################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15930 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details 'M1 is deleted in the expression system.' _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' . . . 15930 1 2 '3D C(CO)NH' . . . 15930 1 3 '3D CBCA(CO)NH' . . . 15930 1 5 '3D HNCO' . . . 15930 1 6 '3D HNHA' . . . 15930 1 7 '3D HBHA(CO)NH' . . . 15930 1 10 '3D 1H-15N NOESY' . . . 15930 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 2 2 GLY H H 1 8.126 0.02 . 1 . . . . 2 GLY H . 15930 1 2 . 1 1 2 2 GLY HA2 H 1 3.864 0.02 . 1 . . . . 2 GLY HA2 . 15930 1 3 . 1 1 2 2 GLY CA C 13 43.347 0.2 . 1 . . . . 2 GLY CA . 15930 1 4 . 1 1 2 2 GLY N N 15 119.607 0.2 . 1 . . . . 2 GLY N . 15930 1 5 . 1 1 3 3 SER H H 1 8.592 0.02 . 1 . . . . 3 SER H . 15930 1 6 . 1 1 3 3 SER HA H 1 4.497 0.02 . 1 . . . . 3 SER HA . 15930 1 7 . 1 1 3 3 SER HB2 H 1 3.797 0.02 . 1 . . . . 3 SER HB2 . 15930 1 8 . 1 1 3 3 SER CA C 13 57.930 0.2 . 1 . . . . 3 SER CA . 15930 1 9 . 1 1 3 3 SER CB C 13 63.805 0.2 . 1 . . . . 3 SER CB . 15930 1 10 . 1 1 3 3 SER N N 15 115.217 0.2 . 1 . . . . 3 SER N . 15930 1 11 . 1 1 4 4 SER H H 1 8.379 0.02 . 1 . . . . 4 SER H . 15930 1 12 . 1 1 4 4 SER HA H 1 4.364 0.02 . 1 . . . . 4 SER HA . 15930 1 13 . 1 1 4 4 SER HB2 H 1 3.754 0.02 . 1 . . . . 4 SER HB2 . 15930 1 14 . 1 1 4 4 SER CA C 13 57.766 0.2 . 1 . . . . 4 SER CA . 15930 1 15 . 1 1 4 4 SER CB C 13 63.641 0.2 . 1 . . . . 4 SER CB . 15930 1 16 . 1 1 4 4 SER N N 15 117.560 0.2 . 1 . . . . 4 SER N . 15930 1 17 . 1 1 5 5 HIS H H 1 8.480 0.02 . 1 . . . . 5 HIS H . 15930 1 18 . 1 1 5 5 HIS HA H 1 4.629 0.02 . 1 . . . . 5 HIS HA . 15930 1 19 . 1 1 5 5 HIS HB2 H 1 3.180 0.02 . 2 . . . . 5 HIS HB2 . 15930 1 20 . 1 1 5 5 HIS HB3 H 1 3.017 0.02 . 2 . . . . 5 HIS HB3 . 15930 1 21 . 1 1 5 5 HIS CA C 13 54.816 0.2 . 1 . . . . 5 HIS CA . 15930 1 22 . 1 1 5 5 HIS CB C 13 28.670 0.2 . 1 . . . . 5 HIS CB . 15930 1 23 . 1 1 5 5 HIS N N 15 119.652 0.2 . 1 . . . . 5 HIS N . 15930 1 24 . 1 1 6 6 HIS HA H 1 4.634 0.02 . 1 . . . . 6 HIS HA . 15930 1 25 . 1 1 6 6 HIS HB2 H 1 3.173 0.02 . 2 . . . . 6 HIS HB2 . 15930 1 26 . 1 1 6 6 HIS HB3 H 1 3.042 0.02 . 2 . . . . 6 HIS HB3 . 15930 1 27 . 1 1 6 6 HIS CA C 13 55.004 0.2 . 1 . . . . 6 HIS CA . 15930 1 28 . 1 1 6 6 HIS CB C 13 29.232 0.2 . 1 . . . . 6 HIS CB . 15930 1 29 . 1 1 7 7 HIS H H 1 8.604 0.02 . 1 . . . . 7 HIS H . 15930 1 30 . 1 1 7 7 HIS HA H 1 4.667 0.02 . 1 . . . . 7 HIS HA . 15930 1 31 . 1 1 7 7 HIS HB2 H 1 3.180 0.02 . 2 . . . . 7 HIS HB2 . 15930 1 32 . 1 1 7 7 HIS HB3 H 1 3.121 0.02 . 2 . . . . 7 HIS HB3 . 15930 1 33 . 1 1 7 7 HIS CA C 13 55.121 0.2 . 1 . . . . 7 HIS CA . 15930 1 34 . 1 1 7 7 HIS CB C 13 29.513 0.2 . 1 . . . . 7 HIS CB . 15930 1 35 . 1 1 7 7 HIS N N 15 119.543 0.2 . 1 . . . . 7 HIS N . 15930 1 36 . 1 1 8 8 HIS H H 1 8.674 0.02 . 1 . . . . 8 HIS H . 15930 1 37 . 1 1 8 8 HIS HA H 1 4.665 0.02 . 1 . . . . 8 HIS HA . 15930 1 38 . 1 1 8 8 HIS HB2 H 1 3.156 0.02 . 1 . . . . 8 HIS HB2 . 15930 1 39 . 1 1 8 8 HIS CA C 13 55.203 0.2 . 1 . . . . 8 HIS CA . 15930 1 40 . 1 1 8 8 HIS CB C 13 29.606 0.2 . 1 . . . . 8 HIS CB . 15930 1 41 . 1 1 8 8 HIS N N 15 120.106 0.2 . 1 . . . . 8 HIS N . 15930 1 42 . 1 1 9 9 HIS H H 1 8.689 0.02 . 1 . . . . 9 HIS H . 15930 1 43 . 1 1 9 9 HIS HA H 1 4.651 0.02 . 1 . . . . 9 HIS HA . 15930 1 44 . 1 1 9 9 HIS HB2 H 1 3.161 0.02 . 1 . . . . 9 HIS HB2 . 15930 1 45 . 1 1 9 9 HIS CA C 13 55.191 0.2 . 1 . . . . 9 HIS CA . 15930 1 46 . 1 1 9 9 HIS CB C 13 29.571 0.2 . 1 . . . . 9 HIS CB . 15930 1 47 . 1 1 9 9 HIS N N 15 120.691 0.2 . 1 . . . . 9 HIS N . 15930 1 48 . 1 1 10 10 HIS H H 1 8.664 0.02 . 1 . . . . 10 HIS H . 15930 1 49 . 1 1 10 10 HIS HA H 1 4.679 0.02 . 1 . . . . 10 HIS HA . 15930 1 50 . 1 1 10 10 HIS HB2 H 1 3.180 0.02 . 1 . . . . 10 HIS HB2 . 15930 1 51 . 1 1 10 10 HIS CA C 13 55.542 0.2 . 1 . . . . 10 HIS CA . 15930 1 52 . 1 1 10 10 HIS CB C 13 29.700 0.2 . 1 . . . . 10 HIS CB . 15930 1 53 . 1 1 10 10 HIS N N 15 121.408 0.2 . 1 . . . . 10 HIS N . 15930 1 54 . 1 1 11 11 SER H H 1 8.469 0.02 . 1 . . . . 11 SER H . 15930 1 55 . 1 1 11 11 SER HA H 1 4.480 0.02 . 1 . . . . 11 SER HA . 15930 1 56 . 1 1 11 11 SER HB2 H 1 3.826 0.02 . 1 . . . . 11 SER HB2 . 15930 1 57 . 1 1 11 11 SER CA C 13 58.325 0.2 . 1 . . . . 11 SER CA . 15930 1 58 . 1 1 11 11 SER CB C 13 63.991 0.2 . 1 . . . . 11 SER CB . 15930 1 59 . 1 1 11 11 SER N N 15 118.628 0.2 . 1 . . . . 11 SER N . 15930 1 60 . 1 1 12 12 SER H H 1 8.491 0.02 . 1 . . . . 12 SER H . 15930 1 61 . 1 1 12 12 SER HA H 1 4.462 0.02 . 1 . . . . 12 SER HA . 15930 1 62 . 1 1 12 12 SER HB2 H 1 3.864 0.02 . 1 . . . . 12 SER HB2 . 15930 1 63 . 1 1 12 12 SER CA C 13 58.489 0.2 . 1 . . . . 12 SER CA . 15930 1 64 . 1 1 12 12 SER CB C 13 63.934 0.2 . 1 . . . . 12 SER CB . 15930 1 65 . 1 1 12 12 SER N N 15 118.150 0.2 . 1 . . . . 12 SER N . 15930 1 66 . 1 1 13 13 GLY H H 1 8.348 0.02 . 1 . . . . 13 GLY H . 15930 1 67 . 1 1 13 13 GLY HA2 H 1 3.918 0.02 . 1 . . . . 13 GLY HA2 . 15930 1 68 . 1 1 13 13 GLY CA C 13 45.044 0.2 . 1 . . . . 13 GLY CA . 15930 1 69 . 1 1 13 13 GLY N N 15 110.250 0.2 . 1 . . . . 13 GLY N . 15930 1 70 . 1 1 14 14 LEU H H 1 8.040 0.02 . 1 . . . . 14 LEU H . 15930 1 71 . 1 1 14 14 LEU HA H 1 4.345 0.02 . 1 . . . . 14 LEU HA . 15930 1 72 . 1 1 14 14 LEU HB2 H 1 1.523 0.02 . 1 . . . . 14 LEU HB2 . 15930 1 73 . 1 1 14 14 LEU CA C 13 55.051 0.2 . 1 . . . . 14 LEU CA . 15930 1 74 . 1 1 14 14 LEU CB C 13 42.644 0.2 . 1 . . . . 14 LEU CB . 15930 1 75 . 1 1 14 14 LEU CD1 C 13 24.828 0.2 . 2 . . . . 14 LEU CD1 . 15930 1 76 . 1 1 14 14 LEU CD2 C 13 23.488 0.2 . 2 . . . . 14 LEU CD2 . 15930 1 77 . 1 1 14 14 LEU CG C 13 27.069 0.2 . 1 . . . . 14 LEU CG . 15930 1 78 . 1 1 14 14 LEU N N 15 121.603 0.2 . 1 . . . . 14 LEU N . 15930 1 79 . 1 1 15 15 VAL H H 1 8.090 0.02 . 1 . . . . 15 VAL H . 15930 1 80 . 1 1 15 15 VAL HA H 1 4.364 0.02 . 1 . . . . 15 VAL HA . 15930 1 81 . 1 1 15 15 VAL CA C 13 59.872 0.2 . 1 . . . . 15 VAL CA . 15930 1 82 . 1 1 15 15 VAL CB C 13 32.895 0.2 . 1 . . . . 15 VAL CB . 15930 1 83 . 1 1 15 15 VAL N N 15 122.843 0.2 . 1 . . . . 15 VAL N . 15930 1 84 . 1 1 16 16 PRO HA H 1 4.364 0.02 . 1 . . . . 16 PRO HA . 15930 1 85 . 1 1 16 16 PRO HB2 H 1 2.240 0.02 . 2 . . . . 16 PRO HB2 . 15930 1 86 . 1 1 16 16 PRO HB3 H 1 1.856 0.02 . 2 . . . . 16 PRO HB3 . 15930 1 87 . 1 1 16 16 PRO CA C 13 63.267 0.2 . 1 . . . . 16 PRO CA . 15930 1 88 . 1 1 16 16 PRO CB C 13 32.193 0.2 . 1 . . . . 16 PRO CB . 15930 1 89 . 1 1 16 16 PRO CD C 13 51.062 0.2 . 1 . . . . 16 PRO CD . 15930 1 90 . 1 1 16 16 PRO CG C 13 27.420 0.2 . 1 . . . . 16 PRO CG . 15930 1 91 . 1 1 17 17 ARG H H 1 8.374 0.02 . 1 . . . . 17 ARG H . 15930 1 92 . 1 1 17 17 ARG HA H 1 4.282 0.02 . 1 . . . . 17 ARG HA . 15930 1 93 . 1 1 17 17 ARG HB2 H 1 1.799 0.02 . 1 . . . . 17 ARG HB2 . 15930 1 94 . 1 1 17 17 ARG CA C 13 56.525 0.2 . 1 . . . . 17 ARG CA . 15930 1 95 . 1 1 17 17 ARG CB C 13 30.848 0.2 . 1 . . . . 17 ARG CB . 15930 1 96 . 1 1 17 17 ARG CD C 13 43.384 0.2 . 1 . . . . 17 ARG CD . 15930 1 97 . 1 1 17 17 ARG CG C 13 27.081 0.2 . 1 . . . . 17 ARG CG . 15930 1 98 . 1 1 17 17 ARG N N 15 121.700 0.2 . 1 . . . . 17 ARG N . 15930 1 99 . 1 1 18 18 GLY H H 1 8.386 0.02 . 1 . . . . 18 GLY H . 15930 1 100 . 1 1 18 18 GLY HA2 H 1 3.935 0.02 . 1 . . . . 18 GLY HA2 . 15930 1 101 . 1 1 18 18 GLY CA C 13 45.348 0.2 . 1 . . . . 18 GLY CA . 15930 1 102 . 1 1 18 18 GLY N N 15 109.853 0.2 . 1 . . . . 18 GLY N . 15930 1 103 . 1 1 19 19 SER H H 1 8.103 0.02 . 1 . . . . 19 SER H . 15930 1 104 . 1 1 19 19 SER HA H 1 4.368 0.02 . 1 . . . . 19 SER HA . 15930 1 105 . 1 1 19 19 SER HB2 H 1 3.779 0.02 . 1 . . . . 19 SER HB2 . 15930 1 106 . 1 1 19 19 SER CA C 13 58.515 0.2 . 1 . . . . 19 SER CA . 15930 1 107 . 1 1 19 19 SER CB C 13 63.993 0.2 . 1 . . . . 19 SER CB . 15930 1 108 . 1 1 19 19 SER N N 15 114.949 0.2 . 1 . . . . 19 SER N . 15930 1 109 . 1 1 20 20 HIS H H 1 8.522 0.02 . 1 . . . . 20 HIS H . 15930 1 110 . 1 1 20 20 HIS HA H 1 4.680 0.02 . 1 . . . . 20 HIS HA . 15930 1 111 . 1 1 20 20 HIS HB2 H 1 3.274 0.02 . 2 . . . . 20 HIS HB2 . 15930 1 112 . 1 1 20 20 HIS HB3 H 1 3.129 0.2 . 2 . . . . 20 HIS HB3 . 15930 1 113 . 1 1 20 20 HIS CA C 13 55.659 0.2 . 1 . . . . 20 HIS CA . 15930 1 114 . 1 1 20 20 HIS CB C 13 28.868 0.2 . 1 . . . . 20 HIS CB . 15930 1 115 . 1 1 20 20 HIS N N 15 119.860 0.2 . 1 . . . . 20 HIS N . 15930 1 116 . 1 1 21 21 MET H H 1 8.275 0.02 . 1 . . . . 21 MET H . 15930 1 117 . 1 1 21 21 MET HA H 1 4.396 0.02 . 1 . . . . 21 MET HA . 15930 1 118 . 1 1 21 21 MET HB2 H 1 1.988 0.02 . 1 . . . . 21 MET HB2 . 15930 1 119 . 1 1 21 21 MET CA C 13 55.538 0.2 . 1 . . . . 21 MET CA . 15930 1 120 . 1 1 21 21 MET CB C 13 33.176 0.2 . 1 . . . . 21 MET CB . 15930 1 121 . 1 1 21 21 MET CG C 13 31.991 0.2 . 1 . . . . 21 MET CG . 15930 1 122 . 1 1 21 21 MET N N 15 120.903 0.2 . 1 . . . . 21 MET N . 15930 1 123 . 1 1 22 22 LEU H H 1 8.176 0.02 . 1 . . . . 22 LEU H . 15930 1 124 . 1 1 22 22 LEU HA H 1 4.310 0.02 . 1 . . . . 22 LEU HA . 15930 1 125 . 1 1 22 22 LEU HB2 H 1 1.562 0.02 . 1 . . . . 22 LEU HB2 . 15930 1 126 . 1 1 22 22 LEU CA C 13 55.191 0.2 . 1 . . . . 22 LEU CA . 15930 1 127 . 1 1 22 22 LEU CB C 13 42.598 0.2 . 1 . . . . 22 LEU CB . 15930 1 128 . 1 1 22 22 LEU CD1 C 13 24.798 0.2 . 2 . . . . 22 LEU CD1 . 15930 1 129 . 1 1 22 22 LEU CD2 C 13 23.587 0.2 . 2 . . . . 22 LEU CD2 . 15930 1 130 . 1 1 22 22 LEU CG C 13 27.157 0.2 . 1 . . . . 22 LEU CG . 15930 1 131 . 1 1 22 22 LEU N N 15 123.051 0.2 . 1 . . . . 22 LEU N . 15930 1 132 . 1 1 23 23 GLU H H 1 8.141 0.02 . 1 . . . . 23 GLU H . 15930 1 133 . 1 1 23 23 GLU HA H 1 4.374 0.02 . 1 . . . . 23 GLU HA . 15930 1 134 . 1 1 23 23 GLU HB2 H 1 2.049 0.02 . 2 . . . . 23 GLU HB2 . 15930 1 135 . 1 1 23 23 GLU HB3 H 1 1.895 0.02 . 2 . . . . 23 GLU HB3 . 15930 1 136 . 1 1 23 23 GLU CA C 13 55.532 0.2 . 1 . . . . 23 GLU CA . 15930 1 137 . 1 1 23 23 GLU CB C 13 29.045 0.2 . 1 . . . . 23 GLU CB . 15930 1 138 . 1 1 23 23 GLU CG C 13 32.915 0.2 . 1 . . . . 23 GLU CG . 15930 1 139 . 1 1 23 23 GLU N N 15 121.008 0.2 . 1 . . . . 23 GLU N . 15930 1 140 . 1 1 24 24 LEU H H 1 8.097 0.02 . 1 . . . . 24 LEU H . 15930 1 141 . 1 1 24 24 LEU HA H 1 4.392 0.02 . 1 . . . . 24 LEU HA . 15930 1 142 . 1 1 24 24 LEU HB3 H 1 1.884 0.02 . 1 . . . . 24 LEU HB3 . 15930 1 143 . 1 1 24 24 LEU CA C 13 53.143 0.2 . 1 . . . . 24 LEU CA . 15930 1 144 . 1 1 24 24 LEU CB C 13 42.071 0.2 . 1 . . . . 24 LEU CB . 15930 1 145 . 1 1 24 24 LEU N N 15 124.248 0.2 . 1 . . . . 24 LEU N . 15930 1 146 . 1 1 25 25 PRO HA H 1 4.399 0.02 . 1 . . . . 25 PRO HA . 15930 1 147 . 1 1 25 25 PRO HB2 H 1 2.225 0.02 . 2 . . . . 25 PRO HB2 . 15930 1 148 . 1 1 25 25 PRO HB3 H 1 1.884 0.02 . 2 . . . . 25 PRO HB3 . 15930 1 149 . 1 1 25 25 PRO CA C 13 62.822 0.2 . 1 . . . . 25 PRO CA . 15930 1 150 . 1 1 25 25 PRO CB C 13 32.052 0.2 . 1 . . . . 25 PRO CB . 15930 1 151 . 1 1 25 25 PRO CD C 13 50.436 0.2 . 1 . . . . 25 PRO CD . 15930 1 152 . 1 1 25 25 PRO CG C 13 27.479 0.2 . 1 . . . . 25 PRO CG . 15930 1 153 . 1 1 26 26 LEU H H 1 8.146 0.02 . 1 . . . . 26 LEU H . 15930 1 154 . 1 1 26 26 LEU HA H 1 4.248 0.02 . 1 . . . . 26 LEU HA . 15930 1 155 . 1 1 26 26 LEU HB2 H 1 1.551 0.02 . 1 . . . . 26 LEU HB2 . 15930 1 156 . 1 1 26 26 LEU CA C 13 55.565 0.2 . 1 . . . . 26 LEU CA . 15930 1 157 . 1 1 26 26 LEU CB C 13 42.574 0.2 . 1 . . . . 26 LEU CB . 15930 1 158 . 1 1 26 26 LEU CD1 C 13 24.875 0.2 . 2 . . . . 26 LEU CD1 . 15930 1 159 . 1 1 26 26 LEU CD2 C 13 23.400 0.2 . 2 . . . . 26 LEU CD2 . 15930 1 160 . 1 1 26 26 LEU CG C 13 27.239 0.2 . 1 . . . . 26 LEU CG . 15930 1 161 . 1 1 26 26 LEU N N 15 121.640 0.2 . 1 . . . . 26 LEU N . 15930 1 162 . 1 1 27 27 ASP H H 1 8.309 0.02 . 1 . . . . 27 ASP H . 15930 1 163 . 1 1 27 27 ASP HA H 1 4.676 0.02 . 1 . . . . 27 ASP HA . 15930 1 164 . 1 1 27 27 ASP HB2 H 1 2.880 0.02 . 2 . . . . 27 ASP HB2 . 15930 1 165 . 1 1 27 27 ASP CA C 13 53.273 0.2 . 1 . . . . 27 ASP CA . 15930 1 166 . 1 1 27 27 ASP CB C 13 38.899 0.2 . 1 . . . . 27 ASP CB . 15930 1 167 . 1 1 27 27 ASP N N 15 119.959 0.2 . 1 . . . . 27 ASP N . 15930 1 168 . 1 1 28 28 SER H H 1 8.209 0.02 . 1 . . . . 28 SER H . 15930 1 169 . 1 1 28 28 SER HA H 1 4.346 0.02 . 1 . . . . 28 SER HA . 15930 1 170 . 1 1 28 28 SER HB2 H 1 3.869 0.02 . 1 . . . . 28 SER HB2 . 15930 1 171 . 1 1 28 28 SER CA C 13 59.213 0.2 . 1 . . . . 28 SER CA . 15930 1 172 . 1 1 28 28 SER CB C 13 36.758 0.2 . 1 . . . . 28 SER CB . 15930 1 173 . 1 1 28 28 SER N N 15 116.173 0.2 . 1 . . . . 28 SER N . 15930 1 174 . 1 1 29 29 ALA H H 1 8.273 0.02 . 1 . . . . 29 ALA H . 15930 1 175 . 1 1 29 29 ALA HA H 1 4.290 0.02 . 1 . . . . 29 ALA HA . 15930 1 176 . 1 1 29 29 ALA HB1 H 1 1.411 0.02 . 1 . . . . 29 ALA HB . 15930 1 177 . 1 1 29 29 ALA HB2 H 1 1.411 0.02 . 1 . . . . 29 ALA HB . 15930 1 178 . 1 1 29 29 ALA HB3 H 1 1.411 0.02 . 1 . . . . 29 ALA HB . 15930 1 179 . 1 1 29 29 ALA CA C 13 53.845 0.2 . 1 . . . . 29 ALA CA . 15930 1 180 . 1 1 29 29 ALA CB C 13 18.932 0.2 . 1 . . . . 29 ALA CB . 15930 1 181 . 1 1 29 29 ALA N N 15 125.067 0.2 . 1 . . . . 29 ALA N . 15930 1 182 . 1 1 30 30 THR H H 1 8.046 0.02 . 1 . . . . 30 THR H . 15930 1 183 . 1 1 30 30 THR HA H 1 4.238 0.02 . 1 . . . . 30 THR HA . 15930 1 184 . 1 1 30 30 THR HB H 1 4.094 0.02 . 1 . . . . 30 THR HB . 15930 1 185 . 1 1 30 30 THR CA C 13 63.873 0.2 . 1 . . . . 30 THR CA . 15930 1 186 . 1 1 30 30 THR CB C 13 69.433 0.2 . 1 . . . . 30 THR CB . 15930 1 187 . 1 1 30 30 THR CG2 C 13 21.767 0.2 . 1 . . . . 30 THR CG2 . 15930 1 188 . 1 1 30 30 THR N N 15 112.615 0.2 . 1 . . . . 30 THR N . 15930 1 189 . 1 1 31 31 THR H H 1 8.032 0.02 . 1 . . . . 31 THR H . 15930 1 190 . 1 1 31 31 THR HA H 1 4.672 0.02 . 1 . . . . 31 THR HA . 15930 1 191 . 1 1 31 31 THR HB H 1 4.094 0.02 . 1 . . . . 31 THR HB . 15930 1 192 . 1 1 31 31 THR CA C 13 64.309 0.2 . 1 . . . . 31 THR CA . 15930 1 193 . 1 1 31 31 THR CB C 13 69.212 0.2 . 1 . . . . 31 THR CB . 15930 1 194 . 1 1 31 31 THR CG2 C 13 21.820 0.2 . 1 . . . . 31 THR CG2 . 15930 1 195 . 1 1 31 31 THR N N 15 115.741 0.2 . 1 . . . . 31 THR N . 15930 1 196 . 1 1 32 32 GLU H H 1 8.265 0.02 . 1 . . . . 32 GLU H . 15930 1 197 . 1 1 32 32 GLU HA H 1 4.174 0.02 . 1 . . . . 32 GLU HA . 15930 1 198 . 1 1 32 32 GLU HB2 H 1 2.070 0.02 . 1 . . . . 32 GLU HB2 . 15930 1 199 . 1 1 32 32 GLU CA C 13 57.977 0.2 . 1 . . . . 32 GLU CA . 15930 1 200 . 1 1 32 32 GLU CB C 13 28.389 0.2 . 1 . . . . 32 GLU CB . 15930 1 201 . 1 1 32 32 GLU CG C 13 33.085 0.2 . 1 . . . . 32 GLU CG . 15930 1 202 . 1 1 32 32 GLU N N 15 121.247 0.2 . 1 . . . . 32 GLU N . 15930 1 203 . 1 1 33 33 SER H H 1 8.141 0.02 . 1 . . . . 33 SER H . 15930 1 204 . 1 1 33 33 SER HA H 1 4.294 0.02 . 1 . . . . 33 SER HA . 15930 1 205 . 1 1 33 33 SER HB2 H 1 3.917 0.02 . 1 . . . . 33 SER HB2 . 15930 1 206 . 1 1 33 33 SER CA C 13 60.353 0.2 . 1 . . . . 33 SER CA . 15930 1 207 . 1 1 33 33 SER CB C 13 63.208 0.2 . 1 . . . . 33 SER CB . 15930 1 208 . 1 1 33 33 SER N N 15 116.070 0.2 . 1 . . . . 33 SER N . 15930 1 209 . 1 1 34 34 LEU H H 1 8.054 0.02 . 1 . . . . 34 LEU H . 15930 1 210 . 1 1 34 34 LEU HA H 1 4.111 0.02 . 1 . . . . 34 LEU HA . 15930 1 211 . 1 1 34 34 LEU HB2 H 1 1.748 0.02 . 2 . . . . 34 LEU HB2 . 15930 1 212 . 1 1 34 34 LEU HB3 H 1 1.544 0.02 . 2 . . . . 34 LEU HB3 . 15930 1 213 . 1 1 34 34 LEU CA C 13 56.919 0.2 . 1 . . . . 34 LEU CA . 15930 1 214 . 1 1 34 34 LEU CB C 13 42.059 0.2 . 1 . . . . 34 LEU CB . 15930 1 215 . 1 1 34 34 LEU CD1 C 13 24.834 0.2 . 2 . . . . 34 LEU CD1 . 15930 1 216 . 1 1 34 34 LEU CD2 C 13 23.382 0.2 . 2 . . . . 34 LEU CD2 . 15930 1 217 . 1 1 34 34 LEU N N 15 123.378 0.2 . 1 . . . . 34 LEU N . 15930 1 218 . 1 1 35 35 ARG H H 1 7.682 0.02 . 1 . . . . 35 ARG H . 15930 1 219 . 1 1 35 35 ARG HA H 1 4.062 0.02 . 1 . . . . 35 ARG HA . 15930 1 220 . 1 1 35 35 ARG HB2 H 1 1.825 0.02 . 1 . . . . 35 ARG HB2 . 15930 1 221 . 1 1 35 35 ARG CA C 13 58.437 0.2 . 1 . . . . 35 ARG CA . 15930 1 222 . 1 1 35 35 ARG CB C 13 30.250 0.2 . 1 . . . . 35 ARG CB . 15930 1 223 . 1 1 35 35 ARG CD C 13 43.396 0.2 . 1 . . . . 35 ARG CD . 15930 1 224 . 1 1 35 35 ARG CG C 13 27.485 0.2 . 1 . . . . 35 ARG CG . 15930 1 225 . 1 1 35 35 ARG N N 15 118.201 0.2 . 1 . . . . 35 ARG N . 15930 1 226 . 1 1 36 36 ALA H H 1 8.012 0.02 . 1 . . . . 36 ALA H . 15930 1 227 . 1 1 36 36 ALA HA H 1 4.143 0.02 . 1 . . . . 36 ALA HA . 15930 1 228 . 1 1 36 36 ALA HB1 H 1 1.432 0.02 . 1 . . . . 36 ALA HB . 15930 1 229 . 1 1 36 36 ALA HB2 H 1 1.432 0.02 . 1 . . . . 36 ALA HB . 15930 1 230 . 1 1 36 36 ALA HB3 H 1 1.432 0.02 . 1 . . . . 36 ALA HB . 15930 1 231 . 1 1 36 36 ALA CA C 13 54.222 0.2 . 1 . . . . 36 ALA CA . 15930 1 232 . 1 1 36 36 ALA CB C 13 18.534 0.2 . 1 . . . . 36 ALA CB . 15930 1 233 . 1 1 36 36 ALA N N 15 122.787 0.2 . 1 . . . . 36 ALA N . 15930 1 234 . 1 1 37 37 ALA H H 1 8.080 0.02 . 1 . . . . 37 ALA H . 15930 1 235 . 1 1 37 37 ALA HA H 1 4.217 0.02 . 1 . . . . 37 ALA HA . 15930 1 236 . 1 1 37 37 ALA HB1 H 1 1.421 0.02 . 1 . . . . 37 ALA HB . 15930 1 237 . 1 1 37 37 ALA HB2 H 1 1.421 0.02 . 1 . . . . 37 ALA HB . 15930 1 238 . 1 1 37 37 ALA HB3 H 1 1.421 0.02 . 1 . . . . 37 ALA HB . 15930 1 239 . 1 1 37 37 ALA CA C 13 53.856 0.2 . 1 . . . . 37 ALA CA . 15930 1 240 . 1 1 37 37 ALA CB C 13 19.026 0.2 . 1 . . . . 37 ALA CB . 15930 1 241 . 1 1 37 37 ALA N N 15 121.239 0.2 . 1 . . . . 37 ALA N . 15930 1 242 . 1 1 38 38 THR H H 1 7.908 0.02 . 1 . . . . 38 THR H . 15930 1 243 . 1 1 38 38 THR HA H 1 4.396 0.02 . 1 . . . . 38 THR HA . 15930 1 244 . 1 1 38 38 THR HB H 1 4.063 0.02 . 1 . . . . 38 THR HB . 15930 1 245 . 1 1 38 38 THR CA C 13 63.864 0.2 . 1 . . . . 38 THR CA . 15930 1 246 . 1 1 38 38 THR CB C 13 69.693 0.2 . 1 . . . . 38 THR CB . 15930 1 247 . 1 1 38 38 THR CG2 C 13 21.387 0.2 . 1 . . . . 38 THR CG2 . 15930 1 248 . 1 1 38 38 THR N N 15 111.091 0.2 . 1 . . . . 38 THR N . 15930 1 249 . 1 1 39 39 HIS H H 1 8.201 0.02 . 1 . . . . 39 HIS H . 15930 1 250 . 1 1 39 39 HIS HA H 1 4.425 0.02 . 1 . . . . 39 HIS HA . 15930 1 251 . 1 1 39 39 HIS HB2 H 1 3.268 0.02 . 1 . . . . 39 HIS HB2 . 15930 1 252 . 1 1 39 39 HIS CB C 13 28.553 0.2 . 1 . . . . 39 HIS CB . 15930 1 253 . 1 1 39 39 HIS N N 15 119.152 0.2 . 1 . . . . 39 HIS N . 15930 1 254 . 1 1 40 40 ASP H H 1 8.329 0.02 . 1 . . . . 40 ASP H . 15930 1 255 . 1 1 40 40 ASP HA H 1 4.683 0.02 . 1 . . . . 40 ASP HA . 15930 1 256 . 1 1 40 40 ASP HB2 H 1 2.919 0.02 . 2 . . . . 40 ASP HB2 . 15930 1 257 . 1 1 40 40 ASP HB3 H 1 2.749 0.02 . 2 . . . . 40 ASP HB3 . 15930 1 258 . 1 1 40 40 ASP CB C 13 38.969 0.2 . 1 . . . . 40 ASP CB . 15930 1 259 . 1 1 40 40 ASP N N 15 118.692 0.2 . 1 . . . . 40 ASP N . 15930 1 260 . 1 1 41 41 VAL H H 1 7.895 0.02 . 1 . . . . 41 VAL H . 15930 1 261 . 1 1 41 41 VAL HA H 1 3.822 0.02 . 1 . . . . 41 VAL HA . 15930 1 262 . 1 1 41 41 VAL HB H 1 2.058 0.02 . 1 . . . . 41 VAL HB . 15930 1 263 . 1 1 41 41 VAL CA C 13 64.227 0.2 . 1 . . . . 41 VAL CA . 15930 1 264 . 1 1 41 41 VAL CB C 13 32.403 0.2 . 1 . . . . 41 VAL CB . 15930 1 265 . 1 1 41 41 VAL CG1 C 13 21.024 0.2 . 1 . . . . 41 VAL CG1 . 15930 1 266 . 1 1 41 41 VAL N N 15 121.184 0.2 . 1 . . . . 41 VAL N . 15930 1 267 . 1 1 42 42 LEU H H 1 8.109 0.02 . 1 . . . . 42 LEU H . 15930 1 268 . 1 1 42 42 LEU HA H 1 4.158 0.02 . 1 . . . . 42 LEU HA . 15930 1 269 . 1 1 42 42 LEU HB2 H 1 1.682 0.02 . 2 . . . . 42 LEU HB2 . 15930 1 270 . 1 1 42 42 LEU HB3 H 1 1.504 0.02 . 2 . . . . 42 LEU HB3 . 15930 1 271 . 1 1 42 42 LEU CA C 13 56.619 0.2 . 1 . . . . 42 LEU CA . 15930 1 272 . 1 1 42 42 LEU CB C 13 42.004 0.2 . 1 . . . . 42 LEU CB . 15930 1 273 . 1 1 42 42 LEU CD1 C 13 24.997 0.2 . 2 . . . . 42 LEU CD1 . 15930 1 274 . 1 1 42 42 LEU CD2 C 13 23.160 0.2 . 2 . . . . 42 LEU CD2 . 15930 1 275 . 1 1 42 42 LEU N N 15 122.692 0.2 . 1 . . . . 42 LEU N . 15930 1 276 . 1 1 43 43 ALA H H 1 7.969 0.02 . 1 . . . . 43 ALA H . 15930 1 277 . 1 1 43 43 ALA HA H 1 4.124 0.02 . 1 . . . . 43 ALA HA . 15930 1 278 . 1 1 43 43 ALA HB1 H 1 1.334 0.02 . 1 . . . . 43 ALA HB . 15930 1 279 . 1 1 43 43 ALA HB2 H 1 1.334 0.02 . 1 . . . . 43 ALA HB . 15930 1 280 . 1 1 43 43 ALA HB3 H 1 1.334 0.02 . 1 . . . . 43 ALA HB . 15930 1 281 . 1 1 43 43 ALA CA C 13 53.927 0.2 . 1 . . . . 43 ALA CA . 15930 1 282 . 1 1 43 43 ALA CB C 13 18.499 0.2 . 1 . . . . 43 ALA CB . 15930 1 283 . 1 1 43 43 ALA N N 15 122.178 0.2 . 1 . . . . 43 ALA N . 15930 1 284 . 1 1 44 44 GLY H H 1 8.036 0.02 . 1 . . . . 44 GLY H . 15930 1 285 . 1 1 44 44 GLY HA2 H 1 3.905 0.02 . 1 . . . . 44 GLY HA2 . 15930 1 286 . 1 1 44 44 GLY CA C 13 45.652 0.2 . 1 . . . . 44 GLY CA . 15930 1 287 . 1 1 44 44 GLY N N 15 106.441 0.2 . 1 . . . . 44 GLY N . 15930 1 288 . 1 1 45 45 LEU H H 1 7.777 0.02 . 1 . . . . 45 LEU H . 15930 1 289 . 1 1 45 45 LEU HA H 1 4.347 0.02 . 1 . . . . 45 LEU HA . 15930 1 290 . 1 1 45 45 LEU HB2 H 1 1.691 0.02 . 2 . . . . 45 LEU HB2 . 15930 1 291 . 1 1 45 45 LEU HB3 H 1 1.593 0.02 . 2 . . . . 45 LEU HB3 . 15930 1 292 . 1 1 45 45 LEU CA C 13 56.139 0.2 . 1 . . . . 45 LEU CA . 15930 1 293 . 1 1 45 45 LEU CB C 13 42.750 0.2 . 1 . . . . 45 LEU CB . 15930 1 294 . 1 1 45 45 LEU CD1 C 13 25.208 0.2 . 2 . . . . 45 LEU CD1 . 15930 1 295 . 1 1 45 45 LEU CD2 C 13 23.886 0.2 . 2 . . . . 45 LEU CD2 . 15930 1 296 . 1 1 45 45 LEU N N 15 121.679 0.2 . 1 . . . . 45 LEU N . 15930 1 297 . 1 1 46 46 THR H H 1 7.960 0.02 . 1 . . . . 46 THR H . 15930 1 298 . 1 1 46 46 THR HA H 1 4.503 0.02 . 1 . . . . 46 THR HA . 15930 1 299 . 1 1 46 46 THR HB H 1 4.249 0.02 . 1 . . . . 46 THR HB . 15930 1 300 . 1 1 46 46 THR HG21 H 1 1.249 0.02 . 1 . . . . 46 THR HG1 . 15930 1 301 . 1 1 46 46 THR HG22 H 1 1.249 0.02 . 1 . . . . 46 THR HG1 . 15930 1 302 . 1 1 46 46 THR HG23 H 1 1.249 0.02 . 1 . . . . 46 THR HG1 . 15930 1 303 . 1 1 46 46 THR CA C 13 62.658 0.2 . 1 . . . . 46 THR CA . 15930 1 304 . 1 1 46 46 THR CB C 13 70.148 0.2 . 1 . . . . 46 THR CB . 15930 1 305 . 1 1 46 46 THR CG2 C 13 21.638 0.2 . 1 . . . . 46 THR CG2 . 15930 1 306 . 1 1 46 46 THR N N 15 113.193 0.2 . 1 . . . . 46 THR N . 15930 1 307 . 1 1 47 47 ALA H H 1 8.416 0.02 . 1 . . . . 47 ALA H . 15930 1 308 . 1 1 47 47 ALA HA H 1 4.093 0.02 . 1 . . . . 47 ALA HA . 15930 1 309 . 1 1 47 47 ALA HB1 H 1 1.450 0.02 . 1 . . . . 47 ALA HB . 15930 1 310 . 1 1 47 47 ALA HB2 H 1 1.450 0.02 . 1 . . . . 47 ALA HB . 15930 1 311 . 1 1 47 47 ALA HB3 H 1 1.450 0.02 . 1 . . . . 47 ALA HB . 15930 1 312 . 1 1 47 47 ALA CB C 13 18.394 0.2 . 1 . . . . 47 ALA CB . 15930 1 313 . 1 1 47 47 ALA N N 15 123.594 0.2 . 1 . . . . 47 ALA N . 15930 1 314 . 1 1 48 48 ARG H H 1 8.100 0.02 . 1 . . . . 48 ARG H . 15930 1 315 . 1 1 48 48 ARG HA H 1 4.038 0.02 . 1 . . . . 48 ARG HA . 15930 1 316 . 1 1 48 48 ARG HB2 H 1 1.839 0.02 . 1 . . . . 48 ARG HB2 . 15930 1 317 . 1 1 48 48 ARG CA C 13 59.124 0.2 . 1 . . . . 48 ARG CA . 15930 1 318 . 1 1 48 48 ARG CB C 13 30.320 0.2 . 1 . . . . 48 ARG CB . 15930 1 319 . 1 1 48 48 ARG CD C 13 43.425 0.2 . 1 . . . . 48 ARG CD . 15930 1 320 . 1 1 48 48 ARG CG C 13 27.423 0.2 . 1 . . . . 48 ARG CG . 15930 1 321 . 1 1 48 48 ARG N N 15 117.558 0.2 . 1 . . . . 48 ARG N . 15930 1 322 . 1 1 49 49 GLU H H 1 7.822 0.02 . 1 . . . . 49 GLU H . 15930 1 323 . 1 1 49 49 GLU HA H 1 3.975 0.02 . 1 . . . . 49 GLU HA . 15930 1 324 . 1 1 49 49 GLU HB2 H 1 2.183 0.02 . 2 . . . . 49 GLU HB2 . 15930 1 325 . 1 1 49 49 GLU HB3 H 1 1.980 0.02 . 2 . . . . 49 GLU HB3 . 15930 1 326 . 1 1 49 49 GLU CA C 13 58.456 0.2 . 1 . . . . 49 GLU CA . 15930 1 327 . 1 1 49 49 GLU CB C 13 28.412 0.2 . 1 . . . . 49 GLU CB . 15930 1 328 . 1 1 49 49 GLU CG C 13 33.372 0.2 . 1 . . . . 49 GLU CG . 15930 1 329 . 1 1 49 49 GLU N N 15 118.301 0.2 . 1 . . . . 49 GLU N . 15930 1 330 . 1 1 50 50 ALA H H 1 8.405 0.02 . 1 . . . . 50 ALA H . 15930 1 331 . 1 1 50 50 ALA HA H 1 4.056 0.02 . 1 . . . . 50 ALA HA . 15930 1 332 . 1 1 50 50 ALA HB1 H 1 1.461 0.02 . 1 . . . . 50 ALA HB . 15930 1 333 . 1 1 50 50 ALA HB2 H 1 1.461 0.02 . 1 . . . . 50 ALA HB . 15930 1 334 . 1 1 50 50 ALA HB3 H 1 1.461 0.02 . 1 . . . . 50 ALA HB . 15930 1 335 . 1 1 50 50 ALA CA C 13 55.039 0.2 . 1 . . . . 50 ALA CA . 15930 1 336 . 1 1 50 50 ALA CB C 13 18.113 0.2 . 1 . . . . 50 ALA CB . 15930 1 337 . 1 1 50 50 ALA N N 15 120.754 0.2 . 1 . . . . 50 ALA N . 15930 1 338 . 1 1 51 51 LYS H H 1 7.750 0.02 . 1 . . . . 51 LYS H . 15930 1 339 . 1 1 51 51 LYS HA H 1 3.975 0.02 . 1 . . . . 51 LYS HA . 15930 1 340 . 1 1 51 51 LYS HB2 H 1 1.931 0.02 . 1 . . . . 51 LYS HB2 . 15930 1 341 . 1 1 51 51 LYS CA C 13 59.697 0.2 . 1 . . . . 51 LYS CA . 15930 1 342 . 1 1 51 51 LYS CB C 13 32.638 0.2 . 1 . . . . 51 LYS CB . 15930 1 343 . 1 1 51 51 LYS CD C 13 29.474 0.2 . 1 . . . . 51 LYS CD . 15930 1 344 . 1 1 51 51 LYS CE C 13 42.161 0.2 . 1 . . . . 51 LYS CE . 15930 1 345 . 1 1 51 51 LYS CG C 13 25.231 0.2 . 1 . . . . 51 LYS CG . 15930 1 346 . 1 1 51 51 LYS N N 15 117.558 0.2 . 1 . . . . 51 LYS N . 15930 1 347 . 1 1 52 52 VAL H H 1 7.727 0.02 . 1 . . . . 52 VAL H . 15930 1 348 . 1 1 52 52 VAL HA H 1 3.864 0.02 . 1 . . . . 52 VAL HA . 15930 1 349 . 1 1 52 52 VAL HB H 1 2.065 0.02 . 1 . . . . 52 VAL HB . 15930 1 350 . 1 1 52 52 VAL CA C 13 64.472 0.2 . 1 . . . . 52 VAL CA . 15930 1 351 . 1 1 52 52 VAL CB C 13 32.405 0.2 . 1 . . . . 52 VAL CB . 15930 1 352 . 1 1 52 52 VAL CG1 C 13 21.030 0.2 . 1 . . . . 52 VAL CG1 . 15930 1 353 . 1 1 52 52 VAL N N 15 119.243 0.2 . 1 . . . . 52 VAL N . 15930 1 354 . 1 1 53 53 LEU H H 1 7.977 0.02 . 1 . . . . 53 LEU H . 15930 1 355 . 1 1 53 53 LEU HA H 1 4.220 0.02 . 1 . . . . 53 LEU HA . 15930 1 356 . 1 1 53 53 LEU HB2 H 1 1.514 0.02 . 1 . . . . 53 LEU HB2 . 15930 1 357 . 1 1 53 53 LEU CA C 13 55.940 0.2 . 1 . . . . 53 LEU CA . 15930 1 358 . 1 1 53 53 LEU CB C 13 42.153 0.2 . 1 . . . . 53 LEU CB . 15930 1 359 . 1 1 53 53 LEU CD1 C 13 24.845 0.2 . 2 . . . . 53 LEU CD1 . 15930 1 360 . 1 1 53 53 LEU CD2 C 13 23.341 0.2 . 2 . . . . 53 LEU CD2 . 15930 1 361 . 1 1 53 53 LEU CG C 13 27.139 0.2 . 1 . . . . 53 LEU CG . 15930 1 362 . 1 1 53 53 LEU N N 15 121.039 0.2 . 1 . . . . 53 LEU N . 15930 1 363 . 1 1 54 54 ARG H H 1 8.038 0.02 . 1 . . . . 54 ARG H . 15930 1 364 . 1 1 54 54 ARG HA H 1 4.187 0.02 . 1 . . . . 54 ARG HA . 15930 1 365 . 1 1 54 54 ARG HB2 H 1 1.669 0.02 . 1 . . . . 54 ARG HB2 . 15930 1 366 . 1 1 54 54 ARG N N 15 118.425 0.2 . 1 . . . . 54 ARG N . 15930 1 367 . 1 1 55 55 MET H H 1 8.124 0.02 . 1 . . . . 55 MET H . 15930 1 368 . 1 1 55 55 MET HA H 1 4.544 0.02 . 1 . . . . 55 MET HA . 15930 1 369 . 1 1 55 55 MET HB2 H 1 2.830 0.02 . 1 . . . . 55 MET HB2 . 15930 1 370 . 1 1 55 55 MET CA C 13 57.087 0.2 . 1 . . . . 55 MET CA . 15930 1 371 . 1 1 55 55 MET N N 15 120.296 0.2 . 1 . . . . 55 MET N . 15930 1 372 . 1 1 56 56 ARG H H 1 7.988 0.02 . 1 . . . . 56 ARG H . 15930 1 373 . 1 1 56 56 ARG HA H 1 4.089 0.02 . 1 . . . . 56 ARG HA . 15930 1 374 . 1 1 56 56 ARG HB2 H 1 1.444 0.02 . 1 . . . . 56 ARG HB2 . 15930 1 375 . 1 1 56 56 ARG CA C 13 54.486 0.2 . 1 . . . . 56 ARG CA . 15930 1 376 . 1 1 56 56 ARG CB C 13 30.671 0.2 . 1 . . . . 56 ARG CB . 15930 1 377 . 1 1 56 56 ARG CD C 13 42.240 0.2 . 1 . . . . 56 ARG CD . 15930 1 378 . 1 1 56 56 ARG CG C 13 27.183 0.2 . 1 . . . . 56 ARG CG . 15930 1 379 . 1 1 56 56 ARG N N 15 120.590 0.2 . 1 . . . . 56 ARG N . 15930 1 380 . 1 1 57 57 PHE H H 1 8.045 0.02 . 1 . . . . 57 PHE H . 15930 1 381 . 1 1 57 57 PHE HA H 1 4.699 0.02 . 1 . . . . 57 PHE HA . 15930 1 382 . 1 1 57 57 PHE HB2 H 1 3.268 0.02 . 2 . . . . 57 PHE HB2 . 15930 1 383 . 1 1 57 57 PHE HB3 H 1 2.949 0.02 . 2 . . . . 57 PHE HB3 . 15930 1 384 . 1 1 57 57 PHE CA C 13 58.012 0.2 . 1 . . . . 57 PHE CA . 15930 1 385 . 1 1 57 57 PHE CB C 13 40.257 0.2 . 1 . . . . 57 PHE CB . 15930 1 386 . 1 1 57 57 PHE N N 15 118.034 0.2 . 1 . . . . 57 PHE N . 15930 1 387 . 1 1 58 58 GLY H H 1 7.902 0.02 . 1 . . . . 58 GLY H . 15930 1 388 . 1 1 58 58 GLY HA2 H 1 4.127 0.02 . 2 . . . . 58 GLY HA2 . 15930 1 389 . 1 1 58 58 GLY CA C 13 46.202 0.2 . 1 . . . . 58 GLY CA . 15930 1 390 . 1 1 58 58 GLY N N 15 108.782 0.2 . 1 . . . . 58 GLY N . 15930 1 391 . 1 1 59 59 ILE H H 1 7.735 0.02 . 1 . . . . 59 ILE H . 15930 1 392 . 1 1 59 59 ILE HA H 1 4.078 0.02 . 1 . . . . 59 ILE HA . 15930 1 393 . 1 1 59 59 ILE HB H 1 1.777 0.02 . 1 . . . . 59 ILE HB . 15930 1 394 . 1 1 59 59 ILE HD11 H 1 0.823 0.02 . 1 . . . . 59 ILE HD1 . 15930 1 395 . 1 1 59 59 ILE HD12 H 1 0.823 0.02 . 1 . . . . 59 ILE HD1 . 15930 1 396 . 1 1 59 59 ILE HD13 H 1 0.823 0.02 . 1 . . . . 59 ILE HD1 . 15930 1 397 . 1 1 59 59 ILE CA C 13 61.500 0.2 . 1 . . . . 59 ILE CA . 15930 1 398 . 1 1 59 59 ILE CB C 13 39.180 0.2 . 1 . . . . 59 ILE CB . 15930 1 399 . 1 1 59 59 ILE CD1 C 13 13.085 0.2 . 1 . . . . 59 ILE CD1 . 15930 1 400 . 1 1 59 59 ILE CG1 C 13 27.370 0.2 . 1 . . . . 59 ILE CG1 . 15930 1 401 . 1 1 59 59 ILE CG2 C 13 17.305 0.2 . 1 . . . . 59 ILE CG2 . 15930 1 402 . 1 1 59 59 ILE N N 15 118.754 0.2 . 1 . . . . 59 ILE N . 15930 1 403 . 1 1 60 60 ASP H H 1 8.389 0.02 . 1 . . . . 60 ASP H . 15930 1 404 . 1 1 60 60 ASP HA H 1 4.650 0.02 . 1 . . . . 60 ASP HA . 15930 1 405 . 1 1 60 60 ASP HB2 H 1 2.921 0.02 . 2 . . . . 60 ASP HB2 . 15930 1 406 . 1 1 60 60 ASP HB3 H 1 2.752 0.02 . 2 . . . . 60 ASP HB3 . 15930 1 407 . 1 1 60 60 ASP CA C 13 53.190 0.2 . 1 . . . . 60 ASP CA . 15930 1 408 . 1 1 60 60 ASP CB C 13 39.110 0.2 . 1 . . . . 60 ASP CB . 15930 1 409 . 1 1 60 60 ASP N N 15 122.033 0.2 . 1 . . . . 60 ASP N . 15930 1 410 . 1 1 61 61 MET H H 1 8.225 0.02 . 1 . . . . 61 MET H . 15930 1 411 . 1 1 61 61 MET HA H 1 4.639 0.02 . 1 . . . . 61 MET HA . 15930 1 412 . 1 1 61 61 MET HB2 H 1 2.026 0.02 . 1 . . . . 61 MET HB2 . 15930 1 413 . 1 1 61 61 MET CA C 13 56.151 0.2 . 1 . . . . 61 MET CA . 15930 1 414 . 1 1 61 61 MET CB C 13 32.661 0.2 . 1 . . . . 61 MET CB . 15930 1 415 . 1 1 61 61 MET N N 15 120.307 0.2 . 1 . . . . 61 MET N . 15930 1 416 . 1 1 62 62 ASN H H 1 8.237 0.02 . 1 . . . . 62 ASN H . 15930 1 417 . 1 1 62 62 ASN HA H 1 4.678 0.02 . 1 . . . . 62 ASN HA . 15930 1 418 . 1 1 62 62 ASN HB2 H 1 2.787 0.02 . 1 . . . . 62 ASN HB2 . 15930 1 419 . 1 1 62 62 ASN CA C 13 53.927 0.2 . 1 . . . . 62 ASN CA . 15930 1 420 . 1 1 62 62 ASN CB C 13 38.911 0.2 . 1 . . . . 62 ASN CB . 15930 1 421 . 1 1 62 62 ASN N N 15 118.360 0.2 . 1 . . . . 62 ASN N . 15930 1 422 . 1 1 63 63 THR H H 1 7.959 0.02 . 1 . . . . 63 THR H . 15930 1 423 . 1 1 63 63 THR HA H 1 4.702 0.02 . 1 . . . . 63 THR HA . 15930 1 424 . 1 1 63 63 THR HB H 1 4.173 0.02 . 1 . . . . 63 THR HB . 15930 1 425 . 1 1 63 63 THR CA C 13 63.103 0.2 . 1 . . . . 63 THR CA . 15930 1 426 . 1 1 63 63 THR CB C 13 69.692 0.2 . 1 . . . . 63 THR CB . 15930 1 427 . 1 1 63 63 THR CG2 C 13 21.559 0.2 . 1 . . . . 63 THR CG2 . 15930 1 428 . 1 1 63 63 THR N N 15 113.932 0.2 . 1 . . . . 63 THR N . 15930 1 429 . 1 1 64 64 ASP H H 1 8.297 0.02 . 1 . . . . 64 ASP H . 15930 1 430 . 1 1 64 64 ASP HA H 1 4.567 0.02 . 1 . . . . 64 ASP HA . 15930 1 431 . 1 1 64 64 ASP HB2 H 1 2.758 0.02 . 1 . . . . 64 ASP HB2 . 15930 1 432 . 1 1 64 64 ASP CA C 13 54.372 0.2 . 1 . . . . 64 ASP CA . 15930 1 433 . 1 1 64 64 ASP CB C 13 38.267 0.2 . 1 . . . . 64 ASP CB . 15930 1 434 . 1 1 64 64 ASP N N 15 120.398 0.2 . 1 . . . . 64 ASP N . 15930 1 435 . 1 1 65 65 TYR H H 1 8.003 0.02 . 1 . . . . 65 TYR H . 15930 1 436 . 1 1 65 65 TYR HA H 1 4.464 0.02 . 1 . . . . 65 TYR HA . 15930 1 437 . 1 1 65 65 TYR HB2 H 1 2.998 0.02 . 1 . . . . 65 TYR HB2 . 15930 1 438 . 1 1 65 65 TYR CA C 13 59.264 0.2 . 1 . . . . 65 TYR CA . 15930 1 439 . 1 1 65 65 TYR CB C 13 38.398 0.2 . 1 . . . . 65 TYR CB . 15930 1 440 . 1 1 65 65 TYR N N 15 120.180 0.2 . 1 . . . . 65 TYR N . 15930 1 441 . 1 1 66 66 THR H H 1 7.858 0.02 . 1 . . . . 66 THR H . 15930 1 442 . 1 1 66 66 THR HA H 1 4.110 0.02 . 1 . . . . 66 THR HA . 15930 1 443 . 1 1 66 66 THR HB H 1 4.306 0.02 . 1 . . . . 66 THR HB . 15930 1 444 . 1 1 66 66 THR CA C 13 63.875 0.2 . 1 . . . . 66 THR CA . 15930 1 445 . 1 1 66 66 THR CB C 13 69.809 0.2 . 1 . . . . 66 THR CB . 15930 1 446 . 1 1 66 66 THR CG2 C 13 21.779 0.2 . 1 . . . . 66 THR CG2 . 15930 1 447 . 1 1 66 66 THR N N 15 113.769 0.2 . 1 . . . . 66 THR N . 15930 1 448 . 1 1 67 67 LEU H H 1 8.071 0.02 . 1 . . . . 67 LEU H . 15930 1 449 . 1 1 67 67 LEU HA H 1 4.236 0.02 . 1 . . . . 67 LEU HA . 15930 1 450 . 1 1 67 67 LEU HB2 H 1 1.662 0.02 . 2 . . . . 67 LEU HB2 . 15930 1 451 . 1 1 67 67 LEU HB3 H 1 1.507 0.02 . 2 . . . . 67 LEU HB3 . 15930 1 452 . 1 1 67 67 LEU CA C 13 55.612 0.2 . 1 . . . . 67 LEU CA . 15930 1 453 . 1 1 67 67 LEU CB C 13 42.083 0.2 . 1 . . . . 67 LEU CB . 15930 1 454 . 1 1 67 67 LEU CD1 C 13 24.836 0.2 . 2 . . . . 67 LEU CD1 . 15930 1 455 . 1 1 67 67 LEU CD2 C 13 23.356 0.2 . 2 . . . . 67 LEU CD2 . 15930 1 456 . 1 1 67 67 LEU CG C 13 27.142 0.2 . 1 . . . . 67 LEU CG . 15930 1 457 . 1 1 67 67 LEU N N 15 121.498 0.2 . 1 . . . . 67 LEU N . 15930 1 458 . 1 1 68 68 GLU H H 1 8.032 0.02 . 1 . . . . 68 GLU H . 15930 1 459 . 1 1 68 68 GLU HA H 1 4.211 0.02 . 1 . . . . 68 GLU HA . 15930 1 460 . 1 1 68 68 GLU HB2 H 1 2.005 0.02 . 1 . . . . 68 GLU HB2 . 15930 1 461 . 1 1 68 68 GLU CA C 13 56.046 0.2 . 1 . . . . 68 GLU CA . 15930 1 462 . 1 1 68 68 GLU CB C 13 28.616 0.2 . 1 . . . . 68 GLU CB . 15930 1 463 . 1 1 68 68 GLU CG C 13 33.158 0.2 . 1 . . . . 68 GLU CG . 15930 1 464 . 1 1 68 68 GLU N N 15 119.547 0.2 . 1 . . . . 68 GLU N . 15930 1 465 . 1 1 69 69 GLU H H 1 8.040 0.02 . 1 . . . . 69 GLU H . 15930 1 466 . 1 1 69 69 GLU HA H 1 4.120 0.02 . 1 . . . . 69 GLU HA . 15930 1 467 . 1 1 69 69 GLU HB2 H 1 2.051 0.02 . 1 . . . . 69 GLU HB2 . 15930 1 468 . 1 1 69 69 GLU CA C 13 57.485 0.2 . 1 . . . . 69 GLU CA . 15930 1 469 . 1 1 69 69 GLU CB C 13 28.506 0.2 . 1 . . . . 69 GLU CB . 15930 1 470 . 1 1 69 69 GLU CG C 13 33.322 0.2 . 1 . . . . 69 GLU CG . 15930 1 471 . 1 1 69 69 GLU N N 15 119.342 0.2 . 1 . . . . 69 GLU N . 15930 1 472 . 1 1 70 70 VAL H H 1 7.929 0.02 . 1 . . . . 70 VAL H . 15930 1 473 . 1 1 70 70 VAL HA H 1 3.829 0.02 . 1 . . . . 70 VAL HA . 15930 1 474 . 1 1 70 70 VAL HB H 1 2.079 0.02 . 1 . . . . 70 VAL HB . 15930 1 475 . 1 1 70 70 VAL CA C 13 64.660 0.2 . 1 . . . . 70 VAL CA . 15930 1 476 . 1 1 70 70 VAL CB C 13 32.368 0.2 . 1 . . . . 70 VAL CB . 15930 1 477 . 1 1 70 70 VAL CG1 C 13 21.331 0.2 . 1 . . . . 70 VAL CG1 . 15930 1 478 . 1 1 70 70 VAL N N 15 119.145 0.2 . 1 . . . . 70 VAL N . 15930 1 479 . 1 1 71 71 GLY H H 1 8.255 0.02 . 1 . . . . 71 GLY H . 15930 1 480 . 1 1 71 71 GLY HA2 H 1 3.902 0.02 . 1 . . . . 71 GLY HA2 . 15930 1 481 . 1 1 71 71 GLY CA C 13 46.320 0.2 . 1 . . . . 71 GLY CA . 15930 1 482 . 1 1 71 71 GLY N N 15 108.785 0.2 . 1 . . . . 71 GLY N . 15930 1 483 . 1 1 72 72 LYS H H 1 7.967 0.02 . 1 . . . . 72 LYS H . 15930 1 484 . 1 1 72 72 LYS HA H 1 4.197 0.02 . 1 . . . . 72 LYS HA . 15930 1 485 . 1 1 72 72 LYS HB2 H 1 1.834 0.02 . 1 . . . . 72 LYS HB2 . 15930 1 486 . 1 1 72 72 LYS CA C 13 57.825 0.2 . 1 . . . . 72 LYS CA . 15930 1 487 . 1 1 72 72 LYS CB C 13 32.567 0.2 . 1 . . . . 72 LYS CB . 15930 1 488 . 1 1 72 72 LYS CD C 13 29.178 0.2 . 1 . . . . 72 LYS CD . 15930 1 489 . 1 1 72 72 LYS CG C 13 25.047 0.2 . 1 . . . . 72 LYS CG . 15930 1 490 . 1 1 72 72 LYS N N 15 120.591 0.2 . 1 . . . . 72 LYS N . 15930 1 491 . 1 1 73 73 GLN H H 1 8.164 0.02 . 1 . . . . 73 GLN H . 15930 1 492 . 1 1 73 73 GLN HB2 H 1 3.109 0.02 . 1 . . . . 73 GLN HB2 . 15930 1 493 . 1 1 73 73 GLN N N 15 118.454 0.2 . 1 . . . . 73 GLN N . 15930 1 494 . 1 1 74 74 PHE HA H 1 4.425 0.02 . 1 . . . . 74 PHE HA . 15930 1 495 . 1 1 74 74 PHE HB2 H 1 3.110 0.02 . 1 . . . . 74 PHE HB2 . 15930 1 496 . 1 1 74 74 PHE CB C 13 39.145 0.2 . 1 . . . . 74 PHE CB . 15930 1 497 . 1 1 75 75 ASP H H 1 8.168 0.02 . 1 . . . . 75 ASP H . 15930 1 498 . 1 1 75 75 ASP HA H 1 4.444 0.02 . 1 . . . . 75 ASP HA . 15930 1 499 . 1 1 75 75 ASP HB2 H 1 2.877 0.02 . 1 . . . . 75 ASP HB2 . 15930 1 500 . 1 1 75 75 ASP CB C 13 38.853 0.2 . 1 . . . . 75 ASP CB . 15930 1 501 . 1 1 75 75 ASP N N 15 119.596 0.2 . 1 . . . . 75 ASP N . 15930 1 502 . 1 1 76 76 VAL H H 1 8.108 0.02 . 1 . . . . 76 VAL H . 15930 1 503 . 1 1 76 76 VAL HA H 1 3.847 0.02 . 1 . . . . 76 VAL HA . 15930 1 504 . 1 1 76 76 VAL HB H 1 2.118 0.02 . 1 . . . . 76 VAL HB . 15930 1 505 . 1 1 76 76 VAL CA C 13 65.596 0.2 . 1 . . . . 76 VAL CA . 15930 1 506 . 1 1 76 76 VAL CB C 13 32.041 0.2 . 1 . . . . 76 VAL CB . 15930 1 507 . 1 1 76 76 VAL CG1 C 13 21.319 0.2 . 1 . . . . 76 VAL CG1 . 15930 1 508 . 1 1 76 76 VAL N N 15 120.317 0.2 . 1 . . . . 76 VAL N . 15930 1 509 . 1 1 77 77 THR H H 1 7.892 0.02 . 1 . . . . 77 THR H . 15930 1 510 . 1 1 77 77 THR HA H 1 3.669 0.02 . 1 . . . . 77 THR HA . 15930 1 511 . 1 1 77 77 THR HB H 1 2.175 0.02 . 1 . . . . 77 THR HB . 15930 1 512 . 1 1 77 77 THR CB C 13 69.236 0.2 . 1 . . . . 77 THR CB . 15930 1 513 . 1 1 77 77 THR N N 15 116.733 0.2 . 1 . . . . 77 THR N . 15930 1 514 . 1 1 78 78 ARG H H 1 8.179 0.02 . 1 . . . . 78 ARG H . 15930 1 515 . 1 1 78 78 ARG HA H 1 4.066 0.02 . 1 . . . . 78 ARG HA . 15930 1 516 . 1 1 78 78 ARG HB2 H 1 1.630 0.02 . 2 . . . . 78 ARG HB2 . 15930 1 517 . 1 1 78 78 ARG HB3 H 1 1.462 0.02 . 2 . . . . 78 ARG HB3 . 15930 1 518 . 1 1 78 78 ARG CA C 13 57.356 0.2 . 1 . . . . 78 ARG CA . 15930 1 519 . 1 1 78 78 ARG CB C 13 30.285 0.2 . 1 . . . . 78 ARG CB . 15930 1 520 . 1 1 78 78 ARG CD C 13 43.083 0.2 . 1 . . . . 78 ARG CD . 15930 1 521 . 1 1 78 78 ARG CG C 13 26.797 0.2 . 1 . . . . 78 ARG CG . 15930 1 522 . 1 1 78 78 ARG N N 15 120.254 0.2 . 1 . . . . 78 ARG N . 15930 1 523 . 1 1 79 79 GLU H H 1 7.935 0.02 . 1 . . . . 79 GLU H . 15930 1 524 . 1 1 79 79 GLU HA H 1 4.124 0.02 . 1 . . . . 79 GLU HA . 15930 1 525 . 1 1 79 79 GLU HB2 H 1 2.005 0.02 . 1 . . . . 79 GLU HB2 . 15930 1 526 . 1 1 79 79 GLU CA C 13 57.942 0.2 . 1 . . . . 79 GLU CA . 15930 1 527 . 1 1 79 79 GLU CB C 13 30.249 0.2 . 1 . . . . 79 GLU CB . 15930 1 528 . 1 1 79 79 GLU CG C 13 33.667 0.2 . 1 . . . . 79 GLU CG . 15930 1 529 . 1 1 79 79 GLU N N 15 115.935 0.2 . 1 . . . . 79 GLU N . 15930 1 530 . 1 1 80 80 ARG H H 1 8.206 0.02 . 1 . . . . 80 ARG H . 15930 1 531 . 1 1 80 80 ARG HA H 1 3.896 0.02 . 1 . . . . 80 ARG HA . 15930 1 532 . 1 1 80 80 ARG HB2 H 1 1.767 0.02 . 1 . . . . 80 ARG HB2 . 15930 1 533 . 1 1 80 80 ARG CA C 13 59.326 0.2 . 1 . . . . 80 ARG CA . 15930 1 534 . 1 1 80 80 ARG CB C 13 30.273 0.2 . 1 . . . . 80 ARG CB . 15930 1 535 . 1 1 80 80 ARG CD C 13 43.405 0.2 . 1 . . . . 80 ARG CD . 15930 1 536 . 1 1 80 80 ARG CG C 13 27.628 0.2 . 1 . . . . 80 ARG CG . 15930 1 537 . 1 1 80 80 ARG N N 15 120.363 0.2 . 1 . . . . 80 ARG N . 15930 1 538 . 1 1 81 81 ILE H H 1 7.966 0.02 . 1 . . . . 81 ILE H . 15930 1 539 . 1 1 81 81 ILE HA H 1 3.713 0.02 . 1 . . . . 81 ILE HA . 15930 1 540 . 1 1 81 81 ILE HB H 1 1.863 0.02 . 1 . . . . 81 ILE HB . 15930 1 541 . 1 1 81 81 ILE CB C 13 37.694 0.2 . 1 . . . . 81 ILE CB . 15930 1 542 . 1 1 81 81 ILE N N 15 118.559 0.2 . 1 . . . . 81 ILE N . 15930 1 543 . 1 1 82 82 ARG H H 1 7.987 0.02 . 1 . . . . 82 ARG H . 15930 1 544 . 1 1 82 82 ARG HA H 1 4.057 0.02 . 1 . . . . 82 ARG HA . 15930 1 545 . 1 1 82 82 ARG HB2 H 1 1.907 0.02 . 1 . . . . 82 ARG HB2 . 15930 1 546 . 1 1 82 82 ARG CA C 13 56.092 0.2 . 1 . . . . 82 ARG CA . 15930 1 547 . 1 1 82 82 ARG CB C 13 30.343 0.2 . 1 . . . . 82 ARG CB . 15930 1 548 . 1 1 82 82 ARG CD C 13 42.547 0.2 . 1 . . . . 82 ARG CD . 15930 1 549 . 1 1 82 82 ARG CG C 13 27.747 0.2 . 1 . . . . 82 ARG CG . 15930 1 550 . 1 1 82 82 ARG N N 15 119.937 0.2 . 1 . . . . 82 ARG N . 15930 1 551 . 1 1 83 83 GLN H H 1 8.044 0.02 . 1 . . . . 83 GLN H . 15930 1 552 . 1 1 83 83 GLN HA H 1 4.261 0.02 . 1 . . . . 83 GLN HA . 15930 1 553 . 1 1 83 83 GLN HB2 H 1 2.157 0.02 . 2 . . . . 83 GLN HB2 . 15930 1 554 . 1 1 83 83 GLN HB3 H 1 2.005 0.02 . 2 . . . . 83 GLN HB3 . 15930 1 555 . 1 1 83 83 GLN CG C 13 33.400 0.2 . 1 . . . . 83 GLN CG . 15930 1 556 . 1 1 83 83 GLN N N 15 117.876 0.2 . 1 . . . . 83 GLN N . 15930 1 557 . 1 1 84 84 ILE H H 1 8.128 0.02 . 1 . . . . 84 ILE H . 15930 1 558 . 1 1 84 84 ILE HA H 1 3.717 0.02 . 1 . . . . 84 ILE HA . 15930 1 559 . 1 1 84 84 ILE HB H 1 1.932 0.02 . 1 . . . . 84 ILE HB . 15930 1 560 . 1 1 84 84 ILE CA C 13 65.022 0.2 . 1 . . . . 84 ILE CA . 15930 1 561 . 1 1 84 84 ILE CB C 13 38.454 0.2 . 1 . . . . 84 ILE CB . 15930 1 562 . 1 1 84 84 ILE CG2 C 13 17.056 0.2 . 1 . . . . 84 ILE CG2 . 15930 1 563 . 1 1 84 84 ILE N N 15 120.837 0.2 . 1 . . . . 84 ILE N . 15930 1 564 . 1 1 85 85 GLU H H 1 8.442 0.02 . 1 . . . . 85 GLU H . 15930 1 565 . 1 1 85 85 GLU HA H 1 4.082 0.02 . 1 . . . . 85 GLU HA . 15930 1 566 . 1 1 85 85 GLU HB2 H 1 2.114 0.02 . 1 . . . . 85 GLU HB2 . 15930 1 567 . 1 1 85 85 GLU CA C 13 58.305 0.2 . 1 . . . . 85 GLU CA . 15930 1 568 . 1 1 85 85 GLU CG C 13 33.342 0.2 . 1 . . . . 85 GLU CG . 15930 1 569 . 1 1 85 85 GLU N N 15 119.878 0.2 . 1 . . . . 85 GLU N . 15930 1 570 . 1 1 86 86 ALA H H 1 8.069 0.02 . 1 . . . . 86 ALA H . 15930 1 571 . 1 1 86 86 ALA HA H 1 4.083 0.02 . 1 . . . . 86 ALA HA . 15930 1 572 . 1 1 86 86 ALA HB1 H 1 1.430 0.02 . 1 . . . . 86 ALA HB . 15930 1 573 . 1 1 86 86 ALA HB2 H 1 1.430 0.02 . 1 . . . . 86 ALA HB . 15930 1 574 . 1 1 86 86 ALA HB3 H 1 1.430 0.02 . 1 . . . . 86 ALA HB . 15930 1 575 . 1 1 86 86 ALA CB C 13 18.452 0.2 . 1 . . . . 86 ALA CB . 15930 1 576 . 1 1 86 86 ALA N N 15 120.272 0.2 . 1 . . . . 86 ALA N . 15930 1 577 . 1 1 87 87 LYS H H 1 8.014 0.02 . 1 . . . . 87 LYS H . 15930 1 578 . 1 1 87 87 LYS HA H 1 4.014 0.02 . 1 . . . . 87 LYS HA . 15930 1 579 . 1 1 87 87 LYS HB2 H 1 1.885 0.02 . 1 . . . . 87 LYS HB2 . 15930 1 580 . 1 1 87 87 LYS CA C 13 58.667 0.2 . 1 . . . . 87 LYS CA . 15930 1 581 . 1 1 87 87 LYS CB C 13 32.591 0.2 . 1 . . . . 87 LYS CB . 15930 1 582 . 1 1 87 87 LYS CE C 13 42.009 0.2 . 1 . . . . 87 LYS CE . 15930 1 583 . 1 1 87 87 LYS CG C 13 25.278 0.2 . 1 . . . . 87 LYS CG . 15930 1 584 . 1 1 87 87 LYS N N 15 118.002 0.2 . 1 . . . . 87 LYS N . 15930 1 585 . 1 1 88 88 ALA H H 1 7.954 0.02 . 1 . . . . 88 ALA H . 15930 1 586 . 1 1 88 88 ALA HA H 1 3.987 0.02 . 1 . . . . 88 ALA HA . 15930 1 587 . 1 1 88 88 ALA HB1 H 1 1.430 0.02 . 1 . . . . 88 ALA HB . 15930 1 588 . 1 1 88 88 ALA HB2 H 1 1.430 0.02 . 1 . . . . 88 ALA HB . 15930 1 589 . 1 1 88 88 ALA HB3 H 1 1.430 0.02 . 1 . . . . 88 ALA HB . 15930 1 590 . 1 1 88 88 ALA CA C 13 54.942 0.2 . 1 . . . . 88 ALA CA . 15930 1 591 . 1 1 88 88 ALA CB C 13 18.254 0.2 . 1 . . . . 88 ALA CB . 15930 1 592 . 1 1 88 88 ALA N N 15 122.207 0.2 . 1 . . . . 88 ALA N . 15930 1 593 . 1 1 89 89 LEU H H 1 7.722 0.02 . 1 . . . . 89 LEU H . 15930 1 594 . 1 1 89 89 LEU HA H 1 4.306 0.02 . 1 . . . . 89 LEU HA . 15930 1 595 . 1 1 89 89 LEU HB2 H 1 1.553 0.02 . 1 . . . . 89 LEU HB2 . 15930 1 596 . 1 1 89 89 LEU CA C 13 55.179 0.2 . 1 . . . . 89 LEU CA . 15930 1 597 . 1 1 89 89 LEU CB C 13 42.668 0.2 . 1 . . . . 89 LEU CB . 15930 1 598 . 1 1 89 89 LEU CD1 C 13 24.856 0.2 . 2 . . . . 89 LEU CD1 . 15930 1 599 . 1 1 89 89 LEU CD2 C 13 23.364 0.2 . 2 . . . . 89 LEU CD2 . 15930 1 600 . 1 1 89 89 LEU N N 15 117.810 0.2 . 1 . . . . 89 LEU N . 15930 1 601 . 1 1 90 90 ARG H H 1 7.915 0.02 . 1 . . . . 90 ARG H . 15930 1 602 . 1 1 90 90 ARG HA H 1 4.115 0.02 . 1 . . . . 90 ARG HA . 15930 1 603 . 1 1 90 90 ARG HB2 H 1 1.743 0.02 . 2 . . . . 90 ARG HB2 . 15930 1 604 . 1 1 90 90 ARG HB3 H 1 1.545 0.02 . 2 . . . . 90 ARG HB3 . 15930 1 605 . 1 1 90 90 ARG CA C 13 57.930 0.2 . 1 . . . . 90 ARG CA . 15930 1 606 . 1 1 90 90 ARG CB C 13 30.367 0.2 . 1 . . . . 90 ARG CB . 15930 1 607 . 1 1 90 90 ARG CD C 13 43.495 0.2 . 1 . . . . 90 ARG CD . 15930 1 608 . 1 1 90 90 ARG CG C 13 27.525 0.2 . 1 . . . . 90 ARG CG . 15930 1 609 . 1 1 90 90 ARG N N 15 120.775 0.2 . 1 . . . . 90 ARG N . 15930 1 610 . 1 1 91 91 LYS H H 1 7.744 0.02 . 1 . . . . 91 LYS H . 15930 1 611 . 1 1 91 91 LYS HA H 1 4.211 0.02 . 1 . . . . 91 LYS HA . 15930 1 612 . 1 1 91 91 LYS HB2 H 1 1.837 0.02 . 1 . . . . 91 LYS HB2 . 15930 1 613 . 1 1 91 91 LYS CA C 13 56.830 0.2 . 1 . . . . 91 LYS CA . 15930 1 614 . 1 1 91 91 LYS CB C 13 33.188 0.2 . 1 . . . . 91 LYS CB . 15930 1 615 . 1 1 91 91 LYS CD C 13 29.093 0.2 . 1 . . . . 91 LYS CD . 15930 1 616 . 1 1 91 91 LYS CE C 13 42.213 0.2 . 1 . . . . 91 LYS CE . 15930 1 617 . 1 1 91 91 LYS CG C 13 25.038 0.2 . 1 . . . . 91 LYS CG . 15930 1 618 . 1 1 91 91 LYS N N 15 118.576 0.2 . 1 . . . . 91 LYS N . 15930 1 619 . 1 1 92 92 LEU H H 1 7.774 0.02 . 1 . . . . 92 LEU H . 15930 1 620 . 1 1 92 92 LEU HA H 1 4.224 0.02 . 1 . . . . 92 LEU HA . 15930 1 621 . 1 1 92 92 LEU HB2 H 1 1.673 0.02 . 2 . . . . 92 LEU HB2 . 15930 1 622 . 1 1 92 92 LEU HB3 H 1 1.498 0.02 . 2 . . . . 92 LEU HB3 . 15930 1 623 . 1 1 92 92 LEU CA C 13 55.425 0.2 . 1 . . . . 92 LEU CA . 15930 1 624 . 1 1 92 92 LEU CB C 13 42.503 0.2 . 1 . . . . 92 LEU CB . 15930 1 625 . 1 1 92 92 LEU CD1 C 13 25.082 0.2 . 2 . . . . 92 LEU CD1 . 15930 1 626 . 1 1 92 92 LEU CD2 C 13 23.373 0.2 . 2 . . . . 92 LEU CD2 . 15930 1 627 . 1 1 92 92 LEU CG C 13 27.177 0.2 . 1 . . . . 92 LEU CG . 15930 1 628 . 1 1 92 92 LEU N N 15 120.373 0.2 . 1 . . . . 92 LEU N . 15930 1 629 . 1 1 93 93 ARG H H 1 8.022 0.02 . 1 . . . . 93 ARG H . 15930 1 630 . 1 1 93 93 ARG HA H 1 4.197 0.02 . 1 . . . . 93 ARG HA . 15930 1 631 . 1 1 93 93 ARG HB2 H 1 1.707 0.02 . 1 . . . . 93 ARG HB2 . 15930 1 632 . 1 1 93 93 ARG CA C 13 56.233 0.2 . 1 . . . . 93 ARG CA . 15930 1 633 . 1 1 93 93 ARG CB C 13 30.789 0.2 . 1 . . . . 93 ARG CB . 15930 1 634 . 1 1 93 93 ARG CD C 13 43.316 0.2 . 1 . . . . 93 ARG CD . 15930 1 635 . 1 1 93 93 ARG CG C 13 27.165 0.2 . 1 . . . . 93 ARG CG . 15930 1 636 . 1 1 93 93 ARG N N 15 119.664 0.2 . 1 . . . . 93 ARG N . 15930 1 637 . 1 1 94 94 HIS H H 1 8.334 0.02 . 1 . . . . 94 HIS H . 15930 1 638 . 1 1 94 94 HIS HA H 1 4.478 0.02 . 1 . . . . 94 HIS HA . 15930 1 639 . 1 1 94 94 HIS N N 15 118.400 0.2 . 1 . . . . 94 HIS N . 15930 1 640 . 1 1 95 95 PRO HA H 1 4.478 0.02 . 1 . . . . 95 PRO HA . 15930 1 641 . 1 1 95 95 PRO HB2 H 1 2.219 0.02 . 2 . . . . 95 PRO HB2 . 15930 1 642 . 1 1 95 95 PRO HB3 H 1 1.907 0.02 . 2 . . . . 95 PRO HB3 . 15930 1 643 . 1 1 95 95 PRO CA C 13 63.185 0.2 . 1 . . . . 95 PRO CA . 15930 1 644 . 1 1 95 95 PRO CB C 13 32.474 0.2 . 1 . . . . 95 PRO CB . 15930 1 645 . 1 1 95 95 PRO CD C 13 50.514 0.2 . 1 . . . . 95 PRO CD . 15930 1 646 . 1 1 95 95 PRO CG C 13 27.177 0.2 . 1 . . . . 95 PRO CG . 15930 1 647 . 1 1 96 96 SER H H 1 8.308 0.02 . 1 . . . . 96 SER H . 15930 1 648 . 1 1 96 96 SER HA H 1 4.499 0.02 . 1 . . . . 96 SER HA . 15930 1 649 . 1 1 96 96 SER HB2 H 1 4.029 0.02 . 2 . . . . 96 SER HB2 . 15930 1 650 . 1 1 96 96 SER HB3 H 1 3.885 0.02 . 2 . . . . 96 SER HB3 . 15930 1 651 . 1 1 96 96 SER CA C 13 57.661 0.2 . 1 . . . . 96 SER CA . 15930 1 652 . 1 1 96 96 SER CB C 13 64.402 0.2 . 1 . . . . 96 SER CB . 15930 1 653 . 1 1 96 96 SER N N 15 116.230 0.2 . 1 . . . . 96 SER N . 15930 1 654 . 1 1 97 97 ARG H H 1 8.574 0.02 . 1 . . . . 97 ARG H . 15930 1 655 . 1 1 97 97 ARG HA H 1 4.190 0.02 . 1 . . . . 97 ARG HA . 15930 1 656 . 1 1 97 97 ARG HB2 H 1 1.834 0.02 . 1 . . . . 97 ARG HB2 . 15930 1 657 . 1 1 97 97 ARG CA C 13 57.906 0.2 . 1 . . . . 97 ARG CA . 15930 1 658 . 1 1 97 97 ARG CB C 13 30.308 0.2 . 1 . . . . 97 ARG CB . 15930 1 659 . 1 1 97 97 ARG CD C 13 43.410 0.2 . 1 . . . . 97 ARG CD . 15930 1 660 . 1 1 97 97 ARG CG C 13 27.200 0.2 . 1 . . . . 97 ARG CG . 15930 1 661 . 1 1 97 97 ARG N N 15 122.514 0.2 . 1 . . . . 97 ARG N . 15930 1 662 . 1 1 98 98 SER H H 1 8.262 0.02 . 1 . . . . 98 SER H . 15930 1 663 . 1 1 98 98 SER HA H 1 4.260 0.02 . 1 . . . . 98 SER HA . 15930 1 664 . 1 1 98 98 SER HB2 H 1 3.883 0.02 . 1 . . . . 98 SER HB2 . 15930 1 665 . 1 1 98 98 SER CA C 13 59.803 0.2 . 1 . . . . 98 SER CA . 15930 1 666 . 1 1 98 98 SER CB C 13 63.313 0.2 . 1 . . . . 98 SER CB . 15930 1 667 . 1 1 98 98 SER N N 15 114.336 0.2 . 1 . . . . 98 SER N . 15930 1 668 . 1 1 99 99 GLU H H 1 8.011 0.02 . 1 . . . . 99 GLU H . 15930 1 669 . 1 1 99 99 GLU HA H 1 4.208 0.02 . 1 . . . . 99 GLU HA . 15930 1 670 . 1 1 99 99 GLU HB2 H 1 2.065 0.02 . 1 . . . . 99 GLU HB2 . 15930 1 671 . 1 1 99 99 GLU CA C 13 57.169 0.02 . 1 . . . . 99 GLU CA . 15930 1 672 . 1 1 99 99 GLU CB C 13 29.033 0.2 . 1 . . . . 99 GLU CB . 15930 1 673 . 1 1 99 99 GLU CG C 13 33.672 0.2 . 1 . . . . 99 GLU CG . 15930 1 674 . 1 1 99 99 GLU N N 15 121.910 0.2 . 1 . . . . 99 GLU N . 15930 1 675 . 1 1 100 100 VAL H H 1 7.981 0.02 . 1 . . . . 100 VAL H . 15930 1 676 . 1 1 100 100 VAL HA H 1 4.369 0.02 . 1 . . . . 100 VAL HA . 15930 1 677 . 1 1 100 100 VAL HB H 1 2.030 0.02 . 1 . . . . 100 VAL HB . 15930 1 678 . 1 1 100 100 VAL CA C 13 64.133 0.2 . 1 . . . . 100 VAL CA . 15930 1 679 . 1 1 100 100 VAL CB C 13 32.415 0.2 . 1 . . . . 100 VAL CB . 15930 1 680 . 1 1 100 100 VAL N N 15 120.441 0.2 . 1 . . . . 100 VAL N . 15930 1 681 . 1 1 101 101 LEU H H 1 8.086 0.02 . 1 . . . . 101 LEU H . 15930 1 682 . 1 1 101 101 LEU HA H 1 4.004 0.02 . 1 . . . . 101 LEU HA . 15930 1 683 . 1 1 101 101 LEU HB2 H 1 1.562 0.02 . 1 . . . . 101 LEU HB2 . 15930 1 684 . 1 1 101 101 LEU CA C 13 55.365 0.2 . 1 . . . . 101 LEU CA . 15930 1 685 . 1 1 101 101 LEU CB C 13 42.106 0.2 . 1 . . . . 101 LEU CB . 15930 1 686 . 1 1 101 101 LEU CD1 C 13 24.754 0.2 . 2 . . . . 101 LEU CD1 . 15930 1 687 . 1 1 101 101 LEU CD2 C 13 23.607 0.2 . 2 . . . . 101 LEU CD2 . 15930 1 688 . 1 1 101 101 LEU CG C 13 27.200 0.2 . 1 . . . . 101 LEU CG . 15930 1 689 . 1 1 101 101 LEU N N 15 124.151 0.2 . 1 . . . . 101 LEU N . 15930 1 690 . 1 1 102 102 ARG H H 1 8.128 0.02 . 1 . . . . 102 ARG H . 15930 1 691 . 1 1 102 102 ARG HA H 1 4.131 0.02 . 1 . . . . 102 ARG HA . 15930 1 692 . 1 1 102 102 ARG HB2 H 1 1.798 0.02 . 1 . . . . 102 ARG HB2 . 15930 1 693 . 1 1 102 102 ARG CA C 13 57.473 0.2 . 1 . . . . 102 ARG CA . 15930 1 694 . 1 1 102 102 ARG CB C 13 30.308 0.2 . 1 . . . . 102 ARG CB . 15930 1 695 . 1 1 102 102 ARG CD C 13 43.387 0.2 . 1 . . . . 102 ARG CD . 15930 1 696 . 1 1 102 102 ARG CG C 13 27.247 0.2 . 1 . . . . 102 ARG CG . 15930 1 697 . 1 1 102 102 ARG N N 15 120.522 0.2 . 1 . . . . 102 ARG N . 15930 1 698 . 1 1 103 103 SER H H 1 7.927 0.02 . 1 . . . . 103 SER H . 15930 1 699 . 1 1 103 103 SER HA H 1 4.295 0.02 . 1 . . . . 103 SER HA . 15930 1 700 . 1 1 103 103 SER HB2 H 1 3.797 0.02 . 1 . . . . 103 SER HB2 . 15930 1 701 . 1 1 103 103 SER CA C 13 59.639 0.2 . 1 . . . . 103 SER CA . 15930 1 702 . 1 1 103 103 SER CB C 13 63.723 0.2 . 1 . . . . 103 SER CB . 15930 1 703 . 1 1 103 103 SER N N 15 114.858 0.2 . 1 . . . . 103 SER N . 15930 1 704 . 1 1 104 104 PHE H H 1 7.924 0.02 . 1 . . . . 104 PHE H . 15930 1 705 . 1 1 104 104 PHE HA H 1 4.541 0.02 . 1 . . . . 104 PHE HA . 15930 1 706 . 1 1 104 104 PHE HB2 H 1 3.093 0.02 . 1 . . . . 104 PHE HB2 . 15930 1 707 . 1 1 104 104 PHE CB C 13 39.520 0.2 . 1 . . . . 104 PHE CB . 15930 1 708 . 1 1 104 104 PHE N N 15 120.667 0.2 . 1 . . . . 104 PHE N . 15930 1 709 . 1 1 105 105 LEU H H 1 7.877 0.02 . 1 . . . . 105 LEU H . 15930 1 710 . 1 1 105 105 LEU HA H 1 4.077 0.02 . 1 . . . . 105 LEU HA . 15930 1 711 . 1 1 105 105 LEU HB2 H 1 1.621 0.02 . 1 . . . . 105 LEU HB2 . 15930 1 712 . 1 1 105 105 LEU CA C 13 55.484 0.2 . 1 . . . . 105 LEU CA . 15930 1 713 . 1 1 105 105 LEU CB C 13 42.375 0.2 . 1 . . . . 105 LEU CB . 15930 1 714 . 1 1 105 105 LEU CD1 C 13 24.988 0.2 . 2 . . . . 105 LEU CD1 . 15930 1 715 . 1 1 105 105 LEU CD2 C 13 23.349 0.2 . 2 . . . . 105 LEU CD2 . 15930 1 716 . 1 1 105 105 LEU CG C 13 27.188 0.2 . 1 . . . . 105 LEU CG . 15930 1 717 . 1 1 105 105 LEU N N 15 120.211 0.2 . 1 . . . . 105 LEU N . 15930 1 718 . 1 1 106 106 ASP H H 1 8.058 0.02 . 1 . . . . 106 ASP H . 15930 1 719 . 1 1 106 106 ASP HA H 1 4.683 0.02 . 1 . . . . 106 ASP HA . 15930 1 720 . 1 1 106 106 ASP HB2 H 1 2.919 0.02 . 2 . . . . 106 ASP HB2 . 15930 1 721 . 1 1 106 106 ASP HB3 H 1 2.753 0.02 . 2 . . . . 106 ASP HB3 . 15930 1 722 . 1 1 106 106 ASP CA C 13 53.003 0.2 . 1 . . . . 106 ASP CA . 15930 1 723 . 1 1 106 106 ASP CB C 13 38.501 0.2 . 1 . . . . 106 ASP CB . 15930 1 724 . 1 1 106 106 ASP N N 15 118.045 0.2 . 1 . . . . 106 ASP N . 15930 1 725 . 1 1 107 107 ASP H H 1 7.882 0.02 . 1 . . . . 107 ASP H . 15930 1 726 . 1 1 107 107 ASP N N 15 120.920 0.2 . 1 . . . . 107 ASP N . 15930 1 stop_ save_