 13 29.112 0.200 . 1 . . . . . 27 R CB . 52726 1 341 . 1 . 1 47 47 ARG CG C 13 27.596 0.200 . 1 . . . . . 27 R CG . 52726 1 342 . 1 . 1 47 47 ARG CD C 13 43.207 0.200 . 1 . . . . . 27 R CD . 52726 1 343 . 1 . 1 47 47 ARG N N 15 115.790 0.300 . 1 . . . . . 27 R N . 52726 1 344 . 1 . 1 48 48 LYS H H 1 9.519 0.025 . 1 . . . . . 28 K HN . 52726 1 345 . 1 . 1 48 48 LYS HA H 1 3.952 0.025 . 1 . . . . . 28 K HA . 52726 1 346 . 1 . 1 48 48 LYS HB2 H 1 1.784 0.025 . 2 . . . . . 28 K HB1 . 52726 1 347 . 1 . 1 48 48 LYS HB3 H 1 2.058 0.025 . 2 . . . . . 28 K HB2 . 52726 1 348 . 1 . 1 48 48 LYS HG2 H 1 1.528 0.025 . 2 . . . . . 28 K HG2 . 52726 1 349 . 1 . 1 48 48 LYS CA C 13 60.267 0.200 . 1 . . . . . 28 K CA . 52726 1 350 . 1 . 1 48 48 LYS CB C 13 32.961 0.200 . 1 . . . . . 28 K CB . 52726 1 351 . 1 . 1 48 48 LYS CG C 13 24.712 0.200 . 1 . . . . . 28 K CG . 52726 1 352 . 1 . 1 48 48 LYS CD C 13 29.049 0.200 . 1 . . . . . 28 K CD . 52726 1 353 . 1 . 1 48 48 LYS N N 15 120.960 0.300 . 1 . . . . . 28 K N . 52726 1 354 . 1 . 1 49 49 ASP H H 1 7.265 0.025 . 1 . . . . . 29 D HN . 52726 1 355 . 1 . 1 49 49 ASP HA H 1 5.042 0.025 . 1 . . . . . 29 D HA . 52726 1 356 . 1 . 1 49 49 ASP HB2 H 1 2.892 0.025 . 2 . . . . . 29 D HB1 . 52726 1 357 . 1 . 1 49 49 ASP HB3 H 1 3.428 0.025 . 2 . . . . . 29 D HB2 . 52726 1 358 . 1 . 1 49 49 ASP C C 13 177.668 0.200 . 1 . . . . . 29 D C . 52726 1 359 . 1 . 1 49 49 ASP CA C 13 56.335 0.200 . 1 . . . . . 29 D CA . 52726 1 360 . 1 . 1 49 49 ASP CB C 13 41.370 0.200 . 1 . . . . . 29 D CB . 52726 1 361 . 1 . 1 49 49 ASP N N 15 112.122 0.300 . 1 . . . . . 29 D N . 52726 1 362 . 1 . 1 50 50 LEU H H 1 8.005 0.025 . 1 . . . . . 30 L HN . 52726 1 363 . 1 . 1 50 50 LEU HA H 1 4.332 0.025 . 1 . . . . . 30 L HA . 52726 1 364 . 1 . 1 50 50 LEU HB2 H 1 2.564 0.025 . 2 . . . . . 30 L HB1 . 52726 1 365 . 1 . 1 50 50 LEU HB3 H 1 1.501 0.025 . 2 . . . . . 30 L HB2 . 52726 1 366 . 1 . 1 50 50 LEU HG H 1 1.723 0.025 . 1 . . . . . 30 L HG . 52726 1 367 . 1 . 1 50 50 LEU HD11 H 1 0.872 0.025 . 2 . . . . . 30 L HD1# . 52726 1 368 . 1 . 1 50 50 LEU HD12 H 1 0.872 0.025 . 2 . . . . . 30 L HD1# . 52726 1 369 . 1 . 1 50 50 LEU HD13 H 1 0.872 0.025 . 2 . . . . . 30 L HD1# . 52726 1 370 . 1 . 1 50 50 LEU HD21 H 1 0.955 0.025 . 2 . . . . . 30 L HD2# . 52726 1 371 . 1 . 1 50 50 LEU HD22 H 1 0.955 0.025 . 2 . . . . . 30 L HD2# . 52726 1 372 . 1 . 1 50 50 LEU HD23 H 1 0.955 0.025 . 2 . . . . . 30 L HD2# . 52726 1 373 . 1 . 1 50 50 LEU C C 13 175.635 0.200 . 1 . . . . . 30 L C . 52726 1 374 . 1 . 1 50 50 LEU CA C 13 55.544 0.200 . 1 . . . . . 30 L CA . 52726 1 375 . 1 . 1 50 50 LEU CB C 13 40.577 0.200 . 1 . . . . . 30 L CB . 52726 1 376 . 1 . 1 50 50 LEU CG C 13 26.821 0.200 . 1 . . . . . 30 L CG . 52726 1 377 . 1 . 1 50 50 LEU CD2 C 13 22.391 0.200 . 2 . . . . . 30 L CD2 . 52726 1 378 . 1 . 1 50 50 LEU N N 15 116.713 0.300 . 1 . . . . . 30 L N . 52726 1 379 . 1 . 1 51 51 GLN H H 1 7.328 0.025 . 1 . . . . . 31 Q HN . 52726 1 380 . 1 . 1 51 51 GLN HA H 1 4.273 0.025 . 1 . . . . . 31 Q HA . 52726 1 381 . 1 . 1 51 51 GLN HB2 H 1 2.295 0.025 . 2 . . . . . 31 Q HB1 . 52726 1 382 . 1 . 1 51 51 GLN HB3 H 1 2.346 0.025 . 2 . . . . . 31 Q HB2 . 52726 1 383 . 1 . 1 51 51 GLN HG2 H 1 2.247 0.025 . 2 . . . . . 31 Q HG2 . 52726 1 384 . 1 . 1 51 51 GLN C C 13 175.868 0.200 . 1 . . . . . 31 Q C . 52726 1 385 . 1 . 1 51 51 GLN CA C 13 56.232 0.200 . 1 . . . . . 31 Q CA . 52726 1 386 . 1 . 1 51 51 GLN CB C 13 25.906 0.200 . 1 . . . . . 31 Q CB . 52726 1 387 . 1 . 1 51 51 GLN CG C 13 34.305 0.200 . 1 . . . . . 31 Q CG . 52726 1 388 . 1 . 1 51 51 GLN N N 15 111.597 0.300 . 1 . . . . . 31 Q N . 52726 1 389 . 1 . 1 52 52 LEU H H 1 8.164 0.025 . 1 . . . . . 32 L HN . 52726 1 390 . 1 . 1 52 52 LEU HA H 1 4.595 0.025 . 1 . . . . . 32 L HA . 52726 1 391 . 1 . 1 52 52 LEU HB2 H 1 1.319 0.025 . 2 . . . . . 32 L HB1 . 52726 1 392 . 1 . 1 52 52 LEU HB3 H 1 1.634 0.025 . 2 . . . . . 32 L HB2 . 52726 1 393 . 1 . 1 52 52 LEU HG H 1 1.825 0.025 . 1 . . . . . 32 L HG . 52726 1 394 . 1 . 1 52 52 LEU HD11 H 1 0.852 0.025 . 2 . . . . . 32 L HD1# . 52726 1 395 . 1 . 1 52 52 LEU HD12 H 1 0.852 0.025 . 2 . . . . . 32 L HD1# . 52726 1 396 . 1 . 1 52 52 LEU HD13 H 1 0.852 0.025 . 2 . . . . . 32 L HD1# . 52726 1 397 . 1 . 1 52 52 LEU C C 13 177.525 0.200 . 1 . . . . . 32 L C . 52726 1 398 . 1 . 1 52 52 LEU CA C 13 55.039 0.200 . 1 . . . . . 32 L CA . 52726 1 399 . 1 . 1 52 52 LEU CB C 13 42.178 0.200 . 1 . . . . . 32 L CB . 52726 1 400 . 1 . 1 52 52 LEU CG C 13 27.294 0.200 . 1 . . . . . 32 L CG . 52726 1 401 . 1 . 1 52 52 LEU CD1 C 13 23.217 0.200 . 2 . . . . . 32 L CD1 . 52726 1 402 . 1 . 1 52 52 LEU N N 15 119.113 0.300 . 1 . . . . . 32 L N . 52726 1 403 . 1 . 1 53 53 ASP H H 1 9.415 0.025 . 1 . . . . . 33 D HN . 52726 1 404 . 1 . 1 53 53 ASP CA C 13 52.381 0.200 . 1 . . . . . 33 D CA . 52726 1 405 . 1 . 1 53 53 ASP CB C 13 42.577 0.200 . 1 . . . . . 33 D CB . 52726 1 406 . 1 . 1 53 53 ASP N N 15 125.093 0.300 . 1 . . . . . 33 D N . 52726 1 407 . 1 . 1 55 55 THR HA H 1 4.139 0.025 . 1 . . . . . 35 T HA . 52726 1 408 . 1 . 1 55 55 THR HB H 1 4.393 0.025 . 1 . . . . . 35 T HB . 52726 1 409 . 1 . 1 55 55 THR HG21 H 1 1.351 0.025 . 1 . . . . . 35 T HG1 . 52726 1 410 . 1 . 1 55 55 THR HG22 H 1 1.351 0.025 . 1 . . . . . 35 T HG1 . 52726 1 411 . 1 . 1 55 55 THR HG23 H 1 1.351 0.025 . 1 . . . . . 35 T HG1 . 52726 1 412 . 1 . 1 55 55 THR C C 13 176.653 0.200 . 1 . . . . . 35 T C . 52726 1 413 . 1 . 1 55 55 THR CA C 13 65.391 0.200 . 1 . . . . . 35 T CA . 52726 1 414 . 1 . 1 55 55 THR CB C 13 68.718 0.200 . 1 . . . . . 35 T CB . 52726 1 415 . 1 . 1 55 55 THR CG2 C 13 22.132 0.200 . 1 . . . . . 35 T CG2 . 52726 1 416 . 1 . 1 56 56 GLU H H 1 8.340 0.025 . 1 . . . . . 36 E HN . 52726 1 417 . 1 . 1 56 56 GLU HA H 1 4.380 0.025 . 1 . . . . . 36 E HA . 52726 1 418 . 1 . 1 56 56 GLU HB2 H 1 2.487 0.025 . 2 . . . . . 36 E HB1 . 52726 1 419 . 1 . 1 56 56 GLU HB3 H 1 2.019 0.025 . 2 . . . . . 36 E HB2 . 52726 1 420 . 1 . 1 56 56 GLU HG2 H 1 2.481 0.025 . 2 . . . . . 36 E HG1 . 52726 1 421 . 1 . 1 56 56 GLU HG3 H 1 2.574 0.025 . 2 . . . . . 36 E HG2 . 52726 1 422 . 1 . 1 56 56 GLU C C 13 179.033 0.200 . 1 . . . . . 36 E C . 52726 1 423 . 1 . 1 56 56 GLU CA C 13 59.383 0.200 . 1 . . . . . 36 E CA . 52726 1 424 . 1 . 1 56 56 GLU CB C 13 30.446 0.200 . 1 . . . . . 36 E CB . 52726 1 425 . 1 . 1 56 56 GLU CG C 13 37.532 0.200 . 1 . . . . . 36 E CG . 52726 1 426 . 1 . 1 56 56 GLU N N 15 122.292 0.300 . 1 . . . . . 36 E N . 52726 1 427 . 1 . 1 57 57 THR H H 1 8.498 0.025 . 1 . . . . . 37 T HN . 52726 1 428 . 1 . 1 57 57 THR HA H 1 3.997 0.025 . 1 . . . . . 37 T HA . 52726 1 429 . 1 . 1 57 57 THR HB H 1 4.376 0.025 . 1 . . . . . 37 T HB . 52726 1 430 . 1 . 1 57 57 THR HG21 H 1 1.244 0.025 . 1 . . . . . 37 T HG1 . 52726 1 431 . 1 . 1 57 57 THR HG22 H 1 1.244 0.025 . 1 . . . . . 37 T HG1 . 52726 1 432 . 1 . 1 57 57 THR HG23 H 1 1.244 0.025 . 1 . . . . . 37 T HG1 . 52726 1 433 . 1 . 1 57 57 THR C C 13 177.581 0.200 . 1 . . . . . 37 T C . 52726 1 434 . 1 . 1 57 57 THR CA C 13 66.437 0.200 . 1 . . . . . 37 T CA . 52726 1 435 . 1 . 1 57 57 THR CB C 13 67.881 0.200 . 1 . . . . . 37 T CB . 52726 1 436 . 1 . 1 57 57 THR CG2 C 13 22.731 0.200 . 1 . . . . . 37 T CG2 . 52726 1 437 . 1 . 1 57 57 THR N N 15 110.480 0.300 . 1 . . . . . 37 T N . 52726 1 438 . 1 . 1 58 58 VAL H H 1 7.786 0.025 . 1 . . . . . 38 V HN . 52726 1 439 . 1 . 1 58 58 VAL HA H 1 3.930 0.025 . 1 . . . . . 38 V HA . 52726 1 440 . 1 . 1 58 58 VAL HB H 1 2.360 0.025 . 1 . . . . . 38 V HB . 52726 1 441 . 1 . 1 58 58 VAL HG11 H 1 1.085 0.025 . 2 . . . . . 38 V HG1# . 52726 1 442 . 1 . 1 58 58 VAL HG12 H 1 1.085 0.025 . 2 . . . . . 38 V HG1# . 52726 1 443 . 1 . 1 58 58 VAL HG13 H 1 1.085 0.025 . 2 . . . . . 38 V HG1# . 52726 1 444 . 1 . 1 58 58 VAL HG21 H 1 1.181 0.025 . 2 . . . . . 38 V HG2# . 52726 1 445 . 1 . 1 58 58 VAL HG22 H 1 1.181 0.025 . 2 . . . . . 38 V HG2# . 52726 1 446 . 1 . 1 58 58 VAL HG23 H 1 1.181 0.025 . 2 . . . . . 38 V HG2# . 52726 1 447 . 1 . 1 58 58 VAL C C 13 178.205 0.200 . 1 . . . . . 38 V C . 52726 1 448 . 1 . 1 58 58 VAL CA C 13 66.751 0.200 . 1 . . . . . 38 V CA . 52726 1 449 . 1 . 1 58 58 VAL CB C 13 31.348 0.200 . 1 . . . . . 38 V CB . 52726 1 450 . 1 . 1 58 58 VAL CG1 C 13 21.157 0.200 . 2 . . . . . 38 V CG1 . 52726 1 451 . 1 . 1 58 58 VAL CG2 C 13 22.902 0.200 . 2 . . . . . 38 V CG2 . 52726 1 452 . 1 . 1 58 58 VAL N N 15 124.246 0.300 . 1 . . . . . 38 V N . 52726 1 453 . 1 . 1 59 59 ASP H H 1 7.697 0.025 . 1 . . . . . 39 D HN . 52726 1 454 . 1 . 1 59 59 ASP HA H 1 4.663 0.025 . 1 . . . . . 39 D HA . 52726 1 455 . 1 . 1 59 59 ASP HB2 H 1 2.709 0.025 . 2 . . . . . 39 D HB1 . 52726 1 456 . 1 . 1 59 59 ASP HB3 H 1 3.009 0.025 . 2 . . . . . 39 D HB2 . 52726 1 457 . 1 . 1 59 59 ASP C C 13 180.665 0.200 . 1 . . . . . 39 D C . 52726 1 458 . 1 . 1 59 59 ASP CA C 13 58.117 0.200 . 1 . . . . . 39 D CA . 52726 1 459 . 1 . 1 59 59 ASP CB C 13 40.427 0.200 . 1 . . . . . 39 D CB . 52726 1 460 . 1 . 1 59 59 ASP N N 15 121.166 0.300 . 1 . . . . . 39 D N . 52726 1 461 . 1 . 1 60 60 ILE H H 1 8.327 0.025 . 1 . . . . . 40 I HN . 52726 1 462 . 1 . 1 60 60 ILE HA H 1 3.835 0.025 . 1 . . . . . 40 I HA . 52726 1 463 . 1 . 1 60 60 ILE HB H 1 2.070 0.025 . 1 . . . . . 40 I HB . 52726 1 464 . 1 . 1 60 60 ILE HG12 H 1 0.830 0.025 . 2 . . . . . 40 I HG12 . 52726 1 465 . 1 . 1 60 60 ILE C C 13 177.575 0.200 . 1 . . . . . 40 I C . 52726 1 466 . 1 . 1 60 60 ILE CA C 13 65.890 0.200 . 1 . . . . . 40 I CA . 52726 1 467 . 1 . 1 60 60 ILE CB C 13 37.457 0.200 . 1 . . . . . 40 I CB . 52726 1 468 . 1 . 1 60 60 ILE CG1 C 13 28.480 0.200 . 1 . . . . . 40 I CG1 . 52726 1 469 . 1 . 1 60 60 ILE CG2 C 13 17.459 0.200 . 1 . . . . . 40 I CG2 . 52726 1 470 . 1 . 1 60 60 ILE CD1 C 13 15.274 0.200 . 1 . . . . . 40 I CD1 . 52726 1 471 . 1 . 1 60 60 ILE N N 15 121.928 0.300 . 1 . . . . . 40 I N . 52726 1 472 . 1 . 1 61 61 SER H H 1 8.197 0.025 . 1 . . . . . 41 S HN . 52726 1 473 . 1 . 1 61 61 SER HA H 1 4.361 0.025 . 1 . . . . . 41 S HA . 52726 1 474 . 1 . 1 61 61 SER HB2 H 1 4.270 0.025 . 2 . . . . . 41 S HB2 . 52726 1 475 . 1 . 1 61 61 SER C C 13 178.035 0.200 . 1 . . . . . 41 S C . 52726 1 476 . 1 . 1 61 61 SER CA C 13 63.507 0.200 . 1 . . . . . 41 S CA . 52726 1 477 . 1 . 1 61 61 SER CB C 13 62.469 0.200 . 1 . . . . . 41 S CB . 52726 1 478 . 1 . 1 61 61 SER N N 15 116.615 0.300 . 1 . . . . . 41 S N . 52726 1 479 . 1 . 1 62 62 LEU H H 1 8.824 0.025 . 1 . . . . . 42 L HN . 52726 1 480 . 1 . 1 62 62 LEU HA H 1 4.340 0.025 . 1 . . . . . 42 L HA . 52726 1 481 . 1 . 1 62 62 LEU HB2 H 1 1.719 0.025 . 2 . . . . . 42 L HB1 . 52726 1 482 . 1 . 1 62 62 LEU HB3 H 1 2.029 0.025 . 2 . . . . . 42 L HB2 . 52726 1 483 . 1 . 1 62 62 LEU HG H 1 1.886 0.025 . 1 . . . . . 42 L HG . 52726 1 484 . 1 . 1 62 62 LEU HD11 H 1 1.018 0.025 . 2 . . . . . 42 L HD1# . 52726 1 485 . 1 . 1 62 62 LEU HD12 H 1 1.018 0.025 . 2 . . . . . 42 L HD1# . 52726 1 486 . 1 . 1 62 62 LEU HD13 H 1 1.018 0.025 . 2 . . . . . 42 L HD1# . 52726 1 487 . 1 . 1 62 62 LEU C C 13 179.812 0.200 . 1 . . . . . 42 L C . 52726 1 488 . 1 . 1 62 62 LEU CA C 13 58.077 0.200 . 1 . . . . . 42 L CA . 52726 1 489 . 1 . 1 62 62 LEU CB C 13 41.492 0.200 . 1 . . . . . 42 L CB . 52726 1 490 . 1 . 1 62 62 LEU CG C 13 26.987 0.200 . 1 . . . . . 42 L CG . 52726 1 491 . 1 . 1 62 62 LEU CD1 C 13 23.300 0.200 . 2 . . . . . 42 L CD1 . 52726 1 492 . 1 . 1 62 62 LEU CD2 C 13 24.703 0.200 . 2 . . . . . 42 L CD2 . 52726 1 493 . 1 . 1 62 62 LEU N N 15 123.674 0.300 . 1 . . . . . 42 L N . 52726 1 494 . 1 . 1 63 63 GLY H H 1 8.511 0.025 . 1 . . . . . 43 G HN . 52726 1 495 . 1 . 1 63 63 GLY HA2 H 1 4.003 0.025 . 2 . . . . . 43 G HA1 . 52726 1 496 . 1 . 1 63 63 GLY HA3 H 1 3.825 0.025 . 2 . . . . . 43 G HA2 . 52726 1 497 . 1 . 1 63 63 GLY C C 13 177.357 0.200 . 1 . . . . . 43 G C . 52726 1 498 . 1 . 1 63 63 GLY CA C 13 47.427 0.200 . 1 . . . . . 43 G CA . 52726 1 499 . 1 . 1 63 63 GLY N N 15 109.329 0.300 . 1 . . . . . 43 G N . 52726 1 500 . 1 . 1 64 64 LEU H H 1 8.714 0.025 . 1 . . . . . 44 L HN . 52726 1 501 . 1 . 1 64 64 LEU HA H 1 4.317 0.025 . 1 . . . . . 44 L HA . 52726 1 502 . 1 . 1 64 64 LEU HB2 H 1 2.379 0.025 . 2 . . . . . 44 L HB1 . 52726 1 503 . 1 . 1 64 64 LEU HB3 H 1 1.413 0.025 . 2 . . . . . 44 L HB2 . 52726 1 504 . 1 . 1 64 64 LEU HG H 1 2.083 0.025 . 1 . . . . . 44 L HG . 52726 1 505 . 1 . 1 64 64 LEU HD11 H 1 0.843 0.025 . 2 . . . . . 44 L HD1# . 52726 1 506 . 1 . 1 64 64 LEU HD12 H 1 0.843 0.025 . 2 . . . . . 44 L HD1# . 52726 1 507 . 1 . 1 64 64 LEU HD13 H 1 0.843 0.025 . 2 . . . . . 44 L HD1# . 52726 1 508 . 1 . 1 64 64 LEU HD21 H 1 1.027 0.025 . 2 . . . . . 44 L HD2# . 52726 1 509 . 1 . 1 64 64 LEU HD22 H 1 1.027 0.025 . 2 . . . . . 44 L HD2# . 52726 1 510 . 1 . 1 64 64 LEU HD23 H 1 1.027 0.025 . 2 . . . . . 44 L HD2# . 52726 1 511 . 1 . 1 64 64 LEU C C 13 178.866 0.200 . 1 . . . . . 44 L C . 52726 1 512 . 1 . 1 64 64 LEU CA C 13 57.835 0.200 . 1 . . . . . 44 L CA . 52726 1 513 . 1 . 1 64 64 LEU CB C 13 42.038 0.200 . 1 . . . . . 44 L CB . 52726 1 514 . 1 . 1 64 64 LEU CG C 13 26.058 0.200 . 1 . . . . . 44 L CG . 52726 1 515 . 1 . 1 64 64 LEU CD1 C 13 22.384 0.200 . 2 . . . . . 44 L CD1 . 52726 1 516 . 1 . 1 64 64 LEU N N 15 122.871 0.300 . 1 . . . . . 44 L N . 52726 1 517 . 1 . 1 65 65 LYS H H 1 8.368 0.025 . 1 . . . . . 45 K HN . 52726 1 518 . 1 . 1 65 65 LYS HA H 1 4.486 0.025 . 1 . . . . . 45 K HA . 52726 1 519 . 1 . 1 65 65 LYS HB2 H 1 2.270 0.025 . 2 . . . . . 45 K HB1 . 52726 1 520 . 1 . 1 65 65 LYS HB3 H 1 2.144 0.025 . 2 . . . . . 45 K HB2 . 52726 1 521 . 1 . 1 65 65 LYS HG2 H 1 1.434 0.025 . 2 . . . . . 45 K HG1 . 52726 1 522 . 1 . 1 65 65 LYS HG3 H 1 1.330 0.025 . 2 . . . . . 45 K HG2 . 52726 1 523 . 1 . 1 65 65 LYS HD2 H 1 1.651 0.025 . 2 . . . . . 45 K HD2 . 52726 1 524 . 1 . 1 65 65 LYS HE2 H 1 2.995 0.025 . 1 . . . . . 45 K HE2 . 52726 1 525 . 1 . 1 65 65 LYS C C 13 180.079 0.200 . 1 . . . . . 45 K C . 52726 1 526 . 1 . 1 65 65 LYS CA C 13 59.665 0.200 . 1 . . . . . 45 K CA . 52726 1 527 . 1 . 1 65 65 LYS CB C 13 32.456 0.200 . 1 . . . . . 45 K CB . 52726 1 528 . 1 . 1 65 65 LYS CG C 13 24.660 0.200 . 1 . . . . . 45 K CG . 52726 1 529 . 1 . 1 65 65 LYS CD C 13 29.488 0.200 . 1 . . . . . 45 K CD . 52726 1 530 . 1 . 1 65 65 LYS CE C 13 42.228 0.200 . 1 . . . . . 45 K CE . 52726 1 531 . 1 . 1 65 65 LYS N N 15 123.606 0.300 . 1 . . . . . 45 K N . 52726 1 532 . 1 . 1 66 66 ARG H H 1 8.369 0.025 . 1 . . . . . 46 R HN . 52726 1 533 . 1 . 1 66 66 ARG HA H 1 4.112 0.025 . 1 . . . . . 46 R HA . 52726 1 534 . 1 . 1 66 66 ARG HB2 H 1 2.025 0.025 . 2 . . . . . 46 R HB2 . 52726 1 535 . 1 . 1 66 66 ARG HG2 H 1 1.707 0.025 . 2 . . . . . 46 R HG1 . 52726 1 536 . 1 . 1 66 66 ARG HG3 H 1 1.917 0.025 . 2 . . . . . 46 R HG2 . 52726 1 537 . 1 . 1 66 66 ARG HD2 H 1 3.279 0.025 . 2 . . . . . 46 R HD2 . 52726 1 538 . 1 . 1 66 66 ARG C C 13 177.919 0.200 . 1 . . . . . 46 R C . 52726 1 539 . 1 . 1 66 66 ARG CA C 13 59.442 0.200 . 1 . . . . . 46 R CA . 52726 1 540 . 1 . 1 66 66 ARG CB C 13 30.250 0.200 . 1 . . . . . 46 R CB . 52726 1 541 . 1 . 1 66 66 ARG CG C 13 27.719 0.200 . 1 . . . . . 46 R CG . 52726 1 542 . 1 . 1 66 66 ARG CD C 13 43.497 0.200 . 1 . . . . . 46 R CD . 52726 1 543 . 1 . 1 66 66 ARG N N 15 119.714 0.300 . 1 . . . . . 46 R N . 52726 1 544 . 1 . 1 67 67 ARG H H 1 7.491 0.025 . 1 . . . . . 47 R HN . 52726 1 545 . 1 . 1 67 67 ARG HA H 1 4.093 0.025 . 1 . . . . . 47 R HA . 52726 1 546 . 1 . 1 67 67 ARG HB2 H 1 1.033 0.025 . 2 . . . . . 47 R HB1 . 52726 1 547 . 1 . 1 67 67 ARG HB3 H 1 1.370 0.025 . 2 . . . . . 47 R HB2 . 52726 1 548 . 1 . 1 67 67 ARG HG2 H 1 1.245 0.025 . 2 . . . . . 47 R HG2 . 52726 1 549 . 1 . 1 67 67 ARG HD2 H 1 2.991 0.025 . 2 . . . . . 47 R HD2 . 52726 1 550 . 1 . 1 67 67 ARG C C 13 177.473 0.200 . 1 . . . . . 47 R C . 52726 1 551 . 1 . 1 67 67 ARG CA C 13 57.426 0.200 . 1 . . . . . 47 R CA . 52726 1 552 . 1 . 1 67 67 ARG CB C 13 30.818 0.200 . 1 . . . . . 47 R CB . 52726 1 553 . 1 . 1 67 67 ARG CG C 13 27.343 0.200 . 1 . . . . . 47 R CG . 52726 1 554 . 1 . 1 67 67 ARG CD C 13 42.476 0.200 . 1 . . . . . 47 R CD . 52726 1 555 . 1 . 1 67 67 ARG N N 15 114.941 0.300 . 1 . . . . . 47 R N . 52726 1 556 . 1 . 1 68 68 PHE H H 1 8.468 0.025 . 1 . . . . . 48 F HN . 52726 1 557 . 1 . 1 68 68 PHE HA H 1 5.085 0.025 . 1 . . . . . 48 F HA . 52726 1 558 . 1 . 1 68 68 PHE HB2 H 1 2.845 0.025 . 2 . . . . . 48 F HB1 . 52726 1 559 . 1 . 1 68 68 PHE HB3 H 1 3.482 0.025 . 2 . . . . . 48 F HB2 . 52726 1 560 . 1 . 1 68 68 PHE C C 13 176.419 0.200 . 1 . . . . . 48 F C . 52726 1 561 . 1 . 1 68 68 PHE CA C 13 57.803 0.200 . 1 . . . . . 48 F CA . 52726 1 562 . 1 . 1 68 68 PHE CB C 13 42.036 0.200 . 1 . . . . . 48 F CB . 52726 1 563 . 1 . 1 68 68 PHE N N 15 112.587 0.300 . 1 . . . . . 48 F N . 52726 1 564 . 1 . 1 69 69 GLY H H 1 8.572 0.025 . 1 . . . . . 49 G HN . 52726 1 565 . 1 . 1 69 69 GLY HA2 H 1 4.044 0.025 . 2 . . . . . 49 G HA1 . 52726 1 566 . 1 . 1 69 69 GLY HA3 H 1 4.247 0.025 . 2 . . . . . 49 G HA2 . 52726 1 567 . 1 . 1 69 69 GLY C C 13 173.807 0.200 . 1 . . . . . 49 G C . 52726 1 568 . 1 . 1 69 69 GLY CA C 13 46.488 0.200 . 1 . . . . . 49 G CA . 52726 1 569 . 1 . 1 69 69 GLY N N 15 108.851 0.300 . 1 . . . . . 49 G N . 52726 1 570 . 1 . 1 70 70 VAL H H 1 6.716 0.025 . 1 . . . . . 50 V HN . 52726 1 571 . 1 . 1 70 70 VAL HA H 1 4.470 0.025 . 1 . . . . . 50 V HA . 52726 1 572 . 1 . 1 70 70 VAL HG11 H 1 0.860 0.025 . 2 . . . . . 50 V HG# . 52726 1 573 . 1 . 1 70 70 VAL HG12 H 1 0.860 0.025 . 2 . . . . . 50 V HG# . 52726 1 574 . 1 . 1 70 70 VAL HG13 H 1 0.860 0.025 . 2 . . . . . 50 V HG# . 52726 1 575 . 1 . 1 70 70 VAL HG21 H 1 0.860 0.025 . 2 . . . . . 50 V HG# . 52726 1 576 . 1 . 1 70 70 VAL HG22 H 1 0.860 0.025 . 2 . . . . . 50 V HG# . 52726 1 577 . 1 . 1 70 70 VAL HG23 H 1 0.860 0.025 . 2 . . . . . 50 V HG# . 52726 1 578 . 1 . 1 70 70 VAL C C 13 173.642 0.200 . 1 . . . . . 50 V C . 52726 1 579 . 1 . 1 70 70 VAL CA C 13 58.429 0.200 . 1 . . . . . 50 V CA . 52726 1 580 . 1 . 1 70 70 VAL CB C 13 33.869 0.200 . 1 . . . . . 50 V CB . 52726 1 581 . 1 . 1 70 70 VAL N N 15 108.389 0.300 . 1 . . . . . 50 V N . 52726 1 582 . 1 . 1 71 71 ASN HA H 1 5.033 0.025 . 1 . . . . . 51 N HA . 52726 1 583 . 1 . 1 71 71 ASN HB2 H 1 2.665 0.025 . 2 . . . . . 51 N HB1 . 52726 1 584 . 1 . 1 71 71 ASN HB3 H 1 2.882 0.025 . 2 . . . . . 51 N HB2 . 52726 1 585 . 1 . 1 71 71 ASN C C 13 174.344 0.200 . 1 . . . . . 51 N C . 52726 1 586 . 1 . 1 71 71 ASN CA C 13 51.914 0.200 . 1 . . . . . 51 N CA . 52726 1 587 . 1 . 1 71 71 ASN CB C 13 39.302 0.200 . 1 . . . . . 51 N CB . 52726 1 588 . 1 . 1 72 72 VAL H H 1 8.924 0.025 . 1 . . . . . 52 V HN . 52726 1 589 . 1 . 1 72 72 VAL HA H 1 4.404 0.025 . 1 . . . . . 52 V HA . 52726 1 590 . 1 . 1 72 72 VAL HB H 1 2.102 0.025 . 1 . . . . . 52 V HB . 52726 1 591 . 1 . 1 72 72 VAL HG11 H 1 0.896 0.025 . 2 . . . . . 52 V HG1# . 52726 1 592 . 1 . 1 72 72 VAL HG12 H 1 0.896 0.025 . 2 . . . . . 52 V HG1# . 52726 1 593 . 1 . 1 72 72 VAL HG13 H 1 0.896 0.025 . 2 . . . . . 52 V HG1# . 52726 1 594 . 1 . 1 72 72 VAL HG21 H 1 0.831 0.025 . 2 . . . . . 52 V HG2# . 52726 1 595 . 1 . 1 72 72 VAL HG22 H 1 0.831 0.025 . 2 . . . . . 52 V HG2# . 52726 1 596 . 1 . 1 72 72 VAL HG23 H 1 0.831 0.025 . 2 . . . . . 52 V HG2# . 52726 1 597 . 1 . 1 72 72 VAL C C 13 174.553 0.200 . 1 . . . . . 52 V C . 52726 1 598 . 1 . 1 72 72 VAL CA C 13 60.389 0.200 . 1 . . . . . 52 V CA . 52726 1 599 . 1 . 1 72 72 VAL CB C 13 33.630 0.200 . 1 . . . . . 52 V CB . 52726 1 600 . 1 . 1 72 72 VAL CG1 C 13 21.814 0.200 . 2 . . . . . 52 V CG1 . 52726 1 601 . 1 . 1 72 72 VAL CG2 C 13 19.838 0.200 . 2 . . . . . 52 V CG2 . 52726 1 602 . 1 . 1 72 72 VAL N N 15 120.601 0.300 . 1 . . . . . 52 V N . 52726 1 603 . 1 . 1 73 73 LYS H H 1 8.647 0.025 . 1 . . . . . 53 K HN . 52726 1 604 . 1 . 1 73 73 LYS HA H 1 4.506 0.025 . 1 . . . . . 53 K HA . 52726 1 605 . 1 . 1 73 73 LYS HB2 H 1 1.858 0.025 . 2 . . . . . 53 K HB1 . 52726 1 606 . 1 . 1 73 73 LYS HB3 H 1 1.771 0.025 . 2 . . . . . 53 K HB2 . 52726 1 607 . 1 . 1 73 73 LYS HG2 H 1 1.458 0.025 . 2 . . . . . 53 K HG1 . 52726 1 608 . 1 . 1 73 73 LYS HG3 H 1 1.364 0.025 . 2 . . . . . 53 K HG2 . 52726 1 609 . 1 . 1 73 73 LYS HE2 H 1 3.009 0.025 . 1 . . . . . 53 K HE2 . 52726 1 610 . 1 . 1 73 73 LYS C C 13 176.144 0.200 . 1 . . . . . 53 K C . 52726 1 611 . 1 . 1 73 73 LYS CA C 13 55.583 0.200 . 1 . . . . . 53 K CA . 52726 1 612 . 1 . 1 73 73 LYS CB C 13 32.675 0.200 . 1 . . . . . 53 K CB . 52726 1 613 . 1 . 1 73 73 LYS CG C 13 24.756 0.200 . 1 . . . . . 53 K CG . 52726 1 614 . 1 . 1 73 73 LYS CD C 13 29.154 0.200 . 1 . . . . . 53 K CD . 52726 1 615 . 1 . 1 73 73 LYS CE C 13 42.104 0.200 . 1 . . . . . 53 K CE . 52726 1 616 . 1 . 1 73 73 LYS N N 15 125.957 0.300 . 1 . . . . . 53 K N . 52726 1 617 . 1 . 1 74 74 LEU H H 1 8.567 0.025 . 1 . . . . . 54 L HN . 52726 1 618 . 1 . 1 74 74 LEU HA H 1 4.333 0.025 . 1 . . . . . 54 L HA . 52726 1 619 . 1 . 1 74 74 LEU HB2 H 1 1.676 0.025 . 2 . . . . . 54 L HB1 . 52726 1 620 . 1 . 1 74 74 LEU HB3 H 1 1.514 0.025 . 2 . . . . . 54 L HB2 . 52726 1 621 . 1 . 1 74 74 LEU HG H 1 0.912 0.025 . 1 . . . . . 54 L HG . 52726 1 622 . 1 . 1 74 74 LEU C C 13 176.674 0.200 . 1 . . . . . 54 L C . 52726 1 623 . 1 . 1 74 74 LEU CA C 13 55.053 0.200 . 1 . . . . . 54 L CA . 52726 1 624 . 1 . 1 74 74 LEU CB C 13 41.454 0.200 . 1 . . . . . 54 L CB . 52726 1 625 . 1 . 1 74 74 LEU CG C 13 25.269 0.200 . 1 . . . . . 54 L CG . 52726 1 626 . 1 . 1 74 74 LEU CD1 C 13 24.404 0.200 . 2 . . . . . 54 L CD1 . 52726 1 627 . 1 . 1 74 74 LEU N N 15 124.473 0.300 . 1 . . . . . 54 L N . 52726 1 628 . 1 . 1 75 75 GLU H H 1 8.516 0.025 . 1 . . . . . 55 E HN . 52726 1 629 . 1 . 1 75 75 GLU C C 13 176.338 0.200 . 1 . . . . . 55 E C . 52726 1 630 . 1 . 1 75 75 GLU CA C 13 56.828 0.200 . 1 . . . . . 55 E CA . 52726 1 631 . 1 . 1 75 75 GLU CB C 13 29.373 0.200 . 1 . . . . . 55 E CB . 52726 1 632 . 1 . 1 75 75 GLU N N 15 119.528 0.300 . 1 . . . . . 55 E N . 52726 1 633 . 1 . 1 78 78 LYS HA H 1 4.359 0.025 . 1 . . . . . 58 K HA . 52726 1 634 . 1 . 1 78 78 LYS HB2 H 1 1.846 0.025 . 2 . . . . . 58 K HB1 . 52726 1 635 . 1 . 1 78 78 LYS HB3 H 1 1.929 0.025 . 2 . . . . . 58 K HB2 . 52726 1 636 . 1 . 1 78 78 LYS HG2 H 1 1.531 0.025 . 2 . . . . . 58 K HG2 . 52726 1 637 . 1 . 1 78 78 LYS HD2 H 1 1.785 0.025 . 2 . . . . . 58 K HD2 . 52726 1 638 . 1 . 1 78 78 LYS HE2 H 1 3.093 0.025 . 1 . . . . . 58 K HE2 . 52726 1 639 . 1 . 1 78 78 LYS CA C 13 56.365 0.200 . 1 . . . . . 58 K CA . 52726 1 640 . 1 . 1 78 78 LYS CB C 13 33.359 0.200 . 1 . . . . . 58 K CB . 52726 1 641 . 1 . 1 78 78 LYS CG C 13 24.857 0.200 . 1 . . . . . 58 K CG . 52726 1 642 . 1 . 1 78 78 LYS CD C 13 29.140 0.200 . 1 . . . . . 58 K CD . 52726 1 643 . 1 . 1 78 78 LYS CE C 13 42.104 0.200 . 1 . . . . . 58 K CE . 52726 1 644 . 1 . 1 79 79 ASP H H 1 8.308 0.025 . 1 . . . . . 59 D HN . 52726 1 645 . 1 . 1 79 79 ASP HA H 1 4.770 0.025 . 1 . . . . . 59 D HA . 52726 1 646 . 1 . 1 79 79 ASP HB2 H 1 2.702 0.025 . 2 . . . . . 59 D HB1 . 52726 1 647 . 1 . 1 79 79 ASP HB3 H 1 2.767 0.025 . 2 . . . . . 59 D HB2 . 52726 1 648 . 1 . 1 79 79 ASP C C 13 175.525 0.200 . 1 . . . . . 59 D C . 52726 1 649 . 1 . 1 79 79 ASP CA C 13 53.618 0.200 . 1 . . . . . 59 D CA . 52726 1 650 . 1 . 1 79 79 ASP CB C 13 42.321 0.200 . 1 . . . . . 59 D CB . 52726 1 651 . 1 . 1 79 79 ASP N N 15 120.424 0.300 . 1 . . . . . 59 D N . 52726 1 652 . 1 . 1 80 80 MET H H 1 8.876 0.025 . 1 . . . . . 60 M HN . 52726 1 653 . 1 . 1 80 80 MET HA H 1 4.841 0.025 . 1 . . . . . 60 M HA . 52726 1 654 . 1 . 1 80 80 MET HB2 H 1 2.205 0.025 . 2 . . . . . 60 M HB1 . 52726 1 655 . 1 . 1 80 80 MET HB3 H 1 2.343 0.025 . 2 . . . . . 60 M HB2 . 52726 1 656 . 1 . 1 80 80 MET HG2 H 1 2.586 0.025 . 2 . . . . . 60 M HG2 . 52726 1 657 . 1 . 1 80 80 MET C C 13 174.398 0.200 . 1 . . . . . 60 M C . 52726 1 658 . 1 . 1 80 80 MET CA C 13 55.132 0.200 . 1 . . . . . 60 M CA . 52726 1 659 . 1 . 1 80 80 MET CB C 13 36.685 0.200 . 1 . . . . . 60 M CB . 52726 1 660 . 1 . 1 80 80 MET CG C 13 31.278 0.200 . 1 . . . . . 60 M CG . 52726 1 661 . 1 . 1 80 80 MET N N 15 119.741 0.300 . 1 . . . . . 60 M N . 52726 1 662 . 1 . 1 81 81 THR H H 1 9.152 0.025 . 1 . . . . . 61 T HN . 52726 1 663 . 1 . 1 81 81 THR HA H 1 5.555 0.025 . 1 . . . . . 61 T HA . 52726 1 664 . 1 . 1 81 81 THR HB H 1 4.717 0.025 . 1 . . . . . 61 T HB . 52726 1 665 . 1 . 1 81 81 THR HG21 H 1 1.320 0.025 . 1 . . . . . 61 T HG2# . 52726 1 666 . 1 . 1 81 81 THR HG22 H 1 1.320 0.025 . 1 . . . . . 61 T HG2# . 52726 1 667 . 1 . 1 81 81 THR HG23 H 1 1.320 0.025 . 1 . . . . . 61 T HG2# . 52726 1 668 . 1 . 1 81 81 THR C C 13 177.528 0.200 . 1 . . . . . 61 T C . 52726 1 669 . 1 . 1 81 81 THR CA C 13 60.059 0.200 . 1 . . . . . 61 T CA . 52726 1 670 . 1 . 1 81 81 THR CB C 13 72.421 0.200 . 1 . . . . . 61 T CB . 52726 1 671 . 1 . 1 81 81 THR CG2 C 13 22.319 0.200 . 1 . . . . . 61 T CG2 . 52726 1 672 . 1 . 1 81 81 THR N N 15 111.969 0.300 . 1 . . . . . 61 T N . 52726 1 673 . 1 . 1 82 82 LEU H H 1 8.258 0.025 . 1 . . . . . 62 L HN . 52726 1 674 . 1 . 1 82 82 LEU HA H 1 4.139 0.025 . 1 . . . . . 62 L HA . 52726 1 675 . 1 . 1 82 82 LEU HB2 H 1 1.391 0.025 . 2 . . . . . 62 L HB1 . 52726 1 676 . 1 . 1 82 82 LEU HB3 H 1 2.248 0.025 . 2 . . . . . 62 L HB2 . 52726 1 677 . 1 . 1 82 82 LEU HG H 1 2.156 0.025 . 1 . . . . . 62 L HG . 52726 1 678 . 1 . 1 82 82 LEU HD11 H 1 1.037 0.025 . 2 . . . . . 62 L HD1# . 52726 1 679 . 1 . 1 82 82 LEU HD12 H 1 1.037 0.025 . 2 . . . . . 62 L HD1# . 52726 1 680 . 1 . 1 82 82 LEU HD13 H 1 1.037 0.025 . 2 . . . . . 62 L HD1# . 52726 1 681 . 1 . 1 82 82 LEU HD21 H 1 0.860 0.025 . 2 . . . . . 62 L HD2# . 52726 1 682 . 1 . 1 82 82 LEU HD22 H 1 0.860 0.025 . 2 . . . . . 62 L HD2# . 52726 1 683 . 1 . 1 82 82 LEU HD23 H 1 0.860 0.025 . 2 . . . . . 62 L HD2# . 52726 1 684 . 1 . 1 82 82 LEU C C 13 179.718 0.200 . 1 . . . . . 62 L C . 52726 1 685 . 1 . 1 82 82 LEU CA C 13 58.902 0.200 . 1 . . . . . 62 L CA . 52726 1 686 . 1 . 1 82 82 LEU CB C 13 39.271 0.200 . 1 . . . . . 62 L CB . 52726 1 687 . 1 . 1 82 82 LEU CG C 13 26.769 0.200 . 1 . . . . . 62 L CG . 52726 1 688 . 1 . 1 82 82 LEU CD2 C 13 22.941 0.200 . 2 . . . . . 62 L CD2 . 52726 1 689 . 1 . 1 82 82 LEU N N 15 118.255 0.300 . 1 . . . . . 62 L N . 52726 1 690 . 1 . 1 83 83 LYS H H 1 8.690 0.025 . 1 . . . . . 63 K HN . 52726 1 691 . 1 . 1 83 83 LYS HA H 1 4.097 0.025 . 1 . . . . . 63 K HA . 52726 1 692 . 1 . 1 83 83 LYS HB2 H 1 1.904 0.025 . 2 . . . . . 63 K HB2 . 52726 1 693 . 1 . 1 83 83 LYS HG2 H 1 1.505 0.025 . 2 . . . . . 63 K HG2 . 52726 1 694 . 1 . 1 83 83 LYS HD2 H 1 1.673 0.025 . 2 . . . . . 63 K HD2 . 52726 1 695 . 1 . 1 83 83 LYS HE2 H 1 2.995 0.025 . 1 . . . . . 63 K HE2 . 52726 1 696 . 1 . 1 83 83 LYS C C 13 178.202 0.200 . 1 . . . . . 63 K C . 52726 1 697 . 1 . 1 83 83 LYS CA C 13 60.211 0.200 . 1 . . . . . 63 K CA . 52726 1 698 . 1 . 1 83 83 LYS CB C 13 32.512 0.200 . 1 . . . . . 63 K CB . 52726 1 699 . 1 . 1 83 83 LYS CG C 13 24.591 0.200 . 1 . . . . . 63 K CG . 52726 1 700 . 1 . 1 83 83 LYS CD C 13 29.486 0.200 . 1 . . . . . 63 K CD . 52726 1 701 . 1 . 1 83 83 LYS CE C 13 42.214 0.200 . 1 . . . . . 63 K CE . 52726 1 702 . 1 . 1 83 83 LYS N N 15 121.210 0.300 . 1 . . . . . 63 K N . 52726 1 703 . 1 . 1 84 84 ASP H H 1 8.050 0.025 . 1 . . . . . 64 D HN . 52726 1 704 . 1 . 1 84 84 ASP HA H 1 4.426 0.025 . 1 . . . . . 64 D HA . 52726 1 705 . 1 . 1 84 84 ASP HB2 H 1 3.364 0.025 . 2 . . . . . 64 D HB1 . 52726 1 706 . 1 . 1 84 84 ASP HB3 H 1 2.734 0.025 . 2 . . . . . 64 D HB2 . 52726 1 707 . 1 . 1 84 84 ASP C C 13 179.782 0.200 . 1 . . . . . 64 D C . 52726 1 708 . 1 . 1 84 84 ASP CA C 13 57.755 0.200 . 1 . . . . . 64 D CA . 52726 1 709 . 1 . 1 84 84 ASP CB C 13 40.642 0.200 . 1 . . . . . 64 D CB . 52726 1 710 . 1 . 1 84 84 ASP N N 15 120.276 0.300 . 1 . . . . . 64 D N . 52726 1 711 . 1 . 1 85 85 VAL H H 1 8.137 0.025 . 1 . . . . . 65 V HN . 52726 1 712 . 1 . 1 85 85 VAL HA H 1 3.607 0.025 . 1 . . . . . 65 V HA . 52726 1 713 . 1 . 1 85 85 VAL HB H 1 2.585 0.025 . 1 . . . . . 65 V HB . 52726 1 714 . 1 . 1 85 85 VAL HG11 H 1 1.231 0.025 . 2 . . . . . 65 V HG1# . 52726 1 715 . 1 . 1 85 85 VAL HG12 H 1 1.231 0.025 . 2 . . . . . 65 V HG1# . 52726 1 716 . 1 . 1 85 85 VAL HG13 H 1 1.231 0.025 . 2 . . . . . 65 V HG1# . 52726 1 717 . 1 . 1 85 85 VAL HG21 H 1 0.925 0.025 . 2 . . . . . 65 V HG2# . 52726 1 718 . 1 . 1 85 85 VAL HG22 H 1 0.925 0.025 . 2 . . . . . 65 V HG2# . 52726 1 719 . 1 . 1 85 85 VAL HG23 H 1 0.925 0.025 . 2 . . . . . 65 V HG2# . 52726 1 720 . 1 . 1 85 85 VAL C C 13 177.718 0.200 . 1 . . . . . 65 V C . 52726 1 721 . 1 . 1 85 85 VAL CA C 13 66.993 0.200 . 1 . . . . . 65 V CA . 52726 1 722 . 1 . 1 85 85 VAL CB C 13 31.050 0.200 . 1 . . . . . 65 V CB . 52726 1 723 . 1 . 1 85 85 VAL CG1 C 13 22.596 0.200 . 2 . . . . . 65 V CG1 . 52726 1 724 . 1 . 1 85 85 VAL N N 15 121.140 0.300 . 1 . . . . . 65 V N . 52726 1 725 . 1 . 1 86 86 CYS H H 1 8.347 0.025 . 1 . . . . . 66 C HN . 52726 1 726 . 1 . 1 86 86 CYS HA H 1 3.913 0.025 . 1 . . . . . 66 C HA . 52726 1 727 . 1 . 1 86 86 CYS HB2 H 1 2.750 0.025 . 2 . . . . . 66 C HB1 . 52726 1 728 . 1 . 1 86 86 CYS HB3 H 1 3.433 0.025 . 2 . . . . . 66 C HB2 . 52726 1 729 . 1 . 1 86 86 CYS C C 13 176.908 0.200 . 1 . . . . . 66 C C . 52726 1 730 . 1 . 1 86 86 CYS CA C 13 63.891 0.200 . 1 . . . . . 66 C CA . 52726 1 731 . 1 . 1 86 86 CYS CB C 13 26.588 0.200 . 1 . . . . . 66 C CB . 52726 1 732 . 1 . 1 86 86 CYS N N 15 118.233 0.300 . 1 . . . . . 66 C N . 52726 1 733 . 1 . 1 87 87 GLU H H 1 8.426 0.025 . 1 . . . . . 67 E HN . 52726 1 734 . 1 . 1 87 87 GLU HA H 1 4.207 0.025 . 1 . . . . . 67 E HA . 52726 1 735 . 1 . 1 87 87 GLU HB2 H 1 2.198 0.025 . 2 . . . . . 67 E HB2 . 52726 1 736 . 1 . 1 87 87 GLU HG2 H 1 2.395 0.025 . 2 . . . . . 67 E HG1 . 52726 1 737 . 1 . 1 87 87 GLU HG3 H 1 2.529 0.025 . 2 . . . . . 67 E HG2 . 52726 1 738 . 1 . 1 87 87 GLU C C 13 179.274 0.200 . 1 . . . . . 67 E C . 52726 1 739 . 1 . 1 87 87 GLU CA C 13 59.346 0.200 . 1 . . . . . 67 E CA . 52726 1 740 . 1 . 1 87 87 GLU CB C 13 29.218 0.200 . 1 . . . . . 67 E CB . 52726 1 741 . 1 . 1 87 87 GLU CG C 13 36.187 0.200 . 1 . . . . . 67 E CG . 52726 1 742 . 1 . 1 87 87 GLU N N 15 118.993 0.300 . 1 . . . . . 67 E N . 52726 1 743 . 1 . 1 88 88 MET H H 1 8.128 0.025 . 1 . . . . . 68 M HN . 52726 1 744 . 1 . 1 88 88 MET HA H 1 4.215 0.025 . 1 . . . . . 68 M HA . 52726 1 745 . 1 . 1 88 88 MET HB2 H 1 2.228 0.025 . 2 . . . . . 68 M HB1 . 52726 1 746 . 1 . 1 88 88 MET HB3 H 1 2.403 0.025 . 2 . . . . . 68 M HB2 . 52726 1 747 . 1 . 1 88 88 MET HG2 H 1 2.527 0.025 . 2 . . . . . 68 M HG1 . 52726 1 748 . 1 . 1 88 88 MET HG3 H 1 2.819 0.025 . 2 . . . . . 68 M HG2 . 52726 1 749 . 1 . 1 88 88 MET C C 13 179.592 0.200 . 1 . . . . . 68 M C . 52726 1 750 . 1 . 1 88 88 MET CA C 13 59.428 0.200 . 1 . . . . . 68 M CA . 52726 1 751 . 1 . 1 88 88 MET CB C 13 33.154 0.200 . 1 . . . . . 68 M CB . 52726 1 752 . 1 . 1 88 88 MET CG C 13 31.726 0.200 . 1 . . . . . 68 M CG . 52726 1 753 . 1 . 1 88 88 MET N N 15 120.620 0.300 . 1 . . . . . 68 M N . 52726 1 754 . 1 . 1 89 89 VAL H H 1 8.395 0.025 . 1 . . . . . 69 V HN . 52726 1 755 . 1 . 1 89 89 VAL HA H 1 3.499 0.025 . 1 . . . . . 69 V HA . 52726 1 756 . 1 . 1 89 89 VAL HB H 1 2.201 0.025 . 1 . . . . . 69 V HB . 52726 1 757 . 1 . 1 89 89 VAL HG11 H 1 1.068 0.025 . 2 . . . . . 69 V HG1# . 52726 1 758 . 1 . 1 89 89 VAL HG12 H 1 1.068 0.025 . 2 . . . . . 69 V HG1# . 52726 1 759 . 1 . 1 89 89 VAL HG13 H 1 1.068 0.025 . 2 . . . . . 69 V HG1# . 52726 1 760 . 1 . 1 89 89 VAL HG21 H 1 0.593 0.025 . 2 . . . . . 69 V HG2# . 52726 1 761 . 1 . 1 89 89 VAL HG22 H 1 0.593 0.025 . 2 . . . . . 69 V HG2# . 52726 1 762 . 1 . 1 89 89 VAL HG23 H 1 0.593 0.025 . 2 . . . . . 69 V HG2# . 52726 1 763 . 1 . 1 89 89 VAL C C 13 177.140 0.200 . 1 . . . . . 69 V C . 52726 1 764 . 1 . 1 89 89 VAL CA C 13 66.656 0.200 . 1 . . . . . 69 V CA . 52726 1 765 . 1 . 1 89 89 VAL CB C 13 31.185 0.200 . 1 . . . . . 69 V CB . 52726 1 766 . 1 . 1 89 89 VAL CG1 C 13 24.287 0.200 . 2 . . . . . 69 V CG1 . 52726 1 767 . 1 . 1 89 89 VAL CG2 C 13 21.958 0.200 . 2 . . . . . 69 V CG2 . 52726 1 768 . 1 . 1 89 89 VAL N N 15 120.674 0.300 . 1 . . . . . 69 V N . 52726 1 769 . 1 . 1 90 90 ASN H H 1 8.704 0.025 . 1 . . . . . 70 N HN . 52726 1 770 . 1 . 1 90 90 ASN HA H 1 4.368 0.025 . 1 . . . . . 70 N HA . 52726 1 771 . 1 . 1 90 90 ASN HB2 H 1 2.821 0.025 . 2 . . . . . 70 N HB1 . 52726 1 772 . 1 . 1 90 90 ASN HB3 H 1 2.869 0.025 . 2 . . . . . 70 N HB2 . 52726 1 773 . 1 . 1 90 90 ASN C C 13 178.658 0.200 . 1 . . . . . 70 N C . 52726 1 774 . 1 . 1 90 90 ASN CA C 13 56.731 0.200 . 1 . . . . . 70 N CA . 52726 1 775 . 1 . 1 90 90 ASN CB C 13 38.165 0.200 . 1 . . . . . 70 N CB . 52726 1 776 . 1 . 1 90 90 ASN N N 15 118.173 0.300 . 1 . . . . . 70 N N . 52726 1 777 . 1 . 1 91 91 SER H H 1 8.465 0.025 . 1 . . . . . 71 S HN . 52726 1 778 . 1 . 1 91 91 SER HA H 1 4.075 0.025 . 1 . . . . . 71 S HA . 52726 1 779 . 1 . 1 91 91 SER HB2 H 1 4.326 0.025 . 2 . . . . . 71 S HB2 . 52726 1 780 . 1 . 1 91 91 SER C C 13 176.119 0.200 . 1 . . . . . 71 S C . 52726 1 781 . 1 . 1 91 91 SER CA C 13 61.852 0.200 . 1 . . . . . 71 S CA . 52726 1 782 . 1 . 1 91 91 SER CB C 13 62.748 0.200 . 1 . . . . . 71 S CB . 52726 1 783 . 1 . 1 91 91 SER N N 15 115.607 0.300 . 1 . . . . . 71 S N . 52726 1 784 . 1 . 1 92 92 ALA H H 1 7.845 0.025 . 1 . . . . . 72 A HN . 52726 1 785 . 1 . 1 92 92 ALA HA H 1 4.347 0.025 . 1 . . . . . 72 A HA . 52726 1 786 . 1 . 1 92 92 ALA HB1 H 1 1.536 0.025 . 1 . . . . . 72 A HB# . 52726 1 787 . 1 . 1 92 92 ALA HB2 H 1 1.536 0.025 . 1 . . . . . 72 A HB# . 52726 1 788 . 1 . 1 92 92 ALA HB3 H 1 1.536 0.025 . 1 . . . . . 72 A HB# . 52726 1 789 . 1 . 1 92 92 ALA C C 13 180.457 0.200 . 1 . . . . . 72 A C . 52726 1 790 . 1 . 1 92 92 ALA CA C 13 54.904 0.200 . 1 . . . . . 72 A CA . 52726 1 791 . 1 . 1 92 92 ALA CB C 13 18.048 0.200 . 1 . . . . . 72 A CB . 52726 1 792 . 1 . 1 92 92 ALA N N 15 125.269 0.300 . 1 . . . . . 72 A N . 52726 1 793 . 1 . 1 93 93 ILE H H 1 8.560 0.025 . 1 . . . . . 73 I HN . 52726 1 794 . 1 . 1 93 93 ILE HA H 1 3.706 0.025 . 1 . . . . . 73 I HA . 52726 1 795 . 1 . 1 93 93 ILE HB H 1 1.922 0.025 . 1 . . . . . 73 I HB . 52726 1 796 . 1 . 1 93 93 ILE HG12 H 1 1.044 0.025 . 2 . . . . . 73 I HG12 . 52726 1 797 . 1 . 1 93 93 ILE HG21 H 1 0.957 0.025 . 1 . . . . . 73 I HG2# . 52726 1 798 . 1 . 1 93 93 ILE HG22 H 1 0.957 0.025 . 1 . . . . . 73 I HG2# . 52726 1 799 . 1 . 1 93 93 ILE HG23 H 1 0.957 0.025 . 1 . . . . . 73 I HG2# . 52726 1 800 . 1 . 1 93 93 ILE HD11 H 1 0.580 0.025 . 1 . . . . . 73 I HD1# . 52726 1 801 . 1 . 1 93 93 ILE HD12 H 1 0.580 0.025 . 1 . . . . . 73 I HD1# . 52726 1 802 . 1 . 1 93 93 ILE HD13 H 1 0.580 0.025 . 1 . . . . . 73 I HD1# . 52726 1 803 . 1 . 1 93 93 ILE C C 13 178.588 0.200 . 1 . . . . . 73 I C . 52726 1 804 . 1 . 1 93 93 ILE CA C 13 64.984 0.200 . 1 . . . . . 73 I CA . 52726 1 805 . 1 . 1 93 93 ILE CB C 13 38.670 0.200 . 1 . . . . . 73 I CB . 52726 1 806 . 1 . 1 93 93 ILE CG1 C 13 29.000 0.200 . 1 . . . . . 73 I CG1 . 52726 1 807 . 1 . 1 93 93 ILE CG2 C 13 16.803 0.200 . 1 . . . . . 73 I CG2 . 52726 1 808 . 1 . 1 93 93 ILE CD1 C 13 14.060 0.200 . 1 . . . . . 73 I CD1 . 52726 1 809 . 1 . 1 93 93 ILE N N 15 120.085 0.300 . 1 . . . . . 73 I N . 52726 1 810 . 1 . 1 94 94 ALA H H 1 7.975 0.025 . 1 . . . . . 74 A HN . 52726 1 811 . 1 . 1 94 94 ALA HA H 1 4.267 0.025 . 1 . . . . . 74 A HA . 52726 1 812 . 1 . 1 94 94 ALA HB1 H 1 1.580 0.025 . 1 . . . . . 74 A HB# . 52726 1 813 . 1 . 1 94 94 ALA HB2 H 1 1.580 0.025 . 1 . . . . . 74 A HB# . 52726 1 814 . 1 . 1 94 94 ALA HB3 H 1 1.580 0.025 . 1 . . . . . 74 A HB# . 52726 1 815 . 1 . 1 94 94 ALA C C 13 179.088 0.200 . 1 . . . . . 74 A C . 52726 1 816 . 1 . 1 94 94 ALA CA C 13 54.561 0.200 . 1 . . . . . 74 A CA . 52726 1 817 . 1 . 1 94 94 ALA CB C 13 18.100 0.200 . 1 . . . . . 74 A CB . 52726 1 818 . 1 . 1 94 94 ALA N N 15 122.474 0.300 . 1 . . . . . 74 A N . 52726 1 819 . 1 . 1 95 95 ALA H H 1 7.799 0.025 . 1 . . . . . 75 A HN . 52726 1 820 . 1 . 1 95 95 ALA HA H 1 4.390 0.025 . 1 . . . . . 75 A HA . 52726 1 821 . 1 . 1 95 95 ALA HB1 H 1 1.612 0.025 . 1 . . . . . 75 A HB# . 52726 1 822 . 1 . 1 95 95 ALA HB2 H 1 1.612 0.025 . 1 . . . . . 75 A HB# . 52726 1 823 . 1 . 1 95 95 ALA HB3 H 1 1.612 0.025 . 1 . . . . . 75 A HB# . 52726 1 824 . 1 . 1 95 95 ALA C C 13 178.748 0.200 . 1 . . . . . 75 A C . 52726 1 825 . 1 . 1 95 95 ALA CA C 13 53.510 0.200 . 1 . . . . . 75 A CA . 52726 1 826 . 1 . 1 95 95 ALA CB C 13 18.567 0.200 . 1 . . . . . 75 A CB . 52726 1 827 . 1 . 1 95 95 ALA N N 15 119.306 0.300 . 1 . . . . . 75 A N . 52726 1 828 . 1 . 1 96 96 THR H H 1 7.806 0.025 . 1 . . . . . 76 T HN . 52726 1 829 . 1 . 1 96 96 THR HA H 1 4.424 0.025 . 1 . . . . . 76 T HA . 52726 1 830 . 1 . 1 96 96 THR HB H 1 4.433 0.025 . 1 . . . . . 76 T HB . 52726 1 831 . 1 . 1 96 96 THR HG21 H 1 1.410 0.025 . 1 . . . . . 76 T HG1 . 52726 1 832 . 1 . 1 96 96 THR HG22 H 1 1.410 0.025 . 1 . . . . . 76 T HG1 . 52726 1 833 . 1 . 1 96 96 THR HG23 H 1 1.410 0.025 . 1 . . . . . 76 T HG1 . 52726 1 834 . 1 . 1 96 96 THR C C 13 174.765 0.200 . 1 . . . . . 76 T C . 52726 1 835 . 1 . 1 96 96 THR CA C 13 62.918 0.200 . 1 . . . . . 76 T CA . 52726 1 836 . 1 . 1 96 96 THR CB C 13 69.952 0.200 . 1 . . . . . 76 T CB . 52726 1 837 . 1 . 1 96 96 THR CG2 C 13 21.566 0.200 . 1 . . . . . 76 T CG2 . 52726 1 838 . 1 . 1 96 96 THR N N 15 110.664 0.300 . 1 . . . . . 76 T N . 52726 1 839 . 1 . 1 97 97 ALA H H 1 7.998 0.025 . 1 . . . . . 77 A HN . 52726 1 840 . 1 . 1 97 97 ALA HA H 1 4.521 0.025 . 1 . . . . . 77 A HA . 52726 1 841 . 1 . 1 97 97 ALA HB1 H 1 1.567 0.025 . 1 . . . . . 77 A HB# . 52726 1 842 . 1 . 1 97 97 ALA HB2 H 1 1.567 0.025 . 1 . . . . . 77 A HB# . 52726 1 843 . 1 . 1 97 97 ALA HB3 H 1 1.567 0.025 . 1 . . . . . 77 A HB# . 52726 1 844 . 1 . 1 97 97 ALA C C 13 177.891 0.200 . 1 . . . . . 77 A C . 52726 1 845 . 1 . 1 97 97 ALA CA C 13 52.885 0.200 . 1 . . . . . 77 A CA . 52726 1 846 . 1 . 1 97 97 ALA CB C 13 19.287 0.200 . 1 . . . . . 77 A CB . 52726 1 847 . 1 . 1 97 97 ALA N N 15 125.610 0.300 . 1 . . . . . 77 A N . 52726 1 848 . 1 . 1 98 98 THR H H 1 8.088 0.025 . 1 . . . . . 78 T HN . 52726 1 849 . 1 . 1 98 98 THR HA H 1 4.441 0.025 . 1 . . . . . 78 T HA . 52726 1 850 . 1 . 1 98 98 THR HB H 1 4.356 0.025 . 1 . . . . . 78 T HB . 52726 1 851 . 1 . 1 98 98 THR HG21 H 1 1.329 0.025 . 1 . . . . . 78 T HG1 . 52726 1 852 . 1 . 1 98 98 THR HG22 H 1 1.329 0.025 . 1 . . . . . 78 T HG1 . 52726 1 853 . 1 . 1 98 98 THR HG23 H 1 1.329 0.025 . 1 . . . . . 78 T HG1 . 52726 1 854 . 1 . 1 98 98 THR C C 13 176.312 0.200 . 1 . . . . . 78 T C . 52726 1 855 . 1 . 1 98 98 THR CA C 13 61.769 0.200 . 1 . . . . . 78 T CA . 52726 1 856 . 1 . 1 98 98 THR CB C 13 69.913 0.200 . 1 . . . . . 78 T CB . 52726 1 857 . 1 . 1 98 98 THR CG2 C 13 21.467 0.200 . 1 . . . . . 78 T CG2 . 52726 1 858 . 1 . 1 98 98 THR N N 15 112.554 0.300 . 1 . . . . . 78 T N . 52726 1 859 . 1 . 1 99 99 ALA H H 1 8.303 0.025 . 1 . . . . . 79 A HN . 52726 1 860 . 1 . 1 99 99 ALA HA H 1 4.538 0.025 . 1 . . . . . 79 A HA . 52726 1 861 . 1 . 1 99 99 ALA HB1 H 1 1.532 0.025 . 1 . . . . . 79 A HB# . 52726 1 862 . 1 . 1 99 99 ALA HB2 H 1 1.532 0.025 . 1 . . . . . 79 A HB# . 52726 1 863 . 1 . 1 99 99 ALA HB3 H 1 1.532 0.025 . 1 . . . . . 79 A HB# . 52726 1 864 . 1 . 1 99 99 ALA C C 13 176.967 0.200 . 1 . . . . . 79 A C . 52726 1 865 . 1 . 1 99 99 ALA CA C 13 52.627 0.200 . 1 . . . . . 79 A CA . 52726 1 866 . 1 . 1 99 99 ALA CB C 13 19.553 0.200 . 1 . . . . . 79 A CB . 52726 1 867 . 1 . 1 99 99 ALA N N 15 127.265 0.300 . 1 . . . . . 79 A N . 52726 1 868 . 1 . 1 100 100 THR H H 1 7.887 0.025 . 1 . . . . . 80 T HN . 52726 1 869 . 1 . 1 100 100 THR C C 13 179.274 0.200 . 1 . . . . . 80 T C . 52726 1 870 . 1 . 1 100 100 THR CA C 13 63.278 0.200 . 1 . . . . . 80 T CA . 52726 1 871 . 1 . 1 100 100 THR CB C 13 70.935 0.200 . 1 . . . . . 80 T CB . 52726 1 872 . 1 . 1 100 100 THR N N 15 118.843 0.300 . 1 . . . . . 80 T N . 52726 1 stop_ save_