################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 36171 _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _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' 1 $sample_1 isotropic 36171 1 2 '2D 1H-15N HSQC' 1 $sample_1 isotropic 36171 1 3 '3D HNHA' 1 $sample_1 isotropic 36171 1 4 '3D HNHB' 1 $sample_1 isotropic 36171 1 5 '3D HCCH-TOCSY' 1 $sample_1 isotropic 36171 1 6 '3D CBCA(CO)NH' 1 $sample_1 isotropic 36171 1 7 '3D HNCACB' 1 $sample_1 isotropic 36171 1 8 '3D HNCO' 1 $sample_1 isotropic 36171 1 9 '3D 1H-13C NOESY' 1 $sample_1 isotropic 36171 1 10 '3D 1H-15N NOESY' 1 $sample_1 isotropic 36171 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.Ambiguity_set_ID _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 ASN HD21 H 1 7.653 0.000 . . . . . . A 1 ASN HD21 . 36171 1 2 . 1 1 1 1 ASN HD22 H 1 6.957 0.049 . . . . . . A 1 ASN HD22 . 36171 1 3 . 1 1 1 1 ASN C C 13 171.536 0.000 . . . . . . A 1 ASN C . 36171 1 4 . 1 1 1 1 ASN CG C 13 175.564 0.000 . . . . . . A 1 ASN CG . 36171 1 5 . 1 1 1 1 ASN ND2 N 15 112.239 0.397 . . . . . . A 1 ASN ND2 . 36171 1 6 . 1 1 2 2 ARG H H 1 8.677 0.007 . . . . . . A 2 ARG H . 36171 1 7 . 1 1 2 2 ARG HA H 1 4.429 0.017 . . . . . . A 2 ARG HA . 36171 1 8 . 1 1 2 2 ARG HB2 H 1 1.864 0.017 . . . . . . A 2 ARG HB2 . 36171 1 9 . 1 1 2 2 ARG HG2 H 1 1.848 0.017 . . . . . . A 2 ARG HG2 . 36171 1 10 . 1 1 2 2 ARG HD2 H 1 3.213 0.008 . . . . . . A 2 ARG HD2 . 36171 1 11 . 1 1 2 2 ARG HE H 1 7.205 0.002 . . . . . . A 2 ARG HE . 36171 1 12 . 1 1 2 2 ARG C C 13 175.645 0.000 . . . . . . A 2 ARG C . 36171 1 13 . 1 1 2 2 ARG CA C 13 56.067 0.064 . . . . . . A 2 ARG CA . 36171 1 14 . 1 1 2 2 ARG CB C 13 31.093 0.085 . . . . . . A 2 ARG CB . 36171 1 15 . 1 1 2 2 ARG CG C 13 26.813 0.088 . . . . . . A 2 ARG CG . 36171 1 16 . 1 1 2 2 ARG CD C 13 43.434 0.036 . . . . . . A 2 ARG CD . 36171 1 17 . 1 1 2 2 ARG N N 15 121.532 0.023 . . . . . . A 2 ARG N . 36171 1 18 . 1 1 2 2 ARG NE N 15 120.782 0.032 . . . . . . A 2 ARG NE . 36171 1 19 . 1 1 3 3 LEU H H 1 8.241 0.019 . . . . . . A 3 LEU H . 36171 1 20 . 1 1 3 3 LEU HA H 1 4.215 0.012 . . . . . . A 3 LEU HA . 36171 1 21 . 1 1 3 3 LEU HB3 H 1 1.463 0.012 . . . . . . A 3 LEU HB3 . 36171 1 22 . 1 1 3 3 LEU HG H 1 1.614 0.002 . . . . . . A 3 LEU HG . 36171 1 23 . 1 1 3 3 LEU HD11 H 1 0.902 0.012 . . . . . . A 3 LEU HD11 . 36171 1 24 . 1 1 3 3 LEU HD12 H 1 0.902 0.012 . . . . . . A 3 LEU HD12 . 36171 1 25 . 1 1 3 3 LEU HD13 H 1 0.902 0.012 . . . . . . A 3 LEU HD13 . 36171 1 26 . 1 1 3 3 LEU HD21 H 1 0.852 0.003 . . . . . . A 3 LEU HD21 . 36171 1 27 . 1 1 3 3 LEU HD22 H 1 0.852 0.003 . . . . . . A 3 LEU HD22 . 36171 1 28 . 1 1 3 3 LEU HD23 H 1 0.852 0.003 . . . . . . A 3 LEU HD23 . 36171 1 29 . 1 1 3 3 LEU C C 13 175.268 0.000 . . . . . . A 3 LEU C . 36171 1 30 . 1 1 3 3 LEU CA C 13 55.245 0.036 . . . . . . A 3 LEU CA . 36171 1 31 . 1 1 3 3 LEU CB C 13 43.297 0.073 . . . . . . A 3 LEU CB . 36171 1 32 . 1 1 3 3 LEU CG C 13 26.991 0.044 . . . . . . A 3 LEU CG . 36171 1 33 . 1 1 3 3 LEU CD1 C 13 24.161 0.101 . . . . . . A 3 LEU CD1 . 36171 1 34 . 1 1 3 3 LEU CD2 C 13 24.733 0.014 . . . . . . A 3 LEU CD2 . 36171 1 35 . 1 1 3 3 LEU N N 15 124.802 0.063 . . . . . . A 3 LEU N . 36171 1 36 . 1 1 4 4 CYS H H 1 8.630 0.016 . . . . . . A 4 CYS H . 36171 1 37 . 1 1 4 4 CYS HA H 1 4.984 0.007 . . . . . . A 4 CYS HA . 36171 1 38 . 1 1 4 4 CYS C C 13 173.527 0.000 . . . . . . A 4 CYS C . 36171 1 39 . 1 1 4 4 CYS CA C 13 55.475 0.029 . . . . . . A 4 CYS CA . 36171 1 40 . 1 1 4 4 CYS CB C 13 42.430 0.000 . . . . . . A 4 CYS CB . 36171 1 41 . 1 1 4 4 CYS N N 15 125.664 0.106 . . . . . . A 4 CYS N . 36171 1 42 . 1 1 5 5 THR H H 1 9.132 0.012 . . . . . . A 5 THR H . 36171 1 43 . 1 1 5 5 THR HA H 1 4.486 0.004 . . . . . . A 5 THR HA . 36171 1 44 . 1 1 5 5 THR HB H 1 3.918 0.006 . . . . . . A 5 THR HB . 36171 1 45 . 1 1 5 5 THR HG21 H 1 0.614 0.005 . . . . . . A 5 THR HG21 . 36171 1 46 . 1 1 5 5 THR HG22 H 1 0.614 0.005 . . . . . . A 5 THR HG22 . 36171 1 47 . 1 1 5 5 THR HG23 H 1 0.614 0.005 . . . . . . A 5 THR HG23 . 36171 1 48 . 1 1 5 5 THR C C 13 171.832 0.000 . . . . . . A 5 THR C . 36171 1 49 . 1 1 5 5 THR CA C 13 60.165 0.049 . . . . . . A 5 THR CA . 36171 1 50 . 1 1 5 5 THR CB C 13 68.146 0.061 . . . . . . A 5 THR CB . 36171 1 51 . 1 1 5 5 THR CG2 C 13 18.369 0.081 . . . . . . A 5 THR CG2 . 36171 1 52 . 1 1 5 5 THR N N 15 121.611 0.060 . . . . . . A 5 THR N . 36171 1 53 . 1 1 6 6 ASN H H 1 8.396 0.012 . . . . . . A 6 ASN H . 36171 1 54 . 1 1 6 6 ASN HA H 1 4.497 0.006 . . . . . . A 6 ASN HA . 36171 1 55 . 1 1 6 6 ASN HB2 H 1 2.987 0.011 . . . . . . A 6 ASN HB2 . 36171 1 56 . 1 1 6 6 ASN HD21 H 1 7.287 0.016 . . . . . . A 6 ASN HD21 . 36171 1 57 . 1 1 6 6 ASN HD22 H 1 6.468 0.018 . . . . . . A 6 ASN HD22 . 36171 1 58 . 1 1 6 6 ASN C C 13 173.602 0.000 . . . . . . A 6 ASN C . 36171 1 59 . 1 1 6 6 ASN CA C 13 52.026 0.033 . . . . . . A 6 ASN CA . 36171 1 60 . 1 1 6 6 ASN CB C 13 40.563 0.025 . . . . . . A 6 ASN CB . 36171 1 61 . 1 1 6 6 ASN CG C 13 175.079 0.000 . . . . . . A 6 ASN CG . 36171 1 62 . 1 1 6 6 ASN N N 15 114.712 0.085 . . . . . . A 6 ASN N . 36171 1 63 . 1 1 6 6 ASN ND2 N 15 115.413 0.083 . . . . . . A 6 ASN ND2 . 36171 1 64 . 1 1 7 7 CYS H H 1 9.108 0.005 . . . . . . A 7 CYS H . 36171 1 65 . 1 1 7 7 CYS HA H 1 3.524 0.001 . . . . . . A 7 CYS HA . 36171 1 66 . 1 1 7 7 CYS HB2 H 1 2.754 0.001 . . . . . . A 7 CYS HB2 . 36171 1 67 . 1 1 7 7 CYS HB3 H 1 2.944 0.018 . . . . . . A 7 CYS HB3 . 36171 1 68 . 1 1 7 7 CYS C C 13 174.353 0.000 . . . . . . A 7 CYS C . 36171 1 69 . 1 1 7 7 CYS CA C 13 60.226 0.088 . . . . . . A 7 CYS CA . 36171 1 70 . 1 1 7 7 CYS CB C 13 41.001 0.084 . . . . . . A 7 CYS CB . 36171 1 71 . 1 1 7 7 CYS N N 15 116.880 0.043 . . . . . . A 7 CYS N . 36171 1 72 . 1 1 8 8 CYS H H 1 7.676 0.013 . . . . . . A 8 CYS H . 36171 1 73 . 1 1 8 8 CYS HA H 1 4.081 0.020 . . . . . . A 8 CYS HA . 36171 1 74 . 1 1 8 8 CYS HB2 H 1 3.585 0.000 . . . . . . A 8 CYS HB2 . 36171 1 75 . 1 1 8 8 CYS HB3 H 1 2.730 0.009 . . . . . . A 8 CYS HB3 . 36171 1 76 . 1 1 8 8 CYS C C 13 174.804 0.000 . . . . . . A 8 CYS C . 36171 1 77 . 1 1 8 8 CYS CA C 13 59.575 0.055 . . . . . . A 8 CYS CA . 36171 1 78 . 1 1 8 8 CYS CB C 13 34.052 0.024 . . . . . . A 8 CYS CB . 36171 1 79 . 1 1 8 8 CYS N N 15 117.570 0.037 . . . . . . A 8 CYS N . 36171 1 80 . 1 1 9 9 ALA H H 1 7.962 0.010 . . . . . . A 9 ALA H . 36171 1 81 . 1 1 9 9 ALA HA H 1 3.910 0.007 . . . . . . A 9 ALA HA . 36171 1 82 . 1 1 9 9 ALA HB1 H 1 1.133 0.008 . . . . . . A 9 ALA HB1 . 36171 1 83 . 1 1 9 9 ALA HB2 H 1 1.133 0.008 . . . . . . A 9 ALA HB2 . 36171 1 84 . 1 1 9 9 ALA HB3 H 1 1.133 0.008 . . . . . . A 9 ALA HB3 . 36171 1 85 . 1 1 9 9 ALA C C 13 178.750 0.000 . . . . . . A 9 ALA C . 36171 1 86 . 1 1 9 9 ALA CA C 13 52.607 0.065 . . . . . . A 9 ALA CA . 36171 1 87 . 1 1 9 9 ALA CB C 13 19.457 0.044 . . . . . . A 9 ALA CB . 36171 1 88 . 1 1 9 9 ALA N N 15 120.053 0.026 . . . . . . A 9 ALA N . 36171 1 89 . 1 1 10 10 GLY H H 1 8.032 0.009 . . . . . . A 10 GLY H . 36171 1 90 . 1 1 10 10 GLY HA2 H 1 3.167 0.005 . . . . . . A 10 GLY HA2 . 36171 1 91 . 1 1 10 10 GLY HA3 H 1 3.855 0.009 . . . . . . A 10 GLY HA3 . 36171 1 92 . 1 1 10 10 GLY C C 13 170.931 0.000 . . . . . . A 10 GLY C . 36171 1 93 . 1 1 10 10 GLY CA C 13 44.477 0.083 . . . . . . A 10 GLY CA . 36171 1 94 . 1 1 10 10 GLY N N 15 107.791 0.055 . . . . . . A 10 GLY N . 36171 1 95 . 1 1 11 11 ARG H H 1 8.190 0.011 . . . . . . A 11 ARG H . 36171 1 96 . 1 1 11 11 ARG HA H 1 4.434 0.002 . . . . . . A 11 ARG HA . 36171 1 97 . 1 1 11 11 ARG HB2 H 1 1.820 0.002 . . . . . . A 11 ARG HB2 . 36171 1 98 . 1 1 11 11 ARG HG2 H 1 1.769 0.006 . . . . . . A 11 ARG HG2 . 36171 1 99 . 1 1 11 11 ARG HD2 H 1 3.228 0.008 . . . . . . A 11 ARG HD2 . 36171 1 100 . 1 1 11 11 ARG HE H 1 7.251 0.001 . . . . . . A 11 ARG HE . 36171 1 101 . 1 1 11 11 ARG C C 13 176.810 0.000 . . . . . . A 11 ARG C . 36171 1 102 . 1 1 11 11 ARG CA C 13 56.112 0.087 . . . . . . A 11 ARG CA . 36171 1 103 . 1 1 11 11 ARG CB C 13 31.870 0.000 . . . . . . A 11 ARG CB . 36171 1 104 . 1 1 11 11 ARG CG C 13 27.431 0.067 . . . . . . A 11 ARG CG . 36171 1 105 . 1 1 11 11 ARG CD C 13 43.805 0.018 . . . . . . A 11 ARG CD . 36171 1 106 . 1 1 11 11 ARG N N 15 122.027 0.077 . . . . . . A 11 ARG N . 36171 1 107 . 1 1 11 11 ARG NE N 15 120.841 0.003 . . . . . . A 11 ARG NE . 36171 1 108 . 1 1 12 12 LYS H H 1 8.277 0.014 . . . . . . A 12 LYS H . 36171 1 109 . 1 1 12 12 LYS HA H 1 4.133 0.000 . . . . . . A 12 LYS HA . 36171 1 110 . 1 1 12 12 LYS HB2 H 1 1.337 0.007 . . . . . . A 12 LYS HB2 . 36171 1 111 . 1 1 12 12 LYS HB3 H 1 1.673 0.005 . . . . . . A 12 LYS HB3 . 36171 1 112 . 1 1 12 12 LYS HG2 H 1 1.309 0.025 . . . . . . A 12 LYS HG2 . 36171 1 113 . 1 1 12 12 LYS HD2 H 1 1.596 0.006 . . . . . . A 12 LYS HD2 . 36171 1 114 . 1 1 12 12 LYS HE2 H 1 2.946 0.019 . . . . . . A 12 LYS HE2 . 36171 1 115 . 1 1 12 12 LYS C C 13 177.438 0.000 . . . . . . A 12 LYS C . 36171 1 116 . 1 1 12 12 LYS CA C 13 57.692 0.040 . . . . . . A 12 LYS CA . 36171 1 117 . 1 1 12 12 LYS CB C 13 32.523 0.038 . . . . . . A 12 LYS CB . 36171 1 118 . 1 1 12 12 LYS CG C 13 24.768 0.064 . . . . . . A 12 LYS CG . 36171 1 119 . 1 1 12 12 LYS CD C 13 29.651 0.041 . . . . . . A 12 LYS CD . 36171 1 120 . 1 1 12 12 LYS CE C 13 42.119 0.010 . . . . . . A 12 LYS CE . 36171 1 121 . 1 1 12 12 LYS N N 15 126.499 0.118 . . . . . . A 12 LYS N . 36171 1 122 . 1 1 13 13 GLY H H 1 8.683 0.006 . . . . . . A 13 GLY H . 36171 1 123 . 1 1 13 13 GLY HA2 H 1 4.307 0.016 . . . . . . A 13 GLY HA2 . 36171 1 124 . 1 1 13 13 GLY HA3 H 1 3.619 0.022 . . . . . . A 13 GLY HA3 . 36171 1 125 . 1 1 13 13 GLY C C 13 174.090 0.000 . . . . . . A 13 GLY C . 36171 1 126 . 1 1 13 13 GLY CA C 13 44.992 0.004 . . . . . . A 13 GLY CA . 36171 1 127 . 1 1 13 13 GLY N N 15 114.373 0.141 . . . . . . A 13 GLY N . 36171 1 128 . 1 1 14 14 CYS H H 1 8.322 0.009 . . . . . . A 14 CYS H . 36171 1 129 . 1 1 14 14 CYS HA H 1 5.050 0.008 . . . . . . A 14 CYS HA . 36171 1 130 . 1 1 14 14 CYS HB2 H 1 3.633 0.009 . . . . . . A 14 CYS HB2 . 36171 1 131 . 1 1 14 14 CYS HB3 H 1 2.140 0.009 . . . . . . A 14 CYS HB3 . 36171 1 132 . 1 1 14 14 CYS C C 13 171.824 0.000 . . . . . . A 14 CYS C . 36171 1 133 . 1 1 14 14 CYS CA C 13 55.818 0.028 . . . . . . A 14 CYS CA . 36171 1 134 . 1 1 14 14 CYS CB C 13 46.656 0.039 . . . . . . A 14 CYS CB . 36171 1 135 . 1 1 14 14 CYS N N 15 117.381 0.048 . . . . . . A 14 CYS N . 36171 1 136 . 1 1 15 15 ASN H H 1 8.642 0.016 . . . . . . A 15 ASN H . 36171 1 137 . 1 1 15 15 ASN HA H 1 5.192 0.011 . . . . . . A 15 ASN HA . 36171 1 138 . 1 1 15 15 ASN HB3 H 1 2.308 0.014 . . . . . . A 15 ASN HB3 . 36171 1 139 . 1 1 15 15 ASN HD21 H 1 7.117 0.008 . . . . . . A 15 ASN HD21 . 36171 1 140 . 1 1 15 15 ASN HD22 H 1 6.614 0.006 . . . . . . A 15 ASN HD22 . 36171 1 141 . 1 1 15 15 ASN C C 13 173.068 0.000 . . . . . . A 15 ASN C . 36171 1 142 . 1 1 15 15 ASN CA C 13 51.534 0.039 . . . . . . A 15 ASN CA . 36171 1 143 . 1 1 15 15 ASN CB C 13 42.251 0.033 . . . . . . A 15 ASN CB . 36171 1 144 . 1 1 15 15 ASN CG C 13 175.456 0.000 . . . . . . A 15 ASN CG . 36171 1 145 . 1 1 15 15 ASN N N 15 120.412 0.046 . . . . . . A 15 ASN N . 36171 1 146 . 1 1 15 15 ASN ND2 N 15 110.949 0.069 . . . . . . A 15 ASN ND2 . 36171 1 147 . 1 1 16 16 TYR H H 1 8.505 0.007 . . . . . . A 16 TYR H . 36171 1 148 . 1 1 16 16 TYR HA H 1 4.637 0.009 . . . . . . A 16 TYR HA . 36171 1 149 . 1 1 16 16 TYR HB3 H 1 2.535 0.018 . . . . . . A 16 TYR HB3 . 36171 1 150 . 1 1 16 16 TYR HD1 H 1 6.880 0.009 . . . . . . A 16 TYR HD1 . 36171 1 151 . 1 1 16 16 TYR HD2 H 1 6.880 0.009 . . . . . . A 16 TYR HD2 . 36171 1 152 . 1 1 16 16 TYR HE1 H 1 6.623 0.010 . . . . . . A 16 TYR HE1 . 36171 1 153 . 1 1 16 16 TYR HE2 H 1 6.623 0.010 . . . . . . A 16 TYR HE2 . 36171 1 154 . 1 1 16 16 TYR C C 13 174.101 0.000 . . . . . . A 16 TYR C . 36171 1 155 . 1 1 16 16 TYR CA C 13 58.635 0.048 . . . . . . A 16 TYR CA . 36171 1 156 . 1 1 16 16 TYR CB C 13 39.183 0.085 . . . . . . A 16 TYR CB . 36171 1 157 . 1 1 16 16 TYR CD2 C 13 133.093 0.084 . . . . . . A 16 TYR CD2 . 36171 1 158 . 1 1 16 16 TYR CE2 C 13 117.925 0.037 . . . . . . A 16 TYR CE2 . 36171 1 159 . 1 1 16 16 TYR N N 15 120.167 0.038 . . . . . . A 16 TYR N . 36171 1 160 . 1 1 17 17 TYR H H 1 8.338 0.007 . . . . . . A 17 TYR H . 36171 1 161 . 1 1 17 17 TYR HA H 1 4.989 0.010 . . . . . . A 17 TYR HA . 36171 1 162 . 1 1 17 17 TYR HB2 H 1 2.507 0.011 . . . . . . A 17 TYR HB2 . 36171 1 163 . 1 1 17 17 TYR HB3 H 1 1.073 0.009 . . . . . . A 17 TYR HB3 . 36171 1 164 . 1 1 17 17 TYR HD1 H 1 6.679 0.010 . . . . . . A 17 TYR HD1 . 36171 1 165 . 1 1 17 17 TYR HD2 H 1 6.679 0.010 . . . . . . A 17 TYR HD2 . 36171 1 166 . 1 1 17 17 TYR HE1 H 1 6.451 0.001 . . . . . . A 17 TYR HE1 . 36171 1 167 . 1 1 17 17 TYR HE2 H 1 6.451 0.001 . . . . . . A 17 TYR HE2 . 36171 1 168 . 1 1 17 17 TYR C C 13 176.072 0.000 . . . . . . A 17 TYR C . 36171 1 169 . 1 1 17 17 TYR CA C 13 56.858 0.068 . . . . . . A 17 TYR CA . 36171 1 170 . 1 1 17 17 TYR CB C 13 43.288 0.016 . . . . . . A 17 TYR CB . 36171 1 171 . 1 1 17 17 TYR CD1 C 13 133.658 0.049 . . . . . . A 17 TYR CD1 . 36171 1 172 . 1 1 17 17 TYR N N 15 119.926 0.034 . . . . . . A 17 TYR N . 36171 1 173 . 1 1 18 18 SER H H 1 9.073 0.012 . . . . . . A 18 SER H . 36171 1 174 . 1 1 18 18 SER HA H 1 5.078 0.016 . . . . . . A 18 SER HA . 36171 1 175 . 1 1 18 18 SER HB2 H 1 4.333 0.015 . . . . . . A 18 SER HB2 . 36171 1 176 . 1 1 18 18 SER HB3 H 1 3.975 0.011 . . . . . . A 18 SER HB3 . 36171 1 177 . 1 1 18 18 SER C C 13 175.659 0.000 . . . . . . A 18 SER C . 36171 1 178 . 1 1 18 18 SER CA C 13 57.167 0.065 . . . . . . A 18 SER CA . 36171 1 179 . 1 1 18 18 SER CB C 13 65.149 0.103 . . . . . . A 18 SER CB . 36171 1 180 . 1 1 18 18 SER N N 15 117.667 0.046 . . . . . . A 18 SER N . 36171 1 181 . 1 1 19 19 ALA H H 1 8.900 0.012 . . . . . . A 19 ALA H . 36171 1 182 . 1 1 19 19 ALA HA H 1 4.013 0.005 . . . . . . A 19 ALA HA . 36171 1 183 . 1 1 19 19 ALA HB1 H 1 1.447 0.013 . . . . . . A 19 ALA HB1 . 36171 1 184 . 1 1 19 19 ALA HB2 H 1 1.447 0.013 . . . . . . A 19 ALA HB2 . 36171 1 185 . 1 1 19 19 ALA HB3 H 1 1.447 0.013 . . . . . . A 19 ALA HB3 . 36171 1 186 . 1 1 19 19 ALA C C 13 178.677 0.000 . . . . . . A 19 ALA C . 36171 1 187 . 1 1 19 19 ALA CA C 13 55.249 0.025 . . . . . . A 19 ALA CA . 36171 1 188 . 1 1 19 19 ALA CB C 13 18.193 0.018 . . . . . . A 19 ALA CB . 36171 1 189 . 1 1 19 19 ALA N N 15 121.740 0.073 . . . . . . A 19 ALA N . 36171 1 190 . 1 1 20 20 ASP H H 1 7.981 0.011 . . . . . . A 20 ASP H . 36171 1 191 . 1 1 20 20 ASP HA H 1 4.655 0.000 . . . . . . A 20 ASP HA . 36171 1 192 . 1 1 20 20 ASP HB2 H 1 3.018 0.000 . . . . . . A 20 ASP HB2 . 36171 1 193 . 1 1 20 20 ASP HB3 H 1 2.686 0.000 . . . . . . A 20 ASP HB3 . 36171 1 194 . 1 1 20 20 ASP C C 13 176.771 0.000 . . . . . . A 20 ASP C . 36171 1 195 . 1 1 20 20 ASP CA C 13 52.935 0.002 . . . . . . A 20 ASP CA . 36171 1 196 . 1 1 20 20 ASP CB C 13 39.740 0.074 . . . . . . A 20 ASP CB . 36171 1 197 . 1 1 20 20 ASP N N 15 113.983 0.053 . . . . . . A 20 ASP N . 36171 1 198 . 1 1 21 21 GLY H H 1 8.469 0.012 . . . . . . A 21 GLY H . 36171 1 199 . 1 1 21 21 GLY HA2 H 1 4.281 0.000 . . . . . . A 21 GLY HA2 . 36171 1 200 . 1 1 21 21 GLY C C 13 174.717 0.000 . . . . . . A 21 GLY C . 36171 1 201 . 1 1 21 21 GLY CA C 13 45.240 0.057 . . . . . . A 21 GLY CA . 36171 1 202 . 1 1 21 21 GLY N N 15 108.531 0.040 . . . . . . A 21 GLY N . 36171 1 203 . 1 1 22 22 THR H H 1 7.845 0.005 . . . . . . A 22 THR H . 36171 1 204 . 1 1 22 22 THR HA H 1 4.148 0.022 . . . . . . A 22 THR HA . 36171 1 205 . 1 1 22 22 THR HB H 1 4.189 0.011 . . . . . . A 22 THR HB . 36171 1 206 . 1 1 22 22 THR HG21 H 1 1.211 0.002 . . . . . . A 22 THR HG21 . 36171 1 207 . 1 1 22 22 THR HG22 H 1 1.211 0.002 . . . . . . A 22 THR HG22 . 36171 1 208 . 1 1 22 22 THR HG23 H 1 1.211 0.002 . . . . . . A 22 THR HG23 . 36171 1 209 . 1 1 22 22 THR C C 13 174.302 0.000 . . . . . . A 22 THR C . 36171 1 210 . 1 1 22 22 THR CA C 13 63.913 0.064 . . . . . . A 22 THR CA . 36171 1 211 . 1 1 22 22 THR CB C 13 68.502 0.048 . . . . . . A 22 THR CB . 36171 1 212 . 1 1 22 22 THR CG2 C 13 21.457 0.031 . . . . . . A 22 THR CG2 . 36171 1 213 . 1 1 22 22 THR N N 15 118.651 0.070 . . . . . . A 22 THR N . 36171 1 214 . 1 1 23 23 PHE H H 1 9.007 0.015 . . . . . . A 23 PHE H . 36171 1 215 . 1 1 23 23 PHE HA H 1 3.769 0.009 . . . . . . A 23 PHE HA . 36171 1 216 . 1 1 23 23 PHE HB2 H 1 2.806 0.009 . . . . . . A 23 PHE HB2 . 36171 1 217 . 1 1 23 23 PHE HD1 H 1 7.047 0.009 . . . . . . A 23 PHE HD1 . 36171 1 218 . 1 1 23 23 PHE HD2 H 1 7.047 0.009 . . . . . . A 23 PHE HD2 . 36171 1 219 . 1 1 23 23 PHE HE1 H 1 6.670 0.010 . . . . . . A 23 PHE HE1 . 36171 1 220 . 1 1 23 23 PHE HE2 H 1 6.670 0.010 . . . . . . A 23 PHE HE2 . 36171 1 221 . 1 1 23 23 PHE HZ H 1 6.735 0.002 . . . . . . A 23 PHE HZ . 36171 1 222 . 1 1 23 23 PHE C C 13 173.967 0.000 . . . . . . A 23 PHE C . 36171 1 223 . 1 1 23 23 PHE CA C 13 59.346 0.068 . . . . . . A 23 PHE CA . 36171 1 224 . 1 1 23 23 PHE CB C 13 38.906 0.068 . . . . . . A 23 PHE CB . 36171 1 225 . 1 1 23 23 PHE CD1 C 13 131.364 0.032 . . . . . . A 23 PHE CD1 . 36171 1 226 . 1 1 23 23 PHE CE1 C 13 131.135 0.023 . . . . . . A 23 PHE CE1 . 36171 1 227 . 1 1 23 23 PHE N N 15 128.388 0.029 . . . . . . A 23 PHE N . 36171 1 228 . 1 1 24 24 ILE H H 1 8.342 0.013 . . . . . . A 24 ILE H . 36171 1 229 . 1 1 24 24 ILE HA H 1 3.774 0.012 . . . . . . A 24 ILE HA . 36171 1 230 . 1 1 24 24 ILE HB H 1 1.219 0.015 . . . . . . A 24 ILE HB . 36171 1 231 . 1 1 24 24 ILE HG12 H 1 1.144 0.011 . . . . . . A 24 ILE HG12 . 36171 1 232 . 1 1 24 24 ILE HG13 H 1 1.113 0.002 . . . . . . A 24 ILE HG13 . 36171 1 233 . 1 1 24 24 ILE HG21 H 1 0.531 0.009 . . . . . . A 24 ILE HG21 . 36171 1 234 . 1 1 24 24 ILE HG22 H 1 0.531 0.009 . . . . . . A 24 ILE HG22 . 36171 1 235 . 1 1 24 24 ILE HG23 H 1 0.531 0.009 . . . . . . A 24 ILE HG23 . 36171 1 236 . 1 1 24 24 ILE HD11 H 1 0.438 0.001 . . . . . . A 24 ILE HD11 . 36171 1 237 . 1 1 24 24 ILE HD12 H 1 0.438 0.001 . . . . . . A 24 ILE HD12 . 36171 1 238 . 1 1 24 24 ILE HD13 H 1 0.438 0.001 . . . . . . A 24 ILE HD13 . 36171 1 239 . 1 1 24 24 ILE C C 13 175.628 0.000 . . . . . . A 24 ILE C . 36171 1 240 . 1 1 24 24 ILE CA C 13 61.093 0.078 . . . . . . A 24 ILE CA . 36171 1 241 . 1 1 24 24 ILE CB C 13 38.023 0.096 . . . . . . A 24 ILE CB . 36171 1 242 . 1 1 24 24 ILE CG1 C 13 26.433 0.034 . . . . . . A 24 ILE CG1 . 36171 1 243 . 1 1 24 24 ILE CG2 C 13 16.937 0.024 . . . . . . A 24 ILE CG2 . 36171 1 244 . 1 1 24 24 ILE CD1 C 13 11.493 0.071 . . . . . . A 24 ILE CD1 . 36171 1 245 . 1 1 24 24 ILE N N 15 128.712 0.032 . . . . . . A 24 ILE N . 36171 1 246 . 1 1 25 25 CYS H H 1 6.379 0.016 . . . . . . A 25 CYS H . 36171 1 247 . 1 1 25 25 CYS HA H 1 4.237 0.002 . . . . . . A 25 CYS HA . 36171 1 248 . 1 1 25 25 CYS HB2 H 1 3.664 0.003 . . . . . . A 25 CYS HB2 . 36171 1 249 . 1 1 25 25 CYS C C 13 172.088 0.000 . . . . . . A 25 CYS C . 36171 1 250 . 1 1 25 25 CYS CA C 13 55.124 0.091 . . . . . . A 25 CYS CA . 36171 1 251 . 1 1 25 25 CYS CB C 13 46.548 0.066 . . . . . . A 25 CYS CB . 36171 1 252 . 1 1 25 25 CYS N N 15 108.883 0.031 . . . . . . A 25 CYS N . 36171 1 253 . 1 1 26 26 GLU H H 1 8.737 0.014 . . . . . . A 26 GLU H . 36171 1 254 . 1 1 26 26 GLU HA H 1 5.217 0.791 . . . . . . A 26 GLU HA . 36171 1 255 . 1 1 26 26 GLU HB2 H 1 2.179 0.000 . . . . . . A 26 GLU HB2 . 36171 1 256 . 1 1 26 26 GLU HB3 H 1 1.997 0.000 . . . . . . A 26 GLU HB3 . 36171 1 257 . 1 1 26 26 GLU HG2 H 1 2.559 0.002 . . . . . . A 26 GLU HG2 . 36171 1 258 . 1 1 26 26 GLU HG3 H 1 3.070 0.000 . . . . . . A 26 GLU HG3 . 36171 1 259 . 1 1 26 26 GLU C C 13 176.592 0.000 . . . . . . A 26 GLU C . 36171 1 260 . 1 1 26 26 GLU CA C 13 54.405 0.105 . . . . . . A 26 GLU CA . 36171 1 261 . 1 1 26 26 GLU CB C 13 29.640 0.036 . . . . . . A 26 GLU CB . 36171 1 262 . 1 1 26 26 GLU CG C 13 35.045 0.055 . . . . . . A 26 GLU CG . 36171 1 263 . 1 1 26 26 GLU N N 15 122.472 0.044 . . . . . . A 26 GLU N . 36171 1 264 . 1 1 27 27 GLY H H 1 8.648 0.026 . . . . . . A 27 GLY H . 36171 1 265 . 1 1 27 27 GLY HA2 H 1 3.453 0.000 . . . . . . A 27 GLY HA2 . 36171 1 266 . 1 1 27 27 GLY HA3 H 1 4.113 0.000 . . . . . . A 27 GLY HA3 . 36171 1 267 . 1 1 27 27 GLY C C 13 174.011 0.000 . . . . . . A 27 GLY C . 36171 1 268 . 1 1 27 27 GLY CA C 13 45.912 0.019 . . . . . . A 27 GLY CA . 36171 1 269 . 1 1 27 27 GLY N N 15 110.943 0.034 . . . . . . A 27 GLY N . 36171 1 270 . 1 1 28 28 GLU H H 1 7.159 0.007 . . . . . . A 28 GLU H . 36171 1 271 . 1 1 28 28 GLU HA H 1 4.439 0.000 . . . . . . A 28 GLU HA . 36171 1 272 . 1 1 28 28 GLU HB2 H 1 2.152 0.017 . . . . . . A 28 GLU HB2 . 36171 1 273 . 1 1 28 28 GLU HB3 H 1 2.256 0.000 . . . . . . A 28 GLU HB3 . 36171 1 274 . 1 1 28 28 GLU HG2 H 1 2.367 0.013 . . . . . . A 28 GLU HG2 . 36171 1 275 . 1 1 28 28 GLU HG3 H 1 2.439 0.000 . . . . . . A 28 GLU HG3 . 36171 1 276 . 1 1 28 28 GLU C C 13 177.530 0.000 . . . . . . A 28 GLU C . 36171 1 277 . 1 1 28 28 GLU CA C 13 55.731 0.010 . . . . . . A 28 GLU CA . 36171 1 278 . 1 1 28 28 GLU CB C 13 30.695 0.030 . . . . . . A 28 GLU CB . 36171 1 279 . 1 1 28 28 GLU CG C 13 34.771 0.000 . . . . . . A 28 GLU CG . 36171 1 280 . 1 1 28 28 GLU N N 15 116.967 0.038 . . . . . . A 28 GLU N . 36171 1 281 . 1 1 29 29 SER H H 1 9.152 0.004 . . . . . . A 29 SER H . 36171 1 282 . 1 1 29 29 SER HA H 1 4.635 0.008 . . . . . . A 29 SER HA . 36171 1 283 . 1 1 29 29 SER HB2 H 1 3.438 0.002 . . . . . . A 29 SER HB2 . 36171 1 284 . 1 1 29 29 SER HB3 H 1 3.969 0.006 . . . . . . A 29 SER HB3 . 36171 1 285 . 1 1 29 29 SER C C 13 174.031 0.000 . . . . . . A 29 SER C . 36171 1 286 . 1 1 29 29 SER CA C 13 60.635 0.061 . . . . . . A 29 SER CA . 36171 1 287 . 1 1 29 29 SER CB C 13 64.357 0.049 . . . . . . A 29 SER CB . 36171 1 288 . 1 1 29 29 SER N N 15 116.821 0.022 . . . . . . A 29 SER N . 36171 1 289 . 1 1 30 30 ASP H H 1 9.322 0.007 . . . . . . A 30 ASP H . 36171 1 290 . 1 1 30 30 ASP HA H 1 4.811 0.004 . . . . . . A 30 ASP HA . 36171 1 291 . 1 1 30 30 ASP HB2 H 1 2.853 0.004 . . . . . . A 30 ASP HB2 . 36171 1 292 . 1 1 30 30 ASP HB3 H 1 2.579 0.005 . . . . . . A 30 ASP HB3 . 36171 1 293 . 1 1 30 30 ASP CA C 13 50.931 0.053 . . . . . . A 30 ASP CA . 36171 1 294 . 1 1 30 30 ASP CB C 13 42.426 0.058 . . . . . . A 30 ASP CB . 36171 1 295 . 1 1 30 30 ASP N N 15 129.362 0.044 . . . . . . A 30 ASP N . 36171 1 296 . 1 1 31 31 PRO HA H 1 4.234 0.003 . . . . . . A 31 PRO HA . 36171 1 297 . 1 1 31 31 PRO HB3 H 1 2.253 0.004 . . . . . . A 31 PRO HB3 . 36171 1 298 . 1 1 31 31 PRO HG2 H 1 1.905 0.000 . . . . . . A 31 PRO HG2 . 36171 1 299 . 1 1 31 31 PRO HD2 H 1 3.942 0.004 . . . . . . A 31 PRO HD2 . 36171 1 300 . 1 1 31 31 PRO C C 13 177.361 0.000 . . . . . . A 31 PRO C . 36171 1 301 . 1 1 31 31 PRO CA C 13 64.442 0.074 . . . . . . A 31 PRO CA . 36171 1 302 . 1 1 31 31 PRO CB C 13 32.192 0.056 . . . . . . A 31 PRO CB . 36171 1 303 . 1 1 31 31 PRO CG C 13 27.066 0.000 . . . . . . A 31 PRO CG . 36171 1 304 . 1 1 31 31 PRO CD C 13 51.045 0.055 . . . . . . A 31 PRO CD . 36171 1 305 . 1 1 32 32 ASN H H 1 8.339 0.010 . . . . . . A 32 ASN H . 36171 1 306 . 1 1 32 32 ASN HA H 1 4.630 0.008 . . . . . . A 32 ASN HA . 36171 1 307 . 1 1 32 32 ASN HB2 H 1 2.773 0.019 . . . . . . A 32 ASN HB2 . 36171 1 308 . 1 1 32 32 ASN HD21 H 1 7.799 0.004 . . . . . . A 32 ASN HD21 . 36171 1 309 . 1 1 32 32 ASN HD22 H 1 6.920 0.007 . . . . . . A 32 ASN HD22 . 36171 1 310 . 1 1 32 32 ASN C C 13 175.169 0.000 . . . . . . A 32 ASN C . 36171 1 311 . 1 1 32 32 ASN CA C 13 53.703 0.053 . . . . . . A 32 ASN CA . 36171 1 312 . 1 1 32 32 ASN CB C 13 39.143 0.055 . . . . . . A 32 ASN CB . 36171 1 313 . 1 1 32 32 ASN CG C 13 177.063 0.000 . . . . . . A 32 ASN CG . 36171 1 314 . 1 1 32 32 ASN N N 15 113.653 0.023 . . . . . . A 32 ASN N . 36171 1 315 . 1 1 32 32 ASN ND2 N 15 114.391 0.126 . . . . . . A 32 ASN ND2 . 36171 1 316 . 1 1 33 33 ASN H H 1 7.785 0.011 . . . . . . A 33 ASN H . 36171 1 317 . 1 1 33 33 ASN HA H 1 4.908 0.009 . . . . . . A 33 ASN HA . 36171 1 318 . 1 1 33 33 ASN HB2 H 1 2.636 0.002 . . . . . . A 33 ASN HB2 . 36171 1 319 . 1 1 33 33 ASN HD21 H 1 7.566 0.001 . . . . . . A 33 ASN HD21 . 36171 1 320 . 1 1 33 33 ASN HD22 H 1 6.753 0.005 . . . . . . A 33 ASN HD22 . 36171 1 321 . 1 1 33 33 ASN CA C 13 51.676 0.056 . . . . . . A 33 ASN CA . 36171 1 322 . 1 1 33 33 ASN CB C 13 39.350 0.063 . . . . . . A 33 ASN CB . 36171 1 323 . 1 1 33 33 ASN CG C 13 177.968 0.000 . . . . . . A 33 ASN CG . 36171 1 324 . 1 1 33 33 ASN N N 15 116.425 0.045 . . . . . . A 33 ASN N . 36171 1 325 . 1 1 33 33 ASN ND2 N 15 112.506 0.091 . . . . . . A 33 ASN ND2 . 36171 1 326 . 1 1 34 34 PRO HA H 1 4.299 0.003 . . . . . . A 34 PRO HA . 36171 1 327 . 1 1 34 34 PRO HB2 H 1 2.197 0.001 . . . . . . A 34 PRO HB2 . 36171 1 328 . 1 1 34 34 PRO HG2 H 1 1.929 0.000 . . . . . . A 34 PRO HG2 . 36171 1 329 . 1 1 34 34 PRO HD2 H 1 3.556 0.005 . . . . . . A 34 PRO HD2 . 36171 1 330 . 1 1 34 34 PRO HD3 H 1 3.379 0.001 . . . . . . A 34 PRO HD3 . 36171 1 331 . 1 1 34 34 PRO C C 13 176.789 0.000 . . . . . . A 34 PRO C . 36171 1 332 . 1 1 34 34 PRO CA C 13 63.964 0.042 . . . . . . A 34 PRO CA . 36171 1 333 . 1 1 34 34 PRO CB C 13 32.375 0.036 . . . . . . A 34 PRO CB . 36171 1 334 . 1 1 34 34 PRO CG C 13 27.344 0.000 . . . . . . A 34 PRO CG . 36171 1 335 . 1 1 34 34 PRO CD C 13 50.246 0.028 . . . . . . A 34 PRO CD . 36171 1 336 . 1 1 35 35 LYS H H 1 7.752 0.010 . . . . . . A 35 LYS H . 36171 1 337 . 1 1 35 35 LYS HA H 1 4.314 0.012 . . . . . . A 35 LYS HA . 36171 1 338 . 1 1 35 35 LYS HB2 H 1 1.710 0.008 . . . . . . A 35 LYS HB2 . 36171 1 339 . 1 1 35 35 LYS HG2 H 1 1.371 0.003 . . . . . . A 35 LYS HG2 . 36171 1 340 . 1 1 35 35 LYS HD2 H 1 1.597 0.000 . . . . . . A 35 LYS HD2 . 36171 1 341 . 1 1 35 35 LYS HE2 H 1 3.038 0.004 . . . . . . A 35 LYS HE2 . 36171 1 342 . 1 1 35 35 LYS C C 13 175.396 0.000 . . . . . . A 35 LYS C . 36171 1 343 . 1 1 35 35 LYS CA C 13 55.493 0.073 . . . . . . A 35 LYS CA . 36171 1 344 . 1 1 35 35 LYS CB C 13 34.326 0.073 . . . . . . A 35 LYS CB . 36171 1 345 . 1 1 35 35 LYS CG C 13 24.630 0.013 . . . . . . A 35 LYS CG . 36171 1 346 . 1 1 35 35 LYS CD C 13 30.198 0.000 . . . . . . A 35 LYS CD . 36171 1 347 . 1 1 35 35 LYS CE C 13 42.197 0.044 . . . . . . A 35 LYS CE . 36171 1 348 . 1 1 35 35 LYS N N 15 122.007 0.034 . . . . . . A 35 LYS N . 36171 1 349 . 1 1 36 36 ALA H H 1 8.256 0.008 . . . . . . A 36 ALA H . 36171 1 350 . 1 1 36 36 ALA HA H 1 4.324 0.004 . . . . . . A 36 ALA HA . 36171 1 351 . 1 1 36 36 ALA HB1 H 1 1.256 0.012 . . . . . . A 36 ALA HB1 . 36171 1 352 . 1 1 36 36 ALA HB2 H 1 1.256 0.012 . . . . . . A 36 ALA HB2 . 36171 1 353 . 1 1 36 36 ALA HB3 H 1 1.256 0.012 . . . . . . A 36 ALA HB3 . 36171 1 354 . 1 1 36 36 ALA C C 13 177.109 0.000 . . . . . . A 36 ALA C . 36171 1 355 . 1 1 36 36 ALA CA C 13 52.268 0.063 . . . . . . A 36 ALA CA . 36171 1 356 . 1 1 36 36 ALA CB C 13 17.920 0.082 . . . . . . A 36 ALA CB . 36171 1 357 . 1 1 36 36 ALA N N 15 125.235 0.086 . . . . . . A 36 ALA N . 36171 1 358 . 1 1 37 37 CYS H H 1 8.017 0.008 . . . . . . A 37 CYS H . 36171 1 359 . 1 1 37 37 CYS HA H 1 5.238 0.013 . . . . . . A 37 CYS HA . 36171 1 360 . 1 1 37 37 CYS HB2 H 1 3.079 0.011 . . . . . . A 37 CYS HB2 . 36171 1 361 . 1 1 37 37 CYS HB3 H 1 2.471 0.012 . . . . . . A 37 CYS HB3 . 36171 1 362 . 1 1 37 37 CYS CA C 13 51.560 0.030 . . . . . . A 37 CYS CA . 36171 1 363 . 1 1 37 37 CYS CB C 13 40.499 0.054 . . . . . . A 37 CYS CB . 36171 1 364 . 1 1 37 37 CYS N N 15 122.714 0.027 . . . . . . A 37 CYS N . 36171 1 365 . 1 1 38 38 PRO HA H 1 4.448 0.001 . . . . . . A 38 PRO HA . 36171 1 366 . 1 1 38 38 PRO HB2 H 1 2.321 0.003 . . . . . . A 38 PRO HB2 . 36171 1 367 . 1 1 38 38 PRO HG2 H 1 1.874 0.000 . . . . . . A 38 PRO HG2 . 36171 1 368 . 1 1 38 38 PRO HD2 H 1 3.450 0.001 . . . . . . A 38 PRO HD2 . 36171 1 369 . 1 1 38 38 PRO HD3 H 1 3.829 0.004 . . . . . . A 38 PRO HD3 . 36171 1 370 . 1 1 38 38 PRO C C 13 176.948 0.000 . . . . . . A 38 PRO C . 36171 1 371 . 1 1 38 38 PRO CA C 13 62.448 0.047 . . . . . . A 38 PRO CA . 36171 1 372 . 1 1 38 38 PRO CB C 13 32.213 0.049 . . . . . . A 38 PRO CB . 36171 1 373 . 1 1 38 38 PRO CG C 13 27.665 0.000 . . . . . . A 38 PRO CG . 36171 1 374 . 1 1 38 38 PRO CD C 13 50.601 0.052 . . . . . . A 38 PRO CD . 36171 1 375 . 1 1 39 39 ARG H H 1 8.605 0.009 . . . . . . A 39 ARG H . 36171 1 376 . 1 1 39 39 ARG HA H 1 4.218 0.006 . . . . . . A 39 ARG HA . 36171 1 377 . 1 1 39 39 ARG HB2 H 1 1.599 0.000 . . . . . . A 39 ARG HB2 . 36171 1 378 . 1 1 39 39 ARG HB3 H 1 1.859 0.007 . . . . . . A 39 ARG HB3 . 36171 1 379 . 1 1 39 39 ARG HG2 H 1 1.550 0.002 . . . . . . A 39 ARG HG2 . 36171 1 380 . 1 1 39 39 ARG HD2 H 1 3.112 0.005 . . . . . . A 39 ARG HD2 . 36171 1 381 . 1 1 39 39 ARG HE H 1 7.091 0.002 . . . . . . A 39 ARG HE . 36171 1 382 . 1 1 39 39 ARG C C 13 176.228 0.000 . . . . . . A 39 ARG C . 36171 1 383 . 1 1 39 39 ARG CA C 13 55.292 0.035 . . . . . . A 39 ARG CA . 36171 1 384 . 1 1 39 39 ARG CB C 13 29.868 0.023 . . . . . . A 39 ARG CB . 36171 1 385 . 1 1 39 39 ARG CG C 13 26.959 0.031 . . . . . . A 39 ARG CG . 36171 1 386 . 1 1 39 39 ARG CD C 13 42.949 0.078 . . . . . . A 39 ARG CD . 36171 1 387 . 1 1 39 39 ARG N N 15 120.374 0.025 . . . . . . A 39 ARG N . 36171 1 388 . 1 1 39 39 ARG NE N 15 120.680 0.037 . . . . . . A 39 ARG NE . 36171 1 389 . 1 1 40 40 ASN H H 1 7.655 0.008 . . . . . . A 40 ASN H . 36171 1 390 . 1 1 40 40 ASN HA H 1 4.401 0.010 . . . . . . A 40 ASN HA . 36171 1 391 . 1 1 40 40 ASN HB2 H 1 2.586 0.007 . . . . . . A 40 ASN HB2 . 36171 1 392 . 1 1 40 40 ASN HD21 H 1 6.765 0.005 . . . . . . A 40 ASN HD21 . 36171 1 393 . 1 1 40 40 ASN HD22 H 1 7.388 0.009 . . . . . . A 40 ASN HD22 . 36171 1 394 . 1 1 40 40 ASN C C 13 174.443 0.000 . . . . . . A 40 ASN C . 36171 1 395 . 1 1 40 40 ASN CA C 13 53.180 0.047 . . . . . . A 40 ASN CA . 36171 1 396 . 1 1 40 40 ASN CB C 13 38.442 0.027 . . . . . . A 40 ASN CB . 36171 1 397 . 1 1 40 40 ASN CG C 13 176.764 0.000 . . . . . . A 40 ASN CG . 36171 1 398 . 1 1 40 40 ASN N N 15 116.089 0.045 . . . . . . A 40 ASN N . 36171 1 399 . 1 1 40 40 ASN ND2 N 15 112.860 0.195 . . . . . . A 40 ASN ND2 . 36171 1 400 . 1 1 41 41 CYS H H 1 8.629 0.008 . . . . . . A 41 CYS H . 36171 1 401 . 1 1 41 41 CYS HA H 1 4.297 0.012 . . . . . . A 41 CYS HA . 36171 1 402 . 1 1 41 41 CYS HB2 H 1 3.450 0.000 . . . . . . A 41 CYS HB2 . 36171 1 403 . 1 1 41 41 CYS C C 13 174.445 0.000 . . . . . . A 41 CYS C . 36171 1 404 . 1 1 41 41 CYS CA C 13 52.978 0.041 . . . . . . A 41 CYS CA . 36171 1 405 . 1 1 41 41 CYS CB C 13 40.715 0.067 . . . . . . A 41 CYS CB . 36171 1 406 . 1 1 41 41 CYS N N 15 119.390 0.049 . . . . . . A 41 CYS N . 36171 1 407 . 1 1 42 42 ASP H H 1 9.034 0.010 . . . . . . A 42 ASP H . 36171 1 408 . 1 1 42 42 ASP HA H 1 4.847 0.024 . . . . . . A 42 ASP HA . 36171 1 409 . 1 1 42 42 ASP CA C 13 51.315 0.030 . . . . . . A 42 ASP CA . 36171 1 410 . 1 1 42 42 ASP CB C 13 41.414 0.000 . . . . . . A 42 ASP CB . 36171 1 411 . 1 1 42 42 ASP N N 15 126.298 0.051 . . . . . . A 42 ASP N . 36171 1 412 . 1 1 43 43 PRO HA H 1 4.396 0.003 . . . . . . A 43 PRO HA . 36171 1 413 . 1 1 43 43 PRO HB2 H 1 2.260 0.000 . . . . . . A 43 PRO HB2 . 36171 1 414 . 1 1 43 43 PRO HG2 H 1 1.972 0.003 . . . . . . A 43 PRO HG2 . 36171 1 415 . 1 1 43 43 PRO HD2 H 1 3.911 0.011 . . . . . . A 43 PRO HD2 . 36171 1 416 . 1 1 43 43 PRO C C 13 177.172 0.000 . . . . . . A 43 PRO C . 36171 1 417 . 1 1 43 43 PRO CA C 13 63.862 0.049 . . . . . . A 43 PRO CA . 36171 1 418 . 1 1 43 43 PRO CB C 13 32.014 0.000 . . . . . . A 43 PRO CB . 36171 1 419 . 1 1 43 43 PRO CG C 13 26.948 0.063 . . . . . . A 43 PRO CG . 36171 1 420 . 1 1 43 43 PRO CD C 13 51.025 0.063 . . . . . . A 43 PRO CD . 36171 1 421 . 1 1 44 44 ASN H H 1 8.715 0.005 . . . . . . A 44 ASN H . 36171 1 422 . 1 1 44 44 ASN HA H 1 4.537 0.017 . . . . . . A 44 ASN HA . 36171 1 423 . 1 1 44 44 ASN HB2 H 1 2.612 0.000 . . . . . . A 44 ASN HB2 . 36171 1 424 . 1 1 44 44 ASN HD21 H 1 8.033 0.005 . . . . . . A 44 ASN HD21 . 36171 1 425 . 1 1 44 44 ASN HD22 H 1 6.979 0.000 . . . . . . A 44 ASN HD22 . 36171 1 426 . 1 1 44 44 ASN C C 13 175.154 0.000 . . . . . . A 44 ASN C . 36171 1 427 . 1 1 44 44 ASN CA C 13 53.355 0.137 . . . . . . A 44 ASN CA . 36171 1 428 . 1 1 44 44 ASN CB C 13 39.248 0.000 . . . . . . A 44 ASN CB . 36171 1 429 . 1 1 44 44 ASN CG C 13 177.129 0.000 . . . . . . A 44 ASN CG . 36171 1 430 . 1 1 44 44 ASN N N 15 115.898 0.062 . . . . . . A 44 ASN N . 36171 1 431 . 1 1 44 44 ASN ND2 N 15 115.926 0.037 . . . . . . A 44 ASN ND2 . 36171 1 432 . 1 1 45 45 ILE H H 1 7.214 0.012 . . . . . . A 45 ILE H . 36171 1 433 . 1 1 45 45 ILE HA H 1 3.508 0.008 . . . . . . A 45 ILE HA . 36171 1 434 . 1 1 45 45 ILE HB H 1 1.649 0.005 . . . . . . A 45 ILE HB . 36171 1 435 . 1 1 45 45 ILE HG12 H 1 0.425 0.002 . . . . . . A 45 ILE HG12 . 36171 1 436 . 1 1 45 45 ILE HG13 H 1 1.403 0.005 . . . . . . A 45 ILE HG13 . 36171 1 437 . 1 1 45 45 ILE HG21 H 1 0.737 0.002 . . . . . . A 45 ILE HG21 . 36171 1 438 . 1 1 45 45 ILE HG22 H 1 0.737 0.002 . . . . . . A 45 ILE HG22 . 36171 1 439 . 1 1 45 45 ILE HG23 H 1 0.737 0.002 . . . . . . A 45 ILE HG23 . 36171 1 440 . 1 1 45 45 ILE HD11 H 1 0.426 0.003 . . . . . . A 45 ILE HD11 . 36171 1 441 . 1 1 45 45 ILE HD12 H 1 0.426 0.003 . . . . . . A 45 ILE HD12 . 36171 1 442 . 1 1 45 45 ILE HD13 H 1 0.426 0.003 . . . . . . A 45 ILE HD13 . 36171 1 443 . 1 1 45 45 ILE C C 13 173.930 0.000 . . . . . . A 45 ILE C . 36171 1 444 . 1 1 45 45 ILE CA C 13 62.951 0.043 . . . . . . A 45 ILE CA . 36171 1 445 . 1 1 45 45 ILE CB C 13 38.888 0.036 . . . . . . A 45 ILE CB . 36171 1 446 . 1 1 45 45 ILE CG1 C 13 28.539 0.046 . . . . . . A 45 ILE CG1 . 36171 1 447 . 1 1 45 45 ILE CG2 C 13 18.522 0.077 . . . . . . A 45 ILE CG2 . 36171 1 448 . 1 1 45 45 ILE CD1 C 13 13.399 0.060 . . . . . . A 45 ILE CD1 . 36171 1 449 . 1 1 45 45 ILE N N 15 117.732 0.087 . . . . . . A 45 ILE N . 36171 1 450 . 1 1 46 46 ALA H H 1 9.438 0.015 . . . . . . A 46 ALA H . 36171 1 451 . 1 1 46 46 ALA HA H 1 4.741 0.012 . . . . . . A 46 ALA HA . 36171 1 452 . 1 1 46 46 ALA HB1 H 1 1.500 0.006 . . . . . . A 46 ALA HB1 . 36171 1 453 . 1 1 46 46 ALA HB2 H 1 1.500 0.006 . . . . . . A 46 ALA HB2 . 36171 1 454 . 1 1 46 46 ALA HB3 H 1 1.500 0.006 . . . . . . A 46 ALA HB3 . 36171 1 455 . 1 1 46 46 ALA C C 13 177.057 0.000 . . . . . . A 46 ALA C . 36171 1 456 . 1 1 46 46 ALA CA C 13 52.573 0.024 . . . . . . A 46 ALA CA . 36171 1 457 . 1 1 46 46 ALA CB C 13 22.005 0.042 . . . . . . A 46 ALA CB . 36171 1 458 . 1 1 46 46 ALA N N 15 129.869 0.030 . . . . . . A 46 ALA N . 36171 1 459 . 1 1 47 47 TYR H H 1 7.947 0.018 . . . . . . A 47 TYR H . 36171 1 460 . 1 1 47 47 TYR HA H 1 4.932 0.012 . . . . . . A 47 TYR HA . 36171 1 461 . 1 1 47 47 TYR HB3 H 1 3.121 0.006 . . . . . . A 47 TYR HB3 . 36171 1 462 . 1 1 47 47 TYR HD1 H 1 6.770 0.012 . . . . . . A 47 TYR HD1 . 36171 1 463 . 1 1 47 47 TYR HD2 H 1 6.770 0.012 . . . . . . A 47 TYR HD2 . 36171 1 464 . 1 1 47 47 TYR HE1 H 1 6.450 0.002 . . . . . . A 47 TYR HE1 . 36171 1 465 . 1 1 47 47 TYR HE2 H 1 6.450 0.002 . . . . . . A 47 TYR HE2 . 36171 1 466 . 1 1 47 47 TYR C C 13 171.709 0.000 . . . . . . A 47 TYR C . 36171 1 467 . 1 1 47 47 TYR CA C 13 56.895 0.033 . . . . . . A 47 TYR CA . 36171 1 468 . 1 1 47 47 TYR CB C 13 39.540 0.047 . . . . . . A 47 TYR CB . 36171 1 469 . 1 1 47 47 TYR CD1 C 13 133.255 0.042 . . . . . . A 47 TYR CD1 . 36171 1 470 . 1 1 47 47 TYR N N 15 112.700 0.087 . . . . . . A 47 TYR N . 36171 1 471 . 1 1 48 48 SER H H 1 8.605 0.008 . . . . . . A 48 SER H . 36171 1 472 . 1 1 48 48 SER HA H 1 5.512 0.007 . . . . . . A 48 SER HA . 36171 1 473 . 1 1 48 48 SER HB2 H 1 3.278 0.013 . . . . . . A 48 SER HB2 . 36171 1 474 . 1 1 48 48 SER HB3 H 1 3.411 0.002 . . . . . . A 48 SER HB3 . 36171 1 475 . 1 1 48 48 SER C C 13 173.703 0.000 . . . . . . A 48 SER C . 36171 1 476 . 1 1 48 48 SER CA C 13 54.787 0.037 . . . . . . A 48 SER CA . 36171 1 477 . 1 1 48 48 SER CB C 13 67.880 0.054 . . . . . . A 48 SER CB . 36171 1 478 . 1 1 48 48 SER N N 15 113.131 0.030 . . . . . . A 48 SER N . 36171 1 479 . 1 1 49 49 LEU H H 1 8.814 0.012 . . . . . . A 49 LEU H . 36171 1 480 . 1 1 49 49 LEU HA H 1 4.743 0.008 . . . . . . A 49 LEU HA . 36171 1 481 . 1 1 49 49 LEU HB2 H 1 1.714 0.004 . . . . . . A 49 LEU HB2 . 36171 1 482 . 1 1 49 49 LEU HG H 1 1.855 0.002 . . . . . . A 49 LEU HG . 36171 1 483 . 1 1 49 49 LEU HD11 H 1 0.985 0.001 . . . . . . A 49 LEU HD11 . 36171 1 484 . 1 1 49 49 LEU HD12 H 1 0.985 0.001 . . . . . . A 49 LEU HD12 . 36171 1 485 . 1 1 49 49 LEU HD13 H 1 0.985 0.001 . . . . . . A 49 LEU HD13 . 36171 1 486 . 1 1 49 49 LEU HD21 H 1 0.836 0.003 . . . . . . A 49 LEU HD21 . 36171 1 487 . 1 1 49 49 LEU HD22 H 1 0.836 0.003 . . . . . . A 49 LEU HD22 . 36171 1 488 . 1 1 49 49 LEU HD23 H 1 0.836 0.003 . . . . . . A 49 LEU HD23 . 36171 1 489 . 1 1 49 49 LEU C C 13 176.250 0.000 . . . . . . A 49 LEU C . 36171 1 490 . 1 1 49 49 LEU CA C 13 55.296 0.054 . . . . . . A 49 LEU CA . 36171 1 491 . 1 1 49 49 LEU CB C 13 44.834 0.030 . . . . . . A 49 LEU CB . 36171 1 492 . 1 1 49 49 LEU CG C 13 26.990 0.000 . . . . . . A 49 LEU CG . 36171 1 493 . 1 1 49 49 LEU CD1 C 13 23.526 0.038 . . . . . . A 49 LEU CD1 . 36171 1 494 . 1 1 49 49 LEU CD2 C 13 25.250 0.007 . . . . . . A 49 LEU CD2 . 36171 1 495 . 1 1 49 49 LEU N N 15 121.697 0.061 . . . . . . A 49 LEU N . 36171 1 496 . 1 1 50 50 CYS H H 1 8.557 0.018 . . . . . . A 50 CYS H . 36171 1 497 . 1 1 50 50 CYS HA H 1 4.982 0.000 . . . . . . A 50 CYS HA . 36171 1 498 . 1 1 50 50 CYS HB2 H 1 3.168 0.013 . . . . . . A 50 CYS HB2 . 36171 1 499 . 1 1 50 50 CYS HB3 H 1 3.019 0.002 . . . . . . A 50 CYS HB3 . 36171 1 500 . 1 1 50 50 CYS CA C 13 56.462 0.000 . . . . . . A 50 CYS CA . 36171 1 501 . 1 1 50 50 CYS CB C 13 46.976 0.044 . . . . . . A 50 CYS CB . 36171 1 502 . 1 1 50 50 CYS N N 15 128.821 0.100 . . . . . . A 50 CYS N . 36171 1 stop_ save_