################################### # 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 36345 _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 36345 1 2 '2D 1H-13C HSQC aliphatic' 1 $sample_1 isotropic 36345 1 3 '2D 1H-13C HSQC aromatic' 1 $sample_1 isotropic 36345 1 4 '3D HNCACB' 1 $sample_1 isotropic 36345 1 5 '3D CBCA(CO)NH' 1 $sample_1 isotropic 36345 1 6 '3D HNCO' 1 $sample_1 isotropic 36345 1 7 '3D HCCH-COSY' 1 $sample_1 isotropic 36345 1 8 '3D HCCH-TOCSY' 1 $sample_1 isotropic 36345 1 9 '3D 1H-15N NOESY' 1 $sample_1 isotropic 36345 1 10 '3D 1H-13C NOESY aliphatic' 1 $sample_1 isotropic 36345 1 11 '3D 1H-13C NOESY aromatic' 1 $sample_1 isotropic 36345 1 12 '3D 1H-15N TOCSY' 1 $sample_1 isotropic 36345 1 13 '3D 1H-13C NOESY aromatic' 1 $sample_1 isotropic 36345 1 14 '3D 1H-13C NOESY aliphatic' 1 $sample_1 isotropic 36345 1 15 '3D 1H-15N NOESY' 1 $sample_1 isotropic 36345 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 1 1 GLY HA2 H 1 3.873 0.030 . 2 . . . . A 1 GLY HA2 . 36345 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.734 0.030 . 2 . . . . A 1 GLY HA3 . 36345 1 3 . 1 . 1 1 1 GLY CA C 13 43.422 0.300 . 1 . . . . A 1 GLY CA . 36345 1 4 . 1 . 1 2 2 THR HA H 1 4.497 0.030 . 1 . . . . A 2 THR HA . 36345 1 5 . 1 . 1 2 2 THR HB H 1 4.463 0.030 . 1 . . . . A 2 THR HB . 36345 1 6 . 1 . 1 2 2 THR HG21 H 1 1.232 0.030 . 1 . . . . A 2 THR HG21 . 36345 1 7 . 1 . 1 2 2 THR HG22 H 1 1.232 0.030 . 1 . . . . A 2 THR HG22 . 36345 1 8 . 1 . 1 2 2 THR HG23 H 1 1.232 0.030 . 1 . . . . A 2 THR HG23 . 36345 1 9 . 1 . 1 2 2 THR C C 13 179.631 0.300 . 1 . . . . A 2 THR C . 36345 1 10 . 1 . 1 2 2 THR CA C 13 62.054 0.300 . 1 . . . . A 2 THR CA . 36345 1 11 . 1 . 1 2 2 THR CB C 13 70.164 0.300 . 1 . . . . A 2 THR CB . 36345 1 12 . 1 . 1 2 2 THR CG2 C 13 21.294 0.300 . 1 . . . . A 2 THR CG2 . 36345 1 13 . 1 . 1 3 3 THR H H 1 8.298 0.030 . 1 . . . . A 3 THR H . 36345 1 14 . 1 . 1 3 3 THR HA H 1 4.608 0.030 . 1 . . . . A 3 THR HA . 36345 1 15 . 1 . 1 3 3 THR HB H 1 4.061 0.030 . 1 . . . . A 3 THR HB . 36345 1 16 . 1 . 1 3 3 THR HG21 H 1 1.142 0.030 . 1 . . . . A 3 THR HG21 . 36345 1 17 . 1 . 1 3 3 THR HG22 H 1 1.142 0.030 . 1 . . . . A 3 THR HG22 . 36345 1 18 . 1 . 1 3 3 THR HG23 H 1 1.142 0.030 . 1 . . . . A 3 THR HG23 . 36345 1 19 . 1 . 1 3 3 THR C C 13 178.849 0.300 . 1 . . . . A 3 THR C . 36345 1 20 . 1 . 1 3 3 THR CA C 13 62.830 0.300 . 1 . . . . A 3 THR CA . 36345 1 21 . 1 . 1 3 3 THR CB C 13 70.334 0.300 . 1 . . . . A 3 THR CB . 36345 1 22 . 1 . 1 3 3 THR CG2 C 13 22.235 0.300 . 1 . . . . A 3 THR CG2 . 36345 1 23 . 1 . 1 3 3 THR N N 15 119.179 0.300 . 1 . . . . A 3 THR N . 36345 1 24 . 1 . 1 4 4 CYS H H 1 7.907 0.030 . 1 . . . . A 4 CYS H . 36345 1 25 . 1 . 1 4 4 CYS HA H 1 4.409 0.030 . 1 . . . . A 4 CYS HA . 36345 1 26 . 1 . 1 4 4 CYS HB2 H 1 2.323 0.030 . 2 . . . . A 4 CYS HB2 . 36345 1 27 . 1 . 1 4 4 CYS HB3 H 1 1.532 0.030 . 2 . . . . A 4 CYS HB3 . 36345 1 28 . 1 . 1 4 4 CYS C C 13 175.600 0.300 . 1 . . . . A 4 CYS C . 36345 1 29 . 1 . 1 4 4 CYS CA C 13 53.712 0.300 . 1 . . . . A 4 CYS CA . 36345 1 30 . 1 . 1 4 4 CYS CB C 13 45.178 0.300 . 1 . . . . A 4 CYS CB . 36345 1 31 . 1 . 1 4 4 CYS N N 15 120.549 0.300 . 1 . . . . A 4 CYS N . 36345 1 32 . 1 . 1 5 5 TYR H H 1 6.918 0.030 . 1 . . . . A 5 TYR H . 36345 1 33 . 1 . 1 5 5 TYR HA H 1 5.066 0.030 . 1 . . . . A 5 TYR HA . 36345 1 34 . 1 . 1 5 5 TYR HB2 H 1 2.946 0.030 . 1 . . . . A 5 TYR HB2 . 36345 1 35 . 1 . 1 5 5 TYR HB3 H 1 2.619 0.030 . 1 . . . . A 5 TYR HB3 . 36345 1 36 . 1 . 1 5 5 TYR HD1 H 1 6.822 0.030 . 1 . . . . A 5 TYR HD1 . 36345 1 37 . 1 . 1 5 5 TYR HD2 H 1 6.822 0.030 . 1 . . . . A 5 TYR HD2 . 36345 1 38 . 1 . 1 5 5 TYR HE1 H 1 6.656 0.030 . 1 . . . . A 5 TYR HE1 . 36345 1 39 . 1 . 1 5 5 TYR HE2 H 1 6.656 0.030 . 1 . . . . A 5 TYR HE2 . 36345 1 40 . 1 . 1 5 5 TYR C C 13 181.668 0.300 . 1 . . . . A 5 TYR C . 36345 1 41 . 1 . 1 5 5 TYR CA C 13 57.096 0.300 . 1 . . . . A 5 TYR CA . 36345 1 42 . 1 . 1 5 5 TYR CB C 13 42.331 0.300 . 1 . . . . A 5 TYR CB . 36345 1 43 . 1 . 1 5 5 TYR CD1 C 13 132.876 0.300 . 1 . . . . A 5 TYR CD1 . 36345 1 44 . 1 . 1 5 5 TYR CD2 C 13 132.876 0.300 . 1 . . . . A 5 TYR CD2 . 36345 1 45 . 1 . 1 5 5 TYR CE1 C 13 117.774 0.300 . 1 . . . . A 5 TYR CE1 . 36345 1 46 . 1 . 1 5 5 TYR CE2 C 13 117.774 0.300 . 1 . . . . A 5 TYR CE2 . 36345 1 47 . 1 . 1 5 5 TYR N N 15 116.063 0.300 . 1 . . . . A 5 TYR N . 36345 1 48 . 1 . 1 6 6 CYS H H 1 8.690 0.030 . 1 . . . . A 6 CYS H . 36345 1 49 . 1 . 1 6 6 CYS HA H 1 4.996 0.030 . 1 . . . . A 6 CYS HA . 36345 1 50 . 1 . 1 6 6 CYS HB2 H 1 3.279 0.030 . 2 . . . . A 6 CYS HB2 . 36345 1 51 . 1 . 1 6 6 CYS HB3 H 1 2.235 0.030 . 2 . . . . A 6 CYS HB3 . 36345 1 52 . 1 . 1 6 6 CYS C C 13 181.789 0.300 . 1 . . . . A 6 CYS C . 36345 1 53 . 1 . 1 6 6 CYS CA C 13 52.141 0.300 . 1 . . . . A 6 CYS CA . 36345 1 54 . 1 . 1 6 6 CYS CB C 13 39.229 0.300 . 1 . . . . A 6 CYS CB . 36345 1 55 . 1 . 1 6 6 CYS N N 15 120.369 0.300 . 1 . . . . A 6 CYS N . 36345 1 56 . 1 . 1 7 7 GLY H H 1 8.931 0.030 . 1 . . . . A 7 GLY H . 36345 1 57 . 1 . 1 7 7 GLY HA2 H 1 4.042 0.030 . 2 . . . . A 7 GLY HA2 . 36345 1 58 . 1 . 1 7 7 GLY HA3 H 1 3.620 0.030 . 2 . . . . A 7 GLY HA3 . 36345 1 59 . 1 . 1 7 7 GLY C C 13 180.736 0.300 . 1 . . . . A 7 GLY C . 36345 1 60 . 1 . 1 7 7 GLY CA C 13 47.158 0.300 . 1 . . . . A 7 GLY CA . 36345 1 61 . 1 . 1 7 7 GLY N N 15 115.388 0.300 . 1 . . . . A 7 GLY N . 36345 1 62 . 1 . 1 8 8 LYS H H 1 8.800 0.030 . 1 . . . . A 8 LYS H . 36345 1 63 . 1 . 1 8 8 LYS HA H 1 4.335 0.030 . 1 . . . . A 8 LYS HA . 36345 1 64 . 1 . 1 8 8 LYS HB2 H 1 1.975 0.030 . 2 . . . . A 8 LYS HB2 . 36345 1 65 . 1 . 1 8 8 LYS HB3 H 1 1.712 0.030 . 2 . . . . A 8 LYS HB3 . 36345 1 66 . 1 . 1 8 8 LYS HG2 H 1 1.421 0.030 . 1 . . . . A 8 LYS HG2 . 36345 1 67 . 1 . 1 8 8 LYS HG3 H 1 1.421 0.030 . 1 . . . . A 8 LYS HG3 . 36345 1 68 . 1 . 1 8 8 LYS HD2 H 1 1.635 0.030 . 1 . . . . A 8 LYS HD2 . 36345 1 69 . 1 . 1 8 8 LYS HD3 H 1 1.635 0.030 . 1 . . . . A 8 LYS HD3 . 36345 1 70 . 1 . 1 8 8 LYS HE2 H 1 2.952 0.030 . 1 . . . . A 8 LYS HE2 . 36345 1 71 . 1 . 1 8 8 LYS HE3 H 1 2.952 0.030 . 1 . . . . A 8 LYS HE3 . 36345 1 72 . 1 . 1 8 8 LYS C C 13 172.931 0.300 . 1 . . . . A 8 LYS C . 36345 1 73 . 1 . 1 8 8 LYS CA C 13 56.277 0.300 . 1 . . . . A 8 LYS CA . 36345 1 74 . 1 . 1 8 8 LYS CB C 13 32.528 0.300 . 1 . . . . A 8 LYS CB . 36345 1 75 . 1 . 1 8 8 LYS CG C 13 24.783 0.300 . 1 . . . . A 8 LYS CG . 36345 1 76 . 1 . 1 8 8 LYS CD C 13 28.798 0.300 . 1 . . . . A 8 LYS CD . 36345 1 77 . 1 . 1 8 8 LYS CE C 13 42.116 0.300 . 1 . . . . A 8 LYS CE . 36345 1 78 . 1 . 1 8 8 LYS N N 15 126.770 0.300 . 1 . . . . A 8 LYS N . 36345 1 79 . 1 . 1 9 9 THR H H 1 8.009 0.030 . 1 . . . . A 9 THR H . 36345 1 80 . 1 . 1 9 9 THR HA H 1 4.032 0.030 . 1 . . . . A 9 THR HA . 36345 1 81 . 1 . 1 9 9 THR HB H 1 3.616 0.030 . 1 . . . . A 9 THR HB . 36345 1 82 . 1 . 1 9 9 THR HG21 H 1 0.499 0.030 . 1 . . . . A 9 THR HG21 . 36345 1 83 . 1 . 1 9 9 THR HG22 H 1 0.499 0.030 . 1 . . . . A 9 THR HG22 . 36345 1 84 . 1 . 1 9 9 THR HG23 H 1 0.499 0.030 . 1 . . . . A 9 THR HG23 . 36345 1 85 . 1 . 1 9 9 THR C C 13 178.361 0.300 . 1 . . . . A 9 THR C . 36345 1 86 . 1 . 1 9 9 THR CA C 13 63.242 0.300 . 1 . . . . A 9 THR CA . 36345 1 87 . 1 . 1 9 9 THR CB C 13 69.708 0.300 . 1 . . . . A 9 THR CB . 36345 1 88 . 1 . 1 9 9 THR CG2 C 13 21.281 0.300 . 1 . . . . A 9 THR CG2 . 36345 1 89 . 1 . 1 9 9 THR N N 15 119.896 0.300 . 1 . . . . A 9 THR N . 36345 1 90 . 1 . 1 10 10 ILE H H 1 8.224 0.030 . 1 . . . . A 10 ILE H . 36345 1 91 . 1 . 1 10 10 ILE HA H 1 3.824 0.030 . 1 . . . . A 10 ILE HA . 36345 1 92 . 1 . 1 10 10 ILE HB H 1 1.563 0.030 . 1 . . . . A 10 ILE HB . 36345 1 93 . 1 . 1 10 10 ILE HG12 H 1 1.237 0.030 . 2 . . . . A 10 ILE HG12 . 36345 1 94 . 1 . 1 10 10 ILE HG13 H 1 1.054 0.030 . 2 . . . . A 10 ILE HG13 . 36345 1 95 . 1 . 1 10 10 ILE HG21 H 1 0.899 0.030 . 1 . . . . A 10 ILE HG21 . 36345 1 96 . 1 . 1 10 10 ILE HG22 H 1 0.899 0.030 . 1 . . . . A 10 ILE HG22 . 36345 1 97 . 1 . 1 10 10 ILE HG23 H 1 0.899 0.030 . 1 . . . . A 10 ILE HG23 . 36345 1 98 . 1 . 1 10 10 ILE HD11 H 1 0.862 0.030 . 1 . . . . A 10 ILE HD11 . 36345 1 99 . 1 . 1 10 10 ILE HD12 H 1 0.862 0.030 . 1 . . . . A 10 ILE HD12 . 36345 1 100 . 1 . 1 10 10 ILE HD13 H 1 0.862 0.030 . 1 . . . . A 10 ILE HD13 . 36345 1 101 . 1 . 1 10 10 ILE C C 13 179.357 0.300 . 1 . . . . A 10 ILE C . 36345 1 102 . 1 . 1 10 10 ILE CA C 13 61.560 0.300 . 1 . . . . A 10 ILE CA . 36345 1 103 . 1 . 1 10 10 ILE CB C 13 38.769 0.300 . 1 . . . . A 10 ILE CB . 36345 1 104 . 1 . 1 10 10 ILE CG1 C 13 29.101 0.300 . 1 . . . . A 10 ILE CG1 . 36345 1 105 . 1 . 1 10 10 ILE CG2 C 13 16.768 0.300 . 1 . . . . A 10 ILE CG2 . 36345 1 106 . 1 . 1 10 10 ILE CD1 C 13 13.695 0.300 . 1 . . . . A 10 ILE CD1 . 36345 1 107 . 1 . 1 10 10 ILE N N 15 129.268 0.300 . 1 . . . . A 10 ILE N . 36345 1 108 . 1 . 1 11 11 GLY H H 1 8.240 0.030 . 1 . . . . A 11 GLY H . 36345 1 109 . 1 . 1 11 11 GLY HA2 H 1 4.580 0.030 . 2 . . . . A 11 GLY HA2 . 36345 1 110 . 1 . 1 11 11 GLY HA3 H 1 3.440 0.030 . 2 . . . . A 11 GLY HA3 . 36345 1 111 . 1 . 1 11 11 GLY C C 13 178.821 0.300 . 1 . . . . A 11 GLY C . 36345 1 112 . 1 . 1 11 11 GLY CA C 13 44.735 0.300 . 1 . . . . A 11 GLY CA . 36345 1 113 . 1 . 1 11 11 GLY N N 15 113.602 0.300 . 1 . . . . A 11 GLY N . 36345 1 114 . 1 . 1 12 12 ILE H H 1 9.110 0.030 . 1 . . . . A 12 ILE H . 36345 1 115 . 1 . 1 12 12 ILE HA H 1 4.715 0.030 . 1 . . . . A 12 ILE HA . 36345 1 116 . 1 . 1 12 12 ILE HB H 1 1.866 0.030 . 1 . . . . A 12 ILE HB . 36345 1 117 . 1 . 1 12 12 ILE HG12 H 1 1.702 0.030 . 2 . . . . A 12 ILE HG12 . 36345 1 118 . 1 . 1 12 12 ILE HG13 H 1 1.303 0.030 . 2 . . . . A 12 ILE HG13 . 36345 1 119 . 1 . 1 12 12 ILE HG21 H 1 0.827 0.030 . 1 . . . . A 12 ILE HG21 . 36345 1 120 . 1 . 1 12 12 ILE HG22 H 1 0.827 0.030 . 1 . . . . A 12 ILE HG22 . 36345 1 121 . 1 . 1 12 12 ILE HG23 H 1 0.827 0.030 . 1 . . . . A 12 ILE HG23 . 36345 1 122 . 1 . 1 12 12 ILE HD11 H 1 0.814 0.030 . 1 . . . . A 12 ILE HD11 . 36345 1 123 . 1 . 1 12 12 ILE HD12 H 1 0.814 0.030 . 1 . . . . A 12 ILE HD12 . 36345 1 124 . 1 . 1 12 12 ILE HD13 H 1 0.814 0.030 . 1 . . . . A 12 ILE HD13 . 36345 1 125 . 1 . 1 12 12 ILE C C 13 180.968 0.300 . 1 . . . . A 12 ILE C . 36345 1 126 . 1 . 1 12 12 ILE CA C 13 57.578 0.300 . 1 . . . . A 12 ILE CA . 36345 1 127 . 1 . 1 12 12 ILE CB C 13 40.335 0.300 . 1 . . . . A 12 ILE CB . 36345 1 128 . 1 . 1 12 12 ILE CG1 C 13 27.627 0.300 . 1 . . . . A 12 ILE CG1 . 36345 1 129 . 1 . 1 12 12 ILE CG2 C 13 17.060 0.300 . 1 . . . . A 12 ILE CG2 . 36345 1 130 . 1 . 1 12 12 ILE CD1 C 13 11.652 0.300 . 1 . . . . A 12 ILE CD1 . 36345 1 131 . 1 . 1 12 12 ILE N N 15 119.303 0.300 . 1 . . . . A 12 ILE N . 36345 1 132 . 1 . 1 13 13 TYR H H 1 8.275 0.030 . 1 . . . . A 13 TYR H . 36345 1 133 . 1 . 1 13 13 TYR HA H 1 5.095 0.030 . 1 . . . . A 13 TYR HA . 36345 1 134 . 1 . 1 13 13 TYR HB2 H 1 2.596 0.030 . 2 . . . . A 13 TYR HB2 . 36345 1 135 . 1 . 1 13 13 TYR HB3 H 1 2.345 0.030 . 2 . . . . A 13 TYR HB3 . 36345 1 136 . 1 . 1 13 13 TYR HD1 H 1 6.982 0.030 . 1 . . . . A 13 TYR HD1 . 36345 1 137 . 1 . 1 13 13 TYR HD2 H 1 6.982 0.030 . 1 . . . . A 13 TYR HD2 . 36345 1 138 . 1 . 1 13 13 TYR HE1 H 1 7.032 0.030 . 1 . . . . A 13 TYR HE1 . 36345 1 139 . 1 . 1 13 13 TYR HE2 H 1 7.032 0.030 . 1 . . . . A 13 TYR HE2 . 36345 1 140 . 1 . 1 13 13 TYR C C 13 180.644 0.300 . 1 . . . . A 13 TYR C . 36345 1 141 . 1 . 1 13 13 TYR CA C 13 56.337 0.300 . 1 . . . . A 13 TYR CA . 36345 1 142 . 1 . 1 13 13 TYR CB C 13 39.873 0.300 . 1 . . . . A 13 TYR CB . 36345 1 143 . 1 . 1 13 13 TYR CD1 C 13 133.353 0.300 . 1 . . . . A 13 TYR CD1 . 36345 1 144 . 1 . 1 13 13 TYR CD2 C 13 133.353 0.300 . 1 . . . . A 13 TYR CD2 . 36345 1 145 . 1 . 1 13 13 TYR CE1 C 13 118.112 0.300 . 1 . . . . A 13 TYR CE1 . 36345 1 146 . 1 . 1 13 13 TYR CE2 C 13 118.112 0.300 . 1 . . . . A 13 TYR CE2 . 36345 1 147 . 1 . 1 13 13 TYR N N 15 128.230 0.300 . 1 . . . . A 13 TYR N . 36345 1 148 . 1 . 1 14 14 TRP H H 1 9.053 0.030 . 1 . . . . A 14 TRP H . 36345 1 149 . 1 . 1 14 14 TRP HA H 1 4.306 0.030 . 1 . . . . A 14 TRP HA . 36345 1 150 . 1 . 1 14 14 TRP HB2 H 1 2.997 0.030 . 2 . . . . A 14 TRP HB2 . 36345 1 151 . 1 . 1 14 14 TRP HB3 H 1 2.758 0.030 . 2 . . . . A 14 TRP HB3 . 36345 1 152 . 1 . 1 14 14 TRP HD1 H 1 6.887 0.030 . 1 . . . . A 14 TRP HD1 . 36345 1 153 . 1 . 1 14 14 TRP HE1 H 1 9.321 0.030 . 1 . . . . A 14 TRP HE1 . 36345 1 154 . 1 . 1 14 14 TRP HE3 H 1 7.795 0.030 . 1 . . . . A 14 TRP HE3 . 36345 1 155 . 1 . 1 14 14 TRP HZ2 H 1 7.651 0.030 . 1 . . . . A 14 TRP HZ2 . 36345 1 156 . 1 . 1 14 14 TRP HZ3 H 1 7.218 0.030 . 1 . . . . A 14 TRP HZ3 . 36345 1 157 . 1 . 1 14 14 TRP HH2 H 1 7.259 0.030 . 1 . . . . A 14 TRP HH2 . 36345 1 158 . 1 . 1 14 14 TRP C C 13 180.016 0.300 . 1 . . . . A 14 TRP C . 36345 1 159 . 1 . 1 14 14 TRP CA C 13 55.935 0.300 . 1 . . . . A 14 TRP CA . 36345 1 160 . 1 . 1 14 14 TRP CB C 13 29.269 0.300 . 1 . . . . A 14 TRP CB . 36345 1 161 . 1 . 1 14 14 TRP CD1 C 13 126.847 0.300 . 1 . . . . A 14 TRP CD1 . 36345 1 162 . 1 . 1 14 14 TRP CE3 C 13 120.994 0.300 . 1 . . . . A 14 TRP CE3 . 36345 1 163 . 1 . 1 14 14 TRP CZ2 C 13 114.329 0.300 . 1 . . . . A 14 TRP CZ2 . 36345 1 164 . 1 . 1 14 14 TRP CZ3 C 13 122.096 0.300 . 1 . . . . A 14 TRP CZ3 . 36345 1 165 . 1 . 1 14 14 TRP CH2 C 13 124.411 0.300 . 1 . . . . A 14 TRP CH2 . 36345 1 166 . 1 . 1 14 14 TRP N N 15 130.881 0.300 . 1 . . . . A 14 TRP N . 36345 1 167 . 1 . 1 14 14 TRP NE1 N 15 125.616 0.300 . 1 . . . . A 14 TRP NE1 . 36345 1 168 . 1 . 1 15 15 PHE H H 1 8.150 0.030 . 1 . . . . A 15 PHE H . 36345 1 169 . 1 . 1 15 15 PHE HA H 1 4.119 0.030 . 1 . . . . A 15 PHE HA . 36345 1 170 . 1 . 1 15 15 PHE HB2 H 1 3.103 0.030 . 2 . . . . A 15 PHE HB2 . 36345 1 171 . 1 . 1 15 15 PHE HB3 H 1 2.749 0.030 . 2 . . . . A 15 PHE HB3 . 36345 1 172 . 1 . 1 15 15 PHE HD1 H 1 7.283 0.030 . 1 . . . . A 15 PHE HD1 . 36345 1 173 . 1 . 1 15 15 PHE HD2 H 1 7.283 0.030 . 1 . . . . A 15 PHE HD2 . 36345 1 174 . 1 . 1 15 15 PHE HE1 H 1 7.403 0.030 . 1 . . . . A 15 PHE HE1 . 36345 1 175 . 1 . 1 15 15 PHE HE2 H 1 7.403 0.030 . 1 . . . . A 15 PHE HE2 . 36345 1 176 . 1 . 1 15 15 PHE HZ H 1 7.390 0.030 . 1 . . . . A 15 PHE HZ . 36345 1 177 . 1 . 1 15 15 PHE C C 13 171.864 0.300 . 1 . . . . A 15 PHE C . 36345 1 178 . 1 . 1 15 15 PHE CA C 13 58.340 0.300 . 1 . . . . A 15 PHE CA . 36345 1 179 . 1 . 1 15 15 PHE CB C 13 40.492 0.300 . 1 . . . . A 15 PHE CB . 36345 1 180 . 1 . 1 15 15 PHE CD1 C 13 132.111 0.300 . 1 . . . . A 15 PHE CD1 . 36345 1 181 . 1 . 1 15 15 PHE CD2 C 13 132.111 0.300 . 1 . . . . A 15 PHE CD2 . 36345 1 182 . 1 . 1 15 15 PHE CE1 C 13 132.069 0.300 . 1 . . . . A 15 PHE CE1 . 36345 1 183 . 1 . 1 15 15 PHE CE2 C 13 132.069 0.300 . 1 . . . . A 15 PHE CE2 . 36345 1 184 . 1 . 1 15 15 PHE CZ C 13 130.726 0.300 . 1 . . . . A 15 PHE CZ . 36345 1 185 . 1 . 1 15 15 PHE N N 15 123.962 0.300 . 1 . . . . A 15 PHE N . 36345 1 186 . 1 . 1 16 16 GLY H H 1 8.177 0.030 . 1 . . . . A 16 GLY H . 36345 1 187 . 1 . 1 16 16 GLY HA2 H 1 3.406 0.030 . 2 . . . . A 16 GLY HA2 . 36345 1 188 . 1 . 1 16 16 GLY HA3 H 1 3.309 0.030 . 2 . . . . A 16 GLY HA3 . 36345 1 189 . 1 . 1 16 16 GLY C C 13 178.778 0.300 . 1 . . . . A 16 GLY C . 36345 1 190 . 1 . 1 16 16 GLY CA C 13 46.432 0.300 . 1 . . . . A 16 GLY CA . 36345 1 191 . 1 . 1 16 16 GLY N N 15 114.215 0.300 . 1 . . . . A 16 GLY N . 36345 1 192 . 1 . 1 17 17 THR H H 1 7.089 0.030 . 1 . . . . A 17 THR H . 36345 1 193 . 1 . 1 17 17 THR HA H 1 4.641 0.030 . 1 . . . . A 17 THR HA . 36345 1 194 . 1 . 1 17 17 THR HB H 1 4.043 0.030 . 1 . . . . A 17 THR HB . 36345 1 195 . 1 . 1 17 17 THR HG21 H 1 1.019 0.030 . 1 . . . . A 17 THR HG21 . 36345 1 196 . 1 . 1 17 17 THR HG22 H 1 1.019 0.030 . 1 . . . . A 17 THR HG22 . 36345 1 197 . 1 . 1 17 17 THR HG23 H 1 1.019 0.030 . 1 . . . . A 17 THR HG23 . 36345 1 198 . 1 . 1 17 17 THR C C 13 177.632 0.300 . 1 . . . . A 17 THR C . 36345 1 199 . 1 . 1 17 17 THR CA C 13 58.811 0.300 . 1 . . . . A 17 THR CA . 36345 1 200 . 1 . 1 17 17 THR CB C 13 70.206 0.300 . 1 . . . . A 17 THR CB . 36345 1 201 . 1 . 1 17 17 THR CG2 C 13 19.515 0.300 . 1 . . . . A 17 THR CG2 . 36345 1 202 . 1 . 1 17 17 THR N N 15 112.339 0.300 . 1 . . . . A 17 THR N . 36345 1 203 . 1 . 1 18 18 LYS H H 1 8.188 0.030 . 1 . . . . A 18 LYS H . 36345 1 204 . 1 . 1 18 18 LYS HA H 1 4.397 0.030 . 1 . . . . A 18 LYS HA . 36345 1 205 . 1 . 1 18 18 LYS HB2 H 1 1.949 0.030 . 2 . . . . A 18 LYS HB2 . 36345 1 206 . 1 . 1 18 18 LYS HB3 H 1 1.645 0.030 . 2 . . . . A 18 LYS HB3 . 36345 1 207 . 1 . 1 18 18 LYS HG2 H 1 1.425 0.030 . 1 . . . . A 18 LYS HG2 . 36345 1 208 . 1 . 1 18 18 LYS HG3 H 1 1.425 0.030 . 1 . . . . A 18 LYS HG3 . 36345 1 209 . 1 . 1 18 18 LYS HD2 H 1 1.630 0.030 . 1 . . . . A 18 LYS HD2 . 36345 1 210 . 1 . 1 18 18 LYS HD3 H 1 1.630 0.030 . 1 . . . . A 18 LYS HD3 . 36345 1 211 . 1 . 1 18 18 LYS HE2 H 1 2.945 0.030 . 1 . . . . A 18 LYS HE2 . 36345 1 212 . 1 . 1 18 18 LYS HE3 H 1 2.945 0.030 . 1 . . . . A 18 LYS HE3 . 36345 1 213 . 1 . 1 18 18 LYS C C 13 181.934 0.300 . 1 . . . . A 18 LYS C . 36345 1 214 . 1 . 1 18 18 LYS CA C 13 55.740 0.300 . 1 . . . . A 18 LYS CA . 36345 1 215 . 1 . 1 18 18 LYS CB C 13 33.019 0.300 . 1 . . . . A 18 LYS CB . 36345 1 216 . 1 . 1 18 18 LYS CG C 13 24.787 0.300 . 1 . . . . A 18 LYS CG . 36345 1 217 . 1 . 1 18 18 LYS CD C 13 28.798 0.300 . 1 . . . . A 18 LYS CD . 36345 1 218 . 1 . 1 18 18 LYS CE C 13 42.088 0.300 . 1 . . . . A 18 LYS CE . 36345 1 219 . 1 . 1 18 18 LYS N N 15 121.904 0.300 . 1 . . . . A 18 LYS N . 36345 1 220 . 1 . 1 19 19 THR H H 1 7.813 0.030 . 1 . . . . A 19 THR H . 36345 1 221 . 1 . 1 19 19 THR HA H 1 4.329 0.030 . 1 . . . . A 19 THR HA . 36345 1 222 . 1 . 1 19 19 THR HB H 1 3.761 0.030 . 1 . . . . A 19 THR HB . 36345 1 223 . 1 . 1 19 19 THR HG21 H 1 1.041 0.030 . 1 . . . . A 19 THR HG21 . 36345 1 224 . 1 . 1 19 19 THR HG22 H 1 1.041 0.030 . 1 . . . . A 19 THR HG22 . 36345 1 225 . 1 . 1 19 19 THR HG23 H 1 1.041 0.030 . 1 . . . . A 19 THR HG23 . 36345 1 226 . 1 . 1 19 19 THR C C 13 179.364 0.300 . 1 . . . . A 19 THR C . 36345 1 227 . 1 . 1 19 19 THR CA C 13 60.103 0.300 . 1 . . . . A 19 THR CA . 36345 1 228 . 1 . 1 19 19 THR CB C 13 71.343 0.300 . 1 . . . . A 19 THR CB . 36345 1 229 . 1 . 1 19 19 THR CG2 C 13 21.516 0.300 . 1 . . . . A 19 THR CG2 . 36345 1 230 . 1 . 1 19 19 THR N N 15 113.269 0.300 . 1 . . . . A 19 THR N . 36345 1 231 . 1 . 1 20 20 CYS H H 1 8.804 0.030 . 1 . . . . A 20 CYS H . 36345 1 232 . 1 . 1 20 20 CYS HA H 1 3.979 0.030 . 1 . . . . A 20 CYS HA . 36345 1 233 . 1 . 1 20 20 CYS HB2 H 1 2.809 0.030 . 2 . . . . A 20 CYS HB2 . 36345 1 234 . 1 . 1 20 20 CYS HB3 H 1 2.693 0.030 . 2 . . . . A 20 CYS HB3 . 36345 1 235 . 1 . 1 20 20 CYS CA C 13 55.361 0.300 . 1 . . . . A 20 CYS CA . 36345 1 236 . 1 . 1 20 20 CYS CB C 13 41.639 0.300 . 1 . . . . A 20 CYS CB . 36345 1 237 . 1 . 1 20 20 CYS N N 15 124.247 0.300 . 1 . . . . A 20 CYS N . 36345 1 238 . 1 . 1 21 21 PRO HA H 1 4.129 0.030 . 1 . . . . A 21 PRO HA . 36345 1 239 . 1 . 1 21 21 PRO HB2 H 1 1.998 0.030 . 2 . . . . A 21 PRO HB2 . 36345 1 240 . 1 . 1 21 21 PRO HB3 H 1 1.382 0.030 . 2 . . . . A 21 PRO HB3 . 36345 1 241 . 1 . 1 21 21 PRO HG2 H 1 0.831 0.030 . 2 . . . . A 21 PRO HG2 . 36345 1 242 . 1 . 1 21 21 PRO HG3 H 1 0.318 0.030 . 2 . . . . A 21 PRO HG3 . 36345 1 243 . 1 . 1 21 21 PRO HD2 H 1 2.771 0.030 . 2 . . . . A 21 PRO HD2 . 36345 1 244 . 1 . 1 21 21 PRO HD3 H 1 2.587 0.030 . 2 . . . . A 21 PRO HD3 . 36345 1 245 . 1 . 1 21 21 PRO C C 13 182.017 0.300 . 1 . . . . A 21 PRO C . 36345 1 246 . 1 . 1 21 21 PRO CA C 13 63.251 0.300 . 1 . . . . A 21 PRO CA . 36345 1 247 . 1 . 1 21 21 PRO CB C 13 32.299 0.300 . 1 . . . . A 21 PRO CB . 36345 1 248 . 1 . 1 21 21 PRO CG C 13 26.307 0.300 . 1 . . . . A 21 PRO CG . 36345 1 249 . 1 . 1 21 21 PRO CD C 13 49.716 0.300 . 1 . . . . A 21 PRO CD . 36345 1 250 . 1 . 1 22 22 SER H H 1 8.317 0.030 . 1 . . . . A 22 SER H . 36345 1 251 . 1 . 1 22 22 SER HA H 1 4.279 0.030 . 1 . . . . A 22 SER HA . 36345 1 252 . 1 . 1 22 22 SER HB2 H 1 3.861 0.030 . 2 . . . . A 22 SER HB2 . 36345 1 253 . 1 . 1 22 22 SER HB3 H 1 3.841 0.030 . 2 . . . . A 22 SER HB3 . 36345 1 254 . 1 . 1 22 22 SER C C 13 179.916 0.300 . 1 . . . . A 22 SER C . 36345 1 255 . 1 . 1 22 22 SER CA C 13 58.894 0.300 . 1 . . . . A 22 SER CA . 36345 1 256 . 1 . 1 22 22 SER CB C 13 64.451 0.300 . 1 . . . . A 22 SER CB . 36345 1 257 . 1 . 1 22 22 SER N N 15 116.615 0.300 . 1 . . . . A 22 SER N . 36345 1 258 . 1 . 1 23 23 ASN H H 1 8.700 0.030 . 1 . . . . A 23 ASN H . 36345 1 259 . 1 . 1 23 23 ASN HA H 1 4.486 0.030 . 1 . . . . A 23 ASN HA . 36345 1 260 . 1 . 1 23 23 ASN HB2 H 1 2.894 0.030 . 2 . . . . A 23 ASN HB2 . 36345 1 261 . 1 . 1 23 23 ASN HB3 H 1 2.891 0.030 . 2 . . . . A 23 ASN HB3 . 36345 1 262 . 1 . 1 23 23 ASN HD21 H 1 7.536 0.030 . 2 . . . . A 23 ASN HD21 . 36345 1 263 . 1 . 1 23 23 ASN HD22 H 1 6.826 0.030 . 2 . . . . A 23 ASN HD22 . 36345 1 264 . 1 . 1 23 23 ASN C C 13 181.033 0.300 . 1 . . . . A 23 ASN C . 36345 1 265 . 1 . 1 23 23 ASN CA C 13 54.335 0.300 . 1 . . . . A 23 ASN CA . 36345 1 266 . 1 . 1 23 23 ASN CB C 13 37.253 0.300 . 1 . . . . A 23 ASN CB . 36345 1 267 . 1 . 1 23 23 ASN N N 15 114.933 0.300 . 1 . . . . A 23 ASN N . 36345 1 268 . 1 . 1 23 23 ASN ND2 N 15 112.908 0.300 . 1 . . . . A 23 ASN ND2 . 36345 1 269 . 1 . 1 24 24 ARG H H 1 8.518 0.030 . 1 . . . . A 24 ARG H . 36345 1 270 . 1 . 1 24 24 ARG HA H 1 4.347 0.030 . 1 . . . . A 24 ARG HA . 36345 1 271 . 1 . 1 24 24 ARG HB2 H 1 1.493 0.030 . 2 . . . . A 24 ARG HB2 . 36345 1 272 . 1 . 1 24 24 ARG HB3 H 1 0.624 0.030 . 2 . . . . A 24 ARG HB3 . 36345 1 273 . 1 . 1 24 24 ARG HG2 H 1 1.386 0.030 . 1 . . . . A 24 ARG HG2 . 36345 1 274 . 1 . 1 24 24 ARG HG3 H 1 1.386 0.030 . 1 . . . . A 24 ARG HG3 . 36345 1 275 . 1 . 1 24 24 ARG HD2 H 1 3.243 0.030 . 2 . . . . A 24 ARG HD2 . 36345 1 276 . 1 . 1 24 24 ARG HD3 H 1 3.061 0.030 . 2 . . . . A 24 ARG HD3 . 36345 1 277 . 1 . 1 24 24 ARG HE H 1 7.615 0.030 . 1 . . . . A 24 ARG HE . 36345 1 278 . 1 . 1 24 24 ARG C C 13 170.035 0.300 . 1 . . . . A 24 ARG C . 36345 1 279 . 1 . 1 24 24 ARG CA C 13 54.704 0.300 . 1 . . . . A 24 ARG CA . 36345 1 280 . 1 . 1 24 24 ARG CB C 13 31.546 0.300 . 1 . . . . A 24 ARG CB . 36345 1 281 . 1 . 1 24 24 ARG CG C 13 27.724 0.300 . 1 . . . . A 24 ARG CG . 36345 1 282 . 1 . 1 24 24 ARG CD C 13 43.122 0.300 . 1 . . . . A 24 ARG CD . 36345 1 283 . 1 . 1 24 24 ARG N N 15 117.467 0.300 . 1 . . . . A 24 ARG N . 36345 1 284 . 1 . 1 24 24 ARG NE N 15 85.620 0.300 . 1 . . . . A 24 ARG NE . 36345 1 285 . 1 . 1 25 25 GLY H H 1 8.263 0.030 . 1 . . . . A 25 GLY H . 36345 1 286 . 1 . 1 25 25 GLY HA2 H 1 3.860 0.030 . 2 . . . . A 25 GLY HA2 . 36345 1 287 . 1 . 1 25 25 GLY HA3 H 1 3.537 0.030 . 2 . . . . A 25 GLY HA3 . 36345 1 288 . 1 . 1 25 25 GLY C C 13 180.308 0.300 . 1 . . . . A 25 GLY C . 36345 1 289 . 1 . 1 25 25 GLY CA C 13 45.269 0.300 . 1 . . . . A 25 GLY CA . 36345 1 290 . 1 . 1 25 25 GLY N N 15 108.687 0.300 . 1 . . . . A 25 GLY N . 36345 1 291 . 1 . 1 26 26 TYR H H 1 7.444 0.030 . 1 . . . . A 26 TYR H . 36345 1 292 . 1 . 1 26 26 TYR HA H 1 4.726 0.030 . 1 . . . . A 26 TYR HA . 36345 1 293 . 1 . 1 26 26 TYR HB2 H 1 3.134 0.030 . 2 . . . . A 26 TYR HB2 . 36345 1 294 . 1 . 1 26 26 TYR HB3 H 1 2.691 0.030 . 2 . . . . A 26 TYR HB3 . 36345 1 295 . 1 . 1 26 26 TYR HD1 H 1 7.149 0.030 . 1 . . . . A 26 TYR HD1 . 36345 1 296 . 1 . 1 26 26 TYR HD2 H 1 7.149 0.030 . 1 . . . . A 26 TYR HD2 . 36345 1 297 . 1 . 1 26 26 TYR HE1 H 1 6.718 0.030 . 1 . . . . A 26 TYR HE1 . 36345 1 298 . 1 . 1 26 26 TYR HE2 H 1 6.718 0.030 . 1 . . . . A 26 TYR HE2 . 36345 1 299 . 1 . 1 26 26 TYR C C 13 171.993 0.300 . 1 . . . . A 26 TYR C . 36345 1 300 . 1 . 1 26 26 TYR CA C 13 57.805 0.300 . 1 . . . . A 26 TYR CA . 36345 1 301 . 1 . 1 26 26 TYR CB C 13 36.802 0.300 . 1 . . . . A 26 TYR CB . 36345 1 302 . 1 . 1 26 26 TYR CD1 C 13 133.219 0.300 . 1 . . . . A 26 TYR CD1 . 36345 1 303 . 1 . 1 26 26 TYR CD2 C 13 133.219 0.300 . 1 . . . . A 26 TYR CD2 . 36345 1 304 . 1 . 1 26 26 TYR CE1 C 13 120.301 0.300 . 1 . . . . A 26 TYR CE1 . 36345 1 305 . 1 . 1 26 26 TYR CE2 C 13 120.301 0.300 . 1 . . . . A 26 TYR CE2 . 36345 1 306 . 1 . 1 26 26 TYR N N 15 117.879 0.300 . 1 . . . . A 26 TYR N . 36345 1 307 . 1 . 1 27 27 THR H H 1 9.730 0.030 . 1 . . . . A 27 THR H . 36345 1 308 . 1 . 1 27 27 THR HA H 1 4.524 0.030 . 1 . . . . A 27 THR HA . 36345 1 309 . 1 . 1 27 27 THR HB H 1 4.250 0.030 . 1 . . . . A 27 THR HB . 36345 1 310 . 1 . 1 27 27 THR HG21 H 1 1.252 0.030 . 1 . . . . A 27 THR HG21 . 36345 1 311 . 1 . 1 27 27 THR HG22 H 1 1.252 0.030 . 1 . . . . A 27 THR HG22 . 36345 1 312 . 1 . 1 27 27 THR HG23 H 1 1.252 0.030 . 1 . . . . A 27 THR HG23 . 36345 1 313 . 1 . 1 27 27 THR C C 13 180.505 0.300 . 1 . . . . A 27 THR C . 36345 1 314 . 1 . 1 27 27 THR CA C 13 61.478 0.300 . 1 . . . . A 27 THR CA . 36345 1 315 . 1 . 1 27 27 THR CB C 13 70.142 0.300 . 1 . . . . A 27 THR CB . 36345 1 316 . 1 . 1 27 27 THR CG2 C 13 21.644 0.300 . 1 . . . . A 27 THR CG2 . 36345 1 317 . 1 . 1 27 27 THR N N 15 114.420 0.300 . 1 . . . . A 27 THR N . 36345 1 318 . 1 . 1 28 28 GLY H H 1 7.671 0.030 . 1 . . . . A 28 GLY H . 36345 1 319 . 1 . 1 28 28 GLY HA2 H 1 4.109 0.030 . 2 . . . . A 28 GLY HA2 . 36345 1 320 . 1 . 1 28 28 GLY HA3 H 1 3.270 0.030 . 2 . . . . A 28 GLY HA3 . 36345 1 321 . 1 . 1 28 28 GLY C C 13 175.827 0.300 . 1 . . . . A 28 GLY C . 36345 1 322 . 1 . 1 28 28 GLY CA C 13 44.468 0.300 . 1 . . . . A 28 GLY CA . 36345 1 323 . 1 . 1 28 28 GLY N N 15 111.121 0.300 . 1 . . . . A 28 GLY N . 36345 1 324 . 1 . 1 29 29 SER H H 1 7.902 0.030 . 1 . . . . A 29 SER H . 36345 1 325 . 1 . 1 29 29 SER HA H 1 5.459 0.030 . 1 . . . . A 29 SER HA . 36345 1 326 . 1 . 1 29 29 SER HB2 H 1 4.073 0.030 . 2 . . . . A 29 SER HB2 . 36345 1 327 . 1 . 1 29 29 SER HB3 H 1 3.613 0.030 . 2 . . . . A 29 SER HB3 . 36345 1 328 . 1 . 1 29 29 SER C C 13 179.962 0.300 . 1 . . . . A 29 SER C . 36345 1 329 . 1 . 1 29 29 SER CA C 13 57.329 0.300 . 1 . . . . A 29 SER CA . 36345 1 330 . 1 . 1 29 29 SER CB C 13 68.122 0.300 . 1 . . . . A 29 SER CB . 36345 1 331 . 1 . 1 29 29 SER N N 15 108.908 0.300 . 1 . . . . A 29 SER N . 36345 1 332 . 1 . 1 30 30 CYS H H 1 8.931 0.030 . 1 . . . . A 30 CYS H . 36345 1 333 . 1 . 1 30 30 CYS HA H 1 5.138 0.030 . 1 . . . . A 30 CYS HA . 36345 1 334 . 1 . 1 30 30 CYS HB2 H 1 3.477 0.030 . 2 . . . . A 30 CYS HB2 . 36345 1 335 . 1 . 1 30 30 CYS HB3 H 1 3.421 0.030 . 2 . . . . A 30 CYS HB3 . 36345 1 336 . 1 . 1 30 30 CYS C C 13 179.208 0.300 . 1 . . . . A 30 CYS C . 36345 1 337 . 1 . 1 30 30 CYS CA C 13 55.739 0.300 . 1 . . . . A 30 CYS CA . 36345 1 338 . 1 . 1 30 30 CYS CB C 13 43.246 0.300 . 1 . . . . A 30 CYS CB . 36345 1 339 . 1 . 1 30 30 CYS N N 15 112.129 0.300 . 1 . . . . A 30 CYS N . 36345 1 340 . 1 . 1 31 31 GLY H H 1 8.835 0.030 . 1 . . . . A 31 GLY H . 36345 1 341 . 1 . 1 31 31 GLY HA2 H 1 4.190 0.030 . 2 . . . . A 31 GLY HA2 . 36345 1 342 . 1 . 1 31 31 GLY HA3 H 1 3.868 0.030 . 2 . . . . A 31 GLY HA3 . 36345 1 343 . 1 . 1 31 31 GLY C C 13 179.208 0.300 . 1 . . . . A 31 GLY C . 36345 1 344 . 1 . 1 31 31 GLY CA C 13 46.408 0.300 . 1 . . . . A 31 GLY CA . 36345 1 345 . 1 . 1 31 31 GLY N N 15 109.482 0.300 . 1 . . . . A 31 GLY N . 36345 1 346 . 1 . 1 32 32 TYR H H 1 7.940 0.030 . 1 . . . . A 32 TYR H . 36345 1 347 . 1 . 1 32 32 TYR HA H 1 4.517 0.030 . 1 . . . . A 32 TYR HA . 36345 1 348 . 1 . 1 32 32 TYR HB2 H 1 2.946 0.030 . 2 . . . . A 32 TYR HB2 . 36345 1 349 . 1 . 1 32 32 TYR HB3 H 1 2.784 0.030 . 2 . . . . A 32 TYR HB3 . 36345 1 350 . 1 . 1 32 32 TYR HD1 H 1 7.119 0.030 . 1 . . . . A 32 TYR HD1 . 36345 1 351 . 1 . 1 32 32 TYR HD2 H 1 7.119 0.030 . 1 . . . . A 32 TYR HD2 . 36345 1 352 . 1 . 1 32 32 TYR HE1 H 1 6.765 0.030 . 1 . . . . A 32 TYR HE1 . 36345 1 353 . 1 . 1 32 32 TYR HE2 H 1 6.765 0.030 . 1 . . . . A 32 TYR HE2 . 36345 1 354 . 1 . 1 32 32 TYR C C 13 179.711 0.300 . 1 . . . . A 32 TYR C . 36345 1 355 . 1 . 1 32 32 TYR CA C 13 58.555 0.300 . 1 . . . . A 32 TYR CA . 36345 1 356 . 1 . 1 32 32 TYR CB C 13 43.441 0.300 . 1 . . . . A 32 TYR CB . 36345 1 357 . 1 . 1 32 32 TYR CD1 C 13 134.268 0.300 . 1 . . . . A 32 TYR CD1 . 36345 1 358 . 1 . 1 32 32 TYR CD2 C 13 134.268 0.300 . 1 . . . . A 32 TYR CD2 . 36345 1 359 . 1 . 1 32 32 TYR CE1 C 13 118.440 0.300 . 1 . . . . A 32 TYR CE1 . 36345 1 360 . 1 . 1 32 32 TYR CE2 C 13 118.440 0.300 . 1 . . . . A 32 TYR CE2 . 36345 1 361 . 1 . 1 32 32 TYR N N 15 124.960 0.300 . 1 . . . . A 32 TYR N . 36345 1 362 . 1 . 1 33 33 PHE H H 1 8.539 0.030 . 1 . . . . A 33 PHE H . 36345 1 363 . 1 . 1 33 33 PHE HA H 1 4.180 0.030 . 1 . . . . A 33 PHE HA . 36345 1 364 . 1 . 1 33 33 PHE HB2 H 1 2.990 0.030 . 2 . . . . A 33 PHE HB2 . 36345 1 365 . 1 . 1 33 33 PHE HB3 H 1 2.846 0.030 . 2 . . . . A 33 PHE HB3 . 36345 1 366 . 1 . 1 33 33 PHE HD1 H 1 6.938 0.030 . 1 . . . . A 33 PHE HD1 . 36345 1 367 . 1 . 1 33 33 PHE HD2 H 1 6.938 0.030 . 1 . . . . A 33 PHE HD2 . 36345 1 368 . 1 . 1 33 33 PHE HE1 H 1 7.285 0.030 . 1 . . . . A 33 PHE HE1 . 36345 1 369 . 1 . 1 33 33 PHE HE2 H 1 7.285 0.030 . 1 . . . . A 33 PHE HE2 . 36345 1 370 . 1 . 1 33 33 PHE HZ H 1 7.362 0.030 . 1 . . . . A 33 PHE HZ . 36345 1 371 . 1 . 1 33 33 PHE CA C 13 59.142 0.300 . 1 . . . . A 33 PHE CA . 36345 1 372 . 1 . 1 33 33 PHE CB C 13 37.448 0.300 . 1 . . . . A 33 PHE CB . 36345 1 373 . 1 . 1 33 33 PHE CD1 C 13 131.365 0.300 . 1 . . . . A 33 PHE CD1 . 36345 1 374 . 1 . 1 33 33 PHE CD2 C 13 131.365 0.300 . 1 . . . . A 33 PHE CD2 . 36345 1 375 . 1 . 1 33 33 PHE CE1 C 13 129.759 0.300 . 1 . . . . A 33 PHE CE1 . 36345 1 376 . 1 . 1 33 33 PHE CE2 C 13 129.759 0.300 . 1 . . . . A 33 PHE CE2 . 36345 1 377 . 1 . 1 33 33 PHE CZ C 13 130.169 0.300 . 1 . . . . A 33 PHE CZ . 36345 1 378 . 1 . 1 33 33 PHE N N 15 125.892 0.300 . 1 . . . . A 33 PHE N . 36345 1 379 . 1 . 1 34 34 LEU HA H 1 4.492 0.030 . 1 . . . . A 34 LEU HA . 36345 1 380 . 1 . 1 34 34 LEU HB2 H 1 1.830 0.030 . 1 . . . . A 34 LEU HB2 . 36345 1 381 . 1 . 1 34 34 LEU HB3 H 1 1.830 0.030 . 1 . . . . A 34 LEU HB3 . 36345 1 382 . 1 . 1 34 34 LEU HG H 1 0.890 0.030 . 1 . . . . A 34 LEU HG . 36345 1 383 . 1 . 1 34 34 LEU HD11 H 1 0.894 0.030 . 2 . . . . A 34 LEU HD11 . 36345 1 384 . 1 . 1 34 34 LEU HD12 H 1 0.894 0.030 . 2 . . . . A 34 LEU HD12 . 36345 1 385 . 1 . 1 34 34 LEU HD13 H 1 0.894 0.030 . 2 . . . . A 34 LEU HD13 . 36345 1 386 . 1 . 1 34 34 LEU HD21 H 1 0.746 0.030 . 2 . . . . A 34 LEU HD21 . 36345 1 387 . 1 . 1 34 34 LEU HD22 H 1 0.746 0.030 . 2 . . . . A 34 LEU HD22 . 36345 1 388 . 1 . 1 34 34 LEU HD23 H 1 0.746 0.030 . 2 . . . . A 34 LEU HD23 . 36345 1 389 . 1 . 1 34 34 LEU C C 13 170.991 0.300 . 1 . . . . A 34 LEU C . 36345 1 390 . 1 . 1 34 34 LEU CA C 13 54.765 0.300 . 1 . . . . A 34 LEU CA . 36345 1 391 . 1 . 1 34 34 LEU CB C 13 40.821 0.300 . 1 . . . . A 34 LEU CB . 36345 1 392 . 1 . 1 34 34 LEU CG C 13 25.679 0.300 . 1 . . . . A 34 LEU CG . 36345 1 393 . 1 . 1 34 34 LEU CD1 C 13 25.849 0.300 . 2 . . . . A 34 LEU CD1 . 36345 1 394 . 1 . 1 34 34 LEU CD2 C 13 22.294 0.300 . 2 . . . . A 34 LEU CD2 . 36345 1 395 . 1 . 1 35 35 GLY H H 1 8.636 0.030 . 1 . . . . A 35 GLY H . 36345 1 396 . 1 . 1 35 35 GLY HA2 H 1 4.438 0.030 . 2 . . . . A 35 GLY HA2 . 36345 1 397 . 1 . 1 35 35 GLY HA3 H 1 4.425 0.030 . 2 . . . . A 35 GLY HA3 . 36345 1 398 . 1 . 1 35 35 GLY C C 13 177.962 0.300 . 1 . . . . A 35 GLY C . 36345 1 399 . 1 . 1 35 35 GLY CA C 13 47.333 0.300 . 1 . . . . A 35 GLY CA . 36345 1 400 . 1 . 1 35 35 GLY N N 15 109.939 0.300 . 1 . . . . A 35 GLY N . 36345 1 401 . 1 . 1 36 36 ILE H H 1 8.763 0.030 . 1 . . . . A 36 ILE H . 36345 1 402 . 1 . 1 36 36 ILE HA H 1 5.098 0.030 . 1 . . . . A 36 ILE HA . 36345 1 403 . 1 . 1 36 36 ILE HB H 1 1.735 0.030 . 1 . . . . A 36 ILE HB . 36345 1 404 . 1 . 1 36 36 ILE HG12 H 1 1.435 0.030 . 2 . . . . A 36 ILE HG12 . 36345 1 405 . 1 . 1 36 36 ILE HG13 H 1 1.106 0.030 . 2 . . . . A 36 ILE HG13 . 36345 1 406 . 1 . 1 36 36 ILE HG21 H 1 0.843 0.030 . 1 . . . . A 36 ILE HG21 . 36345 1 407 . 1 . 1 36 36 ILE HG22 H 1 0.843 0.030 . 1 . . . . A 36 ILE HG22 . 36345 1 408 . 1 . 1 36 36 ILE HG23 H 1 0.843 0.030 . 1 . . . . A 36 ILE HG23 . 36345 1 409 . 1 . 1 36 36 ILE HD11 H 1 0.603 0.030 . 1 . . . . A 36 ILE HD11 . 36345 1 410 . 1 . 1 36 36 ILE HD12 H 1 0.603 0.030 . 1 . . . . A 36 ILE HD12 . 36345 1 411 . 1 . 1 36 36 ILE HD13 H 1 0.603 0.030 . 1 . . . . A 36 ILE HD13 . 36345 1 412 . 1 . 1 36 36 ILE C C 13 176.804 0.300 . 1 . . . . A 36 ILE C . 36345 1 413 . 1 . 1 36 36 ILE CA C 13 59.369 0.300 . 1 . . . . A 36 ILE CA . 36345 1 414 . 1 . 1 36 36 ILE CB C 13 43.414 0.300 . 1 . . . . A 36 ILE CB . 36345 1 415 . 1 . 1 36 36 ILE CG1 C 13 27.898 0.300 . 1 . . . . A 36 ILE CG1 . 36345 1 416 . 1 . 1 36 36 ILE CG2 C 13 17.054 0.300 . 1 . . . . A 36 ILE CG2 . 36345 1 417 . 1 . 1 36 36 ILE CD1 C 13 15.016 0.300 . 1 . . . . A 36 ILE CD1 . 36345 1 418 . 1 . 1 36 36 ILE N N 15 125.393 0.300 . 1 . . . . A 36 ILE N . 36345 1 419 . 1 . 1 37 37 CYS H H 1 9.166 0.030 . 1 . . . . A 37 CYS H . 36345 1 420 . 1 . 1 37 37 CYS HA H 1 5.306 0.030 . 1 . . . . A 37 CYS HA . 36345 1 421 . 1 . 1 37 37 CYS HB2 H 1 3.513 0.030 . 2 . . . . A 37 CYS HB2 . 36345 1 422 . 1 . 1 37 37 CYS HB3 H 1 2.265 0.030 . 2 . . . . A 37 CYS HB3 . 36345 1 423 . 1 . 1 37 37 CYS C C 13 179.638 0.300 . 1 . . . . A 37 CYS C . 36345 1 424 . 1 . 1 37 37 CYS CA C 13 54.012 0.300 . 1 . . . . A 37 CYS CA . 36345 1 425 . 1 . 1 37 37 CYS CB C 13 43.683 0.300 . 1 . . . . A 37 CYS CB . 36345 1 426 . 1 . 1 37 37 CYS N N 15 126.201 0.300 . 1 . . . . A 37 CYS N . 36345 1 427 . 1 . 1 38 38 CYS H H 1 8.810 0.030 . 1 . . . . A 38 CYS H . 36345 1 428 . 1 . 1 38 38 CYS HA H 1 4.674 0.030 . 1 . . . . A 38 CYS HA . 36345 1 429 . 1 . 1 38 38 CYS HB2 H 1 2.118 0.030 . 2 . . . . A 38 CYS HB2 . 36345 1 430 . 1 . 1 38 38 CYS HB3 H 1 1.364 0.030 . 2 . . . . A 38 CYS HB3 . 36345 1 431 . 1 . 1 38 38 CYS C C 13 177.409 0.300 . 1 . . . . A 38 CYS C . 36345 1 432 . 1 . 1 38 38 CYS CA C 13 56.164 0.300 . 1 . . . . A 38 CYS CA . 36345 1 433 . 1 . 1 38 38 CYS CB C 13 45.573 0.300 . 1 . . . . A 38 CYS CB . 36345 1 434 . 1 . 1 38 38 CYS N N 15 126.483 0.300 . 1 . . . . A 38 CYS N . 36345 1 435 . 1 . 1 39 39 TYR H H 1 7.927 0.030 . 1 . . . . A 39 TYR H . 36345 1 436 . 1 . 1 39 39 TYR HA H 1 5.043 0.030 . 1 . . . . A 39 TYR HA . 36345 1 437 . 1 . 1 39 39 TYR HB2 H 1 3.080 0.030 . 2 . . . . A 39 TYR HB2 . 36345 1 438 . 1 . 1 39 39 TYR HB3 H 1 2.550 0.030 . 2 . . . . A 39 TYR HB3 . 36345 1 439 . 1 . 1 39 39 TYR HD1 H 1 6.554 0.030 . 1 . . . . A 39 TYR HD1 . 36345 1 440 . 1 . 1 39 39 TYR HD2 H 1 6.554 0.030 . 1 . . . . A 39 TYR HD2 . 36345 1 441 . 1 . 1 39 39 TYR HE1 H 1 6.621 0.030 . 1 . . . . A 39 TYR HE1 . 36345 1 442 . 1 . 1 39 39 TYR HE2 H 1 6.621 0.030 . 1 . . . . A 39 TYR HE2 . 36345 1 443 . 1 . 1 39 39 TYR CA C 13 54.401 0.300 . 1 . . . . A 39 TYR CA . 36345 1 444 . 1 . 1 39 39 TYR CB C 13 40.301 0.300 . 1 . . . . A 39 TYR CB . 36345 1 445 . 1 . 1 39 39 TYR CD1 C 13 134.050 0.300 . 1 . . . . A 39 TYR CD1 . 36345 1 446 . 1 . 1 39 39 TYR CD2 C 13 134.050 0.300 . 1 . . . . A 39 TYR CD2 . 36345 1 447 . 1 . 1 39 39 TYR CE1 C 13 117.724 0.300 . 1 . . . . A 39 TYR CE1 . 36345 1 448 . 1 . 1 39 39 TYR CE2 C 13 117.724 0.300 . 1 . . . . A 39 TYR CE2 . 36345 1 449 . 1 . 1 39 39 TYR N N 15 118.661 0.300 . 1 . . . . A 39 TYR N . 36345 1 450 . 1 . 1 40 40 PRO HA H 1 5.165 0.030 . 1 . . . . A 40 PRO HA . 36345 1 451 . 1 . 1 40 40 PRO HB2 H 1 2.663 0.030 . 2 . . . . A 40 PRO HB2 . 36345 1 452 . 1 . 1 40 40 PRO HB3 H 1 2.321 0.030 . 2 . . . . A 40 PRO HB3 . 36345 1 453 . 1 . 1 40 40 PRO HG2 H 1 2.059 0.030 . 2 . . . . A 40 PRO HG2 . 36345 1 454 . 1 . 1 40 40 PRO HG3 H 1 2.044 0.030 . 2 . . . . A 40 PRO HG3 . 36345 1 455 . 1 . 1 40 40 PRO HD2 H 1 4.228 0.030 . 2 . . . . A 40 PRO HD2 . 36345 1 456 . 1 . 1 40 40 PRO HD3 H 1 4.127 0.030 . 2 . . . . A 40 PRO HD3 . 36345 1 457 . 1 . 1 40 40 PRO C C 13 169.683 0.300 . 1 . . . . A 40 PRO C . 36345 1 458 . 1 . 1 40 40 PRO CA C 13 62.471 0.300 . 1 . . . . A 40 PRO CA . 36345 1 459 . 1 . 1 40 40 PRO CB C 13 35.842 0.300 . 1 . . . . A 40 PRO CB . 36345 1 460 . 1 . 1 40 40 PRO CG C 13 24.915 0.300 . 1 . . . . A 40 PRO CG . 36345 1 461 . 1 . 1 40 40 PRO CD C 13 51.565 0.300 . 1 . . . . A 40 PRO CD . 36345 1 462 . 1 . 1 41 41 VAL H H 1 8.271 0.030 . 1 . . . . A 41 VAL H . 36345 1 463 . 1 . 1 41 41 VAL HA H 1 4.005 0.030 . 1 . . . . A 41 VAL HA . 36345 1 464 . 1 . 1 41 41 VAL HB H 1 2.116 0.030 . 1 . . . . A 41 VAL HB . 36345 1 465 . 1 . 1 41 41 VAL HG11 H 1 1.043 0.030 . 2 . . . . A 41 VAL HG11 . 36345 1 466 . 1 . 1 41 41 VAL HG12 H 1 1.043 0.030 . 2 . . . . A 41 VAL HG12 . 36345 1 467 . 1 . 1 41 41 VAL HG13 H 1 1.043 0.030 . 2 . . . . A 41 VAL HG13 . 36345 1 468 . 1 . 1 41 41 VAL HG21 H 1 0.961 0.030 . 2 . . . . A 41 VAL HG21 . 36345 1 469 . 1 . 1 41 41 VAL HG22 H 1 0.961 0.030 . 2 . . . . A 41 VAL HG22 . 36345 1 470 . 1 . 1 41 41 VAL HG23 H 1 0.961 0.030 . 2 . . . . A 41 VAL HG23 . 36345 1 471 . 1 . 1 41 41 VAL C C 13 180.458 0.300 . 1 . . . . A 41 VAL C . 36345 1 472 . 1 . 1 41 41 VAL CA C 13 64.178 0.300 . 1 . . . . A 41 VAL CA . 36345 1 473 . 1 . 1 41 41 VAL CB C 13 32.691 0.300 . 1 . . . . A 41 VAL CB . 36345 1 474 . 1 . 1 41 41 VAL CG1 C 13 20.644 0.300 . 2 . . . . A 41 VAL CG1 . 36345 1 475 . 1 . 1 41 41 VAL CG2 C 13 21.185 0.300 . 2 . . . . A 41 VAL CG2 . 36345 1 476 . 1 . 1 41 41 VAL N N 15 118.129 0.300 . 1 . . . . A 41 VAL N . 36345 1 477 . 1 . 1 42 42 ASP H H 1 8.386 0.030 . 1 . . . . A 42 ASP H . 36345 1 478 . 1 . 1 42 42 ASP HA H 1 4.407 0.030 . 1 . . . . A 42 ASP HA . 36345 1 479 . 1 . 1 42 42 ASP HB2 H 1 3.228 0.030 . 2 . . . . A 42 ASP HB2 . 36345 1 480 . 1 . 1 42 42 ASP HB3 H 1 3.050 0.030 . 2 . . . . A 42 ASP HB3 . 36345 1 481 . 1 . 1 42 42 ASP CA C 13 55.054 0.300 . 1 . . . . A 42 ASP CA . 36345 1 482 . 1 . 1 42 42 ASP CB C 13 43.108 0.300 . 1 . . . . A 42 ASP CB . 36345 1 483 . 1 . 1 42 42 ASP N N 15 129.338 0.300 . 1 . . . . A 42 ASP N . 36345 1 stop_ save_