################################### # 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 31028 _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 TOCSY . . . 31028 1 2 '2D 1H-1H NOESY' . . . 31028 1 3 '2D DQF-COSY' . . . 31028 1 4 '2D 1H-13C HSQC' . . . 31028 1 5 HMBC . . . 31028 1 6 '3D 1H-13C TOCSY' . . . 31028 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 LYS HG2 H 1 1.334 0.020 . 1 . . . . A 1 LYS HG2 . 31028 1 2 . 1 . 1 1 1 LYS HG3 H 1 1.334 0.020 . 1 . . . . A 1 LYS HG3 . 31028 1 3 . 1 . 1 1 1 LYS HE3 H 1 2.830 0.020 . 1 . . . . A 1 LYS HE3 . 31028 1 4 . 1 . 1 1 1 LYS CA C 13 51.650 0.3 . 1 . . . . A 1 LYS CA . 31028 1 5 . 1 . 1 1 1 LYS CB C 13 29.270 0.3 . 1 . . . . A 1 LYS CB . 31028 1 6 . 1 . 1 1 1 LYS CG C 13 21.018 0.3 . 1 . . . . A 1 LYS CG . 31028 1 7 . 1 . 1 1 1 LYS CD C 13 26.130 0.3 . 1 . . . . A 1 LYS CD . 31028 1 8 . 1 . 1 1 1 LYS CE C 13 39.360 0.3 . 1 . . . . A 1 LYS CE . 31028 1 9 . 1 . 1 2 2 PRO HA H 1 4.248 0.020 . 1 . . . . A 2 PRO HA . 31028 1 10 . 1 . 1 2 2 PRO HB2 H 1 1.975 0.020 . 2 . . . . A 2 PRO HB2 . 31028 1 11 . 1 . 1 2 2 PRO HB3 H 1 1.302 0.020 . 2 . . . . A 2 PRO HB3 . 31028 1 12 . 1 . 1 2 2 PRO HG2 H 1 1.791 0.020 . 2 . . . . A 2 PRO HG2 . 31028 1 13 . 1 . 1 2 2 PRO HG3 H 1 1.715 0.020 . 2 . . . . A 2 PRO HG3 . 31028 1 14 . 1 . 1 2 2 PRO HD2 H 1 3.584 0.020 . 2 . . . . A 2 PRO HD2 . 31028 1 15 . 1 . 1 2 2 PRO HD3 H 1 3.337 0.020 . 2 . . . . A 2 PRO HD3 . 31028 1 16 . 1 . 1 2 2 PRO CA C 13 60.293 0.3 . 1 . . . . A 2 PRO CA . 31028 1 17 . 1 . 1 2 2 PRO CB C 13 29.142 0.3 . 1 . . . . A 2 PRO CB . 31028 1 18 . 1 . 1 2 2 PRO CG C 13 24.830 0.3 . 1 . . . . A 2 PRO CG . 31028 1 19 . 1 . 1 2 2 PRO CD C 13 47.733 0.3 . 1 . . . . A 2 PRO CD . 31028 1 20 . 1 . 1 3 3 ALA H H 1 8.212 0.020 . 1 . . . . A 3 ALA H . 31028 1 21 . 1 . 1 3 3 ALA HA H 1 4.204 0.020 . 1 . . . . A 3 ALA HA . 31028 1 22 . 1 . 1 3 3 ALA HB1 H 1 1.380 0.020 . 1 . . . . A 3 ALA HB1 . 31028 1 23 . 1 . 1 3 3 ALA HB2 H 1 1.380 0.020 . 1 . . . . A 3 ALA HB2 . 31028 1 24 . 1 . 1 3 3 ALA HB3 H 1 1.380 0.020 . 1 . . . . A 3 ALA HB3 . 31028 1 25 . 1 . 1 3 3 ALA CA C 13 50.797 0.3 . 1 . . . . A 3 ALA CA . 31028 1 26 . 1 . 1 3 3 ALA CB C 13 16.016 0.3 . 1 . . . . A 3 ALA CB . 31028 1 27 . 1 . 1 3 3 ALA N N 15 124.546 0.3 . 1 . . . . A 3 ALA N . 31028 1 28 . 1 . 1 4 4 TRP H H 1 7.611 0.020 . 1 . . . . A 4 TRP H . 31028 1 29 . 1 . 1 4 4 TRP HA H 1 4.430 0.020 . 1 . . . . A 4 TRP HA . 31028 1 30 . 1 . 1 4 4 TRP HB2 H 1 3.281 0.020 . 2 . . . . A 4 TRP HB2 . 31028 1 31 . 1 . 1 4 4 TRP HB3 H 1 3.180 0.020 . 2 . . . . A 4 TRP HB3 . 31028 1 32 . 1 . 1 4 4 TRP HD1 H 1 7.217 0.020 . 1 . . . . A 4 TRP HD1 . 31028 1 33 . 1 . 1 4 4 TRP HE1 H 1 10.006 0.020 . 1 . . . . A 4 TRP HE1 . 31028 1 34 . 1 . 1 4 4 TRP HE3 H 1 7.407 0.020 . 1 . . . . A 4 TRP HE3 . 31028 1 35 . 1 . 1 4 4 TRP HZ2 H 1 7.337 0.020 . 1 . . . . A 4 TRP HZ2 . 31028 1 36 . 1 . 1 4 4 TRP HZ3 H 1 6.940 0.020 . 1 . . . . A 4 TRP HZ3 . 31028 1 37 . 1 . 1 4 4 TRP HH2 H 1 7.014 0.020 . 1 . . . . A 4 TRP HH2 . 31028 1 38 . 1 . 1 4 4 TRP CA C 13 56.284 0.3 . 1 . . . . A 4 TRP CA . 31028 1 39 . 1 . 1 4 4 TRP CB C 13 26.298 0.3 . 1 . . . . A 4 TRP CB . 31028 1 40 . 1 . 1 4 4 TRP CD1 C 13 124.714 0.3 . 1 . . . . A 4 TRP CD1 . 31028 1 41 . 1 . 1 4 4 TRP CE3 C 13 118.022 0.3 . 1 . . . . A 4 TRP CE3 . 31028 1 42 . 1 . 1 4 4 TRP CZ2 C 13 111.812 0.3 . 1 . . . . A 4 TRP CZ2 . 31028 1 43 . 1 . 1 4 4 TRP CZ3 C 13 119.083 0.3 . 1 . . . . A 4 TRP CZ3 . 31028 1 44 . 1 . 1 4 4 TRP CH2 C 13 121.566 0.3 . 1 . . . . A 4 TRP CH2 . 31028 1 45 . 1 . 1 4 4 TRP N N 15 116.287 0.3 . 1 . . . . A 4 TRP N . 31028 1 46 . 1 . 1 4 4 TRP NE1 N 15 129.680 0.3 . 1 . . . . A 4 TRP NE1 . 31028 1 47 . 1 . 1 5 5 CYS H H 1 7.935 0.020 . 1 . . . . A 5 CYS H . 31028 1 48 . 1 . 1 5 5 CYS HA H 1 4.232 0.020 . 1 . . . . A 5 CYS HA . 31028 1 49 . 1 . 1 5 5 CYS HB2 H 1 2.675 0.020 . 2 . . . . A 5 CYS HB2 . 31028 1 50 . 1 . 1 5 5 CYS HB3 H 1 2.459 0.020 . 2 . . . . A 5 CYS HB3 . 31028 1 51 . 1 . 1 5 5 CYS CA C 13 55.191 0.3 . 1 . . . . A 5 CYS CA . 31028 1 52 . 1 . 1 5 5 CYS CB C 13 36.503 0.3 . 1 . . . . A 5 CYS CB . 31028 1 53 . 1 . 1 5 5 CYS N N 15 117.636 0.3 . 1 . . . . A 5 CYS N . 31028 1 54 . 1 . 1 6 6 TRP H H 1 7.536 0.020 . 1 . . . . A 6 TRP H . 31028 1 55 . 1 . 1 6 6 TRP HA H 1 4.385 0.020 . 1 . . . . A 6 TRP HA . 31028 1 56 . 1 . 1 6 6 TRP HB2 H 1 3.229 0.020 . 2 . . . . A 6 TRP HB2 . 31028 1 57 . 1 . 1 6 6 TRP HB3 H 1 3.126 0.020 . 2 . . . . A 6 TRP HB3 . 31028 1 58 . 1 . 1 6 6 TRP HD1 H 1 7.034 0.020 . 1 . . . . A 6 TRP HD1 . 31028 1 59 . 1 . 1 6 6 TRP HE1 H 1 9.867 0.020 . 1 . . . . A 6 TRP HE1 . 31028 1 60 . 1 . 1 6 6 TRP HE3 H 1 7.399 0.020 . 1 . . . . A 6 TRP HE3 . 31028 1 61 . 1 . 1 6 6 TRP HZ2 H 1 7.372 0.020 . 1 . . . . A 6 TRP HZ2 . 31028 1 62 . 1 . 1 6 6 TRP HZ3 H 1 6.961 0.020 . 1 . . . . A 6 TRP HZ3 . 31028 1 63 . 1 . 1 6 6 TRP HH2 H 1 7.115 0.020 . 1 . . . . A 6 TRP HH2 . 31028 1 64 . 1 . 1 6 6 TRP CA C 13 57.014 0.3 . 1 . . . . A 6 TRP CA . 31028 1 65 . 1 . 1 6 6 TRP CB C 13 26.653 0.3 . 1 . . . . A 6 TRP CB . 31028 1 66 . 1 . 1 6 6 TRP CD1 C 13 124.354 0.3 . 1 . . . . A 6 TRP CD1 . 31028 1 67 . 1 . 1 6 6 TRP CE3 C 13 118.011 0.3 . 1 . . . . A 6 TRP CE3 . 31028 1 68 . 1 . 1 6 6 TRP CZ2 C 13 111.730 0.3 . 1 . . . . A 6 TRP CZ2 . 31028 1 69 . 1 . 1 6 6 TRP CZ3 C 13 119.190 0.3 . 1 . . . . A 6 TRP CZ3 . 31028 1 70 . 1 . 1 6 6 TRP CH2 C 13 121.675 0.3 . 1 . . . . A 6 TRP CH2 . 31028 1 71 . 1 . 1 6 6 TRP N N 15 120.114 0.3 . 1 . . . . A 6 TRP N . 31028 1 72 . 1 . 1 6 6 TRP NE1 N 15 128.354 0.3 . 1 . . . . A 6 TRP NE1 . 31028 1 73 . 1 . 1 7 7 TYR H H 1 7.732 0.020 . 1 . . . . A 7 TYR H . 31028 1 74 . 1 . 1 7 7 TYR HA H 1 4.267 0.020 . 1 . . . . A 7 TYR HA . 31028 1 75 . 1 . 1 7 7 TYR HB2 H 1 3.042 0.020 . 2 . . . . A 7 TYR HB2 . 31028 1 76 . 1 . 1 7 7 TYR HB3 H 1 2.916 0.020 . 2 . . . . A 7 TYR HB3 . 31028 1 77 . 1 . 1 7 7 TYR HD1 H 1 7.075 0.020 . 3 . . . . A 7 TYR HD1 . 31028 1 78 . 1 . 1 7 7 TYR HD2 H 1 7.025 0.020 . 3 . . . . A 7 TYR HD2 . 31028 1 79 . 1 . 1 7 7 TYR HE1 H 1 6.742 0.020 . 1 . . . . A 7 TYR HE1 . 31028 1 80 . 1 . 1 7 7 TYR CA C 13 57.576 0.3 . 1 . . . . A 7 TYR CA . 31028 1 81 . 1 . 1 7 7 TYR CB C 13 35.917 0.3 . 1 . . . . A 7 TYR CB . 31028 1 82 . 1 . 1 7 7 TYR CD1 C 13 130.292 0.3 . 1 . . . . A 7 TYR CD1 . 31028 1 83 . 1 . 1 7 7 TYR CE1 C 13 115.478 0.3 . 1 . . . . A 7 TYR CE1 . 31028 1 84 . 1 . 1 7 7 TYR N N 15 117.656 0.3 . 1 . . . . A 7 TYR N . 31028 1 85 . 1 . 1 8 8 THR H H 1 7.825 0.020 . 1 . . . . A 8 THR H . 31028 1 86 . 1 . 1 8 8 THR HA H 1 3.826 0.020 . 1 . . . . A 8 THR HA . 31028 1 87 . 1 . 1 8 8 THR HB H 1 4.085 0.020 . 1 . . . . A 8 THR HB . 31028 1 88 . 1 . 1 8 8 THR HG21 H 1 1.116 0.020 . 1 . . . . A 8 THR HG21 . 31028 1 89 . 1 . 1 8 8 THR HG22 H 1 1.116 0.020 . 1 . . . . A 8 THR HG22 . 31028 1 90 . 1 . 1 8 8 THR HG23 H 1 1.116 0.020 . 1 . . . . A 8 THR HG23 . 31028 1 91 . 1 . 1 8 8 THR CA C 13 63.259 0.3 . 1 . . . . A 8 THR CA . 31028 1 92 . 1 . 1 8 8 THR CB C 13 66.034 0.3 . 1 . . . . A 8 THR CB . 31028 1 93 . 1 . 1 8 8 THR CG2 C 13 19.581 0.3 . 1 . . . . A 8 THR CG2 . 31028 1 94 . 1 . 1 8 8 THR N N 15 113.774 0.3 . 1 . . . . A 8 THR N . 31028 1 95 . 1 . 1 9 9 LEU H H 1 7.740 0.020 . 1 . . . . A 9 LEU H . 31028 1 96 . 1 . 1 9 9 LEU HA H 1 3.949 0.020 . 1 . . . . A 9 LEU HA . 31028 1 97 . 1 . 1 9 9 LEU HB2 H 1 1.698 0.020 . 2 . . . . A 9 LEU HB2 . 31028 1 98 . 1 . 1 9 9 LEU HB3 H 1 1.645 0.020 . 2 . . . . A 9 LEU HB3 . 31028 1 99 . 1 . 1 9 9 LEU HG H 1 1.592 0.020 . 1 . . . . A 9 LEU HG . 31028 1 100 . 1 . 1 9 9 LEU HD11 H 1 0.791 0.020 . 1 . . . . A 9 LEU HD11 . 31028 1 101 . 1 . 1 9 9 LEU HD12 H 1 0.791 0.020 . 1 . . . . A 9 LEU HD12 . 31028 1 102 . 1 . 1 9 9 LEU HD13 H 1 0.791 0.020 . 1 . . . . A 9 LEU HD13 . 31028 1 103 . 1 . 1 9 9 LEU HD21 H 1 0.767 0.020 . 1 . . . . A 9 LEU HD21 . 31028 1 104 . 1 . 1 9 9 LEU HD22 H 1 0.767 0.020 . 1 . . . . A 9 LEU HD22 . 31028 1 105 . 1 . 1 9 9 LEU HD23 H 1 0.767 0.020 . 1 . . . . A 9 LEU HD23 . 31028 1 106 . 1 . 1 9 9 LEU CA C 13 55.527 0.3 . 1 . . . . A 9 LEU CA . 31028 1 107 . 1 . 1 9 9 LEU CB C 13 38.780 0.3 . 1 . . . . A 9 LEU CB . 31028 1 108 . 1 . 1 9 9 LEU CG C 13 24.375 0.3 . 1 . . . . A 9 LEU CG . 31028 1 109 . 1 . 1 9 9 LEU CD1 C 13 21.782 0.3 . 1 . . . . A 9 LEU CD1 . 31028 1 110 . 1 . 1 9 9 LEU N N 15 121.689 0.3 . 1 . . . . A 9 LEU N . 31028 1 111 . 1 . 1 10 10 ALA H H 1 7.595 0.020 . 1 . . . . A 10 ALA H . 31028 1 112 . 1 . 1 10 10 ALA HA H 1 4.013 0.020 . 1 . . . . A 10 ALA HA . 31028 1 113 . 1 . 1 10 10 ALA HB1 H 1 1.300 0.020 . 1 . . . . A 10 ALA HB1 . 31028 1 114 . 1 . 1 10 10 ALA HB2 H 1 1.300 0.020 . 1 . . . . A 10 ALA HB2 . 31028 1 115 . 1 . 1 10 10 ALA HB3 H 1 1.300 0.020 . 1 . . . . A 10 ALA HB3 . 31028 1 116 . 1 . 1 10 10 ALA CA C 13 51.832 0.3 . 1 . . . . A 10 ALA CA . 31028 1 117 . 1 . 1 10 10 ALA CB C 13 15.590 0.3 . 1 . . . . A 10 ALA CB . 31028 1 118 . 1 . 1 10 10 ALA N N 15 120.318 0.3 . 1 . . . . A 10 ALA N . 31028 1 119 . 1 . 1 11 11 MET H H 1 7.785 0.020 . 1 . . . . A 11 MET H . 31028 1 120 . 1 . 1 11 11 MET HA H 1 4.247 0.020 . 1 . . . . A 11 MET HA . 31028 1 121 . 1 . 1 11 11 MET HB2 H 1 1.958 0.020 . 2 . . . . A 11 MET HB2 . 31028 1 122 . 1 . 1 11 11 MET HB3 H 1 1.910 0.020 . 2 . . . . A 11 MET HB3 . 31028 1 123 . 1 . 1 11 11 MET HG2 H 1 2.440 0.020 . 2 . . . . A 11 MET HG2 . 31028 1 124 . 1 . 1 11 11 MET HG3 H 1 2.335 0.020 . 2 . . . . A 11 MET HG3 . 31028 1 125 . 1 . 1 11 11 MET HE1 H 1 1.971 0.020 . 1 . . . . A 11 MET HE1 . 31028 1 126 . 1 . 1 11 11 MET HE2 H 1 1.971 0.020 . 1 . . . . A 11 MET HE2 . 31028 1 127 . 1 . 1 11 11 MET HE3 H 1 1.971 0.020 . 1 . . . . A 11 MET HE3 . 31028 1 128 . 1 . 1 11 11 MET CA C 13 54.307 0.3 . 1 . . . . A 11 MET CA . 31028 1 129 . 1 . 1 11 11 MET CB C 13 30.148 0.3 . 1 . . . . A 11 MET CB . 31028 1 130 . 1 . 1 11 11 MET CG C 13 29.563 0.3 . 1 . . . . A 11 MET CG . 31028 1 131 . 1 . 1 11 11 MET CE C 13 0.507 0.3 . 1 . . . . A 11 MET CE . 31028 1 132 . 1 . 1 11 11 MET N N 15 114.918 0.3 . 1 . . . . A 11 MET N . 31028 1 133 . 1 . 1 12 12 CYS H H 1 8.137 0.020 . 1 . . . . A 12 CYS H . 31028 1 134 . 1 . 1 12 12 CYS HA H 1 4.536 0.020 . 1 . . . . A 12 CYS HA . 31028 1 135 . 1 . 1 12 12 CYS HB2 H 1 3.094 0.020 . 2 . . . . A 12 CYS HB2 . 31028 1 136 . 1 . 1 12 12 CYS HB3 H 1 2.974 0.020 . 2 . . . . A 12 CYS HB3 . 31028 1 137 . 1 . 1 12 12 CYS CA C 13 55.531 0.3 . 1 . . . . A 12 CYS CA . 31028 1 138 . 1 . 1 12 12 CYS CB C 13 38.231 0.3 . 1 . . . . A 12 CYS CB . 31028 1 139 . 1 . 1 12 12 CYS N N 15 117.249 0.3 . 1 . . . . A 12 CYS N . 31028 1 140 . 1 . 1 13 13 GLY H H 1 8.091 0.020 . 1 . . . . A 13 GLY H . 31028 1 141 . 1 . 1 13 13 GLY HA2 H 1 3.877 0.020 . 2 . . . . A 13 GLY HA2 . 31028 1 142 . 1 . 1 13 13 GLY HA3 H 1 3.816 0.020 . 2 . . . . A 13 GLY HA3 . 31028 1 143 . 1 . 1 13 13 GLY CA C 13 43.443 0.3 . 1 . . . . A 13 GLY CA . 31028 1 144 . 1 . 1 13 13 GLY N N 15 108.555 0.3 . 1 . . . . A 13 GLY N . 31028 1 145 . 1 . 1 14 14 ALA H H 1 7.632 0.020 . 1 . . . . A 14 ALA H . 31028 1 146 . 1 . 1 14 14 ALA HA H 1 4.308 0.020 . 1 . . . . A 14 ALA HA . 31028 1 147 . 1 . 1 14 14 ALA HB1 H 1 1.357 0.020 . 1 . . . . A 14 ALA HB1 . 31028 1 148 . 1 . 1 14 14 ALA HB2 H 1 1.357 0.020 . 1 . . . . A 14 ALA HB2 . 31028 1 149 . 1 . 1 14 14 ALA HB3 H 1 1.357 0.020 . 1 . . . . A 14 ALA HB3 . 31028 1 150 . 1 . 1 14 14 ALA CA C 13 49.554 0.3 . 1 . . . . A 14 ALA CA . 31028 1 151 . 1 . 1 14 14 ALA CB C 13 16.417 0.3 . 1 . . . . A 14 ALA CB . 31028 1 152 . 1 . 1 14 14 ALA N N 15 121.244 0.3 . 1 . . . . A 14 ALA N . 31028 1 153 . 1 . 1 15 15 GLY H H 1 7.704 0.020 . 1 . . . . A 15 GLY H . 31028 1 154 . 1 . 1 15 15 GLY HA2 H 1 3.931 0.020 . 2 . . . . A 15 GLY HA2 . 31028 1 155 . 1 . 1 15 15 GLY HA3 H 1 3.681 0.020 . 2 . . . . A 15 GLY HA3 . 31028 1 156 . 1 . 1 15 15 GLY CA C 13 42.837 0.3 . 1 . . . . A 15 GLY CA . 31028 1 157 . 1 . 1 15 15 GLY N N 15 104.796 0.3 . 1 . . . . A 15 GLY N . 31028 1 158 . 1 . 1 16 16 TYR H H 1 7.574 0.020 . 1 . . . . A 16 TYR H . 31028 1 159 . 1 . 1 16 16 TYR HA H 1 4.454 0.020 . 1 . . . . A 16 TYR HA . 31028 1 160 . 1 . 1 16 16 TYR HB2 H 1 2.949 0.020 . 2 . . . . A 16 TYR HB2 . 31028 1 161 . 1 . 1 16 16 TYR HB3 H 1 2.856 0.020 . 2 . . . . A 16 TYR HB3 . 31028 1 162 . 1 . 1 16 16 TYR HD1 H 1 6.998 0.020 . 1 . . . . A 16 TYR HD1 . 31028 1 163 . 1 . 1 16 16 TYR HE1 H 1 6.714 0.020 . 1 . . . . A 16 TYR HE1 . 31028 1 164 . 1 . 1 16 16 TYR CA C 13 55.264 0.3 . 1 . . . . A 16 TYR CA . 31028 1 165 . 1 . 1 16 16 TYR CB C 13 36.133 0.3 . 1 . . . . A 16 TYR CB . 31028 1 166 . 1 . 1 16 16 TYR CD1 C 13 130.428 0.3 . 1 . . . . A 16 TYR CD1 . 31028 1 167 . 1 . 1 16 16 TYR CE1 C 13 115.445 0.3 . 1 . . . . A 16 TYR CE1 . 31028 1 168 . 1 . 1 16 16 TYR N N 15 118.288 0.3 . 1 . . . . A 16 TYR N . 31028 1 169 . 1 . 1 17 17 ASP H H 1 8.119 0.020 . 1 . . . . A 17 ASP H . 31028 1 170 . 1 . 1 17 17 ASP HA H 1 4.496 0.020 . 1 . . . . A 17 ASP HA . 31028 1 171 . 1 . 1 17 17 ASP HB2 H 1 2.945 0.020 . 2 . . . . A 17 ASP HB2 . 31028 1 172 . 1 . 1 17 17 ASP HB3 H 1 2.671 0.020 . 2 . . . . A 17 ASP HB3 . 31028 1 173 . 1 . 1 17 17 ASP CA C 13 50.518 0.3 . 1 . . . . A 17 ASP CA . 31028 1 174 . 1 . 1 17 17 ASP CB C 13 34.872 0.3 . 1 . . . . A 17 ASP CB . 31028 1 175 . 1 . 1 17 17 ASP N N 15 117.908 0.3 . 1 . . . . A 17 ASP N . 31028 1 176 . 1 . 1 18 18 EW6 H H 1 8.106 0.020 . 1 . . . . A 18 EW6 H . 31028 1 177 . 1 . 1 18 18 EW6 N N 15 127.060 0.3 . 1 . . . . A 18 EW6 N . 31028 1 178 . 1 . 1 18 18 EW6 CA C 13 55.567 0.3 . 1 . . . . A 18 EW6 CA . 31028 1 179 . 1 . 1 18 18 EW6 CB C 13 71.140 0.3 . 1 . . . . A 18 EW6 CB . 31028 1 180 . 1 . 1 18 18 EW6 HB2 H 1 3.913 0.020 . 2 . . . . A 18 EW6 HB2 . 31028 1 181 . 1 . 1 18 18 EW6 HB3 H 1 3.626 0.020 . 2 . . . . A 18 EW6 HB3 . 31028 1 182 . 1 . 1 19 19 GLY H H 1 8.044 0.020 . 1 . . . . A 19 GLY H . 31028 1 183 . 1 . 1 19 19 GLY HA2 H 1 3.901 0.020 . 2 . . . . A 19 GLY HA2 . 31028 1 184 . 1 . 1 19 19 GLY HA3 H 1 3.775 0.020 . 2 . . . . A 19 GLY HA3 . 31028 1 185 . 1 . 1 19 19 GLY CA C 13 44.695 0.3 . 1 . . . . A 19 GLY CA . 31028 1 186 . 1 . 1 19 19 GLY N N 15 107.214 0.3 . 1 . . . . A 19 GLY N . 31028 1 187 . 1 . 1 20 20 THR H H 1 7.862 0.020 . 1 . . . . A 20 THR H . 31028 1 188 . 1 . 1 20 20 THR HA H 1 4.081 0.020 . 1 . . . . A 20 THR HA . 31028 1 189 . 1 . 1 20 20 THR HB H 1 4.097 0.020 . 1 . . . . A 20 THR HB . 31028 1 190 . 1 . 1 20 20 THR HG21 H 1 1.183 0.020 . 1 . . . . A 20 THR HG21 . 31028 1 191 . 1 . 1 20 20 THR HG22 H 1 1.183 0.020 . 1 . . . . A 20 THR HG22 . 31028 1 192 . 1 . 1 20 20 THR HG23 H 1 1.183 0.020 . 1 . . . . A 20 THR HG23 . 31028 1 193 . 1 . 1 20 20 THR CA C 13 62.859 0.3 . 1 . . . . A 20 THR CA . 31028 1 194 . 1 . 1 20 20 THR CB C 13 66.086 0.3 . 1 . . . . A 20 THR CB . 31028 1 195 . 1 . 1 20 20 THR CG2 C 13 19.693 0.3 . 1 . . . . A 20 THR CG2 . 31028 1 196 . 1 . 1 20 20 THR N N 15 117.032 0.3 . 1 . . . . A 20 THR N . 31028 1 197 . 1 . 1 21 21 CYS H H 1 8.046 0.020 . 1 . . . . A 21 CYS H . 31028 1 198 . 1 . 1 21 21 CYS HA H 1 4.248 0.020 . 1 . . . . A 21 CYS HA . 31028 1 199 . 1 . 1 21 21 CYS HB2 H 1 3.113 0.020 . 2 . . . . A 21 CYS HB2 . 31028 1 200 . 1 . 1 21 21 CYS HB3 H 1 2.962 0.020 . 2 . . . . A 21 CYS HB3 . 31028 1 201 . 1 . 1 21 21 CYS CA C 13 56.965 0.3 . 1 . . . . A 21 CYS CA . 31028 1 202 . 1 . 1 21 21 CYS CB C 13 38.055 0.3 . 1 . . . . A 21 CYS CB . 31028 1 203 . 1 . 1 21 21 CYS N N 15 119.678 0.3 . 1 . . . . A 21 CYS N . 31028 1 204 . 1 . 1 22 22 ASP H H 1 8.566 0.020 . 1 . . . . A 22 ASP H . 31028 1 205 . 1 . 1 22 22 ASP HA H 1 4.464 0.020 . 1 . . . . A 22 ASP HA . 31028 1 206 . 1 . 1 22 22 ASP HB2 H 1 2.973 0.020 . 2 . . . . A 22 ASP HB2 . 31028 1 207 . 1 . 1 22 22 ASP HB3 H 1 2.862 0.020 . 2 . . . . A 22 ASP HB3 . 31028 1 208 . 1 . 1 22 22 ASP CA C 13 53.920 0.3 . 1 . . . . A 22 ASP CA . 31028 1 209 . 1 . 1 22 22 ASP CB C 13 34.891 0.3 . 1 . . . . A 22 ASP CB . 31028 1 210 . 1 . 1 22 22 ASP N N 15 118.937 0.3 . 1 . . . . A 22 ASP N . 31028 1 211 . 1 . 1 23 23 TYR H H 1 8.098 0.020 . 1 . . . . A 23 TYR H . 31028 1 212 . 1 . 1 23 23 TYR HA H 1 4.185 0.020 . 1 . . . . A 23 TYR HA . 31028 1 213 . 1 . 1 23 23 TYR HB2 H 1 3.174 0.020 . 2 . . . . A 23 TYR HB2 . 31028 1 214 . 1 . 1 23 23 TYR HB3 H 1 3.107 0.020 . 2 . . . . A 23 TYR HB3 . 31028 1 215 . 1 . 1 23 23 TYR HD1 H 1 6.985 0.020 . 3 . . . . A 23 TYR HD1 . 31028 1 216 . 1 . 1 23 23 TYR HD2 H 1 6.963 0.020 . 3 . . . . A 23 TYR HD2 . 31028 1 217 . 1 . 1 23 23 TYR HE1 H 1 6.570 0.020 . 1 . . . . A 23 TYR HE1 . 31028 1 218 . 1 . 1 23 23 TYR CA C 13 59.002 0.3 . 1 . . . . A 23 TYR CA . 31028 1 219 . 1 . 1 23 23 TYR CB C 13 35.688 0.3 . 1 . . . . A 23 TYR CB . 31028 1 220 . 1 . 1 23 23 TYR CD1 C 13 130.310 0.3 . 1 . . . . A 23 TYR CD1 . 31028 1 221 . 1 . 1 23 23 TYR CE1 C 13 115.315 0.3 . 1 . . . . A 23 TYR CE1 . 31028 1 222 . 1 . 1 23 23 TYR N N 15 121.690 0.3 . 1 . . . . A 23 TYR N . 31028 1 223 . 1 . 1 24 24 MET H H 1 8.392 0.020 . 1 . . . . A 24 MET H . 31028 1 224 . 1 . 1 24 24 MET HA H 1 4.112 0.020 . 1 . . . . A 24 MET HA . 31028 1 225 . 1 . 1 24 24 MET HB2 H 1 2.247 0.020 . 2 . . . . A 24 MET HB2 . 31028 1 226 . 1 . 1 24 24 MET HB3 H 1 2.178 0.020 . 2 . . . . A 24 MET HB3 . 31028 1 227 . 1 . 1 24 24 MET HG2 H 1 2.677 0.020 . 2 . . . . A 24 MET HG2 . 31028 1 228 . 1 . 1 24 24 MET HG3 H 1 2.549 0.020 . 2 . . . . A 24 MET HG3 . 31028 1 229 . 1 . 1 24 24 MET HE1 H 1 1.816 0.020 . 1 . . . . A 24 MET HE1 . 31028 1 230 . 1 . 1 24 24 MET HE2 H 1 1.816 0.020 . 1 . . . . A 24 MET HE2 . 31028 1 231 . 1 . 1 24 24 MET HE3 H 1 1.816 0.020 . 1 . . . . A 24 MET HE3 . 31028 1 232 . 1 . 1 24 24 MET CA C 13 56.336 0.3 . 1 . . . . A 24 MET CA . 31028 1 233 . 1 . 1 24 24 MET CB C 13 29.014 0.3 . 1 . . . . A 24 MET CB . 31028 1 234 . 1 . 1 24 24 MET CG C 13 29.491 0.3 . 1 . . . . A 24 MET CG . 31028 1 235 . 1 . 1 24 24 MET CE C 13 14.459 0.3 . 1 . . . . A 24 MET CE . 31028 1 236 . 1 . 1 24 24 MET N N 15 120.159 0.3 . 1 . . . . A 24 MET N . 31028 1 237 . 1 . 1 25 25 TYR H H 1 8.871 0.020 . 1 . . . . A 25 TYR H . 31028 1 238 . 1 . 1 25 25 TYR HA H 1 4.152 0.020 . 1 . . . . A 25 TYR HA . 31028 1 239 . 1 . 1 25 25 TYR HB2 H 1 3.109 0.020 . 2 . . . . A 25 TYR HB2 . 31028 1 240 . 1 . 1 25 25 TYR HB3 H 1 3.048 0.020 . 2 . . . . A 25 TYR HB3 . 31028 1 241 . 1 . 1 25 25 TYR HD1 H 1 6.974 0.020 . 3 . . . . A 25 TYR HD1 . 31028 1 242 . 1 . 1 25 25 TYR HD2 H 1 6.966 0.020 . 3 . . . . A 25 TYR HD2 . 31028 1 243 . 1 . 1 25 25 TYR HE1 H 1 6.496 0.020 . 1 . . . . A 25 TYR HE1 . 31028 1 244 . 1 . 1 25 25 TYR CA C 13 59.497 0.3 . 1 . . . . A 25 TYR CA . 31028 1 245 . 1 . 1 25 25 TYR CB C 13 35.622 0.3 . 1 . . . . A 25 TYR CB . 31028 1 246 . 1 . 1 25 25 TYR CD1 C 13 130.426 0.3 . 1 . . . . A 25 TYR CD1 . 31028 1 247 . 1 . 1 25 25 TYR CE1 C 13 115.170 0.3 . 1 . . . . A 25 TYR CE1 . 31028 1 248 . 1 . 1 25 25 TYR N N 15 119.978 0.3 . 1 . . . . A 25 TYR N . 31028 1 249 . 1 . 1 26 26 SER H H 1 7.981 0.020 . 1 . . . . A 26 SER H . 31028 1 250 . 1 . 1 26 26 SER HA H 1 4.120 0.020 . 1 . . . . A 26 SER HA . 31028 1 251 . 1 . 1 26 26 SER HB2 H 1 3.801 0.020 . 1 . . . . A 26 SER HB2 . 31028 1 252 . 1 . 1 26 26 SER HB3 H 1 3.801 0.020 . 1 . . . . A 26 SER HB3 . 31028 1 253 . 1 . 1 26 26 SER CA C 13 58.249 0.3 . 1 . . . . A 26 SER CA . 31028 1 254 . 1 . 1 26 26 SER CB C 13 60.635 0.3 . 1 . . . . A 26 SER CB . 31028 1 255 . 1 . 1 26 26 SER N N 15 112.443 0.3 . 1 . . . . A 26 SER N . 31028 1 256 . 1 . 1 27 27 HIS H H 1 7.832 0.020 . 1 . . . . A 27 HIS H . 31028 1 257 . 1 . 1 27 27 HIS HA H 1 4.277 0.020 . 1 . . . . A 27 HIS HA . 31028 1 258 . 1 . 1 27 27 HIS HB2 H 1 3.080 0.020 . 2 . . . . A 27 HIS HB2 . 31028 1 259 . 1 . 1 27 27 HIS HB3 H 1 2.706 0.020 . 2 . . . . A 27 HIS HB3 . 31028 1 260 . 1 . 1 27 27 HIS HD2 H 1 6.962 0.020 . 1 . . . . A 27 HIS HD2 . 31028 1 261 . 1 . 1 27 27 HIS HE1 H 1 8.194 0.020 . 1 . . . . A 27 HIS HE1 . 31028 1 262 . 1 . 1 27 27 HIS CA C 13 55.604 0.3 . 1 . . . . A 27 HIS CA . 31028 1 263 . 1 . 1 27 27 HIS CB C 13 25.678 0.3 . 1 . . . . A 27 HIS CB . 31028 1 264 . 1 . 1 27 27 HIS CD2 C 13 116.965 0.3 . 1 . . . . A 27 HIS CD2 . 31028 1 265 . 1 . 1 27 27 HIS CE1 C 13 133.511 0.3 . 1 . . . . A 27 HIS CE1 . 31028 1 266 . 1 . 1 27 27 HIS N N 15 116.390 0.3 . 1 . . . . A 27 HIS N . 31028 1 267 . 1 . 1 28 28 CYS H H 1 8.104 0.020 . 1 . . . . A 28 CYS H . 31028 1 268 . 1 . 1 28 28 CYS HA H 1 4.269 0.020 . 1 . . . . A 28 CYS HA . 31028 1 269 . 1 . 1 28 28 CYS HB2 H 1 2.749 0.020 . 2 . . . . A 28 CYS HB2 . 31028 1 270 . 1 . 1 28 28 CYS HB3 H 1 1.947 0.020 . 2 . . . . A 28 CYS HB3 . 31028 1 271 . 1 . 1 28 28 CYS CA C 13 55.370 0.3 . 1 . . . . A 28 CYS CA . 31028 1 272 . 1 . 1 28 28 CYS CB C 13 39.569 0.3 . 1 . . . . A 28 CYS CB . 31028 1 273 . 1 . 1 28 28 CYS N N 15 115.707 0.3 . 1 . . . . A 28 CYS N . 31028 1 274 . 1 . 1 29 29 PHE H H 1 7.652 0.020 . 1 . . . . A 29 PHE H . 31028 1 275 . 1 . 1 29 29 PHE HA H 1 4.598 0.020 . 1 . . . . A 29 PHE HA . 31028 1 276 . 1 . 1 29 29 PHE HB2 H 1 3.145 0.020 . 2 . . . . A 29 PHE HB2 . 31028 1 277 . 1 . 1 29 29 PHE HB3 H 1 2.559 0.020 . 2 . . . . A 29 PHE HB3 . 31028 1 278 . 1 . 1 29 29 PHE HD1 H 1 6.999 0.020 . 3 . . . . A 29 PHE HD1 . 31028 1 279 . 1 . 1 29 29 PHE HD2 H 1 6.986 0.020 . 3 . . . . A 29 PHE HD2 . 31028 1 280 . 1 . 1 29 29 PHE HE1 H 1 7.034 0.020 . 3 . . . . A 29 PHE HE1 . 31028 1 281 . 1 . 1 29 29 PHE HE2 H 1 6.997 0.020 . 3 . . . . A 29 PHE HE2 . 31028 1 282 . 1 . 1 29 29 PHE HZ H 1 6.770 0.020 . 1 . . . . A 29 PHE HZ . 31028 1 283 . 1 . 1 29 29 PHE CA C 13 55.052 0.3 . 1 . . . . A 29 PHE CA . 31028 1 284 . 1 . 1 29 29 PHE CB C 13 37.714 0.3 . 1 . . . . A 29 PHE CB . 31028 1 285 . 1 . 1 29 29 PHE CD1 C 13 129.461 0.3 . 1 . . . . A 29 PHE CD1 . 31028 1 286 . 1 . 1 29 29 PHE CE1 C 13 128.377 0.3 . 1 . . . . A 29 PHE CE1 . 31028 1 287 . 1 . 1 29 29 PHE CZ C 13 126.635 0.3 . 1 . . . . A 29 PHE CZ . 31028 1 288 . 1 . 1 29 29 PHE N N 15 116.028 0.3 . 1 . . . . A 29 PHE N . 31028 1 289 . 1 . 1 30 30 GLY H H 1 7.627 0.020 . 1 . . . . A 30 GLY H . 31028 1 290 . 1 . 1 30 30 GLY HA2 H 1 3.862 0.020 . 1 . . . . A 30 GLY HA2 . 31028 1 291 . 1 . 1 30 30 GLY CA C 13 43.102 0.3 . 1 . . . . A 30 GLY CA . 31028 1 292 . 1 . 1 30 30 GLY N N 15 107.954 0.3 . 1 . . . . A 30 GLY N . 31028 1 293 . 1 . 1 31 31 ILE H H 1 7.603 0.020 . 1 . . . . A 31 ILE H . 31028 1 294 . 1 . 1 31 31 ILE HA H 1 4.057 0.020 . 1 . . . . A 31 ILE HA . 31028 1 295 . 1 . 1 31 31 ILE HB H 1 1.704 0.020 . 1 . . . . A 31 ILE HB . 31028 1 296 . 1 . 1 31 31 ILE HG12 H 1 1.360 0.020 . 2 . . . . A 31 ILE HG12 . 31028 1 297 . 1 . 1 31 31 ILE HG13 H 1 1.044 0.020 . 2 . . . . A 31 ILE HG13 . 31028 1 298 . 1 . 1 31 31 ILE HG21 H 1 0.733 0.020 . 1 . . . . A 31 ILE HG21 . 31028 1 299 . 1 . 1 31 31 ILE HG22 H 1 0.733 0.020 . 1 . . . . A 31 ILE HG22 . 31028 1 300 . 1 . 1 31 31 ILE HG23 H 1 0.733 0.020 . 1 . . . . A 31 ILE HG23 . 31028 1 301 . 1 . 1 31 31 ILE HD11 H 1 0.754 0.020 . 1 . . . . A 31 ILE HD11 . 31028 1 302 . 1 . 1 31 31 ILE HD12 H 1 0.754 0.020 . 1 . . . . A 31 ILE HD12 . 31028 1 303 . 1 . 1 31 31 ILE HD13 H 1 0.754 0.020 . 1 . . . . A 31 ILE HD13 . 31028 1 304 . 1 . 1 31 31 ILE CA C 13 58.173 0.3 . 1 . . . . A 31 ILE CA . 31028 1 305 . 1 . 1 31 31 ILE CB C 13 36.282 0.3 . 1 . . . . A 31 ILE CB . 31028 1 306 . 1 . 1 31 31 ILE CG1 C 13 24.557 0.3 . 1 . . . . A 31 ILE CG1 . 31028 1 307 . 1 . 1 31 31 ILE CG2 C 13 14.636 0.3 . 1 . . . . A 31 ILE CG2 . 31028 1 308 . 1 . 1 31 31 ILE CD1 C 13 10.279 0.3 . 1 . . . . A 31 ILE CD1 . 31028 1 309 . 1 . 1 31 31 ILE N N 15 118.552 0.3 . 1 . . . . A 31 ILE N . 31028 1 310 . 1 . 1 32 32 LYS H H 1 7.978 0.020 . 1 . . . . A 32 LYS H . 31028 1 311 . 1 . 1 32 32 LYS HA H 1 4.196 0.020 . 1 . . . . A 32 LYS HA . 31028 1 312 . 1 . 1 32 32 LYS HB2 H 1 1.615 0.020 . 2 . . . . A 32 LYS HB2 . 31028 1 313 . 1 . 1 32 32 LYS HB3 H 1 1.567 0.020 . 2 . . . . A 32 LYS HB3 . 31028 1 314 . 1 . 1 32 32 LYS HG2 H 1 1.275 0.020 . 2 . . . . A 32 LYS HG2 . 31028 1 315 . 1 . 1 32 32 LYS HG3 H 1 1.236 0.020 . 2 . . . . A 32 LYS HG3 . 31028 1 316 . 1 . 1 32 32 LYS HD2 H 1 1.523 0.020 . 1 . . . . A 32 LYS HD2 . 31028 1 317 . 1 . 1 32 32 LYS HD3 H 1 1.523 0.020 . 1 . . . . A 32 LYS HD3 . 31028 1 318 . 1 . 1 32 32 LYS HE2 H 1 2.835 0.020 . 1 . . . . A 32 LYS HE2 . 31028 1 319 . 1 . 1 32 32 LYS HE3 H 1 2.835 0.020 . 1 . . . . A 32 LYS HE3 . 31028 1 320 . 1 . 1 32 32 LYS CA C 13 53.219 0.3 . 1 . . . . A 32 LYS CA . 31028 1 321 . 1 . 1 32 32 LYS CB C 13 30.445 0.3 . 1 . . . . A 32 LYS CB . 31028 1 322 . 1 . 1 32 32 LYS CG C 13 22.087 0.3 . 1 . . . . A 32 LYS CG . 31028 1 323 . 1 . 1 32 32 LYS CD C 13 26.244 0.3 . 1 . . . . A 32 LYS CD . 31028 1 324 . 1 . 1 32 32 LYS CE C 13 39.397 0.3 . 1 . . . . A 32 LYS CE . 31028 1 325 . 1 . 1 32 32 LYS N N 15 124.045 0.3 . 1 . . . . A 32 LYS N . 31028 1 326 . 1 . 1 33 33 HIS H H 1 8.129 0.020 . 1 . . . . A 33 HIS H . 31028 1 327 . 1 . 1 33 33 HIS HA H 1 4.537 0.020 . 1 . . . . A 33 HIS HA . 31028 1 328 . 1 . 1 33 33 HIS HB2 H 1 3.085 0.020 . 2 . . . . A 33 HIS HB2 . 31028 1 329 . 1 . 1 33 33 HIS HB3 H 1 2.976 0.020 . 2 . . . . A 33 HIS HB3 . 31028 1 330 . 1 . 1 33 33 HIS HD2 H 1 7.151 0.020 . 1 . . . . A 33 HIS HD2 . 31028 1 331 . 1 . 1 33 33 HIS HE1 H 1 8.454 0.020 . 1 . . . . A 33 HIS HE1 . 31028 1 332 . 1 . 1 33 33 HIS CA C 13 52.379 0.3 . 1 . . . . A 33 HIS CA . 31028 1 333 . 1 . 1 33 33 HIS CB C 13 26.588 0.3 . 1 . . . . A 33 HIS CB . 31028 1 334 . 1 . 1 33 33 HIS CD2 C 13 117.453 0.3 . 1 . . . . A 33 HIS CD2 . 31028 1 335 . 1 . 1 33 33 HIS CE1 C 13 133.744 0.3 . 1 . . . . A 33 HIS CE1 . 31028 1 336 . 1 . 1 33 33 HIS N N 15 118.613 0.3 . 1 . . . . A 33 HIS N . 31028 1 337 . 1 . 1 34 34 HIS H H 1 8.259 0.020 . 1 . . . . A 34 HIS H . 31028 1 338 . 1 . 1 34 34 HIS HA H 1 4.610 0.020 . 1 . . . . A 34 HIS HA . 31028 1 339 . 1 . 1 34 34 HIS HB2 H 1 3.129 0.020 . 2 . . . . A 34 HIS HB2 . 31028 1 340 . 1 . 1 34 34 HIS HB3 H 1 3.034 0.020 . 2 . . . . A 34 HIS HB3 . 31028 1 341 . 1 . 1 34 34 HIS HD2 H 1 7.195 0.020 . 1 . . . . A 34 HIS HD2 . 31028 1 342 . 1 . 1 34 34 HIS HE1 H 1 8.491 0.020 . 1 . . . . A 34 HIS HE1 . 31028 1 343 . 1 . 1 34 34 HIS CA C 13 52.461 0.3 . 1 . . . . A 34 HIS CA . 31028 1 344 . 1 . 1 34 34 HIS CB C 13 26.653 0.3 . 1 . . . . A 34 HIS CB . 31028 1 345 . 1 . 1 34 34 HIS CD2 C 13 117.630 0.3 . 1 . . . . A 34 HIS CD2 . 31028 1 346 . 1 . 1 34 34 HIS CE1 C 13 133.783 0.3 . 1 . . . . A 34 HIS CE1 . 31028 1 347 . 1 . 1 34 34 HIS N N 15 119.756 0.3 . 1 . . . . A 34 HIS N . 31028 1 348 . 1 . 1 35 35 SER H H 1 8.191 0.020 . 1 . . . . A 35 SER H . 31028 1 349 . 1 . 1 35 35 SER HA H 1 4.405 0.020 . 1 . . . . A 35 SER HA . 31028 1 350 . 1 . 1 35 35 SER HB2 H 1 3.797 0.020 . 2 . . . . A 35 SER HB2 . 31028 1 351 . 1 . 1 35 35 SER HB3 H 1 3.746 0.020 . 2 . . . . A 35 SER HB3 . 31028 1 352 . 1 . 1 35 35 SER CA C 13 55.413 0.3 . 1 . . . . A 35 SER CA . 31028 1 353 . 1 . 1 35 35 SER CB C 13 61.326 0.3 . 1 . . . . A 35 SER CB . 31028 1 354 . 1 . 1 35 35 SER N N 15 117.374 0.3 . 1 . . . . A 35 SER N . 31028 1 355 . 1 . 1 36 36 SER H H 1 8.214 0.020 . 1 . . . . A 36 SER H . 31028 1 356 . 1 . 1 36 36 SER HA H 1 4.410 0.020 . 1 . . . . A 36 SER HA . 31028 1 357 . 1 . 1 36 36 SER HB2 H 1 3.817 0.020 . 2 . . . . A 36 SER HB2 . 31028 1 358 . 1 . 1 36 36 SER HB3 H 1 3.784 0.020 . 2 . . . . A 36 SER HB3 . 31028 1 359 . 1 . 1 36 36 SER CA C 13 55.682 0.3 . 1 . . . . A 36 SER CA . 31028 1 360 . 1 . 1 36 36 SER CB C 13 61.326 0.3 . 1 . . . . A 36 SER CB . 31028 1 361 . 1 . 1 36 36 SER N N 15 117.344 0.3 . 1 . . . . A 36 SER N . 31028 1 362 . 1 . 1 37 37 GLY H H 1 8.187 0.020 . 1 . . . . A 37 GLY H . 31028 1 363 . 1 . 1 37 37 GLY HA2 H 1 3.930 0.020 . 2 . . . . A 37 GLY HA2 . 31028 1 364 . 1 . 1 37 37 GLY HA3 H 1 3.918 0.020 . 2 . . . . A 37 GLY HA3 . 31028 1 365 . 1 . 1 37 37 GLY CA C 13 42.622 0.3 . 1 . . . . A 37 GLY CA . 31028 1 366 . 1 . 1 37 37 GLY N N 15 109.822 0.3 . 1 . . . . A 37 GLY N . 31028 1 367 . 1 . 1 38 38 SER H H 1 7.991 0.020 . 1 . . . . A 38 SER H . 31028 1 368 . 1 . 1 38 38 SER HA H 1 4.407 0.020 . 1 . . . . A 38 SER HA . 31028 1 369 . 1 . 1 38 38 SER HB2 H 1 3.802 0.020 . 2 . . . . A 38 SER HB2 . 31028 1 370 . 1 . 1 38 38 SER HB3 H 1 3.737 0.020 . 2 . . . . A 38 SER HB3 . 31028 1 371 . 1 . 1 38 38 SER CA C 13 55.595 0.3 . 1 . . . . A 38 SER CA . 31028 1 372 . 1 . 1 38 38 SER CB C 13 61.326 0.3 . 1 . . . . A 38 SER CB . 31028 1 373 . 1 . 1 38 38 SER N N 15 114.874 0.3 . 1 . . . . A 38 SER N . 31028 1 374 . 1 . 1 39 39 SER H H 1 8.097 0.020 . 1 . . . . A 39 SER H . 31028 1 375 . 1 . 1 39 39 SER HA H 1 4.399 0.020 . 1 . . . . A 39 SER HA . 31028 1 376 . 1 . 1 39 39 SER HB2 H 1 3.809 0.020 . 2 . . . . A 39 SER HB2 . 31028 1 377 . 1 . 1 39 39 SER HB3 H 1 3.745 0.020 . 2 . . . . A 39 SER HB3 . 31028 1 378 . 1 . 1 39 39 SER CA C 13 55.782 0.3 . 1 . . . . A 39 SER CA . 31028 1 379 . 1 . 1 39 39 SER CB C 13 61.203 0.3 . 1 . . . . A 39 SER CB . 31028 1 380 . 1 . 1 39 39 SER N N 15 116.896 0.3 . 1 . . . . A 39 SER N . 31028 1 381 . 1 . 1 40 40 SER H H 1 7.940 0.020 . 1 . . . . A 40 SER H . 31028 1 382 . 1 . 1 40 40 SER HA H 1 4.320 0.020 . 1 . . . . A 40 SER HA . 31028 1 383 . 1 . 1 40 40 SER HB2 H 1 3.664 0.020 . 2 . . . . A 40 SER HB2 . 31028 1 384 . 1 . 1 40 40 SER HB3 H 1 3.676 0.020 . 2 . . . . A 40 SER HB3 . 31028 1 385 . 1 . 1 40 40 SER CA C 13 55.691 0.3 . 1 . . . . A 40 SER CA . 31028 1 386 . 1 . 1 40 40 SER CB C 13 61.070 0.3 . 1 . . . . A 40 SER CB . 31028 1 387 . 1 . 1 40 40 SER N N 15 116.337 0.3 . 1 . . . . A 40 SER N . 31028 1 388 . 1 . 1 41 41 TYR H H 1 7.798 0.020 . 1 . . . . A 41 TYR H . 31028 1 389 . 1 . 1 41 41 TYR HA H 1 4.433 0.020 . 1 . . . . A 41 TYR HA . 31028 1 390 . 1 . 1 41 41 TYR HB2 H 1 2.926 0.020 . 2 . . . . A 41 TYR HB2 . 31028 1 391 . 1 . 1 41 41 TYR HB3 H 1 2.801 0.020 . 2 . . . . A 41 TYR HB3 . 31028 1 392 . 1 . 1 41 41 TYR HD1 H 1 7.037 0.020 . 3 . . . . A 41 TYR HD1 . 31028 1 393 . 1 . 1 41 41 TYR HD2 H 1 7.027 0.020 . 3 . . . . A 41 TYR HD2 . 31028 1 394 . 1 . 1 41 41 TYR CA C 13 55.197 0.3 . 1 . . . . A 41 TYR CA . 31028 1 395 . 1 . 1 41 41 TYR CB C 13 36.080 0.3 . 1 . . . . A 41 TYR CB . 31028 1 396 . 1 . 1 41 41 TYR CD2 C 13 130.170 0.3 . 1 . . . . A 41 TYR CD2 . 31028 1 397 . 1 . 1 41 41 TYR N N 15 120.673 0.3 . 1 . . . . A 41 TYR N . 31028 1 398 . 1 . 1 42 42 HIS H H 1 7.869 0.020 . 1 . . . . A 42 HIS H . 31028 1 399 . 1 . 1 42 42 HIS HA H 1 4.624 0.020 . 1 . . . . A 42 HIS HA . 31028 1 400 . 1 . 1 42 42 HIS HB2 H 1 3.146 0.020 . 2 . . . . A 42 HIS HB2 . 31028 1 401 . 1 . 1 42 42 HIS HB3 H 1 3.054 0.020 . 2 . . . . A 42 HIS HB3 . 31028 1 402 . 1 . 1 42 42 HIS HD2 H 1 7.122 0.020 . 1 . . . . A 42 HIS HD2 . 31028 1 403 . 1 . 1 42 42 HIS CA C 13 52.073 0.3 . 1 . . . . A 42 HIS CA . 31028 1 404 . 1 . 1 42 42 HIS CB C 13 27.006 0.3 . 1 . . . . A 42 HIS CB . 31028 1 405 . 1 . 1 42 42 HIS N N 15 118.572 0.3 . 1 . . . . A 42 HIS N . 31028 1 406 . 1 . 1 43 43 CYS H H 1 7.949 0.020 . 1 . . . . A 43 CYS H . 31028 1 407 . 1 . 1 43 43 CYS HA H 1 4.421 0.020 . 1 . . . . A 43 CYS HA . 31028 1 408 . 1 . 1 43 43 CYS HB2 H 1 3.197 0.020 . 2 . . . . A 43 CYS HB2 . 31028 1 409 . 1 . 1 43 43 CYS HB3 H 1 2.904 0.020 . 2 . . . . A 43 CYS HB3 . 31028 1 410 . 1 . 1 43 43 CYS CA C 13 53.684 0.3 . 1 . . . . A 43 CYS CA . 31028 1 411 . 1 . 1 43 43 CYS CB C 13 31.310 0.3 . 1 . . . . A 43 CYS CB . 31028 1 412 . 1 . 1 43 43 CYS N N 15 122.219 0.3 . 1 . . . . A 43 CYS N . 31028 1 stop_ save_