################################### # 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 11020 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.4 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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 8 '3D 1H-15N NOESY' . . . 11020 1 9 '3D 1H-13C NOESY' . . . 11020 1 10 '2D 1H-1H NOESY' . . . 11020 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 4 $CARA . . 11020 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 3 3 PHE CA C 13 54.912 0.400 . 1 . . . . 3 PHE CA . 11020 1 2 . 1 1 3 3 PHE HA H 1 4.627 0.020 . 1 . . . . 3 PHE HA . 11020 1 3 . 1 1 3 3 PHE CB C 13 36.713 0.400 . 1 . . . . 3 PHE CB . 11020 1 4 . 1 1 3 3 PHE HB3 H 1 2.964 0.020 . 2 . . . . 3 PHE HB3 . 11020 1 5 . 1 1 3 3 PHE HB2 H 1 3.072 0.020 . 2 . . . . 3 PHE HB2 . 11020 1 6 . 1 1 4 4 THR N N 15 116.900 0.400 . 1 . . . . 4 THR N . 11020 1 7 . 1 1 4 4 THR H H 1 7.973 0.020 . 1 . . . . 4 THR H . 11020 1 8 . 1 1 4 4 THR CA C 13 58.702 0.400 . 1 . . . . 4 THR CA . 11020 1 9 . 1 1 4 4 THR HA H 1 4.189 0.020 . 1 . . . . 4 THR HA . 11020 1 10 . 1 1 4 4 THR CB C 13 67.100 0.400 . 1 . . . . 4 THR CB . 11020 1 11 . 1 1 4 4 THR HB H 1 3.972 0.020 . 1 . . . . 4 THR HB . 11020 1 12 . 1 1 4 4 THR HG21 H 1 1.066 0.020 . 1 . . . . 4 THR HG2 . 11020 1 13 . 1 1 4 4 THR HG22 H 1 1.066 0.020 . 1 . . . . 4 THR HG2 . 11020 1 14 . 1 1 4 4 THR HG23 H 1 1.066 0.020 . 1 . . . . 4 THR HG2 . 11020 1 15 . 1 1 4 4 THR CG2 C 13 19.011 0.400 . 1 . . . . 4 THR CG2 . 11020 1 16 . 1 1 5 5 MET N N 15 123.843 0.400 . 1 . . . . 5 MET N . 11020 1 17 . 1 1 5 5 MET H H 1 8.215 0.020 . 1 . . . . 5 MET H . 11020 1 18 . 1 1 5 5 MET CA C 13 50.500 0.400 . 1 . . . . 5 MET CA . 11020 1 19 . 1 1 5 5 MET HA H 1 4.675 0.020 . 1 . . . . 5 MET HA . 11020 1 20 . 1 1 5 5 MET CB C 13 29.704 0.400 . 1 . . . . 5 MET CB . 11020 1 21 . 1 1 5 5 MET HB3 H 1 1.845 0.020 . 2 . . . . 5 MET HB3 . 11020 1 22 . 1 1 5 5 MET CG C 13 29.276 0.400 . 1 . . . . 5 MET CG . 11020 1 23 . 1 1 5 5 MET HG3 H 1 2.514 0.020 . 2 . . . . 5 MET HG3 . 11020 1 24 . 1 1 5 5 MET HB2 H 1 2.011 0.020 . 2 . . . . 5 MET HB2 . 11020 1 25 . 1 1 5 5 MET HG2 H 1 2.557 0.020 . 2 . . . . 5 MET HG2 . 11020 1 26 . 1 1 6 6 PRO CD C 13 47.818 0.400 . 1 . . . . 6 PRO CD . 11020 1 27 . 1 1 6 6 PRO CA C 13 60.400 0.400 . 1 . . . . 6 PRO CA . 11020 1 28 . 1 1 6 6 PRO HA H 1 4.305 0.020 . 1 . . . . 6 PRO HA . 11020 1 29 . 1 1 6 6 PRO CB C 13 29.210 0.400 . 1 . . . . 6 PRO CB . 11020 1 30 . 1 1 6 6 PRO HB3 H 1 1.841 0.020 . 2 . . . . 6 PRO HB3 . 11020 1 31 . 1 1 6 6 PRO CG C 13 24.600 0.400 . 1 . . . . 6 PRO CG . 11020 1 32 . 1 1 6 6 PRO HG3 H 1 1.950 0.020 . 2 . . . . 6 PRO HG3 . 11020 1 33 . 1 1 6 6 PRO HD3 H 1 3.586 0.020 . 2 . . . . 6 PRO HD3 . 11020 1 34 . 1 1 6 6 PRO HB2 H 1 2.217 0.020 . 2 . . . . 6 PRO HB2 . 11020 1 35 . 1 1 6 6 PRO HD2 H 1 3.731 0.020 . 2 . . . . 6 PRO HD2 . 11020 1 36 . 1 1 6 6 PRO HG2 H 1 1.950 0.020 . 2 . . . . 6 PRO HG2 . 11020 1 37 . 1 1 7 7 GLY N N 15 108.790 0.400 . 1 . . . . 7 GLY N . 11020 1 38 . 1 1 7 7 GLY H H 1 8.359 0.020 . 1 . . . . 7 GLY H . 11020 1 39 . 1 1 7 7 GLY CA C 13 42.509 0.400 . 1 . . . . 7 GLY CA . 11020 1 40 . 1 1 7 7 GLY HA3 H 1 3.836 0.020 . 2 . . . . 7 GLY HA3 . 11020 1 41 . 1 1 7 7 GLY HA2 H 1 3.836 0.020 . 2 . . . . 7 GLY HA2 . 11020 1 42 . 1 1 8 8 LEU N N 15 121.328 0.400 . 1 . . . . 8 LEU N . 11020 1 43 . 1 1 8 8 LEU H H 1 7.900 0.020 . 1 . . . . 8 LEU H . 11020 1 44 . 1 1 8 8 LEU CA C 13 52.438 0.400 . 1 . . . . 8 LEU CA . 11020 1 45 . 1 1 8 8 LEU HA H 1 4.328 0.020 . 1 . . . . 8 LEU HA . 11020 1 46 . 1 1 8 8 LEU CB C 13 39.669 0.400 . 1 . . . . 8 LEU CB . 11020 1 47 . 1 1 8 8 LEU HB3 H 1 1.542 0.020 . 2 . . . . 8 LEU HB3 . 11020 1 48 . 1 1 8 8 LEU CG C 13 24.215 0.400 . 1 . . . . 8 LEU CG . 11020 1 49 . 1 1 8 8 LEU HG H 1 1.540 0.020 . 1 . . . . 8 LEU HG . 11020 1 50 . 1 1 8 8 LEU HD11 H 1 0.890 0.020 . 2 . . . . 8 LEU HD1 . 11020 1 51 . 1 1 8 8 LEU HD12 H 1 0.890 0.020 . 2 . . . . 8 LEU HD1 . 11020 1 52 . 1 1 8 8 LEU HD13 H 1 0.890 0.020 . 2 . . . . 8 LEU HD1 . 11020 1 53 . 1 1 8 8 LEU HD21 H 1 0.806 0.020 . 2 . . . . 8 LEU HD2 . 11020 1 54 . 1 1 8 8 LEU HD22 H 1 0.806 0.020 . 2 . . . . 8 LEU HD2 . 11020 1 55 . 1 1 8 8 LEU HD23 H 1 0.806 0.020 . 2 . . . . 8 LEU HD2 . 11020 1 56 . 1 1 8 8 LEU CD1 C 13 22.208 0.400 . 1 . . . . 8 LEU CD1 . 11020 1 57 . 1 1 8 8 LEU CD2 C 13 20.924 0.400 . 1 . . . . 8 LEU CD2 . 11020 1 58 . 1 1 8 8 LEU HB2 H 1 1.542 0.020 . 2 . . . . 8 LEU HB2 . 11020 1 59 . 1 1 9 9 VAL N N 15 120.281 0.400 . 1 . . . . 9 VAL N . 11020 1 60 . 1 1 9 9 VAL H H 1 8.021 0.020 . 1 . . . . 9 VAL H . 11020 1 61 . 1 1 9 9 VAL CA C 13 59.319 0.400 . 1 . . . . 9 VAL CA . 11020 1 62 . 1 1 9 9 VAL HA H 1 4.040 0.020 . 1 . . . . 9 VAL HA . 11020 1 63 . 1 1 9 9 VAL CB C 13 30.383 0.400 . 1 . . . . 9 VAL CB . 11020 1 64 . 1 1 9 9 VAL HB H 1 1.977 0.020 . 1 . . . . 9 VAL HB . 11020 1 65 . 1 1 9 9 VAL HG11 H 1 0.831 0.020 . 2 . . . . 9 VAL HG1 . 11020 1 66 . 1 1 9 9 VAL HG12 H 1 0.831 0.020 . 2 . . . . 9 VAL HG1 . 11020 1 67 . 1 1 9 9 VAL HG13 H 1 0.831 0.020 . 2 . . . . 9 VAL HG1 . 11020 1 68 . 1 1 9 9 VAL HG21 H 1 0.840 0.020 . 2 . . . . 9 VAL HG2 . 11020 1 69 . 1 1 9 9 VAL HG22 H 1 0.840 0.020 . 2 . . . . 9 VAL HG2 . 11020 1 70 . 1 1 9 9 VAL HG23 H 1 0.840 0.020 . 2 . . . . 9 VAL HG2 . 11020 1 71 . 1 1 9 9 VAL CG1 C 13 17.724 0.400 . 1 . . . . 9 VAL CG1 . 11020 1 72 . 1 1 9 9 VAL CG2 C 13 18.300 0.400 . 1 . . . . 9 VAL CG2 . 11020 1 73 . 1 1 10 10 ASP N N 15 123.943 0.400 . 1 . . . . 10 ASP N . 11020 1 74 . 1 1 10 10 ASP H H 1 8.276 0.020 . 1 . . . . 10 ASP H . 11020 1 75 . 1 1 10 10 ASP CA C 13 51.462 0.400 . 1 . . . . 10 ASP CA . 11020 1 76 . 1 1 10 10 ASP HA H 1 4.500 0.020 . 1 . . . . 10 ASP HA . 11020 1 77 . 1 1 10 10 ASP CB C 13 38.495 0.400 . 1 . . . . 10 ASP CB . 11020 1 78 . 1 1 10 10 ASP HB3 H 1 2.629 0.020 . 2 . . . . 10 ASP HB3 . 11020 1 79 . 1 1 10 10 ASP HB2 H 1 2.519 0.020 . 2 . . . . 10 ASP HB2 . 11020 1 80 . 1 1 11 11 SER N N 15 115.981 0.400 . 1 . . . . 11 SER N . 11020 1 81 . 1 1 11 11 SER H H 1 8.111 0.020 . 1 . . . . 11 SER H . 11020 1 82 . 1 1 11 11 SER CA C 13 55.576 0.400 . 1 . . . . 11 SER CA . 11020 1 83 . 1 1 11 11 SER HA H 1 4.307 0.020 . 1 . . . . 11 SER HA . 11020 1 84 . 1 1 11 11 SER CB C 13 61.117 0.400 . 1 . . . . 11 SER CB . 11020 1 85 . 1 1 11 11 SER HB3 H 1 3.766 0.020 . 2 . . . . 11 SER HB3 . 11020 1 86 . 1 1 11 11 SER HB2 H 1 3.766 0.020 . 2 . . . . 11 SER HB2 . 11020 1 87 . 1 1 12 12 ASN N N 15 121.260 0.400 . 1 . . . . 12 ASN N . 11020 1 88 . 1 1 12 12 ASN H H 1 8.348 0.020 . 1 . . . . 12 ASN H . 11020 1 89 . 1 1 12 12 ASN CA C 13 48.800 0.400 . 1 . . . . 12 ASN CA . 11020 1 90 . 1 1 12 12 ASN HA H 1 4.883 0.020 . 1 . . . . 12 ASN HA . 11020 1 91 . 1 1 12 12 ASN CB C 13 36.200 0.400 . 1 . . . . 12 ASN CB . 11020 1 92 . 1 1 12 12 ASN HB3 H 1 2.594 0.020 . 2 . . . . 12 ASN HB3 . 11020 1 93 . 1 1 12 12 ASN ND2 N 15 113.403 0.400 . 1 . . . . 12 ASN ND2 . 11020 1 94 . 1 1 12 12 ASN HD21 H 1 7.592 0.020 . 2 . . . . 12 ASN HD21 . 11020 1 95 . 1 1 12 12 ASN HD22 H 1 6.821 0.020 . 2 . . . . 12 ASN HD22 . 11020 1 96 . 1 1 12 12 ASN HB2 H 1 2.702 0.020 . 2 . . . . 12 ASN HB2 . 11020 1 97 . 1 1 13 13 PRO CD C 13 47.724 0.400 . 1 . . . . 13 PRO CD . 11020 1 98 . 1 1 13 13 PRO CA C 13 60.313 0.400 . 1 . . . . 13 PRO CA . 11020 1 99 . 1 1 13 13 PRO HA H 1 4.307 0.020 . 1 . . . . 13 PRO HA . 11020 1 100 . 1 1 13 13 PRO CB C 13 29.305 0.400 . 1 . . . . 13 PRO CB . 11020 1 101 . 1 1 13 13 PRO HB3 H 1 1.826 0.020 . 2 . . . . 13 PRO HB3 . 11020 1 102 . 1 1 13 13 PRO CG C 13 24.414 0.400 . 1 . . . . 13 PRO CG . 11020 1 103 . 1 1 13 13 PRO HG3 H 1 1.900 0.020 . 2 . . . . 13 PRO HG3 . 11020 1 104 . 1 1 13 13 PRO HD3 H 1 3.740 0.020 . 2 . . . . 13 PRO HD3 . 11020 1 105 . 1 1 13 13 PRO HB2 H 1 2.146 0.020 . 2 . . . . 13 PRO HB2 . 11020 1 106 . 1 1 13 13 PRO HD2 H 1 3.664 0.020 . 2 . . . . 13 PRO HD2 . 11020 1 107 . 1 1 13 13 PRO HG2 H 1 1.940 0.020 . 2 . . . . 13 PRO HG2 . 11020 1 108 . 1 1 14 14 ALA N N 15 125.248 0.400 . 1 . . . . 14 ALA N . 11020 1 109 . 1 1 14 14 ALA H H 1 8.250 0.020 . 1 . . . . 14 ALA H . 11020 1 110 . 1 1 14 14 ALA CA C 13 47.593 0.400 . 1 . . . . 14 ALA CA . 11020 1 111 . 1 1 14 14 ALA HA H 1 4.481 0.020 . 1 . . . . 14 ALA HA . 11020 1 112 . 1 1 14 14 ALA HB1 H 1 1.248 0.020 . 1 . . . . 14 ALA HB . 11020 1 113 . 1 1 14 14 ALA HB2 H 1 1.248 0.020 . 1 . . . . 14 ALA HB . 11020 1 114 . 1 1 14 14 ALA HB3 H 1 1.248 0.020 . 1 . . . . 14 ALA HB . 11020 1 115 . 1 1 14 14 ALA CB C 13 15.436 0.400 . 1 . . . . 14 ALA CB . 11020 1 116 . 1 1 15 15 PRO CD C 13 47.522 0.400 . 1 . . . . 15 PRO CD . 11020 1 117 . 1 1 15 15 PRO CA C 13 58.657 0.400 . 1 . . . . 15 PRO CA . 11020 1 118 . 1 1 15 15 PRO HA H 1 4.603 0.020 . 1 . . . . 15 PRO HA . 11020 1 119 . 1 1 15 15 PRO CB C 13 27.989 0.400 . 1 . . . . 15 PRO CB . 11020 1 120 . 1 1 15 15 PRO HB3 H 1 1.847 0.020 . 2 . . . . 15 PRO HB3 . 11020 1 121 . 1 1 15 15 PRO CG C 13 24.610 0.400 . 1 . . . . 15 PRO CG . 11020 1 122 . 1 1 15 15 PRO HG3 H 1 1.947 0.020 . 2 . . . . 15 PRO HG3 . 11020 1 123 . 1 1 15 15 PRO HD3 H 1 3.724 0.020 . 2 . . . . 15 PRO HD3 . 11020 1 124 . 1 1 15 15 PRO HB2 H 1 2.260 0.020 . 2 . . . . 15 PRO HB2 . 11020 1 125 . 1 1 15 15 PRO HD2 H 1 3.533 0.020 . 2 . . . . 15 PRO HD2 . 11020 1 126 . 1 1 15 15 PRO HG2 H 1 1.947 0.020 . 2 . . . . 15 PRO HG2 . 11020 1 127 . 1 1 16 16 PRO CD C 13 47.900 0.400 . 1 . . . . 16 PRO CD . 11020 1 128 . 1 1 16 16 PRO CA C 13 60.286 0.400 . 1 . . . . 16 PRO CA . 11020 1 129 . 1 1 16 16 PRO HA H 1 4.310 0.020 . 1 . . . . 16 PRO HA . 11020 1 130 . 1 1 16 16 PRO CB C 13 29.310 0.400 . 1 . . . . 16 PRO CB . 11020 1 131 . 1 1 16 16 PRO HB3 H 1 1.830 0.020 . 2 . . . . 16 PRO HB3 . 11020 1 132 . 1 1 16 16 PRO CG C 13 24.600 0.400 . 1 . . . . 16 PRO CG . 11020 1 133 . 1 1 16 16 PRO HG3 H 1 1.955 0.020 . 2 . . . . 16 PRO HG3 . 11020 1 134 . 1 1 16 16 PRO HD3 H 1 3.657 0.020 . 2 . . . . 16 PRO HD3 . 11020 1 135 . 1 1 16 16 PRO HB2 H 1 2.228 0.020 . 2 . . . . 16 PRO HB2 . 11020 1 136 . 1 1 16 16 PRO HD2 H 1 3.742 0.020 . 2 . . . . 16 PRO HD2 . 11020 1 137 . 1 1 16 16 PRO HG2 H 1 1.955 0.020 . 2 . . . . 16 PRO HG2 . 11020 1 138 . 1 1 17 17 GLU N N 15 120.026 0.400 . 1 . . . . 17 GLU N . 11020 1 139 . 1 1 17 17 GLU H H 1 8.556 0.020 . 1 . . . . 17 GLU H . 11020 1 140 . 1 1 17 17 GLU CA C 13 54.000 0.400 . 1 . . . . 17 GLU CA . 11020 1 141 . 1 1 17 17 GLU HA H 1 4.169 0.020 . 1 . . . . 17 GLU HA . 11020 1 142 . 1 1 17 17 GLU CB C 13 27.019 0.400 . 1 . . . . 17 GLU CB . 11020 1 143 . 1 1 17 17 GLU HB3 H 1 1.846 0.020 . 2 . . . . 17 GLU HB3 . 11020 1 144 . 1 1 17 17 GLU CG C 13 33.215 0.400 . 1 . . . . 17 GLU CG . 11020 1 145 . 1 1 17 17 GLU HG3 H 1 2.188 0.020 . 2 . . . . 17 GLU HG3 . 11020 1 146 . 1 1 17 17 GLU HB2 H 1 1.879 0.020 . 2 . . . . 17 GLU HB2 . 11020 1 147 . 1 1 17 17 GLU HG2 H 1 2.188 0.020 . 2 . . . . 17 GLU HG2 . 11020 1 148 . 1 1 18 18 SER N N 15 116.028 0.400 . 1 . . . . 18 SER N . 11020 1 149 . 1 1 18 18 SER H H 1 8.230 0.020 . 1 . . . . 18 SER H . 11020 1 150 . 1 1 18 18 SER CA C 13 55.500 0.400 . 1 . . . . 18 SER CA . 11020 1 151 . 1 1 18 18 SER HA H 1 4.315 0.020 . 1 . . . . 18 SER HA . 11020 1 152 . 1 1 18 18 SER CB C 13 61.187 0.400 . 1 . . . . 18 SER CB . 11020 1 153 . 1 1 18 18 SER HB3 H 1 3.836 0.020 . 2 . . . . 18 SER HB3 . 11020 1 154 . 1 1 18 18 SER HB2 H 1 3.754 0.020 . 2 . . . . 18 SER HB2 . 11020 1 155 . 1 1 19 19 GLN N N 15 121.301 0.400 . 1 . . . . 19 GLN N . 11020 1 156 . 1 1 19 19 GLN H H 1 8.252 0.020 . 1 . . . . 19 GLN H . 11020 1 157 . 1 1 19 19 GLN CA C 13 53.158 0.400 . 1 . . . . 19 GLN CA . 11020 1 158 . 1 1 19 19 GLN HA H 1 4.247 0.020 . 1 . . . . 19 GLN HA . 11020 1 159 . 1 1 19 19 GLN CB C 13 26.700 0.400 . 1 . . . . 19 GLN CB . 11020 1 160 . 1 1 19 19 GLN HB3 H 1 1.916 0.020 . 2 . . . . 19 GLN HB3 . 11020 1 161 . 1 1 19 19 GLN CG C 13 31.232 0.400 . 1 . . . . 19 GLN CG . 11020 1 162 . 1 1 19 19 GLN HG3 H 1 2.273 0.020 . 2 . . . . 19 GLN HG3 . 11020 1 163 . 1 1 19 19 GLN NE2 N 15 112.479 0.400 . 1 . . . . 19 GLN NE2 . 11020 1 164 . 1 1 19 19 GLN HE21 H 1 6.781 0.020 . 2 . . . . 19 GLN HE21 . 11020 1 165 . 1 1 19 19 GLN HE22 H 1 7.460 0.020 . 2 . . . . 19 GLN HE22 . 11020 1 166 . 1 1 19 19 GLN HB2 H 1 2.025 0.020 . 2 . . . . 19 GLN HB2 . 11020 1 167 . 1 1 19 19 GLN HG2 H 1 2.273 0.020 . 2 . . . . 19 GLN HG2 . 11020 1 168 . 1 1 20 20 GLU N N 15 121.916 0.400 . 1 . . . . 20 GLU N . 11020 1 169 . 1 1 20 20 GLU H H 1 8.245 0.020 . 1 . . . . 20 GLU H . 11020 1 170 . 1 1 20 20 GLU CA C 13 53.925 0.400 . 1 . . . . 20 GLU CA . 11020 1 171 . 1 1 20 20 GLU HA H 1 4.163 0.020 . 1 . . . . 20 GLU HA . 11020 1 172 . 1 1 20 20 GLU CB C 13 27.429 0.400 . 1 . . . . 20 GLU CB . 11020 1 173 . 1 1 20 20 GLU HB3 H 1 1.842 0.020 . 2 . . . . 20 GLU HB3 . 11020 1 174 . 1 1 20 20 GLU CG C 13 33.500 0.400 . 1 . . . . 20 GLU CG . 11020 1 175 . 1 1 20 20 GLU HG3 H 1 2.135 0.020 . 2 . . . . 20 GLU HG3 . 11020 1 176 . 1 1 20 20 GLU HB2 H 1 1.884 0.020 . 2 . . . . 20 GLU HB2 . 11020 1 177 . 1 1 20 20 GLU HG2 H 1 2.185 0.020 . 2 . . . . 20 GLU HG2 . 11020 1 178 . 1 1 21 21 LYS N N 15 122.504 0.400 . 1 . . . . 21 LYS N . 11020 1 179 . 1 1 21 21 LYS H H 1 8.253 0.020 . 1 . . . . 21 LYS H . 11020 1 180 . 1 1 21 21 LYS CA C 13 53.200 0.400 . 1 . . . . 21 LYS CA . 11020 1 181 . 1 1 21 21 LYS HA H 1 4.233 0.020 . 1 . . . . 21 LYS HA . 11020 1 182 . 1 1 21 21 LYS CB C 13 29.916 0.400 . 1 . . . . 21 LYS CB . 11020 1 183 . 1 1 21 21 LYS HB3 H 1 1.653 0.020 . 2 . . . . 21 LYS HB3 . 11020 1 184 . 1 1 21 21 LYS CG C 13 22.013 0.400 . 1 . . . . 21 LYS CG . 11020 1 185 . 1 1 21 21 LYS HG3 H 1 1.312 0.020 . 2 . . . . 21 LYS HG3 . 11020 1 186 . 1 1 21 21 LYS CD C 13 26.200 0.400 . 1 . . . . 21 LYS CD . 11020 1 187 . 1 1 21 21 LYS HD3 H 1 1.644 0.020 . 2 . . . . 21 LYS HD3 . 11020 1 188 . 1 1 21 21 LYS CE C 13 39.400 0.400 . 1 . . . . 21 LYS CE . 11020 1 189 . 1 1 21 21 LYS HE3 H 1 2.900 0.020 . 2 . . . . 21 LYS HE3 . 11020 1 190 . 1 1 21 21 LYS HB2 H 1 1.739 0.020 . 2 . . . . 21 LYS HB2 . 11020 1 191 . 1 1 21 21 LYS HD2 H 1 1.644 0.020 . 2 . . . . 21 LYS HD2 . 11020 1 192 . 1 1 21 21 LYS HE2 H 1 2.900 0.020 . 2 . . . . 21 LYS HE2 . 11020 1 193 . 1 1 21 21 LYS HG2 H 1 1.370 0.020 . 2 . . . . 21 LYS HG2 . 11020 1 194 . 1 1 22 22 LYS N N 15 123.789 0.400 . 1 . . . . 22 LYS N . 11020 1 195 . 1 1 22 22 LYS H H 1 8.213 0.020 . 1 . . . . 22 LYS H . 11020 1 196 . 1 1 22 22 LYS CA C 13 51.300 0.400 . 1 . . . . 22 LYS CA . 11020 1 197 . 1 1 22 22 LYS HA H 1 4.531 0.020 . 1 . . . . 22 LYS HA . 11020 1 198 . 1 1 22 22 LYS CB C 13 29.831 0.400 . 1 . . . . 22 LYS CB . 11020 1 199 . 1 1 22 22 LYS HB3 H 1 1.755 0.020 . 2 . . . . 22 LYS HB3 . 11020 1 200 . 1 1 22 22 LYS CG C 13 21.872 0.400 . 1 . . . . 22 LYS CG . 11020 1 201 . 1 1 22 22 LYS HG3 H 1 1.352 0.020 . 2 . . . . 22 LYS HG3 . 11020 1 202 . 1 1 22 22 LYS CD C 13 26.310 0.400 . 1 . . . . 22 LYS CD . 11020 1 203 . 1 1 22 22 LYS HD3 H 1 1.594 0.020 . 2 . . . . 22 LYS HD3 . 11020 1 204 . 1 1 22 22 LYS CE C 13 39.420 0.400 . 1 . . . . 22 LYS CE . 11020 1 205 . 1 1 22 22 LYS HE3 H 1 2.896 0.020 . 2 . . . . 22 LYS HE3 . 11020 1 206 . 1 1 22 22 LYS HB2 H 1 1.630 0.020 . 2 . . . . 22 LYS HB2 . 11020 1 207 . 1 1 22 22 LYS HD2 H 1 1.594 0.020 . 2 . . . . 22 LYS HD2 . 11020 1 208 . 1 1 22 22 LYS HE2 H 1 2.896 0.020 . 2 . . . . 22 LYS HE2 . 11020 1 209 . 1 1 22 22 LYS HG2 H 1 1.352 0.020 . 2 . . . . 22 LYS HG2 . 11020 1 210 . 1 1 23 23 PRO CD C 13 47.767 0.400 . 1 . . . . 23 PRO CD . 11020 1 211 . 1 1 23 23 PRO CA C 13 60.451 0.400 . 1 . . . . 23 PRO CA . 11020 1 212 . 1 1 23 23 PRO HA H 1 4.331 0.020 . 1 . . . . 23 PRO HA . 11020 1 213 . 1 1 23 23 PRO CB C 13 29.340 0.400 . 1 . . . . 23 PRO CB . 11020 1 214 . 1 1 23 23 PRO HB3 H 1 1.844 0.020 . 2 . . . . 23 PRO HB3 . 11020 1 215 . 1 1 23 23 PRO CG C 13 24.500 0.400 . 1 . . . . 23 PRO CG . 11020 1 216 . 1 1 23 23 PRO HG3 H 1 1.925 0.020 . 2 . . . . 23 PRO HG3 . 11020 1 217 . 1 1 23 23 PRO HD3 H 1 3.569 0.020 . 2 . . . . 23 PRO HD3 . 11020 1 218 . 1 1 23 23 PRO HB2 H 1 2.170 0.020 . 2 . . . . 23 PRO HB2 . 11020 1 219 . 1 1 23 23 PRO HD2 H 1 3.670 0.020 . 2 . . . . 23 PRO HD2 . 11020 1 220 . 1 1 23 23 PRO HG2 H 1 1.950 0.020 . 2 . . . . 23 PRO HG2 . 11020 1 221 . 1 1 24 24 LEU N N 15 122.817 0.400 . 1 . . . . 24 LEU N . 11020 1 222 . 1 1 24 24 LEU H H 1 8.180 0.020 . 1 . . . . 24 LEU H . 11020 1 223 . 1 1 24 24 LEU CA C 13 52.068 0.400 . 1 . . . . 24 LEU CA . 11020 1 224 . 1 1 24 24 LEU HA H 1 4.296 0.020 . 1 . . . . 24 LEU HA . 11020 1 225 . 1 1 24 24 LEU CB C 13 40.419 0.400 . 1 . . . . 24 LEU CB . 11020 1 226 . 1 1 24 24 LEU HB3 H 1 1.602 0.020 . 2 . . . . 24 LEU HB3 . 11020 1 227 . 1 1 24 24 LEU CG C 13 24.300 0.400 . 1 . . . . 24 LEU CG . 11020 1 228 . 1 1 24 24 LEU HG H 1 1.541 0.020 . 1 . . . . 24 LEU HG . 11020 1 229 . 1 1 24 24 LEU HD11 H 1 0.895 0.020 . 2 . . . . 24 LEU HD1 . 11020 1 230 . 1 1 24 24 LEU HD12 H 1 0.895 0.020 . 2 . . . . 24 LEU HD1 . 11020 1 231 . 1 1 24 24 LEU HD13 H 1 0.895 0.020 . 2 . . . . 24 LEU HD1 . 11020 1 232 . 1 1 24 24 LEU HD21 H 1 0.845 0.020 . 2 . . . . 24 LEU HD2 . 11020 1 233 . 1 1 24 24 LEU HD22 H 1 0.845 0.020 . 2 . . . . 24 LEU HD2 . 11020 1 234 . 1 1 24 24 LEU HD23 H 1 0.845 0.020 . 2 . . . . 24 LEU HD2 . 11020 1 235 . 1 1 24 24 LEU CD1 C 13 22.138 0.400 . 1 . . . . 24 LEU CD1 . 11020 1 236 . 1 1 24 24 LEU CD2 C 13 22.000 0.400 . 1 . . . . 24 LEU CD2 . 11020 1 237 . 1 1 24 24 LEU HB2 H 1 1.530 0.020 . 2 . . . . 24 LEU HB2 . 11020 1 238 . 1 1 25 25 LYS N N 15 124.092 0.400 . 1 . . . . 25 LYS N . 11020 1 239 . 1 1 25 25 LYS H H 1 8.384 0.020 . 1 . . . . 25 LYS H . 11020 1 240 . 1 1 25 25 LYS CA C 13 51.738 0.400 . 1 . . . . 25 LYS CA . 11020 1 241 . 1 1 25 25 LYS HA H 1 4.567 0.020 . 1 . . . . 25 LYS HA . 11020 1 242 . 1 1 25 25 LYS CB C 13 32.288 0.400 . 1 . . . . 25 LYS CB . 11020 1 243 . 1 1 25 25 LYS HB3 H 1 1.998 0.020 . 2 . . . . 25 LYS HB3 . 11020 1 244 . 1 1 25 25 LYS CG C 13 22.560 0.400 . 1 . . . . 25 LYS CG . 11020 1 245 . 1 1 25 25 LYS HG3 H 1 1.469 0.020 . 2 . . . . 25 LYS HG3 . 11020 1 246 . 1 1 25 25 LYS CD C 13 26.630 0.400 . 1 . . . . 25 LYS CD . 11020 1 247 . 1 1 25 25 LYS HD3 H 1 1.664 0.020 . 2 . . . . 25 LYS HD3 . 11020 1 248 . 1 1 25 25 LYS CE C 13 39.400 0.400 . 1 . . . . 25 LYS CE . 11020 1 249 . 1 1 25 25 LYS HE3 H 1 2.954 0.020 . 2 . . . . 25 LYS HE3 . 11020 1 250 . 1 1 25 25 LYS HB2 H 1 1.998 0.020 . 2 . . . . 25 LYS HB2 . 11020 1 251 . 1 1 25 25 LYS HD2 H 1 1.664 0.020 . 2 . . . . 25 LYS HD2 . 11020 1 252 . 1 1 25 25 LYS HE2 H 1 2.954 0.020 . 2 . . . . 25 LYS HE2 . 11020 1 253 . 1 1 25 25 LYS HG2 H 1 1.600 0.020 . 2 . . . . 25 LYS HG2 . 11020 1 254 . 1 1 26 26 PRO CD C 13 47.678 0.400 . 1 . . . . 26 PRO CD . 11020 1 255 . 1 1 26 26 PRO CA C 13 62.440 0.400 . 1 . . . . 26 PRO CA . 11020 1 256 . 1 1 26 26 PRO HA H 1 3.411 0.020 . 1 . . . . 26 PRO HA . 11020 1 257 . 1 1 26 26 PRO CB C 13 28.224 0.400 . 1 . . . . 26 PRO CB . 11020 1 258 . 1 1 26 26 PRO HB3 H 1 1.486 0.020 . 2 . . . . 26 PRO HB3 . 11020 1 259 . 1 1 26 26 PRO CG C 13 24.398 0.400 . 1 . . . . 26 PRO CG . 11020 1 260 . 1 1 26 26 PRO HG3 H 1 1.958 0.020 . 2 . . . . 26 PRO HG3 . 11020 1 261 . 1 1 26 26 PRO HD3 H 1 3.569 0.020 . 2 . . . . 26 PRO HD3 . 11020 1 262 . 1 1 26 26 PRO HB2 H 1 1.620 0.020 . 2 . . . . 26 PRO HB2 . 11020 1 263 . 1 1 26 26 PRO HD2 H 1 3.728 0.020 . 2 . . . . 26 PRO HD2 . 11020 1 264 . 1 1 26 26 PRO HG2 H 1 1.958 0.020 . 2 . . . . 26 PRO HG2 . 11020 1 265 . 1 1 27 27 CYS N N 15 112.533 0.400 . 1 . . . . 27 CYS N . 11020 1 266 . 1 1 27 27 CYS H H 1 7.366 0.020 . 1 . . . . 27 CYS H . 11020 1 267 . 1 1 27 27 CYS CA C 13 55.676 0.400 . 1 . . . . 27 CYS CA . 11020 1 268 . 1 1 27 27 CYS HA H 1 4.306 0.020 . 1 . . . . 27 CYS HA . 11020 1 269 . 1 1 27 27 CYS CB C 13 28.741 0.400 . 1 . . . . 27 CYS CB . 11020 1 270 . 1 1 27 27 CYS HB3 H 1 2.789 0.020 . 2 . . . . 27 CYS HB3 . 11020 1 271 . 1 1 27 27 CYS HB2 H 1 3.166 0.020 . 2 . . . . 27 CYS HB2 . 11020 1 272 . 1 1 28 28 CYS N N 15 124.463 0.400 . 1 . . . . 28 CYS N . 11020 1 273 . 1 1 28 28 CYS H H 1 7.669 0.020 . 1 . . . . 28 CYS H . 11020 1 274 . 1 1 28 28 CYS CA C 13 57.900 0.400 . 1 . . . . 28 CYS CA . 11020 1 275 . 1 1 28 28 CYS HA H 1 4.208 0.020 . 1 . . . . 28 CYS HA . 11020 1 276 . 1 1 28 28 CYS CB C 13 30.031 0.400 . 1 . . . . 28 CYS CB . 11020 1 277 . 1 1 28 28 CYS HB3 H 1 2.787 0.020 . 2 . . . . 28 CYS HB3 . 11020 1 278 . 1 1 28 28 CYS HB2 H 1 3.049 0.020 . 2 . . . . 28 CYS HB2 . 11020 1 279 . 1 1 29 29 ALA N N 15 121.906 0.400 . 1 . . . . 29 ALA N . 11020 1 280 . 1 1 29 29 ALA H H 1 6.922 0.020 . 1 . . . . 29 ALA H . 11020 1 281 . 1 1 29 29 ALA CA C 13 49.077 0.400 . 1 . . . . 29 ALA CA . 11020 1 282 . 1 1 29 29 ALA HA H 1 4.201 0.020 . 1 . . . . 29 ALA HA . 11020 1 283 . 1 1 29 29 ALA HB1 H 1 1.256 0.020 . 1 . . . . 29 ALA HB . 11020 1 284 . 1 1 29 29 ALA HB2 H 1 1.256 0.020 . 1 . . . . 29 ALA HB . 11020 1 285 . 1 1 29 29 ALA HB3 H 1 1.256 0.020 . 1 . . . . 29 ALA HB . 11020 1 286 . 1 1 29 29 ALA CB C 13 18.446 0.400 . 1 . . . . 29 ALA CB . 11020 1 287 . 1 1 30 30 CYS N N 15 115.301 0.400 . 1 . . . . 30 CYSS N . 11020 1 288 . 1 1 30 30 CYS H H 1 9.093 0.020 . 1 . . . . 30 CYSS H . 11020 1 289 . 1 1 30 30 CYS CA C 13 55.807 0.400 . 1 . . . . 30 CYSS CA . 11020 1 290 . 1 1 30 30 CYS HA H 1 4.348 0.020 . 1 . . . . 30 CYSS HA . 11020 1 291 . 1 1 30 30 CYS CB C 13 40.808 0.400 . 1 . . . . 30 CYSS CB . 11020 1 292 . 1 1 30 30 CYS HB2 H 1 3.815 0.020 . 2 . . . . 30 CYSS HB2 . 11020 1 293 . 1 1 30 30 CYS HB3 H 1 3.205 0.020 . 2 . . . . 30 CYSS HB3 . 11020 1 294 . 1 1 31 31 PRO CD C 13 47.914 0.400 . 1 . . . . 31 PRO CD . 11020 1 295 . 1 1 31 31 PRO CA C 13 62.393 0.400 . 1 . . . . 31 PRO CA . 11020 1 296 . 1 1 31 31 PRO HA H 1 4.167 0.020 . 1 . . . . 31 PRO HA . 11020 1 297 . 1 1 31 31 PRO CB C 13 28.605 0.400 . 1 . . . . 31 PRO CB . 11020 1 298 . 1 1 31 31 PRO HB3 H 1 1.841 0.020 . 2 . . . . 31 PRO HB3 . 11020 1 299 . 1 1 31 31 PRO CG C 13 25.094 0.400 . 1 . . . . 31 PRO CG . 11020 1 300 . 1 1 31 31 PRO HG3 H 1 2.096 0.020 . 2 . . . . 31 PRO HG3 . 11020 1 301 . 1 1 31 31 PRO HD3 H 1 3.566 0.020 . 2 . . . . 31 PRO HD3 . 11020 1 302 . 1 1 31 31 PRO HB2 H 1 2.151 0.020 . 2 . . . . 31 PRO HB2 . 11020 1 303 . 1 1 31 31 PRO HD2 H 1 3.764 0.020 . 2 . . . . 31 PRO HD2 . 11020 1 304 . 1 1 31 31 PRO HG2 H 1 2.058 0.020 . 2 . . . . 31 PRO HG2 . 11020 1 305 . 1 1 32 32 GLU N N 15 118.588 0.400 . 1 . . . . 32 GLU N . 11020 1 306 . 1 1 32 32 GLU H H 1 8.122 0.020 . 1 . . . . 32 GLU H . 11020 1 307 . 1 1 32 32 GLU CA C 13 57.682 0.400 . 1 . . . . 32 GLU CA . 11020 1 308 . 1 1 32 32 GLU HA H 1 4.059 0.020 . 1 . . . . 32 GLU HA . 11020 1 309 . 1 1 32 32 GLU CB C 13 25.960 0.400 . 1 . . . . 32 GLU CB . 11020 1 310 . 1 1 32 32 GLU HB3 H 1 2.080 0.020 . 2 . . . . 32 GLU HB3 . 11020 1 311 . 1 1 32 32 GLU CG C 13 33.995 0.400 . 1 . . . . 32 GLU CG . 11020 1 312 . 1 1 32 32 GLU HG3 H 1 2.318 0.020 . 2 . . . . 32 GLU HG3 . 11020 1 313 . 1 1 32 32 GLU HB2 H 1 2.080 0.020 . 2 . . . . 32 GLU HB2 . 11020 1 314 . 1 1 32 32 GLU HG2 H 1 2.255 0.020 . 2 . . . . 32 GLU HG2 . 11020 1 315 . 1 1 33 33 THR N N 15 112.543 0.400 . 1 . . . . 33 THR N . 11020 1 316 . 1 1 33 33 THR H H 1 8.539 0.020 . 1 . . . . 33 THR H . 11020 1 317 . 1 1 33 33 THR CA C 13 61.854 0.400 . 1 . . . . 33 THR CA . 11020 1 318 . 1 1 33 33 THR HA H 1 3.994 0.020 . 1 . . . . 33 THR HA . 11020 1 319 . 1 1 33 33 THR CB C 13 64.102 0.400 . 1 . . . . 33 THR CB . 11020 1 320 . 1 1 33 33 THR HB H 1 4.206 0.020 . 1 . . . . 33 THR HB . 11020 1 321 . 1 1 33 33 THR HG21 H 1 1.197 0.020 . 1 . . . . 33 THR HG2 . 11020 1 322 . 1 1 33 33 THR HG22 H 1 1.197 0.020 . 1 . . . . 33 THR HG2 . 11020 1 323 . 1 1 33 33 THR HG23 H 1 1.197 0.020 . 1 . . . . 33 THR HG2 . 11020 1 324 . 1 1 33 33 THR CG2 C 13 19.636 0.400 . 1 . . . . 33 THR CG2 . 11020 1 325 . 1 1 34 34 LYS N N 15 126.910 0.400 . 1 . . . . 34 LYS N . 11020 1 326 . 1 1 34 34 LYS H H 1 8.026 0.020 . 1 . . . . 34 LYS H . 11020 1 327 . 1 1 34 34 LYS CA C 13 57.712 0.400 . 1 . . . . 34 LYS CA . 11020 1 328 . 1 1 34 34 LYS HA H 1 2.804 0.020 . 1 . . . . 34 LYS HA . 11020 1 329 . 1 1 34 34 LYS CB C 13 30.241 0.400 . 1 . . . . 34 LYS CB . 11020 1 330 . 1 1 34 34 LYS HB3 H 1 1.645 0.020 . 2 . . . . 34 LYS HB3 . 11020 1 331 . 1 1 34 34 LYS CG C 13 22.080 0.400 . 1 . . . . 34 LYS CG . 11020 1 332 . 1 1 34 34 LYS HG3 H 1 1.179 0.020 . 2 . . . . 34 LYS HG3 . 11020 1 333 . 1 1 34 34 LYS CD C 13 26.342 0.400 . 1 . . . . 34 LYS CD . 11020 1 334 . 1 1 34 34 LYS HD3 H 1 1.551 0.020 . 2 . . . . 34 LYS HD3 . 11020 1 335 . 1 1 34 34 LYS CE C 13 39.550 0.400 . 1 . . . . 34 LYS CE . 11020 1 336 . 1 1 34 34 LYS HE3 H 1 2.881 0.020 . 2 . . . . 34 LYS HE3 . 11020 1 337 . 1 1 34 34 LYS HB2 H 1 1.603 0.020 . 2 . . . . 34 LYS HB2 . 11020 1 338 . 1 1 34 34 LYS HD2 H 1 1.450 0.020 . 2 . . . . 34 LYS HD2 . 11020 1 339 . 1 1 34 34 LYS HE2 H 1 2.798 0.020 . 2 . . . . 34 LYS HE2 . 11020 1 340 . 1 1 34 34 LYS HG2 H 1 0.719 0.020 . 2 . . . . 34 LYS HG2 . 11020 1 341 . 1 1 35 35 LYS N N 15 117.896 0.400 . 1 . . . . 35 LYS N . 11020 1 342 . 1 1 35 35 LYS H H 1 7.799 0.020 . 1 . . . . 35 LYS H . 11020 1 343 . 1 1 35 35 LYS CA C 13 56.578 0.400 . 1 . . . . 35 LYS CA . 11020 1 344 . 1 1 35 35 LYS HA H 1 3.911 0.020 . 1 . . . . 35 LYS HA . 11020 1 345 . 1 1 35 35 LYS CB C 13 29.617 0.400 . 1 . . . . 35 LYS CB . 11020 1 346 . 1 1 35 35 LYS HB3 H 1 1.841 0.020 . 2 . . . . 35 LYS HB3 . 11020 1 347 . 1 1 35 35 LYS CG C 13 21.126 0.400 . 1 . . . . 35 LYS CG . 11020 1 348 . 1 1 35 35 LYS HG3 H 1 1.483 0.020 . 2 . . . . 35 LYS HG3 . 11020 1 349 . 1 1 35 35 LYS CD C 13 26.582 0.400 . 1 . . . . 35 LYS CD . 11020 1 350 . 1 1 35 35 LYS HD3 H 1 1.617 0.020 . 2 . . . . 35 LYS HD3 . 11020 1 351 . 1 1 35 35 LYS CE C 13 39.300 0.400 . 1 . . . . 35 LYS CE . 11020 1 352 . 1 1 35 35 LYS HE3 H 1 2.858 0.020 . 2 . . . . 35 LYS HE3 . 11020 1 353 . 1 1 35 35 LYS HB2 H 1 1.781 0.020 . 2 . . . . 35 LYS HB2 . 11020 1 354 . 1 1 35 35 LYS HD2 H 1 1.617 0.020 . 2 . . . . 35 LYS HD2 . 11020 1 355 . 1 1 35 35 LYS HE2 H 1 2.858 0.020 . 2 . . . . 35 LYS HE2 . 11020 1 356 . 1 1 35 35 LYS HG2 H 1 1.342 0.020 . 2 . . . . 35 LYS HG2 . 11020 1 357 . 1 1 36 36 ALA N N 15 119.983 0.400 . 1 . . . . 36 ALA N . 11020 1 358 . 1 1 36 36 ALA H H 1 7.460 0.020 . 1 . . . . 36 ALA H . 11020 1 359 . 1 1 36 36 ALA CA C 13 51.993 0.400 . 1 . . . . 36 ALA CA . 11020 1 360 . 1 1 36 36 ALA HA H 1 4.059 0.020 . 1 . . . . 36 ALA HA . 11020 1 361 . 1 1 36 36 ALA HB1 H 1 1.399 0.020 . 1 . . . . 36 ALA HB . 11020 1 362 . 1 1 36 36 ALA HB2 H 1 1.399 0.020 . 1 . . . . 36 ALA HB . 11020 1 363 . 1 1 36 36 ALA HB3 H 1 1.399 0.020 . 1 . . . . 36 ALA HB . 11020 1 364 . 1 1 36 36 ALA CB C 13 15.211 0.400 . 1 . . . . 36 ALA CB . 11020 1 365 . 1 1 37 37 ARG N N 15 118.554 0.400 . 1 . . . . 37 ARG N . 11020 1 366 . 1 1 37 37 ARG H H 1 7.877 0.020 . 1 . . . . 37 ARG H . 11020 1 367 . 1 1 37 37 ARG CA C 13 56.862 0.400 . 1 . . . . 37 ARG CA . 11020 1 368 . 1 1 37 37 ARG HA H 1 3.641 0.020 . 1 . . . . 37 ARG HA . 11020 1 369 . 1 1 37 37 ARG CB C 13 27.189 0.400 . 1 . . . . 37 ARG CB . 11020 1 370 . 1 1 37 37 ARG HB3 H 1 1.628 0.020 . 2 . . . . 37 ARG HB3 . 11020 1 371 . 1 1 37 37 ARG CG C 13 22.604 0.400 . 1 . . . . 37 ARG CG . 11020 1 372 . 1 1 37 37 ARG HG3 H 1 1.474 0.020 . 2 . . . . 37 ARG HG3 . 11020 1 373 . 1 1 37 37 ARG CD C 13 41.000 0.400 . 1 . . . . 37 ARG CD . 11020 1 374 . 1 1 37 37 ARG HD3 H 1 3.294 0.020 . 2 . . . . 37 ARG HD3 . 11020 1 375 . 1 1 37 37 ARG HE H 1 6.166 0.020 . 1 . . . . 37 ARG HE . 11020 1 376 . 1 1 37 37 ARG HB2 H 1 1.968 0.020 . 2 . . . . 37 ARG HB2 . 11020 1 377 . 1 1 37 37 ARG HD2 H 1 2.733 0.020 . 2 . . . . 37 ARG HD2 . 11020 1 378 . 1 1 37 37 ARG HG2 H 1 1.241 0.020 . 2 . . . . 37 ARG HG2 . 11020 1 379 . 1 1 38 38 ASP N N 15 120.063 0.400 . 1 . . . . 38 ASP N . 11020 1 380 . 1 1 38 38 ASP H H 1 8.767 0.020 . 1 . . . . 38 ASP H . 11020 1 381 . 1 1 38 38 ASP CA C 13 54.876 0.400 . 1 . . . . 38 ASP CA . 11020 1 382 . 1 1 38 38 ASP HA H 1 4.172 0.020 . 1 . . . . 38 ASP HA . 11020 1 383 . 1 1 38 38 ASP CB C 13 36.306 0.400 . 1 . . . . 38 ASP CB . 11020 1 384 . 1 1 38 38 ASP HB3 H 1 2.527 0.020 . 2 . . . . 38 ASP HB3 . 11020 1 385 . 1 1 38 38 ASP HB2 H 1 2.527 0.020 . 2 . . . . 38 ASP HB2 . 11020 1 386 . 1 1 39 39 ALA N N 15 120.695 0.400 . 1 . . . . 39 ALA N . 11020 1 387 . 1 1 39 39 ALA H H 1 8.007 0.020 . 1 . . . . 39 ALA H . 11020 1 388 . 1 1 39 39 ALA CA C 13 52.030 0.400 . 1 . . . . 39 ALA CA . 11020 1 389 . 1 1 39 39 ALA HA H 1 4.051 0.020 . 1 . . . . 39 ALA HA . 11020 1 390 . 1 1 39 39 ALA HB1 H 1 1.370 0.020 . 1 . . . . 39 ALA HB . 11020 1 391 . 1 1 39 39 ALA HB2 H 1 1.370 0.020 . 1 . . . . 39 ALA HB . 11020 1 392 . 1 1 39 39 ALA HB3 H 1 1.370 0.020 . 1 . . . . 39 ALA HB . 11020 1 393 . 1 1 39 39 ALA CB C 13 15.709 0.400 . 1 . . . . 39 ALA CB . 11020 1 394 . 1 1 40 40 CYS N N 15 117.241 0.400 . 1 . . . . 40 CYSS N . 11020 1 395 . 1 1 40 40 CYS H H 1 7.363 0.020 . 1 . . . . 40 CYSS H . 11020 1 396 . 1 1 40 40 CYS CA C 13 57.992 0.400 . 1 . . . . 40 CYSS CA . 11020 1 397 . 1 1 40 40 CYS HA H 1 4.200 0.020 . 1 . . . . 40 CYSS HA . 11020 1 398 . 1 1 40 40 CYS CB C 13 36.625 0.400 . 1 . . . . 40 CYSS CB . 11020 1 399 . 1 1 40 40 CYS HB2 H 1 3.339 0.020 . 2 . . . . 40 CYSS HB2 . 11020 1 400 . 1 1 40 40 CYS HB3 H 1 2.884 0.020 . 2 . . . . 40 CYSS HB3 . 11020 1 401 . 1 1 41 41 ILE N N 15 121.574 0.400 . 1 . . . . 41 ILE N . 11020 1 402 . 1 1 41 41 ILE H H 1 8.356 0.020 . 1 . . . . 41 ILE H . 11020 1 403 . 1 1 41 41 ILE CA C 13 63.716 0.400 . 1 . . . . 41 ILE CA . 11020 1 404 . 1 1 41 41 ILE HA H 1 3.070 0.020 . 1 . . . . 41 ILE HA . 11020 1 405 . 1 1 41 41 ILE CB C 13 35.382 0.400 . 1 . . . . 41 ILE CB . 11020 1 406 . 1 1 41 41 ILE HB H 1 1.802 0.020 . 1 . . . . 41 ILE HB . 11020 1 407 . 1 1 41 41 ILE HG21 H 1 0.826 0.020 . 1 . . . . 41 ILE HG2 . 11020 1 408 . 1 1 41 41 ILE HG22 H 1 0.826 0.020 . 1 . . . . 41 ILE HG2 . 11020 1 409 . 1 1 41 41 ILE HG23 H 1 0.826 0.020 . 1 . . . . 41 ILE HG2 . 11020 1 410 . 1 1 41 41 ILE CG2 C 13 14.410 0.400 . 1 . . . . 41 ILE CG2 . 11020 1 411 . 1 1 41 41 ILE CG1 C 13 27.752 0.400 . 1 . . . . 41 ILE CG1 . 11020 1 412 . 1 1 41 41 ILE HG13 H 1 1.908 0.020 . 2 . . . . 41 ILE HG13 . 11020 1 413 . 1 1 41 41 ILE HD11 H 1 0.782 0.020 . 1 . . . . 41 ILE HD1 . 11020 1 414 . 1 1 41 41 ILE HD12 H 1 0.782 0.020 . 1 . . . . 41 ILE HD1 . 11020 1 415 . 1 1 41 41 ILE HD13 H 1 0.782 0.020 . 1 . . . . 41 ILE HD1 . 11020 1 416 . 1 1 41 41 ILE CD1 C 13 11.410 0.400 . 1 . . . . 41 ILE CD1 . 11020 1 417 . 1 1 41 41 ILE HG12 H 1 0.548 0.020 . 2 . . . . 41 ILE HG12 . 11020 1 418 . 1 1 42 42 ILE N N 15 118.804 0.400 . 1 . . . . 42 ILE N . 11020 1 419 . 1 1 42 42 ILE H H 1 7.827 0.020 . 1 . . . . 42 ILE H . 11020 1 420 . 1 1 42 42 ILE CA C 13 61.312 0.400 . 1 . . . . 42 ILE CA . 11020 1 421 . 1 1 42 42 ILE HA H 1 3.729 0.020 . 1 . . . . 42 ILE HA . 11020 1 422 . 1 1 42 42 ILE CB C 13 35.606 0.400 . 1 . . . . 42 ILE CB . 11020 1 423 . 1 1 42 42 ILE HB H 1 1.787 0.020 . 1 . . . . 42 ILE HB . 11020 1 424 . 1 1 42 42 ILE HG21 H 1 0.875 0.020 . 1 . . . . 42 ILE HG2 . 11020 1 425 . 1 1 42 42 ILE HG22 H 1 0.875 0.020 . 1 . . . . 42 ILE HG2 . 11020 1 426 . 1 1 42 42 ILE HG23 H 1 0.875 0.020 . 1 . . . . 42 ILE HG2 . 11020 1 427 . 1 1 42 42 ILE CG2 C 13 14.496 0.400 . 1 . . . . 42 ILE CG2 . 11020 1 428 . 1 1 42 42 ILE CG1 C 13 26.422 0.400 . 1 . . . . 42 ILE CG1 . 11020 1 429 . 1 1 42 42 ILE HG13 H 1 1.548 0.020 . 2 . . . . 42 ILE HG13 . 11020 1 430 . 1 1 42 42 ILE HD11 H 1 0.770 0.020 . 1 . . . . 42 ILE HD1 . 11020 1 431 . 1 1 42 42 ILE HD12 H 1 0.770 0.020 . 1 . . . . 42 ILE HD1 . 11020 1 432 . 1 1 42 42 ILE HD13 H 1 0.770 0.020 . 1 . . . . 42 ILE HD1 . 11020 1 433 . 1 1 42 42 ILE CD1 C 13 10.246 0.400 . 1 . . . . 42 ILE CD1 . 11020 1 434 . 1 1 42 42 ILE HG12 H 1 1.185 0.020 . 2 . . . . 42 ILE HG12 . 11020 1 435 . 1 1 43 43 GLU N N 15 118.221 0.400 . 1 . . . . 43 GLU N . 11020 1 436 . 1 1 43 43 GLU H H 1 7.567 0.020 . 1 . . . . 43 GLU H . 11020 1 437 . 1 1 43 43 GLU CA C 13 56.213 0.400 . 1 . . . . 43 GLU CA . 11020 1 438 . 1 1 43 43 GLU HA H 1 4.091 0.020 . 1 . . . . 43 GLU HA . 11020 1 439 . 1 1 43 43 GLU CB C 13 28.466 0.400 . 1 . . . . 43 GLU CB . 11020 1 440 . 1 1 43 43 GLU HB3 H 1 2.001 0.020 . 2 . . . . 43 GLU HB3 . 11020 1 441 . 1 1 43 43 GLU CG C 13 33.302 0.400 . 1 . . . . 43 GLU CG . 11020 1 442 . 1 1 43 43 GLU HG3 H 1 2.346 0.020 . 2 . . . . 43 GLU HG3 . 11020 1 443 . 1 1 43 43 GLU HB2 H 1 2.053 0.020 . 2 . . . . 43 GLU HB2 . 11020 1 444 . 1 1 43 43 GLU HG2 H 1 2.076 0.020 . 2 . . . . 43 GLU HG2 . 11020 1 445 . 1 1 44 44 LYS N N 15 114.391 0.400 . 1 . . . . 44 LYS N . 11020 1 446 . 1 1 44 44 LYS H H 1 8.860 0.020 . 1 . . . . 44 LYS H . 11020 1 447 . 1 1 44 44 LYS CA C 13 53.856 0.400 . 1 . . . . 44 LYS CA . 11020 1 448 . 1 1 44 44 LYS HA H 1 4.494 0.020 . 1 . . . . 44 LYS HA . 11020 1 449 . 1 1 44 44 LYS CB C 13 32.861 0.400 . 1 . . . . 44 LYS CB . 11020 1 450 . 1 1 44 44 LYS HB3 H 1 1.781 0.020 . 2 . . . . 44 LYS HB3 . 11020 1 451 . 1 1 44 44 LYS CG C 13 22.586 0.400 . 1 . . . . 44 LYS CG . 11020 1 452 . 1 1 44 44 LYS HG3 H 1 1.301 0.020 . 2 . . . . 44 LYS HG3 . 11020 1 453 . 1 1 44 44 LYS CD C 13 26.700 0.400 . 1 . . . . 44 LYS CD . 11020 1 454 . 1 1 44 44 LYS HD3 H 1 1.560 0.020 . 2 . . . . 44 LYS HD3 . 11020 1 455 . 1 1 44 44 LYS CE C 13 39.500 0.400 . 1 . . . . 44 LYS CE . 11020 1 456 . 1 1 44 44 LYS HE3 H 1 2.902 0.020 . 2 . . . . 44 LYS HE3 . 11020 1 457 . 1 1 44 44 LYS HB2 H 1 1.964 0.020 . 2 . . . . 44 LYS HB2 . 11020 1 458 . 1 1 44 44 LYS HD2 H 1 1.620 0.020 . 2 . . . . 44 LYS HD2 . 11020 1 459 . 1 1 44 44 LYS HE2 H 1 2.872 0.020 . 2 . . . . 44 LYS HE2 . 11020 1 460 . 1 1 44 44 LYS HG2 H 1 1.435 0.020 . 2 . . . . 44 LYS HG2 . 11020 1 461 . 1 1 45 45 GLY N N 15 108.576 0.400 . 1 . . . . 45 GLY N . 11020 1 462 . 1 1 45 45 GLY H H 1 7.723 0.020 . 1 . . . . 45 GLY H . 11020 1 463 . 1 1 45 45 GLY CA C 13 41.269 0.400 . 1 . . . . 45 GLY CA . 11020 1 464 . 1 1 45 45 GLY HA3 H 1 4.593 0.020 . 2 . . . . 45 GLY HA3 . 11020 1 465 . 1 1 45 45 GLY HA2 H 1 3.832 0.020 . 2 . . . . 45 GLY HA2 . 11020 1 466 . 1 1 46 46 GLU N N 15 120.459 0.400 . 1 . . . . 46 GLU N . 11020 1 467 . 1 1 46 46 GLU H H 1 8.919 0.020 . 1 . . . . 46 GLU H . 11020 1 468 . 1 1 46 46 GLU CA C 13 58.348 0.400 . 1 . . . . 46 GLU CA . 11020 1 469 . 1 1 46 46 GLU HA H 1 3.443 0.020 . 1 . . . . 46 GLU HA . 11020 1 470 . 1 1 46 46 GLU CB C 13 27.200 0.400 . 1 . . . . 46 GLU CB . 11020 1 471 . 1 1 46 46 GLU HB3 H 1 1.843 0.020 . 2 . . . . 46 GLU HB3 . 11020 1 472 . 1 1 46 46 GLU CG C 13 33.754 0.400 . 1 . . . . 46 GLU CG . 11020 1 473 . 1 1 46 46 GLU HG3 H 1 2.109 0.020 . 2 . . . . 46 GLU HG3 . 11020 1 474 . 1 1 46 46 GLU HB2 H 1 1.964 0.020 . 2 . . . . 46 GLU HB2 . 11020 1 475 . 1 1 46 46 GLU HG2 H 1 2.109 0.020 . 2 . . . . 46 GLU HG2 . 11020 1 476 . 1 1 47 47 GLU N N 15 118.571 0.400 . 1 . . . . 47 GLU N . 11020 1 477 . 1 1 47 47 GLU H H 1 9.580 0.020 . 1 . . . . 47 GLU H . 11020 1 478 . 1 1 47 47 GLU CA C 13 56.155 0.400 . 1 . . . . 47 GLU CA . 11020 1 479 . 1 1 47 47 GLU HA H 1 3.952 0.020 . 1 . . . . 47 GLU HA . 11020 1 480 . 1 1 47 47 GLU CB C 13 25.673 0.400 . 1 . . . . 47 GLU CB . 11020 1 481 . 1 1 47 47 GLU HB3 H 1 1.700 0.020 . 2 . . . . 47 GLU HB3 . 11020 1 482 . 1 1 47 47 GLU CG C 13 32.830 0.400 . 1 . . . . 47 GLU CG . 11020 1 483 . 1 1 47 47 GLU HG3 H 1 1.728 0.020 . 2 . . . . 47 GLU HG3 . 11020 1 484 . 1 1 47 47 GLU HB2 H 1 1.741 0.020 . 2 . . . . 47 GLU HB2 . 11020 1 485 . 1 1 47 47 GLU HG2 H 1 1.887 0.020 . 2 . . . . 47 GLU HG2 . 11020 1 486 . 1 1 48 48 HIS N N 15 117.460 0.400 . 1 . . . . 48 HIS N . 11020 1 487 . 1 1 48 48 HIS H H 1 7.494 0.020 . 1 . . . . 48 HIS H . 11020 1 488 . 1 1 48 48 HIS CA C 13 53.392 0.400 . 1 . . . . 48 HIS CA . 11020 1 489 . 1 1 48 48 HIS HA H 1 4.888 0.020 . 1 . . . . 48 HIS HA . 11020 1 490 . 1 1 48 48 HIS CB C 13 28.706 0.400 . 1 . . . . 48 HIS CB . 11020 1 491 . 1 1 48 48 HIS HB3 H 1 2.765 0.020 . 2 . . . . 48 HIS HB3 . 11020 1 492 . 1 1 48 48 HIS ND1 N 15 225.200 0.400 . 1 . . . . 48 HIS ND1 . 11020 1 493 . 1 1 48 48 HIS NE2 N 15 177.400 0.400 . 1 . . . . 48 HIS NE2 . 11020 1 494 . 1 1 48 48 HIS HD2 H 1 7.162 0.020 . 1 . . . . 48 HIS HD2 . 11020 1 495 . 1 1 48 48 HIS HE1 H 1 7.751 0.020 . 1 . . . . 48 HIS HE1 . 11020 1 496 . 1 1 48 48 HIS HB2 H 1 3.383 0.020 . 2 . . . . 48 HIS HB2 . 11020 1 497 . 1 1 49 49 CYS N N 15 116.001 0.400 . 1 . . . . 49 CYSS N . 11020 1 498 . 1 1 49 49 CYS H H 1 7.474 0.020 . 1 . . . . 49 CYSS H . 11020 1 499 . 1 1 49 49 CYS CA C 13 51.724 0.400 . 1 . . . . 49 CYSS CA . 11020 1 500 . 1 1 49 49 CYS HA H 1 5.110 0.020 . 1 . . . . 49 CYSS HA . 11020 1 501 . 1 1 49 49 CYS CB C 13 39.561 0.400 . 1 . . . . 49 CYSS CB . 11020 1 502 . 1 1 49 49 CYS HB2 H 1 3.232 0.020 . 2 . . . . 49 CYSS HB2 . 11020 1 503 . 1 1 49 49 CYS HB3 H 1 2.399 0.020 . 2 . . . . 49 CYSS HB3 . 11020 1 504 . 1 1 50 50 GLY N N 15 112.804 0.400 . 1 . . . . 50 GLY N . 11020 1 505 . 1 1 50 50 GLY H H 1 9.209 0.020 . 1 . . . . 50 GLY H . 11020 1 506 . 1 1 50 50 GLY CA C 13 45.605 0.400 . 1 . . . . 50 GLY CA . 11020 1 507 . 1 1 50 50 GLY HA3 H 1 3.722 0.020 . 2 . . . . 50 GLY HA3 . 11020 1 508 . 1 1 50 50 GLY HA2 H 1 4.093 0.020 . 2 . . . . 50 GLY HA2 . 11020 1 509 . 1 1 51 51 HIS CA C 13 56.377 0.400 . 1 . . . . 51 HIS CA . 11020 1 510 . 1 1 51 51 HIS HA H 1 4.457 0.020 . 1 . . . . 51 HIS HA . 11020 1 511 . 1 1 51 51 HIS CB C 13 26.209 0.400 . 1 . . . . 51 HIS CB . 11020 1 512 . 1 1 51 51 HIS HB3 H 1 3.086 0.020 . 2 . . . . 51 HIS HB3 . 11020 1 513 . 1 1 51 51 HIS ND1 N 15 239.600 0.400 . 1 . . . . 51 HIS ND1 . 11020 1 514 . 1 1 51 51 HIS NE2 N 15 171.500 0.400 . 1 . . . . 51 HIS NE2 . 11020 1 515 . 1 1 51 51 HIS HD2 H 1 6.968 0.020 . 1 . . . . 51 HIS HD2 . 11020 1 516 . 1 1 51 51 HIS HE1 H 1 7.884 0.020 . 1 . . . . 51 HIS HE1 . 11020 1 517 . 1 1 51 51 HIS HB2 H 1 3.086 0.020 . 2 . . . . 51 HIS HB2 . 11020 1 518 . 1 1 52 52 LEU N N 15 121.909 0.400 . 1 . . . . 52 LEU N . 11020 1 519 . 1 1 52 52 LEU H H 1 6.795 0.020 . 1 . . . . 52 LEU H . 11020 1 520 . 1 1 52 52 LEU CA C 13 53.815 0.400 . 1 . . . . 52 LEU CA . 11020 1 521 . 1 1 52 52 LEU HA H 1 4.153 0.020 . 1 . . . . 52 LEU HA . 11020 1 522 . 1 1 52 52 LEU CB C 13 39.121 0.400 . 1 . . . . 52 LEU CB . 11020 1 523 . 1 1 52 52 LEU HB3 H 1 1.318 0.020 . 2 . . . . 52 LEU HB3 . 11020 1 524 . 1 1 52 52 LEU CG C 13 29.322 0.400 . 1 . . . . 52 LEU CG . 11020 1 525 . 1 1 52 52 LEU HG H 1 0.817 0.020 . 1 . . . . 52 LEU HG . 11020 1 526 . 1 1 52 52 LEU HD11 H 1 0.701 0.020 . 2 . . . . 52 LEU HD1 . 11020 1 527 . 1 1 52 52 LEU HD12 H 1 0.701 0.020 . 2 . . . . 52 LEU HD1 . 11020 1 528 . 1 1 52 52 LEU HD13 H 1 0.701 0.020 . 2 . . . . 52 LEU HD1 . 11020 1 529 . 1 1 52 52 LEU HD21 H 1 0.761 0.020 . 2 . . . . 52 LEU HD2 . 11020 1 530 . 1 1 52 52 LEU HD22 H 1 0.761 0.020 . 2 . . . . 52 LEU HD2 . 11020 1 531 . 1 1 52 52 LEU HD23 H 1 0.761 0.020 . 2 . . . . 52 LEU HD2 . 11020 1 532 . 1 1 52 52 LEU CD1 C 13 19.864 0.400 . 1 . . . . 52 LEU CD1 . 11020 1 533 . 1 1 52 52 LEU CD2 C 13 23.507 0.400 . 1 . . . . 52 LEU CD2 . 11020 1 534 . 1 1 52 52 LEU HB2 H 1 1.578 0.020 . 2 . . . . 52 LEU HB2 . 11020 1 535 . 1 1 53 53 ILE N N 15 124.147 0.400 . 1 . . . . 53 ILE N . 11020 1 536 . 1 1 53 53 ILE H H 1 8.264 0.020 . 1 . . . . 53 ILE H . 11020 1 537 . 1 1 53 53 ILE CA C 13 63.407 0.400 . 1 . . . . 53 ILE CA . 11020 1 538 . 1 1 53 53 ILE HA H 1 3.434 0.020 . 1 . . . . 53 ILE HA . 11020 1 539 . 1 1 53 53 ILE CB C 13 36.056 0.400 . 1 . . . . 53 ILE CB . 11020 1 540 . 1 1 53 53 ILE HB H 1 1.992 0.020 . 1 . . . . 53 ILE HB . 11020 1 541 . 1 1 53 53 ILE HG21 H 1 0.960 0.020 . 1 . . . . 53 ILE HG2 . 11020 1 542 . 1 1 53 53 ILE HG22 H 1 0.960 0.020 . 1 . . . . 53 ILE HG2 . 11020 1 543 . 1 1 53 53 ILE HG23 H 1 0.960 0.020 . 1 . . . . 53 ILE HG2 . 11020 1 544 . 1 1 53 53 ILE CG2 C 13 14.009 0.400 . 1 . . . . 53 ILE CG2 . 11020 1 545 . 1 1 53 53 ILE CG1 C 13 27.112 0.400 . 1 . . . . 53 ILE CG1 . 11020 1 546 . 1 1 53 53 ILE HG13 H 1 1.607 0.020 . 2 . . . . 53 ILE HG13 . 11020 1 547 . 1 1 53 53 ILE HD11 H 1 0.804 0.020 . 1 . . . . 53 ILE HD1 . 11020 1 548 . 1 1 53 53 ILE HD12 H 1 0.804 0.020 . 1 . . . . 53 ILE HD1 . 11020 1 549 . 1 1 53 53 ILE HD13 H 1 0.804 0.020 . 1 . . . . 53 ILE HD1 . 11020 1 550 . 1 1 53 53 ILE CD1 C 13 11.338 0.400 . 1 . . . . 53 ILE CD1 . 11020 1 551 . 1 1 53 53 ILE HG12 H 1 0.914 0.020 . 2 . . . . 53 ILE HG12 . 11020 1 552 . 1 1 54 54 GLU N N 15 119.985 0.400 . 1 . . . . 54 GLU N . 11020 1 553 . 1 1 54 54 GLU H H 1 8.370 0.020 . 1 . . . . 54 GLU H . 11020 1 554 . 1 1 54 54 GLU CA C 13 56.261 0.400 . 1 . . . . 54 GLU CA . 11020 1 555 . 1 1 54 54 GLU HA H 1 4.065 0.020 . 1 . . . . 54 GLU HA . 11020 1 556 . 1 1 54 54 GLU CB C 13 26.016 0.400 . 1 . . . . 54 GLU CB . 11020 1 557 . 1 1 54 54 GLU HB3 H 1 2.022 0.020 . 2 . . . . 54 GLU HB3 . 11020 1 558 . 1 1 54 54 GLU CG C 13 32.800 0.400 . 1 . . . . 54 GLU CG . 11020 1 559 . 1 1 54 54 GLU HG3 H 1 2.254 0.020 . 2 . . . . 54 GLU HG3 . 11020 1 560 . 1 1 54 54 GLU HB2 H 1 2.044 0.020 . 2 . . . . 54 GLU HB2 . 11020 1 561 . 1 1 54 54 GLU HG2 H 1 2.375 0.020 . 2 . . . . 54 GLU HG2 . 11020 1 562 . 1 1 55 55 ALA N N 15 120.701 0.400 . 1 . . . . 55 ALA N . 11020 1 563 . 1 1 55 55 ALA H H 1 7.877 0.020 . 1 . . . . 55 ALA H . 11020 1 564 . 1 1 55 55 ALA CA C 13 57.004 0.400 . 1 . . . . 55 ALA CA . 11020 1 565 . 1 1 55 55 ALA HA H 1 4.144 0.020 . 1 . . . . 55 ALA HA . 11020 1 566 . 1 1 55 55 ALA HB1 H 1 1.465 0.020 . 1 . . . . 55 ALA HB . 11020 1 567 . 1 1 55 55 ALA HB2 H 1 1.465 0.020 . 1 . . . . 55 ALA HB . 11020 1 568 . 1 1 55 55 ALA HB3 H 1 1.465 0.020 . 1 . . . . 55 ALA HB . 11020 1 569 . 1 1 55 55 ALA CB C 13 15.107 0.400 . 1 . . . . 55 ALA CB . 11020 1 570 . 1 1 56 56 HIS N N 15 117.856 0.400 . 1 . . . . 56 HIS N . 11020 1 571 . 1 1 56 56 HIS H H 1 7.645 0.020 . 1 . . . . 56 HIS H . 11020 1 572 . 1 1 56 56 HIS CA C 13 57.054 0.400 . 1 . . . . 56 HIS CA . 11020 1 573 . 1 1 56 56 HIS HA H 1 4.521 0.020 . 1 . . . . 56 HIS HA . 11020 1 574 . 1 1 56 56 HIS CB C 13 28.731 0.400 . 1 . . . . 56 HIS CB . 11020 1 575 . 1 1 56 56 HIS HB3 H 1 2.692 0.020 . 2 . . . . 56 HIS HB3 . 11020 1 576 . 1 1 56 56 HIS ND1 N 15 223.100 0.400 . 1 . . . . 56 HIS ND1 . 11020 1 577 . 1 1 56 56 HIS NE2 N 15 163.200 0.400 . 1 . . . . 56 HIS NE2 . 11020 1 578 . 1 1 56 56 HIS HD2 H 1 6.888 0.020 . 1 . . . . 56 HIS HD2 . 11020 1 579 . 1 1 56 56 HIS HE1 H 1 7.699 0.020 . 1 . . . . 56 HIS HE1 . 11020 1 580 . 1 1 56 56 HIS HB2 H 1 3.158 0.020 . 2 . . . . 56 HIS HB2 . 11020 1 581 . 1 1 57 57 LYS N N 15 118.596 0.400 . 1 . . . . 57 LYS N . 11020 1 582 . 1 1 57 57 LYS H H 1 7.678 0.020 . 1 . . . . 57 LYS H . 11020 1 583 . 1 1 57 57 LYS CA C 13 58.004 0.400 . 1 . . . . 57 LYS CA . 11020 1 584 . 1 1 57 57 LYS HA H 1 3.576 0.020 . 1 . . . . 57 LYS HA . 11020 1 585 . 1 1 57 57 LYS CB C 13 29.485 0.400 . 1 . . . . 57 LYS CB . 11020 1 586 . 1 1 57 57 LYS HB3 H 1 1.745 0.020 . 2 . . . . 57 LYS HB3 . 11020 1 587 . 1 1 57 57 LYS CG C 13 23.117 0.400 . 1 . . . . 57 LYS CG . 11020 1 588 . 1 1 57 57 LYS HG3 H 1 1.655 0.020 . 2 . . . . 57 LYS HG3 . 11020 1 589 . 1 1 57 57 LYS CD C 13 27.200 0.400 . 1 . . . . 57 LYS CD . 11020 1 590 . 1 1 57 57 LYS HD3 H 1 1.610 0.020 . 2 . . . . 57 LYS HD3 . 11020 1 591 . 1 1 57 57 LYS CE C 13 39.361 0.400 . 1 . . . . 57 LYS CE . 11020 1 592 . 1 1 57 57 LYS HE3 H 1 2.740 0.020 . 2 . . . . 57 LYS HE3 . 11020 1 593 . 1 1 57 57 LYS HB2 H 1 1.946 0.020 . 2 . . . . 57 LYS HB2 . 11020 1 594 . 1 1 57 57 LYS HD2 H 1 1.610 0.020 . 2 . . . . 57 LYS HD2 . 11020 1 595 . 1 1 57 57 LYS HE2 H 1 2.851 0.020 . 2 . . . . 57 LYS HE2 . 11020 1 596 . 1 1 57 57 LYS HG2 H 1 1.221 0.020 . 2 . . . . 57 LYS HG2 . 11020 1 597 . 1 1 58 58 GLU N N 15 117.707 0.400 . 1 . . . . 58 GLU N . 11020 1 598 . 1 1 58 58 GLU H H 1 8.480 0.020 . 1 . . . . 58 GLU H . 11020 1 599 . 1 1 58 58 GLU CA C 13 56.184 0.400 . 1 . . . . 58 GLU CA . 11020 1 600 . 1 1 58 58 GLU HA H 1 3.990 0.020 . 1 . . . . 58 GLU HA . 11020 1 601 . 1 1 58 58 GLU CB C 13 26.222 0.400 . 1 . . . . 58 GLU CB . 11020 1 602 . 1 1 58 58 GLU HB3 H 1 1.984 0.020 . 2 . . . . 58 GLU HB3 . 11020 1 603 . 1 1 58 58 GLU CG C 13 33.407 0.400 . 1 . . . . 58 GLU CG . 11020 1 604 . 1 1 58 58 GLU HG3 H 1 2.290 0.020 . 2 . . . . 58 GLU HG3 . 11020 1 605 . 1 1 58 58 GLU HB2 H 1 2.033 0.020 . 2 . . . . 58 GLU HB2 . 11020 1 606 . 1 1 58 58 GLU HG2 H 1 2.260 0.020 . 2 . . . . 58 GLU HG2 . 11020 1 607 . 1 1 59 59 CYS N N 15 121.001 0.400 . 1 . . . . 59 CYSS N . 11020 1 608 . 1 1 59 59 CYS H H 1 7.641 0.020 . 1 . . . . 59 CYSS H . 11020 1 609 . 1 1 59 59 CYS CA C 13 57.622 0.400 . 1 . . . . 59 CYSS CA . 11020 1 610 . 1 1 59 59 CYS HA H 1 4.103 0.020 . 1 . . . . 59 CYSS HA . 11020 1 611 . 1 1 59 59 CYS CB C 13 39.054 0.400 . 1 . . . . 59 CYSS CB . 11020 1 612 . 1 1 59 59 CYS HB2 H 1 3.156 0.020 . 2 . . . . 59 CYSS HB2 . 11020 1 613 . 1 1 59 59 CYS HB3 H 1 3.361 0.020 . 2 . . . . 59 CYSS HB3 . 11020 1 614 . 1 1 60 60 MET N N 15 119.143 0.400 . 1 . . . . 60 MET N . 11020 1 615 . 1 1 60 60 MET H H 1 7.868 0.020 . 1 . . . . 60 MET H . 11020 1 616 . 1 1 60 60 MET CA C 13 54.100 0.400 . 1 . . . . 60 MET CA . 11020 1 617 . 1 1 60 60 MET HA H 1 4.174 0.020 . 1 . . . . 60 MET HA . 11020 1 618 . 1 1 60 60 MET CB C 13 28.500 0.400 . 1 . . . . 60 MET CB . 11020 1 619 . 1 1 60 60 MET HB3 H 1 1.752 0.020 . 2 . . . . 60 MET HB3 . 11020 1 620 . 1 1 60 60 MET CG C 13 33.632 0.400 . 1 . . . . 60 MET CG . 11020 1 621 . 1 1 60 60 MET HG3 H 1 2.196 0.020 . 2 . . . . 60 MET HG3 . 11020 1 622 . 1 1 60 60 MET HB2 H 1 2.020 0.020 . 2 . . . . 60 MET HB2 . 11020 1 623 . 1 1 60 60 MET HG2 H 1 2.196 0.020 . 2 . . . . 60 MET HG2 . 11020 1 624 . 1 1 61 61 ARG N N 15 121.608 0.400 . 1 . . . . 61 ARG N . 11020 1 625 . 1 1 61 61 ARG H H 1 8.739 0.020 . 1 . . . . 61 ARG H . 11020 1 626 . 1 1 61 61 ARG CA C 13 56.500 0.400 . 1 . . . . 61 ARG CA . 11020 1 627 . 1 1 61 61 ARG HA H 1 4.182 0.020 . 1 . . . . 61 ARG HA . 11020 1 628 . 1 1 61 61 ARG CB C 13 27.731 0.400 . 1 . . . . 61 ARG CB . 11020 1 629 . 1 1 61 61 ARG HB3 H 1 1.841 0.020 . 2 . . . . 61 ARG HB3 . 11020 1 630 . 1 1 61 61 ARG CG C 13 25.073 0.400 . 1 . . . . 61 ARG CG . 11020 1 631 . 1 1 61 61 ARG HG3 H 1 1.721 0.020 . 2 . . . . 61 ARG HG3 . 11020 1 632 . 1 1 61 61 ARG CD C 13 40.837 0.400 . 1 . . . . 61 ARG CD . 11020 1 633 . 1 1 61 61 ARG HD3 H 1 3.111 0.020 . 2 . . . . 61 ARG HD3 . 11020 1 634 . 1 1 61 61 ARG HB2 H 1 1.821 0.020 . 2 . . . . 61 ARG HB2 . 11020 1 635 . 1 1 61 61 ARG HD2 H 1 3.077 0.020 . 2 . . . . 61 ARG HD2 . 11020 1 636 . 1 1 61 61 ARG HG2 H 1 1.613 0.020 . 2 . . . . 61 ARG HG2 . 11020 1 637 . 1 1 62 62 ALA N N 15 122.665 0.400 . 1 . . . . 62 ALA N . 11020 1 638 . 1 1 62 62 ALA H H 1 7.878 0.020 . 1 . . . . 62 ALA H . 11020 1 639 . 1 1 62 62 ALA CA C 13 51.848 0.400 . 1 . . . . 62 ALA CA . 11020 1 640 . 1 1 62 62 ALA HA H 1 4.083 0.020 . 1 . . . . 62 ALA HA . 11020 1 641 . 1 1 62 62 ALA HB1 H 1 1.504 0.020 . 1 . . . . 62 ALA HB . 11020 1 642 . 1 1 62 62 ALA HB2 H 1 1.504 0.020 . 1 . . . . 62 ALA HB . 11020 1 643 . 1 1 62 62 ALA HB3 H 1 1.504 0.020 . 1 . . . . 62 ALA HB . 11020 1 644 . 1 1 62 62 ALA CB C 13 15.115 0.400 . 1 . . . . 62 ALA CB . 11020 1 645 . 1 1 63 63 LEU N N 15 116.282 0.400 . 1 . . . . 63 LEU N . 11020 1 646 . 1 1 63 63 LEU H H 1 7.173 0.020 . 1 . . . . 63 LEU H . 11020 1 647 . 1 1 63 63 LEU CA C 13 51.918 0.400 . 1 . . . . 63 LEU CA . 11020 1 648 . 1 1 63 63 LEU HA H 1 4.241 0.020 . 1 . . . . 63 LEU HA . 11020 1 649 . 1 1 63 63 LEU CB C 13 40.645 0.400 . 1 . . . . 63 LEU CB . 11020 1 650 . 1 1 63 63 LEU HB3 H 1 1.543 0.020 . 2 . . . . 63 LEU HB3 . 11020 1 651 . 1 1 63 63 LEU CG C 13 23.690 0.400 . 1 . . . . 63 LEU CG . 11020 1 652 . 1 1 63 63 LEU HG H 1 1.877 0.020 . 1 . . . . 63 LEU HG . 11020 1 653 . 1 1 63 63 LEU HD11 H 1 0.865 0.020 . 2 . . . . 63 LEU HD1 . 11020 1 654 . 1 1 63 63 LEU HD12 H 1 0.865 0.020 . 2 . . . . 63 LEU HD1 . 11020 1 655 . 1 1 63 63 LEU HD13 H 1 0.865 0.020 . 2 . . . . 63 LEU HD1 . 11020 1 656 . 1 1 63 63 LEU HD21 H 1 1.112 0.020 . 2 . . . . 63 LEU HD2 . 11020 1 657 . 1 1 63 63 LEU HD22 H 1 1.112 0.020 . 2 . . . . 63 LEU HD2 . 11020 1 658 . 1 1 63 63 LEU HD23 H 1 1.112 0.020 . 2 . . . . 63 LEU HD2 . 11020 1 659 . 1 1 63 63 LEU CD1 C 13 19.816 0.400 . 1 . . . . 63 LEU CD1 . 11020 1 660 . 1 1 63 63 LEU CD2 C 13 24.913 0.400 . 1 . . . . 63 LEU CD2 . 11020 1 661 . 1 1 63 63 LEU HB2 H 1 1.943 0.020 . 2 . . . . 63 LEU HB2 . 11020 1 662 . 1 1 64 64 GLY N N 15 105.006 0.400 . 1 . . . . 64 GLY N . 11020 1 663 . 1 1 64 64 GLY H H 1 7.727 0.020 . 1 . . . . 64 GLY H . 11020 1 664 . 1 1 64 64 GLY CA C 13 42.115 0.400 . 1 . . . . 64 GLY CA . 11020 1 665 . 1 1 64 64 GLY HA3 H 1 3.959 0.020 . 2 . . . . 64 GLY HA3 . 11020 1 666 . 1 1 64 64 GLY HA2 H 1 3.511 0.020 . 2 . . . . 64 GLY HA2 . 11020 1 667 . 1 1 65 65 PHE N N 15 119.407 0.400 . 1 . . . . 65 PHE N . 11020 1 668 . 1 1 65 65 PHE H H 1 7.752 0.020 . 1 . . . . 65 PHE H . 11020 1 669 . 1 1 65 65 PHE CA C 13 54.900 0.400 . 1 . . . . 65 PHE CA . 11020 1 670 . 1 1 65 65 PHE HA H 1 4.628 0.020 . 1 . . . . 65 PHE HA . 11020 1 671 . 1 1 65 65 PHE CB C 13 36.848 0.400 . 1 . . . . 65 PHE CB . 11020 1 672 . 1 1 65 65 PHE HB3 H 1 2.625 0.020 . 2 . . . . 65 PHE HB3 . 11020 1 673 . 1 1 65 65 PHE HD1 H 1 7.239 0.020 . 1 . . . . 65 PHE HD1 . 11020 1 674 . 1 1 65 65 PHE HE1 H 1 7.111 0.020 . 1 . . . . 65 PHE HE1 . 11020 1 675 . 1 1 65 65 PHE HZ H 1 7.052 0.020 . 1 . . . . 65 PHE HZ . 11020 1 676 . 1 1 65 65 PHE HE2 H 1 7.111 0.020 . 1 . . . . 65 PHE HE2 . 11020 1 677 . 1 1 65 65 PHE HD2 H 1 7.239 0.020 . 1 . . . . 65 PHE HD2 . 11020 1 678 . 1 1 65 65 PHE HB2 H 1 2.971 0.020 . 2 . . . . 65 PHE HB2 . 11020 1 679 . 1 1 66 66 LYS N N 15 123.705 0.400 . 1 . . . . 66 LYS N . 11020 1 680 . 1 1 66 66 LYS H H 1 8.505 0.020 . 1 . . . . 66 LYS H . 11020 1 681 . 1 1 66 66 LYS CA C 13 53.209 0.400 . 1 . . . . 66 LYS CA . 11020 1 682 . 1 1 66 66 LYS HA H 1 4.231 0.020 . 1 . . . . 66 LYS HA . 11020 1 683 . 1 1 66 66 LYS CB C 13 29.630 0.400 . 1 . . . . 66 LYS CB . 11020 1 684 . 1 1 66 66 LYS HB3 H 1 1.660 0.020 . 2 . . . . 66 LYS HB3 . 11020 1 685 . 1 1 66 66 LYS CG C 13 21.998 0.400 . 1 . . . . 66 LYS CG . 11020 1 686 . 1 1 66 66 LYS HG3 H 1 1.328 0.020 . 2 . . . . 66 LYS HG3 . 11020 1 687 . 1 1 66 66 LYS CD C 13 26.243 0.400 . 1 . . . . 66 LYS CD . 11020 1 688 . 1 1 66 66 LYS HD3 H 1 1.604 0.020 . 2 . . . . 66 LYS HD3 . 11020 1 689 . 1 1 66 66 LYS CE C 13 39.466 0.400 . 1 . . . . 66 LYS CE . 11020 1 690 . 1 1 66 66 LYS HE3 H 1 2.915 0.020 . 2 . . . . 66 LYS HE3 . 11020 1 691 . 1 1 66 66 LYS HB2 H 1 1.736 0.020 . 2 . . . . 66 LYS HB2 . 11020 1 692 . 1 1 66 66 LYS HD2 H 1 1.604 0.020 . 2 . . . . 66 LYS HD2 . 11020 1 693 . 1 1 66 66 LYS HE2 H 1 2.915 0.020 . 2 . . . . 66 LYS HE2 . 11020 1 694 . 1 1 66 66 LYS HG2 H 1 1.328 0.020 . 2 . . . . 66 LYS HG2 . 11020 1 695 . 1 1 67 67 ILE N N 15 127.471 0.400 . 1 . . . . 67 ILE N . 11020 1 696 . 1 1 67 67 ILE H H 1 7.540 0.020 . 1 . . . . 67 ILE H . 11020 1 697 . 1 1 67 67 ILE CA C 13 59.138 0.400 . 1 . . . . 67 ILE CA . 11020 1 698 . 1 1 67 67 ILE HA H 1 4.129 0.020 . 1 . . . . 67 ILE HA . 11020 1 699 . 1 1 67 67 ILE CB C 13 37.430 0.400 . 1 . . . . 67 ILE CB . 11020 1 700 . 1 1 67 67 ILE HB H 1 1.789 0.020 . 1 . . . . 67 ILE HB . 11020 1 701 . 1 1 67 67 ILE HG21 H 1 0.741 0.020 . 1 . . . . 67 ILE HG2 . 11020 1 702 . 1 1 67 67 ILE HG22 H 1 0.741 0.020 . 1 . . . . 67 ILE HG2 . 11020 1 703 . 1 1 67 67 ILE HG23 H 1 0.741 0.020 . 1 . . . . 67 ILE HG2 . 11020 1 704 . 1 1 67 67 ILE CG2 C 13 15.358 0.400 . 1 . . . . 67 ILE CG2 . 11020 1 705 . 1 1 67 67 ILE CG1 C 13 24.796 0.400 . 1 . . . . 67 ILE CG1 . 11020 1 706 . 1 1 67 67 ILE HG13 H 1 1.339 0.020 . 2 . . . . 67 ILE HG13 . 11020 1 707 . 1 1 67 67 ILE HD11 H 1 0.791 0.020 . 1 . . . . 67 ILE HD1 . 11020 1 708 . 1 1 67 67 ILE HD12 H 1 0.791 0.020 . 1 . . . . 67 ILE HD1 . 11020 1 709 . 1 1 67 67 ILE HD13 H 1 0.791 0.020 . 1 . . . . 67 ILE HD1 . 11020 1 710 . 1 1 67 67 ILE CD1 C 13 11.900 0.400 . 1 . . . . 67 ILE CD1 . 11020 1 711 . 1 1 67 67 ILE HG12 H 1 1.072 0.020 . 2 . . . . 67 ILE HG12 . 11020 1 stop_ save_