################################### # 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 11019 _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 0.4 _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 9 '2D 1H-1H NOESY' 1 $sample_1 isotropic 11019 1 10 '3D 1H-15N NOESY' 2 $sample_2 isotropic 11019 1 11 '3D 1H-13C NOESY' 3 $sample_3 isotropic 11019 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 6 $CARA . . 11019 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 4 4 THR N N 15 117.292 0.4 . 1 . . . . 4 THR N . 11019 1 2 . 1 1 4 4 THR H H 1 8.028 0.02 . 1 . . . . 4 THR H . 11019 1 3 . 1 1 4 4 THR CA C 13 58.817 0.4 . 1 . . . . 4 THR CA . 11019 1 4 . 1 1 4 4 THR HA H 1 4.131 0.02 . 1 . . . . 4 THR HA . 11019 1 5 . 1 1 4 4 THR CB C 13 67.576 0.4 . 1 . . . . 4 THR CB . 11019 1 6 . 1 1 4 4 THR HB H 1 3.929 0.02 . 1 . . . . 4 THR HB . 11019 1 7 . 1 1 4 4 THR HG21 H 1 1.053 0.02 . 1 . . . . 4 THR HG2 . 11019 1 8 . 1 1 4 4 THR HG22 H 1 1.053 0.02 . 1 . . . . 4 THR HG2 . 11019 1 9 . 1 1 4 4 THR HG23 H 1 1.053 0.02 . 1 . . . . 4 THR HG2 . 11019 1 10 . 1 1 4 4 THR CG2 C 13 18.807 0.4 . 1 . . . . 4 THR CG2 . 11019 1 11 . 1 1 4 4 THR C C 13 170.874 0.4 . 1 . . . . 4 THR C . 11019 1 12 . 1 1 5 5 MET N N 15 124.349 0.4 . 1 . . . . 5 MET N . 11019 1 13 . 1 1 5 5 MET H H 1 8.233 0.02 . 1 . . . . 5 MET H . 11019 1 14 . 1 1 5 5 MET CA C 13 50.500 0.4 . 1 . . . . 5 MET CA . 11019 1 15 . 1 1 5 5 MET HA H 1 4.670 0.02 . 1 . . . . 5 MET HA . 11019 1 16 . 1 1 5 5 MET CB C 13 29.700 0.4 . 1 . . . . 5 MET CB . 11019 1 17 . 1 1 5 5 MET HB3 H 1 1.870 0.02 . 2 . . . . 5 MET HB3 . 11019 1 18 . 1 1 5 5 MET HG3 H 1 2.510 0.02 . 2 . . . . 5 MET HG3 . 11019 1 19 . 1 1 5 5 MET C C 13 171.256 0.4 . 1 . . . . 5 MET C . 11019 1 20 . 1 1 5 5 MET HB2 H 1 2.010 0.02 . 2 . . . . 5 MET HB2 . 11019 1 21 . 1 1 5 5 MET HG2 H 1 2.560 0.02 . 2 . . . . 5 MET HG2 . 11019 1 22 . 1 1 6 6 PRO CD C 13 47.744 0.4 . 1 . . . . 6 PRO CD . 11019 1 23 . 1 1 6 6 PRO CA C 13 60.478 0.4 . 1 . . . . 6 PRO CA . 11019 1 24 . 1 1 6 6 PRO HA H 1 4.284 0.02 . 1 . . . . 6 PRO HA . 11019 1 25 . 1 1 6 6 PRO CB C 13 29.215 0.4 . 1 . . . . 6 PRO CB . 11019 1 26 . 1 1 6 6 PRO HB3 H 1 2.200 0.02 . 2 . . . . 6 PRO HB3 . 11019 1 27 . 1 1 6 6 PRO CG C 13 24.502 0.4 . 1 . . . . 6 PRO CG . 11019 1 28 . 1 1 6 6 PRO HG3 H 1 1.965 0.02 . 2 . . . . 6 PRO HG3 . 11019 1 29 . 1 1 6 6 PRO HD3 H 1 3.668 0.02 . 2 . . . . 6 PRO HD3 . 11019 1 30 . 1 1 6 6 PRO C C 13 174.600 0.4 . 1 . . . . 6 PRO C . 11019 1 31 . 1 1 6 6 PRO HB2 H 1 1.836 0.02 . 2 . . . . 6 PRO HB2 . 11019 1 32 . 1 1 6 6 PRO HD2 H 1 3.668 0.02 . 2 . . . . 6 PRO HD2 . 11019 1 33 . 1 1 6 6 PRO HG2 H 1 1.965 0.02 . 2 . . . . 6 PRO HG2 . 11019 1 34 . 1 1 7 7 GLY N N 15 108.874 0.4 . 1 . . . . 7 GLY N . 11019 1 35 . 1 1 7 7 GLY H H 1 8.360 0.02 . 1 . . . . 7 GLY H . 11019 1 36 . 1 1 7 7 GLY CA C 13 42.385 0.4 . 1 . . . . 7 GLY CA . 11019 1 37 . 1 1 7 7 GLY HA3 H 1 3.801 0.02 . 2 . . . . 7 GLY HA3 . 11019 1 38 . 1 1 7 7 GLY C C 13 171.217 0.4 . 1 . . . . 7 GLY C . 11019 1 39 . 1 1 7 7 GLY HA2 H 1 3.801 0.02 . 2 . . . . 7 GLY HA2 . 11019 1 40 . 1 1 8 8 LEU N N 15 121.580 0.4 . 1 . . . . 8 LEU N . 11019 1 41 . 1 1 8 8 LEU H H 1 7.925 0.02 . 1 . . . . 8 LEU H . 11019 1 42 . 1 1 8 8 LEU CA C 13 52.441 0.4 . 1 . . . . 8 LEU CA . 11019 1 43 . 1 1 8 8 LEU HA H 1 4.177 0.02 . 1 . . . . 8 LEU HA . 11019 1 44 . 1 1 8 8 LEU CB C 13 39.504 0.4 . 1 . . . . 8 LEU CB . 11019 1 45 . 1 1 8 8 LEU HB3 H 1 1.388 0.02 . 2 . . . . 8 LEU HB3 . 11019 1 46 . 1 1 8 8 LEU CG C 13 24.101 0.4 . 1 . . . . 8 LEU CG . 11019 1 47 . 1 1 8 8 LEU HG H 1 1.519 0.02 . 1 . . . . 8 LEU HG . 11019 1 48 . 1 1 8 8 LEU HD11 H 1 0.835 0.02 . 2 . . . . 8 LEU HD1 . 11019 1 49 . 1 1 8 8 LEU HD12 H 1 0.835 0.02 . 2 . . . . 8 LEU HD1 . 11019 1 50 . 1 1 8 8 LEU HD13 H 1 0.835 0.02 . 2 . . . . 8 LEU HD1 . 11019 1 51 . 1 1 8 8 LEU HD21 H 1 0.783 0.02 . 2 . . . . 8 LEU HD2 . 11019 1 52 . 1 1 8 8 LEU HD22 H 1 0.783 0.02 . 2 . . . . 8 LEU HD2 . 11019 1 53 . 1 1 8 8 LEU HD23 H 1 0.783 0.02 . 2 . . . . 8 LEU HD2 . 11019 1 54 . 1 1 8 8 LEU CD1 C 13 21.891 0.4 . 1 . . . . 8 LEU CD1 . 11019 1 55 . 1 1 8 8 LEU CD2 C 13 20.612 0.4 . 1 . . . . 8 LEU CD2 . 11019 1 56 . 1 1 8 8 LEU C C 13 174.635 0.4 . 1 . . . . 8 LEU C . 11019 1 57 . 1 1 8 8 LEU HB2 H 1 1.527 0.02 . 2 . . . . 8 LEU HB2 . 11019 1 58 . 1 1 9 9 VAL N N 15 120.750 0.4 . 1 . . . . 9 VAL N . 11019 1 59 . 1 1 9 9 VAL H H 1 8.047 0.02 . 1 . . . . 9 VAL H . 11019 1 60 . 1 1 9 9 VAL CA C 13 58.177 0.4 . 1 . . . . 9 VAL CA . 11019 1 61 . 1 1 9 9 VAL HA H 1 3.982 0.02 . 1 . . . . 9 VAL HA . 11019 1 62 . 1 1 9 9 VAL CB C 13 29.969 0.4 . 1 . . . . 9 VAL CB . 11019 1 63 . 1 1 9 9 VAL HB H 1 1.924 0.02 . 1 . . . . 9 VAL HB . 11019 1 64 . 1 1 9 9 VAL HG11 H 1 0.820 0.02 . 2 . . . . 9 VAL HG1 . 11019 1 65 . 1 1 9 9 VAL HG12 H 1 0.820 0.02 . 2 . . . . 9 VAL HG1 . 11019 1 66 . 1 1 9 9 VAL HG13 H 1 0.820 0.02 . 2 . . . . 9 VAL HG1 . 11019 1 67 . 1 1 9 9 VAL HG21 H 1 0.795 0.02 . 2 . . . . 9 VAL HG2 . 11019 1 68 . 1 1 9 9 VAL HG22 H 1 0.795 0.02 . 2 . . . . 9 VAL HG2 . 11019 1 69 . 1 1 9 9 VAL HG23 H 1 0.795 0.02 . 2 . . . . 9 VAL HG2 . 11019 1 70 . 1 1 9 9 VAL CG1 C 13 18.204 0.4 . 1 . . . . 9 VAL CG1 . 11019 1 71 . 1 1 9 9 VAL CG2 C 13 17.626 0.4 . 1 . . . . 9 VAL CG2 . 11019 1 72 . 1 1 9 9 VAL C C 13 173.021 0.4 . 1 . . . . 9 VAL C . 11019 1 73 . 1 1 10 10 ASP N N 15 124.197 0.4 . 1 . . . . 10 ASP N . 11019 1 74 . 1 1 10 10 ASP H H 1 8.292 0.02 . 1 . . . . 10 ASP H . 11019 1 75 . 1 1 10 10 ASP CA C 13 51.549 0.4 . 1 . . . . 10 ASP CA . 11019 1 76 . 1 1 10 10 ASP HA H 1 4.459 0.02 . 1 . . . . 10 ASP HA . 11019 1 77 . 1 1 10 10 ASP CB C 13 38.338 0.4 . 1 . . . . 10 ASP CB . 11019 1 78 . 1 1 10 10 ASP HB3 H 1 2.591 0.02 . 2 . . . . 10 ASP HB3 . 11019 1 79 . 1 1 10 10 ASP C C 13 173.282 0.4 . 1 . . . . 10 ASP C . 11019 1 80 . 1 1 10 10 ASP HB2 H 1 2.470 0.02 . 2 . . . . 10 ASP HB2 . 11019 1 81 . 1 1 11 11 SER N N 15 116.282 0.4 . 1 . . . . 11 SER N . 11019 1 82 . 1 1 11 11 SER H H 1 8.134 0.02 . 1 . . . . 11 SER H . 11019 1 83 . 1 1 11 11 SER CA C 13 55.478 0.4 . 1 . . . . 11 SER CA . 11019 1 84 . 1 1 11 11 SER HA H 1 4.298 0.02 . 1 . . . . 11 SER HA . 11019 1 85 . 1 1 11 11 SER CB C 13 60.924 0.4 . 1 . . . . 11 SER CB . 11019 1 86 . 1 1 11 11 SER HB3 H 1 3.733 0.02 . 2 . . . . 11 SER HB3 . 11019 1 87 . 1 1 11 11 SER C C 13 171.217 0.4 . 1 . . . . 11 SER C . 11019 1 88 . 1 1 11 11 SER HB2 H 1 3.733 0.02 . 2 . . . . 11 SER HB2 . 11019 1 89 . 1 1 12 12 ASN N N 15 121.361 0.4 . 1 . . . . 12 ASN N . 11019 1 90 . 1 1 12 12 ASN H H 1 8.272 0.02 . 1 . . . . 12 ASN H . 11019 1 91 . 1 1 12 12 ASN CA C 13 48.643 0.4 . 1 . . . . 12 ASN CA . 11019 1 92 . 1 1 12 12 ASN HA H 1 4.840 0.02 . 1 . . . . 12 ASN HA . 11019 1 93 . 1 1 12 12 ASN CB C 13 35.774 0.4 . 1 . . . . 12 ASN CB . 11019 1 94 . 1 1 12 12 ASN HB3 H 1 2.574 0.02 . 2 . . . . 12 ASN HB3 . 11019 1 95 . 1 1 12 12 ASN ND2 N 15 113.400 0.4 . 1 . . . . 12 ASN ND2 . 11019 1 96 . 1 1 12 12 ASN HD21 H 1 6.810 0.02 . 2 . . . . 12 ASN HD21 . 11019 1 97 . 1 1 12 12 ASN HD22 H 1 7.570 0.02 . 2 . . . . 12 ASN HD22 . 11019 1 98 . 1 1 12 12 ASN C C 13 170.035 0.4 . 1 . . . . 12 ASN C . 11019 1 99 . 1 1 12 12 ASN HB2 H 1 2.694 0.02 . 2 . . . . 12 ASN HB2 . 11019 1 100 . 1 1 13 13 PRO CD C 13 47.752 0.4 . 1 . . . . 13 PRO CD . 11019 1 101 . 1 1 13 13 PRO CA C 13 60.109 0.4 . 1 . . . . 13 PRO CA . 11019 1 102 . 1 1 13 13 PRO HA H 1 4.283 0.02 . 1 . . . . 13 PRO HA . 11019 1 103 . 1 1 13 13 PRO CB C 13 29.215 0.4 . 1 . . . . 13 PRO CB . 11019 1 104 . 1 1 13 13 PRO HB3 H 1 2.181 0.02 . 2 . . . . 13 PRO HB3 . 11019 1 105 . 1 1 13 13 PRO CG C 13 24.452 0.4 . 1 . . . . 13 PRO CG . 11019 1 106 . 1 1 13 13 PRO HG3 H 1 1.942 0.02 . 2 . . . . 13 PRO HG3 . 11019 1 107 . 1 1 13 13 PRO HD3 H 1 3.510 0.02 . 2 . . . . 13 PRO HD3 . 11019 1 108 . 1 1 13 13 PRO C C 13 173.500 0.4 . 1 . . . . 13 PRO C . 11019 1 109 . 1 1 13 13 PRO HB2 H 1 1.839 0.02 . 2 . . . . 13 PRO HB2 . 11019 1 110 . 1 1 13 13 PRO HD2 H 1 3.695 0.02 . 2 . . . . 13 PRO HD2 . 11019 1 111 . 1 1 13 13 PRO HG2 H 1 1.942 0.02 . 2 . . . . 13 PRO HG2 . 11019 1 112 . 1 1 14 14 ALA N N 15 125.727 0.4 . 1 . . . . 14 ALA N . 11019 1 113 . 1 1 14 14 ALA H H 1 8.264 0.02 . 1 . . . . 14 ALA H . 11019 1 114 . 1 1 14 14 ALA CA C 13 47.554 0.4 . 1 . . . . 14 ALA CA . 11019 1 115 . 1 1 14 14 ALA HA H 1 4.461 0.02 . 1 . . . . 14 ALA HA . 11019 1 116 . 1 1 14 14 ALA HB1 H 1 1.211 0.02 . 1 . . . . 14 ALA HB . 11019 1 117 . 1 1 14 14 ALA HB2 H 1 1.211 0.02 . 1 . . . . 14 ALA HB . 11019 1 118 . 1 1 14 14 ALA HB3 H 1 1.211 0.02 . 1 . . . . 14 ALA HB . 11019 1 119 . 1 1 14 14 ALA CB C 13 15.060 0.4 . 1 . . . . 14 ALA CB . 11019 1 120 . 1 1 14 14 ALA C C 13 172.207 0.4 . 1 . . . . 14 ALA C . 11019 1 121 . 1 1 15 15 PRO CD C 13 47.624 0.4 . 1 . . . . 15 PRO CD . 11019 1 122 . 1 1 15 15 PRO CA C 13 58.640 0.4 . 1 . . . . 15 PRO CA . 11019 1 123 . 1 1 15 15 PRO HA H 1 4.609 0.02 . 1 . . . . 15 PRO HA . 11019 1 124 . 1 1 15 15 PRO CB C 13 28.249 0.4 . 1 . . . . 15 PRO CB . 11019 1 125 . 1 1 15 15 PRO HB3 H 1 2.260 0.02 . 2 . . . . 15 PRO HB3 . 11019 1 126 . 1 1 15 15 PRO CG C 13 24.626 0.4 . 1 . . . . 15 PRO CG . 11019 1 127 . 1 1 15 15 PRO HG3 H 1 1.950 0.02 . 2 . . . . 15 PRO HG3 . 11019 1 128 . 1 1 15 15 PRO HD3 H 1 3.723 0.02 . 2 . . . . 15 PRO HD3 . 11019 1 129 . 1 1 15 15 PRO HB2 H 1 1.832 0.02 . 2 . . . . 15 PRO HB2 . 11019 1 130 . 1 1 15 15 PRO HD2 H 1 3.534 0.02 . 2 . . . . 15 PRO HD2 . 11019 1 131 . 1 1 15 15 PRO HG2 H 1 1.950 0.02 . 2 . . . . 15 PRO HG2 . 11019 1 132 . 1 1 16 16 PRO CD C 13 47.740 0.4 . 1 . . . . 16 PRO CD . 11019 1 133 . 1 1 16 16 PRO CA C 13 60.463 0.4 . 1 . . . . 16 PRO CA . 11019 1 134 . 1 1 16 16 PRO HA H 1 4.285 0.02 . 1 . . . . 16 PRO HA . 11019 1 135 . 1 1 16 16 PRO CB C 13 29.169 0.4 . 1 . . . . 16 PRO CB . 11019 1 136 . 1 1 16 16 PRO HB3 H 1 2.217 0.02 . 2 . . . . 16 PRO HB3 . 11019 1 137 . 1 1 16 16 PRO CG C 13 24.420 0.4 . 1 . . . . 16 PRO CG . 11019 1 138 . 1 1 16 16 PRO HG3 H 1 1.905 0.02 . 2 . . . . 16 PRO HG3 . 11019 1 139 . 1 1 16 16 PRO HD3 H 1 3.526 0.02 . 2 . . . . 16 PRO HD3 . 11019 1 140 . 1 1 16 16 PRO HB2 H 1 1.836 0.02 . 2 . . . . 16 PRO HB2 . 11019 1 141 . 1 1 16 16 PRO HD2 H 1 3.690 0.02 . 2 . . . . 16 PRO HD2 . 11019 1 142 . 1 1 16 16 PRO HG2 H 1 1.905 0.02 . 2 . . . . 16 PRO HG2 . 11019 1 143 . 1 1 17 17 GLU N N 15 120.490 0.4 . 1 . . . . 17 GLU N . 11019 1 144 . 1 1 17 17 GLU H H 1 8.544 0.02 . 1 . . . . 17 GLU H . 11019 1 145 . 1 1 17 17 GLU CA C 13 54.139 0.4 . 1 . . . . 17 GLU CA . 11019 1 146 . 1 1 17 17 GLU HA H 1 4.131 0.02 . 1 . . . . 17 GLU HA . 11019 1 147 . 1 1 17 17 GLU CB C 13 27.107 0.4 . 1 . . . . 17 GLU CB . 11019 1 148 . 1 1 17 17 GLU HB3 H 1 1.925 0.02 . 2 . . . . 17 GLU HB3 . 11019 1 149 . 1 1 17 17 GLU CG C 13 33.450 0.4 . 1 . . . . 17 GLU CG . 11019 1 150 . 1 1 17 17 GLU HG3 H 1 2.193 0.02 . 2 . . . . 17 GLU HG3 . 11019 1 151 . 1 1 17 17 GLU C C 13 173.973 0.4 . 1 . . . . 17 GLU C . 11019 1 152 . 1 1 17 17 GLU HB2 H 1 1.842 0.02 . 2 . . . . 17 GLU HB2 . 11019 1 153 . 1 1 17 17 GLU HG2 H 1 2.151 0.02 . 2 . . . . 17 GLU HG2 . 11019 1 154 . 1 1 18 18 SER N N 15 116.415 0.4 . 1 . . . . 18 SER N . 11019 1 155 . 1 1 18 18 SER H H 1 8.238 0.02 . 1 . . . . 18 SER H . 11019 1 156 . 1 1 18 18 SER CA C 13 55.493 0.4 . 1 . . . . 18 SER CA . 11019 1 157 . 1 1 18 18 SER HA H 1 4.294 0.02 . 1 . . . . 18 SER HA . 11019 1 158 . 1 1 18 18 SER CB C 13 60.955 0.4 . 1 . . . . 18 SER CB . 11019 1 159 . 1 1 18 18 SER HB3 H 1 3.796 0.02 . 2 . . . . 18 SER HB3 . 11019 1 160 . 1 1 18 18 SER C C 13 171.987 0.4 . 1 . . . . 18 SER C . 11019 1 161 . 1 1 18 18 SER HB2 H 1 3.720 0.02 . 2 . . . . 18 SER HB2 . 11019 1 162 . 1 1 19 19 GLN N N 15 122.129 0.4 . 1 . . . . 19 GLN N . 11019 1 163 . 1 1 19 19 GLN H H 1 8.257 0.02 . 1 . . . . 19 GLN H . 11019 1 164 . 1 1 19 19 GLN CA C 13 52.984 0.4 . 1 . . . . 19 GLN CA . 11019 1 165 . 1 1 19 19 GLN HA H 1 4.218 0.02 . 1 . . . . 19 GLN HA . 11019 1 166 . 1 1 19 19 GLN CB C 13 26.447 0.4 . 1 . . . . 19 GLN CB . 11019 1 167 . 1 1 19 19 GLN HB3 H 1 1.841 0.02 . 2 . . . . 19 GLN HB3 . 11019 1 168 . 1 1 19 19 GLN CG C 13 31.081 0.4 . 1 . . . . 19 GLN CG . 11019 1 169 . 1 1 19 19 GLN HG3 H 1 2.256 0.02 . 2 . . . . 19 GLN HG3 . 11019 1 170 . 1 1 19 19 GLN NE2 N 15 112.600 0.4 . 1 . . . . 19 GLN NE2 . 11019 1 171 . 1 1 19 19 GLN HE21 H 1 6.780 0.02 . 2 . . . . 19 GLN HE21 . 11019 1 172 . 1 1 19 19 GLN HE22 H 1 7.440 0.02 . 2 . . . . 19 GLN HE22 . 11019 1 173 . 1 1 19 19 GLN C C 13 173.175 0.4 . 1 . . . . 19 GLN C . 11019 1 174 . 1 1 19 19 GLN HB2 H 1 2.031 0.02 . 2 . . . . 19 GLN HB2 . 11019 1 175 . 1 1 19 19 GLN HG2 H 1 2.256 0.02 . 2 . . . . 19 GLN HG2 . 11019 1 176 . 1 1 20 20 GLU N N 15 121.680 0.4 . 1 . . . . 20 GLU N . 11019 1 177 . 1 1 20 20 GLU H H 1 8.253 0.02 . 1 . . . . 20 GLU H . 11019 1 178 . 1 1 20 20 GLU CA C 13 53.801 0.4 . 1 . . . . 20 GLU CA . 11019 1 179 . 1 1 20 20 GLU HA H 1 4.124 0.02 . 1 . . . . 20 GLU HA . 11019 1 180 . 1 1 20 20 GLU CB C 13 27.191 0.4 . 1 . . . . 20 GLU CB . 11019 1 181 . 1 1 20 20 GLU HB3 H 1 1.868 0.02 . 2 . . . . 20 GLU HB3 . 11019 1 182 . 1 1 20 20 GLU CG C 13 33.397 0.4 . 1 . . . . 20 GLU CG . 11019 1 183 . 1 1 20 20 GLU HG3 H 1 2.178 0.02 . 2 . . . . 20 GLU HG3 . 11019 1 184 . 1 1 20 20 GLU C C 13 173.540 0.4 . 1 . . . . 20 GLU C . 11019 1 185 . 1 1 20 20 GLU HB2 H 1 1.868 0.02 . 2 . . . . 20 GLU HB2 . 11019 1 186 . 1 1 20 20 GLU HG2 H 1 2.178 0.02 . 2 . . . . 20 GLU HG2 . 11019 1 187 . 1 1 21 21 LYS N N 15 122.767 0.4 . 1 . . . . 21 LYS N . 11019 1 188 . 1 1 21 21 LYS H H 1 8.260 0.02 . 1 . . . . 21 LYS H . 11019 1 189 . 1 1 21 21 LYS CA C 13 53.277 0.4 . 1 . . . . 21 LYS CA . 11019 1 190 . 1 1 21 21 LYS HA H 1 4.180 0.02 . 1 . . . . 21 LYS HA . 11019 1 191 . 1 1 21 21 LYS CB C 13 29.599 0.4 . 1 . . . . 21 LYS CB . 11019 1 192 . 1 1 21 21 LYS HB3 H 1 1.724 0.02 . 2 . . . . 21 LYS HB3 . 11019 1 193 . 1 1 21 21 LYS CG C 13 21.902 0.4 . 1 . . . . 21 LYS CG . 11019 1 194 . 1 1 21 21 LYS HG3 H 1 1.605 0.02 . 2 . . . . 21 LYS HG3 . 11019 1 195 . 1 1 21 21 LYS C C 13 173.483 0.4 . 1 . . . . 21 LYS C . 11019 1 196 . 1 1 21 21 LYS HB2 H 1 1.724 0.02 . 2 . . . . 21 LYS HB2 . 11019 1 197 . 1 1 21 21 LYS HG2 H 1 1.605 0.02 . 2 . . . . 21 LYS HG2 . 11019 1 198 . 1 1 22 22 LYS N N 15 123.811 0.4 . 1 . . . . 22 LYS N . 11019 1 199 . 1 1 22 22 LYS H H 1 8.220 0.02 . 1 . . . . 22 LYS H . 11019 1 200 . 1 1 22 22 LYS CA C 13 51.146 0.4 . 1 . . . . 22 LYS CA . 11019 1 201 . 1 1 22 22 LYS HA H 1 4.550 0.02 . 1 . . . . 22 LYS HA . 11019 1 202 . 1 1 22 22 LYS CB C 13 29.500 0.4 . 1 . . . . 22 LYS CB . 11019 1 203 . 1 1 22 22 LYS HB3 H 1 1.650 0.02 . 2 . . . . 22 LYS HB3 . 11019 1 204 . 1 1 22 22 LYS CG C 13 21.600 0.4 . 1 . . . . 22 LYS CG . 11019 1 205 . 1 1 22 22 LYS HG3 H 1 1.380 0.02 . 2 . . . . 22 LYS HG3 . 11019 1 206 . 1 1 22 22 LYS CD C 13 26.200 0.4 . 1 . . . . 22 LYS CD . 11019 1 207 . 1 1 22 22 LYS HD3 H 1 1.620 0.02 . 2 . . . . 22 LYS HD3 . 11019 1 208 . 1 1 22 22 LYS CE C 13 39.100 0.4 . 1 . . . . 22 LYS CE . 11019 1 209 . 1 1 22 22 LYS HE3 H 1 2.920 0.02 . 2 . . . . 22 LYS HE3 . 11019 1 210 . 1 1 22 22 LYS C C 13 171.569 0.4 . 1 . . . . 22 LYS C . 11019 1 211 . 1 1 22 22 LYS HB2 H 1 1.750 0.02 . 2 . . . . 22 LYS HB2 . 11019 1 212 . 1 1 22 22 LYS HD2 H 1 1.620 0.02 . 2 . . . . 22 LYS HD2 . 11019 1 213 . 1 1 22 22 LYS HE2 H 1 2.920 0.02 . 2 . . . . 22 LYS HE2 . 11019 1 214 . 1 1 22 22 LYS HG2 H 1 1.380 0.02 . 2 . . . . 22 LYS HG2 . 11019 1 215 . 1 1 23 23 PRO CD C 13 47.800 0.4 . 1 . . . . 23 PRO CD . 11019 1 216 . 1 1 23 23 PRO CA C 13 60.300 0.4 . 1 . . . . 23 PRO CA . 11019 1 217 . 1 1 23 23 PRO HA H 1 4.330 0.02 . 1 . . . . 23 PRO HA . 11019 1 218 . 1 1 23 23 PRO CB C 13 29.300 0.4 . 1 . . . . 23 PRO CB . 11019 1 219 . 1 1 23 23 PRO CG C 13 24.500 0.4 . 1 . . . . 23 PRO CG . 11019 1 220 . 1 1 23 23 PRO HG3 H 1 1.950 0.02 . 2 . . . . 23 PRO HG3 . 11019 1 221 . 1 1 23 23 PRO HD3 H 1 3.570 0.02 . 2 . . . . 23 PRO HD3 . 11019 1 222 . 1 1 23 23 PRO C C 13 174.000 0.4 . 1 . . . . 23 PRO C . 11019 1 223 . 1 1 23 23 PRO HD2 H 1 3.670 0.02 . 2 . . . . 23 PRO HD2 . 11019 1 224 . 1 1 23 23 PRO HG2 H 1 1.950 0.02 . 2 . . . . 23 PRO HG2 . 11019 1 225 . 1 1 24 24 LEU N N 15 123.026 0.4 . 1 . . . . 24 LEU N . 11019 1 226 . 1 1 24 24 LEU H H 1 8.271 0.02 . 1 . . . . 24 LEU H . 11019 1 227 . 1 1 24 24 LEU CA C 13 52.327 0.4 . 1 . . . . 24 LEU CA . 11019 1 228 . 1 1 24 24 LEU HA H 1 4.263 0.02 . 1 . . . . 24 LEU HA . 11019 1 229 . 1 1 24 24 LEU CB C 13 39.500 0.4 . 1 . . . . 24 LEU CB . 11019 1 230 . 1 1 24 24 LEU HB3 H 1 1.540 0.02 . 2 . . . . 24 LEU HB3 . 11019 1 231 . 1 1 24 24 LEU CG C 13 24.159 0.4 . 1 . . . . 24 LEU CG . 11019 1 232 . 1 1 24 24 LEU HG H 1 1.512 0.02 . 1 . . . . 24 LEU HG . 11019 1 233 . 1 1 24 24 LEU HD11 H 1 0.750 0.02 . 2 . . . . 24 LEU HD1 . 11019 1 234 . 1 1 24 24 LEU HD12 H 1 0.750 0.02 . 2 . . . . 24 LEU HD1 . 11019 1 235 . 1 1 24 24 LEU HD13 H 1 0.750 0.02 . 2 . . . . 24 LEU HD1 . 11019 1 236 . 1 1 24 24 LEU HD21 H 1 0.740 0.02 . 2 . . . . 24 LEU HD2 . 11019 1 237 . 1 1 24 24 LEU HD22 H 1 0.740 0.02 . 2 . . . . 24 LEU HD2 . 11019 1 238 . 1 1 24 24 LEU HD23 H 1 0.740 0.02 . 2 . . . . 24 LEU HD2 . 11019 1 239 . 1 1 24 24 LEU CD1 C 13 21.952 0.4 . 1 . . . . 24 LEU CD1 . 11019 1 240 . 1 1 24 24 LEU CD2 C 13 20.735 0.4 . 1 . . . . 24 LEU CD2 . 11019 1 241 . 1 1 24 24 LEU C C 13 174.539 0.4 . 1 . . . . 24 LEU C . 11019 1 242 . 1 1 24 24 LEU HB2 H 1 1.432 0.02 . 2 . . . . 24 LEU HB2 . 11019 1 243 . 1 1 25 25 LYS N N 15 123.527 0.4 . 1 . . . . 25 LYS N . 11019 1 244 . 1 1 25 25 LYS H H 1 8.170 0.02 . 1 . . . . 25 LYS H . 11019 1 245 . 1 1 25 25 LYS CA C 13 53.300 0.4 . 1 . . . . 25 LYS CA . 11019 1 246 . 1 1 25 25 LYS HA H 1 4.260 0.02 . 1 . . . . 25 LYS HA . 11019 1 247 . 1 1 25 25 LYS CB C 13 29.900 0.4 . 1 . . . . 25 LYS CB . 11019 1 248 . 1 1 25 25 LYS HB3 H 1 1.700 0.02 . 2 . . . . 25 LYS HB3 . 11019 1 249 . 1 1 25 25 LYS C C 13 172.201 0.4 . 1 . . . . 25 LYS C . 11019 1 250 . 1 1 25 25 LYS HB2 H 1 1.700 0.02 . 2 . . . . 25 LYS HB2 . 11019 1 251 . 1 1 28 28 CYS CA C 13 55.186 0.4 . 1 . . . . 28 CYS CA . 11019 1 252 . 1 1 28 28 CYS HA H 1 4.368 0.02 . 1 . . . . 28 CYS HA . 11019 1 253 . 1 1 28 28 CYS CB C 13 25.730 0.4 . 1 . . . . 28 CYS CB . 11019 1 254 . 1 1 28 28 CYS HB3 H 1 2.844 0.02 . 2 . . . . 28 CYS HB3 . 11019 1 255 . 1 1 28 28 CYS HB2 H 1 2.844 0.02 . 2 . . . . 28 CYS HB2 . 11019 1 256 . 1 1 29 29 ALA N N 15 125.015 0.4 . 1 . . . . 29 ALA N . 11019 1 257 . 1 1 29 29 ALA H H 1 7.672 0.02 . 1 . . . . 29 ALA H . 11019 1 258 . 1 1 29 29 ALA CA C 13 49.278 0.4 . 1 . . . . 29 ALA CA . 11019 1 259 . 1 1 29 29 ALA HA H 1 4.206 0.02 . 1 . . . . 29 ALA HA . 11019 1 260 . 1 1 29 29 ALA HB1 H 1 1.210 0.02 . 1 . . . . 29 ALA HB . 11019 1 261 . 1 1 29 29 ALA HB2 H 1 1.210 0.02 . 1 . . . . 29 ALA HB . 11019 1 262 . 1 1 29 29 ALA HB3 H 1 1.210 0.02 . 1 . . . . 29 ALA HB . 11019 1 263 . 1 1 29 29 ALA CB C 13 17.399 0.4 . 1 . . . . 29 ALA CB . 11019 1 264 . 1 1 29 29 ALA C C 13 173.420 0.4 . 1 . . . . 29 ALA C . 11019 1 265 . 1 1 30 30 CYS N N 15 115.942 0.4 . 1 . . . . 30 CYSS N . 11019 1 266 . 1 1 30 30 CYS H H 1 9.088 0.02 . 1 . . . . 30 CYSS H . 11019 1 267 . 1 1 30 30 CYS CA C 13 55.841 0.4 . 1 . . . . 30 CYSS CA . 11019 1 268 . 1 1 30 30 CYS HA H 1 4.331 0.02 . 1 . . . . 30 CYSS HA . 11019 1 269 . 1 1 30 30 CYS CB C 13 40.666 0.4 . 1 . . . . 30 CYSS CB . 11019 1 270 . 1 1 30 30 CYS HB2 H 1 3.774 0.02 . 2 . . . . 30 CYSS HB2 . 11019 1 271 . 1 1 30 30 CYS HB3 H 1 3.156 0.02 . 2 . . . . 30 CYSS HB3 . 11019 1 272 . 1 1 30 30 CYS C C 13 169.427 0.4 . 1 . . . . 30 CYSS C . 11019 1 273 . 1 1 31 31 PRO CD C 13 47.645 0.4 . 1 . . . . 31 PRO CD . 11019 1 274 . 1 1 31 31 PRO CA C 13 62.135 0.4 . 1 . . . . 31 PRO CA . 11019 1 275 . 1 1 31 31 PRO HA H 1 4.126 0.02 . 1 . . . . 31 PRO HA . 11019 1 276 . 1 1 31 31 PRO CB C 13 28.204 0.4 . 1 . . . . 31 PRO CB . 11019 1 277 . 1 1 31 31 PRO HB3 H 1 2.072 0.02 . 2 . . . . 31 PRO HB3 . 11019 1 278 . 1 1 31 31 PRO CG C 13 24.798 0.4 . 1 . . . . 31 PRO CG . 11019 1 279 . 1 1 31 31 PRO HG3 H 1 2.021 0.02 . 2 . . . . 31 PRO HG3 . 11019 1 280 . 1 1 31 31 PRO HD3 H 1 3.724 0.02 . 2 . . . . 31 PRO HD3 . 11019 1 281 . 1 1 31 31 PRO C C 13 177.200 0.4 . 1 . . . . 31 PRO C . 11019 1 282 . 1 1 31 31 PRO HB2 H 1 1.906 0.02 . 2 . . . . 31 PRO HB2 . 11019 1 283 . 1 1 31 31 PRO HD2 H 1 3.573 0.02 . 2 . . . . 31 PRO HD2 . 11019 1 284 . 1 1 31 31 PRO HG2 H 1 2.021 0.02 . 2 . . . . 31 PRO HG2 . 11019 1 285 . 1 1 32 32 GLU N N 15 119.052 0.4 . 1 . . . . 32 GLU N . 11019 1 286 . 1 1 32 32 GLU H H 1 8.076 0.02 . 1 . . . . 32 GLU H . 11019 1 287 . 1 1 32 32 GLU CA C 13 57.453 0.4 . 1 . . . . 32 GLU CA . 11019 1 288 . 1 1 32 32 GLU HA H 1 4.035 0.02 . 1 . . . . 32 GLU HA . 11019 1 289 . 1 1 32 32 GLU CB C 13 25.876 0.4 . 1 . . . . 32 GLU CB . 11019 1 290 . 1 1 32 32 GLU HB3 H 1 2.085 0.02 . 2 . . . . 32 GLU HB3 . 11019 1 291 . 1 1 32 32 GLU CG C 13 33.801 0.4 . 1 . . . . 32 GLU CG . 11019 1 292 . 1 1 32 32 GLU HG3 H 1 2.287 0.02 . 2 . . . . 32 GLU HG3 . 11019 1 293 . 1 1 32 32 GLU C C 13 177.687 0.4 . 1 . . . . 32 GLU C . 11019 1 294 . 1 1 32 32 GLU HB2 H 1 1.985 0.02 . 2 . . . . 32 GLU HB2 . 11019 1 295 . 1 1 32 32 GLU HG2 H 1 2.221 0.02 . 2 . . . . 32 GLU HG2 . 11019 1 296 . 1 1 33 33 THR N N 15 112.749 0.4 . 1 . . . . 33 THR N . 11019 1 297 . 1 1 33 33 THR H H 1 8.610 0.02 . 1 . . . . 33 THR H . 11019 1 298 . 1 1 33 33 THR CA C 13 61.708 0.4 . 1 . . . . 33 THR CA . 11019 1 299 . 1 1 33 33 THR HA H 1 3.969 0.02 . 1 . . . . 33 THR HA . 11019 1 300 . 1 1 33 33 THR CB C 13 63.933 0.4 . 1 . . . . 33 THR CB . 11019 1 301 . 1 1 33 33 THR HB H 1 4.128 0.02 . 1 . . . . 33 THR HB . 11019 1 302 . 1 1 33 33 THR HG21 H 1 1.172 0.02 . 1 . . . . 33 THR HG2 . 11019 1 303 . 1 1 33 33 THR HG22 H 1 1.172 0.02 . 1 . . . . 33 THR HG2 . 11019 1 304 . 1 1 33 33 THR HG23 H 1 1.172 0.02 . 1 . . . . 33 THR HG2 . 11019 1 305 . 1 1 33 33 THR CG2 C 13 19.502 0.4 . 1 . . . . 33 THR CG2 . 11019 1 306 . 1 1 33 33 THR C C 13 177.038 0.4 . 1 . . . . 33 THR C . 11019 1 307 . 1 1 34 34 LYS N N 15 127.030 0.4 . 1 . . . . 34 LYS N . 11019 1 308 . 1 1 34 34 LYS H H 1 7.961 0.02 . 1 . . . . 34 LYS H . 11019 1 309 . 1 1 34 34 LYS CA C 13 57.824 0.4 . 1 . . . . 34 LYS CA . 11019 1 310 . 1 1 34 34 LYS HA H 1 2.749 0.02 . 1 . . . . 34 LYS HA . 11019 1 311 . 1 1 34 34 LYS CB C 13 30.199 0.4 . 1 . . . . 34 LYS CB . 11019 1 312 . 1 1 34 34 LYS HB3 H 1 1.613 0.02 . 2 . . . . 34 LYS HB3 . 11019 1 313 . 1 1 34 34 LYS CG C 13 22.272 0.4 . 1 . . . . 34 LYS CG . 11019 1 314 . 1 1 34 34 LYS HG3 H 1 1.170 0.02 . 2 . . . . 34 LYS HG3 . 11019 1 315 . 1 1 34 34 LYS CD C 13 26.319 0.4 . 1 . . . . 34 LYS CD . 11019 1 316 . 1 1 34 34 LYS HD3 H 1 1.428 0.02 . 2 . . . . 34 LYS HD3 . 11019 1 317 . 1 1 34 34 LYS CE C 13 39.455 0.4 . 1 . . . . 34 LYS CE . 11019 1 318 . 1 1 34 34 LYS HE3 H 1 2.826 0.02 . 2 . . . . 34 LYS HE3 . 11019 1 319 . 1 1 34 34 LYS C C 13 174.595 0.4 . 1 . . . . 34 LYS C . 11019 1 320 . 1 1 34 34 LYS HB2 H 1 1.538 0.02 . 2 . . . . 34 LYS HB2 . 11019 1 321 . 1 1 34 34 LYS HD2 H 1 1.559 0.02 . 2 . . . . 34 LYS HD2 . 11019 1 322 . 1 1 34 34 LYS HE2 H 1 2.826 0.02 . 2 . . . . 34 LYS HE2 . 11019 1 323 . 1 1 34 34 LYS HG2 H 1 0.712 0.02 . 2 . . . . 34 LYS HG2 . 11019 1 324 . 1 1 35 35 LYS N N 15 117.842 0.4 . 1 . . . . 35 LYS N . 11019 1 325 . 1 1 35 35 LYS H H 1 7.718 0.02 . 1 . . . . 35 LYS H . 11019 1 326 . 1 1 35 35 LYS CA C 13 56.493 0.4 . 1 . . . . 35 LYS CA . 11019 1 327 . 1 1 35 35 LYS HA H 1 3.861 0.02 . 1 . . . . 35 LYS HA . 11019 1 328 . 1 1 35 35 LYS CB C 13 29.507 0.4 . 1 . . . . 35 LYS CB . 11019 1 329 . 1 1 35 35 LYS HB3 H 1 1.801 0.02 . 2 . . . . 35 LYS HB3 . 11019 1 330 . 1 1 35 35 LYS CG C 13 21.958 0.4 . 1 . . . . 35 LYS CG . 11019 1 331 . 1 1 35 35 LYS HG3 H 1 1.341 0.02 . 2 . . . . 35 LYS HG3 . 11019 1 332 . 1 1 35 35 LYS CD C 13 26.330 0.4 . 1 . . . . 35 LYS CD . 11019 1 333 . 1 1 35 35 LYS HD3 H 1 1.584 0.02 . 2 . . . . 35 LYS HD3 . 11019 1 334 . 1 1 35 35 LYS CE C 13 39.144 0.4 . 1 . . . . 35 LYS CE . 11019 1 335 . 1 1 35 35 LYS HE3 H 1 2.850 0.02 . 2 . . . . 35 LYS HE3 . 11019 1 336 . 1 1 35 35 LYS C C 13 176.713 0.4 . 1 . . . . 35 LYS C . 11019 1 337 . 1 1 35 35 LYS HB2 H 1 1.740 0.02 . 2 . . . . 35 LYS HB2 . 11019 1 338 . 1 1 35 35 LYS HD2 H 1 1.584 0.02 . 2 . . . . 35 LYS HD2 . 11019 1 339 . 1 1 35 35 LYS HE2 H 1 2.850 0.02 . 2 . . . . 35 LYS HE2 . 11019 1 340 . 1 1 35 35 LYS HG2 H 1 1.461 0.02 . 2 . . . . 35 LYS HG2 . 11019 1 341 . 1 1 36 36 ALA N N 15 119.853 0.4 . 1 . . . . 36 ALA N . 11019 1 342 . 1 1 36 36 ALA H H 1 7.459 0.02 . 1 . . . . 36 ALA H . 11019 1 343 . 1 1 36 36 ALA CA C 13 51.984 0.4 . 1 . . . . 36 ALA CA . 11019 1 344 . 1 1 36 36 ALA HA H 1 4.025 0.02 . 1 . . . . 36 ALA HA . 11019 1 345 . 1 1 36 36 ALA HB1 H 1 1.348 0.02 . 1 . . . . 36 ALA HB . 11019 1 346 . 1 1 36 36 ALA HB2 H 1 1.348 0.02 . 1 . . . . 36 ALA HB . 11019 1 347 . 1 1 36 36 ALA HB3 H 1 1.348 0.02 . 1 . . . . 36 ALA HB . 11019 1 348 . 1 1 36 36 ALA CB C 13 15.429 0.4 . 1 . . . . 36 ALA CB . 11019 1 349 . 1 1 36 36 ALA C C 13 177.731 0.4 . 1 . . . . 36 ALA C . 11019 1 350 . 1 1 37 37 ARG N N 15 118.520 0.4 . 1 . . . . 37 ARG N . 11019 1 351 . 1 1 37 37 ARG H H 1 7.816 0.02 . 1 . . . . 37 ARG H . 11019 1 352 . 1 1 37 37 ARG CA C 13 56.801 0.4 . 1 . . . . 37 ARG CA . 11019 1 353 . 1 1 37 37 ARG HA H 1 3.619 0.02 . 1 . . . . 37 ARG HA . 11019 1 354 . 1 1 37 37 ARG CB C 13 27.215 0.4 . 1 . . . . 37 ARG CB . 11019 1 355 . 1 1 37 37 ARG HB3 H 1 1.608 0.02 . 2 . . . . 37 ARG HB3 . 11019 1 356 . 1 1 37 37 ARG CG C 13 22.577 0.4 . 1 . . . . 37 ARG CG . 11019 1 357 . 1 1 37 37 ARG HG3 H 1 1.454 0.02 . 2 . . . . 37 ARG HG3 . 11019 1 358 . 1 1 37 37 ARG CD C 13 40.792 0.4 . 1 . . . . 37 ARG CD . 11019 1 359 . 1 1 37 37 ARG HD3 H 1 3.289 0.02 . 2 . . . . 37 ARG HD3 . 11019 1 360 . 1 1 37 37 ARG HE H 1 6.170 0.02 . 1 . . . . 37 ARG HE . 11019 1 361 . 1 1 37 37 ARG C C 13 174.278 0.4 . 1 . . . . 37 ARG C . 11019 1 362 . 1 1 37 37 ARG HB2 H 1 1.953 0.02 . 2 . . . . 37 ARG HB2 . 11019 1 363 . 1 1 37 37 ARG HD2 H 1 2.744 0.02 . 2 . . . . 37 ARG HD2 . 11019 1 364 . 1 1 37 37 ARG HG2 H 1 1.230 0.02 . 2 . . . . 37 ARG HG2 . 11019 1 365 . 1 1 38 38 ASP N N 15 120.078 0.4 . 1 . . . . 38 ASP N . 11019 1 366 . 1 1 38 38 ASP H H 1 8.720 0.02 . 1 . . . . 38 ASP H . 11019 1 367 . 1 1 38 38 ASP CA C 13 54.757 0.4 . 1 . . . . 38 ASP CA . 11019 1 368 . 1 1 38 38 ASP HA H 1 4.124 0.02 . 1 . . . . 38 ASP HA . 11019 1 369 . 1 1 38 38 ASP CB C 13 36.154 0.4 . 1 . . . . 38 ASP CB . 11019 1 370 . 1 1 38 38 ASP HB3 H 1 2.496 0.02 . 2 . . . . 38 ASP HB3 . 11019 1 371 . 1 1 38 38 ASP C C 13 175.682 0.4 . 1 . . . . 38 ASP C . 11019 1 372 . 1 1 38 38 ASP HB2 H 1 2.496 0.02 . 2 . . . . 38 ASP HB2 . 11019 1 373 . 1 1 39 39 ALA N N 15 120.713 0.4 . 1 . . . . 39 ALA N . 11019 1 374 . 1 1 39 39 ALA H H 1 7.949 0.02 . 1 . . . . 39 ALA H . 11019 1 375 . 1 1 39 39 ALA CA C 13 52.036 0.4 . 1 . . . . 39 ALA CA . 11019 1 376 . 1 1 39 39 ALA HA H 1 4.013 0.02 . 1 . . . . 39 ALA HA . 11019 1 377 . 1 1 39 39 ALA HB1 H 1 1.360 0.02 . 1 . . . . 39 ALA HB . 11019 1 378 . 1 1 39 39 ALA HB2 H 1 1.360 0.02 . 1 . . . . 39 ALA HB . 11019 1 379 . 1 1 39 39 ALA HB3 H 1 1.360 0.02 . 1 . . . . 39 ALA HB . 11019 1 380 . 1 1 39 39 ALA CB C 13 15.229 0.4 . 1 . . . . 39 ALA CB . 11019 1 381 . 1 1 39 39 ALA C C 13 176.833 0.4 . 1 . . . . 39 ALA C . 11019 1 382 . 1 1 40 40 CYS N N 15 117.561 0.4 . 1 . . . . 40 CYSS N . 11019 1 383 . 1 1 40 40 CYS H H 1 7.314 0.02 . 1 . . . . 40 CYSS H . 11019 1 384 . 1 1 40 40 CYS CA C 13 57.788 0.4 . 1 . . . . 40 CYSS CA . 11019 1 385 . 1 1 40 40 CYS HA H 1 4.154 0.02 . 1 . . . . 40 CYSS HA . 11019 1 386 . 1 1 40 40 CYS CB C 13 36.566 0.4 . 1 . . . . 40 CYSS CB . 11019 1 387 . 1 1 40 40 CYS HB2 H 1 3.303 0.02 . 2 . . . . 40 CYSS HB2 . 11019 1 388 . 1 1 40 40 CYS HB3 H 1 2.874 0.02 . 2 . . . . 40 CYSS HB3 . 11019 1 389 . 1 1 40 40 CYS C C 13 173.882 0.4 . 1 . . . . 40 CYSS C . 11019 1 390 . 1 1 41 41 ILE N N 15 121.518 0.4 . 1 . . . . 41 ILE N . 11019 1 391 . 1 1 41 41 ILE H H 1 8.296 0.02 . 1 . . . . 41 ILE H . 11019 1 392 . 1 1 41 41 ILE CA C 13 63.678 0.4 . 1 . . . . 41 ILE CA . 11019 1 393 . 1 1 41 41 ILE HA H 1 3.022 0.02 . 1 . . . . 41 ILE HA . 11019 1 394 . 1 1 41 41 ILE CB C 13 35.179 0.4 . 1 . . . . 41 ILE CB . 11019 1 395 . 1 1 41 41 ILE HB H 1 1.758 0.02 . 1 . . . . 41 ILE HB . 11019 1 396 . 1 1 41 41 ILE HG21 H 1 0.778 0.02 . 1 . . . . 41 ILE HG2 . 11019 1 397 . 1 1 41 41 ILE HG22 H 1 0.778 0.02 . 1 . . . . 41 ILE HG2 . 11019 1 398 . 1 1 41 41 ILE HG23 H 1 0.778 0.02 . 1 . . . . 41 ILE HG2 . 11019 1 399 . 1 1 41 41 ILE CG2 C 13 14.151 0.4 . 1 . . . . 41 ILE CG2 . 11019 1 400 . 1 1 41 41 ILE CG1 C 13 27.599 0.4 . 1 . . . . 41 ILE CG1 . 11019 1 401 . 1 1 41 41 ILE HG13 H 1 1.861 0.02 . 2 . . . . 41 ILE HG13 . 11019 1 402 . 1 1 41 41 ILE HD11 H 1 0.757 0.02 . 1 . . . . 41 ILE HD1 . 11019 1 403 . 1 1 41 41 ILE HD12 H 1 0.757 0.02 . 1 . . . . 41 ILE HD1 . 11019 1 404 . 1 1 41 41 ILE HD13 H 1 0.757 0.02 . 1 . . . . 41 ILE HD1 . 11019 1 405 . 1 1 41 41 ILE CD1 C 13 11.147 0.4 . 1 . . . . 41 ILE CD1 . 11019 1 406 . 1 1 41 41 ILE C C 13 176.190 0.4 . 1 . . . . 41 ILE C . 11019 1 407 . 1 1 41 41 ILE HG12 H 1 0.514 0.02 . 2 . . . . 41 ILE HG12 . 11019 1 408 . 1 1 42 42 ILE N N 15 118.860 0.4 . 1 . . . . 42 ILE N . 11019 1 409 . 1 1 42 42 ILE H H 1 7.719 0.02 . 1 . . . . 42 ILE H . 11019 1 410 . 1 1 42 42 ILE CA C 13 61.309 0.4 . 1 . . . . 42 ILE CA . 11019 1 411 . 1 1 42 42 ILE HA H 1 3.685 0.02 . 1 . . . . 42 ILE HA . 11019 1 412 . 1 1 42 42 ILE CB C 13 35.353 0.4 . 1 . . . . 42 ILE CB . 11019 1 413 . 1 1 42 42 ILE HB H 1 1.735 0.02 . 1 . . . . 42 ILE HB . 11019 1 414 . 1 1 42 42 ILE HG21 H 1 0.833 0.02 . 1 . . . . 42 ILE HG2 . 11019 1 415 . 1 1 42 42 ILE HG22 H 1 0.833 0.02 . 1 . . . . 42 ILE HG2 . 11019 1 416 . 1 1 42 42 ILE HG23 H 1 0.833 0.02 . 1 . . . . 42 ILE HG2 . 11019 1 417 . 1 1 42 42 ILE CG2 C 13 14.684 0.4 . 1 . . . . 42 ILE CG2 . 11019 1 418 . 1 1 42 42 ILE CG1 C 13 26.281 0.4 . 1 . . . . 42 ILE CG1 . 11019 1 419 . 1 1 42 42 ILE HG13 H 1 1.515 0.02 . 2 . . . . 42 ILE HG13 . 11019 1 420 . 1 1 42 42 ILE HD11 H 1 0.752 0.02 . 1 . . . . 42 ILE HD1 . 11019 1 421 . 1 1 42 42 ILE HD12 H 1 0.752 0.02 . 1 . . . . 42 ILE HD1 . 11019 1 422 . 1 1 42 42 ILE HD13 H 1 0.752 0.02 . 1 . . . . 42 ILE HD1 . 11019 1 423 . 1 1 42 42 ILE CD1 C 13 10.496 0.4 . 1 . . . . 42 ILE CD1 . 11019 1 424 . 1 1 42 42 ILE C C 13 174.314 0.4 . 1 . . . . 42 ILE C . 11019 1 425 . 1 1 42 42 ILE HG12 H 1 1.156 0.02 . 2 . . . . 42 ILE HG12 . 11019 1 426 . 1 1 43 43 GLU N N 15 118.544 0.4 . 1 . . . . 43 GLU N . 11019 1 427 . 1 1 43 43 GLU H H 1 7.573 0.02 . 1 . . . . 43 GLU H . 11019 1 428 . 1 1 43 43 GLU CA C 13 56.130 0.4 . 1 . . . . 43 GLU CA . 11019 1 429 . 1 1 43 43 GLU HA H 1 4.044 0.02 . 1 . . . . 43 GLU HA . 11019 1 430 . 1 1 43 43 GLU CB C 13 28.264 0.4 . 1 . . . . 43 GLU CB . 11019 1 431 . 1 1 43 43 GLU HB3 H 1 1.968 0.02 . 2 . . . . 43 GLU HB3 . 11019 1 432 . 1 1 43 43 GLU CG C 13 33.531 0.4 . 1 . . . . 43 GLU CG . 11019 1 433 . 1 1 43 43 GLU HG3 H 1 2.056 0.02 . 2 . . . . 43 GLU HG3 . 11019 1 434 . 1 1 43 43 GLU C C 13 175.430 0.4 . 1 . . . . 43 GLU C . 11019 1 435 . 1 1 43 43 GLU HB2 H 1 2.015 0.02 . 2 . . . . 43 GLU HB2 . 11019 1 436 . 1 1 43 43 GLU HG2 H 1 2.335 0.02 . 2 . . . . 43 GLU HG2 . 11019 1 437 . 1 1 44 44 LYS N N 15 114.482 0.4 . 1 . . . . 44 LYS N . 11019 1 438 . 1 1 44 44 LYS H H 1 8.856 0.02 . 1 . . . . 44 LYS H . 11019 1 439 . 1 1 44 44 LYS CA C 13 53.835 0.4 . 1 . . . . 44 LYS CA . 11019 1 440 . 1 1 44 44 LYS HA H 1 4.460 0.02 . 1 . . . . 44 LYS HA . 11019 1 441 . 1 1 44 44 LYS CB C 13 32.784 0.4 . 1 . . . . 44 LYS CB . 11019 1 442 . 1 1 44 44 LYS HB3 H 1 1.759 0.02 . 2 . . . . 44 LYS HB3 . 11019 1 443 . 1 1 44 44 LYS CG C 13 22.485 0.4 . 1 . . . . 44 LYS CG . 11019 1 444 . 1 1 44 44 LYS HG3 H 1 1.419 0.02 . 2 . . . . 44 LYS HG3 . 11019 1 445 . 1 1 44 44 LYS CD C 13 26.560 0.4 . 1 . . . . 44 LYS CD . 11019 1 446 . 1 1 44 44 LYS HD3 H 1 1.584 0.02 . 2 . . . . 44 LYS HD3 . 11019 1 447 . 1 1 44 44 LYS CE C 13 39.362 0.4 . 1 . . . . 44 LYS CE . 11019 1 448 . 1 1 44 44 LYS HE3 H 1 2.888 0.02 . 2 . . . . 44 LYS HE3 . 11019 1 449 . 1 1 44 44 LYS C C 13 174.506 0.4 . 1 . . . . 44 LYS C . 11019 1 450 . 1 1 44 44 LYS HB2 H 1 1.928 0.02 . 2 . . . . 44 LYS HB2 . 11019 1 451 . 1 1 44 44 LYS HD2 H 1 1.584 0.02 . 2 . . . . 44 LYS HD2 . 11019 1 452 . 1 1 44 44 LYS HE2 H 1 2.888 0.02 . 2 . . . . 44 LYS HE2 . 11019 1 453 . 1 1 44 44 LYS HG2 H 1 1.275 0.02 . 2 . . . . 44 LYS HG2 . 11019 1 454 . 1 1 45 45 GLY N N 15 108.682 0.4 . 1 . . . . 45 GLY N . 11019 1 455 . 1 1 45 45 GLY H H 1 7.656 0.02 . 1 . . . . 45 GLY H . 11019 1 456 . 1 1 45 45 GLY CA C 13 41.400 0.4 . 1 . . . . 45 GLY CA . 11019 1 457 . 1 1 45 45 GLY HA3 H 1 4.574 0.02 . 2 . . . . 45 GLY HA3 . 11019 1 458 . 1 1 45 45 GLY C C 13 171.025 0.4 . 1 . . . . 45 GLY C . 11019 1 459 . 1 1 45 45 GLY HA2 H 1 3.808 0.02 . 2 . . . . 45 GLY HA2 . 11019 1 460 . 1 1 46 46 GLU N N 15 120.586 0.4 . 1 . . . . 46 GLU N . 11019 1 461 . 1 1 46 46 GLU H H 1 8.898 0.02 . 1 . . . . 46 GLU H . 11019 1 462 . 1 1 46 46 GLU CA C 13 58.478 0.4 . 1 . . . . 46 GLU CA . 11019 1 463 . 1 1 46 46 GLU HA H 1 3.396 0.02 . 1 . . . . 46 GLU HA . 11019 1 464 . 1 1 46 46 GLU CB C 13 26.876 0.4 . 1 . . . . 46 GLU CB . 11019 1 465 . 1 1 46 46 GLU HB3 H 1 1.830 0.02 . 2 . . . . 46 GLU HB3 . 11019 1 466 . 1 1 46 46 GLU CG C 13 33.579 0.4 . 1 . . . . 46 GLU CG . 11019 1 467 . 1 1 46 46 GLU HG3 H 1 2.071 0.02 . 2 . . . . 46 GLU HG3 . 11019 1 468 . 1 1 46 46 GLU C C 13 175.871 0.4 . 1 . . . . 46 GLU C . 11019 1 469 . 1 1 46 46 GLU HB2 H 1 1.947 0.02 . 2 . . . . 46 GLU HB2 . 11019 1 470 . 1 1 46 46 GLU HG2 H 1 2.071 0.02 . 2 . . . . 46 GLU HG2 . 11019 1 471 . 1 1 47 47 GLU N N 15 118.676 0.4 . 1 . . . . 47 GLU N . 11019 1 472 . 1 1 47 47 GLU H H 1 9.565 0.02 . 1 . . . . 47 GLU H . 11019 1 473 . 1 1 47 47 GLU CA C 13 55.924 0.4 . 1 . . . . 47 GLU CA . 11019 1 474 . 1 1 47 47 GLU HA H 1 3.914 0.02 . 1 . . . . 47 GLU HA . 11019 1 475 . 1 1 47 47 GLU CB C 13 25.399 0.4 . 1 . . . . 47 GLU CB . 11019 1 476 . 1 1 47 47 GLU HB3 H 1 1.656 0.02 . 2 . . . . 47 GLU HB3 . 11019 1 477 . 1 1 47 47 GLU CG C 13 32.880 0.4 . 1 . . . . 47 GLU CG . 11019 1 478 . 1 1 47 47 GLU HG3 H 1 1.682 0.02 . 2 . . . . 47 GLU HG3 . 11019 1 479 . 1 1 47 47 GLU C C 13 174.378 0.4 . 1 . . . . 47 GLU C . 11019 1 480 . 1 1 47 47 GLU HB2 H 1 1.722 0.02 . 2 . . . . 47 GLU HB2 . 11019 1 481 . 1 1 47 47 GLU HG2 H 1 1.846 0.02 . 2 . . . . 47 GLU HG2 . 11019 1 482 . 1 1 48 48 HIS N N 15 117.538 0.4 . 1 . . . . 48 HIS N . 11019 1 483 . 1 1 48 48 HIS H H 1 7.463 0.02 . 1 . . . . 48 HIS H . 11019 1 484 . 1 1 48 48 HIS CA C 13 53.170 0.4 . 1 . . . . 48 HIS CA . 11019 1 485 . 1 1 48 48 HIS HA H 1 4.874 0.02 . 1 . . . . 48 HIS HA . 11019 1 486 . 1 1 48 48 HIS CB C 13 28.861 0.4 . 1 . . . . 48 HIS CB . 11019 1 487 . 1 1 48 48 HIS HB3 H 1 2.717 0.02 . 2 . . . . 48 HIS HB3 . 11019 1 488 . 1 1 48 48 HIS ND1 N 15 224.000 0.4 . 1 . . . . 48 HIS ND1 . 11019 1 489 . 1 1 48 48 HIS NE2 N 15 176.500 0.4 . 1 . . . . 48 HIS NE2 . 11019 1 490 . 1 1 48 48 HIS HD2 H 1 7.134 0.02 . 1 . . . . 48 HIS HD2 . 11019 1 491 . 1 1 48 48 HIS HE1 H 1 7.752 0.02 . 1 . . . . 48 HIS HE1 . 11019 1 492 . 1 1 48 48 HIS C C 13 173.542 0.4 . 1 . . . . 48 HIS C . 11019 1 493 . 1 1 48 48 HIS HB2 H 1 3.344 0.02 . 2 . . . . 48 HIS HB2 . 11019 1 494 . 1 1 49 49 CYS N N 15 115.970 0.4 . 1 . . . . 49 CYSS N . 11019 1 495 . 1 1 49 49 CYS H H 1 7.446 0.02 . 1 . . . . 49 CYSS H . 11019 1 496 . 1 1 49 49 CYS CA C 13 51.601 0.4 . 1 . . . . 49 CYSS CA . 11019 1 497 . 1 1 49 49 CYS HA H 1 5.041 0.02 . 1 . . . . 49 CYSS HA . 11019 1 498 . 1 1 49 49 CYS CB C 13 39.508 0.4 . 1 . . . . 49 CYSS CB . 11019 1 499 . 1 1 49 49 CYS HB2 H 1 3.181 0.02 . 2 . . . . 49 CYSS HB2 . 11019 1 500 . 1 1 49 49 CYS HB3 H 1 2.372 0.02 . 2 . . . . 49 CYSS HB3 . 11019 1 501 . 1 1 49 49 CYS C C 13 173.888 0.4 . 1 . . . . 49 CYSS C . 11019 1 502 . 1 1 50 50 GLY N N 15 113.108 0.4 . 1 . . . . 50 GLY N . 11019 1 503 . 1 1 50 50 GLY H H 1 9.227 0.02 . 1 . . . . 50 GLY H . 11019 1 504 . 1 1 50 50 GLY CA C 13 45.489 0.4 . 1 . . . . 50 GLY CA . 11019 1 505 . 1 1 50 50 GLY HA3 H 1 3.696 0.02 . 2 . . . . 50 GLY HA3 . 11019 1 506 . 1 1 50 50 GLY C C 13 172.592 0.4 . 1 . . . . 50 GLY C . 11019 1 507 . 1 1 50 50 GLY HA2 H 1 4.081 0.02 . 2 . . . . 50 GLY HA2 . 11019 1 508 . 1 1 51 51 HIS CA C 13 56.434 0.4 . 1 . . . . 51 HIS CA . 11019 1 509 . 1 1 51 51 HIS HA H 1 4.481 0.02 . 1 . . . . 51 HIS HA . 11019 1 510 . 1 1 51 51 HIS CB C 13 26.015 0.4 . 1 . . . . 51 HIS CB . 11019 1 511 . 1 1 51 51 HIS HB3 H 1 3.061 0.02 . 2 . . . . 51 HIS HB3 . 11019 1 512 . 1 1 51 51 HIS ND1 N 15 239.800 0.4 . 1 . . . . 51 HIS ND1 . 11019 1 513 . 1 1 51 51 HIS NE2 N 15 171.100 0.4 . 1 . . . . 51 HIS NE2 . 11019 1 514 . 1 1 51 51 HIS HD2 H 1 6.962 0.02 . 1 . . . . 51 HIS HD2 . 11019 1 515 . 1 1 51 51 HIS HE1 H 1 7.855 0.02 . 1 . . . . 51 HIS HE1 . 11019 1 516 . 1 1 51 51 HIS HB2 H 1 3.061 0.02 . 2 . . . . 51 HIS HB2 . 11019 1 517 . 1 1 52 52 LEU N N 15 122.096 0.4 . 1 . . . . 52 LEU N . 11019 1 518 . 1 1 52 52 LEU H H 1 6.738 0.02 . 1 . . . . 52 LEU H . 11019 1 519 . 1 1 52 52 LEU CA C 13 53.709 0.4 . 1 . . . . 52 LEU CA . 11019 1 520 . 1 1 52 52 LEU HA H 1 4.110 0.02 . 1 . . . . 52 LEU HA . 11019 1 521 . 1 1 52 52 LEU CB C 13 38.938 0.4 . 1 . . . . 52 LEU CB . 11019 1 522 . 1 1 52 52 LEU HB3 H 1 1.281 0.02 . 2 . . . . 52 LEU HB3 . 11019 1 523 . 1 1 52 52 LEU CG C 13 23.506 0.4 . 1 . . . . 52 LEU CG . 11019 1 524 . 1 1 52 52 LEU HG H 1 0.769 0.02 . 1 . . . . 52 LEU HG . 11019 1 525 . 1 1 52 52 LEU HD11 H 1 0.660 0.02 . 2 . . . . 52 LEU HD1 . 11019 1 526 . 1 1 52 52 LEU HD12 H 1 0.660 0.02 . 2 . . . . 52 LEU HD1 . 11019 1 527 . 1 1 52 52 LEU HD13 H 1 0.660 0.02 . 2 . . . . 52 LEU HD1 . 11019 1 528 . 1 1 52 52 LEU HD21 H 1 0.650 0.02 . 2 . . . . 52 LEU HD2 . 11019 1 529 . 1 1 52 52 LEU HD22 H 1 0.650 0.02 . 2 . . . . 52 LEU HD2 . 11019 1 530 . 1 1 52 52 LEU HD23 H 1 0.650 0.02 . 2 . . . . 52 LEU HD2 . 11019 1 531 . 1 1 52 52 LEU CD1 C 13 19.759 0.4 . 1 . . . . 52 LEU CD1 . 11019 1 532 . 1 1 52 52 LEU CD2 C 13 19.527 0.4 . 1 . . . . 52 LEU CD2 . 11019 1 533 . 1 1 52 52 LEU C C 13 178.064 0.4 . 1 . . . . 52 LEU C . 11019 1 534 . 1 1 52 52 LEU HB2 H 1 1.532 0.02 . 2 . . . . 52 LEU HB2 . 11019 1 535 . 1 1 53 53 ILE N N 15 124.473 0.4 . 1 . . . . 53 ILE N . 11019 1 536 . 1 1 53 53 ILE H H 1 8.232 0.02 . 1 . . . . 53 ILE H . 11019 1 537 . 1 1 53 53 ILE CA C 13 63.451 0.4 . 1 . . . . 53 ILE CA . 11019 1 538 . 1 1 53 53 ILE HA H 1 3.383 0.02 . 1 . . . . 53 ILE HA . 11019 1 539 . 1 1 53 53 ILE CB C 13 35.848 0.4 . 1 . . . . 53 ILE CB . 11019 1 540 . 1 1 53 53 ILE HB H 1 1.929 0.02 . 1 . . . . 53 ILE HB . 11019 1 541 . 1 1 53 53 ILE HG21 H 1 0.902 0.02 . 1 . . . . 53 ILE HG2 . 11019 1 542 . 1 1 53 53 ILE HG22 H 1 0.902 0.02 . 1 . . . . 53 ILE HG2 . 11019 1 543 . 1 1 53 53 ILE HG23 H 1 0.902 0.02 . 1 . . . . 53 ILE HG2 . 11019 1 544 . 1 1 53 53 ILE CG2 C 13 13.858 0.4 . 1 . . . . 53 ILE CG2 . 11019 1 545 . 1 1 53 53 ILE CG1 C 13 26.971 0.4 . 1 . . . . 53 ILE CG1 . 11019 1 546 . 1 1 53 53 ILE HG13 H 1 1.584 0.02 . 2 . . . . 53 ILE HG13 . 11019 1 547 . 1 1 53 53 ILE HD11 H 1 0.761 0.02 . 1 . . . . 53 ILE HD1 . 11019 1 548 . 1 1 53 53 ILE HD12 H 1 0.761 0.02 . 1 . . . . 53 ILE HD1 . 11019 1 549 . 1 1 53 53 ILE HD13 H 1 0.761 0.02 . 1 . . . . 53 ILE HD1 . 11019 1 550 . 1 1 53 53 ILE CD1 C 13 11.332 0.4 . 1 . . . . 53 ILE CD1 . 11019 1 551 . 1 1 53 53 ILE C C 13 176.370 0.4 . 1 . . . . 53 ILE C . 11019 1 552 . 1 1 53 53 ILE HG12 H 1 0.920 0.02 . 2 . . . . 53 ILE HG12 . 11019 1 553 . 1 1 54 54 GLU N N 15 120.130 0.4 . 1 . . . . 54 GLU N . 11019 1 554 . 1 1 54 54 GLU H H 1 8.350 0.02 . 1 . . . . 54 GLU H . 11019 1 555 . 1 1 54 54 GLU CA C 13 56.157 0.4 . 1 . . . . 54 GLU CA . 11019 1 556 . 1 1 54 54 GLU HA H 1 4.031 0.02 . 1 . . . . 54 GLU HA . 11019 1 557 . 1 1 54 54 GLU CB C 13 26.063 0.4 . 1 . . . . 54 GLU CB . 11019 1 558 . 1 1 54 54 GLU HB3 H 1 1.990 0.02 . 2 . . . . 54 GLU HB3 . 11019 1 559 . 1 1 54 54 GLU CG C 13 33.428 0.4 . 1 . . . . 54 GLU CG . 11019 1 560 . 1 1 54 54 GLU HG3 H 1 2.341 0.02 . 2 . . . . 54 GLU HG3 . 11019 1 561 . 1 1 54 54 GLU C C 13 175.613 0.4 . 1 . . . . 54 GLU C . 11019 1 562 . 1 1 54 54 GLU HB2 H 1 1.990 0.02 . 2 . . . . 54 GLU HB2 . 11019 1 563 . 1 1 54 54 GLU HG2 H 1 2.231 0.02 . 2 . . . . 54 GLU HG2 . 11019 1 564 . 1 1 55 55 ALA N N 15 120.653 0.4 . 1 . . . . 55 ALA N . 11019 1 565 . 1 1 55 55 ALA H H 1 7.799 0.02 . 1 . . . . 55 ALA H . 11019 1 566 . 1 1 55 55 ALA CA C 13 52.293 0.4 . 1 . . . . 55 ALA CA . 11019 1 567 . 1 1 55 55 ALA HA H 1 4.119 0.02 . 1 . . . . 55 ALA HA . 11019 1 568 . 1 1 55 55 ALA HB1 H 1 1.434 0.02 . 1 . . . . 55 ALA HB . 11019 1 569 . 1 1 55 55 ALA HB2 H 1 1.434 0.02 . 1 . . . . 55 ALA HB . 11019 1 570 . 1 1 55 55 ALA HB3 H 1 1.434 0.02 . 1 . . . . 55 ALA HB . 11019 1 571 . 1 1 55 55 ALA CB C 13 14.891 0.4 . 1 . . . . 55 ALA CB . 11019 1 572 . 1 1 55 55 ALA C C 13 178.372 0.4 . 1 . . . . 55 ALA C . 11019 1 573 . 1 1 56 56 HIS N N 15 118.026 0.4 . 1 . . . . 56 HIS N . 11019 1 574 . 1 1 56 56 HIS H H 1 7.600 0.02 . 1 . . . . 56 HIS H . 11019 1 575 . 1 1 56 56 HIS CA C 13 56.786 0.4 . 1 . . . . 56 HIS CA . 11019 1 576 . 1 1 56 56 HIS HA H 1 4.477 0.02 . 1 . . . . 56 HIS HA . 11019 1 577 . 1 1 56 56 HIS CB C 13 28.476 0.4 . 1 . . . . 56 HIS CB . 11019 1 578 . 1 1 56 56 HIS HB3 H 1 2.658 0.02 . 2 . . . . 56 HIS HB3 . 11019 1 579 . 1 1 56 56 HIS ND1 N 15 219.800 0.4 . 1 . . . . 56 HIS ND1 . 11019 1 580 . 1 1 56 56 HIS NE2 N 15 178.800 0.4 . 1 . . . . 56 HIS NE2 . 11019 1 581 . 1 1 56 56 HIS HD2 H 1 6.821 0.02 . 1 . . . . 56 HIS HD2 . 11019 1 582 . 1 1 56 56 HIS HE1 H 1 7.761 0.02 . 1 . . . . 56 HIS HE1 . 11019 1 583 . 1 1 56 56 HIS C C 13 173.803 0.4 . 1 . . . . 56 HIS C . 11019 1 584 . 1 1 56 56 HIS HB2 H 1 3.127 0.02 . 2 . . . . 56 HIS HB2 . 11019 1 585 . 1 1 57 57 LYS N N 15 118.549 0.4 . 1 . . . . 57 LYS N . 11019 1 586 . 1 1 57 57 LYS H H 1 7.675 0.02 . 1 . . . . 57 LYS H . 11019 1 587 . 1 1 57 57 LYS CA C 13 57.804 0.4 . 1 . . . . 57 LYS CA . 11019 1 588 . 1 1 57 57 LYS HA H 1 3.559 0.02 . 1 . . . . 57 LYS HA . 11019 1 589 . 1 1 57 57 LYS CB C 13 29.280 0.4 . 1 . . . . 57 LYS CB . 11019 1 590 . 1 1 57 57 LYS HB3 H 1 1.660 0.02 . 2 . . . . 57 LYS HB3 . 11019 1 591 . 1 1 57 57 LYS CG C 13 22.903 0.4 . 1 . . . . 57 LYS CG . 11019 1 592 . 1 1 57 57 LYS HG3 H 1 1.605 0.02 . 2 . . . . 57 LYS HG3 . 11019 1 593 . 1 1 57 57 LYS CD C 13 26.969 0.4 . 1 . . . . 57 LYS CD . 11019 1 594 . 1 1 57 57 LYS HD3 H 1 1.581 0.02 . 2 . . . . 57 LYS HD3 . 11019 1 595 . 1 1 57 57 LYS CE C 13 39.143 0.4 . 1 . . . . 57 LYS CE . 11019 1 596 . 1 1 57 57 LYS HE3 H 1 2.821 0.02 . 2 . . . . 57 LYS HE3 . 11019 1 597 . 1 1 57 57 LYS C C 13 176.358 0.4 . 1 . . . . 57 LYS C . 11019 1 598 . 1 1 57 57 LYS HB2 H 1 1.925 0.02 . 2 . . . . 57 LYS HB2 . 11019 1 599 . 1 1 57 57 LYS HD2 H 1 1.581 0.02 . 2 . . . . 57 LYS HD2 . 11019 1 600 . 1 1 57 57 LYS HE2 H 1 2.725 0.02 . 2 . . . . 57 LYS HE2 . 11019 1 601 . 1 1 57 57 LYS HG2 H 1 1.209 0.02 . 2 . . . . 57 LYS HG2 . 11019 1 602 . 1 1 58 58 GLU N N 15 117.855 0.4 . 1 . . . . 58 GLU N . 11019 1 603 . 1 1 58 58 GLU H H 1 8.449 0.02 . 1 . . . . 58 GLU H . 11019 1 604 . 1 1 58 58 GLU CA C 13 56.418 0.4 . 1 . . . . 58 GLU CA . 11019 1 605 . 1 1 58 58 GLU HA H 1 3.931 0.02 . 1 . . . . 58 GLU HA . 11019 1 606 . 1 1 58 58 GLU CB C 13 26.492 0.4 . 1 . . . . 58 GLU CB . 11019 1 607 . 1 1 58 58 GLU HB3 H 1 1.954 0.02 . 2 . . . . 58 GLU HB3 . 11019 1 608 . 1 1 58 58 GLU CG C 13 33.268 0.4 . 1 . . . . 58 GLU CG . 11019 1 609 . 1 1 58 58 GLU HG3 H 1 2.261 0.02 . 2 . . . . 58 GLU HG3 . 11019 1 610 . 1 1 58 58 GLU C C 13 175.892 0.4 . 1 . . . . 58 GLU C . 11019 1 611 . 1 1 58 58 GLU HB2 H 1 1.954 0.02 . 2 . . . . 58 GLU HB2 . 11019 1 612 . 1 1 58 58 GLU HG2 H 1 2.215 0.02 . 2 . . . . 58 GLU HG2 . 11019 1 613 . 1 1 59 59 CYS N N 15 121.245 0.4 . 1 . . . . 59 CYSS N . 11019 1 614 . 1 1 59 59 CYS H H 1 7.595 0.02 . 1 . . . . 59 CYSS H . 11019 1 615 . 1 1 59 59 CYS CA C 13 57.849 0.4 . 1 . . . . 59 CYSS CA . 11019 1 616 . 1 1 59 59 CYS HA H 1 4.072 0.02 . 1 . . . . 59 CYSS HA . 11019 1 617 . 1 1 59 59 CYS CB C 13 38.821 0.4 . 1 . . . . 59 CYSS CB . 11019 1 618 . 1 1 59 59 CYS HB2 H 1 3.098 0.02 . 2 . . . . 59 CYSS HB2 . 11019 1 619 . 1 1 59 59 CYS HB3 H 1 3.313 0.02 . 2 . . . . 59 CYSS HB3 . 11019 1 620 . 1 1 59 59 CYS C C 13 174.116 0.4 . 1 . . . . 59 CYSS C . 11019 1 621 . 1 1 60 60 MET N N 15 119.335 0.4 . 1 . . . . 60 MET N . 11019 1 622 . 1 1 60 60 MET H H 1 7.845 0.02 . 1 . . . . 60 MET H . 11019 1 623 . 1 1 60 60 MET CA C 13 53.916 0.4 . 1 . . . . 60 MET CA . 11019 1 624 . 1 1 60 60 MET HA H 1 4.162 0.02 . 1 . . . . 60 MET HA . 11019 1 625 . 1 1 60 60 MET CB C 13 28.230 0.4 . 1 . . . . 60 MET CB . 11019 1 626 . 1 1 60 60 MET HB3 H 1 1.666 0.02 . 2 . . . . 60 MET HB3 . 11019 1 627 . 1 1 60 60 MET CG C 13 27.928 0.4 . 1 . . . . 60 MET CG . 11019 1 628 . 1 1 60 60 MET HG3 H 1 1.909 0.02 . 2 . . . . 60 MET HG3 . 11019 1 629 . 1 1 60 60 MET C C 13 176.993 0.4 . 1 . . . . 60 MET C . 11019 1 630 . 1 1 60 60 MET HB2 H 1 1.801 0.02 . 2 . . . . 60 MET HB2 . 11019 1 631 . 1 1 60 60 MET HG2 H 1 1.909 0.02 . 2 . . . . 60 MET HG2 . 11019 1 632 . 1 1 61 61 ARG N N 15 121.784 0.4 . 1 . . . . 61 ARG N . 11019 1 633 . 1 1 61 61 ARG H H 1 8.707 0.02 . 1 . . . . 61 ARG H . 11019 1 634 . 1 1 61 61 ARG CA C 13 56.478 0.4 . 1 . . . . 61 ARG CA . 11019 1 635 . 1 1 61 61 ARG HA H 1 4.156 0.02 . 1 . . . . 61 ARG HA . 11019 1 636 . 1 1 61 61 ARG CB C 13 27.353 0.4 . 1 . . . . 61 ARG CB . 11019 1 637 . 1 1 61 61 ARG HB3 H 1 1.801 0.02 . 2 . . . . 61 ARG HB3 . 11019 1 638 . 1 1 61 61 ARG CG C 13 24.926 0.4 . 1 . . . . 61 ARG CG . 11019 1 639 . 1 1 61 61 ARG HG3 H 1 1.571 0.02 . 2 . . . . 61 ARG HG3 . 11019 1 640 . 1 1 61 61 ARG CD C 13 40.459 0.4 . 1 . . . . 61 ARG CD . 11019 1 641 . 1 1 61 61 ARG HD3 H 1 3.030 0.02 . 2 . . . . 61 ARG HD3 . 11019 1 642 . 1 1 61 61 ARG C C 13 178.202 0.4 . 1 . . . . 61 ARG C . 11019 1 643 . 1 1 61 61 ARG HB2 H 1 1.801 0.02 . 2 . . . . 61 ARG HB2 . 11019 1 644 . 1 1 61 61 ARG HD2 H 1 3.064 0.02 . 2 . . . . 61 ARG HD2 . 11019 1 645 . 1 1 61 61 ARG HG2 H 1 1.677 0.02 . 2 . . . . 61 ARG HG2 . 11019 1 646 . 1 1 62 62 ALA N N 15 122.367 0.4 . 1 . . . . 62 ALA N . 11019 1 647 . 1 1 62 62 ALA H H 1 7.807 0.02 . 1 . . . . 62 ALA H . 11019 1 648 . 1 1 62 62 ALA CA C 13 51.778 0.4 . 1 . . . . 62 ALA CA . 11019 1 649 . 1 1 62 62 ALA HA H 1 4.032 0.02 . 1 . . . . 62 ALA HA . 11019 1 650 . 1 1 62 62 ALA HB1 H 1 1.331 0.02 . 1 . . . . 62 ALA HB . 11019 1 651 . 1 1 62 62 ALA HB2 H 1 1.331 0.02 . 1 . . . . 62 ALA HB . 11019 1 652 . 1 1 62 62 ALA HB3 H 1 1.331 0.02 . 1 . . . . 62 ALA HB . 11019 1 653 . 1 1 62 62 ALA CB C 13 14.868 0.4 . 1 . . . . 62 ALA CB . 11019 1 654 . 1 1 62 62 ALA C C 13 176.352 0.4 . 1 . . . . 62 ALA C . 11019 1 655 . 1 1 63 63 LEU N N 15 116.579 0.4 . 1 . . . . 63 LEU N . 11019 1 656 . 1 1 63 63 LEU H H 1 7.159 0.02 . 1 . . . . 63 LEU H . 11019 1 657 . 1 1 63 63 LEU CA C 13 52.044 0.4 . 1 . . . . 63 LEU CA . 11019 1 658 . 1 1 63 63 LEU HA H 1 4.205 0.02 . 1 . . . . 63 LEU HA . 11019 1 659 . 1 1 63 63 LEU CB C 13 40.209 0.4 . 1 . . . . 63 LEU CB . 11019 1 660 . 1 1 63 63 LEU HB3 H 1 1.528 0.02 . 2 . . . . 63 LEU HB3 . 11019 1 661 . 1 1 63 63 LEU CG C 13 24.531 0.4 . 1 . . . . 63 LEU CG . 11019 1 662 . 1 1 63 63 LEU HG H 1 1.853 0.02 . 1 . . . . 63 LEU HG . 11019 1 663 . 1 1 63 63 LEU HD11 H 1 0.818 0.02 . 2 . . . . 63 LEU HD1 . 11019 1 664 . 1 1 63 63 LEU HD12 H 1 0.818 0.02 . 2 . . . . 63 LEU HD1 . 11019 1 665 . 1 1 63 63 LEU HD13 H 1 0.818 0.02 . 2 . . . . 63 LEU HD1 . 11019 1 666 . 1 1 63 63 LEU HD21 H 1 1.071 0.02 . 2 . . . . 63 LEU HD2 . 11019 1 667 . 1 1 63 63 LEU HD22 H 1 1.071 0.02 . 2 . . . . 63 LEU HD2 . 11019 1 668 . 1 1 63 63 LEU HD23 H 1 1.071 0.02 . 2 . . . . 63 LEU HD2 . 11019 1 669 . 1 1 63 63 LEU CD1 C 13 19.843 0.4 . 1 . . . . 63 LEU CD1 . 11019 1 670 . 1 1 63 63 LEU CD2 C 13 23.780 0.4 . 1 . . . . 63 LEU CD2 . 11019 1 671 . 1 1 63 63 LEU C C 13 174.219 0.4 . 1 . . . . 63 LEU C . 11019 1 672 . 1 1 63 63 LEU HB2 H 1 1.924 0.02 . 2 . . . . 63 LEU HB2 . 11019 1 673 . 1 1 64 64 GLY N N 15 105.680 0.4 . 1 . . . . 64 GLY N . 11019 1 674 . 1 1 64 64 GLY H H 1 7.734 0.02 . 1 . . . . 64 GLY H . 11019 1 675 . 1 1 64 64 GLY CA C 13 42.110 0.4 . 1 . . . . 64 GLY CA . 11019 1 676 . 1 1 64 64 GLY HA3 H 1 3.923 0.02 . 2 . . . . 64 GLY HA3 . 11019 1 677 . 1 1 64 64 GLY C C 13 171.536 0.4 . 1 . . . . 64 GLY C . 11019 1 678 . 1 1 64 64 GLY HA2 H 1 3.500 0.02 . 2 . . . . 64 GLY HA2 . 11019 1 679 . 1 1 65 65 PHE N N 15 119.549 0.4 . 1 . . . . 65 PHE N . 11019 1 680 . 1 1 65 65 PHE H H 1 7.704 0.02 . 1 . . . . 65 PHE H . 11019 1 681 . 1 1 65 65 PHE CA C 13 54.498 0.4 . 1 . . . . 65 PHE CA . 11019 1 682 . 1 1 65 65 PHE HA H 1 4.535 0.02 . 1 . . . . 65 PHE HA . 11019 1 683 . 1 1 65 65 PHE CB C 13 36.947 0.4 . 1 . . . . 65 PHE CB . 11019 1 684 . 1 1 65 65 PHE HB3 H 1 2.594 0.02 . 2 . . . . 65 PHE HB3 . 11019 1 685 . 1 1 65 65 PHE HD1 H 1 7.240 0.02 . 1 . . . . 65 PHE HD1 . 11019 1 686 . 1 1 65 65 PHE HE1 H 1 7.160 0.02 . 1 . . . . 65 PHE HE1 . 11019 1 687 . 1 1 65 65 PHE HZ H 1 7.120 0.02 . 1 . . . . 65 PHE HZ . 11019 1 688 . 1 1 65 65 PHE HE2 H 1 7.160 0.02 . 1 . . . . 65 PHE HE2 . 11019 1 689 . 1 1 65 65 PHE HD2 H 1 7.240 0.02 . 1 . . . . 65 PHE HD2 . 11019 1 690 . 1 1 65 65 PHE C C 13 172.423 0.4 . 1 . . . . 65 PHE C . 11019 1 691 . 1 1 65 65 PHE HB2 H 1 2.938 0.02 . 2 . . . . 65 PHE HB2 . 11019 1 692 . 1 1 66 66 LYS N N 15 123.711 0.4 . 1 . . . . 66 LYS N . 11019 1 693 . 1 1 66 66 LYS H H 1 8.493 0.02 . 1 . . . . 66 LYS H . 11019 1 694 . 1 1 66 66 LYS CA C 13 53.129 0.4 . 1 . . . . 66 LYS CA . 11019 1 695 . 1 1 66 66 LYS HA H 1 4.262 0.02 . 1 . . . . 66 LYS HA . 11019 1 696 . 1 1 66 66 LYS CB C 13 29.191 0.4 . 1 . . . . 66 LYS CB . 11019 1 697 . 1 1 66 66 LYS HB3 H 1 1.700 0.02 . 2 . . . . 66 LYS HB3 . 11019 1 698 . 1 1 66 66 LYS CG C 13 21.803 0.4 . 1 . . . . 66 LYS CG . 11019 1 699 . 1 1 66 66 LYS HG3 H 1 1.265 0.02 . 2 . . . . 66 LYS HG3 . 11019 1 700 . 1 1 66 66 LYS CD C 13 26.061 0.4 . 1 . . . . 66 LYS CD . 11019 1 701 . 1 1 66 66 LYS HD3 H 1 1.661 0.02 . 2 . . . . 66 LYS HD3 . 11019 1 702 . 1 1 66 66 LYS CE C 13 39.171 0.4 . 1 . . . . 66 LYS CE . 11019 1 703 . 1 1 66 66 LYS HE3 H 1 2.920 0.02 . 2 . . . . 66 LYS HE3 . 11019 1 704 . 1 1 66 66 LYS C C 13 172.406 0.4 . 1 . . . . 66 LYS C . 11019 1 705 . 1 1 66 66 LYS HB2 H 1 1.700 0.02 . 2 . . . . 66 LYS HB2 . 11019 1 706 . 1 1 66 66 LYS HD2 H 1 1.661 0.02 . 2 . . . . 66 LYS HD2 . 11019 1 707 . 1 1 66 66 LYS HE2 H 1 2.920 0.02 . 2 . . . . 66 LYS HE2 . 11019 1 708 . 1 1 66 66 LYS HG2 H 1 1.374 0.02 . 2 . . . . 66 LYS HG2 . 11019 1 709 . 1 1 67 67 ILE N N 15 127.610 0.4 . 1 . . . . 67 ILE N . 11019 1 710 . 1 1 67 67 ILE H H 1 7.568 0.02 . 1 . . . . 67 ILE H . 11019 1 711 . 1 1 67 67 ILE CA C 13 58.527 0.4 . 1 . . . . 67 ILE CA . 11019 1 712 . 1 1 67 67 ILE HA H 1 4.020 0.02 . 1 . . . . 67 ILE HA . 11019 1 713 . 1 1 67 67 ILE CB C 13 36.969 0.4 . 1 . . . . 67 ILE CB . 11019 1 714 . 1 1 67 67 ILE HB H 1 1.721 0.02 . 1 . . . . 67 ILE HB . 11019 1 715 . 1 1 67 67 ILE HG21 H 1 0.743 0.02 . 1 . . . . 67 ILE HG2 . 11019 1 716 . 1 1 67 67 ILE HG22 H 1 0.743 0.02 . 1 . . . . 67 ILE HG2 . 11019 1 717 . 1 1 67 67 ILE HG23 H 1 0.743 0.02 . 1 . . . . 67 ILE HG2 . 11019 1 718 . 1 1 67 67 ILE CG2 C 13 15.161 0.4 . 1 . . . . 67 ILE CG2 . 11019 1 719 . 1 1 67 67 ILE CG1 C 13 24.677 0.4 . 1 . . . . 67 ILE CG1 . 11019 1 720 . 1 1 67 67 ILE HG13 H 1 1.021 0.02 . 2 . . . . 67 ILE HG13 . 11019 1 721 . 1 1 67 67 ILE HD11 H 1 0.764 0.02 . 1 . . . . 67 ILE HD1 . 11019 1 722 . 1 1 67 67 ILE HD12 H 1 0.764 0.02 . 1 . . . . 67 ILE HD1 . 11019 1 723 . 1 1 67 67 ILE HD13 H 1 0.764 0.02 . 1 . . . . 67 ILE HD1 . 11019 1 724 . 1 1 67 67 ILE CD1 C 13 11.513 0.4 . 1 . . . . 67 ILE CD1 . 11019 1 725 . 1 1 67 67 ILE C C 13 177.412 0.4 . 1 . . . . 67 ILE C . 11019 1 726 . 1 1 67 67 ILE HG12 H 1 1.252 0.02 . 2 . . . . 67 ILE HG12 . 11019 1 stop_ save_