################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17594 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _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 '3D HNCO' . . . 17594 1 2 '3D HNCA' . . . 17594 1 3 '3D CBCA(CO)NH' . . . 17594 1 4 '3D HBHA(CO)NH' . . . 17594 1 5 '3D HCCH-TOCSY' . . . 17594 1 6 '3D (H)CCH-TOCSY' . . . 17594 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.337 0.04 . 1 . . . A 1 MET HA . 17594 1 2 . 1 1 1 1 MET HB2 H 1 1.962 0.04 . 2 . . . A 1 MET HB2 . 17594 1 3 . 1 1 1 1 MET HB3 H 1 1.904 0.04 . 2 . . . A 1 MET HB3 . 17594 1 4 . 1 1 1 1 MET HG2 H 1 2.492 0.04 . 2 . . . A 1 MET HG2 . 17594 1 5 . 1 1 1 1 MET HG3 H 1 2.449 0.04 . 2 . . . A 1 MET HG3 . 17594 1 6 . 1 1 1 1 MET HE1 H 1 1.974 0.04 . 1 . . . A 1 MET HE1 . 17594 1 7 . 1 1 1 1 MET HE2 H 1 1.974 0.04 . 1 . . . A 1 MET HE2 . 17594 1 8 . 1 1 1 1 MET HE3 H 1 1.974 0.04 . 1 . . . A 1 MET HE3 . 17594 1 9 . 1 1 1 1 MET C C 13 176.483 0.40 . 1 . . . A 1 MET C . 17594 1 10 . 1 1 1 1 MET CA C 13 56.008 0.40 . 1 . . . A 1 MET CA . 17594 1 11 . 1 1 1 1 MET CB C 13 33.025 0.40 . 1 . . . A 1 MET CB . 17594 1 12 . 1 1 1 1 MET CG C 13 31.817 0.40 . 1 . . . A 1 MET CG . 17594 1 13 . 1 1 1 1 MET CE C 13 16.849 0.40 . 1 . . . A 1 MET CE . 17594 1 14 . 1 1 2 2 LYS H H 1 8.503 0.04 . 1 . . . A 2 LYS H . 17594 1 15 . 1 1 2 2 LYS HA H 1 4.229 0.04 . 1 . . . A 2 LYS HA . 17594 1 16 . 1 1 2 2 LYS HB2 H 1 1.651 0.04 . 2 . . . A 2 LYS HB2 . 17594 1 17 . 1 1 2 2 LYS HB3 H 1 1.651 0.04 . 2 . . . A 2 LYS HB3 . 17594 1 18 . 1 1 2 2 LYS C C 13 176.466 0.40 . 1 . . . A 2 LYS C . 17594 1 19 . 1 1 2 2 LYS CA C 13 56.363 0.40 . 1 . . . A 2 LYS CA . 17594 1 20 . 1 1 2 2 LYS CB C 13 33.080 0.40 . 1 . . . A 2 LYS CB . 17594 1 21 . 1 1 2 2 LYS N N 15 122.114 0.40 . 1 . . . A 2 LYS N . 17594 1 22 . 1 1 3 3 ASP H H 1 8.282 0.04 . 1 . . . A 3 ASP H . 17594 1 23 . 1 1 3 3 ASP HA H 1 4.447 0.04 . 1 . . . A 3 ASP HA . 17594 1 24 . 1 1 3 3 ASP HB2 H 1 2.601 0.04 . 2 . . . A 3 ASP HB2 . 17594 1 25 . 1 1 3 3 ASP HB3 H 1 2.553 0.04 . 2 . . . A 3 ASP HB3 . 17594 1 26 . 1 1 3 3 ASP C C 13 176.534 0.40 . 1 . . . A 3 ASP C . 17594 1 27 . 1 1 3 3 ASP CA C 13 54.971 0.40 . 1 . . . A 3 ASP CA . 17594 1 28 . 1 1 3 3 ASP CB C 13 40.832 0.40 . 1 . . . A 3 ASP CB . 17594 1 29 . 1 1 3 3 ASP N N 15 121.910 0.40 . 1 . . . A 3 ASP N . 17594 1 30 . 1 1 4 4 SER H H 1 8.122 0.04 . 1 . . . A 4 SER H . 17594 1 31 . 1 1 4 4 SER HA H 1 4.271 0.04 . 1 . . . A 4 SER HA . 17594 1 32 . 1 1 4 4 SER HB2 H 1 3.825 0.04 . 2 . . . A 4 SER HB2 . 17594 1 33 . 1 1 4 4 SER HB3 H 1 3.729 0.04 . 2 . . . A 4 SER HB3 . 17594 1 34 . 1 1 4 4 SER C C 13 174.641 0.40 . 1 . . . A 4 SER C . 17594 1 35 . 1 1 4 4 SER CA C 13 58.820 0.40 . 1 . . . A 4 SER CA . 17594 1 36 . 1 1 4 4 SER CB C 13 63.542 0.40 . 1 . . . A 4 SER CB . 17594 1 37 . 1 1 4 4 SER N N 15 115.202 0.40 . 1 . . . A 4 SER N . 17594 1 38 . 1 1 5 5 ASP H H 1 8.214 0.04 . 1 . . . A 5 ASP H . 17594 1 39 . 1 1 5 5 ASP HA H 1 4.488 0.04 . 1 . . . A 5 ASP HA . 17594 1 40 . 1 1 5 5 ASP HB2 H 1 2.628 0.04 . 2 . . . A 5 ASP HB2 . 17594 1 41 . 1 1 5 5 ASP HB3 H 1 2.560 0.04 . 2 . . . A 5 ASP HB3 . 17594 1 42 . 1 1 5 5 ASP C C 13 176.466 0.40 . 1 . . . A 5 ASP C . 17594 1 43 . 1 1 5 5 ASP CA C 13 54.862 0.40 . 1 . . . A 5 ASP CA . 17594 1 44 . 1 1 5 5 ASP CB C 13 40.777 0.40 . 1 . . . A 5 ASP CB . 17594 1 45 . 1 1 5 5 ASP N N 15 122.233 0.40 . 1 . . . A 5 ASP N . 17594 1 46 . 1 1 6 6 LYS H H 1 7.948 0.04 . 1 . . . A 6 LYS H . 17594 1 47 . 1 1 6 6 LYS HA H 1 4.147 0.04 . 1 . . . A 6 LYS HA . 17594 1 48 . 1 1 6 6 LYS HB2 H 1 1.663 0.04 . 2 . . . A 6 LYS HB2 . 17594 1 49 . 1 1 6 6 LYS HB3 H 1 1.663 0.04 . 2 . . . A 6 LYS HB3 . 17594 1 50 . 1 1 6 6 LYS C C 13 176.867 0.40 . 1 . . . A 6 LYS C . 17594 1 51 . 1 1 6 6 LYS CA C 13 56.538 0.40 . 1 . . . A 6 LYS CA . 17594 1 52 . 1 1 6 6 LYS CB C 13 33.002 0.40 . 1 . . . A 6 LYS CB . 17594 1 53 . 1 1 6 6 LYS N N 15 120.565 0.40 . 1 . . . A 6 LYS N . 17594 1 54 . 1 1 7 7 GLU H H 1 8.221 0.04 . 1 . . . A 7 GLU H . 17594 1 55 . 1 1 7 7 GLU HA H 1 4.119 0.04 . 1 . . . A 7 GLU HA . 17594 1 56 . 1 1 7 7 GLU HB2 H 1 1.936 0.04 . 2 . . . A 7 GLU HB2 . 17594 1 57 . 1 1 7 7 GLU HB3 H 1 1.833 0.04 . 2 . . . A 7 GLU HB3 . 17594 1 58 . 1 1 7 7 GLU HG2 H 1 2.132 0.04 . 2 . . . A 7 GLU HG2 . 17594 1 59 . 1 1 7 7 GLU HG3 H 1 2.132 0.04 . 2 . . . A 7 GLU HG3 . 17594 1 60 . 1 1 7 7 GLU C C 13 176.415 0.40 . 1 . . . A 7 GLU C . 17594 1 61 . 1 1 7 7 GLU CA C 13 56.647 0.40 . 1 . . . A 7 GLU CA . 17594 1 62 . 1 1 7 7 GLU CB C 13 29.992 0.40 . 1 . . . A 7 GLU CB . 17594 1 63 . 1 1 7 7 GLU CG C 13 36.189 0.40 . 1 . . . A 7 GLU CG . 17594 1 64 . 1 1 7 7 GLU N N 15 121.169 0.40 . 1 . . . A 7 GLU N . 17594 1 65 . 1 1 8 8 LYS H H 1 8.075 0.04 . 1 . . . A 8 LYS H . 17594 1 66 . 1 1 8 8 LYS HA H 1 4.186 0.04 . 1 . . . A 8 LYS HA . 17594 1 67 . 1 1 8 8 LYS HB2 H 1 1.747 0.04 . 2 . . . A 8 LYS HB2 . 17594 1 68 . 1 1 8 8 LYS HB3 H 1 1.653 0.04 . 2 . . . A 8 LYS HB3 . 17594 1 69 . 1 1 8 8 LYS C C 13 176.560 0.40 . 1 . . . A 8 LYS C . 17594 1 70 . 1 1 8 8 LYS CA C 13 56.238 0.40 . 1 . . . A 8 LYS CA . 17594 1 71 . 1 1 8 8 LYS CB C 13 33.082 0.40 . 1 . . . A 8 LYS CB . 17594 1 72 . 1 1 8 8 LYS N N 15 121.501 0.40 . 1 . . . A 8 LYS N . 17594 1 73 . 1 1 9 9 GLU H H 1 8.283 0.04 . 1 . . . A 9 GLU H . 17594 1 74 . 1 1 9 9 GLU HA H 1 4.146 0.04 . 1 . . . A 9 GLU HA . 17594 1 75 . 1 1 9 9 GLU HB2 H 1 1.945 0.04 . 2 . . . A 9 GLU HB2 . 17594 1 76 . 1 1 9 9 GLU HB3 H 1 1.788 0.04 . 2 . . . A 9 GLU HB3 . 17594 1 77 . 1 1 9 9 GLU HG2 H 1 2.167 0.04 . 2 . . . A 9 GLU HG2 . 17594 1 78 . 1 1 9 9 GLU HG3 H 1 2.129 0.04 . 2 . . . A 9 GLU HG3 . 17594 1 79 . 1 1 9 9 GLU C C 13 175.306 0.40 . 1 . . . A 9 GLU C . 17594 1 80 . 1 1 9 9 GLU CA C 13 56.554 0.40 . 1 . . . A 9 GLU CA . 17594 1 81 . 1 1 9 9 GLU CB C 13 30.623 0.40 . 1 . . . A 9 GLU CB . 17594 1 82 . 1 1 9 9 GLU CG C 13 36.203 0.40 . 1 . . . A 9 GLU CG . 17594 1 83 . 1 1 9 9 GLU N N 15 121.688 0.40 . 1 . . . A 9 GLU N . 17594 1 84 . 1 1 10 10 ASN H H 1 7.949 0.04 . 1 . . . A 10 ASN H . 17594 1 85 . 1 1 10 10 ASN HA H 1 4.337 0.04 . 1 . . . A 10 ASN HA . 17594 1 86 . 1 1 10 10 ASN HB2 H 1 2.642 0.04 . 2 . . . A 10 ASN HB2 . 17594 1 87 . 1 1 10 10 ASN HB3 H 1 2.567 0.04 . 2 . . . A 10 ASN HB3 . 17594 1 88 . 1 1 10 10 ASN C C 13 176.279 0.40 . 1 . . . A 10 ASN C . 17594 1 89 . 1 1 10 10 ASN CA C 13 54.753 0.40 . 1 . . . A 10 ASN CA . 17594 1 90 . 1 1 10 10 ASN CB C 13 40.723 0.40 . 1 . . . A 10 ASN CB . 17594 1 91 . 1 1 10 10 ASN N N 15 124.685 0.40 . 1 . . . A 10 ASN N . 17594 1 92 . 1 1 11 11 GLY H H 1 8.212 0.04 . 1 . . . A 11 GLY H . 17594 1 93 . 1 1 11 11 GLY HA2 H 1 3.804 0.04 . 2 . . . A 11 GLY HA2 . 17594 1 94 . 1 1 11 11 GLY HA3 H 1 3.709 0.04 . 2 . . . A 11 GLY HA3 . 17594 1 95 . 1 1 11 11 GLY C C 13 174.419 0.40 . 1 . . . A 11 GLY C . 17594 1 96 . 1 1 11 11 GLY CA C 13 45.527 0.40 . 1 . . . A 11 GLY CA . 17594 1 97 . 1 1 11 11 GLY N N 15 114.180 0.40 . 1 . . . A 11 GLY N . 17594 1 98 . 1 1 12 12 LYS H H 1 8.191 0.04 . 1 . . . A 12 LYS H . 17594 1 99 . 1 1 12 12 LYS HA H 1 4.186 0.04 . 1 . . . A 12 LYS HA . 17594 1 100 . 1 1 12 12 LYS HB2 H 1 1.651 0.04 . 2 . . . A 12 LYS HB2 . 17594 1 101 . 1 1 12 12 LYS HB3 H 1 1.651 0.04 . 2 . . . A 12 LYS HB3 . 17594 1 102 . 1 1 12 12 LYS C C 13 176.406 0.40 . 1 . . . A 12 LYS C . 17594 1 103 . 1 1 12 12 LYS CA C 13 56.265 0.40 . 1 . . . A 12 LYS CA . 17594 1 104 . 1 1 12 12 LYS CB C 13 33.002 0.40 . 1 . . . A 12 LYS CB . 17594 1 105 . 1 1 12 12 LYS N N 15 120.650 0.40 . 1 . . . A 12 LYS N . 17594 1 106 . 1 1 13 13 MET H H 1 8.201 0.04 . 1 . . . A 13 MET H . 17594 1 107 . 1 1 13 13 MET HA H 1 4.296 0.04 . 1 . . . A 13 MET HA . 17594 1 108 . 1 1 13 13 MET HB2 H 1 1.849 0.04 . 2 . . . A 13 MET HB2 . 17594 1 109 . 1 1 13 13 MET HB3 H 1 1.849 0.04 . 2 . . . A 13 MET HB3 . 17594 1 110 . 1 1 13 13 MET HG2 H 1 2.412 0.04 . 2 . . . A 13 MET HG2 . 17594 1 111 . 1 1 13 13 MET HG3 H 1 2.360 0.04 . 2 . . . A 13 MET HG3 . 17594 1 112 . 1 1 13 13 MET HE1 H 1 1.879 0.04 . 1 . . . A 13 MET HE1 . 17594 1 113 . 1 1 13 13 MET HE2 H 1 1.879 0.04 . 1 . . . A 13 MET HE2 . 17594 1 114 . 1 1 13 13 MET HE3 H 1 1.879 0.04 . 1 . . . A 13 MET HE3 . 17594 1 115 . 1 1 13 13 MET C C 13 176.355 0.40 . 1 . . . A 13 MET C . 17594 1 116 . 1 1 13 13 MET CA C 13 55.176 0.40 . 1 . . . A 13 MET CA . 17594 1 117 . 1 1 13 13 MET CB C 13 32.875 0.40 . 1 . . . A 13 MET CB . 17594 1 118 . 1 1 13 13 MET CG C 13 31.912 0.40 . 1 . . . A 13 MET CG . 17594 1 119 . 1 1 13 13 MET CE C 13 16.903 0.40 . 1 . . . A 13 MET CE . 17594 1 120 . 1 1 13 13 MET N N 15 120.939 0.40 . 1 . . . A 13 MET N . 17594 1 121 . 1 1 14 14 GLY H H 1 7.737 0.04 . 1 . . . A 14 GLY H . 17594 1 122 . 1 1 14 14 GLY HA2 H 1 3.750 0.04 . 2 . . . A 14 GLY HA2 . 17594 1 123 . 1 1 14 14 GLY HA3 H 1 3.490 0.04 . 2 . . . A 14 GLY HA3 . 17594 1 124 . 1 1 14 14 GLY C C 13 173.088 0.40 . 1 . . . A 14 GLY C . 17594 1 125 . 1 1 14 14 GLY CA C 13 44.885 0.40 . 1 . . . A 14 GLY CA . 17594 1 126 . 1 1 14 14 GLY N N 15 109.158 0.40 . 1 . . . A 14 GLY N . 17594 1 127 . 1 1 15 15 CYS H H 1 6.996 0.04 . 1 . . . A 15 CYS H . 17594 1 128 . 1 1 15 15 CYS HA H 1 3.886 0.04 . 1 . . . A 15 CYS HA . 17594 1 129 . 1 1 15 15 CYS HB2 H 1 2.341 0.04 . 2 . . . A 15 CYS HB2 . 17594 1 130 . 1 1 15 15 CYS HB3 H 1 2.116 0.04 . 2 . . . A 15 CYS HB3 . 17594 1 131 . 1 1 15 15 CYS C C 13 173.720 0.40 . 1 . . . A 15 CYS C . 17594 1 132 . 1 1 15 15 CYS CA C 13 57.742 0.40 . 1 . . . A 15 CYS CA . 17594 1 133 . 1 1 15 15 CYS CB C 13 27.361 0.40 . 1 . . . A 15 CYS CB . 17594 1 134 . 1 1 15 15 CYS N N 15 116.564 0.40 . 1 . . . A 15 CYS N . 17594 1 135 . 1 1 16 16 TRP H H 1 6.691 0.04 . 1 . . . A 16 TRP H . 17594 1 136 . 1 1 16 16 TRP HA H 1 4.539 0.04 . 1 . . . A 16 TRP HA . 17594 1 137 . 1 1 16 16 TRP HB2 H 1 3.059 0.04 . 2 . . . A 16 TRP HB2 . 17594 1 138 . 1 1 16 16 TRP HB3 H 1 2.704 0.04 . 2 . . . A 16 TRP HB3 . 17594 1 139 . 1 1 16 16 TRP HD1 H 1 6.784 0.04 . 1 . . . A 16 TRP HD1 . 17594 1 140 . 1 1 16 16 TRP HE1 H 1 10.164 0.04 . 1 . . . A 16 TRP HE1 . 17594 1 141 . 1 1 16 16 TRP HE3 H 1 6.736 0.04 . 1 . . . A 16 TRP HE3 . 17594 1 142 . 1 1 16 16 TRP HZ2 H 1 7.232 0.04 . 1 . . . A 16 TRP HZ2 . 17594 1 143 . 1 1 16 16 TRP HZ3 H 1 6.266 0.04 . 1 . . . A 16 TRP HZ3 . 17594 1 144 . 1 1 16 16 TRP HH2 H 1 6.670 0.04 . 1 . . . A 16 TRP HH2 . 17594 1 145 . 1 1 16 16 TRP C C 13 177.733 0.40 . 1 . . . A 16 TRP C . 17594 1 146 . 1 1 16 16 TRP CA C 13 57.032 0.40 . 1 . . . A 16 TRP CA . 17594 1 147 . 1 1 16 16 TRP CB C 13 30.282 0.40 . 1 . . . A 16 TRP CB . 17594 1 148 . 1 1 16 16 TRP CD1 C 13 126.687 0.40 . 1 . . . A 16 TRP CD1 . 17594 1 149 . 1 1 16 16 TRP CE3 C 13 119.303 0.40 . 1 . . . A 16 TRP CE3 . 17594 1 150 . 1 1 16 16 TRP CZ2 C 13 115.028 0.40 . 1 . . . A 16 TRP CZ2 . 17594 1 151 . 1 1 16 16 TRP CZ3 C 13 121.103 0.40 . 1 . . . A 16 TRP CZ3 . 17594 1 152 . 1 1 16 16 TRP CH2 C 13 122.792 0.40 . 1 . . . A 16 TRP CH2 . 17594 1 153 . 1 1 16 16 TRP N N 15 118.113 0.40 . 1 . . . A 16 TRP N . 17594 1 154 . 1 1 16 16 TRP NE1 N 15 131.558 0.40 . 1 . . . A 16 TRP NE1 . 17594 1 155 . 1 1 17 17 SER H H 1 9.164 0.04 . 1 . . . A 17 SER H . 17594 1 156 . 1 1 17 17 SER HA H 1 4.590 0.04 . 1 . . . A 17 SER HA . 17594 1 157 . 1 1 17 17 SER HB2 H 1 4.078 0.04 . 2 . . . A 17 SER HB2 . 17594 1 158 . 1 1 17 17 SER HB3 H 1 4.406 0.04 . 2 . . . A 17 SER HB3 . 17594 1 159 . 1 1 17 17 SER C C 13 175.037 0.40 . 1 . . . A 17 SER C . 17594 1 160 . 1 1 17 17 SER CA C 13 57.892 0.40 . 1 . . . A 17 SER CA . 17594 1 161 . 1 1 17 17 SER CB C 13 64.225 0.40 . 1 . . . A 17 SER CB . 17594 1 162 . 1 1 17 17 SER N N 15 121.782 0.40 . 1 . . . A 17 SER N . 17594 1 163 . 1 1 18 18 ILE H H 1 9.017 0.04 . 1 . . . A 18 ILE H . 17594 1 164 . 1 1 18 18 ILE HA H 1 3.770 0.04 . 1 . . . A 18 ILE HA . 17594 1 165 . 1 1 18 18 ILE HB H 1 1.868 0.04 . 1 . . . A 18 ILE HB . 17594 1 166 . 1 1 18 18 ILE HG12 H 1 1.756 0.04 . 2 . . . A 18 ILE HG12 . 17594 1 167 . 1 1 18 18 ILE HG13 H 1 1.236 0.04 . 2 . . . A 18 ILE HG13 . 17594 1 168 . 1 1 18 18 ILE HG21 H 1 0.886 0.04 . 1 . . . A 18 ILE HG21 . 17594 1 169 . 1 1 18 18 ILE HG22 H 1 0.886 0.04 . 1 . . . A 18 ILE HG22 . 17594 1 170 . 1 1 18 18 ILE HG23 H 1 0.886 0.04 . 1 . . . A 18 ILE HG23 . 17594 1 171 . 1 1 18 18 ILE HD11 H 1 0.956 0.04 . 1 . . . A 18 ILE HD11 . 17594 1 172 . 1 1 18 18 ILE HD12 H 1 0.956 0.04 . 1 . . . A 18 ILE HD12 . 17594 1 173 . 1 1 18 18 ILE HD13 H 1 0.956 0.04 . 1 . . . A 18 ILE HD13 . 17594 1 174 . 1 1 18 18 ILE C C 13 177.541 0.40 . 1 . . . A 18 ILE C . 17594 1 175 . 1 1 18 18 ILE CA C 13 65.208 0.40 . 1 . . . A 18 ILE CA . 17594 1 176 . 1 1 18 18 ILE CB C 13 37.488 0.40 . 1 . . . A 18 ILE CB . 17594 1 177 . 1 1 18 18 ILE CG1 C 13 29.774 0.40 . 1 . . . A 18 ILE CG1 . 17594 1 178 . 1 1 18 18 ILE CG2 C 13 18.429 0.40 . 1 . . . A 18 ILE CG2 . 17594 1 179 . 1 1 18 18 ILE CD1 C 13 13.798 0.40 . 1 . . . A 18 ILE CD1 . 17594 1 180 . 1 1 18 18 ILE N N 15 122.378 0.40 . 1 . . . A 18 ILE N . 17594 1 181 . 1 1 19 19 GLU H H 1 8.838 0.04 . 1 . . . A 19 GLU H . 17594 1 182 . 1 1 19 19 GLU HA H 1 4.051 0.04 . 1 . . . A 19 GLU HA . 17594 1 183 . 1 1 19 19 GLU HB2 H 1 1.992 0.04 . 2 . . . A 19 GLU HB2 . 17594 1 184 . 1 1 19 19 GLU HB3 H 1 1.862 0.04 . 2 . . . A 19 GLU HB3 . 17594 1 185 . 1 1 19 19 GLU HG2 H 1 2.346 0.04 . 2 . . . A 19 GLU HG2 . 17594 1 186 . 1 1 19 19 GLU HG3 H 1 2.213 0.04 . 2 . . . A 19 GLU HG3 . 17594 1 187 . 1 1 19 19 GLU C C 13 178.923 0.40 . 1 . . . A 19 GLU C . 17594 1 188 . 1 1 19 19 GLU CA C 13 60.065 0.40 . 1 . . . A 19 GLU CA . 17594 1 189 . 1 1 19 19 GLU CB C 13 28.540 0.40 . 1 . . . A 19 GLU CB . 17594 1 190 . 1 1 19 19 GLU CG C 13 36.843 0.40 . 1 . . . A 19 GLU CG . 17594 1 191 . 1 1 19 19 GLU N N 15 118.734 0.40 . 1 . . . A 19 GLU N . 17594 1 192 . 1 1 20 20 HIS H H 1 8.073 0.04 . 1 . . . A 20 HIS H . 17594 1 193 . 1 1 20 20 HIS HA H 1 4.091 0.04 . 1 . . . A 20 HIS HA . 17594 1 194 . 1 1 20 20 HIS HB2 H 1 3.360 0.04 . 2 . . . A 20 HIS HB2 . 17594 1 195 . 1 1 20 20 HIS HB3 H 1 3.203 0.04 . 2 . . . A 20 HIS HB3 . 17594 1 196 . 1 1 20 20 HIS HD2 H 1 6.180 0.04 . 2 . . . A 20 HIS HD2 . 17594 1 197 . 1 1 20 20 HIS HE1 H 1 7.440 0.04 . 1 . . . A 20 HIS HE1 . 17594 1 198 . 1 1 20 20 HIS C C 13 177.234 0.40 . 1 . . . A 20 HIS C . 17594 1 199 . 1 1 20 20 HIS CA C 13 60.471 0.40 . 1 . . . A 20 HIS CA . 17594 1 200 . 1 1 20 20 HIS CB C 13 31.538 0.40 . 1 . . . A 20 HIS CB . 17594 1 201 . 1 1 20 20 HIS CD2 C 13 117.929 0.40 . 1 . . . A 20 HIS CD2 . 17594 1 202 . 1 1 20 20 HIS CE1 C 13 138.850 0.40 . 1 . . . A 20 HIS CE1 . 17594 1 203 . 1 1 20 20 HIS N N 15 121.433 0.40 . 1 . . . A 20 HIS N . 17594 1 204 . 1 1 21 21 VAL H H 1 7.716 0.04 . 1 . . . A 21 VAL H . 17594 1 205 . 1 1 21 21 VAL HA H 1 3.004 0.04 . 1 . . . A 21 VAL HA . 17594 1 206 . 1 1 21 21 VAL HB H 1 1.986 0.04 . 1 . . . A 21 VAL HB . 17594 1 207 . 1 1 21 21 VAL HG11 H 1 0.469 0.04 . 2 . . . A 21 VAL HG11 . 17594 1 208 . 1 1 21 21 VAL HG12 H 1 0.469 0.04 . 2 . . . A 21 VAL HG12 . 17594 1 209 . 1 1 21 21 VAL HG13 H 1 0.469 0.04 . 2 . . . A 21 VAL HG13 . 17594 1 210 . 1 1 21 21 VAL HG21 H 1 0.360 0.04 . 2 . . . A 21 VAL HG21 . 17594 1 211 . 1 1 21 21 VAL HG22 H 1 0.360 0.04 . 2 . . . A 21 VAL HG22 . 17594 1 212 . 1 1 21 21 VAL HG23 H 1 0.360 0.04 . 2 . . . A 21 VAL HG23 . 17594 1 213 . 1 1 21 21 VAL CA C 13 66.640 0.40 . 1 . . . A 21 VAL CA . 17594 1 214 . 1 1 21 21 VAL CB C 13 31.183 0.40 . 1 . . . A 21 VAL CB . 17594 1 215 . 1 1 21 21 VAL CG1 C 13 22.542 0.40 . 2 . . . A 21 VAL CG1 . 17594 1 216 . 1 1 21 21 VAL CG2 C 13 23.277 0.40 . 2 . . . A 21 VAL CG2 . 17594 1 217 . 1 1 21 21 VAL N N 15 118.624 0.40 . 1 . . . A 21 VAL N . 17594 1 218 . 1 1 22 22 GLU H H 1 8.585 0.04 . 1 . . . A 22 GLU H . 17594 1 219 . 1 1 22 22 GLU HA H 1 3.626 0.04 . 1 . . . A 22 GLU HA . 17594 1 220 . 1 1 22 22 GLU HB2 H 1 2.006 0.04 . 2 . . . A 22 GLU HB2 . 17594 1 221 . 1 1 22 22 GLU HB3 H 1 1.788 0.04 . 2 . . . A 22 GLU HB3 . 17594 1 222 . 1 1 22 22 GLU HG2 H 1 2.353 0.04 . 2 . . . A 22 GLU HG2 . 17594 1 223 . 1 1 22 22 GLU HG3 H 1 2.001 0.04 . 2 . . . A 22 GLU HG3 . 17594 1 224 . 1 1 22 22 GLU C C 13 178.718 0.40 . 1 . . . A 22 GLU C . 17594 1 225 . 1 1 22 22 GLU CA C 13 59.884 0.40 . 1 . . . A 22 GLU CA . 17594 1 226 . 1 1 22 22 GLU CB C 13 29.859 0.40 . 1 . . . A 22 GLU CB . 17594 1 227 . 1 1 22 22 GLU CG C 13 37.456 0.40 . 1 . . . A 22 GLU CG . 17594 1 228 . 1 1 22 22 GLU N N 15 116.998 0.40 . 1 . . . A 22 GLU N . 17594 1 229 . 1 1 23 23 GLN H H 1 7.515 0.04 . 1 . . . A 23 GLN H . 17594 1 230 . 1 1 23 23 GLN HA H 1 3.722 0.04 . 1 . . . A 23 GLN HA . 17594 1 231 . 1 1 23 23 GLN HB2 H 1 1.617 0.04 . 2 . . . A 23 GLN HB2 . 17594 1 232 . 1 1 23 23 GLN HB3 H 1 1.168 0.04 . 2 . . . A 23 GLN HB3 . 17594 1 233 . 1 1 23 23 GLN HG2 H 1 1.721 0.04 . 2 . . . A 23 GLN HG2 . 17594 1 234 . 1 1 23 23 GLN HG3 H 1 1.212 0.04 . 2 . . . A 23 GLN HG3 . 17594 1 235 . 1 1 23 23 GLN HE21 H 1 6.498 0.04 . 2 . . . A 23 GLN HE21 . 17594 1 236 . 1 1 23 23 GLN HE22 H 1 6.946 0.04 . 2 . . . A 23 GLN HE22 . 17594 1 237 . 1 1 23 23 GLN C C 13 177.763 0.40 . 1 . . . A 23 GLN C . 17594 1 238 . 1 1 23 23 GLN CA C 13 57.878 0.40 . 1 . . . A 23 GLN CA . 17594 1 239 . 1 1 23 23 GLN CB C 13 29.012 0.40 . 1 . . . A 23 GLN CB . 17594 1 240 . 1 1 23 23 GLN CG C 13 32.907 0.40 . 1 . . . A 23 GLN CG . 17594 1 241 . 1 1 23 23 GLN N N 15 115.542 0.40 . 1 . . . A 23 GLN N . 17594 1 242 . 1 1 23 23 GLN NE2 N 15 110.486 0.40 . 1 . . . A 23 GLN NE2 . 17594 1 243 . 1 1 24 24 TYR H H 1 7.797 0.04 . 1 . . . A 24 TYR H . 17594 1 244 . 1 1 24 24 TYR HA H 1 4.406 0.04 . 1 . . . A 24 TYR HA . 17594 1 245 . 1 1 24 24 TYR HB2 H 1 2.437 0.04 . 2 . . . A 24 TYR HB2 . 17594 1 246 . 1 1 24 24 TYR HB3 H 1 1.883 0.04 . 2 . . . A 24 TYR HB3 . 17594 1 247 . 1 1 24 24 TYR HD1 H 1 6.506 0.04 . 3 . . . A 24 TYR HD1 . 17594 1 248 . 1 1 24 24 TYR HD2 H 1 6.506 0.04 . 3 . . . A 24 TYR HD2 . 17594 1 249 . 1 1 24 24 TYR HE1 H 1 6.541 0.04 . 3 . . . A 24 TYR HE1 . 17594 1 250 . 1 1 24 24 TYR HE2 H 1 6.541 0.04 . 3 . . . A 24 TYR HE2 . 17594 1 251 . 1 1 24 24 TYR C C 13 176.897 0.40 . 1 . . . A 24 TYR C . 17594 1 252 . 1 1 24 24 TYR CA C 13 58.520 0.40 . 1 . . . A 24 TYR CA . 17594 1 253 . 1 1 24 24 TYR CB C 13 39.767 0.40 . 1 . . . A 24 TYR CB . 17594 1 254 . 1 1 24 24 TYR CD1 C 13 132.979 0.40 . 3 . . . A 24 TYR CD1 . 17594 1 255 . 1 1 24 24 TYR CD2 C 13 132.979 0.40 . 3 . . . A 24 TYR CD2 . 17594 1 256 . 1 1 24 24 TYR CE1 C 13 117.807 0.40 . 3 . . . A 24 TYR CE1 . 17594 1 257 . 1 1 24 24 TYR CE2 C 13 117.807 0.40 . 3 . . . A 24 TYR CE2 . 17594 1 258 . 1 1 24 24 TYR N N 15 112.086 0.40 . 1 . . . A 24 TYR N . 17594 1 259 . 1 1 25 25 LEU H H 1 8.611 0.04 . 1 . . . A 25 LEU H . 17594 1 260 . 1 1 25 25 LEU HA H 1 4.426 0.04 . 1 . . . A 25 LEU HA . 17594 1 261 . 1 1 25 25 LEU HB2 H 1 1.651 0.04 . 2 . . . A 25 LEU HB2 . 17594 1 262 . 1 1 25 25 LEU HB3 H 1 1.651 0.04 . 2 . . . A 25 LEU HB3 . 17594 1 263 . 1 1 25 25 LEU HG H 1 1.495 0.04 . 1 . . . A 25 LEU HG . 17594 1 264 . 1 1 25 25 LEU HD11 H 1 0.760 0.04 . 2 . . . A 25 LEU HD11 . 17594 1 265 . 1 1 25 25 LEU HD12 H 1 0.760 0.04 . 2 . . . A 25 LEU HD12 . 17594 1 266 . 1 1 25 25 LEU HD13 H 1 0.760 0.04 . 2 . . . A 25 LEU HD13 . 17594 1 267 . 1 1 25 25 LEU HD21 H 1 0.675 0.04 . 2 . . . A 25 LEU HD21 . 17594 1 268 . 1 1 25 25 LEU HD22 H 1 0.675 0.04 . 2 . . . A 25 LEU HD22 . 17594 1 269 . 1 1 25 25 LEU HD23 H 1 0.675 0.04 . 2 . . . A 25 LEU HD23 . 17594 1 270 . 1 1 25 25 LEU C C 13 178.206 0.40 . 1 . . . A 25 LEU C . 17594 1 271 . 1 1 25 25 LEU CA C 13 57.223 0.40 . 1 . . . A 25 LEU CA . 17594 1 272 . 1 1 25 25 LEU CB C 13 40.655 0.40 . 1 . . . A 25 LEU CB . 17594 1 273 . 1 1 25 25 LEU CG C 13 26.710 0.40 . 1 . . . A 25 LEU CG . 17594 1 274 . 1 1 25 25 LEU CD1 C 13 28.671 0.40 . 2 . . . A 25 LEU CD1 . 17594 1 275 . 1 1 25 25 LEU CD2 C 13 24.993 0.40 . 2 . . . A 25 LEU CD2 . 17594 1 276 . 1 1 25 25 LEU N N 15 124.285 0.40 . 1 . . . A 25 LEU N . 17594 1 277 . 1 1 26 26 GLY H H 1 8.927 0.04 . 1 . . . A 26 GLY H . 17594 1 278 . 1 1 26 26 GLY HA2 H 1 4.228 0.04 . 2 . . . A 26 GLY HA2 . 17594 1 279 . 1 1 26 26 GLY HA3 H 1 3.695 0.04 . 2 . . . A 26 GLY HA3 . 17594 1 280 . 1 1 26 26 GLY C C 13 174.078 0.40 . 1 . . . A 26 GLY C . 17594 1 281 . 1 1 26 26 GLY CA C 13 44.967 0.40 . 1 . . . A 26 GLY CA . 17594 1 282 . 1 1 26 26 GLY N N 15 112.197 0.40 . 1 . . . A 26 GLY N . 17594 1 283 . 1 1 27 27 THR H H 1 7.642 0.04 . 1 . . . A 27 THR H . 17594 1 284 . 1 1 27 27 THR HA H 1 4.679 0.04 . 1 . . . A 27 THR HA . 17594 1 285 . 1 1 27 27 THR HB H 1 4.515 0.04 . 1 . . . A 27 THR HB . 17594 1 286 . 1 1 27 27 THR HG21 H 1 1.091 0.04 . 1 . . . A 27 THR HG21 . 17594 1 287 . 1 1 27 27 THR HG22 H 1 1.091 0.04 . 1 . . . A 27 THR HG22 . 17594 1 288 . 1 1 27 27 THR HG23 H 1 1.091 0.04 . 1 . . . A 27 THR HG23 . 17594 1 289 . 1 1 27 27 THR C C 13 176.040 0.40 . 1 . . . A 27 THR C . 17594 1 290 . 1 1 27 27 THR CA C 13 60.635 0.40 . 1 . . . A 27 THR CA . 17594 1 291 . 1 1 27 27 THR CB C 13 72.509 0.40 . 1 . . . A 27 THR CB . 17594 1 292 . 1 1 27 27 THR CG2 C 13 20.935 0.40 . 1 . . . A 27 THR CG2 . 17594 1 293 . 1 1 27 27 THR N N 15 111.235 0.40 . 1 . . . A 27 THR N . 17594 1 294 . 1 1 28 28 ASP H H 1 8.746 0.04 . 1 . . . A 28 ASP H . 17594 1 295 . 1 1 28 28 ASP HA H 1 4.180 0.04 . 1 . . . A 28 ASP HA . 17594 1 296 . 1 1 28 28 ASP HB2 H 1 2.553 0.04 . 2 . . . A 28 ASP HB2 . 17594 1 297 . 1 1 28 28 ASP HB3 H 1 2.485 0.04 . 2 . . . A 28 ASP HB3 . 17594 1 298 . 1 1 28 28 ASP C C 13 177.080 0.40 . 1 . . . A 28 ASP C . 17594 1 299 . 1 1 28 28 ASP CA C 13 56.882 0.40 . 1 . . . A 28 ASP CA . 17594 1 300 . 1 1 28 28 ASP CB C 13 40.286 0.40 . 1 . . . A 28 ASP CB . 17594 1 301 . 1 1 28 28 ASP N N 15 119.211 0.40 . 1 . . . A 28 ASP N . 17594 1 302 . 1 1 29 29 GLU H H 1 7.549 0.04 . 1 . . . A 29 GLU H . 17594 1 303 . 1 1 29 29 GLU HA H 1 3.907 0.04 . 1 . . . A 29 GLU HA . 17594 1 304 . 1 1 29 29 GLU HB2 H 1 1.589 0.04 . 2 . . . A 29 GLU HB2 . 17594 1 305 . 1 1 29 29 GLU HB3 H 1 1.425 0.04 . 2 . . . A 29 GLU HB3 . 17594 1 306 . 1 1 29 29 GLU HG2 H 1 1.763 0.04 . 2 . . . A 29 GLU HG2 . 17594 1 307 . 1 1 29 29 GLU HG3 H 1 1.612 0.04 . 2 . . . A 29 GLU HG3 . 17594 1 308 . 1 1 29 29 GLU C C 13 176.859 0.40 . 1 . . . A 29 GLU C . 17594 1 309 . 1 1 29 29 GLU CA C 13 57.059 0.40 . 1 . . . A 29 GLU CA . 17594 1 310 . 1 1 29 29 GLU CB C 13 30.048 0.40 . 1 . . . A 29 GLU CB . 17594 1 311 . 1 1 29 29 GLU CG C 13 35.440 0.40 . 1 . . . A 29 GLU CG . 17594 1 312 . 1 1 29 29 GLU N N 15 116.206 0.40 . 1 . . . A 29 GLU N . 17594 1 313 . 1 1 30 30 LEU H H 1 6.896 0.04 . 1 . . . A 30 LEU H . 17594 1 314 . 1 1 30 30 LEU HA H 1 4.204 0.04 . 1 . . . A 30 LEU HA . 17594 1 315 . 1 1 30 30 LEU HB2 H 1 1.327 0.04 . 2 . . . A 30 LEU HB2 . 17594 1 316 . 1 1 30 30 LEU HB3 H 1 0.605 0.04 . 2 . . . A 30 LEU HB3 . 17594 1 317 . 1 1 30 30 LEU HG H 1 0.987 0.04 . 1 . . . A 30 LEU HG . 17594 1 318 . 1 1 30 30 LEU HD11 H 1 -0.144 0.04 . 2 . . . A 30 LEU HD11 . 17594 1 319 . 1 1 30 30 LEU HD12 H 1 -0.144 0.04 . 2 . . . A 30 LEU HD12 . 17594 1 320 . 1 1 30 30 LEU HD13 H 1 -0.144 0.04 . 2 . . . A 30 LEU HD13 . 17594 1 321 . 1 1 30 30 LEU HD21 H 1 -0.194 0.04 . 2 . . . A 30 LEU HD21 . 17594 1 322 . 1 1 30 30 LEU HD22 H 1 -0.194 0.04 . 2 . . . A 30 LEU HD22 . 17594 1 323 . 1 1 30 30 LEU HD23 H 1 -0.194 0.04 . 2 . . . A 30 LEU HD23 . 17594 1 324 . 1 1 30 30 LEU CA C 13 53.214 0.40 . 1 . . . A 30 LEU CA . 17594 1 325 . 1 1 30 30 LEU CB C 13 41.569 0.40 . 1 . . . A 30 LEU CB . 17594 1 326 . 1 1 30 30 LEU CG C 13 27.064 0.40 . 1 . . . A 30 LEU CG . 17594 1 327 . 1 1 30 30 LEU CD1 C 13 26.246 0.40 . 2 . . . A 30 LEU CD1 . 17594 1 328 . 1 1 30 30 LEU CD2 C 13 23.141 0.40 . 2 . . . A 30 LEU CD2 . 17594 1 329 . 1 1 30 30 LEU N N 15 117.943 0.40 . 1 . . . A 30 LEU N . 17594 1 330 . 1 1 31 31 PRO HA H 1 4.235 0.04 . 1 . . . A 31 PRO HA . 17594 1 331 . 1 1 31 31 PRO HB2 H 1 2.314 0.04 . 2 . . . A 31 PRO HB2 . 17594 1 332 . 1 1 31 31 PRO HB3 H 1 1.671 0.04 . 2 . . . A 31 PRO HB3 . 17594 1 333 . 1 1 31 31 PRO HG2 H 1 1.905 0.04 . 2 . . . A 31 PRO HG2 . 17594 1 334 . 1 1 31 31 PRO HG3 H 1 1.806 0.04 . 2 . . . A 31 PRO HG3 . 17594 1 335 . 1 1 31 31 PRO HD2 H 1 3.497 0.04 . 2 . . . A 31 PRO HD2 . 17594 1 336 . 1 1 31 31 PRO HD3 H 1 3.282 0.04 . 2 . . . A 31 PRO HD3 . 17594 1 337 . 1 1 31 31 PRO C C 13 177.690 0.40 . 1 . . . A 31 PRO C . 17594 1 338 . 1 1 31 31 PRO CA C 13 62.587 0.40 . 1 . . . A 31 PRO CA . 17594 1 339 . 1 1 31 31 PRO CB C 13 32.234 0.40 . 1 . . . A 31 PRO CB . 17594 1 340 . 1 1 31 31 PRO CG C 13 27.908 0.40 . 1 . . . A 31 PRO CG . 17594 1 341 . 1 1 31 31 PRO CD C 13 49.742 0.40 . 1 . . . A 31 PRO CD . 17594 1 342 . 1 1 32 32 LYS H H 1 9.005 0.04 . 1 . . . A 32 LYS H . 17594 1 343 . 1 1 32 32 LYS HA H 1 3.661 0.04 . 1 . . . A 32 LYS HA . 17594 1 344 . 1 1 32 32 LYS HB2 H 1 1.655 0.04 . 2 . . . A 32 LYS HB2 . 17594 1 345 . 1 1 32 32 LYS HB3 H 1 1.497 0.04 . 2 . . . A 32 LYS HB3 . 17594 1 346 . 1 1 32 32 LYS HG2 H 1 1.519 0.04 . 2 . . . A 32 LYS HG2 . 17594 1 347 . 1 1 32 32 LYS HG3 H 1 1.084 0.04 . 2 . . . A 32 LYS HG3 . 17594 1 348 . 1 1 32 32 LYS HD2 H 1 1.612 0.04 . 2 . . . A 32 LYS HD2 . 17594 1 349 . 1 1 32 32 LYS HD3 H 1 1.612 0.04 . 2 . . . A 32 LYS HD3 . 17594 1 350 . 1 1 32 32 LYS HE2 H 1 2.804 0.04 . 2 . . . A 32 LYS HE2 . 17594 1 351 . 1 1 32 32 LYS HE3 H 1 2.701 0.04 . 2 . . . A 32 LYS HE3 . 17594 1 352 . 1 1 32 32 LYS C C 13 178.650 0.40 . 1 . . . A 32 LYS C . 17594 1 353 . 1 1 32 32 LYS CA C 13 60.799 0.40 . 1 . . . A 32 LYS CA . 17594 1 354 . 1 1 32 32 LYS CB C 13 32.930 0.40 . 1 . . . A 32 LYS CB . 17594 1 355 . 1 1 32 32 LYS CG C 13 26.396 0.40 . 1 . . . A 32 LYS CG . 17594 1 356 . 1 1 32 32 LYS CD C 13 30.006 0.40 . 1 . . . A 32 LYS CD . 17594 1 357 . 1 1 32 32 LYS CE C 13 42.128 0.40 . 1 . . . A 32 LYS CE . 17594 1 358 . 1 1 32 32 LYS N N 15 122.003 0.40 . 1 . . . A 32 LYS N . 17594 1 359 . 1 1 33 33 ASN H H 1 9.009 0.04 . 1 . . . A 33 ASN H . 17594 1 360 . 1 1 33 33 ASN HA H 1 4.296 0.04 . 1 . . . A 33 ASN HA . 17594 1 361 . 1 1 33 33 ASN HB2 H 1 2.622 0.04 . 2 . . . A 33 ASN HB2 . 17594 1 362 . 1 1 33 33 ASN HB3 H 1 2.587 0.04 . 2 . . . A 33 ASN HB3 . 17594 1 363 . 1 1 33 33 ASN HD21 H 1 6.741 0.04 . 2 . . . A 33 ASN HD21 . 17594 1 364 . 1 1 33 33 ASN HD22 H 1 7.609 0.04 . 2 . . . A 33 ASN HD22 . 17594 1 365 . 1 1 33 33 ASN C C 13 177.166 0.40 . 1 . . . A 33 ASN C . 17594 1 366 . 1 1 33 33 ASN CA C 13 56.227 0.40 . 1 . . . A 33 ASN CA . 17594 1 367 . 1 1 33 33 ASN CB C 13 38.375 0.40 . 1 . . . A 33 ASN CB . 17594 1 368 . 1 1 33 33 ASN N N 15 112.554 0.40 . 1 . . . A 33 ASN N . 17594 1 369 . 1 1 33 33 ASN ND2 N 15 113.023 0.40 . 1 . . . A 33 ASN ND2 . 17594 1 370 . 1 1 34 34 ASP H H 1 7.336 0.04 . 1 . . . A 34 ASP H . 17594 1 371 . 1 1 34 34 ASP HA H 1 4.337 0.04 . 1 . . . A 34 ASP HA . 17594 1 372 . 1 1 34 34 ASP HB2 H 1 2.622 0.04 . 2 . . . A 34 ASP HB2 . 17594 1 373 . 1 1 34 34 ASP HB3 H 1 2.526 0.04 . 2 . . . A 34 ASP HB3 . 17594 1 374 . 1 1 34 34 ASP C C 13 178.735 0.40 . 1 . . . A 34 ASP C . 17594 1 375 . 1 1 34 34 ASP CA C 13 57.332 0.40 . 1 . . . A 34 ASP CA . 17594 1 376 . 1 1 34 34 ASP CB C 13 39.645 0.40 . 1 . . . A 34 ASP CB . 17594 1 377 . 1 1 34 34 ASP N N 15 119.628 0.40 . 1 . . . A 34 ASP N . 17594 1 378 . 1 1 35 35 LEU H H 1 6.746 0.04 . 1 . . . A 35 LEU H . 17594 1 379 . 1 1 35 35 LEU HA H 1 4.160 0.04 . 1 . . . A 35 LEU HA . 17594 1 380 . 1 1 35 35 LEU HB2 H 1 0.885 0.04 . 2 . . . A 35 LEU HB2 . 17594 1 381 . 1 1 35 35 LEU HB3 H 1 0.885 0.04 . 2 . . . A 35 LEU HB3 . 17594 1 382 . 1 1 35 35 LEU HG H 1 1.498 0.04 . 1 . . . A 35 LEU HG . 17594 1 383 . 1 1 35 35 LEU HD11 H 1 0.624 0.04 . 2 . . . A 35 LEU HD11 . 17594 1 384 . 1 1 35 35 LEU HD12 H 1 0.624 0.04 . 2 . . . A 35 LEU HD12 . 17594 1 385 . 1 1 35 35 LEU HD13 H 1 0.624 0.04 . 2 . . . A 35 LEU HD13 . 17594 1 386 . 1 1 35 35 LEU HD21 H 1 0.521 0.04 . 2 . . . A 35 LEU HD21 . 17594 1 387 . 1 1 35 35 LEU HD22 H 1 0.521 0.04 . 2 . . . A 35 LEU HD22 . 17594 1 388 . 1 1 35 35 LEU HD23 H 1 0.521 0.04 . 2 . . . A 35 LEU HD23 . 17594 1 389 . 1 1 35 35 LEU C C 13 177.967 0.40 . 1 . . . A 35 LEU C . 17594 1 390 . 1 1 35 35 LEU CA C 13 57.701 0.40 . 1 . . . A 35 LEU CA . 17594 1 391 . 1 1 35 35 LEU CB C 13 42.251 0.40 . 1 . . . A 35 LEU CB . 17594 1 392 . 1 1 35 35 LEU CG C 13 27.309 0.40 . 1 . . . A 35 LEU CG . 17594 1 393 . 1 1 35 35 LEU CD1 C 13 27.418 0.40 . 2 . . . A 35 LEU CD1 . 17594 1 394 . 1 1 35 35 LEU CD2 C 13 25.457 0.40 . 2 . . . A 35 LEU CD2 . 17594 1 395 . 1 1 35 35 LEU N N 15 121.739 0.40 . 1 . . . A 35 LEU N . 17594 1 396 . 1 1 36 36 ILE H H 1 8.091 0.04 . 1 . . . A 36 ILE H . 17594 1 397 . 1 1 36 36 ILE HA H 1 3.278 0.04 . 1 . . . A 36 ILE HA . 17594 1 398 . 1 1 36 36 ILE HB H 1 1.681 0.04 . 1 . . . A 36 ILE HB . 17594 1 399 . 1 1 36 36 ILE HG12 H 1 1.678 0.04 . 2 . . . A 36 ILE HG12 . 17594 1 400 . 1 1 36 36 ILE HG13 H 1 1.678 0.04 . 2 . . . A 36 ILE HG13 . 17594 1 401 . 1 1 36 36 ILE HG21 H 1 0.725 0.04 . 1 . . . A 36 ILE HG21 . 17594 1 402 . 1 1 36 36 ILE HG22 H 1 0.725 0.04 . 1 . . . A 36 ILE HG22 . 17594 1 403 . 1 1 36 36 ILE HG23 H 1 0.725 0.04 . 1 . . . A 36 ILE HG23 . 17594 1 404 . 1 1 36 36 ILE HD11 H 1 0.681 0.04 . 1 . . . A 36 ILE HD11 . 17594 1 405 . 1 1 36 36 ILE HD12 H 1 0.681 0.04 . 1 . . . A 36 ILE HD12 . 17594 1 406 . 1 1 36 36 ILE HD13 H 1 0.681 0.04 . 1 . . . A 36 ILE HD13 . 17594 1 407 . 1 1 36 36 ILE C C 13 177.319 0.40 . 1 . . . A 36 ILE C . 17594 1 408 . 1 1 36 36 ILE CA C 13 66.640 0.40 . 1 . . . A 36 ILE CA . 17594 1 409 . 1 1 36 36 ILE CB C 13 38.389 0.40 . 1 . . . A 36 ILE CB . 17594 1 410 . 1 1 36 36 ILE CG1 C 13 30.278 0.40 . 1 . . . A 36 ILE CG1 . 17594 1 411 . 1 1 36 36 ILE CG2 C 13 17.666 0.40 . 1 . . . A 36 ILE CG2 . 17594 1 412 . 1 1 36 36 ILE CD1 C 13 14.887 0.40 . 1 . . . A 36 ILE CD1 . 17594 1 413 . 1 1 36 36 ILE N N 15 118.743 0.40 . 1 . . . A 36 ILE N . 17594 1 414 . 1 1 37 37 THR H H 1 8.255 0.04 . 1 . . . A 37 THR H . 17594 1 415 . 1 1 37 37 THR HA H 1 3.996 0.04 . 1 . . . A 37 THR HA . 17594 1 416 . 1 1 37 37 THR HB H 1 4.139 0.04 . 1 . . . A 37 THR HB . 17594 1 417 . 1 1 37 37 THR HG21 H 1 1.196 0.04 . 1 . . . A 37 THR HG21 . 17594 1 418 . 1 1 37 37 THR HG22 H 1 1.196 0.04 . 1 . . . A 37 THR HG22 . 17594 1 419 . 1 1 37 37 THR HG23 H 1 1.196 0.04 . 1 . . . A 37 THR HG23 . 17594 1 420 . 1 1 37 37 THR C C 13 175.733 0.40 . 1 . . . A 37 THR C . 17594 1 421 . 1 1 37 37 THR CA C 13 66.558 0.40 . 1 . . . A 37 THR CA . 17594 1 422 . 1 1 37 37 THR CB C 13 68.769 0.40 . 1 . . . A 37 THR CB . 17594 1 423 . 1 1 37 37 THR CG2 C 13 21.752 0.40 . 1 . . . A 37 THR CG2 . 17594 1 424 . 1 1 37 37 THR N N 15 114.997 0.40 . 1 . . . A 37 THR N . 17594 1 425 . 1 1 38 38 TYR H H 1 7.643 0.04 . 1 . . . A 38 TYR H . 17594 1 426 . 1 1 38 38 TYR HA H 1 3.948 0.04 . 1 . . . A 38 TYR HA . 17594 1 427 . 1 1 38 38 TYR HB2 H 1 3.305 0.04 . 2 . . . A 38 TYR HB2 . 17594 1 428 . 1 1 38 38 TYR HB3 H 1 3.305 0.04 . 2 . . . A 38 TYR HB3 . 17594 1 429 . 1 1 38 38 TYR HD1 H 1 6.770 0.04 . 3 . . . A 38 TYR HD1 . 17594 1 430 . 1 1 38 38 TYR HD2 H 1 6.770 0.04 . 3 . . . A 38 TYR HD2 . 17594 1 431 . 1 1 38 38 TYR HE1 H 1 6.575 0.04 . 3 . . . A 38 TYR HE1 . 17594 1 432 . 1 1 38 38 TYR HE2 H 1 6.575 0.04 . 3 . . . A 38 TYR HE2 . 17594 1 433 . 1 1 38 38 TYR C C 13 178.752 0.40 . 1 . . . A 38 TYR C . 17594 1 434 . 1 1 38 38 TYR CA C 13 62.614 0.40 . 1 . . . A 38 TYR CA . 17594 1 435 . 1 1 38 38 TYR CB C 13 38.703 0.40 . 1 . . . A 38 TYR CB . 17594 1 436 . 1 1 38 38 TYR CD1 C 13 132.625 0.40 . 3 . . . A 38 TYR CD1 . 17594 1 437 . 1 1 38 38 TYR CD2 C 13 132.625 0.40 . 3 . . . A 38 TYR CD2 . 17594 1 438 . 1 1 38 38 TYR CE1 C 13 118.624 0.40 . 3 . . . A 38 TYR CE1 . 17594 1 439 . 1 1 38 38 TYR CE2 C 13 118.624 0.40 . 3 . . . A 38 TYR CE2 . 17594 1 440 . 1 1 38 38 TYR N N 15 120.803 0.40 . 1 . . . A 38 TYR N . 17594 1 441 . 1 1 39 39 LEU H H 1 8.163 0.04 . 1 . . . A 39 LEU H . 17594 1 442 . 1 1 39 39 LEU HA H 1 3.449 0.04 . 1 . . . A 39 LEU HA . 17594 1 443 . 1 1 39 39 LEU HB2 H 1 1.931 0.04 . 2 . . . A 39 LEU HB2 . 17594 1 444 . 1 1 39 39 LEU HB3 H 1 1.022 0.04 . 2 . . . A 39 LEU HB3 . 17594 1 445 . 1 1 39 39 LEU HD11 H 1 0.775 0.04 . 2 . . . A 39 LEU HD11 . 17594 1 446 . 1 1 39 39 LEU HD12 H 1 0.775 0.04 . 2 . . . A 39 LEU HD12 . 17594 1 447 . 1 1 39 39 LEU HD13 H 1 0.775 0.04 . 2 . . . A 39 LEU HD13 . 17594 1 448 . 1 1 39 39 LEU HD21 H 1 0.333 0.04 . 2 . . . A 39 LEU HD21 . 17594 1 449 . 1 1 39 39 LEU HD22 H 1 0.333 0.04 . 2 . . . A 39 LEU HD22 . 17594 1 450 . 1 1 39 39 LEU HD23 H 1 0.333 0.04 . 2 . . . A 39 LEU HD23 . 17594 1 451 . 1 1 39 39 LEU C C 13 178.172 0.40 . 1 . . . A 39 LEU C . 17594 1 452 . 1 1 39 39 LEU CA C 13 58.015 0.40 . 1 . . . A 39 LEU CA . 17594 1 453 . 1 1 39 39 LEU CB C 13 41.351 0.40 . 1 . . . A 39 LEU CB . 17594 1 454 . 1 1 39 39 LEU CD1 C 13 26.246 0.40 . 2 . . . A 39 LEU CD1 . 17594 1 455 . 1 1 39 39 LEU CD2 C 13 22.542 0.40 . 2 . . . A 39 LEU CD2 . 17594 1 456 . 1 1 39 39 LEU N N 15 119.424 0.40 . 1 . . . A 39 LEU N . 17594 1 457 . 1 1 40 40 GLN H H 1 8.608 0.04 . 1 . . . A 40 GLN H . 17594 1 458 . 1 1 40 40 GLN HA H 1 3.955 0.04 . 1 . . . A 40 GLN HA . 17594 1 459 . 1 1 40 40 GLN HB2 H 1 1.829 0.04 . 2 . . . A 40 GLN HB2 . 17594 1 460 . 1 1 40 40 GLN HB3 H 1 1.829 0.04 . 2 . . . A 40 GLN HB3 . 17594 1 461 . 1 1 40 40 GLN HG2 H 1 2.640 0.04 . 2 . . . A 40 GLN HG2 . 17594 1 462 . 1 1 40 40 GLN HG3 H 1 2.214 0.04 . 2 . . . A 40 GLN HG3 . 17594 1 463 . 1 1 40 40 GLN HE21 H 1 6.730 0.04 . 2 . . . A 40 GLN HE21 . 17594 1 464 . 1 1 40 40 GLN HE22 H 1 7.225 0.04 . 2 . . . A 40 GLN HE22 . 17594 1 465 . 1 1 40 40 GLN C C 13 178.087 0.40 . 1 . . . A 40 GLN C . 17594 1 466 . 1 1 40 40 GLN CA C 13 59.284 0.40 . 1 . . . A 40 GLN CA . 17594 1 467 . 1 1 40 40 GLN CB C 13 28.167 0.40 . 1 . . . A 40 GLN CB . 17594 1 468 . 1 1 40 40 GLN CG C 13 34.691 0.40 . 1 . . . A 40 GLN CG . 17594 1 469 . 1 1 40 40 GLN N N 15 116.368 0.40 . 1 . . . A 40 GLN N . 17594 1 470 . 1 1 40 40 GLN NE2 N 15 111.110 0.40 . 1 . . . A 40 GLN NE2 . 17594 1 471 . 1 1 41 41 LYS H H 1 7.745 0.04 . 1 . . . A 41 LYS H . 17594 1 472 . 1 1 41 41 LYS HA H 1 4.091 0.04 . 1 . . . A 41 LYS HA . 17594 1 473 . 1 1 41 41 LYS HB2 H 1 1.617 0.04 . 2 . . . A 41 LYS HB2 . 17594 1 474 . 1 1 41 41 LYS HB3 H 1 1.617 0.04 . 2 . . . A 41 LYS HB3 . 17594 1 475 . 1 1 41 41 LYS HG2 H 1 1.397 0.04 . 2 . . . A 41 LYS HG2 . 17594 1 476 . 1 1 41 41 LYS HG3 H 1 1.264 0.04 . 2 . . . A 41 LYS HG3 . 17594 1 477 . 1 1 41 41 LYS HD2 H 1 1.489 0.04 . 2 . . . A 41 LYS HD2 . 17594 1 478 . 1 1 41 41 LYS HD3 H 1 1.489 0.04 . 2 . . . A 41 LYS HD3 . 17594 1 479 . 1 1 41 41 LYS HE2 H 1 2.825 0.04 . 2 . . . A 41 LYS HE2 . 17594 1 480 . 1 1 41 41 LYS HE3 H 1 2.825 0.04 . 2 . . . A 41 LYS HE3 . 17594 1 481 . 1 1 41 41 LYS C C 13 177.524 0.40 . 1 . . . A 41 LYS C . 17594 1 482 . 1 1 41 41 LYS CA C 13 57.551 0.40 . 1 . . . A 41 LYS CA . 17594 1 483 . 1 1 41 41 LYS CB C 13 33.230 0.40 . 1 . . . A 41 LYS CB . 17594 1 484 . 1 1 41 41 LYS CG C 13 25.007 0.40 . 1 . . . A 41 LYS CG . 17594 1 485 . 1 1 41 41 LYS CD C 13 28.916 0.40 . 1 . . . A 41 LYS CD . 17594 1 486 . 1 1 41 41 LYS CE C 13 41.937 0.40 . 1 . . . A 41 LYS CE . 17594 1 487 . 1 1 41 41 LYS N N 15 115.406 0.40 . 1 . . . A 41 LYS N . 17594 1 488 . 1 1 42 42 ASN H H 1 7.093 0.04 . 1 . . . A 42 ASN H . 17594 1 489 . 1 1 42 42 ASN HA H 1 4.638 0.04 . 1 . . . A 42 ASN HA . 17594 1 490 . 1 1 42 42 ASN HB2 H 1 2.369 0.04 . 2 . . . A 42 ASN HB2 . 17594 1 491 . 1 1 42 42 ASN HB3 H 1 1.617 0.04 . 2 . . . A 42 ASN HB3 . 17594 1 492 . 1 1 42 42 ASN HD21 H 1 6.432 0.04 . 2 . . . A 42 ASN HD21 . 17594 1 493 . 1 1 42 42 ASN HD22 H 1 6.913 0.04 . 2 . . . A 42 ASN HD22 . 17594 1 494 . 1 1 42 42 ASN C C 13 173.805 0.40 . 1 . . . A 42 ASN C . 17594 1 495 . 1 1 42 42 ASN CA C 13 54.753 0.40 . 1 . . . A 42 ASN CA . 17594 1 496 . 1 1 42 42 ASN CB C 13 41.542 0.40 . 1 . . . A 42 ASN CB . 17594 1 497 . 1 1 42 42 ASN N N 15 113.618 0.40 . 1 . . . A 42 ASN N . 17594 1 498 . 1 1 42 42 ASN ND2 N 15 118.300 0.40 . 1 . . . A 42 ASN ND2 . 17594 1 499 . 1 1 43 43 ALA H H 1 8.173 0.04 . 1 . . . A 43 ALA H . 17594 1 500 . 1 1 43 43 ALA HA H 1 4.584 0.04 . 1 . . . A 43 ALA HA . 17594 1 501 . 1 1 43 43 ALA HB1 H 1 1.029 0.04 . 1 . . . A 43 ALA HB1 . 17594 1 502 . 1 1 43 43 ALA HB2 H 1 1.029 0.04 . 1 . . . A 43 ALA HB2 . 17594 1 503 . 1 1 43 43 ALA HB3 H 1 1.029 0.04 . 1 . . . A 43 ALA HB3 . 17594 1 504 . 1 1 43 43 ALA C C 13 175.698 0.40 . 1 . . . A 43 ALA C . 17594 1 505 . 1 1 43 43 ALA CA C 13 51.095 0.40 . 1 . . . A 43 ALA CA . 17594 1 506 . 1 1 43 43 ALA CB C 13 21.834 0.40 . 1 . . . A 43 ALA CB . 17594 1 507 . 1 1 43 43 ALA N N 15 123.067 0.40 . 1 . . . A 43 ALA N . 17594 1 508 . 1 1 44 44 ASP H H 1 8.144 0.04 . 1 . . . A 44 ASP H . 17594 1 509 . 1 1 44 44 ASP HA H 1 4.570 0.04 . 1 . . . A 44 ASP HA . 17594 1 510 . 1 1 44 44 ASP HB2 H 1 2.991 0.04 . 2 . . . A 44 ASP HB2 . 17594 1 511 . 1 1 44 44 ASP HB3 H 1 2.669 0.04 . 2 . . . A 44 ASP HB3 . 17594 1 512 . 1 1 44 44 ASP C C 13 175.954 0.40 . 1 . . . A 44 ASP C . 17594 1 513 . 1 1 44 44 ASP CA C 13 52.788 0.40 . 1 . . . A 44 ASP CA . 17594 1 514 . 1 1 44 44 ASP CB C 13 42.415 0.40 . 1 . . . A 44 ASP CB . 17594 1 515 . 1 1 44 44 ASP N N 15 117.619 0.40 . 1 . . . A 44 ASP N . 17594 1 516 . 1 1 45 45 ALA H H 1 8.438 0.04 . 1 . . . A 45 ALA H . 17594 1 517 . 1 1 45 45 ALA HA H 1 3.968 0.04 . 1 . . . A 45 ALA HA . 17594 1 518 . 1 1 45 45 ALA HB1 H 1 1.412 0.04 . 1 . . . A 45 ALA HB1 . 17594 1 519 . 1 1 45 45 ALA HB2 H 1 1.412 0.04 . 1 . . . A 45 ALA HB2 . 17594 1 520 . 1 1 45 45 ALA HB3 H 1 1.412 0.04 . 1 . . . A 45 ALA HB3 . 17594 1 521 . 1 1 45 45 ALA C C 13 180.168 0.40 . 1 . . . A 45 ALA C . 17594 1 522 . 1 1 45 45 ALA CA C 13 55.799 0.40 . 1 . . . A 45 ALA CA . 17594 1 523 . 1 1 45 45 ALA CB C 13 18.504 0.40 . 1 . . . A 45 ALA CB . 17594 1 524 . 1 1 45 45 ALA N N 15 121.671 0.40 . 1 . . . A 45 ALA N . 17594 1 525 . 1 1 46 46 ALA H H 1 8.331 0.04 . 1 . . . A 46 ALA H . 17594 1 526 . 1 1 46 46 ALA HA H 1 3.961 0.04 . 1 . . . A 46 ALA HA . 17594 1 527 . 1 1 46 46 ALA HB1 H 1 1.412 0.04 . 1 . . . A 46 ALA HB1 . 17594 1 528 . 1 1 46 46 ALA HB2 H 1 1.412 0.04 . 1 . . . A 46 ALA HB2 . 17594 1 529 . 1 1 46 46 ALA HB3 H 1 1.412 0.04 . 1 . . . A 46 ALA HB3 . 17594 1 530 . 1 1 46 46 ALA C C 13 180.526 0.40 . 1 . . . A 46 ALA C . 17594 1 531 . 1 1 46 46 ALA CA C 13 55.299 0.40 . 1 . . . A 46 ALA CA . 17594 1 532 . 1 1 46 46 ALA CB C 13 17.903 0.40 . 1 . . . A 46 ALA CB . 17594 1 533 . 1 1 46 46 ALA N N 15 120.241 0.40 . 1 . . . A 46 ALA N . 17594 1 534 . 1 1 47 47 PHE H H 1 8.123 0.04 . 1 . . . A 47 PHE H . 17594 1 535 . 1 1 47 47 PHE HA H 1 4.290 0.04 . 1 . . . A 47 PHE HA . 17594 1 536 . 1 1 47 47 PHE HB2 H 1 3.497 0.04 . 2 . . . A 47 PHE HB2 . 17594 1 537 . 1 1 47 47 PHE HB3 H 1 3.339 0.04 . 2 . . . A 47 PHE HB3 . 17594 1 538 . 1 1 47 47 PHE HD1 H 1 7.209 0.04 . 3 . . . A 47 PHE HD1 . 17594 1 539 . 1 1 47 47 PHE HD2 H 1 7.209 0.04 . 3 . . . A 47 PHE HD2 . 17594 1 540 . 1 1 47 47 PHE HE1 H 1 7.216 0.04 . 3 . . . A 47 PHE HE1 . 17594 1 541 . 1 1 47 47 PHE HE2 H 1 7.216 0.04 . 3 . . . A 47 PHE HE2 . 17594 1 542 . 1 1 47 47 PHE C C 13 177.558 0.40 . 1 . . . A 47 PHE C . 17594 1 543 . 1 1 47 47 PHE CA C 13 61.741 0.40 . 1 . . . A 47 PHE CA . 17594 1 544 . 1 1 47 47 PHE CB C 13 39.194 0.40 . 1 . . . A 47 PHE CB . 17594 1 545 . 1 1 47 47 PHE CD1 C 13 132.870 0.40 . 3 . . . A 47 PHE CD1 . 17594 1 546 . 1 1 47 47 PHE CD2 C 13 132.870 0.40 . 3 . . . A 47 PHE CD2 . 17594 1 547 . 1 1 47 47 PHE CE1 C 13 132.407 0.40 . 3 . . . A 47 PHE CE1 . 17594 1 548 . 1 1 47 47 PHE CE2 C 13 132.407 0.40 . 3 . . . A 47 PHE CE2 . 17594 1 549 . 1 1 47 47 PHE N N 15 122.948 0.40 . 1 . . . A 47 PHE N . 17594 1 550 . 1 1 48 48 LEU H H 1 8.280 0.04 . 1 . . . A 48 LEU H . 17594 1 551 . 1 1 48 48 LEU HA H 1 3.914 0.04 . 1 . . . A 48 LEU HA . 17594 1 552 . 1 1 48 48 LEU HB2 H 1 1.856 0.04 . 2 . . . A 48 LEU HB2 . 17594 1 553 . 1 1 48 48 LEU HB3 H 1 1.220 0.04 . 2 . . . A 48 LEU HB3 . 17594 1 554 . 1 1 48 48 LEU HD11 H 1 0.901 0.04 . 2 . . . A 48 LEU HD11 . 17594 1 555 . 1 1 48 48 LEU HD12 H 1 0.901 0.04 . 2 . . . A 48 LEU HD12 . 17594 1 556 . 1 1 48 48 LEU HD13 H 1 0.901 0.04 . 2 . . . A 48 LEU HD13 . 17594 1 557 . 1 1 48 48 LEU HD21 H 1 0.858 0.04 . 2 . . . A 48 LEU HD21 . 17594 1 558 . 1 1 48 48 LEU HD22 H 1 0.858 0.04 . 2 . . . A 48 LEU HD22 . 17594 1 559 . 1 1 48 48 LEU HD23 H 1 0.858 0.04 . 2 . . . A 48 LEU HD23 . 17594 1 560 . 1 1 48 48 LEU C C 13 179.435 0.40 . 1 . . . A 48 LEU C . 17594 1 561 . 1 1 48 48 LEU CA C 13 57.974 0.40 . 1 . . . A 48 LEU CA . 17594 1 562 . 1 1 48 48 LEU CB C 13 40.840 0.40 . 1 . . . A 48 LEU CB . 17594 1 563 . 1 1 48 48 LEU CD1 C 13 26.083 0.40 . 2 . . . A 48 LEU CD1 . 17594 1 564 . 1 1 48 48 LEU CD2 C 13 22.814 0.40 . 2 . . . A 48 LEU CD2 . 17594 1 565 . 1 1 48 48 LEU N N 15 118.692 0.40 . 1 . . . A 48 LEU N . 17594 1 566 . 1 1 49 49 ARG H H 1 8.229 0.04 . 1 . . . A 49 ARG H . 17594 1 567 . 1 1 49 49 ARG HA H 1 3.934 0.04 . 1 . . . A 49 ARG HA . 17594 1 568 . 1 1 49 49 ARG HB2 H 1 1.835 0.04 . 2 . . . A 49 ARG HB2 . 17594 1 569 . 1 1 49 49 ARG HB3 H 1 1.835 0.04 . 2 . . . A 49 ARG HB3 . 17594 1 570 . 1 1 49 49 ARG HG2 H 1 1.719 0.04 . 2 . . . A 49 ARG HG2 . 17594 1 571 . 1 1 49 49 ARG HG3 H 1 1.442 0.04 . 2 . . . A 49 ARG HG3 . 17594 1 572 . 1 1 49 49 ARG HD2 H 1 3.169 0.04 . 2 . . . A 49 ARG HD2 . 17594 1 573 . 1 1 49 49 ARG HD3 H 1 3.078 0.04 . 2 . . . A 49 ARG HD3 . 17594 1 574 . 1 1 49 49 ARG C C 13 180.015 0.40 . 1 . . . A 49 ARG C . 17594 1 575 . 1 1 49 49 ARG CA C 13 59.502 0.40 . 1 . . . A 49 ARG CA . 17594 1 576 . 1 1 49 49 ARG CB C 13 29.798 0.40 . 1 . . . A 49 ARG CB . 17594 1 577 . 1 1 49 49 ARG CG C 13 28.030 0.40 . 1 . . . A 49 ARG CG . 17594 1 578 . 1 1 49 49 ARG CD C 13 43.490 0.40 . 1 . . . A 49 ARG CD . 17594 1 579 . 1 1 49 49 ARG N N 15 117.807 0.40 . 1 . . . A 49 ARG N . 17594 1 580 . 1 1 50 50 HIS H H 1 8.101 0.04 . 1 . . . A 50 HIS H . 17594 1 581 . 1 1 50 50 HIS HA H 1 3.886 0.04 . 1 . . . A 50 HIS HA . 17594 1 582 . 1 1 50 50 HIS HB2 H 1 2.950 0.04 . 2 . . . A 50 HIS HB2 . 17594 1 583 . 1 1 50 50 HIS HB3 H 1 2.868 0.04 . 2 . . . A 50 HIS HB3 . 17594 1 584 . 1 1 50 50 HIS C C 13 176.944 0.40 . 1 . . . A 50 HIS C . 17594 1 585 . 1 1 50 50 HIS CA C 13 59.666 0.40 . 1 . . . A 50 HIS CA . 17594 1 586 . 1 1 50 50 HIS CB C 13 29.968 0.40 . 1 . . . A 50 HIS CB . 17594 1 587 . 1 1 50 50 HIS N N 15 121.126 0.40 . 1 . . . A 50 HIS N . 17594 1 588 . 1 1 51 51 TRP H H 1 7.653 0.04 . 1 . . . A 51 TRP H . 17594 1 589 . 1 1 51 51 TRP HA H 1 4.105 0.04 . 1 . . . A 51 TRP HA . 17594 1 590 . 1 1 51 51 TRP HB2 H 1 3.264 0.04 . 2 . . . A 51 TRP HB2 . 17594 1 591 . 1 1 51 51 TRP HB3 H 1 3.264 0.04 . 2 . . . A 51 TRP HB3 . 17594 1 592 . 1 1 51 51 TRP HD1 H 1 5.363 0.04 . 1 . . . A 51 TRP HD1 . 17594 1 593 . 1 1 51 51 TRP HE1 H 1 10.523 0.04 . 1 . . . A 51 TRP HE1 . 17594 1 594 . 1 1 51 51 TRP HE3 H 1 7.359 0.04 . 1 . . . A 51 TRP HE3 . 17594 1 595 . 1 1 51 51 TRP HZ2 H 1 7.250 0.04 . 1 . . . A 51 TRP HZ2 . 17594 1 596 . 1 1 51 51 TRP HZ3 H 1 7.055 0.04 . 1 . . . A 51 TRP HZ3 . 17594 1 597 . 1 1 51 51 TRP HH2 H 1 7.084 0.04 . 1 . . . A 51 TRP HH2 . 17594 1 598 . 1 1 51 51 TRP C C 13 173.481 0.40 . 1 . . . A 51 TRP C . 17594 1 599 . 1 1 51 51 TRP CA C 13 57.046 0.40 . 1 . . . A 51 TRP CA . 17594 1 600 . 1 1 51 51 TRP CB C 13 29.095 0.40 . 1 . . . A 51 TRP CB . 17594 1 601 . 1 1 51 51 TRP CD1 C 13 128.185 0.40 . 1 . . . A 51 TRP CD1 . 17594 1 602 . 1 1 51 51 TRP CE3 C 13 119.604 0.40 . 1 . . . A 51 TRP CE3 . 17594 1 603 . 1 1 51 51 TRP CZ2 C 13 114.701 0.40 . 1 . . . A 51 TRP CZ2 . 17594 1 604 . 1 1 51 51 TRP CZ3 C 13 122.138 0.40 . 1 . . . A 51 TRP CZ3 . 17594 1 605 . 1 1 51 51 TRP CH2 C 13 124.290 0.40 . 1 . . . A 51 TRP CH2 . 17594 1 606 . 1 1 51 51 TRP N N 15 114.844 0.40 . 1 . . . A 51 TRP N . 17594 1 607 . 1 1 51 51 TRP NE1 N 15 130.058 0.40 . 1 . . . A 51 TRP NE1 . 17594 1 608 . 1 1 52 52 LYS H H 1 7.511 0.04 . 1 . . . A 52 LYS H . 17594 1 609 . 1 1 52 52 LYS HA H 1 3.952 0.04 . 1 . . . A 52 LYS HA . 17594 1 610 . 1 1 52 52 LYS HB2 H 1 1.904 0.04 . 2 . . . A 52 LYS HB2 . 17594 1 611 . 1 1 52 52 LYS HB3 H 1 1.781 0.04 . 2 . . . A 52 LYS HB3 . 17594 1 612 . 1 1 52 52 LYS HG2 H 1 1.144 0.04 . 2 . . . A 52 LYS HG2 . 17594 1 613 . 1 1 52 52 LYS HG3 H 1 1.144 0.04 . 2 . . . A 52 LYS HG3 . 17594 1 614 . 1 1 52 52 LYS HE2 H 1 2.827 0.04 . 2 . . . A 52 LYS HE2 . 17594 1 615 . 1 1 52 52 LYS HE3 H 1 2.827 0.04 . 2 . . . A 52 LYS HE3 . 17594 1 616 . 1 1 52 52 LYS C C 13 176.108 0.40 . 1 . . . A 52 LYS C . 17594 1 617 . 1 1 52 52 LYS CA C 13 57.223 0.40 . 1 . . . A 52 LYS CA . 17594 1 618 . 1 1 52 52 LYS CB C 13 28.071 0.40 . 1 . . . A 52 LYS CB . 17594 1 619 . 1 1 52 52 LYS CG C 13 24.884 0.40 . 1 . . . A 52 LYS CG . 17594 1 620 . 1 1 52 52 LYS CE C 13 42.318 0.40 . 1 . . . A 52 LYS CE . 17594 1 621 . 1 1 52 52 LYS N N 15 115.576 0.40 . 1 . . . A 52 LYS N . 17594 1 622 . 1 1 53 53 LEU H H 1 8.737 0.04 . 1 . . . A 53 LEU H . 17594 1 623 . 1 1 53 53 LEU HA H 1 4.542 0.04 . 1 . . . A 53 LEU HA . 17594 1 624 . 1 1 53 53 LEU HB2 H 1 1.644 0.04 . 2 . . . A 53 LEU HB2 . 17594 1 625 . 1 1 53 53 LEU HB3 H 1 1.644 0.04 . 2 . . . A 53 LEU HB3 . 17594 1 626 . 1 1 53 53 LEU HG H 1 1.610 0.04 . 1 . . . A 53 LEU HG . 17594 1 627 . 1 1 53 53 LEU HD11 H 1 0.807 0.04 . 2 . . . A 53 LEU HD11 . 17594 1 628 . 1 1 53 53 LEU HD12 H 1 0.807 0.04 . 2 . . . A 53 LEU HD12 . 17594 1 629 . 1 1 53 53 LEU HD13 H 1 0.807 0.04 . 2 . . . A 53 LEU HD13 . 17594 1 630 . 1 1 53 53 LEU HD21 H 1 0.677 0.04 . 2 . . . A 53 LEU HD21 . 17594 1 631 . 1 1 53 53 LEU HD22 H 1 0.677 0.04 . 2 . . . A 53 LEU HD22 . 17594 1 632 . 1 1 53 53 LEU HD23 H 1 0.677 0.04 . 2 . . . A 53 LEU HD23 . 17594 1 633 . 1 1 53 53 LEU C C 13 175.801 0.40 . 1 . . . A 53 LEU C . 17594 1 634 . 1 1 53 53 LEU CA C 13 52.774 0.40 . 1 . . . A 53 LEU CA . 17594 1 635 . 1 1 53 53 LEU CB C 13 42.784 0.40 . 1 . . . A 53 LEU CB . 17594 1 636 . 1 1 53 53 LEU CG C 13 26.219 0.40 . 1 . . . A 53 LEU CG . 17594 1 637 . 1 1 53 53 LEU CD1 C 13 27.608 0.40 . 2 . . . A 53 LEU CD1 . 17594 1 638 . 1 1 53 53 LEU CD2 C 13 24.176 0.40 . 2 . . . A 53 LEU CD2 . 17594 1 639 . 1 1 53 53 LEU N N 15 118.190 0.40 . 1 . . . A 53 LEU N . 17594 1 640 . 1 1 54 54 THR H H 1 7.110 0.04 . 1 . . . A 54 THR H . 17594 1 641 . 1 1 54 54 THR HA H 1 4.372 0.04 . 1 . . . A 54 THR HA . 17594 1 642 . 1 1 54 54 THR HB H 1 4.160 0.04 . 1 . . . A 54 THR HB . 17594 1 643 . 1 1 54 54 THR HG21 H 1 0.984 0.04 . 1 . . . A 54 THR HG21 . 17594 1 644 . 1 1 54 54 THR HG22 H 1 0.984 0.04 . 1 . . . A 54 THR HG22 . 17594 1 645 . 1 1 54 54 THR HG23 H 1 0.984 0.04 . 1 . . . A 54 THR HG23 . 17594 1 646 . 1 1 54 54 THR C C 13 174.146 0.40 . 1 . . . A 54 THR C . 17594 1 647 . 1 1 54 54 THR CA C 13 60.772 0.40 . 1 . . . A 54 THR CA . 17594 1 648 . 1 1 54 54 THR CB C 13 69.970 0.40 . 1 . . . A 54 THR CB . 17594 1 649 . 1 1 54 54 THR CG2 C 13 21.806 0.40 . 1 . . . A 54 THR CG2 . 17594 1 650 . 1 1 54 54 THR N N 15 108.341 0.40 . 1 . . . A 54 THR N . 17594 1 651 . 1 1 55 55 GLY H H 1 8.299 0.04 . 1 . . . A 55 GLY H . 17594 1 652 . 1 1 55 55 GLY HA2 H 1 4.071 0.04 . 2 . . . A 55 GLY HA2 . 17594 1 653 . 1 1 55 55 GLY HA3 H 1 3.811 0.04 . 2 . . . A 55 GLY HA3 . 17594 1 654 . 1 1 55 55 GLY C C 13 173.583 0.40 . 1 . . . A 55 GLY C . 17594 1 655 . 1 1 55 55 GLY CA C 13 43.985 0.40 . 1 . . . A 55 GLY CA . 17594 1 656 . 1 1 55 55 GLY N N 15 109.311 0.40 . 1 . . . A 55 GLY N . 17594 1 657 . 1 1 56 56 THR H H 1 8.153 0.04 . 1 . . . A 56 THR H . 17594 1 658 . 1 1 56 56 THR HA H 1 4.222 0.04 . 1 . . . A 56 THR HA . 17594 1 659 . 1 1 56 56 THR HB H 1 4.480 0.04 . 1 . . . A 56 THR HB . 17594 1 660 . 1 1 56 56 THR HG21 H 1 1.240 0.04 . 1 . . . A 56 THR HG21 . 17594 1 661 . 1 1 56 56 THR HG22 H 1 1.240 0.04 . 1 . . . A 56 THR HG22 . 17594 1 662 . 1 1 56 56 THR HG23 H 1 1.240 0.04 . 1 . . . A 56 THR HG23 . 17594 1 663 . 1 1 56 56 THR CA C 13 61.195 0.40 . 1 . . . A 56 THR CA . 17594 1 664 . 1 1 56 56 THR CB C 13 70.257 0.40 . 1 . . . A 56 THR CB . 17594 1 665 . 1 1 56 56 THR CG2 C 13 21.861 0.40 . 1 . . . A 56 THR CG2 . 17594 1 666 . 1 1 56 56 THR N N 15 109.652 0.40 . 1 . . . A 56 THR N . 17594 1 667 . 1 1 57 57 ASN HA H 1 4.064 0.04 . 1 . . . A 57 ASN HA . 17594 1 668 . 1 1 57 57 ASN HB2 H 1 2.751 0.04 . 2 . . . A 57 ASN HB2 . 17594 1 669 . 1 1 57 57 ASN HB3 H 1 2.704 0.04 . 2 . . . A 57 ASN HB3 . 17594 1 670 . 1 1 57 57 ASN HD21 H 1 6.890 0.04 . 2 . . . A 57 ASN HD21 . 17594 1 671 . 1 1 57 57 ASN HD22 H 1 7.435 0.04 . 2 . . . A 57 ASN HD22 . 17594 1 672 . 1 1 57 57 ASN CA C 13 56.882 0.40 . 1 . . . A 57 ASN CA . 17594 1 673 . 1 1 57 57 ASN CB C 13 37.993 0.40 . 1 . . . A 57 ASN CB . 17594 1 674 . 1 1 57 57 ASN ND2 N 15 112.070 0.40 . 1 . . . A 57 ASN ND2 . 17594 1 675 . 1 1 58 58 LYS H H 1 8.315 0.04 . 1 . . . A 58 LYS H . 17594 1 676 . 1 1 58 58 LYS HA H 1 3.777 0.04 . 1 . . . A 58 LYS HA . 17594 1 677 . 1 1 58 58 LYS HB2 H 1 1.760 0.04 . 2 . . . A 58 LYS HB2 . 17594 1 678 . 1 1 58 58 LYS HB3 H 1 1.651 0.04 . 2 . . . A 58 LYS HB3 . 17594 1 679 . 1 1 58 58 LYS C C 13 178.377 0.40 . 1 . . . A 58 LYS C . 17594 1 680 . 1 1 58 58 LYS CA C 13 59.502 0.40 . 1 . . . A 58 LYS CA . 17594 1 681 . 1 1 58 58 LYS CB C 13 32.425 0.40 . 1 . . . A 58 LYS CB . 17594 1 682 . 1 1 58 58 LYS N N 15 118.130 0.40 . 1 . . . A 58 LYS N . 17594 1 683 . 1 1 59 59 SER H H 1 7.742 0.04 . 1 . . . A 59 SER H . 17594 1 684 . 1 1 59 59 SER HA H 1 4.071 0.04 . 1 . . . A 59 SER HA . 17594 1 685 . 1 1 59 59 SER HB2 H 1 3.852 0.04 . 2 . . . A 59 SER HB2 . 17594 1 686 . 1 1 59 59 SER HB3 H 1 3.811 0.04 . 2 . . . A 59 SER HB3 . 17594 1 687 . 1 1 59 59 SER C C 13 176.586 0.40 . 1 . . . A 59 SER C . 17594 1 688 . 1 1 59 59 SER CA C 13 60.922 0.40 . 1 . . . A 59 SER CA . 17594 1 689 . 1 1 59 59 SER CB C 13 62.942 0.40 . 1 . . . A 59 SER CB . 17594 1 690 . 1 1 59 59 SER N N 15 115.440 0.40 . 1 . . . A 59 SER N . 17594 1 691 . 1 1 60 60 ILE H H 1 8.052 0.04 . 1 . . . A 60 ILE H . 17594 1 692 . 1 1 60 60 ILE HA H 1 3.772 0.04 . 1 . . . A 60 ILE HA . 17594 1 693 . 1 1 60 60 ILE HB H 1 1.644 0.04 . 1 . . . A 60 ILE HB . 17594 1 694 . 1 1 60 60 ILE HG12 H 1 1.585 0.04 . 2 . . . A 60 ILE HG12 . 17594 1 695 . 1 1 60 60 ILE HG13 H 1 0.855 0.04 . 2 . . . A 60 ILE HG13 . 17594 1 696 . 1 1 60 60 ILE HG21 H 1 0.781 0.04 . 1 . . . A 60 ILE HG21 . 17594 1 697 . 1 1 60 60 ILE HG22 H 1 0.781 0.04 . 1 . . . A 60 ILE HG22 . 17594 1 698 . 1 1 60 60 ILE HG23 H 1 0.781 0.04 . 1 . . . A 60 ILE HG23 . 17594 1 699 . 1 1 60 60 ILE HD11 H 1 0.394 0.04 . 1 . . . A 60 ILE HD11 . 17594 1 700 . 1 1 60 60 ILE HD12 H 1 0.394 0.04 . 1 . . . A 60 ILE HD12 . 17594 1 701 . 1 1 60 60 ILE HD13 H 1 0.394 0.04 . 1 . . . A 60 ILE HD13 . 17594 1 702 . 1 1 60 60 ILE C C 13 177.567 0.40 . 1 . . . A 60 ILE C . 17594 1 703 . 1 1 60 60 ILE CA C 13 64.751 0.40 . 1 . . . A 60 ILE CA . 17594 1 704 . 1 1 60 60 ILE CB C 13 38.355 0.40 . 1 . . . A 60 ILE CB . 17594 1 705 . 1 1 60 60 ILE CG1 C 13 29.175 0.40 . 1 . . . A 60 ILE CG1 . 17594 1 706 . 1 1 60 60 ILE CG2 C 13 18.810 0.40 . 1 . . . A 60 ILE CG2 . 17594 1 707 . 1 1 60 60 ILE CD1 C 13 14.669 0.40 . 1 . . . A 60 ILE CD1 . 17594 1 708 . 1 1 60 60 ILE N N 15 123.459 0.40 . 1 . . . A 60 ILE N . 17594 1 709 . 1 1 61 61 ARG H H 1 8.151 0.04 . 1 . . . A 61 ARG H . 17594 1 710 . 1 1 61 61 ARG HA H 1 3.751 0.04 . 1 . . . A 61 ARG HA . 17594 1 711 . 1 1 61 61 ARG HB2 H 1 1.763 0.04 . 2 . . . A 61 ARG HB2 . 17594 1 712 . 1 1 61 61 ARG HB3 H 1 1.763 0.04 . 2 . . . A 61 ARG HB3 . 17594 1 713 . 1 1 61 61 ARG HG2 H 1 1.731 0.04 . 2 . . . A 61 ARG HG2 . 17594 1 714 . 1 1 61 61 ARG HG3 H 1 1.362 0.04 . 2 . . . A 61 ARG HG3 . 17594 1 715 . 1 1 61 61 ARG HD2 H 1 3.102 0.04 . 2 . . . A 61 ARG HD2 . 17594 1 716 . 1 1 61 61 ARG HD3 H 1 3.102 0.04 . 2 . . . A 61 ARG HD3 . 17594 1 717 . 1 1 61 61 ARG C C 13 177.336 0.40 . 1 . . . A 61 ARG C . 17594 1 718 . 1 1 61 61 ARG CA C 13 59.489 0.40 . 1 . . . A 61 ARG CA . 17594 1 719 . 1 1 61 61 ARG CB C 13 30.002 0.40 . 1 . . . A 61 ARG CB . 17594 1 720 . 1 1 61 61 ARG CG C 13 28.235 0.40 . 1 . . . A 61 ARG CG . 17594 1 721 . 1 1 61 61 ARG CD C 13 43.898 0.40 . 1 . . . A 61 ARG CD . 17594 1 722 . 1 1 61 61 ARG N N 15 116.845 0.40 . 1 . . . A 61 ARG N . 17594 1 723 . 1 1 62 62 LYS H H 1 7.322 0.04 . 1 . . . A 62 LYS H . 17594 1 724 . 1 1 62 62 LYS HA H 1 4.098 0.04 . 1 . . . A 62 LYS HA . 17594 1 725 . 1 1 62 62 LYS HB2 H 1 1.774 0.04 . 2 . . . A 62 LYS HB2 . 17594 1 726 . 1 1 62 62 LYS HB3 H 1 1.774 0.04 . 2 . . . A 62 LYS HB3 . 17594 1 727 . 1 1 62 62 LYS C C 13 177.592 0.40 . 1 . . . A 62 LYS C . 17594 1 728 . 1 1 62 62 LYS CA C 13 57.537 0.40 . 1 . . . A 62 LYS CA . 17594 1 729 . 1 1 62 62 LYS CB C 13 32.862 0.40 . 1 . . . A 62 LYS CB . 17594 1 730 . 1 1 62 62 LYS N N 15 116.070 0.40 . 1 . . . A 62 LYS N . 17594 1 731 . 1 1 63 63 ASN H H 1 7.837 0.04 . 1 . . . A 63 ASN H . 17594 1 732 . 1 1 63 63 ASN HA H 1 4.686 0.04 . 1 . . . A 63 ASN HA . 17594 1 733 . 1 1 63 63 ASN HB2 H 1 2.813 0.04 . 2 . . . A 63 ASN HB2 . 17594 1 734 . 1 1 63 63 ASN HB3 H 1 2.738 0.04 . 2 . . . A 63 ASN HB3 . 17594 1 735 . 1 1 63 63 ASN HD21 H 1 6.920 0.04 . 2 . . . A 63 ASN HD21 . 17594 1 736 . 1 1 63 63 ASN HD22 H 1 7.573 0.04 . 2 . . . A 63 ASN HD22 . 17594 1 737 . 1 1 63 63 ASN C C 13 175.101 0.40 . 1 . . . A 63 ASN C . 17594 1 738 . 1 1 63 63 ASN CA C 13 53.989 0.40 . 1 . . . A 63 ASN CA . 17594 1 739 . 1 1 63 63 ASN CB C 13 40.231 0.40 . 1 . . . A 63 ASN CB . 17594 1 740 . 1 1 63 63 ASN N N 15 115.627 0.40 . 1 . . . A 63 ASN N . 17594 1 741 . 1 1 63 63 ASN ND2 N 15 113.772 0.40 . 1 . . . A 63 ASN ND2 . 17594 1 742 . 1 1 64 64 ARG H H 1 8.001 0.04 . 1 . . . A 64 ARG H . 17594 1 743 . 1 1 64 64 ARG HA H 1 4.871 0.04 . 1 . . . A 64 ARG HA . 17594 1 744 . 1 1 64 64 ARG HB2 H 1 1.895 0.04 . 2 . . . A 64 ARG HB2 . 17594 1 745 . 1 1 64 64 ARG HB3 H 1 1.895 0.04 . 2 . . . A 64 ARG HB3 . 17594 1 746 . 1 1 64 64 ARG HD2 H 1 3.328 0.04 . 2 . . . A 64 ARG HD2 . 17594 1 747 . 1 1 64 64 ARG HD3 H 1 3.062 0.04 . 2 . . . A 64 ARG HD3 . 17594 1 748 . 1 1 64 64 ARG C C 13 175.046 0.40 . 1 . . . A 64 ARG C . 17594 1 749 . 1 1 64 64 ARG CA C 13 53.637 0.40 . 1 . . . A 64 ARG CA . 17594 1 750 . 1 1 64 64 ARG CB C 13 31.749 0.40 . 1 . . . A 64 ARG CB . 17594 1 751 . 1 1 64 64 ARG CD C 13 43.380 0.40 . 1 . . . A 64 ARG CD . 17594 1 752 . 1 1 64 64 ARG N N 15 119.833 0.40 . 1 . . . A 64 ARG N . 17594 1 753 . 1 1 65 65 ASN H H 1 8.537 0.04 . 1 . . . A 65 ASN H . 17594 1 754 . 1 1 65 65 ASN HA H 1 4.697 0.04 . 1 . . . A 65 ASN HA . 17594 1 755 . 1 1 65 65 ASN HB2 H 1 3.226 0.04 . 2 . . . A 65 ASN HB2 . 17594 1 756 . 1 1 65 65 ASN HB3 H 1 2.755 0.04 . 2 . . . A 65 ASN HB3 . 17594 1 757 . 1 1 65 65 ASN HD21 H 1 6.958 0.04 . 2 . . . A 65 ASN HD21 . 17594 1 758 . 1 1 65 65 ASN HD22 H 1 7.435 0.04 . 2 . . . A 65 ASN HD22 . 17594 1 759 . 1 1 65 65 ASN CA C 13 51.310 0.40 . 1 . . . A 65 ASN CA . 17594 1 760 . 1 1 65 65 ASN CB C 13 39.117 0.40 . 1 . . . A 65 ASN CB . 17594 1 761 . 1 1 65 65 ASN N N 15 120.471 0.40 . 1 . . . A 65 ASN N . 17594 1 762 . 1 1 65 65 ASN ND2 N 15 112.070 0.40 . 1 . . . A 65 ASN ND2 . 17594 1 763 . 1 1 66 66 CYS HA H 1 3.852 0.04 . 1 . . . A 66 CYS HA . 17594 1 764 . 1 1 66 66 CYS HB2 H 1 2.977 0.04 . 2 . . . A 66 CYS HB2 . 17594 1 765 . 1 1 66 66 CYS HB3 H 1 2.663 0.04 . 2 . . . A 66 CYS HB3 . 17594 1 766 . 1 1 66 66 CYS C C 13 176.023 0.40 . 1 . . . A 66 CYS C . 17594 1 767 . 1 1 66 66 CYS CA C 13 64.784 0.40 . 1 . . . A 66 CYS CA . 17594 1 768 . 1 1 66 66 CYS CB C 13 26.788 0.40 . 1 . . . A 66 CYS CB . 17594 1 769 . 1 1 67 67 SER H H 1 8.319 0.04 . 1 . . . A 67 SER H . 17594 1 770 . 1 1 67 67 SER HB2 H 1 3.999 0.04 . 2 . . . A 67 SER HB2 . 17594 1 771 . 1 1 67 67 SER HB3 H 1 3.852 0.04 . 2 . . . A 67 SER HB3 . 17594 1 772 . 1 1 67 67 SER C C 13 177.532 0.40 . 1 . . . A 67 SER C . 17594 1 773 . 1 1 67 67 SER CB C 13 62.148 0.40 . 1 . . . A 67 SER CB . 17594 1 774 . 1 1 67 67 SER N N 15 115.287 0.40 . 1 . . . A 67 SER N . 17594 1 775 . 1 1 68 68 GLN H H 1 8.233 0.04 . 1 . . . A 68 GLN H . 17594 1 776 . 1 1 68 68 GLN HA H 1 4.153 0.04 . 1 . . . A 68 GLN HA . 17594 1 777 . 1 1 68 68 GLN HB2 H 1 2.246 0.04 . 2 . . . A 68 GLN HB2 . 17594 1 778 . 1 1 68 68 GLN HB3 H 1 2.246 0.04 . 2 . . . A 68 GLN HB3 . 17594 1 779 . 1 1 68 68 GLN HG2 H 1 2.602 0.04 . 2 . . . A 68 GLN HG2 . 17594 1 780 . 1 1 68 68 GLN HG3 H 1 2.458 0.04 . 2 . . . A 68 GLN HG3 . 17594 1 781 . 1 1 68 68 GLN HE21 H 1 6.653 0.04 . 2 . . . A 68 GLN HE21 . 17594 1 782 . 1 1 68 68 GLN HE22 H 1 7.443 0.04 . 2 . . . A 68 GLN HE22 . 17594 1 783 . 1 1 68 68 GLN C C 13 178.701 0.40 . 1 . . . A 68 GLN C . 17594 1 784 . 1 1 68 68 GLN CA C 13 58.615 0.40 . 1 . . . A 68 GLN CA . 17594 1 785 . 1 1 68 68 GLN CB C 13 28.262 0.40 . 1 . . . A 68 GLN CB . 17594 1 786 . 1 1 68 68 GLN CG C 13 34.282 0.40 . 1 . . . A 68 GLN CG . 17594 1 787 . 1 1 68 68 GLN N N 15 123.110 0.40 . 1 . . . A 68 GLN N . 17594 1 788 . 1 1 68 68 GLN NE2 N 15 110.435 0.40 . 1 . . . A 68 GLN NE2 . 17594 1 789 . 1 1 69 69 LEU H H 1 7.721 0.04 . 1 . . . A 69 LEU H . 17594 1 790 . 1 1 69 69 LEU HA H 1 3.900 0.04 . 1 . . . A 69 LEU HA . 17594 1 791 . 1 1 69 69 LEU HB2 H 1 1.569 0.04 . 2 . . . A 69 LEU HB2 . 17594 1 792 . 1 1 69 69 LEU HB3 H 1 1.159 0.04 . 2 . . . A 69 LEU HB3 . 17594 1 793 . 1 1 69 69 LEU HD11 H 1 0.686 0.04 . 2 . . . A 69 LEU HD11 . 17594 1 794 . 1 1 69 69 LEU HD12 H 1 0.686 0.04 . 2 . . . A 69 LEU HD12 . 17594 1 795 . 1 1 69 69 LEU HD13 H 1 0.686 0.04 . 2 . . . A 69 LEU HD13 . 17594 1 796 . 1 1 69 69 LEU HD21 H 1 0.581 0.04 . 2 . . . A 69 LEU HD21 . 17594 1 797 . 1 1 69 69 LEU HD22 H 1 0.581 0.04 . 2 . . . A 69 LEU HD22 . 17594 1 798 . 1 1 69 69 LEU HD23 H 1 0.581 0.04 . 2 . . . A 69 LEU HD23 . 17594 1 799 . 1 1 69 69 LEU C C 13 178.535 0.40 . 1 . . . A 69 LEU C . 17594 1 800 . 1 1 69 69 LEU CA C 13 57.332 0.40 . 1 . . . A 69 LEU CA . 17594 1 801 . 1 1 69 69 LEU CB C 13 41.965 0.40 . 1 . . . A 69 LEU CB . 17594 1 802 . 1 1 69 69 LEU CD1 C 13 26.056 0.40 . 2 . . . A 69 LEU CD1 . 17594 1 803 . 1 1 69 69 LEU CD2 C 13 22.705 0.40 . 2 . . . A 69 LEU CD2 . 17594 1 804 . 1 1 69 69 LEU N N 15 119.645 0.40 . 1 . . . A 69 LEU N . 17594 1 805 . 1 1 70 70 ILE H H 1 8.458 0.04 . 1 . . . A 70 ILE H . 17594 1 806 . 1 1 70 70 ILE HA H 1 3.298 0.04 . 1 . . . A 70 ILE HA . 17594 1 807 . 1 1 70 70 ILE HB H 1 1.706 0.04 . 1 . . . A 70 ILE HB . 17594 1 808 . 1 1 70 70 ILE HG12 H 1 1.677 0.04 . 2 . . . A 70 ILE HG12 . 17594 1 809 . 1 1 70 70 ILE HG13 H 1 0.542 0.04 . 2 . . . A 70 ILE HG13 . 17594 1 810 . 1 1 70 70 ILE HG21 H 1 0.816 0.04 . 1 . . . A 70 ILE HG21 . 17594 1 811 . 1 1 70 70 ILE HG22 H 1 0.816 0.04 . 1 . . . A 70 ILE HG22 . 17594 1 812 . 1 1 70 70 ILE HG23 H 1 0.816 0.04 . 1 . . . A 70 ILE HG23 . 17594 1 813 . 1 1 70 70 ILE HD11 H 1 0.761 0.04 . 1 . . . A 70 ILE HD11 . 17594 1 814 . 1 1 70 70 ILE HD12 H 1 0.761 0.04 . 1 . . . A 70 ILE HD12 . 17594 1 815 . 1 1 70 70 ILE HD13 H 1 0.761 0.04 . 1 . . . A 70 ILE HD13 . 17594 1 816 . 1 1 70 70 ILE C C 13 177.336 0.40 . 1 . . . A 70 ILE C . 17594 1 817 . 1 1 70 70 ILE CA C 13 66.231 0.40 . 1 . . . A 70 ILE CA . 17594 1 818 . 1 1 70 70 ILE CB C 13 37.734 0.40 . 1 . . . A 70 ILE CB . 17594 1 819 . 1 1 70 70 ILE CG1 C 13 31.122 0.40 . 1 . . . A 70 ILE CG1 . 17594 1 820 . 1 1 70 70 ILE CG2 C 13 17.829 0.40 . 1 . . . A 70 ILE CG2 . 17594 1 821 . 1 1 70 70 ILE CD1 C 13 14.206 0.40 . 1 . . . A 70 ILE CD1 . 17594 1 822 . 1 1 70 70 ILE N N 15 120.437 0.40 . 1 . . . A 70 ILE N . 17594 1 823 . 1 1 71 71 ALA H H 1 7.632 0.04 . 1 . . . A 71 ALA H . 17594 1 824 . 1 1 71 71 ALA HA H 1 3.879 0.04 . 1 . . . A 71 ALA HA . 17594 1 825 . 1 1 71 71 ALA HB1 H 1 1.501 0.04 . 1 . . . A 71 ALA HB1 . 17594 1 826 . 1 1 71 71 ALA HB2 H 1 1.501 0.04 . 1 . . . A 71 ALA HB2 . 17594 1 827 . 1 1 71 71 ALA HB3 H 1 1.501 0.04 . 1 . . . A 71 ALA HB3 . 17594 1 828 . 1 1 71 71 ALA C C 13 180.151 0.40 . 1 . . . A 71 ALA C . 17594 1 829 . 1 1 71 71 ALA CA C 13 55.244 0.40 . 1 . . . A 71 ALA CA . 17594 1 830 . 1 1 71 71 ALA CB C 13 17.849 0.40 . 1 . . . A 71 ALA CB . 17594 1 831 . 1 1 71 71 ALA N N 15 121.825 0.40 . 1 . . . A 71 ALA N . 17594 1 832 . 1 1 72 72 ALA H H 1 7.266 0.04 . 1 . . . A 72 ALA H . 17594 1 833 . 1 1 72 72 ALA HA H 1 1.924 0.04 . 1 . . . A 72 ALA HA . 17594 1 834 . 1 1 72 72 ALA HB1 H 1 0.790 0.04 . 1 . . . A 72 ALA HB1 . 17594 1 835 . 1 1 72 72 ALA HB2 H 1 0.790 0.04 . 1 . . . A 72 ALA HB2 . 17594 1 836 . 1 1 72 72 ALA HB3 H 1 0.790 0.04 . 1 . . . A 72 ALA HB3 . 17594 1 837 . 1 1 72 72 ALA C C 13 178.786 0.40 . 1 . . . A 72 ALA C . 17594 1 838 . 1 1 72 72 ALA CA C 13 53.879 0.40 . 1 . . . A 72 ALA CA . 17594 1 839 . 1 1 72 72 ALA CB C 13 17.248 0.40 . 1 . . . A 72 ALA CB . 17594 1 840 . 1 1 72 72 ALA N N 15 121.620 0.40 . 1 . . . A 72 ALA N . 17594 1 841 . 1 1 73 73 TYR H H 1 8.393 0.04 . 1 . . . A 73 TYR H . 17594 1 842 . 1 1 73 73 TYR HA H 1 4.043 0.04 . 1 . . . A 73 TYR HA . 17594 1 843 . 1 1 73 73 TYR HB2 H 1 3.018 0.04 . 2 . . . A 73 TYR HB2 . 17594 1 844 . 1 1 73 73 TYR HB3 H 1 3.018 0.04 . 2 . . . A 73 TYR HB3 . 17594 1 845 . 1 1 73 73 TYR HD1 H 1 6.840 0.04 . 3 . . . A 73 TYR HD1 . 17594 1 846 . 1 1 73 73 TYR HD2 H 1 6.840 0.04 . 3 . . . A 73 TYR HD2 . 17594 1 847 . 1 1 73 73 TYR HE1 H 1 6.625 0.04 . 3 . . . A 73 TYR HE1 . 17594 1 848 . 1 1 73 73 TYR HE2 H 1 6.625 0.04 . 3 . . . A 73 TYR HE2 . 17594 1 849 . 1 1 73 73 TYR C C 13 177.677 0.40 . 1 . . . A 73 TYR C . 17594 1 850 . 1 1 73 73 TYR CA C 13 62.928 0.40 . 1 . . . A 73 TYR CA . 17594 1 851 . 1 1 73 73 TYR CB C 13 38.989 0.40 . 1 . . . A 73 TYR CB . 17594 1 852 . 1 1 73 73 TYR CD1 C 13 132.244 0.40 . 3 . . . A 73 TYR CD1 . 17594 1 853 . 1 1 73 73 TYR CD2 C 13 132.244 0.40 . 3 . . . A 73 TYR CD2 . 17594 1 854 . 1 1 73 73 TYR CE1 C 13 118.846 0.40 . 3 . . . A 73 TYR CE1 . 17594 1 855 . 1 1 73 73 TYR CE2 C 13 118.846 0.40 . 3 . . . A 73 TYR CE2 . 17594 1 856 . 1 1 73 73 TYR N N 15 119.594 0.40 . 1 . . . A 73 TYR N . 17594 1 857 . 1 1 74 74 LYS H H 1 8.848 0.04 . 1 . . . A 74 LYS H . 17594 1 858 . 1 1 74 74 LYS HA H 1 3.654 0.04 . 1 . . . A 74 LYS HA . 17594 1 859 . 1 1 74 74 LYS HB2 H 1 1.897 0.04 . 2 . . . A 74 LYS HB2 . 17594 1 860 . 1 1 74 74 LYS HB3 H 1 1.788 0.04 . 2 . . . A 74 LYS HB3 . 17594 1 861 . 1 1 74 74 LYS HG2 H 1 1.565 0.04 . 2 . . . A 74 LYS HG2 . 17594 1 862 . 1 1 74 74 LYS HG3 H 1 1.320 0.04 . 2 . . . A 74 LYS HG3 . 17594 1 863 . 1 1 74 74 LYS HE2 H 1 2.822 0.04 . 2 . . . A 74 LYS HE2 . 17594 1 864 . 1 1 74 74 LYS HE3 H 1 2.701 0.04 . 2 . . . A 74 LYS HE3 . 17594 1 865 . 1 1 74 74 LYS C C 13 178.462 0.40 . 1 . . . A 74 LYS C . 17594 1 866 . 1 1 74 74 LYS CA C 13 60.690 0.40 . 1 . . . A 74 LYS CA . 17594 1 867 . 1 1 74 74 LYS CB C 13 32.548 0.40 . 1 . . . A 74 LYS CB . 17594 1 868 . 1 1 74 74 LYS CG C 13 26.328 0.40 . 1 . . . A 74 LYS CG . 17594 1 869 . 1 1 74 74 LYS CE C 13 42.155 0.40 . 1 . . . A 74 LYS CE . 17594 1 870 . 1 1 74 74 LYS N N 15 119.432 0.40 . 1 . . . A 74 LYS N . 17594 1 871 . 1 1 75 75 ASP H H 1 7.609 0.04 . 1 . . . A 75 ASP H . 17594 1 872 . 1 1 75 75 ASP HA H 1 4.501 0.04 . 1 . . . A 75 ASP HA . 17594 1 873 . 1 1 75 75 ASP HB2 H 1 3.025 0.04 . 2 . . . A 75 ASP HB2 . 17594 1 874 . 1 1 75 75 ASP HB3 H 1 2.943 0.04 . 2 . . . A 75 ASP HB3 . 17594 1 875 . 1 1 75 75 ASP C C 13 178.569 0.40 . 1 . . . A 75 ASP C . 17594 1 876 . 1 1 75 75 ASP CA C 13 57.783 0.40 . 1 . . . A 75 ASP CA . 17594 1 877 . 1 1 75 75 ASP CB C 13 42.743 0.40 . 1 . . . A 75 ASP CB . 17594 1 878 . 1 1 75 75 ASP N N 15 118.658 0.40 . 1 . . . A 75 ASP N . 17594 1 879 . 1 1 76 76 PHE H H 1 8.659 0.04 . 1 . . . A 76 PHE H . 17594 1 880 . 1 1 76 76 PHE HA H 1 3.725 0.04 . 1 . . . A 76 PHE HA . 17594 1 881 . 1 1 76 76 PHE HB2 H 1 2.977 0.04 . 2 . . . A 76 PHE HB2 . 17594 1 882 . 1 1 76 76 PHE HB3 H 1 2.977 0.04 . 2 . . . A 76 PHE HB3 . 17594 1 883 . 1 1 76 76 PHE HD1 H 1 6.458 0.04 . 3 . . . A 76 PHE HD1 . 17594 1 884 . 1 1 76 76 PHE HD2 H 1 6.458 0.04 . 3 . . . A 76 PHE HD2 . 17594 1 885 . 1 1 76 76 PHE HE1 H 1 7.036 0.04 . 3 . . . A 76 PHE HE1 . 17594 1 886 . 1 1 76 76 PHE HE2 H 1 7.036 0.04 . 3 . . . A 76 PHE HE2 . 17594 1 887 . 1 1 76 76 PHE HZ H 1 6.881 0.04 . 3 . . . A 76 PHE HZ . 17594 1 888 . 1 1 76 76 PHE C C 13 178.010 0.40 . 1 . . . A 76 PHE C . 17594 1 889 . 1 1 76 76 PHE CA C 13 61.315 0.40 . 1 . . . A 76 PHE CA . 17594 1 890 . 1 1 76 76 PHE CB C 13 38.857 0.40 . 1 . . . A 76 PHE CB . 17594 1 891 . 1 1 76 76 PHE CD1 C 13 131.345 0.40 . 3 . . . A 76 PHE CD1 . 17594 1 892 . 1 1 76 76 PHE CD2 C 13 131.345 0.40 . 3 . . . A 76 PHE CD2 . 17594 1 893 . 1 1 76 76 PHE CE1 C 13 131.100 0.40 . 3 . . . A 76 PHE CE1 . 17594 1 894 . 1 1 76 76 PHE CE2 C 13 131.100 0.40 . 3 . . . A 76 PHE CE2 . 17594 1 895 . 1 1 76 76 PHE CZ C 13 129.465 0.40 . 1 . . . A 76 PHE CZ . 17594 1 896 . 1 1 76 76 PHE N N 15 120.539 0.40 . 1 . . . A 76 PHE N . 17594 1 897 . 1 1 77 77 CYS H H 1 8.053 0.04 . 1 . . . A 77 CYS H . 17594 1 898 . 1 1 77 77 CYS HA H 1 3.640 0.04 . 1 . . . A 77 CYS HA . 17594 1 899 . 1 1 77 77 CYS HB2 H 1 2.724 0.04 . 2 . . . A 77 CYS HB2 . 17594 1 900 . 1 1 77 77 CYS HB3 H 1 2.622 0.04 . 2 . . . A 77 CYS HB3 . 17594 1 901 . 1 1 77 77 CYS C C 13 176.347 0.40 . 1 . . . A 77 CYS C . 17594 1 902 . 1 1 77 77 CYS CA C 13 62.983 0.40 . 1 . . . A 77 CYS CA . 17594 1 903 . 1 1 77 77 CYS CB C 13 27.143 0.40 . 1 . . . A 77 CYS CB . 17594 1 904 . 1 1 77 77 CYS N N 15 116.419 0.40 . 1 . . . A 77 CYS N . 17594 1 905 . 1 1 78 78 GLU H H 1 7.814 0.04 . 1 . . . A 78 GLU H . 17594 1 906 . 1 1 78 78 GLU HA H 1 3.957 0.04 . 1 . . . A 78 GLU HA . 17594 1 907 . 1 1 78 78 GLU HB2 H 1 1.801 0.04 . 2 . . . A 78 GLU HB2 . 17594 1 908 . 1 1 78 78 GLU HB3 H 1 1.637 0.04 . 2 . . . A 78 GLU HB3 . 17594 1 909 . 1 1 78 78 GLU HG2 H 1 2.157 0.04 . 2 . . . A 78 GLU HG2 . 17594 1 910 . 1 1 78 78 GLU HG3 H 1 1.940 0.04 . 2 . . . A 78 GLU HG3 . 17594 1 911 . 1 1 78 78 GLU C C 13 177.422 0.40 . 1 . . . A 78 GLU C . 17594 1 912 . 1 1 78 78 GLU CA C 13 57.701 0.40 . 1 . . . A 78 GLU CA . 17594 1 913 . 1 1 78 78 GLU CB C 13 29.750 0.40 . 1 . . . A 78 GLU CB . 17594 1 914 . 1 1 78 78 GLU CG C 13 36.244 0.40 . 1 . . . A 78 GLU CG . 17594 1 915 . 1 1 78 78 GLU N N 15 117.773 0.40 . 1 . . . A 78 GLU N . 17594 1 916 . 1 1 79 79 HIS H H 1 7.909 0.04 . 1 . . . A 79 HIS H . 17594 1 917 . 1 1 79 79 HIS HA H 1 4.590 0.04 . 1 . . . A 79 HIS HA . 17594 1 918 . 1 1 79 79 HIS HB2 H 1 3.223 0.04 . 2 . . . A 79 HIS HB2 . 17594 1 919 . 1 1 79 79 HIS HB3 H 1 3.073 0.04 . 2 . . . A 79 HIS HB3 . 17594 1 920 . 1 1 79 79 HIS C C 13 175.733 0.40 . 1 . . . A 79 HIS C . 17594 1 921 . 1 1 79 79 HIS CA C 13 56.459 0.40 . 1 . . . A 79 HIS CA . 17594 1 922 . 1 1 79 79 HIS CB C 13 29.600 0.40 . 1 . . . A 79 HIS CB . 17594 1 923 . 1 1 79 79 HIS N N 15 115.747 0.40 . 1 . . . A 79 HIS N . 17594 1 924 . 1 1 80 80 GLY H H 1 8.060 0.04 . 1 . . . A 80 GLY H . 17594 1 925 . 1 1 80 80 GLY HA2 H 1 3.784 0.04 . 2 . . . A 80 GLY HA2 . 17594 1 926 . 1 1 80 80 GLY HA3 H 1 3.565 0.04 . 2 . . . A 80 GLY HA3 . 17594 1 927 . 1 1 80 80 GLY C C 13 174.300 0.40 . 1 . . . A 80 GLY C . 17594 1 928 . 1 1 80 80 GLY CA C 13 45.909 0.40 . 1 . . . A 80 GLY CA . 17594 1 929 . 1 1 80 80 GLY N N 15 109.277 0.40 . 1 . . . A 80 GLY N . 17594 1 930 . 1 1 81 81 THR H H 1 7.858 0.04 . 1 . . . A 81 THR H . 17594 1 931 . 1 1 81 81 THR HA H 1 4.180 0.04 . 1 . . . A 81 THR HA . 17594 1 932 . 1 1 81 81 THR HB H 1 4.112 0.04 . 1 . . . A 81 THR HB . 17594 1 933 . 1 1 81 81 THR HG21 H 1 1.063 0.04 . 1 . . . A 81 THR HG21 . 17594 1 934 . 1 1 81 81 THR HG22 H 1 1.063 0.04 . 1 . . . A 81 THR HG22 . 17594 1 935 . 1 1 81 81 THR HG23 H 1 1.063 0.04 . 1 . . . A 81 THR HG23 . 17594 1 936 . 1 1 81 81 THR C C 13 174.914 0.40 . 1 . . . A 81 THR C . 17594 1 937 . 1 1 81 81 THR CA C 13 62.177 0.40 . 1 . . . A 81 THR CA . 17594 1 938 . 1 1 81 81 THR CB C 13 69.656 0.40 . 1 . . . A 81 THR CB . 17594 1 939 . 1 1 81 81 THR CG2 C 13 21.670 0.40 . 1 . . . A 81 THR CG2 . 17594 1 940 . 1 1 81 81 THR N N 15 113.584 0.40 . 1 . . . A 81 THR N . 17594 1 941 . 1 1 82 82 LYS H H 1 8.304 0.04 . 1 . . . A 82 LYS H . 17594 1 942 . 1 1 82 82 LYS HA H 1 4.276 0.04 . 1 . . . A 82 LYS HA . 17594 1 943 . 1 1 82 82 LYS HB2 H 1 1.774 0.04 . 2 . . . A 82 LYS HB2 . 17594 1 944 . 1 1 82 82 LYS HB3 H 1 1.671 0.04 . 2 . . . A 82 LYS HB3 . 17594 1 945 . 1 1 82 82 LYS HG2 H 1 1.350 0.04 . 2 . . . A 82 LYS HG2 . 17594 1 946 . 1 1 82 82 LYS HG3 H 1 1.350 0.04 . 2 . . . A 82 LYS HG3 . 17594 1 947 . 1 1 82 82 LYS HE2 H 1 2.883 0.04 . 2 . . . A 82 LYS HE2 . 17594 1 948 . 1 1 82 82 LYS HE3 H 1 2.883 0.04 . 2 . . . A 82 LYS HE3 . 17594 1 949 . 1 1 82 82 LYS C C 13 176.807 0.40 . 1 . . . A 82 LYS C . 17594 1 950 . 1 1 82 82 LYS CA C 13 56.227 0.40 . 1 . . . A 82 LYS CA . 17594 1 951 . 1 1 82 82 LYS CB C 13 32.698 0.40 . 1 . . . A 82 LYS CB . 17594 1 952 . 1 1 82 82 LYS CG C 13 24.776 0.40 . 1 . . . A 82 LYS CG . 17594 1 953 . 1 1 82 82 LYS CE C 13 42.046 0.40 . 1 . . . A 82 LYS CE . 17594 1 954 . 1 1 82 82 LYS N N 15 123.391 0.40 . 1 . . . A 82 LYS N . 17594 1 955 . 1 1 83 83 SER H H 1 8.253 0.04 . 1 . . . A 83 SER H . 17594 1 956 . 1 1 83 83 SER HA H 1 4.269 0.04 . 1 . . . A 83 SER HA . 17594 1 957 . 1 1 83 83 SER HB2 H 1 3.743 0.04 . 2 . . . A 83 SER HB2 . 17594 1 958 . 1 1 83 83 SER HB3 H 1 3.743 0.04 . 2 . . . A 83 SER HB3 . 17594 1 959 . 1 1 83 83 SER C C 13 175.136 0.40 . 1 . . . A 83 SER C . 17594 1 960 . 1 1 83 83 SER CA C 13 58.670 0.40 . 1 . . . A 83 SER CA . 17594 1 961 . 1 1 83 83 SER CB C 13 63.774 0.40 . 1 . . . A 83 SER CB . 17594 1 962 . 1 1 83 83 SER N N 15 116.632 0.40 . 1 . . . A 83 SER N . 17594 1 963 . 1 1 84 84 GLY H H 1 8.305 0.04 . 1 . . . A 84 GLY H . 17594 1 964 . 1 1 84 84 GLY HA2 H 1 3.845 0.04 . 2 . . . A 84 GLY HA2 . 17594 1 965 . 1 1 84 84 GLY HA3 H 1 3.845 0.04 . 2 . . . A 84 GLY HA3 . 17594 1 966 . 1 1 84 84 GLY C C 13 174.163 0.40 . 1 . . . A 84 GLY C . 17594 1 967 . 1 1 84 84 GLY CA C 13 45.363 0.40 . 1 . . . A 84 GLY CA . 17594 1 968 . 1 1 84 84 GLY N N 15 110.588 0.40 . 1 . . . A 84 GLY N . 17594 1 969 . 1 1 85 85 LEU H H 1 7.957 0.04 . 1 . . . A 85 LEU H . 17594 1 970 . 1 1 85 85 LEU HA H 1 4.208 0.04 . 1 . . . A 85 LEU HA . 17594 1 971 . 1 1 85 85 LEU HB2 H 1 1.501 0.04 . 2 . . . A 85 LEU HB2 . 17594 1 972 . 1 1 85 85 LEU HB3 H 1 1.446 0.04 . 2 . . . A 85 LEU HB3 . 17594 1 973 . 1 1 85 85 LEU HG H 1 1.454 0.04 . 1 . . . A 85 LEU HG . 17594 1 974 . 1 1 85 85 LEU HD11 H 1 0.787 0.04 . 2 . . . A 85 LEU HD11 . 17594 1 975 . 1 1 85 85 LEU HD12 H 1 0.787 0.04 . 2 . . . A 85 LEU HD12 . 17594 1 976 . 1 1 85 85 LEU HD13 H 1 0.787 0.04 . 2 . . . A 85 LEU HD13 . 17594 1 977 . 1 1 85 85 LEU HD21 H 1 0.734 0.04 . 2 . . . A 85 LEU HD21 . 17594 1 978 . 1 1 85 85 LEU HD22 H 1 0.734 0.04 . 2 . . . A 85 LEU HD22 . 17594 1 979 . 1 1 85 85 LEU HD23 H 1 0.734 0.04 . 2 . . . A 85 LEU HD23 . 17594 1 980 . 1 1 85 85 LEU C C 13 177.217 0.40 . 1 . . . A 85 LEU C . 17594 1 981 . 1 1 85 85 LEU CA C 13 55.190 0.40 . 1 . . . A 85 LEU CA . 17594 1 982 . 1 1 85 85 LEU CB C 13 42.306 0.40 . 1 . . . A 85 LEU CB . 17594 1 983 . 1 1 85 85 LEU CG C 13 26.846 0.40 . 1 . . . A 85 LEU CG . 17594 1 984 . 1 1 85 85 LEU CD1 C 13 24.884 0.40 . 2 . . . A 85 LEU CD1 . 17594 1 985 . 1 1 85 85 LEU CD2 C 13 23.441 0.40 . 2 . . . A 85 LEU CD2 . 17594 1 986 . 1 1 85 85 LEU N N 15 120.752 0.40 . 1 . . . A 85 LEU N . 17594 1 987 . 1 1 86 86 ASN H H 1 8.388 0.04 . 1 . . . A 86 ASN H . 17594 1 988 . 1 1 86 86 ASN HA H 1 4.563 0.04 . 1 . . . A 86 ASN HA . 17594 1 989 . 1 1 86 86 ASN HB2 H 1 2.731 0.04 . 2 . . . A 86 ASN HB2 . 17594 1 990 . 1 1 86 86 ASN HB3 H 1 2.635 0.04 . 2 . . . A 86 ASN HB3 . 17594 1 991 . 1 1 86 86 ASN HD21 H 1 6.822 0.04 . 2 . . . A 86 ASN HD21 . 17594 1 992 . 1 1 86 86 ASN HD22 H 1 7.509 0.04 . 2 . . . A 86 ASN HD22 . 17594 1 993 . 1 1 86 86 ASN C C 13 174.982 0.40 . 1 . . . A 86 ASN C . 17594 1 994 . 1 1 86 86 ASN CA C 13 53.333 0.40 . 1 . . . A 86 ASN CA . 17594 1 995 . 1 1 86 86 ASN CB C 13 38.594 0.40 . 1 . . . A 86 ASN CB . 17594 1 996 . 1 1 86 86 ASN N N 15 118.981 0.40 . 1 . . . A 86 ASN N . 17594 1 997 . 1 1 86 86 ASN ND2 N 15 113.227 0.40 . 1 . . . A 86 ASN ND2 . 17594 1 998 . 1 1 87 87 GLN H H 1 8.248 0.04 . 1 . . . A 87 GLN H . 17594 1 999 . 1 1 87 87 GLN HA H 1 4.249 0.04 . 1 . . . A 87 GLN HA . 17594 1 1000 . 1 1 87 87 GLN HB2 H 1 2.054 0.04 . 2 . . . A 87 GLN HB2 . 17594 1 1001 . 1 1 87 87 GLN HB3 H 1 1.829 0.04 . 2 . . . A 87 GLN HB3 . 17594 1 1002 . 1 1 87 87 GLN HG2 H 1 2.217 0.04 . 2 . . . A 87 GLN HG2 . 17594 1 1003 . 1 1 87 87 GLN HG3 H 1 2.217 0.04 . 2 . . . A 87 GLN HG3 . 17594 1 1004 . 1 1 87 87 GLN HE21 H 1 6.756 0.04 . 2 . . . A 87 GLN HE21 . 17594 1 1005 . 1 1 87 87 GLN HE22 H 1 7.432 0.04 . 2 . . . A 87 GLN HE22 . 17594 1 1006 . 1 1 87 87 GLN C C 13 175.323 0.40 . 1 . . . A 87 GLN C . 17594 1 1007 . 1 1 87 87 GLN CA C 13 55.626 0.40 . 1 . . . A 87 GLN CA . 17594 1 1008 . 1 1 87 87 GLN CB C 13 29.695 0.40 . 1 . . . A 87 GLN CB . 17594 1 1009 . 1 1 87 87 GLN CG C 13 33.738 0.40 . 1 . . . A 87 GLN CG . 17594 1 1010 . 1 1 87 87 GLN N N 15 120.769 0.40 . 1 . . . A 87 GLN N . 17594 1 1011 . 1 1 87 87 GLN NE2 N 15 112.670 0.40 . 1 . . . A 87 GLN NE2 . 17594 1 1012 . 1 1 88 88 GLY H H 1 8.007 0.04 . 1 . . . A 88 GLY H . 17594 1 1013 . 1 1 88 88 GLY HA2 H 1 3.641 0.04 . 2 . . . A 88 GLY HA2 . 17594 1 1014 . 1 1 88 88 GLY HA3 H 1 3.641 0.04 . 2 . . . A 88 GLY HA3 . 17594 1 1015 . 1 1 88 88 GLY CA C 13 46.132 0.40 . 1 . . . A 88 GLY CA . 17594 1 1016 . 1 1 88 88 GLY N N 15 116.308 0.40 . 1 . . . A 88 GLY N . 17594 1 stop_ save_