################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18478 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.05 _Assigned_chem_shift_list.Chem_shift_13C_err 0.5 _Assigned_chem_shift_list.Chem_shift_15N_err 0.5 _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' . . . 18478 1 3 '2D 1H-13C HSQC aliphatic' . . . 18478 1 4 '3D HNCO' . . . 18478 1 5 '3D CBCA(CO)NH' . . . 18478 1 6 '3D HNCACB' . . . 18478 1 7 '3D HBHA(CO)NH' . . . 18478 1 8 '3D (H)CC(CO)NH-TOCSY' . . . 18478 1 9 '3D HCCH-TOCSY' . . . 18478 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 GLY HA2 H 1 4.0220 0.05 . 2 . . . . -1 GLY HA2 . 18478 1 2 . 1 1 3 3 GLY HA3 H 1 4.0205 0.05 . 2 . . . . -1 GLY HA3 . 18478 1 3 . 1 1 3 3 GLY C C 13 177.0884 0.5 . 1 . . . . -1 GLY C . 18478 1 4 . 1 1 3 3 GLY CA C 13 45.3190 0.5 . 1 . . . . -1 GLY CA . 18478 1 5 . 1 1 4 4 SER H H 1 8.2075 0.05 . 1 . . . . 0 SER H . 18478 1 6 . 1 1 4 4 SER HA H 1 3.8638 0.05 . 1 . . . . 0 SER HA . 18478 1 7 . 1 1 4 4 SER HB2 H 1 4.5222 0.05 . 2 . . . . 0 SER HB2 . 18478 1 8 . 1 1 4 4 SER HB3 H 1 4.4758 0.05 . 2 . . . . 0 SER HB3 . 18478 1 9 . 1 1 4 4 SER C C 13 177.9906 0.5 . 1 . . . . 0 SER C . 18478 1 10 . 1 1 4 4 SER CA C 13 58.4488 0.5 . 1 . . . . 0 SER CA . 18478 1 11 . 1 1 4 4 SER CB C 13 64.2452 0.5 . 1 . . . . 0 SER CB . 18478 1 12 . 1 1 4 4 SER N N 15 115.8472 0.5 . 1 . . . . 0 SER N . 18478 1 13 . 1 1 5 5 MET H H 1 8.1477 0.05 . 1 . . . A 1 MET H . 18478 1 14 . 1 1 5 5 MET HA H 1 4.4047 0.05 . 1 . . . A 1 MET HA . 18478 1 15 . 1 1 5 5 MET HB2 H 1 2.0247 0.05 . 2 . . . A 1 MET HB2 . 18478 1 16 . 1 1 5 5 MET HB3 H 1 2.2090 0.05 . 2 . . . A 1 MET HB3 . 18478 1 17 . 1 1 5 5 MET HG2 H 1 2.5796 0.05 . 2 . . . A 1 MET HG2 . 18478 1 18 . 1 1 5 5 MET HG3 H 1 2.5922 0.05 . 2 . . . A 1 MET HG3 . 18478 1 19 . 1 1 5 5 MET C C 13 174.8246 0.5 . 1 . . . A 1 MET C . 18478 1 20 . 1 1 5 5 MET CA C 13 54.8926 0.5 . 1 . . . A 1 MET CA . 18478 1 21 . 1 1 5 5 MET CB C 13 32.5060 0.5 . 1 . . . A 1 MET CB . 18478 1 22 . 1 1 5 5 MET CG C 13 32.3435 0.5 . 1 . . . A 1 MET CG . 18478 1 23 . 1 1 5 5 MET N N 15 125.8670 0.5 . 1 . . . A 1 MET N . 18478 1 24 . 1 1 6 6 THR H H 1 8.4078 0.05 . 1 . . . A 2 THR H . 18478 1 25 . 1 1 6 6 THR HA H 1 4.2806 0.05 . 1 . . . A 2 THR HA . 18478 1 26 . 1 1 6 6 THR HB H 1 4.2134 0.05 . 1 . . . A 2 THR HB . 18478 1 27 . 1 1 6 6 THR HG21 H 1 1.2055 0.05 . 1 . . . A 2 THR HG21 . 18478 1 28 . 1 1 6 6 THR HG22 H 1 1.2055 0.05 . 1 . . . A 2 THR HG22 . 18478 1 29 . 1 1 6 6 THR HG23 H 1 1.2055 0.05 . 1 . . . A 2 THR HG23 . 18478 1 30 . 1 1 6 6 THR C C 13 176.9299 0.5 . 1 . . . A 2 THR C . 18478 1 31 . 1 1 6 6 THR CA C 13 63.0338 0.5 . 1 . . . A 2 THR CA . 18478 1 32 . 1 1 6 6 THR CB C 13 69.3085 0.5 . 1 . . . A 2 THR CB . 18478 1 33 . 1 1 6 6 THR CG2 C 13 21.8832 0.5 . 1 . . . A 2 THR CG2 . 18478 1 34 . 1 1 6 6 THR N N 15 115.8284 0.5 . 1 . . . A 2 THR N . 18478 1 35 . 1 1 7 7 ARG H H 1 8.0987 0.05 . 1 . . . A 3 ARG H . 18478 1 36 . 1 1 7 7 ARG HA H 1 4.2894 0.05 . 1 . . . A 3 ARG HA . 18478 1 37 . 1 1 7 7 ARG HB2 H 1 1.9585 0.05 . 2 . . . A 3 ARG HB2 . 18478 1 38 . 1 1 7 7 ARG HB3 H 1 1.7017 0.05 . 2 . . . A 3 ARG HB3 . 18478 1 39 . 1 1 7 7 ARG HG2 H 1 1.4049 0.05 . 2 . . . A 3 ARG HG2 . 18478 1 40 . 1 1 7 7 ARG HG3 H 1 1.3839 0.05 . 2 . . . A 3 ARG HG3 . 18478 1 41 . 1 1 7 7 ARG HD2 H 1 3.0947 0.05 . 2 . . . A 3 ARG HD2 . 18478 1 42 . 1 1 7 7 ARG HD3 H 1 3.1056 0.05 . 2 . . . A 3 ARG HD3 . 18478 1 43 . 1 1 7 7 ARG C C 13 176.5465 0.5 . 1 . . . A 3 ARG C . 18478 1 44 . 1 1 7 7 ARG CA C 13 55.8363 0.5 . 1 . . . A 3 ARG CA . 18478 1 45 . 1 1 7 7 ARG CB C 13 30.5152 0.5 . 1 . . . A 3 ARG CB . 18478 1 46 . 1 1 7 7 ARG CG C 13 26.5312 0.5 . 1 . . . A 3 ARG CG . 18478 1 47 . 1 1 7 7 ARG CD C 13 43.4195 0.5 . 1 . . . A 3 ARG CD . 18478 1 48 . 1 1 7 7 ARG N N 15 121.4150 0.5 . 1 . . . A 3 ARG N . 18478 1 49 . 1 1 8 8 ASP H H 1 8.0664 0.05 . 1 . . . A 4 ASP H . 18478 1 50 . 1 1 8 8 ASP HA H 1 4.5798 0.05 . 1 . . . A 4 ASP HA . 18478 1 51 . 1 1 8 8 ASP HB2 H 1 2.5712 0.05 . 2 . . . A 4 ASP HB2 . 18478 1 52 . 1 1 8 8 ASP HB3 H 1 2.4102 0.05 . 2 . . . A 4 ASP HB3 . 18478 1 53 . 1 1 8 8 ASP C C 13 177.7505 0.5 . 1 . . . A 4 ASP C . 18478 1 54 . 1 1 8 8 ASP CA C 13 54.0751 0.5 . 1 . . . A 4 ASP CA . 18478 1 55 . 1 1 8 8 ASP CB C 13 45.5835 0.5 . 1 . . . A 4 ASP CB . 18478 1 56 . 1 1 8 8 ASP N N 15 121.7624 0.5 . 1 . . . A 4 ASP N . 18478 1 57 . 1 1 9 9 PHE H H 1 8.1027 0.05 . 1 . . . A 5 PHE H . 18478 1 58 . 1 1 9 9 PHE HA H 1 4.5572 0.05 . 1 . . . A 5 PHE HA . 18478 1 59 . 1 1 9 9 PHE HB2 H 1 2.9886 0.05 . 2 . . . A 5 PHE HB2 . 18478 1 60 . 1 1 9 9 PHE HB3 H 1 2.5283 0.05 . 2 . . . A 5 PHE HB3 . 18478 1 61 . 1 1 9 9 PHE C C 13 176.8376 0.5 . 1 . . . A 5 PHE C . 18478 1 62 . 1 1 9 9 PHE CA C 13 58.3035 0.5 . 1 . . . A 5 PHE CA . 18478 1 63 . 1 1 9 9 PHE CB C 13 41.5941 0.5 . 1 . . . A 5 PHE CB . 18478 1 64 . 1 1 9 9 PHE N N 15 119.9914 0.5 . 1 . . . A 5 PHE N . 18478 1 65 . 1 1 10 10 LYS H H 1 9.0874 0.05 . 1 . . . A 6 LYS H . 18478 1 66 . 1 1 10 10 LYS CA C 13 53.1670 0.5 . 1 . . . A 6 LYS CA . 18478 1 67 . 1 1 10 10 LYS CB C 13 33.4946 0.5 . 1 . . . A 6 LYS CB . 18478 1 68 . 1 1 10 10 LYS N N 15 122.9566 0.5 . 1 . . . A 6 LYS N . 18478 1 69 . 1 1 11 11 PRO HA H 1 3.9500 0.05 . 1 . . . A 7 PRO HA . 18478 1 70 . 1 1 11 11 PRO HB2 H 1 1.8832 0.05 . 2 . . . A 7 PRO HB2 . 18478 1 71 . 1 1 11 11 PRO HB3 H 1 2.0300 0.05 . 2 . . . A 7 PRO HB3 . 18478 1 72 . 1 1 11 11 PRO HD2 H 1 3.6459 0.05 . 2 . . . A 7 PRO HD2 . 18478 1 73 . 1 1 11 11 PRO HD3 H 1 3.9077 0.05 . 2 . . . A 7 PRO HD3 . 18478 1 74 . 1 1 11 11 PRO C C 13 173.9883 0.5 . 1 . . . A 7 PRO C . 18478 1 75 . 1 1 11 11 PRO CA C 13 64.0936 0.5 . 1 . . . A 7 PRO CA . 18478 1 76 . 1 1 11 11 PRO CB C 13 31.6274 0.5 . 1 . . . A 7 PRO CB . 18478 1 77 . 1 1 11 11 PRO CD C 13 50.8891 0.5 . 1 . . . A 7 PRO CD . 18478 1 78 . 1 1 12 12 GLY H H 1 9.6671 0.05 . 1 . . . A 8 GLY H . 18478 1 79 . 1 1 12 12 GLY HA2 H 1 4.4520 0.05 . 2 . . . A 8 GLY HA2 . 18478 1 80 . 1 1 12 12 GLY HA3 H 1 3.4009 0.05 . 2 . . . A 8 GLY HA3 . 18478 1 81 . 1 1 12 12 GLY C C 13 176.9662 0.5 . 1 . . . A 8 GLY C . 18478 1 82 . 1 1 12 12 GLY CA C 13 44.6677 0.5 . 1 . . . A 8 GLY CA . 18478 1 83 . 1 1 12 12 GLY N N 15 115.4132 0.5 . 1 . . . A 8 GLY N . 18478 1 84 . 1 1 13 13 ASP H H 1 8.3032 0.05 . 1 . . . A 9 ASP H . 18478 1 85 . 1 1 13 13 ASP HA H 1 4.6054 0.05 . 1 . . . A 9 ASP HA . 18478 1 86 . 1 1 13 13 ASP HB2 H 1 2.7034 0.05 . 2 . . . A 9 ASP HB2 . 18478 1 87 . 1 1 13 13 ASP HB3 H 1 2.9911 0.05 . 2 . . . A 9 ASP HB3 . 18478 1 88 . 1 1 13 13 ASP C C 13 176.2437 0.5 . 1 . . . A 9 ASP C . 18478 1 89 . 1 1 13 13 ASP CA C 13 55.8698 0.5 . 1 . . . A 9 ASP CA . 18478 1 90 . 1 1 13 13 ASP CB C 13 41.0468 0.5 . 1 . . . A 9 ASP CB . 18478 1 91 . 1 1 13 13 ASP N N 15 122.2080 0.5 . 1 . . . A 9 ASP N . 18478 1 92 . 1 1 14 14 LEU H H 1 8.6179 0.05 . 1 . . . A 10 LEU H . 18478 1 93 . 1 1 14 14 LEU HA H 1 5.0016 0.05 . 1 . . . A 10 LEU HA . 18478 1 94 . 1 1 14 14 LEU HB2 H 1 2.0314 0.05 . 2 . . . A 10 LEU HB2 . 18478 1 95 . 1 1 14 14 LEU HB3 H 1 1.1716 0.05 . 2 . . . A 10 LEU HB3 . 18478 1 96 . 1 1 14 14 LEU HG H 1 1.5862 0.05 . 1 . . . A 10 LEU HG . 18478 1 97 . 1 1 14 14 LEU HD11 H 1 0.9285 0.05 . 2 . . . A 10 LEU HD11 . 18478 1 98 . 1 1 14 14 LEU HD12 H 1 0.9285 0.05 . 2 . . . A 10 LEU HD12 . 18478 1 99 . 1 1 14 14 LEU HD13 H 1 0.9285 0.05 . 2 . . . A 10 LEU HD13 . 18478 1 100 . 1 1 14 14 LEU HD21 H 1 1.1099 0.05 . 2 . . . A 10 LEU HD21 . 18478 1 101 . 1 1 14 14 LEU HD22 H 1 1.1099 0.05 . 2 . . . A 10 LEU HD22 . 18478 1 102 . 1 1 14 14 LEU HD23 H 1 1.1099 0.05 . 2 . . . A 10 LEU HD23 . 18478 1 103 . 1 1 14 14 LEU C C 13 173.4613 0.5 . 1 . . . A 10 LEU C . 18478 1 104 . 1 1 14 14 LEU CA C 13 54.2298 0.5 . 1 . . . A 10 LEU CA . 18478 1 105 . 1 1 14 14 LEU CB C 13 40.9990 0.5 . 1 . . . A 10 LEU CB . 18478 1 106 . 1 1 14 14 LEU CG C 13 26.2851 0.5 . 1 . . . A 10 LEU CG . 18478 1 107 . 1 1 14 14 LEU CD1 C 13 25.1918 0.5 . 2 . . . A 10 LEU CD1 . 18478 1 108 . 1 1 14 14 LEU CD2 C 13 21.7862 0.5 . 2 . . . A 10 LEU CD2 . 18478 1 109 . 1 1 14 14 LEU N N 15 121.3060 0.5 . 1 . . . A 10 LEU N . 18478 1 110 . 1 1 15 15 ILE H H 1 8.8643 0.05 . 1 . . . A 11 ILE H . 18478 1 111 . 1 1 15 15 ILE HA H 1 5.3665 0.05 . 1 . . . A 11 ILE HA . 18478 1 112 . 1 1 15 15 ILE HB H 1 1.9937 0.05 . 1 . . . A 11 ILE HB . 18478 1 113 . 1 1 15 15 ILE HG12 H 1 0.8581 0.05 . 2 . . . A 11 ILE HG12 . 18478 1 114 . 1 1 15 15 ILE HG13 H 1 0.7147 0.05 . 2 . . . A 11 ILE HG13 . 18478 1 115 . 1 1 15 15 ILE HG21 H 1 0.6066 0.05 . 1 . . . A 11 ILE HG21 . 18478 1 116 . 1 1 15 15 ILE HG22 H 1 0.6066 0.05 . 1 . . . A 11 ILE HG22 . 18478 1 117 . 1 1 15 15 ILE HG23 H 1 0.6066 0.05 . 1 . . . A 11 ILE HG23 . 18478 1 118 . 1 1 15 15 ILE HD11 H 1 0.5248 0.05 . 1 . . . A 11 ILE HD11 . 18478 1 119 . 1 1 15 15 ILE HD12 H 1 0.5248 0.05 . 1 . . . A 11 ILE HD12 . 18478 1 120 . 1 1 15 15 ILE HD13 H 1 0.5248 0.05 . 1 . . . A 11 ILE HD13 . 18478 1 121 . 1 1 15 15 ILE C C 13 175.9820 0.5 . 1 . . . A 11 ILE C . 18478 1 122 . 1 1 15 15 ILE CA C 13 60.5289 0.5 . 1 . . . A 11 ILE CA . 18478 1 123 . 1 1 15 15 ILE CB C 13 44.0748 0.5 . 1 . . . A 11 ILE CB . 18478 1 124 . 1 1 15 15 ILE CG1 C 13 26.0211 0.5 . 1 . . . A 11 ILE CG1 . 18478 1 125 . 1 1 15 15 ILE CG2 C 13 18.9700 0.5 . 1 . . . A 11 ILE CG2 . 18478 1 126 . 1 1 15 15 ILE CD1 C 13 16.3099 0.5 . 1 . . . A 11 ILE CD1 . 18478 1 127 . 1 1 15 15 ILE N N 15 118.8062 0.5 . 1 . . . A 11 ILE N . 18478 1 128 . 1 1 16 16 PHE H H 1 9.4108 0.05 . 1 . . . A 12 PHE H . 18478 1 129 . 1 1 16 16 PHE HA H 1 5.3131 0.05 . 1 . . . A 12 PHE HA . 18478 1 130 . 1 1 16 16 PHE HB2 H 1 2.8983 0.05 . 2 . . . A 12 PHE HB2 . 18478 1 131 . 1 1 16 16 PHE HB3 H 1 2.7349 0.05 . 2 . . . A 12 PHE HB3 . 18478 1 132 . 1 1 16 16 PHE C C 13 176.2392 0.5 . 1 . . . A 12 PHE C . 18478 1 133 . 1 1 16 16 PHE CA C 13 58.5545 0.5 . 1 . . . A 12 PHE CA . 18478 1 134 . 1 1 16 16 PHE CB C 13 43.4601 0.5 . 1 . . . A 12 PHE CB . 18478 1 135 . 1 1 16 16 PHE N N 15 112.4720 0.5 . 1 . . . A 12 PHE N . 18478 1 136 . 1 1 17 17 ALA H H 1 9.6582 0.05 . 1 . . . A 13 ALA H . 18478 1 137 . 1 1 17 17 ALA HA H 1 5.3625 0.05 . 1 . . . A 13 ALA HA . 18478 1 138 . 1 1 17 17 ALA HB1 H 1 1.0459 0.05 . 1 . . . A 13 ALA HB1 . 18478 1 139 . 1 1 17 17 ALA HB2 H 1 1.0459 0.05 . 1 . . . A 13 ALA HB2 . 18478 1 140 . 1 1 17 17 ALA HB3 H 1 1.0459 0.05 . 1 . . . A 13 ALA HB3 . 18478 1 141 . 1 1 17 17 ALA C C 13 174.4262 0.5 . 1 . . . A 13 ALA C . 18478 1 142 . 1 1 17 17 ALA CA C 13 50.0686 0.5 . 1 . . . A 13 ALA CA . 18478 1 143 . 1 1 17 17 ALA CB C 13 23.6009 0.5 . 1 . . . A 13 ALA CB . 18478 1 144 . 1 1 17 17 ALA N N 15 123.8890 0.5 . 1 . . . A 13 ALA N . 18478 1 145 . 1 1 18 18 LYS H H 1 9.4206 0.05 . 1 . . . A 14 LYS H . 18478 1 146 . 1 1 18 18 LYS HA H 1 4.7099 0.05 . 1 . . . A 14 LYS HA . 18478 1 147 . 1 1 18 18 LYS HB2 H 1 2.1375 0.05 . 2 . . . A 14 LYS HB2 . 18478 1 148 . 1 1 18 18 LYS HB3 H 1 1.0277 0.05 . 2 . . . A 14 LYS HB3 . 18478 1 149 . 1 1 18 18 LYS HG2 H 1 1.1377 0.05 . 2 . . . A 14 LYS HG2 . 18478 1 150 . 1 1 18 18 LYS HD2 H 1 1.5302 0.05 . 2 . . . A 14 LYS HD2 . 18478 1 151 . 1 1 18 18 LYS HD3 H 1 0.0423 0.05 . 2 . . . A 14 LYS HD3 . 18478 1 152 . 1 1 18 18 LYS HE2 H 1 2.7409 0.05 . 2 . . . A 14 LYS HE2 . 18478 1 153 . 1 1 18 18 LYS HE3 H 1 3.0563 0.05 . 2 . . . A 14 LYS HE3 . 18478 1 154 . 1 1 18 18 LYS C C 13 178.5541 0.5 . 1 . . . A 14 LYS C . 18478 1 155 . 1 1 18 18 LYS CA C 13 53.8927 0.5 . 1 . . . A 14 LYS CA . 18478 1 156 . 1 1 18 18 LYS CB C 13 35.1979 0.5 . 1 . . . A 14 LYS CB . 18478 1 157 . 1 1 18 18 LYS CG C 13 24.6822 0.5 . 1 . . . A 14 LYS CG . 18478 1 158 . 1 1 18 18 LYS CD C 13 27.7017 0.5 . 1 . . . A 14 LYS CD . 18478 1 159 . 1 1 18 18 LYS CE C 13 43.2441 0.5 . 1 . . . A 14 LYS CE . 18478 1 160 . 1 1 18 18 LYS N N 15 127.7604 0.5 . 1 . . . A 14 LYS N . 18478 1 161 . 1 1 19 19 MET H H 1 8.6874 0.05 . 1 . . . A 15 MET H . 18478 1 162 . 1 1 19 19 MET HA H 1 4.6753 0.05 . 1 . . . A 15 MET HA . 18478 1 163 . 1 1 19 19 MET HB2 H 1 1.9198 0.05 . 2 . . . A 15 MET HB2 . 18478 1 164 . 1 1 19 19 MET HB3 H 1 1.7377 0.05 . 2 . . . A 15 MET HB3 . 18478 1 165 . 1 1 19 19 MET HG2 H 1 2.2925 0.05 . 2 . . . A 15 MET HG2 . 18478 1 166 . 1 1 19 19 MET HG3 H 1 2.2041 0.05 . 2 . . . A 15 MET HG3 . 18478 1 167 . 1 1 19 19 MET C C 13 175.7406 0.5 . 1 . . . A 15 MET C . 18478 1 168 . 1 1 19 19 MET CA C 13 53.9165 0.5 . 1 . . . A 15 MET CA . 18478 1 169 . 1 1 19 19 MET CB C 13 35.6661 0.5 . 1 . . . A 15 MET CB . 18478 1 170 . 1 1 19 19 MET CG C 13 31.9504 0.5 . 1 . . . A 15 MET CG . 18478 1 171 . 1 1 19 19 MET N N 15 125.9897 0.5 . 1 . . . A 15 MET N . 18478 1 172 . 1 1 20 20 LYS H H 1 8.6446 0.05 . 1 . . . A 16 LYS H . 18478 1 173 . 1 1 20 20 LYS CA C 13 58.5848 0.5 . 1 . . . A 16 LYS CA . 18478 1 174 . 1 1 20 20 LYS CB C 13 31.9778 0.5 . 1 . . . A 16 LYS CB . 18478 1 175 . 1 1 20 20 LYS N N 15 124.0616 0.5 . 1 . . . A 16 LYS N . 18478 1 176 . 1 1 21 21 GLY HA2 H 1 4.0842 0.05 . 2 . . . A 17 GLY HA2 . 18478 1 177 . 1 1 21 21 GLY HA3 H 1 3.6301 0.05 . 2 . . . A 17 GLY HA3 . 18478 1 178 . 1 1 21 21 GLY C C 13 176.2051 0.5 . 1 . . . A 17 GLY C . 18478 1 179 . 1 1 21 21 GLY CA C 13 45.1416 0.5 . 1 . . . A 17 GLY CA . 18478 1 180 . 1 1 22 22 TYR H H 1 8.1057 0.05 . 1 . . . A 18 TYR H . 18478 1 181 . 1 1 22 22 TYR HA H 1 4.5732 0.05 . 1 . . . A 18 TYR HA . 18478 1 182 . 1 1 22 22 TYR HB2 H 1 2.4467 0.05 . 2 . . . A 18 TYR HB2 . 18478 1 183 . 1 1 22 22 TYR CA C 13 55.7485 0.5 . 1 . . . A 18 TYR CA . 18478 1 184 . 1 1 22 22 TYR CB C 13 41.0330 0.5 . 1 . . . A 18 TYR CB . 18478 1 185 . 1 1 22 22 TYR N N 15 119.8439 0.5 . 1 . . . A 18 TYR N . 18478 1 186 . 1 1 23 23 PRO HA H 1 4.7714 0.05 . 1 . . . A 19 PRO HA . 18478 1 187 . 1 1 23 23 PRO HB2 H 1 2.0157 0.05 . 2 . . . A 19 PRO HB2 . 18478 1 188 . 1 1 23 23 PRO HB3 H 1 2.3353 0.05 . 2 . . . A 19 PRO HB3 . 18478 1 189 . 1 1 23 23 PRO C C 13 174.5869 0.5 . 1 . . . A 19 PRO C . 18478 1 190 . 1 1 23 23 PRO CA C 13 62.0720 0.5 . 1 . . . A 19 PRO CA . 18478 1 191 . 1 1 23 23 PRO CB C 13 31.5602 0.5 . 1 . . . A 19 PRO CB . 18478 1 192 . 1 1 24 24 HIS H H 1 8.1578 0.05 . 1 . . . A 20 HIS H . 18478 1 193 . 1 1 24 24 HIS HA H 1 3.9396 0.05 . 1 . . . A 20 HIS HA . 18478 1 194 . 1 1 24 24 HIS HB2 H 1 2.4129 0.05 . 2 . . . A 20 HIS HB2 . 18478 1 195 . 1 1 24 24 HIS HB3 H 1 2.0870 0.05 . 2 . . . A 20 HIS HB3 . 18478 1 196 . 1 1 24 24 HIS C C 13 175.5550 0.5 . 1 . . . A 20 HIS C . 18478 1 197 . 1 1 24 24 HIS CA C 13 60.8190 0.5 . 1 . . . A 20 HIS CA . 18478 1 198 . 1 1 24 24 HIS CB C 13 30.6888 0.5 . 1 . . . A 20 HIS CB . 18478 1 199 . 1 1 24 24 HIS N N 15 119.1900 0.5 . 1 . . . A 20 HIS N . 18478 1 200 . 1 1 25 25 TRP H H 1 9.2106 0.05 . 1 . . . A 21 TRP H . 18478 1 201 . 1 1 25 25 TRP HA H 1 5.4652 0.05 . 1 . . . A 21 TRP HA . 18478 1 202 . 1 1 25 25 TRP HB2 H 1 3.9879 0.05 . 2 . . . A 21 TRP HB2 . 18478 1 203 . 1 1 25 25 TRP HB3 H 1 3.6624 0.05 . 2 . . . A 21 TRP HB3 . 18478 1 204 . 1 1 25 25 TRP CA C 13 55.8904 0.5 . 1 . . . A 21 TRP CA . 18478 1 205 . 1 1 25 25 TRP CB C 13 32.9829 0.5 . 1 . . . A 21 TRP CB . 18478 1 206 . 1 1 25 25 TRP N N 15 127.4352 0.5 . 1 . . . A 21 TRP N . 18478 1 207 . 1 1 26 26 PRO HA H 1 4.2626 0.05 . 1 . . . A 22 PRO HA . 18478 1 208 . 1 1 26 26 PRO HB2 H 1 1.6242 0.05 . 2 . . . A 22 PRO HB2 . 18478 1 209 . 1 1 26 26 PRO HB3 H 1 1.9001 0.05 . 2 . . . A 22 PRO HB3 . 18478 1 210 . 1 1 26 26 PRO C C 13 176.2790 0.5 . 1 . . . A 22 PRO C . 18478 1 211 . 1 1 26 26 PRO CA C 13 62.9808 0.5 . 1 . . . A 22 PRO CA . 18478 1 212 . 1 1 26 26 PRO CB C 13 32.1041 0.5 . 1 . . . A 22 PRO CB . 18478 1 213 . 1 1 27 27 ALA H H 1 9.3943 0.05 . 1 . . . A 23 ALA H . 18478 1 214 . 1 1 27 27 ALA HA H 1 4.9814 0.05 . 1 . . . A 23 ALA HA . 18478 1 215 . 1 1 27 27 ALA HB1 H 1 0.8380 0.05 . 1 . . . A 23 ALA HB1 . 18478 1 216 . 1 1 27 27 ALA HB2 H 1 0.8380 0.05 . 1 . . . A 23 ALA HB2 . 18478 1 217 . 1 1 27 27 ALA HB3 H 1 0.8380 0.05 . 1 . . . A 23 ALA HB3 . 18478 1 218 . 1 1 27 27 ALA C C 13 177.2267 0.5 . 1 . . . A 23 ALA C . 18478 1 219 . 1 1 27 27 ALA CA C 13 52.5741 0.5 . 1 . . . A 23 ALA CA . 18478 1 220 . 1 1 27 27 ALA CB C 13 23.1822 0.5 . 1 . . . A 23 ALA CB . 18478 1 221 . 1 1 27 27 ALA N N 15 130.1616 0.5 . 1 . . . A 23 ALA N . 18478 1 222 . 1 1 28 28 ARG H H 1 8.8060 0.05 . 1 . . . A 24 ARG H . 18478 1 223 . 1 1 28 28 ARG HA H 1 5.4305 0.05 . 1 . . . A 24 ARG HA . 18478 1 224 . 1 1 28 28 ARG HB3 H 1 1.6174 0.05 . 2 . . . A 24 ARG HB3 . 18478 1 225 . 1 1 28 28 ARG HG2 H 1 1.4135 0.05 . 2 . . . A 24 ARG HG2 . 18478 1 226 . 1 1 28 28 ARG HG3 H 1 1.2672 0.05 . 2 . . . A 24 ARG HG3 . 18478 1 227 . 1 1 28 28 ARG HD3 H 1 3.1192 0.05 . 2 . . . A 24 ARG HD3 . 18478 1 228 . 1 1 28 28 ARG C C 13 176.4650 0.5 . 1 . . . A 24 ARG C . 18478 1 229 . 1 1 28 28 ARG CA C 13 53.6617 0.5 . 1 . . . A 24 ARG CA . 18478 1 230 . 1 1 28 28 ARG CB C 13 35.0582 0.5 . 1 . . . A 24 ARG CB . 18478 1 231 . 1 1 28 28 ARG CG C 13 26.6406 0.5 . 1 . . . A 24 ARG CG . 18478 1 232 . 1 1 28 28 ARG CD C 13 43.4107 0.5 . 1 . . . A 24 ARG CD . 18478 1 233 . 1 1 28 28 ARG N N 15 117.3806 0.5 . 1 . . . A 24 ARG N . 18478 1 234 . 1 1 29 29 VAL H H 1 8.3813 0.05 . 1 . . . A 25 VAL H . 18478 1 235 . 1 1 29 29 VAL HA H 1 4.1039 0.05 . 1 . . . A 25 VAL HA . 18478 1 236 . 1 1 29 29 VAL HB H 1 2.2540 0.05 . 1 . . . A 25 VAL HB . 18478 1 237 . 1 1 29 29 VAL HG11 H 1 0.8338 0.05 . 2 . . . A 25 VAL HG11 . 18478 1 238 . 1 1 29 29 VAL HG12 H 1 0.8338 0.05 . 2 . . . A 25 VAL HG12 . 18478 1 239 . 1 1 29 29 VAL HG13 H 1 0.8338 0.05 . 2 . . . A 25 VAL HG13 . 18478 1 240 . 1 1 29 29 VAL HG21 H 1 0.7481 0.05 . 2 . . . A 25 VAL HG21 . 18478 1 241 . 1 1 29 29 VAL HG22 H 1 0.7481 0.05 . 2 . . . A 25 VAL HG22 . 18478 1 242 . 1 1 29 29 VAL HG23 H 1 0.7481 0.05 . 2 . . . A 25 VAL HG23 . 18478 1 243 . 1 1 29 29 VAL C C 13 175.9963 0.5 . 1 . . . A 25 VAL C . 18478 1 244 . 1 1 29 29 VAL CA C 13 62.8308 0.5 . 1 . . . A 25 VAL CA . 18478 1 245 . 1 1 29 29 VAL CB C 13 31.0508 0.5 . 1 . . . A 25 VAL CB . 18478 1 246 . 1 1 29 29 VAL CG1 C 13 21.6751 0.5 . 2 . . . A 25 VAL CG1 . 18478 1 247 . 1 1 29 29 VAL CG2 C 13 21.7700 0.5 . 2 . . . A 25 VAL CG2 . 18478 1 248 . 1 1 29 29 VAL N N 15 124.0183 0.5 . 1 . . . A 25 VAL N . 18478 1 249 . 1 1 30 30 ASP H H 1 8.8917 0.05 . 1 . . . A 26 ASP H . 18478 1 250 . 1 1 30 30 ASP HA H 1 5.2083 0.05 . 1 . . . A 26 ASP HA . 18478 1 251 . 1 1 30 30 ASP HB2 H 1 2.2031 0.05 . 2 . . . A 26 ASP HB2 . 18478 1 252 . 1 1 30 30 ASP HB3 H 1 2.7236 0.05 . 2 . . . A 26 ASP HB3 . 18478 1 253 . 1 1 30 30 ASP C C 13 176.2072 0.5 . 1 . . . A 26 ASP C . 18478 1 254 . 1 1 30 30 ASP CA C 13 53.0090 0.5 . 1 . . . A 26 ASP CA . 18478 1 255 . 1 1 30 30 ASP CB C 13 44.1252 0.5 . 1 . . . A 26 ASP CB . 18478 1 256 . 1 1 30 30 ASP N N 15 133.8466 0.5 . 1 . . . A 26 ASP N . 18478 1 257 . 1 1 31 31 GLU H H 1 7.9661 0.05 . 1 . . . A 27 GLU H . 18478 1 258 . 1 1 31 31 GLU HA H 1 4.4263 0.05 . 1 . . . A 27 GLU HA . 18478 1 259 . 1 1 31 31 GLU HB2 H 1 1.7899 0.05 . 2 . . . A 27 GLU HB2 . 18478 1 260 . 1 1 31 31 GLU HB3 H 1 1.9005 0.05 . 2 . . . A 27 GLU HB3 . 18478 1 261 . 1 1 31 31 GLU HG2 H 1 2.1505 0.05 . 2 . . . A 27 GLU HG2 . 18478 1 262 . 1 1 31 31 GLU HG3 H 1 2.1655 0.05 . 2 . . . A 27 GLU HG3 . 18478 1 263 . 1 1 31 31 GLU C C 13 175.1921 0.5 . 1 . . . A 27 GLU C . 18478 1 264 . 1 1 31 31 GLU CA C 13 55.3215 0.5 . 1 . . . A 27 GLU CA . 18478 1 265 . 1 1 31 31 GLU CB C 13 31.6511 0.5 . 1 . . . A 27 GLU CB . 18478 1 266 . 1 1 31 31 GLU CG C 13 36.2452 0.5 . 1 . . . A 27 GLU CG . 18478 1 267 . 1 1 31 31 GLU N N 15 115.9055 0.5 . 1 . . . A 27 GLU N . 18478 1 268 . 1 1 32 32 VAL H H 1 8.7020 0.05 . 1 . . . A 28 VAL H . 18478 1 269 . 1 1 32 32 VAL HA H 1 4.2598 0.05 . 1 . . . A 28 VAL HA . 18478 1 270 . 1 1 32 32 VAL HB H 1 2.1247 0.05 . 1 . . . A 28 VAL HB . 18478 1 271 . 1 1 32 32 VAL HG11 H 1 1.0325 0.05 . 2 . . . A 28 VAL HG11 . 18478 1 272 . 1 1 32 32 VAL HG12 H 1 1.0325 0.05 . 2 . . . A 28 VAL HG12 . 18478 1 273 . 1 1 32 32 VAL HG13 H 1 1.0325 0.05 . 2 . . . A 28 VAL HG13 . 18478 1 274 . 1 1 32 32 VAL HG21 H 1 0.9122 0.05 . 2 . . . A 28 VAL HG21 . 18478 1 275 . 1 1 32 32 VAL HG22 H 1 0.9122 0.05 . 2 . . . A 28 VAL HG22 . 18478 1 276 . 1 1 32 32 VAL HG23 H 1 0.9122 0.05 . 2 . . . A 28 VAL HG23 . 18478 1 277 . 1 1 32 32 VAL CA C 13 60.4923 0.5 . 1 . . . A 28 VAL CA . 18478 1 278 . 1 1 32 32 VAL CB C 13 32.0057 0.5 . 1 . . . A 28 VAL CB . 18478 1 279 . 1 1 32 32 VAL CG1 C 13 21.4870 0.5 . 2 . . . A 28 VAL CG1 . 18478 1 280 . 1 1 32 32 VAL N N 15 122.7940 0.5 . 1 . . . A 28 VAL N . 18478 1 281 . 1 1 33 33 PRO HA H 1 4.5840 0.05 . 1 . . . A 29 PRO HA . 18478 1 282 . 1 1 33 33 PRO HB2 H 1 1.8655 0.05 . 2 . . . A 29 PRO HB2 . 18478 1 283 . 1 1 33 33 PRO HB3 H 1 1.8827 0.05 . 2 . . . A 29 PRO HB3 . 18478 1 284 . 1 1 33 33 PRO HG2 H 1 2.0029 0.05 . 2 . . . A 29 PRO HG2 . 18478 1 285 . 1 1 33 33 PRO HG3 H 1 1.7418 0.05 . 2 . . . A 29 PRO HG3 . 18478 1 286 . 1 1 33 33 PRO C C 13 175.3664 0.5 . 1 . . . A 29 PRO C . 18478 1 287 . 1 1 33 33 PRO CA C 13 63.7024 0.5 . 1 . . . A 29 PRO CA . 18478 1 288 . 1 1 33 33 PRO CB C 13 32.7314 0.5 . 1 . . . A 29 PRO CB . 18478 1 289 . 1 1 33 33 PRO CG C 13 27.2003 0.5 . 1 . . . A 29 PRO CG . 18478 1 290 . 1 1 34 34 ASP H H 1 8.6856 0.05 . 1 . . . A 30 ASP H . 18478 1 291 . 1 1 34 34 ASP HA H 1 2.8238 0.05 . 1 . . . A 30 ASP HA . 18478 1 292 . 1 1 34 34 ASP HB2 H 1 2.4675 0.05 . 2 . . . A 30 ASP HB2 . 18478 1 293 . 1 1 34 34 ASP HB3 H 1 2.1474 0.05 . 2 . . . A 30 ASP HB3 . 18478 1 294 . 1 1 34 34 ASP C C 13 175.7135 0.5 . 1 . . . A 30 ASP C . 18478 1 295 . 1 1 34 34 ASP CA C 13 53.0131 0.5 . 1 . . . A 30 ASP CA . 18478 1 296 . 1 1 34 34 ASP CB C 13 40.9070 0.5 . 1 . . . A 30 ASP CB . 18478 1 297 . 1 1 34 34 ASP N N 15 119.1866 0.5 . 1 . . . A 30 ASP N . 18478 1 298 . 1 1 35 35 GLY H H 1 6.9847 0.05 . 1 . . . A 31 GLY H . 18478 1 299 . 1 1 35 35 GLY HA2 H 1 4.1162 0.05 . 2 . . . A 31 GLY HA2 . 18478 1 300 . 1 1 35 35 GLY HA3 H 1 3.8144 0.05 . 2 . . . A 31 GLY HA3 . 18478 1 301 . 1 1 35 35 GLY C C 13 177.4577 0.5 . 1 . . . A 31 GLY C . 18478 1 302 . 1 1 35 35 GLY CA C 13 45.3644 0.5 . 1 . . . A 31 GLY CA . 18478 1 303 . 1 1 35 35 GLY N N 15 110.1646 0.5 . 1 . . . A 31 GLY N . 18478 1 304 . 1 1 36 36 ALA H H 1 7.8334 0.05 . 1 . . . A 32 ALA H . 18478 1 305 . 1 1 36 36 ALA HA H 1 4.4071 0.05 . 1 . . . A 32 ALA HA . 18478 1 306 . 1 1 36 36 ALA HB1 H 1 1.4196 0.05 . 1 . . . A 32 ALA HB1 . 18478 1 307 . 1 1 36 36 ALA HB2 H 1 1.4196 0.05 . 1 . . . A 32 ALA HB2 . 18478 1 308 . 1 1 36 36 ALA HB3 H 1 1.4196 0.05 . 1 . . . A 32 ALA HB3 . 18478 1 309 . 1 1 36 36 ALA CA C 13 51.9481 0.5 . 1 . . . A 32 ALA CA . 18478 1 310 . 1 1 36 36 ALA CB C 13 19.8860 0.5 . 1 . . . A 32 ALA CB . 18478 1 311 . 1 1 36 36 ALA N N 15 122.9295 0.5 . 1 . . . A 32 ALA N . 18478 1 312 . 1 1 37 37 VAL H H 1 8.0375 0.05 . 1 . . . A 33 VAL H . 18478 1 313 . 1 1 37 37 VAL HA H 1 3.9394 0.05 . 1 . . . A 33 VAL HA . 18478 1 314 . 1 1 37 37 VAL HB H 1 2.0289 0.05 . 1 . . . A 33 VAL HB . 18478 1 315 . 1 1 37 37 VAL HG11 H 1 0.9805 0.05 . 2 . . . A 33 VAL HG11 . 18478 1 316 . 1 1 37 37 VAL HG12 H 1 0.9805 0.05 . 2 . . . A 33 VAL HG12 . 18478 1 317 . 1 1 37 37 VAL HG13 H 1 0.9805 0.05 . 2 . . . A 33 VAL HG13 . 18478 1 318 . 1 1 37 37 VAL C C 13 175.9656 0.5 . 1 . . . A 33 VAL C . 18478 1 319 . 1 1 37 37 VAL CA C 13 62.8290 0.5 . 1 . . . A 33 VAL CA . 18478 1 320 . 1 1 37 37 VAL CB C 13 32.1661 0.5 . 1 . . . A 33 VAL CB . 18478 1 321 . 1 1 37 37 VAL CG1 C 13 21.0722 0.5 . 2 . . . A 33 VAL CG1 . 18478 1 322 . 1 1 37 37 VAL N N 15 119.5936 0.5 . 1 . . . A 33 VAL N . 18478 1 323 . 1 1 38 38 LYS H H 1 8.2921 0.05 . 1 . . . A 34 LYS H . 18478 1 324 . 1 1 38 38 LYS C C 13 173.8648 0.5 . 1 . . . A 34 LYS C . 18478 1 325 . 1 1 38 38 LYS CA C 13 54.2778 0.5 . 1 . . . A 34 LYS CA . 18478 1 326 . 1 1 38 38 LYS CB C 13 31.7400 0.5 . 1 . . . A 34 LYS CB . 18478 1 327 . 1 1 38 38 LYS N N 15 125.6763 0.5 . 1 . . . A 34 LYS N . 18478 1 328 . 1 1 40 40 PRO HA H 1 4.4039 0.05 . 1 . . . A 36 PRO HA . 18478 1 329 . 1 1 40 40 PRO HB2 H 1 1.6706 0.05 . 2 . . . A 36 PRO HB2 . 18478 1 330 . 1 1 40 40 PRO HB3 H 1 2.2760 0.05 . 2 . . . A 36 PRO HB3 . 18478 1 331 . 1 1 40 40 PRO HD3 H 1 3.6436 0.05 . 2 . . . A 36 PRO HD3 . 18478 1 332 . 1 1 40 40 PRO C C 13 175.5355 0.5 . 1 . . . A 36 PRO C . 18478 1 333 . 1 1 40 40 PRO CA C 13 62.4597 0.5 . 1 . . . A 36 PRO CA . 18478 1 334 . 1 1 40 40 PRO CB C 13 32.0057 0.5 . 1 . . . A 36 PRO CB . 18478 1 335 . 1 1 40 40 PRO CD C 13 50.4487 0.5 . 1 . . . A 36 PRO CD . 18478 1 336 . 1 1 41 41 THR H H 1 8.0861 0.05 . 1 . . . A 37 THR H . 18478 1 337 . 1 1 41 41 THR HA H 1 3.9957 0.05 . 1 . . . A 37 THR HA . 18478 1 338 . 1 1 41 41 THR HB H 1 4.0606 0.05 . 1 . . . A 37 THR HB . 18478 1 339 . 1 1 41 41 THR HG21 H 1 1.2449 0.05 . 1 . . . A 37 THR HG21 . 18478 1 340 . 1 1 41 41 THR HG22 H 1 1.2449 0.05 . 1 . . . A 37 THR HG22 . 18478 1 341 . 1 1 41 41 THR HG23 H 1 1.2449 0.05 . 1 . . . A 37 THR HG23 . 18478 1 342 . 1 1 41 41 THR C C 13 176.7949 0.5 . 1 . . . A 37 THR C . 18478 1 343 . 1 1 41 41 THR CA C 13 63.6927 0.5 . 1 . . . A 37 THR CA . 18478 1 344 . 1 1 41 41 THR CB C 13 69.4358 0.5 . 1 . . . A 37 THR CB . 18478 1 345 . 1 1 41 41 THR CG2 C 13 21.7698 0.5 . 1 . . . A 37 THR CG2 . 18478 1 346 . 1 1 41 41 THR N N 15 113.9433 0.5 . 1 . . . A 37 THR N . 18478 1 347 . 1 1 42 42 ASN H H 1 8.7518 0.05 . 1 . . . A 38 ASN H . 18478 1 348 . 1 1 42 42 ASN HA H 1 4.5322 0.05 . 1 . . . A 38 ASN HA . 18478 1 349 . 1 1 42 42 ASN HB2 H 1 3.0270 0.05 . 2 . . . A 38 ASN HB2 . 18478 1 350 . 1 1 42 42 ASN HB3 H 1 3.1550 0.05 . 2 . . . A 38 ASN HB3 . 18478 1 351 . 1 1 42 42 ASN C C 13 177.2303 0.5 . 1 . . . A 38 ASN C . 18478 1 352 . 1 1 42 42 ASN CA C 13 56.3731 0.5 . 1 . . . A 38 ASN CA . 18478 1 353 . 1 1 42 42 ASN CB C 13 37.3339 0.5 . 1 . . . A 38 ASN CB . 18478 1 354 . 1 1 42 42 ASN N N 15 118.5134 0.5 . 1 . . . A 38 ASN N . 18478 1 355 . 1 1 43 43 LYS H H 1 7.7232 0.05 . 1 . . . A 39 LYS H . 18478 1 356 . 1 1 43 43 LYS HA H 1 4.7246 0.05 . 1 . . . A 39 LYS HA . 18478 1 357 . 1 1 43 43 LYS HB2 H 1 1.5596 0.05 . 2 . . . A 39 LYS HB2 . 18478 1 358 . 1 1 43 43 LYS HB3 H 1 1.5765 0.05 . 2 . . . A 39 LYS HB3 . 18478 1 359 . 1 1 43 43 LYS HG2 H 1 1.1291 0.05 . 2 . . . A 39 LYS HG2 . 18478 1 360 . 1 1 43 43 LYS HD2 H 1 1.3459 0.05 . 2 . . . A 39 LYS HD2 . 18478 1 361 . 1 1 43 43 LYS HE2 H 1 2.9319 0.05 . 2 . . . A 39 LYS HE2 . 18478 1 362 . 1 1 43 43 LYS C C 13 177.0318 0.5 . 1 . . . A 39 LYS C . 18478 1 363 . 1 1 43 43 LYS CA C 13 54.9573 0.5 . 1 . . . A 39 LYS CA . 18478 1 364 . 1 1 43 43 LYS CB C 13 36.6000 0.5 . 1 . . . A 39 LYS CB . 18478 1 365 . 1 1 43 43 LYS CG C 13 25.9522 0.5 . 1 . . . A 39 LYS CG . 18478 1 366 . 1 1 43 43 LYS CD C 13 29.2819 0.5 . 1 . . . A 39 LYS CD . 18478 1 367 . 1 1 43 43 LYS CE C 13 42.2174 0.5 . 1 . . . A 39 LYS CE . 18478 1 368 . 1 1 43 43 LYS N N 15 115.8983 0.5 . 1 . . . A 39 LYS N . 18478 1 369 . 1 1 44 44 LEU H H 1 9.0629 0.05 . 1 . . . A 40 LEU H . 18478 1 370 . 1 1 44 44 LEU HA H 1 4.9948 0.05 . 1 . . . A 40 LEU HA . 18478 1 371 . 1 1 44 44 LEU HB2 H 1 1.3013 0.05 . 2 . . . A 40 LEU HB2 . 18478 1 372 . 1 1 44 44 LEU HB3 H 1 1.4937 0.05 . 2 . . . A 40 LEU HB3 . 18478 1 373 . 1 1 44 44 LEU HG H 1 1.6070 0.05 . 1 . . . A 40 LEU HG . 18478 1 374 . 1 1 44 44 LEU HD11 H 1 0.8472 0.05 . 2 . . . A 40 LEU HD11 . 18478 1 375 . 1 1 44 44 LEU HD12 H 1 0.8472 0.05 . 2 . . . A 40 LEU HD12 . 18478 1 376 . 1 1 44 44 LEU HD13 H 1 0.8472 0.05 . 2 . . . A 40 LEU HD13 . 18478 1 377 . 1 1 44 44 LEU HD21 H 1 0.9351 0.05 . 2 . . . A 40 LEU HD21 . 18478 1 378 . 1 1 44 44 LEU HD22 H 1 0.9351 0.05 . 2 . . . A 40 LEU HD22 . 18478 1 379 . 1 1 44 44 LEU HD23 H 1 0.9351 0.05 . 2 . . . A 40 LEU HD23 . 18478 1 380 . 1 1 44 44 LEU CA C 13 51.8782 0.5 . 1 . . . A 40 LEU CA . 18478 1 381 . 1 1 44 44 LEU CB C 13 44.4143 0.5 . 1 . . . A 40 LEU CB . 18478 1 382 . 1 1 44 44 LEU CG C 13 27.6025 0.5 . 1 . . . A 40 LEU CG . 18478 1 383 . 1 1 44 44 LEU CD1 C 13 25.8222 0.5 . 2 . . . A 40 LEU CD1 . 18478 1 384 . 1 1 44 44 LEU CD2 C 13 24.1940 0.5 . 2 . . . A 40 LEU CD2 . 18478 1 385 . 1 1 44 44 LEU N N 15 121.0064 0.5 . 1 . . . A 40 LEU N . 18478 1 386 . 1 1 45 45 PRO HA H 1 4.4142 0.05 . 1 . . . A 41 PRO HA . 18478 1 387 . 1 1 45 45 PRO HB2 H 1 1.6770 0.05 . 2 . . . A 41 PRO HB2 . 18478 1 388 . 1 1 45 45 PRO HB3 H 1 1.9027 0.05 . 2 . . . A 41 PRO HB3 . 18478 1 389 . 1 1 45 45 PRO HG2 H 1 1.8577 0.05 . 2 . . . A 41 PRO HG2 . 18478 1 390 . 1 1 45 45 PRO C C 13 177.0506 0.5 . 1 . . . A 41 PRO C . 18478 1 391 . 1 1 45 45 PRO CA C 13 62.0987 0.5 . 1 . . . A 41 PRO CA . 18478 1 392 . 1 1 45 45 PRO CB C 13 30.5857 0.5 . 1 . . . A 41 PRO CB . 18478 1 393 . 1 1 45 45 PRO CG C 13 27.4188 0.5 . 1 . . . A 41 PRO CG . 18478 1 394 . 1 1 46 46 ILE H H 1 8.9077 0.05 . 1 . . . A 42 ILE H . 18478 1 395 . 1 1 46 46 ILE HA H 1 4.5738 0.05 . 1 . . . A 42 ILE HA . 18478 1 396 . 1 1 46 46 ILE HB H 1 1.7792 0.05 . 1 . . . A 42 ILE HB . 18478 1 397 . 1 1 46 46 ILE HG12 H 1 0.7833 0.05 . 2 . . . A 42 ILE HG12 . 18478 1 398 . 1 1 46 46 ILE HG21 H 1 0.0242 0.05 . 1 . . . A 42 ILE HG21 . 18478 1 399 . 1 1 46 46 ILE HG22 H 1 0.0242 0.05 . 1 . . . A 42 ILE HG22 . 18478 1 400 . 1 1 46 46 ILE HG23 H 1 0.0242 0.05 . 1 . . . A 42 ILE HG23 . 18478 1 401 . 1 1 46 46 ILE HD11 H 1 0.3994 0.05 . 1 . . . A 42 ILE HD11 . 18478 1 402 . 1 1 46 46 ILE HD12 H 1 0.3994 0.05 . 1 . . . A 42 ILE HD12 . 18478 1 403 . 1 1 46 46 ILE HD13 H 1 0.3994 0.05 . 1 . . . A 42 ILE HD13 . 18478 1 404 . 1 1 46 46 ILE C C 13 176.9849 0.5 . 1 . . . A 42 ILE C . 18478 1 405 . 1 1 46 46 ILE CA C 13 57.1260 0.5 . 1 . . . A 42 ILE CA . 18478 1 406 . 1 1 46 46 ILE CB C 13 37.3131 0.5 . 1 . . . A 42 ILE CB . 18478 1 407 . 1 1 46 46 ILE CG2 C 13 19.8328 0.5 . 1 . . . A 42 ILE CG2 . 18478 1 408 . 1 1 46 46 ILE CD1 C 13 10.5186 0.5 . 1 . . . A 42 ILE CD1 . 18478 1 409 . 1 1 46 46 ILE N N 15 125.9960 0.5 . 1 . . . A 42 ILE N . 18478 1 410 . 1 1 47 47 PHE H H 1 8.7386 0.05 . 1 . . . A 43 PHE H . 18478 1 411 . 1 1 47 47 PHE HA H 1 4.8421 0.05 . 1 . . . A 43 PHE HA . 18478 1 412 . 1 1 47 47 PHE HB2 H 1 2.4485 0.05 . 2 . . . A 43 PHE HB2 . 18478 1 413 . 1 1 47 47 PHE HB3 H 1 2.8965 0.05 . 2 . . . A 43 PHE HB3 . 18478 1 414 . 1 1 47 47 PHE C C 13 177.8346 0.5 . 1 . . . A 43 PHE C . 18478 1 415 . 1 1 47 47 PHE CA C 13 56.0990 0.5 . 1 . . . A 43 PHE CA . 18478 1 416 . 1 1 47 47 PHE CB C 13 41.1811 0.5 . 1 . . . A 43 PHE CB . 18478 1 417 . 1 1 47 47 PHE N N 15 128.2759 0.5 . 1 . . . A 43 PHE N . 18478 1 418 . 1 1 48 48 PHE H H 1 8.5450 0.05 . 1 . . . A 44 PHE H . 18478 1 419 . 1 1 48 48 PHE HA H 1 4.2215 0.05 . 1 . . . A 44 PHE HA . 18478 1 420 . 1 1 48 48 PHE HB2 H 1 2.4078 0.05 . 2 . . . A 44 PHE HB2 . 18478 1 421 . 1 1 48 48 PHE HB3 H 1 2.4158 0.05 . 2 . . . A 44 PHE HB3 . 18478 1 422 . 1 1 48 48 PHE C C 13 175.8688 0.5 . 1 . . . A 44 PHE C . 18478 1 423 . 1 1 48 48 PHE CA C 13 57.3518 0.5 . 1 . . . A 44 PHE CA . 18478 1 424 . 1 1 48 48 PHE CB C 13 39.0194 0.5 . 1 . . . A 44 PHE CB . 18478 1 425 . 1 1 48 48 PHE N N 15 125.9526 0.5 . 1 . . . A 44 PHE N . 18478 1 426 . 1 1 49 49 PHE H H 1 8.6191 0.05 . 1 . . . A 45 PHE H . 18478 1 427 . 1 1 49 49 PHE HA H 1 4.4411 0.05 . 1 . . . A 45 PHE HA . 18478 1 428 . 1 1 49 49 PHE HB2 H 1 2.9512 0.05 . 2 . . . A 45 PHE HB2 . 18478 1 429 . 1 1 49 49 PHE HB3 H 1 2.5498 0.05 . 2 . . . A 45 PHE HB3 . 18478 1 430 . 1 1 49 49 PHE C C 13 174.0162 0.5 . 1 . . . A 45 PHE C . 18478 1 431 . 1 1 49 49 PHE CA C 13 60.4818 0.5 . 1 . . . A 45 PHE CA . 18478 1 432 . 1 1 49 49 PHE CB C 13 39.6414 0.5 . 1 . . . A 45 PHE CB . 18478 1 433 . 1 1 49 49 PHE N N 15 122.1975 0.5 . 1 . . . A 45 PHE N . 18478 1 434 . 1 1 50 50 GLY H H 1 10.3291 0.05 . 1 . . . A 46 GLY H . 18478 1 435 . 1 1 50 50 GLY HA2 H 1 3.6126 0.05 . 2 . . . A 46 GLY HA2 . 18478 1 436 . 1 1 50 50 GLY HA3 H 1 4.7305 0.05 . 2 . . . A 46 GLY HA3 . 18478 1 437 . 1 1 50 50 GLY C C 13 175.6361 0.5 . 1 . . . A 46 GLY C . 18478 1 438 . 1 1 50 50 GLY CA C 13 46.8115 0.5 . 1 . . . A 46 GLY CA . 18478 1 439 . 1 1 50 50 GLY N N 15 114.0832 0.5 . 1 . . . A 46 GLY N . 18478 1 440 . 1 1 51 51 THR H H 1 7.8823 0.05 . 1 . . . A 47 THR H . 18478 1 441 . 1 1 51 51 THR HA H 1 3.9864 0.05 . 1 . . . A 47 THR HA . 18478 1 442 . 1 1 51 51 THR HB H 1 4.4251 0.05 . 1 . . . A 47 THR HB . 18478 1 443 . 1 1 51 51 THR HG21 H 1 1.2033 0.05 . 1 . . . A 47 THR HG21 . 18478 1 444 . 1 1 51 51 THR HG22 H 1 1.2033 0.05 . 1 . . . A 47 THR HG22 . 18478 1 445 . 1 1 51 51 THR HG23 H 1 1.2033 0.05 . 1 . . . A 47 THR HG23 . 18478 1 446 . 1 1 51 51 THR C C 13 175.5881 0.5 . 1 . . . A 47 THR C . 18478 1 447 . 1 1 51 51 THR CA C 13 62.2656 0.5 . 1 . . . A 47 THR CA . 18478 1 448 . 1 1 51 51 THR CB C 13 68.3459 0.5 . 1 . . . A 47 THR CB . 18478 1 449 . 1 1 51 51 THR CG2 C 13 23.2814 0.5 . 1 . . . A 47 THR CG2 . 18478 1 450 . 1 1 51 51 THR N N 15 111.2104 0.5 . 1 . . . A 47 THR N . 18478 1 451 . 1 1 52 52 HIS H H 1 7.7906 0.05 . 1 . . . A 48 HIS H . 18478 1 452 . 1 1 52 52 HIS HA H 1 3.7302 0.05 . 1 . . . A 48 HIS HA . 18478 1 453 . 1 1 52 52 HIS HB2 H 1 3.5502 0.05 . 2 . . . A 48 HIS HB2 . 18478 1 454 . 1 1 52 52 HIS HB3 H 1 3.2429 0.05 . 2 . . . A 48 HIS HB3 . 18478 1 455 . 1 1 52 52 HIS C C 13 177.7166 0.5 . 1 . . . A 48 HIS C . 18478 1 456 . 1 1 52 52 HIS CA C 13 54.9965 0.5 . 1 . . . A 48 HIS CA . 18478 1 457 . 1 1 52 52 HIS CB C 13 26.3816 0.5 . 1 . . . A 48 HIS CB . 18478 1 458 . 1 1 52 52 HIS N N 15 115.5443 0.5 . 1 . . . A 48 HIS N . 18478 1 459 . 1 1 53 53 GLU H H 1 6.7951 0.05 . 1 . . . A 49 GLU H . 18478 1 460 . 1 1 53 53 GLU HA H 1 4.3220 0.05 . 1 . . . A 49 GLU HA . 18478 1 461 . 1 1 53 53 GLU HB2 H 1 1.7158 0.05 . 2 . . . A 49 GLU HB2 . 18478 1 462 . 1 1 53 53 GLU HB3 H 1 1.3554 0.05 . 2 . . . A 49 GLU HB3 . 18478 1 463 . 1 1 53 53 GLU HG2 H 1 1.9651 0.05 . 2 . . . A 49 GLU HG2 . 18478 1 464 . 1 1 53 53 GLU HG3 H 1 1.9512 0.05 . 2 . . . A 49 GLU HG3 . 18478 1 465 . 1 1 53 53 GLU C C 13 176.9580 0.5 . 1 . . . A 49 GLU C . 18478 1 466 . 1 1 53 53 GLU CA C 13 55.4248 0.5 . 1 . . . A 49 GLU CA . 18478 1 467 . 1 1 53 53 GLU CB C 13 31.5670 0.5 . 1 . . . A 49 GLU CB . 18478 1 468 . 1 1 53 53 GLU CG C 13 36.3785 0.5 . 1 . . . A 49 GLU CG . 18478 1 469 . 1 1 53 53 GLU N N 15 117.5169 0.5 . 1 . . . A 49 GLU N . 18478 1 470 . 1 1 54 54 THR H H 1 8.1388 0.05 . 1 . . . A 50 THR H . 18478 1 471 . 1 1 54 54 THR HA H 1 5.6593 0.05 . 1 . . . A 50 THR HA . 18478 1 472 . 1 1 54 54 THR HB H 1 4.0561 0.05 . 1 . . . A 50 THR HB . 18478 1 473 . 1 1 54 54 THR HG21 H 1 1.1122 0.05 . 1 . . . A 50 THR HG21 . 18478 1 474 . 1 1 54 54 THR HG22 H 1 1.1122 0.05 . 1 . . . A 50 THR HG22 . 18478 1 475 . 1 1 54 54 THR HG23 H 1 1.1122 0.05 . 1 . . . A 50 THR HG23 . 18478 1 476 . 1 1 54 54 THR C C 13 177.2340 0.5 . 1 . . . A 50 THR C . 18478 1 477 . 1 1 54 54 THR CA C 13 59.9792 0.5 . 1 . . . A 50 THR CA . 18478 1 478 . 1 1 54 54 THR CB C 13 71.7895 0.5 . 1 . . . A 50 THR CB . 18478 1 479 . 1 1 54 54 THR CG2 C 13 21.4190 0.5 . 1 . . . A 50 THR CG2 . 18478 1 480 . 1 1 54 54 THR N N 15 111.1819 0.5 . 1 . . . A 50 THR N . 18478 1 481 . 1 1 55 55 ALA H H 1 8.7755 0.05 . 1 . . . A 51 ALA H . 18478 1 482 . 1 1 55 55 ALA HA H 1 4.4172 0.05 . 1 . . . A 51 ALA HA . 18478 1 483 . 1 1 55 55 ALA HB1 H 1 1.2834 0.05 . 1 . . . A 51 ALA HB1 . 18478 1 484 . 1 1 55 55 ALA HB2 H 1 1.2834 0.05 . 1 . . . A 51 ALA HB2 . 18478 1 485 . 1 1 55 55 ALA HB3 H 1 1.2834 0.05 . 1 . . . A 51 ALA HB3 . 18478 1 486 . 1 1 55 55 ALA C C 13 176.6015 0.5 . 1 . . . A 51 ALA C . 18478 1 487 . 1 1 55 55 ALA CA C 13 51.1143 0.5 . 1 . . . A 51 ALA CA . 18478 1 488 . 1 1 55 55 ALA CB C 13 23.3050 0.5 . 1 . . . A 51 ALA CB . 18478 1 489 . 1 1 55 55 ALA N N 15 124.3170 0.5 . 1 . . . A 51 ALA N . 18478 1 490 . 1 1 56 56 PHE H H 1 8.5230 0.05 . 1 . . . A 52 PHE H . 18478 1 491 . 1 1 56 56 PHE HA H 1 5.6853 0.05 . 1 . . . A 52 PHE HA . 18478 1 492 . 1 1 56 56 PHE HB2 H 1 2.8200 0.05 . 2 . . . A 52 PHE HB2 . 18478 1 493 . 1 1 56 56 PHE HB3 H 1 2.8000 0.05 . 2 . . . A 52 PHE HB3 . 18478 1 494 . 1 1 56 56 PHE C C 13 175.9618 0.5 . 1 . . . A 52 PHE C . 18478 1 495 . 1 1 56 56 PHE CA C 13 55.9561 0.5 . 1 . . . A 52 PHE CA . 18478 1 496 . 1 1 56 56 PHE CB C 13 39.9700 0.5 . 1 . . . A 52 PHE CB . 18478 1 497 . 1 1 56 56 PHE N N 15 118.0582 0.5 . 1 . . . A 52 PHE N . 18478 1 498 . 1 1 57 57 LEU H H 1 8.5791 0.05 . 1 . . . A 53 LEU H . 18478 1 499 . 1 1 57 57 LEU HA H 1 4.9129 0.05 . 1 . . . A 53 LEU HA . 18478 1 500 . 1 1 57 57 LEU HB2 H 1 1.4192 0.05 . 2 . . . A 53 LEU HB2 . 18478 1 501 . 1 1 57 57 LEU HB3 H 1 1.7954 0.05 . 2 . . . A 53 LEU HB3 . 18478 1 502 . 1 1 57 57 LEU HG H 1 1.5556 0.05 . 1 . . . A 53 LEU HG . 18478 1 503 . 1 1 57 57 LEU HD11 H 1 0.8541 0.05 . 2 . . . A 53 LEU HD11 . 18478 1 504 . 1 1 57 57 LEU HD12 H 1 0.8541 0.05 . 2 . . . A 53 LEU HD12 . 18478 1 505 . 1 1 57 57 LEU HD13 H 1 0.8541 0.05 . 2 . . . A 53 LEU HD13 . 18478 1 506 . 1 1 57 57 LEU HD21 H 1 1.0475 0.05 . 2 . . . A 53 LEU HD21 . 18478 1 507 . 1 1 57 57 LEU HD22 H 1 1.0475 0.05 . 2 . . . A 53 LEU HD22 . 18478 1 508 . 1 1 57 57 LEU HD23 H 1 1.0475 0.05 . 2 . . . A 53 LEU HD23 . 18478 1 509 . 1 1 57 57 LEU C C 13 175.5836 0.5 . 1 . . . A 53 LEU C . 18478 1 510 . 1 1 57 57 LEU CA C 13 53.4627 0.5 . 1 . . . A 53 LEU CA . 18478 1 511 . 1 1 57 57 LEU CB C 13 46.6059 0.5 . 1 . . . A 53 LEU CB . 18478 1 512 . 1 1 57 57 LEU CG C 13 27.9994 0.5 . 1 . . . A 53 LEU CG . 18478 1 513 . 1 1 57 57 LEU CD1 C 13 25.8935 0.5 . 2 . . . A 53 LEU CD1 . 18478 1 514 . 1 1 57 57 LEU CD2 C 13 24.3652 0.5 . 2 . . . A 53 LEU CD2 . 18478 1 515 . 1 1 57 57 LEU N N 15 123.3443 0.5 . 1 . . . A 53 LEU N . 18478 1 516 . 1 1 58 58 GLY H H 1 9.3185 0.05 . 1 . . . A 54 GLY H . 18478 1 517 . 1 1 58 58 GLY HA2 H 1 3.6903 0.05 . 2 . . . A 54 GLY HA2 . 18478 1 518 . 1 1 58 58 GLY HA3 H 1 3.9156 0.05 . 2 . . . A 54 GLY HA3 . 18478 1 519 . 1 1 58 58 GLY CA C 13 44.0382 0.5 . 1 . . . A 54 GLY CA . 18478 1 520 . 1 1 58 58 GLY N N 15 108.4990 0.5 . 1 . . . A 54 GLY N . 18478 1 521 . 1 1 59 59 PRO HA H 1 4.0550 0.05 . 1 . . . A 55 PRO HA . 18478 1 522 . 1 1 59 59 PRO HB2 H 1 2.0417 0.05 . 2 . . . A 55 PRO HB2 . 18478 1 523 . 1 1 59 59 PRO HB3 H 1 2.3413 0.05 . 2 . . . A 55 PRO HB3 . 18478 1 524 . 1 1 59 59 PRO HG2 H 1 2.1338 0.05 . 2 . . . A 55 PRO HG2 . 18478 1 525 . 1 1 59 59 PRO C C 13 173.7634 0.5 . 1 . . . A 55 PRO C . 18478 1 526 . 1 1 59 59 PRO CA C 13 64.6198 0.5 . 1 . . . A 55 PRO CA . 18478 1 527 . 1 1 59 59 PRO CB C 13 31.8895 0.5 . 1 . . . A 55 PRO CB . 18478 1 528 . 1 1 60 60 LYS H H 1 8.3471 0.05 . 1 . . . A 56 LYS H . 18478 1 529 . 1 1 60 60 LYS HA H 1 4.2044 0.05 . 1 . . . A 56 LYS HA . 18478 1 530 . 1 1 60 60 LYS HB2 H 1 1.7344 0.05 . 2 . . . A 56 LYS HB2 . 18478 1 531 . 1 1 60 60 LYS HB3 H 1 1.8620 0.05 . 2 . . . A 56 LYS HB3 . 18478 1 532 . 1 1 60 60 LYS HG2 H 1 1.4443 0.05 . 2 . . . A 56 LYS HG2 . 18478 1 533 . 1 1 60 60 LYS HG3 H 1 1.4599 0.05 . 2 . . . A 56 LYS HG3 . 18478 1 534 . 1 1 60 60 LYS HD2 H 1 1.7181 0.05 . 2 . . . A 56 LYS HD2 . 18478 1 535 . 1 1 60 60 LYS HD3 H 1 1.6915 0.05 . 2 . . . A 56 LYS HD3 . 18478 1 536 . 1 1 60 60 LYS HE2 H 1 3.0411 0.05 . 2 . . . A 56 LYS HE2 . 18478 1 537 . 1 1 60 60 LYS HE3 H 1 3.0225 0.05 . 2 . . . A 56 LYS HE3 . 18478 1 538 . 1 1 60 60 LYS C C 13 174.8425 0.5 . 1 . . . A 56 LYS C . 18478 1 539 . 1 1 60 60 LYS CA C 13 57.8746 0.5 . 1 . . . A 56 LYS CA . 18478 1 540 . 1 1 60 60 LYS CB C 13 31.5757 0.5 . 1 . . . A 56 LYS CB . 18478 1 541 . 1 1 60 60 LYS CG C 13 24.7595 0.5 . 1 . . . A 56 LYS CG . 18478 1 542 . 1 1 60 60 LYS CD C 13 29.1050 0.5 . 1 . . . A 56 LYS CD . 18478 1 543 . 1 1 60 60 LYS CE C 13 42.2823 0.5 . 1 . . . A 56 LYS CE . 18478 1 544 . 1 1 60 60 LYS N N 15 115.7634 0.5 . 1 . . . A 56 LYS N . 18478 1 545 . 1 1 61 61 ASP H H 1 7.7216 0.05 . 1 . . . A 57 ASP H . 18478 1 546 . 1 1 61 61 ASP HA H 1 4.9947 0.05 . 1 . . . A 57 ASP HA . 18478 1 547 . 1 1 61 61 ASP HB2 H 1 3.6870 0.05 . 2 . . . A 57 ASP HB2 . 18478 1 548 . 1 1 61 61 ASP HB3 H 1 2.6236 0.05 . 2 . . . A 57 ASP HB3 . 18478 1 549 . 1 1 61 61 ASP C C 13 178.1776 0.5 . 1 . . . A 57 ASP C . 18478 1 550 . 1 1 61 61 ASP CA C 13 54.6875 0.5 . 1 . . . A 57 ASP CA . 18478 1 551 . 1 1 61 61 ASP CB C 13 43.6413 0.5 . 1 . . . A 57 ASP CB . 18478 1 552 . 1 1 61 61 ASP N N 15 117.7683 0.5 . 1 . . . A 57 ASP N . 18478 1 553 . 1 1 62 62 ILE H H 1 6.7840 0.05 . 1 . . . A 58 ILE H . 18478 1 554 . 1 1 62 62 ILE HA H 1 4.8860 0.05 . 1 . . . A 58 ILE HA . 18478 1 555 . 1 1 62 62 ILE HB H 1 1.3203 0.05 . 1 . . . A 58 ILE HB . 18478 1 556 . 1 1 62 62 ILE HG12 H 1 0.7245 0.05 . 2 . . . A 58 ILE HG12 . 18478 1 557 . 1 1 62 62 ILE HG13 H 1 0.9364 0.05 . 2 . . . A 58 ILE HG13 . 18478 1 558 . 1 1 62 62 ILE HG21 H 1 0.2500 0.05 . 1 . . . A 58 ILE HG21 . 18478 1 559 . 1 1 62 62 ILE HG22 H 1 0.2500 0.05 . 1 . . . A 58 ILE HG22 . 18478 1 560 . 1 1 62 62 ILE HG23 H 1 0.2500 0.05 . 1 . . . A 58 ILE HG23 . 18478 1 561 . 1 1 62 62 ILE HD11 H 1 0.0498 0.05 . 1 . . . A 58 ILE HD11 . 18478 1 562 . 1 1 62 62 ILE HD12 H 1 0.0498 0.05 . 1 . . . A 58 ILE HD12 . 18478 1 563 . 1 1 62 62 ILE HD13 H 1 0.0498 0.05 . 1 . . . A 58 ILE HD13 . 18478 1 564 . 1 1 62 62 ILE C C 13 178.0271 0.5 . 1 . . . A 58 ILE C . 18478 1 565 . 1 1 62 62 ILE CA C 13 59.9939 0.5 . 1 . . . A 58 ILE CA . 18478 1 566 . 1 1 62 62 ILE CB C 13 40.6524 0.5 . 1 . . . A 58 ILE CB . 18478 1 567 . 1 1 62 62 ILE CG1 C 13 25.3788 0.5 . 1 . . . A 58 ILE CG1 . 18478 1 568 . 1 1 62 62 ILE CG2 C 13 18.0513 0.5 . 1 . . . A 58 ILE CG2 . 18478 1 569 . 1 1 62 62 ILE CD1 C 13 13.8026 0.5 . 1 . . . A 58 ILE CD1 . 18478 1 570 . 1 1 62 62 ILE N N 15 114.2444 0.5 . 1 . . . A 58 ILE N . 18478 1 571 . 1 1 63 63 PHE H H 1 8.7337 0.05 . 1 . . . A 59 PHE H . 18478 1 572 . 1 1 63 63 PHE HA H 1 5.2277 0.05 . 1 . . . A 59 PHE HA . 18478 1 573 . 1 1 63 63 PHE HB2 H 1 2.9620 0.05 . 2 . . . A 59 PHE HB2 . 18478 1 574 . 1 1 63 63 PHE HB3 H 1 3.4170 0.05 . 2 . . . A 59 PHE HB3 . 18478 1 575 . 1 1 63 63 PHE CA C 13 54.9260 0.5 . 1 . . . A 59 PHE CA . 18478 1 576 . 1 1 63 63 PHE CB C 13 42.1218 0.5 . 1 . . . A 59 PHE CB . 18478 1 577 . 1 1 63 63 PHE N N 15 119.8186 0.5 . 1 . . . A 59 PHE N . 18478 1 578 . 1 1 64 64 PRO HA H 1 4.7839 0.05 . 1 . . . A 60 PRO HA . 18478 1 579 . 1 1 64 64 PRO HB2 H 1 2.3705 0.05 . 2 . . . A 60 PRO HB2 . 18478 1 580 . 1 1 64 64 PRO HB3 H 1 2.2972 0.05 . 2 . . . A 60 PRO HB3 . 18478 1 581 . 1 1 64 64 PRO C C 13 174.0364 0.5 . 1 . . . A 60 PRO C . 18478 1 582 . 1 1 64 64 PRO CA C 13 64.4738 0.5 . 1 . . . A 60 PRO CA . 18478 1 583 . 1 1 64 64 PRO CB C 13 32.6621 0.5 . 1 . . . A 60 PRO CB . 18478 1 584 . 1 1 65 65 TYR H H 1 8.3589 0.05 . 1 . . . A 61 TYR H . 18478 1 585 . 1 1 65 65 TYR HA H 1 4.5075 0.05 . 1 . . . A 61 TYR HA . 18478 1 586 . 1 1 65 65 TYR HB2 H 1 2.6790 0.05 . 2 . . . A 61 TYR HB2 . 18478 1 587 . 1 1 65 65 TYR HB3 H 1 2.7863 0.05 . 2 . . . A 61 TYR HB3 . 18478 1 588 . 1 1 65 65 TYR C C 13 173.9437 0.5 . 1 . . . A 61 TYR C . 18478 1 589 . 1 1 65 65 TYR CA C 13 61.2052 0.5 . 1 . . . A 61 TYR CA . 18478 1 590 . 1 1 65 65 TYR CB C 13 38.8251 0.5 . 1 . . . A 61 TYR CB . 18478 1 591 . 1 1 65 65 TYR N N 15 124.3348 0.5 . 1 . . . A 61 TYR N . 18478 1 592 . 1 1 66 66 SER H H 1 8.9743 0.05 . 1 . . . A 62 SER H . 18478 1 593 . 1 1 66 66 SER HA H 1 3.5150 0.05 . 1 . . . A 62 SER HA . 18478 1 594 . 1 1 66 66 SER HB2 H 1 3.9616 0.05 . 2 . . . A 62 SER HB2 . 18478 1 595 . 1 1 66 66 SER C C 13 173.6975 0.5 . 1 . . . A 62 SER C . 18478 1 596 . 1 1 66 66 SER CA C 13 62.7690 0.5 . 1 . . . A 62 SER CA . 18478 1 597 . 1 1 66 66 SER CB C 13 62.0279 0.5 . 1 . . . A 62 SER CB . 18478 1 598 . 1 1 66 66 SER N N 15 114.8362 0.5 . 1 . . . A 62 SER N . 18478 1 599 . 1 1 67 67 GLU H H 1 8.8170 0.05 . 1 . . . A 63 GLU H . 18478 1 600 . 1 1 67 67 GLU HA H 1 4.2117 0.05 . 1 . . . A 63 GLU HA . 18478 1 601 . 1 1 67 67 GLU HB2 H 1 2.0222 0.05 . 2 . . . A 63 GLU HB2 . 18478 1 602 . 1 1 67 67 GLU HB3 H 1 2.0699 0.05 . 2 . . . A 63 GLU HB3 . 18478 1 603 . 1 1 67 67 GLU HG2 H 1 2.3019 0.05 . 2 . . . A 63 GLU HG2 . 18478 1 604 . 1 1 67 67 GLU HG3 H 1 2.3570 0.05 . 2 . . . A 63 GLU HG3 . 18478 1 605 . 1 1 67 67 GLU C C 13 174.9615 0.5 . 1 . . . A 63 GLU C . 18478 1 606 . 1 1 67 67 GLU CA C 13 58.3300 0.5 . 1 . . . A 63 GLU CA . 18478 1 607 . 1 1 67 67 GLU CB C 13 30.0943 0.5 . 1 . . . A 63 GLU CB . 18478 1 608 . 1 1 67 67 GLU CG C 13 36.7850 0.5 . 1 . . . A 63 GLU CG . 18478 1 609 . 1 1 67 67 GLU N N 15 118.0126 0.5 . 1 . . . A 63 GLU N . 18478 1 610 . 1 1 68 68 ASN H H 1 7.4478 0.05 . 1 . . . A 64 ASN H . 18478 1 611 . 1 1 68 68 ASN HA H 1 5.0155 0.05 . 1 . . . A 64 ASN HA . 18478 1 612 . 1 1 68 68 ASN HB2 H 1 2.8184 0.05 . 2 . . . A 64 ASN HB2 . 18478 1 613 . 1 1 68 68 ASN HB3 H 1 2.8250 0.05 . 2 . . . A 64 ASN HB3 . 18478 1 614 . 1 1 68 68 ASN C C 13 176.6260 0.5 . 1 . . . A 64 ASN C . 18478 1 615 . 1 1 68 68 ASN CA C 13 53.7678 0.5 . 1 . . . A 64 ASN CA . 18478 1 616 . 1 1 68 68 ASN CB C 13 41.9476 0.5 . 1 . . . A 64 ASN CB . 18478 1 617 . 1 1 68 68 ASN N N 15 113.9422 0.5 . 1 . . . A 64 ASN N . 18478 1 618 . 1 1 69 69 LYS H H 1 7.5919 0.05 . 1 . . . A 65 LYS H . 18478 1 619 . 1 1 69 69 LYS HA H 1 3.7971 0.05 . 1 . . . A 65 LYS HA . 18478 1 620 . 1 1 69 69 LYS HB2 H 1 1.5978 0.05 . 2 . . . A 65 LYS HB2 . 18478 1 621 . 1 1 69 69 LYS HG2 H 1 1.3071 0.05 . 2 . . . A 65 LYS HG2 . 18478 1 622 . 1 1 69 69 LYS HG3 H 1 1.4770 0.05 . 2 . . . A 65 LYS HG3 . 18478 1 623 . 1 1 69 69 LYS C C 13 173.3298 0.5 . 1 . . . A 65 LYS C . 18478 1 624 . 1 1 69 69 LYS CA C 13 61.2252 0.5 . 1 . . . A 65 LYS CA . 18478 1 625 . 1 1 69 69 LYS CB C 13 32.0939 0.5 . 1 . . . A 65 LYS CB . 18478 1 626 . 1 1 69 69 LYS CG C 13 24.3184 0.5 . 1 . . . A 65 LYS CG . 18478 1 627 . 1 1 69 69 LYS N N 15 124.5839 0.5 . 1 . . . A 65 LYS N . 18478 1 628 . 1 1 70 70 GLU H H 1 8.4781 0.05 . 1 . . . A 66 GLU H . 18478 1 629 . 1 1 70 70 GLU HA H 1 4.0130 0.05 . 1 . . . A 66 GLU HA . 18478 1 630 . 1 1 70 70 GLU HB2 H 1 1.9087 0.05 . 2 . . . A 66 GLU HB2 . 18478 1 631 . 1 1 70 70 GLU HB3 H 1 1.9237 0.05 . 2 . . . A 66 GLU HB3 . 18478 1 632 . 1 1 70 70 GLU HG3 H 1 2.2136 0.05 . 2 . . . A 66 GLU HG3 . 18478 1 633 . 1 1 70 70 GLU C C 13 174.5879 0.5 . 1 . . . A 66 GLU C . 18478 1 634 . 1 1 70 70 GLU CA C 13 58.6265 0.5 . 1 . . . A 66 GLU CA . 18478 1 635 . 1 1 70 70 GLU CB C 13 28.9281 0.5 . 1 . . . A 66 GLU CB . 18478 1 636 . 1 1 70 70 GLU CG C 13 36.4189 0.5 . 1 . . . A 66 GLU CG . 18478 1 637 . 1 1 70 70 GLU N N 15 118.4081 0.5 . 1 . . . A 66 GLU N . 18478 1 638 . 1 1 71 71 LYS H H 1 7.0961 0.05 . 1 . . . A 67 LYS H . 18478 1 639 . 1 1 71 71 LYS HA H 1 3.8522 0.05 . 1 . . . A 67 LYS HA . 18478 1 640 . 1 1 71 71 LYS HB2 H 1 0.8431 0.05 . 2 . . . A 67 LYS HB2 . 18478 1 641 . 1 1 71 71 LYS HB3 H 1 1.1556 0.05 . 2 . . . A 67 LYS HB3 . 18478 1 642 . 1 1 71 71 LYS HG2 H 1 0.5192 0.05 . 2 . . . A 67 LYS HG2 . 18478 1 643 . 1 1 71 71 LYS HG3 H 1 0.8905 0.05 . 2 . . . A 67 LYS HG3 . 18478 1 644 . 1 1 71 71 LYS HD2 H 1 1.2074 0.05 . 2 . . . A 67 LYS HD2 . 18478 1 645 . 1 1 71 71 LYS HD3 H 1 1.2175 0.05 . 2 . . . A 67 LYS HD3 . 18478 1 646 . 1 1 71 71 LYS HE2 H 1 2.6878 0.05 . 2 . . . A 67 LYS HE2 . 18478 1 647 . 1 1 71 71 LYS HE3 H 1 2.8441 0.05 . 2 . . . A 67 LYS HE3 . 18478 1 648 . 1 1 71 71 LYS C C 13 173.4198 0.5 . 1 . . . A 67 LYS C . 18478 1 649 . 1 1 71 71 LYS CA C 13 58.7177 0.5 . 1 . . . A 67 LYS CA . 18478 1 650 . 1 1 71 71 LYS CB C 13 32.9705 0.5 . 1 . . . A 67 LYS CB . 18478 1 651 . 1 1 71 71 LYS CG C 13 24.2140 0.5 . 1 . . . A 67 LYS CG . 18478 1 652 . 1 1 71 71 LYS CD C 13 29.1817 0.5 . 1 . . . A 67 LYS CD . 18478 1 653 . 1 1 71 71 LYS CE C 13 41.7951 0.5 . 1 . . . A 67 LYS CE . 18478 1 654 . 1 1 71 71 LYS N N 15 117.0944 0.5 . 1 . . . A 67 LYS N . 18478 1 655 . 1 1 72 72 TYR H H 1 7.3411 0.05 . 1 . . . A 68 TYR H . 18478 1 656 . 1 1 72 72 TYR HA H 1 4.8040 0.05 . 1 . . . A 68 TYR HA . 18478 1 657 . 1 1 72 72 TYR HB2 H 1 2.3506 0.05 . 2 . . . A 68 TYR HB2 . 18478 1 658 . 1 1 72 72 TYR HB3 H 1 2.3639 0.05 . 2 . . . A 68 TYR HB3 . 18478 1 659 . 1 1 72 72 TYR C C 13 174.4416 0.5 . 1 . . . A 68 TYR C . 18478 1 660 . 1 1 72 72 TYR CA C 13 55.2866 0.5 . 1 . . . A 68 TYR CA . 18478 1 661 . 1 1 72 72 TYR CB C 13 37.2440 0.5 . 1 . . . A 68 TYR CB . 18478 1 662 . 1 1 72 72 TYR N N 15 112.3584 0.5 . 1 . . . A 68 TYR N . 18478 1 663 . 1 1 73 73 GLY H H 1 8.0757 0.05 . 1 . . . A 69 GLY H . 18478 1 664 . 1 1 73 73 GLY HA2 H 1 3.9337 0.05 . 2 . . . A 69 GLY HA2 . 18478 1 665 . 1 1 73 73 GLY HA3 H 1 4.5925 0.05 . 2 . . . A 69 GLY HA3 . 18478 1 666 . 1 1 73 73 GLY C C 13 177.9818 0.5 . 1 . . . A 69 GLY C . 18478 1 667 . 1 1 73 73 GLY CA C 13 46.6230 0.5 . 1 . . . A 69 GLY CA . 18478 1 668 . 1 1 73 73 GLY N N 15 110.6117 0.5 . 1 . . . A 69 GLY N . 18478 1 669 . 1 1 74 74 LYS H H 1 7.4109 0.05 . 1 . . . A 70 LYS H . 18478 1 670 . 1 1 74 74 LYS CA C 13 53.4648 0.5 . 1 . . . A 70 LYS CA . 18478 1 671 . 1 1 74 74 LYS CB C 13 32.4398 0.5 . 1 . . . A 70 LYS CB . 18478 1 672 . 1 1 74 74 LYS N N 15 121.0090 0.5 . 1 . . . A 70 LYS N . 18478 1 673 . 1 1 75 75 PRO HA H 1 4.4110 0.05 . 1 . . . A 71 PRO HA . 18478 1 674 . 1 1 75 75 PRO HB2 H 1 2.0347 0.05 . 2 . . . A 71 PRO HB2 . 18478 1 675 . 1 1 75 75 PRO HB3 H 1 2.3371 0.05 . 2 . . . A 71 PRO HB3 . 18478 1 676 . 1 1 75 75 PRO HG2 H 1 2.0618 0.05 . 2 . . . A 71 PRO HG2 . 18478 1 677 . 1 1 75 75 PRO HG3 H 1 2.0880 0.05 . 2 . . . A 71 PRO HG3 . 18478 1 678 . 1 1 75 75 PRO HD2 H 1 3.5453 0.05 . 2 . . . A 71 PRO HD2 . 18478 1 679 . 1 1 75 75 PRO C C 13 174.9588 0.5 . 1 . . . A 71 PRO C . 18478 1 680 . 1 1 75 75 PRO CA C 13 62.8610 0.5 . 1 . . . A 71 PRO CA . 18478 1 681 . 1 1 75 75 PRO CB C 13 32.4070 0.5 . 1 . . . A 71 PRO CB . 18478 1 682 . 1 1 75 75 PRO CG C 13 27.2817 0.5 . 1 . . . A 71 PRO CG . 18478 1 683 . 1 1 75 75 PRO CD C 13 49.9424 0.5 . 1 . . . A 71 PRO CD . 18478 1 684 . 1 1 76 76 ASN H H 1 8.4743 0.05 . 1 . . . A 72 ASN H . 18478 1 685 . 1 1 76 76 ASN HA H 1 4.4450 0.05 . 1 . . . A 72 ASN HA . 18478 1 686 . 1 1 76 76 ASN HB2 H 1 2.6204 0.05 . 2 . . . A 72 ASN HB2 . 18478 1 687 . 1 1 76 76 ASN HB3 H 1 2.6235 0.05 . 2 . . . A 72 ASN HB3 . 18478 1 688 . 1 1 76 76 ASN C C 13 174.1450 0.5 . 1 . . . A 72 ASN C . 18478 1 689 . 1 1 76 76 ASN CA C 13 55.7010 0.5 . 1 . . . A 72 ASN CA . 18478 1 690 . 1 1 76 76 ASN CB C 13 40.9853 0.5 . 1 . . . A 72 ASN CB . 18478 1 691 . 1 1 76 76 ASN N N 15 121.0452 0.5 . 1 . . . A 72 ASN N . 18478 1 692 . 1 1 77 77 LYS H H 1 8.5428 0.05 . 1 . . . A 73 LYS H . 18478 1 693 . 1 1 77 77 LYS HA H 1 4.3720 0.05 . 1 . . . A 73 LYS HA . 18478 1 694 . 1 1 77 77 LYS HB2 H 1 2.0417 0.05 . 2 . . . A 73 LYS HB2 . 18478 1 695 . 1 1 77 77 LYS HB3 H 1 1.8453 0.05 . 2 . . . A 73 LYS HB3 . 18478 1 696 . 1 1 77 77 LYS HG2 H 1 1.4661 0.05 . 2 . . . A 73 LYS HG2 . 18478 1 697 . 1 1 77 77 LYS HG3 H 1 1.4739 0.05 . 2 . . . A 73 LYS HG3 . 18478 1 698 . 1 1 77 77 LYS HD2 H 1 1.9437 0.05 . 2 . . . A 73 LYS HD2 . 18478 1 699 . 1 1 77 77 LYS HE2 H 1 3.0328 0.05 . 2 . . . A 73 LYS HE2 . 18478 1 700 . 1 1 77 77 LYS C C 13 173.8810 0.5 . 1 . . . A 73 LYS C . 18478 1 701 . 1 1 77 77 LYS CA C 13 55.9955 0.5 . 1 . . . A 73 LYS CA . 18478 1 702 . 1 1 77 77 LYS CB C 13 32.5385 0.5 . 1 . . . A 73 LYS CB . 18478 1 703 . 1 1 77 77 LYS CG C 13 25.0339 0.5 . 1 . . . A 73 LYS CG . 18478 1 704 . 1 1 77 77 LYS CD C 13 29.1793 0.5 . 1 . . . A 73 LYS CD . 18478 1 705 . 1 1 77 77 LYS CE C 13 40.7790 0.5 . 1 . . . A 73 LYS CE . 18478 1 706 . 1 1 77 77 LYS N N 15 111.4664 0.5 . 1 . . . A 73 LYS N . 18478 1 707 . 1 1 78 78 ARG H H 1 8.8638 0.05 . 1 . . . A 74 ARG H . 18478 1 708 . 1 1 78 78 ARG HA H 1 4.1713 0.05 . 1 . . . A 74 ARG HA . 18478 1 709 . 1 1 78 78 ARG HB2 H 1 2.0788 0.05 . 2 . . . A 74 ARG HB2 . 18478 1 710 . 1 1 78 78 ARG HB3 H 1 2.0791 0.05 . 2 . . . A 74 ARG HB3 . 18478 1 711 . 1 1 78 78 ARG HG2 H 1 1.8325 0.05 . 2 . . . A 74 ARG HG2 . 18478 1 712 . 1 1 78 78 ARG HG3 H 1 1.7619 0.05 . 2 . . . A 74 ARG HG3 . 18478 1 713 . 1 1 78 78 ARG HD2 H 1 3.3075 0.05 . 2 . . . A 74 ARG HD2 . 18478 1 714 . 1 1 78 78 ARG HD3 H 1 3.4201 0.05 . 2 . . . A 74 ARG HD3 . 18478 1 715 . 1 1 78 78 ARG C C 13 173.6520 0.5 . 1 . . . A 74 ARG C . 18478 1 716 . 1 1 78 78 ARG CA C 13 55.7799 0.5 . 1 . . . A 74 ARG CA . 18478 1 717 . 1 1 78 78 ARG CB C 13 29.5852 0.5 . 1 . . . A 74 ARG CB . 18478 1 718 . 1 1 78 78 ARG CG C 13 27.8380 0.5 . 1 . . . A 74 ARG CG . 18478 1 719 . 1 1 78 78 ARG CD C 13 42.4754 0.5 . 1 . . . A 74 ARG CD . 18478 1 720 . 1 1 78 78 ARG N N 15 122.2331 0.5 . 1 . . . A 74 ARG N . 18478 1 721 . 1 1 79 79 LYS H H 1 8.9268 0.05 . 1 . . . A 75 LYS H . 18478 1 722 . 1 1 79 79 LYS HA H 1 4.2274 0.05 . 1 . . . A 75 LYS HA . 18478 1 723 . 1 1 79 79 LYS HB2 H 1 1.9365 0.05 . 2 . . . A 75 LYS HB2 . 18478 1 724 . 1 1 79 79 LYS C C 13 174.3356 0.5 . 1 . . . A 75 LYS C . 18478 1 725 . 1 1 79 79 LYS CA C 13 58.9861 0.5 . 1 . . . A 75 LYS CA . 18478 1 726 . 1 1 79 79 LYS CB C 13 32.0720 0.5 . 1 . . . A 75 LYS CB . 18478 1 727 . 1 1 79 79 LYS N N 15 128.1974 0.5 . 1 . . . A 75 LYS N . 18478 1 728 . 1 1 80 80 GLY H H 1 8.9434 0.05 . 1 . . . A 76 GLY H . 18478 1 729 . 1 1 80 80 GLY HA2 H 1 4.3820 0.05 . 2 . . . A 76 GLY HA2 . 18478 1 730 . 1 1 80 80 GLY HA3 H 1 3.8157 0.05 . 2 . . . A 76 GLY HA3 . 18478 1 731 . 1 1 80 80 GLY C C 13 176.5360 0.5 . 1 . . . A 76 GLY C . 18478 1 732 . 1 1 80 80 GLY CA C 13 45.9917 0.5 . 1 . . . A 76 GLY CA . 18478 1 733 . 1 1 80 80 GLY N N 15 114.7299 0.5 . 1 . . . A 76 GLY N . 18478 1 734 . 1 1 81 81 PHE H H 1 8.2813 0.05 . 1 . . . A 77 PHE H . 18478 1 735 . 1 1 81 81 PHE HA H 1 3.3472 0.05 . 1 . . . A 77 PHE HA . 18478 1 736 . 1 1 81 81 PHE HB2 H 1 3.1073 0.05 . 2 . . . A 77 PHE HB2 . 18478 1 737 . 1 1 81 81 PHE HB3 H 1 2.3014 0.05 . 2 . . . A 77 PHE HB3 . 18478 1 738 . 1 1 81 81 PHE C C 13 174.0369 0.5 . 1 . . . A 77 PHE C . 18478 1 739 . 1 1 81 81 PHE CA C 13 63.0937 0.5 . 1 . . . A 77 PHE CA . 18478 1 740 . 1 1 81 81 PHE CB C 13 39.8227 0.5 . 1 . . . A 77 PHE CB . 18478 1 741 . 1 1 81 81 PHE N N 15 123.7699 0.5 . 1 . . . A 77 PHE N . 18478 1 742 . 1 1 82 82 ASN H H 1 9.1454 0.05 . 1 . . . A 78 ASN H . 18478 1 743 . 1 1 82 82 ASN HA H 1 4.4483 0.05 . 1 . . . A 78 ASN HA . 18478 1 744 . 1 1 82 82 ASN HB2 H 1 2.8699 0.05 . 2 . . . A 78 ASN HB2 . 18478 1 745 . 1 1 82 82 ASN HB3 H 1 2.8685 0.05 . 2 . . . A 78 ASN HB3 . 18478 1 746 . 1 1 82 82 ASN C C 13 171.2900 0.5 . 1 . . . A 78 ASN C . 18478 1 747 . 1 1 82 82 ASN CA C 13 56.0597 0.5 . 1 . . . A 78 ASN CA . 18478 1 748 . 1 1 82 82 ASN CB C 13 36.4013 0.5 . 1 . . . A 78 ASN CB . 18478 1 749 . 1 1 82 82 ASN N N 15 119.8120 0.5 . 1 . . . A 78 ASN N . 18478 1 750 . 1 1 83 83 GLU H H 1 9.5603 0.05 . 1 . . . A 79 GLU H . 18478 1 751 . 1 1 83 83 GLU HA H 1 4.1942 0.05 . 1 . . . A 79 GLU HA . 18478 1 752 . 1 1 83 83 GLU HB2 H 1 2.1248 0.05 . 2 . . . A 79 GLU HB2 . 18478 1 753 . 1 1 83 83 GLU HB3 H 1 2.1416 0.05 . 2 . . . A 79 GLU HB3 . 18478 1 754 . 1 1 83 83 GLU HG3 H 1 2.6295 0.05 . 2 . . . A 79 GLU HG3 . 18478 1 755 . 1 1 83 83 GLU C C 13 172.2223 0.5 . 1 . . . A 79 GLU C . 18478 1 756 . 1 1 83 83 GLU CA C 13 60.9224 0.5 . 1 . . . A 79 GLU CA . 18478 1 757 . 1 1 83 83 GLU CB C 13 28.2638 0.5 . 1 . . . A 79 GLU CB . 18478 1 758 . 1 1 83 83 GLU CG C 13 37.4353 0.5 . 1 . . . A 79 GLU CG . 18478 1 759 . 1 1 83 83 GLU N N 15 124.4106 0.5 . 1 . . . A 79 GLU N . 18478 1 760 . 1 1 84 84 GLY H H 1 8.3640 0.05 . 1 . . . A 80 GLY H . 18478 1 761 . 1 1 84 84 GLY HA2 H 1 3.4232 0.05 . 2 . . . A 80 GLY HA2 . 18478 1 762 . 1 1 84 84 GLY HA3 H 1 4.0130 0.05 . 2 . . . A 80 GLY HA3 . 18478 1 763 . 1 1 84 84 GLY C C 13 176.4452 0.5 . 1 . . . A 80 GLY C . 18478 1 764 . 1 1 84 84 GLY CA C 13 46.7266 0.5 . 1 . . . A 80 GLY CA . 18478 1 765 . 1 1 84 84 GLY N N 15 111.3876 0.5 . 1 . . . A 80 GLY N . 18478 1 766 . 1 1 85 85 LEU H H 1 8.2941 0.05 . 1 . . . A 81 LEU H . 18478 1 767 . 1 1 85 85 LEU HA H 1 3.9156 0.05 . 1 . . . A 81 LEU HA . 18478 1 768 . 1 1 85 85 LEU HB2 H 1 1.4497 0.05 . 2 . . . A 81 LEU HB2 . 18478 1 769 . 1 1 85 85 LEU HB3 H 1 2.0459 0.05 . 2 . . . A 81 LEU HB3 . 18478 1 770 . 1 1 85 85 LEU HG H 1 0.9827 0.05 . 1 . . . A 81 LEU HG . 18478 1 771 . 1 1 85 85 LEU HD11 H 1 0.9931 0.05 . 2 . . . A 81 LEU HD11 . 18478 1 772 . 1 1 85 85 LEU HD12 H 1 0.9931 0.05 . 2 . . . A 81 LEU HD12 . 18478 1 773 . 1 1 85 85 LEU HD13 H 1 0.9931 0.05 . 2 . . . A 81 LEU HD13 . 18478 1 774 . 1 1 85 85 LEU HD21 H 1 0.8109 0.05 . 2 . . . A 81 LEU HD21 . 18478 1 775 . 1 1 85 85 LEU HD22 H 1 0.8109 0.05 . 2 . . . A 81 LEU HD22 . 18478 1 776 . 1 1 85 85 LEU HD23 H 1 0.8109 0.05 . 2 . . . A 81 LEU HD23 . 18478 1 777 . 1 1 85 85 LEU C C 13 172.2848 0.5 . 1 . . . A 81 LEU C . 18478 1 778 . 1 1 85 85 LEU CA C 13 56.7950 0.5 . 1 . . . A 81 LEU CA . 18478 1 779 . 1 1 85 85 LEU CB C 13 41.1134 0.5 . 1 . . . A 81 LEU CB . 18478 1 780 . 1 1 85 85 LEU CG C 13 25.8828 0.5 . 1 . . . A 81 LEU CG . 18478 1 781 . 1 1 85 85 LEU CD1 C 13 25.9522 0.5 . 2 . . . A 81 LEU CD1 . 18478 1 782 . 1 1 85 85 LEU CD2 C 13 21.5028 0.5 . 2 . . . A 81 LEU CD2 . 18478 1 783 . 1 1 85 85 LEU N N 15 121.1530 0.5 . 1 . . . A 81 LEU N . 18478 1 784 . 1 1 86 86 TRP H H 1 7.7827 0.05 . 1 . . . A 82 TRP H . 18478 1 785 . 1 1 86 86 TRP HA H 1 4.1752 0.05 . 1 . . . A 82 TRP HA . 18478 1 786 . 1 1 86 86 TRP HB2 H 1 3.6832 0.05 . 2 . . . A 82 TRP HB2 . 18478 1 787 . 1 1 86 86 TRP HB3 H 1 3.3237 0.05 . 2 . . . A 82 TRP HB3 . 18478 1 788 . 1 1 86 86 TRP C C 13 171.7414 0.5 . 1 . . . A 82 TRP C . 18478 1 789 . 1 1 86 86 TRP CA C 13 62.1530 0.5 . 1 . . . A 82 TRP CA . 18478 1 790 . 1 1 86 86 TRP CB C 13 28.4240 0.5 . 1 . . . A 82 TRP CB . 18478 1 791 . 1 1 86 86 TRP N N 15 118.8977 0.5 . 1 . . . A 82 TRP N . 18478 1 792 . 1 1 87 87 GLU H H 1 8.7791 0.05 . 1 . . . A 83 GLU H . 18478 1 793 . 1 1 87 87 GLU HA H 1 3.4244 0.05 . 1 . . . A 83 GLU HA . 18478 1 794 . 1 1 87 87 GLU HB2 H 1 2.3266 0.05 . 2 . . . A 83 GLU HB2 . 18478 1 795 . 1 1 87 87 GLU HB3 H 1 2.0670 0.05 . 2 . . . A 83 GLU HB3 . 18478 1 796 . 1 1 87 87 GLU HG2 H 1 2.6787 0.05 . 2 . . . A 83 GLU HG2 . 18478 1 797 . 1 1 87 87 GLU HG3 H 1 3.2355 0.05 . 2 . . . A 83 GLU HG3 . 18478 1 798 . 1 1 87 87 GLU C C 13 172.9573 0.5 . 1 . . . A 83 GLU C . 18478 1 799 . 1 1 87 87 GLU CA C 13 60.1701 0.5 . 1 . . . A 83 GLU CA . 18478 1 800 . 1 1 87 87 GLU CB C 13 31.0214 0.5 . 1 . . . A 83 GLU CB . 18478 1 801 . 1 1 87 87 GLU CG C 13 37.3017 0.5 . 1 . . . A 83 GLU CG . 18478 1 802 . 1 1 87 87 GLU N N 15 120.7182 0.5 . 1 . . . A 83 GLU N . 18478 1 803 . 1 1 88 88 ILE H H 1 7.6456 0.05 . 1 . . . A 84 ILE H . 18478 1 804 . 1 1 88 88 ILE HA H 1 2.4776 0.05 . 1 . . . A 84 ILE HA . 18478 1 805 . 1 1 88 88 ILE HB H 1 0.8976 0.05 . 1 . . . A 84 ILE HB . 18478 1 806 . 1 1 88 88 ILE HG12 H 1 0.1558 0.05 . 2 . . . A 84 ILE HG12 . 18478 1 807 . 1 1 88 88 ILE HG13 H 1 1.0906 0.05 . 2 . . . A 84 ILE HG13 . 18478 1 808 . 1 1 88 88 ILE HG21 H 1 0.6250 0.05 . 1 . . . A 84 ILE HG21 . 18478 1 809 . 1 1 88 88 ILE HG22 H 1 0.6250 0.05 . 1 . . . A 84 ILE HG22 . 18478 1 810 . 1 1 88 88 ILE HG23 H 1 0.6250 0.05 . 1 . . . A 84 ILE HG23 . 18478 1 811 . 1 1 88 88 ILE HD11 H 1 0.4309 0.05 . 1 . . . A 84 ILE HD11 . 18478 1 812 . 1 1 88 88 ILE HD12 H 1 0.4309 0.05 . 1 . . . A 84 ILE HD12 . 18478 1 813 . 1 1 88 88 ILE HD13 H 1 0.4309 0.05 . 1 . . . A 84 ILE HD13 . 18478 1 814 . 1 1 88 88 ILE C C 13 177.8730 0.5 . 1 . . . A 84 ILE C . 18478 1 815 . 1 1 88 88 ILE CA C 13 65.3847 0.5 . 1 . . . A 84 ILE CA . 18478 1 816 . 1 1 88 88 ILE CB C 13 37.3612 0.5 . 1 . . . A 84 ILE CB . 18478 1 817 . 1 1 88 88 ILE CG1 C 13 30.6551 0.5 . 1 . . . A 84 ILE CG1 . 18478 1 818 . 1 1 88 88 ILE CG2 C 13 16.1346 0.5 . 1 . . . A 84 ILE CG2 . 18478 1 819 . 1 1 88 88 ILE CD1 C 13 14.5509 0.5 . 1 . . . A 84 ILE CD1 . 18478 1 820 . 1 1 88 88 ILE N N 15 117.9307 0.5 . 1 . . . A 84 ILE N . 18478 1 821 . 1 1 89 89 ASP H H 1 5.9111 0.05 . 1 . . . A 85 ASP H . 18478 1 822 . 1 1 89 89 ASP HA H 1 4.4544 0.05 . 1 . . . A 85 ASP HA . 18478 1 823 . 1 1 89 89 ASP HB2 H 1 2.4070 0.05 . 2 . . . A 85 ASP HB2 . 18478 1 824 . 1 1 89 89 ASP HB3 H 1 2.6279 0.05 . 2 . . . A 85 ASP HB3 . 18478 1 825 . 1 1 89 89 ASP C C 13 174.2067 0.5 . 1 . . . A 85 ASP C . 18478 1 826 . 1 1 89 89 ASP CA C 13 54.8253 0.5 . 1 . . . A 85 ASP CA . 18478 1 827 . 1 1 89 89 ASP CB C 13 42.4758 0.5 . 1 . . . A 85 ASP CB . 18478 1 828 . 1 1 89 89 ASP N N 15 114.4110 0.5 . 1 . . . A 85 ASP N . 18478 1 829 . 1 1 90 90 ASN H H 1 7.4800 0.05 . 1 . . . A 86 ASN H . 18478 1 830 . 1 1 90 90 ASN HA H 1 4.5050 0.05 . 1 . . . A 86 ASN HA . 18478 1 831 . 1 1 90 90 ASN HB2 H 1 1.6668 0.05 . 2 . . . A 86 ASN HB2 . 18478 1 832 . 1 1 90 90 ASN HB3 H 1 0.7956 0.05 . 2 . . . A 86 ASN HB3 . 18478 1 833 . 1 1 90 90 ASN C C 13 176.9909 0.5 . 1 . . . A 86 ASN C . 18478 1 834 . 1 1 90 90 ASN CA C 13 54.8547 0.5 . 1 . . . A 86 ASN CA . 18478 1 835 . 1 1 90 90 ASN CB C 13 40.5817 0.5 . 1 . . . A 86 ASN CB . 18478 1 836 . 1 1 90 90 ASN N N 15 114.3581 0.5 . 1 . . . A 86 ASN N . 18478 1 837 . 1 1 91 91 ASN H H 1 9.2379 0.05 . 1 . . . A 87 ASN H . 18478 1 838 . 1 1 91 91 ASN HA H 1 5.0058 0.05 . 1 . . . A 87 ASN HA . 18478 1 839 . 1 1 91 91 ASN HB2 H 1 2.9200 0.05 . 2 . . . A 87 ASN HB2 . 18478 1 840 . 1 1 91 91 ASN HB3 H 1 2.4875 0.05 . 2 . . . A 87 ASN HB3 . 18478 1 841 . 1 1 91 91 ASN CA C 13 51.6238 0.5 . 1 . . . A 87 ASN CA . 18478 1 842 . 1 1 91 91 ASN CB C 13 38.8034 0.5 . 1 . . . A 87 ASN CB . 18478 1 843 . 1 1 91 91 ASN N N 15 119.1851 0.5 . 1 . . . A 87 ASN N . 18478 1 844 . 1 1 92 92 PRO HA H 1 4.3025 0.05 . 1 . . . A 88 PRO HA . 18478 1 845 . 1 1 92 92 PRO HB2 H 1 1.9695 0.05 . 2 . . . A 88 PRO HB2 . 18478 1 846 . 1 1 92 92 PRO HB3 H 1 2.0413 0.05 . 2 . . . A 88 PRO HB3 . 18478 1 847 . 1 1 92 92 PRO C C 13 173.6899 0.5 . 1 . . . A 88 PRO C . 18478 1 848 . 1 1 92 92 PRO CA C 13 64.5583 0.5 . 1 . . . A 88 PRO CA . 18478 1 849 . 1 1 92 92 PRO CB C 13 31.7813 0.5 . 1 . . . A 88 PRO CB . 18478 1 850 . 1 1 93 93 LYS H H 1 8.2300 0.05 . 1 . . . A 89 LYS H . 18478 1 851 . 1 1 93 93 LYS HA H 1 4.2851 0.05 . 1 . . . A 89 LYS HA . 18478 1 852 . 1 1 93 93 LYS HB2 H 1 1.9669 0.05 . 2 . . . A 89 LYS HB2 . 18478 1 853 . 1 1 93 93 LYS HB3 H 1 1.6704 0.05 . 2 . . . A 89 LYS HB3 . 18478 1 854 . 1 1 93 93 LYS C C 13 174.6214 0.5 . 1 . . . A 89 LYS C . 18478 1 855 . 1 1 93 93 LYS CA C 13 55.1724 0.5 . 1 . . . A 89 LYS CA . 18478 1 856 . 1 1 93 93 LYS CB C 13 31.4722 0.5 . 1 . . . A 89 LYS CB . 18478 1 857 . 1 1 93 93 LYS N N 15 118.0084 0.5 . 1 . . . A 89 LYS N . 18478 1 858 . 1 1 94 94 VAL H H 1 7.3353 0.05 . 1 . . . A 90 VAL H . 18478 1 859 . 1 1 94 94 VAL HA H 1 3.7792 0.05 . 1 . . . A 90 VAL HA . 18478 1 860 . 1 1 94 94 VAL HB H 1 2.3718 0.05 . 1 . . . A 90 VAL HB . 18478 1 861 . 1 1 94 94 VAL HG11 H 1 1.1935 0.05 . 2 . . . A 90 VAL HG11 . 18478 1 862 . 1 1 94 94 VAL HG12 H 1 1.1935 0.05 . 2 . . . A 90 VAL HG12 . 18478 1 863 . 1 1 94 94 VAL HG13 H 1 1.1935 0.05 . 2 . . . A 90 VAL HG13 . 18478 1 864 . 1 1 94 94 VAL HG21 H 1 1.0206 0.05 . 2 . . . A 90 VAL HG21 . 18478 1 865 . 1 1 94 94 VAL HG22 H 1 1.0206 0.05 . 2 . . . A 90 VAL HG22 . 18478 1 866 . 1 1 94 94 VAL HG23 H 1 1.0206 0.05 . 2 . . . A 90 VAL HG23 . 18478 1 867 . 1 1 94 94 VAL C C 13 178.3981 0.5 . 1 . . . A 90 VAL C . 18478 1 868 . 1 1 94 94 VAL CA C 13 62.8962 0.5 . 1 . . . A 90 VAL CA . 18478 1 869 . 1 1 94 94 VAL CB C 13 31.6613 0.5 . 1 . . . A 90 VAL CB . 18478 1 870 . 1 1 94 94 VAL CG1 C 13 19.3319 0.5 . 2 . . . A 90 VAL CG1 . 18478 1 871 . 1 1 94 94 VAL CG2 C 13 22.1082 0.5 . 2 . . . A 90 VAL CG2 . 18478 1 872 . 1 1 94 94 VAL N N 15 121.8104 0.5 . 1 . . . A 90 VAL N . 18478 1 873 . 1 1 95 95 LYS H H 1 8.1267 0.05 . 1 . . . A 91 LYS H . 18478 1 874 . 1 1 95 95 LYS HA H 1 4.0467 0.05 . 1 . . . A 91 LYS HA . 18478 1 875 . 1 1 95 95 LYS HB2 H 1 1.6878 0.05 . 2 . . . A 91 LYS HB2 . 18478 1 876 . 1 1 95 95 LYS HB3 H 1 1.5070 0.05 . 2 . . . A 91 LYS HB3 . 18478 1 877 . 1 1 95 95 LYS HG2 H 1 1.3010 0.05 . 2 . . . A 91 LYS HG2 . 18478 1 878 . 1 1 95 95 LYS HG3 H 1 1.2125 0.05 . 2 . . . A 91 LYS HG3 . 18478 1 879 . 1 1 95 95 LYS HE2 H 1 2.9251 0.05 . 2 . . . A 91 LYS HE2 . 18478 1 880 . 1 1 95 95 LYS C C 13 176.9740 0.5 . 1 . . . A 91 LYS C . 18478 1 881 . 1 1 95 95 LYS CA C 13 56.0458 0.5 . 1 . . . A 91 LYS CA . 18478 1 882 . 1 1 95 95 LYS CB C 13 33.8487 0.5 . 1 . . . A 91 LYS CB . 18478 1 883 . 1 1 95 95 LYS CG C 13 24.7792 0.5 . 1 . . . A 91 LYS CG . 18478 1 884 . 1 1 95 95 LYS CE C 13 42.2124 0.5 . 1 . . . A 91 LYS CE . 18478 1 885 . 1 1 95 95 LYS N N 15 123.6404 0.5 . 1 . . . A 91 LYS N . 18478 1 886 . 1 1 96 96 PHE H H 1 7.6925 0.05 . 1 . . . A 92 PHE H . 18478 1 887 . 1 1 96 96 PHE HA H 1 3.8170 0.05 . 1 . . . A 92 PHE HA . 18478 1 888 . 1 1 96 96 PHE HB2 H 1 2.8515 0.05 . 2 . . . A 92 PHE HB2 . 18478 1 889 . 1 1 96 96 PHE HB3 H 1 3.1534 0.05 . 2 . . . A 92 PHE HB3 . 18478 1 890 . 1 1 96 96 PHE CA C 13 59.8652 0.5 . 1 . . . A 92 PHE CA . 18478 1 891 . 1 1 96 96 PHE CB C 13 41.0641 0.5 . 1 . . . A 92 PHE CB . 18478 1 892 . 1 1 96 96 PHE N N 15 124.9312 0.5 . 1 . . . A 92 PHE N . 18478 1 stop_ save_