################################### # 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 36251 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _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' 1 $sample_1 isotropic 36251 1 2 '3D HNCACB' 1 $sample_1 isotropic 36251 1 3 '3D CBCA(CO)NH' 1 $sample_1 isotropic 36251 1 4 '3D HNCO' 1 $sample_1 isotropic 36251 1 5 '3D HN(CA)CO' 1 $sample_1 isotropic 36251 1 6 '3D HCCH-TOCSY' 1 $sample_1 isotropic 36251 1 7 '3D CCH-TOCSY' 1 $sample_1 isotropic 36251 1 8 '3D HCCH-COSY' 1 $sample_1 isotropic 36251 1 9 '3D CC(CO)NH' 1 $sample_1 isotropic 36251 1 10 '3D HBHA(CO)NH' 1 $sample_1 isotropic 36251 1 11 '3D HBCBCGCDHD' 1 $sample_1 isotropic 36251 1 12 '3D HBCBCGCDHDHE' 1 $sample_1 isotropic 36251 1 13 '3D NOESY' 1 $sample_1 isotropic 36251 1 14 '2D 1H-15N HSQC' 1 $sample_1 anisotropic 36251 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 2 2 SER HA H 1 4.440 0.020 . 1 . . . . A 297 SER HA . 36251 1 2 . 1 . 1 2 2 SER HB2 H 1 3.839 0.020 . 1 . . . . A 297 SER HB2 . 36251 1 3 . 1 . 1 2 2 SER HB3 H 1 3.839 0.020 . 1 . . . . A 297 SER HB3 . 36251 1 4 . 1 . 1 2 2 SER C C 13 174.762 0.400 . 1 . . . . A 297 SER C . 36251 1 5 . 1 . 1 2 2 SER CA C 13 58.434 0.400 . 1 . . . . A 297 SER CA . 36251 1 6 . 1 . 1 2 2 SER CB C 13 63.872 0.400 . 1 . . . . A 297 SER CB . 36251 1 7 . 1 . 1 3 3 LEU H H 1 8.280 0.020 . 1 . . . . A 298 LEU H . 36251 1 8 . 1 . 1 3 3 LEU HA H 1 4.265 0.020 . 1 . . . . A 298 LEU HA . 36251 1 9 . 1 . 1 3 3 LEU HB2 H 1 1.560 0.020 . 1 . . . . A 298 LEU HB2 . 36251 1 10 . 1 . 1 3 3 LEU HB3 H 1 1.560 0.020 . 1 . . . . A 298 LEU HB3 . 36251 1 11 . 1 . 1 3 3 LEU HG H 1 1.579 0.020 . 1 . . . . A 298 LEU HG . 36251 1 12 . 1 . 1 3 3 LEU HD11 H 1 0.845 0.020 . 2 . . . . A 298 LEU HD11 . 36251 1 13 . 1 . 1 3 3 LEU HD12 H 1 0.845 0.020 . 2 . . . . A 298 LEU HD12 . 36251 1 14 . 1 . 1 3 3 LEU HD13 H 1 0.845 0.020 . 2 . . . . A 298 LEU HD13 . 36251 1 15 . 1 . 1 3 3 LEU HD21 H 1 0.781 0.020 . 2 . . . . A 298 LEU HD21 . 36251 1 16 . 1 . 1 3 3 LEU HD22 H 1 0.781 0.020 . 2 . . . . A 298 LEU HD22 . 36251 1 17 . 1 . 1 3 3 LEU HD23 H 1 0.781 0.020 . 2 . . . . A 298 LEU HD23 . 36251 1 18 . 1 . 1 3 3 LEU C C 13 177.627 0.400 . 1 . . . . A 298 LEU C . 36251 1 19 . 1 . 1 3 3 LEU CA C 13 55.665 0.400 . 1 . . . . A 298 LEU CA . 36251 1 20 . 1 . 1 3 3 LEU CB C 13 42.063 0.400 . 1 . . . . A 298 LEU CB . 36251 1 21 . 1 . 1 3 3 LEU CG C 13 27.026 0.400 . 1 . . . . A 298 LEU CG . 36251 1 22 . 1 . 1 3 3 LEU CD1 C 13 24.996 0.400 . 1 . . . . A 298 LEU CD1 . 36251 1 23 . 1 . 1 3 3 LEU CD2 C 13 23.609 0.400 . 1 . . . . A 298 LEU CD2 . 36251 1 24 . 1 . 1 3 3 LEU N N 15 123.822 0.400 . 1 . . . . A 298 LEU N . 36251 1 25 . 1 . 1 4 4 LYS H H 1 8.154 0.020 . 1 . . . . A 299 LYS H . 36251 1 26 . 1 . 1 4 4 LYS HA H 1 4.201 0.020 . 1 . . . . A 299 LYS HA . 36251 1 27 . 1 . 1 4 4 LYS HB2 H 1 1.744 0.020 . 2 . . . . A 299 LYS HB2 . 36251 1 28 . 1 . 1 4 4 LYS HB3 H 1 1.623 0.020 . 2 . . . . A 299 LYS HB3 . 36251 1 29 . 1 . 1 4 4 LYS HG2 H 1 1.345 0.020 . 2 . . . . A 299 LYS HG2 . 36251 1 30 . 1 . 1 4 4 LYS HG3 H 1 1.274 0.020 . 2 . . . . A 299 LYS HG3 . 36251 1 31 . 1 . 1 4 4 LYS HD2 H 1 1.519 0.020 . 1 . . . . A 299 LYS HD2 . 36251 1 32 . 1 . 1 4 4 LYS HD3 H 1 1.519 0.020 . 1 . . . . A 299 LYS HD3 . 36251 1 33 . 1 . 1 4 4 LYS HE2 H 1 2.821 0.020 . 1 . . . . A 299 LYS HE2 . 36251 1 34 . 1 . 1 4 4 LYS HE3 H 1 2.821 0.020 . 1 . . . . A 299 LYS HE3 . 36251 1 35 . 1 . 1 4 4 LYS C C 13 176.180 0.400 . 1 . . . . A 299 LYS C . 36251 1 36 . 1 . 1 4 4 LYS CA C 13 56.589 0.400 . 1 . . . . A 299 LYS CA . 36251 1 37 . 1 . 1 4 4 LYS CB C 13 32.362 0.400 . 1 . . . . A 299 LYS CB . 36251 1 38 . 1 . 1 4 4 LYS CG C 13 24.863 0.400 . 1 . . . . A 299 LYS CG . 36251 1 39 . 1 . 1 4 4 LYS CD C 13 28.973 0.400 . 1 . . . . A 299 LYS CD . 36251 1 40 . 1 . 1 4 4 LYS CE C 13 42.058 0.400 . 1 . . . . A 299 LYS CE . 36251 1 41 . 1 . 1 4 4 LYS N N 15 121.146 0.400 . 1 . . . . A 299 LYS N . 36251 1 42 . 1 . 1 5 5 SER H H 1 7.904 0.020 . 1 . . . . A 300 SER H . 36251 1 43 . 1 . 1 5 5 SER HA H 1 4.483 0.020 . 1 . . . . A 300 SER HA . 36251 1 44 . 1 . 1 5 5 SER HB2 H 1 3.839 0.020 . 1 . . . . A 300 SER HB2 . 36251 1 45 . 1 . 1 5 5 SER HB3 H 1 3.839 0.020 . 1 . . . . A 300 SER HB3 . 36251 1 46 . 1 . 1 5 5 SER C C 13 173.653 0.400 . 1 . . . . A 300 SER C . 36251 1 47 . 1 . 1 5 5 SER CA C 13 57.727 0.400 . 1 . . . . A 300 SER CA . 36251 1 48 . 1 . 1 5 5 SER CB C 13 64.235 0.400 . 1 . . . . A 300 SER CB . 36251 1 49 . 1 . 1 5 5 SER N N 15 114.294 0.400 . 1 . . . . A 300 SER N . 36251 1 50 . 1 . 1 6 6 ALA H H 1 7.983 0.020 . 1 . . . . A 301 ALA H . 36251 1 51 . 1 . 1 6 6 ALA HA H 1 4.281 0.020 . 1 . . . . A 301 ALA HA . 36251 1 52 . 1 . 1 6 6 ALA HB1 H 1 1.181 0.020 . 1 . . . . A 301 ALA HB1 . 36251 1 53 . 1 . 1 6 6 ALA HB2 H 1 1.181 0.020 . 1 . . . . A 301 ALA HB2 . 36251 1 54 . 1 . 1 6 6 ALA HB3 H 1 1.181 0.020 . 1 . . . . A 301 ALA HB3 . 36251 1 55 . 1 . 1 6 6 ALA C C 13 176.167 0.400 . 1 . . . . A 301 ALA C . 36251 1 56 . 1 . 1 6 6 ALA CA C 13 52.413 0.400 . 1 . . . . A 301 ALA CA . 36251 1 57 . 1 . 1 6 6 ALA CB C 13 19.767 0.400 . 1 . . . . A 301 ALA CB . 36251 1 58 . 1 . 1 6 6 ALA N N 15 124.683 0.400 . 1 . . . . A 301 ALA N . 36251 1 59 . 1 . 1 7 7 CYS H H 1 8.653 0.020 . 1 . . . . A 302 CYS H . 36251 1 60 . 1 . 1 7 7 CYS HA H 1 3.984 0.020 . 1 . . . . A 302 CYS HA . 36251 1 61 . 1 . 1 7 7 CYS HB2 H 1 3.397 0.020 . 2 . . . . A 302 CYS HB2 . 36251 1 62 . 1 . 1 7 7 CYS HB3 H 1 2.568 0.020 . 2 . . . . A 302 CYS HB3 . 36251 1 63 . 1 . 1 7 7 CYS C C 13 176.960 0.400 . 1 . . . . A 302 CYS C . 36251 1 64 . 1 . 1 7 7 CYS CA C 13 59.615 0.400 . 1 . . . . A 302 CYS CA . 36251 1 65 . 1 . 1 7 7 CYS CB C 13 32.188 0.400 . 1 . . . . A 302 CYS CB . 36251 1 66 . 1 . 1 7 7 CYS N N 15 123.278 0.400 . 1 . . . . A 302 CYS N . 36251 1 67 . 1 . 1 8 8 VAL H H 1 8.603 0.020 . 1 . . . . A 303 VAL H . 36251 1 68 . 1 . 1 8 8 VAL HA H 1 4.134 0.020 . 1 . . . . A 303 VAL HA . 36251 1 69 . 1 . 1 8 8 VAL HB H 1 2.491 0.020 . 1 . . . . A 303 VAL HB . 36251 1 70 . 1 . 1 8 8 VAL HG11 H 1 1.197 0.020 . 2 . . . . A 303 VAL HG11 . 36251 1 71 . 1 . 1 8 8 VAL HG12 H 1 1.197 0.020 . 2 . . . . A 303 VAL HG12 . 36251 1 72 . 1 . 1 8 8 VAL HG13 H 1 1.197 0.020 . 2 . . . . A 303 VAL HG13 . 36251 1 73 . 1 . 1 8 8 VAL HG21 H 1 0.961 0.020 . 2 . . . . A 303 VAL HG21 . 36251 1 74 . 1 . 1 8 8 VAL HG22 H 1 0.961 0.020 . 2 . . . . A 303 VAL HG22 . 36251 1 75 . 1 . 1 8 8 VAL HG23 H 1 0.961 0.020 . 2 . . . . A 303 VAL HG23 . 36251 1 76 . 1 . 1 8 8 VAL C C 13 175.618 0.400 . 1 . . . . A 303 VAL C . 36251 1 77 . 1 . 1 8 8 VAL CA C 13 63.348 0.400 . 1 . . . . A 303 VAL CA . 36251 1 78 . 1 . 1 8 8 VAL CB C 13 31.573 0.400 . 1 . . . . A 303 VAL CB . 36251 1 79 . 1 . 1 8 8 VAL CG1 C 13 21.258 0.400 . 1 . . . . A 303 VAL CG1 . 36251 1 80 . 1 . 1 8 8 VAL CG2 C 13 18.735 0.400 . 1 . . . . A 303 VAL CG2 . 36251 1 81 . 1 . 1 8 8 VAL N N 15 121.878 0.400 . 1 . . . . A 303 VAL N . 36251 1 82 . 1 . 1 9 9 VAL H H 1 9.367 0.020 . 1 . . . . A 304 VAL H . 36251 1 83 . 1 . 1 9 9 VAL HA H 1 3.989 0.020 . 1 . . . . A 304 VAL HA . 36251 1 84 . 1 . 1 9 9 VAL HB H 1 2.755 0.020 . 1 . . . . A 304 VAL HB . 36251 1 85 . 1 . 1 9 9 VAL HG11 H 1 1.016 0.020 . 1 . . . . A 304 VAL HG11 . 36251 1 86 . 1 . 1 9 9 VAL HG12 H 1 1.016 0.020 . 1 . . . . A 304 VAL HG12 . 36251 1 87 . 1 . 1 9 9 VAL HG13 H 1 1.016 0.020 . 1 . . . . A 304 VAL HG13 . 36251 1 88 . 1 . 1 9 9 VAL HG21 H 1 1.016 0.020 . 1 . . . . A 304 VAL HG21 . 36251 1 89 . 1 . 1 9 9 VAL HG22 H 1 1.016 0.020 . 1 . . . . A 304 VAL HG22 . 36251 1 90 . 1 . 1 9 9 VAL HG23 H 1 1.016 0.020 . 1 . . . . A 304 VAL HG23 . 36251 1 91 . 1 . 1 9 9 VAL C C 13 177.062 0.400 . 1 . . . . A 304 VAL C . 36251 1 92 . 1 . 1 9 9 VAL CA C 13 65.466 0.400 . 1 . . . . A 304 VAL CA . 36251 1 93 . 1 . 1 9 9 VAL CB C 13 31.228 0.400 . 1 . . . . A 304 VAL CB . 36251 1 94 . 1 . 1 9 9 VAL CG1 C 13 21.588 0.400 . 1 . . . . A 304 VAL CG1 . 36251 1 95 . 1 . 1 9 9 VAL CG2 C 13 21.571 0.400 . 1 . . . . A 304 VAL CG2 . 36251 1 96 . 1 . 1 9 9 VAL N N 15 125.414 0.400 . 1 . . . . A 304 VAL N . 36251 1 97 . 1 . 1 10 10 CYS H H 1 8.284 0.020 . 1 . . . . A 305 CYS H . 36251 1 98 . 1 . 1 10 10 CYS HA H 1 4.684 0.020 . 1 . . . . A 305 CYS HA . 36251 1 99 . 1 . 1 10 10 CYS HB2 H 1 3.138 0.020 . 2 . . . . A 305 CYS HB2 . 36251 1 100 . 1 . 1 10 10 CYS HB3 H 1 2.780 0.020 . 2 . . . . A 305 CYS HB3 . 36251 1 101 . 1 . 1 10 10 CYS C C 13 176.598 0.400 . 1 . . . . A 305 CYS C . 36251 1 102 . 1 . 1 10 10 CYS CA C 13 58.998 0.400 . 1 . . . . A 305 CYS CA . 36251 1 103 . 1 . 1 10 10 CYS CB C 13 32.315 0.400 . 1 . . . . A 305 CYS CB . 36251 1 104 . 1 . 1 10 10 CYS N N 15 117.561 0.400 . 1 . . . . A 305 CYS N . 36251 1 105 . 1 . 1 11 11 LEU H H 1 7.898 0.020 . 1 . . . . A 306 LEU H . 36251 1 106 . 1 . 1 11 11 LEU HA H 1 4.295 0.020 . 1 . . . . A 306 LEU HA . 36251 1 107 . 1 . 1 11 11 LEU HB2 H 1 2.017 0.020 . 2 . . . . A 306 LEU HB2 . 36251 1 108 . 1 . 1 11 11 LEU HB3 H 1 1.659 0.020 . 2 . . . . A 306 LEU HB3 . 36251 1 109 . 1 . 1 11 11 LEU HG H 1 1.437 0.020 . 1 . . . . A 306 LEU HG . 36251 1 110 . 1 . 1 11 11 LEU HD11 H 1 0.876 0.020 . 1 . . . . A 306 LEU HD11 . 36251 1 111 . 1 . 1 11 11 LEU HD12 H 1 0.876 0.020 . 1 . . . . A 306 LEU HD12 . 36251 1 112 . 1 . 1 11 11 LEU HD13 H 1 0.876 0.020 . 1 . . . . A 306 LEU HD13 . 36251 1 113 . 1 . 1 11 11 LEU HD21 H 1 0.875 0.020 . 1 . . . . A 306 LEU HD21 . 36251 1 114 . 1 . 1 11 11 LEU HD22 H 1 0.875 0.020 . 1 . . . . A 306 LEU HD22 . 36251 1 115 . 1 . 1 11 11 LEU HD23 H 1 0.875 0.020 . 1 . . . . A 306 LEU HD23 . 36251 1 116 . 1 . 1 11 11 LEU C C 13 177.004 0.400 . 1 . . . . A 306 LEU C . 36251 1 117 . 1 . 1 11 11 LEU CA C 13 56.941 0.400 . 1 . . . . A 306 LEU CA . 36251 1 118 . 1 . 1 11 11 LEU CB C 13 39.695 0.400 . 1 . . . . A 306 LEU CB . 36251 1 119 . 1 . 1 11 11 LEU CG C 13 27.087 0.400 . 1 . . . . A 306 LEU CG . 36251 1 120 . 1 . 1 11 11 LEU CD1 C 13 25.454 0.400 . 1 . . . . A 306 LEU CD1 . 36251 1 121 . 1 . 1 11 11 LEU CD2 C 13 23.236 0.400 . 1 . . . . A 306 LEU CD2 . 36251 1 122 . 1 . 1 11 11 LEU N N 15 121.056 0.400 . 1 . . . . A 306 LEU N . 36251 1 123 . 1 . 1 12 12 SER H H 1 8.385 0.020 . 1 . . . . A 307 SER H . 36251 1 124 . 1 . 1 12 12 SER HA H 1 4.659 0.020 . 1 . . . . A 307 SER HA . 36251 1 125 . 1 . 1 12 12 SER HB2 H 1 3.832 0.020 . 2 . . . . A 307 SER HB2 . 36251 1 126 . 1 . 1 12 12 SER HB3 H 1 3.780 0.020 . 2 . . . . A 307 SER HB3 . 36251 1 127 . 1 . 1 12 12 SER C C 13 173.673 0.400 . 1 . . . . A 307 SER C . 36251 1 128 . 1 . 1 12 12 SER CA C 13 59.108 0.400 . 1 . . . . A 307 SER CA . 36251 1 129 . 1 . 1 12 12 SER CB C 13 64.879 0.400 . 1 . . . . A 307 SER CB . 36251 1 130 . 1 . 1 12 12 SER N N 15 114.318 0.400 . 1 . . . . A 307 SER N . 36251 1 131 . 1 . 1 13 13 SER H H 1 7.595 0.020 . 1 . . . . A 308 SER H . 36251 1 132 . 1 . 1 13 13 SER HA H 1 4.449 0.020 . 1 . . . . A 308 SER HA . 36251 1 133 . 1 . 1 13 13 SER HB2 H 1 3.873 0.020 . 1 . . . . A 308 SER HB2 . 36251 1 134 . 1 . 1 13 13 SER HB3 H 1 3.873 0.020 . 1 . . . . A 308 SER HB3 . 36251 1 135 . 1 . 1 13 13 SER C C 13 172.807 0.400 . 1 . . . . A 308 SER C . 36251 1 136 . 1 . 1 13 13 SER CA C 13 57.501 0.400 . 1 . . . . A 308 SER CA . 36251 1 137 . 1 . 1 13 13 SER CB C 13 64.602 0.400 . 1 . . . . A 308 SER CB . 36251 1 138 . 1 . 1 13 13 SER N N 15 118.084 0.400 . 1 . . . . A 308 SER N . 36251 1 139 . 1 . 1 14 14 PHE H H 1 8.224 0.020 . 1 . . . . A 309 PHE H . 36251 1 140 . 1 . 1 14 14 PHE HA H 1 4.811 0.020 . 1 . . . . A 309 PHE HA . 36251 1 141 . 1 . 1 14 14 PHE HB2 H 1 3.247 0.020 . 2 . . . . A 309 PHE HB2 . 36251 1 142 . 1 . 1 14 14 PHE HB3 H 1 2.857 0.020 . 2 . . . . A 309 PHE HB3 . 36251 1 143 . 1 . 1 14 14 PHE HD1 H 1 7.207 0.020 . 1 . . . . A 309 PHE HD1 . 36251 1 144 . 1 . 1 14 14 PHE HD2 H 1 7.207 0.020 . 1 . . . . A 309 PHE HD2 . 36251 1 145 . 1 . 1 14 14 PHE HE1 H 1 7.319 0.020 . 1 . . . . A 309 PHE HE1 . 36251 1 146 . 1 . 1 14 14 PHE HE2 H 1 7.319 0.020 . 1 . . . . A 309 PHE HE2 . 36251 1 147 . 1 . 1 14 14 PHE C C 13 176.545 0.400 . 1 . . . . A 309 PHE C . 36251 1 148 . 1 . 1 14 14 PHE CA C 13 57.311 0.400 . 1 . . . . A 309 PHE CA . 36251 1 149 . 1 . 1 14 14 PHE CB C 13 39.336 0.400 . 1 . . . . A 309 PHE CB . 36251 1 150 . 1 . 1 14 14 PHE N N 15 120.323 0.400 . 1 . . . . A 309 PHE N . 36251 1 151 . 1 . 1 15 15 LYS H H 1 8.389 0.020 . 1 . . . . A 310 LYS H . 36251 1 152 . 1 . 1 15 15 LYS HA H 1 3.586 0.020 . 1 . . . . A 310 LYS HA . 36251 1 153 . 1 . 1 15 15 LYS HB2 H 1 1.605 0.020 . 2 . . . . A 310 LYS HB2 . 36251 1 154 . 1 . 1 15 15 LYS HB3 H 1 1.426 0.020 . 2 . . . . A 310 LYS HB3 . 36251 1 155 . 1 . 1 15 15 LYS HG2 H 1 1.275 0.020 . 2 . . . . A 310 LYS HG2 . 36251 1 156 . 1 . 1 15 15 LYS HG3 H 1 0.928 0.020 . 2 . . . . A 310 LYS HG3 . 36251 1 157 . 1 . 1 15 15 LYS HD2 H 1 1.573 0.020 . 2 . . . . A 310 LYS HD2 . 36251 1 158 . 1 . 1 15 15 LYS HD3 H 1 1.469 0.020 . 2 . . . . A 310 LYS HD3 . 36251 1 159 . 1 . 1 15 15 LYS HE2 H 1 2.957 0.020 . 2 . . . . A 310 LYS HE2 . 36251 1 160 . 1 . 1 15 15 LYS HE3 H 1 2.898 0.020 . 2 . . . . A 310 LYS HE3 . 36251 1 161 . 1 . 1 15 15 LYS C C 13 177.705 0.400 . 1 . . . . A 310 LYS C . 36251 1 162 . 1 . 1 15 15 LYS CA C 13 57.749 0.400 . 1 . . . . A 310 LYS CA . 36251 1 163 . 1 . 1 15 15 LYS CB C 13 33.581 0.400 . 1 . . . . A 310 LYS CB . 36251 1 164 . 1 . 1 15 15 LYS CG C 13 25.153 0.400 . 1 . . . . A 310 LYS CG . 36251 1 165 . 1 . 1 15 15 LYS CD C 13 30.274 0.400 . 1 . . . . A 310 LYS CD . 36251 1 166 . 1 . 1 15 15 LYS CE C 13 42.263 0.400 . 1 . . . . A 310 LYS CE . 36251 1 167 . 1 . 1 15 15 LYS N N 15 120.189 0.400 . 1 . . . . A 310 LYS N . 36251 1 168 . 1 . 1 16 16 SER H H 1 8.738 0.020 . 1 . . . . A 311 SER H . 36251 1 169 . 1 . 1 16 16 SER HA H 1 4.769 0.020 . 1 . . . . A 311 SER HA . 36251 1 170 . 1 . 1 16 16 SER HB2 H 1 4.287 0.020 . 2 . . . . A 311 SER HB2 . 36251 1 171 . 1 . 1 16 16 SER HB3 H 1 3.753 0.020 . 2 . . . . A 311 SER HB3 . 36251 1 172 . 1 . 1 16 16 SER C C 13 173.823 0.400 . 1 . . . . A 311 SER C . 36251 1 173 . 1 . 1 16 16 SER CA C 13 58.575 0.400 . 1 . . . . A 311 SER CA . 36251 1 174 . 1 . 1 16 16 SER CB C 13 65.746 0.400 . 1 . . . . A 311 SER CB . 36251 1 175 . 1 . 1 16 16 SER N N 15 113.299 0.400 . 1 . . . . A 311 SER N . 36251 1 176 . 1 . 1 17 17 CYS H H 1 7.495 0.020 . 1 . . . . A 312 CYS H . 36251 1 177 . 1 . 1 17 17 CYS HA H 1 5.199 0.020 . 1 . . . . A 312 CYS HA . 36251 1 178 . 1 . 1 17 17 CYS HB2 H 1 2.879 0.020 . 2 . . . . A 312 CYS HB2 . 36251 1 179 . 1 . 1 17 17 CYS HB3 H 1 2.263 0.020 . 2 . . . . A 312 CYS HB3 . 36251 1 180 . 1 . 1 17 17 CYS C C 13 171.839 0.400 . 1 . . . . A 312 CYS C . 36251 1 181 . 1 . 1 17 17 CYS CA C 13 56.540 0.400 . 1 . . . . A 312 CYS CA . 36251 1 182 . 1 . 1 17 17 CYS CB C 13 31.230 0.400 . 1 . . . . A 312 CYS CB . 36251 1 183 . 1 . 1 17 17 CYS N N 15 115.980 0.400 . 1 . . . . A 312 CYS N . 36251 1 184 . 1 . 1 18 18 VAL H H 1 9.173 0.020 . 1 . . . . A 313 VAL H . 36251 1 185 . 1 . 1 18 18 VAL HA H 1 4.207 0.020 . 1 . . . . A 313 VAL HA . 36251 1 186 . 1 . 1 18 18 VAL HB H 1 1.856 0.020 . 1 . . . . A 313 VAL HB . 36251 1 187 . 1 . 1 18 18 VAL HG11 H 1 0.720 0.020 . 1 . . . . A 313 VAL HG11 . 36251 1 188 . 1 . 1 18 18 VAL HG12 H 1 0.720 0.020 . 1 . . . . A 313 VAL HG12 . 36251 1 189 . 1 . 1 18 18 VAL HG13 H 1 0.720 0.020 . 1 . . . . A 313 VAL HG13 . 36251 1 190 . 1 . 1 18 18 VAL HG21 H 1 0.720 0.020 . 1 . . . . A 313 VAL HG21 . 36251 1 191 . 1 . 1 18 18 VAL HG22 H 1 0.720 0.020 . 1 . . . . A 313 VAL HG22 . 36251 1 192 . 1 . 1 18 18 VAL HG23 H 1 0.720 0.020 . 1 . . . . A 313 VAL HG23 . 36251 1 193 . 1 . 1 18 18 VAL C C 13 175.058 0.400 . 1 . . . . A 313 VAL C . 36251 1 194 . 1 . 1 18 18 VAL CA C 13 60.370 0.400 . 1 . . . . A 313 VAL CA . 36251 1 195 . 1 . 1 18 18 VAL CB C 13 34.135 0.400 . 1 . . . . A 313 VAL CB . 36251 1 196 . 1 . 1 18 18 VAL CG1 C 13 20.968 0.400 . 1 . . . . A 313 VAL CG1 . 36251 1 197 . 1 . 1 18 18 VAL CG2 C 13 20.670 0.400 . 1 . . . . A 313 VAL CG2 . 36251 1 198 . 1 . 1 18 18 VAL N N 15 122.795 0.400 . 1 . . . . A 313 VAL N . 36251 1 199 . 1 . 1 19 19 PHE H H 1 8.222 0.020 . 1 . . . . A 314 PHE H . 36251 1 200 . 1 . 1 19 19 PHE HA H 1 5.263 0.020 . 1 . . . . A 314 PHE HA . 36251 1 201 . 1 . 1 19 19 PHE HB2 H 1 3.624 0.020 . 2 . . . . A 314 PHE HB2 . 36251 1 202 . 1 . 1 19 19 PHE HB3 H 1 3.154 0.020 . 2 . . . . A 314 PHE HB3 . 36251 1 203 . 1 . 1 19 19 PHE HD1 H 1 7.393 0.020 . 1 . . . . A 314 PHE HD1 . 36251 1 204 . 1 . 1 19 19 PHE HD2 H 1 7.393 0.020 . 1 . . . . A 314 PHE HD2 . 36251 1 205 . 1 . 1 19 19 PHE HE1 H 1 7.223 0.020 . 1 . . . . A 314 PHE HE1 . 36251 1 206 . 1 . 1 19 19 PHE HE2 H 1 7.223 0.020 . 1 . . . . A 314 PHE HE2 . 36251 1 207 . 1 . 1 19 19 PHE C C 13 173.716 0.400 . 1 . . . . A 314 PHE C . 36251 1 208 . 1 . 1 19 19 PHE CA C 13 52.971 0.400 . 1 . . . . A 314 PHE CA . 36251 1 209 . 1 . 1 19 19 PHE CB C 13 38.818 0.400 . 1 . . . . A 314 PHE CB . 36251 1 210 . 1 . 1 19 19 PHE N N 15 124.792 0.400 . 1 . . . . A 314 PHE N . 36251 1 211 . 1 . 1 20 20 LEU H H 1 8.692 0.020 . 1 . . . . A 315 LEU H . 36251 1 212 . 1 . 1 20 20 LEU HA H 1 4.617 0.020 . 1 . . . . A 315 LEU HA . 36251 1 213 . 1 . 1 20 20 LEU HB2 H 1 1.718 0.020 . 2 . . . . A 315 LEU HB2 . 36251 1 214 . 1 . 1 20 20 LEU HB3 H 1 1.367 0.020 . 2 . . . . A 315 LEU HB3 . 36251 1 215 . 1 . 1 20 20 LEU HG H 1 1.486 0.020 . 1 . . . . A 315 LEU HG . 36251 1 216 . 1 . 1 20 20 LEU HD11 H 1 0.776 0.020 . 2 . . . . A 315 LEU HD11 . 36251 1 217 . 1 . 1 20 20 LEU HD12 H 1 0.776 0.020 . 2 . . . . A 315 LEU HD12 . 36251 1 218 . 1 . 1 20 20 LEU HD13 H 1 0.776 0.020 . 2 . . . . A 315 LEU HD13 . 36251 1 219 . 1 . 1 20 20 LEU HD21 H 1 0.746 0.020 . 2 . . . . A 315 LEU HD21 . 36251 1 220 . 1 . 1 20 20 LEU HD22 H 1 0.746 0.020 . 2 . . . . A 315 LEU HD22 . 36251 1 221 . 1 . 1 20 20 LEU HD23 H 1 0.746 0.020 . 2 . . . . A 315 LEU HD23 . 36251 1 222 . 1 . 1 20 20 LEU C C 13 177.722 0.400 . 1 . . . . A 315 LEU C . 36251 1 223 . 1 . 1 20 20 LEU CA C 13 50.162 0.400 . 1 . . . . A 315 LEU CA . 36251 1 224 . 1 . 1 20 20 LEU CB C 13 42.016 0.400 . 1 . . . . A 315 LEU CB . 36251 1 225 . 1 . 1 20 20 LEU CG C 13 27.701 0.400 . 1 . . . . A 315 LEU CG . 36251 1 226 . 1 . 1 20 20 LEU CD1 C 13 25.410 0.400 . 1 . . . . A 315 LEU CD1 . 36251 1 227 . 1 . 1 20 20 LEU CD2 C 13 23.216 0.400 . 1 . . . . A 315 LEU CD2 . 36251 1 228 . 1 . 1 20 20 LEU N N 15 121.283 0.400 . 1 . . . . A 315 LEU N . 36251 1 229 . 1 . 1 21 21 GLU H H 1 7.991 0.020 . 1 . . . . A 316 GLU H . 36251 1 230 . 1 . 1 21 21 GLU HA H 1 4.053 0.020 . 1 . . . . A 316 GLU HA . 36251 1 231 . 1 . 1 21 21 GLU HB2 H 1 2.354 0.020 . 2 . . . . A 316 GLU HB2 . 36251 1 232 . 1 . 1 21 21 GLU HB3 H 1 1.807 0.020 . 2 . . . . A 316 GLU HB3 . 36251 1 233 . 1 . 1 21 21 GLU HG2 H 1 2.413 0.020 . 2 . . . . A 316 GLU HG2 . 36251 1 234 . 1 . 1 21 21 GLU HG3 H 1 2.253 0.020 . 2 . . . . A 316 GLU HG3 . 36251 1 235 . 1 . 1 21 21 GLU C C 13 178.109 0.400 . 1 . . . . A 316 GLU C . 36251 1 236 . 1 . 1 21 21 GLU CA C 13 58.807 0.400 . 1 . . . . A 316 GLU CA . 36251 1 237 . 1 . 1 21 21 GLU CB C 13 31.352 0.400 . 1 . . . . A 316 GLU CB . 36251 1 238 . 1 . 1 21 21 GLU CG C 13 35.606 0.400 . 1 . . . . A 316 GLU CG . 36251 1 239 . 1 . 1 21 21 GLU N N 15 117.607 0.400 . 1 . . . . A 316 GLU N . 36251 1 240 . 1 . 1 22 22 CYS H H 1 9.060 0.020 . 1 . . . . A 317 CYS H . 36251 1 241 . 1 . 1 22 22 CYS HA H 1 4.257 0.020 . 1 . . . . A 317 CYS HA . 36251 1 242 . 1 . 1 22 22 CYS HB2 H 1 2.881 0.020 . 2 . . . . A 317 CYS HB2 . 36251 1 243 . 1 . 1 22 22 CYS HB3 H 1 2.774 0.020 . 2 . . . . A 317 CYS HB3 . 36251 1 244 . 1 . 1 22 22 CYS C C 13 176.743 0.400 . 1 . . . . A 317 CYS C . 36251 1 245 . 1 . 1 22 22 CYS CA C 13 61.474 0.400 . 1 . . . . A 317 CYS CA . 36251 1 246 . 1 . 1 22 22 CYS CB C 13 31.291 0.400 . 1 . . . . A 317 CYS CB . 36251 1 247 . 1 . 1 22 22 CYS N N 15 121.632 0.400 . 1 . . . . A 317 CYS N . 36251 1 248 . 1 . 1 23 23 GLY H H 1 8.841 0.020 . 1 . . . . A 318 GLY H . 36251 1 249 . 1 . 1 23 23 GLY HA2 H 1 4.033 0.020 . 2 . . . . A 318 GLY HA2 . 36251 1 250 . 1 . 1 23 23 GLY HA3 H 1 3.444 0.020 . 2 . . . . A 318 GLY HA3 . 36251 1 251 . 1 . 1 23 23 GLY C C 13 174.079 0.400 . 1 . . . . A 318 GLY C . 36251 1 252 . 1 . 1 23 23 GLY CA C 13 45.940 0.400 . 1 . . . . A 318 GLY CA . 36251 1 253 . 1 . 1 23 23 GLY N N 15 111.596 0.400 . 1 . . . . A 318 GLY N . 36251 1 254 . 1 . 1 24 24 HIS H H 1 8.666 0.020 . 1 . . . . A 319 HIS H . 36251 1 255 . 1 . 1 24 24 HIS HA H 1 4.534 0.020 . 1 . . . . A 319 HIS HA . 36251 1 256 . 1 . 1 24 24 HIS HB2 H 1 3.638 0.020 . 2 . . . . A 319 HIS HB2 . 36251 1 257 . 1 . 1 24 24 HIS HB3 H 1 2.830 0.020 . 2 . . . . A 319 HIS HB3 . 36251 1 258 . 1 . 1 24 24 HIS HD2 H 1 7.288 0.020 . 1 . . . . A 319 HIS HD2 . 36251 1 259 . 1 . 1 24 24 HIS C C 13 174.498 0.400 . 1 . . . . A 319 HIS C . 36251 1 260 . 1 . 1 24 24 HIS CA C 13 61.351 0.400 . 1 . . . . A 319 HIS CA . 36251 1 261 . 1 . 1 24 24 HIS CB C 13 31.244 0.400 . 1 . . . . A 319 HIS CB . 36251 1 262 . 1 . 1 24 24 HIS N N 15 120.557 0.400 . 1 . . . . A 319 HIS N . 36251 1 263 . 1 . 1 25 25 VAL H H 1 8.567 0.020 . 1 . . . . A 320 VAL H . 36251 1 264 . 1 . 1 25 25 VAL HA H 1 4.408 0.020 . 1 . . . . A 320 VAL HA . 36251 1 265 . 1 . 1 25 25 VAL HB H 1 2.109 0.020 . 1 . . . . A 320 VAL HB . 36251 1 266 . 1 . 1 25 25 VAL HG11 H 1 0.893 0.020 . 2 . . . . A 320 VAL HG11 . 36251 1 267 . 1 . 1 25 25 VAL HG12 H 1 0.893 0.020 . 2 . . . . A 320 VAL HG12 . 36251 1 268 . 1 . 1 25 25 VAL HG13 H 1 0.893 0.020 . 2 . . . . A 320 VAL HG13 . 36251 1 269 . 1 . 1 25 25 VAL HG21 H 1 0.740 0.020 . 2 . . . . A 320 VAL HG21 . 36251 1 270 . 1 . 1 25 25 VAL HG22 H 1 0.740 0.020 . 2 . . . . A 320 VAL HG22 . 36251 1 271 . 1 . 1 25 25 VAL HG23 H 1 0.740 0.020 . 2 . . . . A 320 VAL HG23 . 36251 1 272 . 1 . 1 25 25 VAL C C 13 175.275 0.400 . 1 . . . . A 320 VAL C . 36251 1 273 . 1 . 1 25 25 VAL CA C 13 60.770 0.400 . 1 . . . . A 320 VAL CA . 36251 1 274 . 1 . 1 25 25 VAL CB C 13 31.302 0.400 . 1 . . . . A 320 VAL CB . 36251 1 275 . 1 . 1 25 25 VAL CG1 C 13 21.382 0.400 . 1 . . . . A 320 VAL CG1 . 36251 1 276 . 1 . 1 25 25 VAL CG2 C 13 21.382 0.400 . 1 . . . . A 320 VAL CG2 . 36251 1 277 . 1 . 1 25 25 VAL N N 15 123.167 0.400 . 1 . . . . A 320 VAL N . 36251 1 278 . 1 . 1 26 26 CYS H H 1 9.345 0.020 . 1 . . . . A 321 CYS H . 36251 1 279 . 1 . 1 26 26 CYS HA H 1 4.969 0.020 . 1 . . . . A 321 CYS HA . 36251 1 280 . 1 . 1 26 26 CYS HB2 H 1 3.061 0.020 . 2 . . . . A 321 CYS HB2 . 36251 1 281 . 1 . 1 26 26 CYS HB3 H 1 2.805 0.020 . 2 . . . . A 321 CYS HB3 . 36251 1 282 . 1 . 1 26 26 CYS C C 13 171.639 0.400 . 1 . . . . A 321 CYS C . 36251 1 283 . 1 . 1 26 26 CYS CA C 13 56.973 0.400 . 1 . . . . A 321 CYS CA . 36251 1 284 . 1 . 1 26 26 CYS CB C 13 31.735 0.400 . 1 . . . . A 321 CYS CB . 36251 1 285 . 1 . 1 26 26 CYS N N 15 117.985 0.400 . 1 . . . . A 321 CYS N . 36251 1 286 . 1 . 1 27 27 SER H H 1 8.186 0.020 . 1 . . . . A 322 SER H . 36251 1 287 . 1 . 1 27 27 SER HA H 1 6.587 0.020 . 1 . . . . A 322 SER HA . 36251 1 288 . 1 . 1 27 27 SER HB2 H 1 3.595 0.020 . 2 . . . . A 322 SER HB2 . 36251 1 289 . 1 . 1 27 27 SER HB3 H 1 3.763 0.020 . 2 . . . . A 322 SER HB3 . 36251 1 290 . 1 . 1 27 27 SER C C 13 174.745 0.400 . 1 . . . . A 322 SER C . 36251 1 291 . 1 . 1 27 27 SER CA C 13 56.706 0.400 . 1 . . . . A 322 SER CA . 36251 1 292 . 1 . 1 27 27 SER CB C 13 68.804 0.400 . 1 . . . . A 322 SER CB . 36251 1 293 . 1 . 1 27 27 SER N N 15 119.480 0.400 . 1 . . . . A 322 SER N . 36251 1 294 . 1 . 1 28 28 CYS H H 1 9.728 0.020 . 1 . . . . A 323 CYS H . 36251 1 295 . 1 . 1 28 28 CYS HA H 1 5.551 0.020 . 1 . . . . A 323 CYS HA . 36251 1 296 . 1 . 1 28 28 CYS HB2 H 1 3.595 0.020 . 2 . . . . A 323 CYS HB2 . 36251 1 297 . 1 . 1 28 28 CYS HB3 H 1 2.851 0.020 . 2 . . . . A 323 CYS HB3 . 36251 1 298 . 1 . 1 28 28 CYS C C 13 177.694 0.400 . 1 . . . . A 323 CYS C . 36251 1 299 . 1 . 1 28 28 CYS CA C 13 58.178 0.400 . 1 . . . . A 323 CYS CA . 36251 1 300 . 1 . 1 28 28 CYS CB C 13 32.083 0.400 . 1 . . . . A 323 CYS CB . 36251 1 301 . 1 . 1 28 28 CYS N N 15 125.110 0.400 . 1 . . . . A 323 CYS N . 36251 1 302 . 1 . 1 29 29 THR HA H 1 4.051 0.020 . 1 . . . . A 324 THR HA . 36251 1 303 . 1 . 1 29 29 THR HB H 1 4.223 0.020 . 1 . . . . A 324 THR HB . 36251 1 304 . 1 . 1 29 29 THR HG21 H 1 1.320 0.020 . 1 . . . . A 324 THR HG21 . 36251 1 305 . 1 . 1 29 29 THR HG22 H 1 1.320 0.020 . 1 . . . . A 324 THR HG22 . 36251 1 306 . 1 . 1 29 29 THR HG23 H 1 1.320 0.020 . 1 . . . . A 324 THR HG23 . 36251 1 307 . 1 . 1 29 29 THR C C 13 176.132 0.400 . 1 . . . . A 324 THR C . 36251 1 308 . 1 . 1 29 29 THR CA C 13 66.695 0.400 . 1 . . . . A 324 THR CA . 36251 1 309 . 1 . 1 29 29 THR CB C 13 68.463 0.400 . 1 . . . . A 324 THR CB . 36251 1 310 . 1 . 1 29 29 THR CG2 C 13 22.638 0.400 . 1 . . . . A 324 THR CG2 . 36251 1 311 . 1 . 1 30 30 GLU H H 1 8.503 0.020 . 1 . . . . A 325 GLU H . 36251 1 312 . 1 . 1 30 30 GLU HA H 1 4.055 0.020 . 1 . . . . A 325 GLU HA . 36251 1 313 . 1 . 1 30 30 GLU HB2 H 1 2.370 0.020 . 2 . . . . A 325 GLU HB2 . 36251 1 314 . 1 . 1 30 30 GLU HB3 H 1 2.097 0.020 . 2 . . . . A 325 GLU HB3 . 36251 1 315 . 1 . 1 30 30 GLU HG2 H 1 2.474 0.020 . 2 . . . . A 325 GLU HG2 . 36251 1 316 . 1 . 1 30 30 GLU HG3 H 1 2.346 0.020 . 2 . . . . A 325 GLU HG3 . 36251 1 317 . 1 . 1 30 30 GLU C C 13 180.128 0.400 . 1 . . . . A 325 GLU C . 36251 1 318 . 1 . 1 30 30 GLU CA C 13 60.789 0.400 . 1 . . . . A 325 GLU CA . 36251 1 319 . 1 . 1 30 30 GLU CB C 13 29.026 0.400 . 1 . . . . A 325 GLU CB . 36251 1 320 . 1 . 1 30 30 GLU CG C 13 37.241 0.400 . 1 . . . . A 325 GLU CG . 36251 1 321 . 1 . 1 30 30 GLU N N 15 124.044 0.400 . 1 . . . . A 325 GLU N . 36251 1 322 . 1 . 1 31 31 CYS H H 1 9.268 0.020 . 1 . . . . A 326 CYS H . 36251 1 323 . 1 . 1 31 31 CYS HA H 1 3.987 0.020 . 1 . . . . A 326 CYS HA . 36251 1 324 . 1 . 1 31 31 CYS HB2 H 1 3.026 0.020 . 2 . . . . A 326 CYS HB2 . 36251 1 325 . 1 . 1 31 31 CYS HB3 H 1 2.718 0.020 . 2 . . . . A 326 CYS HB3 . 36251 1 326 . 1 . 1 31 31 CYS C C 13 178.748 0.400 . 1 . . . . A 326 CYS C . 36251 1 327 . 1 . 1 31 31 CYS CA C 13 65.441 0.400 . 1 . . . . A 326 CYS CA . 36251 1 328 . 1 . 1 31 31 CYS CB C 13 28.674 0.400 . 1 . . . . A 326 CYS CB . 36251 1 329 . 1 . 1 31 31 CYS N N 15 124.175 0.400 . 1 . . . . A 326 CYS N . 36251 1 330 . 1 . 1 32 32 TYR H H 1 7.521 0.020 . 1 . . . . A 327 TYR H . 36251 1 331 . 1 . 1 32 32 TYR HA H 1 4.321 0.020 . 1 . . . . A 327 TYR HA . 36251 1 332 . 1 . 1 32 32 TYR HB2 H 1 3.407 0.020 . 1 . . . . A 327 TYR HB2 . 36251 1 333 . 1 . 1 32 32 TYR HB3 H 1 3.407 0.020 . 1 . . . . A 327 TYR HB3 . 36251 1 334 . 1 . 1 32 32 TYR HD1 H 1 6.998 0.020 . 1 . . . . A 327 TYR HD1 . 36251 1 335 . 1 . 1 32 32 TYR HD2 H 1 6.998 0.020 . 1 . . . . A 327 TYR HD2 . 36251 1 336 . 1 . 1 32 32 TYR HE1 H 1 6.494 0.020 . 1 . . . . A 327 TYR HE1 . 36251 1 337 . 1 . 1 32 32 TYR HE2 H 1 6.494 0.020 . 1 . . . . A 327 TYR HE2 . 36251 1 338 . 1 . 1 32 32 TYR C C 13 178.483 0.400 . 1 . . . . A 327 TYR C . 36251 1 339 . 1 . 1 32 32 TYR CA C 13 60.818 0.400 . 1 . . . . A 327 TYR CA . 36251 1 340 . 1 . 1 32 32 TYR CB C 13 37.440 0.400 . 1 . . . . A 327 TYR CB . 36251 1 341 . 1 . 1 32 32 TYR N N 15 119.306 0.400 . 1 . . . . A 327 TYR N . 36251 1 342 . 1 . 1 33 33 ARG H H 1 8.307 0.020 . 1 . . . . A 328 ARG H . 36251 1 343 . 1 . 1 33 33 ARG HA H 1 3.389 0.020 . 1 . . . . A 328 ARG HA . 36251 1 344 . 1 . 1 33 33 ARG HB2 H 1 1.936 0.020 . 1 . . . . A 328 ARG HB2 . 36251 1 345 . 1 . 1 33 33 ARG HB3 H 1 1.936 0.020 . 1 . . . . A 328 ARG HB3 . 36251 1 346 . 1 . 1 33 33 ARG HG2 H 1 1.984 0.020 . 2 . . . . A 328 ARG HG2 . 36251 1 347 . 1 . 1 33 33 ARG HG3 H 1 1.680 0.020 . 2 . . . . A 328 ARG HG3 . 36251 1 348 . 1 . 1 33 33 ARG HD2 H 1 3.230 0.020 . 1 . . . . A 328 ARG HD2 . 36251 1 349 . 1 . 1 33 33 ARG HD3 H 1 3.230 0.020 . 1 . . . . A 328 ARG HD3 . 36251 1 350 . 1 . 1 33 33 ARG C C 13 176.663 0.400 . 1 . . . . A 328 ARG C . 36251 1 351 . 1 . 1 33 33 ARG CA C 13 59.612 0.400 . 1 . . . . A 328 ARG CA . 36251 1 352 . 1 . 1 33 33 ARG CB C 13 29.754 0.400 . 1 . . . . A 328 ARG CB . 36251 1 353 . 1 . 1 33 33 ARG CG C 13 28.096 0.400 . 1 . . . . A 328 ARG CG . 36251 1 354 . 1 . 1 33 33 ARG CD C 13 43.558 0.400 . 1 . . . . A 328 ARG CD . 36251 1 355 . 1 . 1 33 33 ARG N N 15 121.269 0.400 . 1 . . . . A 328 ARG N . 36251 1 356 . 1 . 1 34 34 ALA H H 1 7.306 0.020 . 1 . . . . A 329 ALA H . 36251 1 357 . 1 . 1 34 34 ALA HA H 1 4.176 0.020 . 1 . . . . A 329 ALA HA . 36251 1 358 . 1 . 1 34 34 ALA HB1 H 1 1.434 0.020 . 1 . . . . A 329 ALA HB1 . 36251 1 359 . 1 . 1 34 34 ALA HB2 H 1 1.434 0.020 . 1 . . . . A 329 ALA HB2 . 36251 1 360 . 1 . 1 34 34 ALA HB3 H 1 1.434 0.020 . 1 . . . . A 329 ALA HB3 . 36251 1 361 . 1 . 1 34 34 ALA C C 13 177.941 0.400 . 1 . . . . A 329 ALA C . 36251 1 362 . 1 . 1 34 34 ALA CA C 13 52.301 0.400 . 1 . . . . A 329 ALA CA . 36251 1 363 . 1 . 1 34 34 ALA CB C 13 19.303 0.400 . 1 . . . . A 329 ALA CB . 36251 1 364 . 1 . 1 34 34 ALA N N 15 118.276 0.400 . 1 . . . . A 329 ALA N . 36251 1 365 . 1 . 1 35 35 LEU H H 1 7.174 0.020 . 1 . . . . A 330 LEU H . 36251 1 366 . 1 . 1 35 35 LEU HA H 1 4.308 0.020 . 1 . . . . A 330 LEU HA . 36251 1 367 . 1 . 1 35 35 LEU HB2 H 1 1.612 0.020 . 2 . . . . A 330 LEU HB2 . 36251 1 368 . 1 . 1 35 35 LEU HB3 H 1 1.454 0.020 . 2 . . . . A 330 LEU HB3 . 36251 1 369 . 1 . 1 35 35 LEU HG H 1 0.940 0.020 . 1 . . . . A 330 LEU HG . 36251 1 370 . 1 . 1 35 35 LEU HD11 H 1 0.982 0.020 . 1 . . . . A 330 LEU HD11 . 36251 1 371 . 1 . 1 35 35 LEU HD12 H 1 0.982 0.020 . 1 . . . . A 330 LEU HD12 . 36251 1 372 . 1 . 1 35 35 LEU HD13 H 1 0.982 0.020 . 1 . . . . A 330 LEU HD13 . 36251 1 373 . 1 . 1 35 35 LEU HD21 H 1 0.982 0.020 . 1 . . . . A 330 LEU HD21 . 36251 1 374 . 1 . 1 35 35 LEU HD22 H 1 0.982 0.020 . 1 . . . . A 330 LEU HD22 . 36251 1 375 . 1 . 1 35 35 LEU HD23 H 1 0.982 0.020 . 1 . . . . A 330 LEU HD23 . 36251 1 376 . 1 . 1 35 35 LEU C C 13 175.597 0.400 . 1 . . . . A 330 LEU C . 36251 1 377 . 1 . 1 35 35 LEU CA C 13 53.798 0.400 . 1 . . . . A 330 LEU CA . 36251 1 378 . 1 . 1 35 35 LEU CB C 13 41.082 0.400 . 1 . . . . A 330 LEU CB . 36251 1 379 . 1 . 1 35 35 LEU CG C 13 26.085 0.400 . 1 . . . . A 330 LEU CG . 36251 1 380 . 1 . 1 35 35 LEU CD1 C 13 22.149 0.400 . 1 . . . . A 330 LEU CD1 . 36251 1 381 . 1 . 1 35 35 LEU CD2 C 13 22.163 0.400 . 1 . . . . A 330 LEU CD2 . 36251 1 382 . 1 . 1 35 35 LEU N N 15 121.130 0.400 . 1 . . . . A 330 LEU N . 36251 1 383 . 1 . 1 36 36 PRO HA H 1 4.369 0.020 . 1 . . . . A 331 PRO HA . 36251 1 384 . 1 . 1 36 36 PRO HB2 H 1 2.258 0.020 . 2 . . . . A 331 PRO HB2 . 36251 1 385 . 1 . 1 36 36 PRO HB3 H 1 1.852 0.020 . 2 . . . . A 331 PRO HB3 . 36251 1 386 . 1 . 1 36 36 PRO HG2 H 1 2.033 0.020 . 2 . . . . A 331 PRO HG2 . 36251 1 387 . 1 . 1 36 36 PRO HG3 H 1 1.985 0.020 . 2 . . . . A 331 PRO HG3 . 36251 1 388 . 1 . 1 36 36 PRO HD2 H 1 3.877 0.020 . 2 . . . . A 331 PRO HD2 . 36251 1 389 . 1 . 1 36 36 PRO HD3 H 1 3.673 0.020 . 2 . . . . A 331 PRO HD3 . 36251 1 390 . 1 . 1 36 36 PRO C C 13 175.536 0.400 . 1 . . . . A 331 PRO C . 36251 1 391 . 1 . 1 36 36 PRO CA C 13 62.321 0.400 . 1 . . . . A 331 PRO CA . 36251 1 392 . 1 . 1 36 36 PRO CB C 13 31.989 0.400 . 1 . . . . A 331 PRO CB . 36251 1 393 . 1 . 1 36 36 PRO CG C 13 27.265 0.400 . 1 . . . . A 331 PRO CG . 36251 1 394 . 1 . 1 36 36 PRO CD C 13 50.588 0.400 . 1 . . . . A 331 PRO CD . 36251 1 395 . 1 . 1 37 37 GLU H H 1 8.249 0.020 . 1 . . . . A 332 GLU H . 36251 1 396 . 1 . 1 37 37 GLU HA H 1 4.352 0.020 . 1 . . . . A 332 GLU HA . 36251 1 397 . 1 . 1 37 37 GLU HB2 H 1 1.959 0.020 . 2 . . . . A 332 GLU HB2 . 36251 1 398 . 1 . 1 37 37 GLU HB3 H 1 1.769 0.020 . 2 . . . . A 332 GLU HB3 . 36251 1 399 . 1 . 1 37 37 GLU HG2 H 1 2.361 0.020 . 2 . . . . A 332 GLU HG2 . 36251 1 400 . 1 . 1 37 37 GLU HG3 H 1 2.190 0.020 . 2 . . . . A 332 GLU HG3 . 36251 1 401 . 1 . 1 37 37 GLU C C 13 176.255 0.400 . 1 . . . . A 332 GLU C . 36251 1 402 . 1 . 1 37 37 GLU CA C 13 54.123 0.400 . 1 . . . . A 332 GLU CA . 36251 1 403 . 1 . 1 37 37 GLU CB C 13 29.917 0.400 . 1 . . . . A 332 GLU CB . 36251 1 404 . 1 . 1 37 37 GLU CG C 13 36.031 0.400 . 1 . . . . A 332 GLU CG . 36251 1 405 . 1 . 1 37 37 GLU N N 15 118.374 0.400 . 1 . . . . A 332 GLU N . 36251 1 406 . 1 . 1 38 38 PRO HA H 1 4.750 0.020 . 1 . . . . A 333 PRO HA . 36251 1 407 . 1 . 1 38 38 PRO HB2 H 1 2.339 0.020 . 2 . . . . A 333 PRO HB2 . 36251 1 408 . 1 . 1 38 38 PRO HB3 H 1 2.066 0.020 . 2 . . . . A 333 PRO HB3 . 36251 1 409 . 1 . 1 38 38 PRO HG2 H 1 1.952 0.020 . 1 . . . . A 333 PRO HG2 . 36251 1 410 . 1 . 1 38 38 PRO HG3 H 1 1.952 0.020 . 1 . . . . A 333 PRO HG3 . 36251 1 411 . 1 . 1 38 38 PRO HD2 H 1 3.575 0.020 . 2 . . . . A 333 PRO HD2 . 36251 1 412 . 1 . 1 38 38 PRO HD3 H 1 3.498 0.020 . 2 . . . . A 333 PRO HD3 . 36251 1 413 . 1 . 1 38 38 PRO C C 13 176.154 0.400 . 1 . . . . A 333 PRO C . 36251 1 414 . 1 . 1 38 38 PRO CA C 13 61.725 0.400 . 1 . . . . A 333 PRO CA . 36251 1 415 . 1 . 1 38 38 PRO CB C 13 33.422 0.400 . 1 . . . . A 333 PRO CB . 36251 1 416 . 1 . 1 38 38 PRO CG C 13 25.218 0.400 . 1 . . . . A 333 PRO CG . 36251 1 417 . 1 . 1 38 38 PRO CD C 13 50.341 0.400 . 1 . . . . A 333 PRO CD . 36251 1 418 . 1 . 1 39 39 LYS H H 1 8.353 0.020 . 1 . . . . A 334 LYS H . 36251 1 419 . 1 . 1 39 39 LYS HA H 1 4.185 0.020 . 1 . . . . A 334 LYS HA . 36251 1 420 . 1 . 1 39 39 LYS HB2 H 1 1.932 0.020 . 2 . . . . A 334 LYS HB2 . 36251 1 421 . 1 . 1 39 39 LYS HB3 H 1 1.329 0.020 . 2 . . . . A 334 LYS HB3 . 36251 1 422 . 1 . 1 39 39 LYS HG2 H 1 1.405 0.020 . 2 . . . . A 334 LYS HG2 . 36251 1 423 . 1 . 1 39 39 LYS HG3 H 1 1.228 0.020 . 2 . . . . A 334 LYS HG3 . 36251 1 424 . 1 . 1 39 39 LYS HD2 H 1 1.348 0.020 . 2 . . . . A 334 LYS HD2 . 36251 1 425 . 1 . 1 39 39 LYS HD3 H 1 1.166 0.020 . 2 . . . . A 334 LYS HD3 . 36251 1 426 . 1 . 1 39 39 LYS HE2 H 1 2.769 0.020 . 2 . . . . A 334 LYS HE2 . 36251 1 427 . 1 . 1 39 39 LYS HE3 H 1 2.575 0.020 . 2 . . . . A 334 LYS HE3 . 36251 1 428 . 1 . 1 39 39 LYS C C 13 177.375 0.400 . 1 . . . . A 334 LYS C . 36251 1 429 . 1 . 1 39 39 LYS CA C 13 57.397 0.400 . 1 . . . . A 334 LYS CA . 36251 1 430 . 1 . 1 39 39 LYS CB C 13 33.831 0.400 . 1 . . . . A 334 LYS CB . 36251 1 431 . 1 . 1 39 39 LYS CG C 13 25.466 0.400 . 1 . . . . A 334 LYS CG . 36251 1 432 . 1 . 1 39 39 LYS CD C 13 29.756 0.400 . 1 . . . . A 334 LYS CD . 36251 1 433 . 1 . 1 39 39 LYS CE C 13 42.983 0.400 . 1 . . . . A 334 LYS CE . 36251 1 434 . 1 . 1 39 39 LYS N N 15 123.699 0.400 . 1 . . . . A 334 LYS N . 36251 1 435 . 1 . 1 40 40 LYS H H 1 8.707 0.020 . 1 . . . . A 335 LYS H . 36251 1 436 . 1 . 1 40 40 LYS HA H 1 4.693 0.020 . 1 . . . . A 335 LYS HA . 36251 1 437 . 1 . 1 40 40 LYS HB2 H 1 1.472 0.020 . 2 . . . . A 335 LYS HB2 . 36251 1 438 . 1 . 1 40 40 LYS HB3 H 1 1.209 0.020 . 2 . . . . A 335 LYS HB3 . 36251 1 439 . 1 . 1 40 40 LYS HG2 H 1 1.403 0.020 . 2 . . . . A 335 LYS HG2 . 36251 1 440 . 1 . 1 40 40 LYS HG3 H 1 1.134 0.020 . 2 . . . . A 335 LYS HG3 . 36251 1 441 . 1 . 1 40 40 LYS HD2 H 1 1.578 0.020 . 2 . . . . A 335 LYS HD2 . 36251 1 442 . 1 . 1 40 40 LYS HD3 H 1 1.494 0.020 . 2 . . . . A 335 LYS HD3 . 36251 1 443 . 1 . 1 40 40 LYS HE2 H 1 2.922 0.020 . 2 . . . . A 335 LYS HE2 . 36251 1 444 . 1 . 1 40 40 LYS HE3 H 1 2.863 0.020 . 2 . . . . A 335 LYS HE3 . 36251 1 445 . 1 . 1 40 40 LYS C C 13 174.927 0.400 . 1 . . . . A 335 LYS C . 36251 1 446 . 1 . 1 40 40 LYS CA C 13 53.794 0.400 . 1 . . . . A 335 LYS CA . 36251 1 447 . 1 . 1 40 40 LYS CB C 13 36.117 0.400 . 1 . . . . A 335 LYS CB . 36251 1 448 . 1 . 1 40 40 LYS CG C 13 24.494 0.400 . 1 . . . . A 335 LYS CG . 36251 1 449 . 1 . 1 40 40 LYS CD C 13 28.811 0.400 . 1 . . . . A 335 LYS CD . 36251 1 450 . 1 . 1 40 40 LYS CE C 13 42.317 0.400 . 1 . . . . A 335 LYS CE . 36251 1 451 . 1 . 1 40 40 LYS N N 15 124.005 0.400 . 1 . . . . A 335 LYS N . 36251 1 452 . 1 . 1 41 41 CYS H H 1 8.602 0.020 . 1 . . . . A 336 CYS H . 36251 1 453 . 1 . 1 41 41 CYS HA H 1 4.342 0.020 . 1 . . . . A 336 CYS HA . 36251 1 454 . 1 . 1 41 41 CYS HB2 H 1 3.374 0.020 . 2 . . . . A 336 CYS HB2 . 36251 1 455 . 1 . 1 41 41 CYS HB3 H 1 2.921 0.020 . 2 . . . . A 336 CYS HB3 . 36251 1 456 . 1 . 1 41 41 CYS C C 13 176.451 0.400 . 1 . . . . A 336 CYS C . 36251 1 457 . 1 . 1 41 41 CYS CA C 13 57.416 0.400 . 1 . . . . A 336 CYS CA . 36251 1 458 . 1 . 1 41 41 CYS CB C 13 31.859 0.400 . 1 . . . . A 336 CYS CB . 36251 1 459 . 1 . 1 41 41 CYS N N 15 124.766 0.400 . 1 . . . . A 336 CYS N . 36251 1 460 . 1 . 1 42 42 PRO HA H 1 4.421 0.020 . 1 . . . . A 337 PRO HA . 36251 1 461 . 1 . 1 42 42 PRO HB2 H 1 2.499 0.020 . 2 . . . . A 337 PRO HB2 . 36251 1 462 . 1 . 1 42 42 PRO HB3 H 1 1.875 0.020 . 2 . . . . A 337 PRO HB3 . 36251 1 463 . 1 . 1 42 42 PRO HG2 H 1 2.095 0.020 . 2 . . . . A 337 PRO HG2 . 36251 1 464 . 1 . 1 42 42 PRO HG3 H 1 2.040 0.020 . 2 . . . . A 337 PRO HG3 . 36251 1 465 . 1 . 1 42 42 PRO HD2 H 1 4.399 0.020 . 2 . . . . A 337 PRO HD2 . 36251 1 466 . 1 . 1 42 42 PRO HD3 H 1 4.226 0.020 . 2 . . . . A 337 PRO HD3 . 36251 1 467 . 1 . 1 42 42 PRO C C 13 176.972 0.400 . 1 . . . . A 337 PRO C . 36251 1 468 . 1 . 1 42 42 PRO CA C 13 64.778 0.400 . 1 . . . . A 337 PRO CA . 36251 1 469 . 1 . 1 42 42 PRO CB C 13 32.939 0.400 . 1 . . . . A 337 PRO CB . 36251 1 470 . 1 . 1 42 42 PRO CG C 13 27.356 0.400 . 1 . . . . A 337 PRO CG . 36251 1 471 . 1 . 1 42 42 PRO CD C 13 52.181 0.400 . 1 . . . . A 337 PRO CD . 36251 1 472 . 1 . 1 43 43 ILE H H 1 9.161 0.020 . 1 . . . . A 338 ILE H . 36251 1 473 . 1 . 1 43 43 ILE HA H 1 4.010 0.020 . 1 . . . . A 338 ILE HA . 36251 1 474 . 1 . 1 43 43 ILE HB H 1 1.514 0.020 . 1 . . . . A 338 ILE HB . 36251 1 475 . 1 . 1 43 43 ILE HG12 H 1 1.485 0.020 . 2 . . . . A 338 ILE HG12 . 36251 1 476 . 1 . 1 43 43 ILE HG13 H 1 1.218 0.020 . 2 . . . . A 338 ILE HG13 . 36251 1 477 . 1 . 1 43 43 ILE HG21 H 1 0.358 0.020 . 1 . . . . A 338 ILE HG21 . 36251 1 478 . 1 . 1 43 43 ILE HG22 H 1 0.358 0.020 . 1 . . . . A 338 ILE HG22 . 36251 1 479 . 1 . 1 43 43 ILE HG23 H 1 0.358 0.020 . 1 . . . . A 338 ILE HG23 . 36251 1 480 . 1 . 1 43 43 ILE HD11 H 1 0.647 0.020 . 1 . . . . A 338 ILE HD11 . 36251 1 481 . 1 . 1 43 43 ILE HD12 H 1 0.647 0.020 . 1 . . . . A 338 ILE HD12 . 36251 1 482 . 1 . 1 43 43 ILE HD13 H 1 0.647 0.020 . 1 . . . . A 338 ILE HD13 . 36251 1 483 . 1 . 1 43 43 ILE C C 13 177.287 0.400 . 1 . . . . A 338 ILE C . 36251 1 484 . 1 . 1 43 43 ILE CA C 13 62.009 0.400 . 1 . . . . A 338 ILE CA . 36251 1 485 . 1 . 1 43 43 ILE CB C 13 37.028 0.400 . 1 . . . . A 338 ILE CB . 36251 1 486 . 1 . 1 43 43 ILE CG1 C 13 26.956 0.400 . 1 . . . . A 338 ILE CG1 . 36251 1 487 . 1 . 1 43 43 ILE CG2 C 13 15.906 0.400 . 1 . . . . A 338 ILE CG2 . 36251 1 488 . 1 . 1 43 43 ILE CD1 C 13 10.528 0.400 . 1 . . . . A 338 ILE CD1 . 36251 1 489 . 1 . 1 43 43 ILE N N 15 118.953 0.400 . 1 . . . . A 338 ILE N . 36251 1 490 . 1 . 1 44 44 CYS H H 1 8.114 0.020 . 1 . . . . A 339 CYS H . 36251 1 491 . 1 . 1 44 44 CYS HA H 1 4.995 0.020 . 1 . . . . A 339 CYS HA . 36251 1 492 . 1 . 1 44 44 CYS HB2 H 1 3.477 0.020 . 2 . . . . A 339 CYS HB2 . 36251 1 493 . 1 . 1 44 44 CYS HB3 H 1 2.796 0.020 . 2 . . . . A 339 CYS HB3 . 36251 1 494 . 1 . 1 44 44 CYS C C 13 176.048 0.400 . 1 . . . . A 339 CYS C . 36251 1 495 . 1 . 1 44 44 CYS CA C 13 58.359 0.400 . 1 . . . . A 339 CYS CA . 36251 1 496 . 1 . 1 44 44 CYS CB C 13 33.082 0.400 . 1 . . . . A 339 CYS CB . 36251 1 497 . 1 . 1 44 44 CYS N N 15 117.617 0.400 . 1 . . . . A 339 CYS N . 36251 1 498 . 1 . 1 45 45 ARG H H 1 8.485 0.020 . 1 . . . . A 340 ARG H . 36251 1 499 . 1 . 1 45 45 ARG HA H 1 4.026 0.020 . 1 . . . . A 340 ARG HA . 36251 1 500 . 1 . 1 45 45 ARG HB2 H 1 2.175 0.020 . 2 . . . . A 340 ARG HB2 . 36251 1 501 . 1 . 1 45 45 ARG HB3 H 1 2.066 0.020 . 2 . . . . A 340 ARG HB3 . 36251 1 502 . 1 . 1 45 45 ARG HG2 H 1 1.537 0.020 . 1 . . . . A 340 ARG HG2 . 36251 1 503 . 1 . 1 45 45 ARG HG3 H 1 1.537 0.020 . 1 . . . . A 340 ARG HG3 . 36251 1 504 . 1 . 1 45 45 ARG HD2 H 1 3.193 0.020 . 2 . . . . A 340 ARG HD2 . 36251 1 505 . 1 . 1 45 45 ARG HD3 H 1 3.109 0.020 . 2 . . . . A 340 ARG HD3 . 36251 1 506 . 1 . 1 45 45 ARG C C 13 174.440 0.400 . 1 . . . . A 340 ARG C . 36251 1 507 . 1 . 1 45 45 ARG CA C 13 57.923 0.400 . 1 . . . . A 340 ARG CA . 36251 1 508 . 1 . 1 45 45 ARG CB C 13 26.585 0.400 . 1 . . . . A 340 ARG CB . 36251 1 509 . 1 . 1 45 45 ARG CG C 13 27.350 0.400 . 1 . . . . A 340 ARG CG . 36251 1 510 . 1 . 1 45 45 ARG CD C 13 42.805 0.400 . 1 . . . . A 340 ARG CD . 36251 1 511 . 1 . 1 45 45 ARG N N 15 118.167 0.400 . 1 . . . . A 340 ARG N . 36251 1 512 . 1 . 1 46 46 GLN H H 1 8.207 0.020 . 1 . . . . A 341 GLN H . 36251 1 513 . 1 . 1 46 46 GLN HA H 1 4.374 0.020 . 1 . . . . A 341 GLN HA . 36251 1 514 . 1 . 1 46 46 GLN HB2 H 1 2.246 0.020 . 2 . . . . A 341 GLN HB2 . 36251 1 515 . 1 . 1 46 46 GLN HB3 H 1 2.170 0.020 . 2 . . . . A 341 GLN HB3 . 36251 1 516 . 1 . 1 46 46 GLN HG2 H 1 2.584 0.020 . 1 . . . . A 341 GLN HG2 . 36251 1 517 . 1 . 1 46 46 GLN HG3 H 1 2.584 0.020 . 1 . . . . A 341 GLN HG3 . 36251 1 518 . 1 . 1 46 46 GLN HE21 H 1 7.705 0.020 . 2 . . . . A 341 GLN HE21 . 36251 1 519 . 1 . 1 46 46 GLN HE22 H 1 7.008 0.020 . 2 . . . . A 341 GLN HE22 . 36251 1 520 . 1 . 1 46 46 GLN C C 13 175.904 0.400 . 1 . . . . A 341 GLN C . 36251 1 521 . 1 . 1 46 46 GLN CA C 13 55.989 0.400 . 1 . . . . A 341 GLN CA . 36251 1 522 . 1 . 1 46 46 GLN CB C 13 30.398 0.400 . 1 . . . . A 341 GLN CB . 36251 1 523 . 1 . 1 46 46 GLN CG C 13 35.347 0.400 . 1 . . . . A 341 GLN CG . 36251 1 524 . 1 . 1 46 46 GLN N N 15 119.339 0.400 . 1 . . . . A 341 GLN N . 36251 1 525 . 1 . 1 46 46 GLN NE2 N 15 113.036 0.400 . 1 . . . . A 341 GLN NE2 . 36251 1 526 . 1 . 1 47 47 ALA H H 1 8.613 0.020 . 1 . . . . A 342 ALA H . 36251 1 527 . 1 . 1 47 47 ALA HA H 1 4.304 0.020 . 1 . . . . A 342 ALA HA . 36251 1 528 . 1 . 1 47 47 ALA HB1 H 1 1.335 0.020 . 1 . . . . A 342 ALA HB1 . 36251 1 529 . 1 . 1 47 47 ALA HB2 H 1 1.335 0.020 . 1 . . . . A 342 ALA HB2 . 36251 1 530 . 1 . 1 47 47 ALA HB3 H 1 1.335 0.020 . 1 . . . . A 342 ALA HB3 . 36251 1 531 . 1 . 1 47 47 ALA C C 13 178.092 0.400 . 1 . . . . A 342 ALA C . 36251 1 532 . 1 . 1 47 47 ALA CA C 13 53.044 0.400 . 1 . . . . A 342 ALA CA . 36251 1 533 . 1 . 1 47 47 ALA CB C 13 18.612 0.400 . 1 . . . . A 342 ALA CB . 36251 1 534 . 1 . 1 47 47 ALA N N 15 123.938 0.400 . 1 . . . . A 342 ALA N . 36251 1 535 . 1 . 1 48 48 ILE H H 1 7.999 0.020 . 1 . . . . A 343 ILE H . 36251 1 536 . 1 . 1 48 48 ILE HA H 1 4.373 0.020 . 1 . . . . A 343 ILE HA . 36251 1 537 . 1 . 1 48 48 ILE HB H 1 1.383 0.020 . 1 . . . . A 343 ILE HB . 36251 1 538 . 1 . 1 48 48 ILE HG12 H 1 1.402 0.020 . 2 . . . . A 343 ILE HG12 . 36251 1 539 . 1 . 1 48 48 ILE HG13 H 1 0.260 0.020 . 2 . . . . A 343 ILE HG13 . 36251 1 540 . 1 . 1 48 48 ILE HG21 H 1 0.645 0.020 . 1 . . . . A 343 ILE HG21 . 36251 1 541 . 1 . 1 48 48 ILE HG22 H 1 0.645 0.020 . 1 . . . . A 343 ILE HG22 . 36251 1 542 . 1 . 1 48 48 ILE HG23 H 1 0.645 0.020 . 1 . . . . A 343 ILE HG23 . 36251 1 543 . 1 . 1 48 48 ILE HD11 H 1 -0.244 0.020 . 1 . . . . A 343 ILE HD11 . 36251 1 544 . 1 . 1 48 48 ILE HD12 H 1 -0.244 0.020 . 1 . . . . A 343 ILE HD12 . 36251 1 545 . 1 . 1 48 48 ILE HD13 H 1 -0.244 0.020 . 1 . . . . A 343 ILE HD13 . 36251 1 546 . 1 . 1 48 48 ILE C C 13 177.060 0.400 . 1 . . . . A 343 ILE C . 36251 1 547 . 1 . 1 48 48 ILE CA C 13 60.728 0.400 . 1 . . . . A 343 ILE CA . 36251 1 548 . 1 . 1 48 48 ILE CB C 13 39.224 0.400 . 1 . . . . A 343 ILE CB . 36251 1 549 . 1 . 1 48 48 ILE CG1 C 13 27.179 0.400 . 1 . . . . A 343 ILE CG1 . 36251 1 550 . 1 . 1 48 48 ILE CG2 C 13 18.104 0.400 . 1 . . . . A 343 ILE CG2 . 36251 1 551 . 1 . 1 48 48 ILE CD1 C 13 13.978 0.400 . 1 . . . . A 343 ILE CD1 . 36251 1 552 . 1 . 1 48 48 ILE N N 15 124.887 0.400 . 1 . . . . A 343 ILE N . 36251 1 553 . 1 . 1 49 49 THR H H 1 9.405 0.020 . 1 . . . . A 344 THR H . 36251 1 554 . 1 . 1 49 49 THR HA H 1 4.362 0.020 . 1 . . . . A 344 THR HA . 36251 1 555 . 1 . 1 49 49 THR HB H 1 4.217 0.020 . 1 . . . . A 344 THR HB . 36251 1 556 . 1 . 1 49 49 THR HG21 H 1 1.213 0.020 . 1 . . . . A 344 THR HG21 . 36251 1 557 . 1 . 1 49 49 THR HG22 H 1 1.213 0.020 . 1 . . . . A 344 THR HG22 . 36251 1 558 . 1 . 1 49 49 THR HG23 H 1 1.213 0.020 . 1 . . . . A 344 THR HG23 . 36251 1 559 . 1 . 1 49 49 THR C C 13 174.949 0.400 . 1 . . . . A 344 THR C . 36251 1 560 . 1 . 1 49 49 THR CA C 13 62.881 0.400 . 1 . . . . A 344 THR CA . 36251 1 561 . 1 . 1 49 49 THR CB C 13 69.108 0.400 . 1 . . . . A 344 THR CB . 36251 1 562 . 1 . 1 49 49 THR CG2 C 13 22.604 0.400 . 1 . . . . A 344 THR CG2 . 36251 1 563 . 1 . 1 49 49 THR N N 15 122.460 0.400 . 1 . . . . A 344 THR N . 36251 1 564 . 1 . 1 50 50 ARG H H 1 7.693 0.020 . 1 . . . . A 345 ARG H . 36251 1 565 . 1 . 1 50 50 ARG HA H 1 4.510 0.020 . 1 . . . . A 345 ARG HA . 36251 1 566 . 1 . 1 50 50 ARG HB2 H 1 1.925 0.020 . 2 . . . . A 345 ARG HB2 . 36251 1 567 . 1 . 1 50 50 ARG HB3 H 1 1.705 0.020 . 2 . . . . A 345 ARG HB3 . 36251 1 568 . 1 . 1 50 50 ARG HG2 H 1 1.637 0.020 . 2 . . . . A 345 ARG HG2 . 36251 1 569 . 1 . 1 50 50 ARG HG3 H 1 1.437 0.020 . 2 . . . . A 345 ARG HG3 . 36251 1 570 . 1 . 1 50 50 ARG HD2 H 1 3.176 0.020 . 2 . . . . A 345 ARG HD2 . 36251 1 571 . 1 . 1 50 50 ARG HD3 H 1 3.021 0.020 . 2 . . . . A 345 ARG HD3 . 36251 1 572 . 1 . 1 50 50 ARG C C 13 172.306 0.400 . 1 . . . . A 345 ARG C . 36251 1 573 . 1 . 1 50 50 ARG CA C 13 56.045 0.400 . 1 . . . . A 345 ARG CA . 36251 1 574 . 1 . 1 50 50 ARG CB C 13 33.404 0.400 . 1 . . . . A 345 ARG CB . 36251 1 575 . 1 . 1 50 50 ARG CG C 13 27.232 0.400 . 1 . . . . A 345 ARG CG . 36251 1 576 . 1 . 1 50 50 ARG CD C 13 44.006 0.400 . 1 . . . . A 345 ARG CD . 36251 1 577 . 1 . 1 50 50 ARG N N 15 120.582 0.400 . 1 . . . . A 345 ARG N . 36251 1 578 . 1 . 1 51 51 VAL H H 1 8.342 0.020 . 1 . . . . A 346 VAL H . 36251 1 579 . 1 . 1 51 51 VAL HA H 1 5.104 0.020 . 1 . . . . A 346 VAL HA . 36251 1 580 . 1 . 1 51 51 VAL HB H 1 1.578 0.020 . 1 . . . . A 346 VAL HB . 36251 1 581 . 1 . 1 51 51 VAL HG11 H 1 0.510 0.020 . 2 . . . . A 346 VAL HG11 . 36251 1 582 . 1 . 1 51 51 VAL HG12 H 1 0.510 0.020 . 2 . . . . A 346 VAL HG12 . 36251 1 583 . 1 . 1 51 51 VAL HG13 H 1 0.510 0.020 . 2 . . . . A 346 VAL HG13 . 36251 1 584 . 1 . 1 51 51 VAL HG21 H 1 0.396 0.020 . 2 . . . . A 346 VAL HG21 . 36251 1 585 . 1 . 1 51 51 VAL HG22 H 1 0.396 0.020 . 2 . . . . A 346 VAL HG22 . 36251 1 586 . 1 . 1 51 51 VAL HG23 H 1 0.396 0.020 . 2 . . . . A 346 VAL HG23 . 36251 1 587 . 1 . 1 51 51 VAL C C 13 175.080 0.400 . 1 . . . . A 346 VAL C . 36251 1 588 . 1 . 1 51 51 VAL CA C 13 59.891 0.400 . 1 . . . . A 346 VAL CA . 36251 1 589 . 1 . 1 51 51 VAL CB C 13 34.643 0.400 . 1 . . . . A 346 VAL CB . 36251 1 590 . 1 . 1 51 51 VAL CG1 C 13 20.897 0.400 . 1 . . . . A 346 VAL CG1 . 36251 1 591 . 1 . 1 51 51 VAL CG2 C 13 20.856 0.400 . 1 . . . . A 346 VAL CG2 . 36251 1 592 . 1 . 1 51 51 VAL N N 15 120.128 0.400 . 1 . . . . A 346 VAL N . 36251 1 593 . 1 . 1 52 52 ILE H H 1 8.548 0.020 . 1 . . . . A 347 ILE H . 36251 1 594 . 1 . 1 52 52 ILE HA H 1 4.780 0.020 . 1 . . . . A 347 ILE HA . 36251 1 595 . 1 . 1 52 52 ILE HB H 1 1.727 0.020 . 1 . . . . A 347 ILE HB . 36251 1 596 . 1 . 1 52 52 ILE HG12 H 1 1.269 0.020 . 2 . . . . A 347 ILE HG12 . 36251 1 597 . 1 . 1 52 52 ILE HG13 H 1 1.113 0.020 . 2 . . . . A 347 ILE HG13 . 36251 1 598 . 1 . 1 52 52 ILE HG21 H 1 0.879 0.020 . 1 . . . . A 347 ILE HG21 . 36251 1 599 . 1 . 1 52 52 ILE HG22 H 1 0.879 0.020 . 1 . . . . A 347 ILE HG22 . 36251 1 600 . 1 . 1 52 52 ILE HG23 H 1 0.879 0.020 . 1 . . . . A 347 ILE HG23 . 36251 1 601 . 1 . 1 52 52 ILE HD11 H 1 0.734 0.020 . 1 . . . . A 347 ILE HD11 . 36251 1 602 . 1 . 1 52 52 ILE HD12 H 1 0.734 0.020 . 1 . . . . A 347 ILE HD12 . 36251 1 603 . 1 . 1 52 52 ILE HD13 H 1 0.734 0.020 . 1 . . . . A 347 ILE HD13 . 36251 1 604 . 1 . 1 52 52 ILE C C 13 173.761 0.400 . 1 . . . . A 347 ILE C . 36251 1 605 . 1 . 1 52 52 ILE CA C 13 56.810 0.400 . 1 . . . . A 347 ILE CA . 36251 1 606 . 1 . 1 52 52 ILE CB C 13 40.394 0.400 . 1 . . . . A 347 ILE CB . 36251 1 607 . 1 . 1 52 52 ILE CG1 C 13 26.971 0.400 . 1 . . . . A 347 ILE CG1 . 36251 1 608 . 1 . 1 52 52 ILE CG2 C 13 16.573 0.400 . 1 . . . . A 347 ILE CG2 . 36251 1 609 . 1 . 1 52 52 ILE CD1 C 13 12.823 0.400 . 1 . . . . A 347 ILE CD1 . 36251 1 610 . 1 . 1 52 52 ILE N N 15 125.657 0.400 . 1 . . . . A 347 ILE N . 36251 1 611 . 1 . 1 53 53 PRO HA H 1 4.458 0.020 . 1 . . . . A 348 PRO HA . 36251 1 612 . 1 . 1 53 53 PRO HB2 H 1 2.263 0.020 . 2 . . . . A 348 PRO HB2 . 36251 1 613 . 1 . 1 53 53 PRO HB3 H 1 1.722 0.020 . 2 . . . . A 348 PRO HB3 . 36251 1 614 . 1 . 1 53 53 PRO HG2 H 1 2.152 0.020 . 2 . . . . A 348 PRO HG2 . 36251 1 615 . 1 . 1 53 53 PRO HG3 H 1 1.958 0.020 . 2 . . . . A 348 PRO HG3 . 36251 1 616 . 1 . 1 53 53 PRO HD2 H 1 3.816 0.020 . 1 . . . . A 348 PRO HD2 . 36251 1 617 . 1 . 1 53 53 PRO HD3 H 1 3.816 0.020 . 1 . . . . A 348 PRO HD3 . 36251 1 618 . 1 . 1 53 53 PRO C C 13 175.555 0.400 . 1 . . . . A 348 PRO C . 36251 1 619 . 1 . 1 53 53 PRO CA C 13 62.625 0.400 . 1 . . . . A 348 PRO CA . 36251 1 620 . 1 . 1 53 53 PRO CB C 13 32.259 0.400 . 1 . . . . A 348 PRO CB . 36251 1 621 . 1 . 1 53 53 PRO CG C 13 27.381 0.400 . 1 . . . . A 348 PRO CG . 36251 1 622 . 1 . 1 53 53 PRO CD C 13 51.429 0.400 . 1 . . . . A 348 PRO CD . 36251 1 623 . 1 . 1 54 54 LEU H H 1 7.739 0.020 . 1 . . . . A 349 LEU H . 36251 1 624 . 1 . 1 54 54 LEU HA H 1 4.250 0.020 . 1 . . . . A 349 LEU HA . 36251 1 625 . 1 . 1 54 54 LEU HB2 H 1 1.095 0.020 . 1 . . . . A 349 LEU HB2 . 36251 1 626 . 1 . 1 54 54 LEU HB3 H 1 1.095 0.020 . 1 . . . . A 349 LEU HB3 . 36251 1 627 . 1 . 1 54 54 LEU HG H 1 1.133 0.020 . 1 . . . . A 349 LEU HG . 36251 1 628 . 1 . 1 54 54 LEU HD11 H 1 0.571 0.020 . 2 . . . . A 349 LEU HD11 . 36251 1 629 . 1 . 1 54 54 LEU HD12 H 1 0.571 0.020 . 2 . . . . A 349 LEU HD12 . 36251 1 630 . 1 . 1 54 54 LEU HD13 H 1 0.571 0.020 . 2 . . . . A 349 LEU HD13 . 36251 1 631 . 1 . 1 54 54 LEU HD21 H 1 0.585 0.020 . 2 . . . . A 349 LEU HD21 . 36251 1 632 . 1 . 1 54 54 LEU HD22 H 1 0.585 0.020 . 2 . . . . A 349 LEU HD22 . 36251 1 633 . 1 . 1 54 54 LEU HD23 H 1 0.585 0.020 . 2 . . . . A 349 LEU HD23 . 36251 1 634 . 1 . 1 54 54 LEU C C 13 176.527 0.400 . 1 . . . . A 349 LEU C . 36251 1 635 . 1 . 1 54 54 LEU CA C 13 54.453 0.400 . 1 . . . . A 349 LEU CA . 36251 1 636 . 1 . 1 54 54 LEU CB C 13 43.016 0.400 . 1 . . . . A 349 LEU CB . 36251 1 637 . 1 . 1 54 54 LEU CG C 13 26.884 0.400 . 1 . . . . A 349 LEU CG . 36251 1 638 . 1 . 1 54 54 LEU CD1 C 13 25.064 0.400 . 1 . . . . A 349 LEU CD1 . 36251 1 639 . 1 . 1 54 54 LEU CD2 C 13 24.097 0.400 . 1 . . . . A 349 LEU CD2 . 36251 1 640 . 1 . 1 54 54 LEU N N 15 120.261 0.400 . 1 . . . . A 349 LEU N . 36251 1 641 . 1 . 1 55 55 TYR H H 1 8.165 0.020 . 1 . . . . A 350 TYR H . 36251 1 642 . 1 . 1 55 55 TYR HA H 1 4.714 0.020 . 1 . . . . A 350 TYR HA . 36251 1 643 . 1 . 1 55 55 TYR HB2 H 1 3.161 0.020 . 2 . . . . A 350 TYR HB2 . 36251 1 644 . 1 . 1 55 55 TYR HB3 H 1 2.836 0.020 . 2 . . . . A 350 TYR HB3 . 36251 1 645 . 1 . 1 55 55 TYR HD1 H 1 7.095 0.020 . 1 . . . . A 350 TYR HD1 . 36251 1 646 . 1 . 1 55 55 TYR HD2 H 1 7.095 0.020 . 1 . . . . A 350 TYR HD2 . 36251 1 647 . 1 . 1 55 55 TYR HE1 H 1 6.794 0.020 . 1 . . . . A 350 TYR HE1 . 36251 1 648 . 1 . 1 55 55 TYR HE2 H 1 6.794 0.020 . 1 . . . . A 350 TYR HE2 . 36251 1 649 . 1 . 1 55 55 TYR C C 13 175.309 0.400 . 1 . . . . A 350 TYR C . 36251 1 650 . 1 . 1 55 55 TYR CA C 13 56.856 0.400 . 1 . . . . A 350 TYR CA . 36251 1 651 . 1 . 1 55 55 TYR CB C 13 38.952 0.400 . 1 . . . . A 350 TYR CB . 36251 1 652 . 1 . 1 55 55 TYR N N 15 118.826 0.400 . 1 . . . . A 350 TYR N . 36251 1 653 . 1 . 1 56 56 ASN H H 1 8.528 0.020 . 1 . . . . A 351 ASN H . 36251 1 654 . 1 . 1 56 56 ASN HA H 1 4.818 0.020 . 1 . . . . A 351 ASN HA . 36251 1 655 . 1 . 1 56 56 ASN HB2 H 1 2.755 0.020 . 1 . . . . A 351 ASN HB2 . 36251 1 656 . 1 . 1 56 56 ASN HB3 H 1 2.755 0.020 . 1 . . . . A 351 ASN HB3 . 36251 1 657 . 1 . 1 56 56 ASN HD21 H 1 7.547 0.020 . 2 . . . . A 351 ASN HD21 . 36251 1 658 . 1 . 1 56 56 ASN HD22 H 1 6.812 0.020 . 2 . . . . A 351 ASN HD22 . 36251 1 659 . 1 . 1 56 56 ASN C C 13 174.163 0.400 . 1 . . . . A 351 ASN C . 36251 1 660 . 1 . 1 56 56 ASN CA C 13 53.302 0.400 . 1 . . . . A 351 ASN CA . 36251 1 661 . 1 . 1 56 56 ASN CB C 13 39.369 0.400 . 1 . . . . A 351 ASN CB . 36251 1 662 . 1 . 1 56 56 ASN N N 15 120.620 0.400 . 1 . . . . A 351 ASN N . 36251 1 663 . 1 . 1 56 56 ASN ND2 N 15 112.269 0.400 . 1 . . . . A 351 ASN ND2 . 36251 1 664 . 1 . 1 57 57 SER H H 1 7.905 0.020 . 1 . . . . A 352 SER H . 36251 1 665 . 1 . 1 57 57 SER HA H 1 4.256 0.020 . 1 . . . . A 352 SER HA . 36251 1 666 . 1 . 1 57 57 SER HB2 H 1 3.849 0.020 . 1 . . . . A 352 SER HB2 . 36251 1 667 . 1 . 1 57 57 SER HB3 H 1 3.849 0.020 . 1 . . . . A 352 SER HB3 . 36251 1 668 . 1 . 1 57 57 SER C C 13 178.372 0.400 . 1 . . . . A 352 SER C . 36251 1 669 . 1 . 1 57 57 SER CA C 13 60.121 0.400 . 1 . . . . A 352 SER CA . 36251 1 670 . 1 . 1 57 57 SER CB C 13 65.073 0.400 . 1 . . . . A 352 SER CB . 36251 1 671 . 1 . 1 57 57 SER N N 15 121.317 0.400 . 1 . . . . A 352 SER N . 36251 1 stop_ save_