################################### # 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 30928 _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' . . . 30928 1 2 '3D CBCA(CO)NH' . . . 30928 1 3 '3D HNCACB' . . . 30928 1 4 '3D HCCH-COSY' . . . 30928 1 5 '2D 1H-13C HSQC' . . . 30928 1 6 '3D 1H-13C NOESY aliphatic' . . . 30928 1 7 '3D 1H-13C NOESY aromatic' . . . 30928 1 8 '3D 1H-15N NOESY' . . . 30928 1 9 '3D HNCO' . . . 30928 1 10 '3D HNCA' . . . 30928 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 3.856 0.000 . 2 . . . . A 1 GLY HA2 . 30928 1 2 . 1 . 1 1 1 GLY C C 13 169.563 0.000 . 1 . . . . A 1 GLY C . 30928 1 3 . 1 . 1 1 1 GLY CA C 13 43.472 0.000 . 1 . . . . A 1 GLY CA . 30928 1 4 . 1 . 1 2 2 ASP H H 1 8.609 0.000 . 1 . . . . A 2 ASP H . 30928 1 5 . 1 . 1 2 2 ASP HA H 1 4.719 0.000 . 1 . . . . A 2 ASP HA . 30928 1 6 . 1 . 1 2 2 ASP HB2 H 1 2.623 0.000 . 2 . . . . A 2 ASP HB2 . 30928 1 7 . 1 . 1 2 2 ASP HB3 H 1 2.669 0.000 . 2 . . . . A 2 ASP HB3 . 30928 1 8 . 1 . 1 2 2 ASP C C 13 176.461 0.000 . 1 . . . . A 2 ASP C . 30928 1 9 . 1 . 1 2 2 ASP CA C 13 54.155 0.000 . 1 . . . . A 2 ASP CA . 30928 1 10 . 1 . 1 2 2 ASP CB C 13 42.435 0.000 . 1 . . . . A 2 ASP CB . 30928 1 11 . 1 . 1 2 2 ASP N N 15 120.911 0.000 . 1 . . . . A 2 ASP N . 30928 1 12 . 1 . 1 3 3 ILE H H 1 8.329 0.000 . 1 . . . . A 3 ILE H . 30928 1 13 . 1 . 1 3 3 ILE HA H 1 3.995 0.000 . 1 . . . . A 3 ILE HA . 30928 1 14 . 1 . 1 3 3 ILE HB H 1 1.796 0.000 . 1 . . . . A 3 ILE HB . 30928 1 15 . 1 . 1 3 3 ILE HG12 H 1 1.320 0.000 . 2 . . . . A 3 ILE HG12 . 30928 1 16 . 1 . 1 3 3 ILE HG13 H 1 1.077 0.000 . 2 . . . . A 3 ILE HG13 . 30928 1 17 . 1 . 1 3 3 ILE HG21 H 1 0.778 0.000 . 1 . . . . A 3 ILE HG21 . 30928 1 18 . 1 . 1 3 3 ILE HG22 H 1 0.778 0.000 . 1 . . . . A 3 ILE HG22 . 30928 1 19 . 1 . 1 3 3 ILE HG23 H 1 0.778 0.000 . 1 . . . . A 3 ILE HG23 . 30928 1 20 . 1 . 1 3 3 ILE HD11 H 1 0.782 0.000 . 1 . . . . A 3 ILE HD11 . 30928 1 21 . 1 . 1 3 3 ILE HD12 H 1 0.782 0.000 . 1 . . . . A 3 ILE HD12 . 30928 1 22 . 1 . 1 3 3 ILE HD13 H 1 0.782 0.000 . 1 . . . . A 3 ILE HD13 . 30928 1 23 . 1 . 1 3 3 ILE C C 13 176.142 0.000 . 1 . . . . A 3 ILE C . 30928 1 24 . 1 . 1 3 3 ILE CA C 13 62.217 0.000 . 1 . . . . A 3 ILE CA . 30928 1 25 . 1 . 1 3 3 ILE CB C 13 38.676 0.000 . 1 . . . . A 3 ILE CB . 30928 1 26 . 1 . 1 3 3 ILE CG1 C 13 27.418 0.027 . 1 . . . . A 3 ILE CG1 . 30928 1 27 . 1 . 1 3 3 ILE CG2 C 13 17.729 0.000 . 1 . . . . A 3 ILE CG2 . 30928 1 28 . 1 . 1 3 3 ILE CD1 C 13 13.712 0.000 . 1 . . . . A 3 ILE CD1 . 30928 1 29 . 1 . 1 3 3 ILE N N 15 120.549 0.000 . 1 . . . . A 3 ILE N . 30928 1 30 . 1 . 1 4 4 SER H H 1 8.248 0.000 . 1 . . . . A 4 SER H . 30928 1 31 . 1 . 1 4 4 SER HA H 1 4.050 0.000 . 1 . . . . A 4 SER HA . 30928 1 32 . 1 . 1 4 4 SER HB2 H 1 3.548 0.000 . 2 . . . . A 4 SER HB2 . 30928 1 33 . 1 . 1 4 4 SER HB3 H 1 3.743 0.000 . 2 . . . . A 4 SER HB3 . 30928 1 34 . 1 . 1 4 4 SER C C 13 174.557 0.000 . 1 . . . . A 4 SER C . 30928 1 35 . 1 . 1 4 4 SER CA C 13 59.477 0.000 . 1 . . . . A 4 SER CA . 30928 1 36 . 1 . 1 4 4 SER CB C 13 63.465 0.027 . 1 . . . . A 4 SER CB . 30928 1 37 . 1 . 1 4 4 SER N N 15 118.000 0.000 . 1 . . . . A 4 SER N . 30928 1 38 . 1 . 1 5 5 ASP H H 1 8.006 0.000 . 1 . . . . A 5 ASP H . 30928 1 39 . 1 . 1 5 5 ASP HA H 1 4.441 0.000 . 1 . . . . A 5 ASP HA . 30928 1 40 . 1 . 1 5 5 ASP HB2 H 1 2.368 0.000 . 2 . . . . A 5 ASP HB2 . 30928 1 41 . 1 . 1 5 5 ASP HB3 H 1 2.457 0.000 . 2 . . . . A 5 ASP HB3 . 30928 1 42 . 1 . 1 5 5 ASP C C 13 176.014 0.000 . 1 . . . . A 5 ASP C . 30928 1 43 . 1 . 1 5 5 ASP CA C 13 54.880 0.000 . 1 . . . . A 5 ASP CA . 30928 1 44 . 1 . 1 5 5 ASP CB C 13 40.754 0.004 . 1 . . . . A 5 ASP CB . 30928 1 45 . 1 . 1 5 5 ASP N N 15 121.501 0.000 . 1 . . . . A 5 ASP N . 30928 1 46 . 1 . 1 6 6 TYR H H 1 7.678 0.000 . 1 . . . . A 6 TYR H . 30928 1 47 . 1 . 1 6 6 TYR HA H 1 4.412 0.000 . 1 . . . . A 6 TYR HA . 30928 1 48 . 1 . 1 6 6 TYR HB2 H 1 2.599 0.000 . 2 . . . . A 6 TYR HB2 . 30928 1 49 . 1 . 1 6 6 TYR HB3 H 1 2.529 0.000 . 2 . . . . A 6 TYR HB3 . 30928 1 50 . 1 . 1 6 6 TYR HD1 H 1 6.830 0.000 . 1 . . . . A 6 TYR HD1 . 30928 1 51 . 1 . 1 6 6 TYR HD2 H 1 6.830 0.000 . 1 . . . . A 6 TYR HD2 . 30928 1 52 . 1 . 1 6 6 TYR HE1 H 1 6.664 0.000 . 1 . . . . A 6 TYR HE1 . 30928 1 53 . 1 . 1 6 6 TYR HE2 H 1 6.664 0.000 . 1 . . . . A 6 TYR HE2 . 30928 1 54 . 1 . 1 6 6 TYR C C 13 175.418 0.000 . 1 . . . . A 6 TYR C . 30928 1 55 . 1 . 1 6 6 TYR CA C 13 57.702 0.000 . 1 . . . . A 6 TYR CA . 30928 1 56 . 1 . 1 6 6 TYR CB C 13 38.779 0.033 . 1 . . . . A 6 TYR CB . 30928 1 57 . 1 . 1 6 6 TYR CD1 C 13 132.910 0.000 . 1 . . . . A 6 TYR CD1 . 30928 1 58 . 1 . 1 6 6 TYR CE1 C 13 117.950 0.000 . 1 . . . . A 6 TYR CE1 . 30928 1 59 . 1 . 1 6 6 TYR N N 15 118.199 0.000 . 1 . . . . A 6 TYR N . 30928 1 60 . 1 . 1 7 7 GLY H H 1 7.980 0.000 . 1 . . . . A 7 GLY H . 30928 1 61 . 1 . 1 7 7 GLY HA2 H 1 4.293 0.000 . 2 . . . . A 7 GLY HA2 . 30928 1 62 . 1 . 1 7 7 GLY HA3 H 1 3.842 0.000 . 2 . . . . A 7 GLY HA3 . 30928 1 63 . 1 . 1 7 7 GLY C C 13 172.069 0.000 . 1 . . . . A 7 GLY C . 30928 1 64 . 1 . 1 7 7 GLY CA C 13 45.192 0.016 . 1 . . . . A 7 GLY CA . 30928 1 65 . 1 . 1 7 7 GLY N N 15 108.526 0.000 . 1 . . . . A 7 GLY N . 30928 1 66 . 1 . 1 8 8 ASP H H 1 8.548 0.000 . 1 . . . . A 8 ASP H . 30928 1 67 . 1 . 1 8 8 ASP HA H 1 5.192 0.000 . 1 . . . . A 8 ASP HA . 30928 1 68 . 1 . 1 8 8 ASP HB2 H 1 2.843 0.000 . 2 . . . . A 8 ASP HB2 . 30928 1 69 . 1 . 1 8 8 ASP HB3 H 1 2.618 0.000 . 2 . . . . A 8 ASP HB3 . 30928 1 70 . 1 . 1 8 8 ASP CA C 13 52.746 0.000 . 1 . . . . A 8 ASP CA . 30928 1 71 . 1 . 1 8 8 ASP CB C 13 41.333 0.002 . 1 . . . . A 8 ASP CB . 30928 1 72 . 1 . 1 8 8 ASP N N 15 122.081 0.000 . 1 . . . . A 8 ASP N . 30928 1 73 . 1 . 1 9 9 PRO HA H 1 4.417 0.000 . 1 . . . . A 9 PRO HA . 30928 1 74 . 1 . 1 9 9 PRO HB2 H 1 2.286 0.000 . 2 . . . . A 9 PRO HB2 . 30928 1 75 . 1 . 1 9 9 PRO HB3 H 1 1.751 0.000 . 2 . . . . A 9 PRO HB3 . 30928 1 76 . 1 . 1 9 9 PRO HG2 H 1 2.106 0.000 . 2 . . . . A 9 PRO HG2 . 30928 1 77 . 1 . 1 9 9 PRO HG3 H 1 2.012 0.000 . 2 . . . . A 9 PRO HG3 . 30928 1 78 . 1 . 1 9 9 PRO HD2 H 1 3.673 0.000 . 2 . . . . A 9 PRO HD2 . 30928 1 79 . 1 . 1 9 9 PRO HD3 H 1 4.045 0.000 . 2 . . . . A 9 PRO HD3 . 30928 1 80 . 1 . 1 9 9 PRO C C 13 176.944 0.000 . 1 . . . . A 9 PRO C . 30928 1 81 . 1 . 1 9 9 PRO CA C 13 63.003 0.000 . 1 . . . . A 9 PRO CA . 30928 1 82 . 1 . 1 9 9 PRO CB C 13 31.965 0.000 . 1 . . . . A 9 PRO CB . 30928 1 83 . 1 . 1 9 9 PRO CG C 13 27.980 0.008 . 1 . . . . A 9 PRO CG . 30928 1 84 . 1 . 1 9 9 PRO CD C 13 50.422 0.019 . 1 . . . . A 9 PRO CD . 30928 1 85 . 1 . 1 10 10 CYS H H 1 7.916 0.000 . 1 . . . . A 10 CYS H . 30928 1 86 . 1 . 1 10 10 CYS HA H 1 3.805 0.000 . 1 . . . . A 10 CYS HA . 30928 1 87 . 1 . 1 10 10 CYS HB2 H 1 2.682 0.000 . 1 . . . . A 10 CYS HB2 . 30928 1 88 . 1 . 1 10 10 CYS HB3 H 1 3.255 0.000 . 1 . . . . A 10 CYS HB3 . 30928 1 89 . 1 . 1 10 10 CYS C C 13 173.907 0.000 . 1 . . . . A 10 CYS C . 30928 1 90 . 1 . 1 10 10 CYS CA C 13 54.738 0.000 . 1 . . . . A 10 CYS CA . 30928 1 91 . 1 . 1 10 10 CYS CB C 13 39.291 0.067 . 1 . . . . A 10 CYS CB . 30928 1 92 . 1 . 1 10 10 CYS N N 15 119.864 0.000 . 1 . . . . A 10 CYS N . 30928 1 93 . 1 . 1 11 11 SER H H 1 8.016 0.000 . 1 . . . . A 11 SER H . 30928 1 94 . 1 . 1 11 11 SER HA H 1 4.305 0.000 . 1 . . . . A 11 SER HA . 30928 1 95 . 1 . 1 11 11 SER HB2 H 1 4.117 0.000 . 2 . . . . A 11 SER HB2 . 30928 1 96 . 1 . 1 11 11 SER HB3 H 1 3.844 0.000 . 2 . . . . A 11 SER HB3 . 30928 1 97 . 1 . 1 11 11 SER C C 13 175.756 0.000 . 1 . . . . A 11 SER C . 30928 1 98 . 1 . 1 11 11 SER CA C 13 57.725 0.000 . 1 . . . . A 11 SER CA . 30928 1 99 . 1 . 1 11 11 SER CB C 13 63.978 0.003 . 1 . . . . A 11 SER CB . 30928 1 100 . 1 . 1 11 11 SER N N 15 115.861 0.000 . 1 . . . . A 11 SER N . 30928 1 101 . 1 . 1 12 12 ASP H H 1 8.792 0.000 . 1 . . . . A 12 ASP H . 30928 1 102 . 1 . 1 12 12 ASP HA H 1 4.249 0.000 . 1 . . . . A 12 ASP HA . 30928 1 103 . 1 . 1 12 12 ASP HB2 H 1 2.639 0.000 . 2 . . . . A 12 ASP HB2 . 30928 1 104 . 1 . 1 12 12 ASP C C 13 177.534 0.000 . 1 . . . . A 12 ASP C . 30928 1 105 . 1 . 1 12 12 ASP CA C 13 57.465 0.000 . 1 . . . . A 12 ASP CA . 30928 1 106 . 1 . 1 12 12 ASP CB C 13 40.475 0.000 . 1 . . . . A 12 ASP CB . 30928 1 107 . 1 . 1 12 12 ASP N N 15 121.263 0.000 . 1 . . . . A 12 ASP N . 30928 1 108 . 1 . 1 13 13 ASP H H 1 8.596 0.000 . 1 . . . . A 13 ASP H . 30928 1 109 . 1 . 1 13 13 ASP HA H 1 4.359 0.000 . 1 . . . . A 13 ASP HA . 30928 1 110 . 1 . 1 13 13 ASP HB2 H 1 2.631 0.000 . 2 . . . . A 13 ASP HB2 . 30928 1 111 . 1 . 1 13 13 ASP HB3 H 1 2.525 0.000 . 2 . . . . A 13 ASP HB3 . 30928 1 112 . 1 . 1 13 13 ASP C C 13 176.804 0.000 . 1 . . . . A 13 ASP C . 30928 1 113 . 1 . 1 13 13 ASP CA C 13 55.723 0.000 . 1 . . . . A 13 ASP CA . 30928 1 114 . 1 . 1 13 13 ASP CB C 13 39.217 0.003 . 1 . . . . A 13 ASP CB . 30928 1 115 . 1 . 1 13 13 ASP N N 15 117.506 0.000 . 1 . . . . A 13 ASP N . 30928 1 116 . 1 . 1 14 14 LEU H H 1 7.573 0.000 . 1 . . . . A 14 LEU H . 30928 1 117 . 1 . 1 14 14 LEU HA H 1 4.539 0.000 . 1 . . . . A 14 LEU HA . 30928 1 118 . 1 . 1 14 14 LEU HB2 H 1 1.880 0.000 . 2 . . . . A 14 LEU HB2 . 30928 1 119 . 1 . 1 14 14 LEU HB3 H 1 1.526 0.000 . 2 . . . . A 14 LEU HB3 . 30928 1 120 . 1 . 1 14 14 LEU HG H 1 1.393 0.000 . 1 . . . . A 14 LEU HG . 30928 1 121 . 1 . 1 14 14 LEU HD11 H 1 0.769 0.000 . 1 . . . . A 14 LEU HD11 . 30928 1 122 . 1 . 1 14 14 LEU HD12 H 1 0.769 0.000 . 1 . . . . A 14 LEU HD12 . 30928 1 123 . 1 . 1 14 14 LEU HD13 H 1 0.769 0.000 . 1 . . . . A 14 LEU HD13 . 30928 1 124 . 1 . 1 14 14 LEU HD21 H 1 0.638 0.000 . 1 . . . . A 14 LEU HD21 . 30928 1 125 . 1 . 1 14 14 LEU HD22 H 1 0.638 0.000 . 1 . . . . A 14 LEU HD22 . 30928 1 126 . 1 . 1 14 14 LEU HD23 H 1 0.638 0.000 . 1 . . . . A 14 LEU HD23 . 30928 1 127 . 1 . 1 14 14 LEU C C 13 177.393 0.000 . 1 . . . . A 14 LEU C . 30928 1 128 . 1 . 1 14 14 LEU CA C 13 54.229 0.000 . 1 . . . . A 14 LEU CA . 30928 1 129 . 1 . 1 14 14 LEU CB C 13 43.418 0.051 . 1 . . . . A 14 LEU CB . 30928 1 130 . 1 . 1 14 14 LEU CG C 13 26.966 0.000 . 1 . . . . A 14 LEU CG . 30928 1 131 . 1 . 1 14 14 LEU CD1 C 13 25.963 0.000 . 1 . . . . A 14 LEU CD1 . 30928 1 132 . 1 . 1 14 14 LEU CD2 C 13 23.314 0.000 . 1 . . . . A 14 LEU CD2 . 30928 1 133 . 1 . 1 14 14 LEU N N 15 120.581 0.000 . 1 . . . . A 14 LEU N . 30928 1 134 . 1 . 1 15 15 LYS H H 1 7.333 0.000 . 1 . . . . A 15 LYS H . 30928 1 135 . 1 . 1 15 15 LYS HA H 1 4.076 0.000 . 1 . . . . A 15 LYS HA . 30928 1 136 . 1 . 1 15 15 LYS HB2 H 1 1.933 0.000 . 2 . . . . A 15 LYS HB2 . 30928 1 137 . 1 . 1 15 15 LYS HB3 H 1 1.801 0.000 . 2 . . . . A 15 LYS HB3 . 30928 1 138 . 1 . 1 15 15 LYS HG2 H 1 1.438 0.000 . 2 . . . . A 15 LYS HG2 . 30928 1 139 . 1 . 1 15 15 LYS HG3 H 1 1.365 0.000 . 2 . . . . A 15 LYS HG3 . 30928 1 140 . 1 . 1 15 15 LYS HD2 H 1 1.676 0.000 . 2 . . . . A 15 LYS HD2 . 30928 1 141 . 1 . 1 15 15 LYS HD3 H 1 1.799 0.000 . 2 . . . . A 15 LYS HD3 . 30928 1 142 . 1 . 1 15 15 LYS HE2 H 1 2.980 0.000 . 2 . . . . A 15 LYS HE2 . 30928 1 143 . 1 . 1 15 15 LYS HE3 H 1 2.980 0.000 . 2 . . . . A 15 LYS HE3 . 30928 1 144 . 1 . 1 15 15 LYS C C 13 176.610 0.000 . 1 . . . . A 15 LYS C . 30928 1 145 . 1 . 1 15 15 LYS CA C 13 59.227 0.000 . 1 . . . . A 15 LYS CA . 30928 1 146 . 1 . 1 15 15 LYS CB C 13 32.176 0.025 . 1 . . . . A 15 LYS CB . 30928 1 147 . 1 . 1 15 15 LYS CG C 13 23.958 0.000 . 1 . . . . A 15 LYS CG . 30928 1 148 . 1 . 1 15 15 LYS CD C 13 29.274 0.052 . 1 . . . . A 15 LYS CD . 30928 1 149 . 1 . 1 15 15 LYS CE C 13 42.084 0.000 . 1 . . . . A 15 LYS CE . 30928 1 150 . 1 . 1 15 15 LYS N N 15 120.321 0.000 . 1 . . . . A 15 LYS N . 30928 1 151 . 1 . 1 16 16 ASP H H 1 8.353 0.000 . 1 . . . . A 16 ASP H . 30928 1 152 . 1 . 1 16 16 ASP HA H 1 4.669 0.000 . 1 . . . . A 16 ASP HA . 30928 1 153 . 1 . 1 16 16 ASP HB2 H 1 2.692 0.000 . 2 . . . . A 16 ASP HB2 . 30928 1 154 . 1 . 1 16 16 ASP HB3 H 1 2.497 0.000 . 2 . . . . A 16 ASP HB3 . 30928 1 155 . 1 . 1 16 16 ASP C C 13 175.772 0.000 . 1 . . . . A 16 ASP C . 30928 1 156 . 1 . 1 16 16 ASP CA C 13 53.685 0.000 . 1 . . . . A 16 ASP CA . 30928 1 157 . 1 . 1 16 16 ASP CB C 13 40.432 0.038 . 1 . . . . A 16 ASP CB . 30928 1 158 . 1 . 1 16 16 ASP N N 15 117.543 0.000 . 1 . . . . A 16 ASP N . 30928 1 159 . 1 . 1 17 17 TYR H H 1 7.792 0.000 . 1 . . . . A 17 TYR H . 30928 1 160 . 1 . 1 17 17 TYR HA H 1 3.928 0.000 . 1 . . . . A 17 TYR HA . 30928 1 161 . 1 . 1 17 17 TYR HB2 H 1 3.111 0.000 . 2 . . . . A 17 TYR HB2 . 30928 1 162 . 1 . 1 17 17 TYR HB3 H 1 2.786 0.000 . 2 . . . . A 17 TYR HB3 . 30928 1 163 . 1 . 1 17 17 TYR HD1 H 1 7.004 0.000 . 1 . . . . A 17 TYR HD1 . 30928 1 164 . 1 . 1 17 17 TYR HD2 H 1 7.004 0.000 . 1 . . . . A 17 TYR HD2 . 30928 1 165 . 1 . 1 17 17 TYR HE1 H 1 6.586 0.000 . 1 . . . . A 17 TYR HE1 . 30928 1 166 . 1 . 1 17 17 TYR HE2 H 1 6.586 0.000 . 1 . . . . A 17 TYR HE2 . 30928 1 167 . 1 . 1 17 17 TYR C C 13 176.035 0.000 . 1 . . . . A 17 TYR C . 30928 1 168 . 1 . 1 17 17 TYR CA C 13 62.487 0.000 . 1 . . . . A 17 TYR CA . 30928 1 169 . 1 . 1 17 17 TYR CB C 13 39.774 0.011 . 1 . . . . A 17 TYR CB . 30928 1 170 . 1 . 1 17 17 TYR CD1 C 13 133.202 0.000 . 1 . . . . A 17 TYR CD1 . 30928 1 171 . 1 . 1 17 17 TYR CE1 C 13 118.276 0.000 . 1 . . . . A 17 TYR CE1 . 30928 1 172 . 1 . 1 17 17 TYR N N 15 121.459 0.000 . 1 . . . . A 17 TYR N . 30928 1 173 . 1 . 1 18 18 CYS H H 1 8.575 0.000 . 1 . . . . A 18 CYS H . 30928 1 174 . 1 . 1 18 18 CYS HA H 1 4.226 0.000 . 1 . . . . A 18 CYS HA . 30928 1 175 . 1 . 1 18 18 CYS HB2 H 1 2.527 0.000 . 2 . . . . A 18 CYS HB2 . 30928 1 176 . 1 . 1 18 18 CYS HB3 H 1 1.785 0.000 . 2 . . . . A 18 CYS HB3 . 30928 1 177 . 1 . 1 18 18 CYS C C 13 174.053 0.000 . 1 . . . . A 18 CYS C . 30928 1 178 . 1 . 1 18 18 CYS CA C 13 52.166 0.000 . 1 . . . . A 18 CYS CA . 30928 1 179 . 1 . 1 18 18 CYS CB C 13 38.785 0.004 . 1 . . . . A 18 CYS CB . 30928 1 180 . 1 . 1 18 18 CYS N N 15 114.733 0.000 . 1 . . . . A 18 CYS N . 30928 1 181 . 1 . 1 19 19 ILE H H 1 8.351 0.000 . 1 . . . . A 19 ILE H . 30928 1 182 . 1 . 1 19 19 ILE HA H 1 3.561 0.000 . 1 . . . . A 19 ILE HA . 30928 1 183 . 1 . 1 19 19 ILE HB H 1 1.311 0.000 . 1 . . . . A 19 ILE HB . 30928 1 184 . 1 . 1 19 19 ILE HG12 H 1 1.257 0.000 . 1 . . . . A 19 ILE HG12 . 30928 1 185 . 1 . 1 19 19 ILE HG13 H 1 1.067 0.000 . 1 . . . . A 19 ILE HG13 . 30928 1 186 . 1 . 1 19 19 ILE HG21 H 1 0.259 0.000 . 1 . . . . A 19 ILE HG21 . 30928 1 187 . 1 . 1 19 19 ILE HG22 H 1 0.259 0.000 . 1 . . . . A 19 ILE HG22 . 30928 1 188 . 1 . 1 19 19 ILE HG23 H 1 0.259 0.000 . 1 . . . . A 19 ILE HG23 . 30928 1 189 . 1 . 1 19 19 ILE HD11 H 1 0.551 0.000 . 1 . . . . A 19 ILE HD11 . 30928 1 190 . 1 . 1 19 19 ILE HD12 H 1 0.551 0.000 . 1 . . . . A 19 ILE HD12 . 30928 1 191 . 1 . 1 19 19 ILE HD13 H 1 0.551 0.000 . 1 . . . . A 19 ILE HD13 . 30928 1 192 . 1 . 1 19 19 ILE C C 13 176.116 0.000 . 1 . . . . A 19 ILE C . 30928 1 193 . 1 . 1 19 19 ILE CA C 13 62.980 0.000 . 1 . . . . A 19 ILE CA . 30928 1 194 . 1 . 1 19 19 ILE CB C 13 35.741 0.000 . 1 . . . . A 19 ILE CB . 30928 1 195 . 1 . 1 19 19 ILE CG1 C 13 27.450 0.008 . 1 . . . . A 19 ILE CG1 . 30928 1 196 . 1 . 1 19 19 ILE CG2 C 13 16.957 0.000 . 1 . . . . A 19 ILE CG2 . 30928 1 197 . 1 . 1 19 19 ILE CD1 C 13 10.951 0.000 . 1 . . . . A 19 ILE CD1 . 30928 1 198 . 1 . 1 19 19 ILE N N 15 124.711 0.000 . 1 . . . . A 19 ILE N . 30928 1 199 . 1 . 1 20 20 HIS H H 1 6.177 0.000 . 1 . . . . A 20 HIS H . 30928 1 200 . 1 . 1 20 20 HIS HA H 1 4.524 0.000 . 1 . . . . A 20 HIS HA . 30928 1 201 . 1 . 1 20 20 HIS HB2 H 1 2.775 0.000 . 2 . . . . A 20 HIS HB2 . 30928 1 202 . 1 . 1 20 20 HIS HB3 H 1 1.879 0.000 . 2 . . . . A 20 HIS HB3 . 30928 1 203 . 1 . 1 20 20 HIS HD2 H 1 6.939 0.000 . 1 . . . . A 20 HIS HD2 . 30928 1 204 . 1 . 1 20 20 HIS C C 13 173.233 0.000 . 1 . . . . A 20 HIS C . 30928 1 205 . 1 . 1 20 20 HIS CA C 13 52.470 0.000 . 1 . . . . A 20 HIS CA . 30928 1 206 . 1 . 1 20 20 HIS CB C 13 26.945 0.005 . 1 . . . . A 20 HIS CB . 30928 1 207 . 1 . 1 20 20 HIS CD2 C 13 121.160 0.000 . 1 . . . . A 20 HIS CD2 . 30928 1 208 . 1 . 1 20 20 HIS N N 15 115.124 0.000 . 1 . . . . A 20 HIS N . 30928 1 209 . 1 . 1 21 21 GLY H H 1 6.818 0.000 . 1 . . . . A 21 GLY H . 30928 1 210 . 1 . 1 21 21 GLY HA2 H 1 3.431 0.000 . 2 . . . . A 21 GLY HA2 . 30928 1 211 . 1 . 1 21 21 GLY HA3 H 1 2.693 0.000 . 2 . . . . A 21 GLY HA3 . 30928 1 212 . 1 . 1 21 21 GLY C C 13 169.306 0.000 . 1 . . . . A 21 GLY C . 30928 1 213 . 1 . 1 21 21 GLY CA C 13 45.977 0.002 . 1 . . . . A 21 GLY CA . 30928 1 214 . 1 . 1 21 21 GLY N N 15 107.235 0.000 . 1 . . . . A 21 GLY N . 30928 1 215 . 1 . 1 22 22 ASP H H 1 7.957 0.000 . 1 . . . . A 22 ASP H . 30928 1 216 . 1 . 1 22 22 ASP HA H 1 4.889 0.000 . 1 . . . . A 22 ASP HA . 30928 1 217 . 1 . 1 22 22 ASP HB2 H 1 2.698 0.000 . 2 . . . . A 22 ASP HB2 . 30928 1 218 . 1 . 1 22 22 ASP HB3 H 1 2.490 0.000 . 2 . . . . A 22 ASP HB3 . 30928 1 219 . 1 . 1 22 22 ASP C C 13 173.536 0.000 . 1 . . . . A 22 ASP C . 30928 1 220 . 1 . 1 22 22 ASP CA C 13 53.288 0.000 . 1 . . . . A 22 ASP CA . 30928 1 221 . 1 . 1 22 22 ASP CB C 13 44.568 0.097 . 1 . . . . A 22 ASP CB . 30928 1 222 . 1 . 1 22 22 ASP N N 15 116.828 0.000 . 1 . . . . A 22 ASP N . 30928 1 223 . 1 . 1 23 23 CYS H H 1 8.711 0.000 . 1 . . . . A 23 CYS H . 30928 1 224 . 1 . 1 23 23 CYS HA H 1 5.236 0.000 . 1 . . . . A 23 CYS HA . 30928 1 225 . 1 . 1 23 23 CYS HB2 H 1 3.073 0.000 . 2 . . . . A 23 CYS HB2 . 30928 1 226 . 1 . 1 23 23 CYS HB3 H 1 3.073 0.000 . 2 . . . . A 23 CYS HB3 . 30928 1 227 . 1 . 1 23 23 CYS C C 13 174.900 0.000 . 1 . . . . A 23 CYS C . 30928 1 228 . 1 . 1 23 23 CYS CA C 13 57.015 0.000 . 1 . . . . A 23 CYS CA . 30928 1 229 . 1 . 1 23 23 CYS CB C 13 35.969 0.000 . 1 . . . . A 23 CYS CB . 30928 1 230 . 1 . 1 23 23 CYS N N 15 123.915 0.000 . 1 . . . . A 23 CYS N . 30928 1 231 . 1 . 1 24 24 PHE H H 1 9.443 0.000 . 1 . . . . A 24 PHE H . 30928 1 232 . 1 . 1 24 24 PHE HA H 1 4.876 0.000 . 1 . . . . A 24 PHE HA . 30928 1 233 . 1 . 1 24 24 PHE HB2 H 1 2.814 0.000 . 2 . . . . A 24 PHE HB2 . 30928 1 234 . 1 . 1 24 24 PHE HB3 H 1 2.505 0.000 . 2 . . . . A 24 PHE HB3 . 30928 1 235 . 1 . 1 24 24 PHE HD1 H 1 6.886 0.000 . 1 . . . . A 24 PHE HD1 . 30928 1 236 . 1 . 1 24 24 PHE HD2 H 1 6.886 0.000 . 1 . . . . A 24 PHE HD2 . 30928 1 237 . 1 . 1 24 24 PHE HE1 H 1 7.093 0.000 . 1 . . . . A 24 PHE HE1 . 30928 1 238 . 1 . 1 24 24 PHE HE2 H 1 7.093 0.000 . 1 . . . . A 24 PHE HE2 . 30928 1 239 . 1 . 1 24 24 PHE C C 13 173.186 0.000 . 1 . . . . A 24 PHE C . 30928 1 240 . 1 . 1 24 24 PHE CA C 13 57.732 0.000 . 1 . . . . A 24 PHE CA . 30928 1 241 . 1 . 1 24 24 PHE CB C 13 42.730 0.000 . 1 . . . . A 24 PHE CB . 30928 1 242 . 1 . 1 24 24 PHE CD2 C 13 132.127 0.000 . 1 . . . . A 24 PHE CD2 . 30928 1 243 . 1 . 1 24 24 PHE CE2 C 13 130.788 0.000 . 1 . . . . A 24 PHE CE2 . 30928 1 244 . 1 . 1 24 24 PHE N N 15 129.645 0.000 . 1 . . . . A 24 PHE N . 30928 1 245 . 1 . 1 25 25 PHE H H 1 9.554 0.000 . 1 . . . . A 25 PHE H . 30928 1 246 . 1 . 1 25 25 PHE HA H 1 4.684 0.000 . 1 . . . . A 25 PHE HA . 30928 1 247 . 1 . 1 25 25 PHE HB2 H 1 2.955 0.000 . 2 . . . . A 25 PHE HB2 . 30928 1 248 . 1 . 1 25 25 PHE HB3 H 1 2.692 0.000 . 2 . . . . A 25 PHE HB3 . 30928 1 249 . 1 . 1 25 25 PHE HD1 H 1 6.844 0.000 . 1 . . . . A 25 PHE HD1 . 30928 1 250 . 1 . 1 25 25 PHE HD2 H 1 6.844 0.000 . 1 . . . . A 25 PHE HD2 . 30928 1 251 . 1 . 1 25 25 PHE HZ H 1 7.155 0.000 . 1 . . . . A 25 PHE HZ . 30928 1 252 . 1 . 1 25 25 PHE C C 13 175.687 0.000 . 1 . . . . A 25 PHE C . 30928 1 253 . 1 . 1 25 25 PHE CA C 13 57.736 0.000 . 1 . . . . A 25 PHE CA . 30928 1 254 . 1 . 1 25 25 PHE CB C 13 41.364 0.034 . 1 . . . . A 25 PHE CB . 30928 1 255 . 1 . 1 25 25 PHE CD2 C 13 131.186 0.000 . 1 . . . . A 25 PHE CD2 . 30928 1 256 . 1 . 1 25 25 PHE CE2 C 13 131.212 0.000 . 1 . . . . A 25 PHE CE2 . 30928 1 257 . 1 . 1 25 25 PHE CZ C 13 129.423 0.000 . 1 . . . . A 25 PHE CZ . 30928 1 258 . 1 . 1 25 25 PHE N N 15 122.451 0.000 . 1 . . . . A 25 PHE N . 30928 1 259 . 1 . 1 26 26 LEU H H 1 8.168 0.000 . 1 . . . . A 26 LEU H . 30928 1 260 . 1 . 1 26 26 LEU HA H 1 4.580 0.000 . 1 . . . . A 26 LEU HA . 30928 1 261 . 1 . 1 26 26 LEU HB2 H 1 1.779 0.000 . 2 . . . . A 26 LEU HB2 . 30928 1 262 . 1 . 1 26 26 LEU HB3 H 1 1.488 0.000 . 2 . . . . A 26 LEU HB3 . 30928 1 263 . 1 . 1 26 26 LEU HG H 1 1.636 0.000 . 1 . . . . A 26 LEU HG . 30928 1 264 . 1 . 1 26 26 LEU HD11 H 1 0.812 0.000 . 1 . . . . A 26 LEU HD11 . 30928 1 265 . 1 . 1 26 26 LEU HD12 H 1 0.812 0.000 . 1 . . . . A 26 LEU HD12 . 30928 1 266 . 1 . 1 26 26 LEU HD13 H 1 0.812 0.000 . 1 . . . . A 26 LEU HD13 . 30928 1 267 . 1 . 1 26 26 LEU HD21 H 1 0.769 0.000 . 1 . . . . A 26 LEU HD21 . 30928 1 268 . 1 . 1 26 26 LEU HD22 H 1 0.769 0.000 . 1 . . . . A 26 LEU HD22 . 30928 1 269 . 1 . 1 26 26 LEU HD23 H 1 0.769 0.000 . 1 . . . . A 26 LEU HD23 . 30928 1 270 . 1 . 1 26 26 LEU C C 13 177.118 0.000 . 1 . . . . A 26 LEU C . 30928 1 271 . 1 . 1 26 26 LEU CA C 13 53.821 0.000 . 1 . . . . A 26 LEU CA . 30928 1 272 . 1 . 1 26 26 LEU CB C 13 40.941 0.002 . 1 . . . . A 26 LEU CB . 30928 1 273 . 1 . 1 26 26 LEU CG C 13 26.811 0.000 . 1 . . . . A 26 LEU CG . 30928 1 274 . 1 . 1 26 26 LEU CD1 C 13 25.910 0.000 . 1 . . . . A 26 LEU CD1 . 30928 1 275 . 1 . 1 26 26 LEU CD2 C 13 23.266 0.000 . 1 . . . . A 26 LEU CD2 . 30928 1 276 . 1 . 1 26 26 LEU N N 15 127.851 0.000 . 1 . . . . A 26 LEU N . 30928 1 277 . 1 . 1 27 27 LYS H H 1 8.543 0.000 . 1 . . . . A 27 LYS H . 30928 1 278 . 1 . 1 27 27 LYS HA H 1 3.894 0.000 . 1 . . . . A 27 LYS HA . 30928 1 279 . 1 . 1 27 27 LYS HB2 H 1 1.867 0.000 . 2 . . . . A 27 LYS HB2 . 30928 1 280 . 1 . 1 27 27 LYS HB3 H 1 1.867 0.000 . 2 . . . . A 27 LYS HB3 . 30928 1 281 . 1 . 1 27 27 LYS HG2 H 1 1.507 0.000 . 2 . . . . A 27 LYS HG2 . 30928 1 282 . 1 . 1 27 27 LYS HG3 H 1 1.507 0.000 . 2 . . . . A 27 LYS HG3 . 30928 1 283 . 1 . 1 27 27 LYS HD2 H 1 1.744 0.000 . 2 . . . . A 27 LYS HD2 . 30928 1 284 . 1 . 1 27 27 LYS HE2 H 1 3.005 0.000 . 2 . . . . A 27 LYS HE2 . 30928 1 285 . 1 . 1 27 27 LYS HE3 H 1 3.005 0.000 . 2 . . . . A 27 LYS HE3 . 30928 1 286 . 1 . 1 27 27 LYS C C 13 178.701 0.000 . 1 . . . . A 27 LYS C . 30928 1 287 . 1 . 1 27 27 LYS CA C 13 59.711 0.000 . 1 . . . . A 27 LYS CA . 30928 1 288 . 1 . 1 27 27 LYS CB C 13 32.492 0.000 . 1 . . . . A 27 LYS CB . 30928 1 289 . 1 . 1 27 27 LYS CG C 13 25.011 0.000 . 1 . . . . A 27 LYS CG . 30928 1 290 . 1 . 1 27 27 LYS CD C 13 29.259 0.000 . 1 . . . . A 27 LYS CD . 30928 1 291 . 1 . 1 27 27 LYS CE C 13 41.972 0.000 . 1 . . . . A 27 LYS CE . 30928 1 292 . 1 . 1 27 27 LYS N N 15 125.673 0.000 . 1 . . . . A 27 LYS N . 30928 1 293 . 1 . 1 28 28 GLU H H 1 9.097 0.000 . 1 . . . . A 28 GLU H . 30928 1 294 . 1 . 1 28 28 GLU HA H 1 4.033 0.000 . 1 . . . . A 28 GLU HA . 30928 1 295 . 1 . 1 28 28 GLU HB2 H 1 2.016 0.000 . 2 . . . . A 28 GLU HB2 . 30928 1 296 . 1 . 1 28 28 GLU HB3 H 1 2.016 0.000 . 2 . . . . A 28 GLU HB3 . 30928 1 297 . 1 . 1 28 28 GLU HG2 H 1 2.273 0.000 . 2 . . . . A 28 GLU HG2 . 30928 1 298 . 1 . 1 28 28 GLU HG3 H 1 2.273 0.000 . 2 . . . . A 28 GLU HG3 . 30928 1 299 . 1 . 1 28 28 GLU C C 13 177.248 0.000 . 1 . . . . A 28 GLU C . 30928 1 300 . 1 . 1 28 28 GLU CA C 13 59.142 0.000 . 1 . . . . A 28 GLU CA . 30928 1 301 . 1 . 1 28 28 GLU CB C 13 28.945 0.000 . 1 . . . . A 28 GLU CB . 30928 1 302 . 1 . 1 28 28 GLU CG C 13 36.460 0.000 . 1 . . . . A 28 GLU CG . 30928 1 303 . 1 . 1 28 28 GLU N N 15 117.517 0.000 . 1 . . . . A 28 GLU N . 30928 1 304 . 1 . 1 29 29 LEU H H 1 7.109 0.000 . 1 . . . . A 29 LEU H . 30928 1 305 . 1 . 1 29 29 LEU HA H 1 4.305 0.000 . 1 . . . . A 29 LEU HA . 30928 1 306 . 1 . 1 29 29 LEU HB2 H 1 1.526 0.000 . 1 . . . . A 29 LEU HB2 . 30928 1 307 . 1 . 1 29 29 LEU HB3 H 1 1.397 0.000 . 1 . . . . A 29 LEU HB3 . 30928 1 308 . 1 . 1 29 29 LEU HG H 1 1.522 0.000 . 1 . . . . A 29 LEU HG . 30928 1 309 . 1 . 1 29 29 LEU HD11 H 1 0.793 0.000 . 1 . . . . A 29 LEU HD11 . 30928 1 310 . 1 . 1 29 29 LEU HD12 H 1 0.793 0.000 . 1 . . . . A 29 LEU HD12 . 30928 1 311 . 1 . 1 29 29 LEU HD13 H 1 0.793 0.000 . 1 . . . . A 29 LEU HD13 . 30928 1 312 . 1 . 1 29 29 LEU HD21 H 1 0.836 0.000 . 1 . . . . A 29 LEU HD21 . 30928 1 313 . 1 . 1 29 29 LEU HD22 H 1 0.836 0.000 . 1 . . . . A 29 LEU HD22 . 30928 1 314 . 1 . 1 29 29 LEU HD23 H 1 0.836 0.000 . 1 . . . . A 29 LEU HD23 . 30928 1 315 . 1 . 1 29 29 LEU C C 13 176.289 0.000 . 1 . . . . A 29 LEU C . 30928 1 316 . 1 . 1 29 29 LEU CA C 13 54.500 0.000 . 1 . . . . A 29 LEU CA . 30928 1 317 . 1 . 1 29 29 LEU CB C 13 43.470 0.010 . 1 . . . . A 29 LEU CB . 30928 1 318 . 1 . 1 29 29 LEU CG C 13 27.205 0.000 . 1 . . . . A 29 LEU CG . 30928 1 319 . 1 . 1 29 29 LEU CD1 C 13 22.965 0.000 . 1 . . . . A 29 LEU CD1 . 30928 1 320 . 1 . 1 29 29 LEU CD2 C 13 25.215 0.000 . 1 . . . . A 29 LEU CD2 . 30928 1 321 . 1 . 1 29 29 LEU N N 15 116.522 0.000 . 1 . . . . A 29 LEU N . 30928 1 322 . 1 . 1 30 30 ASN H H 1 8.061 0.000 . 1 . . . . A 30 ASN H . 30928 1 323 . 1 . 1 30 30 ASN HA H 1 4.145 0.000 . 1 . . . . A 30 ASN HA . 30928 1 324 . 1 . 1 30 30 ASN HB2 H 1 3.126 0.000 . 2 . . . . A 30 ASN HB2 . 30928 1 325 . 1 . 1 30 30 ASN HB3 H 1 2.539 0.000 . 2 . . . . A 30 ASN HB3 . 30928 1 326 . 1 . 1 30 30 ASN C C 13 173.824 0.000 . 1 . . . . A 30 ASN C . 30928 1 327 . 1 . 1 30 30 ASN CA C 13 53.968 0.000 . 1 . . . . A 30 ASN CA . 30928 1 328 . 1 . 1 30 30 ASN CB C 13 37.705 0.016 . 1 . . . . A 30 ASN CB . 30928 1 329 . 1 . 1 30 30 ASN N N 15 117.753 0.000 . 1 . . . . A 30 ASN N . 30928 1 330 . 1 . 1 31 31 GLN H H 1 6.692 0.000 . 1 . . . . A 31 GLN H . 30928 1 331 . 1 . 1 31 31 GLN HA H 1 4.808 0.000 . 1 . . . . A 31 GLN HA . 30928 1 332 . 1 . 1 31 31 GLN HB2 H 1 1.585 0.000 . 1 . . . . A 31 GLN HB2 . 30928 1 333 . 1 . 1 31 31 GLN HB3 H 1 2.014 0.000 . 1 . . . . A 31 GLN HB3 . 30928 1 334 . 1 . 1 31 31 GLN HG2 H 1 2.254 0.000 . 2 . . . . A 31 GLN HG2 . 30928 1 335 . 1 . 1 31 31 GLN HG3 H 1 2.254 0.000 . 2 . . . . A 31 GLN HG3 . 30928 1 336 . 1 . 1 31 31 GLN CA C 13 52.218 0.000 . 1 . . . . A 31 GLN CA . 30928 1 337 . 1 . 1 31 31 GLN CB C 13 32.209 0.007 . 1 . . . . A 31 GLN CB . 30928 1 338 . 1 . 1 31 31 GLN CG C 13 32.935 0.000 . 1 . . . . A 31 GLN CG . 30928 1 339 . 1 . 1 31 31 GLN N N 15 114.589 0.000 . 1 . . . . A 31 GLN N . 30928 1 340 . 1 . 1 32 32 PRO HA H 1 4.824 0.000 . 1 . . . . A 32 PRO HA . 30928 1 341 . 1 . 1 32 32 PRO HB2 H 1 1.502 0.000 . 1 . . . . A 32 PRO HB2 . 30928 1 342 . 1 . 1 32 32 PRO HB3 H 1 1.814 0.000 . 1 . . . . A 32 PRO HB3 . 30928 1 343 . 1 . 1 32 32 PRO HG2 H 1 1.332 0.000 . 2 . . . . A 32 PRO HG2 . 30928 1 344 . 1 . 1 32 32 PRO HD2 H 1 3.641 0.000 . 1 . . . . A 32 PRO HD2 . 30928 1 345 . 1 . 1 32 32 PRO HD3 H 1 3.535 0.000 . 1 . . . . A 32 PRO HD3 . 30928 1 346 . 1 . 1 32 32 PRO C C 13 174.928 0.000 . 1 . . . . A 32 PRO C . 30928 1 347 . 1 . 1 32 32 PRO CA C 13 61.713 0.000 . 1 . . . . A 32 PRO CA . 30928 1 348 . 1 . 1 32 32 PRO CB C 13 33.173 0.003 . 1 . . . . A 32 PRO CB . 30928 1 349 . 1 . 1 32 32 PRO CG C 13 26.053 0.000 . 1 . . . . A 32 PRO CG . 30928 1 350 . 1 . 1 32 32 PRO CD C 13 50.212 0.000 . 1 . . . . A 32 PRO CD . 30928 1 351 . 1 . 1 33 33 ALA H H 1 9.198 0.000 . 1 . . . . A 33 ALA H . 30928 1 352 . 1 . 1 33 33 ALA HA H 1 4.725 0.000 . 1 . . . . A 33 ALA HA . 30928 1 353 . 1 . 1 33 33 ALA HB1 H 1 1.211 0.000 . 1 . . . . A 33 ALA HB1 . 30928 1 354 . 1 . 1 33 33 ALA HB2 H 1 1.211 0.000 . 1 . . . . A 33 ALA HB2 . 30928 1 355 . 1 . 1 33 33 ALA HB3 H 1 1.211 0.000 . 1 . . . . A 33 ALA HB3 . 30928 1 356 . 1 . 1 33 33 ALA C C 13 175.254 0.000 . 1 . . . . A 33 ALA C . 30928 1 357 . 1 . 1 33 33 ALA CA C 13 51.166 0.000 . 1 . . . . A 33 ALA CA . 30928 1 358 . 1 . 1 33 33 ALA CB C 13 22.722 0.000 . 1 . . . . A 33 ALA CB . 30928 1 359 . 1 . 1 33 33 ALA N N 15 123.623 0.000 . 1 . . . . A 33 ALA N . 30928 1 360 . 1 . 1 34 34 CYS H H 1 8.661 0.000 . 1 . . . . A 34 CYS H . 30928 1 361 . 1 . 1 34 34 CYS HA H 1 5.502 0.000 . 1 . . . . A 34 CYS HA . 30928 1 362 . 1 . 1 34 34 CYS HB2 H 1 2.650 0.000 . 2 . . . . A 34 CYS HB2 . 30928 1 363 . 1 . 1 34 34 CYS HB3 H 1 2.489 0.000 . 2 . . . . A 34 CYS HB3 . 30928 1 364 . 1 . 1 34 34 CYS C C 13 174.189 0.000 . 1 . . . . A 34 CYS C . 30928 1 365 . 1 . 1 34 34 CYS CA C 13 53.267 0.000 . 1 . . . . A 34 CYS CA . 30928 1 366 . 1 . 1 34 34 CYS CB C 13 44.027 0.006 . 1 . . . . A 34 CYS CB . 30928 1 367 . 1 . 1 34 34 CYS N N 15 114.814 0.000 . 1 . . . . A 34 CYS N . 30928 1 368 . 1 . 1 35 35 ARG H H 1 9.424 0.000 . 1 . . . . A 35 ARG H . 30928 1 369 . 1 . 1 35 35 ARG HA H 1 4.701 0.000 . 1 . . . . A 35 ARG HA . 30928 1 370 . 1 . 1 35 35 ARG HB2 H 1 1.531 0.000 . 1 . . . . A 35 ARG HB2 . 30928 1 371 . 1 . 1 35 35 ARG HB3 H 1 2.138 0.000 . 1 . . . . A 35 ARG HB3 . 30928 1 372 . 1 . 1 35 35 ARG HG2 H 1 1.718 0.000 . 2 . . . . A 35 ARG HG2 . 30928 1 373 . 1 . 1 35 35 ARG HG3 H 1 1.718 0.000 . 2 . . . . A 35 ARG HG3 . 30928 1 374 . 1 . 1 35 35 ARG HD2 H 1 2.880 0.000 . 2 . . . . A 35 ARG HD2 . 30928 1 375 . 1 . 1 35 35 ARG HE H 1 7.372 0.000 . 1 . . . . A 35 ARG HE . 30928 1 376 . 1 . 1 35 35 ARG C C 13 176.617 0.000 . 1 . . . . A 35 ARG C . 30928 1 377 . 1 . 1 35 35 ARG CA C 13 54.733 0.000 . 1 . . . . A 35 ARG CA . 30928 1 378 . 1 . 1 35 35 ARG CB C 13 30.912 0.046 . 1 . . . . A 35 ARG CB . 30928 1 379 . 1 . 1 35 35 ARG CG C 13 26.693 0.000 . 1 . . . . A 35 ARG CG . 30928 1 380 . 1 . 1 35 35 ARG CD C 13 43.639 0.000 . 1 . . . . A 35 ARG CD . 30928 1 381 . 1 . 1 35 35 ARG N N 15 126.847 0.000 . 1 . . . . A 35 ARG N . 30928 1 382 . 1 . 1 35 35 ARG NE N 15 83.514 0.000 . 1 . . . . A 35 ARG NE . 30928 1 383 . 1 . 1 36 36 CYS H H 1 9.165 0.000 . 1 . . . . A 36 CYS H . 30928 1 384 . 1 . 1 36 36 CYS HA H 1 4.864 0.000 . 1 . . . . A 36 CYS HA . 30928 1 385 . 1 . 1 36 36 CYS HB2 H 1 3.305 0.000 . 2 . . . . A 36 CYS HB2 . 30928 1 386 . 1 . 1 36 36 CYS HB3 H 1 2.757 0.000 . 2 . . . . A 36 CYS HB3 . 30928 1 387 . 1 . 1 36 36 CYS C C 13 176.286 0.000 . 1 . . . . A 36 CYS C . 30928 1 388 . 1 . 1 36 36 CYS CA C 13 54.248 0.000 . 1 . . . . A 36 CYS CA . 30928 1 389 . 1 . 1 36 36 CYS CB C 13 35.121 0.030 . 1 . . . . A 36 CYS CB . 30928 1 390 . 1 . 1 36 36 CYS N N 15 125.796 0.000 . 1 . . . . A 36 CYS N . 30928 1 391 . 1 . 1 37 37 TYR H H 1 8.174 0.000 . 1 . . . . A 37 TYR H . 30928 1 392 . 1 . 1 37 37 TYR HA H 1 5.080 0.000 . 1 . . . . A 37 TYR HA . 30928 1 393 . 1 . 1 37 37 TYR HB2 H 1 2.734 0.000 . 1 . . . . A 37 TYR HB2 . 30928 1 394 . 1 . 1 37 37 TYR HB3 H 1 3.598 0.000 . 1 . . . . A 37 TYR HB3 . 30928 1 395 . 1 . 1 37 37 TYR HD1 H 1 6.995 0.000 . 1 . . . . A 37 TYR HD1 . 30928 1 396 . 1 . 1 37 37 TYR HD2 H 1 6.995 0.000 . 1 . . . . A 37 TYR HD2 . 30928 1 397 . 1 . 1 37 37 TYR HE1 H 1 6.863 0.000 . 1 . . . . A 37 TYR HE1 . 30928 1 398 . 1 . 1 37 37 TYR HE2 H 1 6.863 0.000 . 1 . . . . A 37 TYR HE2 . 30928 1 399 . 1 . 1 37 37 TYR C C 13 175.768 0.000 . 1 . . . . A 37 TYR C . 30928 1 400 . 1 . 1 37 37 TYR CA C 13 54.769 0.000 . 1 . . . . A 37 TYR CA . 30928 1 401 . 1 . 1 37 37 TYR CB C 13 37.255 0.004 . 1 . . . . A 37 TYR CB . 30928 1 402 . 1 . 1 37 37 TYR CD1 C 13 131.782 0.000 . 1 . . . . A 37 TYR CD1 . 30928 1 403 . 1 . 1 37 37 TYR CE1 C 13 118.459 0.000 . 1 . . . . A 37 TYR CE1 . 30928 1 404 . 1 . 1 37 37 TYR N N 15 122.866 0.000 . 1 . . . . A 37 TYR N . 30928 1 405 . 1 . 1 38 38 THR H H 1 8.514 0.000 . 1 . . . . A 38 THR H . 30928 1 406 . 1 . 1 38 38 THR HA H 1 4.021 0.000 . 1 . . . . A 38 THR HA . 30928 1 407 . 1 . 1 38 38 THR HB H 1 4.020 0.000 . 1 . . . . A 38 THR HB . 30928 1 408 . 1 . 1 38 38 THR HG21 H 1 1.269 0.000 . 1 . . . . A 38 THR HG21 . 30928 1 409 . 1 . 1 38 38 THR HG22 H 1 1.269 0.000 . 1 . . . . A 38 THR HG22 . 30928 1 410 . 1 . 1 38 38 THR HG23 H 1 1.269 0.000 . 1 . . . . A 38 THR HG23 . 30928 1 411 . 1 . 1 38 38 THR C C 13 175.136 0.000 . 1 . . . . A 38 THR C . 30928 1 412 . 1 . 1 38 38 THR CA C 13 65.253 0.000 . 1 . . . . A 38 THR CA . 30928 1 413 . 1 . 1 38 38 THR CB C 13 69.234 0.000 . 1 . . . . A 38 THR CB . 30928 1 414 . 1 . 1 38 38 THR CG2 C 13 21.712 0.000 . 1 . . . . A 38 THR CG2 . 30928 1 415 . 1 . 1 38 38 THR N N 15 116.945 0.000 . 1 . . . . A 38 THR N . 30928 1 416 . 1 . 1 39 39 GLY H H 1 8.939 0.000 . 1 . . . . A 39 GLY H . 30928 1 417 . 1 . 1 39 39 GLY HA2 H 1 4.100 0.000 . 1 . . . . A 39 GLY HA2 . 30928 1 418 . 1 . 1 39 39 GLY HA3 H 1 3.580 0.000 . 1 . . . . A 39 GLY HA3 . 30928 1 419 . 1 . 1 39 39 GLY C C 13 173.366 0.000 . 1 . . . . A 39 GLY C . 30928 1 420 . 1 . 1 39 39 GLY CA C 13 44.854 0.047 . 1 . . . . A 39 GLY CA . 30928 1 421 . 1 . 1 39 39 GLY N N 15 114.666 0.000 . 1 . . . . A 39 GLY N . 30928 1 422 . 1 . 1 40 40 TYR H H 1 7.958 0.000 . 1 . . . . A 40 TYR H . 30928 1 423 . 1 . 1 40 40 TYR HA H 1 5.577 0.000 . 1 . . . . A 40 TYR HA . 30928 1 424 . 1 . 1 40 40 TYR HB2 H 1 2.857 0.000 . 1 . . . . A 40 TYR HB2 . 30928 1 425 . 1 . 1 40 40 TYR HB3 H 1 2.916 0.000 . 1 . . . . A 40 TYR HB3 . 30928 1 426 . 1 . 1 40 40 TYR HD1 H 1 6.710 0.000 . 1 . . . . A 40 TYR HD1 . 30928 1 427 . 1 . 1 40 40 TYR HD2 H 1 6.710 0.000 . 1 . . . . A 40 TYR HD2 . 30928 1 428 . 1 . 1 40 40 TYR HE1 H 1 6.297 0.000 . 1 . . . . A 40 TYR HE1 . 30928 1 429 . 1 . 1 40 40 TYR HE2 H 1 6.297 0.000 . 1 . . . . A 40 TYR HE2 . 30928 1 430 . 1 . 1 40 40 TYR C C 13 174.742 0.000 . 1 . . . . A 40 TYR C . 30928 1 431 . 1 . 1 40 40 TYR CA C 13 56.970 0.000 . 1 . . . . A 40 TYR CA . 30928 1 432 . 1 . 1 40 40 TYR CB C 13 41.467 0.002 . 1 . . . . A 40 TYR CB . 30928 1 433 . 1 . 1 40 40 TYR CD1 C 13 134.306 0.000 . 1 . . . . A 40 TYR CD1 . 30928 1 434 . 1 . 1 40 40 TYR CE1 C 13 116.778 0.000 . 1 . . . . A 40 TYR CE1 . 30928 1 435 . 1 . 1 40 40 TYR N N 15 118.402 0.000 . 1 . . . . A 40 TYR N . 30928 1 436 . 1 . 1 41 41 TYR H H 1 9.112 0.000 . 1 . . . . A 41 TYR H . 30928 1 437 . 1 . 1 41 41 TYR HA H 1 5.179 0.000 . 1 . . . . A 41 TYR HA . 30928 1 438 . 1 . 1 41 41 TYR HB2 H 1 3.052 0.000 . 1 . . . . A 41 TYR HB2 . 30928 1 439 . 1 . 1 41 41 TYR HB3 H 1 3.084 0.000 . 1 . . . . A 41 TYR HB3 . 30928 1 440 . 1 . 1 41 41 TYR HD1 H 1 6.940 0.000 . 1 . . . . A 41 TYR HD1 . 30928 1 441 . 1 . 1 41 41 TYR HD2 H 1 6.940 0.000 . 1 . . . . A 41 TYR HD2 . 30928 1 442 . 1 . 1 41 41 TYR HE1 H 1 6.612 0.000 . 1 . . . . A 41 TYR HE1 . 30928 1 443 . 1 . 1 41 41 TYR HE2 H 1 6.612 0.000 . 1 . . . . A 41 TYR HE2 . 30928 1 444 . 1 . 1 41 41 TYR C C 13 173.191 0.000 . 1 . . . . A 41 TYR C . 30928 1 445 . 1 . 1 41 41 TYR CA C 13 57.046 0.000 . 1 . . . . A 41 TYR CA . 30928 1 446 . 1 . 1 41 41 TYR CB C 13 40.262 0.000 . 1 . . . . A 41 TYR CB . 30928 1 447 . 1 . 1 41 41 TYR CD1 C 13 133.938 0.000 . 1 . . . . A 41 TYR CD1 . 30928 1 448 . 1 . 1 41 41 TYR CE1 C 13 118.043 0.000 . 1 . . . . A 41 TYR CE1 . 30928 1 449 . 1 . 1 41 41 TYR N N 15 117.054 0.000 . 1 . . . . A 41 TYR N . 30928 1 450 . 1 . 1 42 42 GLY H H 1 8.554 0.000 . 1 . . . . A 42 GLY H . 30928 1 451 . 1 . 1 42 42 GLY HA2 H 1 4.995 0.000 . 2 . . . . A 42 GLY HA2 . 30928 1 452 . 1 . 1 42 42 GLY HA3 H 1 4.072 0.000 . 2 . . . . A 42 GLY HA3 . 30928 1 453 . 1 . 1 42 42 GLY C C 13 177.271 0.000 . 1 . . . . A 42 GLY C . 30928 1 454 . 1 . 1 42 42 GLY CA C 13 43.409 0.039 . 1 . . . . A 42 GLY CA . 30928 1 455 . 1 . 1 42 42 GLY N N 15 108.299 0.000 . 1 . . . . A 42 GLY N . 30928 1 456 . 1 . 1 43 43 SER H H 1 9.566 0.000 . 1 . . . . A 43 SER H . 30928 1 457 . 1 . 1 43 43 SER HA H 1 4.248 0.000 . 1 . . . . A 43 SER HA . 30928 1 458 . 1 . 1 43 43 SER HB2 H 1 4.042 0.000 . 2 . . . . A 43 SER HB2 . 30928 1 459 . 1 . 1 43 43 SER HB3 H 1 3.998 0.000 . 2 . . . . A 43 SER HB3 . 30928 1 460 . 1 . 1 43 43 SER C C 13 175.335 0.000 . 1 . . . . A 43 SER C . 30928 1 461 . 1 . 1 43 43 SER CA C 13 62.480 0.000 . 1 . . . . A 43 SER CA . 30928 1 462 . 1 . 1 43 43 SER CB C 13 62.985 0.001 . 1 . . . . A 43 SER CB . 30928 1 463 . 1 . 1 43 43 SER N N 15 121.215 0.000 . 1 . . . . A 43 SER N . 30928 1 464 . 1 . 1 44 44 ARG H H 1 8.613 0.000 . 1 . . . . A 44 ARG H . 30928 1 465 . 1 . 1 44 44 ARG HA H 1 4.609 0.000 . 1 . . . . A 44 ARG HA . 30928 1 466 . 1 . 1 44 44 ARG HB2 H 1 2.179 0.000 . 2 . . . . A 44 ARG HB2 . 30928 1 467 . 1 . 1 44 44 ARG HB3 H 1 2.179 0.000 . 2 . . . . A 44 ARG HB3 . 30928 1 468 . 1 . 1 44 44 ARG HG2 H 1 1.261 0.000 . 2 . . . . A 44 ARG HG2 . 30928 1 469 . 1 . 1 44 44 ARG HG3 H 1 0.506 0.000 . 2 . . . . A 44 ARG HG3 . 30928 1 470 . 1 . 1 44 44 ARG HD3 H 1 2.806 0.000 . 2 . . . . A 44 ARG HD3 . 30928 1 471 . 1 . 1 44 44 ARG HE H 1 7.486 0.000 . 1 . . . . A 44 ARG HE . 30928 1 472 . 1 . 1 44 44 ARG C C 13 175.732 0.000 . 1 . . . . A 44 ARG C . 30928 1 473 . 1 . 1 44 44 ARG CA C 13 54.871 0.000 . 1 . . . . A 44 ARG CA . 30928 1 474 . 1 . 1 44 44 ARG CB C 13 29.721 0.000 . 1 . . . . A 44 ARG CB . 30928 1 475 . 1 . 1 44 44 ARG CG C 13 26.218 0.002 . 1 . . . . A 44 ARG CG . 30928 1 476 . 1 . 1 44 44 ARG CD C 13 43.406 0.000 . 1 . . . . A 44 ARG CD . 30928 1 477 . 1 . 1 44 44 ARG N N 15 118.225 0.000 . 1 . . . . A 44 ARG N . 30928 1 478 . 1 . 1 44 44 ARG NE N 15 85.758 0.000 . 1 . . . . A 44 ARG NE . 30928 1 479 . 1 . 1 45 45 CYS H H 1 7.945 0.000 . 1 . . . . A 45 CYS H . 30928 1 480 . 1 . 1 45 45 CYS HA H 1 3.659 0.000 . 1 . . . . A 45 CYS HA . 30928 1 481 . 1 . 1 45 45 CYS HB2 H 1 2.779 0.000 . 1 . . . . A 45 CYS HB2 . 30928 1 482 . 1 . 1 45 45 CYS HB3 H 1 2.179 0.000 . 1 . . . . A 45 CYS HB3 . 30928 1 483 . 1 . 1 45 45 CYS C C 13 174.218 0.000 . 1 . . . . A 45 CYS C . 30928 1 484 . 1 . 1 45 45 CYS CA C 13 55.028 0.000 . 1 . . . . A 45 CYS CA . 30928 1 485 . 1 . 1 45 45 CYS CB C 13 37.686 0.008 . 1 . . . . A 45 CYS CB . 30928 1 486 . 1 . 1 45 45 CYS N N 15 115.725 0.000 . 1 . . . . A 45 CYS N . 30928 1 487 . 1 . 1 46 46 GLU H H 1 10.391 0.000 . 1 . . . . A 46 GLU H . 30928 1 488 . 1 . 1 46 46 GLU HA H 1 4.105 0.000 . 1 . . . . A 46 GLU HA . 30928 1 489 . 1 . 1 46 46 GLU HB2 H 1 1.785 0.000 . 1 . . . . A 46 GLU HB2 . 30928 1 490 . 1 . 1 46 46 GLU HB3 H 1 1.456 0.000 . 1 . . . . A 46 GLU HB3 . 30928 1 491 . 1 . 1 46 46 GLU HG2 H 1 1.922 0.000 . 2 . . . . A 46 GLU HG2 . 30928 1 492 . 1 . 1 46 46 GLU HG3 H 1 1.020 0.000 . 2 . . . . A 46 GLU HG3 . 30928 1 493 . 1 . 1 46 46 GLU C C 13 176.298 0.000 . 1 . . . . A 46 GLU C . 30928 1 494 . 1 . 1 46 46 GLU CA C 13 57.000 0.000 . 1 . . . . A 46 GLU CA . 30928 1 495 . 1 . 1 46 46 GLU CB C 13 29.746 0.001 . 1 . . . . A 46 GLU CB . 30928 1 496 . 1 . 1 46 46 GLU CG C 13 34.267 0.001 . 1 . . . . A 46 GLU CG . 30928 1 497 . 1 . 1 46 46 GLU N N 15 118.247 0.000 . 1 . . . . A 46 GLU N . 30928 1 498 . 1 . 1 47 47 HIS H H 1 8.694 0.000 . 1 . . . . A 47 HIS H . 30928 1 499 . 1 . 1 47 47 HIS HA H 1 4.971 0.000 . 1 . . . . A 47 HIS HA . 30928 1 500 . 1 . 1 47 47 HIS HB2 H 1 1.543 0.000 . 1 . . . . A 47 HIS HB2 . 30928 1 501 . 1 . 1 47 47 HIS HB3 H 1 2.430 0.000 . 1 . . . . A 47 HIS HB3 . 30928 1 502 . 1 . 1 47 47 HIS HD2 H 1 6.726 0.000 . 1 . . . . A 47 HIS HD2 . 30928 1 503 . 1 . 1 47 47 HIS C C 13 176.463 0.000 . 1 . . . . A 47 HIS C . 30928 1 504 . 1 . 1 47 47 HIS CA C 13 54.179 0.000 . 1 . . . . A 47 HIS CA . 30928 1 505 . 1 . 1 47 47 HIS CB C 13 30.436 0.046 . 1 . . . . A 47 HIS CB . 30928 1 506 . 1 . 1 47 47 HIS CD2 C 13 120.412 0.000 . 1 . . . . A 47 HIS CD2 . 30928 1 507 . 1 . 1 47 47 HIS N N 15 121.624 0.000 . 1 . . . . A 47 HIS N . 30928 1 508 . 1 . 1 48 48 ILE H H 1 8.380 0.000 . 1 . . . . A 48 ILE H . 30928 1 509 . 1 . 1 48 48 ILE HA H 1 4.225 0.000 . 1 . . . . A 48 ILE HA . 30928 1 510 . 1 . 1 48 48 ILE HB H 1 1.549 0.000 . 1 . . . . A 48 ILE HB . 30928 1 511 . 1 . 1 48 48 ILE HG12 H 1 0.894 0.000 . 1 . . . . A 48 ILE HG12 . 30928 1 512 . 1 . 1 48 48 ILE HG13 H 1 1.361 0.000 . 1 . . . . A 48 ILE HG13 . 30928 1 513 . 1 . 1 48 48 ILE HG21 H 1 0.687 0.000 . 1 . . . . A 48 ILE HG21 . 30928 1 514 . 1 . 1 48 48 ILE HG22 H 1 0.687 0.000 . 1 . . . . A 48 ILE HG22 . 30928 1 515 . 1 . 1 48 48 ILE HG23 H 1 0.687 0.000 . 1 . . . . A 48 ILE HG23 . 30928 1 516 . 1 . 1 48 48 ILE HD11 H 1 0.717 0.000 . 1 . . . . A 48 ILE HD11 . 30928 1 517 . 1 . 1 48 48 ILE HD12 H 1 0.717 0.000 . 1 . . . . A 48 ILE HD12 . 30928 1 518 . 1 . 1 48 48 ILE HD13 H 1 0.717 0.000 . 1 . . . . A 48 ILE HD13 . 30928 1 519 . 1 . 1 48 48 ILE C C 13 175.478 0.000 . 1 . . . . A 48 ILE C . 30928 1 520 . 1 . 1 48 48 ILE CA C 13 60.763 0.000 . 1 . . . . A 48 ILE CA . 30928 1 521 . 1 . 1 48 48 ILE CB C 13 39.733 0.000 . 1 . . . . A 48 ILE CB . 30928 1 522 . 1 . 1 48 48 ILE CG1 C 13 28.437 0.005 . 1 . . . . A 48 ILE CG1 . 30928 1 523 . 1 . 1 48 48 ILE CG2 C 13 16.676 0.000 . 1 . . . . A 48 ILE CG2 . 30928 1 524 . 1 . 1 48 48 ILE CD1 C 13 13.685 0.000 . 1 . . . . A 48 ILE CD1 . 30928 1 525 . 1 . 1 48 48 ILE N N 15 120.615 0.000 . 1 . . . . A 48 ILE N . 30928 1 526 . 1 . 1 49 49 ASP H H 1 8.411 0.000 . 1 . . . . A 49 ASP H . 30928 1 527 . 1 . 1 49 49 ASP HA H 1 4.606 0.000 . 1 . . . . A 49 ASP HA . 30928 1 528 . 1 . 1 49 49 ASP HB2 H 1 2.516 0.000 . 2 . . . . A 49 ASP HB2 . 30928 1 529 . 1 . 1 49 49 ASP HB3 H 1 2.367 0.000 . 2 . . . . A 49 ASP HB3 . 30928 1 530 . 1 . 1 49 49 ASP C C 13 175.604 0.000 . 1 . . . . A 49 ASP C . 30928 1 531 . 1 . 1 49 49 ASP CA C 13 54.456 0.000 . 1 . . . . A 49 ASP CA . 30928 1 532 . 1 . 1 49 49 ASP CB C 13 41.073 0.074 . 1 . . . . A 49 ASP CB . 30928 1 533 . 1 . 1 49 49 ASP N N 15 126.807 0.000 . 1 . . . . A 49 ASP N . 30928 1 534 . 1 . 1 50 50 HIS H H 1 8.197 0.000 . 1 . . . . A 50 HIS H . 30928 1 535 . 1 . 1 50 50 HIS HA H 1 4.646 0.000 . 1 . . . . A 50 HIS HA . 30928 1 536 . 1 . 1 50 50 HIS HB2 H 1 3.218 0.000 . 2 . . . . A 50 HIS HB2 . 30928 1 537 . 1 . 1 50 50 HIS HB3 H 1 3.152 0.000 . 2 . . . . A 50 HIS HB3 . 30928 1 538 . 1 . 1 50 50 HIS HD2 H 1 7.263 0.000 . 1 . . . . A 50 HIS HD2 . 30928 1 539 . 1 . 1 50 50 HIS HE1 H 1 8.283 0.000 . 1 . . . . A 50 HIS HE1 . 30928 1 540 . 1 . 1 50 50 HIS C C 13 173.214 0.000 . 1 . . . . A 50 HIS C . 30928 1 541 . 1 . 1 50 50 HIS CA C 13 54.976 0.000 . 1 . . . . A 50 HIS CA . 30928 1 542 . 1 . 1 50 50 HIS CB C 13 29.487 0.000 . 1 . . . . A 50 HIS CB . 30928 1 543 . 1 . 1 50 50 HIS CD2 C 13 120.319 0.000 . 1 . . . . A 50 HIS CD2 . 30928 1 544 . 1 . 1 50 50 HIS CE1 C 13 137.843 0.000 . 1 . . . . A 50 HIS CE1 . 30928 1 545 . 1 . 1 50 50 HIS N N 15 119.113 0.000 . 1 . . . . A 50 HIS N . 30928 1 546 . 1 . 1 51 51 ASN H H 1 8.282 0.000 . 1 . . . . A 51 ASN H . 30928 1 547 . 1 . 1 51 51 ASN HA H 1 4.358 0.000 . 1 . . . . A 51 ASN HA . 30928 1 548 . 1 . 1 51 51 ASN HB2 H 1 2.737 0.000 . 2 . . . . A 51 ASN HB2 . 30928 1 549 . 1 . 1 51 51 ASN HB3 H 1 2.518 0.000 . 2 . . . . A 51 ASN HB3 . 30928 1 550 . 1 . 1 51 51 ASN CA C 13 56.207 0.000 . 1 . . . . A 51 ASN CA . 30928 1 551 . 1 . 1 51 51 ASN CB C 13 40.089 0.067 . 1 . . . . A 51 ASN CB . 30928 1 552 . 1 . 1 51 51 ASN N N 15 125.574 0.000 . 1 . . . . A 51 ASN N . 30928 1 stop_ save_