################################### # 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 11377 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11377 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11377 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XWINNMR . . 11377 1 2 $NMRPipe . . 11377 1 3 $NMRView . . 11377 1 4 $Kujira . . 11377 1 5 $CYANA . . 11377 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 7 7 GLY H H 1 8.315 0.030 . 1 . . . . 7 GLY H . 11377 1 2 . 1 1 7 7 GLY HA2 H 1 3.969 0.030 . 1 . . . . 7 GLY HA2 . 11377 1 3 . 1 1 7 7 GLY HA3 H 1 3.969 0.030 . 1 . . . . 7 GLY HA3 . 11377 1 4 . 1 1 7 7 GLY C C 13 174.075 0.300 . 1 . . . . 7 GLY C . 11377 1 5 . 1 1 7 7 GLY CA C 13 45.471 0.300 . 1 . . . . 7 GLY CA . 11377 1 6 . 1 1 7 7 GLY N N 15 108.832 0.300 . 1 . . . . 7 GLY N . 11377 1 7 . 1 1 8 8 LEU H H 1 8.044 0.030 . 1 . . . . 8 LEU H . 11377 1 8 . 1 1 8 8 LEU HA H 1 4.336 0.030 . 1 . . . . 8 LEU HA . 11377 1 9 . 1 1 8 8 LEU HB2 H 1 1.615 0.030 . 1 . . . . 8 LEU HB2 . 11377 1 10 . 1 1 8 8 LEU HB3 H 1 1.615 0.030 . 1 . . . . 8 LEU HB3 . 11377 1 11 . 1 1 8 8 LEU HD11 H 1 0.914 0.030 . 1 . . . . 8 LEU HD1 . 11377 1 12 . 1 1 8 8 LEU HD12 H 1 0.914 0.030 . 1 . . . . 8 LEU HD1 . 11377 1 13 . 1 1 8 8 LEU HD13 H 1 0.914 0.030 . 1 . . . . 8 LEU HD1 . 11377 1 14 . 1 1 8 8 LEU HD21 H 1 0.859 0.030 . 1 . . . . 8 LEU HD2 . 11377 1 15 . 1 1 8 8 LEU HD22 H 1 0.859 0.030 . 1 . . . . 8 LEU HD2 . 11377 1 16 . 1 1 8 8 LEU HD23 H 1 0.859 0.030 . 1 . . . . 8 LEU HD2 . 11377 1 17 . 1 1 8 8 LEU HG H 1 1.610 0.030 . 1 . . . . 8 LEU HG . 11377 1 18 . 1 1 8 8 LEU C C 13 177.469 0.300 . 1 . . . . 8 LEU C . 11377 1 19 . 1 1 8 8 LEU CA C 13 55.506 0.300 . 1 . . . . 8 LEU CA . 11377 1 20 . 1 1 8 8 LEU CB C 13 42.309 0.300 . 1 . . . . 8 LEU CB . 11377 1 21 . 1 1 8 8 LEU CD1 C 13 25.027 0.300 . 2 . . . . 8 LEU CD1 . 11377 1 22 . 1 1 8 8 LEU CD2 C 13 23.433 0.300 . 2 . . . . 8 LEU CD2 . 11377 1 23 . 1 1 8 8 LEU CG C 13 26.983 0.300 . 1 . . . . 8 LEU CG . 11377 1 24 . 1 1 8 8 LEU N N 15 121.650 0.300 . 1 . . . . 8 LEU N . 11377 1 25 . 1 1 9 9 ARG H H 1 8.350 0.030 . 1 . . . . 9 ARG H . 11377 1 26 . 1 1 9 9 ARG HA H 1 4.327 0.030 . 1 . . . . 9 ARG HA . 11377 1 27 . 1 1 9 9 ARG HB2 H 1 1.861 0.030 . 2 . . . . 9 ARG HB2 . 11377 1 28 . 1 1 9 9 ARG HB3 H 1 1.796 0.030 . 2 . . . . 9 ARG HB3 . 11377 1 29 . 1 1 9 9 ARG C C 13 176.477 0.300 . 1 . . . . 9 ARG C . 11377 1 30 . 1 1 9 9 ARG CA C 13 56.345 0.300 . 1 . . . . 9 ARG CA . 11377 1 31 . 1 1 9 9 ARG CB C 13 30.687 0.300 . 1 . . . . 9 ARG CB . 11377 1 32 . 1 1 9 9 ARG CD C 13 43.244 0.300 . 1 . . . . 9 ARG CD . 11377 1 33 . 1 1 9 9 ARG CG C 13 26.963 0.300 . 1 . . . . 9 ARG CG . 11377 1 34 . 1 1 9 9 ARG N N 15 121.788 0.300 . 1 . . . . 9 ARG N . 11377 1 35 . 1 1 10 10 GLU H H 1 8.446 0.030 . 1 . . . . 10 GLU H . 11377 1 36 . 1 1 10 10 GLU HA H 1 4.264 0.030 . 1 . . . . 10 GLU HA . 11377 1 37 . 1 1 10 10 GLU HB2 H 1 1.953 0.030 . 2 . . . . 10 GLU HB2 . 11377 1 38 . 1 1 10 10 GLU HB3 H 1 2.068 0.030 . 2 . . . . 10 GLU HB3 . 11377 1 39 . 1 1 10 10 GLU HG2 H 1 2.271 0.030 . 1 . . . . 10 GLU HG2 . 11377 1 40 . 1 1 10 10 GLU HG3 H 1 2.271 0.030 . 1 . . . . 10 GLU HG3 . 11377 1 41 . 1 1 10 10 GLU C C 13 176.128 0.300 . 1 . . . . 10 GLU C . 11377 1 42 . 1 1 10 10 GLU CA C 13 56.677 0.300 . 1 . . . . 10 GLU CA . 11377 1 43 . 1 1 10 10 GLU CB C 13 30.288 0.300 . 1 . . . . 10 GLU CB . 11377 1 44 . 1 1 10 10 GLU CG C 13 36.378 0.300 . 1 . . . . 10 GLU CG . 11377 1 45 . 1 1 10 10 GLU N N 15 122.062 0.300 . 1 . . . . 10 GLU N . 11377 1 46 . 1 1 11 11 ALA H H 1 8.288 0.030 . 1 . . . . 11 ALA H . 11377 1 47 . 1 1 11 11 ALA HA H 1 4.341 0.030 . 1 . . . . 11 ALA HA . 11377 1 48 . 1 1 11 11 ALA HB1 H 1 1.437 0.030 . 1 . . . . 11 ALA HB . 11377 1 49 . 1 1 11 11 ALA HB2 H 1 1.437 0.030 . 1 . . . . 11 ALA HB . 11377 1 50 . 1 1 11 11 ALA HB3 H 1 1.437 0.030 . 1 . . . . 11 ALA HB . 11377 1 51 . 1 1 11 11 ALA C C 13 177.941 0.300 . 1 . . . . 11 ALA C . 11377 1 52 . 1 1 11 11 ALA CA C 13 52.703 0.300 . 1 . . . . 11 ALA CA . 11377 1 53 . 1 1 11 11 ALA CB C 13 19.402 0.300 . 1 . . . . 11 ALA CB . 11377 1 54 . 1 1 11 11 ALA N N 15 124.661 0.300 . 1 . . . . 11 ALA N . 11377 1 55 . 1 1 12 12 GLY H H 1 8.318 0.030 . 1 . . . . 12 GLY H . 11377 1 56 . 1 1 12 12 GLY HA2 H 1 3.882 0.030 . 2 . . . . 12 GLY HA2 . 11377 1 57 . 1 1 12 12 GLY HA3 H 1 3.926 0.030 . 2 . . . . 12 GLY HA3 . 11377 1 58 . 1 1 12 12 GLY C C 13 173.122 0.300 . 1 . . . . 12 GLY C . 11377 1 59 . 1 1 12 12 GLY CA C 13 45.322 0.300 . 1 . . . . 12 GLY CA . 11377 1 60 . 1 1 12 12 GLY N N 15 107.915 0.300 . 1 . . . . 12 GLY N . 11377 1 61 . 1 1 13 13 ILE H H 1 7.671 0.030 . 1 . . . . 13 ILE H . 11377 1 62 . 1 1 13 13 ILE HA H 1 4.290 0.030 . 1 . . . . 13 ILE HA . 11377 1 63 . 1 1 13 13 ILE HB H 1 1.815 0.030 . 1 . . . . 13 ILE HB . 11377 1 64 . 1 1 13 13 ILE HD11 H 1 0.785 0.030 . 1 . . . . 13 ILE HD1 . 11377 1 65 . 1 1 13 13 ILE HD12 H 1 0.785 0.030 . 1 . . . . 13 ILE HD1 . 11377 1 66 . 1 1 13 13 ILE HD13 H 1 0.785 0.030 . 1 . . . . 13 ILE HD1 . 11377 1 67 . 1 1 13 13 ILE HG12 H 1 1.410 0.030 . 2 . . . . 13 ILE HG12 . 11377 1 68 . 1 1 13 13 ILE HG13 H 1 1.099 0.030 . 2 . . . . 13 ILE HG13 . 11377 1 69 . 1 1 13 13 ILE HG21 H 1 0.821 0.030 . 1 . . . . 13 ILE HG2 . 11377 1 70 . 1 1 13 13 ILE HG22 H 1 0.821 0.030 . 1 . . . . 13 ILE HG2 . 11377 1 71 . 1 1 13 13 ILE HG23 H 1 0.821 0.030 . 1 . . . . 13 ILE HG2 . 11377 1 72 . 1 1 13 13 ILE C C 13 175.346 0.300 . 1 . . . . 13 ILE C . 11377 1 73 . 1 1 13 13 ILE CA C 13 60.649 0.300 . 1 . . . . 13 ILE CA . 11377 1 74 . 1 1 13 13 ILE CB C 13 39.127 0.300 . 1 . . . . 13 ILE CB . 11377 1 75 . 1 1 13 13 ILE CD1 C 13 12.928 0.300 . 1 . . . . 13 ILE CD1 . 11377 1 76 . 1 1 13 13 ILE CG1 C 13 26.824 0.300 . 1 . . . . 13 ILE CG1 . 11377 1 77 . 1 1 13 13 ILE CG2 C 13 18.148 0.300 . 1 . . . . 13 ILE CG2 . 11377 1 78 . 1 1 13 13 ILE N N 15 118.161 0.300 . 1 . . . . 13 ILE N . 11377 1 79 . 1 1 14 14 LEU H H 1 8.646 0.030 . 1 . . . . 14 LEU H . 11377 1 80 . 1 1 14 14 LEU HA H 1 4.931 0.030 . 1 . . . . 14 LEU HA . 11377 1 81 . 1 1 14 14 LEU HB2 H 1 1.730 0.030 . 2 . . . . 14 LEU HB2 . 11377 1 82 . 1 1 14 14 LEU HB3 H 1 1.448 0.030 . 2 . . . . 14 LEU HB3 . 11377 1 83 . 1 1 14 14 LEU HD11 H 1 0.738 0.030 . 1 . . . . 14 LEU HD1 . 11377 1 84 . 1 1 14 14 LEU HD12 H 1 0.738 0.030 . 1 . . . . 14 LEU HD1 . 11377 1 85 . 1 1 14 14 LEU HD13 H 1 0.738 0.030 . 1 . . . . 14 LEU HD1 . 11377 1 86 . 1 1 14 14 LEU HD21 H 1 0.825 0.030 . 1 . . . . 14 LEU HD2 . 11377 1 87 . 1 1 14 14 LEU HD22 H 1 0.825 0.030 . 1 . . . . 14 LEU HD2 . 11377 1 88 . 1 1 14 14 LEU HD23 H 1 0.825 0.030 . 1 . . . . 14 LEU HD2 . 11377 1 89 . 1 1 14 14 LEU HG H 1 1.534 0.030 . 1 . . . . 14 LEU HG . 11377 1 90 . 1 1 14 14 LEU C C 13 174.036 0.300 . 1 . . . . 14 LEU C . 11377 1 91 . 1 1 14 14 LEU CA C 13 51.802 0.300 . 1 . . . . 14 LEU CA . 11377 1 92 . 1 1 14 14 LEU CB C 13 43.552 0.300 . 1 . . . . 14 LEU CB . 11377 1 93 . 1 1 14 14 LEU CD1 C 13 25.524 0.300 . 2 . . . . 14 LEU CD1 . 11377 1 94 . 1 1 14 14 LEU CD2 C 13 23.641 0.300 . 2 . . . . 14 LEU CD2 . 11377 1 95 . 1 1 14 14 LEU CG C 13 26.533 0.300 . 1 . . . . 14 LEU CG . 11377 1 96 . 1 1 14 14 LEU N N 15 126.663 0.300 . 1 . . . . 14 LEU N . 11377 1 97 . 1 1 15 15 PRO HA H 1 4.998 0.030 . 1 . . . . 15 PRO HA . 11377 1 98 . 1 1 15 15 PRO HB2 H 1 2.045 0.030 . 2 . . . . 15 PRO HB2 . 11377 1 99 . 1 1 15 15 PRO HB3 H 1 1.722 0.030 . 2 . . . . 15 PRO HB3 . 11377 1 100 . 1 1 15 15 PRO HD2 H 1 3.808 0.030 . 2 . . . . 15 PRO HD2 . 11377 1 101 . 1 1 15 15 PRO HD3 H 1 3.762 0.030 . 2 . . . . 15 PRO HD3 . 11377 1 102 . 1 1 15 15 PRO HG2 H 1 1.909 0.030 . 2 . . . . 15 PRO HG2 . 11377 1 103 . 1 1 15 15 PRO HG3 H 1 2.115 0.030 . 2 . . . . 15 PRO HG3 . 11377 1 104 . 1 1 15 15 PRO C C 13 176.920 0.300 . 1 . . . . 15 PRO C . 11377 1 105 . 1 1 15 15 PRO CA C 13 61.254 0.300 . 1 . . . . 15 PRO CA . 11377 1 106 . 1 1 15 15 PRO CB C 13 32.050 0.300 . 1 . . . . 15 PRO CB . 11377 1 107 . 1 1 15 15 PRO CD C 13 50.601 0.300 . 1 . . . . 15 PRO CD . 11377 1 108 . 1 1 15 15 PRO CG C 13 27.031 0.300 . 1 . . . . 15 PRO CG . 11377 1 109 . 1 1 16 16 CYS H H 1 9.102 0.030 . 1 . . . . 16 CYS H . 11377 1 110 . 1 1 16 16 CYS HA H 1 4.566 0.030 . 1 . . . . 16 CYS HA . 11377 1 111 . 1 1 16 16 CYS HB2 H 1 3.377 0.030 . 2 . . . . 16 CYS HB2 . 11377 1 112 . 1 1 16 16 CYS HB3 H 1 2.951 0.030 . 2 . . . . 16 CYS HB3 . 11377 1 113 . 1 1 16 16 CYS C C 13 178.537 0.300 . 1 . . . . 16 CYS C . 11377 1 114 . 1 1 16 16 CYS CA C 13 59.648 0.300 . 1 . . . . 16 CYS CA . 11377 1 115 . 1 1 16 16 CYS CB C 13 29.791 0.300 . 1 . . . . 16 CYS CB . 11377 1 116 . 1 1 16 16 CYS N N 15 123.730 0.300 . 1 . . . . 16 CYS N . 11377 1 117 . 1 1 17 17 GLY H H 1 9.587 0.030 . 1 . . . . 17 GLY H . 11377 1 118 . 1 1 17 17 GLY HA2 H 1 3.951 0.030 . 2 . . . . 17 GLY HA2 . 11377 1 119 . 1 1 17 17 GLY HA3 H 1 4.014 0.030 . 2 . . . . 17 GLY HA3 . 11377 1 120 . 1 1 17 17 GLY C C 13 173.703 0.300 . 1 . . . . 17 GLY C . 11377 1 121 . 1 1 17 17 GLY CA C 13 46.847 0.300 . 1 . . . . 17 GLY CA . 11377 1 122 . 1 1 17 17 GLY N N 15 120.401 0.300 . 1 . . . . 17 GLY N . 11377 1 123 . 1 1 18 18 LEU H H 1 9.109 0.030 . 1 . . . . 18 LEU H . 11377 1 124 . 1 1 18 18 LEU HA H 1 4.460 0.030 . 1 . . . . 18 LEU HA . 11377 1 125 . 1 1 18 18 LEU HB2 H 1 0.989 0.030 . 1 . . . . 18 LEU HB2 . 11377 1 126 . 1 1 18 18 LEU HB3 H 1 0.989 0.030 . 1 . . . . 18 LEU HB3 . 11377 1 127 . 1 1 18 18 LEU HD11 H 1 0.633 0.030 . 1 . . . . 18 LEU HD1 . 11377 1 128 . 1 1 18 18 LEU HD12 H 1 0.633 0.030 . 1 . . . . 18 LEU HD1 . 11377 1 129 . 1 1 18 18 LEU HD13 H 1 0.633 0.030 . 1 . . . . 18 LEU HD1 . 11377 1 130 . 1 1 18 18 LEU HD21 H 1 0.647 0.030 . 1 . . . . 18 LEU HD2 . 11377 1 131 . 1 1 18 18 LEU HD22 H 1 0.647 0.030 . 1 . . . . 18 LEU HD2 . 11377 1 132 . 1 1 18 18 LEU HD23 H 1 0.647 0.030 . 1 . . . . 18 LEU HD2 . 11377 1 133 . 1 1 18 18 LEU HG H 1 1.431 0.030 . 1 . . . . 18 LEU HG . 11377 1 134 . 1 1 18 18 LEU C C 13 177.826 0.300 . 1 . . . . 18 LEU C . 11377 1 135 . 1 1 18 18 LEU CA C 13 56.306 0.300 . 1 . . . . 18 LEU CA . 11377 1 136 . 1 1 18 18 LEU CB C 13 42.529 0.300 . 1 . . . . 18 LEU CB . 11377 1 137 . 1 1 18 18 LEU CD1 C 13 23.432 0.300 . 2 . . . . 18 LEU CD1 . 11377 1 138 . 1 1 18 18 LEU CD2 C 13 24.829 0.300 . 2 . . . . 18 LEU CD2 . 11377 1 139 . 1 1 18 18 LEU CG C 13 27.427 0.300 . 1 . . . . 18 LEU CG . 11377 1 140 . 1 1 18 18 LEU N N 15 122.792 0.300 . 1 . . . . 18 LEU N . 11377 1 141 . 1 1 19 19 CYS H H 1 8.310 0.030 . 1 . . . . 19 CYS H . 11377 1 142 . 1 1 19 19 CYS HA H 1 5.173 0.030 . 1 . . . . 19 CYS HA . 11377 1 143 . 1 1 19 19 CYS HB2 H 1 3.472 0.030 . 2 . . . . 19 CYS HB2 . 11377 1 144 . 1 1 19 19 CYS HB3 H 1 2.896 0.030 . 2 . . . . 19 CYS HB3 . 11377 1 145 . 1 1 19 19 CYS C C 13 176.137 0.300 . 1 . . . . 19 CYS C . 11377 1 146 . 1 1 19 19 CYS CA C 13 58.700 0.300 . 1 . . . . 19 CYS CA . 11377 1 147 . 1 1 19 19 CYS CB C 13 32.519 0.300 . 1 . . . . 19 CYS CB . 11377 1 148 . 1 1 19 19 CYS N N 15 116.974 0.300 . 1 . . . . 19 CYS N . 11377 1 149 . 1 1 20 20 GLY H H 1 8.158 0.030 . 1 . . . . 20 GLY H . 11377 1 150 . 1 1 20 20 GLY HA2 H 1 4.232 0.030 . 2 . . . . 20 GLY HA2 . 11377 1 151 . 1 1 20 20 GLY HA3 H 1 3.854 0.030 . 2 . . . . 20 GLY HA3 . 11377 1 152 . 1 1 20 20 GLY C C 13 173.622 0.300 . 1 . . . . 20 GLY C . 11377 1 153 . 1 1 20 20 GLY CA C 13 46.208 0.300 . 1 . . . . 20 GLY CA . 11377 1 154 . 1 1 20 20 GLY N N 15 112.412 0.300 . 1 . . . . 20 GLY N . 11377 1 155 . 1 1 21 21 LYS H H 1 8.182 0.030 . 1 . . . . 21 LYS H . 11377 1 156 . 1 1 21 21 LYS HA H 1 4.055 0.030 . 1 . . . . 21 LYS HA . 11377 1 157 . 1 1 21 21 LYS HB2 H 1 1.648 0.030 . 2 . . . . 21 LYS HB2 . 11377 1 158 . 1 1 21 21 LYS HB3 H 1 1.323 0.030 . 2 . . . . 21 LYS HB3 . 11377 1 159 . 1 1 21 21 LYS HD2 H 1 1.402 0.030 . 2 . . . . 21 LYS HD2 . 11377 1 160 . 1 1 21 21 LYS HD3 H 1 1.548 0.030 . 2 . . . . 21 LYS HD3 . 11377 1 161 . 1 1 21 21 LYS HE2 H 1 2.834 0.030 . 2 . . . . 21 LYS HE2 . 11377 1 162 . 1 1 21 21 LYS HE3 H 1 2.947 0.030 . 2 . . . . 21 LYS HE3 . 11377 1 163 . 1 1 21 21 LYS HG2 H 1 1.018 0.030 . 2 . . . . 21 LYS HG2 . 11377 1 164 . 1 1 21 21 LYS HG3 H 1 1.408 0.030 . 2 . . . . 21 LYS HG3 . 11377 1 165 . 1 1 21 21 LYS C C 13 174.996 0.300 . 1 . . . . 21 LYS C . 11377 1 166 . 1 1 21 21 LYS CA C 13 58.255 0.300 . 1 . . . . 21 LYS CA . 11377 1 167 . 1 1 21 21 LYS CB C 13 33.796 0.300 . 1 . . . . 21 LYS CB . 11377 1 168 . 1 1 21 21 LYS CD C 13 29.419 0.300 . 1 . . . . 21 LYS CD . 11377 1 169 . 1 1 21 21 LYS CE C 13 42.154 0.300 . 1 . . . . 21 LYS CE . 11377 1 170 . 1 1 21 21 LYS CG C 13 25.851 0.300 . 1 . . . . 21 LYS CG . 11377 1 171 . 1 1 21 21 LYS N N 15 123.702 0.300 . 1 . . . . 21 LYS N . 11377 1 172 . 1 1 22 22 VAL H H 1 7.873 0.030 . 1 . . . . 22 VAL H . 11377 1 173 . 1 1 22 22 VAL HA H 1 4.300 0.030 . 1 . . . . 22 VAL HA . 11377 1 174 . 1 1 22 22 VAL HB H 1 1.749 0.030 . 1 . . . . 22 VAL HB . 11377 1 175 . 1 1 22 22 VAL HG11 H 1 0.842 0.030 . 1 . . . . 22 VAL HG1 . 11377 1 176 . 1 1 22 22 VAL HG12 H 1 0.842 0.030 . 1 . . . . 22 VAL HG1 . 11377 1 177 . 1 1 22 22 VAL HG13 H 1 0.842 0.030 . 1 . . . . 22 VAL HG1 . 11377 1 178 . 1 1 22 22 VAL HG21 H 1 0.762 0.030 . 1 . . . . 22 VAL HG2 . 11377 1 179 . 1 1 22 22 VAL HG22 H 1 0.762 0.030 . 1 . . . . 22 VAL HG2 . 11377 1 180 . 1 1 22 22 VAL HG23 H 1 0.762 0.030 . 1 . . . . 22 VAL HG2 . 11377 1 181 . 1 1 22 22 VAL C C 13 175.244 0.300 . 1 . . . . 22 VAL C . 11377 1 182 . 1 1 22 22 VAL CA C 13 62.289 0.300 . 1 . . . . 22 VAL CA . 11377 1 183 . 1 1 22 22 VAL CB C 13 33.661 0.300 . 1 . . . . 22 VAL CB . 11377 1 184 . 1 1 22 22 VAL CG1 C 13 20.719 0.300 . 2 . . . . 22 VAL CG1 . 11377 1 185 . 1 1 22 22 VAL CG2 C 13 22.165 0.300 . 2 . . . . 22 VAL CG2 . 11377 1 186 . 1 1 22 22 VAL N N 15 119.815 0.300 . 1 . . . . 22 VAL N . 11377 1 187 . 1 1 23 23 PHE H H 1 8.337 0.030 . 1 . . . . 23 PHE H . 11377 1 188 . 1 1 23 23 PHE HA H 1 4.609 0.030 . 1 . . . . 23 PHE HA . 11377 1 189 . 1 1 23 23 PHE HB2 H 1 2.928 0.030 . 2 . . . . 23 PHE HB2 . 11377 1 190 . 1 1 23 23 PHE HB3 H 1 3.182 0.030 . 2 . . . . 23 PHE HB3 . 11377 1 191 . 1 1 23 23 PHE HD1 H 1 7.291 0.030 . 1 . . . . 23 PHE HD1 . 11377 1 192 . 1 1 23 23 PHE HD2 H 1 7.291 0.030 . 1 . . . . 23 PHE HD2 . 11377 1 193 . 1 1 23 23 PHE HE1 H 1 6.727 0.030 . 1 . . . . 23 PHE HE1 . 11377 1 194 . 1 1 23 23 PHE HE2 H 1 6.727 0.030 . 1 . . . . 23 PHE HE2 . 11377 1 195 . 1 1 23 23 PHE HZ H 1 6.364 0.030 . 1 . . . . 23 PHE HZ . 11377 1 196 . 1 1 23 23 PHE CA C 13 57.319 0.300 . 1 . . . . 23 PHE CA . 11377 1 197 . 1 1 23 23 PHE CB C 13 43.268 0.300 . 1 . . . . 23 PHE CB . 11377 1 198 . 1 1 23 23 PHE CD1 C 13 132.425 0.300 . 1 . . . . 23 PHE CD1 . 11377 1 199 . 1 1 23 23 PHE CD2 C 13 132.425 0.300 . 1 . . . . 23 PHE CD2 . 11377 1 200 . 1 1 23 23 PHE CE1 C 13 130.382 0.300 . 1 . . . . 23 PHE CE1 . 11377 1 201 . 1 1 23 23 PHE CE2 C 13 130.382 0.300 . 1 . . . . 23 PHE CE2 . 11377 1 202 . 1 1 23 23 PHE CZ C 13 128.664 0.300 . 1 . . . . 23 PHE CZ . 11377 1 203 . 1 1 23 23 PHE N N 15 123.363 0.300 . 1 . . . . 23 PHE N . 11377 1 204 . 1 1 24 24 THR H H 1 8.873 0.030 . 1 . . . . 24 THR H . 11377 1 205 . 1 1 24 24 THR HA H 1 4.677 0.030 . 1 . . . . 24 THR HA . 11377 1 206 . 1 1 24 24 THR HB H 1 4.524 0.030 . 1 . . . . 24 THR HB . 11377 1 207 . 1 1 24 24 THR HG21 H 1 1.175 0.030 . 1 . . . . 24 THR HG2 . 11377 1 208 . 1 1 24 24 THR HG22 H 1 1.175 0.030 . 1 . . . . 24 THR HG2 . 11377 1 209 . 1 1 24 24 THR HG23 H 1 1.175 0.030 . 1 . . . . 24 THR HG2 . 11377 1 210 . 1 1 24 24 THR C C 13 173.901 0.300 . 1 . . . . 24 THR C . 11377 1 211 . 1 1 24 24 THR CA C 13 61.678 0.300 . 1 . . . . 24 THR CA . 11377 1 212 . 1 1 24 24 THR CB C 13 69.535 0.300 . 1 . . . . 24 THR CB . 11377 1 213 . 1 1 24 24 THR CG2 C 13 21.714 0.300 . 1 . . . . 24 THR CG2 . 11377 1 214 . 1 1 24 24 THR N N 15 108.756 0.300 . 1 . . . . 24 THR N . 11377 1 215 . 1 1 25 25 ASP H H 1 7.360 0.030 . 1 . . . . 25 ASP H . 11377 1 216 . 1 1 25 25 ASP HA H 1 4.910 0.030 . 1 . . . . 25 ASP HA . 11377 1 217 . 1 1 25 25 ASP HB2 H 1 2.816 0.030 . 1 . . . . 25 ASP HB2 . 11377 1 218 . 1 1 25 25 ASP HB3 H 1 2.816 0.030 . 1 . . . . 25 ASP HB3 . 11377 1 219 . 1 1 25 25 ASP C C 13 175.702 0.300 . 1 . . . . 25 ASP C . 11377 1 220 . 1 1 25 25 ASP CA C 13 53.151 0.300 . 1 . . . . 25 ASP CA . 11377 1 221 . 1 1 25 25 ASP CB C 13 44.600 0.300 . 1 . . . . 25 ASP CB . 11377 1 222 . 1 1 25 25 ASP N N 15 119.475 0.300 . 1 . . . . 25 ASP N . 11377 1 223 . 1 1 26 26 ALA H H 1 9.167 0.030 . 1 . . . . 26 ALA H . 11377 1 224 . 1 1 26 26 ALA HA H 1 3.934 0.030 . 1 . . . . 26 ALA HA . 11377 1 225 . 1 1 26 26 ALA HB1 H 1 1.449 0.030 . 1 . . . . 26 ALA HB . 11377 1 226 . 1 1 26 26 ALA HB2 H 1 1.449 0.030 . 1 . . . . 26 ALA HB . 11377 1 227 . 1 1 26 26 ALA HB3 H 1 1.449 0.030 . 1 . . . . 26 ALA HB . 11377 1 228 . 1 1 26 26 ALA C C 13 179.495 0.300 . 1 . . . . 26 ALA C . 11377 1 229 . 1 1 26 26 ALA CA C 13 55.163 0.300 . 1 . . . . 26 ALA CA . 11377 1 230 . 1 1 26 26 ALA CB C 13 18.615 0.300 . 1 . . . . 26 ALA CB . 11377 1 231 . 1 1 26 26 ALA N N 15 127.053 0.300 . 1 . . . . 26 ALA N . 11377 1 232 . 1 1 27 27 ASN H H 1 8.552 0.030 . 1 . . . . 27 ASN H . 11377 1 233 . 1 1 27 27 ASN HA H 1 4.480 0.030 . 1 . . . . 27 ASN HA . 11377 1 234 . 1 1 27 27 ASN HB2 H 1 2.992 0.030 . 2 . . . . 27 ASN HB2 . 11377 1 235 . 1 1 27 27 ASN HB3 H 1 2.800 0.030 . 2 . . . . 27 ASN HB3 . 11377 1 236 . 1 1 27 27 ASN HD21 H 1 7.031 0.030 . 2 . . . . 27 ASN HD21 . 11377 1 237 . 1 1 27 27 ASN HD22 H 1 7.910 0.030 . 2 . . . . 27 ASN HD22 . 11377 1 238 . 1 1 27 27 ASN C C 13 178.147 0.300 . 1 . . . . 27 ASN C . 11377 1 239 . 1 1 27 27 ASN CA C 13 56.457 0.300 . 1 . . . . 27 ASN CA . 11377 1 240 . 1 1 27 27 ASN CB C 13 37.977 0.300 . 1 . . . . 27 ASN CB . 11377 1 241 . 1 1 27 27 ASN N N 15 117.911 0.300 . 1 . . . . 27 ASN N . 11377 1 242 . 1 1 27 27 ASN ND2 N 15 114.792 0.300 . 1 . . . . 27 ASN ND2 . 11377 1 243 . 1 1 28 28 ARG H H 1 8.325 0.030 . 1 . . . . 28 ARG H . 11377 1 244 . 1 1 28 28 ARG HA H 1 4.029 0.030 . 1 . . . . 28 ARG HA . 11377 1 245 . 1 1 28 28 ARG HB2 H 1 2.112 0.030 . 2 . . . . 28 ARG HB2 . 11377 1 246 . 1 1 28 28 ARG HB3 H 1 2.045 0.030 . 2 . . . . 28 ARG HB3 . 11377 1 247 . 1 1 28 28 ARG HD2 H 1 3.377 0.030 . 1 . . . . 28 ARG HD2 . 11377 1 248 . 1 1 28 28 ARG HD3 H 1 3.377 0.030 . 1 . . . . 28 ARG HD3 . 11377 1 249 . 1 1 28 28 ARG HG2 H 1 1.796 0.030 . 2 . . . . 28 ARG HG2 . 11377 1 250 . 1 1 28 28 ARG HG3 H 1 1.973 0.030 . 2 . . . . 28 ARG HG3 . 11377 1 251 . 1 1 28 28 ARG C C 13 179.469 0.300 . 1 . . . . 28 ARG C . 11377 1 252 . 1 1 28 28 ARG CA C 13 58.981 0.300 . 1 . . . . 28 ARG CA . 11377 1 253 . 1 1 28 28 ARG CB C 13 29.922 0.300 . 1 . . . . 28 ARG CB . 11377 1 254 . 1 1 28 28 ARG CD C 13 43.100 0.300 . 1 . . . . 28 ARG CD . 11377 1 255 . 1 1 28 28 ARG CG C 13 28.246 0.300 . 1 . . . . 28 ARG CG . 11377 1 256 . 1 1 28 28 ARG N N 15 120.954 0.300 . 1 . . . . 28 ARG N . 11377 1 257 . 1 1 29 29 LEU H H 1 7.689 0.030 . 1 . . . . 29 LEU H . 11377 1 258 . 1 1 29 29 LEU HA H 1 3.019 0.030 . 1 . . . . 29 LEU HA . 11377 1 259 . 1 1 29 29 LEU HB2 H 1 1.837 0.030 . 2 . . . . 29 LEU HB2 . 11377 1 260 . 1 1 29 29 LEU HB3 H 1 1.203 0.030 . 2 . . . . 29 LEU HB3 . 11377 1 261 . 1 1 29 29 LEU HD11 H 1 0.899 0.030 . 1 . . . . 29 LEU HD1 . 11377 1 262 . 1 1 29 29 LEU HD12 H 1 0.899 0.030 . 1 . . . . 29 LEU HD1 . 11377 1 263 . 1 1 29 29 LEU HD13 H 1 0.899 0.030 . 1 . . . . 29 LEU HD1 . 11377 1 264 . 1 1 29 29 LEU HD21 H 1 0.865 0.030 . 1 . . . . 29 LEU HD2 . 11377 1 265 . 1 1 29 29 LEU HD22 H 1 0.865 0.030 . 1 . . . . 29 LEU HD2 . 11377 1 266 . 1 1 29 29 LEU HD23 H 1 0.865 0.030 . 1 . . . . 29 LEU HD2 . 11377 1 267 . 1 1 29 29 LEU HG H 1 1.404 0.030 . 1 . . . . 29 LEU HG . 11377 1 268 . 1 1 29 29 LEU C C 13 177.430 0.300 . 1 . . . . 29 LEU C . 11377 1 269 . 1 1 29 29 LEU CA C 13 58.102 0.300 . 1 . . . . 29 LEU CA . 11377 1 270 . 1 1 29 29 LEU CB C 13 40.742 0.300 . 1 . . . . 29 LEU CB . 11377 1 271 . 1 1 29 29 LEU CD1 C 13 26.743 0.300 . 2 . . . . 29 LEU CD1 . 11377 1 272 . 1 1 29 29 LEU CD2 C 13 22.541 0.300 . 2 . . . . 29 LEU CD2 . 11377 1 273 . 1 1 29 29 LEU CG C 13 26.822 0.300 . 1 . . . . 29 LEU CG . 11377 1 274 . 1 1 29 29 LEU N N 15 121.117 0.300 . 1 . . . . 29 LEU N . 11377 1 275 . 1 1 30 30 ARG H H 1 7.978 0.030 . 1 . . . . 30 ARG H . 11377 1 276 . 1 1 30 30 ARG HA H 1 4.138 0.030 . 1 . . . . 30 ARG HA . 11377 1 277 . 1 1 30 30 ARG HB2 H 1 1.931 0.030 . 2 . . . . 30 ARG HB2 . 11377 1 278 . 1 1 30 30 ARG HB3 H 1 1.992 0.030 . 2 . . . . 30 ARG HB3 . 11377 1 279 . 1 1 30 30 ARG HD2 H 1 3.246 0.030 . 1 . . . . 30 ARG HD2 . 11377 1 280 . 1 1 30 30 ARG HD3 H 1 3.246 0.030 . 1 . . . . 30 ARG HD3 . 11377 1 281 . 1 1 30 30 ARG HG2 H 1 1.796 0.030 . 2 . . . . 30 ARG HG2 . 11377 1 282 . 1 1 30 30 ARG HG3 H 1 1.714 0.030 . 2 . . . . 30 ARG HG3 . 11377 1 283 . 1 1 30 30 ARG C C 13 179.688 0.300 . 1 . . . . 30 ARG C . 11377 1 284 . 1 1 30 30 ARG CA C 13 59.495 0.300 . 1 . . . . 30 ARG CA . 11377 1 285 . 1 1 30 30 ARG CB C 13 30.119 0.300 . 1 . . . . 30 ARG CB . 11377 1 286 . 1 1 30 30 ARG CD C 13 43.426 0.300 . 1 . . . . 30 ARG CD . 11377 1 287 . 1 1 30 30 ARG CG C 13 27.624 0.300 . 1 . . . . 30 ARG CG . 11377 1 288 . 1 1 30 30 ARG N N 15 119.076 0.300 . 1 . . . . 30 ARG N . 11377 1 289 . 1 1 31 31 GLN H H 1 7.781 0.030 . 1 . . . . 31 GLN H . 11377 1 290 . 1 1 31 31 GLN HA H 1 4.027 0.030 . 1 . . . . 31 GLN HA . 11377 1 291 . 1 1 31 31 GLN HB2 H 1 2.084 0.030 . 1 . . . . 31 GLN HB2 . 11377 1 292 . 1 1 31 31 GLN HB3 H 1 2.084 0.030 . 1 . . . . 31 GLN HB3 . 11377 1 293 . 1 1 31 31 GLN HE21 H 1 7.377 0.030 . 2 . . . . 31 GLN HE21 . 11377 1 294 . 1 1 31 31 GLN HE22 H 1 6.820 0.030 . 2 . . . . 31 GLN HE22 . 11377 1 295 . 1 1 31 31 GLN HG2 H 1 2.521 0.030 . 2 . . . . 31 GLN HG2 . 11377 1 296 . 1 1 31 31 GLN HG3 H 1 2.356 0.030 . 2 . . . . 31 GLN HG3 . 11377 1 297 . 1 1 31 31 GLN C C 13 178.140 0.300 . 1 . . . . 31 GLN C . 11377 1 298 . 1 1 31 31 GLN CA C 13 58.828 0.300 . 1 . . . . 31 GLN CA . 11377 1 299 . 1 1 31 31 GLN CB C 13 28.538 0.300 . 1 . . . . 31 GLN CB . 11377 1 300 . 1 1 31 31 GLN CG C 13 33.899 0.300 . 1 . . . . 31 GLN CG . 11377 1 301 . 1 1 31 31 GLN N N 15 118.175 0.300 . 1 . . . . 31 GLN N . 11377 1 302 . 1 1 31 31 GLN NE2 N 15 111.678 0.300 . 1 . . . . 31 GLN NE2 . 11377 1 303 . 1 1 32 32 HIS H H 1 7.692 0.030 . 1 . . . . 32 HIS H . 11377 1 304 . 1 1 32 32 HIS HA H 1 4.211 0.030 . 1 . . . . 32 HIS HA . 11377 1 305 . 1 1 32 32 HIS HB2 H 1 2.896 0.030 . 2 . . . . 32 HIS HB2 . 11377 1 306 . 1 1 32 32 HIS HB3 H 1 3.100 0.030 . 2 . . . . 32 HIS HB3 . 11377 1 307 . 1 1 32 32 HIS HD2 H 1 7.098 0.030 . 1 . . . . 32 HIS HD2 . 11377 1 308 . 1 1 32 32 HIS HE1 H 1 7.945 0.030 . 1 . . . . 32 HIS HE1 . 11377 1 309 . 1 1 32 32 HIS C C 13 177.743 0.300 . 1 . . . . 32 HIS C . 11377 1 310 . 1 1 32 32 HIS CA C 13 59.508 0.300 . 1 . . . . 32 HIS CA . 11377 1 311 . 1 1 32 32 HIS CB C 13 28.387 0.300 . 1 . . . . 32 HIS CB . 11377 1 312 . 1 1 32 32 HIS CD2 C 13 127.840 0.300 . 1 . . . . 32 HIS CD2 . 11377 1 313 . 1 1 32 32 HIS CE1 C 13 139.408 0.300 . 1 . . . . 32 HIS CE1 . 11377 1 314 . 1 1 32 32 HIS N N 15 119.355 0.300 . 1 . . . . 32 HIS N . 11377 1 315 . 1 1 33 33 GLU H H 1 9.034 0.030 . 1 . . . . 33 GLU H . 11377 1 316 . 1 1 33 33 GLU HA H 1 3.817 0.030 . 1 . . . . 33 GLU HA . 11377 1 317 . 1 1 33 33 GLU HB2 H 1 2.285 0.030 . 2 . . . . 33 GLU HB2 . 11377 1 318 . 1 1 33 33 GLU HB3 H 1 2.031 0.030 . 2 . . . . 33 GLU HB3 . 11377 1 319 . 1 1 33 33 GLU HG2 H 1 2.716 0.030 . 2 . . . . 33 GLU HG2 . 11377 1 320 . 1 1 33 33 GLU HG3 H 1 2.647 0.030 . 2 . . . . 33 GLU HG3 . 11377 1 321 . 1 1 33 33 GLU C C 13 179.589 0.300 . 1 . . . . 33 GLU C . 11377 1 322 . 1 1 33 33 GLU CA C 13 60.666 0.300 . 1 . . . . 33 GLU CA . 11377 1 323 . 1 1 33 33 GLU CB C 13 29.905 0.300 . 1 . . . . 33 GLU CB . 11377 1 324 . 1 1 33 33 GLU CG C 13 38.051 0.300 . 1 . . . . 33 GLU CG . 11377 1 325 . 1 1 33 33 GLU N N 15 119.761 0.300 . 1 . . . . 33 GLU N . 11377 1 326 . 1 1 34 34 ALA H H 1 7.664 0.030 . 1 . . . . 34 ALA H . 11377 1 327 . 1 1 34 34 ALA HA H 1 4.188 0.030 . 1 . . . . 34 ALA HA . 11377 1 328 . 1 1 34 34 ALA HB1 H 1 1.498 0.030 . 1 . . . . 34 ALA HB . 11377 1 329 . 1 1 34 34 ALA HB2 H 1 1.498 0.030 . 1 . . . . 34 ALA HB . 11377 1 330 . 1 1 34 34 ALA HB3 H 1 1.498 0.030 . 1 . . . . 34 ALA HB . 11377 1 331 . 1 1 34 34 ALA C C 13 180.012 0.300 . 1 . . . . 34 ALA C . 11377 1 332 . 1 1 34 34 ALA CA C 13 54.530 0.300 . 1 . . . . 34 ALA CA . 11377 1 333 . 1 1 34 34 ALA CB C 13 18.022 0.300 . 1 . . . . 34 ALA CB . 11377 1 334 . 1 1 34 34 ALA N N 15 120.597 0.300 . 1 . . . . 34 ALA N . 11377 1 335 . 1 1 35 35 GLN H H 1 7.650 0.030 . 1 . . . . 35 GLN H . 11377 1 336 . 1 1 35 35 GLN HA H 1 4.108 0.030 . 1 . . . . 35 GLN HA . 11377 1 337 . 1 1 35 35 GLN HB2 H 1 2.010 0.030 . 1 . . . . 35 GLN HB2 . 11377 1 338 . 1 1 35 35 GLN HB3 H 1 2.010 0.030 . 1 . . . . 35 GLN HB3 . 11377 1 339 . 1 1 35 35 GLN HG2 H 1 2.465 0.030 . 1 . . . . 35 GLN HG2 . 11377 1 340 . 1 1 35 35 GLN HG3 H 1 2.465 0.030 . 1 . . . . 35 GLN HG3 . 11377 1 341 . 1 1 35 35 GLN C C 13 177.706 0.300 . 1 . . . . 35 GLN C . 11377 1 342 . 1 1 35 35 GLN CA C 13 57.167 0.300 . 1 . . . . 35 GLN CA . 11377 1 343 . 1 1 35 35 GLN CB C 13 28.029 0.300 . 1 . . . . 35 GLN CB . 11377 1 344 . 1 1 35 35 GLN CG C 13 34.022 0.300 . 1 . . . . 35 GLN CG . 11377 1 345 . 1 1 35 35 GLN N N 15 116.782 0.300 . 1 . . . . 35 GLN N . 11377 1 346 . 1 1 36 36 HIS H H 1 7.361 0.030 . 1 . . . . 36 HIS H . 11377 1 347 . 1 1 36 36 HIS HA H 1 4.487 0.030 . 1 . . . . 36 HIS HA . 11377 1 348 . 1 1 36 36 HIS HB2 H 1 3.303 0.030 . 2 . . . . 36 HIS HB2 . 11377 1 349 . 1 1 36 36 HIS HB3 H 1 3.096 0.030 . 2 . . . . 36 HIS HB3 . 11377 1 350 . 1 1 36 36 HIS HD2 H 1 6.619 0.030 . 1 . . . . 36 HIS HD2 . 11377 1 351 . 1 1 36 36 HIS HE1 H 1 8.027 0.030 . 1 . . . . 36 HIS HE1 . 11377 1 352 . 1 1 36 36 HIS C C 13 176.008 0.300 . 1 . . . . 36 HIS C . 11377 1 353 . 1 1 36 36 HIS CA C 13 57.565 0.300 . 1 . . . . 36 HIS CA . 11377 1 354 . 1 1 36 36 HIS CB C 13 29.069 0.300 . 1 . . . . 36 HIS CB . 11377 1 355 . 1 1 36 36 HIS CD2 C 13 127.477 0.300 . 1 . . . . 36 HIS CD2 . 11377 1 356 . 1 1 36 36 HIS CE1 C 13 139.846 0.300 . 1 . . . . 36 HIS CE1 . 11377 1 357 . 1 1 36 36 HIS N N 15 116.701 0.300 . 1 . . . . 36 HIS N . 11377 1 358 . 1 1 37 37 GLY H H 1 7.896 0.030 . 1 . . . . 37 GLY H . 11377 1 359 . 1 1 37 37 GLY HA2 H 1 4.005 0.030 . 1 . . . . 37 GLY HA2 . 11377 1 360 . 1 1 37 37 GLY HA3 H 1 4.005 0.030 . 1 . . . . 37 GLY HA3 . 11377 1 361 . 1 1 37 37 GLY CA C 13 45.574 0.300 . 1 . . . . 37 GLY CA . 11377 1 362 . 1 1 37 37 GLY N N 15 107.189 0.300 . 1 . . . . 37 GLY N . 11377 1 363 . 1 1 38 38 VAL H H 1 7.790 0.030 . 1 . . . . 38 VAL H . 11377 1 364 . 1 1 38 38 VAL HA H 1 4.200 0.030 . 1 . . . . 38 VAL HA . 11377 1 365 . 1 1 38 38 VAL HB H 1 2.116 0.030 . 1 . . . . 38 VAL HB . 11377 1 366 . 1 1 38 38 VAL HG11 H 1 0.936 0.030 . 1 . . . . 38 VAL HG1 . 11377 1 367 . 1 1 38 38 VAL HG12 H 1 0.936 0.030 . 1 . . . . 38 VAL HG1 . 11377 1 368 . 1 1 38 38 VAL HG13 H 1 0.936 0.030 . 1 . . . . 38 VAL HG1 . 11377 1 369 . 1 1 38 38 VAL HG21 H 1 0.940 0.030 . 1 . . . . 38 VAL HG2 . 11377 1 370 . 1 1 38 38 VAL HG22 H 1 0.940 0.030 . 1 . . . . 38 VAL HG2 . 11377 1 371 . 1 1 38 38 VAL HG23 H 1 0.940 0.030 . 1 . . . . 38 VAL HG2 . 11377 1 372 . 1 1 38 38 VAL CA C 13 62.632 0.300 . 1 . . . . 38 VAL CA . 11377 1 373 . 1 1 38 38 VAL CB C 13 32.646 0.300 . 1 . . . . 38 VAL CB . 11377 1 374 . 1 1 38 38 VAL CG1 C 13 20.590 0.300 . 2 . . . . 38 VAL CG1 . 11377 1 375 . 1 1 38 38 VAL CG2 C 13 21.247 0.300 . 2 . . . . 38 VAL CG2 . 11377 1 376 . 1 1 38 38 VAL N N 15 118.893 0.300 . 1 . . . . 38 VAL N . 11377 1 377 . 1 1 39 39 THR H H 1 8.231 0.030 . 1 . . . . 39 THR H . 11377 1 378 . 1 1 39 39 THR HA H 1 4.368 0.030 . 1 . . . . 39 THR HA . 11377 1 379 . 1 1 39 39 THR HB H 1 4.263 0.030 . 1 . . . . 39 THR HB . 11377 1 380 . 1 1 39 39 THR HG21 H 1 1.211 0.030 . 1 . . . . 39 THR HG2 . 11377 1 381 . 1 1 39 39 THR HG22 H 1 1.211 0.030 . 1 . . . . 39 THR HG2 . 11377 1 382 . 1 1 39 39 THR HG23 H 1 1.211 0.030 . 1 . . . . 39 THR HG2 . 11377 1 383 . 1 1 39 39 THR CA C 13 62.232 0.300 . 1 . . . . 39 THR CA . 11377 1 384 . 1 1 39 39 THR CB C 13 69.845 0.300 . 1 . . . . 39 THR CB . 11377 1 385 . 1 1 39 39 THR CG2 C 13 21.714 0.300 . 1 . . . . 39 THR CG2 . 11377 1 386 . 1 1 39 39 THR N N 15 117.264 0.300 . 1 . . . . 39 THR N . 11377 1 387 . 1 1 40 40 SER HA H 1 4.388 0.030 . 1 . . . . 40 SER HA . 11377 1 388 . 1 1 40 40 SER HB2 H 1 3.844 0.030 . 2 . . . . 40 SER HB2 . 11377 1 389 . 1 1 40 40 SER HB3 H 1 3.885 0.030 . 2 . . . . 40 SER HB3 . 11377 1 390 . 1 1 40 40 SER CA C 13 58.800 0.300 . 1 . . . . 40 SER CA . 11377 1 391 . 1 1 40 40 SER CB C 13 63.652 0.300 . 1 . . . . 40 SER CB . 11377 1 392 . 1 1 41 41 LEU H H 1 7.907 0.030 . 1 . . . . 41 LEU H . 11377 1 393 . 1 1 41 41 LEU HA H 1 4.737 0.030 . 1 . . . . 41 LEU HA . 11377 1 394 . 1 1 41 41 LEU HB2 H 1 1.583 0.030 . 1 . . . . 41 LEU HB2 . 11377 1 395 . 1 1 41 41 LEU HB3 H 1 1.583 0.030 . 1 . . . . 41 LEU HB3 . 11377 1 396 . 1 1 41 41 LEU HD11 H 1 0.903 0.030 . 1 . . . . 41 LEU HD1 . 11377 1 397 . 1 1 41 41 LEU HD12 H 1 0.903 0.030 . 1 . . . . 41 LEU HD1 . 11377 1 398 . 1 1 41 41 LEU HD13 H 1 0.903 0.030 . 1 . . . . 41 LEU HD1 . 11377 1 399 . 1 1 41 41 LEU CA C 13 53.650 0.300 . 1 . . . . 41 LEU CA . 11377 1 400 . 1 1 41 41 LEU CB C 13 42.331 0.300 . 1 . . . . 41 LEU CB . 11377 1 401 . 1 1 41 41 LEU CD1 C 13 23.048 0.300 . 2 . . . . 41 LEU CD1 . 11377 1 402 . 1 1 42 42 GLN H H 1 8.221 0.030 . 1 . . . . 42 GLN H . 11377 1 403 . 1 1 42 42 GLN HA H 1 4.282 0.030 . 1 . . . . 42 GLN HA . 11377 1 404 . 1 1 42 42 GLN HB2 H 1 2.097 0.030 . 2 . . . . 42 GLN HB2 . 11377 1 405 . 1 1 42 42 GLN HB3 H 1 2.011 0.030 . 2 . . . . 42 GLN HB3 . 11377 1 406 . 1 1 42 42 GLN HE21 H 1 7.495 0.030 . 2 . . . . 42 GLN HE21 . 11377 1 407 . 1 1 42 42 GLN HE22 H 1 6.838 0.030 . 2 . . . . 42 GLN HE22 . 11377 1 408 . 1 1 42 42 GLN HG2 H 1 2.356 0.030 . 1 . . . . 42 GLN HG2 . 11377 1 409 . 1 1 42 42 GLN HG3 H 1 2.356 0.030 . 1 . . . . 42 GLN HG3 . 11377 1 410 . 1 1 42 42 GLN CA C 13 56.042 0.300 . 1 . . . . 42 GLN CA . 11377 1 411 . 1 1 42 42 GLN CB C 13 29.119 0.300 . 1 . . . . 42 GLN CB . 11377 1 412 . 1 1 42 42 GLN CG C 13 33.947 0.300 . 1 . . . . 42 GLN CG . 11377 1 413 . 1 1 42 42 GLN N N 15 120.457 0.300 . 1 . . . . 42 GLN N . 11377 1 414 . 1 1 42 42 GLN NE2 N 15 112.266 0.300 . 1 . . . . 42 GLN NE2 . 11377 1 415 . 1 1 43 43 LEU HA H 1 4.343 0.030 . 1 . . . . 43 LEU HA . 11377 1 416 . 1 1 43 43 LEU HB2 H 1 1.637 0.030 . 1 . . . . 43 LEU HB2 . 11377 1 417 . 1 1 43 43 LEU HB3 H 1 1.637 0.030 . 1 . . . . 43 LEU HB3 . 11377 1 418 . 1 1 43 43 LEU HD21 H 1 0.874 0.030 . 1 . . . . 43 LEU HD2 . 11377 1 419 . 1 1 43 43 LEU HD22 H 1 0.874 0.030 . 1 . . . . 43 LEU HD2 . 11377 1 420 . 1 1 43 43 LEU HD23 H 1 0.874 0.030 . 1 . . . . 43 LEU HD2 . 11377 1 421 . 1 1 43 43 LEU C C 13 177.748 0.300 . 1 . . . . 43 LEU C . 11377 1 422 . 1 1 43 43 LEU CA C 13 55.399 0.300 . 1 . . . . 43 LEU CA . 11377 1 423 . 1 1 43 43 LEU CB C 13 42.284 0.300 . 1 . . . . 43 LEU CB . 11377 1 424 . 1 1 43 43 LEU CD2 C 13 23.352 0.300 . 2 . . . . 43 LEU CD2 . 11377 1 425 . 1 1 43 43 LEU CG C 13 26.261 0.300 . 1 . . . . 43 LEU CG . 11377 1 426 . 1 1 44 44 GLY H H 1 8.476 0.030 . 1 . . . . 44 GLY H . 11377 1 427 . 1 1 44 44 GLY HA2 H 1 3.972 0.030 . 1 . . . . 44 GLY HA2 . 11377 1 428 . 1 1 44 44 GLY HA3 H 1 3.972 0.030 . 1 . . . . 44 GLY HA3 . 11377 1 429 . 1 1 44 44 GLY C C 13 173.754 0.300 . 1 . . . . 44 GLY C . 11377 1 430 . 1 1 44 44 GLY CA C 13 45.367 0.300 . 1 . . . . 44 GLY CA . 11377 1 431 . 1 1 44 44 GLY N N 15 110.279 0.300 . 1 . . . . 44 GLY N . 11377 1 432 . 1 1 45 45 TYR H H 1 7.896 0.030 . 1 . . . . 45 TYR H . 11377 1 433 . 1 1 45 45 TYR HA H 1 4.563 0.030 . 1 . . . . 45 TYR HA . 11377 1 434 . 1 1 45 45 TYR HB2 H 1 3.016 0.030 . 2 . . . . 45 TYR HB2 . 11377 1 435 . 1 1 45 45 TYR HB3 H 1 2.960 0.030 . 2 . . . . 45 TYR HB3 . 11377 1 436 . 1 1 45 45 TYR HD1 H 1 7.061 0.030 . 1 . . . . 45 TYR HD1 . 11377 1 437 . 1 1 45 45 TYR HD2 H 1 7.061 0.030 . 1 . . . . 45 TYR HD2 . 11377 1 438 . 1 1 45 45 TYR HE1 H 1 6.807 0.030 . 1 . . . . 45 TYR HE1 . 11377 1 439 . 1 1 45 45 TYR HE2 H 1 6.807 0.030 . 1 . . . . 45 TYR HE2 . 11377 1 440 . 1 1 45 45 TYR C C 13 175.373 0.300 . 1 . . . . 45 TYR C . 11377 1 441 . 1 1 45 45 TYR CA C 13 57.931 0.300 . 1 . . . . 45 TYR CA . 11377 1 442 . 1 1 45 45 TYR CB C 13 38.763 0.300 . 1 . . . . 45 TYR CB . 11377 1 443 . 1 1 45 45 TYR CD1 C 13 133.123 0.300 . 1 . . . . 45 TYR CD1 . 11377 1 444 . 1 1 45 45 TYR CD2 C 13 133.123 0.300 . 1 . . . . 45 TYR CD2 . 11377 1 445 . 1 1 45 45 TYR CE1 C 13 118.271 0.300 . 1 . . . . 45 TYR CE1 . 11377 1 446 . 1 1 45 45 TYR CE2 C 13 118.271 0.300 . 1 . . . . 45 TYR CE2 . 11377 1 447 . 1 1 45 45 TYR N N 15 119.670 0.300 . 1 . . . . 45 TYR N . 11377 1 448 . 1 1 46 46 ILE H H 1 7.902 0.030 . 1 . . . . 46 ILE H . 11377 1 449 . 1 1 46 46 ILE HA H 1 4.121 0.030 . 1 . . . . 46 ILE HA . 11377 1 450 . 1 1 46 46 ILE HB H 1 1.776 0.030 . 1 . . . . 46 ILE HB . 11377 1 451 . 1 1 46 46 ILE HD11 H 1 0.870 0.030 . 1 . . . . 46 ILE HD1 . 11377 1 452 . 1 1 46 46 ILE HD12 H 1 0.870 0.030 . 1 . . . . 46 ILE HD1 . 11377 1 453 . 1 1 46 46 ILE HD13 H 1 0.870 0.030 . 1 . . . . 46 ILE HD1 . 11377 1 454 . 1 1 46 46 ILE HG12 H 1 1.406 0.030 . 2 . . . . 46 ILE HG12 . 11377 1 455 . 1 1 46 46 ILE HG13 H 1 1.097 0.030 . 2 . . . . 46 ILE HG13 . 11377 1 456 . 1 1 46 46 ILE HG21 H 1 0.846 0.030 . 1 . . . . 46 ILE HG2 . 11377 1 457 . 1 1 46 46 ILE HG22 H 1 0.846 0.030 . 1 . . . . 46 ILE HG2 . 11377 1 458 . 1 1 46 46 ILE HG23 H 1 0.846 0.030 . 1 . . . . 46 ILE HG2 . 11377 1 459 . 1 1 46 46 ILE C C 13 175.050 0.300 . 1 . . . . 46 ILE C . 11377 1 460 . 1 1 46 46 ILE CA C 13 60.895 0.300 . 1 . . . . 46 ILE CA . 11377 1 461 . 1 1 46 46 ILE CB C 13 39.252 0.300 . 1 . . . . 46 ILE CB . 11377 1 462 . 1 1 46 46 ILE CD1 C 13 13.010 0.300 . 1 . . . . 46 ILE CD1 . 11377 1 463 . 1 1 46 46 ILE CG1 C 13 27.179 0.300 . 1 . . . . 46 ILE CG1 . 11377 1 464 . 1 1 46 46 ILE CG2 C 13 17.489 0.300 . 1 . . . . 46 ILE CG2 . 11377 1 465 . 1 1 46 46 ILE N N 15 122.287 0.300 . 1 . . . . 46 ILE N . 11377 1 466 . 1 1 47 47 ASP H H 1 8.247 0.030 . 1 . . . . 47 ASP H . 11377 1 467 . 1 1 47 47 ASP HA H 1 4.592 0.030 . 1 . . . . 47 ASP HA . 11377 1 468 . 1 1 47 47 ASP HB2 H 1 2.687 0.030 . 2 . . . . 47 ASP HB2 . 11377 1 469 . 1 1 47 47 ASP HB3 H 1 2.533 0.030 . 2 . . . . 47 ASP HB3 . 11377 1 470 . 1 1 47 47 ASP C C 13 175.290 0.300 . 1 . . . . 47 ASP C . 11377 1 471 . 1 1 47 47 ASP CA C 13 54.133 0.300 . 1 . . . . 47 ASP CA . 11377 1 472 . 1 1 47 47 ASP CB C 13 41.352 0.300 . 1 . . . . 47 ASP CB . 11377 1 473 . 1 1 47 47 ASP N N 15 123.930 0.300 . 1 . . . . 47 ASP N . 11377 1 474 . 1 1 48 48 LEU H H 1 8.031 0.030 . 1 . . . . 48 LEU H . 11377 1 475 . 1 1 48 48 LEU HA H 1 4.606 0.030 . 1 . . . . 48 LEU HA . 11377 1 476 . 1 1 48 48 LEU HB2 H 1 1.542 0.030 . 1 . . . . 48 LEU HB2 . 11377 1 477 . 1 1 48 48 LEU HB3 H 1 1.542 0.030 . 1 . . . . 48 LEU HB3 . 11377 1 478 . 1 1 48 48 LEU HD11 H 1 0.910 0.030 . 1 . . . . 48 LEU HD1 . 11377 1 479 . 1 1 48 48 LEU HD12 H 1 0.910 0.030 . 1 . . . . 48 LEU HD1 . 11377 1 480 . 1 1 48 48 LEU HD13 H 1 0.910 0.030 . 1 . . . . 48 LEU HD1 . 11377 1 481 . 1 1 48 48 LEU HD21 H 1 0.889 0.030 . 1 . . . . 48 LEU HD2 . 11377 1 482 . 1 1 48 48 LEU HD22 H 1 0.889 0.030 . 1 . . . . 48 LEU HD2 . 11377 1 483 . 1 1 48 48 LEU HD23 H 1 0.889 0.030 . 1 . . . . 48 LEU HD2 . 11377 1 484 . 1 1 48 48 LEU HG H 1 1.639 0.030 . 1 . . . . 48 LEU HG . 11377 1 485 . 1 1 48 48 LEU C C 13 174.551 0.300 . 1 . . . . 48 LEU C . 11377 1 486 . 1 1 48 48 LEU CA C 13 52.820 0.300 . 1 . . . . 48 LEU CA . 11377 1 487 . 1 1 48 48 LEU CB C 13 42.232 0.300 . 1 . . . . 48 LEU CB . 11377 1 488 . 1 1 48 48 LEU CD1 C 13 25.259 0.300 . 2 . . . . 48 LEU CD1 . 11377 1 489 . 1 1 48 48 LEU CD2 C 13 23.501 0.300 . 2 . . . . 48 LEU CD2 . 11377 1 490 . 1 1 48 48 LEU CG C 13 26.960 0.300 . 1 . . . . 48 LEU CG . 11377 1 491 . 1 1 48 48 LEU N N 15 123.908 0.300 . 1 . . . . 48 LEU N . 11377 1 492 . 1 1 49 49 PRO HA H 1 4.585 0.030 . 1 . . . . 49 PRO HA . 11377 1 493 . 1 1 49 49 PRO HB2 H 1 2.404 0.030 . 2 . . . . 49 PRO HB2 . 11377 1 494 . 1 1 49 49 PRO HB3 H 1 2.181 0.030 . 2 . . . . 49 PRO HB3 . 11377 1 495 . 1 1 49 49 PRO HD2 H 1 3.590 0.030 . 2 . . . . 49 PRO HD2 . 11377 1 496 . 1 1 49 49 PRO HD3 H 1 3.809 0.030 . 2 . . . . 49 PRO HD3 . 11377 1 497 . 1 1 49 49 PRO HG2 H 1 1.945 0.030 . 2 . . . . 49 PRO HG2 . 11377 1 498 . 1 1 49 49 PRO HG3 H 1 1.869 0.030 . 2 . . . . 49 PRO HG3 . 11377 1 499 . 1 1 49 49 PRO CA C 13 62.369 0.300 . 1 . . . . 49 PRO CA . 11377 1 500 . 1 1 49 49 PRO CB C 13 34.764 0.300 . 1 . . . . 49 PRO CB . 11377 1 501 . 1 1 49 49 PRO CD C 13 50.456 0.300 . 1 . . . . 49 PRO CD . 11377 1 502 . 1 1 49 49 PRO CG C 13 24.755 0.300 . 1 . . . . 49 PRO CG . 11377 1 503 . 1 1 50 50 PRO HA H 1 4.678 0.030 . 1 . . . . 50 PRO HA . 11377 1 504 . 1 1 50 50 PRO HB2 H 1 2.324 0.030 . 2 . . . . 50 PRO HB2 . 11377 1 505 . 1 1 50 50 PRO HB3 H 1 1.894 0.030 . 2 . . . . 50 PRO HB3 . 11377 1 506 . 1 1 50 50 PRO HD2 H 1 3.821 0.030 . 2 . . . . 50 PRO HD2 . 11377 1 507 . 1 1 50 50 PRO HD3 H 1 3.615 0.030 . 2 . . . . 50 PRO HD3 . 11377 1 508 . 1 1 50 50 PRO HG2 H 1 2.025 0.030 . 1 . . . . 50 PRO HG2 . 11377 1 509 . 1 1 50 50 PRO HG3 H 1 2.025 0.030 . 1 . . . . 50 PRO HG3 . 11377 1 510 . 1 1 50 50 PRO CA C 13 61.338 0.300 . 1 . . . . 50 PRO CA . 11377 1 511 . 1 1 50 50 PRO CB C 13 30.766 0.300 . 1 . . . . 50 PRO CB . 11377 1 512 . 1 1 50 50 PRO CD C 13 50.560 0.300 . 1 . . . . 50 PRO CD . 11377 1 513 . 1 1 50 50 PRO CG C 13 27.352 0.300 . 1 . . . . 50 PRO CG . 11377 1 514 . 1 1 51 51 PRO HA H 1 4.411 0.030 . 1 . . . . 51 PRO HA . 11377 1 515 . 1 1 51 51 PRO HB2 H 1 2.278 0.030 . 2 . . . . 51 PRO HB2 . 11377 1 516 . 1 1 51 51 PRO HB3 H 1 1.840 0.030 . 2 . . . . 51 PRO HB3 . 11377 1 517 . 1 1 51 51 PRO HD2 H 1 3.818 0.030 . 1 . . . . 51 PRO HD2 . 11377 1 518 . 1 1 51 51 PRO HD3 H 1 3.818 0.030 . 1 . . . . 51 PRO HD3 . 11377 1 519 . 1 1 51 51 PRO HG2 H 1 2.008 0.030 . 1 . . . . 51 PRO HG2 . 11377 1 520 . 1 1 51 51 PRO HG3 H 1 2.008 0.030 . 1 . . . . 51 PRO HG3 . 11377 1 521 . 1 1 51 51 PRO C C 13 176.583 0.300 . 1 . . . . 51 PRO C . 11377 1 522 . 1 1 51 51 PRO CA C 13 62.920 0.300 . 1 . . . . 51 PRO CA . 11377 1 523 . 1 1 51 51 PRO CB C 13 32.170 0.300 . 1 . . . . 51 PRO CB . 11377 1 524 . 1 1 51 51 PRO CD C 13 50.560 0.300 . 1 . . . . 51 PRO CD . 11377 1 525 . 1 1 51 51 PRO CG C 13 27.377 0.300 . 1 . . . . 51 PRO CG . 11377 1 526 . 1 1 52 52 ARG H H 1 8.390 0.030 . 1 . . . . 52 ARG H . 11377 1 527 . 1 1 52 52 ARG HA H 1 4.334 0.030 . 1 . . . . 52 ARG HA . 11377 1 528 . 1 1 52 52 ARG HB2 H 1 1.815 0.030 . 2 . . . . 52 ARG HB2 . 11377 1 529 . 1 1 52 52 ARG HB3 H 1 1.750 0.030 . 2 . . . . 52 ARG HB3 . 11377 1 530 . 1 1 52 52 ARG HD2 H 1 3.211 0.030 . 1 . . . . 52 ARG HD2 . 11377 1 531 . 1 1 52 52 ARG HD3 H 1 3.211 0.030 . 1 . . . . 52 ARG HD3 . 11377 1 532 . 1 1 52 52 ARG HG2 H 1 1.661 0.030 . 2 . . . . 52 ARG HG2 . 11377 1 533 . 1 1 52 52 ARG HG3 H 1 1.614 0.030 . 2 . . . . 52 ARG HG3 . 11377 1 534 . 1 1 52 52 ARG C C 13 175.749 0.300 . 1 . . . . 52 ARG C . 11377 1 535 . 1 1 52 52 ARG CA C 13 55.843 0.300 . 1 . . . . 52 ARG CA . 11377 1 536 . 1 1 52 52 ARG CB C 13 30.889 0.300 . 1 . . . . 52 ARG CB . 11377 1 537 . 1 1 52 52 ARG CD C 13 43.377 0.300 . 1 . . . . 52 ARG CD . 11377 1 538 . 1 1 52 52 ARG CG C 13 27.224 0.300 . 1 . . . . 52 ARG CG . 11377 1 539 . 1 1 52 52 ARG N N 15 121.407 0.300 . 1 . . . . 52 ARG N . 11377 1 540 . 1 1 53 53 LEU H H 1 8.339 0.030 . 1 . . . . 53 LEU H . 11377 1 541 . 1 1 53 53 LEU HA H 1 4.465 0.030 . 1 . . . . 53 LEU HA . 11377 1 542 . 1 1 53 53 LEU HB2 H 1 1.684 0.030 . 2 . . . . 53 LEU HB2 . 11377 1 543 . 1 1 53 53 LEU HB3 H 1 1.396 0.030 . 2 . . . . 53 LEU HB3 . 11377 1 544 . 1 1 53 53 LEU HD11 H 1 0.891 0.030 . 1 . . . . 53 LEU HD1 . 11377 1 545 . 1 1 53 53 LEU HD12 H 1 0.891 0.030 . 1 . . . . 53 LEU HD1 . 11377 1 546 . 1 1 53 53 LEU HD13 H 1 0.891 0.030 . 1 . . . . 53 LEU HD1 . 11377 1 547 . 1 1 53 53 LEU HD21 H 1 0.760 0.030 . 1 . . . . 53 LEU HD2 . 11377 1 548 . 1 1 53 53 LEU HD22 H 1 0.760 0.030 . 1 . . . . 53 LEU HD2 . 11377 1 549 . 1 1 53 53 LEU HD23 H 1 0.760 0.030 . 1 . . . . 53 LEU HD2 . 11377 1 550 . 1 1 53 53 LEU HG H 1 1.612 0.030 . 1 . . . . 53 LEU HG . 11377 1 551 . 1 1 53 53 LEU C C 13 178.005 0.300 . 1 . . . . 53 LEU C . 11377 1 552 . 1 1 53 53 LEU CA C 13 54.626 0.300 . 1 . . . . 53 LEU CA . 11377 1 553 . 1 1 53 53 LEU CB C 13 43.102 0.300 . 1 . . . . 53 LEU CB . 11377 1 554 . 1 1 53 53 LEU CD1 C 13 24.787 0.300 . 2 . . . . 53 LEU CD1 . 11377 1 555 . 1 1 53 53 LEU CD2 C 13 22.958 0.300 . 2 . . . . 53 LEU CD2 . 11377 1 556 . 1 1 53 53 LEU CG C 13 27.070 0.300 . 1 . . . . 53 LEU CG . 11377 1 557 . 1 1 53 53 LEU N N 15 123.347 0.300 . 1 . . . . 53 LEU N . 11377 1 558 . 1 1 54 54 GLY H H 1 8.540 0.030 . 1 . . . . 54 GLY H . 11377 1 559 . 1 1 54 54 GLY HA2 H 1 3.954 0.030 . 2 . . . . 54 GLY HA2 . 11377 1 560 . 1 1 54 54 GLY HA3 H 1 4.146 0.030 . 2 . . . . 54 GLY HA3 . 11377 1 561 . 1 1 54 54 GLY C C 13 174.892 0.300 . 1 . . . . 54 GLY C . 11377 1 562 . 1 1 54 54 GLY CA C 13 44.650 0.300 . 1 . . . . 54 GLY CA . 11377 1 563 . 1 1 54 54 GLY N N 15 109.309 0.300 . 1 . . . . 54 GLY N . 11377 1 564 . 1 1 55 55 GLU H H 1 8.578 0.030 . 1 . . . . 55 GLU H . 11377 1 565 . 1 1 55 55 GLU HA H 1 4.198 0.030 . 1 . . . . 55 GLU HA . 11377 1 566 . 1 1 55 55 GLU HB2 H 1 1.996 0.030 . 2 . . . . 55 GLU HB2 . 11377 1 567 . 1 1 55 55 GLU HB3 H 1 2.069 0.030 . 2 . . . . 55 GLU HB3 . 11377 1 568 . 1 1 55 55 GLU HG2 H 1 2.290 0.030 . 1 . . . . 55 GLU HG2 . 11377 1 569 . 1 1 55 55 GLU HG3 H 1 2.290 0.030 . 1 . . . . 55 GLU HG3 . 11377 1 570 . 1 1 55 55 GLU C C 13 176.713 0.300 . 1 . . . . 55 GLU C . 11377 1 571 . 1 1 55 55 GLU CA C 13 57.753 0.300 . 1 . . . . 55 GLU CA . 11377 1 572 . 1 1 55 55 GLU CB C 13 29.832 0.300 . 1 . . . . 55 GLU CB . 11377 1 573 . 1 1 55 55 GLU CG C 13 36.394 0.300 . 1 . . . . 55 GLU CG . 11377 1 574 . 1 1 55 55 GLU N N 15 121.145 0.300 . 1 . . . . 55 GLU N . 11377 1 575 . 1 1 56 56 ASN H H 1 8.386 0.030 . 1 . . . . 56 ASN H . 11377 1 576 . 1 1 56 56 ASN HA H 1 4.652 0.030 . 1 . . . . 56 ASN HA . 11377 1 577 . 1 1 56 56 ASN HB2 H 1 2.891 0.030 . 2 . . . . 56 ASN HB2 . 11377 1 578 . 1 1 56 56 ASN HB3 H 1 2.960 0.030 . 2 . . . . 56 ASN HB3 . 11377 1 579 . 1 1 56 56 ASN HD21 H 1 7.648 0.030 . 2 . . . . 56 ASN HD21 . 11377 1 580 . 1 1 56 56 ASN HD22 H 1 6.966 0.030 . 2 . . . . 56 ASN HD22 . 11377 1 581 . 1 1 56 56 ASN C C 13 175.677 0.300 . 1 . . . . 56 ASN C . 11377 1 582 . 1 1 56 56 ASN CA C 13 52.998 0.300 . 1 . . . . 56 ASN CA . 11377 1 583 . 1 1 56 56 ASN CB C 13 38.278 0.300 . 1 . . . . 56 ASN CB . 11377 1 584 . 1 1 56 56 ASN N N 15 117.077 0.300 . 1 . . . . 56 ASN N . 11377 1 585 . 1 1 56 56 ASN ND2 N 15 112.334 0.300 . 1 . . . . 56 ASN ND2 . 11377 1 586 . 1 1 57 57 GLY H H 1 8.235 0.030 . 1 . . . . 57 GLY H . 11377 1 587 . 1 1 57 57 GLY HA2 H 1 4.025 0.030 . 2 . . . . 57 GLY HA2 . 11377 1 588 . 1 1 57 57 GLY HA3 H 1 3.795 0.030 . 2 . . . . 57 GLY HA3 . 11377 1 589 . 1 1 57 57 GLY C C 13 173.235 0.300 . 1 . . . . 57 GLY C . 11377 1 590 . 1 1 57 57 GLY CA C 13 45.539 0.300 . 1 . . . . 57 GLY CA . 11377 1 591 . 1 1 57 57 GLY N N 15 107.753 0.300 . 1 . . . . 57 GLY N . 11377 1 592 . 1 1 58 58 LEU H H 1 7.709 0.030 . 1 . . . . 58 LEU H . 11377 1 593 . 1 1 58 58 LEU HA H 1 4.726 0.030 . 1 . . . . 58 LEU HA . 11377 1 594 . 1 1 58 58 LEU HB2 H 1 1.622 0.030 . 2 . . . . 58 LEU HB2 . 11377 1 595 . 1 1 58 58 LEU HB3 H 1 1.523 0.030 . 2 . . . . 58 LEU HB3 . 11377 1 596 . 1 1 58 58 LEU HD11 H 1 0.912 0.030 . 1 . . . . 58 LEU HD1 . 11377 1 597 . 1 1 58 58 LEU HD12 H 1 0.912 0.030 . 1 . . . . 58 LEU HD1 . 11377 1 598 . 1 1 58 58 LEU HD13 H 1 0.912 0.030 . 1 . . . . 58 LEU HD1 . 11377 1 599 . 1 1 58 58 LEU HD21 H 1 0.916 0.030 . 1 . . . . 58 LEU HD2 . 11377 1 600 . 1 1 58 58 LEU HD22 H 1 0.916 0.030 . 1 . . . . 58 LEU HD2 . 11377 1 601 . 1 1 58 58 LEU HD23 H 1 0.916 0.030 . 1 . . . . 58 LEU HD2 . 11377 1 602 . 1 1 58 58 LEU HG H 1 1.563 0.030 . 1 . . . . 58 LEU HG . 11377 1 603 . 1 1 58 58 LEU C C 13 175.087 0.300 . 1 . . . . 58 LEU C . 11377 1 604 . 1 1 58 58 LEU CA C 13 52.653 0.300 . 1 . . . . 58 LEU CA . 11377 1 605 . 1 1 58 58 LEU CB C 13 41.587 0.300 . 1 . . . . 58 LEU CB . 11377 1 606 . 1 1 58 58 LEU CD1 C 13 24.791 0.300 . 2 . . . . 58 LEU CD1 . 11377 1 607 . 1 1 58 58 LEU CD2 C 13 25.220 0.300 . 2 . . . . 58 LEU CD2 . 11377 1 608 . 1 1 58 58 LEU CG C 13 27.051 0.300 . 1 . . . . 58 LEU CG . 11377 1 609 . 1 1 58 58 LEU N N 15 121.451 0.300 . 1 . . . . 58 LEU N . 11377 1 610 . 1 1 59 59 PRO HA H 1 4.570 0.030 . 1 . . . . 59 PRO HA . 11377 1 611 . 1 1 59 59 PRO HB2 H 1 2.268 0.030 . 2 . . . . 59 PRO HB2 . 11377 1 612 . 1 1 59 59 PRO HB3 H 1 1.880 0.030 . 2 . . . . 59 PRO HB3 . 11377 1 613 . 1 1 59 59 PRO HD2 H 1 3.625 0.030 . 2 . . . . 59 PRO HD2 . 11377 1 614 . 1 1 59 59 PRO HD3 H 1 3.849 0.030 . 2 . . . . 59 PRO HD3 . 11377 1 615 . 1 1 59 59 PRO HG2 H 1 1.965 0.030 . 2 . . . . 59 PRO HG2 . 11377 1 616 . 1 1 59 59 PRO HG3 H 1 2.068 0.030 . 2 . . . . 59 PRO HG3 . 11377 1 617 . 1 1 59 59 PRO C C 13 176.956 0.300 . 1 . . . . 59 PRO C . 11377 1 618 . 1 1 59 59 PRO CA C 13 63.123 0.300 . 1 . . . . 59 PRO CA . 11377 1 619 . 1 1 59 59 PRO CB C 13 32.024 0.300 . 1 . . . . 59 PRO CB . 11377 1 620 . 1 1 59 59 PRO CD C 13 50.454 0.300 . 1 . . . . 59 PRO CD . 11377 1 621 . 1 1 59 59 PRO CG C 13 27.652 0.300 . 1 . . . . 59 PRO CG . 11377 1 622 . 1 1 60 60 ILE H H 1 8.298 0.030 . 1 . . . . 60 ILE H . 11377 1 623 . 1 1 60 60 ILE HA H 1 4.169 0.030 . 1 . . . . 60 ILE HA . 11377 1 624 . 1 1 60 60 ILE HB H 1 1.814 0.030 . 1 . . . . 60 ILE HB . 11377 1 625 . 1 1 60 60 ILE HD11 H 1 0.830 0.030 . 1 . . . . 60 ILE HD1 . 11377 1 626 . 1 1 60 60 ILE HD12 H 1 0.830 0.030 . 1 . . . . 60 ILE HD1 . 11377 1 627 . 1 1 60 60 ILE HD13 H 1 0.830 0.030 . 1 . . . . 60 ILE HD1 . 11377 1 628 . 1 1 60 60 ILE HG12 H 1 1.470 0.030 . 2 . . . . 60 ILE HG12 . 11377 1 629 . 1 1 60 60 ILE HG13 H 1 1.151 0.030 . 2 . . . . 60 ILE HG13 . 11377 1 630 . 1 1 60 60 ILE HG21 H 1 0.912 0.030 . 1 . . . . 60 ILE HG2 . 11377 1 631 . 1 1 60 60 ILE HG22 H 1 0.912 0.030 . 1 . . . . 60 ILE HG2 . 11377 1 632 . 1 1 60 60 ILE HG23 H 1 0.912 0.030 . 1 . . . . 60 ILE HG2 . 11377 1 633 . 1 1 60 60 ILE C C 13 176.322 0.300 . 1 . . . . 60 ILE C . 11377 1 634 . 1 1 60 60 ILE CA C 13 61.310 0.300 . 1 . . . . 60 ILE CA . 11377 1 635 . 1 1 60 60 ILE CB C 13 39.003 0.300 . 1 . . . . 60 ILE CB . 11377 1 636 . 1 1 60 60 ILE CD1 C 13 13.173 0.300 . 1 . . . . 60 ILE CD1 . 11377 1 637 . 1 1 60 60 ILE CG1 C 13 27.347 0.300 . 1 . . . . 60 ILE CG1 . 11377 1 638 . 1 1 60 60 ILE CG2 C 13 17.598 0.300 . 1 . . . . 60 ILE CG2 . 11377 1 639 . 1 1 60 60 ILE N N 15 121.658 0.300 . 1 . . . . 60 ILE N . 11377 1 640 . 1 1 61 61 SER H H 1 8.366 0.030 . 1 . . . . 61 SER H . 11377 1 641 . 1 1 61 61 SER HA H 1 4.525 0.030 . 1 . . . . 61 SER HA . 11377 1 642 . 1 1 61 61 SER HB2 H 1 3.931 0.030 . 2 . . . . 61 SER HB2 . 11377 1 643 . 1 1 61 61 SER HB3 H 1 3.850 0.030 . 2 . . . . 61 SER HB3 . 11377 1 644 . 1 1 61 61 SER C C 13 174.349 0.300 . 1 . . . . 61 SER C . 11377 1 645 . 1 1 61 61 SER CA C 13 58.231 0.300 . 1 . . . . 61 SER CA . 11377 1 646 . 1 1 61 61 SER CB C 13 64.166 0.300 . 1 . . . . 61 SER CB . 11377 1 647 . 1 1 61 61 SER N N 15 119.689 0.300 . 1 . . . . 61 SER N . 11377 1 648 . 1 1 62 62 GLY H H 1 8.248 0.030 . 1 . . . . 62 GLY H . 11377 1 649 . 1 1 62 62 GLY HA2 H 1 4.175 0.030 . 2 . . . . 62 GLY HA2 . 11377 1 650 . 1 1 62 62 GLY HA3 H 1 4.104 0.030 . 2 . . . . 62 GLY HA3 . 11377 1 651 . 1 1 62 62 GLY C C 13 171.643 0.300 . 1 . . . . 62 GLY C . 11377 1 652 . 1 1 62 62 GLY CA C 13 44.683 0.300 . 1 . . . . 62 GLY CA . 11377 1 653 . 1 1 62 62 GLY N N 15 110.787 0.300 . 1 . . . . 62 GLY N . 11377 1 654 . 1 1 63 63 PRO HA H 1 4.485 0.030 . 1 . . . . 63 PRO HA . 11377 1 655 . 1 1 63 63 PRO HB2 H 1 2.301 0.030 . 2 . . . . 63 PRO HB2 . 11377 1 656 . 1 1 63 63 PRO HB3 H 1 1.984 0.030 . 2 . . . . 63 PRO HB3 . 11377 1 657 . 1 1 63 63 PRO HD2 H 1 3.635 0.030 . 1 . . . . 63 PRO HD2 . 11377 1 658 . 1 1 63 63 PRO HD3 H 1 3.635 0.030 . 1 . . . . 63 PRO HD3 . 11377 1 659 . 1 1 63 63 PRO HG2 H 1 1.838 0.030 . 2 . . . . 63 PRO HG2 . 11377 1 660 . 1 1 63 63 PRO HG3 H 1 1.995 0.030 . 2 . . . . 63 PRO HG3 . 11377 1 661 . 1 1 63 63 PRO C C 13 177.324 0.300 . 1 . . . . 63 PRO C . 11377 1 662 . 1 1 63 63 PRO CA C 13 63.322 0.300 . 1 . . . . 63 PRO CA . 11377 1 663 . 1 1 63 63 PRO CB C 13 32.229 0.300 . 1 . . . . 63 PRO CB . 11377 1 664 . 1 1 63 63 PRO CD C 13 49.783 0.300 . 1 . . . . 63 PRO CD . 11377 1 665 . 1 1 63 63 PRO CG C 13 27.211 0.300 . 1 . . . . 63 PRO CG . 11377 1 666 . 1 1 64 64 SER H H 1 8.529 0.030 . 1 . . . . 64 SER H . 11377 1 667 . 1 1 64 64 SER HA H 1 4.464 0.030 . 1 . . . . 64 SER HA . 11377 1 668 . 1 1 64 64 SER HB2 H 1 3.918 0.030 . 1 . . . . 64 SER HB2 . 11377 1 669 . 1 1 64 64 SER HB3 H 1 3.918 0.030 . 1 . . . . 64 SER HB3 . 11377 1 670 . 1 1 64 64 SER C C 13 174.613 0.300 . 1 . . . . 64 SER C . 11377 1 671 . 1 1 64 64 SER CA C 13 58.838 0.300 . 1 . . . . 64 SER CA . 11377 1 672 . 1 1 64 64 SER CB C 13 63.997 0.300 . 1 . . . . 64 SER CB . 11377 1 673 . 1 1 64 64 SER N N 15 116.352 0.300 . 1 . . . . 64 SER N . 11377 1 stop_ save_