################################### # 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 17023 _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 0.15 _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 'Standard deviation across measurements' _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' . . . 17023 1 2 '2D 1H-1H TOCSY' . . . 17023 1 3 '2D 1H-15N HSQC' . . . 17023 1 6 '3D CBCA(CO)NH' . . . 17023 1 7 '3D HNCACB' . . . 17023 1 8 '3D HNCO' . . . 17023 1 9 '3D HN(CA)CO' . . . 17023 1 11 '3D HCCH-TOCSY' . . . 17023 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 2 $CcpNMR . . 17023 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 1 1 GLY CA C 13 45.408 0.150 . 1 . . . . 1 GLY CA . 17023 1 2 . 1 1 2 2 SER C C 13 176.198 0.150 . 1 . . . . 2 SER C . 17023 1 3 . 1 1 2 2 SER CA C 13 58.354 0.025 . 1 . . . . 2 SER CA . 17023 1 4 . 1 1 2 2 SER CB C 13 63.877 0.169 . 1 . . . . 2 SER CB . 17023 1 5 . 1 1 3 3 MET H H 1 8.570 0.007 . 1 . . . . 3 MET H . 17023 1 6 . 1 1 3 3 MET C C 13 176.118 0.054 . 1 . . . . 3 MET C . 17023 1 7 . 1 1 3 3 MET CA C 13 55.752 0.017 . 1 . . . . 3 MET CA . 17023 1 8 . 1 1 3 3 MET CB C 13 32.636 0.092 . 1 . . . . 3 MET CB . 17023 1 9 . 1 1 3 3 MET N N 15 122.586 0.040 . 1 . . . . 3 MET N . 17023 1 10 . 1 1 4 4 ALA H H 1 8.318 0.048 . 1 . . . . 4 ALA H . 17023 1 11 . 1 1 4 4 ALA HA H 1 4.295 0.001 . 1 . . . . 4 ALA HA . 17023 1 12 . 1 1 4 4 ALA HB1 H 1 1.402 0.022 . 1 . . . . 4 ALA HB1 . 17023 1 13 . 1 1 4 4 ALA HB2 H 1 1.402 0.022 . 1 . . . . 4 ALA HB2 . 17023 1 14 . 1 1 4 4 ALA HB3 H 1 1.402 0.022 . 1 . . . . 4 ALA HB3 . 17023 1 15 . 1 1 4 4 ALA C C 13 177.661 0.036 . 1 . . . . 4 ALA C . 17023 1 16 . 1 1 4 4 ALA CA C 13 52.839 0.065 . 1 . . . . 4 ALA CA . 17023 1 17 . 1 1 4 4 ALA CB C 13 18.955 0.080 . 1 . . . . 4 ALA CB . 17023 1 18 . 1 1 4 4 ALA N N 15 125.282 0.511 . 1 . . . . 4 ALA N . 17023 1 19 . 1 1 5 5 GLN H H 1 8.287 0.044 . 1 . . . . 5 GLN H . 17023 1 20 . 1 1 5 5 GLN HE21 H 1 6.859 0.005 . 1 . . . . 5 GLN HE21 . 17023 1 21 . 1 1 5 5 GLN HE22 H 1 7.537 0.006 . 1 . . . . 5 GLN HE22 . 17023 1 22 . 1 1 5 5 GLN C C 13 176.138 0.033 . 1 . . . . 5 GLN C . 17023 1 23 . 1 1 5 5 GLN CA C 13 56.176 0.100 . 1 . . . . 5 GLN CA . 17023 1 24 . 1 1 5 5 GLN CB C 13 29.549 0.078 . 1 . . . . 5 GLN CB . 17023 1 25 . 1 1 5 5 GLN N N 15 119.378 0.508 . 1 . . . . 5 GLN N . 17023 1 26 . 1 1 5 5 GLN NE2 N 15 112.393 0.001 . 1 . . . . 5 GLN NE2 . 17023 1 27 . 1 1 6 6 GLU H H 1 8.447 0.044 . 1 . . . . 6 GLU H . 17023 1 28 . 1 1 6 6 GLU C C 13 176.797 0.011 . 1 . . . . 6 GLU C . 17023 1 29 . 1 1 6 6 GLU CA C 13 56.747 0.080 . 1 . . . . 6 GLU CA . 17023 1 30 . 1 1 6 6 GLU CB C 13 30.189 0.046 . 1 . . . . 6 GLU CB . 17023 1 31 . 1 1 6 6 GLU N N 15 122.225 0.510 . 1 . . . . 6 GLU N . 17023 1 32 . 1 1 7 7 THR H H 1 8.184 0.043 . 1 . . . . 7 THR H . 17023 1 33 . 1 1 7 7 THR HA H 1 4.355 0.001 . 1 . . . . 7 THR HA . 17023 1 34 . 1 1 7 7 THR HB H 1 4.148 0.020 . 1 . . . . 7 THR HB . 17023 1 35 . 1 1 7 7 THR C C 13 174.394 0.025 . 1 . . . . 7 THR C . 17023 1 36 . 1 1 7 7 THR CA C 13 61.958 0.087 . 1 . . . . 7 THR CA . 17023 1 37 . 1 1 7 7 THR CB C 13 69.848 0.065 . 1 . . . . 7 THR CB . 17023 1 38 . 1 1 7 7 THR N N 15 114.748 0.482 . 1 . . . . 7 THR N . 17023 1 39 . 1 1 8 8 ASN H H 1 8.450 0.045 . 1 . . . . 8 ASN H . 17023 1 40 . 1 1 8 8 ASN HA H 1 4.725 0.020 . 1 . . . . 8 ASN HA . 17023 1 41 . 1 1 8 8 ASN HB2 H 1 2.790 0.029 . 2 . . . . 8 ASN HB2 . 17023 1 42 . 1 1 8 8 ASN HB3 H 1 2.894 0.004 . 2 . . . . 8 ASN HB3 . 17023 1 43 . 1 1 8 8 ASN HD21 H 1 6.947 0.006 . 1 . . . . 8 ASN HD21 . 17023 1 44 . 1 1 8 8 ASN HD22 H 1 7.624 0.004 . 1 . . . . 8 ASN HD22 . 17023 1 45 . 1 1 8 8 ASN C C 13 175.024 0.150 . 1 . . . . 8 ASN C . 17023 1 46 . 1 1 8 8 ASN CA C 13 53.732 0.167 . 1 . . . . 8 ASN CA . 17023 1 47 . 1 1 8 8 ASN CB C 13 38.900 0.133 . 1 . . . . 8 ASN CB . 17023 1 48 . 1 1 8 8 ASN N N 15 120.826 0.460 . 1 . . . . 8 ASN N . 17023 1 49 . 1 1 8 8 ASN ND2 N 15 112.604 0.221 . 1 . . . . 8 ASN ND2 . 17023 1 50 . 1 1 9 9 GLN H H 1 8.343 0.041 . 1 . . . . 9 GLN H . 17023 1 51 . 1 1 9 9 GLN HE21 H 1 6.838 0.005 . 1 . . . . 9 GLN HE21 . 17023 1 52 . 1 1 9 9 GLN HE22 H 1 7.514 0.005 . 1 . . . . 9 GLN HE22 . 17023 1 53 . 1 1 9 9 GLN C C 13 175.877 0.004 . 1 . . . . 9 GLN C . 17023 1 54 . 1 1 9 9 GLN CA C 13 55.909 0.085 . 1 . . . . 9 GLN CA . 17023 1 55 . 1 1 9 9 GLN CB C 13 29.524 0.098 . 1 . . . . 9 GLN CB . 17023 1 56 . 1 1 9 9 GLN N N 15 120.651 0.422 . 1 . . . . 9 GLN N . 17023 1 57 . 1 1 9 9 GLN NE2 N 15 112.493 0.400 . 1 . . . . 9 GLN NE2 . 17023 1 58 . 1 1 10 10 THR H H 1 8.238 0.043 . 1 . . . . 10 THR H . 17023 1 59 . 1 1 10 10 THR HA H 1 4.576 0.004 . 1 . . . . 10 THR HA . 17023 1 60 . 1 1 10 10 THR HB H 1 4.148 0.004 . 1 . . . . 10 THR HB . 17023 1 61 . 1 1 10 10 THR HG21 H 1 1.343 0.020 . 1 . . . . 10 THR HG21 . 17023 1 62 . 1 1 10 10 THR HG22 H 1 1.343 0.020 . 1 . . . . 10 THR HG22 . 17023 1 63 . 1 1 10 10 THR HG23 H 1 1.343 0.020 . 1 . . . . 10 THR HG23 . 17023 1 64 . 1 1 10 10 THR C C 13 174.899 0.150 . 1 . . . . 10 THR C . 17023 1 65 . 1 1 10 10 THR CA C 13 60.089 0.148 . 1 . . . . 10 THR CA . 17023 1 66 . 1 1 10 10 THR CB C 13 69.769 0.049 . 1 . . . . 10 THR CB . 17023 1 67 . 1 1 10 10 THR CG2 C 13 20.212 0.150 . 1 . . . . 10 THR CG2 . 17023 1 68 . 1 1 10 10 THR N N 15 118.161 0.484 . 1 . . . . 10 THR N . 17023 1 69 . 1 1 11 11 PRO HA H 1 4.414 0.006 . 1 . . . . 11 PRO HA . 17023 1 70 . 1 1 11 11 PRO HB2 H 1 2.035 0.020 . 2 . . . . 11 PRO HB2 . 17023 1 71 . 1 1 11 11 PRO HB3 H 1 2.305 0.002 . 2 . . . . 11 PRO HB3 . 17023 1 72 . 1 1 11 11 PRO HD2 H 1 3.706 0.001 . 2 . . . . 11 PRO HD2 . 17023 1 73 . 1 1 11 11 PRO HD3 H 1 3.827 0.010 . 2 . . . . 11 PRO HD3 . 17023 1 74 . 1 1 11 11 PRO C C 13 177.088 0.150 . 1 . . . . 11 PRO C . 17023 1 75 . 1 1 11 11 PRO CA C 13 63.350 0.118 . 1 . . . . 11 PRO CA . 17023 1 76 . 1 1 11 11 PRO CB C 13 32.122 0.021 . 1 . . . . 11 PRO CB . 17023 1 77 . 1 1 11 11 PRO CD C 13 51.125 0.017 . 1 . . . . 11 PRO CD . 17023 1 78 . 1 1 12 12 GLY H H 1 8.096 0.038 . 1 . . . . 12 GLY H . 17023 1 79 . 1 1 12 12 GLY HA2 H 1 3.931 0.007 . 2 . . . . 12 GLY HA2 . 17023 1 80 . 1 1 12 12 GLY HA3 H 1 4.156 0.005 . 2 . . . . 12 GLY HA3 . 17023 1 81 . 1 1 12 12 GLY C C 13 171.425 0.150 . 1 . . . . 12 GLY C . 17023 1 82 . 1 1 12 12 GLY CA C 13 44.594 0.068 . 1 . . . . 12 GLY CA . 17023 1 83 . 1 1 12 12 GLY N N 15 109.201 0.492 . 1 . . . . 12 GLY N . 17023 1 84 . 1 1 13 13 PRO HA H 1 4.351 0.012 . 1 . . . . 13 PRO HA . 17023 1 85 . 1 1 13 13 PRO HB2 H 1 1.577 0.006 . 2 . . . . 13 PRO HB2 . 17023 1 86 . 1 1 13 13 PRO HB3 H 1 2.022 0.007 . 2 . . . . 13 PRO HB3 . 17023 1 87 . 1 1 13 13 PRO HD2 H 1 3.467 0.003 . 2 . . . . 13 PRO HD2 . 17023 1 88 . 1 1 13 13 PRO HD3 H 1 3.530 0.003 . 2 . . . . 13 PRO HD3 . 17023 1 89 . 1 1 13 13 PRO HG2 H 1 1.716 0.015 . 2 . . . . 13 PRO HG2 . 17023 1 90 . 1 1 13 13 PRO HG3 H 1 1.775 0.005 . 2 . . . . 13 PRO HG3 . 17023 1 91 . 1 1 13 13 PRO C C 13 176.271 0.150 . 1 . . . . 13 PRO C . 17023 1 92 . 1 1 13 13 PRO CA C 13 62.934 0.109 . 1 . . . . 13 PRO CA . 17023 1 93 . 1 1 13 13 PRO CB C 13 32.090 0.063 . 1 . . . . 13 PRO CB . 17023 1 94 . 1 1 13 13 PRO CD C 13 49.697 0.043 . 1 . . . . 13 PRO CD . 17023 1 95 . 1 1 13 13 PRO CG C 13 27.090 0.007 . 1 . . . . 13 PRO CG . 17023 1 96 . 1 1 14 14 MET H H 1 8.548 0.037 . 1 . . . . 14 MET H . 17023 1 97 . 1 1 14 14 MET HA H 1 4.638 0.008 . 1 . . . . 14 MET HA . 17023 1 98 . 1 1 14 14 MET HB2 H 1 2.022 0.010 . 1 . . . . 14 MET HB2 . 17023 1 99 . 1 1 14 14 MET HG2 H 1 2.506 0.008 . 1 . . . . 14 MET HG2 . 17023 1 100 . 1 1 14 14 MET C C 13 175.969 0.025 . 1 . . . . 14 MET C . 17023 1 101 . 1 1 14 14 MET CA C 13 54.613 0.030 . 1 . . . . 14 MET CA . 17023 1 102 . 1 1 14 14 MET CB C 13 34.491 0.095 . 1 . . . . 14 MET CB . 17023 1 103 . 1 1 14 14 MET CG C 13 31.548 0.019 . 1 . . . . 14 MET CG . 17023 1 104 . 1 1 14 14 MET N N 15 120.120 0.443 . 1 . . . . 14 MET N . 17023 1 105 . 1 1 15 15 LEU H H 1 8.633 0.033 . 1 . . . . 15 LEU H . 17023 1 106 . 1 1 15 15 LEU HA H 1 4.263 0.014 . 1 . . . . 15 LEU HA . 17023 1 107 . 1 1 15 15 LEU HB2 H 1 1.610 0.011 . 1 . . . . 15 LEU HB2 . 17023 1 108 . 1 1 15 15 LEU HD11 H 1 0.418 0.006 . 2 . . . . 15 LEU HD11 . 17023 1 109 . 1 1 15 15 LEU HD12 H 1 0.418 0.006 . 2 . . . . 15 LEU HD12 . 17023 1 110 . 1 1 15 15 LEU HD13 H 1 0.418 0.006 . 2 . . . . 15 LEU HD13 . 17023 1 111 . 1 1 15 15 LEU HD21 H 1 0.836 0.004 . 2 . . . . 15 LEU HD21 . 17023 1 112 . 1 1 15 15 LEU HD22 H 1 0.836 0.004 . 2 . . . . 15 LEU HD22 . 17023 1 113 . 1 1 15 15 LEU HD23 H 1 0.836 0.004 . 2 . . . . 15 LEU HD23 . 17023 1 114 . 1 1 15 15 LEU HG H 1 1.603 0.009 . 1 . . . . 15 LEU HG . 17023 1 115 . 1 1 15 15 LEU C C 13 176.495 0.010 . 1 . . . . 15 LEU C . 17023 1 116 . 1 1 15 15 LEU CA C 13 55.200 0.100 . 1 . . . . 15 LEU CA . 17023 1 117 . 1 1 15 15 LEU CB C 13 41.782 0.049 . 1 . . . . 15 LEU CB . 17023 1 118 . 1 1 15 15 LEU CD1 C 13 22.512 0.042 . 2 . . . . 15 LEU CD1 . 17023 1 119 . 1 1 15 15 LEU CD2 C 13 25.279 0.051 . 2 . . . . 15 LEU CD2 . 17023 1 120 . 1 1 15 15 LEU CG C 13 27.407 0.055 . 1 . . . . 15 LEU CG . 17023 1 121 . 1 1 15 15 LEU N N 15 125.183 0.418 . 1 . . . . 15 LEU N . 17023 1 122 . 1 1 16 16 CYS H H 1 9.151 0.031 . 1 . . . . 16 CYS H . 17023 1 123 . 1 1 16 16 CYS HA H 1 4.312 0.007 . 1 . . . . 16 CYS HA . 17023 1 124 . 1 1 16 16 CYS HB2 H 1 2.562 0.006 . 2 . . . . 16 CYS HB2 . 17023 1 125 . 1 1 16 16 CYS HB3 H 1 3.398 0.007 . 2 . . . . 16 CYS HB3 . 17023 1 126 . 1 1 16 16 CYS C C 13 178.952 0.007 . 1 . . . . 16 CYS C . 17023 1 127 . 1 1 16 16 CYS CA C 13 60.552 0.077 . 1 . . . . 16 CYS CA . 17023 1 128 . 1 1 16 16 CYS CB C 13 30.414 0.029 . 1 . . . . 16 CYS CB . 17023 1 129 . 1 1 16 16 CYS N N 15 124.705 0.398 . 1 . . . . 16 CYS N . 17023 1 130 . 1 1 17 17 SER H H 1 8.225 0.029 . 1 . . . . 17 SER H . 17023 1 131 . 1 1 17 17 SER HA H 1 4.244 0.004 . 1 . . . . 17 SER HA . 17023 1 132 . 1 1 17 17 SER HB2 H 1 3.968 0.003 . 2 . . . . 17 SER HB2 . 17023 1 133 . 1 1 17 17 SER HB3 H 1 4.079 0.002 . 2 . . . . 17 SER HB3 . 17023 1 134 . 1 1 17 17 SER C C 13 175.771 0.027 . 1 . . . . 17 SER C . 17023 1 135 . 1 1 17 17 SER CA C 13 60.685 0.013 . 1 . . . . 17 SER CA . 17023 1 136 . 1 1 17 17 SER CB C 13 63.408 0.042 . 1 . . . . 17 SER CB . 17023 1 137 . 1 1 17 17 SER N N 15 126.720 0.418 . 1 . . . . 17 SER N . 17023 1 138 . 1 1 18 18 THR H H 1 8.687 0.030 . 1 . . . . 18 THR H . 17023 1 139 . 1 1 18 18 THR HA H 1 4.429 0.004 . 1 . . . . 18 THR HA . 17023 1 140 . 1 1 18 18 THR HB H 1 4.598 0.008 . 1 . . . . 18 THR HB . 17023 1 141 . 1 1 18 18 THR HG21 H 1 1.460 0.006 . 1 . . . . 18 THR HG21 . 17023 1 142 . 1 1 18 18 THR HG22 H 1 1.460 0.006 . 1 . . . . 18 THR HG22 . 17023 1 143 . 1 1 18 18 THR HG23 H 1 1.460 0.006 . 1 . . . . 18 THR HG23 . 17023 1 144 . 1 1 18 18 THR C C 13 176.819 0.012 . 1 . . . . 18 THR C . 17023 1 145 . 1 1 18 18 THR CA C 13 63.160 0.093 . 1 . . . . 18 THR CA . 17023 1 146 . 1 1 18 18 THR CB C 13 69.408 0.069 . 1 . . . . 18 THR CB . 17023 1 147 . 1 1 18 18 THR CG2 C 13 22.425 0.069 . 1 . . . . 18 THR CG2 . 17023 1 148 . 1 1 18 18 THR N N 15 115.417 0.436 . 1 . . . . 18 THR N . 17023 1 149 . 1 1 19 19 GLY H H 1 7.989 0.033 . 1 . . . . 19 GLY H . 17023 1 150 . 1 1 19 19 GLY HA2 H 1 3.887 0.008 . 2 . . . . 19 GLY HA2 . 17023 1 151 . 1 1 19 19 GLY HA3 H 1 4.253 0.009 . 2 . . . . 19 GLY HA3 . 17023 1 152 . 1 1 19 19 GLY C C 13 175.631 0.004 . 1 . . . . 19 GLY C . 17023 1 153 . 1 1 19 19 GLY CA C 13 45.801 0.061 . 1 . . . . 19 GLY CA . 17023 1 154 . 1 1 19 19 GLY N N 15 107.287 0.387 . 1 . . . . 19 GLY N . 17023 1 155 . 1 1 20 20 CYS H H 1 7.335 0.029 . 1 . . . . 20 CYS H . 17023 1 156 . 1 1 20 20 CYS HA H 1 4.288 0.005 . 1 . . . . 20 CYS HA . 17023 1 157 . 1 1 20 20 CYS HB2 H 1 2.677 0.003 . 2 . . . . 20 CYS HB2 . 17023 1 158 . 1 1 20 20 CYS HB3 H 1 3.269 0.005 . 2 . . . . 20 CYS HB3 . 17023 1 159 . 1 1 20 20 CYS C C 13 176.101 0.020 . 1 . . . . 20 CYS C . 17023 1 160 . 1 1 20 20 CYS CA C 13 60.113 0.085 . 1 . . . . 20 CYS CA . 17023 1 161 . 1 1 20 20 CYS CB C 13 30.100 0.043 . 1 . . . . 20 CYS CB . 17023 1 162 . 1 1 20 20 CYS N N 15 119.655 0.390 . 1 . . . . 20 CYS N . 17023 1 163 . 1 1 21 21 GLY H H 1 8.891 0.034 . 1 . . . . 21 GLY H . 17023 1 164 . 1 1 21 21 GLY HA2 H 1 3.422 0.004 . 2 . . . . 21 GLY HA2 . 17023 1 165 . 1 1 21 21 GLY HA3 H 1 4.227 0.005 . 2 . . . . 21 GLY HA3 . 17023 1 166 . 1 1 21 21 GLY C C 13 173.972 0.015 . 1 . . . . 21 GLY C . 17023 1 167 . 1 1 21 21 GLY CA C 13 45.346 0.017 . 1 . . . . 21 GLY CA . 17023 1 168 . 1 1 21 21 GLY N N 15 111.719 0.412 . 1 . . . . 21 GLY N . 17023 1 169 . 1 1 22 22 PHE H H 1 8.913 0.032 . 1 . . . . 22 PHE H . 17023 1 170 . 1 1 22 22 PHE HA H 1 4.621 0.007 . 1 . . . . 22 PHE HA . 17023 1 171 . 1 1 22 22 PHE HB2 H 1 3.313 0.004 . 2 . . . . 22 PHE HB2 . 17023 1 172 . 1 1 22 22 PHE HB3 H 1 3.394 0.006 . 2 . . . . 22 PHE HB3 . 17023 1 173 . 1 1 22 22 PHE HD1 H 1 7.676 0.004 . 3 . . . . 22 PHE HD1 . 17023 1 174 . 1 1 22 22 PHE HD2 H 1 7.676 0.004 . 3 . . . . 22 PHE HD2 . 17023 1 175 . 1 1 22 22 PHE HE1 H 1 7.403 0.007 . 3 . . . . 22 PHE HE1 . 17023 1 176 . 1 1 22 22 PHE HE2 H 1 7.403 0.007 . 3 . . . . 22 PHE HE2 . 17023 1 177 . 1 1 22 22 PHE HZ H 1 7.342 0.006 . 1 . . . . 22 PHE HZ . 17023 1 178 . 1 1 22 22 PHE C C 13 175.205 0.010 . 1 . . . . 22 PHE C . 17023 1 179 . 1 1 22 22 PHE CA C 13 57.225 0.039 . 1 . . . . 22 PHE CA . 17023 1 180 . 1 1 22 22 PHE CB C 13 38.855 0.035 . 1 . . . . 22 PHE CB . 17023 1 181 . 1 1 22 22 PHE N N 15 123.319 0.375 . 1 . . . . 22 PHE N . 17023 1 182 . 1 1 23 23 TYR H H 1 8.540 0.030 . 1 . . . . 23 TYR H . 17023 1 183 . 1 1 23 23 TYR HA H 1 4.714 0.006 . 1 . . . . 23 TYR HA . 17023 1 184 . 1 1 23 23 TYR HB2 H 1 2.885 0.006 . 2 . . . . 23 TYR HB2 . 17023 1 185 . 1 1 23 23 TYR HB3 H 1 3.151 0.006 . 2 . . . . 23 TYR HB3 . 17023 1 186 . 1 1 23 23 TYR HD1 H 1 7.067 0.008 . 3 . . . . 23 TYR HD1 . 17023 1 187 . 1 1 23 23 TYR HD2 H 1 7.067 0.008 . 3 . . . . 23 TYR HD2 . 17023 1 188 . 1 1 23 23 TYR HE1 H 1 6.784 0.004 . 3 . . . . 23 TYR HE1 . 17023 1 189 . 1 1 23 23 TYR HE2 H 1 6.784 0.004 . 3 . . . . 23 TYR HE2 . 17023 1 190 . 1 1 23 23 TYR C C 13 176.695 0.011 . 1 . . . . 23 TYR C . 17023 1 191 . 1 1 23 23 TYR CA C 13 59.605 0.064 . 1 . . . . 23 TYR CA . 17023 1 192 . 1 1 23 23 TYR CB C 13 38.321 0.075 . 1 . . . . 23 TYR CB . 17023 1 193 . 1 1 23 23 TYR N N 15 118.787 0.433 . 1 . . . . 23 TYR N . 17023 1 194 . 1 1 24 24 GLY H H 1 8.785 0.027 . 1 . . . . 24 GLY H . 17023 1 195 . 1 1 24 24 GLY HA2 H 1 3.053 0.006 . 2 . . . . 24 GLY HA2 . 17023 1 196 . 1 1 24 24 GLY HA3 H 1 3.955 0.004 . 2 . . . . 24 GLY HA3 . 17023 1 197 . 1 1 24 24 GLY C C 13 171.574 0.019 . 1 . . . . 24 GLY C . 17023 1 198 . 1 1 24 24 GLY CA C 13 43.417 0.023 . 1 . . . . 24 GLY CA . 17023 1 199 . 1 1 24 24 GLY N N 15 108.302 0.335 . 1 . . . . 24 GLY N . 17023 1 200 . 1 1 25 25 ASN H H 1 6.799 0.035 . 1 . . . . 25 ASN H . 17023 1 201 . 1 1 25 25 ASN HA H 1 5.194 0.006 . 1 . . . . 25 ASN HA . 17023 1 202 . 1 1 25 25 ASN HB2 H 1 2.651 0.008 . 2 . . . . 25 ASN HB2 . 17023 1 203 . 1 1 25 25 ASN HB3 H 1 3.396 0.006 . 2 . . . . 25 ASN HB3 . 17023 1 204 . 1 1 25 25 ASN HD21 H 1 7.050 0.011 . 1 . . . . 25 ASN HD21 . 17023 1 205 . 1 1 25 25 ASN HD22 H 1 7.655 0.013 . 1 . . . . 25 ASN HD22 . 17023 1 206 . 1 1 25 25 ASN C C 13 175.538 0.150 . 1 . . . . 25 ASN C . 17023 1 207 . 1 1 25 25 ASN CA C 13 49.978 0.048 . 1 . . . . 25 ASN CA . 17023 1 208 . 1 1 25 25 ASN CB C 13 41.029 0.051 . 1 . . . . 25 ASN CB . 17023 1 209 . 1 1 25 25 ASN N N 15 116.897 0.331 . 1 . . . . 25 ASN N . 17023 1 210 . 1 1 25 25 ASN ND2 N 15 113.055 0.217 . 1 . . . . 25 ASN ND2 . 17023 1 211 . 1 1 26 26 PRO HA H 1 4.237 0.005 . 1 . . . . 26 PRO HA . 17023 1 212 . 1 1 26 26 PRO HB2 H 1 2.004 0.017 . 2 . . . . 26 PRO HB2 . 17023 1 213 . 1 1 26 26 PRO HB3 H 1 2.397 0.007 . 2 . . . . 26 PRO HB3 . 17023 1 214 . 1 1 26 26 PRO HD2 H 1 3.845 0.005 . 2 . . . . 26 PRO HD2 . 17023 1 215 . 1 1 26 26 PRO HD3 H 1 3.945 0.015 . 2 . . . . 26 PRO HD3 . 17023 1 216 . 1 1 26 26 PRO HG2 H 1 2.052 0.007 . 1 . . . . 26 PRO HG2 . 17023 1 217 . 1 1 26 26 PRO C C 13 178.135 0.150 . 1 . . . . 26 PRO C . 17023 1 218 . 1 1 26 26 PRO CA C 13 64.950 0.127 . 1 . . . . 26 PRO CA . 17023 1 219 . 1 1 26 26 PRO CB C 13 32.309 0.112 . 1 . . . . 26 PRO CB . 17023 1 220 . 1 1 26 26 PRO CD C 13 51.729 0.044 . 1 . . . . 26 PRO CD . 17023 1 221 . 1 1 26 26 PRO CG C 13 27.402 0.043 . 1 . . . . 26 PRO CG . 17023 1 222 . 1 1 27 27 ARG H H 1 8.426 0.040 . 1 . . . . 27 ARG H . 17023 1 223 . 1 1 27 27 ARG HA H 1 4.257 0.005 . 1 . . . . 27 ARG HA . 17023 1 224 . 1 1 27 27 ARG HB2 H 1 1.717 0.007 . 2 . . . . 27 ARG HB2 . 17023 1 225 . 1 1 27 27 ARG HB3 H 1 1.895 0.008 . 2 . . . . 27 ARG HB3 . 17023 1 226 . 1 1 27 27 ARG HG2 H 1 1.646 0.019 . 1 . . . . 27 ARG HG2 . 17023 1 227 . 1 1 27 27 ARG C C 13 177.195 0.017 . 1 . . . . 27 ARG C . 17023 1 228 . 1 1 27 27 ARG CA C 13 57.384 0.085 . 1 . . . . 27 ARG CA . 17023 1 229 . 1 1 27 27 ARG CB C 13 29.887 0.145 . 1 . . . . 27 ARG CB . 17023 1 230 . 1 1 27 27 ARG N N 15 115.128 0.419 . 1 . . . . 27 ARG N . 17023 1 231 . 1 1 28 28 THR H H 1 7.533 0.027 . 1 . . . . 28 THR H . 17023 1 232 . 1 1 28 28 THR HA H 1 3.760 0.009 . 1 . . . . 28 THR HA . 17023 1 233 . 1 1 28 28 THR HB H 1 3.178 0.011 . 1 . . . . 28 THR HB . 17023 1 234 . 1 1 28 28 THR HG21 H 1 0.484 0.005 . 1 . . . . 28 THR HG21 . 17023 1 235 . 1 1 28 28 THR HG22 H 1 0.484 0.005 . 1 . . . . 28 THR HG22 . 17023 1 236 . 1 1 28 28 THR HG23 H 1 0.484 0.005 . 1 . . . . 28 THR HG23 . 17023 1 237 . 1 1 28 28 THR C C 13 175.220 0.150 . 1 . . . . 28 THR C . 17023 1 238 . 1 1 28 28 THR CA C 13 58.394 0.080 . 1 . . . . 28 THR CA . 17023 1 239 . 1 1 28 28 THR CB C 13 66.577 0.166 . 1 . . . . 28 THR CB . 17023 1 240 . 1 1 28 28 THR CG2 C 13 20.302 0.034 . 1 . . . . 28 THR CG2 . 17023 1 241 . 1 1 28 28 THR N N 15 110.844 0.337 . 1 . . . . 28 THR N . 17023 1 242 . 1 1 29 29 ASN H H 1 8.122 0.030 . 1 . . . . 29 ASN H . 17023 1 243 . 1 1 29 29 ASN HA H 1 4.408 0.005 . 1 . . . . 29 ASN HA . 17023 1 244 . 1 1 29 29 ASN HB2 H 1 2.625 0.009 . 2 . . . . 29 ASN HB2 . 17023 1 245 . 1 1 29 29 ASN HB3 H 1 3.187 0.005 . 2 . . . . 29 ASN HB3 . 17023 1 246 . 1 1 29 29 ASN HD21 H 1 6.798 0.006 . 1 . . . . 29 ASN HD21 . 17023 1 247 . 1 1 29 29 ASN HD22 H 1 6.964 0.007 . 1 . . . . 29 ASN HD22 . 17023 1 248 . 1 1 29 29 ASN C C 13 174.575 0.022 . 1 . . . . 29 ASN C . 17023 1 249 . 1 1 29 29 ASN CA C 13 54.136 0.092 . 1 . . . . 29 ASN CA . 17023 1 250 . 1 1 29 29 ASN CB C 13 37.968 0.083 . 1 . . . . 29 ASN CB . 17023 1 251 . 1 1 29 29 ASN CG C 13 177.831 0.028 . 1 . . . . 29 ASN CG . 17023 1 252 . 1 1 29 29 ASN N N 15 117.131 0.412 . 1 . . . . 29 ASN N . 17023 1 253 . 1 1 29 29 ASN ND2 N 15 109.603 0.235 . 1 . . . . 29 ASN ND2 . 17023 1 254 . 1 1 30 30 GLY H H 1 7.848 0.035 . 1 . . . . 30 GLY H . 17023 1 255 . 1 1 30 30 GLY HA2 H 1 3.396 0.004 . 2 . . . . 30 GLY HA2 . 17023 1 256 . 1 1 30 30 GLY HA3 H 1 4.064 0.005 . 2 . . . . 30 GLY HA3 . 17023 1 257 . 1 1 30 30 GLY C C 13 174.168 0.013 . 1 . . . . 30 GLY C . 17023 1 258 . 1 1 30 30 GLY CA C 13 46.012 0.066 . 1 . . . . 30 GLY CA . 17023 1 259 . 1 1 30 30 GLY N N 15 104.571 0.459 . 1 . . . . 30 GLY N . 17023 1 260 . 1 1 31 31 MET H H 1 7.826 0.027 . 1 . . . . 31 MET H . 17023 1 261 . 1 1 31 31 MET HA H 1 5.928 0.008 . 1 . . . . 31 MET HA . 17023 1 262 . 1 1 31 31 MET HB2 H 1 2.271 0.010 . 2 . . . . 31 MET HB2 . 17023 1 263 . 1 1 31 31 MET HB3 H 1 2.379 0.005 . 2 . . . . 31 MET HB3 . 17023 1 264 . 1 1 31 31 MET HE1 H 1 1.805 0.008 . 1 . . . . 31 MET HE1 . 17023 1 265 . 1 1 31 31 MET HE2 H 1 1.805 0.008 . 1 . . . . 31 MET HE2 . 17023 1 266 . 1 1 31 31 MET HE3 H 1 1.805 0.008 . 1 . . . . 31 MET HE3 . 17023 1 267 . 1 1 31 31 MET HG2 H 1 2.609 0.006 . 1 . . . . 31 MET HG2 . 17023 1 268 . 1 1 31 31 MET C C 13 177.589 0.020 . 1 . . . . 31 MET C . 17023 1 269 . 1 1 31 31 MET CA C 13 54.416 0.130 . 1 . . . . 31 MET CA . 17023 1 270 . 1 1 31 31 MET CB C 13 36.705 0.025 . 1 . . . . 31 MET CB . 17023 1 271 . 1 1 31 31 MET CE C 13 18.303 0.015 . 1 . . . . 31 MET CE . 17023 1 272 . 1 1 31 31 MET CG C 13 33.580 0.097 . 1 . . . . 31 MET CG . 17023 1 273 . 1 1 31 31 MET N N 15 119.347 0.369 . 1 . . . . 31 MET N . 17023 1 274 . 1 1 32 32 CYS H H 1 10.103 0.024 . 1 . . . . 32 CYS H . 17023 1 275 . 1 1 32 32 CYS HA H 1 4.942 0.002 . 1 . . . . 32 CYS HA . 17023 1 276 . 1 1 32 32 CYS HB2 H 1 2.900 0.004 . 2 . . . . 32 CYS HB2 . 17023 1 277 . 1 1 32 32 CYS HB3 H 1 3.447 0.008 . 2 . . . . 32 CYS HB3 . 17023 1 278 . 1 1 32 32 CYS C C 13 175.511 0.011 . 1 . . . . 32 CYS C . 17023 1 279 . 1 1 32 32 CYS CA C 13 58.273 0.086 . 1 . . . . 32 CYS CA . 17023 1 280 . 1 1 32 32 CYS CB C 13 31.428 0.068 . 1 . . . . 32 CYS CB . 17023 1 281 . 1 1 32 32 CYS N N 15 123.829 0.380 . 1 . . . . 32 CYS N . 17023 1 282 . 1 1 33 33 SER H H 1 8.597 0.047 . 1 . . . . 33 SER H . 17023 1 283 . 1 1 33 33 SER HA H 1 4.196 0.002 . 1 . . . . 33 SER HA . 17023 1 284 . 1 1 33 33 SER HB2 H 1 4.004 0.011 . 1 . . . . 33 SER HB2 . 17023 1 285 . 1 1 33 33 SER C C 13 176.818 0.150 . 1 . . . . 33 SER C . 17023 1 286 . 1 1 33 33 SER CA C 13 62.726 0.109 . 1 . . . . 33 SER CA . 17023 1 287 . 1 1 33 33 SER CB C 13 62.860 0.078 . 1 . . . . 33 SER CB . 17023 1 288 . 1 1 33 33 SER N N 15 113.564 0.405 . 1 . . . . 33 SER N . 17023 1 289 . 1 1 34 34 VAL H H 1 7.737 0.029 . 1 . . . . 34 VAL H . 17023 1 290 . 1 1 34 34 VAL HA H 1 3.755 0.003 . 1 . . . . 34 VAL HA . 17023 1 291 . 1 1 34 34 VAL HB H 1 2.279 0.005 . 1 . . . . 34 VAL HB . 17023 1 292 . 1 1 34 34 VAL HG11 H 1 0.950 0.003 . 2 . . . . 34 VAL HG11 . 17023 1 293 . 1 1 34 34 VAL HG12 H 1 0.950 0.003 . 2 . . . . 34 VAL HG12 . 17023 1 294 . 1 1 34 34 VAL HG13 H 1 0.950 0.003 . 2 . . . . 34 VAL HG13 . 17023 1 295 . 1 1 34 34 VAL HG21 H 1 1.020 0.005 . 2 . . . . 34 VAL HG21 . 17023 1 296 . 1 1 34 34 VAL HG22 H 1 1.020 0.005 . 2 . . . . 34 VAL HG22 . 17023 1 297 . 1 1 34 34 VAL HG23 H 1 1.020 0.005 . 2 . . . . 34 VAL HG23 . 17023 1 298 . 1 1 34 34 VAL C C 13 178.931 0.015 . 1 . . . . 34 VAL C . 17023 1 299 . 1 1 34 34 VAL CA C 13 66.659 0.062 . 1 . . . . 34 VAL CA . 17023 1 300 . 1 1 34 34 VAL CB C 13 32.315 0.055 . 1 . . . . 34 VAL CB . 17023 1 301 . 1 1 34 34 VAL CG1 C 13 21.641 0.551 . 2 . . . . 34 VAL CG1 . 17023 1 302 . 1 1 34 34 VAL CG2 C 13 22.573 0.062 . 2 . . . . 34 VAL CG2 . 17023 1 303 . 1 1 34 34 VAL N N 15 124.072 0.392 . 1 . . . . 34 VAL N . 17023 1 304 . 1 1 35 35 CYS H H 1 9.091 0.032 . 1 . . . . 35 CYS H . 17023 1 305 . 1 1 35 35 CYS HA H 1 4.016 0.005 . 1 . . . . 35 CYS HA . 17023 1 306 . 1 1 35 35 CYS HB2 H 1 2.990 0.010 . 2 . . . . 35 CYS HB2 . 17023 1 307 . 1 1 35 35 CYS HB3 H 1 3.014 0.016 . 2 . . . . 35 CYS HB3 . 17023 1 308 . 1 1 35 35 CYS C C 13 178.934 0.150 . 1 . . . . 35 CYS C . 17023 1 309 . 1 1 35 35 CYS CA C 13 64.623 0.044 . 1 . . . . 35 CYS CA . 17023 1 310 . 1 1 35 35 CYS CB C 13 29.205 0.050 . 1 . . . . 35 CYS CB . 17023 1 311 . 1 1 35 35 CYS N N 15 125.387 0.317 . 1 . . . . 35 CYS N . 17023 1 312 . 1 1 36 36 TYR H H 1 9.171 0.032 . 1 . . . . 36 TYR H . 17023 1 313 . 1 1 36 36 TYR HA H 1 4.576 0.010 . 1 . . . . 36 TYR HA . 17023 1 314 . 1 1 36 36 TYR HB2 H 1 2.995 0.006 . 2 . . . . 36 TYR HB2 . 17023 1 315 . 1 1 36 36 TYR HB3 H 1 3.277 0.005 . 2 . . . . 36 TYR HB3 . 17023 1 316 . 1 1 36 36 TYR HD1 H 1 7.140 0.003 . 3 . . . . 36 TYR HD1 . 17023 1 317 . 1 1 36 36 TYR HD2 H 1 7.140 0.003 . 3 . . . . 36 TYR HD2 . 17023 1 318 . 1 1 36 36 TYR HE1 H 1 6.805 0.004 . 3 . . . . 36 TYR HE1 . 17023 1 319 . 1 1 36 36 TYR HE2 H 1 6.805 0.004 . 3 . . . . 36 TYR HE2 . 17023 1 320 . 1 1 36 36 TYR C C 13 176.990 0.003 . 1 . . . . 36 TYR C . 17023 1 321 . 1 1 36 36 TYR CA C 13 61.164 0.089 . 1 . . . . 36 TYR CA . 17023 1 322 . 1 1 36 36 TYR CB C 13 38.636 0.083 . 1 . . . . 36 TYR CB . 17023 1 323 . 1 1 36 36 TYR N N 15 121.288 0.360 . 1 . . . . 36 TYR N . 17023 1 324 . 1 1 37 37 LYS H H 1 7.719 0.029 . 1 . . . . 37 LYS H . 17023 1 325 . 1 1 37 37 LYS HA H 1 3.839 0.004 . 1 . . . . 37 LYS HA . 17023 1 326 . 1 1 37 37 LYS HB2 H 1 2.030 0.010 . 1 . . . . 37 LYS HB2 . 17023 1 327 . 1 1 37 37 LYS HD2 H 1 1.677 0.005 . 2 . . . . 37 LYS HD2 . 17023 1 328 . 1 1 37 37 LYS HD3 H 1 1.734 0.010 . 2 . . . . 37 LYS HD3 . 17023 1 329 . 1 1 37 37 LYS HE2 H 1 3.012 0.014 . 1 . . . . 37 LYS HE2 . 17023 1 330 . 1 1 37 37 LYS HG2 H 1 1.459 0.006 . 1 . . . . 37 LYS HG2 . 17023 1 331 . 1 1 37 37 LYS C C 13 179.437 0.044 . 1 . . . . 37 LYS C . 17023 1 332 . 1 1 37 37 LYS CA C 13 59.957 0.056 . 1 . . . . 37 LYS CA . 17023 1 333 . 1 1 37 37 LYS CB C 13 32.204 0.157 . 1 . . . . 37 LYS CB . 17023 1 334 . 1 1 37 37 LYS CD C 13 25.292 0.030 . 1 . . . . 37 LYS CD . 17023 1 335 . 1 1 37 37 LYS CE C 13 42.151 0.023 . 1 . . . . 37 LYS CE . 17023 1 336 . 1 1 37 37 LYS CG C 13 25.271 0.016 . 1 . . . . 37 LYS CG . 17023 1 337 . 1 1 37 37 LYS N N 15 118.479 0.312 . 1 . . . . 37 LYS N . 17023 1 338 . 1 1 38 38 GLU H H 1 7.691 0.027 . 1 . . . . 38 GLU H . 17023 1 339 . 1 1 38 38 GLU HA H 1 4.059 0.003 . 1 . . . . 38 GLU HA . 17023 1 340 . 1 1 38 38 GLU HB2 H 1 2.143 0.006 . 1 . . . . 38 GLU HB2 . 17023 1 341 . 1 1 38 38 GLU HG2 H 1 2.267 0.010 . 2 . . . . 38 GLU HG2 . 17023 1 342 . 1 1 38 38 GLU HG3 H 1 2.439 0.007 . 2 . . . . 38 GLU HG3 . 17023 1 343 . 1 1 38 38 GLU C C 13 178.622 0.015 . 1 . . . . 38 GLU C . 17023 1 344 . 1 1 38 38 GLU CA C 13 59.533 0.168 . 1 . . . . 38 GLU CA . 17023 1 345 . 1 1 38 38 GLU CB C 13 29.241 0.050 . 1 . . . . 38 GLU CB . 17023 1 346 . 1 1 38 38 GLU CG C 13 36.295 0.076 . 1 . . . . 38 GLU CG . 17023 1 347 . 1 1 38 38 GLU N N 15 118.991 0.293 . 1 . . . . 38 GLU N . 17023 1 348 . 1 1 39 39 HIS H H 1 8.318 0.026 . 1 . . . . 39 HIS H . 17023 1 349 . 1 1 39 39 HIS HA H 1 4.242 0.019 . 1 . . . . 39 HIS HA . 17023 1 350 . 1 1 39 39 HIS HB2 H 1 3.073 0.004 . 2 . . . . 39 HIS HB2 . 17023 1 351 . 1 1 39 39 HIS HB3 H 1 3.447 0.009 . 2 . . . . 39 HIS HB3 . 17023 1 352 . 1 1 39 39 HIS HD2 H 1 6.696 0.006 . 1 . . . . 39 HIS HD2 . 17023 1 353 . 1 1 39 39 HIS HE1 H 1 7.691 0.013 . 1 . . . . 39 HIS HE1 . 17023 1 354 . 1 1 39 39 HIS C C 13 177.918 0.132 . 1 . . . . 39 HIS C . 17023 1 355 . 1 1 39 39 HIS CA C 13 59.904 0.056 . 1 . . . . 39 HIS CA . 17023 1 356 . 1 1 39 39 HIS CB C 13 30.486 0.091 . 1 . . . . 39 HIS CB . 17023 1 357 . 1 1 39 39 HIS N N 15 121.172 0.318 . 1 . . . . 39 HIS N . 17023 1 358 . 1 1 40 40 LEU H H 1 8.228 0.026 . 1 . . . . 40 LEU H . 17023 1 359 . 1 1 40 40 LEU HA H 1 3.718 0.004 . 1 . . . . 40 LEU HA . 17023 1 360 . 1 1 40 40 LEU HB2 H 1 1.303 0.006 . 2 . . . . 40 LEU HB2 . 17023 1 361 . 1 1 40 40 LEU HB3 H 1 1.611 0.006 . 2 . . . . 40 LEU HB3 . 17023 1 362 . 1 1 40 40 LEU HD11 H 1 0.627 0.004 . 2 . . . . 40 LEU HD11 . 17023 1 363 . 1 1 40 40 LEU HD12 H 1 0.627 0.004 . 2 . . . . 40 LEU HD12 . 17023 1 364 . 1 1 40 40 LEU HD13 H 1 0.627 0.004 . 2 . . . . 40 LEU HD13 . 17023 1 365 . 1 1 40 40 LEU HD21 H 1 0.664 0.005 . 2 . . . . 40 LEU HD21 . 17023 1 366 . 1 1 40 40 LEU HD22 H 1 0.664 0.005 . 2 . . . . 40 LEU HD22 . 17023 1 367 . 1 1 40 40 LEU HD23 H 1 0.664 0.005 . 2 . . . . 40 LEU HD23 . 17023 1 368 . 1 1 40 40 LEU HG H 1 1.224 0.007 . 1 . . . . 40 LEU HG . 17023 1 369 . 1 1 40 40 LEU C C 13 180.023 0.003 . 1 . . . . 40 LEU C . 17023 1 370 . 1 1 40 40 LEU CA C 13 57.473 0.111 . 1 . . . . 40 LEU CA . 17023 1 371 . 1 1 40 40 LEU CB C 13 41.760 0.070 . 1 . . . . 40 LEU CB . 17023 1 372 . 1 1 40 40 LEU CD1 C 13 25.257 0.019 . 2 . . . . 40 LEU CD1 . 17023 1 373 . 1 1 40 40 LEU CD2 C 13 22.426 0.022 . 2 . . . . 40 LEU CD2 . 17023 1 374 . 1 1 40 40 LEU CG C 13 26.185 0.126 . 1 . . . . 40 LEU CG . 17023 1 375 . 1 1 40 40 LEU N N 15 119.274 0.338 . 1 . . . . 40 LEU N . 17023 1 376 . 1 1 41 41 GLN H H 1 7.785 0.025 . 1 . . . . 41 GLN H . 17023 1 377 . 1 1 41 41 GLN HA H 1 4.026 0.006 . 1 . . . . 41 GLN HA . 17023 1 378 . 1 1 41 41 GLN HB2 H 1 2.161 0.003 . 1 . . . . 41 GLN HB2 . 17023 1 379 . 1 1 41 41 GLN HE21 H 1 6.848 0.004 . 1 . . . . 41 GLN HE21 . 17023 1 380 . 1 1 41 41 GLN HE22 H 1 7.400 0.007 . 1 . . . . 41 GLN HE22 . 17023 1 381 . 1 1 41 41 GLN HG2 H 1 2.386 0.004 . 2 . . . . 41 GLN HG2 . 17023 1 382 . 1 1 41 41 GLN HG3 H 1 2.476 0.002 . 2 . . . . 41 GLN HG3 . 17023 1 383 . 1 1 41 41 GLN C C 13 178.137 0.009 . 1 . . . . 41 GLN C . 17023 1 384 . 1 1 41 41 GLN CA C 13 58.213 0.112 . 1 . . . . 41 GLN CA . 17023 1 385 . 1 1 41 41 GLN CB C 13 28.444 0.056 . 1 . . . . 41 GLN CB . 17023 1 386 . 1 1 41 41 GLN CD C 13 180.335 0.016 . 1 . . . . 41 GLN CD . 17023 1 387 . 1 1 41 41 GLN CG C 13 33.822 0.082 . 1 . . . . 41 GLN CG . 17023 1 388 . 1 1 41 41 GLN N N 15 118.290 0.312 . 1 . . . . 41 GLN N . 17023 1 389 . 1 1 41 41 GLN NE2 N 15 111.634 0.150 . 1 . . . . 41 GLN NE2 . 17023 1 390 . 1 1 42 42 ARG H H 1 7.869 0.031 . 1 . . . . 42 ARG H . 17023 1 391 . 1 1 42 42 ARG HA H 1 4.123 0.010 . 1 . . . . 42 ARG HA . 17023 1 392 . 1 1 42 42 ARG HB2 H 1 1.884 0.006 . 1 . . . . 42 ARG HB2 . 17023 1 393 . 1 1 42 42 ARG HD2 H 1 3.181 0.008 . 2 . . . . 42 ARG HD2 . 17023 1 394 . 1 1 42 42 ARG HD3 H 1 3.243 0.020 . 2 . . . . 42 ARG HD3 . 17023 1 395 . 1 1 42 42 ARG HG2 H 1 1.619 0.005 . 2 . . . . 42 ARG HG2 . 17023 1 396 . 1 1 42 42 ARG HG3 H 1 1.797 0.014 . 2 . . . . 42 ARG HG3 . 17023 1 397 . 1 1 42 42 ARG C C 13 178.372 0.010 . 1 . . . . 42 ARG C . 17023 1 398 . 1 1 42 42 ARG CA C 13 58.284 0.101 . 1 . . . . 42 ARG CA . 17023 1 399 . 1 1 42 42 ARG CB C 13 30.233 0.086 . 1 . . . . 42 ARG CB . 17023 1 400 . 1 1 42 42 ARG CD C 13 43.357 0.069 . 1 . . . . 42 ARG CD . 17023 1 401 . 1 1 42 42 ARG CG C 13 27.865 0.012 . 1 . . . . 42 ARG CG . 17023 1 402 . 1 1 42 42 ARG N N 15 119.057 0.352 . 1 . . . . 42 ARG N . 17023 1 403 . 1 1 43 43 GLN H H 1 7.829 0.030 . 1 . . . . 43 GLN H . 17023 1 404 . 1 1 43 43 GLN HA H 1 4.087 0.005 . 1 . . . . 43 GLN HA . 17023 1 405 . 1 1 43 43 GLN HB2 H 1 1.947 0.007 . 2 . . . . 43 GLN HB2 . 17023 1 406 . 1 1 43 43 GLN HB3 H 1 2.050 0.010 . 2 . . . . 43 GLN HB3 . 17023 1 407 . 1 1 43 43 GLN HE21 H 1 6.777 0.006 . 1 . . . . 43 GLN HE21 . 17023 1 408 . 1 1 43 43 GLN HE22 H 1 7.140 0.003 . 1 . . . . 43 GLN HE22 . 17023 1 409 . 1 1 43 43 GLN HG2 H 1 2.194 0.004 . 1 . . . . 43 GLN HG2 . 17023 1 410 . 1 1 43 43 GLN C C 13 177.450 0.027 . 1 . . . . 43 GLN C . 17023 1 411 . 1 1 43 43 GLN CA C 13 56.974 0.154 . 1 . . . . 43 GLN CA . 17023 1 412 . 1 1 43 43 GLN CB C 13 28.781 0.046 . 1 . . . . 43 GLN CB . 17023 1 413 . 1 1 43 43 GLN CG C 13 33.673 0.031 . 1 . . . . 43 GLN CG . 17023 1 414 . 1 1 43 43 GLN N N 15 118.107 0.338 . 1 . . . . 43 GLN N . 17023 1 415 . 1 1 43 43 GLN NE2 N 15 111.808 0.184 . 1 . . . . 43 GLN NE2 . 17023 1 416 . 1 1 44 44 GLN H H 1 7.954 0.043 . 1 . . . . 44 GLN H . 17023 1 417 . 1 1 44 44 GLN HA H 1 4.214 0.013 . 1 . . . . 44 GLN HA . 17023 1 418 . 1 1 44 44 GLN HB2 H 1 2.074 0.020 . 1 . . . . 44 GLN HB2 . 17023 1 419 . 1 1 44 44 GLN HE21 H 1 6.817 0.004 . 1 . . . . 44 GLN HE21 . 17023 1 420 . 1 1 44 44 GLN HE22 H 1 7.435 0.005 . 1 . . . . 44 GLN HE22 . 17023 1 421 . 1 1 44 44 GLN HG2 H 1 2.414 0.002 . 1 . . . . 44 GLN HG2 . 17023 1 422 . 1 1 44 44 GLN C C 13 176.723 0.020 . 1 . . . . 44 GLN C . 17023 1 423 . 1 1 44 44 GLN CA C 13 56.956 0.026 . 1 . . . . 44 GLN CA . 17023 1 424 . 1 1 44 44 GLN CB C 13 28.788 0.017 . 1 . . . . 44 GLN CB . 17023 1 425 . 1 1 44 44 GLN CG C 13 33.801 0.171 . 1 . . . . 44 GLN CG . 17023 1 426 . 1 1 44 44 GLN N N 15 118.974 0.442 . 1 . . . . 44 GLN N . 17023 1 427 . 1 1 44 44 GLN NE2 N 15 111.634 0.045 . 1 . . . . 44 GLN NE2 . 17023 1 428 . 1 1 45 45 ASN H H 1 8.151 0.045 . 1 . . . . 45 ASN H . 17023 1 429 . 1 1 45 45 ASN HA H 1 4.722 0.020 . 1 . . . . 45 ASN HA . 17023 1 430 . 1 1 45 45 ASN HB2 H 1 2.771 0.020 . 2 . . . . 45 ASN HB2 . 17023 1 431 . 1 1 45 45 ASN HB3 H 1 2.852 0.011 . 2 . . . . 45 ASN HB3 . 17023 1 432 . 1 1 45 45 ASN HD21 H 1 6.904 0.004 . 1 . . . . 45 ASN HD21 . 17023 1 433 . 1 1 45 45 ASN HD22 H 1 7.596 0.008 . 1 . . . . 45 ASN HD22 . 17023 1 434 . 1 1 45 45 ASN C C 13 175.776 0.150 . 1 . . . . 45 ASN C . 17023 1 435 . 1 1 45 45 ASN CA C 13 53.582 0.130 . 1 . . . . 45 ASN CA . 17023 1 436 . 1 1 45 45 ASN CB C 13 38.803 0.079 . 1 . . . . 45 ASN CB . 17023 1 437 . 1 1 45 45 ASN N N 15 118.277 0.480 . 1 . . . . 45 ASN N . 17023 1 438 . 1 1 45 45 ASN ND2 N 15 112.568 0.149 . 1 . . . . 45 ASN ND2 . 17023 1 439 . 1 1 46 46 SER H H 1 8.128 0.004 . 1 . . . . 46 SER H . 17023 1 440 . 1 1 46 46 SER HA H 1 4.400 0.020 . 1 . . . . 46 SER HA . 17023 1 441 . 1 1 46 46 SER HB2 H 1 3.935 0.020 . 1 . . . . 46 SER HB2 . 17023 1 442 . 1 1 46 46 SER C C 13 175.217 0.150 . 1 . . . . 46 SER C . 17023 1 443 . 1 1 46 46 SER CA C 13 59.415 0.105 . 1 . . . . 46 SER CA . 17023 1 444 . 1 1 46 46 SER CB C 13 63.871 0.015 . 1 . . . . 46 SER CB . 17023 1 445 . 1 1 46 46 SER N N 15 115.552 0.027 . 1 . . . . 46 SER N . 17023 1 446 . 1 1 47 47 GLY H H 1 8.316 0.042 . 1 . . . . 47 GLY H . 17023 1 447 . 1 1 47 47 GLY HA2 H 1 4.013 0.005 . 1 . . . . 47 GLY HA2 . 17023 1 448 . 1 1 47 47 GLY C C 13 174.237 0.011 . 1 . . . . 47 GLY C . 17023 1 449 . 1 1 47 47 GLY CA C 13 45.524 0.058 . 1 . . . . 47 GLY CA . 17023 1 450 . 1 1 47 47 GLY N N 15 110.274 0.417 . 1 . . . . 47 GLY N . 17023 1 451 . 1 1 48 48 ARG H H 1 7.959 0.051 . 1 . . . . 48 ARG H . 17023 1 452 . 1 1 48 48 ARG HA H 1 4.347 0.002 . 1 . . . . 48 ARG HA . 17023 1 453 . 1 1 48 48 ARG HB2 H 1 1.869 0.020 . 1 . . . . 48 ARG HB2 . 17023 1 454 . 1 1 48 48 ARG C C 13 176.280 0.040 . 1 . . . . 48 ARG C . 17023 1 455 . 1 1 48 48 ARG CA C 13 56.241 0.079 . 1 . . . . 48 ARG CA . 17023 1 456 . 1 1 48 48 ARG CB C 13 30.669 0.025 . 1 . . . . 48 ARG CB . 17023 1 457 . 1 1 48 48 ARG N N 15 120.094 0.509 . 1 . . . . 48 ARG N . 17023 1 458 . 1 1 49 49 MET H H 1 8.333 0.044 . 1 . . . . 49 MET H . 17023 1 459 . 1 1 49 49 MET HA H 1 4.516 0.002 . 1 . . . . 49 MET HA . 17023 1 460 . 1 1 49 49 MET HB2 H 1 2.016 0.002 . 2 . . . . 49 MET HB2 . 17023 1 461 . 1 1 49 49 MET HB3 H 1 2.110 0.001 . 2 . . . . 49 MET HB3 . 17023 1 462 . 1 1 49 49 MET HG2 H 1 2.558 0.008 . 2 . . . . 49 MET HG2 . 17023 1 463 . 1 1 49 49 MET HG3 H 1 2.624 0.001 . 2 . . . . 49 MET HG3 . 17023 1 464 . 1 1 49 49 MET C C 13 175.997 0.029 . 1 . . . . 49 MET C . 17023 1 465 . 1 1 49 49 MET CA C 13 55.346 0.013 . 1 . . . . 49 MET CA . 17023 1 466 . 1 1 49 49 MET CB C 13 33.007 0.071 . 1 . . . . 49 MET CB . 17023 1 467 . 1 1 49 49 MET CG C 13 32.065 0.150 . 1 . . . . 49 MET CG . 17023 1 468 . 1 1 49 49 MET N N 15 121.096 0.450 . 1 . . . . 49 MET N . 17023 1 469 . 1 1 50 50 SER H H 1 8.301 0.039 . 1 . . . . 50 SER H . 17023 1 470 . 1 1 50 50 SER HB2 H 1 3.878 0.020 . 1 . . . . 50 SER HB2 . 17023 1 471 . 1 1 50 50 SER C C 13 172.887 0.150 . 1 . . . . 50 SER C . 17023 1 472 . 1 1 50 50 SER CA C 13 56.527 0.150 . 1 . . . . 50 SER CA . 17023 1 473 . 1 1 50 50 SER CB C 13 63.557 0.006 . 1 . . . . 50 SER CB . 17023 1 474 . 1 1 50 50 SER N N 15 118.459 0.402 . 1 . . . . 50 SER N . 17023 1 475 . 1 1 51 51 PRO C C 13 177.137 0.150 . 1 . . . . 51 PRO C . 17023 1 476 . 1 1 51 51 PRO CA C 13 63.470 0.032 . 1 . . . . 51 PRO CA . 17023 1 477 . 1 1 51 51 PRO CB C 13 31.768 0.150 . 1 . . . . 51 PRO CB . 17023 1 478 . 1 1 52 52 MET H H 1 8.369 0.048 . 1 . . . . 52 MET H . 17023 1 479 . 1 1 52 52 MET C C 13 176.900 0.010 . 1 . . . . 52 MET C . 17023 1 480 . 1 1 52 52 MET CA C 13 55.890 0.103 . 1 . . . . 52 MET CA . 17023 1 481 . 1 1 52 52 MET CB C 13 32.576 0.136 . 1 . . . . 52 MET CB . 17023 1 482 . 1 1 52 52 MET N N 15 119.912 0.537 . 1 . . . . 52 MET N . 17023 1 483 . 1 1 53 53 GLY H H 1 8.358 0.044 . 1 . . . . 53 GLY H . 17023 1 484 . 1 1 53 53 GLY HA2 H 1 4.020 0.003 . 1 . . . . 53 GLY HA2 . 17023 1 485 . 1 1 53 53 GLY C C 13 174.333 0.033 . 1 . . . . 53 GLY C . 17023 1 486 . 1 1 53 53 GLY CA C 13 45.377 0.036 . 1 . . . . 53 GLY CA . 17023 1 487 . 1 1 53 53 GLY N N 15 110.105 0.424 . 1 . . . . 53 GLY N . 17023 1 488 . 1 1 54 54 THR H H 1 8.038 0.040 . 1 . . . . 54 THR H . 17023 1 489 . 1 1 54 54 THR HA H 1 4.356 0.008 . 1 . . . . 54 THR HA . 17023 1 490 . 1 1 54 54 THR HB H 1 4.250 0.020 . 1 . . . . 54 THR HB . 17023 1 491 . 1 1 54 54 THR HG21 H 1 1.216 0.020 . 1 . . . . 54 THR HG21 . 17023 1 492 . 1 1 54 54 THR HG22 H 1 1.216 0.020 . 1 . . . . 54 THR HG22 . 17023 1 493 . 1 1 54 54 THR HG23 H 1 1.216 0.020 . 1 . . . . 54 THR HG23 . 17023 1 494 . 1 1 54 54 THR C C 13 174.615 0.150 . 1 . . . . 54 THR C . 17023 1 495 . 1 1 54 54 THR CA C 13 61.845 0.008 . 1 . . . . 54 THR CA . 17023 1 496 . 1 1 54 54 THR CB C 13 70.066 0.048 . 1 . . . . 54 THR CB . 17023 1 497 . 1 1 54 54 THR CG2 C 13 21.558 0.150 . 1 . . . . 54 THR CG2 . 17023 1 498 . 1 1 54 54 THR N N 15 113.550 0.476 . 1 . . . . 54 THR N . 17023 1 499 . 1 1 55 55 ALA H H 1 8.406 0.037 . 1 . . . . 55 ALA H . 17023 1 500 . 1 1 55 55 ALA HA H 1 4.402 0.020 . 1 . . . . 55 ALA HA . 17023 1 501 . 1 1 55 55 ALA HB1 H 1 1.423 0.020 . 1 . . . . 55 ALA HB1 . 17023 1 502 . 1 1 55 55 ALA HB2 H 1 1.423 0.020 . 1 . . . . 55 ALA HB2 . 17023 1 503 . 1 1 55 55 ALA HB3 H 1 1.423 0.020 . 1 . . . . 55 ALA HB3 . 17023 1 504 . 1 1 55 55 ALA C C 13 177.794 0.001 . 1 . . . . 55 ALA C . 17023 1 505 . 1 1 55 55 ALA CA C 13 52.735 0.056 . 1 . . . . 55 ALA CA . 17023 1 506 . 1 1 55 55 ALA CB C 13 19.142 0.039 . 1 . . . . 55 ALA CB . 17023 1 507 . 1 1 55 55 ALA N N 15 126.617 0.413 . 1 . . . . 55 ALA N . 17023 1 508 . 1 1 56 56 SER H H 1 8.317 0.007 . 1 . . . . 56 SER H . 17023 1 509 . 1 1 56 56 SER HA H 1 4.453 0.020 . 1 . . . . 56 SER HA . 17023 1 510 . 1 1 56 56 SER HB2 H 1 3.879 0.020 . 1 . . . . 56 SER HB2 . 17023 1 511 . 1 1 56 56 SER C C 13 175.228 0.150 . 1 . . . . 56 SER C . 17023 1 512 . 1 1 56 56 SER CA C 13 58.493 0.025 . 1 . . . . 56 SER CA . 17023 1 513 . 1 1 56 56 SER CB C 13 63.812 0.131 . 1 . . . . 56 SER CB . 17023 1 514 . 1 1 56 56 SER N N 15 115.265 0.036 . 1 . . . . 56 SER N . 17023 1 515 . 1 1 57 57 GLY H H 1 8.404 0.003 . 1 . . . . 57 GLY H . 17023 1 516 . 1 1 57 57 GLY CA C 13 45.390 0.053 . 1 . . . . 57 GLY CA . 17023 1 517 . 1 1 57 57 GLY N N 15 110.922 0.045 . 1 . . . . 57 GLY N . 17023 1 518 . 1 1 58 58 SER H H 1 8.232 0.005 . 1 . . . . 58 SER H . 17023 1 519 . 1 1 58 58 SER CA C 13 58.323 0.150 . 1 . . . . 58 SER CA . 17023 1 520 . 1 1 58 58 SER CB C 13 63.904 0.150 . 1 . . . . 58 SER CB . 17023 1 521 . 1 1 58 58 SER N N 15 115.531 0.040 . 1 . . . . 58 SER N . 17023 1 522 . 1 1 59 59 ASN H H 1 8.476 0.034 . 1 . . . . 59 ASN H . 17023 1 523 . 1 1 59 59 ASN HD21 H 1 6.907 0.002 . 1 . . . . 59 ASN HD21 . 17023 1 524 . 1 1 59 59 ASN HD22 H 1 7.582 0.003 . 1 . . . . 59 ASN HD22 . 17023 1 525 . 1 1 59 59 ASN C C 13 174.878 0.150 . 1 . . . . 59 ASN C . 17023 1 526 . 1 1 59 59 ASN CA C 13 53.373 0.087 . 1 . . . . 59 ASN CA . 17023 1 527 . 1 1 59 59 ASN CB C 13 39.059 0.028 . 1 . . . . 59 ASN CB . 17023 1 528 . 1 1 59 59 ASN N N 15 120.644 0.336 . 1 . . . . 59 ASN N . 17023 1 529 . 1 1 59 59 ASN ND2 N 15 112.726 0.157 . 1 . . . . 59 ASN ND2 . 17023 1 530 . 1 1 60 60 SER H H 1 8.194 0.041 . 1 . . . . 60 SER H . 17023 1 531 . 1 1 60 60 SER C C 13 172.684 0.150 . 1 . . . . 60 SER C . 17023 1 532 . 1 1 60 60 SER CA C 13 56.391 0.150 . 1 . . . . 60 SER CA . 17023 1 533 . 1 1 60 60 SER CB C 13 63.485 0.150 . 1 . . . . 60 SER CB . 17023 1 534 . 1 1 60 60 SER N N 15 117.251 0.481 . 1 . . . . 60 SER N . 17023 1 535 . 1 1 61 61 PRO C C 13 176.426 0.016 . 1 . . . . 61 PRO C . 17023 1 536 . 1 1 61 61 PRO CA C 13 63.793 0.150 . 1 . . . . 61 PRO CA . 17023 1 537 . 1 1 61 61 PRO CB C 13 31.993 0.007 . 1 . . . . 61 PRO CB . 17023 1 538 . 1 1 62 62 THR H H 1 7.763 0.037 . 1 . . . . 62 THR H . 17023 1 539 . 1 1 62 62 THR HA H 1 4.146 0.002 . 1 . . . . 62 THR HA . 17023 1 540 . 1 1 62 62 THR HB H 1 4.231 0.003 . 1 . . . . 62 THR HB . 17023 1 541 . 1 1 62 62 THR HG21 H 1 1.178 0.003 . 1 . . . . 62 THR HG21 . 17023 1 542 . 1 1 62 62 THR HG22 H 1 1.178 0.003 . 1 . . . . 62 THR HG22 . 17023 1 543 . 1 1 62 62 THR HG23 H 1 1.178 0.003 . 1 . . . . 62 THR HG23 . 17023 1 544 . 1 1 62 62 THR C C 13 179.327 0.000 . 1 . . . . 62 THR C . 17023 1 545 . 1 1 62 62 THR CA C 13 63.339 0.029 . 1 . . . . 62 THR CA . 17023 1 546 . 1 1 62 62 THR CB C 13 71.050 0.072 . 1 . . . . 62 THR CB . 17023 1 547 . 1 1 62 62 THR CG2 C 13 22.060 0.150 . 1 . . . . 62 THR CG2 . 17023 1 548 . 1 1 62 62 THR N N 15 119.132 0.442 . 1 . . . . 62 THR N . 17023 1 stop_ save_