################################### # 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 31043 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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-15N HSQC' . . . 31043 1 2 '3D HNCO' . . . 31043 1 3 '3D HNCA' . . . 31043 1 4 '3D HN(CO)CA' . . . 31043 1 5 '3D HNCACB' . . . 31043 1 6 '3D CBCA(CO)NH' . . . 31043 1 7 '3D HBHA(CO)NH' . . . 31043 1 8 '2D 1H-13C HSQC' . . . 31043 1 9 '3D CCH-TOCSY' . . . 31043 1 10 '3D HCCH-TOCSY' . . . 31043 1 11 '3D 1H-15N NOESY' . . . 31043 1 12 '3D 1H-13C NOESY' . . . 31043 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 3 3 HIS HA H 1 4.738 0.01 . . . . . . A 3 HIS HA . 31043 1 2 . 1 . 1 3 3 HIS HB2 H 1 3.199 0.01 . . . . . . A 3 HIS HB2 . 31043 1 3 . 1 . 1 3 3 HIS HB3 H 1 3.283 0.01 . . . . . . A 3 HIS HB3 . 31043 1 4 . 1 . 1 3 3 HIS C C 13 174.603 0.00 . . . . . . A 3 HIS C . 31043 1 5 . 1 . 1 3 3 HIS CA C 13 55.786 0.15 . . . . . . A 3 HIS CA . 31043 1 6 . 1 . 1 3 3 HIS CB C 13 29.372 0.06 . . . . . . A 3 HIS CB . 31043 1 7 . 1 . 1 4 4 MET H H 1 8.412 0.01 . . . . . . A 4 MET H . 31043 1 8 . 1 . 1 4 4 MET HA H 1 4.468 0.00 . . . . . . A 4 MET HA . 31043 1 9 . 1 . 1 4 4 MET HB2 H 1 2.000 0.01 . . . . . . A 4 MET HB2 . 31043 1 10 . 1 . 1 4 4 MET HB3 H 1 2.076 0.01 . . . . . . A 4 MET HB3 . 31043 1 11 . 1 . 1 4 4 MET HG2 H 1 2.594 0.01 . . . . . . A 4 MET HG2 . 31043 1 12 . 1 . 1 4 4 MET HG3 H 1 2.531 0.01 . . . . . . A 4 MET HG3 . 31043 1 13 . 1 . 1 4 4 MET HE1 H 1 2.110 0.00 . . . . . . A 4 MET HE1 . 31043 1 14 . 1 . 1 4 4 MET HE2 H 1 2.110 0.00 . . . . . . A 4 MET HE2 . 31043 1 15 . 1 . 1 4 4 MET HE3 H 1 2.110 0.00 . . . . . . A 4 MET HE3 . 31043 1 16 . 1 . 1 4 4 MET C C 13 175.908 0.00 . . . . . . A 4 MET C . 31043 1 17 . 1 . 1 4 4 MET CA C 13 55.655 0.05 . . . . . . A 4 MET CA . 31043 1 18 . 1 . 1 4 4 MET CB C 13 33.129 0.04 . . . . . . A 4 MET CB . 31043 1 19 . 1 . 1 4 4 MET CG C 13 31.965 0.03 . . . . . . A 4 MET CG . 31043 1 20 . 1 . 1 4 4 MET CE C 13 17.062 0.00 . . . . . . A 4 MET CE . 31043 1 21 . 1 . 1 4 4 MET N N 15 122.052 0.04 . . . . . . A 4 MET N . 31043 1 22 . 1 . 1 5 5 ALA H H 1 8.466 0.00 . . . . . . A 5 ALA H . 31043 1 23 . 1 . 1 5 5 ALA HA H 1 4.392 0.01 . . . . . . A 5 ALA HA . 31043 1 24 . 1 . 1 5 5 ALA HB1 H 1 1.441 0.00 . . . . . . A 5 ALA HB1 . 31043 1 25 . 1 . 1 5 5 ALA HB2 H 1 1.441 0.00 . . . . . . A 5 ALA HB2 . 31043 1 26 . 1 . 1 5 5 ALA HB3 H 1 1.441 0.00 . . . . . . A 5 ALA HB3 . 31043 1 27 . 1 . 1 5 5 ALA C C 13 177.927 0.00 . . . . . . A 5 ALA C . 31043 1 28 . 1 . 1 5 5 ALA CA C 13 52.913 0.04 . . . . . . A 5 ALA CA . 31043 1 29 . 1 . 1 5 5 ALA CB C 13 19.264 0.08 . . . . . . A 5 ALA CB . 31043 1 30 . 1 . 1 5 5 ALA N N 15 125.850 0.03 . . . . . . A 5 ALA N . 31043 1 31 . 1 . 1 6 6 THR H H 1 8.101 0.00 . . . . . . A 6 THR H . 31043 1 32 . 1 . 1 6 6 THR HA H 1 4.310 0.01 . . . . . . A 6 THR HA . 31043 1 33 . 1 . 1 6 6 THR HB H 1 4.263 0.01 . . . . . . A 6 THR HB . 31043 1 34 . 1 . 1 6 6 THR HG21 H 1 1.238 0.00 . . . . . . A 6 THR HG21 . 31043 1 35 . 1 . 1 6 6 THR HG22 H 1 1.238 0.00 . . . . . . A 6 THR HG22 . 31043 1 36 . 1 . 1 6 6 THR HG23 H 1 1.238 0.00 . . . . . . A 6 THR HG23 . 31043 1 37 . 1 . 1 6 6 THR C C 13 174.394 0.00 . . . . . . A 6 THR C . 31043 1 38 . 1 . 1 6 6 THR CA C 13 61.920 0.11 . . . . . . A 6 THR CA . 31043 1 39 . 1 . 1 6 6 THR CB C 13 69.925 0.20 . . . . . . A 6 THR CB . 31043 1 40 . 1 . 1 6 6 THR CG2 C 13 21.866 0.12 . . . . . . A 6 THR CG2 . 31043 1 41 . 1 . 1 6 6 THR N N 15 113.377 0.05 . . . . . . A 6 THR N . 31043 1 42 . 1 . 1 7 7 ALA H H 1 8.317 0.00 . . . . . . A 7 ALA H . 31043 1 43 . 1 . 1 7 7 ALA HA H 1 4.383 0.01 . . . . . . A 7 ALA HA . 31043 1 44 . 1 . 1 7 7 ALA HB1 H 1 1.434 0.01 . . . . . . A 7 ALA HB1 . 31043 1 45 . 1 . 1 7 7 ALA HB2 H 1 1.434 0.01 . . . . . . A 7 ALA HB2 . 31043 1 46 . 1 . 1 7 7 ALA HB3 H 1 1.434 0.01 . . . . . . A 7 ALA HB3 . 31043 1 47 . 1 . 1 7 7 ALA C C 13 177.557 0.00 . . . . . . A 7 ALA C . 31043 1 48 . 1 . 1 7 7 ALA CA C 13 52.869 0.10 . . . . . . A 7 ALA CA . 31043 1 49 . 1 . 1 7 7 ALA CB C 13 19.273 0.09 . . . . . . A 7 ALA CB . 31043 1 50 . 1 . 1 7 7 ALA N N 15 126.271 0.03 . . . . . . A 7 ALA N . 31043 1 51 . 1 . 1 8 8 CYS H H 1 8.309 0.00 . . . . . . A 8 CYS H . 31043 1 52 . 1 . 1 8 8 CYS HA H 1 4.498 0.01 . . . . . . A 8 CYS HA . 31043 1 53 . 1 . 1 8 8 CYS HB2 H 1 2.947 0.00 . . . . . . A 8 CYS HB2 . 31043 1 54 . 1 . 1 8 8 CYS HB3 H 1 2.947 0.00 . . . . . . A 8 CYS HB3 . 31043 1 55 . 1 . 1 8 8 CYS C C 13 174.574 0.00 . . . . . . A 8 CYS C . 31043 1 56 . 1 . 1 8 8 CYS CA C 13 58.467 0.05 . . . . . . A 8 CYS CA . 31043 1 57 . 1 . 1 8 8 CYS CB C 13 28.099 0.09 . . . . . . A 8 CYS CB . 31043 1 58 . 1 . 1 8 8 CYS N N 15 118.679 0.03 . . . . . . A 8 CYS N . 31043 1 59 . 1 . 1 9 9 LYS H H 1 8.432 0.00 . . . . . . A 9 LYS H . 31043 1 60 . 1 . 1 9 9 LYS HA H 1 4.364 0.01 . . . . . . A 9 LYS HA . 31043 1 61 . 1 . 1 9 9 LYS HB2 H 1 1.790 0.01 . . . . . . A 9 LYS HB2 . 31043 1 62 . 1 . 1 9 9 LYS HB3 H 1 1.866 0.00 . . . . . . A 9 LYS HB3 . 31043 1 63 . 1 . 1 9 9 LYS HG2 H 1 1.480 0.01 . . . . . . A 9 LYS HG2 . 31043 1 64 . 1 . 1 9 9 LYS HG3 H 1 1.430 0.00 . . . . . . A 9 LYS HG3 . 31043 1 65 . 1 . 1 9 9 LYS HD2 H 1 1.707 0.00 . . . . . . A 9 LYS HD2 . 31043 1 66 . 1 . 1 9 9 LYS HD3 H 1 1.706 0.00 . . . . . . A 9 LYS HD3 . 31043 1 67 . 1 . 1 9 9 LYS HE2 H 1 3.018 0.01 . . . . . . A 9 LYS HE2 . 31043 1 68 . 1 . 1 9 9 LYS HE3 H 1 3.016 0.01 . . . . . . A 9 LYS HE3 . 31043 1 69 . 1 . 1 9 9 LYS C C 13 176.534 0.00 . . . . . . A 9 LYS C . 31043 1 70 . 1 . 1 9 9 LYS CA C 13 56.517 0.09 . . . . . . A 9 LYS CA . 31043 1 71 . 1 . 1 9 9 LYS CB C 13 33.057 0.07 . . . . . . A 9 LYS CB . 31043 1 72 . 1 . 1 9 9 LYS CG C 13 24.828 0.06 . . . . . . A 9 LYS CG . 31043 1 73 . 1 . 1 9 9 LYS CD C 13 29.115 0.08 . . . . . . A 9 LYS CD . 31043 1 74 . 1 . 1 9 9 LYS CE C 13 42.191 0.08 . . . . . . A 9 LYS CE . 31043 1 75 . 1 . 1 9 9 LYS N N 15 124.182 0.03 . . . . . . A 9 LYS N . 31043 1 76 . 1 . 1 10 10 ARG H H 1 8.450 0.00 . . . . . . A 10 ARG H . 31043 1 77 . 1 . 1 10 10 ARG HA H 1 4.408 0.01 . . . . . . A 10 ARG HA . 31043 1 78 . 1 . 1 10 10 ARG HB2 H 1 1.794 0.01 . . . . . . A 10 ARG HB2 . 31043 1 79 . 1 . 1 10 10 ARG HB3 H 1 1.904 0.01 . . . . . . A 10 ARG HB3 . 31043 1 80 . 1 . 1 10 10 ARG HG2 H 1 1.686 0.00 . . . . . . A 10 ARG HG2 . 31043 1 81 . 1 . 1 10 10 ARG HG3 H 1 1.652 0.01 . . . . . . A 10 ARG HG3 . 31043 1 82 . 1 . 1 10 10 ARG HD2 H 1 3.225 0.00 . . . . . . A 10 ARG HD2 . 31043 1 83 . 1 . 1 10 10 ARG HD3 H 1 3.226 0.01 . . . . . . A 10 ARG HD3 . 31043 1 84 . 1 . 1 10 10 ARG C C 13 176.364 0.00 . . . . . . A 10 ARG C . 31043 1 85 . 1 . 1 10 10 ARG CA C 13 56.191 0.06 . . . . . . A 10 ARG CA . 31043 1 86 . 1 . 1 10 10 ARG CB C 13 30.895 0.12 . . . . . . A 10 ARG CB . 31043 1 87 . 1 . 1 10 10 ARG CG C 13 27.346 0.03 . . . . . . A 10 ARG CG . 31043 1 88 . 1 . 1 10 10 ARG CD C 13 43.487 0.09 . . . . . . A 10 ARG CD . 31043 1 89 . 1 . 1 10 10 ARG N N 15 122.812 0.03 . . . . . . A 10 ARG N . 31043 1 90 . 1 . 1 11 11 SER H H 1 8.427 0.00 . . . . . . A 11 SER H . 31043 1 91 . 1 . 1 11 11 SER HA H 1 4.498 0.02 . . . . . . A 11 SER HA . 31043 1 92 . 1 . 1 11 11 SER HB2 H 1 3.881 0.01 . . . . . . A 11 SER HB2 . 31043 1 93 . 1 . 1 11 11 SER HB3 H 1 3.878 0.02 . . . . . . A 11 SER HB3 . 31043 1 94 . 1 . 1 11 11 SER C C 13 174.992 0.00 . . . . . . A 11 SER C . 31043 1 95 . 1 . 1 11 11 SER CA C 13 58.487 0.08 . . . . . . A 11 SER CA . 31043 1 96 . 1 . 1 11 11 SER CB C 13 63.944 0.07 . . . . . . A 11 SER CB . 31043 1 97 . 1 . 1 11 11 SER N N 15 117.295 0.03 . . . . . . A 11 SER N . 31043 1 98 . 1 . 1 12 12 GLY H H 1 8.470 0.00 . . . . . . A 12 GLY H . 31043 1 99 . 1 . 1 12 12 GLY HA2 H 1 4.000 0.00 . . . . . . A 12 GLY HA2 . 31043 1 100 . 1 . 1 12 12 GLY HA3 H 1 4.000 0.00 . . . . . . A 12 GLY HA3 . 31043 1 101 . 1 . 1 12 12 GLY C C 13 173.837 0.00 . . . . . . A 12 GLY C . 31043 1 102 . 1 . 1 12 12 GLY CA C 13 45.268 0.04 . . . . . . A 12 GLY CA . 31043 1 103 . 1 . 1 12 12 GLY N N 15 111.073 0.04 . . . . . . A 12 GLY N . 31043 1 104 . 1 . 1 13 13 GLU H H 1 8.200 0.00 . . . . . . A 13 GLU H . 31043 1 105 . 1 . 1 13 13 GLU HA H 1 4.623 0.01 . . . . . . A 13 GLU HA . 31043 1 106 . 1 . 1 13 13 GLU HB2 H 1 2.070 0.01 . . . . . . A 13 GLU HB2 . 31043 1 107 . 1 . 1 13 13 GLU HB3 H 1 1.901 0.00 . . . . . . A 13 GLU HB3 . 31043 1 108 . 1 . 1 13 13 GLU HG2 H 1 2.303 0.00 . . . . . . A 13 GLU HG2 . 31043 1 109 . 1 . 1 13 13 GLU HG3 H 1 2.303 0.00 . . . . . . A 13 GLU HG3 . 31043 1 110 . 1 . 1 13 13 GLU CA C 13 54.496 0.07 . . . . . . A 13 GLU CA . 31043 1 111 . 1 . 1 13 13 GLU CB C 13 29.608 0.07 . . . . . . A 13 GLU CB . 31043 1 112 . 1 . 1 13 13 GLU CG C 13 36.013 0.05 . . . . . . A 13 GLU CG . 31043 1 113 . 1 . 1 13 13 GLU N N 15 121.588 0.04 . . . . . . A 13 GLU N . 31043 1 114 . 1 . 1 14 14 PRO HA H 1 4.455 0.01 . . . . . . A 14 PRO HA . 31043 1 115 . 1 . 1 14 14 PRO HB2 H 1 2.324 0.01 . . . . . . A 14 PRO HB2 . 31043 1 116 . 1 . 1 14 14 PRO HB3 H 1 1.934 0.01 . . . . . . A 14 PRO HB3 . 31043 1 117 . 1 . 1 14 14 PRO HG2 H 1 2.073 0.00 . . . . . . A 14 PRO HG2 . 31043 1 118 . 1 . 1 14 14 PRO HG3 H 1 2.026 0.00 . . . . . . A 14 PRO HG3 . 31043 1 119 . 1 . 1 14 14 PRO HD2 H 1 3.843 0.01 . . . . . . A 14 PRO HD2 . 31043 1 120 . 1 . 1 14 14 PRO HD3 H 1 3.716 0.01 . . . . . . A 14 PRO HD3 . 31043 1 121 . 1 . 1 14 14 PRO CA C 13 63.362 0.13 . . . . . . A 14 PRO CA . 31043 1 122 . 1 . 1 14 14 PRO CB C 13 32.198 0.07 . . . . . . A 14 PRO CB . 31043 1 123 . 1 . 1 14 14 PRO CG C 13 27.498 0.07 . . . . . . A 14 PRO CG . 31043 1 124 . 1 . 1 14 14 PRO CD C 13 50.741 0.03 . . . . . . A 14 PRO CD . 31043 1 125 . 1 . 1 15 15 GLN H H 1 8.631 0.00 . . . . . . A 15 GLN H . 31043 1 126 . 1 . 1 15 15 GLN HA H 1 4.395 0.01 . . . . . . A 15 GLN HA . 31043 1 127 . 1 . 1 15 15 GLN HB2 H 1 2.177 0.00 . . . . . . A 15 GLN HB2 . 31043 1 128 . 1 . 1 15 15 GLN HB3 H 1 2.032 0.01 . . . . . . A 15 GLN HB3 . 31043 1 129 . 1 . 1 15 15 GLN HG2 H 1 2.435 0.00 . . . . . . A 15 GLN HG2 . 31043 1 130 . 1 . 1 15 15 GLN HG3 H 1 2.435 0.00 . . . . . . A 15 GLN HG3 . 31043 1 131 . 1 . 1 15 15 GLN HE21 H 1 7.610 0.00 . . . . . . A 15 GLN HE21 . 31043 1 132 . 1 . 1 15 15 GLN HE22 H 1 6.905 0.00 . . . . . . A 15 GLN HE22 . 31043 1 133 . 1 . 1 15 15 GLN C C 13 176.211 0.00 . . . . . . A 15 GLN C . 31043 1 134 . 1 . 1 15 15 GLN CA C 13 55.751 0.07 . . . . . . A 15 GLN CA . 31043 1 135 . 1 . 1 15 15 GLN CB C 13 29.603 0.06 . . . . . . A 15 GLN CB . 31043 1 136 . 1 . 1 15 15 GLN CG C 13 33.943 0.05 . . . . . . A 15 GLN CG . 31043 1 137 . 1 . 1 15 15 GLN N N 15 120.736 0.03 . . . . . . A 15 GLN N . 31043 1 138 . 1 . 1 15 15 GLN NE2 N 15 113.070 0.01 . . . . . . A 15 GLN NE2 . 31043 1 139 . 1 . 1 16 16 SER H H 1 8.406 0.00 . . . . . . A 16 SER H . 31043 1 140 . 1 . 1 16 16 SER HA H 1 4.458 0.01 . . . . . . A 16 SER HA . 31043 1 141 . 1 . 1 16 16 SER HB2 H 1 3.920 0.02 . . . . . . A 16 SER HB2 . 31043 1 142 . 1 . 1 16 16 SER HB3 H 1 3.915 0.02 . . . . . . A 16 SER HB3 . 31043 1 143 . 1 . 1 16 16 SER C C 13 174.519 0.00 . . . . . . A 16 SER C . 31043 1 144 . 1 . 1 16 16 SER CA C 13 58.627 0.09 . . . . . . A 16 SER CA . 31043 1 145 . 1 . 1 16 16 SER CB C 13 63.929 0.05 . . . . . . A 16 SER CB . 31043 1 146 . 1 . 1 16 16 SER N N 15 117.196 0.02 . . . . . . A 16 SER N . 31043 1 147 . 1 . 1 17 17 ASP H H 1 8.499 0.00 . . . . . . A 17 ASP H . 31043 1 148 . 1 . 1 17 17 ASP HA H 1 4.637 0.01 . . . . . . A 17 ASP HA . 31043 1 149 . 1 . 1 17 17 ASP HB2 H 1 2.716 0.01 . . . . . . A 17 ASP HB2 . 31043 1 150 . 1 . 1 17 17 ASP HB3 H 1 2.690 0.01 . . . . . . A 17 ASP HB3 . 31043 1 151 . 1 . 1 17 17 ASP C C 13 176.288 0.00 . . . . . . A 17 ASP C . 31043 1 152 . 1 . 1 17 17 ASP CA C 13 54.751 0.07 . . . . . . A 17 ASP CA . 31043 1 153 . 1 . 1 17 17 ASP CB C 13 41.097 0.07 . . . . . . A 17 ASP CB . 31043 1 154 . 1 . 1 17 17 ASP N N 15 122.346 0.04 . . . . . . A 17 ASP N . 31043 1 155 . 1 . 1 18 18 ASP H H 1 8.291 0.00 . . . . . . A 18 ASP H . 31043 1 156 . 1 . 1 18 18 ASP HA H 1 4.636 0.01 . . . . . . A 18 ASP HA . 31043 1 157 . 1 . 1 18 18 ASP HB2 H 1 2.763 0.02 . . . . . . A 18 ASP HB2 . 31043 1 158 . 1 . 1 18 18 ASP HB3 H 1 2.689 0.01 . . . . . . A 18 ASP HB3 . 31043 1 159 . 1 . 1 18 18 ASP C C 13 177.164 0.00 . . . . . . A 18 ASP C . 31043 1 160 . 1 . 1 18 18 ASP CA C 13 54.797 0.11 . . . . . . A 18 ASP CA . 31043 1 161 . 1 . 1 18 18 ASP CB C 13 41.123 0.07 . . . . . . A 18 ASP CB . 31043 1 162 . 1 . 1 18 18 ASP N N 15 120.880 0.03 . . . . . . A 18 ASP N . 31043 1 163 . 1 . 1 19 19 ILE H H 1 8.113 0.00 . . . . . . A 19 ILE H . 31043 1 164 . 1 . 1 19 19 ILE HA H 1 4.027 0.01 . . . . . . A 19 ILE HA . 31043 1 165 . 1 . 1 19 19 ILE HB H 1 1.992 0.00 . . . . . . A 19 ILE HB . 31043 1 166 . 1 . 1 19 19 ILE HG12 H 1 1.546 0.00 . . . . . . A 19 ILE HG12 . 31043 1 167 . 1 . 1 19 19 ILE HG13 H 1 1.271 0.01 . . . . . . A 19 ILE HG13 . 31043 1 168 . 1 . 1 19 19 ILE HG21 H 1 0.961 0.00 . . . . . . A 19 ILE HG21 . 31043 1 169 . 1 . 1 19 19 ILE HG22 H 1 0.961 0.00 . . . . . . A 19 ILE HG22 . 31043 1 170 . 1 . 1 19 19 ILE HG23 H 1 0.961 0.00 . . . . . . A 19 ILE HG23 . 31043 1 171 . 1 . 1 19 19 ILE HD11 H 1 0.914 0.01 . . . . . . A 19 ILE HD11 . 31043 1 172 . 1 . 1 19 19 ILE HD12 H 1 0.914 0.01 . . . . . . A 19 ILE HD12 . 31043 1 173 . 1 . 1 19 19 ILE HD13 H 1 0.914 0.01 . . . . . . A 19 ILE HD13 . 31043 1 174 . 1 . 1 19 19 ILE C C 13 177.744 0.00 . . . . . . A 19 ILE C . 31043 1 175 . 1 . 1 19 19 ILE CA C 13 63.124 0.11 . . . . . . A 19 ILE CA . 31043 1 176 . 1 . 1 19 19 ILE CB C 13 38.224 0.02 . . . . . . A 19 ILE CB . 31043 1 177 . 1 . 1 19 19 ILE CG1 C 13 28.006 0.07 . . . . . . A 19 ILE CG1 . 31043 1 178 . 1 . 1 19 19 ILE CG2 C 13 17.589 0.04 . . . . . . A 19 ILE CG2 . 31043 1 179 . 1 . 1 19 19 ILE CD1 C 13 13.054 0.12 . . . . . . A 19 ILE CD1 . 31043 1 180 . 1 . 1 19 19 ILE N N 15 121.978 0.05 . . . . . . A 19 ILE N . 31043 1 181 . 1 . 1 20 20 GLU H H 1 8.394 0.00 . . . . . . A 20 GLU H . 31043 1 182 . 1 . 1 20 20 GLU HA H 1 4.203 0.00 . . . . . . A 20 GLU HA . 31043 1 183 . 1 . 1 20 20 GLU HB2 H 1 2.079 0.01 . . . . . . A 20 GLU HB2 . 31043 1 184 . 1 . 1 20 20 GLU HB3 H 1 2.077 0.01 . . . . . . A 20 GLU HB3 . 31043 1 185 . 1 . 1 20 20 GLU HG2 H 1 2.344 0.00 . . . . . . A 20 GLU HG2 . 31043 1 186 . 1 . 1 20 20 GLU HG3 H 1 2.341 0.00 . . . . . . A 20 GLU HG3 . 31043 1 187 . 1 . 1 20 20 GLU C C 13 178.100 0.00 . . . . . . A 20 GLU C . 31043 1 188 . 1 . 1 20 20 GLU CA C 13 58.389 0.08 . . . . . . A 20 GLU CA . 31043 1 189 . 1 . 1 20 20 GLU CB C 13 29.485 0.10 . . . . . . A 20 GLU CB . 31043 1 190 . 1 . 1 20 20 GLU CG C 13 36.096 0.05 . . . . . . A 20 GLU CG . 31043 1 191 . 1 . 1 20 20 GLU N N 15 122.896 0.03 . . . . . . A 20 GLU N . 31043 1 192 . 1 . 1 21 21 ALA H H 1 8.282 0.00 . . . . . . A 21 ALA H . 31043 1 193 . 1 . 1 21 21 ALA HA H 1 4.226 0.01 . . . . . . A 21 ALA HA . 31043 1 194 . 1 . 1 21 21 ALA HB1 H 1 1.496 0.00 . . . . . . A 21 ALA HB1 . 31043 1 195 . 1 . 1 21 21 ALA HB2 H 1 1.496 0.00 . . . . . . A 21 ALA HB2 . 31043 1 196 . 1 . 1 21 21 ALA HB3 H 1 1.496 0.00 . . . . . . A 21 ALA HB3 . 31043 1 197 . 1 . 1 21 21 ALA C C 13 180.058 0.00 . . . . . . A 21 ALA C . 31043 1 198 . 1 . 1 21 21 ALA CA C 13 54.628 0.03 . . . . . . A 21 ALA CA . 31043 1 199 . 1 . 1 21 21 ALA CB C 13 18.572 0.07 . . . . . . A 21 ALA CB . 31043 1 200 . 1 . 1 21 21 ALA N N 15 122.772 0.03 . . . . . . A 21 ALA N . 31043 1 201 . 1 . 1 22 22 SER H H 1 8.162 0.00 . . . . . . A 22 SER H . 31043 1 202 . 1 . 1 22 22 SER HA H 1 4.323 0.01 . . . . . . A 22 SER HA . 31043 1 203 . 1 . 1 22 22 SER HB2 H 1 4.069 0.00 . . . . . . A 22 SER HB2 . 31043 1 204 . 1 . 1 22 22 SER HB3 H 1 4.006 0.00 . . . . . . A 22 SER HB3 . 31043 1 205 . 1 . 1 22 22 SER C C 13 176.385 0.00 . . . . . . A 22 SER C . 31043 1 206 . 1 . 1 22 22 SER CA C 13 60.637 0.05 . . . . . . A 22 SER CA . 31043 1 207 . 1 . 1 22 22 SER CB C 13 63.164 0.09 . . . . . . A 22 SER CB . 31043 1 208 . 1 . 1 22 22 SER N N 15 113.939 0.03 . . . . . . A 22 SER N . 31043 1 209 . 1 . 1 23 23 ARG H H 1 8.201 0.00 . . . . . . A 23 ARG H . 31043 1 210 . 1 . 1 23 23 ARG HA H 1 4.113 0.01 . . . . . . A 23 ARG HA . 31043 1 211 . 1 . 1 23 23 ARG HB2 H 1 1.975 0.00 . . . . . . A 23 ARG HB2 . 31043 1 212 . 1 . 1 23 23 ARG HB3 H 1 1.975 0.00 . . . . . . A 23 ARG HB3 . 31043 1 213 . 1 . 1 23 23 ARG HG2 H 1 1.802 0.01 . . . . . . A 23 ARG HG2 . 31043 1 214 . 1 . 1 23 23 ARG HG3 H 1 1.660 0.01 . . . . . . A 23 ARG HG3 . 31043 1 215 . 1 . 1 23 23 ARG HD2 H 1 3.233 0.01 . . . . . . A 23 ARG HD2 . 31043 1 216 . 1 . 1 23 23 ARG HD3 H 1 3.233 0.01 . . . . . . A 23 ARG HD3 . 31043 1 217 . 1 . 1 23 23 ARG C C 13 178.799 0.00 . . . . . . A 23 ARG C . 31043 1 218 . 1 . 1 23 23 ARG CA C 13 59.175 0.08 . . . . . . A 23 ARG CA . 31043 1 219 . 1 . 1 23 23 ARG CB C 13 30.171 0.06 . . . . . . A 23 ARG CB . 31043 1 220 . 1 . 1 23 23 ARG CG C 13 27.391 0.08 . . . . . . A 23 ARG CG . 31043 1 221 . 1 . 1 23 23 ARG CD C 13 43.560 0.04 . . . . . . A 23 ARG CD . 31043 1 222 . 1 . 1 23 23 ARG N N 15 123.026 0.05 . . . . . . A 23 ARG N . 31043 1 223 . 1 . 1 24 24 MET H H 1 8.252 0.00 . . . . . . A 24 MET H . 31043 1 224 . 1 . 1 24 24 MET HA H 1 4.334 0.01 . . . . . . A 24 MET HA . 31043 1 225 . 1 . 1 24 24 MET HB2 H 1 2.189 0.01 . . . . . . A 24 MET HB2 . 31043 1 226 . 1 . 1 24 24 MET HB3 H 1 2.189 0.01 . . . . . . A 24 MET HB3 . 31043 1 227 . 1 . 1 24 24 MET HG2 H 1 2.766 0.01 . . . . . . A 24 MET HG2 . 31043 1 228 . 1 . 1 24 24 MET HG3 H 1 2.633 0.01 . . . . . . A 24 MET HG3 . 31043 1 229 . 1 . 1 24 24 MET HE1 H 1 2.120 0.00 . . . . . . A 24 MET HE1 . 31043 1 230 . 1 . 1 24 24 MET HE2 H 1 2.120 0.00 . . . . . . A 24 MET HE2 . 31043 1 231 . 1 . 1 24 24 MET HE3 H 1 2.120 0.00 . . . . . . A 24 MET HE3 . 31043 1 232 . 1 . 1 24 24 MET C C 13 178.348 0.00 . . . . . . A 24 MET C . 31043 1 233 . 1 . 1 24 24 MET CA C 13 57.807 0.03 . . . . . . A 24 MET CA . 31043 1 234 . 1 . 1 24 24 MET CB C 13 32.324 0.03 . . . . . . A 24 MET CB . 31043 1 235 . 1 . 1 24 24 MET CG C 13 32.309 0.02 . . . . . . A 24 MET CG . 31043 1 236 . 1 . 1 24 24 MET CE C 13 17.093 0.00 . . . . . . A 24 MET CE . 31043 1 237 . 1 . 1 24 24 MET N N 15 118.982 0.03 . . . . . . A 24 MET N . 31043 1 238 . 1 . 1 25 25 LYS H H 1 8.079 0.01 . . . . . . A 25 LYS H . 31043 1 239 . 1 . 1 25 25 LYS HA H 1 4.228 0.01 . . . . . . A 25 LYS HA . 31043 1 240 . 1 . 1 25 25 LYS HB2 H 1 1.985 0.01 . . . . . . A 25 LYS HB2 . 31043 1 241 . 1 . 1 25 25 LYS HB3 H 1 1.983 0.01 . . . . . . A 25 LYS HB3 . 31043 1 242 . 1 . 1 25 25 LYS HG2 H 1 1.646 0.01 . . . . . . A 25 LYS HG2 . 31043 1 243 . 1 . 1 25 25 LYS HG3 H 1 1.505 0.01 . . . . . . A 25 LYS HG3 . 31043 1 244 . 1 . 1 25 25 LYS HD2 H 1 1.761 0.01 . . . . . . A 25 LYS HD2 . 31043 1 245 . 1 . 1 25 25 LYS HD3 H 1 1.754 0.01 . . . . . . A 25 LYS HD3 . 31043 1 246 . 1 . 1 25 25 LYS HE2 H 1 3.025 0.00 . . . . . . A 25 LYS HE2 . 31043 1 247 . 1 . 1 25 25 LYS HE3 H 1 3.024 0.00 . . . . . . A 25 LYS HE3 . 31043 1 248 . 1 . 1 25 25 LYS C C 13 178.867 0.00 . . . . . . A 25 LYS C . 31043 1 249 . 1 . 1 25 25 LYS CA C 13 58.712 0.12 . . . . . . A 25 LYS CA . 31043 1 250 . 1 . 1 25 25 LYS CB C 13 32.689 0.09 . . . . . . A 25 LYS CB . 31043 1 251 . 1 . 1 25 25 LYS CG C 13 25.370 0.10 . . . . . . A 25 LYS CG . 31043 1 252 . 1 . 1 25 25 LYS CD C 13 29.250 0.07 . . . . . . A 25 LYS CD . 31043 1 253 . 1 . 1 25 25 LYS CE C 13 42.221 0.08 . . . . . . A 25 LYS CE . 31043 1 254 . 1 . 1 25 25 LYS N N 15 121.139 0.06 . . . . . . A 25 LYS N . 31043 1 255 . 1 . 1 26 26 ARG H H 1 8.124 0.00 . . . . . . A 26 ARG H . 31043 1 256 . 1 . 1 26 26 ARG HA H 1 4.229 0.01 . . . . . . A 26 ARG HA . 31043 1 257 . 1 . 1 26 26 ARG HB2 H 1 1.941 0.01 . . . . . . A 26 ARG HB2 . 31043 1 258 . 1 . 1 26 26 ARG HB3 H 1 1.941 0.01 . . . . . . A 26 ARG HB3 . 31043 1 259 . 1 . 1 26 26 ARG HG2 H 1 1.666 0.00 . . . . . . A 26 ARG HG2 . 31043 1 260 . 1 . 1 26 26 ARG HG3 H 1 1.666 0.00 . . . . . . A 26 ARG HG3 . 31043 1 261 . 1 . 1 26 26 ARG HD2 H 1 3.244 0.01 . . . . . . A 26 ARG HD2 . 31043 1 262 . 1 . 1 26 26 ARG HD3 H 1 3.247 0.02 . . . . . . A 26 ARG HD3 . 31043 1 263 . 1 . 1 26 26 ARG C C 13 178.237 0.00 . . . . . . A 26 ARG C . 31043 1 264 . 1 . 1 26 26 ARG CA C 13 58.623 0.09 . . . . . . A 26 ARG CA . 31043 1 265 . 1 . 1 26 26 ARG CB C 13 30.477 0.06 . . . . . . A 26 ARG CB . 31043 1 266 . 1 . 1 26 26 ARG CG C 13 27.462 0.09 . . . . . . A 26 ARG CG . 31043 1 267 . 1 . 1 26 26 ARG CD C 13 43.536 0.04 . . . . . . A 26 ARG CD . 31043 1 268 . 1 . 1 26 26 ARG N N 15 120.421 0.03 . . . . . . A 26 ARG N . 31043 1 269 . 1 . 1 27 27 ALA H H 1 8.213 0.00 . . . . . . A 27 ALA H . 31043 1 270 . 1 . 1 27 27 ALA HA H 1 4.153 0.01 . . . . . . A 27 ALA HA . 31043 1 271 . 1 . 1 27 27 ALA HB1 H 1 1.500 0.00 . . . . . . A 27 ALA HB1 . 31043 1 272 . 1 . 1 27 27 ALA HB2 H 1 1.500 0.00 . . . . . . A 27 ALA HB2 . 31043 1 273 . 1 . 1 27 27 ALA HB3 H 1 1.500 0.00 . . . . . . A 27 ALA HB3 . 31043 1 274 . 1 . 1 27 27 ALA C C 13 179.580 0.00 . . . . . . A 27 ALA C . 31043 1 275 . 1 . 1 27 27 ALA CA C 13 54.706 0.03 . . . . . . A 27 ALA CA . 31043 1 276 . 1 . 1 27 27 ALA CB C 13 18.456 0.18 . . . . . . A 27 ALA CB . 31043 1 277 . 1 . 1 27 27 ALA N N 15 122.918 0.07 . . . . . . A 27 ALA N . 31043 1 278 . 1 . 1 28 28 ALA H H 1 8.116 0.01 . . . . . . A 28 ALA H . 31043 1 279 . 1 . 1 28 28 ALA HA H 1 4.281 0.01 . . . . . . A 28 ALA HA . 31043 1 280 . 1 . 1 28 28 ALA HB1 H 1 1.579 0.00 . . . . . . A 28 ALA HB1 . 31043 1 281 . 1 . 1 28 28 ALA HB2 H 1 1.579 0.00 . . . . . . A 28 ALA HB2 . 31043 1 282 . 1 . 1 28 28 ALA HB3 H 1 1.579 0.00 . . . . . . A 28 ALA HB3 . 31043 1 283 . 1 . 1 28 28 ALA C C 13 179.974 0.00 . . . . . . A 28 ALA C . 31043 1 284 . 1 . 1 28 28 ALA CA C 13 54.615 0.08 . . . . . . A 28 ALA CA . 31043 1 285 . 1 . 1 28 28 ALA CB C 13 18.444 0.17 . . . . . . A 28 ALA CB . 31043 1 286 . 1 . 1 28 28 ALA N N 15 121.277 0.03 . . . . . . A 28 ALA N . 31043 1 287 . 1 . 1 29 29 ALA H H 1 7.892 0.00 . . . . . . A 29 ALA H . 31043 1 288 . 1 . 1 29 29 ALA HA H 1 4.099 0.01 . . . . . . A 29 ALA HA . 31043 1 289 . 1 . 1 29 29 ALA HB1 H 1 1.429 0.00 . . . . . . A 29 ALA HB1 . 31043 1 290 . 1 . 1 29 29 ALA HB2 H 1 1.429 0.00 . . . . . . A 29 ALA HB2 . 31043 1 291 . 1 . 1 29 29 ALA HB3 H 1 1.429 0.00 . . . . . . A 29 ALA HB3 . 31043 1 292 . 1 . 1 29 29 ALA C C 13 178.618 0.00 . . . . . . A 29 ALA C . 31043 1 293 . 1 . 1 29 29 ALA CA C 13 55.237 0.07 . . . . . . A 29 ALA CA . 31043 1 294 . 1 . 1 29 29 ALA CB C 13 18.285 0.17 . . . . . . A 29 ALA CB . 31043 1 295 . 1 . 1 29 29 ALA N N 15 121.859 0.03 . . . . . . A 29 ALA N . 31043 1 296 . 1 . 1 30 30 LYS H H 1 7.989 0.00 . . . . . . A 30 LYS H . 31043 1 297 . 1 . 1 30 30 LYS HA H 1 3.844 0.01 . . . . . . A 30 LYS HA . 31043 1 298 . 1 . 1 30 30 LYS HB2 H 1 1.854 0.01 . . . . . . A 30 LYS HB2 . 31043 1 299 . 1 . 1 30 30 LYS HB3 H 1 1.855 0.01 . . . . . . A 30 LYS HB3 . 31043 1 300 . 1 . 1 30 30 LYS HG2 H 1 1.470 0.01 . . . . . . A 30 LYS HG2 . 31043 1 301 . 1 . 1 30 30 LYS HG3 H 1 1.345 0.01 . . . . . . A 30 LYS HG3 . 31043 1 302 . 1 . 1 30 30 LYS HD2 H 1 1.660 0.01 . . . . . . A 30 LYS HD2 . 31043 1 303 . 1 . 1 30 30 LYS HD3 H 1 1.658 0.01 . . . . . . A 30 LYS HD3 . 31043 1 304 . 1 . 1 30 30 LYS HE2 H 1 2.960 0.01 . . . . . . A 30 LYS HE2 . 31043 1 305 . 1 . 1 30 30 LYS HE3 H 1 2.964 0.01 . . . . . . A 30 LYS HE3 . 31043 1 306 . 1 . 1 30 30 LYS C C 13 178.895 0.00 . . . . . . A 30 LYS C . 31043 1 307 . 1 . 1 30 30 LYS CA C 13 59.745 0.08 . . . . . . A 30 LYS CA . 31043 1 308 . 1 . 1 30 30 LYS CB C 13 32.349 0.07 . . . . . . A 30 LYS CB . 31043 1 309 . 1 . 1 30 30 LYS CG C 13 25.016 0.10 . . . . . . A 30 LYS CG . 31043 1 310 . 1 . 1 30 30 LYS CD C 13 29.405 0.05 . . . . . . A 30 LYS CD . 31043 1 311 . 1 . 1 30 30 LYS CE C 13 42.106 0.05 . . . . . . A 30 LYS CE . 31043 1 312 . 1 . 1 30 30 LYS N N 15 116.750 0.02 . . . . . . A 30 LYS N . 31043 1 313 . 1 . 1 31 31 HIS H H 1 8.046 0.01 . . . . . . A 31 HIS H . 31043 1 314 . 1 . 1 31 31 HIS HA H 1 4.576 0.01 . . . . . . A 31 HIS HA . 31043 1 315 . 1 . 1 31 31 HIS HB2 H 1 3.349 0.01 . . . . . . A 31 HIS HB2 . 31043 1 316 . 1 . 1 31 31 HIS HB3 H 1 3.326 0.01 . . . . . . A 31 HIS HB3 . 31043 1 317 . 1 . 1 31 31 HIS C C 13 177.160 0.00 . . . . . . A 31 HIS C . 31043 1 318 . 1 . 1 31 31 HIS CA C 13 58.296 0.06 . . . . . . A 31 HIS CA . 31043 1 319 . 1 . 1 31 31 HIS CB C 13 28.574 0.09 . . . . . . A 31 HIS CB . 31043 1 320 . 1 . 1 31 31 HIS N N 15 115.998 0.06 . . . . . . A 31 HIS N . 31043 1 321 . 1 . 1 32 32 LEU H H 1 7.983 0.01 . . . . . . A 32 LEU H . 31043 1 322 . 1 . 1 32 32 LEU HA H 1 4.076 0.01 . . . . . . A 32 LEU HA . 31043 1 323 . 1 . 1 32 32 LEU HB2 H 1 2.063 0.01 . . . . . . A 32 LEU HB2 . 31043 1 324 . 1 . 1 32 32 LEU HB3 H 1 1.824 0.01 . . . . . . A 32 LEU HB3 . 31043 1 325 . 1 . 1 32 32 LEU HG H 1 1.913 0.01 . . . . . . A 32 LEU HG . 31043 1 326 . 1 . 1 32 32 LEU HD11 H 1 1.148 0.00 . . . . . . A 32 LEU HD11 . 31043 1 327 . 1 . 1 32 32 LEU HD12 H 1 1.148 0.00 . . . . . . A 32 LEU HD12 . 31043 1 328 . 1 . 1 32 32 LEU HD13 H 1 1.148 0.00 . . . . . . A 32 LEU HD13 . 31043 1 329 . 1 . 1 32 32 LEU HD21 H 1 1.078 0.00 . . . . . . A 32 LEU HD21 . 31043 1 330 . 1 . 1 32 32 LEU HD22 H 1 1.078 0.00 . . . . . . A 32 LEU HD22 . 31043 1 331 . 1 . 1 32 32 LEU HD23 H 1 1.078 0.00 . . . . . . A 32 LEU HD23 . 31043 1 332 . 1 . 1 32 32 LEU C C 13 178.658 0.00 . . . . . . A 32 LEU C . 31043 1 333 . 1 . 1 32 32 LEU CA C 13 58.359 0.08 . . . . . . A 32 LEU CA . 31043 1 334 . 1 . 1 32 32 LEU CB C 13 42.172 0.10 . . . . . . A 32 LEU CB . 31043 1 335 . 1 . 1 32 32 LEU CG C 13 27.594 0.15 . . . . . . A 32 LEU CG . 31043 1 336 . 1 . 1 32 32 LEU CD1 C 13 25.245 0.06 . . . . . . A 32 LEU CD1 . 31043 1 337 . 1 . 1 32 32 LEU CD2 C 13 24.274 0.08 . . . . . . A 32 LEU CD2 . 31043 1 338 . 1 . 1 32 32 LEU N N 15 121.339 0.02 . . . . . . A 32 LEU N . 31043 1 339 . 1 . 1 33 33 ILE H H 1 8.592 0.00 . . . . . . A 33 ILE H . 31043 1 340 . 1 . 1 33 33 ILE HA H 1 3.749 0.01 . . . . . . A 33 ILE HA . 31043 1 341 . 1 . 1 33 33 ILE HB H 1 1.754 0.01 . . . . . . A 33 ILE HB . 31043 1 342 . 1 . 1 33 33 ILE HG12 H 1 1.351 0.01 . . . . . . A 33 ILE HG12 . 31043 1 343 . 1 . 1 33 33 ILE HG13 H 1 0.638 0.01 . . . . . . A 33 ILE HG13 . 31043 1 344 . 1 . 1 33 33 ILE HG21 H 1 0.868 0.00 . . . . . . A 33 ILE HG21 . 31043 1 345 . 1 . 1 33 33 ILE HG22 H 1 0.868 0.00 . . . . . . A 33 ILE HG22 . 31043 1 346 . 1 . 1 33 33 ILE HG23 H 1 0.868 0.00 . . . . . . A 33 ILE HG23 . 31043 1 347 . 1 . 1 33 33 ILE HD11 H 1 0.515 0.01 . . . . . . A 33 ILE HD11 . 31043 1 348 . 1 . 1 33 33 ILE HD12 H 1 0.515 0.01 . . . . . . A 33 ILE HD12 . 31043 1 349 . 1 . 1 33 33 ILE HD13 H 1 0.515 0.01 . . . . . . A 33 ILE HD13 . 31043 1 350 . 1 . 1 33 33 ILE C C 13 178.303 0.00 . . . . . . A 33 ILE C . 31043 1 351 . 1 . 1 33 33 ILE CA C 13 67.148 0.06 . . . . . . A 33 ILE CA . 31043 1 352 . 1 . 1 33 33 ILE CB C 13 38.068 0.07 . . . . . . A 33 ILE CB . 31043 1 353 . 1 . 1 33 33 ILE CG1 C 13 31.070 0.07 . . . . . . A 33 ILE CG1 . 31043 1 354 . 1 . 1 33 33 ILE CG2 C 13 17.946 0.09 . . . . . . A 33 ILE CG2 . 31043 1 355 . 1 . 1 33 33 ILE CD1 C 13 14.133 0.12 . . . . . . A 33 ILE CD1 . 31043 1 356 . 1 . 1 33 33 ILE N N 15 120.413 0.03 . . . . . . A 33 ILE N . 31043 1 357 . 1 . 1 34 34 GLU H H 1 7.980 0.01 . . . . . . A 34 GLU H . 31043 1 358 . 1 . 1 34 34 GLU HA H 1 4.157 0.01 . . . . . . A 34 GLU HA . 31043 1 359 . 1 . 1 34 34 GLU HB2 H 1 2.134 0.01 . . . . . . A 34 GLU HB2 . 31043 1 360 . 1 . 1 34 34 GLU HB3 H 1 2.300 0.02 . . . . . . A 34 GLU HB3 . 31043 1 361 . 1 . 1 34 34 GLU HG2 H 1 2.514 0.00 . . . . . . A 34 GLU HG2 . 31043 1 362 . 1 . 1 34 34 GLU HG3 H 1 2.331 0.01 . . . . . . A 34 GLU HG3 . 31043 1 363 . 1 . 1 34 34 GLU C C 13 179.535 0.00 . . . . . . A 34 GLU C . 31043 1 364 . 1 . 1 34 34 GLU CA C 13 59.558 0.05 . . . . . . A 34 GLU CA . 31043 1 365 . 1 . 1 34 34 GLU CB C 13 29.159 0.08 . . . . . . A 34 GLU CB . 31043 1 366 . 1 . 1 34 34 GLU CG C 13 36.634 0.07 . . . . . . A 34 GLU CG . 31043 1 367 . 1 . 1 34 34 GLU N N 15 118.397 0.03 . . . . . . A 34 GLU N . 31043 1 368 . 1 . 1 35 35 ARG H H 1 7.970 0.00 . . . . . . A 35 ARG H . 31043 1 369 . 1 . 1 35 35 ARG HA H 1 4.159 0.01 . . . . . . A 35 ARG HA . 31043 1 370 . 1 . 1 35 35 ARG HB2 H 1 2.019 0.02 . . . . . . A 35 ARG HB2 . 31043 1 371 . 1 . 1 35 35 ARG HB3 H 1 1.878 0.02 . . . . . . A 35 ARG HB3 . 31043 1 372 . 1 . 1 35 35 ARG HG2 H 1 1.525 0.01 . . . . . . A 35 ARG HG2 . 31043 1 373 . 1 . 1 35 35 ARG HG3 H 1 1.811 0.01 . . . . . . A 35 ARG HG3 . 31043 1 374 . 1 . 1 35 35 ARG HD2 H 1 3.184 0.01 . . . . . . A 35 ARG HD2 . 31043 1 375 . 1 . 1 35 35 ARG HD3 H 1 2.964 0.01 . . . . . . A 35 ARG HD3 . 31043 1 376 . 1 . 1 35 35 ARG C C 13 180.481 0.00 . . . . . . A 35 ARG C . 31043 1 377 . 1 . 1 35 35 ARG CA C 13 59.894 0.09 . . . . . . A 35 ARG CA . 31043 1 378 . 1 . 1 35 35 ARG CB C 13 29.641 0.08 . . . . . . A 35 ARG CB . 31043 1 379 . 1 . 1 35 35 ARG CG C 13 26.821 0.10 . . . . . . A 35 ARG CG . 31043 1 380 . 1 . 1 35 35 ARG CD C 13 43.599 0.07 . . . . . . A 35 ARG CD . 31043 1 381 . 1 . 1 35 35 ARG N N 15 121.300 0.03 . . . . . . A 35 ARG N . 31043 1 382 . 1 . 1 36 36 TYR H H 1 8.632 0.00 . . . . . . A 36 TYR H . 31043 1 383 . 1 . 1 36 36 TYR HA H 1 4.153 0.01 . . . . . . A 36 TYR HA . 31043 1 384 . 1 . 1 36 36 TYR HB2 H 1 3.337 0.01 . . . . . . A 36 TYR HB2 . 31043 1 385 . 1 . 1 36 36 TYR HB3 H 1 2.988 0.01 . . . . . . A 36 TYR HB3 . 31043 1 386 . 1 . 1 36 36 TYR C C 13 177.932 0.00 . . . . . . A 36 TYR C . 31043 1 387 . 1 . 1 36 36 TYR CA C 13 63.685 0.09 . . . . . . A 36 TYR CA . 31043 1 388 . 1 . 1 36 36 TYR CB C 13 38.765 0.03 . . . . . . A 36 TYR CB . 31043 1 389 . 1 . 1 36 36 TYR N N 15 120.729 0.04 . . . . . . A 36 TYR N . 31043 1 390 . 1 . 1 37 37 TYR H H 1 9.023 0.01 . . . . . . A 37 TYR H . 31043 1 391 . 1 . 1 37 37 TYR HA H 1 4.055 0.01 . . . . . . A 37 TYR HA . 31043 1 392 . 1 . 1 37 37 TYR HB2 H 1 3.249 0.01 . . . . . . A 37 TYR HB2 . 31043 1 393 . 1 . 1 37 37 TYR HB3 H 1 3.032 0.01 . . . . . . A 37 TYR HB3 . 31043 1 394 . 1 . 1 37 37 TYR C C 13 178.827 0.00 . . . . . . A 37 TYR C . 31043 1 395 . 1 . 1 37 37 TYR CA C 13 62.828 0.07 . . . . . . A 37 TYR CA . 31043 1 396 . 1 . 1 37 37 TYR CB C 13 38.340 0.05 . . . . . . A 37 TYR CB . 31043 1 397 . 1 . 1 37 37 TYR N N 15 120.515 0.04 . . . . . . A 37 TYR N . 31043 1 398 . 1 . 1 38 38 HIS H H 1 8.917 0.00 . . . . . . A 38 HIS H . 31043 1 399 . 1 . 1 38 38 HIS HA H 1 4.055 0.01 . . . . . . A 38 HIS HA . 31043 1 400 . 1 . 1 38 38 HIS HB2 H 1 3.478 0.01 . . . . . . A 38 HIS HB2 . 31043 1 401 . 1 . 1 38 38 HIS HB3 H 1 3.445 0.01 . . . . . . A 38 HIS HB3 . 31043 1 402 . 1 . 1 38 38 HIS C C 13 177.094 0.00 . . . . . . A 38 HIS C . 31043 1 403 . 1 . 1 38 38 HIS CA C 13 59.985 0.05 . . . . . . A 38 HIS CA . 31043 1 404 . 1 . 1 38 38 HIS CB C 13 28.349 0.14 . . . . . . A 38 HIS CB . 31043 1 405 . 1 . 1 38 38 HIS N N 15 119.881 0.05 . . . . . . A 38 HIS N . 31043 1 406 . 1 . 1 39 39 GLN H H 1 8.506 0.00 . . . . . . A 39 GLN H . 31043 1 407 . 1 . 1 39 39 GLN HA H 1 3.832 0.01 . . . . . . A 39 GLN HA . 31043 1 408 . 1 . 1 39 39 GLN HB2 H 1 2.332 0.01 . . . . . . A 39 GLN HB2 . 31043 1 409 . 1 . 1 39 39 GLN HB3 H 1 2.572 0.01 . . . . . . A 39 GLN HB3 . 31043 1 410 . 1 . 1 39 39 GLN HG2 H 1 2.935 0.01 . . . . . . A 39 GLN HG2 . 31043 1 411 . 1 . 1 39 39 GLN HG3 H 1 2.764 0.01 . . . . . . A 39 GLN HG3 . 31043 1 412 . 1 . 1 39 39 GLN HE21 H 1 7.359 0.00 . . . . . . A 39 GLN HE21 . 31043 1 413 . 1 . 1 39 39 GLN HE22 H 1 7.288 0.00 . . . . . . A 39 GLN HE22 . 31043 1 414 . 1 . 1 39 39 GLN C C 13 176.348 0.00 . . . . . . A 39 GLN C . 31043 1 415 . 1 . 1 39 39 GLN CA C 13 60.407 0.09 . . . . . . A 39 GLN CA . 31043 1 416 . 1 . 1 39 39 GLN CB C 13 30.721 0.06 . . . . . . A 39 GLN CB . 31043 1 417 . 1 . 1 39 39 GLN CG C 13 35.167 0.09 . . . . . . A 39 GLN CG . 31043 1 418 . 1 . 1 39 39 GLN N N 15 123.440 0.07 . . . . . . A 39 GLN N . 31043 1 419 . 1 . 1 39 39 GLN NE2 N 15 108.499 0.01 . . . . . . A 39 GLN NE2 . 31043 1 420 . 1 . 1 40 40 LEU H H 1 8.038 0.01 . . . . . . A 40 LEU H . 31043 1 421 . 1 . 1 40 40 LEU HA H 1 4.079 0.01 . . . . . . A 40 LEU HA . 31043 1 422 . 1 . 1 40 40 LEU HB2 H 1 1.994 0.01 . . . . . . A 40 LEU HB2 . 31043 1 423 . 1 . 1 40 40 LEU HB3 H 1 1.713 0.01 . . . . . . A 40 LEU HB3 . 31043 1 424 . 1 . 1 40 40 LEU HG H 1 2.108 0.01 . . . . . . A 40 LEU HG . 31043 1 425 . 1 . 1 40 40 LEU HD11 H 1 1.010 0.00 . . . . . . A 40 LEU HD11 . 31043 1 426 . 1 . 1 40 40 LEU HD12 H 1 1.010 0.00 . . . . . . A 40 LEU HD12 . 31043 1 427 . 1 . 1 40 40 LEU HD13 H 1 1.010 0.00 . . . . . . A 40 LEU HD13 . 31043 1 428 . 1 . 1 40 40 LEU HD21 H 1 1.247 0.01 . . . . . . A 40 LEU HD21 . 31043 1 429 . 1 . 1 40 40 LEU HD22 H 1 1.247 0.01 . . . . . . A 40 LEU HD22 . 31043 1 430 . 1 . 1 40 40 LEU HD23 H 1 1.247 0.01 . . . . . . A 40 LEU HD23 . 31043 1 431 . 1 . 1 40 40 LEU C C 13 175.805 0.00 . . . . . . A 40 LEU C . 31043 1 432 . 1 . 1 40 40 LEU CA C 13 56.720 0.19 . . . . . . A 40 LEU CA . 31043 1 433 . 1 . 1 40 40 LEU CB C 13 45.214 0.08 . . . . . . A 40 LEU CB . 31043 1 434 . 1 . 1 40 40 LEU CG C 13 27.035 0.24 . . . . . . A 40 LEU CG . 31043 1 435 . 1 . 1 40 40 LEU CD1 C 13 27.391 0.05 . . . . . . A 40 LEU CD1 . 31043 1 436 . 1 . 1 40 40 LEU CD2 C 13 23.941 0.09 . . . . . . A 40 LEU CD2 . 31043 1 437 . 1 . 1 40 40 LEU N N 15 116.763 0.05 . . . . . . A 40 LEU N . 31043 1 438 . 1 . 1 41 41 THR H H 1 7.241 0.00 . . . . . . A 41 THR H . 31043 1 439 . 1 . 1 41 41 THR HA H 1 4.313 0.01 . . . . . . A 41 THR HA . 31043 1 440 . 1 . 1 41 41 THR HB H 1 3.971 0.01 . . . . . . A 41 THR HB . 31043 1 441 . 1 . 1 41 41 THR HG21 H 1 0.682 0.01 . . . . . . A 41 THR HG21 . 31043 1 442 . 1 . 1 41 41 THR HG22 H 1 0.682 0.01 . . . . . . A 41 THR HG22 . 31043 1 443 . 1 . 1 41 41 THR HG23 H 1 0.682 0.01 . . . . . . A 41 THR HG23 . 31043 1 444 . 1 . 1 41 41 THR C C 13 175.023 0.00 . . . . . . A 41 THR C . 31043 1 445 . 1 . 1 41 41 THR CA C 13 61.789 0.12 . . . . . . A 41 THR CA . 31043 1 446 . 1 . 1 41 41 THR CB C 13 70.512 0.17 . . . . . . A 41 THR CB . 31043 1 447 . 1 . 1 41 41 THR CG2 C 13 21.517 0.10 . . . . . . A 41 THR CG2 . 31043 1 448 . 1 . 1 41 41 THR N N 15 104.747 0.03 . . . . . . A 41 THR N . 31043 1 449 . 1 . 1 42 42 GLU H H 1 8.226 0.00 . . . . . . A 42 GLU H . 31043 1 450 . 1 . 1 42 42 GLU HA H 1 4.318 0.01 . . . . . . A 42 GLU HA . 31043 1 451 . 1 . 1 42 42 GLU HB2 H 1 1.867 0.01 . . . . . . A 42 GLU HB2 . 31043 1 452 . 1 . 1 42 42 GLU HB3 H 1 1.393 0.00 . . . . . . A 42 GLU HB3 . 31043 1 453 . 1 . 1 42 42 GLU HG2 H 1 2.179 0.01 . . . . . . A 42 GLU HG2 . 31043 1 454 . 1 . 1 42 42 GLU HG3 H 1 2.178 0.01 . . . . . . A 42 GLU HG3 . 31043 1 455 . 1 . 1 42 42 GLU C C 13 177.467 0.00 . . . . . . A 42 GLU C . 31043 1 456 . 1 . 1 42 42 GLU CA C 13 57.024 0.11 . . . . . . A 42 GLU CA . 31043 1 457 . 1 . 1 42 42 GLU CB C 13 31.479 0.07 . . . . . . A 42 GLU CB . 31043 1 458 . 1 . 1 42 42 GLU CG C 13 36.256 0.09 . . . . . . A 42 GLU CG . 31043 1 459 . 1 . 1 42 42 GLU N N 15 121.615 0.05 . . . . . . A 42 GLU N . 31043 1 460 . 1 . 1 43 43 GLY H H 1 7.604 0.01 . . . . . . A 43 GLY H . 31043 1 461 . 1 . 1 43 43 GLY HA2 H 1 4.704 0.01 . . . . . . A 43 GLY HA2 . 31043 1 462 . 1 . 1 43 43 GLY HA3 H 1 4.445 0.01 . . . . . . A 43 GLY HA3 . 31043 1 463 . 1 . 1 43 43 GLY C C 13 173.051 0.00 . . . . . . A 43 GLY C . 31043 1 464 . 1 . 1 43 43 GLY CA C 13 44.598 0.08 . . . . . . A 43 GLY CA . 31043 1 465 . 1 . 1 43 43 GLY N N 15 107.468 0.02 . . . . . . A 43 GLY N . 31043 1 466 . 1 . 1 44 44 CYS H H 1 7.563 0.01 . . . . . . A 44 CYS H . 31043 1 467 . 1 . 1 44 44 CYS HA H 1 4.609 0.01 . . . . . . A 44 CYS HA . 31043 1 468 . 1 . 1 44 44 CYS HB2 H 1 3.211 0.01 . . . . . . A 44 CYS HB2 . 31043 1 469 . 1 . 1 44 44 CYS HB3 H 1 2.942 0.01 . . . . . . A 44 CYS HB3 . 31043 1 470 . 1 . 1 44 44 CYS C C 13 177.035 0.00 . . . . . . A 44 CYS C . 31043 1 471 . 1 . 1 44 44 CYS CA C 13 58.456 0.06 . . . . . . A 44 CYS CA . 31043 1 472 . 1 . 1 44 44 CYS CB C 13 31.788 0.08 . . . . . . A 44 CYS CB . 31043 1 473 . 1 . 1 44 44 CYS N N 15 118.103 0.02 . . . . . . A 44 CYS N . 31043 1 474 . 1 . 1 45 45 GLY H H 1 8.734 0.00 . . . . . . A 45 GLY H . 31043 1 475 . 1 . 1 45 45 GLY HA2 H 1 3.622 0.01 . . . . . . A 45 GLY HA2 . 31043 1 476 . 1 . 1 45 45 GLY HA3 H 1 4.285 0.01 . . . . . . A 45 GLY HA3 . 31043 1 477 . 1 . 1 45 45 GLY C C 13 173.661 0.00 . . . . . . A 45 GLY C . 31043 1 478 . 1 . 1 45 45 GLY CA C 13 45.405 0.13 . . . . . . A 45 GLY CA . 31043 1 479 . 1 . 1 45 45 GLY N N 15 112.601 0.03 . . . . . . A 45 GLY N . 31043 1 480 . 1 . 1 46 46 ASN H H 1 8.462 0.00 . . . . . . A 46 ASN H . 31043 1 481 . 1 . 1 46 46 ASN HA H 1 4.694 0.01 . . . . . . A 46 ASN HA . 31043 1 482 . 1 . 1 46 46 ASN HB2 H 1 3.095 0.01 . . . . . . A 46 ASN HB2 . 31043 1 483 . 1 . 1 46 46 ASN HB3 H 1 2.743 0.01 . . . . . . A 46 ASN HB3 . 31043 1 484 . 1 . 1 46 46 ASN HD21 H 1 7.987 0.00 . . . . . . A 46 ASN HD21 . 31043 1 485 . 1 . 1 46 46 ASN HD22 H 1 6.942 0.00 . . . . . . A 46 ASN HD22 . 31043 1 486 . 1 . 1 46 46 ASN C C 13 175.179 0.00 . . . . . . A 46 ASN C . 31043 1 487 . 1 . 1 46 46 ASN CA C 13 52.290 0.08 . . . . . . A 46 ASN CA . 31043 1 488 . 1 . 1 46 46 ASN CB C 13 39.184 0.08 . . . . . . A 46 ASN CB . 31043 1 489 . 1 . 1 46 46 ASN N N 15 121.958 0.09 . . . . . . A 46 ASN N . 31043 1 490 . 1 . 1 46 46 ASN ND2 N 15 112.154 0.06 . . . . . . A 46 ASN ND2 . 31043 1 491 . 1 . 1 47 47 GLU H H 1 8.898 0.00 . . . . . . A 47 GLU H . 31043 1 492 . 1 . 1 47 47 GLU HA H 1 4.253 0.01 . . . . . . A 47 GLU HA . 31043 1 493 . 1 . 1 47 47 GLU HB2 H 1 2.129 0.01 . . . . . . A 47 GLU HB2 . 31043 1 494 . 1 . 1 47 47 GLU HB3 H 1 2.046 0.01 . . . . . . A 47 GLU HB3 . 31043 1 495 . 1 . 1 47 47 GLU HG2 H 1 2.344 0.00 . . . . . . A 47 GLU HG2 . 31043 1 496 . 1 . 1 47 47 GLU HG3 H 1 2.341 0.00 . . . . . . A 47 GLU HG3 . 31043 1 497 . 1 . 1 47 47 GLU C C 13 175.886 0.00 . . . . . . A 47 GLU C . 31043 1 498 . 1 . 1 47 47 GLU CA C 13 58.059 0.08 . . . . . . A 47 GLU CA . 31043 1 499 . 1 . 1 47 47 GLU CB C 13 29.183 0.05 . . . . . . A 47 GLU CB . 31043 1 500 . 1 . 1 47 47 GLU CG C 13 36.110 0.04 . . . . . . A 47 GLU CG . 31043 1 501 . 1 . 1 47 47 GLU N N 15 124.468 0.03 . . . . . . A 47 GLU N . 31043 1 502 . 1 . 1 48 48 ALA H H 1 8.010 0.01 . . . . . . A 48 ALA H . 31043 1 503 . 1 . 1 48 48 ALA HA H 1 4.448 0.01 . . . . . . A 48 ALA HA . 31043 1 504 . 1 . 1 48 48 ALA HB1 H 1 1.337 0.00 . . . . . . A 48 ALA HB1 . 31043 1 505 . 1 . 1 48 48 ALA HB2 H 1 1.337 0.00 . . . . . . A 48 ALA HB2 . 31043 1 506 . 1 . 1 48 48 ALA HB3 H 1 1.337 0.00 . . . . . . A 48 ALA HB3 . 31043 1 507 . 1 . 1 48 48 ALA C C 13 175.887 0.00 . . . . . . A 48 ALA C . 31043 1 508 . 1 . 1 48 48 ALA CA C 13 50.710 0.06 . . . . . . A 48 ALA CA . 31043 1 509 . 1 . 1 48 48 ALA CB C 13 18.554 0.05 . . . . . . A 48 ALA CB . 31043 1 510 . 1 . 1 48 48 ALA N N 15 121.884 0.03 . . . . . . A 48 ALA N . 31043 1 511 . 1 . 1 49 49 CYS H H 1 7.459 0.01 . . . . . . A 49 CYS H . 31043 1 512 . 1 . 1 49 49 CYS HA H 1 3.879 0.01 . . . . . . A 49 CYS HA . 31043 1 513 . 1 . 1 49 49 CYS HB2 H 1 3.044 0.01 . . . . . . A 49 CYS HB2 . 31043 1 514 . 1 . 1 49 49 CYS HB3 H 1 2.347 0.01 . . . . . . A 49 CYS HB3 . 31043 1 515 . 1 . 1 49 49 CYS C C 13 176.110 0.00 . . . . . . A 49 CYS C . 31043 1 516 . 1 . 1 49 49 CYS CA C 13 62.754 0.05 . . . . . . A 49 CYS CA . 31043 1 517 . 1 . 1 49 49 CYS CB C 13 29.882 0.10 . . . . . . A 49 CYS CB . 31043 1 518 . 1 . 1 49 49 CYS N N 15 124.165 0.02 . . . . . . A 49 CYS N . 31043 1 519 . 1 . 1 50 50 THR H H 1 7.931 0.00 . . . . . . A 50 THR H . 31043 1 520 . 1 . 1 50 50 THR HA H 1 4.606 0.01 . . . . . . A 50 THR HA . 31043 1 521 . 1 . 1 50 50 THR HB H 1 4.614 0.00 . . . . . . A 50 THR HB . 31043 1 522 . 1 . 1 50 50 THR HG21 H 1 1.250 0.01 . . . . . . A 50 THR HG21 . 31043 1 523 . 1 . 1 50 50 THR HG22 H 1 1.250 0.01 . . . . . . A 50 THR HG22 . 31043 1 524 . 1 . 1 50 50 THR HG23 H 1 1.250 0.01 . . . . . . A 50 THR HG23 . 31043 1 525 . 1 . 1 50 50 THR C C 13 175.014 0.00 . . . . . . A 50 THR C . 31043 1 526 . 1 . 1 50 50 THR CA C 13 61.141 0.05 . . . . . . A 50 THR CA . 31043 1 527 . 1 . 1 50 50 THR CB C 13 69.929 0.25 . . . . . . A 50 THR CB . 31043 1 528 . 1 . 1 50 50 THR CG2 C 13 21.793 0.05 . . . . . . A 50 THR CG2 . 31043 1 529 . 1 . 1 50 50 THR N N 15 115.494 0.03 . . . . . . A 50 THR N . 31043 1 530 . 1 . 1 51 51 ASN H H 1 9.417 0.00 . . . . . . A 51 ASN H . 31043 1 531 . 1 . 1 51 51 ASN HA H 1 4.517 0.01 . . . . . . A 51 ASN HA . 31043 1 532 . 1 . 1 51 51 ASN HB2 H 1 2.672 0.00 . . . . . . A 51 ASN HB2 . 31043 1 533 . 1 . 1 51 51 ASN HB3 H 1 3.379 0.02 . . . . . . A 51 ASN HB3 . 31043 1 534 . 1 . 1 51 51 ASN HD21 H 1 8.545 0.00 . . . . . . A 51 ASN HD21 . 31043 1 535 . 1 . 1 51 51 ASN HD22 H 1 6.550 0.00 . . . . . . A 51 ASN HD22 . 31043 1 536 . 1 . 1 51 51 ASN C C 13 174.324 0.00 . . . . . . A 51 ASN C . 31043 1 537 . 1 . 1 51 51 ASN CA C 13 53.275 0.08 . . . . . . A 51 ASN CA . 31043 1 538 . 1 . 1 51 51 ASN CB C 13 38.686 0.07 . . . . . . A 51 ASN CB . 31043 1 539 . 1 . 1 51 51 ASN N N 15 127.653 0.04 . . . . . . A 51 ASN N . 31043 1 540 . 1 . 1 51 51 ASN ND2 N 15 114.371 0.03 . . . . . . A 51 ASN ND2 . 31043 1 541 . 1 . 1 52 52 GLU H H 1 8.599 0.00 . . . . . . A 52 GLU H . 31043 1 542 . 1 . 1 52 52 GLU HA H 1 4.085 0.01 . . . . . . A 52 GLU HA . 31043 1 543 . 1 . 1 52 52 GLU HB2 H 1 1.816 0.01 . . . . . . A 52 GLU HB2 . 31043 1 544 . 1 . 1 52 52 GLU HB3 H 1 1.734 0.01 . . . . . . A 52 GLU HB3 . 31043 1 545 . 1 . 1 52 52 GLU HG2 H 1 1.624 0.00 . . . . . . A 52 GLU HG2 . 31043 1 546 . 1 . 1 52 52 GLU HG3 H 1 1.367 0.00 . . . . . . A 52 GLU HG3 . 31043 1 547 . 1 . 1 52 52 GLU C C 13 175.863 0.00 . . . . . . A 52 GLU C . 31043 1 548 . 1 . 1 52 52 GLU CA C 13 58.292 0.07 . . . . . . A 52 GLU CA . 31043 1 549 . 1 . 1 52 52 GLU CB C 13 29.107 0.06 . . . . . . A 52 GLU CB . 31043 1 550 . 1 . 1 52 52 GLU CG C 13 35.118 0.07 . . . . . . A 52 GLU CG . 31043 1 551 . 1 . 1 52 52 GLU N N 15 123.902 0.03 . . . . . . A 52 GLU N . 31043 1 552 . 1 . 1 53 53 PHE H H 1 7.518 0.01 . . . . . . A 53 PHE H . 31043 1 553 . 1 . 1 53 53 PHE HA H 1 4.945 0.01 . . . . . . A 53 PHE HA . 31043 1 554 . 1 . 1 53 53 PHE HB2 H 1 3.692 0.01 . . . . . . A 53 PHE HB2 . 31043 1 555 . 1 . 1 53 53 PHE HB3 H 1 2.709 0.01 . . . . . . A 53 PHE HB3 . 31043 1 556 . 1 . 1 53 53 PHE C C 13 172.117 0.00 . . . . . . A 53 PHE C . 31043 1 557 . 1 . 1 53 53 PHE CA C 13 56.355 0.06 . . . . . . A 53 PHE CA . 31043 1 558 . 1 . 1 53 53 PHE CB C 13 38.254 0.02 . . . . . . A 53 PHE CB . 31043 1 559 . 1 . 1 53 53 PHE N N 15 117.239 0.03 . . . . . . A 53 PHE N . 31043 1 560 . 1 . 1 54 54 CYS H H 1 7.520 0.00 . . . . . . A 54 CYS H . 31043 1 561 . 1 . 1 54 54 CYS HA H 1 4.325 0.01 . . . . . . A 54 CYS HA . 31043 1 562 . 1 . 1 54 54 CYS HB2 H 1 3.381 0.01 . . . . . . A 54 CYS HB2 . 31043 1 563 . 1 . 1 54 54 CYS HB3 H 1 2.452 0.01 . . . . . . A 54 CYS HB3 . 31043 1 564 . 1 . 1 54 54 CYS C C 13 174.530 0.00 . . . . . . A 54 CYS C . 31043 1 565 . 1 . 1 54 54 CYS CA C 13 57.251 0.11 . . . . . . A 54 CYS CA . 31043 1 566 . 1 . 1 54 54 CYS CB C 13 33.435 0.07 . . . . . . A 54 CYS CB . 31043 1 567 . 1 . 1 54 54 CYS N N 15 122.076 0.04 . . . . . . A 54 CYS N . 31043 1 568 . 1 . 1 55 55 ALA H H 1 7.958 0.01 . . . . . . A 55 ALA H . 31043 1 569 . 1 . 1 55 55 ALA HA H 1 3.138 0.01 . . . . . . A 55 ALA HA . 31043 1 570 . 1 . 1 55 55 ALA HB1 H 1 0.726 0.00 . . . . . . A 55 ALA HB1 . 31043 1 571 . 1 . 1 55 55 ALA HB2 H 1 0.726 0.00 . . . . . . A 55 ALA HB2 . 31043 1 572 . 1 . 1 55 55 ALA HB3 H 1 0.726 0.00 . . . . . . A 55 ALA HB3 . 31043 1 573 . 1 . 1 55 55 ALA C C 13 178.799 0.00 . . . . . . A 55 ALA C . 31043 1 574 . 1 . 1 55 55 ALA CA C 13 53.131 0.10 . . . . . . A 55 ALA CA . 31043 1 575 . 1 . 1 55 55 ALA CB C 13 17.037 0.03 . . . . . . A 55 ALA CB . 31043 1 576 . 1 . 1 55 55 ALA N N 15 128.120 0.09 . . . . . . A 55 ALA N . 31043 1 577 . 1 . 1 56 56 SER H H 1 9.626 0.01 . . . . . . A 56 SER H . 31043 1 578 . 1 . 1 56 56 SER HA H 1 4.401 0.01 . . . . . . A 56 SER HA . 31043 1 579 . 1 . 1 56 56 SER HB2 H 1 4.104 0.01 . . . . . . A 56 SER HB2 . 31043 1 580 . 1 . 1 56 56 SER HB3 H 1 4.104 0.01 . . . . . . A 56 SER HB3 . 31043 1 581 . 1 . 1 56 56 SER C C 13 173.517 0.00 . . . . . . A 56 SER C . 31043 1 582 . 1 . 1 56 56 SER CA C 13 60.840 0.11 . . . . . . A 56 SER CA . 31043 1 583 . 1 . 1 56 56 SER CB C 13 63.803 0.07 . . . . . . A 56 SER CB . 31043 1 584 . 1 . 1 56 56 SER N N 15 119.127 0.05 . . . . . . A 56 SER N . 31043 1 585 . 1 . 1 57 57 CYS H H 1 8.087 0.01 . . . . . . A 57 CYS H . 31043 1 586 . 1 . 1 57 57 CYS HA H 1 4.767 0.03 . . . . . . A 57 CYS HA . 31043 1 587 . 1 . 1 57 57 CYS HB2 H 1 3.068 0.01 . . . . . . A 57 CYS HB2 . 31043 1 588 . 1 . 1 57 57 CYS HB3 H 1 3.061 0.01 . . . . . . A 57 CYS HB3 . 31043 1 589 . 1 . 1 57 57 CYS CA C 13 55.822 0.15 . . . . . . A 57 CYS CA . 31043 1 590 . 1 . 1 57 57 CYS CB C 13 27.945 0.09 . . . . . . A 57 CYS CB . 31043 1 591 . 1 . 1 57 57 CYS N N 15 124.798 0.03 . . . . . . A 57 CYS N . 31043 1 592 . 1 . 1 58 58 PRO HA H 1 4.488 0.01 . . . . . . A 58 PRO HA . 31043 1 593 . 1 . 1 58 58 PRO HB2 H 1 2.522 0.01 . . . . . . A 58 PRO HB2 . 31043 1 594 . 1 . 1 58 58 PRO HB3 H 1 2.048 0.01 . . . . . . A 58 PRO HB3 . 31043 1 595 . 1 . 1 58 58 PRO HG2 H 1 2.175 0.01 . . . . . . A 58 PRO HG2 . 31043 1 596 . 1 . 1 58 58 PRO HG3 H 1 2.097 0.00 . . . . . . A 58 PRO HG3 . 31043 1 597 . 1 . 1 58 58 PRO HD2 H 1 4.136 0.01 . . . . . . A 58 PRO HD2 . 31043 1 598 . 1 . 1 58 58 PRO HD3 H 1 4.136 0.01 . . . . . . A 58 PRO HD3 . 31043 1 599 . 1 . 1 58 58 PRO C C 13 177.924 0.00 . . . . . . A 58 PRO C . 31043 1 600 . 1 . 1 58 58 PRO CA C 13 65.310 0.09 . . . . . . A 58 PRO CA . 31043 1 601 . 1 . 1 58 58 PRO CB C 13 32.891 0.07 . . . . . . A 58 PRO CB . 31043 1 602 . 1 . 1 58 58 PRO CG C 13 27.673 0.04 . . . . . . A 58 PRO CG . 31043 1 603 . 1 . 1 58 58 PRO CD C 13 52.093 0.10 . . . . . . A 58 PRO CD . 31043 1 604 . 1 . 1 59 59 THR H H 1 7.602 0.01 . . . . . . A 59 THR H . 31043 1 605 . 1 . 1 59 59 THR HA H 1 4.396 0.01 . . . . . . A 59 THR HA . 31043 1 606 . 1 . 1 59 59 THR HB H 1 4.541 0.01 . . . . . . A 59 THR HB . 31043 1 607 . 1 . 1 59 59 THR HG21 H 1 1.147 0.00 . . . . . . A 59 THR HG21 . 31043 1 608 . 1 . 1 59 59 THR HG22 H 1 1.147 0.00 . . . . . . A 59 THR HG22 . 31043 1 609 . 1 . 1 59 59 THR HG23 H 1 1.147 0.00 . . . . . . A 59 THR HG23 . 31043 1 610 . 1 . 1 59 59 THR C C 13 174.276 0.00 . . . . . . A 59 THR C . 31043 1 611 . 1 . 1 59 59 THR CA C 13 61.144 0.10 . . . . . . A 59 THR CA . 31043 1 612 . 1 . 1 59 59 THR CB C 13 68.207 0.05 . . . . . . A 59 THR CB . 31043 1 613 . 1 . 1 59 59 THR CG2 C 13 21.873 0.06 . . . . . . A 59 THR CG2 . 31043 1 614 . 1 . 1 59 59 THR N N 15 107.123 0.03 . . . . . . A 59 THR N . 31043 1 615 . 1 . 1 60 60 PHE H H 1 7.801 0.00 . . . . . . A 60 PHE H . 31043 1 616 . 1 . 1 60 60 PHE HA H 1 4.293 0.01 . . . . . . A 60 PHE HA . 31043 1 617 . 1 . 1 60 60 PHE HB2 H 1 3.172 0.01 . . . . . . A 60 PHE HB2 . 31043 1 618 . 1 . 1 60 60 PHE HB3 H 1 2.935 0.01 . . . . . . A 60 PHE HB3 . 31043 1 619 . 1 . 1 60 60 PHE C C 13 175.250 0.00 . . . . . . A 60 PHE C . 31043 1 620 . 1 . 1 60 60 PHE CA C 13 58.938 0.05 . . . . . . A 60 PHE CA . 31043 1 621 . 1 . 1 60 60 PHE CB C 13 41.062 0.08 . . . . . . A 60 PHE CB . 31043 1 622 . 1 . 1 60 60 PHE N N 15 124.789 0.03 . . . . . . A 60 PHE N . 31043 1 623 . 1 . 1 61 61 LEU H H 1 7.572 0.00 . . . . . . A 61 LEU H . 31043 1 624 . 1 . 1 61 61 LEU HA H 1 4.391 0.00 . . . . . . A 61 LEU HA . 31043 1 625 . 1 . 1 61 61 LEU HB2 H 1 1.396 0.00 . . . . . . A 61 LEU HB2 . 31043 1 626 . 1 . 1 61 61 LEU HB3 H 1 1.333 0.00 . . . . . . A 61 LEU HB3 . 31043 1 627 . 1 . 1 61 61 LEU HG H 1 1.527 0.01 . . . . . . A 61 LEU HG . 31043 1 628 . 1 . 1 61 61 LEU HD11 H 1 0.888 0.00 . . . . . . A 61 LEU HD11 . 31043 1 629 . 1 . 1 61 61 LEU HD12 H 1 0.888 0.00 . . . . . . A 61 LEU HD12 . 31043 1 630 . 1 . 1 61 61 LEU HD13 H 1 0.888 0.00 . . . . . . A 61 LEU HD13 . 31043 1 631 . 1 . 1 61 61 LEU HD21 H 1 0.819 0.00 . . . . . . A 61 LEU HD21 . 31043 1 632 . 1 . 1 61 61 LEU HD22 H 1 0.819 0.00 . . . . . . A 61 LEU HD22 . 31043 1 633 . 1 . 1 61 61 LEU HD23 H 1 0.819 0.00 . . . . . . A 61 LEU HD23 . 31043 1 634 . 1 . 1 61 61 LEU C C 13 174.370 0.00 . . . . . . A 61 LEU C . 31043 1 635 . 1 . 1 61 61 LEU CA C 13 53.479 0.07 . . . . . . A 61 LEU CA . 31043 1 636 . 1 . 1 61 61 LEU CB C 13 41.496 0.03 . . . . . . A 61 LEU CB . 31043 1 637 . 1 . 1 61 61 LEU CG C 13 26.707 0.04 . . . . . . A 61 LEU CG . 31043 1 638 . 1 . 1 61 61 LEU CD1 C 13 24.758 0.07 . . . . . . A 61 LEU CD1 . 31043 1 639 . 1 . 1 61 61 LEU CD2 C 13 24.135 0.14 . . . . . . A 61 LEU CD2 . 31043 1 640 . 1 . 1 61 61 LEU N N 15 130.812 0.02 . . . . . . A 61 LEU N . 31043 1 641 . 1 . 1 62 62 ARG H H 1 7.999 0.00 . . . . . . A 62 ARG H . 31043 1 642 . 1 . 1 62 62 ARG HA H 1 4.076 0.01 . . . . . . A 62 ARG HA . 31043 1 643 . 1 . 1 62 62 ARG HB2 H 1 1.835 0.01 . . . . . . A 62 ARG HB2 . 31043 1 644 . 1 . 1 62 62 ARG HB3 H 1 1.835 0.00 . . . . . . A 62 ARG HB3 . 31043 1 645 . 1 . 1 62 62 ARG HG2 H 1 1.891 0.01 . . . . . . A 62 ARG HG2 . 31043 1 646 . 1 . 1 62 62 ARG HG3 H 1 1.785 0.01 . . . . . . A 62 ARG HG3 . 31043 1 647 . 1 . 1 62 62 ARG HD2 H 1 3.316 0.00 . . . . . . A 62 ARG HD2 . 31043 1 648 . 1 . 1 62 62 ARG HD3 H 1 3.317 0.00 . . . . . . A 62 ARG HD3 . 31043 1 649 . 1 . 1 62 62 ARG C C 13 175.793 0.00 . . . . . . A 62 ARG C . 31043 1 650 . 1 . 1 62 62 ARG CA C 13 57.465 0.09 . . . . . . A 62 ARG CA . 31043 1 651 . 1 . 1 62 62 ARG CB C 13 30.614 0.04 . . . . . . A 62 ARG CB . 31043 1 652 . 1 . 1 62 62 ARG CG C 13 27.468 0.06 . . . . . . A 62 ARG CG . 31043 1 653 . 1 . 1 62 62 ARG CD C 13 43.248 0.07 . . . . . . A 62 ARG CD . 31043 1 654 . 1 . 1 62 62 ARG N N 15 122.897 0.03 . . . . . . A 62 ARG N . 31043 1 655 . 1 . 1 63 63 MET H H 1 8.488 0.01 . . . . . . A 63 MET H . 31043 1 656 . 1 . 1 63 63 MET HA H 1 4.787 0.01 . . . . . . A 63 MET HA . 31043 1 657 . 1 . 1 63 63 MET HB2 H 1 2.162 0.01 . . . . . . A 63 MET HB2 . 31043 1 658 . 1 . 1 63 63 MET HB3 H 1 2.046 0.01 . . . . . . A 63 MET HB3 . 31043 1 659 . 1 . 1 63 63 MET HG2 H 1 2.709 0.01 . . . . . . A 63 MET HG2 . 31043 1 660 . 1 . 1 63 63 MET HG3 H 1 2.583 0.01 . . . . . . A 63 MET HG3 . 31043 1 661 . 1 . 1 63 63 MET HE1 H 1 2.164 0.00 . . . . . . A 63 MET HE1 . 31043 1 662 . 1 . 1 63 63 MET HE2 H 1 2.164 0.00 . . . . . . A 63 MET HE2 . 31043 1 663 . 1 . 1 63 63 MET HE3 H 1 2.164 0.00 . . . . . . A 63 MET HE3 . 31043 1 664 . 1 . 1 63 63 MET C C 13 175.199 0.00 . . . . . . A 63 MET C . 31043 1 665 . 1 . 1 63 63 MET CA C 13 54.087 0.07 . . . . . . A 63 MET CA . 31043 1 666 . 1 . 1 63 63 MET CB C 13 36.684 0.08 . . . . . . A 63 MET CB . 31043 1 667 . 1 . 1 63 63 MET CG C 13 31.598 0.07 . . . . . . A 63 MET CG . 31043 1 668 . 1 . 1 63 63 MET CE C 13 17.831 0.00 . . . . . . A 63 MET CE . 31043 1 669 . 1 . 1 63 63 MET N N 15 121.009 0.03 . . . . . . A 63 MET N . 31043 1 670 . 1 . 1 64 64 ASP H H 1 8.509 0.00 . . . . . . A 64 ASP H . 31043 1 671 . 1 . 1 64 64 ASP HA H 1 4.680 0.01 . . . . . . A 64 ASP HA . 31043 1 672 . 1 . 1 64 64 ASP HB2 H 1 3.119 0.02 . . . . . . A 64 ASP HB2 . 31043 1 673 . 1 . 1 64 64 ASP HB3 H 1 2.765 0.01 . . . . . . A 64 ASP HB3 . 31043 1 674 . 1 . 1 64 64 ASP C C 13 175.822 0.00 . . . . . . A 64 ASP C . 31043 1 675 . 1 . 1 64 64 ASP CA C 13 53.639 0.09 . . . . . . A 64 ASP CA . 31043 1 676 . 1 . 1 64 64 ASP CB C 13 41.555 0.06 . . . . . . A 64 ASP CB . 31043 1 677 . 1 . 1 64 64 ASP N N 15 120.591 0.04 . . . . . . A 64 ASP N . 31043 1 678 . 1 . 1 65 65 ASN H H 1 8.827 0.00 . . . . . . A 65 ASN H . 31043 1 679 . 1 . 1 65 65 ASN HA H 1 4.409 0.01 . . . . . . A 65 ASN HA . 31043 1 680 . 1 . 1 65 65 ASN HB2 H 1 3.174 0.00 . . . . . . A 65 ASN HB2 . 31043 1 681 . 1 . 1 65 65 ASN HB3 H 1 2.917 0.01 . . . . . . A 65 ASN HB3 . 31043 1 682 . 1 . 1 65 65 ASN HD21 H 1 7.576 0.00 . . . . . . A 65 ASN HD21 . 31043 1 683 . 1 . 1 65 65 ASN HD22 H 1 6.919 0.00 . . . . . . A 65 ASN HD22 . 31043 1 684 . 1 . 1 65 65 ASN C C 13 177.896 0.00 . . . . . . A 65 ASN C . 31043 1 685 . 1 . 1 65 65 ASN CA C 13 56.862 0.04 . . . . . . A 65 ASN CA . 31043 1 686 . 1 . 1 65 65 ASN CB C 13 37.733 0.02 . . . . . . A 65 ASN CB . 31043 1 687 . 1 . 1 65 65 ASN N N 15 118.635 0.03 . . . . . . A 65 ASN N . 31043 1 688 . 1 . 1 65 65 ASN ND2 N 15 110.309 0.00 . . . . . . A 65 ASN ND2 . 31043 1 689 . 1 . 1 66 66 ASN H H 1 8.557 0.00 . . . . . . A 66 ASN H . 31043 1 690 . 1 . 1 66 66 ASN HA H 1 4.559 0.01 . . . . . . A 66 ASN HA . 31043 1 691 . 1 . 1 66 66 ASN HB2 H 1 2.938 0.01 . . . . . . A 66 ASN HB2 . 31043 1 692 . 1 . 1 66 66 ASN HB3 H 1 2.870 0.01 . . . . . . A 66 ASN HB3 . 31043 1 693 . 1 . 1 66 66 ASN HD21 H 1 7.846 0.00 . . . . . . A 66 ASN HD21 . 31043 1 694 . 1 . 1 66 66 ASN HD22 H 1 7.008 0.00 . . . . . . A 66 ASN HD22 . 31043 1 695 . 1 . 1 66 66 ASN C C 13 177.571 0.00 . . . . . . A 66 ASN C . 31043 1 696 . 1 . 1 66 66 ASN CA C 13 56.583 0.06 . . . . . . A 66 ASN CA . 31043 1 697 . 1 . 1 66 66 ASN CB C 13 38.196 0.02 . . . . . . A 66 ASN CB . 31043 1 698 . 1 . 1 66 66 ASN N N 15 119.063 0.03 . . . . . . A 66 ASN N . 31043 1 699 . 1 . 1 66 66 ASN ND2 N 15 113.793 0.00 . . . . . . A 66 ASN ND2 . 31043 1 700 . 1 . 1 67 67 ALA H H 1 8.355 0.00 . . . . . . A 67 ALA H . 31043 1 701 . 1 . 1 67 67 ALA HA H 1 4.217 0.02 . . . . . . A 67 ALA HA . 31043 1 702 . 1 . 1 67 67 ALA HB1 H 1 1.577 0.01 . . . . . . A 67 ALA HB1 . 31043 1 703 . 1 . 1 67 67 ALA HB2 H 1 1.577 0.01 . . . . . . A 67 ALA HB2 . 31043 1 704 . 1 . 1 67 67 ALA HB3 H 1 1.577 0.01 . . . . . . A 67 ALA HB3 . 31043 1 705 . 1 . 1 67 67 ALA C C 13 181.052 0.00 . . . . . . A 67 ALA C . 31043 1 706 . 1 . 1 67 67 ALA CA C 13 54.694 0.10 . . . . . . A 67 ALA CA . 31043 1 707 . 1 . 1 67 67 ALA CB C 13 18.511 0.19 . . . . . . A 67 ALA CB . 31043 1 708 . 1 . 1 67 67 ALA N N 15 123.893 0.03 . . . . . . A 67 ALA N . 31043 1 709 . 1 . 1 68 68 ALA H H 1 8.868 0.00 . . . . . . A 68 ALA H . 31043 1 710 . 1 . 1 68 68 ALA HA H 1 4.330 0.01 . . . . . . A 68 ALA HA . 31043 1 711 . 1 . 1 68 68 ALA HB1 H 1 1.434 0.00 . . . . . . A 68 ALA HB1 . 31043 1 712 . 1 . 1 68 68 ALA HB2 H 1 1.434 0.00 . . . . . . A 68 ALA HB2 . 31043 1 713 . 1 . 1 68 68 ALA HB3 H 1 1.434 0.00 . . . . . . A 68 ALA HB3 . 31043 1 714 . 1 . 1 68 68 ALA C C 13 178.796 0.00 . . . . . . A 68 ALA C . 31043 1 715 . 1 . 1 68 68 ALA CA C 13 55.154 0.08 . . . . . . A 68 ALA CA . 31043 1 716 . 1 . 1 68 68 ALA CB C 13 18.793 0.10 . . . . . . A 68 ALA CB . 31043 1 717 . 1 . 1 68 68 ALA N N 15 121.886 0.04 . . . . . . A 68 ALA N . 31043 1 718 . 1 . 1 69 69 ALA H H 1 8.125 0.01 . . . . . . A 69 ALA H . 31043 1 719 . 1 . 1 69 69 ALA HA H 1 4.184 0.01 . . . . . . A 69 ALA HA . 31043 1 720 . 1 . 1 69 69 ALA HB1 H 1 1.565 0.01 . . . . . . A 69 ALA HB1 . 31043 1 721 . 1 . 1 69 69 ALA HB2 H 1 1.565 0.01 . . . . . . A 69 ALA HB2 . 31043 1 722 . 1 . 1 69 69 ALA HB3 H 1 1.565 0.01 . . . . . . A 69 ALA HB3 . 31043 1 723 . 1 . 1 69 69 ALA C C 13 180.022 0.00 . . . . . . A 69 ALA C . 31043 1 724 . 1 . 1 69 69 ALA CA C 13 55.882 0.10 . . . . . . A 69 ALA CA . 31043 1 725 . 1 . 1 69 69 ALA CB C 13 17.954 0.08 . . . . . . A 69 ALA CB . 31043 1 726 . 1 . 1 69 69 ALA N N 15 121.280 0.03 . . . . . . A 69 ALA N . 31043 1 727 . 1 . 1 70 70 ILE H H 1 7.316 0.01 . . . . . . A 70 ILE H . 31043 1 728 . 1 . 1 70 70 ILE HA H 1 3.845 0.00 . . . . . . A 70 ILE HA . 31043 1 729 . 1 . 1 70 70 ILE HB H 1 1.955 0.01 . . . . . . A 70 ILE HB . 31043 1 730 . 1 . 1 70 70 ILE HG12 H 1 1.731 0.01 . . . . . . A 70 ILE HG12 . 31043 1 731 . 1 . 1 70 70 ILE HG13 H 1 1.259 0.01 . . . . . . A 70 ILE HG13 . 31043 1 732 . 1 . 1 70 70 ILE HG21 H 1 0.982 0.01 . . . . . . A 70 ILE HG21 . 31043 1 733 . 1 . 1 70 70 ILE HG22 H 1 0.982 0.01 . . . . . . A 70 ILE HG22 . 31043 1 734 . 1 . 1 70 70 ILE HG23 H 1 0.982 0.01 . . . . . . A 70 ILE HG23 . 31043 1 735 . 1 . 1 70 70 ILE HD11 H 1 0.880 0.01 . . . . . . A 70 ILE HD11 . 31043 1 736 . 1 . 1 70 70 ILE HD12 H 1 0.880 0.01 . . . . . . A 70 ILE HD12 . 31043 1 737 . 1 . 1 70 70 ILE HD13 H 1 0.880 0.01 . . . . . . A 70 ILE HD13 . 31043 1 738 . 1 . 1 70 70 ILE C C 13 179.124 0.00 . . . . . . A 70 ILE C . 31043 1 739 . 1 . 1 70 70 ILE CA C 13 64.189 0.11 . . . . . . A 70 ILE CA . 31043 1 740 . 1 . 1 70 70 ILE CB C 13 38.661 0.06 . . . . . . A 70 ILE CB . 31043 1 741 . 1 . 1 70 70 ILE CG1 C 13 28.895 0.05 . . . . . . A 70 ILE CG1 . 31043 1 742 . 1 . 1 70 70 ILE CG2 C 13 17.540 0.06 . . . . . . A 70 ILE CG2 . 31043 1 743 . 1 . 1 70 70 ILE CD1 C 13 12.776 0.07 . . . . . . A 70 ILE CD1 . 31043 1 744 . 1 . 1 70 70 ILE N N 15 118.143 0.02 . . . . . . A 70 ILE N . 31043 1 745 . 1 . 1 71 71 LYS H H 1 8.478 0.01 . . . . . . A 71 LYS H . 31043 1 746 . 1 . 1 71 71 LYS HA H 1 4.152 0.00 . . . . . . A 71 LYS HA . 31043 1 747 . 1 . 1 71 71 LYS HB2 H 1 2.087 0.01 . . . . . . A 71 LYS HB2 . 31043 1 748 . 1 . 1 71 71 LYS HB3 H 1 1.902 0.02 . . . . . . A 71 LYS HB3 . 31043 1 749 . 1 . 1 71 71 LYS HG2 H 1 1.467 0.01 . . . . . . A 71 LYS HG2 . 31043 1 750 . 1 . 1 71 71 LYS HG3 H 1 1.467 0.01 . . . . . . A 71 LYS HG3 . 31043 1 751 . 1 . 1 71 71 LYS HD2 H 1 1.770 0.01 . . . . . . A 71 LYS HD2 . 31043 1 752 . 1 . 1 71 71 LYS HD3 H 1 1.710 0.00 . . . . . . A 71 LYS HD3 . 31043 1 753 . 1 . 1 71 71 LYS HE2 H 1 2.943 0.01 . . . . . . A 71 LYS HE2 . 31043 1 754 . 1 . 1 71 71 LYS HE3 H 1 2.697 0.01 . . . . . . A 71 LYS HE3 . 31043 1 755 . 1 . 1 71 71 LYS C C 13 177.855 0.00 . . . . . . A 71 LYS C . 31043 1 756 . 1 . 1 71 71 LYS CA C 13 57.278 0.02 . . . . . . A 71 LYS CA . 31043 1 757 . 1 . 1 71 71 LYS CB C 13 31.516 0.08 . . . . . . A 71 LYS CB . 31043 1 758 . 1 . 1 71 71 LYS CG C 13 24.731 0.09 . . . . . . A 71 LYS CG . 31043 1 759 . 1 . 1 71 71 LYS CD C 13 28.287 0.08 . . . . . . A 71 LYS CD . 31043 1 760 . 1 . 1 71 71 LYS CE C 13 41.975 0.07 . . . . . . A 71 LYS CE . 31043 1 761 . 1 . 1 71 71 LYS N N 15 122.041 0.05 . . . . . . A 71 LYS N . 31043 1 762 . 1 . 1 72 72 ALA H H 1 8.809 0.00 . . . . . . A 72 ALA H . 31043 1 763 . 1 . 1 72 72 ALA HA H 1 3.772 0.00 . . . . . . A 72 ALA HA . 31043 1 764 . 1 . 1 72 72 ALA HB1 H 1 1.728 0.00 . . . . . . A 72 ALA HB1 . 31043 1 765 . 1 . 1 72 72 ALA HB2 H 1 1.728 0.00 . . . . . . A 72 ALA HB2 . 31043 1 766 . 1 . 1 72 72 ALA HB3 H 1 1.728 0.00 . . . . . . A 72 ALA HB3 . 31043 1 767 . 1 . 1 72 72 ALA C C 13 178.364 0.00 . . . . . . A 72 ALA C . 31043 1 768 . 1 . 1 72 72 ALA CA C 13 56.154 0.06 . . . . . . A 72 ALA CA . 31043 1 769 . 1 . 1 72 72 ALA CB C 13 18.143 0.09 . . . . . . A 72 ALA CB . 31043 1 770 . 1 . 1 72 72 ALA N N 15 121.601 0.04 . . . . . . A 72 ALA N . 31043 1 771 . 1 . 1 73 73 LEU H H 1 6.965 0.00 . . . . . . A 73 LEU H . 31043 1 772 . 1 . 1 73 73 LEU HA H 1 4.122 0.01 . . . . . . A 73 LEU HA . 31043 1 773 . 1 . 1 73 73 LEU HB2 H 1 1.886 0.01 . . . . . . A 73 LEU HB2 . 31043 1 774 . 1 . 1 73 73 LEU HB3 H 1 1.817 0.01 . . . . . . A 73 LEU HB3 . 31043 1 775 . 1 . 1 73 73 LEU HG H 1 1.811 0.01 . . . . . . A 73 LEU HG . 31043 1 776 . 1 . 1 73 73 LEU HD11 H 1 1.047 0.01 . . . . . . A 73 LEU HD11 . 31043 1 777 . 1 . 1 73 73 LEU HD12 H 1 1.047 0.01 . . . . . . A 73 LEU HD12 . 31043 1 778 . 1 . 1 73 73 LEU HD13 H 1 1.047 0.01 . . . . . . A 73 LEU HD13 . 31043 1 779 . 1 . 1 73 73 LEU HD21 H 1 0.974 0.00 . . . . . . A 73 LEU HD21 . 31043 1 780 . 1 . 1 73 73 LEU HD22 H 1 0.974 0.00 . . . . . . A 73 LEU HD22 . 31043 1 781 . 1 . 1 73 73 LEU HD23 H 1 0.974 0.00 . . . . . . A 73 LEU HD23 . 31043 1 782 . 1 . 1 73 73 LEU C C 13 178.911 0.00 . . . . . . A 73 LEU C . 31043 1 783 . 1 . 1 73 73 LEU CA C 13 58.030 0.10 . . . . . . A 73 LEU CA . 31043 1 784 . 1 . 1 73 73 LEU CB C 13 42.005 0.06 . . . . . . A 73 LEU CB . 31043 1 785 . 1 . 1 73 73 LEU CG C 13 27.207 0.13 . . . . . . A 73 LEU CG . 31043 1 786 . 1 . 1 73 73 LEU CD1 C 13 24.687 0.07 . . . . . . A 73 LEU CD1 . 31043 1 787 . 1 . 1 73 73 LEU CD2 C 13 24.575 0.06 . . . . . . A 73 LEU CD2 . 31043 1 788 . 1 . 1 73 73 LEU N N 15 115.165 0.04 . . . . . . A 73 LEU N . 31043 1 789 . 1 . 1 74 74 GLU H H 1 7.314 0.00 . . . . . . A 74 GLU H . 31043 1 790 . 1 . 1 74 74 GLU HA H 1 3.933 0.00 . . . . . . A 74 GLU HA . 31043 1 791 . 1 . 1 74 74 GLU HB2 H 1 2.142 0.01 . . . . . . A 74 GLU HB2 . 31043 1 792 . 1 . 1 74 74 GLU HB3 H 1 2.141 0.01 . . . . . . A 74 GLU HB3 . 31043 1 793 . 1 . 1 74 74 GLU HG2 H 1 2.399 0.01 . . . . . . A 74 GLU HG2 . 31043 1 794 . 1 . 1 74 74 GLU HG3 H 1 2.399 0.01 . . . . . . A 74 GLU HG3 . 31043 1 795 . 1 . 1 74 74 GLU C C 13 178.760 0.00 . . . . . . A 74 GLU C . 31043 1 796 . 1 . 1 74 74 GLU CA C 13 59.359 0.08 . . . . . . A 74 GLU CA . 31043 1 797 . 1 . 1 74 74 GLU CB C 13 29.473 0.05 . . . . . . A 74 GLU CB . 31043 1 798 . 1 . 1 74 74 GLU CG C 13 35.841 0.04 . . . . . . A 74 GLU CG . 31043 1 799 . 1 . 1 74 74 GLU N N 15 119.830 0.02 . . . . . . A 74 GLU N . 31043 1 800 . 1 . 1 75 75 LEU H H 1 8.400 0.00 . . . . . . A 75 LEU H . 31043 1 801 . 1 . 1 75 75 LEU HA H 1 3.592 0.01 . . . . . . A 75 LEU HA . 31043 1 802 . 1 . 1 75 75 LEU HB2 H 1 1.166 0.01 . . . . . . A 75 LEU HB2 . 31043 1 803 . 1 . 1 75 75 LEU HB3 H 1 0.548 0.01 . . . . . . A 75 LEU HB3 . 31043 1 804 . 1 . 1 75 75 LEU HG H 1 1.707 0.01 . . . . . . A 75 LEU HG . 31043 1 805 . 1 . 1 75 75 LEU HD11 H 1 0.839 0.00 . . . . . . A 75 LEU HD11 . 31043 1 806 . 1 . 1 75 75 LEU HD12 H 1 0.839 0.00 . . . . . . A 75 LEU HD12 . 31043 1 807 . 1 . 1 75 75 LEU HD13 H 1 0.839 0.00 . . . . . . A 75 LEU HD13 . 31043 1 808 . 1 . 1 75 75 LEU HD21 H 1 0.115 0.00 . . . . . . A 75 LEU HD21 . 31043 1 809 . 1 . 1 75 75 LEU HD22 H 1 0.115 0.00 . . . . . . A 75 LEU HD22 . 31043 1 810 . 1 . 1 75 75 LEU HD23 H 1 0.115 0.00 . . . . . . A 75 LEU HD23 . 31043 1 811 . 1 . 1 75 75 LEU C C 13 178.494 0.00 . . . . . . A 75 LEU C . 31043 1 812 . 1 . 1 75 75 LEU CA C 13 57.075 0.10 . . . . . . A 75 LEU CA . 31043 1 813 . 1 . 1 75 75 LEU CB C 13 39.639 0.11 . . . . . . A 75 LEU CB . 31043 1 814 . 1 . 1 75 75 LEU CG C 13 25.936 0.13 . . . . . . A 75 LEU CG . 31043 1 815 . 1 . 1 75 75 LEU CD1 C 13 27.447 0.07 . . . . . . A 75 LEU CD1 . 31043 1 816 . 1 . 1 75 75 LEU CD2 C 13 20.926 0.10 . . . . . . A 75 LEU CD2 . 31043 1 817 . 1 . 1 75 75 LEU N N 15 117.477 0.02 . . . . . . A 75 LEU N . 31043 1 818 . 1 . 1 76 76 TYR H H 1 7.524 0.00 . . . . . . A 76 TYR H . 31043 1 819 . 1 . 1 76 76 TYR HA H 1 4.107 0.01 . . . . . . A 76 TYR HA . 31043 1 820 . 1 . 1 76 76 TYR HB2 H 1 3.205 0.01 . . . . . . A 76 TYR HB2 . 31043 1 821 . 1 . 1 76 76 TYR HB3 H 1 3.071 0.01 . . . . . . A 76 TYR HB3 . 31043 1 822 . 1 . 1 76 76 TYR C C 13 178.686 0.00 . . . . . . A 76 TYR C . 31043 1 823 . 1 . 1 76 76 TYR CA C 13 60.698 0.11 . . . . . . A 76 TYR CA . 31043 1 824 . 1 . 1 76 76 TYR CB C 13 38.538 0.08 . . . . . . A 76 TYR CB . 31043 1 825 . 1 . 1 76 76 TYR N N 15 118.695 0.03 . . . . . . A 76 TYR N . 31043 1 826 . 1 . 1 77 77 LYS H H 1 7.838 0.00 . . . . . . A 77 LYS H . 31043 1 827 . 1 . 1 77 77 LYS HA H 1 3.619 0.01 . . . . . . A 77 LYS HA . 31043 1 828 . 1 . 1 77 77 LYS HB2 H 1 1.928 0.01 . . . . . . A 77 LYS HB2 . 31043 1 829 . 1 . 1 77 77 LYS HB3 H 1 1.972 0.01 . . . . . . A 77 LYS HB3 . 31043 1 830 . 1 . 1 77 77 LYS HG2 H 1 1.739 0.01 . . . . . . A 77 LYS HG2 . 31043 1 831 . 1 . 1 77 77 LYS HG3 H 1 1.451 0.01 . . . . . . A 77 LYS HG3 . 31043 1 832 . 1 . 1 77 77 LYS HD2 H 1 1.707 0.01 . . . . . . A 77 LYS HD2 . 31043 1 833 . 1 . 1 77 77 LYS HD3 H 1 1.709 0.01 . . . . . . A 77 LYS HD3 . 31043 1 834 . 1 . 1 77 77 LYS HE2 H 1 3.001 0.02 . . . . . . A 77 LYS HE2 . 31043 1 835 . 1 . 1 77 77 LYS HE3 H 1 2.962 0.01 . . . . . . A 77 LYS HE3 . 31043 1 836 . 1 . 1 77 77 LYS C C 13 178.345 0.00 . . . . . . A 77 LYS C . 31043 1 837 . 1 . 1 77 77 LYS CA C 13 59.568 0.06 . . . . . . A 77 LYS CA . 31043 1 838 . 1 . 1 77 77 LYS CB C 13 32.593 0.07 . . . . . . A 77 LYS CB . 31043 1 839 . 1 . 1 77 77 LYS CG C 13 25.725 0.05 . . . . . . A 77 LYS CG . 31043 1 840 . 1 . 1 77 77 LYS CD C 13 29.400 0.08 . . . . . . A 77 LYS CD . 31043 1 841 . 1 . 1 77 77 LYS CE C 13 42.126 0.03 . . . . . . A 77 LYS CE . 31043 1 842 . 1 . 1 77 77 LYS N N 15 120.607 0.06 . . . . . . A 77 LYS N . 31043 1 843 . 1 . 1 78 78 ILE H H 1 7.384 0.00 . . . . . . A 78 ILE H . 31043 1 844 . 1 . 1 78 78 ILE HA H 1 4.405 0.01 . . . . . . A 78 ILE HA . 31043 1 845 . 1 . 1 78 78 ILE HB H 1 2.169 0.00 . . . . . . A 78 ILE HB . 31043 1 846 . 1 . 1 78 78 ILE HG12 H 1 1.446 0.01 . . . . . . A 78 ILE HG12 . 31043 1 847 . 1 . 1 78 78 ILE HG13 H 1 1.113 0.00 . . . . . . A 78 ILE HG13 . 31043 1 848 . 1 . 1 78 78 ILE HG21 H 1 0.870 0.01 . . . . . . A 78 ILE HG21 . 31043 1 849 . 1 . 1 78 78 ILE HG22 H 1 0.870 0.01 . . . . . . A 78 ILE HG22 . 31043 1 850 . 1 . 1 78 78 ILE HG23 H 1 0.870 0.01 . . . . . . A 78 ILE HG23 . 31043 1 851 . 1 . 1 78 78 ILE HD11 H 1 0.741 0.01 . . . . . . A 78 ILE HD11 . 31043 1 852 . 1 . 1 78 78 ILE HD12 H 1 0.741 0.01 . . . . . . A 78 ILE HD12 . 31043 1 853 . 1 . 1 78 78 ILE HD13 H 1 0.741 0.01 . . . . . . A 78 ILE HD13 . 31043 1 854 . 1 . 1 78 78 ILE C C 13 175.827 0.00 . . . . . . A 78 ILE C . 31043 1 855 . 1 . 1 78 78 ILE CA C 13 60.671 0.05 . . . . . . A 78 ILE CA . 31043 1 856 . 1 . 1 78 78 ILE CB C 13 38.244 0.04 . . . . . . A 78 ILE CB . 31043 1 857 . 1 . 1 78 78 ILE CG1 C 13 25.990 0.14 . . . . . . A 78 ILE CG1 . 31043 1 858 . 1 . 1 78 78 ILE CG2 C 13 17.167 0.11 . . . . . . A 78 ILE CG2 . 31043 1 859 . 1 . 1 78 78 ILE CD1 C 13 13.830 0.07 . . . . . . A 78 ILE CD1 . 31043 1 860 . 1 . 1 78 78 ILE N N 15 109.136 0.02 . . . . . . A 78 ILE N . 31043 1 861 . 1 . 1 79 79 ASN H H 1 7.814 0.00 . . . . . . A 79 ASN H . 31043 1 862 . 1 . 1 79 79 ASN HA H 1 4.318 0.00 . . . . . . A 79 ASN HA . 31043 1 863 . 1 . 1 79 79 ASN HB2 H 1 3.103 0.01 . . . . . . A 79 ASN HB2 . 31043 1 864 . 1 . 1 79 79 ASN HB3 H 1 2.612 0.01 . . . . . . A 79 ASN HB3 . 31043 1 865 . 1 . 1 79 79 ASN HD21 H 1 7.492 0.00 . . . . . . A 79 ASN HD21 . 31043 1 866 . 1 . 1 79 79 ASN HD22 H 1 6.747 0.00 . . . . . . A 79 ASN HD22 . 31043 1 867 . 1 . 1 79 79 ASN C C 13 174.609 0.00 . . . . . . A 79 ASN C . 31043 1 868 . 1 . 1 79 79 ASN CA C 13 54.060 0.03 . . . . . . A 79 ASN CA . 31043 1 869 . 1 . 1 79 79 ASN CB C 13 37.148 0.02 . . . . . . A 79 ASN CB . 31043 1 870 . 1 . 1 79 79 ASN N N 15 120.985 0.03 . . . . . . A 79 ASN N . 31043 1 871 . 1 . 1 79 79 ASN ND2 N 15 112.148 0.02 . . . . . . A 79 ASN ND2 . 31043 1 872 . 1 . 1 80 80 ALA H H 1 7.751 0.01 . . . . . . A 80 ALA H . 31043 1 873 . 1 . 1 80 80 ALA HA H 1 4.213 0.01 . . . . . . A 80 ALA HA . 31043 1 874 . 1 . 1 80 80 ALA HB1 H 1 1.146 0.00 . . . . . . A 80 ALA HB1 . 31043 1 875 . 1 . 1 80 80 ALA HB2 H 1 1.146 0.00 . . . . . . A 80 ALA HB2 . 31043 1 876 . 1 . 1 80 80 ALA HB3 H 1 1.146 0.00 . . . . . . A 80 ALA HB3 . 31043 1 877 . 1 . 1 80 80 ALA C C 13 177.937 0.00 . . . . . . A 80 ALA C . 31043 1 878 . 1 . 1 80 80 ALA CA C 13 52.065 0.10 . . . . . . A 80 ALA CA . 31043 1 879 . 1 . 1 80 80 ALA CB C 13 20.578 0.11 . . . . . . A 80 ALA CB . 31043 1 880 . 1 . 1 80 80 ALA N N 15 119.266 0.03 . . . . . . A 80 ALA N . 31043 1 881 . 1 . 1 81 81 LYS H H 1 8.675 0.00 . . . . . . A 81 LYS H . 31043 1 882 . 1 . 1 81 81 LYS HA H 1 4.085 0.01 . . . . . . A 81 LYS HA . 31043 1 883 . 1 . 1 81 81 LYS HB2 H 1 1.923 0.01 . . . . . . A 81 LYS HB2 . 31043 1 884 . 1 . 1 81 81 LYS HB3 H 1 1.878 0.01 . . . . . . A 81 LYS HB3 . 31043 1 885 . 1 . 1 81 81 LYS HG2 H 1 1.415 0.01 . . . . . . A 81 LYS HG2 . 31043 1 886 . 1 . 1 81 81 LYS HG3 H 1 1.286 0.01 . . . . . . A 81 LYS HG3 . 31043 1 887 . 1 . 1 81 81 LYS HD2 H 1 1.727 0.01 . . . . . . A 81 LYS HD2 . 31043 1 888 . 1 . 1 81 81 LYS HD3 H 1 1.719 0.01 . . . . . . A 81 LYS HD3 . 31043 1 889 . 1 . 1 81 81 LYS HE2 H 1 3.040 0.01 . . . . . . A 81 LYS HE2 . 31043 1 890 . 1 . 1 81 81 LYS HE3 H 1 3.013 0.01 . . . . . . A 81 LYS HE3 . 31043 1 891 . 1 . 1 81 81 LYS C C 13 176.163 0.00 . . . . . . A 81 LYS C . 31043 1 892 . 1 . 1 81 81 LYS CA C 13 58.330 0.06 . . . . . . A 81 LYS CA . 31043 1 893 . 1 . 1 81 81 LYS CB C 13 32.730 0.07 . . . . . . A 81 LYS CB . 31043 1 894 . 1 . 1 81 81 LYS CG C 13 25.048 0.04 . . . . . . A 81 LYS CG . 31043 1 895 . 1 . 1 81 81 LYS CD C 13 29.306 0.06 . . . . . . A 81 LYS CD . 31043 1 896 . 1 . 1 81 81 LYS CE C 13 42.243 0.07 . . . . . . A 81 LYS CE . 31043 1 897 . 1 . 1 81 81 LYS N N 15 122.693 0.02 . . . . . . A 81 LYS N . 31043 1 898 . 1 . 1 82 82 LEU H H 1 8.533 0.00 . . . . . . A 82 LEU H . 31043 1 899 . 1 . 1 82 82 LEU HA H 1 5.053 0.01 . . . . . . A 82 LEU HA . 31043 1 900 . 1 . 1 82 82 LEU HB2 H 1 1.411 0.00 . . . . . . A 82 LEU HB2 . 31043 1 901 . 1 . 1 82 82 LEU HB3 H 1 1.355 0.02 . . . . . . A 82 LEU HB3 . 31043 1 902 . 1 . 1 82 82 LEU HG H 1 1.299 0.00 . . . . . . A 82 LEU HG . 31043 1 903 . 1 . 1 82 82 LEU HD11 H 1 0.451 0.00 . . . . . . A 82 LEU HD11 . 31043 1 904 . 1 . 1 82 82 LEU HD12 H 1 0.451 0.00 . . . . . . A 82 LEU HD12 . 31043 1 905 . 1 . 1 82 82 LEU HD13 H 1 0.451 0.00 . . . . . . A 82 LEU HD13 . 31043 1 906 . 1 . 1 82 82 LEU HD21 H 1 0.180 0.00 . . . . . . A 82 LEU HD21 . 31043 1 907 . 1 . 1 82 82 LEU HD22 H 1 0.180 0.00 . . . . . . A 82 LEU HD22 . 31043 1 908 . 1 . 1 82 82 LEU HD23 H 1 0.180 0.00 . . . . . . A 82 LEU HD23 . 31043 1 909 . 1 . 1 82 82 LEU C C 13 177.746 0.00 . . . . . . A 82 LEU C . 31043 1 910 . 1 . 1 82 82 LEU CA C 13 52.971 0.04 . . . . . . A 82 LEU CA . 31043 1 911 . 1 . 1 82 82 LEU CB C 13 43.768 0.05 . . . . . . A 82 LEU CB . 31043 1 912 . 1 . 1 82 82 LEU CG C 13 26.741 0.06 . . . . . . A 82 LEU CG . 31043 1 913 . 1 . 1 82 82 LEU CD1 C 13 24.691 0.03 . . . . . . A 82 LEU CD1 . 31043 1 914 . 1 . 1 82 82 LEU CD2 C 13 24.668 0.04 . . . . . . A 82 LEU CD2 . 31043 1 915 . 1 . 1 82 82 LEU N N 15 129.883 0.04 . . . . . . A 82 LEU N . 31043 1 916 . 1 . 1 83 83 CYS H H 1 8.598 0.00 . . . . . . A 83 CYS H . 31043 1 917 . 1 . 1 83 83 CYS HA H 1 4.097 0.01 . . . . . . A 83 CYS HA . 31043 1 918 . 1 . 1 83 83 CYS HB2 H 1 3.018 0.01 . . . . . . A 83 CYS HB2 . 31043 1 919 . 1 . 1 83 83 CYS HB3 H 1 2.803 0.01 . . . . . . A 83 CYS HB3 . 31043 1 920 . 1 . 1 83 83 CYS C C 13 176.213 0.00 . . . . . . A 83 CYS C . 31043 1 921 . 1 . 1 83 83 CYS CA C 13 61.411 0.11 . . . . . . A 83 CYS CA . 31043 1 922 . 1 . 1 83 83 CYS CB C 13 30.996 0.06 . . . . . . A 83 CYS CB . 31043 1 923 . 1 . 1 83 83 CYS N N 15 126.117 0.04 . . . . . . A 83 CYS N . 31043 1 924 . 1 . 1 84 84 ASP H H 1 8.598 0.00 . . . . . . A 84 ASP H . 31043 1 925 . 1 . 1 84 84 ASP HA H 1 4.830 0.01 . . . . . . A 84 ASP HA . 31043 1 926 . 1 . 1 84 84 ASP HB2 H 1 2.727 0.01 . . . . . . A 84 ASP HB2 . 31043 1 927 . 1 . 1 84 84 ASP HB3 H 1 2.498 0.00 . . . . . . A 84 ASP HB3 . 31043 1 928 . 1 . 1 84 84 ASP CA C 13 52.526 0.06 . . . . . . A 84 ASP CA . 31043 1 929 . 1 . 1 84 84 ASP CB C 13 40.907 0.06 . . . . . . A 84 ASP CB . 31043 1 930 . 1 . 1 84 84 ASP N N 15 123.352 0.04 . . . . . . A 84 ASP N . 31043 1 931 . 1 . 1 85 85 PRO HA H 1 4.457 0.01 . . . . . . A 85 PRO HA . 31043 1 932 . 1 . 1 85 85 PRO HB2 H 1 2.248 0.01 . . . . . . A 85 PRO HB2 . 31043 1 933 . 1 . 1 85 85 PRO HB3 H 1 1.861 0.01 . . . . . . A 85 PRO HB3 . 31043 1 934 . 1 . 1 85 85 PRO HG2 H 1 1.976 0.01 . . . . . . A 85 PRO HG2 . 31043 1 935 . 1 . 1 85 85 PRO HG3 H 1 1.980 0.01 . . . . . . A 85 PRO HG3 . 31043 1 936 . 1 . 1 85 85 PRO HD2 H 1 3.843 0.01 . . . . . . A 85 PRO HD2 . 31043 1 937 . 1 . 1 85 85 PRO HD3 H 1 3.723 0.03 . . . . . . A 85 PRO HD3 . 31043 1 938 . 1 . 1 85 85 PRO C C 13 176.526 0.00 . . . . . . A 85 PRO C . 31043 1 939 . 1 . 1 85 85 PRO CA C 13 63.203 0.12 . . . . . . A 85 PRO CA . 31043 1 940 . 1 . 1 85 85 PRO CB C 13 32.215 0.06 . . . . . . A 85 PRO CB . 31043 1 941 . 1 . 1 85 85 PRO CG C 13 27.397 0.04 . . . . . . A 85 PRO CG . 31043 1 942 . 1 . 1 85 85 PRO CD C 13 50.724 0.05 . . . . . . A 85 PRO CD . 31043 1 943 . 1 . 1 86 86 HIS H H 1 8.510 0.00 . . . . . . A 86 HIS H . 31043 1 944 . 1 . 1 86 86 HIS HA H 1 4.842 0.01 . . . . . . A 86 HIS HA . 31043 1 945 . 1 . 1 86 86 HIS HB2 H 1 3.200 0.00 . . . . . . A 86 HIS HB2 . 31043 1 946 . 1 . 1 86 86 HIS HB3 H 1 3.199 0.00 . . . . . . A 86 HIS HB3 . 31043 1 947 . 1 . 1 86 86 HIS CA C 13 53.961 0.06 . . . . . . A 86 HIS CA . 31043 1 948 . 1 . 1 86 86 HIS CB C 13 28.872 0.10 . . . . . . A 86 HIS CB . 31043 1 949 . 1 . 1 86 86 HIS N N 15 121.048 0.04 . . . . . . A 86 HIS N . 31043 1 950 . 1 . 1 87 87 PRO HA H 1 4.299 0.00 . . . . . . A 87 PRO HA . 31043 1 951 . 1 . 1 87 87 PRO HB2 H 1 2.256 0.01 . . . . . . A 87 PRO HB2 . 31043 1 952 . 1 . 1 87 87 PRO HB3 H 1 1.931 0.01 . . . . . . A 87 PRO HB3 . 31043 1 953 . 1 . 1 87 87 PRO HG2 H 1 1.934 0.01 . . . . . . A 87 PRO HG2 . 31043 1 954 . 1 . 1 87 87 PRO HG3 H 1 1.934 0.01 . . . . . . A 87 PRO HG3 . 31043 1 955 . 1 . 1 87 87 PRO HD2 H 1 3.683 0.00 . . . . . . A 87 PRO HD2 . 31043 1 956 . 1 . 1 87 87 PRO HD3 H 1 3.317 0.00 . . . . . . A 87 PRO HD3 . 31043 1 957 . 1 . 1 87 87 PRO CA C 13 64.963 0.04 . . . . . . A 87 PRO CA . 31043 1 958 . 1 . 1 87 87 PRO CB C 13 32.225 0.04 . . . . . . A 87 PRO CB . 31043 1 959 . 1 . 1 87 87 PRO CG C 13 27.362 0.03 . . . . . . A 87 PRO CG . 31043 1 960 . 1 . 1 87 87 PRO CD C 13 50.677 0.07 . . . . . . A 87 PRO CD . 31043 1 stop_ save_